A0A3Q0KUF1_SCHMA Loading...

Intraflagellar transport protein 122 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KUF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,194 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73.5Confident88.3Confident47 Ų4760.1 Ų60.123%0.23232%0.32CS..  01050175.9-176.9-117.900101.4L253 A262 L297 L299 L316 Y337M1-L253 HydrophobicContact CE-CD2 3.51Å; M1-L253 HydrophobicContact SD-CD2 4.21Å; M1-A262 HydrophobicContact SD-CB 3.49Å; M1-A262 WeakPolarHBondContact SD-CB 3.44Å; M1-L297 HydrophobicContact CE-CD2 4Å; M1-L297 HydrophobicContact CG-CD2 3.96Å; M1-L297 HydrophobicContact SD-CD2 3.76Å; M1-L299 HydrophobicContact CE-CD2 3.31Å; M1-L299 HydrophobicContact CG-CD2 4.42Å; M1-L316 HydrophobicContact CE-CD1 3.74Å; M1-Y337 HydrophobicContact CB-CE1 3.93Å; M1-Y337 HydrophobicContact CB-CE2 4.36Å; M1-Y337 HydrophobicContact CE-CE2 4.36Å
2D80Confident87.8Confident102 Ų10265.7 Ų65.755%0.54534%0.34SS..EExtended strand (participates in β ladder)trans-106143.5-164.1-62.66000106.5L298D2-L298 HydrophobicContact CB-CB 4.37Å; D2-L298 HydrophobicContact CB-CD1 4.39Å; D2-L298 WeakPolarHBondContact O-CB 3.19Å; D2-L298 PolarHBondContact O-N 3.47Å
3T86.7Confident87.1Confident66 Ų6661.6 Ų61.641%0.40532%0.324SS..EExtended strand (participates in β ladder)trans-120.2126.7-176.2520000108I264 V295 Q296 L297T3-I264 HydrophobicContact CG2-CG2 4.34Å; T3-V295 HydrophobicContact CG2-CG1 4.06Å; T3-Q296 CarbonylContact C-O 3.54Å; T3-Q296 WeakPolarHBondContact CA-O 3.36Å; T3-L297 HydrophobicContact CG2-CD2 3.84Å; T3-L297 HydrophobicContact CG2-CG 4.49Å
4A89.3Confident86Confident38 Ų3866.4 Ų66.431%0.31434%0.341SS..EExtended strand (participates in β ladder)trans-103.9126.117300000109V6 Q296 L298A4-V6 PolarHBondContact O-N 3.32Å; A4-Q296 PolarHBondContact N-O 3.27Å; A4-Q296 PolarHBondContact O-N 2.88Å; A4-L298 HydrophobicContact CB-CD1 4.2Å; A4-L298 HydrophobicContact CB-CG 4.42Å
5Q90.6Very high85.3Confident128 Ų12871.9 Ų71.960%0.59837%0.371SS*.EExtended strand (participates in β ladder)trans-70.1125170.4-174.9-173.8-35.300108.8S8 E293Q5-S8 VanDerWaalsContact NE2-CB 3.28Å; Q5-E293 HydrophobicContact CG-CG 4.49Å
6V90.9Very high84.6Confident51 Ų5170.2 Ų70.231%0.30938%0.377SS..EExtended strand (participates in β ladder)trans-85.7-52.7177.1-171.30000109.5A4 Q282 T294 Q296A4-V6 PolarHBondContact O-N 3.32Å; V6-Q282 HydrophobicContact CG2-CG 4.43Å; V6-T294 HydrophobicContact CB-CG2 4.19Å; V6-T294 HydrophobicContact CG2-CG2 4.13Å; V6-T294 PolarHBondContact N-O 2.91Å; V6-Q296 HydrophobicContact CG2-CB 3.76Å
7W94.1Very high84.3Confident21 Ų2171.4 Ų71.48%0.0839%0.386CS..EExtended strand (participates in β ladder)trans-160.5156.9174.948.6-105.7000110.5F9 L33 A46 V284 L292 T294W7-F9 HydrophobicContact CD2-CE1 4.39Å; W7-F9 AromaticContact CE3-CD1 3.84Å; W7-F9 HydrophobicContact CE3-CD1 3.84Å; W7-F9 AromaticContact CE3-CE1 3.53Å; W7-F9 HydrophobicContact CE3-CE1 3.53Å; W7-F9 HydrophobicContact CH2-CE1 4.27Å; W7-F9 HydrophobicContact CZ3-CD1 4.12Å; W7-F9 AromaticContact CZ3-CE1 3.48Å; W7-F9 HydrophobicContact CZ3-CE1 3.48Å; W7-F9 VanDerWaalsContact CZ3-CE1 3.48Å; W7-F9 HydrophobicContact CZ3-CZ 4.16Å; W7-L33 HydrophobicContact CH2-CD2 3.7Å; W7-L33 HydrophobicContact CZ2-CD2 4.24Å; W7-A46 PolarHBondContact NE1-O 3.49Å; W7-V284 HydrophobicContact CH2-CG2 4.03Å; W7-L292 HydrophobicContact CH2-CD2 3.94Å; W7-L292 HydrophobicContact CH2-CG 4.17Å; W7-L292 HydrophobicContact CZ3-CB 4.49Å; W7-L292 HydrophobicContact CZ3-CD2 3.9Å; W7-L292 HydrophobicContact CZ3-CG 3.91Å; W7-T294 VanDerWaalsContact CE2-OG1 3.3Å; W7-T294 WeakPolarHBondContact CH2-OG1 3.28Å; W7-T294 WeakPolarHBondContact CZ2-OG1 3.39Å; W7-T294 PolarHBondContact O-N 3.43Å
8S93Very high84.4Confident49 Ų4970.5 Ų70.534%0.34338%0.384SS..EExtended strand (participates in β ladder)trans-151.2133.4177.4-174.20000110.3Q5 L292 E293Q5-S8 VanDerWaalsContact NE2-CB 3.28Å; S8-L292 WeakPolarHBondContact CA-O 3.43Å; S8-E293 PolarHBondContact OG-OE2 3.33Å
9F92.8Very high84.6Confident57 Ų5769.5 Ų69.525%0.2538%0.378CS..EExtended strand (participates in β ladder)trans-155.4168.5175.460.4-93.6000111.8W7 V11 Y44 G49 L292W7-F9 HydrophobicContact CD2-CE1 4.39Å; W7-F9 AromaticContact CE3-CD1 3.84Å; W7-F9 HydrophobicContact CE3-CD1 3.84Å; W7-F9 AromaticContact CE3-CE1 3.53Å; W7-F9 HydrophobicContact CE3-CE1 3.53Å; W7-F9 HydrophobicContact CH2-CE1 4.27Å; W7-F9 HydrophobicContact CZ3-CD1 4.12Å; W7-F9 AromaticContact CZ3-CE1 3.48Å; W7-F9 HydrophobicContact CZ3-CE1 3.48Å; W7-F9 VanDerWaalsContact CZ3-CE1 3.48Å; W7-F9 HydrophobicContact CZ3-CZ 4.16Å; F9-V11 HydrophobicContact CE2-CG2 4.1Å; F9-Y44 HydrophobicContact CE2-CD1 4.26Å; F9-Y44 AromaticContact CE2-CE1 3.56Å; F9-Y44 HydrophobicContact CE2-CE1 3.56Å; F9-Y44 HydrophobicContact CE2-CE2 4.35Å; F9-Y44 AromaticContact CE2-CZ 3.63Å; F9-Y44 AromaticContact CZ-CD1 3.66Å; F9-Y44 HydrophobicContact CZ-CD1 3.66Å; F9-Y44 HydrophobicContact CZ-CD2 4.49Å; F9-Y44 AromaticContact CZ-CE1 3.44Å; F9-Y44 HydrophobicContact CZ-CE1 3.44Å; F9-Y44 VanDerWaalsContact CZ-CE1 3.44Å; F9-Y44 HydrophobicContact CZ-CE2 4.3Å; F9-Y44 HydrophobicContact CZ-CG 4.2Å; F9-Y44 AromaticContact CZ-CZ 3.8Å; F9-G49 VanDerWaalsContact CE1-O 3.32Å; F9-G49 WeakPolarHBondContact CE1-O 3.49Å; F9-L292 HydrophobicContact CE1-CD2 4.29Å; F9-L292 HydrophobicContact CE2-CB 4.3Å; F9-L292 HydrophobicContact CE2-CD2 4Å; F9-L292 HydrophobicContact CZ-CB 4.43Å; F9-L292 HydrophobicContact CZ-CD2 3.58Å; F9-L292 PolarHBondContact N-O 3.23Å; F9-L292 PolarHBondContact O-N 2.92Å
10K91.1Very high85.1Confident100 Ų10066.7 Ų66.744%0.43536%0.364SS..EExtended strand (participates in β ladder)trans-105.4127.9175.2-61.1-160.1-177-160.40112T18 D289 G290 T291K10-T18 HydrophobicContact CB-CG2 4.28Å; K10-T18 HydrophobicContact CD-CG2 4.36Å; K10-D289 IonicContact NZ-OD2 3.98Å; K10-D289 PolarHBondContact NZ-OD2 3.01Å; K10-G290 CarbonylContact C-O 3.55Å; K10-G290 WeakPolarHBondContact CA-O 3.39Å; K10-T291 WeakPolarHBondContact CE-OG1 3.27Å
11V89.4Confident85.5Confident2 Ų263.5 Ų63.51%0.01235%0.346CS..  trans-74.7122.6173.7-174.70000109F9 I21 W42 G290 L292F9-V11 HydrophobicContact CE2-CG2 4.1Å; V11-I21 HydrophobicContact CG2-CD1 4.21Å; V11-W42 HydrophobicContact CG1-CD2 4.11Å; V11-W42 HydrophobicContact CG1-CG 4.3Å; V11-W42 HydrophobicContact CG1-CZ2 4.22Å; V11-G290 PolarHBondContact N-O 3Å; V11-L292 HydrophobicContact CG2-CB 4.36Å
12K82.6Confident86.6Confident127 Ų12765.2 Ų65.255%0.55235%0.35SS*.BIsolated β-bridgetrans-110.7132.7177.2-65-176.9-179.4-176.80109.8T18 W42K12-T18 HydrophobicContact CG-CG2 4.11Å; K12-W42 WeakPolarHBondContact O-CH2 3.39Å; K12-W42 WeakPolarHBondContact O-CZ2 3.28Å
13G77.7Confident87.3Confident13 Ų1361.9 Ų61.913%0.13433%0.333CS..  trans-65.1176.6170.700000112D15 G16 V17G13-D15 PolarHBondContact O-N 2.84Å; G13-D15 VanDerWaalsContact O-N 3.16Å; G13-G16 PolarHBondContact O-N 3.14Å; G13-V17 PolarHBondContact N-O 3.35Å
14K71.6Confident87.7Confident129 Ų12959 Ų5956%0.56132%0.315SS*.THydrogen-bonded Turntrans-57.7-30.3177.9-70.6179.5-177.1164.80112.9G16 L40K14-G16 PolarHBondContact O-N 2.93Å; K14-L40 HydrophobicContact CG-CD1 4.24Å
15D75.6Confident88Confident148 Ų14858 Ų5879%0.79131%0.305SS*.THydrogen-bonded Turntrans-876.9-176-47.7-26.3000111.9G13 V17G13-D15 PolarHBondContact O-N 2.84Å; G13-D15 VanDerWaalsContact O-N 3.16Å; D15-V17 HydrophobicContact CB-CG2 4.48Å; D15-V17 PolarHBondContact O-N 3.27Å
16G74Confident88.2Confident45 Ų4552.5 Ų52.546%0.46428%0.279SS..SBendtrans76.8-8.7-176.500000114.5G13 K14G13-G16 PolarHBondContact O-N 3.14Å; K14-G16 PolarHBondContact O-N 2.93Å
17V80.7Confident88.3Confident90 Ų9050.1 Ų50.155%0.54526%0.264SS..PPolyproline II helixtrans-76.2136.1176.1-176.20000110.2G13 D15G13-V17 PolarHBondContact N-O 3.35Å; D15-V17 HydrophobicContact CB-CG2 4.48Å; D15-V17 PolarHBondContact O-N 3.27Å
18T85.2Confident88.1Confident56 Ų5650.9 Ų50.934%0.34427%0.272SS..BIsolated β-bridgetrans-74.3127.4174.648.40000110.3K10 K12 D289K10-T18 HydrophobicContact CB-CG2 4.28Å; K10-T18 HydrophobicContact CD-CG2 4.36Å; K12-T18 HydrophobicContact CG-CG2 4.11Å; T18-D289 VanDerWaalsContact CB-O 3.24Å; T18-D289 WeakPolarHBondContact CB-O 3.34Å
19N89.2Confident87.8Confident51 Ų5153 Ų5327%0.27328%0.28SS..PPolyproline II helixtrans-102.2150.8176.8-70.5-27.8000109.9S37 G290N19-S37 WeakPolarHBondContact CB-OG 3.29Å; N19-S37 PolarHBondContact O-OG 3.27Å; N19-G290 WeakPolarHBondContact O-CA 3.24Å; N19-G290 PolarHBondContact O-N 3.09Å
20C93Very high87.7Confident13 Ų1350.3 Ų50.39%0.08827%0.268CS..PPolyproline II helixtrans-56.6144.8171.4-176.20000110.8W22 S37 Q288C20-W22 HydrophobicContact CB-CZ2 4.19Å; C20-S37 WeakPolarHBondContact O-CA 3.38Å; C20-S37 PolarHBondContact O-OG 2.93Å; C20-Q288 WeakPolarHBondContact CA-O 3.4Å; C20-Q288 PolarHBondContact SG-OE1 3.22Å
21I95.4Very high87.7Confident0 Ų047.8 Ų47.80%026%0.263CS..EExtended strand (participates in β ladder)trans-96.8107.4168.8-62.3159.9000107.4V11 L24 V35 W272 C287 G290 T291 L292V11-I21 HydrophobicContact CG2-CD1 4.21Å; I21-L24 HydrophobicContact CG2-CD2 4.22Å; I21-V35 HydrophobicContact CB-CG1 4.47Å; I21-V35 HydrophobicContact CG1-CG1 4.11Å; I21-V35 HydrophobicContact CG2-CG1 3.58Å; I21-W272 WeakPolarHBondContact O-CB 3.49Å; I21-C287 PolarHBondContact N-O 3.19Å; I21-G290 WeakPolarHBondContact CD1-O 3.3Å; I21-T291 VanDerWaalsContact CD1-O 3.3Å; I21-T291 WeakPolarHBondContact CD1-O 3.42Å; I21-L292 HydrophobicContact CD1-CB 3.92Å; I21-L292 HydrophobicContact CD1-CD1 4.01Å
22W94.7Very high87.9Confident83 Ų8349.5 Ų49.531%0.31427%0.271SS..EExtended strand (participates in β ladder)trans-80.9-41.5-176.3-67.1111.2000112.2C20 A36 Y63 W272C20-W22 HydrophobicContact CB-CZ2 4.19Å; W22-A36 PolarHBondContact N-O 3.06Å; W22-A36 VanDerWaalsContact N-O 3.1Å; W22-Y63 WeakPolarHBondContact CB-O 3.41Å; W22-Y63 HydrophobicContact CD2-CD1 4.04Å; W22-Y63 HydrophobicContact CD2-CE1 4.26Å; W22-Y63 HydrophobicContact CG-CD1 4.01Å; W22-Y63 HydrophobicContact CZ2-CE1 4.36Å; W22-W272 HydrophobicContact CZ3-CD2 4.43Å; W22-W272 HydrophobicContact CZ3-CZ2 4.39Å
23D95.7Very high88.5Confident32 Ų3243.5 Ų43.517%0.17124%0.244CC..EExtended strand (participates in β ladder)trans-154.3157.5-175.9-16820.5000111.5A36 Y63 C64 V65D23-A36 HydrophobicContact CB-CB 4.31Å; D23-A36 PolarHBondContact O-N 2.85Å; D23-Y63 VanDerWaalsContact CB-O 3.24Å; D23-Y63 WeakPolarHBondContact CB-O 3.48Å; D23-C64 VanDerWaalsContact OD2-CA 3.27Å; D23-C64 WeakPolarHBondContact OD2-CA 3.48Å; D23-V65 HydrophobicContact CB-CG2 4.2Å; D23-V65 PolarHBondContact OD2-N 3.25Å
24L96Very high89.4Confident6 Ų642.9 Ų42.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-153.6144.3-177.448.878.3000111.4I21 L33 I34 C273 C275 V284 L292I21-L24 HydrophobicContact CG2-CD2 4.22Å; L24-L33 HydrophobicContact CB-CD1 4.42Å; L24-I34 WeakPolarHBondContact CA-O 3.23Å; L24-C273 HydrophobicContact CD2-CB 4.4Å; L24-C273 VanDerWaalsContact CD2-SG 3.5Å; L24-C273 HydrophobicContact CG-CB 4.01Å; L24-C273 VanDerWaalsContact CG-SG 3.56Å; L24-C275 HydrophobicContact CD1-CB 3.2Å; L24-V284 HydrophobicContact CD1-CG1 3.67Å; L24-V284 HydrophobicContact CD2-CG1 4.24Å; L24-L292 HydrophobicContact CD2-CD1 3.81Å
25C95.1Very high90.5Very high16 Ų1636.7 Ų36.711%0.10821%0.211CC..EExtended strand (participates in β ladder)trans-146.2143.317662.30000111.8I34C25-I34 PolarHBondContact N-O 3.4Å; C25-I34 PolarHBondContact O-N 3.13Å
26Y93.9Very high91.5Very high14 Ų1429.7 Ų29.76%0.05517%0.174CC..EExtended strand (participates in β ladder)trans-82150.6169.1-79.3-74.5000110.7Q32 L33 A46 C275 T276 R277 V284Y26-Q32 WeakPolarHBondContact CA-O 3.48Å; Y26-Q32 WeakPolarHBondContact CD1-O 3.12Å; Y26-L33 HydrophobicContact CD1-CB 4.12Å; Y26-L33 HydrophobicContact CD1-CD1 4.08Å; Y26-L33 HydrophobicContact CD2-CD1 4.28Å; Y26-L33 HydrophobicContact CE1-CB 3.9Å; Y26-L33 HydrophobicContact CE1-CD1 3.95Å; Y26-L33 HydrophobicContact CE1-CG 4.38Å; Y26-L33 HydrophobicContact CE2-CD1 4.18Å; Y26-L33 HydrophobicContact CG-CD1 4.24Å; Y26-A46 HydrophobicContact CD1-CB 4.19Å; Y26-A46 HydrophobicContact CE1-CB 3.71Å; Y26-C275 HydrophobicContact CD2-CB 4.39Å; Y26-T276 WeakPolarHBondContact CD2-O 3.33Å; Y26-R277 HydrophobicContact CD1-CB 4.47Å; Y26-R277 HydrophobicContact CD1-CG 4.09Å; Y26-R277 HydrophobicContact CD2-CB 4Å; Y26-R277 HydrophobicContact CD2-CG 4.45Å; Y26-R277 HydrophobicContact CE1-CB 4.25Å; Y26-R277 HydrophobicContact CE1-CG 4.03Å; Y26-R277 HydrophobicContact CE2-CB 3.73Å; Y26-R277 HydrophobicContact CE2-CG 4.37Å; Y26-R277 HydrophobicContact CG-CB 4.35Å; Y26-R277 HydrophobicContact CG-CG 4.31Å; Y26-V284 HydrophobicContact CD2-CG1 4.41Å; Y26-V284 HydrophobicContact CE2-CB 4.15Å; Y26-V284 HydrophobicContact CE2-CG1 3.54Å
27S93.1Very high92.4Very high0 Ų027.6 Ų27.60%015%0.152CC..  trans-62.2147.2159.457.10000110D29 G30 S31 Q32 Y67S27-D29 WeakPolarHBondContact CB-OD1 3.33Å; S27-D29 PolarHBondContact O-N 3.35Å; S27-D29 PolarHBondContact OG-OD1 3.42Å; S27-G30 WeakPolarHBondContact O-CA 3.24Å; S27-G30 PolarHBondContact O-N 3.16Å; S27-S31 PolarHBondContact OG-N 3.13Å; S27-S31 VanDerWaalsContact OG-N 3.15Å; S27-Q32 PolarHBondContact N-O 3.08Å; S27-Q32 PolarHBondContact OG-N 2.88Å; S27-Q32 PolarHBondContact OG-O 3.42Å; S27-Y67 VanDerWaalsContact CB-CE2 3.43Å
28P90Very high92.9Very high37 Ų3723.8 Ų23.824%0.2413%0.131CC..THydrogen-bonded Turntrans-57.5-32.3-179-23.227000114.4G30 Y67 A68 H69 S71P28-G30 PolarHBondContact O-N 2.89Å; P28-Y67 HydrophobicContact CG-CD1 4.36Å; P28-A68 WeakPolarHBondContact CG-O 3.3Å; P28-H69 WeakPolarHBondContact CB-O 3.23Å; P28-H69 WeakPolarHBondContact CG-O 3.45Å; P28-S71 WeakPolarHBondContact CB-OG 3.43Å; P28-S71 VanDerWaalsContact CD-OG 3.24Å; P28-S71 WeakPolarHBondContact CD-OG 3.41Å; P28-S71 VanDerWaalsContact CG-OG 3.31Å; P28-S71 WeakPolarHBondContact CG-OG 3.19Å
29D87.9Confident93.2Very high95 Ų9524.4 Ų24.451%0.50813%0.132SC..THydrogen-bonded Turntrans-73.8-7.617371.5-13.9000113.6S27 S31S27-D29 WeakPolarHBondContact CB-OD1 3.33Å; S27-D29 PolarHBondContact O-N 3.35Å; S27-D29 PolarHBondContact OG-OD1 3.42Å; D29-S31 VanDerWaalsContact C-N 3.26Å; D29-S31 PolarHBondContact O-N 2.7Å; D29-S31 PolarHBondContact OD1-N 3.06Å; D29-S31 PolarHBondContact OD1-OG 3.02Å; D29-S31 WeakPolarHBondContact OD2-CB 3.39Å; D29-S31 PolarHBondContact OD2-OG 3.35Å
30G89.4Confident93.4Very high0 Ų022.2 Ų22.20%012%0.12CC..SBendtrans7013.2-179.200000114.7S27 P28 A46 R277S27-G30 WeakPolarHBondContact O-CA 3.24Å; S27-G30 PolarHBondContact O-N 3.16Å; P28-G30 PolarHBondContact O-N 2.89Å; G30-A46 WeakPolarHBondContact O-CB 3.28Å; G30-R277 PolarHBondContact O-NE 2.82Å; G30-R277 PolarHBondContact O-NH2 3.39Å
31S91.3Very high93.5Very high46 Ų4621.6 Ų21.632%0.32212%0.116SC..SBendtrans-83.8-31.5-176.469.10000113.7S27 D29 A46S27-S31 PolarHBondContact OG-N 3.13Å; S27-S31 VanDerWaalsContact OG-N 3.15Å; D29-S31 VanDerWaalsContact C-N 3.26Å; D29-S31 PolarHBondContact O-N 2.7Å; D29-S31 PolarHBondContact OD1-N 3.06Å; D29-S31 PolarHBondContact OD1-OG 3.02Å; D29-S31 WeakPolarHBondContact OD2-CB 3.39Å; D29-S31 PolarHBondContact OD2-OG 3.35Å; S31-A46 WeakPolarHBondContact O-CB 3.35Å; S31-A46 PolarHBondContact O-N 3Å
32Q93.3Very high93.5Very high39 Ų3922.5 Ų22.518%0.18212%0.12CC..EExtended strand (participates in β ladder)trans-122.2147.6-175.3-60-177.915.900111.7Y26 S27 V43 Y44 I52Y26-Q32 WeakPolarHBondContact CA-O 3.48Å; Y26-Q32 WeakPolarHBondContact CD1-O 3.12Å; S27-Q32 PolarHBondContact N-O 3.08Å; S27-Q32 PolarHBondContact OG-N 2.88Å; S27-Q32 PolarHBondContact OG-O 3.42Å; Q32-V43 HydrophobicContact CB-CG1 4.43Å; Q32-Y44 CarbonylContact C-O 3.55Å; Q32-Y44 VanDerWaalsContact CA-O 3.31Å; Q32-Y44 WeakPolarHBondContact CA-O 3.28Å; Q32-I52 HydrophobicContact CG-CD1 4.1Å
33L95.5Very high93.6Very high0 Ų018.6 Ų18.60%011%0.105CC..EExtended strand (participates in β ladder)trans-118.6124.2171.4176.167.6000109.3W7 L24 Y26 V35 V43 Y44 V284 L292W7-L33 HydrophobicContact CH2-CD2 3.7Å; W7-L33 HydrophobicContact CZ2-CD2 4.24Å; L24-L33 HydrophobicContact CB-CD1 4.42Å; Y26-L33 HydrophobicContact CD1-CB 4.12Å; Y26-L33 HydrophobicContact CD1-CD1 4.08Å; Y26-L33 HydrophobicContact CD2-CD1 4.28Å; Y26-L33 HydrophobicContact CE1-CB 3.9Å; Y26-L33 HydrophobicContact CE1-CD1 3.95Å; Y26-L33 HydrophobicContact CE1-CG 4.38Å; Y26-L33 HydrophobicContact CE2-CD1 4.18Å; Y26-L33 HydrophobicContact CG-CD1 4.24Å; L33-V35 HydrophobicContact CD2-CG2 4.17Å; L33-V35 HydrophobicContact CG-CG2 3.98Å; L33-V43 WeakPolarHBondContact O-CA 3.18Å; L33-Y44 PolarHBondContact N-O 3.24Å; L33-Y44 PolarHBondContact O-N 2.84Å; L33-V284 HydrophobicContact CD1-CG1 3.96Å; L33-V284 HydrophobicContact CD2-CG1 4.48Å; L33-V284 HydrophobicContact CD2-CG2 3.9Å; L33-L292 HydrophobicContact CD2-CD1 4.43Å; L33-L292 HydrophobicContact CD2-CD2 3.79Å; L33-L292 HydrophobicContact CD2-CG 4.43Å
34I96.2Very high93.5Very high0 Ų017.7 Ų17.70%010%0.099CC..EExtended strand (participates in β ladder)trans-101.3135.4176.5-55.2-171.8000108.8L24 C25 V41 W42 V65 Y67 F74L24-I34 WeakPolarHBondContact CA-O 3.23Å; C25-I34 PolarHBondContact N-O 3.4Å; C25-I34 PolarHBondContact O-N 3.13Å; I34-V41 HydrophobicContact CG2-CG1 3.46Å; I34-V41 VanDerWaalsContact CG2-CG1 3.46Å; I34-W42 CarbonylContact C-O 3.59Å; I34-W42 WeakPolarHBondContact CA-O 3.37Å; I34-V65 HydrophobicContact CG2-CB 3.98Å; I34-V65 HydrophobicContact CG2-CG1 3.86Å; I34-V65 HydrophobicContact CG2-CG2 4.22Å; I34-Y67 HydrophobicContact CD1-CD2 3.42Å; I34-Y67 VanDerWaalsContact CD1-CD2 3.42Å; I34-Y67 HydrophobicContact CD1-CE2 3.41Å; I34-Y67 VanDerWaalsContact CD1-CE2 3.41Å; I34-Y67 HydrophobicContact CG1-CD2 4.12Å; I34-Y67 HydrophobicContact CG1-CE2 4.07Å; I34-F74 HydrophobicContact CD1-CB 3.66Å; I34-F74 HydrophobicContact CD1-CD1 3.57Å; I34-F74 HydrophobicContact CD1-CD2 3.36Å; I34-F74 HydrophobicContact CD1-CE1 3.97Å; I34-F74 HydrophobicContact CD1-CE2 3.76Å; I34-F74 HydrophobicContact CD1-CG 3.24Å; I34-F74 HydrophobicContact CD1-CZ 4.05Å; I34-F74 HydrophobicContact CG2-CD2 4.46Å; I34-F74 HydrophobicContact CG2-CE2 4.48Å
35V96.4Very high93.4Very high0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-132.8126.1-175.1-175.60000110.2I21 L33 W42 Y44 L292I21-V35 HydrophobicContact CB-CG1 4.47Å; I21-V35 HydrophobicContact CG1-CG1 4.11Å; I21-V35 HydrophobicContact CG2-CG1 3.58Å; L33-V35 HydrophobicContact CD2-CG2 4.17Å; L33-V35 HydrophobicContact CG-CG2 3.98Å; V35-W42 HydrophobicContact CB-CB 4.25Å; V35-W42 PolarHBondContact N-O 3.25Å; V35-W42 PolarHBondContact O-N 3.38Å; V35-Y44 HydrophobicContact CB-CE2 4.32Å; V35-Y44 HydrophobicContact CG2-CD2 3.86Å; V35-Y44 HydrophobicContact CG2-CE2 3.95Å; V35-L292 HydrophobicContact CG1-CD1 4.5Å; V35-L292 HydrophobicContact CG2-CD1 4.16Å; V35-L292 HydrophobicContact CG2-CD2 3.88Å
36A95.3Very high93.3Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-89.6110.8172.800000110.2W22 D23 V62 V65W22-A36 PolarHBondContact N-O 3.06Å; W22-A36 VanDerWaalsContact N-O 3.1Å; D23-A36 HydrophobicContact CB-CB 4.31Å; D23-A36 PolarHBondContact O-N 2.85Å; A36-V62 HydrophobicContact CB-CB 4.16Å; A36-V62 HydrophobicContact CB-CG1 3.81Å; A36-V65 HydrophobicContact CB-CG1 4.01Å; A36-V65 HydrophobicContact CB-CG2 4.25Å
37S93.7Very high93.1Very high2 Ų226.2 Ų26.21%0.01414%0.139CC..EExtended strand (participates in β ladder)trans-147.8121.2-179.8-174.80000112.4N19 C20 L40N19-S37 WeakPolarHBondContact CB-OG 3.29Å; N19-S37 PolarHBondContact O-OG 3.27Å; C20-S37 WeakPolarHBondContact O-CA 3.38Å; C20-S37 PolarHBondContact O-OG 2.93Å; S37-L40 PolarHBondContact N-O 3.45Å; S37-L40 PolarHBondContact O-N 3.34Å; S37-L40 VanDerWaalsContact O-O 3.11Å
38G91.3Very high92.9Very high9 Ų930.9 Ų30.99%0.09316%0.164CC..THydrogen-bonded Turntrans59.4-140.7-170.400000111L40 T61 V62G38-L40 VanDerWaalsContact C-N 3.3Å; G38-L40 PolarHBondContact O-N 3.07Å; G38-T61 CarbonylContact O-C 3.52Å; G38-T61 VanDerWaalsContact O-CA 3.31Å; G38-T61 WeakPolarHBondContact O-CA 3.38Å; G38-V62 PolarHBondContact O-N 3.48Å
39N91.9Very high92.9Very high69 Ų6929.4 Ų29.437%0.36916%0.156SC..THydrogen-bonded Turntrans-89.715.4177.763-9.8000114.4D60N39-D60 VanDerWaalsContact CA-O 3.31Å; N39-D60 WeakPolarHBondContact CA-O 3.48Å; N39-D60 WeakPolarHBondContact CB-O 3.35Å
40L93.2Very high93.2Very high6 Ų627 Ų273%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-122.6152-177.2-61.4174.3000110.9K14 S37 G38 W42 K56K14-L40 HydrophobicContact CG-CD1 4.24Å; S37-L40 PolarHBondContact N-O 3.45Å; S37-L40 PolarHBondContact O-N 3.34Å; S37-L40 VanDerWaalsContact O-O 3.11Å; G38-L40 VanDerWaalsContact C-N 3.3Å; G38-L40 PolarHBondContact O-N 3.07Å; L40-W42 HydrophobicContact CD1-CH2 4.49Å; L40-W42 HydrophobicContact CD1-CZ2 3.82Å; L40-K56 HydrophobicContact CD2-CG 3.89Å
41V95.1Very high93.3Very high0 Ų031.1 Ų31.10%017%0.168CC..EExtended strand (participates in β ladder)trans-105.3124.9167.2-177.80000107.9I34 L55 V62 V65 F74I34-V41 HydrophobicContact CG2-CG1 3.46Å; I34-V41 VanDerWaalsContact CG2-CG1 3.46Å; V41-L55 HydrophobicContact CB-CB 4.18Å; V41-L55 HydrophobicContact CB-CD1 4.27Å; V41-L55 HydrophobicContact CB-CG 4.48Å; V41-L55 HydrophobicContact CG1-CD1 4.19Å; V41-L55 PolarHBondContact N-O 3.13Å; V41-L55 PolarHBondContact O-N 2.78Å; V41-V62 HydrophobicContact CG2-CG1 4.12Å; V41-V62 HydrophobicContact CG2-CG2 4.23Å; V41-V65 HydrophobicContact CG1-CG1 4.21Å; V41-F74 HydrophobicContact CG1-CE2 4.33Å
42W95Very high93.4Very high19 Ų1932.2 Ų32.27%0.07217%0.169CC..EExtended strand (participates in β ladder)trans-104.6138.3-178.9-58.182.2000110V11 K12 I34 V35 L40 Y44 L51 N54V11-W42 HydrophobicContact CG1-CD2 4.11Å; V11-W42 HydrophobicContact CG1-CG 4.3Å; V11-W42 HydrophobicContact CG1-CZ2 4.22Å; K12-W42 WeakPolarHBondContact O-CH2 3.39Å; K12-W42 WeakPolarHBondContact O-CZ2 3.28Å; I34-W42 CarbonylContact C-O 3.59Å; I34-W42 WeakPolarHBondContact CA-O 3.37Å; V35-W42 HydrophobicContact CB-CB 4.25Å; V35-W42 PolarHBondContact N-O 3.25Å; V35-W42 PolarHBondContact O-N 3.38Å; L40-W42 HydrophobicContact CD1-CH2 4.49Å; L40-W42 HydrophobicContact CD1-CZ2 3.82Å; W42-Y44 HydrophobicContact CB-CD2 4.25Å; W42-Y44 HydrophobicContact CB-CE2 3.5Å; W42-Y44 HydrophobicContact CG-CE2 4.38Å; W42-L51 HydrophobicContact CE3-CD1 3.65Å; W42-L51 HydrophobicContact CE3-CD2 4.1Å; W42-L51 HydrophobicContact CZ3-CD1 4.27Å; W42-L51 HydrophobicContact CZ3-CD2 3.85Å; W42-N54 HydrophobicContact CD2-CB 4.12Å; W42-N54 HydrophobicContact CE3-CB 3.69Å; W42-N54 HydrophobicContact CH2-CB 4.32Å; W42-N54 HydrophobicContact CZ3-CB 3.8Å
43V95.8Very high93.4Very high0 Ų034.2 Ų34.20%018%0.178CC..EExtended strand (participates in β ladder)trans-121.1121.3179.2-169.90000108.8Q32 L33 I52 K53 L55 L91Q32-V43 HydrophobicContact CB-CG1 4.43Å; L33-V43 WeakPolarHBondContact O-CA 3.18Å; V43-I52 HydrophobicContact CG1-CB 4.44Å; V43-I52 HydrophobicContact CG1-CD1 4.15Å; V43-I52 WeakPolarHBondContact O-CA 3.13Å; V43-I52 WeakPolarHBondContact O-CB 3.18Å; V43-I52 PolarHBondContact O-N 2.72Å; V43-K53 PolarHBondContact N-O 3.26Å; V43-K53 PolarHBondContact O-N 3.46Å; V43-L55 HydrophobicContact CG2-CD1 3.89Å; V43-L55 HydrophobicContact CG2-CG 4.23Å; V43-L91 HydrophobicContact CB-CD1 4.44Å; V43-L91 HydrophobicContact CG1-CD1 4.34Å; V43-L91 HydrophobicContact CG1-CD2 4.31Å; V43-L91 HydrophobicContact CG2-CD2 4.24Å
44Y95.1Very high93.3Very high13 Ų1337 Ų375%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-118155.2-177.9-65-85000111.5F9 Q32 L33 V35 W42 G49 S50 L51 L292F9-Y44 HydrophobicContact CE2-CD1 4.26Å; F9-Y44 AromaticContact CE2-CE1 3.56Å; F9-Y44 HydrophobicContact CE2-CE1 3.56Å; F9-Y44 HydrophobicContact CE2-CE2 4.35Å; F9-Y44 AromaticContact CE2-CZ 3.63Å; F9-Y44 AromaticContact CZ-CD1 3.66Å; F9-Y44 HydrophobicContact CZ-CD1 3.66Å; F9-Y44 HydrophobicContact CZ-CD2 4.49Å; F9-Y44 AromaticContact CZ-CE1 3.44Å; F9-Y44 HydrophobicContact CZ-CE1 3.44Å; F9-Y44 VanDerWaalsContact CZ-CE1 3.44Å; F9-Y44 HydrophobicContact CZ-CE2 4.3Å; F9-Y44 HydrophobicContact CZ-CG 4.2Å; F9-Y44 AromaticContact CZ-CZ 3.8Å; Q32-Y44 CarbonylContact C-O 3.55Å; Q32-Y44 VanDerWaalsContact CA-O 3.31Å; Q32-Y44 WeakPolarHBondContact CA-O 3.28Å; L33-Y44 PolarHBondContact N-O 3.24Å; L33-Y44 PolarHBondContact O-N 2.84Å; V35-Y44 HydrophobicContact CB-CE2 4.32Å; V35-Y44 HydrophobicContact CG2-CD2 3.86Å; V35-Y44 HydrophobicContact CG2-CE2 3.95Å; W42-Y44 HydrophobicContact CB-CD2 4.25Å; W42-Y44 HydrophobicContact CB-CE2 3.5Å; W42-Y44 HydrophobicContact CG-CE2 4.38Å; Y44-G49 WeakPolarHBondContact CD1-O 3.28Å; Y44-S50 CarbonylContact C-O 3.6Å; Y44-S50 VanDerWaalsContact CA-O 3.3Å; Y44-S50 WeakPolarHBondContact CA-O 3.39Å; Y44-L51 HydrophobicContact CD1-CB 4.05Å; Y44-L51 HydrophobicContact CD1-CD1 4.06Å; Y44-L51 HydrophobicContact CE1-CB 3.82Å; Y44-L51 HydrophobicContact CE1-CD1 3.65Å; Y44-L51 HydrophobicContact CE1-CG 4.32Å; Y44-L51 HydrophobicContact CE2-CD1 4.49Å; Y44-L292 HydrophobicContact CD2-CD2 4.31Å; Y44-L292 HydrophobicContact CE2-CD2 4.29Å
45K93.9Very high93.1Very high112 Ų11237.2 Ų37.249%0.48719%0.194SC..EExtended strand (participates in β ladder)trans-76.5131.1164.2-70-172.8-179.2-179.40109.6D47 G49 S50 I52K45-D47 PolarHBondContact O-N 3.05Å; K45-G49 VanDerWaalsContact O-CA 3.31Å; K45-G49 WeakPolarHBondContact O-CA 3.41Å; K45-G49 PolarHBondContact O-N 2.9Å; K45-S50 PolarHBondContact N-O 3.46Å; K45-I52 HydrophobicContact CB-CD1 4.49Å; K45-I52 HydrophobicContact CG-CD1 3.61Å; K45-I52 HydrophobicContact CG-CG1 3.64Å
46A92.6Very high92.8Very high0 Ų044 Ų440%022%0.223CC..THydrogen-bonded Turntrans-66.4-35.1-176.100000113.7W7 Y26 G30 S31W7-A46 PolarHBondContact NE1-O 3.49Å; Y26-A46 HydrophobicContact CD1-CB 4.19Å; Y26-A46 HydrophobicContact CE1-CB 3.71Å; G30-A46 WeakPolarHBondContact O-CB 3.28Å; S31-A46 WeakPolarHBondContact O-CB 3.35Å; S31-A46 PolarHBondContact O-N 3Å
47D88.7Confident92.4Very high103 Ų10345.6 Ų45.655%0.55124%0.24SC*.THydrogen-bonded Turntrans-67.3-41.3-171.8-62.6-34000113.8K45 R277K45-D47 PolarHBondContact O-N 3.05Å; D47-R277 IonicContact OD1-CZ 3.56Å; D47-R277 VanDerWaalsContact OD1-CZ 3.31Å; D47-R277 IonicContact OD1-NH1 2.97Å; D47-R277 PolarHBondContact OD1-NH1 2.92Å; D47-R277 IonicContact OD1-NH2 3.07Å; D47-R277 PolarHBondContact OD1-NH2 3.16Å
48N90.2Very high92.4Very high98 Ų9846.2 Ų46.252%0.52424%0.242SC..THydrogen-bonded Turntrans-127.51.4-172.667.9-2.3000114S50N48-S50 PolarHBondContact ND2-OG 3.07Å; N48-S50 PolarHBondContact O-N 2.78Å; N48-S50 VanDerWaalsContact OD1-CB 3.29Å; N48-S50 WeakPolarHBondContact OD1-CB 3.42Å; N48-S50 PolarHBondContact OD1-N 2.73Å; N48-S50 PolarHBondContact OD1-OG 3.17Å
49G89.5Confident92.5Very high7 Ų754.3 Ų54.37%0.07228%0.275CS..  trans69.216.1-179.500000114.5F9 Y44 K45F9-G49 VanDerWaalsContact CE1-O 3.32Å; F9-G49 WeakPolarHBondContact CE1-O 3.49Å; Y44-G49 WeakPolarHBondContact CD1-O 3.28Å; K45-G49 VanDerWaalsContact O-CA 3.31Å; K45-G49 WeakPolarHBondContact O-CA 3.41Å; K45-G49 PolarHBondContact O-N 2.9Å
50S92.9Very high92.6Very high43 Ų4354.8 Ų54.830%0.30128%0.278SS..  trans-72.9138.8179.358.80000112.1Y44 K45 N48 I52Y44-S50 CarbonylContact C-O 3.6Å; Y44-S50 VanDerWaalsContact CA-O 3.3Å; Y44-S50 WeakPolarHBondContact CA-O 3.39Å; K45-S50 PolarHBondContact N-O 3.46Å; N48-S50 PolarHBondContact ND2-OG 3.07Å; N48-S50 PolarHBondContact O-N 2.78Å; N48-S50 VanDerWaalsContact OD1-CB 3.29Å; N48-S50 WeakPolarHBondContact OD1-CB 3.42Å; N48-S50 PolarHBondContact OD1-N 2.73Å; N48-S50 PolarHBondContact OD1-OG 3.17Å; S50-I52 PolarHBondContact O-N 2.75Å
51L93.1Very high92.6Very high88 Ų8856.1 Ų56.146%0.46129%0.286SS..EExtended strand (participates in β ladder)trans-71.1126.1179.5179.864.1000110.9W42 Y44W42-L51 HydrophobicContact CE3-CD1 3.65Å; W42-L51 HydrophobicContact CE3-CD2 4.1Å; W42-L51 HydrophobicContact CZ3-CD1 4.27Å; W42-L51 HydrophobicContact CZ3-CD2 3.85Å; Y44-L51 HydrophobicContact CD1-CB 4.05Å; Y44-L51 HydrophobicContact CD1-CD1 4.06Å; Y44-L51 HydrophobicContact CE1-CB 3.82Å; Y44-L51 HydrophobicContact CE1-CD1 3.65Å; Y44-L51 HydrophobicContact CE1-CG 4.32Å; Y44-L51 HydrophobicContact CE2-CD1 4.49Å
52I93.4Very high92.6Very high68 Ų6856.1 Ų56.135%0.34929%0.286SS..EExtended strand (participates in β ladder)trans-89.2-57.5173.2-58.1171.4000109.8Q32 V43 K45 S50 L91Q32-I52 HydrophobicContact CG-CD1 4.1Å; V43-I52 HydrophobicContact CG1-CB 4.44Å; V43-I52 HydrophobicContact CG1-CD1 4.15Å; V43-I52 WeakPolarHBondContact O-CA 3.13Å; V43-I52 WeakPolarHBondContact O-CB 3.18Å; V43-I52 PolarHBondContact O-N 2.72Å; K45-I52 HydrophobicContact CB-CD1 4.49Å; K45-I52 HydrophobicContact CG-CD1 3.61Å; K45-I52 HydrophobicContact CG-CG1 3.64Å; S50-I52 PolarHBondContact O-N 2.75Å; I52-L91 HydrophobicContact CG2-CD1 3.86Å
53K93.2Very high92.6Very high82 Ų8258.7 Ų58.736%0.35730%0.296SS..EExtended strand (participates in β ladder)trans-158.6151.1-174.6-157.3175.3-178.4-172.70111V43 L55 T90 L91V43-K53 PolarHBondContact N-O 3.26Å; V43-K53 PolarHBondContact O-N 3.46Å; K53-L55 HydrophobicContact CB-CD2 4.27Å; K53-L55 HydrophobicContact CD-CD2 3.75Å; K53-L55 HydrophobicContact CG-CD2 3.94Å; K53-T90 PolarHBondContact NZ-O 2.99Å; K53-L91 HydrophobicContact CB-CD1 3.75Å; K53-L91 HydrophobicContact CD-CB 3.69Å; K53-L91 HydrophobicContact CD-CD1 3.88Å; K53-L91 HydrophobicContact CD-CG 4.45Å; K53-L91 HydrophobicContact CG-CD1 4.49Å; K53-L91 PolarHBondContact NZ-O 2.94Å
54N91.8Very high92.6Very high58 Ų5858.8 Ų58.831%0.3130%0.297SS..EExtended strand (participates in β ladder)trans-111.8126.1165.756.511.7000110.4W42W42-N54 HydrophobicContact CD2-CB 4.12Å; W42-N54 HydrophobicContact CE3-CB 3.69Å; W42-N54 HydrophobicContact CH2-CB 4.32Å; W42-N54 HydrophobicContact CZ3-CB 3.8Å
55L93.5Very high92.7Very high5 Ų558.4 Ų58.43%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-97.3125.7-170.6-47176.8000109.7V41 V43 K53 F74 W86 L91V41-L55 HydrophobicContact CB-CB 4.18Å; V41-L55 HydrophobicContact CB-CD1 4.27Å; V41-L55 HydrophobicContact CB-CG 4.48Å; V41-L55 HydrophobicContact CG1-CD1 4.19Å; V41-L55 PolarHBondContact N-O 3.13Å; V41-L55 PolarHBondContact O-N 2.78Å; V43-L55 HydrophobicContact CG2-CD1 3.89Å; V43-L55 HydrophobicContact CG2-CG 4.23Å; K53-L55 HydrophobicContact CB-CD2 4.27Å; K53-L55 HydrophobicContact CD-CD2 3.75Å; K53-L55 HydrophobicContact CG-CD2 3.94Å; L55-F74 HydrophobicContact CD1-CE2 3.78Å; L55-F74 HydrophobicContact CD1-CZ 3.47Å; L55-F74 VanDerWaalsContact CD1-CZ 3.47Å; L55-W86 HydrophobicContact CB-CE3 4.24Å; L55-W86 HydrophobicContact CB-CH2 3.73Å; L55-W86 HydrophobicContact CB-CZ2 4.07Å; L55-W86 HydrophobicContact CB-CZ3 3.82Å; L55-W86 HydrophobicContact CD1-CD2 3.85Å; L55-W86 HydrophobicContact CD1-CE3 3.85Å; L55-W86 HydrophobicContact CD1-CG 4.26Å; L55-W86 HydrophobicContact CD1-CZ3 4.3Å; L55-W86 HydrophobicContact CG-CE3 4.44Å; L55-W86 HydrophobicContact CG-CZ3 4.44Å; L55-L91 HydrophobicContact CD2-CB 3.89Å; L55-L91 WeakPolarHBondContact CD2-O 3.34Å
56K89.9Confident92.8Very high141 Ų14153.4 Ų53.461%0.61328%0.275SS*.  trans-102.2124.6178.4-60.5175.4-172.3173.50107.9L40L40-K56 HydrophobicContact CD2-CG 3.89Å
57G86.6Confident92.9Very high35 Ų3554.6 Ų54.636%0.36128%0.28SS..  trans-173.4-35.7178.900000114.1
58H93.2Very high93.1Very high14 Ų1449.7 Ų49.77%0.06525%0.254CS..  trans-82.8146.6175.5-70.2-69.4000112.3V62 S76 S78 D80 C82H58-V62 HydrophobicContact CB-CG2 3.95Å; H58-S76 PolarHBondContact NE2-O 3.4Å; H58-S76 PolarHBondContact NE2-OG 2.98Å; H58-S78 WeakPolarHBondContact ND1-CB 3.42Å; H58-D80 VanDerWaalsContact CA-OD2 3.31Å; H58-D80 WeakPolarHBondContact CA-OD2 3.12Å; H58-D80 IonicContact CE1-OD1 3.88Å; H58-D80 IonicContact CG-OD2 3.74Å; H58-D80 IonicContact ND1-OD1 3.3Å; H58-D80 PolarHBondContact ND1-OD1 3.17Å; H58-D80 IonicContact ND1-OD2 3.5Å; H58-D80 PolarHBondContact ND1-OD2 3.01Å; H58-C82 PolarHBondContact CE1-O 3.15Å
59K93.3Very high93.1Very high179 Ų17948.6 Ų48.678%0.77825%0.245SC*.SBendtrans-92-17.6178.1-66.6-176.8178.4-179.30113.1D80K59-D80 HydrophobicContact CB-CB 4.12Å; K59-D80 PolarHBondContact N-OD2 2.96Å
60D93.8Very high93.1Very high79 Ų7951.7 Ų51.742%0.42226%0.26SS..SBendtrans-138.7-177.9-175.7-155.7-18000109.6N39 V62 S78 A79 D80N39-D60 VanDerWaalsContact CA-O 3.31Å; N39-D60 WeakPolarHBondContact CA-O 3.48Å; N39-D60 WeakPolarHBondContact CB-O 3.35Å; D60-V62 PolarHBondContact O-N 3.47Å; D60-S78 PolarHBondContact O-OG 3.08Å; D60-A79 HydrophobicContact CB-CB 3.9Å; D60-D80 HydrophobicContact CB-CB 4.03Å
61T93.7Very high92.8Very high34 Ų3451.1 Ų51.121%0.20926%0.257CS..  trans-53.6129.9-176.8-53.50000111.3G38 Y63 S78 A79G38-T61 CarbonylContact O-C 3.52Å; G38-T61 VanDerWaalsContact O-CA 3.31Å; G38-T61 WeakPolarHBondContact O-CA 3.38Å; T61-Y63 HydrophobicContact CG2-CD1 4.24Å; T61-Y63 HydrophobicContact CG2-CE1 3.94Å; T61-S78 CarbonylContact O-C 3.56Å; T61-S78 VanDerWaalsContact O-CA 3.25Å; T61-S78 WeakPolarHBondContact O-CA 3.47Å; T61-S78 VanDerWaalsContact O-CB 3.31Å; T61-S78 WeakPolarHBondContact O-CB 3.25Å; T61-S78 PolarHBondContact O-OG 2.96Å; T61-A79 PolarHBondContact O-N 2.82Å
62V95.8Very high92.7Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-86.4121.7172.8-1730000107.3A36 G38 V41 H58 D60 V65 G77A36-V62 HydrophobicContact CB-CB 4.16Å; A36-V62 HydrophobicContact CB-CG1 3.81Å; G38-V62 PolarHBondContact O-N 3.48Å; V41-V62 HydrophobicContact CG2-CG1 4.12Å; V41-V62 HydrophobicContact CG2-CG2 4.23Å; H58-V62 HydrophobicContact CB-CG2 3.95Å; D60-V62 PolarHBondContact O-N 3.47Å; V62-V65 HydrophobicContact CG1-CG1 4.46Å; V62-G77 WeakPolarHBondContact CA-O 3.46Å; V62-G77 WeakPolarHBondContact CG1-O 3.48Å
63Y95.2Very high92.7Very high74 Ų7446.3 Ų46.329%0.2924%0.236SC..EExtended strand (participates in β ladder)trans-97-33.1-177.5-72.9-54000113.1W22 D23 T61 G77 A79 I103W22-Y63 WeakPolarHBondContact CB-O 3.41Å; W22-Y63 HydrophobicContact CD2-CD1 4.04Å; W22-Y63 HydrophobicContact CD2-CE1 4.26Å; W22-Y63 HydrophobicContact CG-CD1 4.01Å; W22-Y63 HydrophobicContact CZ2-CE1 4.36Å; D23-Y63 VanDerWaalsContact CB-O 3.24Å; D23-Y63 WeakPolarHBondContact CB-O 3.48Å; T61-Y63 HydrophobicContact CG2-CD1 4.24Å; T61-Y63 HydrophobicContact CG2-CE1 3.94Å; Y63-G77 PolarHBondContact N-O 3.43Å; Y63-A79 HydrophobicContact CD2-CB 4.33Å; Y63-A79 HydrophobicContact CE2-CB 3.64Å; Y63-I103 WeakPolarHBondContact CD2-O 3.21Å
64C95.7Very high92.8Very high2 Ų242.4 Ų42.41%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-142149.3-171.848.80000112.7D23 S76 G77 L106D23-C64 VanDerWaalsContact OD2-CA 3.27Å; D23-C64 WeakPolarHBondContact OD2-CA 3.48Å; C64-S76 WeakPolarHBondContact O-CA 2.91Å; C64-G77 PolarHBondContact N-O 3.26Å; C64-G77 PolarHBondContact O-N 3.18Å; C64-L106 HydrophobicContact CB-CB 4.29Å; C64-L106 HydrophobicContact CB-CG 4.49Å; C64-L106 VanDerWaalsContact SG-CG 3.6Å
65V96.7Very high93Very high4 Ų439.6 Ų39.62%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-140.2137176.8-77.10000110.1D23 I34 A36 V41 V62 G75D23-V65 HydrophobicContact CB-CG2 4.2Å; D23-V65 PolarHBondContact OD2-N 3.25Å; I34-V65 HydrophobicContact CG2-CB 3.98Å; I34-V65 HydrophobicContact CG2-CG1 3.86Å; I34-V65 HydrophobicContact CG2-CG2 4.22Å; A36-V65 HydrophobicContact CB-CG1 4.01Å; A36-V65 HydrophobicContact CB-CG2 4.25Å; V41-V65 HydrophobicContact CG1-CG1 4.21Å; V62-V65 HydrophobicContact CG1-CG1 4.46Å; V65-G75 WeakPolarHBondContact CA-O 3.23Å
66A95.7Very high93.1Very high7 Ų739.4 Ų39.46%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-139145.4179.100000111.1F74 G75 L106 F108 L115A66-F74 CarbonylContact O-C 3.43Å; A66-F74 VanDerWaalsContact O-CA 3.25Å; A66-F74 WeakPolarHBondContact O-CA 3.06Å; A66-F74 VanDerWaalsContact O-CB 3.27Å; A66-F74 WeakPolarHBondContact O-CB 3.19Å; A66-G75 PolarHBondContact N-O 2.94Å; A66-G75 PolarHBondContact O-N 2.76Å; A66-L106 HydrophobicContact CB-CB 4.05Å; A66-F108 HydrophobicContact CB-CD2 3.8Å; A66-F108 HydrophobicContact CB-CE2 4.29Å; A66-F108 WeakPolarHBondContact O-CE2 3.34Å; A66-L115 HydrophobicContact CB-CD1 4.4Å
67Y94.7Very high93.4Very high25 Ų2532.7 Ų32.710%0.09817%0.173CC..EExtended strand (participates in β ladder)trans-110.6137.3179.8-138.3-61.1000110.6S27 P28 I34 I73 F74 S88 F108S27-Y67 VanDerWaalsContact CB-CE2 3.43Å; P28-Y67 HydrophobicContact CG-CD1 4.36Å; I34-Y67 HydrophobicContact CD1-CD2 3.42Å; I34-Y67 VanDerWaalsContact CD1-CD2 3.42Å; I34-Y67 HydrophobicContact CD1-CE2 3.41Å; I34-Y67 VanDerWaalsContact CD1-CE2 3.41Å; I34-Y67 HydrophobicContact CG1-CD2 4.12Å; I34-Y67 HydrophobicContact CG1-CE2 4.07Å; Y67-I73 VanDerWaalsContact CD1-O 3.28Å; Y67-I73 WeakPolarHBondContact CD1-O 3.4Å; Y67-F74 HydrophobicContact CD1-CB 4.21Å; Y67-F74 HydrophobicContact CD2-CB 3.95Å; Y67-F74 HydrophobicContact CE1-CB 4.46Å; Y67-F74 HydrophobicContact CE2-CB 4.25Å; Y67-F74 HydrophobicContact CE2-CD1 4.26Å; Y67-F74 HydrophobicContact CG-CB 3.95Å; Y67-S88 VanDerWaalsContact CE1-OG 3.23Å; Y67-S88 WeakPolarHBondContact CE1-OG 3.26Å; Y67-S88 WeakPolarHBondContact OH-CB 3.37Å; Y67-S88 PolarHBondContact OH-OG 2.77Å; Y67-F108 WeakPolarHBondContact O-CB 3.32Å; Y67-F108 WeakPolarHBondContact O-CD2 3.1Å
68A93.5Very high93.9Very high0 Ų031 Ų310%016%0.156CC..  trans-70.7146.4172.800000111.4P28 D70 S71 I73 F108 V113P28-A68 WeakPolarHBondContact CG-O 3.3Å; A68-D70 VanDerWaalsContact CB-OD1 3.31Å; A68-D70 WeakPolarHBondContact CB-OD1 3.36Å; A68-D70 PolarHBondContact O-N 3.37Å; A68-S71 PolarHBondContact O-N 2.96Å; A68-I73 HydrophobicContact CB-CG1 3.75Å; A68-I73 WeakPolarHBondContact CB-O 3.4Å; A68-I73 PolarHBondContact N-O 3.31Å; A68-F108 HydrophobicContact CB-CD1 3.84Å; A68-F108 HydrophobicContact CB-CD2 4.31Å; A68-F108 HydrophobicContact CB-CE1 3.93Å; A68-F108 HydrophobicContact CB-CE2 4.39Å; A68-F108 HydrophobicContact CB-CG 4.03Å; A68-F108 HydrophobicContact CB-CZ 4.21Å; A68-V113 HydrophobicContact CB-CG1 4.19Å
69H90Very high94Very high75 Ų7531.2 Ų31.235%0.34716%0.161SC..THydrogen-bonded Turntrans-61.2-26.3-175.370.3-84.1000114P28 S71 P110 V111 T112P28-H69 WeakPolarHBondContact CB-O 3.23Å; P28-H69 WeakPolarHBondContact CG-O 3.45Å; H69-S71 VanDerWaalsContact C-N 3.28Å; H69-S71 PolarHBondContact O-N 3.34Å; H69-P110 WeakPolarHBondContact CB-O 3.47Å; H69-V111 VanDerWaalsContact CE1-C 3.47Å; H69-V111 PolarHBondContact CE1-O 2.88Å; H69-V111 VanDerWaalsContact CE1-O 3.29Å; H69-V111 PolarHBondContact NE2-O 3.13Å; H69-T112 PolarHBondContact ND1-O 3.37Å
70D89.2Confident94.1Very high72 Ų7224 Ų2439%0.38513%0.131SC..THydrogen-bonded Turntrans-83.70.8179.269.2-13.9000113.6A68 S72A68-D70 VanDerWaalsContact CB-OD1 3.31Å; A68-D70 WeakPolarHBondContact CB-OD1 3.36Å; A68-D70 PolarHBondContact O-N 3.37Å; D70-S72 PolarHBondContact O-N 3.3Å; D70-S72 VanDerWaalsContact O-N 3.13Å; D70-S72 PolarHBondContact OD1-N 2.74Å; D70-S72 PolarHBondContact OD1-OG 3.41Å; D70-S72 VanDerWaalsContact OD2-CB 3.23Å; D70-S72 WeakPolarHBondContact OD2-CB 3.14Å; D70-S72 PolarHBondContact OD2-OG 3.45Å
71S87.7Confident94.1Very high32 Ų3224.8 Ų24.822%0.22413%0.13CC..SBendtrans59.813.7-175.7-51.40000115.3P28 A68 H69 S88P28-S71 WeakPolarHBondContact CB-OG 3.43Å; P28-S71 VanDerWaalsContact CD-OG 3.24Å; P28-S71 WeakPolarHBondContact CD-OG 3.41Å; P28-S71 VanDerWaalsContact CG-OG 3.31Å; P28-S71 WeakPolarHBondContact CG-OG 3.19Å; A68-S71 PolarHBondContact O-N 2.96Å; H69-S71 VanDerWaalsContact C-N 3.28Å; H69-S71 PolarHBondContact O-N 3.34Å; S71-S88 VanDerWaalsContact O-CB 3.31Å; S71-S88 WeakPolarHBondContact O-CB 3.36Å; S71-S88 PolarHBondContact O-OG 3.46Å
72S90.2Very high94.2Very high49 Ų4923.5 Ų23.534%0.34312%0.122SC..SBendtrans-82.5-36.1-174.572.30000113.2D70 S88D70-S72 PolarHBondContact O-N 3.3Å; D70-S72 VanDerWaalsContact O-N 3.13Å; D70-S72 PolarHBondContact OD1-N 2.74Å; D70-S72 PolarHBondContact OD1-OG 3.41Å; D70-S72 VanDerWaalsContact OD2-CB 3.23Å; D70-S72 WeakPolarHBondContact OD2-CB 3.14Å; D70-S72 PolarHBondContact OD2-OG 3.45Å; S72-S88 WeakPolarHBondContact O-CB 3.47Å; S72-S88 PolarHBondContact O-N 3.3Å; S72-S88 PolarHBondContact O-OG 2.58Å
73I93.9Very high94.1Very high5 Ų523.6 Ų23.63%0.02612%0.123CC..EExtended strand (participates in β ladder)trans-141.7161.5-176.462.9173.3000111.8Y67 A68 I85 W86 S88 L94 F108 V113 W126 M128Y67-I73 VanDerWaalsContact CD1-O 3.28Å; Y67-I73 WeakPolarHBondContact CD1-O 3.4Å; A68-I73 HydrophobicContact CB-CG1 3.75Å; A68-I73 WeakPolarHBondContact CB-O 3.4Å; A68-I73 PolarHBondContact N-O 3.31Å; I73-I85 HydrophobicContact CB-CG2 4.13Å; I73-I85 HydrophobicContact CD1-CG2 3.91Å; I73-I85 HydrophobicContact CG2-CG2 4.45Å; I73-W86 VanDerWaalsContact CA-O 3.24Å; I73-W86 WeakPolarHBondContact CA-O 3.23Å; I73-W86 WeakPolarHBondContact CB-O 3.27Å; I73-S88 PolarHBondContact N-OG 3.04Å; I73-L94 HydrophobicContact CG2-CD1 3.91Å; I73-F108 HydrophobicContact CD1-CE1 4.07Å; I73-F108 HydrophobicContact CD1-CZ 4.08Å; I73-F108 HydrophobicContact CG1-CE1 4.37Å; I73-F108 HydrophobicContact CG1-CZ 4.16Å; I73-V113 HydrophobicContact CD1-CG1 3.51Å; I73-V113 HydrophobicContact CG1-CG1 4.03Å; I73-W126 HydrophobicContact CD1-CH2 3.66Å; I73-W126 HydrophobicContact CD1-CZ3 3.64Å; I73-M128 HydrophobicContact CD1-CG 4.37Å; I73-M128 HydrophobicContact CD1-SD 4.32Å
74F95.6Very high94.1Very high0 Ų020.6 Ų20.60%011%0.112CC..EExtended strand (participates in β ladder)trans-140.4157.4168.163.9-89.3000110.6I34 V41 L55 A66 Y67 W86 L91I34-F74 HydrophobicContact CD1-CB 3.66Å; I34-F74 HydrophobicContact CD1-CD1 3.57Å; I34-F74 HydrophobicContact CD1-CD2 3.36Å; I34-F74 HydrophobicContact CD1-CE1 3.97Å; I34-F74 HydrophobicContact CD1-CE2 3.76Å; I34-F74 HydrophobicContact CD1-CG 3.24Å; I34-F74 HydrophobicContact CD1-CZ 4.05Å; I34-F74 HydrophobicContact CG2-CD2 4.46Å; I34-F74 HydrophobicContact CG2-CE2 4.48Å; V41-F74 HydrophobicContact CG1-CE2 4.33Å; L55-F74 HydrophobicContact CD1-CE2 3.78Å; L55-F74 HydrophobicContact CD1-CZ 3.47Å; L55-F74 VanDerWaalsContact CD1-CZ 3.47Å; A66-F74 CarbonylContact O-C 3.43Å; A66-F74 VanDerWaalsContact O-CA 3.25Å; A66-F74 WeakPolarHBondContact O-CA 3.06Å; A66-F74 VanDerWaalsContact O-CB 3.27Å; A66-F74 WeakPolarHBondContact O-CB 3.19Å; Y67-F74 HydrophobicContact CD1-CB 4.21Å; Y67-F74 HydrophobicContact CD2-CB 3.95Å; Y67-F74 HydrophobicContact CE1-CB 4.46Å; Y67-F74 HydrophobicContact CE2-CB 4.25Å; Y67-F74 HydrophobicContact CE2-CD1 4.26Å; Y67-F74 HydrophobicContact CG-CB 3.95Å; F74-W86 HydrophobicContact CD1-CB 3.97Å; F74-W86 HydrophobicContact CD2-CB 3.83Å; F74-W86 AromaticContact CD2-CD1 3.61Å; F74-W86 AromaticContact CD2-CG 3.96Å; F74-W86 HydrophobicContact CD2-CG 3.96Å; F74-W86 HydrophobicContact CE1-CB 3.51Å; F74-W86 HydrophobicContact CE1-CG 4.37Å; F74-W86 HydrophobicContact CE2-CB 3.38Å; F74-W86 AromaticContact CE2-CD1 3.27Å; F74-W86 HydrophobicContact CE2-CD2 4.25Å; F74-W86 AromaticContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CG-CB 4.12Å; F74-W86 HydrophobicContact CZ-CB 3.19Å; F74-W86 HydrophobicContact CZ-CD2 4.39Å; F74-W86 AromaticContact CZ-CG 3.58Å; F74-W86 HydrophobicContact CZ-CG 3.58Å; F74-W86 PolarHBondContact N-O 2.74Å; F74-W86 PolarHBondContact O-N 3.29Å; F74-L91 HydrophobicContact CE1-CD2 3.77Å; F74-L91 HydrophobicContact CZ-CD2 4.07Å
75G94.5Very high94Very high0 Ų020.5 Ų20.50%011%0.111CC..EExtended strand (participates in β ladder)trans-115.4149.2-17900000111.9V65 A66 I84V65-G75 WeakPolarHBondContact CA-O 3.23Å; A66-G75 PolarHBondContact N-O 2.94Å; A66-G75 PolarHBondContact O-N 2.76Å; G75-I84 CarbonylContact C-O 3.6Å; G75-I84 WeakPolarHBondContact CA-O 3.45Å
76S96.6Very high93.9Very high0 Ų020.9 Ų20.90%011%0.112CC..EExtended strand (participates in β ladder)trans-131.9139.817163.30000111.5H58 C64 V83 I84 W86H58-S76 PolarHBondContact NE2-O 3.4Å; H58-S76 PolarHBondContact NE2-OG 2.98Å; C64-S76 WeakPolarHBondContact O-CA 2.91Å; S76-V83 CarbonylContact O-C 3.59Å; S76-V83 VanDerWaalsContact O-CA 3.27Å; S76-V83 WeakPolarHBondContact O-CA 3.46Å; S76-I84 PolarHBondContact N-O 3.48Å; S76-I84 PolarHBondContact O-N 2.97Å; S76-W86 PolarHBondContact OG-NE1 3.45Å
77G95.7Very high93.8Very high0 Ų024.8 Ų24.80%013%0.128CC..EExtended strand (participates in β ladder)trans-126.2137.1-174.700000111.6V62 Y63 C64V62-G77 WeakPolarHBondContact CA-O 3.46Å; V62-G77 WeakPolarHBondContact CG1-O 3.48Å; Y63-G77 PolarHBondContact N-O 3.43Å; C64-G77 PolarHBondContact N-O 3.26Å; C64-G77 PolarHBondContact O-N 3.18Å
78S96.5Very high93.6Very high0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-133.6161.6-170.61710000114H58 D60 T61 D80 K81 C82 I103H58-S78 WeakPolarHBondContact ND1-CB 3.42Å; D60-S78 PolarHBondContact O-OG 3.08Å; T61-S78 CarbonylContact O-C 3.56Å; T61-S78 VanDerWaalsContact O-CA 3.25Å; T61-S78 WeakPolarHBondContact O-CA 3.47Å; T61-S78 VanDerWaalsContact O-CB 3.31Å; T61-S78 WeakPolarHBondContact O-CB 3.25Å; T61-S78 PolarHBondContact O-OG 2.96Å; S78-D80 VanDerWaalsContact CB-OD1 3.23Å; S78-D80 WeakPolarHBondContact CB-OD1 2.93Å; S78-D80 PolarHBondContact O-N 3Å; S78-D80 PolarHBondContact OG-N 3.05Å; S78-D80 VanDerWaalsContact OG-N 3.11Å; S78-D80 PolarHBondContact OG-OD1 3.14Å; S78-K81 PolarHBondContact O-N 2.85Å; S78-K81 VanDerWaalsContact O-N 3.13Å; S78-C82 PolarHBondContact N-O 3.35Å; S78-I103 PolarHBondContact O-N 3.16Å; S78-I103 VanDerWaalsContact O-N 3.15Å
79A96Very high93.4Very high19 Ų1928.6 Ų28.616%0.15716%0.158CC..THydrogen-bonded Turntrans-54-23164.800000113.2D60 T61 Y63 K81D60-A79 HydrophobicContact CB-CB 3.9Å; T61-A79 PolarHBondContact O-N 2.82Å; Y63-A79 HydrophobicContact CD2-CB 4.33Å; Y63-A79 HydrophobicContact CE2-CB 3.64Å; A79-K81 PolarHBondContact O-N 3.19Å
80D95.1Very high93.4Very high28 Ų2827.8 Ų27.815%0.1516%0.159CC..THydrogen-bonded Turntrans-71.29.8174.478.5-3.6000114.4H58 K59 D60 S78 C82H58-D80 VanDerWaalsContact CA-OD2 3.31Å; H58-D80 WeakPolarHBondContact CA-OD2 3.12Å; H58-D80 IonicContact CE1-OD1 3.88Å; H58-D80 IonicContact CG-OD2 3.74Å; H58-D80 IonicContact ND1-OD1 3.3Å; H58-D80 PolarHBondContact ND1-OD1 3.17Å; H58-D80 IonicContact ND1-OD2 3.5Å; H58-D80 PolarHBondContact ND1-OD2 3.01Å; K59-D80 HydrophobicContact CB-CB 4.12Å; K59-D80 PolarHBondContact N-OD2 2.96Å; D60-D80 HydrophobicContact CB-CB 4.03Å; S78-D80 VanDerWaalsContact CB-OD1 3.23Å; S78-D80 WeakPolarHBondContact CB-OD1 2.93Å; S78-D80 PolarHBondContact O-N 3Å; S78-D80 PolarHBondContact OG-N 3.05Å; S78-D80 VanDerWaalsContact OG-N 3.11Å; S78-D80 PolarHBondContact OG-OD1 3.14Å; D80-C82 PolarHBondContact O-N 3.46Å; D80-C82 PolarHBondContact O-SG 2.98Å; D80-C82 WeakPolarHBondContact OD1-CB 3.28Å; D80-C82 PolarHBondContact OD1-N 3.03Å
81K94.8Very high93.5Very high95 Ų9525 Ų2541%0.41314%0.144SC..SBendtrans68.28.3178.8-44-180174.1-160.50114S78 A79 M98 H99 T100 E101S78-K81 PolarHBondContact O-N 2.85Å; S78-K81 VanDerWaalsContact O-N 3.13Å; A79-K81 PolarHBondContact O-N 3.19Å; K81-M98 HydrophobicContact CB-CG 4.42Å; K81-M98 CarbonylContact O-C 3.52Å; K81-M98 WeakPolarHBondContact O-CA 3.34Å; K81-H99 PolarHBondContact O-N 2.81Å; K81-T100 WeakPolarHBondContact CD-O 3.33Å; K81-T100 PolarHBondContact NZ-O 3.43Å; K81-E101 WeakPolarHBondContact CA-O 3.34Å; K81-E101 WeakPolarHBondContact CB-O 3.43Å
82C94.4Very high93.7Very high6 Ų629.2 Ų29.24%0.04116%0.16CC..EExtended strand (participates in β ladder)trans-107.5146.7-175-55.90000112.1H58 S78 D80 K96 Y97H58-C82 PolarHBondContact CE1-O 3.15Å; S78-C82 PolarHBondContact N-O 3.35Å; D80-C82 PolarHBondContact O-N 3.46Å; D80-C82 PolarHBondContact O-SG 2.98Å; D80-C82 WeakPolarHBondContact OD1-CB 3.28Å; D80-C82 PolarHBondContact OD1-N 3.03Å; C82-K96 HydrophobicContact CB-CD 4.47Å; C82-K96 HydrophobicContact CB-CG 4.24Å; C82-K96 WeakPolarHBondContact SG-CE 3.49Å; C82-Y97 CarbonylContact C-O 3.43Å; C82-Y97 WeakPolarHBondContact CA-O 3.46Å
83V94.6Very high93.6Very high2 Ų229 Ų291%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-108.8126.5164.1-178.80000107.6S76 I85 K96 Y97 I103 L106 L115S76-V83 CarbonylContact O-C 3.59Å; S76-V83 VanDerWaalsContact O-CA 3.27Å; S76-V83 WeakPolarHBondContact O-CA 3.46Å; V83-I85 HydrophobicContact CG1-CD1 4.2Å; V83-K96 WeakPolarHBondContact O-CA 3.31Å; V83-Y97 PolarHBondContact N-O 3.49Å; V83-Y97 PolarHBondContact O-N 3.49Å; V83-I103 HydrophobicContact CG2-CD1 3.74Å; V83-I103 HydrophobicContact CG2-CG1 3.81Å; V83-I103 HydrophobicContact CG2-CG2 4.23Å; V83-L106 HydrophobicContact CG1-CD1 4.16Å; V83-L106 HydrophobicContact CG1-CD2 3.93Å; V83-L106 HydrophobicContact CG2-CD2 3.99Å; V83-L115 HydrophobicContact CG1-CD2 3.95Å
84I94.7Very high93.3Very high11 Ų1132.5 Ų32.56%0.05618%0.184CC..EExtended strand (participates in β ladder)trans-110.9129.5174.7-58.7175.4000108.6G75 S76 W86 L95 K96G75-I84 CarbonylContact C-O 3.6Å; G75-I84 WeakPolarHBondContact CA-O 3.45Å; S76-I84 PolarHBondContact N-O 3.48Å; S76-I84 PolarHBondContact O-N 2.97Å; I84-W86 HydrophobicContact CB-CZ2 4.07Å; I84-W86 HydrophobicContact CD1-CZ2 4.1Å; I84-W86 HydrophobicContact CG2-CD2 3.98Å; I84-W86 VanDerWaalsContact CG2-CE2 3.42Å; I84-W86 HydrophobicContact CG2-CG 4.43Å; I84-W86 HydrophobicContact CG2-CH2 4.18Å; I84-W86 HydrophobicContact CG2-CZ2 3.55Å; I84-W86 PolarHBondContact O-NE1 2.84Å; I84-L95 WeakPolarHBondContact CA-O 3.21Å; I84-K96 HydrophobicContact CG1-CD 4.41Å; I84-K96 HydrophobicContact CG1-CG 4.19Å
85I94.3Very high92.9Very high0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-96.8130.2172.7-52.6-59.2000108.5I73 V83 G93 L94 L95 Y97 L115 W126I73-I85 HydrophobicContact CB-CG2 4.13Å; I73-I85 HydrophobicContact CD1-CG2 3.91Å; I73-I85 HydrophobicContact CG2-CG2 4.45Å; V83-I85 HydrophobicContact CG1-CD1 4.2Å; I85-G93 CarbonylContact O-C 3.54Å; I85-G93 WeakPolarHBondContact O-CA 3.32Å; I85-L94 HydrophobicContact CG2-CD1 4.45Å; I85-L94 PolarHBondContact O-N 2.99Å; I85-L95 HydrophobicContact CB-CB 4.44Å; I85-L95 PolarHBondContact N-O 3.16Å; I85-Y97 HydrophobicContact CG1-CD2 4.39Å; I85-Y97 HydrophobicContact CG1-CE2 4.17Å; I85-L115 HydrophobicContact CD1-CD2 3.45Å; I85-L115 VanDerWaalsContact CD1-CD2 3.45Å; I85-W126 HydrophobicContact CB-CH2 4.22Å; I85-W126 HydrophobicContact CB-CZ2 4.43Å; I85-W126 HydrophobicContact CD1-CD2 4.2Å; I85-W126 HydrophobicContact CD1-CE3 3.89Å; I85-W126 HydrophobicContact CD1-CH2 4.05Å; I85-W126 HydrophobicContact CD1-CZ2 4.41Å; I85-W126 HydrophobicContact CD1-CZ3 3.81Å; I85-W126 HydrophobicContact CG1-CD2 4.26Å; I85-W126 HydrophobicContact CG1-CE3 4.27Å; I85-W126 HydrophobicContact CG1-CH2 3.71Å; I85-W126 HydrophobicContact CG1-CZ2 3.75Å; I85-W126 HydrophobicContact CG1-CZ3 4Å; I85-W126 HydrophobicContact CG2-CH2 3.68Å; I85-W126 HydrophobicContact CG2-CZ2 4.31Å; I85-W126 HydrophobicContact CG2-CZ3 4.23Å
86W94.7Very high92.7Very high13 Ų1340.1 Ų40.15%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-115.6140.5-177.3-55.488.5000110.2L55 I73 F74 S76 I84 E92 G93L55-W86 HydrophobicContact CB-CE3 4.24Å; L55-W86 HydrophobicContact CB-CH2 3.73Å; L55-W86 HydrophobicContact CB-CZ2 4.07Å; L55-W86 HydrophobicContact CB-CZ3 3.82Å; L55-W86 HydrophobicContact CD1-CD2 3.85Å; L55-W86 HydrophobicContact CD1-CE3 3.85Å; L55-W86 HydrophobicContact CD1-CG 4.26Å; L55-W86 HydrophobicContact CD1-CZ3 4.3Å; L55-W86 HydrophobicContact CG-CE3 4.44Å; L55-W86 HydrophobicContact CG-CZ3 4.44Å; I73-W86 VanDerWaalsContact CA-O 3.24Å; I73-W86 WeakPolarHBondContact CA-O 3.23Å; I73-W86 WeakPolarHBondContact CB-O 3.27Å; F74-W86 HydrophobicContact CD1-CB 3.97Å; F74-W86 HydrophobicContact CD2-CB 3.83Å; F74-W86 AromaticContact CD2-CD1 3.61Å; F74-W86 AromaticContact CD2-CG 3.96Å; F74-W86 HydrophobicContact CD2-CG 3.96Å; F74-W86 HydrophobicContact CE1-CB 3.51Å; F74-W86 HydrophobicContact CE1-CG 4.37Å; F74-W86 HydrophobicContact CE2-CB 3.38Å; F74-W86 AromaticContact CE2-CD1 3.27Å; F74-W86 HydrophobicContact CE2-CD2 4.25Å; F74-W86 AromaticContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CG-CB 4.12Å; F74-W86 HydrophobicContact CZ-CB 3.19Å; F74-W86 HydrophobicContact CZ-CD2 4.39Å; F74-W86 AromaticContact CZ-CG 3.58Å; F74-W86 HydrophobicContact CZ-CG 3.58Å; F74-W86 PolarHBondContact N-O 2.74Å; F74-W86 PolarHBondContact O-N 3.29Å; S76-W86 PolarHBondContact OG-NE1 3.45Å; I84-W86 HydrophobicContact CB-CZ2 4.07Å; I84-W86 HydrophobicContact CD1-CZ2 4.1Å; I84-W86 HydrophobicContact CG2-CD2 3.98Å; I84-W86 VanDerWaalsContact CG2-CE2 3.42Å; I84-W86 HydrophobicContact CG2-CG 4.43Å; I84-W86 HydrophobicContact CG2-CH2 4.18Å; I84-W86 HydrophobicContact CG2-CZ2 3.55Å; I84-W86 PolarHBondContact O-NE1 2.84Å; W86-E92 WeakPolarHBondContact CA-O 3.17Å; W86-G93 VanDerWaalsContact CE3-N 3.27Å
87K93.5Very high92.2Very high89 Ų8941 Ų4139%0.38722%0.223SC..EExtended strand (participates in β ladder)trans-79.9124.6170.8-167.5172.2-176.9175.60109.7S89 T90 L91 E92 L94K87-S89 VanDerWaalsContact C-N 3.33Å; K87-S89 WeakPolarHBondContact CE-OG 3.49Å; K87-S89 PolarHBondContact O-N 2.81Å; K87-T90 HydrophobicContact CD-CG2 4.44Å; K87-L91 WeakPolarHBondContact O-CA 3.33Å; K87-L91 PolarHBondContact O-N 3.43Å; K87-E92 PolarHBondContact N-O 2.98Å; K87-L94 HydrophobicContact CB-CD1 3.84Å; K87-L94 HydrophobicContact CB-CD2 4.12Å; K87-L94 HydrophobicContact CB-CG 3.91Å; K87-L94 HydrophobicContact CD-CD2 4.38Å; K87-L94 HydrophobicContact CG-CD1 4.45Å
88S90.6Very high92Very high7 Ų747 Ų475%0.04925%0.252CS..THydrogen-bonded Turntrans-64.9-33.5-174.9-66.70000114.2Y67 S71 S72 I73 L91Y67-S88 VanDerWaalsContact CE1-OG 3.23Å; Y67-S88 WeakPolarHBondContact CE1-OG 3.26Å; Y67-S88 WeakPolarHBondContact OH-CB 3.37Å; Y67-S88 PolarHBondContact OH-OG 2.77Å; S71-S88 VanDerWaalsContact O-CB 3.31Å; S71-S88 WeakPolarHBondContact O-CB 3.36Å; S71-S88 PolarHBondContact O-OG 3.46Å; S72-S88 WeakPolarHBondContact O-CB 3.47Å; S72-S88 PolarHBondContact O-N 3.3Å; S72-S88 PolarHBondContact O-OG 2.58Å; I73-S88 PolarHBondContact N-OG 3.04Å; S88-L91 WeakPolarHBondContact O-CD2 3.45Å
89S88.9Confident91.7Very high97 Ų9747.3 Ų47.368%0.67825%0.254SS*.THydrogen-bonded Turntrans-76.8-36.8-177.356.10000114.1K87K87-S89 VanDerWaalsContact C-N 3.33Å; K87-S89 WeakPolarHBondContact CE-OG 3.49Å; K87-S89 PolarHBondContact O-N 2.81Å
90T90.2Very high91.4Very high59 Ų5949.7 Ų49.736%0.36227%0.266SS..THydrogen-bonded Turntrans-100-18.2-179.460.50000113K53 K87 E92K53-T90 PolarHBondContact NZ-O 2.99Å; K87-T90 HydrophobicContact CD-CG2 4.44Å; T90-E92 VanDerWaalsContact C-N 3.3Å
91L91.1Very high91.3Very high14 Ų1452.4 Ų52.47%0.07328%0.278CS..THydrogen-bonded Turntrans54.248.8-173-56.8176.7000111.1V43 I52 K53 L55 F74 K87 S88V43-L91 HydrophobicContact CB-CD1 4.44Å; V43-L91 HydrophobicContact CG1-CD1 4.34Å; V43-L91 HydrophobicContact CG1-CD2 4.31Å; V43-L91 HydrophobicContact CG2-CD2 4.24Å; I52-L91 HydrophobicContact CG2-CD1 3.86Å; K53-L91 HydrophobicContact CB-CD1 3.75Å; K53-L91 HydrophobicContact CD-CB 3.69Å; K53-L91 HydrophobicContact CD-CD1 3.88Å; K53-L91 HydrophobicContact CD-CG 4.45Å; K53-L91 HydrophobicContact CG-CD1 4.49Å; K53-L91 PolarHBondContact NZ-O 2.94Å; L55-L91 HydrophobicContact CD2-CB 3.89Å; L55-L91 WeakPolarHBondContact CD2-O 3.34Å; F74-L91 HydrophobicContact CE1-CD2 3.77Å; F74-L91 HydrophobicContact CZ-CD2 4.07Å; K87-L91 WeakPolarHBondContact O-CA 3.33Å; K87-L91 PolarHBondContact O-N 3.43Å; S88-L91 WeakPolarHBondContact O-CD2 3.45Å
92E91Very high91.3Very high119 Ų11949.3 Ų49.356%0.55627%0.269SS*.EExtended strand (participates in β ladder)trans-121.3145177.9-67.1177.3160.500110W86 K87 T90 L94W86-E92 WeakPolarHBondContact CA-O 3.17Å; K87-E92 PolarHBondContact N-O 2.98Å; T90-E92 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 2.74Å
93G88.8Confident91.4Very high45 Ų4549 Ų4946%0.46427%0.267SS..EExtended strand (participates in β ladder)trans-74.1117.1179.200000110.3I85 W86I85-G93 CarbonylContact O-C 3.54Å; I85-G93 WeakPolarHBondContact O-CA 3.32Å; W86-G93 VanDerWaalsContact CE3-N 3.27Å
94L87.4Confident91.4Very high79 Ų7950.9 Ų50.941%0.41428%0.275SS..EExtended strand (participates in β ladder)trans-80.4-52.6178.6-69.8172.8000111.3I73 I85 K87 E92I73-L94 HydrophobicContact CG2-CD1 3.91Å; I85-L94 HydrophobicContact CG2-CD1 4.45Å; I85-L94 PolarHBondContact O-N 2.99Å; K87-L94 HydrophobicContact CB-CD1 3.84Å; K87-L94 HydrophobicContact CB-CD2 4.12Å; K87-L94 HydrophobicContact CB-CG 3.91Å; K87-L94 HydrophobicContact CD-CD2 4.38Å; K87-L94 HydrophobicContact CG-CD1 4.45Å; E92-L94 PolarHBondContact O-N 2.74Å
95L87.5Confident91.4Very high53 Ų5351 Ų5128%0.27728%0.276SS..EExtended strand (participates in β ladder)trans-142.9150.5-168.7-71.7156.3000110.3I84 I85 Y97 W126 M128I84-L95 WeakPolarHBondContact CA-O 3.21Å; I85-L95 HydrophobicContact CB-CB 4.44Å; I85-L95 PolarHBondContact N-O 3.16Å; L95-Y97 HydrophobicContact CB-CD2 4.44Å; L95-Y97 HydrophobicContact CB-CE2 3.5Å; L95-Y97 HydrophobicContact CD1-CE2 4.42Å; L95-Y97 WeakPolarHBondContact CD1-OH 3.31Å; L95-Y97 HydrophobicContact CG-CE2 4.42Å; L95-W126 HydrophobicContact CD1-CZ2 3.9Å; L95-M128 HydrophobicContact CD1-SD 4.28Å
96K89.7Confident91.4Very high107 Ų10751.5 Ų51.547%0.46528%0.279SS..EExtended strand (participates in β ladder)trans-132121.6179.2-177.8171.3-178.9164.20110.2C82 V83 I84C82-K96 HydrophobicContact CB-CD 4.47Å; C82-K96 HydrophobicContact CB-CG 4.24Å; C82-K96 WeakPolarHBondContact SG-CE 3.49Å; V83-K96 WeakPolarHBondContact O-CA 3.31Å; I84-K96 HydrophobicContact CG1-CD 4.41Å; I84-K96 HydrophobicContact CG1-CG 4.19Å
97Y87.5Confident91.5Very high19 Ų1952 Ų528%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-113.8156.3179.1-61.1-83.6000110.5C82 V83 I85 L95 W126 K131 V133C82-Y97 CarbonylContact C-O 3.43Å; C82-Y97 WeakPolarHBondContact CA-O 3.46Å; V83-Y97 PolarHBondContact N-O 3.49Å; V83-Y97 PolarHBondContact O-N 3.49Å; I85-Y97 HydrophobicContact CG1-CD2 4.39Å; I85-Y97 HydrophobicContact CG1-CE2 4.17Å; L95-Y97 HydrophobicContact CB-CD2 4.44Å; L95-Y97 HydrophobicContact CB-CE2 3.5Å; L95-Y97 HydrophobicContact CD1-CE2 4.42Å; L95-Y97 WeakPolarHBondContact CD1-OH 3.31Å; L95-Y97 HydrophobicContact CG-CE2 4.42Å; Y97-W126 AromaticContact CD2-CD1 3.8Å; Y97-W126 HydrophobicContact CD2-CG 4.37Å; Y97-W126 AromaticContact CD2-NE1 3.89Å; Y97-W126 AromaticContact CE1-CD1 3.54Å; Y97-W126 AromaticContact CE1-NE1 3.63Å; Y97-W126 AromaticContact CE2-CD1 3.34Å; Y97-W126 HydrophobicContact CE2-CD2 4.28Å; Y97-W126 AromaticContact CE2-CE2 3.55Å; Y97-W126 HydrophobicContact CE2-CG 4.13Å; Y97-W126 HydrophobicContact CE2-CZ2 4.17Å; Y97-W126 AromaticContact CE2-NE1 2.98Å; Y97-W126 AromaticContact CZ-CD1 3.23Å; Y97-W126 AromaticContact CZ-CE2 3.83Å; Y97-W126 AromaticContact CZ-NE1 2.84Å; Y97-W126 PolarHBondContact OH-NE1 3.4Å; Y97-K131 WeakPolarHBondContact CE1-O 3.48Å; Y97-V133 HydrophobicContact CD1-CG2 3.8Å; Y97-V133 HydrophobicContact CE1-CG2 4.44Å; Y97-V133 HydrophobicContact CG-CG2 4.12Å
98M90.1Very high91.5Very high126 Ų12648.3 Ų48.362%0.62127%0.266SS*.EExtended strand (participates in β ladder)trans-132.4127-175-167.6-175.1-59.300111.7K81 K135K81-M98 HydrophobicContact CB-CG 4.42Å; K81-M98 CarbonylContact O-C 3.52Å; K81-M98 WeakPolarHBondContact O-CA 3.34Å; M98-K135 WeakPolarHBondContact O-CE 3.22Å; M98-K135 PolarHBondContact O-NZ 3.45Å
99H90.7Very high91.6Very high6 Ų648 Ų483%0.02826%0.264CS..  trans-91173.2170.7-82-106.4000111.8K81 E101 I103 S117 D122K81-H99 PolarHBondContact O-N 2.81Å; H99-E101 VanDerWaalsContact C-N 3.35Å; H99-I103 HydrophobicContact CB-CD1 3.52Å; H99-I103 WeakPolarHBondContact CD2-CD1 3.37Å; H99-S117 PolarHBondContact CE1-O 2.83Å; H99-S117 PolarHBondContact CE1-OG 2.97Å; H99-S117 PolarHBondContact NE2-OG 3.23Å; H99-D122 IonicContact CE1-OD1 2.7Å; H99-D122 IonicContact CG-OD1 3.73Å; H99-D122 IonicContact ND1-OD1 2.7Å; H99-D122 PolarHBondContact ND1-OD1 2.91Å; H99-D122 IonicContact ND1-OD2 3.21Å
100T89.9Confident91.6Very high69 Ų6946 Ų4642%0.42325%0.249SC..SBendtrans-69.7-35.3175.951.70000112.1K81 T121 D122 K135K81-T100 WeakPolarHBondContact CD-O 3.33Å; K81-T100 PolarHBondContact NZ-O 3.43Å; T100-T121 PolarHBondContact OG1-OG1 3.45Å; T100-D122 WeakPolarHBondContact CG2-OD2 3.15Å; T100-D122 PolarHBondContact N-OD2 3.47Å; T100-D122 VanDerWaalsContact OG1-CG 3.28Å; T100-D122 PolarHBondContact OG1-OD2 3.12Å; T100-K135 HydrophobicContact CG2-CD 4.44Å
101E93.3Very high91.6Very high84 Ų8447 Ų4739%0.39326%0.255SS..SBendtrans-132.9-174.9-178.2-65.9-165.7-176.100112.5K81 H99 S120K81-E101 WeakPolarHBondContact CA-O 3.34Å; K81-E101 WeakPolarHBondContact CB-O 3.43Å; H99-E101 VanDerWaalsContact C-N 3.35Å; E101-S120 WeakPolarHBondContact OE2-CB 3.38Å
102S94.5Very high91.5Very high31 Ų3148.8 Ų48.822%0.21727%0.266CS..  trans-59.5136.9-179.553.90000111.6Q104 G119 S120S102-Q104 PolarHBondContact OG-NE2 3.16Å; S102-G119 CarbonylContact O-C 3.59Å; S102-G119 WeakPolarHBondContact O-CA 3.15Å; S102-S120 PolarHBondContact O-N 2.88Å; S102-S120 PolarHBondContact O-OG 3.14Å; S102-S120 PolarHBondContact OG-OG 3.32Å
103I95.7Very high91.5Very high0 Ų045.2 Ų45.20%025%0.253CS..EExtended strand (participates in β ladder)trans-74.2129.2176.1-50.5-59.5000108.9Y63 S78 V83 H99 L106 T118Y63-I103 WeakPolarHBondContact CD2-O 3.21Å; S78-I103 PolarHBondContact O-N 3.16Å; S78-I103 VanDerWaalsContact O-N 3.15Å; V83-I103 HydrophobicContact CG2-CD1 3.74Å; V83-I103 HydrophobicContact CG2-CG1 3.81Å; V83-I103 HydrophobicContact CG2-CG2 4.23Å; H99-I103 HydrophobicContact CB-CD1 3.52Å; H99-I103 WeakPolarHBondContact CD2-CD1 3.37Å; I103-L106 HydrophobicContact CG2-CD2 4.36Å; I103-L106 HydrophobicContact CG2-CG 4.11Å; I103-T118 CarbonylContact C-O 3.56Å; I103-T118 WeakPolarHBondContact CA-O 3.4Å; I103-T118 WeakPolarHBondContact CG2-O 3.33Å
104Q94.8Very high91.6Very high40 Ų4044.2 Ų44.219%0.18724%0.236CC..EExtended strand (participates in β ladder)trans-100.1-53.5-178-63.2-59.8-57.800111.3S102 T118 S120 R141 P142S102-Q104 PolarHBondContact OG-NE2 3.16Å; Q104-T118 PolarHBondContact N-O 2.95Å; Q104-S120 PolarHBondContact NE2-OG 3.26Å; Q104-R141 HydrophobicContact CG-CG 4.23Å; Q104-P142 VanDerWaalsContact CB-O 3.25Å; Q104-P142 WeakPolarHBondContact CB-O 3.45Å; Q104-P142 WeakPolarHBondContact CG-O 3.43Å
105C94.8Very high91.9Very high13 Ų1340.4 Ų40.49%0.08822%0.216CC..EExtended strand (participates in β ladder)trans-139.7154177.766.90000112.9T118 C144 C145C105-T118 PolarHBondContact N-OG1 2.76Å; C105-T118 PolarHBondContact O-N 3.45Å; C105-T118 PolarHBondContact O-OG1 3.41Å; C105-T118 PolarHBondContact SG-OG1 3.36Å; C105-C144 VanDerWaalsContact SG-CA 3.5Å; C105-C145 PolarHBondContact SG-N 3.05Å; C105-C145 VanDerWaalsContact SG-N 3.36Å; C105-C145 PolarHBondContact SG-SG 3.43Å
106L95.4Very high92.2Very high12 Ų1237.9 Ų37.96%0.06320%0.203CC..EExtended strand (participates in β ladder)trans-133.1139.4179.6-76.6172000109.1C64 A66 V83 I103 L115 A116C64-L106 HydrophobicContact CB-CB 4.29Å; C64-L106 HydrophobicContact CB-CG 4.49Å; C64-L106 VanDerWaalsContact SG-CG 3.6Å; A66-L106 HydrophobicContact CB-CB 4.05Å; V83-L106 HydrophobicContact CG1-CD1 4.16Å; V83-L106 HydrophobicContact CG1-CD2 3.93Å; V83-L106 HydrophobicContact CG2-CD2 3.99Å; I103-L106 HydrophobicContact CG2-CD2 4.36Å; I103-L106 HydrophobicContact CG2-CG 4.11Å; L106-L115 HydrophobicContact CB-CD1 4.33Å; L106-L115 HydrophobicContact CD2-CD1 4.06Å; L106-L115 HydrophobicContact CD2-CD2 4.06Å; L106-L115 HydrophobicContact CD2-CG 4.13Å; L106-A116 WeakPolarHBondContact CA-O 3.34Å
107E95.4Very high92.4Very high23 Ų2332.9 Ų32.911%0.10718%0.182CC..EExtended strand (participates in β ladder)trans-154.5132.5172.1-160.9-172.6-156.600112.2A116 S146 W147 K188E107-A116 PolarHBondContact N-O 2.96Å; E107-A116 WeakPolarHBondContact O-CB 3.4Å; E107-A116 PolarHBondContact O-N 3.45Å; E107-S146 WeakPolarHBondContact OE1-CA 3.38Å; E107-S146 WeakPolarHBondContact OE2-CA 3.44Å; E107-S146 PolarHBondContact OE2-N 2.78Å; E107-W147 PolarHBondContact O-NE1 2.9Å; E107-W147 PolarHBondContact OE1-N 3.17Å; E107-W147 VanDerWaalsContact OE2-CD1 3.3Å; E107-W147 PolarHBondContact OE2-N 2.75Å; E107-K188 IonicContact OE1-NZ 3.84Å; E107-K188 PolarHBondContact OE1-NZ 3.34Å
108F94.5Very high92.8Very high11 Ų1132 Ų325%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-80144.3172-81.5-83.5000111.2A66 Y67 A68 I73 V113 L114 L115 W126 W147A66-F108 HydrophobicContact CB-CD2 3.8Å; A66-F108 HydrophobicContact CB-CE2 4.29Å; A66-F108 WeakPolarHBondContact O-CE2 3.34Å; Y67-F108 WeakPolarHBondContact O-CB 3.32Å; Y67-F108 WeakPolarHBondContact O-CD2 3.1Å; A68-F108 HydrophobicContact CB-CD1 3.84Å; A68-F108 HydrophobicContact CB-CD2 4.31Å; A68-F108 HydrophobicContact CB-CE1 3.93Å; A68-F108 HydrophobicContact CB-CE2 4.39Å; A68-F108 HydrophobicContact CB-CG 4.03Å; A68-F108 HydrophobicContact CB-CZ 4.21Å; I73-F108 HydrophobicContact CD1-CE1 4.07Å; I73-F108 HydrophobicContact CD1-CZ 4.08Å; I73-F108 HydrophobicContact CG1-CE1 4.37Å; I73-F108 HydrophobicContact CG1-CZ 4.16Å; F108-V113 HydrophobicContact CE1-CG1 4.29Å; F108-L114 WeakPolarHBondContact CA-O 3.47Å; F108-L115 HydrophobicContact CD1-CB 3.98Å; F108-L115 HydrophobicContact CD1-CD1 4.23Å; F108-L115 HydrophobicContact CD2-CD1 3.73Å; F108-L115 HydrophobicContact CE1-CB 3.72Å; F108-L115 HydrophobicContact CE1-CD1 4.21Å; F108-L115 HydrophobicContact CE1-CG 4.41Å; F108-L115 HydrophobicContact CE2-CD1 3.7Å; F108-L115 HydrophobicContact CG-CD1 4.01Å; F108-L115 HydrophobicContact CZ-CB 4.1Å; F108-L115 HydrophobicContact CZ-CD1 3.96Å; F108-L115 HydrophobicContact CZ-CD2 4.2Å; F108-L115 HydrophobicContact CZ-CG 4.33Å; F108-W126 HydrophobicContact CE1-CE3 4.48Å; F108-W126 HydrophobicContact CE1-CZ3 4.1Å; F108-W126 HydrophobicContact CZ-CZ3 4.37Å; F108-W147 VanDerWaalsContact C-CD1 3.5Å; F108-W147 VanDerWaalsContact O-CD1 3.28Å
109N92.8Very high92.9Very high0 Ų026 Ų260%015%0.149CC..  trans-61.1133.7169-173.4-69.8000109.8V111 T112 L114 W147 G151N109-V111 PolarHBondContact O-N 3.43Å; N109-V111 PolarHBondContact OD1-N 3.49Å; N109-T112 WeakPolarHBondContact CB-OG1 3.48Å; N109-T112 PolarHBondContact OD1-N 3.28Å; N109-T112 PolarHBondContact OD1-OG1 3.06Å; N109-T112 VanDerWaalsContact OD1-OG1 3.08Å; N109-L114 HydrophobicContact CB-CB 3.87Å; N109-L114 WeakPolarHBondContact CB-O 3.44Å; N109-L114 PolarHBondContact N-O 3.28Å; N109-W147 HydrophobicContact CB-CD2 4.21Å; N109-W147 HydrophobicContact CB-CZ2 4.31Å; N109-W147 WeakPolarHBondContact ND2-CZ3 3.15Å; N109-G151 WeakPolarHBondContact ND2-CA 3.5Å; N109-G151 PolarHBondContact ND2-O 2.84Å
110P89.6Confident93.1Very high56 Ų5626.3 Ų26.336%0.36415%0.151SC..SBendtrans-72.4-14.3-174.226.6-33.8000113.5H69 W147 M148H69-P110 WeakPolarHBondContact CB-O 3.47Å; P110-W147 VanDerWaalsContact CD-CB 3.44Å; P110-W147 HydrophobicContact CG-CB 4.2Å; P110-M148 WeakPolarHBondContact CG-O 3.49Å
111V89.4Confident93.2Very high80 Ų8025.7 Ų25.749%0.48515%0.148SC..SBendtrans-110.9-29.7-177.3-178.90000112.3H69 N109 D150H69-V111 VanDerWaalsContact CE1-C 3.47Å; H69-V111 PolarHBondContact CE1-O 2.88Å; H69-V111 VanDerWaalsContact CE1-O 3.29Å; H69-V111 PolarHBondContact NE2-O 3.13Å; N109-V111 PolarHBondContact O-N 3.43Å; N109-V111 PolarHBondContact OD1-N 3.49Å; V111-D150 WeakPolarHBondContact CG2-O 3.37Å
112T89.8Confident93.2Very high51 Ų5122 Ų2231%0.31313%0.13SC..SBendtrans-126.5162.4-175.258.80000111.3H69 N109 L114H69-T112 PolarHBondContact ND1-O 3.37Å; N109-T112 WeakPolarHBondContact CB-OG1 3.48Å; N109-T112 PolarHBondContact OD1-N 3.28Å; N109-T112 PolarHBondContact OD1-OG1 3.06Å; N109-T112 VanDerWaalsContact OD1-OG1 3.08Å; T112-L114 PolarHBondContact O-N 3.16Å; T112-L114 WeakPolarHBondContact OG1-CB 3.17Å
113V89.4Confident93.2Very high45 Ų4520.5 Ų20.527%0.27312%0.12SC..SBendtrans-83.944.7176-166.60000110.3A68 I73 F108A68-V113 HydrophobicContact CB-CG1 4.19Å; I73-V113 HydrophobicContact CD1-CG1 3.51Å; I73-V113 HydrophobicContact CG1-CG1 4.03Å; F108-V113 HydrophobicContact CE1-CG1 4.29Å
114L91.5Very high93Very high23 Ų2320.5 Ų20.512%0.1212%0.12CC..PPolyproline II helixtrans-97.2124.2176.4-176.774.3000108.3F108 N109 T112 F125 T127 W147F108-L114 WeakPolarHBondContact CA-O 3.47Å; N109-L114 HydrophobicContact CB-CB 3.87Å; N109-L114 WeakPolarHBondContact CB-O 3.44Å; N109-L114 PolarHBondContact N-O 3.28Å; T112-L114 PolarHBondContact O-N 3.16Å; T112-L114 WeakPolarHBondContact OG1-CB 3.17Å; L114-F125 HydrophobicContact CD1-CB 3.87Å; L114-F125 HydrophobicContact CD1-CG 4.48Å; L114-F125 HydrophobicContact CD2-CD1 4.36Å; L114-F125 HydrophobicContact CD2-CG 4.34Å; L114-F125 HydrophobicContact CG-CB 4.34Å; L114-F125 HydrophobicContact CG-CD1 4.49Å; L114-T127 HydrophobicContact CD1-CG2 3.33Å; L114-W147 HydrophobicContact CD2-CH2 3.84Å; L114-W147 HydrophobicContact CD2-CZ2 3.94Å
115L93.4Very high92.9Very high0 Ų019.7 Ų19.70%012%0.116CC..EExtended strand (participates in β ladder)trans-100.8127.8176.6178.264.7000110.1A66 V83 I85 L106 F108 F125 W126A66-L115 HydrophobicContact CB-CD1 4.4Å; V83-L115 HydrophobicContact CG1-CD2 3.95Å; I85-L115 HydrophobicContact CD1-CD2 3.45Å; I85-L115 VanDerWaalsContact CD1-CD2 3.45Å; L106-L115 HydrophobicContact CB-CD1 4.33Å; L106-L115 HydrophobicContact CD2-CD1 4.06Å; L106-L115 HydrophobicContact CD2-CD2 4.06Å; L106-L115 HydrophobicContact CD2-CG 4.13Å; F108-L115 HydrophobicContact CD1-CB 3.98Å; F108-L115 HydrophobicContact CD1-CD1 4.23Å; F108-L115 HydrophobicContact CD2-CD1 3.73Å; F108-L115 HydrophobicContact CE1-CB 3.72Å; F108-L115 HydrophobicContact CE1-CD1 4.21Å; F108-L115 HydrophobicContact CE1-CG 4.41Å; F108-L115 HydrophobicContact CE2-CD1 3.7Å; F108-L115 HydrophobicContact CG-CD1 4.01Å; F108-L115 HydrophobicContact CZ-CB 4.1Å; F108-L115 HydrophobicContact CZ-CD1 3.96Å; F108-L115 HydrophobicContact CZ-CD2 4.2Å; F108-L115 HydrophobicContact CZ-CG 4.33Å; L115-F125 CarbonylContact O-C 3.54Å; L115-F125 WeakPolarHBondContact O-CA 3.17Å; L115-W126 HydrophobicContact CB-CB 4.21Å; L115-W126 HydrophobicContact CB-CD2 4.49Å; L115-W126 HydrophobicContact CB-CE3 3.65Å; L115-W126 HydrophobicContact CB-CZ3 4.49Å; L115-W126 HydrophobicContact CD2-CE3 4.09Å; L115-W126 PolarHBondContact N-O 2.86Å; L115-W126 PolarHBondContact O-N 2.94Å
116A94.3Very high92.6Very high0 Ų019.2 Ų19.20%011%0.112CC..EExtended strand (participates in β ladder)trans-87.7125.4164.600000109.4L106 E107 F125 W147 L154L106-A116 WeakPolarHBondContact CA-O 3.34Å; E107-A116 PolarHBondContact N-O 2.96Å; E107-A116 WeakPolarHBondContact O-CB 3.4Å; E107-A116 PolarHBondContact O-N 3.45Å; A116-F125 HydrophobicContact CB-CD1 3.99Å; A116-F125 HydrophobicContact CB-CE1 3.82Å; A116-W147 HydrophobicContact CB-CZ2 4.09Å; A116-L154 HydrophobicContact CB-CD1 4.15Å; A116-L154 HydrophobicContact CB-CD2 3.77Å
117S94.4Very high92.1Very high2 Ų220.3 Ų20.31%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-122.7124.8174.457.30000111.2H99 F123 G124H99-S117 PolarHBondContact CE1-O 2.83Å; H99-S117 PolarHBondContact CE1-OG 2.97Å; H99-S117 PolarHBondContact NE2-OG 3.23Å; S117-F123 CarbonylContact O-C 3.55Å; S117-F123 WeakPolarHBondContact O-CA 3.39Å; S117-F123 WeakPolarHBondContact O-CB 3.22Å; S117-G124 PolarHBondContact N-O 3.13Å; S117-G124 PolarHBondContact O-N 3.16Å; S117-G124 PolarHBondContact OG-O 3.49Å
118T94.5Very high91.4Very high0 Ų023.4 Ų23.40%014%0.135CC..EExtended strand (participates in β ladder)trans-109.7121.2178.663.80000109.8I103 Q104 C105 F123 P142 C145I103-T118 CarbonylContact C-O 3.56Å; I103-T118 WeakPolarHBondContact CA-O 3.4Å; I103-T118 WeakPolarHBondContact CG2-O 3.33Å; Q104-T118 PolarHBondContact N-O 2.95Å; C105-T118 PolarHBondContact N-OG1 2.76Å; C105-T118 PolarHBondContact O-N 3.45Å; C105-T118 PolarHBondContact O-OG1 3.41Å; C105-T118 PolarHBondContact SG-OG1 3.36Å; T118-F123 HydrophobicContact CG2-CB 3.87Å; T118-P142 HydrophobicContact CG2-CB 4.15Å; T118-P142 HydrophobicContact CG2-CG 4.48Å; T118-C145 HydrophobicContact CG2-CB 4.49Å
119G93.8Very high90.8Very high0 Ų030.2 Ų30.20%017%0.172CC..EExtended strand (participates in β ladder)trans-85.8179.5162.600000110.9S102 T121 D122 P142S102-G119 CarbonylContact O-C 3.59Å; S102-G119 WeakPolarHBondContact O-CA 3.15Å; G119-T121 VanDerWaalsContact C-N 3.26Å; G119-T121 PolarHBondContact O-N 3.42Å; G119-D122 CarbonylContact C-O 3.48Å; G119-D122 WeakPolarHBondContact CA-O 3.47Å; G119-D122 WeakPolarHBondContact CA-OD1 3.12Å; G119-D122 PolarHBondContact N-O 3.21Å; G119-P142 VanDerWaalsContact O-CD 3.22Å; G119-P142 WeakPolarHBondContact O-CD 3.31Å; G119-P142 WeakPolarHBondContact O-CG 3.45Å
120S93.7Very high90.1Very high12 Ų1235.5 Ų35.58%0.08420%0.197CC..SBendtrans-68.6-21.2179.3-70.90000114.4E101 S102 Q104 R141E101-S120 WeakPolarHBondContact OE2-CB 3.38Å; S102-S120 PolarHBondContact O-N 2.88Å; S102-S120 PolarHBondContact O-OG 3.14Å; S102-S120 PolarHBondContact OG-OG 3.32Å; Q104-S120 PolarHBondContact NE2-OG 3.26Å; S120-R141 WeakPolarHBondContact O-CA 3.37Å
121T93.3Very high89.2Confident57 Ų5741.4 Ų41.435%0.3522%0.217SC..SBendtrans-130.3-9.1-178.552.30000113.9T100 G119 I138T100-T121 PolarHBondContact OG1-OG1 3.45Å; G119-T121 VanDerWaalsContact C-N 3.26Å; G119-T121 PolarHBondContact O-N 3.42Å; T121-I138 PolarHBondContact O-N 2.98Å; T121-I138 VanDerWaalsContact O-N 3.07Å
122D93.4Very high88.5Confident5 Ų541.7 Ų41.73%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-137.8161.4-177.15814.7000111.5H99 T100 G119 K135 T136H99-D122 IonicContact CE1-OD1 2.7Å; H99-D122 IonicContact CG-OD1 3.73Å; H99-D122 IonicContact ND1-OD1 2.7Å; H99-D122 PolarHBondContact ND1-OD1 2.91Å; H99-D122 IonicContact ND1-OD2 3.21Å; T100-D122 WeakPolarHBondContact CG2-OD2 3.15Å; T100-D122 PolarHBondContact N-OD2 3.47Å; T100-D122 VanDerWaalsContact OG1-CG 3.28Å; T100-D122 PolarHBondContact OG1-OD2 3.12Å; G119-D122 CarbonylContact C-O 3.48Å; G119-D122 WeakPolarHBondContact CA-O 3.47Å; G119-D122 WeakPolarHBondContact CA-OD1 3.12Å; G119-D122 PolarHBondContact N-O 3.21Å; D122-K135 HydrophobicContact CB-CB 4.27Å; D122-T136 CarbonylContact C-O 3.55Å; D122-T136 VanDerWaalsContact CA-O 3.25Å; D122-T136 WeakPolarHBondContact CA-O 3.23Å
123F93.9Very high87.9Confident0 Ų040.3 Ų40.30%021%0.214CC..EExtended strand (participates in β ladder)trans-134.4162.5160.877.7-66.4000110.1S117 T118 F125 K135 T136 I138 I156 R166 T170S117-F123 CarbonylContact O-C 3.55Å; S117-F123 WeakPolarHBondContact O-CA 3.39Å; S117-F123 WeakPolarHBondContact O-CB 3.22Å; T118-F123 HydrophobicContact CG2-CB 3.87Å; F123-F125 HydrophobicContact CE2-CE2 4.47Å; F123-F125 HydrophobicContact CE2-CZ 4.12Å; F123-K135 CarbonylContact O-C 3.58Å; F123-K135 WeakPolarHBondContact O-CA 3.41Å; F123-T136 HydrophobicContact CD1-CG2 4.4Å; F123-T136 WeakPolarHBondContact CD1-O 3.28Å; F123-T136 HydrophobicContact CE1-CG2 3.68Å; F123-T136 HydrophobicContact CZ-CG2 4.29Å; F123-T136 PolarHBondContact N-O 2.83Å; F123-T136 PolarHBondContact O-N 2.86Å; F123-I138 HydrophobicContact CB-CD1 3.7Å; F123-I138 HydrophobicContact CD1-CD1 3.36Å; F123-I138 HydrophobicContact CD1-CG1 3.45Å; F123-I138 VanDerWaalsContact CD1-CG1 3.45Å; F123-I138 HydrophobicContact CE1-CD1 4.2Å; F123-I138 HydrophobicContact CE1-CG1 4.01Å; F123-I138 HydrophobicContact CG-CD1 3.8Å; F123-I138 HydrophobicContact CG-CG1 4.37Å; F123-I156 HydrophobicContact CD1-CD1 4.36Å; F123-I156 HydrophobicContact CD2-CD1 3.86Å; F123-I156 HydrophobicContact CE1-CD1 4.46Å; F123-I156 HydrophobicContact CE2-CD1 4.03Å; F123-I156 HydrophobicContact CG-CD1 4.02Å; F123-I156 HydrophobicContact CZ-CD1 4.3Å; F123-R166 HydrophobicContact CZ-CB 4.46Å; F123-R166 HydrophobicContact CZ-CG 4.02Å; F123-T170 HydrophobicContact CE2-CG2 4.03Å; F123-T170 HydrophobicContact CZ-CG2 4.09Å
124G91.5Very high87.5Confident0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-156.4164175.900000112S117 V134S117-G124 PolarHBondContact N-O 3.13Å; S117-G124 PolarHBondContact O-N 3.16Å; S117-G124 PolarHBondContact OG-O 3.49Å; G124-V134 VanDerWaalsContact CA-O 3.26Å; G124-V134 WeakPolarHBondContact CA-O 3.4Å
125F91.6Very high87.3Confident23 Ų2346.2 Ų46.210%0.10124%0.243CC..EExtended strand (participates in β ladder)trans-104.6140.2172.5-63.3-47.9000110.8L114 L115 A116 F123 W147 L154 K168 T170L114-F125 HydrophobicContact CD1-CB 3.87Å; L114-F125 HydrophobicContact CD1-CG 4.48Å; L114-F125 HydrophobicContact CD2-CD1 4.36Å; L114-F125 HydrophobicContact CD2-CG 4.34Å; L114-F125 HydrophobicContact CG-CB 4.34Å; L114-F125 HydrophobicContact CG-CD1 4.49Å; L115-F125 CarbonylContact O-C 3.54Å; L115-F125 WeakPolarHBondContact O-CA 3.17Å; A116-F125 HydrophobicContact CB-CD1 3.99Å; A116-F125 HydrophobicContact CB-CE1 3.82Å; F123-F125 HydrophobicContact CE2-CE2 4.47Å; F123-F125 HydrophobicContact CE2-CZ 4.12Å; F125-W147 HydrophobicContact CD1-CH2 4.33Å; F125-W147 AromaticContact CD1-CZ2 3.97Å; F125-W147 HydrophobicContact CD1-CZ2 3.97Å; F125-W147 AromaticContact CE1-CH2 3.58Å; F125-W147 HydrophobicContact CE1-CH2 3.58Å; F125-W147 AromaticContact CE1-CZ2 3.39Å; F125-W147 HydrophobicContact CE1-CZ2 3.39Å; F125-W147 AromaticContact CZ-CH2 3.72Å; F125-W147 HydrophobicContact CZ-CH2 3.72Å; F125-W147 HydrophobicContact CZ-CZ2 4.04Å; F125-L154 HydrophobicContact CE1-CD2 3.91Å; F125-L154 HydrophobicContact CZ-CD2 4.24Å; F125-K168 WeakPolarHBondContact CD2-O 3.42Å; F125-K168 VanDerWaalsContact CE2-O 3.27Å; F125-K168 WeakPolarHBondContact CE2-O 3.03Å; F125-T170 HydrophobicContact CD2-CG2 3.68Å; F125-T170 HydrophobicContact CE2-CG2 3.52Å; F125-T170 HydrophobicContact CZ-CG2 4.49Å
126W88.1Confident87.2Confident3 Ų347.7 Ų47.71%0.01125%0.252CS..EExtended strand (participates in β ladder)trans-120.6136.8177.1170.874.9000111I73 I85 L95 Y97 F108 L115 M128 V133I73-W126 HydrophobicContact CD1-CH2 3.66Å; I73-W126 HydrophobicContact CD1-CZ3 3.64Å; I85-W126 HydrophobicContact CB-CH2 4.22Å; I85-W126 HydrophobicContact CB-CZ2 4.43Å; I85-W126 HydrophobicContact CD1-CD2 4.2Å; I85-W126 HydrophobicContact CD1-CE3 3.89Å; I85-W126 HydrophobicContact CD1-CH2 4.05Å; I85-W126 HydrophobicContact CD1-CZ2 4.41Å; I85-W126 HydrophobicContact CD1-CZ3 3.81Å; I85-W126 HydrophobicContact CG1-CD2 4.26Å; I85-W126 HydrophobicContact CG1-CE3 4.27Å; I85-W126 HydrophobicContact CG1-CH2 3.71Å; I85-W126 HydrophobicContact CG1-CZ2 3.75Å; I85-W126 HydrophobicContact CG1-CZ3 4Å; I85-W126 HydrophobicContact CG2-CH2 3.68Å; I85-W126 HydrophobicContact CG2-CZ2 4.31Å; I85-W126 HydrophobicContact CG2-CZ3 4.23Å; L95-W126 HydrophobicContact CD1-CZ2 3.9Å; Y97-W126 AromaticContact CD2-CD1 3.8Å; Y97-W126 HydrophobicContact CD2-CG 4.37Å; Y97-W126 AromaticContact CD2-NE1 3.89Å; Y97-W126 AromaticContact CE1-CD1 3.54Å; Y97-W126 AromaticContact CE1-NE1 3.63Å; Y97-W126 AromaticContact CE2-CD1 3.34Å; Y97-W126 HydrophobicContact CE2-CD2 4.28Å; Y97-W126 AromaticContact CE2-CE2 3.55Å; Y97-W126 HydrophobicContact CE2-CG 4.13Å; Y97-W126 HydrophobicContact CE2-CZ2 4.17Å; Y97-W126 AromaticContact CE2-NE1 2.98Å; Y97-W126 AromaticContact CZ-CD1 3.23Å; Y97-W126 AromaticContact CZ-CE2 3.83Å; Y97-W126 AromaticContact CZ-NE1 2.84Å; Y97-W126 PolarHBondContact OH-NE1 3.4Å; F108-W126 HydrophobicContact CE1-CE3 4.48Å; F108-W126 HydrophobicContact CE1-CZ3 4.1Å; F108-W126 HydrophobicContact CZ-CZ3 4.37Å; L115-W126 HydrophobicContact CB-CB 4.21Å; L115-W126 HydrophobicContact CB-CD2 4.49Å; L115-W126 HydrophobicContact CB-CE3 3.65Å; L115-W126 HydrophobicContact CB-CZ3 4.49Å; L115-W126 HydrophobicContact CD2-CE3 4.09Å; L115-W126 PolarHBondContact N-O 2.86Å; L115-W126 PolarHBondContact O-N 2.94Å; W126-M128 HydrophobicContact CH2-CB 4.43Å; W126-M128 HydrophobicContact CH2-CG 3.52Å; W126-M128 HydrophobicContact CH2-SD 3.46Å; W126-M128 WeakPolarHBondContact CH2-SD 3.33Å; W126-M128 HydrophobicContact CZ2-CB 4.41Å; W126-M128 HydrophobicContact CZ2-CG 3.91Å; W126-M128 HydrophobicContact CZ2-SD 3.71Å; W126-M128 HydrophobicContact CZ3-CG 4.35Å; W126-V133 HydrophobicContact CB-CG2 3.96Å; W126-V133 HydrophobicContact CG-CG2 4.45Å
127T86.9Confident87Confident35 Ų3556.6 Ų56.622%0.21529%0.291CS..  trans-127.6153.4169.459.70000109.9L114 D129 Q130L114-T127 HydrophobicContact CD1-CG2 3.33Å; T127-D129 PolarHBondContact O-N 3.48Å; T127-D129 VanDerWaalsContact O-N 3.17Å; T127-Q130 PolarHBondContact O-N 3.04Å; T127-Q130 WeakPolarHBondContact OG1-CB 3.37Å; T127-Q130 PolarHBondContact OG1-N 3.34Å
128M80.5Confident86.8Confident89 Ų8957.6 Ų57.644%0.43830%0.296SS..THydrogen-bonded Turntrans-55.8-32.3176.4-77.4-80.1-77.400113I73 L95 W126I73-M128 HydrophobicContact CD1-CG 4.37Å; I73-M128 HydrophobicContact CD1-SD 4.32Å; L95-M128 HydrophobicContact CD1-SD 4.28Å; W126-M128 HydrophobicContact CH2-CB 4.43Å; W126-M128 HydrophobicContact CH2-CG 3.52Å; W126-M128 HydrophobicContact CH2-SD 3.46Å; W126-M128 WeakPolarHBondContact CH2-SD 3.33Å; W126-M128 HydrophobicContact CZ2-CB 4.41Å; W126-M128 HydrophobicContact CZ2-CG 3.91Å; W126-M128 HydrophobicContact CZ2-SD 3.71Å; W126-M128 HydrophobicContact CZ3-CG 4.35Å
129D81.4Confident86.5Confident154 Ų15461.8 Ų61.882%0.82433%0.325SS*.THydrogen-bonded Turntrans-78.5-27.1-176.6-55.6-40.4000112.6T127T127-D129 PolarHBondContact O-N 3.48Å; T127-D129 VanDerWaalsContact O-N 3.17Å
130Q78.9Confident86.5Confident110 Ų11062.9 Ų62.951%0.51433%0.334SS..  trans-102.5111-177.3-64.9-174.70.600111.7T127 S132T127-Q130 PolarHBondContact O-N 3.04Å; T127-Q130 WeakPolarHBondContact OG1-CB 3.37Å; T127-Q130 PolarHBondContact OG1-N 3.34Å; Q130-S132 PolarHBondContact O-N 3.33Å
131K69.7Low86.5Confident180 Ų18067 Ų6778%0.78335%0.348SS*.SBendtrans-74.6-6178.3-68.2-175.5-178.3177.10114.5Y97Y97-K131 WeakPolarHBondContact CE1-O 3.48Å
132S74Confident86.6Confident86 Ų8664.3 Ų64.360%0.60133%0.331SS*.SBendtrans-125.5136.1175.355.30000110Q130Q130-S132 PolarHBondContact O-N 3.33Å
133V77.5Confident86.6Confident22 Ų2265.2 Ų65.213%0.13334%0.337CS..  trans-91.4125174.6175.80000108.7Y97 W126Y97-V133 HydrophobicContact CD1-CG2 3.8Å; Y97-V133 HydrophobicContact CE1-CG2 4.44Å; Y97-V133 HydrophobicContact CG-CG2 4.12Å; W126-V133 HydrophobicContact CB-CG2 3.96Å; W126-V133 HydrophobicContact CG-CG2 4.45Å
134V81.8Confident86.7Confident103 Ų10365.3 Ų65.362%0.62434%0.338SS*.EExtended strand (participates in β ladder)trans-74125.3169.3-179.90000108G124G124-V134 VanDerWaalsContact CA-O 3.26Å; G124-V134 WeakPolarHBondContact CA-O 3.4Å
135K86.7Confident86.9Confident90 Ų9065.7 Ų65.739%0.39134%0.341SS..EExtended strand (participates in β ladder)trans-104.6118.5-174-62.5170-176.5-179.40110.1M98 T100 D122 F123M98-K135 WeakPolarHBondContact O-CE 3.22Å; M98-K135 PolarHBondContact O-NZ 3.45Å; T100-K135 HydrophobicContact CG2-CD 4.44Å; D122-K135 HydrophobicContact CB-CB 4.27Å; F123-K135 CarbonylContact O-C 3.58Å; F123-K135 WeakPolarHBondContact O-CA 3.41Å
136T90.7Very high87Confident31 Ų3164.7 Ų64.719%0.1934%0.336CS..EExtended strand (participates in β ladder)trans-102.1129.1176-55.60000108.8D122 F123 T170D122-T136 CarbonylContact C-O 3.55Å; D122-T136 VanDerWaalsContact CA-O 3.25Å; D122-T136 WeakPolarHBondContact CA-O 3.23Å; F123-T136 HydrophobicContact CD1-CG2 4.4Å; F123-T136 WeakPolarHBondContact CD1-O 3.28Å; F123-T136 HydrophobicContact CE1-CG2 3.68Å; F123-T136 HydrophobicContact CZ-CG2 4.29Å; F123-T136 PolarHBondContact N-O 2.83Å; F123-T136 PolarHBondContact O-N 2.86Å; T136-T170 PolarHBondContact OG1-OG1 3.41Å
137K91Very high87.3Confident187 Ų18765 Ų6581%0.81334%0.337SS*.EExtended strand (participates in β ladder)trans-71.5144.4179.1-73.3-176178179.30111.1
138I90.4Very high87.5Confident23 Ų2363.9 Ų63.912%0.11833%0.33CS..  trans-116.6151.7176.7-59.5177.4000109.8T121 F123 A140 P142 I156 L158T121-I138 PolarHBondContact O-N 2.98Å; T121-I138 VanDerWaalsContact O-N 3.07Å; F123-I138 HydrophobicContact CB-CD1 3.7Å; F123-I138 HydrophobicContact CD1-CD1 3.36Å; F123-I138 HydrophobicContact CD1-CG1 3.45Å; F123-I138 VanDerWaalsContact CD1-CG1 3.45Å; F123-I138 HydrophobicContact CE1-CD1 4.2Å; F123-I138 HydrophobicContact CE1-CG1 4.01Å; F123-I138 HydrophobicContact CG-CD1 3.8Å; F123-I138 HydrophobicContact CG-CG1 4.37Å; I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 VanDerWaalsContact CG2-O 3.27Å; I138-A140 WeakPolarHBondContact CG2-O 3.34Å; I138-A140 PolarHBondContact O-N 3.02Å; I138-P142 HydrophobicContact CD1-CG 3.49Å; I138-P142 VanDerWaalsContact CD1-CG 3.49Å; I138-P142 HydrophobicContact CG2-CG 4.49Å; I138-I156 HydrophobicContact CD1-CD1 4.25Å; I138-I156 HydrophobicContact CD1-CG2 4.49Å; I138-L158 HydrophobicContact CG2-CD1 3.76Å; I138-L158 HydrophobicContact CG2-CD2 3.51Å; I138-L158 HydrophobicContact CG2-CG 4.32Å
139S88.2Confident87.9Confident87 Ų8760.6 Ų60.661%0.60832%0.315SS*.SBendtrans-67.6-24.4-178.757.20000115.4L158S139-L158 WeakPolarHBondContact OG-CD1 3.48Å
140A92.5Very high88.1Confident23 Ų2355.7 Ų55.719%0.1929%0.289CS..SBendtrans-155.5169.1-179.700000110.4I138 P142 L158 N160I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 VanDerWaalsContact CG2-O 3.27Å; I138-A140 WeakPolarHBondContact CG2-O 3.34Å; I138-A140 PolarHBondContact O-N 3.02Å; A140-P142 VanDerWaalsContact O-CD 3.27Å; A140-P142 WeakPolarHBondContact O-CD 3.43Å; A140-L158 HydrophobicContact CB-CB 4.26Å; A140-L158 HydrophobicContact CB-CD1 4.49Å; A140-N160 HydrophobicContact CB-CB 4.07Å
141R94.6Very high88.6Confident99 Ų9950.4 Ų50.437%0.37427%0.265SS..  trans-61.1120.2-177.9-173.4177.172.8-179.12.2111.8Q104 S120 Y159Q104-R141 HydrophobicContact CG-CG 4.23Å; S120-R141 WeakPolarHBondContact O-CA 3.37Å; R141-Y159 VanDerWaalsContact NH2-CD2 3.35Å; R141-Y159 WeakPolarHBondContact O-CB 3.25Å; R141-Y159 PolarHBondContact O-N 2.78Å
142P95.3Very high89.5Confident0 Ų046.8 Ų46.80%025%0.251CS..EExtended strand (participates in β ladder)trans-65.5138.4169.9-20.634.9000111.3Q104 T118 G119 I138 A140 I156 G157 L158Q104-P142 VanDerWaalsContact CB-O 3.25Å; Q104-P142 WeakPolarHBondContact CB-O 3.45Å; Q104-P142 WeakPolarHBondContact CG-O 3.43Å; T118-P142 HydrophobicContact CG2-CB 4.15Å; T118-P142 HydrophobicContact CG2-CG 4.48Å; G119-P142 VanDerWaalsContact O-CD 3.22Å; G119-P142 WeakPolarHBondContact O-CD 3.31Å; G119-P142 WeakPolarHBondContact O-CG 3.45Å; I138-P142 HydrophobicContact CD1-CG 3.49Å; I138-P142 VanDerWaalsContact CD1-CG 3.49Å; I138-P142 HydrophobicContact CG2-CG 4.49Å; A140-P142 VanDerWaalsContact O-CD 3.27Å; A140-P142 WeakPolarHBondContact O-CD 3.43Å; P142-I156 HydrophobicContact CB-CG2 3.88Å; P142-I156 HydrophobicContact CG-CG2 4.34Å; P142-G157 WeakPolarHBondContact CA-O 3.43Å; P142-L158 HydrophobicContact CB-CD2 4.29Å; P142-L158 HydrophobicContact CG-CD2 4.17Å
143T94.4Very high90.5Very high24 Ų2444.4 Ų44.415%0.14723%0.23CC..EExtended strand (participates in β ladder)trans-110.7-31.8176.351.60000111.7G157 Y159 I183 T184T143-G157 PolarHBondContact N-O 3.39Å; T143-G157 PolarHBondContact OG1-O 2.64Å; T143-Y159 HydrophobicContact CG2-CD2 4.13Å; T143-I183 HydrophobicContact CG2-CG2 4.4Å; T143-T184 WeakPolarHBondContact CB-O 3.4Å; T143-T184 PolarHBondContact OG1-O 3.3Å
144C94.7Very high91.3Very high3 Ų343.4 Ų43.42%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-155.2157.4-175.254.50000110.8C105 G157 W185 H186C105-C144 VanDerWaalsContact SG-CA 3.5Å; C144-G157 PolarHBondContact O-N 3.32Å; C144-W185 WeakPolarHBondContact CB-O 3.18Å; C144-W185 PolarHBondContact SG-O 2.72Å; C144-H186 WeakPolarHBondContact SG-CA 3.47Å
145C95.3Very high92Very high8 Ų838.5 Ų38.55%0.05419%0.193CC..EExtended strand (participates in β ladder)trans-141.2147.2170.9640000110.3C105 T118 L154 A155 I156C105-C145 PolarHBondContact SG-N 3.05Å; C105-C145 VanDerWaalsContact SG-N 3.36Å; C105-C145 PolarHBondContact SG-SG 3.43Å; T118-C145 HydrophobicContact CG2-CB 4.49Å; C145-L154 HydrophobicContact CB-CD1 4.04Å; C145-L154 HydrophobicContact CB-CG 4.47Å; C145-A155 CarbonylContact C-O 3.56Å; C145-A155 WeakPolarHBondContact CA-O 3.44Å; C145-I156 HydrophobicContact CB-CG1 4.45Å
146S95.1Very high92.4Very high1 Ų134.2 Ų34.21%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-139.9128.1174.4-170.10000110.5E107 A155 L187 K188 W189E107-S146 WeakPolarHBondContact OE1-CA 3.38Å; E107-S146 WeakPolarHBondContact OE2-CA 3.44Å; E107-S146 PolarHBondContact OE2-N 2.78Å; S146-A155 PolarHBondContact N-O 3.47Å; S146-A155 PolarHBondContact O-N 3.26Å; S146-L187 VanDerWaalsContact CB-CD1 3.44Å; S146-K188 WeakPolarHBondContact OG-CA 3.22Å; S146-W189 PolarHBondContact O-NE1 3.45Å; S146-W189 PolarHBondContact OG-N 2.85Å
147W93.6Very high92.7Very high9 Ų932.8 Ų32.83%0.03417%0.166CC..EExtended strand (participates in β ladder)trans-78.2143.4167.7-76.6100.2000110.9E107 F108 N109 P110 L114 A116 F125 G151 L154 K168 W189E107-W147 PolarHBondContact O-NE1 2.9Å; E107-W147 PolarHBondContact OE1-N 3.17Å; E107-W147 VanDerWaalsContact OE2-CD1 3.3Å; E107-W147 PolarHBondContact OE2-N 2.75Å; F108-W147 VanDerWaalsContact C-CD1 3.5Å; F108-W147 VanDerWaalsContact O-CD1 3.28Å; N109-W147 HydrophobicContact CB-CD2 4.21Å; N109-W147 HydrophobicContact CB-CZ2 4.31Å; N109-W147 WeakPolarHBondContact ND2-CZ3 3.15Å; P110-W147 VanDerWaalsContact CD-CB 3.44Å; P110-W147 HydrophobicContact CG-CB 4.2Å; L114-W147 HydrophobicContact CD2-CH2 3.84Å; L114-W147 HydrophobicContact CD2-CZ2 3.94Å; A116-W147 HydrophobicContact CB-CZ2 4.09Å; F125-W147 HydrophobicContact CD1-CH2 4.33Å; F125-W147 AromaticContact CD1-CZ2 3.97Å; F125-W147 HydrophobicContact CD1-CZ2 3.97Å; F125-W147 AromaticContact CE1-CH2 3.58Å; F125-W147 HydrophobicContact CE1-CH2 3.58Å; F125-W147 AromaticContact CE1-CZ2 3.39Å; F125-W147 HydrophobicContact CE1-CZ2 3.39Å; F125-W147 AromaticContact CZ-CH2 3.72Å; F125-W147 HydrophobicContact CZ-CH2 3.72Å; F125-W147 HydrophobicContact CZ-CZ2 4.04Å; W147-G151 WeakPolarHBondContact CZ3-O 3.3Å; W147-L154 HydrophobicContact CD2-CB 4.17Å; W147-L154 HydrophobicContact CD2-CD1 3.75Å; W147-L154 HydrophobicContact CE3-CB 3.99Å; W147-L154 HydrophobicContact CE3-CD1 4.41Å; W147-L154 HydrophobicContact CG-CD1 3.79Å; W147-L154 HydrophobicContact CH2-CB 4.17Å; W147-L154 HydrophobicContact CZ2-CB 4.36Å; W147-L154 HydrophobicContact CZ2-CD1 4.33Å; W147-L154 HydrophobicContact CZ3-CB 3.98Å; W147-K168 HydrophobicContact CZ3-CG 4.47Å; W147-W189 VanDerWaalsContact C-CD1 3.4Å; W147-W189 WeakPolarHBondContact O-CB 3.47Å
148M91.8Very high92.9Very high12 Ų1223.9 Ų23.96%0.05913%0.128CC..  trans-68.6154.1166.9-158.8167.490.100110P110 D150 G151 F153 W189 E198 L214P110-M148 WeakPolarHBondContact CG-O 3.49Å; M148-D150 VanDerWaalsContact CE-OD1 3.23Å; M148-D150 WeakPolarHBondContact CE-OD1 3.49Å; M148-D150 WeakPolarHBondContact CE-OD2 3.42Å; M148-D150 PolarHBondContact O-N 3.42Å; M148-G151 WeakPolarHBondContact O-CA 3.34Å; M148-G151 PolarHBondContact O-N 3.4Å; M148-F153 HydrophobicContact CB-CB 4.32Å; M148-F153 WeakPolarHBondContact CB-O 3.49Å; M148-F153 HydrophobicContact CE-CD2 3.52Å; M148-F153 HydrophobicContact CE-CE2 4.05Å; M148-F153 PolarHBondContact N-O 3.24Å; M148-F153 HydrophobicContact SD-CB 4.45Å; M148-F153 HydrophobicContact SD-CD2 3.94Å; M148-W189 HydrophobicContact CB-CD2 4.42Å; M148-W189 HydrophobicContact CB-CG 4.36Å; M148-W189 HydrophobicContact CG-CD2 4.22Å; M148-W189 HydrophobicContact CG-CE3 4.38Å; M148-E198 HydrophobicContact CG-CB 4.35Å; M148-E198 HydrophobicContact CG-CG 4.48Å; M148-E198 WeakPolarHBondContact CG-OE2 3.08Å; M148-L214 HydrophobicContact CE-CD2 4.36Å; M148-L214 HydrophobicContact SD-CD1 3.93Å; M148-L214 HydrophobicContact SD-CD2 4.21Å
149S87.8Confident93.1Very high20 Ų2027.5 Ų27.514%0.1414%0.14CC..THydrogen-bonded Turntrans-65-25.5-167.591.70000113.9G151 E198S149-G151 VanDerWaalsContact C-N 3.31Å; S149-E198 WeakPolarHBondContact CB-OE1 3.34Å; S149-E198 WeakPolarHBondContact CB-OE2 3.44Å; S149-E198 PolarHBondContact N-OE2 3.12Å; S149-E198 VanDerWaalsContact OG-CD 3.23Å; S149-E198 PolarHBondContact OG-OE1 3.41Å; S149-E198 PolarHBondContact OG-OE2 2.77Å
150D86.7Confident93.3Very high51 Ų5126 Ų2627%0.27313%0.126SC..THydrogen-bonded Turntrans-81.5-8.3173.569.2-3.2000113.9V111 M148 Q152V111-D150 WeakPolarHBondContact CG2-O 3.37Å; M148-D150 VanDerWaalsContact CE-OD1 3.23Å; M148-D150 WeakPolarHBondContact CE-OD1 3.49Å; M148-D150 WeakPolarHBondContact CE-OD2 3.42Å; M148-D150 PolarHBondContact O-N 3.42Å; D150-Q152 VanDerWaalsContact C-N 3.28Å; D150-Q152 HydrophobicContact CB-CG 4.39Å; D150-Q152 PolarHBondContact O-N 3.45Å; D150-Q152 PolarHBondContact OD1-N 3.31Å; D150-Q152 WeakPolarHBondContact OD2-CG 3.49Å
151G88.7Confident93.2Very high0 Ų025 Ų250%012%0.117CC..SBendtrans67.518.9-176.900000114.7N109 W147 M148 S149 K168N109-G151 WeakPolarHBondContact ND2-CA 3.5Å; N109-G151 PolarHBondContact ND2-O 2.84Å; W147-G151 WeakPolarHBondContact CZ3-O 3.3Å; M148-G151 WeakPolarHBondContact O-CA 3.34Å; M148-G151 PolarHBondContact O-N 3.4Å; S149-G151 VanDerWaalsContact C-N 3.31Å; G151-K168 WeakPolarHBondContact O-CE 3.41Å
152Q89.7Confident93.2Very high104 Ų10420.6 Ų20.649%0.48610%0.101SC..SBendtrans-85.5-40.8178.9-66.5-171.26.800112.8D150D150-Q152 VanDerWaalsContact C-N 3.28Å; D150-Q152 HydrophobicContact CB-CG 4.39Å; D150-Q152 PolarHBondContact O-N 3.45Å; D150-Q152 PolarHBondContact OD1-N 3.31Å; D150-Q152 WeakPolarHBondContact OD2-CG 3.49Å
153F93.2Very high93.2Very high36 Ų3620.6 Ų20.616%0.15810%0.101CC..EExtended strand (participates in β ladder)trans-116.9141.2-176.4-57.1-81000112M148 I165 R166 N167 V173 L214M148-F153 HydrophobicContact CB-CB 4.32Å; M148-F153 WeakPolarHBondContact CB-O 3.49Å; M148-F153 HydrophobicContact CE-CD2 3.52Å; M148-F153 HydrophobicContact CE-CE2 4.05Å; M148-F153 PolarHBondContact N-O 3.24Å; M148-F153 HydrophobicContact SD-CB 4.45Å; M148-F153 HydrophobicContact SD-CD2 3.94Å; F153-I165 HydrophobicContact CB-CG2 3.96Å; F153-I165 HydrophobicContact CD1-CG2 4.35Å; F153-I165 HydrophobicContact CG-CG2 4.43Å; F153-R166 CarbonylContact C-O 3.49Å; F153-R166 VanDerWaalsContact CA-O 3.31Å; F153-R166 WeakPolarHBondContact CA-O 3.26Å; F153-N167 HydrophobicContact CD1-CB 4.44Å; F153-N167 HydrophobicContact CE1-CB 4.42Å; F153-V173 HydrophobicContact CD1-CG2 4.33Å; F153-V173 HydrophobicContact CE1-CB 4.46Å; F153-V173 HydrophobicContact CE1-CG1 4.29Å; F153-V173 HydrophobicContact CE1-CG2 4.05Å; F153-L214 HydrophobicContact CB-CD1 4.19Å; F153-L214 HydrophobicContact CD1-CD1 4.43Å; F153-L214 HydrophobicContact CD2-CD1 3.88Å; F153-L214 HydrophobicContact CD2-CD2 4.02Å; F153-L214 HydrophobicContact CE2-CD1 4.39Å; F153-L214 HydrophobicContact CE2-CD2 3.8Å; F153-L214 HydrophobicContact CG-CD1 3.9Å; F153-L214 HydrophobicContact CZ-CD2 4.37Å
154L95.1Very high93.3Very high0 Ų019.5 Ų19.50%010%0.095CC..EExtended strand (participates in β ladder)trans-111.8122.7172.6-18075.4000108.9A116 F125 C145 W147 I156 I165 R166A116-L154 HydrophobicContact CB-CD1 4.15Å; A116-L154 HydrophobicContact CB-CD2 3.77Å; F125-L154 HydrophobicContact CE1-CD2 3.91Å; F125-L154 HydrophobicContact CZ-CD2 4.24Å; C145-L154 HydrophobicContact CB-CD1 4.04Å; C145-L154 HydrophobicContact CB-CG 4.47Å; W147-L154 HydrophobicContact CD2-CB 4.17Å; W147-L154 HydrophobicContact CD2-CD1 3.75Å; W147-L154 HydrophobicContact CE3-CB 3.99Å; W147-L154 HydrophobicContact CE3-CD1 4.41Å; W147-L154 HydrophobicContact CG-CD1 3.79Å; W147-L154 HydrophobicContact CH2-CB 4.17Å; W147-L154 HydrophobicContact CZ2-CB 4.36Å; W147-L154 HydrophobicContact CZ2-CD1 4.33Å; W147-L154 HydrophobicContact CZ3-CB 3.98Å; L154-I156 HydrophobicContact CD2-CD1 3.92Å; L154-I156 HydrophobicContact CD2-CG1 3.82Å; L154-I156 HydrophobicContact CG-CG1 4.05Å; L154-I165 CarbonylContact O-C 3.48Å; L154-I165 WeakPolarHBondContact O-CA 3.25Å; L154-R166 PolarHBondContact N-O 2.96Å; L154-R166 PolarHBondContact O-N 3.3Å
155A96.1Very high93.3Very high0 Ų019.4 Ų19.40%09%0.094CC..EExtended strand (participates in β ladder)trans-89.8133.116800000110C145 S146 S164 I165 L187 W189 L200C145-A155 CarbonylContact C-O 3.56Å; C145-A155 WeakPolarHBondContact CA-O 3.44Å; S146-A155 PolarHBondContact N-O 3.47Å; S146-A155 PolarHBondContact O-N 3.26Å; A155-S164 CarbonylContact C-O 3.52Å; A155-I165 HydrophobicContact CB-CG1 4.31Å; A155-L187 HydrophobicContact CB-CD1 3.73Å; A155-L187 HydrophobicContact CB-CD2 4.43Å; A155-W189 HydrophobicContact CB-CZ2 4.33Å; A155-W189 VanDerWaalsContact CB-NE1 3.33Å; A155-L200 HydrophobicContact CB-CD1 4.08Å; A155-L200 HydrophobicContact CB-CD2 4Å
156I96.4Very high93.2Very high1 Ų120.6 Ų20.61%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-122120.8178-53.2177.8000108.5F123 I138 P142 C145 L154 L158 I163 S164 R166F123-I156 HydrophobicContact CD1-CD1 4.36Å; F123-I156 HydrophobicContact CD2-CD1 3.86Å; F123-I156 HydrophobicContact CE1-CD1 4.46Å; F123-I156 HydrophobicContact CE2-CD1 4.03Å; F123-I156 HydrophobicContact CG-CD1 4.02Å; F123-I156 HydrophobicContact CZ-CD1 4.3Å; I138-I156 HydrophobicContact CD1-CD1 4.25Å; I138-I156 HydrophobicContact CD1-CG2 4.49Å; P142-I156 HydrophobicContact CB-CG2 3.88Å; P142-I156 HydrophobicContact CG-CG2 4.34Å; C145-I156 HydrophobicContact CB-CG1 4.45Å; L154-I156 HydrophobicContact CD2-CD1 3.92Å; L154-I156 HydrophobicContact CD2-CG1 3.82Å; L154-I156 HydrophobicContact CG-CG1 4.05Å; I156-L158 HydrophobicContact CG2-CD2 3.79Å; I156-I163 WeakPolarHBondContact O-CA 3.48Å; I156-S164 PolarHBondContact N-O 3.44Å; I156-S164 PolarHBondContact O-N 2.75Å; I156-R166 HydrophobicContact CD1-CG 4.2Å
157G95.5Very high93.1Very high0 Ų021.9 Ų21.90%010%0.104CC..EExtended strand (participates in β ladder)trans-88.8130.8175.500000110.2P142 T143 C144P142-G157 WeakPolarHBondContact CA-O 3.43Å; T143-G157 PolarHBondContact N-O 3.39Å; T143-G157 PolarHBondContact OG1-O 2.64Å; C144-G157 PolarHBondContact O-N 3.32Å
158L95.6Very high92.8Very high1 Ų126 Ų261%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-110.1151.7-177-52.9-175.6000112I138 S139 A140 P142 I156 N160 G161 V162I138-L158 HydrophobicContact CG2-CD1 3.76Å; I138-L158 HydrophobicContact CG2-CD2 3.51Å; I138-L158 HydrophobicContact CG2-CG 4.32Å; S139-L158 WeakPolarHBondContact OG-CD1 3.48Å; A140-L158 HydrophobicContact CB-CB 4.26Å; A140-L158 HydrophobicContact CB-CD1 4.49Å; P142-L158 HydrophobicContact CB-CD2 4.29Å; P142-L158 HydrophobicContact CG-CD2 4.17Å; I156-L158 HydrophobicContact CG2-CD2 3.79Å; L158-N160 VanDerWaalsContact CB-OD1 3.24Å; L158-N160 WeakPolarHBondContact CB-OD1 3.5Å; L158-N160 PolarHBondContact O-N 3.19Å; L158-N160 VanDerWaalsContact O-N 3.17Å; L158-G161 PolarHBondContact O-N 2.76Å; L158-G161 VanDerWaalsContact O-N 3.1Å; L158-V162 HydrophobicContact CB-CB 4.42Å; L158-V162 WeakPolarHBondContact CB-O 3.36Å; L158-V162 HydrophobicContact CD1-CB 4.07Å; L158-V162 HydrophobicContact CD1-CG1 4.14Å; L158-V162 WeakPolarHBondContact CG-O 3.48Å; L158-V162 PolarHBondContact N-O 2.61Å
159Y93.9Very high92.5Very high99 Ų9932.2 Ų32.239%0.38815%0.151SC..THydrogen-bonded Turntrans-62.3-22.6-178.5-167.1-97.3000114R141 T143 I183R141-Y159 VanDerWaalsContact NH2-CD2 3.35Å; R141-Y159 WeakPolarHBondContact O-CB 3.25Å; R141-Y159 PolarHBondContact O-N 2.78Å; T143-Y159 HydrophobicContact CG2-CD2 4.13Å; Y159-I183 HydrophobicContact CD1-CG1 4.38Å; Y159-I183 HydrophobicContact CD2-CB 4.41Å; Y159-I183 HydrophobicContact CD2-CD1 4.33Å; Y159-I183 HydrophobicContact CD2-CG1 3.99Å; Y159-I183 HydrophobicContact CD2-CG2 3.59Å; Y159-I183 HydrophobicContact CE1-CD1 4.18Å; Y159-I183 HydrophobicContact CE1-CG1 4.12Å; Y159-I183 HydrophobicContact CE2-CB 4.38Å; Y159-I183 HydrophobicContact CE2-CD1 3.53Å; Y159-I183 HydrophobicContact CE2-CG1 3.69Å; Y159-I183 HydrophobicContact CE2-CG2 3.75Å; Y159-I183 HydrophobicContact CG-CG1 4.32Å; Y159-I183 HydrophobicContact CG-CG2 4.38Å; Y159-I183 VanDerWaalsContact CZ-CD1 3.44Å; Y159-I183 WeakPolarHBondContact OH-CD1 3.42Å
160N92.9Very high92.5Very high56 Ų5632.8 Ų32.830%0.29915%0.153SC..THydrogen-bonded Turntrans-907.8178.267.8-16.9000113.9A140 L158 V162 N181A140-N160 HydrophobicContact CB-CB 4.07Å; L158-N160 VanDerWaalsContact CB-OD1 3.24Å; L158-N160 WeakPolarHBondContact CB-OD1 3.5Å; L158-N160 PolarHBondContact O-N 3.19Å; L158-N160 VanDerWaalsContact O-N 3.17Å; N160-V162 PolarHBondContact OD1-N 3.49Å; N160-N181 WeakPolarHBondContact O-CA 3.24Å; N160-N181 VanDerWaalsContact O-CB 3.26Å; N160-N181 WeakPolarHBondContact O-CB 3.02Å
161G91.4Very high92.6Very high0 Ų035.6 Ų35.60%017%0.165CC..SBendtrans858.1178.900000115.7L158 R178 P182L158-G161 PolarHBondContact O-N 2.76Å; L158-G161 VanDerWaalsContact O-N 3.1Å; G161-R178 WeakPolarHBondContact O-CB 3.16Å; G161-R178 WeakPolarHBondContact O-CG 3.37Å; G161-R178 PolarHBondContact O-N 3.4Å; G161-P182 WeakPolarHBondContact CA-O 3.42Å; G161-P182 PolarHBondContact N-O 3.28Å
162V95Very high92.7Very high7 Ų739.3 Ų39.34%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-87.3139.2170.5177.20000109.9L158 N160 K175 I176 E177L158-V162 HydrophobicContact CB-CB 4.42Å; L158-V162 WeakPolarHBondContact CB-O 3.36Å; L158-V162 HydrophobicContact CD1-CB 4.07Å; L158-V162 HydrophobicContact CD1-CG1 4.14Å; L158-V162 WeakPolarHBondContact CG-O 3.48Å; L158-V162 PolarHBondContact N-O 2.61Å; N160-V162 PolarHBondContact OD1-N 3.49Å; V162-K175 HydrophobicContact CG1-CD 4.26Å; V162-K175 HydrophobicContact CG1-CG 3.67Å; V162-I176 CarbonylContact C-O 3.55Å; V162-I176 WeakPolarHBondContact CA-O 3.29Å; V162-E177 HydrophobicContact CG2-CG 4.29Å
163I95.5Very high92.8Very high0 Ų037.9 Ų37.90%018%0.18CC..EExtended strand (participates in β ladder)trans-113121.6168.1-49.2168.9000107.2I156 K175 I176 T184 L187 L200 V202 Y212I156-I163 WeakPolarHBondContact O-CA 3.48Å; I163-K175 WeakPolarHBondContact O-CA 3.24Å; I163-I176 HydrophobicContact CB-CB 4.13Å; I163-I176 HydrophobicContact CB-CD1 4.49Å; I163-I176 HydrophobicContact CD1-CB 4.48Å; I163-I176 PolarHBondContact N-O 2.96Å; I163-I176 PolarHBondContact O-N 3.39Å; I163-T184 HydrophobicContact CG1-CG2 4.3Å; I163-L187 HydrophobicContact CG2-CD2 3.82Å; I163-L200 HydrophobicContact CG2-CD2 4.16Å; I163-V202 HydrophobicContact CD1-CB 4.26Å; I163-V202 HydrophobicContact CD1-CG1 3.68Å; I163-V202 HydrophobicContact CD1-CG2 3.66Å; I163-Y212 HydrophobicContact CD1-CE2 4.4Å
164S95Very high92.8Very high2 Ų237.4 Ų37.41%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-107.4119-179.1-176.40000109.1A155 I156 R166 E172A155-S164 CarbonylContact C-O 3.52Å; I156-S164 PolarHBondContact N-O 3.44Å; I156-S164 PolarHBondContact O-N 2.75Å; S164-R166 PolarHBondContact OG-NE 3.41Å; S164-R166 PolarHBondContact OG-NH2 3.03Å; S164-E172 WeakPolarHBondContact CB-OE2 3.46Å; S164-E172 PolarHBondContact OG-OE2 2.76Å
165I95.1Very high92.8Very high0 Ų042.2 Ų42.20%020%0.202CC..EExtended strand (participates in β ladder)trans-99.4120.6175.2-57.8177.3000108F153 L154 A155 V173 V174 I176 W189 L214F153-I165 HydrophobicContact CB-CG2 3.96Å; F153-I165 HydrophobicContact CD1-CG2 4.35Å; F153-I165 HydrophobicContact CG-CG2 4.43Å; L154-I165 CarbonylContact O-C 3.48Å; L154-I165 WeakPolarHBondContact O-CA 3.25Å; A155-I165 HydrophobicContact CB-CG1 4.31Å; I165-V173 PolarHBondContact O-N 3.06Å; I165-V174 HydrophobicContact CB-CB 4.14Å; I165-V174 HydrophobicContact CD1-CB 4.18Å; I165-V174 HydrophobicContact CD1-CG1 4.29Å; I165-V174 HydrophobicContact CG1-CB 4.48Å; I165-V174 PolarHBondContact N-O 2.76Å; I165-V174 PolarHBondContact O-N 2.98Å; I165-I176 HydrophobicContact CD1-CD1 4.32Å; I165-W189 HydrophobicContact CD1-CH2 4.42Å; I165-W189 HydrophobicContact CD1-CZ2 4.05Å; I165-L214 HydrophobicContact CG2-CD1 3.96Å
166R94.1Very high92.6Very high34 Ų3442.8 Ų42.813%0.12821%0.205CC..EExtended strand (participates in β ladder)trans-118.4143.5-170.3-61.6-78.1174.2162.7-5.8111.3F123 F153 L154 I156 S164 T170 E171 E172F123-R166 HydrophobicContact CZ-CB 4.46Å; F123-R166 HydrophobicContact CZ-CG 4.02Å; F153-R166 CarbonylContact C-O 3.49Å; F153-R166 VanDerWaalsContact CA-O 3.31Å; F153-R166 WeakPolarHBondContact CA-O 3.26Å; L154-R166 PolarHBondContact N-O 2.96Å; L154-R166 PolarHBondContact O-N 3.3Å; I156-R166 HydrophobicContact CD1-CG 4.2Å; S164-R166 PolarHBondContact OG-NE 3.41Å; S164-R166 PolarHBondContact OG-NH2 3.03Å; R166-T170 WeakPolarHBondContact CD-O 3.24Å; R166-T170 PolarHBondContact NH1-O 2.99Å; R166-E171 WeakPolarHBondContact CA-O 3.33Å; R166-E171 WeakPolarHBondContact CD-O 3.48Å; R166-E172 VanDerWaalsContact CZ-CB 3.43Å; R166-E172 IonicContact CZ-OE2 3.62Å; R166-E172 IonicContact NE-OE2 2.8Å; R166-E172 IonicContact NH2-OE2 3.01Å; R166-E172 PolarHBondContact NH2-OE2 3.25Å
167N92.1Very high92.4Very high28 Ų2848.7 Ų48.715%0.1523%0.232CC..EExtended strand (participates in β ladder)trans-82.8177.5169.468.310000111.3F153 E169 T170 E171 V173F153-N167 HydrophobicContact CD1-CB 4.44Å; F153-N167 HydrophobicContact CE1-CB 4.42Å; N167-E169 PolarHBondContact O-N 3.01Å; N167-E169 WeakPolarHBondContact OD1-CA 3.47Å; N167-E169 PolarHBondContact OD1-N 3.16Å; N167-T170 PolarHBondContact O-N 3.26Å; N167-T170 PolarHBondContact OD1-N 3.36Å; N167-T170 VanDerWaalsContact OD1-N 3.1Å; N167-E171 PolarHBondContact N-O 2.87Å; N167-E171 VanDerWaalsContact N-O 3.1Å; N167-E171 PolarHBondContact ND2-OE2 3.35Å; N167-E171 WeakPolarHBondContact OD1-CB 3.2Å; N167-E171 PolarHBondContact OD1-N 3.13Å; N167-V173 HydrophobicContact CB-CG2 3.96Å
168K86.6Confident92.1Very high95 Ų9548.9 Ų48.941%0.41323%0.233SC..THydrogen-bonded Turntrans-62.5-21.8176.1-68.1-176.2-179.6176.90114F125 W147 G151 T170F125-K168 WeakPolarHBondContact CD2-O 3.42Å; F125-K168 VanDerWaalsContact CE2-O 3.27Å; F125-K168 WeakPolarHBondContact CE2-O 3.03Å; W147-K168 HydrophobicContact CZ3-CG 4.47Å; G151-K168 WeakPolarHBondContact O-CE 3.41Å; K168-T170 PolarHBondContact O-N 3.07Å
169E86.3Confident91.6Very high143 Ų14353.1 Ų53.167%0.66826%0.26SS*.THydrogen-bonded Turntrans-85.74.1177.4-60.3-178.8179.400112.3N167 E171N167-E169 PolarHBondContact O-N 3.01Å; N167-E169 WeakPolarHBondContact OD1-CA 3.47Å; N167-E169 PolarHBondContact OD1-N 3.16Å; E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 HydrophobicContact CB-CG 4.3Å; E169-E171 PolarHBondContact O-N 2.79Å
170T87.2Confident91.1Very high31 Ų3151.7 Ų51.719%0.1928%0.276CS..  trans72.311.4-179.673.40000115.4F123 F125 T136 R166 N167 K168F123-T170 HydrophobicContact CE2-CG2 4.03Å; F123-T170 HydrophobicContact CZ-CG2 4.09Å; F125-T170 HydrophobicContact CD2-CG2 3.68Å; F125-T170 HydrophobicContact CE2-CG2 3.52Å; F125-T170 HydrophobicContact CZ-CG2 4.49Å; T136-T170 PolarHBondContact OG1-OG1 3.41Å; R166-T170 WeakPolarHBondContact CD-O 3.24Å; R166-T170 PolarHBondContact NH1-O 2.99Å; N167-T170 PolarHBondContact O-N 3.26Å; N167-T170 PolarHBondContact OD1-N 3.36Å; N167-T170 VanDerWaalsContact OD1-N 3.1Å; K168-T170 PolarHBondContact O-N 3.07Å
171E89.7Confident90.8Very high110 Ų11054.4 Ų54.451%0.51429%0.29SS..  trans-78.3142.7177.4-53.8-178.2141.200111.7R166 N167 E169 V173R166-E171 WeakPolarHBondContact CA-O 3.33Å; R166-E171 WeakPolarHBondContact CD-O 3.48Å; N167-E171 PolarHBondContact N-O 2.87Å; N167-E171 VanDerWaalsContact N-O 3.1Å; N167-E171 PolarHBondContact ND2-OE2 3.35Å; N167-E171 WeakPolarHBondContact OD1-CB 3.2Å; N167-E171 PolarHBondContact OD1-N 3.13Å; E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 HydrophobicContact CB-CG 4.3Å; E169-E171 PolarHBondContact O-N 2.79Å; E171-V173 PolarHBondContact O-N 3.24Å
172E90.6Very high90.7Very high78 Ų7854.7 Ų54.736%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-79108.5174.8-162.916286.600110.1S164 R166 K175S164-E172 WeakPolarHBondContact CB-OE2 3.46Å; S164-E172 PolarHBondContact OG-OE2 2.76Å; R166-E172 VanDerWaalsContact CZ-CB 3.43Å; R166-E172 IonicContact CZ-OE2 3.62Å; R166-E172 IonicContact NE-OE2 2.8Å; R166-E172 IonicContact NH2-OE2 3.01Å; R166-E172 PolarHBondContact NH2-OE2 3.25Å; E172-K175 HydrophobicContact CG-CB 4.49Å
173V92Very high90.6Very high74 Ų7455.8 Ų55.845%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-87.5-41179.2-1750000110.1F153 I165 N167 E171F153-V173 HydrophobicContact CD1-CG2 4.33Å; F153-V173 HydrophobicContact CE1-CB 4.46Å; F153-V173 HydrophobicContact CE1-CG1 4.29Å; F153-V173 HydrophobicContact CE1-CG2 4.05Å; I165-V173 PolarHBondContact O-N 3.06Å; N167-V173 HydrophobicContact CB-CG2 3.96Å; E171-V173 PolarHBondContact O-N 3.24Å
174V93.3Very high90.5Very high27 Ų2755.8 Ų55.816%0.16430%0.298CS..EExtended strand (participates in β ladder)trans-140.6139.4179177.20000110.2I165 I176 L214I165-V174 HydrophobicContact CB-CB 4.14Å; I165-V174 HydrophobicContact CD1-CB 4.18Å; I165-V174 HydrophobicContact CD1-CG1 4.29Å; I165-V174 HydrophobicContact CG1-CB 4.48Å; I165-V174 PolarHBondContact N-O 2.76Å; I165-V174 PolarHBondContact O-N 2.98Å; V174-I176 HydrophobicContact CG1-CG1 4.17Å; V174-L214 WeakPolarHBondContact CG2-O 3.11Å
175K93.9Very high90.4Very high101 Ų10158.5 Ų58.544%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-122.3124.5174.3-170.9-172.1-176.4-158.20109.5V162 I163 E172 E177V162-K175 HydrophobicContact CG1-CD 4.26Å; V162-K175 HydrophobicContact CG1-CG 3.67Å; I163-K175 WeakPolarHBondContact O-CA 3.24Å; E172-K175 HydrophobicContact CG-CB 4.49Å; K175-E177 VanDerWaalsContact CE-OE1 3.23Å; K175-E177 WeakPolarHBondContact CE-OE1 3.41Å; K175-E177 IonicContact NZ-OE1 2.82Å; K175-E177 PolarHBondContact NZ-OE1 3.44Å
176I93.7Very high90.5Very high12 Ų1260 Ų606%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-112.1122.3177.7-51.8169.5000107.9V162 I163 I165 V174 Y212V162-I176 CarbonylContact C-O 3.55Å; V162-I176 WeakPolarHBondContact CA-O 3.29Å; I163-I176 HydrophobicContact CB-CB 4.13Å; I163-I176 HydrophobicContact CB-CD1 4.49Å; I163-I176 HydrophobicContact CD1-CB 4.48Å; I163-I176 PolarHBondContact N-O 2.96Å; I163-I176 PolarHBondContact O-N 3.39Å; I165-I176 HydrophobicContact CD1-CD1 4.32Å; V174-I176 HydrophobicContact CG1-CG1 4.17Å; I176-Y212 HydrophobicContact CD1-CD1 3.91Å; I176-Y212 HydrophobicContact CD1-CG 3.94Å; I176-Y212 HydrophobicContact CG2-CD1 3.99Å; I176-Y212 HydrophobicContact CG2-CE1 3.58Å
177E92Very high90.5Very high124 Ų12458.4 Ų58.458%0.57931%0.308SS*.EExtended strand (participates in β ladder)trans-105.4117.5177.8-57.8-169.3162.800109.6V162 K175V162-E177 HydrophobicContact CG2-CG 4.29Å; K175-E177 VanDerWaalsContact CE-OE1 3.23Å; K175-E177 WeakPolarHBondContact CE-OE1 3.41Å; K175-E177 IonicContact NZ-OE1 2.82Å; K175-E177 PolarHBondContact NZ-OE1 3.44Å
178R89.4Confident90.6Very high4 Ų459.9 Ų59.92%0.01531%0.314CS..  trans-83.2137.8-178.5-64.9-164.570.4175.40.3111.7G161 G180 N181 P182 D204 S210G161-R178 WeakPolarHBondContact O-CB 3.16Å; G161-R178 WeakPolarHBondContact O-CG 3.37Å; G161-R178 PolarHBondContact O-N 3.4Å; R178-G180 PolarHBondContact O-N 3.18Å; R178-N181 PolarHBondContact O-N 2.99Å; R178-N181 VanDerWaalsContact O-N 3.15Å; R178-P182 HydrophobicContact CB-CG 3.9Å; R178-D204 IonicContact CZ-OD2 3.07Å; R178-D204 IonicContact NE-OD2 3.7Å; R178-D204 PolarHBondContact NE-OD2 2.97Å; R178-D204 VanDerWaalsContact NH1-CB 3.28Å; R178-D204 VanDerWaalsContact NH1-CG 3.25Å; R178-D204 IonicContact NH1-OD2 3.66Å; R178-D204 PolarHBondContact NH1-OD2 3.48Å; R178-D204 IonicContact NH2-OD2 3.68Å; R178-D204 PolarHBondContact NH2-OD2 3.32Å; R178-S210 PolarHBondContact NH2-OG 3.3Å
179P83.8Confident90.9Very high90 Ų9055.6 Ų55.658%0.58430%0.295SS*.THydrogen-bonded Turntrans-62.7127.7-178.324.9-33.5000111.3
180G82.8Confident91Very high70 Ų7049.2 Ų49.272%0.72227%0.265SS*.THydrogen-bonded Turntrans86.28.4-179.100000115R178 P182R178-G180 PolarHBondContact O-N 3.18Å; G180-P182 VanDerWaalsContact C-CD 3.41Å
181N87.2Confident90.6Very high112 Ų11250.1 Ų50.160%0.59927%0.272SS*.  trans49.345.9179-61.5-20.3000114.4N160 R178N160-N181 WeakPolarHBondContact O-CA 3.24Å; N160-N181 VanDerWaalsContact O-CB 3.26Å; N160-N181 WeakPolarHBondContact O-CB 3.02Å; R178-N181 PolarHBondContact O-N 2.99Å; R178-N181 VanDerWaalsContact O-N 3.15Å
182P89.2Confident89.6Confident7 Ų745.7 Ų45.75%0.04525%0.253CS..  trans-68.5150.2-178.930.4-35.6000111.5G161 R178 G180 T184 D204 N206G161-P182 WeakPolarHBondContact CA-O 3.42Å; G161-P182 PolarHBondContact N-O 3.28Å; R178-P182 HydrophobicContact CB-CG 3.9Å; G180-P182 VanDerWaalsContact C-CD 3.41Å; P182-T184 PolarHBondContact O-N 3.11Å; P182-D204 HydrophobicContact CB-CB 3.95Å; P182-D204 HydrophobicContact CG-CB 4.13Å; P182-D204 WeakPolarHBondContact CG-OD2 3.43Å; P182-N206 HydrophobicContact CB-CB 3.9Å
183I92.8Very high88.2Confident29 Ų2950.8 Ų50.815%0.14927%0.274CS..  trans-63.7108.8173.9-59.8159.5000108.2T143 Y159 W185 D204 W205T143-I183 HydrophobicContact CG2-CG2 4.4Å; Y159-I183 HydrophobicContact CD1-CG1 4.38Å; Y159-I183 HydrophobicContact CD2-CB 4.41Å; Y159-I183 HydrophobicContact CD2-CD1 4.33Å; Y159-I183 HydrophobicContact CD2-CG1 3.99Å; Y159-I183 HydrophobicContact CD2-CG2 3.59Å; Y159-I183 HydrophobicContact CE1-CD1 4.18Å; Y159-I183 HydrophobicContact CE1-CG1 4.12Å; Y159-I183 HydrophobicContact CE2-CB 4.38Å; Y159-I183 HydrophobicContact CE2-CD1 3.53Å; Y159-I183 HydrophobicContact CE2-CG1 3.69Å; Y159-I183 HydrophobicContact CE2-CG2 3.75Å; Y159-I183 HydrophobicContact CG-CG1 4.32Å; Y159-I183 HydrophobicContact CG-CG2 4.38Å; Y159-I183 VanDerWaalsContact CZ-CD1 3.44Å; Y159-I183 WeakPolarHBondContact OH-CD1 3.42Å; I183-W185 HydrophobicContact CG2-CE3 4.16Å; I183-W185 PolarHBondContact O-N 3.35Å; I183-D204 VanDerWaalsContact O-CA 3.27Å; I183-D204 WeakPolarHBondContact O-CA 3Å; I183-D204 WeakPolarHBondContact O-CB 3.3Å; I183-W205 HydrophobicContact CB-CB 4.28Å; I183-W205 HydrophobicContact CB-CD2 4.45Å; I183-W205 HydrophobicContact CB-CG 4.34Å; I183-W205 HydrophobicContact CD1-CD2 4.31Å; I183-W205 HydrophobicContact CD1-CE3 3.6Å; I183-W205 HydrophobicContact CD1-CZ3 4.05Å; I183-W205 HydrophobicContact CG2-CD2 4.48Å; I183-W205 PolarHBondContact O-N 2.91Å
184T93.6Very high86.3Confident0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-74.2105.7170.8-63.30000106.4T143 I163 P182 L187 V202T143-T184 WeakPolarHBondContact CB-O 3.4Å; T143-T184 PolarHBondContact OG1-O 3.3Å; I163-T184 HydrophobicContact CG1-CG2 4.3Å; P182-T184 PolarHBondContact O-N 3.11Å; T184-L187 HydrophobicContact CG2-CD2 4.37Å; T184-V202 HydrophobicContact CG2-CG1 3.66Å
185W94.1Very high84.1Confident59 Ų5954 Ų5422%0.22331%0.307CS..EExtended strand (participates in β ladder)trans-89.6-42.7-170.6-175.4-94.7000112.2C144 I183 V203 W205 C230 W272C144-W185 WeakPolarHBondContact CB-O 3.18Å; C144-W185 PolarHBondContact SG-O 2.72Å; I183-W185 HydrophobicContact CG2-CE3 4.16Å; I183-W185 PolarHBondContact O-N 3.35Å; W185-V203 PolarHBondContact N-O 3.37Å; W185-V203 VanDerWaalsContact N-O 3.11Å; W185-W205 AromaticContact CD2-CE2 3.74Å; W185-W205 AromaticContact CD2-CZ2 3.67Å; W185-W205 HydrophobicContact CD2-CZ2 3.67Å; W185-W205 AromaticContact CD2-NE1 3.5Å; W185-W205 HydrophobicContact CE3-CD2 4.46Å; W185-W205 AromaticContact CE3-CE2 3.51Å; W185-W205 HydrophobicContact CE3-CH2 4.03Å; W185-W205 AromaticContact CE3-CZ2 3.25Å; W185-W205 HydrophobicContact CE3-CZ2 3.25Å; W185-W205 AromaticContact CE3-NE1 3.72Å; W185-W205 HydrophobicContact CG-CZ2 4.44Å; W185-W205 AromaticContact CG-NE1 3.33Å; W185-W205 VanDerWaalsContact CG-NE1 3.33Å; W185-W205 HydrophobicContact CH2-CH2 4.38Å; W185-W205 AromaticContact CH2-CZ2 3.91Å; W185-W205 HydrophobicContact CH2-CZ2 3.91Å; W185-W205 HydrophobicContact CZ2-CZ2 4.28Å; W185-W205 AromaticContact CZ3-CH2 3.79Å; W185-W205 HydrophobicContact CZ3-CH2 3.79Å; W185-W205 AromaticContact CZ3-CZ2 3.38Å; W185-W205 HydrophobicContact CZ3-CZ2 3.38Å; W185-C230 VanDerWaalsContact CD1-C 3.47Å; W185-C230 VanDerWaalsContact CD1-CA 3.45Å; W185-C230 PolarHBondContact NE1-O 3.2Å; W185-W272 HydrophobicContact CH2-CZ3 4.12Å; W185-W272 HydrophobicContact CZ2-CE3 4.03Å; W185-W272 AromaticContact CZ2-CZ3 3.55Å; W185-W272 HydrophobicContact CZ2-CZ3 3.55Å
186H95.4Very high82.2Confident32 Ų3257.5 Ų57.515%0.14832%0.324CS..EExtended strand (participates in β ladder)trans-143.7149.7178-154.7-81.2000111.1C144 V203 N231 I232C144-H186 WeakPolarHBondContact SG-CA 3.47Å; H186-V203 HydrophobicContact CB-CG2 3.77Å; H186-V203 PolarHBondContact N-O 3.37Å; H186-V203 WeakPolarHBondContact O-CG2 3.44Å; H186-V203 PolarHBondContact O-N 3.18Å; H186-N231 PolarHBondContact CD2-ND2 3.33Å; H186-N231 PolarHBondContact NE2-ND2 3.29Å; H186-N231 VanDerWaalsContact NE2-ND2 3.14Å; H186-I232 HydrophobicContact CB-CG2 4.06Å; H186-I232 PolarHBondContact CE1-O 3.04Å; H186-I232 WeakPolarHBondContact ND1-CG2 3.15Å; H186-I232 PolarHBondContact ND1-O 3.24Å
187L95.8Very high80.6Confident0 Ų059.1 Ų59.10%034%0.344CS..EExtended strand (participates in β ladder)trans-145153.7173.259.981.9000109.6S146 A155 I163 T184 L200 A201 V202S146-L187 VanDerWaalsContact CB-CD1 3.44Å; A155-L187 HydrophobicContact CB-CD1 3.73Å; A155-L187 HydrophobicContact CB-CD2 4.43Å; I163-L187 HydrophobicContact CG2-CD2 3.82Å; T184-L187 HydrophobicContact CG2-CD2 4.37Å; L187-L200 HydrophobicContact CB-CD1 4.2Å; L187-L200 HydrophobicContact CD1-CD1 3.8Å; L187-L200 HydrophobicContact CG-CD1 4.49Å; L187-A201 CarbonylContact C-O 3.57Å; L187-A201 WeakPolarHBondContact CA-O 3.3Å; L187-V202 HydrophobicContact CB-CG1 4.5Å; L187-V202 HydrophobicContact CB-CG2 4.17Å
188K94.4Very high79.8Confident60 Ų6055.3 Ų55.326%0.26133%0.326SS..EExtended strand (participates in β ladder)trans-152128176.4-157.774.3-177.2171.90111.6E107 S146 A201 I232 W234E107-K188 IonicContact OE1-NZ 3.84Å; E107-K188 PolarHBondContact OE1-NZ 3.34Å; S146-K188 WeakPolarHBondContact OG-CA 3.22Å; K188-A201 PolarHBondContact N-O 3.05Å; K188-A201 PolarHBondContact O-N 3.34Å; K188-I232 HydrophobicContact CB-CG2 4.24Å; K188-W234 PolarHBondContact O-NE1 2.9Å
189W92.6Very high79.8Confident5 Ų556.8 Ų56.82%0.01933%0.334CS..EExtended strand (participates in β ladder)trans-69.1141.9169.7-75.4106.1000110.9S146 W147 M148 A155 I165 P191 E198 L200 L214 W234S146-W189 PolarHBondContact O-NE1 3.45Å; S146-W189 PolarHBondContact OG-N 2.85Å; W147-W189 VanDerWaalsContact C-CD1 3.4Å; W147-W189 WeakPolarHBondContact O-CB 3.47Å; M148-W189 HydrophobicContact CB-CD2 4.42Å; M148-W189 HydrophobicContact CB-CG 4.36Å; M148-W189 HydrophobicContact CG-CD2 4.22Å; M148-W189 HydrophobicContact CG-CE3 4.38Å; A155-W189 HydrophobicContact CB-CZ2 4.33Å; A155-W189 VanDerWaalsContact CB-NE1 3.33Å; I165-W189 HydrophobicContact CD1-CH2 4.42Å; I165-W189 HydrophobicContact CD1-CZ2 4.05Å; W189-P191 VanDerWaalsContact O-CD 3.29Å; W189-P191 WeakPolarHBondContact O-CD 3.37Å; W189-E198 HydrophobicContact CE3-CB 4.11Å; W189-E198 HydrophobicContact CZ3-CB 4.34Å; W189-L200 HydrophobicContact CD2-CB 3.93Å; W189-L200 HydrophobicContact CD2-CD1 3.72Å; W189-L200 HydrophobicContact CD2-CG 4.39Å; W189-L200 HydrophobicContact CE3-CB 3.71Å; W189-L200 HydrophobicContact CE3-CD1 4.36Å; W189-L200 HydrophobicContact CG-CD1 3.8Å; W189-L200 HydrophobicContact CH2-CB 3.68Å; W189-L200 HydrophobicContact CZ2-CB 3.92Å; W189-L200 HydrophobicContact CZ2-CD1 4.23Å; W189-L200 HydrophobicContact CZ2-CD2 4.18Å; W189-L200 HydrophobicContact CZ2-CG 4.33Å; W189-L200 HydrophobicContact CZ3-CB 3.59Å; W189-L214 HydrophobicContact CH2-CB 4.35Å; W189-L214 HydrophobicContact CH2-CD1 4.31Å; W189-L214 HydrophobicContact CZ2-CD1 4.42Å; W189-W234 VanDerWaalsContact C-NE1 3.29Å; W189-W234 PolarHBondContact O-NE1 2.87Å; W189-W234 VanDerWaalsContact O-NE1 3.09Å
190N87.9Confident80.2Confident9 Ų952.5 Ų52.55%0.04831%0.306CS..  trans-71116.8171.9-174.9-2.9000109.9S192 I199 W234N190-S192 PolarHBondContact ND2-OG 2.93Å; N190-S192 PolarHBondContact O-N 3.01Å; N190-S192 VanDerWaalsContact OD1-CB 3.31Å; N190-S192 WeakPolarHBondContact OD1-CB 3.27Å; N190-S192 PolarHBondContact OD1-N 2.68Å; N190-S192 PolarHBondContact OD1-OG 3.2Å; N190-I199 WeakPolarHBondContact CB-O 3.45Å; N190-I199 PolarHBondContact N-O 3.03Å; N190-W234 VanDerWaalsContact CA-CE2 3.5Å; N190-W234 HydrophobicContact CB-CD2 4.21Å; N190-W234 HydrophobicContact CB-CH2 3.95Å; N190-W234 HydrophobicContact CB-CZ2 3.51Å; N190-W234 HydrophobicContact CB-CZ3 4.46Å
191P78.6Confident80.8Confident49 Ų4949.1 Ų49.132%0.31827%0.272SS..  trans-76.6-3.1179.932.8-36.3000113.5W189 K193 W234 Y239W189-P191 VanDerWaalsContact O-CD 3.29Å; W189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-K193 PolarHBondContact O-N 3.42Å; P191-W234 HydrophobicContact CG-CB 4.44Å; P191-Y239 HydrophobicContact CB-CD2 4.31Å; P191-Y239 HydrophobicContact CB-CE2 4.31Å; P191-Y239 HydrophobicContact CG-CD1 3.63Å; P191-Y239 HydrophobicContact CG-CD2 3.54Å; P191-Y239 HydrophobicContact CG-CE1 3.89Å; P191-Y239 HydrophobicContact CG-CE2 3.8Å; P191-Y239 HydrophobicContact CG-CG 3.43Å; P191-Y239 VanDerWaalsContact CG-CG 3.43Å
192S69.9Low81.2Confident18 Ų1843.8 Ų43.813%0.12624%0.244CC..  trans-69.1125.2179.881.10000111.7N190 N194 K238N190-S192 PolarHBondContact ND2-OG 2.93Å; N190-S192 PolarHBondContact O-N 3.01Å; N190-S192 VanDerWaalsContact OD1-CB 3.31Å; N190-S192 WeakPolarHBondContact OD1-CB 3.27Å; N190-S192 PolarHBondContact OD1-N 2.68Å; N190-S192 PolarHBondContact OD1-OG 3.2Å; S192-N194 PolarHBondContact O-N 3.47Å; S192-N194 VanDerWaalsContact O-N 3.16Å; S192-K238 WeakPolarHBondContact CB-O 3.28Å
193K60.3Low81.4Confident184 Ų18443.5 Ų43.580%0.824%0.241SC*.  trans-79.216.5175.7-63.5-174.3176.7-176.50114.1P191P191-K193 PolarHBondContact O-N 3.42Å
194N51.9Low81.5Confident89 Ų8942.1 Ų42.148%0.47624%0.235SC..  trans-77.4136.4-175.9-67.7-16000109.3S192 H196S192-N194 PolarHBondContact O-N 3.47Å; S192-N194 VanDerWaalsContact O-N 3.16Å; N194-H196 PolarHBondContact O-N 3.07Å
195G46.9Very low81.4Confident81 Ų8146 Ų4684%0.83525%0.249SC*.THydrogen-bonded Turntrans-60.317.3-164.400000119.1G197G195-G197 VanDerWaalsContact C-N 3.29Å
196H53.3Low81.3Confident173 Ų17347 Ų4780%0.80126%0.259SS*.THydrogen-bonded Turntrans-877.4173.3-70.2-56.7000114.1N194N194-H196 PolarHBondContact O-N 3.07Å
197G60.6Low81.2Confident47 Ų4748.2 Ų48.249%0.48527%0.265SS..  trans78.1151-175.500000111.9G195G195-G197 VanDerWaalsContact C-N 3.29Å
198E76Confident81.1Confident43 Ų4351 Ų5120%0.20128%0.277CS..  trans-71.4131.4178.1-60.8-164.6-15800110.2M148 S149 W189M148-E198 HydrophobicContact CG-CB 4.35Å; M148-E198 HydrophobicContact CG-CG 4.48Å; M148-E198 WeakPolarHBondContact CG-OE2 3.08Å; S149-E198 WeakPolarHBondContact CB-OE1 3.34Å; S149-E198 WeakPolarHBondContact CB-OE2 3.44Å; S149-E198 PolarHBondContact N-OE2 3.12Å; S149-E198 VanDerWaalsContact OG-CD 3.23Å; S149-E198 PolarHBondContact OG-OE1 3.41Å; S149-E198 PolarHBondContact OG-OE2 2.77Å; W189-E198 HydrophobicContact CE3-CB 4.11Å; W189-E198 HydrophobicContact CZ3-CB 4.34Å
199I88.3Confident81.1Confident35 Ų3548.1 Ų48.118%0.17926%0.264CS..  trans-111.1131.3-178-61.8173.1000108.5N190 F211N190-I199 WeakPolarHBondContact CB-O 3.45Å; N190-I199 PolarHBondContact N-O 3.03Å; I199-F211 HydrophobicContact CG2-CB 3.75Å; I199-F211 HydrophobicContact CG2-CD1 3.76Å; I199-F211 HydrophobicContact CG2-CG 4.15Å
200L93.1Very high81.2Confident0 Ų047.9 Ų47.90%026%0.263CS..EExtended strand (participates in β ladder)trans-91.2116170.8-176.668.6000109.8A155 I163 L187 W189 V202 F211 Y212A155-L200 HydrophobicContact CB-CD1 4.08Å; A155-L200 HydrophobicContact CB-CD2 4Å; I163-L200 HydrophobicContact CG2-CD2 4.16Å; L187-L200 HydrophobicContact CB-CD1 4.2Å; L187-L200 HydrophobicContact CD1-CD1 3.8Å; L187-L200 HydrophobicContact CG-CD1 4.49Å; W189-L200 HydrophobicContact CD2-CB 3.93Å; W189-L200 HydrophobicContact CD2-CD1 3.72Å; W189-L200 HydrophobicContact CD2-CG 4.39Å; W189-L200 HydrophobicContact CE3-CB 3.71Å; W189-L200 HydrophobicContact CE3-CD1 4.36Å; W189-L200 HydrophobicContact CG-CD1 3.8Å; W189-L200 HydrophobicContact CH2-CB 3.68Å; W189-L200 HydrophobicContact CZ2-CB 3.92Å; W189-L200 HydrophobicContact CZ2-CD1 4.23Å; W189-L200 HydrophobicContact CZ2-CD2 4.18Å; W189-L200 HydrophobicContact CZ2-CG 4.33Å; W189-L200 HydrophobicContact CZ3-CB 3.59Å; L200-V202 HydrophobicContact CD2-CG2 3.86Å; L200-V202 HydrophobicContact CG-CG2 3.84Å; L200-F211 CarbonylContact O-C 3.6Å; L200-F211 VanDerWaalsContact O-CA 3.31Å; L200-F211 WeakPolarHBondContact O-CA 3.42Å; L200-Y212 PolarHBondContact N-O 3.35Å; L200-Y212 PolarHBondContact O-N 3.19Å
201A94.4Very high81.4Confident0 Ų047.8 Ų47.80%026%0.262CS..EExtended strand (participates in β ladder)trans-88.3130.1170.800000109.7L187 K188 F211 I232 W234 L242L187-A201 CarbonylContact C-O 3.57Å; L187-A201 WeakPolarHBondContact CA-O 3.3Å; K188-A201 PolarHBondContact N-O 3.05Å; K188-A201 PolarHBondContact O-N 3.34Å; A201-F211 HydrophobicContact CB-CD1 3.87Å; A201-F211 HydrophobicContact CB-CE1 3.73Å; A201-I232 HydrophobicContact CB-CD1 3.64Å; A201-W234 HydrophobicContact CB-CZ2 3.92Å; A201-L242 HydrophobicContact CB-CD1 4.37Å; A201-L242 HydrophobicContact CB-CD2 4.23Å
202V95.2Very high82.1Confident0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-128.5131.1-174.6-1750000109.5I163 T184 L187 L200 L209 S210 Y212I163-V202 HydrophobicContact CD1-CB 4.26Å; I163-V202 HydrophobicContact CD1-CG1 3.68Å; I163-V202 HydrophobicContact CD1-CG2 3.66Å; T184-V202 HydrophobicContact CG2-CG1 3.66Å; L187-V202 HydrophobicContact CB-CG1 4.5Å; L187-V202 HydrophobicContact CB-CG2 4.17Å; L200-V202 HydrophobicContact CD2-CG2 3.86Å; L200-V202 HydrophobicContact CG-CG2 3.84Å; V202-L209 WeakPolarHBondContact O-CA 3.4Å; V202-S210 PolarHBondContact N-O 2.92Å; V202-S210 PolarHBondContact O-N 3.07Å; V202-Y212 HydrophobicContact CB-CD2 4.35Å; V202-Y212 HydrophobicContact CB-CE2 4.27Å; V202-Y212 HydrophobicContact CG2-CD2 3.68Å; V202-Y212 HydrophobicContact CG2-CE2 4.03Å
203V95.2Very high83Confident0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-120.2136.5174.6-67.80000111.2W185 H186 K208 L209 L225 P229 I232 I244W185-V203 PolarHBondContact N-O 3.37Å; W185-V203 VanDerWaalsContact N-O 3.11Å; H186-V203 HydrophobicContact CB-CG2 3.77Å; H186-V203 PolarHBondContact N-O 3.37Å; H186-V203 WeakPolarHBondContact O-CG2 3.44Å; H186-V203 PolarHBondContact O-N 3.18Å; V203-K208 WeakPolarHBondContact CA-O 3.47Å; V203-L209 HydrophobicContact CG1-CB 4.36Å; V203-L209 HydrophobicContact CG1-CD1 3.67Å; V203-L225 HydrophobicContact CG1-CD1 4.38Å; V203-P229 HydrophobicContact CB-CB 3.83Å; V203-P229 HydrophobicContact CB-CG 3.58Å; V203-P229 HydrophobicContact CG1-CB 4.3Å; V203-P229 HydrophobicContact CG1-CG 4.37Å; V203-P229 HydrophobicContact CG2-CB 3.99Å; V203-P229 HydrophobicContact CG2-CG 4.06Å; V203-I232 HydrophobicContact CG1-CD1 3.98Å; V203-I232 HydrophobicContact CG2-CB 4.3Å; V203-I232 HydrophobicContact CG2-CG2 4Å; V203-I244 HydrophobicContact CG1-CD1 4.24Å
204D93.8Very high84.4Confident1 Ų142.5 Ų42.51%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-126.1168.5178.669.620.6000113.4R178 P182 I183 N206 Q207 K208 P229R178-D204 IonicContact CZ-OD2 3.07Å; R178-D204 IonicContact NE-OD2 3.7Å; R178-D204 PolarHBondContact NE-OD2 2.97Å; R178-D204 VanDerWaalsContact NH1-CB 3.28Å; R178-D204 VanDerWaalsContact NH1-CG 3.25Å; R178-D204 IonicContact NH1-OD2 3.66Å; R178-D204 PolarHBondContact NH1-OD2 3.48Å; R178-D204 IonicContact NH2-OD2 3.68Å; R178-D204 PolarHBondContact NH2-OD2 3.32Å; P182-D204 HydrophobicContact CB-CB 3.95Å; P182-D204 HydrophobicContact CG-CB 4.13Å; P182-D204 WeakPolarHBondContact CG-OD2 3.43Å; I183-D204 VanDerWaalsContact O-CA 3.27Å; I183-D204 WeakPolarHBondContact O-CA 3Å; I183-D204 WeakPolarHBondContact O-CB 3.3Å; D204-N206 PolarHBondContact O-N 3.15Å; D204-N206 VanDerWaalsContact OD1-C 3.31Å; D204-N206 WeakPolarHBondContact OD1-CA 3.43Å; D204-N206 WeakPolarHBondContact OD1-CB 3.5Å; D204-N206 PolarHBondContact OD1-N 2.84Å; D204-Q207 PolarHBondContact O-N 2.81Å; D204-Q207 VanDerWaalsContact O-N 3.07Å; D204-Q207 PolarHBondContact OD1-N 3.17Å; D204-K208 PolarHBondContact N-O 2.82Å; D204-K208 WeakPolarHBondContact OD1-CB 3.43Å; D204-K208 PolarHBondContact OD1-N 3.01Å; D204-P229 WeakPolarHBondContact O-CD 3.26Å; D204-P229 WeakPolarHBondContact O-CG 3.47Å
205W92.7Very high86.1Confident81 Ų8142.2 Ų42.231%0.30723%0.234SC..THydrogen-bonded Turntrans-825.5175.5-72.510.9000114.3I183 W185 Q207 P229I183-W205 HydrophobicContact CB-CB 4.28Å; I183-W205 HydrophobicContact CB-CD2 4.45Å; I183-W205 HydrophobicContact CB-CG 4.34Å; I183-W205 HydrophobicContact CD1-CD2 4.31Å; I183-W205 HydrophobicContact CD1-CE3 3.6Å; I183-W205 HydrophobicContact CD1-CZ3 4.05Å; I183-W205 HydrophobicContact CG2-CD2 4.48Å; I183-W205 PolarHBondContact O-N 2.91Å; W185-W205 AromaticContact CD2-CE2 3.74Å; W185-W205 AromaticContact CD2-CZ2 3.67Å; W185-W205 HydrophobicContact CD2-CZ2 3.67Å; W185-W205 AromaticContact CD2-NE1 3.5Å; W185-W205 HydrophobicContact CE3-CD2 4.46Å; W185-W205 AromaticContact CE3-CE2 3.51Å; W185-W205 HydrophobicContact CE3-CH2 4.03Å; W185-W205 AromaticContact CE3-CZ2 3.25Å; W185-W205 HydrophobicContact CE3-CZ2 3.25Å; W185-W205 AromaticContact CE3-NE1 3.72Å; W185-W205 HydrophobicContact CG-CZ2 4.44Å; W185-W205 AromaticContact CG-NE1 3.33Å; W185-W205 VanDerWaalsContact CG-NE1 3.33Å; W185-W205 HydrophobicContact CH2-CH2 4.38Å; W185-W205 AromaticContact CH2-CZ2 3.91Å; W185-W205 HydrophobicContact CH2-CZ2 3.91Å; W185-W205 HydrophobicContact CZ2-CZ2 4.28Å; W185-W205 AromaticContact CZ3-CH2 3.79Å; W185-W205 HydrophobicContact CZ3-CH2 3.79Å; W185-W205 AromaticContact CZ3-CZ2 3.38Å; W185-W205 HydrophobicContact CZ3-CZ2 3.38Å; W205-Q207 PolarHBondContact O-N 3.4Å; W205-P229 PolarHBondContact NE1-O 2.86Å
206N91.7Very high88Confident79 Ų7939.3 Ų39.342%0.42220%0.204SC..THydrogen-bonded Turntrans-82.512.1157-82.62000111.2P182 D204 K208P182-N206 HydrophobicContact CB-CB 3.9Å; D204-N206 PolarHBondContact O-N 3.15Å; D204-N206 VanDerWaalsContact OD1-C 3.31Å; D204-N206 WeakPolarHBondContact OD1-CA 3.43Å; D204-N206 WeakPolarHBondContact OD1-CB 3.5Å; D204-N206 PolarHBondContact OD1-N 2.84Å; N206-K208 VanDerWaalsContact C-N 3.26Å; N206-K208 HydrophobicContact CB-CD 4.48Å; N206-K208 PolarHBondContact O-N 3.26Å
207Q93.5Very high89.7Confident59 Ų5939.8 Ų39.828%0.27620%0.199SC..SBendtrans64.430.6176-47.2-178-600112.2D204 W205 L224 L225 G226 Y227 D228D204-Q207 PolarHBondContact O-N 2.81Å; D204-Q207 VanDerWaalsContact O-N 3.07Å; D204-Q207 PolarHBondContact OD1-N 3.17Å; W205-Q207 PolarHBondContact O-N 3.4Å; Q207-L224 HydrophobicContact CB-CD1 4.19Å; Q207-L224 CarbonylContact O-C 3.5Å; Q207-L224 WeakPolarHBondContact O-CA 3.46Å; Q207-L225 PolarHBondContact O-N 3.47Å; Q207-G226 VanDerWaalsContact OE1-CA 3.25Å; Q207-Y227 WeakPolarHBondContact CB-O 3.13Å; Q207-Y227 WeakPolarHBondContact CG-O 3.22Å; Q207-D228 PolarHBondContact NE2-OD1 3.01Å; Q207-D228 VanDerWaalsContact NE2-OD1 3.09Å
208K93.2Very high91.1Very high57 Ų5741.5 Ų41.525%0.24819%0.194CC..EExtended strand (participates in β ladder)trans-109.3134.4-178.8-68174.2164.9-158.60112V203 D204 N206 D222 Y223V203-K208 WeakPolarHBondContact CA-O 3.47Å; D204-K208 PolarHBondContact N-O 2.82Å; D204-K208 WeakPolarHBondContact OD1-CB 3.43Å; D204-K208 PolarHBondContact OD1-N 3.01Å; N206-K208 VanDerWaalsContact C-N 3.26Å; N206-K208 HydrophobicContact CB-CD 4.48Å; N206-K208 PolarHBondContact O-N 3.26Å; K208-D222 HydrophobicContact CD-CB 4.25Å; K208-D222 WeakPolarHBondContact CD-OD2 3.29Å; K208-D222 WeakPolarHBondContact CE-OD2 3.42Å; K208-D222 HydrophobicContact CG-CB 4.47Å; K208-D222 IonicContact NZ-OD2 3.31Å; K208-D222 PolarHBondContact NZ-OD2 3.26Å; K208-Y223 CarbonylContact C-O 3.53Å; K208-Y223 WeakPolarHBondContact CA-O 3.39Å
209L94.2Very high91.5Very high0 Ų041.1 Ų41.10%020%0.195CC..EExtended strand (participates in β ladder)trans-98.8124.1161.917267.9000109V202 V203 F211 Y223 L225 I232 I244V202-L209 WeakPolarHBondContact O-CA 3.4Å; V203-L209 HydrophobicContact CG1-CB 4.36Å; V203-L209 HydrophobicContact CG1-CD1 3.67Å; L209-F211 HydrophobicContact CD1-CE1 4.39Å; L209-F211 HydrophobicContact CD1-CZ 4.22Å; L209-F211 HydrophobicContact CD2-CE2 4.23Å; L209-F211 HydrophobicContact CD2-CZ 3.89Å; L209-F211 HydrophobicContact CG-CE2 4.21Å; L209-F211 HydrophobicContact CG-CZ 4.04Å; L209-Y223 PolarHBondContact N-O 3.41Å; L209-Y223 PolarHBondContact O-N 3.25Å; L209-L225 HydrophobicContact CB-CD1 4.36Å; L209-L225 HydrophobicContact CB-CD2 4.11Å; L209-L225 HydrophobicContact CB-CG 4.29Å; L209-I232 HydrophobicContact CD1-CD1 3.83Å; L209-I244 HydrophobicContact CD1-CD1 4.1Å; L209-I244 HydrophobicContact CD2-CD1 3.88Å; L209-I244 HydrophobicContact CG-CD1 4.46Å
210S93.7Very high91.3Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-132.7152.8178.5-52.60000110R178 V202 D222R178-S210 PolarHBondContact NH2-OG 3.3Å; V202-S210 PolarHBondContact N-O 2.92Å; V202-S210 PolarHBondContact O-N 3.07Å; S210-D222 PolarHBondContact OG-OD1 3.22Å
211F93.1Very high91Very high7 Ų749.3 Ų49.33%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-118.7140.2179-60.4-76.9000110.2I199 L200 A201 L209 Q218 T219 Y223 L242I199-F211 HydrophobicContact CG2-CB 3.75Å; I199-F211 HydrophobicContact CG2-CD1 3.76Å; I199-F211 HydrophobicContact CG2-CG 4.15Å; L200-F211 CarbonylContact O-C 3.6Å; L200-F211 VanDerWaalsContact O-CA 3.31Å; L200-F211 WeakPolarHBondContact O-CA 3.42Å; A201-F211 HydrophobicContact CB-CD1 3.87Å; A201-F211 HydrophobicContact CB-CE1 3.73Å; L209-F211 HydrophobicContact CD1-CE1 4.39Å; L209-F211 HydrophobicContact CD1-CZ 4.22Å; L209-F211 HydrophobicContact CD2-CE2 4.23Å; L209-F211 HydrophobicContact CD2-CZ 3.89Å; L209-F211 HydrophobicContact CG-CE2 4.21Å; L209-F211 HydrophobicContact CG-CZ 4.04Å; F211-Q218 CarbonylContact O-C 3.47Å; F211-Q218 WeakPolarHBondContact O-CA 3.26Å; F211-Q218 WeakPolarHBondContact O-CG 3.12Å; F211-T219 VanDerWaalsContact C-OG1 3.3Å; F211-T219 WeakPolarHBondContact CB-OG1 3.47Å; F211-T219 PolarHBondContact O-N 2.96Å; F211-T219 PolarHBondContact O-OG1 2.92Å; F211-Y223 HydrophobicContact CE2-CD2 4.31Å; F211-Y223 HydrophobicContact CE2-CE2 4.26Å; F211-L242 HydrophobicContact CE1-CD1 3.58Å; F211-L242 HydrophobicContact CZ-CD1 3.77Å
212Y92.4Very high90.8Very high11 Ų1151.5 Ų51.54%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-133.4149.9-179.7-65-89.5000111.2I163 I176 L200 V202 R217 Q218I163-Y212 HydrophobicContact CD1-CE2 4.4Å; I176-Y212 HydrophobicContact CD1-CD1 3.91Å; I176-Y212 HydrophobicContact CD1-CG 3.94Å; I176-Y212 HydrophobicContact CG2-CD1 3.99Å; I176-Y212 HydrophobicContact CG2-CE1 3.58Å; L200-Y212 PolarHBondContact N-O 3.35Å; L200-Y212 PolarHBondContact O-N 3.19Å; V202-Y212 HydrophobicContact CB-CD2 4.35Å; V202-Y212 HydrophobicContact CB-CE2 4.27Å; V202-Y212 HydrophobicContact CG2-CD2 3.68Å; V202-Y212 HydrophobicContact CG2-CE2 4.03Å; Y212-R217 WeakPolarHBondContact CA-O 3.46Å; Y212-Q218 HydrophobicContact CD1-CB 4Å; Y212-Q218 HydrophobicContact CE1-CB 3.78Å; Y212-Q218 HydrophobicContact CE1-CG 4.24Å
213Q90.3Very high90.5Very high73 Ų7354 Ų5434%0.34127%0.269SS..  trans-89.6167.5167-75.3174-4.100110.9N215 G216 R217 T219Q213-N215 WeakPolarHBondContact CB-OD1 3.09Å; Q213-N215 PolarHBondContact O-N 3.34Å; Q213-G216 PolarHBondContact O-N 2.84Å; Q213-R217 PolarHBondContact N-O 3.19Å; Q213-T219 HydrophobicContact CG-CG2 3.64Å
214L88.3Confident90.4Very high57 Ų5760.4 Ų60.430%0.29830%0.303SS..THydrogen-bonded Turntrans-54.4-35.6177.9-178.364.1000113.5M148 F153 I165 V174 W189 G216M148-L214 HydrophobicContact CE-CD2 4.36Å; M148-L214 HydrophobicContact SD-CD1 3.93Å; M148-L214 HydrophobicContact SD-CD2 4.21Å; F153-L214 HydrophobicContact CB-CD1 4.19Å; F153-L214 HydrophobicContact CD1-CD1 4.43Å; F153-L214 HydrophobicContact CD2-CD1 3.88Å; F153-L214 HydrophobicContact CD2-CD2 4.02Å; F153-L214 HydrophobicContact CE2-CD1 4.39Å; F153-L214 HydrophobicContact CE2-CD2 3.8Å; F153-L214 HydrophobicContact CG-CD1 3.9Å; F153-L214 HydrophobicContact CZ-CD2 4.37Å; I165-L214 HydrophobicContact CG2-CD1 3.96Å; V174-L214 WeakPolarHBondContact CG2-O 3.11Å; W189-L214 HydrophobicContact CH2-CB 4.35Å; W189-L214 HydrophobicContact CH2-CD1 4.31Å; W189-L214 HydrophobicContact CZ2-CD1 4.42Å; L214-G216 PolarHBondContact O-N 3.31Å
215N88.1Confident90.3Very high83 Ų8361.4 Ų61.444%0.44431%0.308SS..THydrogen-bonded Turntrans-73.62.2177.363.19.3000114.2Q213 R217Q213-N215 WeakPolarHBondContact CB-OD1 3.09Å; Q213-N215 PolarHBondContact O-N 3.34Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 3.29Å; N215-R217 VanDerWaalsContact OD1-CB 3.28Å; N215-R217 WeakPolarHBondContact OD1-CB 2.98Å; N215-R217 WeakPolarHBondContact OD1-CG 3.22Å; N215-R217 PolarHBondContact OD1-N 3.16Å
216G86Confident90.2Very high20 Ų2060 Ų6021%0.20632%0.319CS..SBendtrans81.70.2-178.500000115.1Q213 L214Q213-G216 PolarHBondContact O-N 2.84Å; L214-G216 PolarHBondContact O-N 3.31Å
217R89.3Confident90.3Very high182 Ų18256.9 Ų56.969%0.68730%0.301SS*.  trans-73.6131.1175.4-66.1-175.7178.5177.2-0.5110.5Y212 Q213 N215Y212-R217 WeakPolarHBondContact CA-O 3.46Å; Q213-R217 PolarHBondContact N-O 3.19Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 3.29Å; N215-R217 VanDerWaalsContact OD1-CB 3.28Å; N215-R217 WeakPolarHBondContact OD1-CB 2.98Å; N215-R217 WeakPolarHBondContact OD1-CG 3.22Å; N215-R217 PolarHBondContact OD1-N 3.16Å
218Q90.1Very high90.4Very high83 Ų8356.1 Ų56.139%0.38830%0.299SS..BIsolated β-bridgetrans-70.1133.9175-177172.9-6.700111F211 Y212 G220 D222F211-Q218 CarbonylContact O-C 3.47Å; F211-Q218 WeakPolarHBondContact O-CA 3.26Å; F211-Q218 WeakPolarHBondContact O-CG 3.12Å; Y212-Q218 HydrophobicContact CD1-CB 4Å; Y212-Q218 HydrophobicContact CE1-CB 3.78Å; Y212-Q218 HydrophobicContact CE1-CG 4.24Å; Q218-G220 PolarHBondContact NE2-O 3.02Å; Q218-D222 PolarHBondContact NE2-OD1 2.86Å
219T85.6Confident90.5Very high35 Ų3553.4 Ų53.422%0.21529%0.288CS..  trans-101.8112.517442.40000110.8F211 Q213F211-T219 VanDerWaalsContact C-OG1 3.3Å; F211-T219 WeakPolarHBondContact CB-OG1 3.47Å; F211-T219 PolarHBondContact O-N 2.96Å; F211-T219 PolarHBondContact O-OG1 2.92Å; Q213-T219 HydrophobicContact CG-CG2 3.64Å
220G82.8Confident90.5Very high65 Ų6553.5 Ų53.567%0.6729%0.288SS*.SBendtrans78-164.6-178.600000113.6Q218Q218-G220 PolarHBondContact NE2-O 3.02Å
221K88.4Confident90.6Very high143 Ų14354.1 Ų54.162%0.62229%0.292SS*.  trans-96.1159.6-17864.1178.8-178.31760111.6Y223K221-Y223 HydrophobicContact CG-CE1 4.39Å; K221-Y223 HydrophobicContact CG-CE2 4.26Å; K221-Y223 VanDerWaalsContact O-CD2 3.24Å; K221-Y223 WeakPolarHBondContact O-CD2 3.17Å; K221-Y223 VanDerWaalsContact O-CE2 3.3Å; K221-Y223 WeakPolarHBondContact O-CE2 3.12Å
222D88.5Confident90.7Very high45 Ų4553.9 Ų53.924%0.24129%0.29CS..  trans-64.3133.2167.2-73.1-9.8000110.6K208 S210 Q218K208-D222 HydrophobicContact CD-CB 4.25Å; K208-D222 WeakPolarHBondContact CD-OD2 3.29Å; K208-D222 WeakPolarHBondContact CE-OD2 3.42Å; K208-D222 HydrophobicContact CG-CB 4.47Å; K208-D222 IonicContact NZ-OD2 3.31Å; K208-D222 PolarHBondContact NZ-OD2 3.26Å; S210-D222 PolarHBondContact OG-OD1 3.22Å; Q218-D222 PolarHBondContact NE2-OD1 2.86Å
223Y90.7Very high90.7Very high53 Ų5354 Ų5421%0.20829%0.293CS..EExtended strand (participates in β ladder)trans-104.4121.6173.7-67.7-86.7000110.4K208 L209 F211 K221 E257K208-Y223 CarbonylContact C-O 3.53Å; K208-Y223 WeakPolarHBondContact CA-O 3.39Å; L209-Y223 PolarHBondContact N-O 3.41Å; L209-Y223 PolarHBondContact O-N 3.25Å; F211-Y223 HydrophobicContact CE2-CD2 4.31Å; F211-Y223 HydrophobicContact CE2-CE2 4.26Å; K221-Y223 HydrophobicContact CG-CE1 4.39Å; K221-Y223 HydrophobicContact CG-CE2 4.26Å; K221-Y223 VanDerWaalsContact O-CD2 3.24Å; K221-Y223 WeakPolarHBondContact O-CD2 3.17Å; K221-Y223 VanDerWaalsContact O-CE2 3.3Å; K221-Y223 WeakPolarHBondContact O-CE2 3.12Å; Y223-E257 WeakPolarHBondContact CE2-O 3.32Å; Y223-E257 PolarHBondContact OH-O 3.38Å
224L92.2Very high90.7Very high135 Ų13550.9 Ų50.971%0.70728%0.277SS*.EExtended strand (participates in β ladder)trans-79.7119.7175.9-170.872.3000110.2Q207Q207-L224 HydrophobicContact CB-CD1 4.19Å; Q207-L224 CarbonylContact O-C 3.5Å; Q207-L224 WeakPolarHBondContact O-CA 3.46Å
225L91.5Very high90.6Very high21 Ų2148.3 Ų48.311%0.1126%0.264CS..  trans-83.5-32.2-179.3-61.9175.9000112.5V203 Q207 L209 Y227 P229 I244 Y254V203-L225 HydrophobicContact CG1-CD1 4.38Å; Q207-L225 PolarHBondContact O-N 3.47Å; L209-L225 HydrophobicContact CB-CD1 4.36Å; L209-L225 HydrophobicContact CB-CD2 4.11Å; L209-L225 HydrophobicContact CB-CG 4.29Å; L225-Y227 VanDerWaalsContact C-N 3.34Å; L225-Y227 HydrophobicContact CB-CD1 4.04Å; L225-Y227 HydrophobicContact CB-CE1 3.8Å; L225-Y227 VanDerWaalsContact O-CD1 3.22Å; L225-Y227 WeakPolarHBondContact O-CD1 3.24Å; L225-P229 HydrophobicContact CD1-CB 3.95Å; L225-P229 HydrophobicContact CD1-CG 3.98Å; L225-I244 HydrophobicContact CD1-CG2 4.37Å; L225-I244 HydrophobicContact CD2-CD1 4.31Å; L225-Y254 HydrophobicContact CD2-CE1 3.81Å; L225-Y254 HydrophobicContact CD2-CE2 4.42Å; L225-Y254 WeakPolarHBondContact CD2-OH 3.46Å
226G90.8Very high90Very high53 Ų5345.5 Ų45.555%0.54626%0.255SS..SBendtrans78.513.7-177.100000114.8Q207Q207-G226 VanDerWaalsContact OE1-CA 3.25Å
227Y93.6Very high89.2Confident12 Ų1250.5 Ų50.55%0.04728%0.277CS..SBendtrans-155.4164.8174.762.1-87.7000110Q207 L225 P229 I244 N248 Q252 Y254Q207-Y227 WeakPolarHBondContact CB-O 3.13Å; Q207-Y227 WeakPolarHBondContact CG-O 3.22Å; L225-Y227 VanDerWaalsContact C-N 3.34Å; L225-Y227 HydrophobicContact CB-CD1 4.04Å; L225-Y227 HydrophobicContact CB-CE1 3.8Å; L225-Y227 VanDerWaalsContact O-CD1 3.22Å; L225-Y227 WeakPolarHBondContact O-CD1 3.24Å; Y227-P229 HydrophobicContact CE2-CB 4.48Å; Y227-P229 VanDerWaalsContact O-CD 3.26Å; Y227-P229 WeakPolarHBondContact O-CD 3.18Å; Y227-I244 HydrophobicContact CE2-CG2 4.27Å; Y227-I244 WeakPolarHBondContact OH-CG2 3.49Å; Y227-N248 HydrophobicContact CD1-CB 4.1Å; Y227-N248 WeakPolarHBondContact CD1-ND2 3.41Å; Y227-N248 HydrophobicContact CD2-CB 4.13Å; Y227-N248 WeakPolarHBondContact CE1-ND2 3.19Å; Y227-N248 HydrophobicContact CG-CB 3.7Å; Y227-Q252 PolarHBondContact OH-OE1 2.99Å; Y227-Y254 PolarHBondContact OH-OH 3.05Å
228D94.7Very high88Confident44 Ų4447.7 Ų47.724%0.23527%0.269CS..  trans-84.4113.1-179.2-42.9-49.7000109.1Q207 G246 S247Q207-D228 PolarHBondContact NE2-OD1 3.01Å; Q207-D228 VanDerWaalsContact NE2-OD1 3.09Å; D228-G246 VanDerWaalsContact O-CA 3.32Å; D228-G246 WeakPolarHBondContact O-CA 3.3Å; D228-S247 WeakPolarHBondContact CB-OG 3.31Å; D228-S247 PolarHBondContact N-OG 2.76Å; D228-S247 PolarHBondContact O-N 3.39Å; D228-S247 PolarHBondContact O-OG 2.83Å; D228-S247 PolarHBondContact OD2-OG 3.44Å
229P95.5Very high87Confident0 Ų046.8 Ų46.80%026%0.263CS..EExtended strand (participates in β ladder)trans-76.5134.5-177.430.5-32.3000110.8V203 D204 W205 L225 Y227 I244V203-P229 HydrophobicContact CB-CB 3.83Å; V203-P229 HydrophobicContact CB-CG 3.58Å; V203-P229 HydrophobicContact CG1-CB 4.3Å; V203-P229 HydrophobicContact CG1-CG 4.37Å; V203-P229 HydrophobicContact CG2-CB 3.99Å; V203-P229 HydrophobicContact CG2-CG 4.06Å; D204-P229 WeakPolarHBondContact O-CD 3.26Å; D204-P229 WeakPolarHBondContact O-CG 3.47Å; W205-P229 PolarHBondContact NE1-O 2.86Å; L225-P229 HydrophobicContact CD1-CB 3.95Å; L225-P229 HydrophobicContact CD1-CG 3.98Å; Y227-P229 HydrophobicContact CE2-CB 4.48Å; Y227-P229 VanDerWaalsContact O-CD 3.26Å; Y227-P229 WeakPolarHBondContact O-CD 3.18Å; P229-I244 HydrophobicContact CB-CG2 3.97Å
230C94.8Very high86.4Confident2 Ų247.1 Ų47.11%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-105.2-28.4-179.5-64.10000113.3W185 C245 I271 W272W185-C230 VanDerWaalsContact CD1-C 3.47Å; W185-C230 VanDerWaalsContact CD1-CA 3.45Å; W185-C230 PolarHBondContact NE1-O 3.2Å; C230-C245 PolarHBondContact N-O 2.93Å; C230-I271 VanDerWaalsContact CB-O 3.25Å; C230-I271 WeakPolarHBondContact CB-O 3.09Å; C230-W272 CarbonylContact C-O 3.49Å; C230-W272 HydrophobicContact CB-CE3 4.05Å; C230-W272 WeakPolarHBondContact CB-O 3.47Å
231N95.4Very high86.6Confident13 Ų1344.3 Ų44.37%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-154.1152177.5-161-88.3000111.7H186 I244 C245 C274H186-N231 PolarHBondContact CD2-ND2 3.33Å; H186-N231 PolarHBondContact NE2-ND2 3.29Å; H186-N231 VanDerWaalsContact NE2-ND2 3.14Å; N231-I244 WeakPolarHBondContact O-CA 3.27Å; N231-C245 VanDerWaalsContact CB-SG 3.56Å; N231-C245 PolarHBondContact N-O 2.72Å; N231-C245 PolarHBondContact O-N 3.27Å; N231-C274 PolarHBondContact OD1-O 3.46Å; N231-C274 VanDerWaalsContact OD1-O 3.09Å
232I95.3Very high86.7Confident1 Ų137.5 Ų37.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-134.1132.4173-176164.3000109.9H186 K188 A201 V203 L209 L242 A243 I244H186-I232 HydrophobicContact CB-CG2 4.06Å; H186-I232 PolarHBondContact CE1-O 3.04Å; H186-I232 WeakPolarHBondContact ND1-CG2 3.15Å; H186-I232 PolarHBondContact ND1-O 3.24Å; K188-I232 HydrophobicContact CB-CG2 4.24Å; A201-I232 HydrophobicContact CB-CD1 3.64Å; V203-I232 HydrophobicContact CG1-CD1 3.98Å; V203-I232 HydrophobicContact CG2-CB 4.3Å; V203-I232 HydrophobicContact CG2-CG2 4Å; L209-I232 HydrophobicContact CD1-CD1 3.83Å; I232-L242 HydrophobicContact CD1-CD2 3.85Å; I232-L242 HydrophobicContact CG1-CD2 3.83Å; I232-A243 WeakPolarHBondContact CA-O 3.14Å; I232-I244 HydrophobicContact CB-CG1 4.4Å; I232-I244 HydrophobicContact CD1-CD1 4.07Å; I232-I244 HydrophobicContact CD1-CG1 4.03Å; I232-I244 HydrophobicContact CG1-CG1 4Å
233T92.9Very high87Confident15 Ų1535.4 Ų35.49%0.09219%0.191CC..EExtended strand (participates in β ladder)trans-139.9148.5175.9-173.60000111.3L242 A243 T276T233-L242 CarbonylContact O-C 3.6Å; T233-L242 WeakPolarHBondContact O-CA 3.48Å; T233-A243 HydrophobicContact CG2-CB 3.89Å; T233-A243 PolarHBondContact N-O 3.49Å; T233-A243 PolarHBondContact O-N 3.26Å; T233-T276 HydrophobicContact CG2-CG2 3.75Å
234W90.1Very high87.2Confident6 Ų632.9 Ų32.92%0.02318%0.181CC..EExtended strand (participates in β ladder)trans-84.2137.7176.8-69.796.1000110.7K188 W189 N190 P191 A201 Y239 S241 L242 N256 T276K188-W234 PolarHBondContact O-NE1 2.9Å; W189-W234 VanDerWaalsContact C-NE1 3.29Å; W189-W234 PolarHBondContact O-NE1 2.87Å; W189-W234 VanDerWaalsContact O-NE1 3.09Å; N190-W234 VanDerWaalsContact CA-CE2 3.5Å; N190-W234 HydrophobicContact CB-CD2 4.21Å; N190-W234 HydrophobicContact CB-CH2 3.95Å; N190-W234 HydrophobicContact CB-CZ2 3.51Å; N190-W234 HydrophobicContact CB-CZ3 4.46Å; P191-W234 HydrophobicContact CG-CB 4.44Å; A201-W234 HydrophobicContact CB-CZ2 3.92Å; W234-Y239 HydrophobicContact CB-CD1 3.78Å; W234-Y239 HydrophobicContact CB-CG 4.34Å; W234-S241 CarbonylContact C-O 3.56Å; W234-L242 HydrophobicContact CD2-CD2 3.3Å; W234-L242 HydrophobicContact CD2-CG 4.06Å; W234-L242 HydrophobicContact CE3-CD1 4.47Å; W234-L242 HydrophobicContact CE3-CD2 3.45Å; W234-L242 VanDerWaalsContact CE3-CD2 3.45Å; W234-L242 HydrophobicContact CE3-CG 3.64Å; W234-L242 HydrophobicContact CG-CD2 3.91Å; W234-L242 HydrophobicContact CH2-CD1 3.8Å; W234-L242 HydrophobicContact CH2-CD2 3.79Å; W234-L242 HydrophobicContact CH2-CG 3.86Å; W234-L242 HydrophobicContact CZ2-CD1 4.28Å; W234-L242 HydrophobicContact CZ2-CD2 3.64Å; W234-L242 HydrophobicContact CZ2-CG 4.24Å; W234-L242 HydrophobicContact CZ3-CD1 3.9Å; W234-L242 HydrophobicContact CZ3-CD2 3.69Å; W234-L242 HydrophobicContact CZ3-CG 3.54Å; W234-N256 HydrophobicContact CH2-CB 4.42Å; W234-N256 HydrophobicContact CZ3-CB 4.03Å; W234-T276 VanDerWaalsContact O-CG2 3.24Å; W234-T276 WeakPolarHBondContact O-CG2 3.31Å; W234-T276 PolarHBondContact O-OG1 2.99Å
235F86Confident87.4Confident3 Ų326.4 Ų26.41%0.01315%0.148CC..EExtended strand (participates in β ladder)trans-127.1144.4-173.1179.8-96.8000112.8S241 L253 T276 N281 I283 L297F235-S241 PolarHBondContact N-O 2.94Å; F235-S241 PolarHBondContact O-N 3.21Å; F235-L253 HydrophobicContact CB-CD1 4.15Å; F235-L253 HydrophobicContact CD1-CD1 3.81Å; F235-L253 HydrophobicContact CG-CD1 4.16Å; F235-T276 HydrophobicContact CB-CG2 4.06Å; F235-T276 HydrophobicContact CD2-CG2 3.75Å; F235-T276 HydrophobicContact CG-CG2 4.41Å; F235-N281 HydrophobicContact CZ-CB 4.05Å; F235-I283 HydrophobicContact CB-CD1 4.4Å; F235-I283 HydrophobicContact CD2-CD1 3.42Å; F235-I283 VanDerWaalsContact CD2-CD1 3.42Å; F235-I283 HydrophobicContact CD2-CG1 3.46Å; F235-I283 VanDerWaalsContact CD2-CG1 3.46Å; F235-I283 HydrophobicContact CE2-CD1 3.84Å; F235-I283 HydrophobicContact CE2-CG1 3.54Å; F235-I283 HydrophobicContact CG-CD1 3.92Å; F235-I283 HydrophobicContact CG-CG1 4.43Å; F235-L297 HydrophobicContact CD1-CD1 4.18Å; F235-L297 HydrophobicContact CD2-CD1 4.48Å; F235-L297 HydrophobicContact CE1-CD1 3.44Å; F235-L297 VanDerWaalsContact CE1-CD1 3.44Å; F235-L297 HydrophobicContact CE2-CD1 3.79Å; F235-L297 HydrophobicContact CZ-CB 4.08Å; F235-L297 HydrophobicContact CZ-CD1 3.21Å; F235-L297 HydrophobicContact CZ-CG 4.25Å
236G76.6Confident87.5Confident24 Ų2425.4 Ų25.425%0.24714%0.142CC..SBendtrans100.7160.3175.100000113.6K238 Y239G236-K238 PolarHBondContact O-N 3.32Å; G236-Y239 PolarHBondContact O-N 3.46Å
237N68.3Low87.7Confident125 Ų12523.8 Ų23.867%0.66812%0.123SC*.THydrogen-bonded Turntrans-56.5-25.4-175.2-72.8-5.4000114.6
238K65Low87.8Confident124 Ų12424.9 Ų24.954%0.53913%0.129SC..THydrogen-bonded Turntrans-114.87.1177.6-68.8-179.4176.7-177.80113.3S192 G236 E240S192-K238 WeakPolarHBondContact CB-O 3.28Å; G236-K238 PolarHBondContact O-N 3.32Å; K238-E240 VanDerWaalsContact C-N 3.26Å; K238-E240 HydrophobicContact CB-CG 3.79Å; K238-E240 WeakPolarHBondContact CB-OE1 3.4Å; K238-E240 WeakPolarHBondContact CD-OE1 3.31Å; K238-E240 PolarHBondContact O-N 2.9Å
239Y67.8Low87.8Confident63 Ų6327 Ų2725%0.24714%0.137CC..  trans55.139.7-178.1-53.9-76.7000113.7P191 W234 G236 S241P191-Y239 HydrophobicContact CB-CD2 4.31Å; P191-Y239 HydrophobicContact CB-CE2 4.31Å; P191-Y239 HydrophobicContact CG-CD1 3.63Å; P191-Y239 HydrophobicContact CG-CD2 3.54Å; P191-Y239 HydrophobicContact CG-CE1 3.89Å; P191-Y239 HydrophobicContact CG-CE2 3.8Å; P191-Y239 HydrophobicContact CG-CG 3.43Å; P191-Y239 VanDerWaalsContact CG-CG 3.43Å; W234-Y239 HydrophobicContact CB-CD1 3.78Å; W234-Y239 HydrophobicContact CB-CG 4.34Å; G236-Y239 PolarHBondContact O-N 3.46Å; Y239-S241 VanDerWaalsContact C-N 3.32Å
240E74.4Confident87.8Confident43 Ų4329.3 Ų29.320%0.20115%0.148CC..  trans-84.2-8.4-178.1-65.8173.5-173.300112.8K238 N256 S315K238-E240 VanDerWaalsContact C-N 3.26Å; K238-E240 HydrophobicContact CB-CG 3.79Å; K238-E240 WeakPolarHBondContact CB-OE1 3.4Å; K238-E240 WeakPolarHBondContact CD-OE1 3.31Å; K238-E240 PolarHBondContact O-N 2.9Å; E240-N256 PolarHBondContact O-N 2.83Å; E240-N256 VanDerWaalsContact O-N 3.12Å; E240-S315 VanDerWaalsContact CD-OG 3.25Å; E240-S315 VanDerWaalsContact OE2-CA 3.23Å; E240-S315 WeakPolarHBondContact OE2-CA 3.39Å; E240-S315 VanDerWaalsContact OE2-CB 3.26Å; E240-S315 WeakPolarHBondContact OE2-CB 3.21Å; E240-S315 PolarHBondContact OE2-OG 3.49Å
241S86Confident87.8Confident6 Ų629.2 Ų29.24%0.04215%0.147CC..EExtended strand (participates in β ladder)trans-128.6160.7-178.4-60.30000111.5W234 F235 Y239 Y254W234-S241 CarbonylContact C-O 3.56Å; F235-S241 PolarHBondContact N-O 2.94Å; F235-S241 PolarHBondContact O-N 3.21Å; Y239-S241 VanDerWaalsContact C-N 3.32Å; S241-Y254 CarbonylContact C-O 3.51Å; S241-Y254 VanDerWaalsContact CA-O 3.27Å; S241-Y254 WeakPolarHBondContact CA-O 3.42Å; S241-Y254 WeakPolarHBondContact CB-O 3.4Å
242L91Very high87.7Confident0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-122.4133.3-178.5-74.8160.1000109.1A201 F211 I232 T233 W234 L253 Y254A201-L242 HydrophobicContact CB-CD1 4.37Å; A201-L242 HydrophobicContact CB-CD2 4.23Å; F211-L242 HydrophobicContact CE1-CD1 3.58Å; F211-L242 HydrophobicContact CZ-CD1 3.77Å; I232-L242 HydrophobicContact CD1-CD2 3.85Å; I232-L242 HydrophobicContact CG1-CD2 3.83Å; T233-L242 CarbonylContact O-C 3.6Å; T233-L242 WeakPolarHBondContact O-CA 3.48Å; W234-L242 HydrophobicContact CD2-CD2 3.3Å; W234-L242 HydrophobicContact CD2-CG 4.06Å; W234-L242 HydrophobicContact CE3-CD1 4.47Å; W234-L242 HydrophobicContact CE3-CD2 3.45Å; W234-L242 VanDerWaalsContact CE3-CD2 3.45Å; W234-L242 HydrophobicContact CE3-CG 3.64Å; W234-L242 HydrophobicContact CG-CD2 3.91Å; W234-L242 HydrophobicContact CH2-CD1 3.8Å; W234-L242 HydrophobicContact CH2-CD2 3.79Å; W234-L242 HydrophobicContact CH2-CG 3.86Å; W234-L242 HydrophobicContact CZ2-CD1 4.28Å; W234-L242 HydrophobicContact CZ2-CD2 3.64Å; W234-L242 HydrophobicContact CZ2-CG 4.24Å; W234-L242 HydrophobicContact CZ3-CD1 3.9Å; W234-L242 HydrophobicContact CZ3-CD2 3.69Å; W234-L242 HydrophobicContact CZ3-CG 3.54Å; L242-L253 CarbonylContact O-C 3.42Å; L242-L253 WeakPolarHBondContact O-CA 3.17Å; L242-Y254 PolarHBondContact N-O 3.33Å; L242-Y254 PolarHBondContact O-N 3.38Å
243A93.8Very high87.5Confident0 Ų029.2 Ų29.20%015%0.146CC..EExtended strand (participates in β ladder)trans-102.9126.9167.400000109.1I232 T233 Q252 I264 I283I232-A243 WeakPolarHBondContact CA-O 3.14Å; T233-A243 HydrophobicContact CG2-CB 3.89Å; T233-A243 PolarHBondContact N-O 3.49Å; T233-A243 PolarHBondContact O-N 3.26Å; A243-Q252 WeakPolarHBondContact CA-O 3.45Å; A243-I264 HydrophobicContact CB-CD1 4.14Å; A243-I283 HydrophobicContact CB-CD1 3.72Å
244I95.6Very high87.4Confident0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-123.3127.4178.8-55.4177.2000108.2V203 L209 L225 Y227 P229 N231 I232 Q252 Y254V203-I244 HydrophobicContact CG1-CD1 4.24Å; L209-I244 HydrophobicContact CD1-CD1 4.1Å; L209-I244 HydrophobicContact CD2-CD1 3.88Å; L209-I244 HydrophobicContact CG-CD1 4.46Å; L225-I244 HydrophobicContact CD1-CG2 4.37Å; L225-I244 HydrophobicContact CD2-CD1 4.31Å; Y227-I244 HydrophobicContact CE2-CG2 4.27Å; Y227-I244 WeakPolarHBondContact OH-CG2 3.49Å; P229-I244 HydrophobicContact CB-CG2 3.97Å; N231-I244 WeakPolarHBondContact O-CA 3.27Å; I232-I244 HydrophobicContact CB-CG1 4.4Å; I232-I244 HydrophobicContact CD1-CD1 4.07Å; I232-I244 HydrophobicContact CD1-CG1 4.03Å; I232-I244 HydrophobicContact CG1-CG1 4Å; I244-Q252 PolarHBondContact N-O 2.95Å; I244-Q252 PolarHBondContact O-N 2.81Å; I244-Y254 HydrophobicContact CB-CD2 4.13Å; I244-Y254 HydrophobicContact CB-CE2 3.97Å; I244-Y254 HydrophobicContact CD1-CD2 3.71Å; I244-Y254 HydrophobicContact CD1-CE2 3.91Å; I244-Y254 HydrophobicContact CD1-CG 4.19Å; I244-Y254 HydrophobicContact CG1-CD2 3.9Å; I244-Y254 HydrophobicContact CG1-CE2 4.17Å
245C95.6Very high87.2Confident0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-118.7160.3173.670.50000111.2C230 N231 M250 C251 I271 C274C230-C245 PolarHBondContact N-O 2.93Å; N231-C245 VanDerWaalsContact CB-SG 3.56Å; N231-C245 PolarHBondContact N-O 2.72Å; N231-C245 PolarHBondContact O-N 3.27Å; C245-M250 WeakPolarHBondContact CA-O 3.08Å; C245-C251 HydrophobicContact CB-CB 4.13Å; C245-I271 HydrophobicContact CB-CB 3.88Å; C245-I271 HydrophobicContact CB-CG2 3.6Å; C245-C274 VanDerWaalsContact SG-SG 3.66Å
246G94.9Very high87Confident0 Ų031.5 Ų31.50%016%0.158CC..EExtended strand (participates in β ladder)trans-178-155.9-179.700000116.8D228 N248 K249 I271D228-G246 VanDerWaalsContact O-CA 3.32Å; D228-G246 WeakPolarHBondContact O-CA 3.3Å; G246-N248 PolarHBondContact O-N 3.32Å; G246-K249 PolarHBondContact O-N 3.15Å; G246-K249 VanDerWaalsContact O-N 3.1Å; G246-I271 PolarHBondContact O-N 2.78Å
247S94.9Very high87.2Confident19 Ų1933 Ų3313%0.13316%0.159CC..THydrogen-bonded Turntrans-65.5-17.7-175.265.70000114.2D228 K249 W270D228-S247 WeakPolarHBondContact CB-OG 3.31Å; D228-S247 PolarHBondContact N-OG 2.76Å; D228-S247 PolarHBondContact O-N 3.39Å; D228-S247 PolarHBondContact O-OG 2.83Å; D228-S247 PolarHBondContact OD2-OG 3.44Å; S247-K249 PolarHBondContact O-N 2.88Å; S247-W270 VanDerWaalsContact CB-CZ2 3.49Å; S247-W270 PolarHBondContact O-NE1 2.74Å
248N94.6Very high87.9Confident34 Ų3427.2 Ų27.218%0.18213%0.129CC..THydrogen-bonded Turntrans-70.5-1.2172.268.1-2.3000114.2Y227 G246 M250Y227-N248 HydrophobicContact CD1-CB 4.1Å; Y227-N248 WeakPolarHBondContact CD1-ND2 3.41Å; Y227-N248 HydrophobicContact CD2-CB 4.13Å; Y227-N248 WeakPolarHBondContact CE1-ND2 3.19Å; Y227-N248 HydrophobicContact CG-CB 3.7Å; G246-N248 PolarHBondContact O-N 3.32Å; N248-M250 HydrophobicContact CB-CE 3.96Å; N248-M250 PolarHBondContact O-N 3.36Å; N248-M250 PolarHBondContact OD1-N 3.1Å; N248-M250 PolarHBondContact OD1-O 2.63Å
249K95.5Very high88.9Confident90 Ų9022.8 Ų22.839%0.39111%0.11SC..SBendtrans64.622.4179.6-42.1169.1174.6-162.30113.1G246 S247 Q267 Q268 T269G246-K249 PolarHBondContact O-N 3.15Å; G246-K249 VanDerWaalsContact O-N 3.1Å; S247-K249 PolarHBondContact O-N 2.88Å; K249-Q267 VanDerWaalsContact CB-O 3.32Å; K249-Q267 WeakPolarHBondContact CB-O 3.34Å; K249-Q267 PolarHBondContact O-N 3.43Å; K249-Q268 VanDerWaalsContact CD-O 3.28Å; K249-Q268 WeakPolarHBondContact CD-O 3.31Å; K249-Q268 VanDerWaalsContact CE-O 3.29Å; K249-Q268 WeakPolarHBondContact CE-O 3.28Å; K249-Q268 PolarHBondContact NZ-O 3.35Å; K249-T269 WeakPolarHBondContact CB-O 3.46Å; K249-T269 WeakPolarHBondContact CG-O 3.45Å
250M95.1Very high89.8Confident47 Ų4727.1 Ų27.123%0.23213%0.126CC..EExtended strand (participates in β ladder)trans-128.2150.2-178.1-64.9-176.6-72.300110.4C245 N248 Q252 N265 K266C245-M250 WeakPolarHBondContact CA-O 3.08Å; N248-M250 HydrophobicContact CB-CE 3.96Å; N248-M250 PolarHBondContact O-N 3.36Å; N248-M250 PolarHBondContact OD1-N 3.1Å; N248-M250 PolarHBondContact OD1-O 2.63Å; M250-Q252 HydrophobicContact CB-CG 4.24Å; M250-N265 CarbonylContact C-O 3.48Å; M250-N265 VanDerWaalsContact CA-O 3.31Å; M250-N265 WeakPolarHBondContact CA-O 3.44Å; M250-K266 HydrophobicContact CG-CB 4.46Å; M250-K266 HydrophobicContact CG-CG 4.18Å
251C94.4Very high90.4Very high0 Ų025.8 Ų25.80%012%0.12CC..EExtended strand (participates in β ladder)trans-107.7118164-172.20000107.6C245 I264 N265 I271 V285C245-C251 HydrophobicContact CB-CB 4.13Å; C251-I264 WeakPolarHBondContact O-CB 3.5Å; C251-I264 PolarHBondContact O-N 2.72Å; C251-N265 HydrophobicContact CB-CB 4.07Å; C251-N265 PolarHBondContact N-O 3.45Å; C251-N265 PolarHBondContact O-N 3.07Å; C251-I271 HydrophobicContact CB-CD1 4.32Å; C251-V285 HydrophobicContact CB-CG1 3.88Å
252Q93.2Very high90.4Very high14 Ų1426.4 Ų26.47%0.06513%0.126CC..EExtended strand (participates in β ladder)trans-115.3141.1-173-69.3-179.6-15.100110.5Y227 A243 I244 M250 Y254 A262Y227-Q252 PolarHBondContact OH-OE1 2.99Å; A243-Q252 WeakPolarHBondContact CA-O 3.45Å; I244-Q252 PolarHBondContact N-O 2.95Å; I244-Q252 PolarHBondContact O-N 2.81Å; M250-Q252 HydrophobicContact CB-CG 4.24Å; Q252-Y254 HydrophobicContact CB-CD2 4.33Å; Q252-Y254 HydrophobicContact CB-CE2 3.6Å; Q252-Y254 PolarHBondContact OE1-OH 2.7Å; Q252-A262 WeakPolarHBondContact CA-O 3.34Å
253L91.7Very high90.4Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-92.3134.5174.6-160.872.6000109.9M1 F235 L242 L261 A262 I264 L316M1-L253 HydrophobicContact CE-CD2 3.51Å; M1-L253 HydrophobicContact SD-CD2 4.21Å; F235-L253 HydrophobicContact CB-CD1 4.15Å; F235-L253 HydrophobicContact CD1-CD1 3.81Å; F235-L253 HydrophobicContact CG-CD1 4.16Å; L242-L253 CarbonylContact O-C 3.42Å; L242-L253 WeakPolarHBondContact O-CA 3.17Å; L253-L261 HydrophobicContact CB-CB 4.38Å; L253-L261 HydrophobicContact CD2-CB 4.46Å; L253-L261 HydrophobicContact CD2-CD1 3.96Å; L253-L261 HydrophobicContact CG-CD1 4.22Å; L253-L261 PolarHBondContact O-N 3.43Å; L253-A262 PolarHBondContact N-O 3.16Å; L253-A262 PolarHBondContact O-N 3.24Å; L253-I264 HydrophobicContact CB-CD1 3.71Å; L253-I264 HydrophobicContact CB-CG1 3.84Å; L253-I264 HydrophobicContact CD1-CD1 3.74Å; L253-I264 HydrophobicContact CG-CD1 4.29Å; L253-L316 HydrophobicContact CD2-CD1 3.96Å
254Y90.9Very high90.2Very high11 Ų1129.7 Ų29.74%0.04315%0.148CC..EExtended strand (participates in β ladder)trans-123.5155.3174.8-67.2-100000108.9L225 Y227 S241 L242 I244 Q252 I259 R260L225-Y254 HydrophobicContact CD2-CE1 3.81Å; L225-Y254 HydrophobicContact CD2-CE2 4.42Å; L225-Y254 WeakPolarHBondContact CD2-OH 3.46Å; Y227-Y254 PolarHBondContact OH-OH 3.05Å; S241-Y254 CarbonylContact C-O 3.51Å; S241-Y254 VanDerWaalsContact CA-O 3.27Å; S241-Y254 WeakPolarHBondContact CA-O 3.42Å; S241-Y254 WeakPolarHBondContact CB-O 3.4Å; L242-Y254 PolarHBondContact N-O 3.33Å; L242-Y254 PolarHBondContact O-N 3.38Å; I244-Y254 HydrophobicContact CB-CD2 4.13Å; I244-Y254 HydrophobicContact CB-CE2 3.97Å; I244-Y254 HydrophobicContact CD1-CD2 3.71Å; I244-Y254 HydrophobicContact CD1-CE2 3.91Å; I244-Y254 HydrophobicContact CD1-CG 4.19Å; I244-Y254 HydrophobicContact CG1-CD2 3.9Å; I244-Y254 HydrophobicContact CG1-CE2 4.17Å; Q252-Y254 HydrophobicContact CB-CD2 4.33Å; Q252-Y254 HydrophobicContact CB-CE2 3.6Å; Q252-Y254 PolarHBondContact OE1-OH 2.7Å; Y254-I259 CarbonylContact C-O 3.53Å; Y254-I259 WeakPolarHBondContact CA-O 3.45Å; Y254-R260 HydrophobicContact CD1-CB 3.99Å; Y254-R260 HydrophobicContact CE1-CB 3.62Å; Y254-R260 HydrophobicContact CE1-CG 4.03Å
255N85.8Confident90Very high2 Ų230.2 Ų30.21%0.01115%0.151CC..EExtended strand (participates in β ladder)trans-81.7171.5166.371.9-3.7000110.8E257 G258 I259 L261 T317N255-E257 PolarHBondContact O-N 3.28Å; N255-E257 VanDerWaalsContact O-N 3.16Å; N255-E257 PolarHBondContact OD1-N 2.87Å; N255-E257 VanDerWaalsContact OD1-N 3.13Å; N255-G258 PolarHBondContact O-N 2.68Å; N255-G258 PolarHBondContact OD1-N 2.74Å; N255-I259 PolarHBondContact N-O 3.31Å; N255-I259 WeakPolarHBondContact OD1-CB 3.27Å; N255-I259 PolarHBondContact OD1-N 3.42Å; N255-L261 HydrophobicContact CB-CD1 4.22Å; N255-L261 HydrophobicContact CB-CD2 4.31Å; N255-L261 HydrophobicContact CB-CG 4.46Å; N255-T317 HydrophobicContact CB-CG2 4.36Å
256N81.8Confident89.8Confident59 Ų5938 Ų3832%0.31618%0.184SC..THydrogen-bonded Turntrans-60.5-15173.762.6-9.5000115W234 E240W234-N256 HydrophobicContact CH2-CB 4.42Å; W234-N256 HydrophobicContact CZ3-CB 4.03Å; E240-N256 PolarHBondContact O-N 2.83Å; E240-N256 VanDerWaalsContact O-N 3.12Å
257E80.6Confident89.8Confident57 Ų5739.3 Ų39.327%0.26619%0.19SC..THydrogen-bonded Turntrans-90.5-4.5174.5-62.1-173.9167.900112.8Y223 N255 K333Y223-E257 WeakPolarHBondContact CE2-O 3.32Å; Y223-E257 PolarHBondContact OH-O 3.38Å; N255-E257 PolarHBondContact O-N 3.28Å; N255-E257 VanDerWaalsContact O-N 3.16Å; N255-E257 PolarHBondContact OD1-N 2.87Å; N255-E257 VanDerWaalsContact OD1-N 3.13Å; E257-K333 IonicContact OE1-NZ 3.08Å; E257-K333 PolarHBondContact OE1-NZ 2.86Å
258G83.3Confident89.6Confident3 Ų345.8 Ų45.83%0.03122%0.219CC..SBendtrans91.810.2179.400000115.8N255N255-G258 PolarHBondContact O-N 2.68Å; N255-G258 PolarHBondContact OD1-N 2.74Å
259I85Confident89.6Confident31 Ų3145.9 Ų45.916%0.15922%0.22CC..  trans-86.3130.8178.4-60.6163.3000110.1Y254 N255 L261 R335Y254-I259 CarbonylContact C-O 3.53Å; Y254-I259 WeakPolarHBondContact CA-O 3.45Å; N255-I259 PolarHBondContact N-O 3.31Å; N255-I259 WeakPolarHBondContact OD1-CB 3.27Å; N255-I259 PolarHBondContact OD1-N 3.42Å; I259-L261 PolarHBondContact O-N 3.15Å; I259-R335 HydrophobicContact CD1-CB 3.64Å; I259-R335 HydrophobicContact CD1-CG 3.97Å; I259-R335 WeakPolarHBondContact CG2-O 3.4Å
260R87.6Confident89.6Confident154 Ų15446.4 Ų46.458%0.58122%0.22SC*.EExtended strand (participates in β ladder)trans-69.2125.3176.8-169.2-167.975.7-177.92.8111.3Y254Y254-R260 HydrophobicContact CD1-CB 3.99Å; Y254-R260 HydrophobicContact CE1-CB 3.62Å; Y254-R260 HydrophobicContact CE1-CG 4.03Å
261L86.7Confident89.6Confident14 Ų1444.2 Ų44.27%0.07321%0.209CC..EExtended strand (participates in β ladder)trans-97.9-55.9179.7-55.3-178.6000112.7L253 N255 I259 L316 T317L253-L261 HydrophobicContact CB-CB 4.38Å; L253-L261 HydrophobicContact CD2-CB 4.46Å; L253-L261 HydrophobicContact CD2-CD1 3.96Å; L253-L261 HydrophobicContact CG-CD1 4.22Å; L253-L261 PolarHBondContact O-N 3.43Å; N255-L261 HydrophobicContact CB-CD1 4.22Å; N255-L261 HydrophobicContact CB-CD2 4.31Å; N255-L261 HydrophobicContact CB-CG 4.46Å; I259-L261 PolarHBondContact O-N 3.15Å; L261-L316 HydrophobicContact CD1-CB 4.23Å; L261-L316 HydrophobicContact CD1-CD1 3.93Å; L261-T317 HydrophobicContact CD2-CG2 3.21Å; L261-T317 HydrophobicContact CG-CG2 4.5Å
262A86.8Confident89.7Confident20 Ų2045.7 Ų45.717%0.16522%0.215CC..EExtended strand (participates in β ladder)trans-159.8160.9-173.800000112.3M1 Q252 L253M1-A262 HydrophobicContact SD-CB 3.49Å; M1-A262 WeakPolarHBondContact SD-CB 3.44Å; Q252-A262 WeakPolarHBondContact CA-O 3.34Å; L253-A262 PolarHBondContact N-O 3.16Å; L253-A262 PolarHBondContact O-N 3.24Å
263C89.5Confident89.8Confident63 Ų6345 Ų4543%0.42621%0.212SC..EExtended strand (participates in β ladder)trans-88.7119.6166.5-173.40000108.7N265C263-N265 PolarHBondContact SG-O 3.41Å
264I89.7Confident89.9Confident6 Ų645.3 Ų45.33%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-86.3-41.1-177.1-49.2171.6000110.3T3 A243 C251 L253 I283 V295 L297T3-I264 HydrophobicContact CG2-CG2 4.34Å; A243-I264 HydrophobicContact CB-CD1 4.14Å; C251-I264 WeakPolarHBondContact O-CB 3.5Å; C251-I264 PolarHBondContact O-N 2.72Å; L253-I264 HydrophobicContact CB-CD1 3.71Å; L253-I264 HydrophobicContact CB-CG1 3.84Å; L253-I264 HydrophobicContact CD1-CD1 3.74Å; L253-I264 HydrophobicContact CG-CD1 4.29Å; I264-I283 HydrophobicContact CD1-CD1 3.57Å; I264-V295 HydrophobicContact CG2-CG1 4.22Å; I264-L297 HydrophobicContact CD1-CD1 4.25Å; I264-L297 HydrophobicContact CG1-CD1 4.47Å; I264-L297 HydrophobicContact CG1-CD2 4.44Å; I264-L297 HydrophobicContact CG2-CD1 4.02Å; I264-L297 HydrophobicContact CG2-CD2 4.14Å; I264-L297 HydrophobicContact CG2-CG 4.09Å
265N91.2Very high90.1Very high11 Ų1145.9 Ų45.96%0.05922%0.219CC..EExtended strand (participates in β ladder)trans-147.7148.4-176-175.4-99.9000111.2M250 C251 C263 Q267 E293 V295M250-N265 CarbonylContact C-O 3.48Å; M250-N265 VanDerWaalsContact CA-O 3.31Å; M250-N265 WeakPolarHBondContact CA-O 3.44Å; C251-N265 HydrophobicContact CB-CB 4.07Å; C251-N265 PolarHBondContact N-O 3.45Å; C251-N265 PolarHBondContact O-N 3.07Å; C263-N265 PolarHBondContact SG-O 3.41Å; N265-Q267 PolarHBondContact ND2-NE2 3.41Å; N265-Q267 VanDerWaalsContact OD1-CG 3.23Å; N265-Q267 WeakPolarHBondContact OD1-CG 3.39Å; N265-Q267 PolarHBondContact OD1-NE2 2.86Å; N265-E293 PolarHBondContact ND2-OE1 2.9Å; N265-V295 HydrophobicContact CB-CG2 4.18Å; N265-V295 WeakPolarHBondContact ND2-CG2 3.43Å
266K93.2Very high90.3Very high163 Ų16346.5 Ų46.571%0.70922%0.223SC*.EExtended strand (participates in β ladder)trans-135.4128179.4-175.8176.8-178.4179.80110M250M250-K266 HydrophobicContact CG-CB 4.46Å; M250-K266 HydrophobicContact CG-CG 4.18Å
267Q93.4Very high90.7Very high27 Ų2744.2 Ų44.213%0.12621%0.21CC..  trans-123172-174.5-64.6-62.2-24.400112.1K249 N265 I271 E293K249-Q267 VanDerWaalsContact CB-O 3.32Å; K249-Q267 WeakPolarHBondContact CB-O 3.34Å; K249-Q267 PolarHBondContact O-N 3.43Å; N265-Q267 PolarHBondContact ND2-NE2 3.41Å; N265-Q267 VanDerWaalsContact OD1-CG 3.23Å; N265-Q267 WeakPolarHBondContact OD1-CG 3.39Å; N265-Q267 PolarHBondContact OD1-NE2 2.86Å; Q267-I271 HydrophobicContact CB-CD1 4.15Å; Q267-I271 HydrophobicContact CB-CG1 4.09Å; Q267-I271 HydrophobicContact CG-CD1 3.73Å; Q267-I271 HydrophobicContact CG-CG1 3.98Å; Q267-E293 PolarHBondContact NE2-OE2 3.25Å
268Q91.4Very high90.9Very high155 Ų15544.7 Ų44.772%0.72421%0.214SC*.SBendtrans-87.4-26.2177.9-65.2-173.8-9.600113.3K249K249-Q268 VanDerWaalsContact CD-O 3.28Å; K249-Q268 WeakPolarHBondContact CD-O 3.31Å; K249-Q268 VanDerWaalsContact CE-O 3.29Å; K249-Q268 WeakPolarHBondContact CE-O 3.28Å; K249-Q268 PolarHBondContact NZ-O 3.35Å
269T94.4Very high90.6Very high36 Ų3647.8 Ų47.822%0.22125%0.247CC..SBendtrans-121.9174.6-178.667.90000111K249 D289K249-T269 WeakPolarHBondContact CB-O 3.46Å; K249-T269 WeakPolarHBondContact CG-O 3.45Å; T269-D289 HydrophobicContact CG2-CB 3.86Å; T269-D289 PolarHBondContact OG1-N 3.39Å; T269-D289 PolarHBondContact OG1-OD1 3.04Å
270W95.3Very high90.6Very high102 Ų10251.9 Ų51.939%0.38626%0.261SS..  trans-60.7140.9178-70.511.9000110.6S247 W272 C287 Q288S247-W270 VanDerWaalsContact CB-CZ2 3.49Å; S247-W270 PolarHBondContact O-NE1 2.74Å; W270-W272 AromaticContact CE3-CH2 3.95Å; W270-W272 HydrophobicContact CE3-CH2 3.95Å; W270-W272 AromaticContact CE3-CZ2 3.81Å; W270-W272 HydrophobicContact CE3-CZ2 3.81Å; W270-W272 HydrophobicContact CZ3-CH2 4.06Å; W270-W272 HydrophobicContact CZ3-CZ2 4.29Å; W270-C287 CarbonylContact O-C 3.54Å; W270-C287 WeakPolarHBondContact O-CA 3.5Å; W270-Q288 HydrophobicContact CB-CB 4.43Å; W270-Q288 PolarHBondContact O-N 3.21Å
271I96.6Very high90.5Very high0 Ų046.8 Ų46.80%025%0.245CC..EExtended strand (participates in β ladder)trans-98.5116.1173.3-53.7-179.8000106.6C230 C245 G246 C251 Q267 V285C230-I271 VanDerWaalsContact CB-O 3.25Å; C230-I271 WeakPolarHBondContact CB-O 3.09Å; C245-I271 HydrophobicContact CB-CB 3.88Å; C245-I271 HydrophobicContact CB-CG2 3.6Å; G246-I271 PolarHBondContact O-N 2.78Å; C251-I271 HydrophobicContact CB-CD1 4.32Å; Q267-I271 HydrophobicContact CB-CD1 4.15Å; Q267-I271 HydrophobicContact CB-CG1 4.09Å; Q267-I271 HydrophobicContact CG-CD1 3.73Å; Q267-I271 HydrophobicContact CG-CG1 3.98Å; I271-V285 HydrophobicContact CG2-CB 3.83Å; I271-V285 HydrophobicContact CG2-CG1 4.19Å
272W95.1Very high90.7Very high31 Ų3146.8 Ų46.812%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-87.7-36.9-175.4-78.5108.7000113.3I21 W22 W185 C230 W270 G286I21-W272 WeakPolarHBondContact O-CB 3.49Å; W22-W272 HydrophobicContact CZ3-CD2 4.43Å; W22-W272 HydrophobicContact CZ3-CZ2 4.39Å; W185-W272 HydrophobicContact CH2-CZ3 4.12Å; W185-W272 HydrophobicContact CZ2-CE3 4.03Å; W185-W272 AromaticContact CZ2-CZ3 3.55Å; W185-W272 HydrophobicContact CZ2-CZ3 3.55Å; C230-W272 CarbonylContact C-O 3.49Å; C230-W272 HydrophobicContact CB-CE3 4.05Å; C230-W272 WeakPolarHBondContact CB-O 3.47Å; W270-W272 AromaticContact CE3-CH2 3.95Å; W270-W272 HydrophobicContact CE3-CH2 3.95Å; W270-W272 AromaticContact CE3-CZ2 3.81Å; W270-W272 HydrophobicContact CE3-CZ2 3.81Å; W270-W272 HydrophobicContact CZ3-CH2 4.06Å; W270-W272 HydrophobicContact CZ3-CZ2 4.29Å; W272-G286 PolarHBondContact N-O 2.99Å
273C95.2Very high91Very high1 Ų146 Ų461%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-140.7148.1-173.649.60000110.8L24 G286L24-C273 HydrophobicContact CD2-CB 4.4Å; L24-C273 VanDerWaalsContact CD2-SG 3.5Å; L24-C273 HydrophobicContact CG-CB 4.01Å; L24-C273 VanDerWaalsContact CG-SG 3.56Å; C273-G286 PolarHBondContact O-N 3.41Å
274C95.3Very high91.3Very high5 Ų543 Ų433%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-141.9146.4169.861.60000110N231 C245 I283 V284 V285N231-C274 PolarHBondContact OD1-O 3.46Å; N231-C274 VanDerWaalsContact OD1-O 3.09Å; C245-C274 VanDerWaalsContact SG-SG 3.66Å; C274-I283 HydrophobicContact CB-CG2 4.28Å; C274-V284 WeakPolarHBondContact CA-O 3.41Å; C274-V284 WeakPolarHBondContact CB-O 3.48Å; C274-V285 HydrophobicContact CB-CG1 4.1Å
275C93.3Very high91.6Very high24 Ų2442.8 Ų42.816%0.16222%0.216CC..EExtended strand (participates in β ladder)trans-143.1149178.9-173.20000110L24 Y26 I283 V284L24-C275 HydrophobicContact CD1-CB 3.2Å; Y26-C275 HydrophobicContact CD2-CB 4.39Å; C275-I283 WeakPolarHBondContact O-CA 3.34Å; C275-V284 HydrophobicContact CB-CG1 4.11Å; C275-V284 PolarHBondContact N-O 3.02Å; C275-V284 PolarHBondContact O-N 2.67Å
276T91.7Very high91.8Very high15 Ų1542.2 Ų42.29%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-98.5140-179.757.50000110Y26 T233 W234 F235 I283Y26-T276 WeakPolarHBondContact CD2-O 3.33Å; T233-T276 HydrophobicContact CG2-CG2 3.75Å; W234-T276 VanDerWaalsContact O-CG2 3.24Å; W234-T276 WeakPolarHBondContact O-CG2 3.31Å; W234-T276 PolarHBondContact O-OG1 2.99Å; F235-T276 HydrophobicContact CB-CG2 4.06Å; F235-T276 HydrophobicContact CD2-CG2 3.75Å; F235-T276 HydrophobicContact CG-CG2 4.41Å; T276-I283 HydrophobicContact CG2-CD1 4.47Å; T276-I283 HydrophobicContact CG2-CG1 4.22Å
277R90.2Very high92Very high10 Ų1034.5 Ų34.54%0.03818%0.18CC..  trans-86114.3174.2-169.1-176.1179.4-176.2-2.6109.4Y26 G30 D47 G279 Y280 Q282Y26-R277 HydrophobicContact CD1-CB 4.47Å; Y26-R277 HydrophobicContact CD1-CG 4.09Å; Y26-R277 HydrophobicContact CD2-CB 4Å; Y26-R277 HydrophobicContact CD2-CG 4.45Å; Y26-R277 HydrophobicContact CE1-CB 4.25Å; Y26-R277 HydrophobicContact CE1-CG 4.03Å; Y26-R277 HydrophobicContact CE2-CB 3.73Å; Y26-R277 HydrophobicContact CE2-CG 4.37Å; Y26-R277 HydrophobicContact CG-CB 4.35Å; Y26-R277 HydrophobicContact CG-CG 4.31Å; G30-R277 PolarHBondContact O-NE 2.82Å; G30-R277 PolarHBondContact O-NH2 3.39Å; D47-R277 IonicContact OD1-CZ 3.56Å; D47-R277 VanDerWaalsContact OD1-CZ 3.31Å; D47-R277 IonicContact OD1-NH1 2.97Å; D47-R277 PolarHBondContact OD1-NH1 2.92Å; D47-R277 IonicContact OD1-NH2 3.07Å; D47-R277 PolarHBondContact OD1-NH2 3.16Å; R277-G279 PolarHBondContact O-N 3.31Å; R277-Y280 HydrophobicContact CG-CD2 3.76Å; R277-Y280 HydrophobicContact CG-CG 4.31Å; R277-Y280 PolarHBondContact O-N 3.09Å; R277-Q282 HydrophobicContact CB-CB 4.18Å; R277-Q282 PolarHBondContact N-O 3.21Å; R277-Q282 VanDerWaalsContact N-O 3.08Å
278N83Confident92Very high67 Ų6737.2 Ų37.236%0.35819%0.193SC..THydrogen-bonded Turntrans-53.9129.8-177.1-70.1-8.5000112.1Y280N278-Y280 VanDerWaalsContact O-CD2 3.28Å; N278-Y280 WeakPolarHBondContact O-CD2 3.11Å; N278-Y280 PolarHBondContact O-N 3.49Å
279G78.8Confident92.1Very high69 Ų6931.1 Ų31.171%0.71117%0.165SC*.THydrogen-bonded Turntrans78.5-3.818000000115.4R277R277-G279 PolarHBondContact O-N 3.31Å
280Y83.3Confident92Very high116 Ų11629.4 Ų29.446%0.45516%0.155SC..SBendtrans-118145.3176.2-62.8-94.4000110R277 N278 Q282R277-Y280 HydrophobicContact CG-CD2 3.76Å; R277-Y280 HydrophobicContact CG-CG 4.31Å; R277-Y280 PolarHBondContact O-N 3.09Å; N278-Y280 VanDerWaalsContact O-CD2 3.28Å; N278-Y280 WeakPolarHBondContact O-CD2 3.11Å; N278-Y280 PolarHBondContact O-N 3.49Å; Y280-Q282 PolarHBondContact O-N 2.91Å
281N86.8Confident91.9Very high48 Ų4825 Ų2526%0.25714%0.139SC..SBendtrans-76.946.2170.3-70.2-20.1000111.1F235 Q296 L297F235-N281 HydrophobicContact CZ-CB 4.05Å; N281-Q296 CarbonylContact O-C 3.55Å; N281-Q296 WeakPolarHBondContact O-CA 3.39Å; N281-L297 HydrophobicContact CB-CB 4.42Å; N281-L297 WeakPolarHBondContact CB-O 3.49Å; N281-L297 PolarHBondContact O-N 2.92Å
282Q91.3Very high91.9Very high14 Ų1425 Ų257%0.06514%0.139CC..EExtended strand (participates in β ladder)trans-119.5139.6-174.8-71.4178.4-6.700111.4V6 R277 Y280 T294 V295 Q296V6-Q282 HydrophobicContact CG2-CG 4.43Å; R277-Q282 HydrophobicContact CB-CB 4.18Å; R277-Q282 PolarHBondContact N-O 3.21Å; R277-Q282 VanDerWaalsContact N-O 3.08Å; Y280-Q282 PolarHBondContact O-N 2.91Å; Q282-T294 HydrophobicContact CB-CG2 4.17Å; Q282-V295 CarbonylContact C-O 3.57Å; Q282-V295 WeakPolarHBondContact CA-O 3.37Å; Q282-Q296 HydrophobicContact CG-CB 3.89Å; Q282-Q296 HydrophobicContact CG-CG 4.05Å
283I92.7Very high91.9Very high2 Ų224.5 Ų24.51%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-127.9132.7174.8-55.5-171.3000108.5F235 A243 I264 C274 C275 T276 T294 V295 L297F235-I283 HydrophobicContact CB-CD1 4.4Å; F235-I283 HydrophobicContact CD2-CD1 3.42Å; F235-I283 VanDerWaalsContact CD2-CD1 3.42Å; F235-I283 HydrophobicContact CD2-CG1 3.46Å; F235-I283 VanDerWaalsContact CD2-CG1 3.46Å; F235-I283 HydrophobicContact CE2-CD1 3.84Å; F235-I283 HydrophobicContact CE2-CG1 3.54Å; F235-I283 HydrophobicContact CG-CD1 3.92Å; F235-I283 HydrophobicContact CG-CG1 4.43Å; A243-I283 HydrophobicContact CB-CD1 3.72Å; I264-I283 HydrophobicContact CD1-CD1 3.57Å; C274-I283 HydrophobicContact CB-CG2 4.28Å; C275-I283 WeakPolarHBondContact O-CA 3.34Å; T276-I283 HydrophobicContact CG2-CD1 4.47Å; T276-I283 HydrophobicContact CG2-CG1 4.22Å; I283-T294 WeakPolarHBondContact O-CA 3.28Å; I283-V295 PolarHBondContact N-O 3.38Å; I283-V295 PolarHBondContact O-N 3.36Å; I283-L297 HydrophobicContact CD1-CD1 4.11Å; I283-L297 HydrophobicContact CG1-CD1 4.43Å
284V95.3Very high91.8Very high0 Ų024.5 Ų24.50%014%0.138CC..EExtended strand (participates in β ladder)trans-101.5144.1169.869.10000110.4W7 L24 Y26 L33 C274 C275 L292 E293 T294W7-V284 HydrophobicContact CH2-CG2 4.03Å; L24-V284 HydrophobicContact CD1-CG1 3.67Å; L24-V284 HydrophobicContact CD2-CG1 4.24Å; Y26-V284 HydrophobicContact CD2-CG1 4.41Å; Y26-V284 HydrophobicContact CE2-CB 4.15Å; Y26-V284 HydrophobicContact CE2-CG1 3.54Å; L33-V284 HydrophobicContact CD1-CG1 3.96Å; L33-V284 HydrophobicContact CD2-CG1 4.48Å; L33-V284 HydrophobicContact CD2-CG2 3.9Å; C274-V284 WeakPolarHBondContact CA-O 3.41Å; C274-V284 WeakPolarHBondContact CB-O 3.48Å; C275-V284 HydrophobicContact CB-CG1 4.11Å; C275-V284 PolarHBondContact N-O 3.02Å; C275-V284 PolarHBondContact O-N 2.67Å; V284-L292 HydrophobicContact CG2-CD1 3.83Å; V284-L292 HydrophobicContact CG2-CG 4.05Å; V284-E293 CarbonylContact C-O 3.56Å; V284-E293 VanDerWaalsContact CA-O 3.28Å; V284-E293 WeakPolarHBondContact CA-O 3.29Å; V284-E293 WeakPolarHBondContact CG2-O 3.49Å; V284-T294 WeakPolarHBondContact CG2-OG1 3.43Å
285V96.3Very high91.8Very high2 Ų224.5 Ų24.51%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-124.5141.8176.5-64.70000111C251 I271 C274 L292 E293C251-V285 HydrophobicContact CB-CG1 3.88Å; I271-V285 HydrophobicContact CG2-CB 3.83Å; I271-V285 HydrophobicContact CG2-CG1 4.19Å; C274-V285 HydrophobicContact CB-CG1 4.1Å; V285-L292 WeakPolarHBondContact O-CA 2.96Å; V285-E293 HydrophobicContact CG2-CB 3.94Å; V285-E293 WeakPolarHBondContact CG2-O 3.33Å; V285-E293 PolarHBondContact N-O 3.44Å; V285-E293 PolarHBondContact O-N 3.17Å; V285-E293 VanDerWaalsContact O-N 3.15Å
286G96Very high91.6Very high0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-118.5128.6176.200000111.6W272 C273W272-G286 PolarHBondContact N-O 2.99Å; C273-G286 PolarHBondContact O-N 3.41Å
287C96.2Very high91.5Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-110.6161.6-171.2-52.50000113.8I21 W270 D289 G290 T291I21-C287 PolarHBondContact N-O 3.19Å; W270-C287 CarbonylContact O-C 3.54Å; W270-C287 WeakPolarHBondContact O-CA 3.5Å; C287-D289 VanDerWaalsContact CB-OD1 3.32Å; C287-D289 WeakPolarHBondContact CB-OD1 3.46Å; C287-D289 PolarHBondContact O-N 3.14Å; C287-G290 PolarHBondContact O-N 3.1Å; C287-G290 VanDerWaalsContact O-N 3.09Å; C287-T291 PolarHBondContact N-O 3.41Å; C287-T291 PolarHBondContact SG-O 3.43Å
288Q94.3Very high91.2Very high85 Ų8529.1 Ų29.140%0.39716%0.158SC..THydrogen-bonded Turntrans-58-33.7175.9175.46329.500113.3C20 W270 G290C20-Q288 WeakPolarHBondContact CA-O 3.4Å; C20-Q288 PolarHBondContact SG-OE1 3.22Å; W270-Q288 HydrophobicContact CB-CB 4.43Å; W270-Q288 PolarHBondContact O-N 3.21Å; Q288-G290 VanDerWaalsContact C-N 3.26Å; Q288-G290 PolarHBondContact O-N 3.5Å
289D92.3Very high91Very high27 Ų2728.4 Ų28.414%0.14415%0.154CC..THydrogen-bonded Turntrans-87.911.9179.672.6-23.4000114K10 T18 T269 C287 T291K10-D289 IonicContact NZ-OD2 3.98Å; K10-D289 PolarHBondContact NZ-OD2 3.01Å; T18-D289 VanDerWaalsContact CB-O 3.24Å; T18-D289 WeakPolarHBondContact CB-O 3.34Å; T269-D289 HydrophobicContact CG2-CB 3.86Å; T269-D289 PolarHBondContact OG1-N 3.39Å; T269-D289 PolarHBondContact OG1-OD1 3.04Å; C287-D289 VanDerWaalsContact CB-OD1 3.32Å; C287-D289 WeakPolarHBondContact CB-OD1 3.46Å; C287-D289 PolarHBondContact O-N 3.14Å; D289-T291 VanDerWaalsContact C-N 3.32Å; D289-T291 VanDerWaalsContact OD1-CB 3.31Å; D289-T291 WeakPolarHBondContact OD1-CB 3.37Å; D289-T291 PolarHBondContact OD1-N 3.27Å; D289-T291 PolarHBondContact OD1-OG1 3.28Å; D289-T291 PolarHBondContact OD2-OG1 3.38Å; D289-T291 VanDerWaalsContact OD2-OG1 3.09Å
290G92.3Very high91Very high0 Ų030.3 Ų30.30%015%0.148CC..SBendtrans80.28.2-179.400000114.7K10 V11 N19 I21 C287 Q288 L292K10-G290 CarbonylContact C-O 3.55Å; K10-G290 WeakPolarHBondContact CA-O 3.39Å; V11-G290 PolarHBondContact N-O 3Å; N19-G290 WeakPolarHBondContact O-CA 3.24Å; N19-G290 PolarHBondContact O-N 3.09Å; I21-G290 WeakPolarHBondContact CD1-O 3.3Å; C287-G290 PolarHBondContact O-N 3.1Å; C287-G290 VanDerWaalsContact O-N 3.09Å; Q288-G290 VanDerWaalsContact C-N 3.26Å; Q288-G290 PolarHBondContact O-N 3.5Å; G290-L292 PolarHBondContact O-N 3.31Å
291T94.9Very high90.8Very high9 Ų928.5 Ų28.56%0.05515%0.15CC..EExtended strand (participates in β ladder)trans-70.5125.7175-53.40000110.8K10 I21 C287 D289K10-T291 WeakPolarHBondContact CE-OG1 3.27Å; I21-T291 VanDerWaalsContact CD1-O 3.3Å; I21-T291 WeakPolarHBondContact CD1-O 3.42Å; C287-T291 PolarHBondContact N-O 3.41Å; C287-T291 PolarHBondContact SG-O 3.43Å; D289-T291 VanDerWaalsContact C-N 3.32Å; D289-T291 VanDerWaalsContact OD1-CB 3.31Å; D289-T291 WeakPolarHBondContact OD1-CB 3.37Å; D289-T291 PolarHBondContact OD1-N 3.27Å; D289-T291 PolarHBondContact OD1-OG1 3.28Å; D289-T291 PolarHBondContact OD2-OG1 3.38Å; D289-T291 VanDerWaalsContact OD2-OG1 3.09Å
292L94.9Very high90.8Very high0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-117.4120.2174-168.376.3000108.7W7 S8 F9 V11 I21 L24 L33 V35 Y44 V284 V285 G290W7-L292 HydrophobicContact CH2-CD2 3.94Å; W7-L292 HydrophobicContact CH2-CG 4.17Å; W7-L292 HydrophobicContact CZ3-CB 4.49Å; W7-L292 HydrophobicContact CZ3-CD2 3.9Å; W7-L292 HydrophobicContact CZ3-CG 3.91Å; S8-L292 WeakPolarHBondContact CA-O 3.43Å; F9-L292 HydrophobicContact CE1-CD2 4.29Å; F9-L292 HydrophobicContact CE2-CB 4.3Å; F9-L292 HydrophobicContact CE2-CD2 4Å; F9-L292 HydrophobicContact CZ-CB 4.43Å; F9-L292 HydrophobicContact CZ-CD2 3.58Å; F9-L292 PolarHBondContact N-O 3.23Å; F9-L292 PolarHBondContact O-N 2.92Å; V11-L292 HydrophobicContact CG2-CB 4.36Å; I21-L292 HydrophobicContact CD1-CB 3.92Å; I21-L292 HydrophobicContact CD1-CD1 4.01Å; L24-L292 HydrophobicContact CD2-CD1 3.81Å; L33-L292 HydrophobicContact CD2-CD1 4.43Å; L33-L292 HydrophobicContact CD2-CD2 3.79Å; L33-L292 HydrophobicContact CD2-CG 4.43Å; V35-L292 HydrophobicContact CG1-CD1 4.5Å; V35-L292 HydrophobicContact CG2-CD1 4.16Å; V35-L292 HydrophobicContact CG2-CD2 3.88Å; Y44-L292 HydrophobicContact CD2-CD2 4.31Å; Y44-L292 HydrophobicContact CE2-CD2 4.29Å; V284-L292 HydrophobicContact CG2-CD1 3.83Å; V284-L292 HydrophobicContact CG2-CG 4.05Å; V285-L292 WeakPolarHBondContact O-CA 2.96Å; G290-L292 PolarHBondContact O-N 3.31Å
293E95Very high90.8Very high21 Ų2130.3 Ų30.310%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-137.6133.3-174.4-179.5170.3150.300111.5Q5 S8 N265 Q267 V284 V285 V295Q5-E293 HydrophobicContact CG-CG 4.49Å; S8-E293 PolarHBondContact OG-OE2 3.33Å; N265-E293 PolarHBondContact ND2-OE1 2.9Å; Q267-E293 PolarHBondContact NE2-OE2 3.25Å; V284-E293 CarbonylContact C-O 3.56Å; V284-E293 VanDerWaalsContact CA-O 3.28Å; V284-E293 WeakPolarHBondContact CA-O 3.29Å; V284-E293 WeakPolarHBondContact CG2-O 3.49Å; V285-E293 HydrophobicContact CG2-CB 3.94Å; V285-E293 WeakPolarHBondContact CG2-O 3.33Å; V285-E293 PolarHBondContact N-O 3.44Å; V285-E293 PolarHBondContact O-N 3.17Å; V285-E293 VanDerWaalsContact O-N 3.15Å; E293-V295 HydrophobicContact CG-CG2 4.17Å
294T94.9Very high90.6Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-109.6127.6173.6-63.10000110.6V6 W7 Q282 I283 V284V6-T294 HydrophobicContact CB-CG2 4.19Å; V6-T294 HydrophobicContact CG2-CG2 4.13Å; V6-T294 PolarHBondContact N-O 2.91Å; W7-T294 VanDerWaalsContact CE2-OG1 3.3Å; W7-T294 WeakPolarHBondContact CH2-OG1 3.28Å; W7-T294 WeakPolarHBondContact CZ2-OG1 3.39Å; W7-T294 PolarHBondContact O-N 3.43Å; Q282-T294 HydrophobicContact CB-CG2 4.17Å; I283-T294 WeakPolarHBondContact O-CA 3.28Å; V284-T294 WeakPolarHBondContact CG2-OG1 3.43Å
295V93.6Very high90.3Very high5 Ų532.7 Ų32.73%0.0317%0.169CC..EExtended strand (participates in β ladder)trans-118.5135.6179.4-177.70000109.6T3 I264 N265 Q282 I283 E293T3-V295 HydrophobicContact CG2-CG1 4.06Å; I264-V295 HydrophobicContact CG2-CG1 4.22Å; N265-V295 HydrophobicContact CB-CG2 4.18Å; N265-V295 WeakPolarHBondContact ND2-CG2 3.43Å; Q282-V295 CarbonylContact C-O 3.57Å; Q282-V295 WeakPolarHBondContact CA-O 3.37Å; I283-V295 PolarHBondContact N-O 3.38Å; I283-V295 PolarHBondContact O-N 3.36Å; E293-V295 HydrophobicContact CG-CG2 4.17Å
296Q90.7Very high89.8Confident72 Ų7234.2 Ų34.234%0.33618%0.175SC..EExtended strand (participates in β ladder)trans-100.3130.5172.2-176.7169.1-12.300110.6T3 A4 V6 N281 Q282 L298T3-Q296 CarbonylContact C-O 3.54Å; T3-Q296 WeakPolarHBondContact CA-O 3.36Å; A4-Q296 PolarHBondContact N-O 3.27Å; A4-Q296 PolarHBondContact O-N 2.88Å; V6-Q296 HydrophobicContact CG2-CB 3.76Å; N281-Q296 CarbonylContact O-C 3.55Å; N281-Q296 WeakPolarHBondContact O-CA 3.39Å; Q282-Q296 HydrophobicContact CG-CB 3.89Å; Q282-Q296 HydrophobicContact CG-CG 4.05Å; Q296-L298 HydrophobicContact CG-CD2 4.49Å
297L87.9Confident89.1Confident2 Ų239.7 Ų39.71%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-86.2120.6172.7-77149.6000109.7M1 T3 F235 I264 N281 I283 L299M1-L297 HydrophobicContact CE-CD2 4Å; M1-L297 HydrophobicContact CG-CD2 3.96Å; M1-L297 HydrophobicContact SD-CD2 3.76Å; T3-L297 HydrophobicContact CG2-CD2 3.84Å; T3-L297 HydrophobicContact CG2-CG 4.49Å; F235-L297 HydrophobicContact CD1-CD1 4.18Å; F235-L297 HydrophobicContact CD2-CD1 4.48Å; F235-L297 HydrophobicContact CE1-CD1 3.44Å; F235-L297 VanDerWaalsContact CE1-CD1 3.44Å; F235-L297 HydrophobicContact CE2-CD1 3.79Å; F235-L297 HydrophobicContact CZ-CB 4.08Å; F235-L297 HydrophobicContact CZ-CD1 3.21Å; F235-L297 HydrophobicContact CZ-CG 4.25Å; I264-L297 HydrophobicContact CD1-CD1 4.25Å; I264-L297 HydrophobicContact CG1-CD1 4.47Å; I264-L297 HydrophobicContact CG1-CD2 4.44Å; I264-L297 HydrophobicContact CG2-CD1 4.02Å; I264-L297 HydrophobicContact CG2-CD2 4.14Å; I264-L297 HydrophobicContact CG2-CG 4.09Å; N281-L297 HydrophobicContact CB-CB 4.42Å; N281-L297 WeakPolarHBondContact CB-O 3.49Å; N281-L297 PolarHBondContact O-N 2.92Å; I283-L297 HydrophobicContact CD1-CD1 4.11Å; I283-L297 HydrophobicContact CG1-CD1 4.43Å; L297-L299 HydrophobicContact CB-CG 4.48Å; L297-L299 PolarHBondContact O-N 3.2Å
298L85.2Confident88.4Confident73 Ų7340.3 Ų40.338%0.38220%0.203SC..EExtended strand (participates in β ladder)trans-90.5100.1173.7-57.3176.6000108.1D2 A4 Q296D2-L298 HydrophobicContact CB-CB 4.37Å; D2-L298 HydrophobicContact CB-CD1 4.39Å; D2-L298 WeakPolarHBondContact O-CB 3.19Å; D2-L298 PolarHBondContact O-N 3.47Å; A4-L298 HydrophobicContact CB-CD1 4.2Å; A4-L298 HydrophobicContact CB-CG 4.42Å; Q296-L298 HydrophobicContact CG-CD2 4.49Å
299L79Confident88.1Confident52 Ų5236.5 Ų36.527%0.27219%0.185SC..  trans-101.692-178.8-64.7179.5000109.8M1 L297 L316M1-L299 HydrophobicContact CE-CD2 3.31Å; M1-L299 HydrophobicContact CG-CD2 4.42Å; L297-L299 HydrophobicContact CB-CG 4.48Å; L297-L299 PolarHBondContact O-N 3.2Å; L299-L316 HydrophobicContact CD1-CD2 4.5Å; L299-L316 HydrophobicContact CD2-CD1 4.46Å; L299-L316 HydrophobicContact CD2-CD2 3.86Å
300D77.5Confident88Confident108 Ų10835.2 Ų35.258%0.57818%0.178SC*.  trans-67.5140.4176.1-61.8-37.8000111.1V302 R313D300-V302 PolarHBondContact O-N 3.12Å; D300-R313 PolarHBondContact O-NH2 3.32Å
301P79.6Confident88Confident78 Ų7835.2 Ų35.251%0.50618%0.178SC..  trans-64.9130.9170.828.6-33.3000109.3Y303 N542P301-Y303 HydrophobicContact CB-CD1 4.44Å; P301-N542 VanDerWaalsContact CB-OD1 3.28Å; P301-N542 WeakPolarHBondContact CB-OD1 3.41Å
302V87.7Confident87.8Confident20 Ų2036.3 Ų36.312%0.12118%0.181CC..  trans-117.7112.6179.7179.90000108.2D300 Y312 R313 K339 I341D300-V302 PolarHBondContact O-N 3.12Å; V302-Y312 WeakPolarHBondContact O-CA 3.46Å; V302-R313 HydrophobicContact CB-CB 3.92Å; V302-R313 HydrophobicContact CG1-CB 4.41Å; V302-R313 PolarHBondContact O-N 3.39Å; V302-K339 WeakPolarHBondContact CG2-O 3.5Å; V302-I341 HydrophobicContact CG1-CB 4.15Å; V302-I341 HydrophobicContact CG1-CD1 3.86Å; V302-I341 HydrophobicContact CG1-CG1 3.74Å
303Y90.2Very high87.6Confident80 Ų8037.7 Ų37.731%0.31419%0.186SC..EExtended strand (participates in β ladder)trans-148.8162.5177.666.3-91.4000111.6P301 Y310 A311 L539P301-Y303 HydrophobicContact CB-CD1 4.44Å; Y303-Y310 HydrophobicContact CD2-CE2 4.03Å; Y303-Y310 HydrophobicContact CG-CE2 4.07Å; Y303-A311 CarbonylContact C-O 3.58Å; Y303-A311 WeakPolarHBondContact CA-O 3.36Å; Y303-A311 WeakPolarHBondContact CB-O 3.22Å; Y303-L539 HydrophobicContact CD1-CD2 4.29Å; Y303-L539 HydrophobicContact CD2-CD2 4.41Å; Y303-L539 HydrophobicContact CE1-CD2 3.55Å; Y303-L539 HydrophobicContact CE2-CD2 3.69Å; Y303-L539 WeakPolarHBondContact OH-CD2 3.41Å
304S89.6Confident87.1Confident19 Ų1938.8 Ų38.813%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-145.8146.9170.9-166.90000109.5A311 S342 L343S304-A311 PolarHBondContact N-O 2.84Å; S304-A311 PolarHBondContact O-N 2.78Å; S304-S342 WeakPolarHBondContact OG-CA 3.48Å; S304-L343 PolarHBondContact OG-N 2.81Å
305F87.3Confident86.3Confident34 Ų3440.1 Ų40.115%0.14920%0.201CC..EExtended strand (participates in β ladder)trans-137.2135-176.4168.9-86.1000109.4K307 R309 Y310 L324 L529 N530 Y537 I544F305-K307 WeakPolarHBondContact CE2-O 3.47Å; F305-K307 WeakPolarHBondContact CZ-O 3.1Å; F305-R309 WeakPolarHBondContact CA-O 3.08Å; F305-Y310 HydrophobicContact CB-CD2 4.42Å; F305-L324 HydrophobicContact CD2-CD1 4.14Å; F305-L324 HydrophobicContact CE2-CD1 3.62Å; F305-L529 HydrophobicContact CB-CD1 4.24Å; F305-L529 HydrophobicContact CD1-CB 4.34Å; F305-L529 HydrophobicContact CG-CD1 4.22Å; F305-N530 HydrophobicContact CD1-CB 4.36Å; F305-N530 HydrophobicContact CE1-CB 3.32Å; F305-N530 HydrophobicContact CZ-CB 3.7Å; F305-Y537 HydrophobicContact CE2-CD1 4.11Å; F305-Y537 HydrophobicContact CE2-CD2 4.39Å; F305-Y537 AromaticContact CE2-CG 3.91Å; F305-Y537 HydrophobicContact CE2-CG 3.91Å; F305-Y537 HydrophobicContact CZ-CD1 4.31Å; F305-Y537 AromaticContact CZ-CD2 3.77Å; F305-Y537 HydrophobicContact CZ-CD2 3.77Å; F305-Y537 HydrophobicContact CZ-CE2 4.38Å; F305-Y537 AromaticContact CZ-CG 3.7Å; F305-Y537 HydrophobicContact CZ-CG 3.7Å; F305-I544 HydrophobicContact CB-CD1 4.08Å; F305-I544 HydrophobicContact CD2-CD1 3.42Å; F305-I544 VanDerWaalsContact CD2-CD1 3.42Å; F305-I544 HydrophobicContact CE2-CD1 4.14Å; F305-I544 HydrophobicContact CG-CD1 4.03Å
306H86.2Confident85.8Confident33 Ų3340.8 Ų40.815%0.15320%0.204CC..EExtended strand (participates in β ladder)trans-145.2116.5172.8177.6-86.5000109.8D308 R309 L343 F344 K345H306-D308 PolarHBondContact O-N 3.01Å; H306-R309 PolarHBondContact N-O 3.04Å; H306-R309 PolarHBondContact O-N 3.24Å; H306-L343 HydrophobicContact CB-CD2 4.14Å; H306-L343 HydrophobicContact CB-CG 4.23Å; H306-F344 AromaticContact CD2-CD2 3.49Å; H306-F344 VanDerWaalsContact CD2-CD2 3.49Å; H306-F344 WeakPolarHBondContact CD2-CD2 3.42Å; H306-F344 AromaticContact CD2-CE2 3.92Å; H306-F344 AromaticContact NE2-CD2 3.69Å; H306-F344 AromaticContact NE2-CE2 3.74Å; H306-K345 PolarHBondContact CE1-N 3.14Å; H306-K345 PolarHBondContact ND1-N 2.76Å
307K82.4Confident85.7Confident116 Ų11637.6 Ų37.650%0.50419%0.189SC..THydrogen-bonded Turntrans57.4-88.3-178.3-67.7-177.6176.1-176.10114.3F305F305-K307 WeakPolarHBondContact CE2-O 3.47Å; F305-K307 WeakPolarHBondContact CZ-O 3.1Å
308D81.7Confident85.7Confident13 Ų1338.1 Ų38.17%0.0719%0.192CC..THydrogen-bonded Turntrans-1261-174.555.5-18.4000112H306 H323 L324 I325 M366H306-D308 PolarHBondContact O-N 3.01Å; D308-H323 IonicContact OD2-CE1 3.22Å; D308-H323 PolarHBondContact OD2-CE1 2.68Å; D308-H323 IonicContact OD2-NE2 3.94Å; D308-H323 PolarHBondContact OD2-NE2 3.19Å; D308-L324 WeakPolarHBondContact O-CB 3.24Å; D308-L324 PolarHBondContact O-N 3.47Å; D308-I325 HydrophobicContact CB-CD1 3.88Å; D308-I325 HydrophobicContact CB-CG1 4.11Å; D308-M366 VanDerWaalsContact OD2-CE 3.32Å; D308-M366 WeakPolarHBondContact OD2-CE 3.32Å
309R87Confident86.1Confident5 Ų534.6 Ų34.62%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-106.8131.9177.1-62.2-176.3-177.6-159.3-2110.4F305 H306 Q322 L343 M366 D368 Y371F305-R309 WeakPolarHBondContact CA-O 3.08Å; H306-R309 PolarHBondContact N-O 3.04Å; H306-R309 PolarHBondContact O-N 3.24Å; R309-Q322 WeakPolarHBondContact CA-O 3.45Å; R309-L343 HydrophobicContact CB-CD2 3.49Å; R309-L343 VanDerWaalsContact CB-CD2 3.49Å; R309-L343 VanDerWaalsContact O-CD2 3.29Å; R309-L343 WeakPolarHBondContact O-CD2 3.23Å; R309-M366 PolarHBondContact NH2-O 3.2Å; R309-M366 VanDerWaalsContact NH2-O 3.14Å; R309-D368 PolarHBondContact NH2-O 3.34Å; R309-D368 VanDerWaalsContact NH2-O 3.13Å; R309-Y371 PolarHBondContact NH1-OH 3Å; R309-Y371 VanDerWaalsContact NH1-OH 3.13Å
310Y90.4Very high86.6Confident0 Ų032.3 Ų32.30%016%0.162CC..EExtended strand (participates in β ladder)trans-121.7118.6178.9176.2-129.5000109.7Y303 F305 Y312 V321 Q322 L539 N542 I544Y303-Y310 HydrophobicContact CD2-CE2 4.03Å; Y303-Y310 HydrophobicContact CG-CE2 4.07Å; F305-Y310 HydrophobicContact CB-CD2 4.42Å; Y310-Y312 AromaticContact CD1-CD1 3.6Å; Y310-Y312 HydrophobicContact CD1-CD1 3.6Å; Y310-Y312 HydrophobicContact CD1-CE1 4.2Å; Y310-Y312 AromaticContact CE1-CD1 3.31Å; Y310-Y312 HydrophobicContact CE1-CD1 3.31Å; Y310-Y312 HydrophobicContact CE1-CE1 4.06Å; Y310-Y312 AromaticContact CE1-CG 3.87Å; Y310-Y312 HydrophobicContact CE1-CG 3.87Å; Y310-V321 CarbonylContact O-C 3.59Å; Y310-V321 WeakPolarHBondContact O-CA 3.3Å; Y310-Q322 PolarHBondContact N-O 3.25Å; Y310-Q322 PolarHBondContact O-N 3.29Å; Y310-L539 HydrophobicContact CE2-CD1 4.37Å; Y310-N542 VanDerWaalsContact OH-C 3.31Å; Y310-N542 PolarHBondContact OH-O 3.47Å; Y310-N542 VanDerWaalsContact OH-O 3.06Å; Y310-I544 HydrophobicContact CD1-CB 4.46Å; Y310-I544 HydrophobicContact CD1-CD1 4.22Å; Y310-I544 HydrophobicContact CD1-CG1 4.17Å; Y310-I544 HydrophobicContact CD2-CD1 3.05Å; Y310-I544 HydrophobicContact CD2-CG1 3.74Å; Y310-I544 HydrophobicContact CE1-CG1 4.15Å; Y310-I544 HydrophobicContact CE2-CD1 3.38Å; Y310-I544 HydrophobicContact CE2-CG1 3.66Å; Y310-I544 HydrophobicContact CG-CB 4.46Å; Y310-I544 HydrophobicContact CG-CD1 3.5Å; Y310-I544 VanDerWaalsContact CG-CD1 3.5Å; Y310-I544 HydrophobicContact CG-CG1 3.96Å
311A91.5Very high87.3Confident0 Ų027.1 Ų27.10%013%0.134CC..EExtended strand (participates in β ladder)trans-108129.6174.700000109.8Y303 S304 V319 V320 V321 I341 L343 L348Y303-A311 CarbonylContact C-O 3.58Å; Y303-A311 WeakPolarHBondContact CA-O 3.36Å; Y303-A311 WeakPolarHBondContact CB-O 3.22Å; S304-A311 PolarHBondContact N-O 2.84Å; S304-A311 PolarHBondContact O-N 2.78Å; A311-V319 HydrophobicContact CB-CG1 4.48Å; A311-V320 CarbonylContact C-O 3.37Å; A311-V320 VanDerWaalsContact CA-O 3.26Å; A311-V320 WeakPolarHBondContact CA-O 3.47Å; A311-V321 HydrophobicContact CB-CG2 4.15Å; A311-I341 HydrophobicContact CB-CG2 3.81Å; A311-L343 HydrophobicContact CB-CD2 4.47Å; A311-L348 HydrophobicContact CB-CD1 3.8Å
312Y91.6Very high87.8Confident31 Ų3125 Ų2512%0.12212%0.118CC..EExtended strand (participates in β ladder)trans-139.3156.917767.2-87.3000111.7V302 Y310 E314 V319 V320V302-Y312 WeakPolarHBondContact O-CA 3.46Å; Y310-Y312 AromaticContact CD1-CD1 3.6Å; Y310-Y312 HydrophobicContact CD1-CD1 3.6Å; Y310-Y312 HydrophobicContact CD1-CE1 4.2Å; Y310-Y312 AromaticContact CE1-CD1 3.31Å; Y310-Y312 HydrophobicContact CE1-CD1 3.31Å; Y310-Y312 HydrophobicContact CE1-CE1 4.06Å; Y310-Y312 AromaticContact CE1-CG 3.87Å; Y310-Y312 HydrophobicContact CE1-CG 3.87Å; Y312-E314 HydrophobicContact CE2-CB 4.13Å; Y312-V319 WeakPolarHBondContact O-CA 3.46Å; Y312-V320 HydrophobicContact CD1-CB 4.26Å; Y312-V320 HydrophobicContact CE1-CB 3.74Å; Y312-V320 HydrophobicContact CE1-CG1 3.71Å; Y312-V320 HydrophobicContact CE2-CB 4.05Å; Y312-V320 HydrophobicContact CE2-CG2 4.35Å; Y312-V320 PolarHBondContact N-O 3.02Å; Y312-V320 PolarHBondContact O-N 2.78Å
313R90Very high87.8Confident30 Ų3024.3 Ų24.311%0.11311%0.113CC..EExtended strand (participates in β ladder)trans-84126.8176.2-176.3179.970.1-177.7-1.4110.6D300 V302 D318 Y337 V338 I341D300-R313 PolarHBondContact O-NH2 3.32Å; V302-R313 HydrophobicContact CB-CB 3.92Å; V302-R313 HydrophobicContact CG1-CB 4.41Å; V302-R313 PolarHBondContact O-N 3.39Å; R313-D318 WeakPolarHBondContact CA-O 3.49Å; R313-Y337 VanDerWaalsContact NH1-CE2 3.28Å; R313-Y337 VanDerWaalsContact NH1-CZ 3.26Å; R313-Y337 PolarHBondContact NH1-OH 3.37Å; R313-V338 HydrophobicContact CB-CG1 4.44Å; R313-V338 WeakPolarHBondContact CD-O 3.44Å; R313-V338 HydrophobicContact CG-CB 3.93Å; R313-V338 HydrophobicContact CG-CG1 4.19Å; R313-V338 PolarHBondContact NH1-O 3.35Å; R313-I341 HydrophobicContact CB-CD1 4.06Å
314E84.6Confident87.5Confident44 Ų4421.1 Ų21.121%0.20610%0.101CC..EExtended strand (participates in β ladder)trans-115.8141.7173.9-167.5170.7-143.100109.6Y312 L316 T317 D318 V320 R331Y312-E314 HydrophobicContact CE2-CB 4.13Å; E314-L316 PolarHBondContact O-N 2.88Å; E314-T317 PolarHBondContact O-N 2.75Å; E314-D318 HydrophobicContact CB-CB 4.45Å; E314-D318 PolarHBondContact N-O 2.75Å; E314-D318 PolarHBondContact O-N 3.41Å; E314-V320 HydrophobicContact CB-CG2 4.07Å; E314-V320 WeakPolarHBondContact OE2-CG2 3.42Å; E314-R331 IonicContact OE1-NH2 3.92Å; E314-R331 IonicContact OE2-CZ 2.79Å; E314-R331 VanDerWaalsContact OE2-CZ 3.29Å; E314-R331 IonicContact OE2-NE 2.82Å; E314-R331 PolarHBondContact OE2-NE 2.78Å; E314-R331 IonicContact OE2-NH2 2.56Å; E314-R331 PolarHBondContact OE2-NH2 3.41Å
315S78.5Confident87.1Confident28 Ų2824.3 Ų24.320%0.19612%0.116CC..THydrogen-bonded Turntrans48.532.1177.7-51.70000115.2E240 T317E240-S315 VanDerWaalsContact CD-OG 3.25Å; E240-S315 VanDerWaalsContact OE2-CA 3.23Å; E240-S315 WeakPolarHBondContact OE2-CA 3.39Å; E240-S315 VanDerWaalsContact OE2-CB 3.26Å; E240-S315 WeakPolarHBondContact OE2-CB 3.21Å; E240-S315 PolarHBondContact OE2-OG 3.49Å; S315-T317 PolarHBondContact O-N 3.34Å; S315-T317 PolarHBondContact O-OG1 3.44Å; S315-T317 VanDerWaalsContact O-OG1 3.11Å
316L84.1Confident87Confident19 Ų1925 Ų2510%0.09912%0.123CC..THydrogen-bonded Turntrans60-11.9-177.4-53.5176.1000116.7M1 L253 L261 L299 E314 Y337 V338M1-L316 HydrophobicContact CE-CD1 3.74Å; L253-L316 HydrophobicContact CD2-CD1 3.96Å; L261-L316 HydrophobicContact CD1-CB 4.23Å; L261-L316 HydrophobicContact CD1-CD1 3.93Å; L299-L316 HydrophobicContact CD1-CD2 4.5Å; L299-L316 HydrophobicContact CD2-CD1 4.46Å; L299-L316 HydrophobicContact CD2-CD2 3.86Å; E314-L316 PolarHBondContact O-N 2.88Å; L316-Y337 HydrophobicContact CB-CD2 4.1Å; L316-Y337 HydrophobicContact CB-CE2 4.3Å; L316-Y337 HydrophobicContact CD2-CE2 4.27Å; L316-V338 PolarHBondContact O-N 2.97Å
317T86.9Confident86.8Confident4 Ų430.4 Ų30.43%0.02515%0.148CC..THydrogen-bonded Turntrans-126.4-22.7-169.549.30000114.1N255 L261 E314 S315 C334 D336 V338N255-T317 HydrophobicContact CB-CG2 4.36Å; L261-T317 HydrophobicContact CD2-CG2 3.21Å; L261-T317 HydrophobicContact CG-CG2 4.5Å; E314-T317 PolarHBondContact O-N 2.75Å; S315-T317 PolarHBondContact O-N 3.34Å; S315-T317 PolarHBondContact O-OG1 3.44Å; S315-T317 VanDerWaalsContact O-OG1 3.11Å; T317-C334 WeakPolarHBondContact O-CB 3.14Å; T317-C334 PolarHBondContact O-N 2.98Å; T317-D336 WeakPolarHBondContact CA-O 3.45Å; T317-V338 WeakPolarHBondContact O-CG2 3.34Å
318D88.8Confident86.9Confident13 Ų1329.5 Ų29.57%0.0715%0.146CC..EExtended strand (participates in β ladder)trans-101146.2-178.6-72.4-4.3000109.7R313 E314 R331 K333R313-D318 WeakPolarHBondContact CA-O 3.49Å; E314-D318 HydrophobicContact CB-CB 4.45Å; E314-D318 PolarHBondContact N-O 2.75Å; E314-D318 PolarHBondContact O-N 3.41Å; D318-R331 HydrophobicContact CB-CG 4.3Å; D318-R331 WeakPolarHBondContact OD2-CD 3.42Å; D318-K333 WeakPolarHBondContact OD1-CA 3.44Å
319V92.6Very high87.2Confident0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-112.4120.9169.8176.10000107.9A311 Y312 V321 I332 V338 I341 L348 I350A311-V319 HydrophobicContact CB-CG1 4.48Å; Y312-V319 WeakPolarHBondContact O-CA 3.46Å; V319-V321 HydrophobicContact CG1-CG2 4.48Å; V319-I332 HydrophobicContact CB-CB 4.41Å; V319-I332 PolarHBondContact N-O 2.97Å; V319-I332 PolarHBondContact O-N 3.36Å; V319-V338 HydrophobicContact CG2-CB 4.43Å; V319-V338 HydrophobicContact CG2-CG1 3.88Å; V319-V338 HydrophobicContact CG2-CG2 3.78Å; V319-I341 HydrophobicContact CB-CD1 4.34Å; V319-I341 HydrophobicContact CG1-CD1 3.85Å; V319-I341 HydrophobicContact CG1-CG1 4.43Å; V319-I341 HydrophobicContact CG1-CG2 4.41Å; V319-I341 HydrophobicContact CG2-CD1 3.72Å; V319-I341 HydrophobicContact CG2-CG1 4.05Å; V319-L348 HydrophobicContact CG1-CD2 4.26Å; V319-I350 HydrophobicContact CB-CD1 3.85Å; V319-I350 HydrophobicContact CG1-CD1 4.07Å; V319-I350 HydrophobicContact CG1-CG1 4.49Å; V319-I350 HydrophobicContact CG2-CD1 3.65Å; V319-I350 HydrophobicContact CG2-CG1 3.99Å; V319-I350 HydrophobicContact CG2-CG2 4.07Å
320V91.3Very high87.3Confident3 Ų335.7 Ų35.72%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-103123.6173.6179.30000108.3A311 Y312 E314 K329 A330 R331A311-V320 CarbonylContact C-O 3.37Å; A311-V320 VanDerWaalsContact CA-O 3.26Å; A311-V320 WeakPolarHBondContact CA-O 3.47Å; Y312-V320 HydrophobicContact CD1-CB 4.26Å; Y312-V320 HydrophobicContact CE1-CB 3.74Å; Y312-V320 HydrophobicContact CE1-CG1 3.71Å; Y312-V320 HydrophobicContact CE2-CB 4.05Å; Y312-V320 HydrophobicContact CE2-CG2 4.35Å; Y312-V320 PolarHBondContact N-O 3.02Å; Y312-V320 PolarHBondContact O-N 2.78Å; E314-V320 HydrophobicContact CB-CG2 4.07Å; E314-V320 WeakPolarHBondContact OE2-CG2 3.42Å; V320-K329 HydrophobicContact CG1-CB 4.15Å; V320-K329 HydrophobicContact CG1-CD 4.3Å; V320-K329 HydrophobicContact CG1-CG 4.36Å; V320-A330 WeakPolarHBondContact CA-O 3.32Å; V320-R331 HydrophobicContact CG2-CB 4.38Å; V320-R331 HydrophobicContact CG2-CG 4.19Å
321V91.3Very high87.3Confident0 Ų042.4 Ų42.40%020%0.201CC..EExtended strand (participates in β ladder)trans-101123.9168.1-167.70000107.9Y310 A311 V319 K329 A330 I332 L348 M369 Y371Y310-V321 CarbonylContact O-C 3.59Å; Y310-V321 WeakPolarHBondContact O-CA 3.3Å; A311-V321 HydrophobicContact CB-CG2 4.15Å; V319-V321 HydrophobicContact CG1-CG2 4.48Å; V321-K329 CarbonylContact O-C 3.5Å; V321-K329 WeakPolarHBondContact O-CA 3.42Å; V321-A330 PolarHBondContact N-O 2.72Å; V321-A330 PolarHBondContact O-N 2.81Å; V321-I332 HydrophobicContact CG2-CD1 4.48Å; V321-L348 HydrophobicContact CG2-CD1 4.46Å; V321-L348 HydrophobicContact CG2-CD2 3.76Å; V321-M369 HydrophobicContact CB-CE 4.01Å; V321-M369 HydrophobicContact CG1-CE 3.87Å; V321-M369 WeakPolarHBondContact O-CE 2.97Å; V321-Y371 HydrophobicContact CB-CE2 3.94Å; V321-Y371 HydrophobicContact CG1-CE2 3.86Å; V321-Y371 HydrophobicContact CG2-CD2 4.36Å; V321-Y371 HydrophobicContact CG2-CE2 3.9Å
322Q89.8Confident87.3Confident34 Ų3443.2 Ų43.216%0.15921%0.205CC..EExtended strand (participates in β ladder)trans-113.4131.6177-178175.1-1.200109.7R309 Y310 L324 Q328 K329R309-Q322 WeakPolarHBondContact CA-O 3.45Å; Y310-Q322 PolarHBondContact N-O 3.25Å; Y310-Q322 PolarHBondContact O-N 3.29Å; Q322-L324 HydrophobicContact CG-CD2 4.26Å; Q322-Q328 CarbonylContact C-O 3.57Å; Q322-Q328 WeakPolarHBondContact CA-O 3.27Å; Q322-K329 HydrophobicContact CB-CG 4.11Å; Q322-K329 HydrophobicContact CG-CG 3.96Å
323H87.6Confident87.1Confident4 Ų446.9 Ų46.92%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-86.3117.2165.8-167.4-42.8000108.2D308 I325 T326 E327 Q328 M366 M369D308-H323 IonicContact OD2-CE1 3.22Å; D308-H323 PolarHBondContact OD2-CE1 2.68Å; D308-H323 IonicContact OD2-NE2 3.94Å; D308-H323 PolarHBondContact OD2-NE2 3.19Å; H323-I325 PolarHBondContact ND1-N 3.06Å; H323-I325 PolarHBondContact O-N 3.37Å; H323-T326 VanDerWaalsContact CB-OG1 3.3Å; H323-T326 WeakPolarHBondContact CB-OG1 3.37Å; H323-T326 PolarHBondContact ND1-N 3.45Å; H323-E327 WeakPolarHBondContact O-CA 3.43Å; H323-E327 PolarHBondContact O-N 2.66Å; H323-Q328 PolarHBondContact N-O 2.84Å; H323-M366 PolarHBondContact CD2-O 3.26Å; H323-M366 VanDerWaalsContact CD2-O 3.29Å; H323-M366 PolarHBondContact NE2-O 3.33Å; H323-M366 VanDerWaalsContact NE2-O 3.13Å; H323-M369 HydrophobicContact CB-CE 4.23Å; H323-M369 HydrophobicContact CB-CG 4.45Å; H323-M369 HydrophobicContact CB-SD 3.82Å
324L83.8Confident87Confident14 Ų1446.1 Ų46.17%0.07322%0.221CC..THydrogen-bonded Turntrans-77.2-20.3-170.4-62.6172.8000113.9F305 D308 Q322 Y537 I544F305-L324 HydrophobicContact CD2-CD1 4.14Å; F305-L324 HydrophobicContact CE2-CD1 3.62Å; D308-L324 WeakPolarHBondContact O-CB 3.24Å; D308-L324 PolarHBondContact O-N 3.47Å; Q322-L324 HydrophobicContact CG-CD2 4.26Å; L324-Y537 HydrophobicContact CB-CE1 3.95Å; L324-Y537 HydrophobicContact CD1-CD1 3.49Å; L324-Y537 VanDerWaalsContact CD1-CD1 3.49Å; L324-Y537 HydrophobicContact CD1-CE1 3.64Å; L324-Y537 HydrophobicContact CD1-CG 4.48Å; L324-Y537 HydrophobicContact CG-CE1 4.48Å; L324-I544 HydrophobicContact CD1-CB 4.23Å; L324-I544 HydrophobicContact CD1-CG2 3.65Å; L324-I544 HydrophobicContact CD2-CB 4.24Å; L324-I544 HydrophobicContact CD2-CG2 4.37Å
325I82.7Confident87Confident86 Ų8652.2 Ų52.244%0.44124%0.242SC..THydrogen-bonded Turntrans-83.4-45.5175.1-54.9174000111.9D308 H323D308-I325 HydrophobicContact CB-CD1 3.88Å; D308-I325 HydrophobicContact CB-CG1 4.11Å; H323-I325 PolarHBondContact ND1-N 3.06Å; H323-I325 PolarHBondContact O-N 3.37Å
326T83.5Confident87.3Confident48 Ų4852.4 Ų52.429%0.29424%0.241SC..THydrogen-bonded Turntrans-92.9-6.9-178.162.50000113.5H323 Q328 K367H323-T326 VanDerWaalsContact CB-OG1 3.3Å; H323-T326 WeakPolarHBondContact CB-OG1 3.37Å; H323-T326 PolarHBondContact ND1-N 3.45Å; T326-Q328 PolarHBondContact O-N 2.74Å; T326-K367 HydrophobicContact CG2-CG 4.36Å
327E82.5Confident87.5Confident146 Ų14652.3 Ų52.368%0.68224%0.239SC*.  trans56.97.8-173.2-59-168.6164.200115.7H323H323-E327 WeakPolarHBondContact O-CA 3.43Å; H323-E327 PolarHBondContact O-N 2.66Å
328Q84.7Confident87.7Confident97 Ų9752.1 Ų52.145%0.45324%0.238SC..  trans-65.5138.8176.5-68.1-178.1-8.700110.8Q322 H323 T326 K367 M369Q322-Q328 CarbonylContact C-O 3.57Å; Q322-Q328 WeakPolarHBondContact CA-O 3.27Å; H323-Q328 PolarHBondContact N-O 2.84Å; T326-Q328 PolarHBondContact O-N 2.74Å; Q328-K367 PolarHBondContact OE1-O 3.49Å; Q328-M369 HydrophobicContact CB-CG 4.17Å
329K88.4Confident87.7Confident129 Ų12953.9 Ų53.956%0.56125%0.245SC*.EExtended strand (participates in β ladder)trans-120.5129.8178.8-64.5-177.6-177.9-177.20110.4V320 V321 Q322V320-K329 HydrophobicContact CG1-CB 4.15Å; V320-K329 HydrophobicContact CG1-CD 4.3Å; V320-K329 HydrophobicContact CG1-CG 4.36Å; V321-K329 CarbonylContact O-C 3.5Å; V321-K329 WeakPolarHBondContact O-CA 3.42Å; Q322-K329 HydrophobicContact CB-CG 4.11Å; Q322-K329 HydrophobicContact CG-CG 3.96Å
330A89Confident87.6Confident19 Ų1956.1 Ų56.116%0.15726%0.255CS..EExtended strand (participates in β ladder)trans-107.7123.2167.400000109.3V320 V321 M369 Y371V320-A330 WeakPolarHBondContact CA-O 3.32Å; V321-A330 PolarHBondContact N-O 2.72Å; V321-A330 PolarHBondContact O-N 2.81Å; A330-M369 HydrophobicContact CB-CB 4.17Å; A330-M369 HydrophobicContact CB-CE 4.11Å; A330-M369 VanDerWaalsContact CB-O 3.27Å; A330-M369 WeakPolarHBondContact CB-O 3.37Å; A330-Y371 HydrophobicContact CB-CD2 4.4Å
331R90Very high87.7Confident141 Ų14156.5 Ų56.553%0.53226%0.257SS..EExtended strand (participates in β ladder)trans-101.7122176.4-176.9178.8-76.2-179.90.7110E314 D318 V320E314-R331 IonicContact OE1-NH2 3.92Å; E314-R331 IonicContact OE2-CZ 2.79Å; E314-R331 VanDerWaalsContact OE2-CZ 3.29Å; E314-R331 IonicContact OE2-NE 2.82Å; E314-R331 PolarHBondContact OE2-NE 2.78Å; E314-R331 IonicContact OE2-NH2 2.56Å; E314-R331 PolarHBondContact OE2-NH2 3.41Å; D318-R331 HydrophobicContact CB-CG 4.3Å; D318-R331 WeakPolarHBondContact OD2-CD 3.42Å; V320-R331 HydrophobicContact CG2-CB 4.38Å; V320-R331 HydrophobicContact CG2-CG 4.19Å
332I91.4Very high87.7Confident18 Ų1856.7 Ų56.79%0.09226%0.258CS..EExtended strand (participates in β ladder)trans-104.6107.6175.6-58.8171.1000108V319 V321 C334 L348 I350 Y359 Y371V319-I332 HydrophobicContact CB-CB 4.41Å; V319-I332 PolarHBondContact N-O 2.97Å; V319-I332 PolarHBondContact O-N 3.36Å; V321-I332 HydrophobicContact CG2-CD1 4.48Å; I332-C334 PolarHBondContact O-N 2.9Å; I332-L348 HydrophobicContact CD1-CD2 3.37Å; I332-I350 HydrophobicContact CD1-CD1 4.39Å; I332-I350 HydrophobicContact CG2-CD1 4.29Å; I332-Y359 HydrophobicContact CD1-CD1 4.27Å; I332-Y359 HydrophobicContact CD1-CE1 4.45Å; I332-Y359 HydrophobicContact CD1-CG 4.37Å; I332-Y359 HydrophobicContact CG2-CE1 3.89Å; I332-Y359 HydrophobicContact CG2-CE2 4.23Å; I332-Y371 HydrophobicContact CD1-CD2 4.48Å; I332-Y371 HydrophobicContact CD1-CG 4.17Å
333K88.4Confident87.7Confident108 Ų10855.2 Ų55.247%0.4725%0.251SS..EExtended strand (participates in β ladder)trans-77.799.4175.5-68-165.7166.3-156.60110.5E257 D318 R335E257-K333 IonicContact OE1-NZ 3.08Å; E257-K333 PolarHBondContact OE1-NZ 2.86Å; D318-K333 WeakPolarHBondContact OD1-CA 3.44Å; K333-R335 VanDerWaalsContact C-N 3.34Å
334C86.3Confident87.7Confident14 Ų1455.3 Ų55.310%0.09525%0.252CS..  trans-79.2-20.5-177-56.50000112.9T317 I332 D336 V338 L352T317-C334 WeakPolarHBondContact O-CB 3.14Å; T317-C334 PolarHBondContact O-N 2.98Å; I332-C334 PolarHBondContact O-N 2.9Å; C334-D336 PolarHBondContact O-N 3.33Å; C334-V338 HydrophobicContact CB-CG2 4.12Å; C334-L352 HydrophobicContact CB-CD1 4.44Å; C334-L352 HydrophobicContact CB-CD2 3.93Å
335R84.5Confident87.7Confident172 Ų17258.1 Ų58.165%0.64926%0.263SS*.SBendtrans55.230.8-178.1-63.1-177.3178.3169.61.6113.2I259 K333I259-R335 HydrophobicContact CD1-CB 3.64Å; I259-R335 HydrophobicContact CD1-CG 3.97Å; I259-R335 WeakPolarHBondContact CG2-O 3.4Å; K333-R335 VanDerWaalsContact C-N 3.34Å
336D86.4Confident87.8Confident32 Ų3255.6 Ų55.617%0.17125%0.251CS..SBendtrans-163160.6-179.1-161.8-6.6000108.9T317 C334 V338 L352 P353T317-D336 WeakPolarHBondContact CA-O 3.45Å; C334-D336 PolarHBondContact O-N 3.33Å; D336-V338 PolarHBondContact O-N 3.48Å; D336-L352 HydrophobicContact CB-CD1 4.11Å; D336-L352 HydrophobicContact CB-CD2 4.18Å; D336-P353 VanDerWaalsContact CG-CD 3.46Å; D336-P353 VanDerWaalsContact OD1-CD 3.28Å; D336-P353 WeakPolarHBondContact OD1-CD 3.17Å; D336-P353 WeakPolarHBondContact OD1-CG 3.43Å; D336-P353 WeakPolarHBondContact OD2-CD 3.49Å
337Y87.8Confident88Confident16 Ų1654.4 Ų54.46%0.06324%0.242CC..  trans-67.5114.7-175.7175.1-110.7000111.9M1 R313 L316 K339 P353M1-Y337 HydrophobicContact CB-CE1 3.93Å; M1-Y337 HydrophobicContact CB-CE2 4.36Å; M1-Y337 HydrophobicContact CE-CE2 4.36Å; R313-Y337 VanDerWaalsContact NH1-CE2 3.28Å; R313-Y337 VanDerWaalsContact NH1-CZ 3.26Å; R313-Y337 PolarHBondContact NH1-OH 3.37Å; L316-Y337 HydrophobicContact CB-CD2 4.1Å; L316-Y337 HydrophobicContact CB-CE2 4.3Å; L316-Y337 HydrophobicContact CD2-CE2 4.27Å; Y337-K339 HydrophobicContact CD1-CG 3.72Å; Y337-K339 HydrophobicContact CE1-CB 4.43Å; Y337-K339 HydrophobicContact CE1-CG 3.62Å; Y337-K339 PolarHBondContact O-N 2.85Å; Y337-P353 HydrophobicContact CD1-CG 4.44Å; Y337-P353 VanDerWaalsContact O-CD 3.28Å; Y337-P353 WeakPolarHBondContact O-CD 3.47Å
338V90.7Very high88.4Confident0 Ų047.4 Ų47.40%021%0.21CC..  trans-77.1108.1177.6176.40000109.1R313 L316 T317 V319 C334 D336 I341 I350 L352R313-V338 HydrophobicContact CB-CG1 4.44Å; R313-V338 WeakPolarHBondContact CD-O 3.44Å; R313-V338 HydrophobicContact CG-CB 3.93Å; R313-V338 HydrophobicContact CG-CG1 4.19Å; R313-V338 PolarHBondContact NH1-O 3.35Å; L316-V338 PolarHBondContact O-N 2.97Å; T317-V338 WeakPolarHBondContact O-CG2 3.34Å; V319-V338 HydrophobicContact CG2-CB 4.43Å; V319-V338 HydrophobicContact CG2-CG1 3.88Å; V319-V338 HydrophobicContact CG2-CG2 3.78Å; C334-V338 HydrophobicContact CB-CG2 4.12Å; D336-V338 PolarHBondContact O-N 3.48Å; V338-I341 HydrophobicContact CG1-CD1 3.97Å; V338-I341 HydrophobicContact CG1-CG1 3.66Å; V338-I350 HydrophobicContact CG1-CG2 4.02Å; V338-I350 HydrophobicContact CG2-CG2 4.12Å; V338-L352 HydrophobicContact CG2-CD2 3.93Å
339K88.9Confident88.8Confident51 Ų5142.8 Ų42.822%0.22219%0.188CC..  trans-76.9-50.4177.2-75179.4172.8173.10111.2V302 Y337 Q351 P353V302-K339 WeakPolarHBondContact CG2-O 3.5Å; Y337-K339 HydrophobicContact CD1-CG 3.72Å; Y337-K339 HydrophobicContact CE1-CB 4.43Å; Y337-K339 HydrophobicContact CE1-CG 3.62Å; Y337-K339 PolarHBondContact O-N 2.85Å; K339-Q351 HydrophobicContact CB-CB 4.5Å; K339-Q351 HydrophobicContact CB-CG 4.15Å; K339-Q351 WeakPolarHBondContact CB-O 3.37Å; K339-Q351 PolarHBondContact N-O 3.38Å; K339-P353 PolarHBondContact NZ-O 3.32Å
340K90.7Very high89Confident47 Ų4736.7 Ų36.720%0.20416%0.162CC..EExtended strand (participates in β ladder)trans-148.4155.9-175.5-59.5-172.1-168.2178.40111.8Q351 C383 Q384 L386K340-Q351 HydrophobicContact CB-CB 4.14Å; K340-Q351 VanDerWaalsContact CD-OE1 3.3Å; K340-Q351 PolarHBondContact N-O 3.28Å; K340-Q351 PolarHBondContact O-N 3.33Å; K340-C383 VanDerWaalsContact NZ-C 3.27Å; K340-C383 PolarHBondContact NZ-O 3.27Å; K340-Q384 PolarHBondContact NZ-O 3.5Å; K340-L386 HydrophobicContact CB-CB 4.01Å; K340-L386 HydrophobicContact CB-CD2 4.07Å; K340-L386 HydrophobicContact CD-CB 4.16Å
341I93.2Very high89.2Confident10 Ų1036 Ų365%0.05116%0.155CC..EExtended strand (participates in β ladder)trans-132141.7178.4-57.3165.6000107.9V302 A311 R313 V319 V338 L348 A349V302-I341 HydrophobicContact CG1-CB 4.15Å; V302-I341 HydrophobicContact CG1-CD1 3.86Å; V302-I341 HydrophobicContact CG1-CG1 3.74Å; A311-I341 HydrophobicContact CB-CG2 3.81Å; R313-I341 HydrophobicContact CB-CD1 4.06Å; V319-I341 HydrophobicContact CB-CD1 4.34Å; V319-I341 HydrophobicContact CG1-CD1 3.85Å; V319-I341 HydrophobicContact CG1-CG1 4.43Å; V319-I341 HydrophobicContact CG1-CG2 4.41Å; V319-I341 HydrophobicContact CG2-CD1 3.72Å; V319-I341 HydrophobicContact CG2-CG1 4.05Å; V338-I341 HydrophobicContact CG1-CD1 3.97Å; V338-I341 HydrophobicContact CG1-CG1 3.66Å; I341-L348 HydrophobicContact CG2-CD1 3.53Å; I341-A349 CarbonylContact C-O 3.58Å; I341-A349 WeakPolarHBondContact CA-O 3.35Å
342S91.6Very high89.2Confident5 Ų529.4 Ų29.44%0.03513%0.131CC..EExtended strand (participates in β ladder)trans-137.4132.4170.3-1590000110.1S304 L348 A349 L386 I387 I388S304-S342 WeakPolarHBondContact OG-CA 3.48Å; S342-L348 CarbonylContact O-C 3.56Å; S342-L348 WeakPolarHBondContact O-CA 3.37Å; S342-A349 PolarHBondContact N-O 2.89Å; S342-A349 PolarHBondContact O-N 3.22Å; S342-L386 VanDerWaalsContact CB-O 3.27Å; S342-L386 WeakPolarHBondContact CB-O 3.49Å; S342-L386 PolarHBondContact OG-O 3.36Å; S342-I387 VanDerWaalsContact OG-CA 3.28Å; S342-I387 WeakPolarHBondContact OG-CA 3.15Å; S342-I388 WeakPolarHBondContact O-CG2 3.32Å; S342-I388 PolarHBondContact OG-N 2.78Å; S342-I388 VanDerWaalsContact OG-N 3.12Å
343L89.9Confident88.9Confident3 Ų330 Ų302%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-122.6131-178.1-173.277.9000109.2S304 H306 R309 A311 L348S304-L343 PolarHBondContact OG-N 2.81Å; H306-L343 HydrophobicContact CB-CD2 4.14Å; H306-L343 HydrophobicContact CB-CG 4.23Å; R309-L343 HydrophobicContact CB-CD2 3.49Å; R309-L343 VanDerWaalsContact CB-CD2 3.49Å; R309-L343 VanDerWaalsContact O-CD2 3.29Å; R309-L343 WeakPolarHBondContact O-CD2 3.23Å; A311-L343 HydrophobicContact CB-CD2 4.47Å; L343-L348 HydrophobicContact CB-CD1 4.41Å; L343-L348 HydrophobicContact CD1-CB 4.02Å; L343-L348 HydrophobicContact CD1-CD1 3.8Å
344F87.6Confident88.9Confident5 Ų531.3 Ų31.32%0.02214%0.143CC..EExtended strand (participates in β ladder)trans-153.2120.9175.8-172.7-104.1000110.8H306 N346 L347 I388 T390 I412 E420H306-F344 AromaticContact CD2-CD2 3.49Å; H306-F344 VanDerWaalsContact CD2-CD2 3.49Å; H306-F344 WeakPolarHBondContact CD2-CD2 3.42Å; H306-F344 AromaticContact CD2-CE2 3.92Å; H306-F344 AromaticContact NE2-CD2 3.69Å; H306-F344 AromaticContact NE2-CE2 3.74Å; F344-N346 PolarHBondContact O-N 3.49Å; F344-L347 PolarHBondContact N-O 2.79Å; F344-L347 WeakPolarHBondContact O-CB 3.47Å; F344-L347 PolarHBondContact O-N 2.65Å; F344-I388 HydrophobicContact CB-CG2 3.8Å; F344-I388 WeakPolarHBondContact CB-O 3.18Å; F344-I388 WeakPolarHBondContact CG-O 3.38Å; F344-T390 HydrophobicContact CE1-CG2 4.07Å; F344-I412 HydrophobicContact CD2-CD1 3.97Å; F344-I412 HydrophobicContact CD2-CG2 4.15Å; F344-I412 HydrophobicContact CE2-CD1 4.47Å; F344-I412 HydrophobicContact CE2-CG2 3.56Å; F344-I412 HydrophobicContact CZ-CG2 4.29Å; F344-E420 VanDerWaalsContact CE1-CD 3.44Å; F344-E420 WeakPolarHBondContact CE1-OE1 3.25Å; F344-E420 VanDerWaalsContact CE1-OE2 3.29Å; F344-E420 WeakPolarHBondContact CE1-OE2 3.31Å; F344-E420 WeakPolarHBondContact CZ-OE1 3.2Å
345K84Confident89Confident74 Ų7433.9 Ų33.932%0.32215%0.153SC..THydrogen-bonded Turntrans49.8-119.3-171.7-58179.8-170.3167.50110.6H306 T390 E420H306-K345 PolarHBondContact CE1-N 3.14Å; H306-K345 PolarHBondContact ND1-N 2.76Å; K345-T390 HydrophobicContact CD-CG2 3.63Å; K345-E420 IonicContact NZ-OE1 2.73Å; K345-E420 PolarHBondContact NZ-OE1 3.43Å
346N83.9Confident89.3Confident33 Ų3325.9 Ų25.918%0.17612%0.123CC..THydrogen-bonded Turntrans-91.7-0.9-177.7-57.4-4.3000112.4F344 E360 S361 D364F344-N346 PolarHBondContact O-N 3.49Å; N346-E360 WeakPolarHBondContact O-CA 3.28Å; N346-S361 PolarHBondContact O-N 3.03Å; N346-D364 PolarHBondContact ND2-OD1 2.87Å
347L88.5Confident89.5Confident22 Ų2225 Ų2512%0.11512%0.118CC..EExtended strand (participates in β ladder)trans-100.3140.9-175.5-60.1172.9000111.8F344 I358 Y359 E360 I388 T390F344-L347 PolarHBondContact N-O 2.79Å; F344-L347 WeakPolarHBondContact O-CB 3.47Å; F344-L347 PolarHBondContact O-N 2.65Å; L347-I358 HydrophobicContact CD2-CG2 4.49Å; L347-Y359 CarbonylContact C-O 3.57Å; L347-Y359 WeakPolarHBondContact CA-O 3.49Å; L347-E360 HydrophobicContact CD2-CB 3.92Å; L347-E360 HydrophobicContact CD2-CG 3.93Å; L347-I388 HydrophobicContact CB-CD1 3.69Å; L347-I388 HydrophobicContact CB-CG1 4.18Å; L347-I388 HydrophobicContact CD1-CD1 4.13Å; L347-I388 HydrophobicContact CD1-CG1 4.22Å; L347-I388 HydrophobicContact CG-CD1 4.46Å; L347-T390 WeakPolarHBondContact CD1-O 3.49Å
348L91.2Very high89.6Confident0 Ų024.6 Ų24.60%012%0.117CC..EExtended strand (participates in β ladder)trans-132.5113.4175.7173.475.8000109.3A311 V319 V321 I332 I341 S342 L343 I350 I358 Y359 Y371A311-L348 HydrophobicContact CB-CD1 3.8Å; V319-L348 HydrophobicContact CG1-CD2 4.26Å; V321-L348 HydrophobicContact CG2-CD1 4.46Å; V321-L348 HydrophobicContact CG2-CD2 3.76Å; I332-L348 HydrophobicContact CD1-CD2 3.37Å; I341-L348 HydrophobicContact CG2-CD1 3.53Å; S342-L348 CarbonylContact O-C 3.56Å; S342-L348 WeakPolarHBondContact O-CA 3.37Å; L343-L348 HydrophobicContact CB-CD1 4.41Å; L343-L348 HydrophobicContact CD1-CB 4.02Å; L343-L348 HydrophobicContact CD1-CD1 3.8Å; L348-I350 HydrophobicContact CD2-CD1 3.84Å; L348-I350 HydrophobicContact CD2-CG1 4.24Å; L348-I350 HydrophobicContact CG-CD1 4.25Å; L348-I350 HydrophobicContact CG-CG1 4.09Å; L348-I358 CarbonylContact O-C 3.5Å; L348-I358 WeakPolarHBondContact O-CA 3.03Å; L348-Y359 PolarHBondContact N-O 2.97Å; L348-Y359 PolarHBondContact O-N 3.29Å; L348-Y371 HydrophobicContact CB-CD1 4.06Å; L348-Y371 HydrophobicContact CB-CE1 3.8Å; L348-Y371 HydrophobicContact CD2-CD1 4.3Å; L348-Y371 HydrophobicContact CD2-CE1 4.41Å
349A91.7Very high89.6Confident0 Ų025.6 Ų25.60%012%0.121CC..EExtended strand (participates in β ladder)trans-94.1131.817100000110.7I341 S342 L357 L386 I388 L393I341-A349 CarbonylContact C-O 3.58Å; I341-A349 WeakPolarHBondContact CA-O 3.35Å; S342-A349 PolarHBondContact N-O 2.89Å; S342-A349 PolarHBondContact O-N 3.22Å; A349-L357 CarbonylContact C-O 3.57Å; A349-L357 WeakPolarHBondContact CA-O 3.19Å; A349-L386 HydrophobicContact CB-CD2 4.14Å; A349-I388 HydrophobicContact CB-CB 4.05Å; A349-I388 HydrophobicContact CB-CD1 3.9Å; A349-I388 HydrophobicContact CB-CG2 4.29Å; A349-L393 HydrophobicContact CB-CD1 4.36Å
350I93.6Very high89.6Confident0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-123.9115.7176.6-60.9169.6000107.9V319 I332 V338 L348 L352 I356 L357 Y359V319-I350 HydrophobicContact CB-CD1 3.85Å; V319-I350 HydrophobicContact CG1-CD1 4.07Å; V319-I350 HydrophobicContact CG1-CG1 4.49Å; V319-I350 HydrophobicContact CG2-CD1 3.65Å; V319-I350 HydrophobicContact CG2-CG1 3.99Å; V319-I350 HydrophobicContact CG2-CG2 4.07Å; I332-I350 HydrophobicContact CD1-CD1 4.39Å; I332-I350 HydrophobicContact CG2-CD1 4.29Å; V338-I350 HydrophobicContact CG1-CG2 4.02Å; V338-I350 HydrophobicContact CG2-CG2 4.12Å; L348-I350 HydrophobicContact CD2-CD1 3.84Å; L348-I350 HydrophobicContact CD2-CG1 4.24Å; L348-I350 HydrophobicContact CG-CD1 4.25Å; L348-I350 HydrophobicContact CG-CG1 4.09Å; I350-L352 HydrophobicContact CG2-CD2 3.88Å; I350-L352 HydrophobicContact CG2-CG 4.32Å; I350-I356 CarbonylContact O-C 3.6Å; I350-I356 WeakPolarHBondContact O-CA 3.49Å; I350-L357 PolarHBondContact N-O 3.11Å; I350-L357 PolarHBondContact O-N 3.14Å; I350-Y359 HydrophobicContact CD1-CD2 3.94Å; I350-Y359 HydrophobicContact CD1-CE2 3.73Å
351Q91.9Very high89.2Confident6 Ų625 Ų253%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-89118.2173.6179.9-176.923.100109.7K339 K340 I356 I381 L386K339-Q351 HydrophobicContact CB-CB 4.5Å; K339-Q351 HydrophobicContact CB-CG 4.15Å; K339-Q351 WeakPolarHBondContact CB-O 3.37Å; K339-Q351 PolarHBondContact N-O 3.38Å; K340-Q351 HydrophobicContact CB-CB 4.14Å; K340-Q351 VanDerWaalsContact CD-OE1 3.3Å; K340-Q351 PolarHBondContact N-O 3.28Å; K340-Q351 PolarHBondContact O-N 3.33Å; Q351-I356 HydrophobicContact CB-CG1 4.26Å; Q351-I356 HydrophobicContact CG-CG1 4.13Å; Q351-I381 PolarHBondContact NE2-O 3.46Å; Q351-L386 HydrophobicContact CB-CD2 3.84Å
352L90.5Very high88Confident2 Ų227.4 Ų27.41%0.0114%0.138CC..  trans-99.5178.3170.9-57178.9000109.2C334 D336 V338 I350 E354 K355 L357C334-L352 HydrophobicContact CB-CD1 4.44Å; C334-L352 HydrophobicContact CB-CD2 3.93Å; D336-L352 HydrophobicContact CB-CD1 4.11Å; D336-L352 HydrophobicContact CB-CD2 4.18Å; V338-L352 HydrophobicContact CG2-CD2 3.93Å; I350-L352 HydrophobicContact CG2-CD2 3.88Å; I350-L352 HydrophobicContact CG2-CG 4.32Å; L352-E354 PolarHBondContact O-N 3.48Å; L352-K355 CarbonylContact C-O 3.42Å; L352-K355 WeakPolarHBondContact CA-O 3.48Å; L352-K355 HydrophobicContact CB-CG 3.95Å; L352-K355 WeakPolarHBondContact CB-O 3.38Å; L352-K355 HydrophobicContact CD1-CD 4.26Å; L352-K355 HydrophobicContact CD1-CG 3.94Å; L352-K355 HydrophobicContact CG-CG 4.43Å; L352-K355 PolarHBondContact N-O 3.21Å; L352-L357 HydrophobicContact CD1-CD1 3.63Å; L352-L357 HydrophobicContact CD1-CG 4.08Å
353P86.3Confident86.7Confident29 Ų2928.9 Ų28.919%0.18815%0.148CC..SBendtrans-62.7-40.6-174.8-25.338.2000114.3D336 Y337 K339D336-P353 VanDerWaalsContact CG-CD 3.46Å; D336-P353 VanDerWaalsContact OD1-CD 3.28Å; D336-P353 WeakPolarHBondContact OD1-CD 3.17Å; D336-P353 WeakPolarHBondContact OD1-CG 3.43Å; D336-P353 WeakPolarHBondContact OD2-CD 3.49Å; Y337-P353 HydrophobicContact CD1-CG 4.44Å; Y337-P353 VanDerWaalsContact O-CD 3.28Å; Y337-P353 WeakPolarHBondContact O-CD 3.47Å; K339-P353 PolarHBondContact NZ-O 3.32Å
354E87.1Confident85.1Confident136 Ų13635.7 Ų35.764%0.63618%0.184SC*.SBendtrans-115.4-4-174.2-63-177.3174.900113.7L352 L378 E379L352-E354 PolarHBondContact O-N 3.48Å; E354-L378 CarbonylContact O-C 3.55Å; E354-E379 CarbonylContact O-C 3.46Å; E354-E379 PolarHBondContact O-N 3.39Å
355K89.7Confident84Confident69 Ų6940.6 Ų40.630%0.321%0.211SC..  trans-152.3157.2-174.863.4-167.6174.8-1600112.8L352 L357 L377 L378L352-K355 CarbonylContact C-O 3.42Å; L352-K355 WeakPolarHBondContact CA-O 3.48Å; L352-K355 HydrophobicContact CB-CG 3.95Å; L352-K355 WeakPolarHBondContact CB-O 3.38Å; L352-K355 HydrophobicContact CD1-CD 4.26Å; L352-K355 HydrophobicContact CD1-CG 3.94Å; L352-K355 HydrophobicContact CG-CG 4.43Å; L352-K355 PolarHBondContact N-O 3.21Å; K355-L357 HydrophobicContact CD-CD2 4.33Å; K355-L377 CarbonylContact C-O 3.54Å; K355-L377 WeakPolarHBondContact CA-O 3.34Å; K355-L377 WeakPolarHBondContact CB-O 3.5Å; K355-L378 HydrophobicContact CB-CD2 3.99Å; K355-L378 HydrophobicContact CD-CD2 4.24Å
356I90.2Very high82.8Confident4 Ų441.5 Ų41.52%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-115.4126.4169-55.8177.6000108I350 Q351 L377 I381 L386I350-I356 CarbonylContact O-C 3.6Å; I350-I356 WeakPolarHBondContact O-CA 3.49Å; Q351-I356 HydrophobicContact CB-CG1 4.26Å; Q351-I356 HydrophobicContact CG-CG1 4.13Å; I356-L377 HydrophobicContact CB-CB 4.18Å; I356-L377 HydrophobicContact CB-CD1 4.35Å; I356-L377 PolarHBondContact N-O 3.45Å; I356-L377 PolarHBondContact O-N 3.43Å; I356-I381 HydrophobicContact CD1-CB 4.39Å; I356-I381 HydrophobicContact CD1-CD1 3.96Å; I356-L386 HydrophobicContact CD1-CD1 4.35Å
357L90.9Very high81.9Confident12 Ų1246.7 Ų46.76%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-105.2132.2176.9-58.9178.9000109.1A349 I350 L352 K355 Y359 K376A349-L357 CarbonylContact C-O 3.57Å; A349-L357 WeakPolarHBondContact CA-O 3.19Å; I350-L357 PolarHBondContact N-O 3.11Å; I350-L357 PolarHBondContact O-N 3.14Å; L352-L357 HydrophobicContact CD1-CD1 3.63Å; L352-L357 HydrophobicContact CD1-CG 4.08Å; K355-L357 HydrophobicContact CD-CD2 4.33Å; L357-Y359 HydrophobicContact CB-CD2 4.29Å; L357-Y359 HydrophobicContact CB-CE2 3.67Å; L357-Y359 HydrophobicContact CD1-CE2 4.21Å; L357-K376 HydrophobicContact CD2-CB 4.13Å; L357-K376 HydrophobicContact CD2-CD 4.14Å; L357-K376 HydrophobicContact CD2-CG 3.72Å
358I90.1Very high81.1Confident8 Ų847.1 Ų47.14%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-113.3121.4176.1-56175000107.6L347 L348 N374 T375 I388 L393L347-I358 HydrophobicContact CD2-CG2 4.49Å; L348-I358 CarbonylContact O-C 3.5Å; L348-I358 WeakPolarHBondContact O-CA 3.03Å; I358-N374 PolarHBondContact O-N 3.5Å; I358-T375 HydrophobicContact CD1-CG2 4.47Å; I358-T375 PolarHBondContact N-O 3.02Å; I358-T375 PolarHBondContact O-N 2.93Å; I358-I388 HydrophobicContact CG1-CD1 4.48Å; I358-I388 HydrophobicContact CG2-CD1 3.66Å; I358-L393 HydrophobicContact CD1-CB 3.2Å; I358-L393 HydrophobicContact CD1-CD1 3.44Å; I358-L393 VanDerWaalsContact CD1-CD1 3.44Å; I358-L393 HydrophobicContact CD1-CD2 4.3Å; I358-L393 HydrophobicContact CD1-CG 3.79Å; I358-L393 HydrophobicContact CG1-CD1 4.09Å
359Y90.5Very high80.5Confident22 Ų2247.9 Ų47.99%0.08624%0.244CC..EExtended strand (participates in β ladder)trans-104.9148.5175.3-66.7-104000109.9I332 L347 L348 I350 L357 R372 I373I332-Y359 HydrophobicContact CD1-CD1 4.27Å; I332-Y359 HydrophobicContact CD1-CE1 4.45Å; I332-Y359 HydrophobicContact CD1-CG 4.37Å; I332-Y359 HydrophobicContact CG2-CE1 3.89Å; I332-Y359 HydrophobicContact CG2-CE2 4.23Å; L347-Y359 CarbonylContact C-O 3.57Å; L347-Y359 WeakPolarHBondContact CA-O 3.49Å; L348-Y359 PolarHBondContact N-O 2.97Å; L348-Y359 PolarHBondContact O-N 3.29Å; I350-Y359 HydrophobicContact CD1-CD2 3.94Å; I350-Y359 HydrophobicContact CD1-CE2 3.73Å; L357-Y359 HydrophobicContact CB-CD2 4.29Å; L357-Y359 HydrophobicContact CB-CE2 3.67Å; L357-Y359 HydrophobicContact CD1-CE2 4.21Å; Y359-R372 CarbonylContact C-O 3.59Å; Y359-R372 WeakPolarHBondContact CA-O 3.36Å; Y359-I373 HydrophobicContact CD1-CG1 3.77Å; Y359-I373 HydrophobicContact CE1-CB 4.45Å; Y359-I373 HydrophobicContact CE1-CD1 4.1Å; Y359-I373 HydrophobicContact CE1-CG1 3.26Å; Y359-I373 HydrophobicContact CE2-CG1 4.35Å; Y359-I373 HydrophobicContact CG-CG1 4.5Å
360E87.9Confident80.1Confident82 Ų8254.3 Ų54.338%0.38327%0.274SS..EExtended strand (participates in β ladder)trans-129.9136.7176-176172.2-170.100109.5N346 L347 R372 N374N346-E360 WeakPolarHBondContact O-CA 3.28Å; L347-E360 HydrophobicContact CD2-CB 3.92Å; L347-E360 HydrophobicContact CD2-CG 3.93Å; E360-R372 PolarHBondContact N-O 3.05Å; E360-R372 PolarHBondContact O-N 3.31Å; E360-N374 HydrophobicContact CB-CB 3.98Å; E360-N374 PolarHBondContact OE2-ND2 3.42Å
361S83.5Confident79.8Confident3 Ų355.7 Ų55.72%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-76128.2173.3-161.40000109.7N346 S363 D368 H370N346-S361 PolarHBondContact O-N 3.03Å; S361-S363 PolarHBondContact O-N 3.24Å; S361-S363 VanDerWaalsContact O-N 3.09Å; S361-D368 PolarHBondContact OG-O 3.06Å; S361-H370 WeakPolarHBondContact CA-O 3.38Å
362S67.9Low79.5Confident61 Ų6163.6 Ų63.643%0.42731%0.309SS..SBendtrans-70.4-2.9-170.442.70000116.2H370S362-H370 PolarHBondContact N-O 3.49Å
363S63.4Low79.3Confident36 Ų3667.2 Ų67.225%0.25233%0.328SS..  trans-141.7148.3175.864.70000111.4S361 D365 D368S361-S363 PolarHBondContact O-N 3.24Å; S361-S363 VanDerWaalsContact O-N 3.09Å; S363-D365 PolarHBondContact O-N 3.31Å; S363-D368 WeakPolarHBondContact OG-CB 3.14Å; S363-D368 VanDerWaalsContact OG-CG 3.24Å; S363-D368 PolarHBondContact OG-OD2 3.04Å
364D57.6Low79.3Confident145 Ų14570 Ų7078%0.77534%0.341SS*.SBendtrans-70-0.4166-84.3-24.6000112.3N346 M366N346-D364 PolarHBondContact ND2-OD1 2.87Å; D364-M366 PolarHBondContact O-N 2.97Å
365D63.3Low79.2Confident109 Ų10966 Ų6658%0.58333%0.326SS*.  trans-72.3117.7179.1-147.6-9.6000108.7S363 K367 D368S363-D365 PolarHBondContact O-N 3.31Å; D365-K367 PolarHBondContact O-N 3.18Å; D365-D368 PolarHBondContact O-N 3.11Å
366M58.1Low79.1Confident93 Ų9368.9 Ų68.946%0.45834%0.338SS..THydrogen-bonded Turntrans-55.4-28.3-169.8-72.3-71-64.400112.4D308 R309 H323 D364D308-M366 VanDerWaalsContact OD2-CE 3.32Å; D308-M366 WeakPolarHBondContact OD2-CE 3.32Å; R309-M366 PolarHBondContact NH2-O 3.2Å; R309-M366 VanDerWaalsContact NH2-O 3.14Å; H323-M366 PolarHBondContact CD2-O 3.26Å; H323-M366 VanDerWaalsContact CD2-O 3.29Å; H323-M366 PolarHBondContact NE2-O 3.33Å; H323-M366 VanDerWaalsContact NE2-O 3.13Å; D364-M366 PolarHBondContact O-N 2.97Å
367K65.1Low78.8Confident142 Ų14269.6 Ų69.662%0.61734%0.342SS*.THydrogen-bonded Turntrans-85.1-14.7-176.7-61.7-178.8-178.9177.70114.8T326 Q328 D365T326-K367 HydrophobicContact CG2-CG 4.36Å; Q328-K367 PolarHBondContact OE1-O 3.49Å; D365-K367 PolarHBondContact O-N 3.18Å
368D71.6Confident78.6Confident31 Ų3175.7 Ų75.717%0.16637%0.374CS..  trans-75.8129.3-178.4-172.57.8000110.9R309 S361 S363 D365 H370R309-D368 PolarHBondContact NH2-O 3.34Å; R309-D368 VanDerWaalsContact NH2-O 3.13Å; S361-D368 PolarHBondContact OG-O 3.06Å; S363-D368 WeakPolarHBondContact OG-CB 3.14Å; S363-D368 VanDerWaalsContact OG-CG 3.24Å; S363-D368 PolarHBondContact OG-OD2 3.04Å; D365-D368 PolarHBondContact O-N 3.11Å; D368-H370 WeakPolarHBondContact OD1-CB 3.49Å; D368-H370 IonicContact OD1-CD2 2.9Å; D368-H370 PolarHBondContact OD1-CD2 3.4Å; D368-H370 IonicContact OD1-CG 2.81Å; D368-H370 PolarHBondContact OD1-N 3.02Å
369M80.1Confident78.2Confident16 Ų1680.2 Ų80.28%0.07940%0.395CS..  trans-114.214.1-177.2-69.6-66.9-72.200112.2V321 H323 Q328 A330 Y371V321-M369 HydrophobicContact CB-CE 4.01Å; V321-M369 HydrophobicContact CG1-CE 3.87Å; V321-M369 WeakPolarHBondContact O-CE 2.97Å; H323-M369 HydrophobicContact CB-CE 4.23Å; H323-M369 HydrophobicContact CB-CG 4.45Å; H323-M369 HydrophobicContact CB-SD 3.82Å; Q328-M369 HydrophobicContact CB-CG 4.17Å; A330-M369 HydrophobicContact CB-CB 4.17Å; A330-M369 HydrophobicContact CB-CE 4.11Å; A330-M369 VanDerWaalsContact CB-O 3.27Å; A330-M369 WeakPolarHBondContact CB-O 3.37Å; M369-Y371 WeakPolarHBondContact O-CD2 3.17Å; M369-Y371 PolarHBondContact O-N 3.19Å
370H83.3Confident77.8Confident135 Ų13584.9 Ų84.963%0.62542%0.418SS*.  trans-84.8103177-68.6-62.2000112.5S361 S362 D368S361-H370 WeakPolarHBondContact CA-O 3.38Å; S362-H370 PolarHBondContact N-O 3.49Å; D368-H370 WeakPolarHBondContact OD1-CB 3.49Å; D368-H370 IonicContact OD1-CD2 2.9Å; D368-H370 PolarHBondContact OD1-CD2 3.4Å; D368-H370 IonicContact OD1-CG 2.81Å; D368-H370 PolarHBondContact OD1-N 3.02Å
371Y85.7Confident77.5Confident29 Ų2984.2 Ų84.211%0.11442%0.416CS..EExtended strand (participates in β ladder)trans-89.7127.8174.8-74.7-87.7000111.8R309 V321 A330 I332 L348 M369R309-Y371 PolarHBondContact NH1-OH 3Å; R309-Y371 VanDerWaalsContact NH1-OH 3.13Å; V321-Y371 HydrophobicContact CB-CE2 3.94Å; V321-Y371 HydrophobicContact CG1-CE2 3.86Å; V321-Y371 HydrophobicContact CG2-CD2 4.36Å; V321-Y371 HydrophobicContact CG2-CE2 3.9Å; A330-Y371 HydrophobicContact CB-CD2 4.4Å; I332-Y371 HydrophobicContact CD1-CD2 4.48Å; I332-Y371 HydrophobicContact CD1-CG 4.17Å; L348-Y371 HydrophobicContact CB-CD1 4.06Å; L348-Y371 HydrophobicContact CB-CE1 3.8Å; L348-Y371 HydrophobicContact CD2-CD1 4.3Å; L348-Y371 HydrophobicContact CD2-CE1 4.41Å; M369-Y371 WeakPolarHBondContact O-CD2 3.17Å; M369-Y371 PolarHBondContact O-N 3.19Å
372R87.2Confident77.4Confident172 Ų17291.2 Ų91.265%0.64945%0.448SS*.EExtended strand (participates in β ladder)trans-114.6147.4172.4-65.3-176.7-178.7173.51.5110.1Y359 E360 N374Y359-R372 CarbonylContact C-O 3.59Å; Y359-R372 WeakPolarHBondContact CA-O 3.36Å; E360-R372 PolarHBondContact N-O 3.05Å; E360-R372 PolarHBondContact O-N 3.31Å; R372-N374 PolarHBondContact O-N 3.43Å
373I86.4Confident78.2Confident78 Ų7890.6 Ų90.640%0.444%0.443SS..EExtended strand (participates in β ladder)trans-69.7120.5176.1-61.1169.8000108.5Y359 K376Y359-I373 HydrophobicContact CD1-CG1 3.77Å; Y359-I373 HydrophobicContact CE1-CB 4.45Å; Y359-I373 HydrophobicContact CE1-CD1 4.1Å; Y359-I373 HydrophobicContact CE1-CG1 3.26Å; Y359-I373 HydrophobicContact CE2-CG1 4.35Å; Y359-I373 HydrophobicContact CG-CG1 4.5Å; I373-K376 HydrophobicContact CG2-CD 4.47Å; I373-K376 HydrophobicContact CG2-CG 3.89Å
374N85Confident79.1Confident88 Ų8894.5 Ų94.547%0.47146%0.457SS..EExtended strand (participates in β ladder)trans-91.3-54.7172.6-176.6-4.4000110.2I358 E360 R372I358-N374 PolarHBondContact O-N 3.5Å; E360-N374 HydrophobicContact CB-CB 3.98Å; E360-N374 PolarHBondContact OE2-ND2 3.42Å; R372-N374 PolarHBondContact O-N 3.43Å
375T84.8Confident80.4Confident50 Ų5092.3 Ų92.331%0.30744%0.439SS..EExtended strand (participates in β ladder)trans-135147.9-173.5-53.70000112.4I358 L377I358-T375 HydrophobicContact CD1-CG2 4.47Å; I358-T375 PolarHBondContact N-O 3.02Å; I358-T375 PolarHBondContact O-N 2.93Å; T375-L377 HydrophobicContact CG2-CD2 4.43Å
376K88.2Confident81.6Confident131 Ų13188.3 Ų88.357%0.5742%0.418SS*.EExtended strand (participates in β ladder)trans-126.1119173.9-55.6-176.3-178.11700110L357 I373L357-K376 HydrophobicContact CD2-CB 4.13Å; L357-K376 HydrophobicContact CD2-CD 4.14Å; L357-K376 HydrophobicContact CD2-CG 3.72Å; I373-K376 HydrophobicContact CG2-CD 4.47Å; I373-K376 HydrophobicContact CG2-CG 3.89Å
377L84.9Confident83Confident19 Ų1986.5 Ų86.510%0.09941%0.409CS..EExtended strand (participates in β ladder)trans-100.8114.8172.4-59.7175.3000108.5K355 I356 T375 E379 L393K355-L377 CarbonylContact C-O 3.54Å; K355-L377 WeakPolarHBondContact CA-O 3.34Å; K355-L377 WeakPolarHBondContact CB-O 3.5Å; I356-L377 HydrophobicContact CB-CB 4.18Å; I356-L377 HydrophobicContact CB-CD1 4.35Å; I356-L377 PolarHBondContact N-O 3.45Å; I356-L377 PolarHBondContact O-N 3.43Å; T375-L377 HydrophobicContact CG2-CD2 4.43Å; L377-E379 VanDerWaalsContact C-N 3.3Å; L377-E379 PolarHBondContact O-N 3.14Å; L377-L393 HydrophobicContact CD1-CB 4.47Å; L377-L393 HydrophobicContact CD1-CD2 3.62Å
378L85.9Confident84Confident139 Ų13979.8 Ų79.873%0.72838%0.38SS*.  trans-94.652.3-176.9-59.8176.8000111.2E354 K355E354-L378 CarbonylContact O-C 3.55Å; K355-L378 HydrophobicContact CB-CD2 3.99Å; K355-L378 HydrophobicContact CD-CD2 4.24Å
379E81.3Confident84.7Confident104 Ų10479.2 Ų79.249%0.48638%0.377SS..SBendtrans-130.6142.1-179.6-65.3-173.4172.800111.8E354 L377 I381E354-E379 CarbonylContact O-C 3.46Å; E354-E379 PolarHBondContact O-N 3.39Å; L377-E379 VanDerWaalsContact C-N 3.3Å; L377-E379 PolarHBondContact O-N 3.14Å; E379-I381 HydrophobicContact CB-CG1 4.19Å; E379-I381 PolarHBondContact O-N 3.21Å; E379-I381 VanDerWaalsContact O-N 3.16Å
380Q82.7Confident84.4Confident120 Ų12079.9 Ų79.956%0.56138%0.382SS*.  trans-82.688.6173.3-175.9175.8-14.700110.2H382Q380-H382 PolarHBondContact NE2-NE2 3.05Å
381I81.9Confident83.5Confident67 Ų6778.3 Ų78.334%0.34438%0.378SS..  trans-91.8122.5177.2-57.3178.5000109.8Q351 I356 E379Q351-I381 PolarHBondContact NE2-O 3.46Å; I356-I381 HydrophobicContact CD1-CB 4.39Å; I356-I381 HydrophobicContact CD1-CD1 3.96Å; E379-I381 HydrophobicContact CB-CG1 4.19Å; E379-I381 PolarHBondContact O-N 3.21Å; E379-I381 VanDerWaalsContact O-N 3.16Å
382H81.7Confident82Confident150 Ų15079.1 Ų79.169%0.69438%0.383SS*.  trans-93.6112.4170.4-73.9-79.9000109.9Q380Q380-H382 PolarHBondContact NE2-NE2 3.05Å
383C83Confident80.1Confident49 Ų4973.2 Ų73.233%0.33136%0.364SS..  trans-129.7163.3176.662.30000110.4K340 Y385K340-C383 VanDerWaalsContact NZ-C 3.27Å; K340-C383 PolarHBondContact NZ-O 3.27Å; C383-Y385 PolarHBondContact SG-O 2.94Å
384Q84Confident78.2Confident117 Ų11773.7 Ų73.755%0.54737%0.366SS..SBendtrans-91.4-37.1168.9-174.9-179.8-12.100112.1K340K340-Q384 PolarHBondContact NZ-O 3.5Å
385Y84.5Confident76.5Confident100 Ų10071.2 Ų71.239%0.39236%0.361SS..  trans-125.1146.1174.1-62.1-70.7000110C383 V407 N408 I410C383-Y385 PolarHBondContact SG-O 2.94Å; Y385-V407 HydrophobicContact CE2-CG1 4.48Å; Y385-N408 PolarHBondContact OH-O 3.34Å; Y385-I410 HydrophobicContact CD2-CD1 3.72Å; Y385-I410 HydrophobicContact CD2-CG1 4.27Å; Y385-I410 HydrophobicContact CG-CD1 3.95Å
386L88.7Confident75.3Confident25 Ų2575.1 Ų75.113%0.13138%0.379CS..  trans-116.3121.8172.518072.7000108K340 S342 A349 Q351 I356K340-L386 HydrophobicContact CB-CB 4.01Å; K340-L386 HydrophobicContact CB-CD2 4.07Å; K340-L386 HydrophobicContact CD-CB 4.16Å; S342-L386 VanDerWaalsContact CB-O 3.27Å; S342-L386 WeakPolarHBondContact CB-O 3.49Å; S342-L386 PolarHBondContact OG-O 3.36Å; A349-L386 HydrophobicContact CB-CD2 4.14Å; Q351-L386 HydrophobicContact CB-CD2 3.84Å; I356-L386 HydrophobicContact CD1-CD1 4.35Å
387I87.1Confident74.4Confident54 Ų5475.8 Ų75.828%0.27738%0.381SS..  trans-128.1132.9-179.6-62.6176.3000108.6S342 I389 I410 I412 L422S342-I387 VanDerWaalsContact OG-CA 3.28Å; S342-I387 WeakPolarHBondContact OG-CA 3.15Å; I387-I389 HydrophobicContact CG2-CG2 4.42Å; I387-I410 HydrophobicContact CD1-CB 3.94Å; I387-I410 HydrophobicContact CD1-CD1 3.81Å; I387-I410 HydrophobicContact CD1-CG1 4.46Å; I387-I410 HydrophobicContact CD1-CG2 3.31Å; I387-I412 HydrophobicContact CG2-CD1 3.72Å; I387-I412 HydrophobicContact CG2-CG1 4.12Å; I387-L422 HydrophobicContact CG2-CD2 4.31Å
388I87Confident73.8Confident2 Ų280.5 Ų80.51%0.0140%0.403CS..  trans-111.4143.4169.5-171.8160.6000110S342 F344 L347 A349 I358 L393S342-I388 WeakPolarHBondContact O-CG2 3.32Å; S342-I388 PolarHBondContact OG-N 2.78Å; S342-I388 VanDerWaalsContact OG-N 3.12Å; F344-I388 HydrophobicContact CB-CG2 3.8Å; F344-I388 WeakPolarHBondContact CB-O 3.18Å; F344-I388 WeakPolarHBondContact CG-O 3.38Å; L347-I388 HydrophobicContact CB-CD1 3.69Å; L347-I388 HydrophobicContact CB-CG1 4.18Å; L347-I388 HydrophobicContact CD1-CD1 4.13Å; L347-I388 HydrophobicContact CD1-CG1 4.22Å; L347-I388 HydrophobicContact CG-CD1 4.46Å; A349-I388 HydrophobicContact CB-CB 4.05Å; A349-I388 HydrophobicContact CB-CD1 3.9Å; A349-I388 HydrophobicContact CB-CG2 4.29Å; I358-I388 HydrophobicContact CG1-CD1 4.48Å; I358-I388 HydrophobicContact CG2-CD1 3.66Å; I388-L393 HydrophobicContact CB-CD1 4.12Å; I388-L393 HydrophobicContact CD1-CD1 3.68Å; I388-L393 HydrophobicContact CG1-CD1 3.76Å
389I84.7Confident73.5Confident19 Ų1979.7 Ų79.710%0.09739%0.39CS..BIsolated β-bridgetrans-133166.9178.849.2170.1000108.7I387 N391 H392 E420 V436I387-I389 HydrophobicContact CG2-CG2 4.42Å; I389-N391 VanDerWaalsContact C-N 3.26Å; I389-N391 PolarHBondContact O-N 3.23Å; I389-H392 HydrophobicContact CD1-CB 4.05Å; I389-H392 HydrophobicContact CG1-CB 4.09Å; I389-E420 WeakPolarHBondContact CB-OE2 3.46Å; I389-E420 HydrophobicContact CG2-CB 4.4Å; I389-V436 HydrophobicContact CD1-CB 4.26Å; I389-V436 HydrophobicContact CD1-CG1 3.82Å; I389-V436 HydrophobicContact CD1-CG2 3.54Å
390T75.7Confident73.7Confident30 Ų3080.9 Ų80.918%0.18440%0.396CS..THydrogen-bonded Turntrans-47.4-40.4-167.529.60000116.2F344 K345 L347 P417 E420F344-T390 HydrophobicContact CE1-CG2 4.07Å; K345-T390 HydrophobicContact CD-CG2 3.63Å; L347-T390 WeakPolarHBondContact CD1-O 3.49Å; T390-P417 HydrophobicContact CG2-CB 4.31Å; T390-P417 WeakPolarHBondContact OG1-CA 3.3Å; T390-E420 WeakPolarHBondContact CG2-OE1 3.36Å; T390-E420 PolarHBondContact N-OE2 2.9Å; T390-E420 PolarHBondContact OG1-OE1 3.05Å; T390-E420 PolarHBondContact OG1-OE2 3.18Å
391N63.9Low73.9Confident102 Ų10278.6 Ų78.655%0.54538%0.382SS..THydrogen-bonded Turntrans-138.725.2-163.3-101.5-1.7000113.7I389 N418I389-N391 VanDerWaalsContact C-N 3.26Å; I389-N391 PolarHBondContact O-N 3.23Å; N391-N418 WeakPolarHBondContact CB-OD1 3.22Å; N391-N418 PolarHBondContact ND2-OD1 3.47Å
392H54.2Low74.2Confident46 Ų4682.2 Ų82.221%0.21340%0.401CS..BIsolated β-bridgetrans-145.2110-178.6-58.8-79000112.1I389 E398 N418I389-H392 HydrophobicContact CD1-CB 4.05Å; I389-H392 HydrophobicContact CG1-CB 4.09Å; H392-E398 IonicContact CE1-OE2 2.71Å; H392-E398 IonicContact CG-OE2 2.76Å; H392-E398 IonicContact ND1-OE2 2.87Å; H392-E398 PolarHBondContact ND1-OE2 3.26Å; H392-N418 PolarHBondContact NE2-OD1 2.99Å
393L47.6Very low74.5Confident48 Ų4876.9 Ų76.925%0.25138%0.378SS..  trans-156.186.9146.4-103.5146.3000107A349 I358 L377 I388A349-L393 HydrophobicContact CB-CD1 4.36Å; I358-L393 HydrophobicContact CD1-CB 3.2Å; I358-L393 HydrophobicContact CD1-CD1 3.44Å; I358-L393 VanDerWaalsContact CD1-CD1 3.44Å; I358-L393 HydrophobicContact CD1-CD2 4.3Å; I358-L393 HydrophobicContact CD1-CG 3.79Å; I358-L393 HydrophobicContact CG1-CD1 4.09Å; L377-L393 HydrophobicContact CD1-CB 4.47Å; L377-L393 HydrophobicContact CD1-CD2 3.62Å; I388-L393 HydrophobicContact CB-CD1 4.12Å; I388-L393 HydrophobicContact CD1-CD1 3.68Å; I388-L393 HydrophobicContact CG1-CD1 3.76Å
394I46.7Very low74.8Confident88 Ų8879.9 Ų79.945%0.45139%0.391SS..  trans-97.5130.4179.7-66164.1000106.9I396 E398I394-I396 HydrophobicContact CG2-CB 4.01Å; I394-I396 HydrophobicContact CG2-CG1 4.49Å; I394-I396 PolarHBondContact O-N 3.03Å; I394-E398 HydrophobicContact CB-CG 4.32Å; I394-E398 HydrophobicContact CD1-CG 3.91Å; I394-E398 WeakPolarHBondContact CD1-OE1 3.48Å
395G48.5Very low75.1Confident35 Ų3575.3 Ų75.336%0.36137%0.372SS..SBendtrans-65.217.717500000114.7
396I59Low75.5Confident132 Ų13274.2 Ų74.268%0.67738%0.378SS*.SBendtrans-133.9122.1174.9-56175.1000105.3I394 E398I394-I396 HydrophobicContact CG2-CB 4.01Å; I394-I396 HydrophobicContact CG2-CG1 4.49Å; I394-I396 PolarHBondContact O-N 3.03Å; I396-E398 PolarHBondContact O-N 2.99Å
397K69.5Low75.6Confident145 Ų14574.3 Ų74.363%0.6338%0.379SS*.  trans-54.3104.4178.6177.4-179.4171.51790110.3E400K397-E400 WeakPolarHBondContact CE-OE2 3.28Å; K397-E400 IonicContact NZ-OE1 2.68Å; K397-E400 PolarHBondContact NZ-OE1 2.83Å; K397-E400 VanDerWaalsContact NZ-OE1 3.15Å; K397-E400 IonicContact NZ-OE2 3.48Å; K397-E400 PolarHBondContact NZ-OE2 3.1Å
398E73.3Confident75.7Confident118 Ų11873.5 Ų73.555%0.55138%0.375SS*.  trans-75.8-44.5179.6-69.8-162.5124.600112.7H392 I394 I396H392-E398 IonicContact CE1-OE2 2.71Å; H392-E398 IonicContact CG-OE2 2.76Å; H392-E398 IonicContact ND1-OE2 2.87Å; H392-E398 PolarHBondContact ND1-OE2 3.26Å; I394-E398 HydrophobicContact CB-CG 4.32Å; I394-E398 HydrophobicContact CD1-CG 3.91Å; I394-E398 WeakPolarHBondContact CD1-OE1 3.48Å; I396-E398 PolarHBondContact O-N 2.99Å
399R78.5Confident75.8Confident122 Ų12274.5 Ų74.546%0.4638%0.382SS..  trans-147.6157.6-173.1-66.5-170.5178-152.91.6112.1W401 D437 N438R399-W401 HydrophobicContact CB-CH2 3.9Å; R399-W401 HydrophobicContact CB-CZ2 4.19Å; R399-W401 HydrophobicContact CB-CZ3 4.17Å; R399-D437 VanDerWaalsContact NH1-C 3.32Å; R399-D437 PolarHBondContact NH1-O 2.78Å; R399-N438 PolarHBondContact NH1-O 3.36Å
400E85.6Confident76.1Confident129 Ų12976.2 Ų76.260%0.60339%0.391SS*.  trans-139.9134.2174.6178.7169-133.100109.2K397 I402K397-E400 WeakPolarHBondContact CE-OE2 3.28Å; K397-E400 IonicContact NZ-OE1 2.68Å; K397-E400 PolarHBondContact NZ-OE1 2.83Å; K397-E400 VanDerWaalsContact NZ-OE1 3.15Å; K397-E400 IonicContact NZ-OE2 3.48Å; K397-E400 PolarHBondContact NZ-OE2 3.1Å; E400-I402 HydrophobicContact CG-CG1 4.43Å
401W87.5Confident76.7Confident73 Ų7378 Ų7828%0.27739%0.394SS..  trans-116.2128.9171.5-61.1-88.6000108.3R399 I434 N438 T439R399-W401 HydrophobicContact CB-CH2 3.9Å; R399-W401 HydrophobicContact CB-CZ2 4.19Å; R399-W401 HydrophobicContact CB-CZ3 4.17Å; W401-I434 HydrophobicContact CB-CD1 3.89Å; W401-I434 HydrophobicContact CD2-CD1 4.33Å; W401-I434 HydrophobicContact CD2-CG2 3.93Å; W401-I434 HydrophobicContact CE3-CG2 4.45Å; W401-I434 HydrophobicContact CG-CD1 3.97Å; W401-I434 HydrophobicContact CG-CG2 4.26Å; W401-I434 HydrophobicContact CZ2-CG2 4.02Å; W401-N438 PolarHBondContact NE1-O 3.47Å; W401-T439 PolarHBondContact NE1-O 3.41Å
402I87.8Confident77.8Confident143 Ų14375.5 Ų75.573%0.73338%0.38SS*.  trans-100.8129.6176.2-58.9173000107.4E400E400-I402 HydrophobicContact CG-CG1 4.43Å
403V88.2Confident79.3Confident37 Ų3774.8 Ų74.822%0.22438%0.378CS..  trans-117.9153.9177.4-69.90000110.3S405 V407 L424 L426V403-S405 WeakPolarHBondContact CG2-O 3.41Å; V403-S405 PolarHBondContact O-N 3.25Å; V403-S405 VanDerWaalsContact O-N 3.13Å; V403-V407 HydrophobicContact CG2-CG2 4.05Å; V403-L424 HydrophobicContact CG1-CD1 4.14Å; V403-L426 HydrophobicContact CB-CD1 3.99Å; V403-L426 HydrophobicContact CB-CD2 4.27Å; V403-L426 HydrophobicContact CG2-CD2 4.08Å
404D88.1Confident80.9Confident113 Ų11373.2 Ų73.260%0.60437%0.373SS*.SBendtrans-66.2-15.5-171.3-62.2-21.2000114.7Q430D404-Q430 PolarHBondContact OD2-NE2 2.55Å; D404-Q430 PolarHBondContact OD2-OE1 2.8Å
405S92.2Very high82.6Confident20 Ų2070.3 Ų70.314%0.1437%0.365CS..SBendtrans-155.2155-172.5-179.40000110.6V403 V407 N428V403-S405 WeakPolarHBondContact CG2-O 3.41Å; V403-S405 PolarHBondContact O-N 3.25Å; V403-S405 VanDerWaalsContact O-N 3.13Å; S405-V407 PolarHBondContact O-N 3.17Å; S405-N428 VanDerWaalsContact CB-CG 3.4Å; S405-N428 WeakPolarHBondContact CB-ND2 3.37Å; S405-N428 PolarHBondContact OG-N 2.77Å
406P90.9Very high84.3Confident78 Ų7872.5 Ų72.551%0.50637%0.373SS..  trans-54.7138.1176.9-25.534.2000112N408 K427P406-N408 PolarHBondContact O-N 2.82Å; P406-K427 HydrophobicContact CB-CD 4.3Å; P406-K427 PolarHBondContact O-N 3.46Å; P406-K427 VanDerWaalsContact O-N 3.12Å
407V91Very high85.3Confident26 Ų2669.9 Ų69.916%0.15836%0.364CS..EExtended strand (participates in β ladder)trans-70.8122177.8-177.70000109.1Y385 V403 S405 I410 L424 L426Y385-V407 HydrophobicContact CE2-CG1 4.48Å; V403-V407 HydrophobicContact CG2-CG2 4.05Å; S405-V407 PolarHBondContact O-N 3.17Å; V407-I410 HydrophobicContact CG1-CD1 3.77Å; V407-I410 HydrophobicContact CG1-CG1 3.37Å; V407-L424 HydrophobicContact CG1-CD2 4.11Å; V407-L424 HydrophobicContact CG2-CD1 4.35Å; V407-L426 HydrophobicContact CB-CD2 4.4Å; V407-L426 HydrophobicContact CG2-CD2 3.89Å
408N89.9Confident85.6Confident38 Ų3866.3 Ų66.320%0.20335%0.352CS..EExtended strand (participates in β ladder)trans-92.6-45178.4-161.343.9000111.3Y385 P406 G425 K427 V451Y385-N408 PolarHBondContact OH-O 3.34Å; P406-N408 PolarHBondContact O-N 2.82Å; N408-G425 PolarHBondContact N-O 2.71Å; N408-K427 HydrophobicContact CB-CG 3.98Å; N408-V451 WeakPolarHBondContact CB-O 3.28Å; N408-V451 PolarHBondContact ND2-O 2.71Å
409C89.7Confident86.2Confident23 Ų2366 Ų6616%0.15535%0.349CS..EExtended strand (participates in β ladder)trans-136.2149.9176.667.30000112G425 Y452C409-G425 PolarHBondContact N-O 3.06Å; C409-G425 PolarHBondContact O-N 3.31Å; C409-Y452 WeakPolarHBondContact CB-O 3.48Å
410I90.1Very high86.6Confident54 Ų5460.2 Ų60.228%0.27733%0.327SS..EExtended strand (participates in β ladder)trans-131.4134.5176.7-51.2-179.7000109.9Y385 I387 V407 L423 L424Y385-I410 HydrophobicContact CD2-CD1 3.72Å; Y385-I410 HydrophobicContact CD2-CG1 4.27Å; Y385-I410 HydrophobicContact CG-CD1 3.95Å; I387-I410 HydrophobicContact CD1-CB 3.94Å; I387-I410 HydrophobicContact CD1-CD1 3.81Å; I387-I410 HydrophobicContact CD1-CG1 4.46Å; I387-I410 HydrophobicContact CD1-CG2 3.31Å; V407-I410 HydrophobicContact CG1-CD1 3.77Å; V407-I410 HydrophobicContact CG1-CG1 3.37Å; I410-L423 CarbonylContact C-O 3.53Å; I410-L423 WeakPolarHBondContact CA-O 3.27Å; I410-L424 HydrophobicContact CB-CD2 4.17Å; I410-L424 HydrophobicContact CD1-CD2 4.03Å; I410-L424 HydrophobicContact CG1-CD2 3.66Å; I410-L424 HydrophobicContact CG2-CD2 3.74Å
411R88.1Confident86.7Confident68 Ų6854.1 Ų54.126%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-127.3132.4174.5-176.369.2167.7-176.5-2.9110.3L423 D455 L529R411-L423 HydrophobicContact CB-CB 4.16Å; R411-L423 PolarHBondContact N-O 2.96Å; R411-L423 PolarHBondContact O-N 2.98Å; R411-D455 IonicContact CZ-OD1 3.71Å; R411-D455 IonicContact NE-OD1 3.85Å; R411-D455 PolarHBondContact NE-OD1 3.02Å; R411-D455 IonicContact NH2-OD1 2.81Å; R411-D455 IonicContact NH2-OD2 3.8Å; R411-D455 PolarHBondContact NH2-OD2 3.05Å; R411-L529 PolarHBondContact NH1-O 3.4Å; R411-L529 PolarHBondContact NH2-O 3.38Å; R411-L529 VanDerWaalsContact NH2-O 3.14Å
412I87Confident86.9Confident50 Ų5051.8 Ų51.826%0.25629%0.292SS..EExtended strand (participates in β ladder)trans-86.3117174.8-52171.1000108.1F344 I387 G414 L422F344-I412 HydrophobicContact CD2-CD1 3.97Å; F344-I412 HydrophobicContact CD2-CG2 4.15Å; F344-I412 HydrophobicContact CE2-CD1 4.47Å; F344-I412 HydrophobicContact CE2-CG2 3.56Å; F344-I412 HydrophobicContact CZ-CG2 4.29Å; I387-I412 HydrophobicContact CG2-CD1 3.72Å; I387-I412 HydrophobicContact CG2-CG1 4.12Å; I412-G414 VanDerWaalsContact C-N 3.32Å; I412-L422 HydrophobicContact CB-CD2 4.33Å; I412-L422 HydrophobicContact CG1-CD2 3.85Å; I412-L422 HydrophobicContact CG2-CD2 4.29Å
413I85.2Confident87.1Confident30 Ų3045 Ų4515%0.15426%0.257CS..EExtended strand (participates in β ladder)trans-86.2-12179.8-43.4173.1000110.9G421 L423 Q433 I456 R460I413-G421 PolarHBondContact N-O 3.44Å; I413-L423 HydrophobicContact CD1-CB 3.79Å; I413-L423 HydrophobicContact CD1-CD1 4Å; I413-L423 HydrophobicContact CD1-CD2 4.39Å; I413-L423 HydrophobicContact CD1-CG 4.29Å; I413-L423 HydrophobicContact CG1-CB 3.91Å; I413-Q433 HydrophobicContact CD1-CG 4.13Å; I413-I456 HydrophobicContact CB-CG2 4.43Å; I413-I456 HydrophobicContact CD1-CG2 4.34Å; I413-I456 HydrophobicContact CG1-CG2 4.2Å; I413-I456 HydrophobicContact CG2-CG2 3.47Å; I413-I456 VanDerWaalsContact CG2-CG2 3.47Å; I413-R460 PolarHBondContact O-NH2 2.85Å
414G82.3Confident87.3Confident15 Ų1543.9 Ų43.916%0.15525%0.25CC..EExtended strand (participates in β ladder)trans71.4-173.5-174.100000112.6I412 G421 R460I412-G414 VanDerWaalsContact C-N 3.32Å; G414-G421 PolarHBondContact O-N 3.27Å; G414-R460 PolarHBondContact O-NH2 2.94Å
415G83.1Confident87.6Confident28 Ų2838.5 Ų38.529%0.28922%0.221SC..  trans159.1178.8-176.300000110.6
416P82.7Confident87.7Confident81 Ų8137.5 Ų37.553%0.52621%0.214SC..SBendtrans-62.1153167.116.3-12000109.8N418 K419 E420P416-N418 PolarHBondContact O-N 3.38Å; P416-K419 HydrophobicContact CG-CB 3.99Å; P416-K419 HydrophobicContact CG-CD 4.46Å; P416-K419 CarbonylContact O-C 3.58Å; P416-K419 WeakPolarHBondContact O-CA 3.44Å; P416-K419 PolarHBondContact O-N 3.47Å; P416-E420 WeakPolarHBondContact O-CG 3.47Å
417P79.8Confident87.8Confident76 Ų7638 Ų3849%0.49421%0.208SC..THydrogen-bonded Turntrans-53.7140.717923.6-33.2000111T390 K419T390-P417 HydrophobicContact CG2-CB 4.31Å; T390-P417 WeakPolarHBondContact OG1-CA 3.3Å; P417-K419 PolarHBondContact O-N 3.05Å
418N77.1Confident87.9Confident70 Ų7039.1 Ų39.137%0.37421%0.213SC..THydrogen-bonded Turntrans68.3-5.5-172-53.13000116.1N391 H392 P416N391-N418 WeakPolarHBondContact CB-OD1 3.22Å; N391-N418 PolarHBondContact ND2-OD1 3.47Å; H392-N418 PolarHBondContact NE2-OD1 2.99Å; P416-N418 PolarHBondContact O-N 3.38Å
419K85.3Confident88Confident111 Ų11137.3 Ų37.348%0.48320%0.204SC..  trans-125.232.2178-53-164.9170.8-167.90111.9P416 P417 I435 D437P416-K419 HydrophobicContact CG-CB 3.99Å; P416-K419 HydrophobicContact CG-CD 4.46Å; P416-K419 CarbonylContact O-C 3.58Å; P416-K419 WeakPolarHBondContact O-CA 3.44Å; P416-K419 PolarHBondContact O-N 3.47Å; P417-K419 PolarHBondContact O-N 3.05Å; K419-I435 HydrophobicContact CB-CG2 4.47Å; K419-D437 WeakPolarHBondContact CD-OD2 3.22Å; K419-D437 WeakPolarHBondContact CE-OD2 3.26Å; K419-D437 HydrophobicContact CG-CB 4.26Å; K419-D437 VanDerWaalsContact CG-OD2 3.25Å; K419-D437 WeakPolarHBondContact CG-OD2 3.4Å; K419-D437 IonicContact NZ-OD2 3.48Å
420E87Confident88.2Confident1 Ų137.3 Ų37.31%0.00520%0.201CC..  trans-74.7137.5-177.5-64.1-179.7141.800109.4F344 K345 I389 T390 P416 V436F344-E420 VanDerWaalsContact CE1-CD 3.44Å; F344-E420 WeakPolarHBondContact CE1-OE1 3.25Å; F344-E420 VanDerWaalsContact CE1-OE2 3.29Å; F344-E420 WeakPolarHBondContact CE1-OE2 3.31Å; F344-E420 WeakPolarHBondContact CZ-OE1 3.2Å; K345-E420 IonicContact NZ-OE1 2.73Å; K345-E420 PolarHBondContact NZ-OE1 3.43Å; I389-E420 WeakPolarHBondContact CB-OE2 3.46Å; I389-E420 HydrophobicContact CG2-CB 4.4Å; T390-E420 WeakPolarHBondContact CG2-OE1 3.36Å; T390-E420 PolarHBondContact N-OE2 2.9Å; T390-E420 PolarHBondContact OG1-OE1 3.05Å; T390-E420 PolarHBondContact OG1-OE2 3.18Å; P416-E420 WeakPolarHBondContact O-CG 3.47Å; E420-V436 VanDerWaalsContact O-CG2 3.24Å; E420-V436 WeakPolarHBondContact O-CG2 3.31Å; E420-V436 PolarHBondContact O-N 3.15Å
421G88.1Confident88.3Confident1 Ų134.8 Ų34.81%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-95.3139.5-178.800000112.2I413 G414 I434I413-G421 PolarHBondContact N-O 3.44Å; G414-G421 PolarHBondContact O-N 3.27Å; G421-I434 CarbonylContact C-O 3.5Å; G421-I434 WeakPolarHBondContact CA-O 3.33Å
422L90.6Very high88.6Confident25 Ų2531.6 Ų31.613%0.13118%0.177CC..EExtended strand (participates in β ladder)trans-116.6136.6171.8-58.8174.6000109I387 I412 Q433 I434I387-L422 HydrophobicContact CG2-CD2 4.31Å; I412-L422 HydrophobicContact CB-CD2 4.33Å; I412-L422 HydrophobicContact CG1-CD2 3.85Å; I412-L422 HydrophobicContact CG2-CD2 4.29Å; L422-Q433 CarbonylContact O-C 3.57Å; L422-Q433 WeakPolarHBondContact O-CA 3.41Å; L422-I434 HydrophobicContact CB-CB 4.38Å; L422-I434 PolarHBondContact N-O 3.46Å; L422-I434 PolarHBondContact O-N 2.92Å
423L92Very high88.8Confident1 Ų130.3 Ų30.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-108.3125.2173.9-157.359.6000108.3I410 R411 I413 V431 Q433 L444 V454 I456 L463I410-L423 CarbonylContact C-O 3.53Å; I410-L423 WeakPolarHBondContact CA-O 3.27Å; R411-L423 HydrophobicContact CB-CB 4.16Å; R411-L423 PolarHBondContact N-O 2.96Å; R411-L423 PolarHBondContact O-N 2.98Å; I413-L423 HydrophobicContact CD1-CB 3.79Å; I413-L423 HydrophobicContact CD1-CD1 4Å; I413-L423 HydrophobicContact CD1-CD2 4.39Å; I413-L423 HydrophobicContact CD1-CG 4.29Å; I413-L423 HydrophobicContact CG1-CB 3.91Å; L423-V431 HydrophobicContact CD1-CG1 3.86Å; L423-V431 HydrophobicContact CG-CG1 4.13Å; L423-Q433 HydrophobicContact CD1-CB 4.24Å; L423-L444 HydrophobicContact CD1-CD1 3.54Å; L423-V454 HydrophobicContact CD2-CB 4.05Å; L423-V454 HydrophobicContact CD2-CG1 3.28Å; L423-V454 HydrophobicContact CG-CB 4.46Å; L423-V454 HydrophobicContact CG-CG1 3.88Å; L423-I456 HydrophobicContact CD2-CB 4.29Å; L423-L463 HydrophobicContact CD2-CD1 3.9Å
424L93.5Very high89.1Confident12 Ų1229.3 Ų29.36%0.06316%0.164CC..EExtended strand (participates in β ladder)trans-113.2128.6-178.9-54.1-177.1000109.4V403 V407 I410 L426 V431 V432 I434V403-L424 HydrophobicContact CG1-CD1 4.14Å; V407-L424 HydrophobicContact CG1-CD2 4.11Å; V407-L424 HydrophobicContact CG2-CD1 4.35Å; I410-L424 HydrophobicContact CB-CD2 4.17Å; I410-L424 HydrophobicContact CD1-CD2 4.03Å; I410-L424 HydrophobicContact CG1-CD2 3.66Å; I410-L424 HydrophobicContact CG2-CD2 3.74Å; L424-L426 HydrophobicContact CB-CD2 4.29Å; L424-V431 WeakPolarHBondContact O-CA 3.23Å; L424-V432 HydrophobicContact CB-CB 4.34Å; L424-V432 PolarHBondContact N-O 3.1Å; L424-V432 PolarHBondContact O-N 2.79Å; L424-I434 HydrophobicContact CD1-CD1 3.43Å; L424-I434 VanDerWaalsContact CD1-CD1 3.43Å; L424-I434 HydrophobicContact CD1-CG1 4.03Å; L424-I434 HydrophobicContact CG-CD1 4.34Å
425G93.8Very high89.4Confident0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-101.5123.5164.300000109.5N408 C409N408-G425 PolarHBondContact N-O 2.71Å; C409-G425 PolarHBondContact N-O 3.06Å; C409-G425 PolarHBondContact O-N 3.31Å
426L94.8Very high89.5Confident0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-99.1154.9-177.5-55.6-170.2000111.5V403 V407 L424 N428 G429 Q430 V432 V451V403-L426 HydrophobicContact CB-CD1 3.99Å; V403-L426 HydrophobicContact CB-CD2 4.27Å; V403-L426 HydrophobicContact CG2-CD2 4.08Å; V407-L426 HydrophobicContact CB-CD2 4.4Å; V407-L426 HydrophobicContact CG2-CD2 3.89Å; L424-L426 HydrophobicContact CB-CD2 4.29Å; L426-N428 VanDerWaalsContact CB-OD1 3.23Å; L426-N428 WeakPolarHBondContact CB-OD1 3.09Å; L426-N428 PolarHBondContact O-N 2.78Å; L426-G429 PolarHBondContact O-N 2.98Å; L426-G429 VanDerWaalsContact O-N 3.1Å; L426-Q430 HydrophobicContact CB-CB 4.37Å; L426-Q430 HydrophobicContact CD1-CB 4.06Å; L426-Q430 HydrophobicContact CG-CB 4.37Å; L426-Q430 PolarHBondContact N-O 3.26Å; L426-V432 HydrophobicContact CD1-CG2 4.14Å; L426-V451 PolarHBondContact O-N 2.94Å
427K92.6Very high89.5Confident87 Ų8728.3 Ų28.338%0.37815%0.145SC..THydrogen-bonded Turntrans-62.5-27.8176.7-70.3-168176.6-167.40113.3P406 N408 G429 E450P406-K427 HydrophobicContact CB-CD 4.3Å; P406-K427 PolarHBondContact O-N 3.46Å; P406-K427 VanDerWaalsContact O-N 3.12Å; N408-K427 HydrophobicContact CB-CG 3.98Å; K427-G429 PolarHBondContact O-N 3.34Å; K427-E450 VanDerWaalsContact O-CA 3.3Å; K427-E450 WeakPolarHBondContact O-CA 3.28Å; K427-E450 WeakPolarHBondContact O-CB 3.16Å; K427-E450 WeakPolarHBondContact O-CG 3.47Å
428N92.6Very high89.8Confident50 Ų5027.8 Ų27.827%0.26714%0.138SC..THydrogen-bonded Turntrans-78.26.617671.1-3000114.8S405 L426 Q430S405-N428 VanDerWaalsContact CB-CG 3.4Å; S405-N428 WeakPolarHBondContact CB-ND2 3.37Å; S405-N428 PolarHBondContact OG-N 2.77Å; L426-N428 VanDerWaalsContact CB-OD1 3.23Å; L426-N428 WeakPolarHBondContact CB-OD1 3.09Å; L426-N428 PolarHBondContact O-N 2.78Å; N428-Q430 PolarHBondContact ND2-OE1 3.04Å; N428-Q430 WeakPolarHBondContact OD1-CB 3.44Å; N428-Q430 PolarHBondContact OD1-N 2.96Å; N428-Q430 VanDerWaalsContact OD1-N 3.08Å; N428-Q430 PolarHBondContact OD1-OE1 3Å
429G91.7Very high90Very high0 Ų028.7 Ų28.70%015%0.146CC..SBendtrans88.3-1.1179.100000115.7L426 K427 K446 I447 N449L426-G429 PolarHBondContact O-N 2.98Å; L426-G429 VanDerWaalsContact O-N 3.1Å; K427-G429 PolarHBondContact O-N 3.34Å; G429-K446 WeakPolarHBondContact O-CA 3.11Å; G429-I447 WeakPolarHBondContact O-CG1 3.33Å; G429-I447 PolarHBondContact O-N 3.09Å; G429-N449 WeakPolarHBondContact CA-O 3.44Å
430Q93.9Very high90.1Very high23 Ų2331 Ų3111%0.10716%0.157CC..EExtended strand (participates in β ladder)trans-78.8141.9176.6-71170.2-31.800111.9D404 L426 N428 V432 K446D404-Q430 PolarHBondContact OD2-NE2 2.55Å; D404-Q430 PolarHBondContact OD2-OE1 2.8Å; L426-Q430 HydrophobicContact CB-CB 4.37Å; L426-Q430 HydrophobicContact CD1-CB 4.06Å; L426-Q430 HydrophobicContact CG-CB 4.37Å; L426-Q430 PolarHBondContact N-O 3.26Å; N428-Q430 PolarHBondContact ND2-OE1 3.04Å; N428-Q430 WeakPolarHBondContact OD1-CB 3.44Å; N428-Q430 PolarHBondContact OD1-N 2.96Å; N428-Q430 VanDerWaalsContact OD1-N 3.08Å; N428-Q430 PolarHBondContact OD1-OE1 3Å; Q430-V432 HydrophobicContact CB-CG2 4.4Å; Q430-K446 HydrophobicContact CG-CB 4.27Å; Q430-K446 HydrophobicContact CG-CD 3.93Å; Q430-K446 HydrophobicContact CG-CG 3.92Å
431V93.7Very high90.1Very high1 Ų132.6 Ų32.61%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-109.1122.9166-177.50000109.3L423 L424 L444 T445 V451 V454 L463 I465L423-V431 HydrophobicContact CD1-CG1 3.86Å; L423-V431 HydrophobicContact CG-CG1 4.13Å; L424-V431 WeakPolarHBondContact O-CA 3.23Å; V431-L444 HydrophobicContact CG1-CD1 4.34Å; V431-L444 PolarHBondContact O-N 2.97Å; V431-T445 PolarHBondContact N-O 3.27Å; V431-V451 HydrophobicContact CG2-CG1 4.32Å; V431-V451 HydrophobicContact CG2-CG2 3.98Å; V431-V454 HydrophobicContact CG1-CG1 4.01Å; V431-V454 HydrophobicContact CG1-CG2 4.44Å; V431-V454 HydrophobicContact CG2-CG2 4.04Å; V431-L463 HydrophobicContact CB-CD2 4.46Å; V431-L463 HydrophobicContact CG1-CD1 4.48Å; V431-L463 HydrophobicContact CG1-CD2 4.12Å; V431-I465 HydrophobicContact CG2-CD1 3.68Å; V431-I465 HydrophobicContact CG2-CG1 4.11Å; V431-I465 HydrophobicContact CG2-CG2 4.44Å
432V93.1Very high90.3Very high1 Ų135.8 Ų35.81%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-125.1133.7-173.1176.20000109.6L424 L426 Q430 I434 P441 I442L424-V432 HydrophobicContact CB-CB 4.34Å; L424-V432 PolarHBondContact N-O 3.1Å; L424-V432 PolarHBondContact O-N 2.79Å; L426-V432 HydrophobicContact CD1-CG2 4.14Å; Q430-V432 HydrophobicContact CB-CG2 4.4Å; V432-I434 HydrophobicContact CG1-CG1 4.41Å; V432-P441 HydrophobicContact CG1-CB 3.36Å; V432-I442 CarbonylContact C-O 3.57Å; V432-I442 WeakPolarHBondContact CA-O 3.43Å
433Q92.6Very high90.2Very high23 Ų2339.8 Ų39.811%0.10720%0.201CC..EExtended strand (participates in β ladder)trans-102.9127.6172.5-176.4179.86.600110I413 L422 L423 I442 L444I413-Q433 HydrophobicContact CD1-CG 4.13Å; L422-Q433 CarbonylContact O-C 3.57Å; L422-Q433 WeakPolarHBondContact O-CA 3.41Å; L423-Q433 HydrophobicContact CD1-CB 4.24Å; Q433-I442 HydrophobicContact CB-CB 4.36Å; Q433-I442 PolarHBondContact N-O 2.83Å; Q433-I442 WeakPolarHBondContact O-CB 3.31Å; Q433-I442 PolarHBondContact O-N 3.28Å; Q433-L444 HydrophobicContact CB-CD1 4.04Å; Q433-L444 HydrophobicContact CB-CD2 4.43Å; Q433-L444 HydrophobicContact CB-CG 4.13Å
434I90.6Very high90.2Very high9 Ų941 Ų415%0.04621%0.207CC..EExtended strand (participates in β ladder)trans-109.3130.1171-61.4-176.6000107.5W401 G421 L422 L424 V432 P441W401-I434 HydrophobicContact CB-CD1 3.89Å; W401-I434 HydrophobicContact CD2-CD1 4.33Å; W401-I434 HydrophobicContact CD2-CG2 3.93Å; W401-I434 HydrophobicContact CE3-CG2 4.45Å; W401-I434 HydrophobicContact CG-CD1 3.97Å; W401-I434 HydrophobicContact CG-CG2 4.26Å; W401-I434 HydrophobicContact CZ2-CG2 4.02Å; G421-I434 CarbonylContact C-O 3.5Å; G421-I434 WeakPolarHBondContact CA-O 3.33Å; L422-I434 HydrophobicContact CB-CB 4.38Å; L422-I434 PolarHBondContact N-O 3.46Å; L422-I434 PolarHBondContact O-N 2.92Å; L424-I434 HydrophobicContact CD1-CD1 3.43Å; L424-I434 VanDerWaalsContact CD1-CD1 3.43Å; L424-I434 HydrophobicContact CD1-CG1 4.03Å; L424-I434 HydrophobicContact CG-CD1 4.34Å; V432-I434 HydrophobicContact CG1-CG1 4.41Å; I434-P441 HydrophobicContact CG1-CB 4.16Å
435I88.3Confident90Very high36 Ų3641.9 Ų41.919%0.18521%0.213CC..EExtended strand (participates in β ladder)trans-106.6129.6166.6-49.7179.2000105.8K419 D437 N438 I442K419-I435 HydrophobicContact CB-CG2 4.47Å; I435-D437 WeakPolarHBondContact CG2-OD1 3.42Å; I435-D437 PolarHBondContact O-N 3.34Å; I435-D437 VanDerWaalsContact O-N 3.16Å; I435-N438 HydrophobicContact CB-CB 4.24Å; I435-N438 WeakPolarHBondContact O-CA 3.49Å; I435-N438 WeakPolarHBondContact O-CB 3.33Å; I435-N438 PolarHBondContact O-N 2.87Å; I435-I442 HydrophobicContact CD1-CD1 4.16Å; I435-I442 HydrophobicContact CG1-CD1 4.47Å
436V84.8Confident89.8Confident15 Ų1548.5 Ų48.59%0.09124%0.242CC..THydrogen-bonded Turntrans-59.5-31.4-168.8172.90000112.9I389 E420 N438I389-V436 HydrophobicContact CD1-CB 4.26Å; I389-V436 HydrophobicContact CD1-CG1 3.82Å; I389-V436 HydrophobicContact CD1-CG2 3.54Å; E420-V436 VanDerWaalsContact O-CG2 3.24Å; E420-V436 WeakPolarHBondContact O-CG2 3.31Å; E420-V436 PolarHBondContact O-N 3.15Å; V436-N438 VanDerWaalsContact C-N 3.32Å
437D83.5Confident89.6Confident53 Ų5349.4 Ų49.428%0.28325%0.246SC..THydrogen-bonded Turntrans-75.7-19.2175.867-12.6000113.6R399 K419 I435R399-D437 VanDerWaalsContact NH1-C 3.32Å; R399-D437 PolarHBondContact NH1-O 2.78Å; K419-D437 WeakPolarHBondContact CD-OD2 3.22Å; K419-D437 WeakPolarHBondContact CE-OD2 3.26Å; K419-D437 HydrophobicContact CG-CB 4.26Å; K419-D437 VanDerWaalsContact CG-OD2 3.25Å; K419-D437 WeakPolarHBondContact CG-OD2 3.4Å; K419-D437 IonicContact NZ-OD2 3.48Å; I435-D437 WeakPolarHBondContact CG2-OD1 3.42Å; I435-D437 PolarHBondContact O-N 3.34Å; I435-D437 VanDerWaalsContact O-N 3.16Å
438N85.5Confident89.4Confident65 Ų6554 Ų5435%0.34827%0.272SS..  trans-88.1142.6-177.5-75.5-14.7000112.5R399 W401 I435 V436R399-N438 PolarHBondContact NH1-O 3.36Å; W401-N438 PolarHBondContact NE1-O 3.47Å; I435-N438 HydrophobicContact CB-CB 4.24Å; I435-N438 WeakPolarHBondContact O-CA 3.49Å; I435-N438 WeakPolarHBondContact O-CB 3.33Å; I435-N438 PolarHBondContact O-N 2.87Å; V436-N438 VanDerWaalsContact C-N 3.32Å
439T82.4Confident89.4Confident89 Ų8954.2 Ų54.255%0.54627%0.273SS..SBendtrans-79.3-29.1179.549.90000112.9W401W401-T439 PolarHBondContact NE1-O 3.41Å
440F86.4Confident89.4Confident160 Ų16058.2 Ų58.270%0.70229%0.291SS*.SBendtrans-113.3138.6-174.1-57.5-72.7000112
441P88.3Confident89.3Confident33 Ų3357.1 Ų57.121%0.21429%0.286CS..PPolyproline II helixtrans-66138.8169.224.6-28.8000111.3V432 I434V432-P441 HydrophobicContact CG1-CB 3.36Å; I434-P441 HydrophobicContact CG1-CB 4.16Å
442I90.5Very high89.1Confident69 Ų6962.5 Ų62.535%0.35431%0.307SS..EExtended strand (participates in β ladder)trans-96.5117.1177.6-56.7170.4000108.4V432 Q433 I435 L444V432-I442 CarbonylContact C-O 3.57Å; V432-I442 WeakPolarHBondContact CA-O 3.43Å; Q433-I442 HydrophobicContact CB-CB 4.36Å; Q433-I442 PolarHBondContact N-O 2.83Å; Q433-I442 WeakPolarHBondContact O-CB 3.31Å; Q433-I442 PolarHBondContact O-N 3.28Å; I435-I442 HydrophobicContact CD1-CD1 4.16Å; I435-I442 HydrophobicContact CG1-CD1 4.47Å; I442-L444 HydrophobicContact CG2-CD2 4.37Å
443H90.2Very high89Confident109 Ų10963.8 Ų63.851%0.50532%0.316SS..EExtended strand (participates in β ladder)trans-77.5125.5174.6-67.7-88.7000110.5
444L90.2Very high89Confident26 Ų2663 Ų6314%0.13631%0.313CS..EExtended strand (participates in β ladder)trans-97-53.2179.4-64.7-178.6000112.2L423 V431 Q433 I442 L463 L477L423-L444 HydrophobicContact CD1-CD1 3.54Å; V431-L444 HydrophobicContact CG1-CD1 4.34Å; V431-L444 PolarHBondContact O-N 2.97Å; Q433-L444 HydrophobicContact CB-CD1 4.04Å; Q433-L444 HydrophobicContact CB-CD2 4.43Å; Q433-L444 HydrophobicContact CB-CG 4.13Å; I442-L444 HydrophobicContact CG2-CD2 4.37Å; L444-L463 HydrophobicContact CB-CD2 4.32Å; L444-L463 HydrophobicContact CD1-CD2 4.34Å; L444-L477 HydrophobicContact CB-CD2 4.4Å; L444-L477 HydrophobicContact CD2-CD2 4.41Å
445T90.6Very high89.1Confident31 Ų3163.1 Ų63.119%0.1931%0.314CS..EExtended strand (participates in β ladder)trans-158.4158.9-174.6-560000110V431 I465 Y475V431-T445 PolarHBondContact N-O 3.27Å; T445-I465 HydrophobicContact CG2-CD1 4.5Å; T445-Y475 HydrophobicContact CG2-CD2 4.38Å; T445-Y475 HydrophobicContact CG2-CE1 4.42Å; T445-Y475 HydrophobicContact CG2-CE2 4.16Å
446K90.1Very high89.3Confident139 Ų13962 Ų6260%0.60431%0.308SS*.EExtended strand (participates in β ladder)trans-129.6126.1173-176.1175.5-179.2177.20110.4G429 Q430G429-K446 WeakPolarHBondContact O-CA 3.11Å; Q430-K446 HydrophobicContact CG-CB 4.27Å; Q430-K446 HydrophobicContact CG-CD 3.93Å; Q430-K446 HydrophobicContact CG-CG 3.92Å
447I90.2Very high89.7Confident18 Ų1861.4 Ų61.49%0.09230%0.304CS..  trans-101.7168.5171.459.1157.1000110.6G429 N449 V451 I465 D467 Y475G429-I447 WeakPolarHBondContact O-CG1 3.33Å; G429-I447 PolarHBondContact O-N 3.09Å; I447-N449 VanDerWaalsContact CD1-O 3.26Å; I447-N449 WeakPolarHBondContact CD1-O 3.44Å; I447-N449 WeakPolarHBondContact CG1-O 3.47Å; I447-V451 HydrophobicContact CD1-CG2 3.98Å; I447-V451 HydrophobicContact CG1-CG2 3.99Å; I447-I465 HydrophobicContact CD1-CG2 3.84Å; I447-I465 HydrophobicContact CG1-CG2 4.48Å; I447-I465 HydrophobicContact CG2-CD1 4.19Å; I447-I465 HydrophobicContact CG2-CG2 4.46Å; I447-D467 HydrophobicContact CD1-CB 3.78Å; I447-Y475 HydrophobicContact CG2-CE2 4.35Å
448M88.7Confident89.9Confident185 Ų18566 Ų6691%0.91132%0.317SS*.SBendtrans-76-35.4-178.2-66.7-168.4-67.700113.6
449N91.3Very high90.1Very high54 Ų5468 Ų6829%0.28933%0.328SS..SBendtrans-100.9168.1-174.4-65.5-30.2000111.1G429 I447 V451 D467 N469G429-N449 WeakPolarHBondContact CA-O 3.44Å; I447-N449 VanDerWaalsContact CD1-O 3.26Å; I447-N449 WeakPolarHBondContact CD1-O 3.44Å; I447-N449 WeakPolarHBondContact CG1-O 3.47Å; N449-V451 PolarHBondContact O-N 3.17Å; N449-D467 HydrophobicContact CB-CB 3.85Å; N449-D467 PolarHBondContact ND2-OD2 3.43Å; N449-N469 PolarHBondContact ND2-ND2 2.8Å
450E92.3Very high90.4Very high84 Ų8468.6 Ų68.639%0.39332%0.321SS..  trans-61.7138.2177.3-41.6-160143.500110.9K427 Y452 D467 S468K427-E450 VanDerWaalsContact O-CA 3.3Å; K427-E450 WeakPolarHBondContact O-CA 3.28Å; K427-E450 WeakPolarHBondContact O-CB 3.16Å; K427-E450 WeakPolarHBondContact O-CG 3.47Å; E450-Y452 PolarHBondContact O-N 2.92Å; E450-D467 CarbonylContact O-C 3.52Å; E450-D467 WeakPolarHBondContact O-CA 3.36Å; E450-S468 PolarHBondContact O-N 2.92Å
451V92.4Very high90.6Very high0 Ų062.8 Ų62.80%030%0.297CS..EExtended strand (participates in β ladder)trans-77.5115.1177.6-177.10000109.4N408 L426 V431 I447 N449 V454 I465N408-V451 WeakPolarHBondContact CB-O 3.28Å; N408-V451 PolarHBondContact ND2-O 2.71Å; L426-V451 PolarHBondContact O-N 2.94Å; V431-V451 HydrophobicContact CG2-CG1 4.32Å; V431-V451 HydrophobicContact CG2-CG2 3.98Å; I447-V451 HydrophobicContact CD1-CG2 3.98Å; I447-V451 HydrophobicContact CG1-CG2 3.99Å; N449-V451 PolarHBondContact O-N 3.17Å; V451-V454 HydrophobicContact CG1-CG2 3.15Å; V451-I465 HydrophobicContact CG1-CG2 4.03Å; V451-I465 HydrophobicContact CG2-CG2 4.49Å
452Y89.5Confident90.9Very high114 Ų11462.2 Ų62.245%0.44729%0.291SS..EExtended strand (participates in β ladder)trans-88.2-44.4179-175.7-100.8000112.6C409 E450 V466 S490C409-Y452 WeakPolarHBondContact CB-O 3.48Å; E450-Y452 PolarHBondContact O-N 2.92Å; Y452-V466 WeakPolarHBondContact CB-O 3.45Å; Y452-V466 HydrophobicContact CD1-CG1 4.45Å; Y452-V466 PolarHBondContact N-O 3.12Å; Y452-S490 VanDerWaalsContact CE1-O 3.32Å; Y452-S490 WeakPolarHBondContact CE1-O 3.03Å
453S90.8Very high91Very high27 Ų2759 Ų5919%0.18927%0.274CS..EExtended strand (participates in β ladder)trans-146.9146.6179.1-1760000110.6V466 I492S453-V466 PolarHBondContact N-O 3.22Å; S453-V466 PolarHBondContact O-N 2.72Å; S453-I492 WeakPolarHBondContact OG-CG1 3.26Å
454V93.2Very high91.2Very high8 Ų853.8 Ų53.85%0.04825%0.25CS..EExtended strand (participates in β ladder)trans-139.9140.5177.1-169.70000109.9L423 V431 V451 L463 A464 I465L423-V454 HydrophobicContact CD2-CB 4.05Å; L423-V454 HydrophobicContact CD2-CG1 3.28Å; L423-V454 HydrophobicContact CG-CB 4.46Å; L423-V454 HydrophobicContact CG-CG1 3.88Å; V431-V454 HydrophobicContact CG1-CG1 4.01Å; V431-V454 HydrophobicContact CG1-CG2 4.44Å; V431-V454 HydrophobicContact CG2-CG2 4.04Å; V451-V454 HydrophobicContact CG1-CG2 3.15Å; V454-L463 HydrophobicContact CG1-CD1 3.54Å; V454-L463 HydrophobicContact CG1-CG 4.34Å; V454-A464 WeakPolarHBondContact CA-O 3.5Å; V454-A464 WeakPolarHBondContact CG1-O 3.3Å; V454-I465 HydrophobicContact CG1-CG1 4.41Å; V454-I465 HydrophobicContact CG2-CG2 4.48Å
455D92.7Very high91.4Very high11 Ų1152.7 Ų52.76%0.05924%0.244CC..EExtended strand (participates in β ladder)trans-144.7159166.2-154.921.6000110.9R411 A464 I492 S493 W494R411-D455 IonicContact CZ-OD1 3.71Å; R411-D455 IonicContact NE-OD1 3.85Å; R411-D455 PolarHBondContact NE-OD1 3.02Å; R411-D455 IonicContact NH2-OD1 2.81Å; R411-D455 IonicContact NH2-OD2 3.8Å; R411-D455 PolarHBondContact NH2-OD2 3.05Å; D455-A464 PolarHBondContact N-O 3.36Å; D455-A464 PolarHBondContact O-N 2.82Å; D455-I492 HydrophobicContact CB-CD1 4.09Å; D455-I492 HydrophobicContact CB-CG1 4.4Å; D455-S493 VanDerWaalsContact OD2-CA 3.28Å; D455-S493 WeakPolarHBondContact OD2-CA 3.37Å; D455-W494 PolarHBondContact OD2-N 2.92Å
456I92.6Very high91.6Very high13 Ų1351.2 Ų51.27%0.06724%0.235CC..EExtended strand (participates in β ladder)trans-125.2146.3-175.6-162.9177.1000110.7I413 L423 R460 K462 L463 L477 W494I413-I456 HydrophobicContact CB-CG2 4.43Å; I413-I456 HydrophobicContact CD1-CG2 4.34Å; I413-I456 HydrophobicContact CG1-CG2 4.2Å; I413-I456 HydrophobicContact CG2-CG2 3.47Å; I413-I456 VanDerWaalsContact CG2-CG2 3.47Å; L423-I456 HydrophobicContact CD2-CB 4.29Å; I456-R460 HydrophobicContact CD1-CB 3.83Å; I456-R460 HydrophobicContact CD1-CG 4.16Å; I456-R460 HydrophobicContact CG1-CB 4.45Å; I456-K462 VanDerWaalsContact CG1-O 3.3Å; I456-K462 WeakPolarHBondContact CG1-O 3.25Å; I456-L463 HydrophobicContact CB-CD1 4.35Å; I456-L463 HydrophobicContact CG1-CD1 4.42Å; I456-L477 HydrophobicContact CD1-CD1 3.82Å; I456-L477 HydrophobicContact CG1-CD1 4.29Å; I456-W494 WeakPolarHBondContact O-CB 3.43Å
457S92.8Very high91.7Very high2 Ų245.2 Ų45.21%0.01421%0.21CC..  trans-64.5162.4-179.765.30000112.9N459 R460 D461 K462 N499S457-N459 VanDerWaalsContact C-N 3.3Å; S457-N459 PolarHBondContact O-N 2.9Å; S457-R460 PolarHBondContact O-N 3.26Å; S457-R460 PolarHBondContact OG-N 3.01Å; S457-D461 PolarHBondContact OG-N 2.8Å; S457-D461 PolarHBondContact OG-OD1 2.85Å; S457-K462 PolarHBondContact N-O 3.35Å; S457-K462 PolarHBondContact OG-N 3.45Å; S457-K462 PolarHBondContact OG-O 3.16Å; S457-N499 WeakPolarHBondContact CB-OD1 3.38Å; S457-N499 PolarHBondContact OG-OD1 3.44Å
458R87.8Confident91.7Very high148 Ų14847 Ų4756%0.55822%0.224SC*.THydrogen-bonded Turntrans-52.1-45.8179.1179.6-176.7170.9159.72.7112.6R460 T496 T497 N499R458-R460 VanDerWaalsContact C-N 3.27Å; R458-R460 PolarHBondContact O-N 3.09Å; R458-T496 WeakPolarHBondContact CD-O 3.2Å; R458-T497 PolarHBondContact NH1-O 2.83Å; R458-N499 PolarHBondContact N-OD1 2.89Å
459N89.2Confident91.9Very high108 Ų10843.2 Ų43.258%0.57821%0.208SC*.THydrogen-bonded Turntrans-85.2-0.5-178.5-66-12.2000113S457 D461 N499S457-N459 VanDerWaalsContact C-N 3.3Å; S457-N459 PolarHBondContact O-N 2.9Å; N459-D461 PolarHBondContact O-N 3.33Å; N459-N499 WeakPolarHBondContact CB-OD1 3.28Å; N459-N499 PolarHBondContact N-OD1 3.29Å
460R88.9Confident91.9Very high102 Ų10246.1 Ų46.139%0.38522%0.218SC..SBendtrans60.331.3-177.9-53178.8177.2-171.5-6.3113.8I413 G414 I456 S457 R458 L477I413-R460 PolarHBondContact O-NH2 2.85Å; G414-R460 PolarHBondContact O-NH2 2.94Å; I456-R460 HydrophobicContact CD1-CB 3.83Å; I456-R460 HydrophobicContact CD1-CG 4.16Å; I456-R460 HydrophobicContact CG1-CB 4.45Å; S457-R460 PolarHBondContact O-N 3.26Å; S457-R460 PolarHBondContact OG-N 3.01Å; R458-R460 VanDerWaalsContact C-N 3.27Å; R458-R460 PolarHBondContact O-N 3.09Å; R460-L477 VanDerWaalsContact O-CD1 3.28Å; R460-L477 WeakPolarHBondContact O-CD1 3.41Å
461D91.2Very high91.9Very high37 Ų3743.4 Ų43.420%0.19821%0.207CC..  trans-103-17.7179.264.3-34.3000113S457 N459 L477 N499S457-D461 PolarHBondContact OG-N 2.8Å; S457-D461 PolarHBondContact OG-OD1 2.85Å; N459-D461 PolarHBondContact O-N 3.33Å; D461-L477 PolarHBondContact O-N 3.38Å; D461-N499 PolarHBondContact OD1-ND2 3.48Å; D461-N499 PolarHBondContact OD1-OD1 3.13Å; D461-N499 PolarHBondContact OD2-ND2 2.91Å
462K93.1Very high92Very high22 Ų2243.4 Ų43.410%0.09621%0.207CC..EExtended strand (participates in β ladder)trans-129.8139.3179.6-54.9170.9-166161.70111.3I456 S457 V474 Y475 L483 W494 E500I456-K462 VanDerWaalsContact CG1-O 3.3Å; I456-K462 WeakPolarHBondContact CG1-O 3.25Å; S457-K462 PolarHBondContact N-O 3.35Å; S457-K462 PolarHBondContact OG-N 3.45Å; S457-K462 PolarHBondContact OG-O 3.16Å; K462-V474 HydrophobicContact CB-CG1 4.37Å; K462-Y475 CarbonylContact C-O 3.55Å; K462-Y475 WeakPolarHBondContact CA-O 3.43Å; K462-L483 HydrophobicContact CD-CD1 3.85Å; K462-L483 HydrophobicContact CG-CD1 4.03Å; K462-W494 HydrophobicContact CB-CH2 4.23Å; K462-W494 HydrophobicContact CB-CZ2 3.98Å; K462-W494 HydrophobicContact CD-CH2 3.97Å; K462-E500 IonicContact NZ-OE1 2.96Å; K462-E500 PolarHBondContact NZ-OE1 2.9Å; K462-E500 IonicContact NZ-OE2 3.64Å; K462-E500 PolarHBondContact NZ-OE2 3.48Å
463L94.1Very high92.2Very high0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans-121.2123-177.7-178.569000109.6L423 V431 L444 V454 I456 I465 V474 Y475 L477L423-L463 HydrophobicContact CD2-CD1 3.9Å; V431-L463 HydrophobicContact CB-CD2 4.46Å; V431-L463 HydrophobicContact CG1-CD1 4.48Å; V431-L463 HydrophobicContact CG1-CD2 4.12Å; L444-L463 HydrophobicContact CB-CD2 4.32Å; L444-L463 HydrophobicContact CD1-CD2 4.34Å; V454-L463 HydrophobicContact CG1-CD1 3.54Å; V454-L463 HydrophobicContact CG1-CG 4.34Å; I456-L463 HydrophobicContact CB-CD1 4.35Å; I456-L463 HydrophobicContact CG1-CD1 4.42Å; L463-I465 HydrophobicContact CD2-CD1 3.83Å; L463-I465 HydrophobicContact CD2-CG1 4.09Å; L463-I465 HydrophobicContact CG-CD1 4.26Å; L463-I465 HydrophobicContact CG-CG1 3.98Å; L463-V474 CarbonylContact O-C 3.52Å; L463-V474 WeakPolarHBondContact O-CA 3.34Å; L463-Y475 PolarHBondContact N-O 2.81Å; L463-Y475 PolarHBondContact O-N 3.13Å; L463-L477 HydrophobicContact CB-CD1 4.36Å; L463-L477 HydrophobicContact CB-CD2 4.04Å; L463-L477 HydrophobicContact CB-CG 4.13Å; L463-L477 HydrophobicContact CD2-CD2 4.22Å
464A94.3Very high92.3Very high0 Ų038.1 Ų38.10%018%0.184CC..EExtended strand (participates in β ladder)trans-102.5130.2173.400000109.8V454 D455 V474 I492 W494 L502V454-A464 WeakPolarHBondContact CA-O 3.5Å; V454-A464 WeakPolarHBondContact CG1-O 3.3Å; D455-A464 PolarHBondContact N-O 3.36Å; D455-A464 PolarHBondContact O-N 2.82Å; A464-V474 HydrophobicContact CB-CG2 3.99Å; A464-I492 HydrophobicContact CB-CD1 3.77Å; A464-I492 VanDerWaalsContact O-CD1 3.25Å; A464-I492 WeakPolarHBondContact O-CD1 3.21Å; A464-W494 HydrophobicContact CB-CZ2 4.39Å; A464-W494 VanDerWaalsContact CB-NE1 3.31Å; A464-L502 HydrophobicContact CB-CD1 4.36Å
465I94.6Very high92.3Very high3 Ų339.7 Ų39.72%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-127.8132-177.5-54.1173.9000108.4V431 T445 I447 V451 V454 L463 M472 I473 Y475V431-I465 HydrophobicContact CG2-CD1 3.68Å; V431-I465 HydrophobicContact CG2-CG1 4.11Å; V431-I465 HydrophobicContact CG2-CG2 4.44Å; T445-I465 HydrophobicContact CG2-CD1 4.5Å; I447-I465 HydrophobicContact CD1-CG2 3.84Å; I447-I465 HydrophobicContact CG1-CG2 4.48Å; I447-I465 HydrophobicContact CG2-CD1 4.19Å; I447-I465 HydrophobicContact CG2-CG2 4.46Å; V451-I465 HydrophobicContact CG1-CG2 4.03Å; V451-I465 HydrophobicContact CG2-CG2 4.49Å; V454-I465 HydrophobicContact CG1-CG1 4.41Å; V454-I465 HydrophobicContact CG2-CG2 4.48Å; L463-I465 HydrophobicContact CD2-CD1 3.83Å; L463-I465 HydrophobicContact CD2-CG1 4.09Å; L463-I465 HydrophobicContact CG-CD1 4.26Å; L463-I465 HydrophobicContact CG-CG1 3.98Å; I465-M472 CarbonylContact O-C 3.58Å; I465-M472 VanDerWaalsContact O-CA 3.27Å; I465-M472 WeakPolarHBondContact O-CA 3.45Å; I465-I473 PolarHBondContact N-O 3.29Å; I465-I473 PolarHBondContact O-N 3.33Å; I465-Y475 HydrophobicContact CD1-CD2 3.91Å; I465-Y475 HydrophobicContact CD1-CE2 3.92Å
466V94.1Very high92.2Very high0 Ų040 Ų400%019%0.192CC..EExtended strand (participates in β ladder)trans-109.7128.9169-175.90000108.7Y452 S453 T471 M472 V489 I492Y452-V466 WeakPolarHBondContact CB-O 3.45Å; Y452-V466 HydrophobicContact CD1-CG1 4.45Å; Y452-V466 PolarHBondContact N-O 3.12Å; S453-V466 PolarHBondContact N-O 3.22Å; S453-V466 PolarHBondContact O-N 2.72Å; V466-T471 WeakPolarHBondContact CA-O 3.42Å; V466-M472 HydrophobicContact CG2-CB 4.07Å; V466-M472 HydrophobicContact CG2-CG 4.17Å; V466-V489 WeakPolarHBondContact CG1-O 3.46Å; V466-V489 HydrophobicContact CG2-CG1 3.93Å; V466-I492 HydrophobicContact CG2-CB 4.34Å; V466-I492 HydrophobicContact CG2-CD1 3.99Å; V466-I492 HydrophobicContact CG2-CG1 3.93Å; V466-I492 HydrophobicContact CG2-CG2 3.47Å; V466-I492 VanDerWaalsContact CG2-CG2 3.47Å
467D92.7Very high92Very high14 Ų1441.2 Ų41.28%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-90.1172.3176.678.7-5.6000113.4I447 N449 E450 N469 K470 T471I447-D467 HydrophobicContact CD1-CB 3.78Å; N449-D467 HydrophobicContact CB-CB 3.85Å; N449-D467 PolarHBondContact ND2-OD2 3.43Å; E450-D467 CarbonylContact O-C 3.52Å; E450-D467 WeakPolarHBondContact O-CA 3.36Å; D467-N469 PolarHBondContact O-N 2.98Å; D467-N469 VanDerWaalsContact O-N 3.16Å; D467-N469 VanDerWaalsContact OD1-C 3.31Å; D467-N469 WeakPolarHBondContact OD1-CA 3.38Å; D467-N469 WeakPolarHBondContact OD1-CB 3.12Å; D467-N469 PolarHBondContact OD1-N 2.91Å; D467-K470 PolarHBondContact O-N 3.3Å; D467-K470 PolarHBondContact OD1-N 3.4Å; D467-T471 PolarHBondContact N-O 3.38Å; D467-T471 WeakPolarHBondContact OD1-CA 3.24Å; D467-T471 WeakPolarHBondContact OD1-CB 3.4Å; D467-T471 PolarHBondContact OD1-N 3.03Å
468S90.5Very high91.7Very high56 Ų5648.9 Ų48.939%0.39223%0.234SC..THydrogen-bonded Turntrans-61-19.7176.8560000114.2E450 K470E450-S468 PolarHBondContact O-N 2.92Å; S468-K470 PolarHBondContact O-N 3.37Å
469N91.8Very high91.5Very high105 Ų10548.7 Ų48.756%0.56124%0.238SC*.THydrogen-bonded Turntrans-87.612174.9-67-22.4000112.7N449 D467 T471N449-N469 PolarHBondContact ND2-ND2 2.8Å; D467-N469 PolarHBondContact O-N 2.98Å; D467-N469 VanDerWaalsContact O-N 3.16Å; D467-N469 VanDerWaalsContact OD1-C 3.31Å; D467-N469 WeakPolarHBondContact OD1-CA 3.38Å; D467-N469 WeakPolarHBondContact OD1-CB 3.12Å; D467-N469 PolarHBondContact OD1-N 2.91Å; N469-T471 VanDerWaalsContact C-N 3.27Å; N469-T471 PolarHBondContact O-N 2.56Å
470K91.3Very high91.3Very high114 Ų11450.4 Ų50.450%0.49624%0.242SC..SBendtrans61.233.8-179.5-57.1-177.9-179.61790113D467 S468 P487 N488 V489D467-K470 PolarHBondContact O-N 3.3Å; D467-K470 PolarHBondContact OD1-N 3.4Å; S468-K470 PolarHBondContact O-N 3.37Å; K470-P487 CarbonylContact O-C 3.55Å; K470-N488 CarbonylContact O-C 3.6Å; K470-N488 WeakPolarHBondContact O-CA 3.5Å; K470-N488 PolarHBondContact O-N 3.42Å; K470-V489 WeakPolarHBondContact CA-O 3.47Å; K470-V489 VanDerWaalsContact CB-O 3.27Å; K470-V489 WeakPolarHBondContact CB-O 3.49Å; K470-V489 PolarHBondContact O-N 2.93Å
471T93.3Very high91.3Very high27 Ų2750.9 Ų50.917%0.16625%0.249CC..  trans-105.2125.7175.4-58.20000109.4V466 D467 N469 I473 Q485V466-T471 WeakPolarHBondContact CA-O 3.42Å; D467-T471 PolarHBondContact N-O 3.38Å; D467-T471 WeakPolarHBondContact OD1-CA 3.24Å; D467-T471 WeakPolarHBondContact OD1-CB 3.4Å; D467-T471 PolarHBondContact OD1-N 3.03Å; N469-T471 VanDerWaalsContact C-N 3.27Å; N469-T471 PolarHBondContact O-N 2.56Å; T471-I473 HydrophobicContact CG2-CG1 4.44Å; T471-Q485 HydrophobicContact CG2-CG 3.76Å
472M93.8Very high91.1Very high0 Ų052.9 Ų52.90%027%0.266CS..EExtended strand (participates in β ladder)trans-97.1131.3176.6-178.3-102.8-74.400110.7I465 V466 V474 F484 Q485 E486 V489 I492 L502 Y504I465-M472 CarbonylContact O-C 3.58Å; I465-M472 VanDerWaalsContact O-CA 3.27Å; I465-M472 WeakPolarHBondContact O-CA 3.45Å; V466-M472 HydrophobicContact CG2-CB 4.07Å; V466-M472 HydrophobicContact CG2-CG 4.17Å; M472-V474 HydrophobicContact SD-CG2 3.58Å; M472-V474 VanDerWaalsContact SD-CG2 3.58Å; M472-F484 HydrophobicContact CE-CE2 4Å; M472-F484 HydrophobicContact SD-CE2 3.85Å; M472-Q485 CarbonylContact O-C 3.59Å; M472-Q485 VanDerWaalsContact O-CA 3.23Å; M472-Q485 WeakPolarHBondContact O-CA 3.28Å; M472-Q485 WeakPolarHBondContact O-CG 3.44Å; M472-E486 HydrophobicContact CE-CB 3.85Å; M472-E486 HydrophobicContact CE-CG 3.79Å; M472-E486 PolarHBondContact N-O 3.45Å; M472-E486 PolarHBondContact O-N 3.31Å; M472-V489 HydrophobicContact CB-CB 3.87Å; M472-V489 HydrophobicContact CB-CG1 4.06Å; M472-V489 HydrophobicContact CB-CG2 3.65Å; M472-V489 HydrophobicContact CE-CG2 4.49Å; M472-I492 HydrophobicContact CG-CG2 3.88Å; M472-L502 HydrophobicContact CE-CD2 3.84Å; M472-L502 HydrophobicContact SD-CD2 4.06Å; M472-Y504 HydrophobicContact CE-CD1 3.58Å; M472-Y504 HydrophobicContact CE-CD2 4.1Å; M472-Y504 HydrophobicContact CE-CE1 3.89Å; M472-Y504 HydrophobicContact CE-CE2 4.35Å; M472-Y504 HydrophobicContact CE-CG 3.7Å
473I93.8Very high90.9Very high31 Ų3156.1 Ų56.116%0.15928%0.283CS..EExtended strand (participates in β ladder)trans-127131.2176.1-55.4170.4000108.2I465 T471 Y475 Q485I465-I473 PolarHBondContact N-O 3.29Å; I465-I473 PolarHBondContact O-N 3.33Å; T471-I473 HydrophobicContact CG2-CG1 4.44Å; I473-Y475 HydrophobicContact CB-CE2 4.07Å; I473-Y475 HydrophobicContact CG2-CD2 4.02Å; I473-Y475 HydrophobicContact CG2-CE1 4.4Å; I473-Y475 HydrophobicContact CG2-CE2 3.46Å; I473-Y475 VanDerWaalsContact CG2-CE2 3.46Å; I473-Q485 HydrophobicContact CG1-CG 4.12Å
474V93.2Very high90.8Very high0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-105.9125.5173.2-1790000110.5K462 L463 A464 M472 S482 L483 F484 W494 L502K462-V474 HydrophobicContact CB-CG1 4.37Å; L463-V474 CarbonylContact O-C 3.52Å; L463-V474 WeakPolarHBondContact O-CA 3.34Å; A464-V474 HydrophobicContact CB-CG2 3.99Å; M472-V474 HydrophobicContact SD-CG2 3.58Å; M472-V474 VanDerWaalsContact SD-CG2 3.58Å; V474-S482 CarbonylContact O-C 3.59Å; V474-S482 WeakPolarHBondContact O-CA 3.38Å; V474-L483 HydrophobicContact CG1-CB 4.41Å; V474-L483 HydrophobicContact CG1-CD1 4.06Å; V474-L483 PolarHBondContact O-N 2.96Å; V474-F484 HydrophobicContact CB-CD1 4.3Å; V474-F484 HydrophobicContact CB-CE1 3.93Å; V474-F484 HydrophobicContact CB-CE2 4.38Å; V474-F484 HydrophobicContact CB-CZ 3.96Å; V474-F484 HydrophobicContact CG1-CE1 4.24Å; V474-F484 HydrophobicContact CG2-CD2 4.35Å; V474-F484 HydrophobicContact CG2-CE1 3.85Å; V474-F484 HydrophobicContact CG2-CE2 3.65Å; V474-F484 HydrophobicContact CG2-CZ 3.35Å; V474-F484 PolarHBondContact N-O 2.87Å; V474-W494 HydrophobicContact CG1-CH2 4.21Å; V474-W494 HydrophobicContact CG1-CZ2 3.7Å; V474-W494 HydrophobicContact CG2-CZ2 4.34Å; V474-L502 HydrophobicContact CG2-CD2 3.87Å
475Y91.7Very high90.7Very high40 Ų4064.2 Ų64.216%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-105.4145.7176.2-70.3-83.8000111.6T445 I447 K462 L463 I465 I473 E481T445-Y475 HydrophobicContact CG2-CD2 4.38Å; T445-Y475 HydrophobicContact CG2-CE1 4.42Å; T445-Y475 HydrophobicContact CG2-CE2 4.16Å; I447-Y475 HydrophobicContact CG2-CE2 4.35Å; K462-Y475 CarbonylContact C-O 3.55Å; K462-Y475 WeakPolarHBondContact CA-O 3.43Å; L463-Y475 PolarHBondContact N-O 2.81Å; L463-Y475 PolarHBondContact O-N 3.13Å; I465-Y475 HydrophobicContact CD1-CD2 3.91Å; I465-Y475 HydrophobicContact CD1-CE2 3.92Å; I473-Y475 HydrophobicContact CB-CE2 4.07Å; I473-Y475 HydrophobicContact CG2-CD2 4.02Å; I473-Y475 HydrophobicContact CG2-CE1 4.4Å; I473-Y475 HydrophobicContact CG2-CE2 3.46Å; I473-Y475 VanDerWaalsContact CG2-CE2 3.46Å; Y475-E481 CarbonylContact C-O 3.51Å; Y475-E481 WeakPolarHBondContact CA-O 3.35Å
476S91.8Very high90.5Very high17 Ų1766 Ų6612%0.11933%0.329CS..EExtended strand (participates in β ladder)trans-84.3125.3158174.10000108.8Q480 E481S476-Q480 WeakPolarHBondContact O-CA 3.46Å; S476-Q480 PolarHBondContact O-N 3.46Å; S476-E481 PolarHBondContact N-O 3.35Å
477L87.1Confident90.4Very high39 Ų3970.1 Ų70.120%0.20436%0.356CS..THydrogen-bonded Turntrans-73.6-29.4179.5-71.8170.6000112.4L444 I456 R460 D461 L463L444-L477 HydrophobicContact CB-CD2 4.4Å; L444-L477 HydrophobicContact CD2-CD2 4.41Å; I456-L477 HydrophobicContact CD1-CD1 3.82Å; I456-L477 HydrophobicContact CG1-CD1 4.29Å; R460-L477 VanDerWaalsContact O-CD1 3.28Å; R460-L477 WeakPolarHBondContact O-CD1 3.41Å; D461-L477 PolarHBondContact O-N 3.38Å; L463-L477 HydrophobicContact CB-CD1 4.36Å; L463-L477 HydrophobicContact CB-CD2 4.04Å; L463-L477 HydrophobicContact CB-CG 4.13Å; L463-L477 HydrophobicContact CD2-CD2 4.22Å
478E86.6Confident90.3Very high164 Ų16473.9 Ų73.977%0.76638%0.376SS*.THydrogen-bonded Turntrans-68.3-45.3176.6-67-174168.800111.9
479K85.4Confident90.4Very high143 Ų14371.2 Ų71.262%0.62236%0.357SS*.THydrogen-bonded Turntrans-95.8-14.9-176.2-62.8-173.6179.5-177.30114E481K479-E481 HydrophobicContact CB-CB 4.19Å; K479-E481 HydrophobicContact CB-CG 3.96Å; K479-E481 WeakPolarHBondContact CD-OE2 3.07Å; K479-E481 PolarHBondContact O-N 2.71Å
480Q84.1Confident90.3Very high144 Ų14467.6 Ų67.667%0.67334%0.34SS*.  trans54.129-168.3-60.8-170-1900113.8S476S476-Q480 WeakPolarHBondContact O-CA 3.46Å; S476-Q480 PolarHBondContact O-N 3.46Å
481E88.4Confident90.3Very high112 Ų11262.5 Ų62.552%0.52332%0.319SS..  trans-101.8146.1179.7-70.8175.1168.500111.1Y475 S476 K479Y475-E481 CarbonylContact C-O 3.51Å; Y475-E481 WeakPolarHBondContact CA-O 3.35Å; S476-E481 PolarHBondContact N-O 3.35Å; K479-E481 HydrophobicContact CB-CB 4.19Å; K479-E481 HydrophobicContact CB-CG 3.96Å; K479-E481 WeakPolarHBondContact CD-OE2 3.07Å; K479-E481 PolarHBondContact O-N 2.71Å
482S87.9Confident90.3Very high80 Ų8061.4 Ų61.456%0.55931%0.312SS*.EExtended strand (participates in β ladder)trans-79.4121.3173.259.50000110.9V474V474-S482 CarbonylContact O-C 3.59Å; V474-S482 WeakPolarHBondContact O-CA 3.38Å
483L89.1Confident90.3Very high89 Ų8961.4 Ų61.447%0.46631%0.312SS..EExtended strand (participates in β ladder)trans-77.1-48.8179.4-64179.9000112.2K462 V474K462-L483 HydrophobicContact CD-CD1 3.85Å; K462-L483 HydrophobicContact CG-CD1 4.03Å; V474-L483 HydrophobicContact CG1-CB 4.41Å; V474-L483 HydrophobicContact CG1-CD1 4.06Å; V474-L483 PolarHBondContact O-N 2.96Å
484F91.4Very high90.2Very high46 Ų4660.4 Ų60.420%0.20231%0.306CS..EExtended strand (participates in β ladder)trans-161.6167.6175.863.1-91.3000111.2M472 V474 E486 L502 K513M472-F484 HydrophobicContact CE-CE2 4Å; M472-F484 HydrophobicContact SD-CE2 3.85Å; V474-F484 HydrophobicContact CB-CD1 4.3Å; V474-F484 HydrophobicContact CB-CE1 3.93Å; V474-F484 HydrophobicContact CB-CE2 4.38Å; V474-F484 HydrophobicContact CB-CZ 3.96Å; V474-F484 HydrophobicContact CG1-CE1 4.24Å; V474-F484 HydrophobicContact CG2-CD2 4.35Å; V474-F484 HydrophobicContact CG2-CE1 3.85Å; V474-F484 HydrophobicContact CG2-CE2 3.65Å; V474-F484 HydrophobicContact CG2-CZ 3.35Å; V474-F484 PolarHBondContact N-O 2.87Å; F484-E486 HydrophobicContact CD2-CG 4.15Å; F484-E486 HydrophobicContact CE2-CG 4.3Å; F484-L502 HydrophobicContact CE2-CD2 4.21Å; F484-L502 HydrophobicContact CZ-CD2 3.79Å; F484-K513 HydrophobicContact CD2-CD 3.95Å; F484-K513 HydrophobicContact CE1-CD 4.04Å; F484-K513 HydrophobicContact CE2-CD 3.41Å; F484-K513 VanDerWaalsContact CE2-CD 3.41Å; F484-K513 HydrophobicContact CG-CD 4.47Å; F484-K513 HydrophobicContact CZ-CD 3.47Å; F484-K513 VanDerWaalsContact CZ-CD 3.47Å
485Q91.7Very high90.1Very high125 Ų12560.4 Ų60.458%0.58431%0.306SS*.EExtended strand (participates in β ladder)trans-136.2141.7-179.2179-179.5-8.100110.6T471 M472 I473T471-Q485 HydrophobicContact CG2-CG 3.76Å; M472-Q485 CarbonylContact O-C 3.59Å; M472-Q485 VanDerWaalsContact O-CA 3.23Å; M472-Q485 WeakPolarHBondContact O-CA 3.28Å; M472-Q485 WeakPolarHBondContact O-CG 3.44Å; I473-Q485 HydrophobicContact CG1-CG 4.12Å
486E90.9Very high89.9Confident41 Ų4161.7 Ų61.719%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-134.5131.9178.2-63.2-73.5165.100110.5M472 F484 V489 Y504 K513M472-E486 HydrophobicContact CE-CB 3.85Å; M472-E486 HydrophobicContact CE-CG 3.79Å; M472-E486 PolarHBondContact N-O 3.45Å; M472-E486 PolarHBondContact O-N 3.31Å; F484-E486 HydrophobicContact CD2-CG 4.15Å; F484-E486 HydrophobicContact CE2-CG 4.3Å; E486-V489 HydrophobicContact CB-CG2 4.1Å; E486-Y504 HydrophobicContact CB-CE2 4.19Å; E486-Y504 VanDerWaalsContact CD-OH 3.31Å; E486-Y504 HydrophobicContact CG-CE1 4.46Å; E486-Y504 HydrophobicContact CG-CE2 4.23Å; E486-Y504 PolarHBondContact OE2-OH 3.34Å; E486-K513 IonicContact OE1-NZ 3.92Å; E486-K513 PolarHBondContact OE1-NZ 3.05Å
487P92.3Very high89.6Confident85 Ų8562.6 Ų62.655%0.55232%0.323SS*.SBendtrans-86.4167.4176.934.5-34.7000113.2K470 V489K470-P487 CarbonylContact O-C 3.55Å; P487-V489 VanDerWaalsContact C-N 3.32Å; P487-V489 PolarHBondContact O-N 3.12Å
488N90.8Very high89.5Confident93 Ų9362.3 Ų62.350%0.49732%0.322SS..SBendtrans60.630.2175.7-60.7-41.8000115.7K470 G506K470-N488 CarbonylContact O-C 3.6Å; K470-N488 WeakPolarHBondContact O-CA 3.5Å; K470-N488 PolarHBondContact O-N 3.42Å; N488-G506 WeakPolarHBondContact O-CA 3.45Å
489V92.2Very high89.6Confident1 Ų155.3 Ų55.31%0.00629%0.29CS..  trans-88.6127-179.6-177.20000110.9V466 K470 M472 E486 P487 S491 I492 Y504 T505V466-V489 WeakPolarHBondContact CG1-O 3.46Å; V466-V489 HydrophobicContact CG2-CG1 3.93Å; K470-V489 WeakPolarHBondContact CA-O 3.47Å; K470-V489 VanDerWaalsContact CB-O 3.27Å; K470-V489 WeakPolarHBondContact CB-O 3.49Å; K470-V489 PolarHBondContact O-N 2.93Å; M472-V489 HydrophobicContact CB-CB 3.87Å; M472-V489 HydrophobicContact CB-CG1 4.06Å; M472-V489 HydrophobicContact CB-CG2 3.65Å; M472-V489 HydrophobicContact CE-CG2 4.49Å; E486-V489 HydrophobicContact CB-CG2 4.1Å; P487-V489 VanDerWaalsContact C-N 3.32Å; P487-V489 PolarHBondContact O-N 3.12Å; V489-S491 WeakPolarHBondContact CG1-O 3.38Å; V489-I492 HydrophobicContact CG1-CG2 3.8Å; V489-Y504 HydrophobicContact CG1-CD2 4.27Å; V489-Y504 HydrophobicContact CG2-CD2 3.69Å; V489-Y504 HydrophobicContact CG2-CE2 4.16Å; V489-T505 CarbonylContact C-O 3.51Å; V489-T505 WeakPolarHBondContact CA-O 3.43Å
490S89.3Confident89.7Confident29 Ų2951.6 Ų51.620%0.20328%0.275CS..  trans-95.2-35.5175.559.50000113.1Y452 T505Y452-S490 VanDerWaalsContact CE1-O 3.32Å; Y452-S490 WeakPolarHBondContact CE1-O 3.03Å; S490-T505 PolarHBondContact N-O 2.94Å; S490-T505 PolarHBondContact OG-O 3.02Å; S490-T505 VanDerWaalsContact OG-O 3.06Å; S490-T505 PolarHBondContact OG-OG1 3.27Å
491S91.5Very high90Very high6 Ų644.8 Ų44.84%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-154.3160.1-18069.40000111.5V489 Y504 T505 Q527 T528V489-S491 WeakPolarHBondContact CG1-O 3.38Å; S491-Y504 CarbonylContact O-C 3.6Å; S491-Y504 VanDerWaalsContact O-CA 3.24Å; S491-Y504 WeakPolarHBondContact O-CA 3.38Å; S491-Y504 WeakPolarHBondContact O-CB 3.43Å; S491-T505 PolarHBondContact O-N 3.46Å; S491-T505 PolarHBondContact OG-OG1 3.05Å; S491-Q527 VanDerWaalsContact OG-CA 3.31Å; S491-Q527 WeakPolarHBondContact OG-CA 3.4Å; S491-T528 PolarHBondContact O-OG1 3.47Å; S491-T528 PolarHBondContact OG-N 2.91Å; S491-T528 PolarHBondContact OG-OG1 3.39Å
492I94Very high90.2Very high5 Ų539.6 Ų39.63%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-138.2147.6-172.950.4163.9000110.9S453 D455 A464 V466 M472 V489 A503 T528S453-I492 WeakPolarHBondContact OG-CG1 3.26Å; D455-I492 HydrophobicContact CB-CD1 4.09Å; D455-I492 HydrophobicContact CB-CG1 4.4Å; A464-I492 HydrophobicContact CB-CD1 3.77Å; A464-I492 VanDerWaalsContact O-CD1 3.25Å; A464-I492 WeakPolarHBondContact O-CD1 3.21Å; V466-I492 HydrophobicContact CG2-CB 4.34Å; V466-I492 HydrophobicContact CG2-CD1 3.99Å; V466-I492 HydrophobicContact CG2-CG1 3.93Å; V466-I492 HydrophobicContact CG2-CG2 3.47Å; V466-I492 VanDerWaalsContact CG2-CG2 3.47Å; M472-I492 HydrophobicContact CG-CG2 3.88Å; V489-I492 HydrophobicContact CG1-CG2 3.8Å; I492-A503 CarbonylContact C-O 3.57Å; I492-A503 WeakPolarHBondContact CA-O 3.28Å; I492-T528 PolarHBondContact N-OG1 3.04Å
493S92.4Very high90.4Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-151.4124.7167.6-171.70000111.9D455 A503 N530 F531D455-S493 VanDerWaalsContact OD2-CA 3.28Å; D455-S493 WeakPolarHBondContact OD2-CA 3.37Å; S493-A503 PolarHBondContact N-O 3.05Å; S493-A503 PolarHBondContact O-N 3.32Å; S493-N530 VanDerWaalsContact OG-C 3.27Å; S493-N530 WeakPolarHBondContact OG-CA 3.19Å; S493-F531 PolarHBondContact OG-N 3.33Å; S493-F531 VanDerWaalsContact OG-N 3.09Å
494W93.5Very high90.7Very high9 Ų931.7 Ų31.73%0.03417%0.17CC..EExtended strand (participates in β ladder)trans-73.2147.5167.4-79.6100.9000111D455 I456 K462 A464 V474 T496 N499 L502D455-W494 PolarHBondContact OD2-N 2.92Å; I456-W494 WeakPolarHBondContact O-CB 3.43Å; K462-W494 HydrophobicContact CB-CH2 4.23Å; K462-W494 HydrophobicContact CB-CZ2 3.98Å; K462-W494 HydrophobicContact CD-CH2 3.97Å; A464-W494 HydrophobicContact CB-CZ2 4.39Å; A464-W494 VanDerWaalsContact CB-NE1 3.31Å; V474-W494 HydrophobicContact CG1-CH2 4.21Å; V474-W494 HydrophobicContact CG1-CZ2 3.7Å; V474-W494 HydrophobicContact CG2-CZ2 4.34Å; W494-T496 PolarHBondContact O-N 3.46Å; W494-N499 WeakPolarHBondContact CZ3-O 3.44Å; W494-L502 HydrophobicContact CD2-CB 4.37Å; W494-L502 HydrophobicContact CD2-CD1 3.75Å; W494-L502 HydrophobicContact CE3-CB 4.01Å; W494-L502 HydrophobicContact CE3-CD1 4.26Å; W494-L502 HydrophobicContact CG-CD1 3.93Å; W494-L502 HydrophobicContact CH2-CB 4.17Å; W494-L502 HydrophobicContact CZ2-CD1 4.26Å; W494-L502 HydrophobicContact CZ2-CD2 4.33Å; W494-L502 HydrophobicContact CZ3-CB 3.9Å
495S90.5Very high90.7Very high1 Ų129.6 Ų29.61%0.00716%0.161CC..BIsolated β-bridgetrans-68.7129.6170.7178.40000110.6T497 N498 L501 F531S495-T497 PolarHBondContact O-N 3.35Å; S495-T497 PolarHBondContact OG-N 3.32Å; S495-T497 PolarHBondContact OG-OG1 3.28Å; S495-T497 VanDerWaalsContact OG-OG1 3.06Å; S495-N498 WeakPolarHBondContact CB-O 3.35Å; S495-N498 PolarHBondContact OG-N 2.94Å; S495-N498 VanDerWaalsContact OG-N 3.09Å; S495-L501 WeakPolarHBondContact CB-O 3.43Å; S495-L501 PolarHBondContact N-O 3.21Å; S495-F531 WeakPolarHBondContact CA-O 3.23Å
496T86.4Confident90.6Very high66 Ų6623.8 Ų23.841%0.40514%0.135SC..SBendtrans-74.4-16.7172.554.20000112.6R458 W494 F531 T532R458-T496 WeakPolarHBondContact CD-O 3.2Å; W494-T496 PolarHBondContact O-N 3.46Å; T496-F531 PolarHBondContact N-O 3.47Å; T496-F531 PolarHBondContact OG1-O 2.88Å; T496-T532 HydrophobicContact CG2-CG2 4.16Å; T496-T532 WeakPolarHBondContact OG1-CA 3.47Å; T496-T532 WeakPolarHBondContact OG1-CG2 3.44Å
497T85.1Confident90.4Very high37 Ų3727.3 Ų27.323%0.22716%0.155CC..SBendtrans-104.3-27.9-177.1550000113.3R458 S495 G533 F573R458-T497 PolarHBondContact NH1-O 2.83Å; S495-T497 PolarHBondContact O-N 3.35Å; S495-T497 PolarHBondContact OG-N 3.32Å; S495-T497 PolarHBondContact OG-OG1 3.28Å; S495-T497 VanDerWaalsContact OG-OG1 3.06Å; T497-G533 WeakPolarHBondContact OG1-CA 3.34Å; T497-G533 PolarHBondContact OG1-N 3.31Å; T497-F573 HydrophobicContact CG2-CE1 4.37Å
498N85.9Confident90.1Very high33 Ų3327.4 Ų27.418%0.17615%0.151CC..  trans-129.8132.9178.5-170.2-24.5000110.6S495 E500 L501 F573S495-N498 WeakPolarHBondContact CB-O 3.35Å; S495-N498 PolarHBondContact OG-N 2.94Å; S495-N498 VanDerWaalsContact OG-N 3.09Å; N498-E500 VanDerWaalsContact C-N 3.27Å; N498-E500 PolarHBondContact O-N 2.76Å; N498-E500 PolarHBondContact OD1-N 3.18Å; N498-L501 HydrophobicContact CB-CB 4.21Å; N498-L501 HydrophobicContact CB-CD1 3.79Å; N498-L501 HydrophobicContact CB-CG 3.96Å; N498-F573 HydrophobicContact CB-CE2 4.4Å
499N88.6Confident90Very high16 Ų1625.5 Ų25.59%0.08614%0.141CC..THydrogen-bonded Turntrans-71.8-19.1-178.3-15957.6000113.9S457 R458 N459 D461 W494S457-N499 WeakPolarHBondContact CB-OD1 3.38Å; S457-N499 PolarHBondContact OG-OD1 3.44Å; R458-N499 PolarHBondContact N-OD1 2.89Å; N459-N499 WeakPolarHBondContact CB-OD1 3.28Å; N459-N499 PolarHBondContact N-OD1 3.29Å; D461-N499 PolarHBondContact OD1-ND2 3.48Å; D461-N499 PolarHBondContact OD1-OD1 3.13Å; D461-N499 PolarHBondContact OD2-ND2 2.91Å; W494-N499 WeakPolarHBondContact CZ3-O 3.44Å
500E87.6Confident89.9Confident66 Ų6625.5 Ų25.531%0.30814%0.141SC..THydrogen-bonded Turntrans-97.5-9.8-175.9-61.2-53.5135.600114K462 N498 N514 G515K462-E500 IonicContact NZ-OE1 2.96Å; K462-E500 PolarHBondContact NZ-OE1 2.9Å; K462-E500 IonicContact NZ-OE2 3.64Å; K462-E500 PolarHBondContact NZ-OE2 3.48Å; N498-E500 VanDerWaalsContact C-N 3.27Å; N498-E500 PolarHBondContact O-N 2.76Å; N498-E500 PolarHBondContact OD1-N 3.18Å; E500-N514 WeakPolarHBondContact CB-OD1 3.19Å; E500-N514 WeakPolarHBondContact O-CA 3.47Å; E500-G515 PolarHBondContact O-N 3.44Å
501L90.1Very high90Very high1 Ų126.2 Ų26.21%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-94.3121.2-175.9-72.4179.7000111.6S495 N498 K513 N514 F531 L551 L570S495-L501 WeakPolarHBondContact CB-O 3.43Å; S495-L501 PolarHBondContact N-O 3.21Å; N498-L501 HydrophobicContact CB-CB 4.21Å; N498-L501 HydrophobicContact CB-CD1 3.79Å; N498-L501 HydrophobicContact CB-CG 3.96Å; L501-K513 WeakPolarHBondContact CA-O 3.25Å; L501-N514 HydrophobicContact CD2-CB 3.77Å; L501-F531 HydrophobicContact CB-CE1 3.65Å; L501-F531 HydrophobicContact CB-CZ 4.01Å; L501-F531 HydrophobicContact CD1-CE1 4.47Å; L501-F531 HydrophobicContact CD1-CZ 3.98Å; L501-F531 HydrophobicContact CG-CZ 4.5Å; L501-L551 HydrophobicContact CD1-CD2 4.12Å; L501-L551 HydrophobicContact CD2-CD2 4.44Å; L501-L570 HydrophobicContact CD1-CD1 4.1Å
502L92.8Very high90Very high2 Ų226.5 Ų26.51%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-122.7130174.4178.168.4000110.1A464 M472 V474 F484 W494 K513A464-L502 HydrophobicContact CB-CD1 4.36Å; M472-L502 HydrophobicContact CE-CD2 3.84Å; M472-L502 HydrophobicContact SD-CD2 4.06Å; V474-L502 HydrophobicContact CG2-CD2 3.87Å; F484-L502 HydrophobicContact CE2-CD2 4.21Å; F484-L502 HydrophobicContact CZ-CD2 3.79Å; W494-L502 HydrophobicContact CD2-CB 4.37Å; W494-L502 HydrophobicContact CD2-CD1 3.75Å; W494-L502 HydrophobicContact CE3-CB 4.01Å; W494-L502 HydrophobicContact CE3-CD1 4.26Å; W494-L502 HydrophobicContact CG-CD1 3.93Å; W494-L502 HydrophobicContact CH2-CB 4.17Å; W494-L502 HydrophobicContact CZ2-CD1 4.26Å; W494-L502 HydrophobicContact CZ2-CD2 4.33Å; W494-L502 HydrophobicContact CZ3-CB 3.9Å; L502-K513 PolarHBondContact N-O 2.82Å; L502-K513 PolarHBondContact O-N 3.32Å
503A92.8Very high89.8Confident0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-103.8139.7170.600000110.5I492 S493 L510 F511 T528 F531 I536I492-A503 CarbonylContact C-O 3.57Å; I492-A503 WeakPolarHBondContact CA-O 3.28Å; S493-A503 PolarHBondContact N-O 3.05Å; S493-A503 PolarHBondContact O-N 3.32Å; A503-L510 HydrophobicContact CB-CD1 4.47Å; A503-F511 CarbonylContact C-O 3.46Å; A503-F511 WeakPolarHBondContact CA-O 3.24Å; A503-T528 HydrophobicContact CB-CG2 4.28Å; A503-F531 HydrophobicContact CB-CB 4.4Å; A503-F531 HydrophobicContact CB-CD1 3.67Å; A503-F531 HydrophobicContact CB-CE1 4.15Å; A503-F531 HydrophobicContact CB-CG 4.24Å; A503-I536 HydrophobicContact CB-CD1 3.36Å; A503-I536 HydrophobicContact CB-CG1 3.96Å
504Y93.9Very high89.6Confident3 Ų327.6 Ų27.61%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-148.8149.117362-85.6000111.4M472 E486 V489 S491 F511 K513 S519M472-Y504 HydrophobicContact CE-CD1 3.58Å; M472-Y504 HydrophobicContact CE-CD2 4.1Å; M472-Y504 HydrophobicContact CE-CE1 3.89Å; M472-Y504 HydrophobicContact CE-CE2 4.35Å; M472-Y504 HydrophobicContact CE-CG 3.7Å; E486-Y504 HydrophobicContact CB-CE2 4.19Å; E486-Y504 VanDerWaalsContact CD-OH 3.31Å; E486-Y504 HydrophobicContact CG-CE1 4.46Å; E486-Y504 HydrophobicContact CG-CE2 4.23Å; E486-Y504 PolarHBondContact OE2-OH 3.34Å; V489-Y504 HydrophobicContact CG1-CD2 4.27Å; V489-Y504 HydrophobicContact CG2-CD2 3.69Å; V489-Y504 HydrophobicContact CG2-CE2 4.16Å; S491-Y504 CarbonylContact O-C 3.6Å; S491-Y504 VanDerWaalsContact O-CA 3.24Å; S491-Y504 WeakPolarHBondContact O-CA 3.38Å; S491-Y504 WeakPolarHBondContact O-CB 3.43Å; Y504-F511 HydrophobicContact CD1-CB 3.88Å; Y504-F511 HydrophobicContact CD2-CB 3.68Å; Y504-F511 AromaticContact CD2-CD2 3.84Å; Y504-F511 HydrophobicContact CD2-CD2 3.84Å; Y504-F511 HydrophobicContact CD2-CG 4.03Å; Y504-F511 HydrophobicContact CE1-CB 3.52Å; Y504-F511 HydrophobicContact CE1-CG 4.49Å; Y504-F511 HydrophobicContact CE2-CB 3.33Å; Y504-F511 HydrophobicContact CE2-CD1 4.28Å; Y504-F511 AromaticContact CE2-CD2 3.6Å; Y504-F511 HydrophobicContact CE2-CD2 3.6Å; Y504-F511 HydrophobicContact CE2-CE2 4.47Å; Y504-F511 AromaticContact CE2-CG 3.48Å; Y504-F511 HydrophobicContact CE2-CG 3.48Å; Y504-F511 VanDerWaalsContact CE2-CG 3.48Å; Y504-F511 HydrophobicContact CG-CB 3.96Å; Y504-F511 AromaticContact CZ-CG 3.75Å; Y504-F511 PolarHBondContact N-O 2.82Å; Y504-F511 PolarHBondContact O-N 3.44Å; Y504-K513 HydrophobicContact CE1-CB 4.21Å; Y504-S519 WeakPolarHBondContact OH-CB 3.48Å; Y504-S519 PolarHBondContact OH-OG 3.02Å; Y504-S519 VanDerWaalsContact OH-OG 3.11Å
505T92.8Very high89.1Confident2 Ų228.1 Ų28.11%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-113.8150.9178.856.60000111.6V489 S490 S491 L509 L510 G526 T528V489-T505 CarbonylContact C-O 3.51Å; V489-T505 WeakPolarHBondContact CA-O 3.43Å; S490-T505 PolarHBondContact N-O 2.94Å; S490-T505 PolarHBondContact OG-O 3.02Å; S490-T505 VanDerWaalsContact OG-O 3.06Å; S490-T505 PolarHBondContact OG-OG1 3.27Å; S491-T505 PolarHBondContact O-N 3.46Å; S491-T505 PolarHBondContact OG-OG1 3.05Å; T505-L509 CarbonylContact C-O 3.55Å; T505-L509 WeakPolarHBondContact CA-O 3.45Å; T505-L510 HydrophobicContact CG2-CB 4.48Å; T505-L510 HydrophobicContact CG2-CD1 3.87Å; T505-G526 WeakPolarHBondContact CG2-O 3.28Å; T505-T528 HydrophobicContact CG2-CG2 3.46Å; T505-T528 VanDerWaalsContact CG2-CG2 3.46Å
506G89.6Confident88.7Confident4 Ų437.6 Ų37.64%0.04120%0.198CC..EExtended strand (participates in β ladder)trans-166.8134.8173.800000110.6N488 D508 L509N488-G506 WeakPolarHBondContact O-CA 3.45Å; G506-D508 PolarHBondContact O-N 2.88Å; G506-L509 PolarHBondContact N-O 2.94Å; G506-L509 WeakPolarHBondContact O-CB 3.23Å; G506-L509 PolarHBondContact O-N 3.45Å
507N86.2Confident88.5Confident114 Ų11437 Ų3761%0.6119%0.19SC*.THydrogen-bonded Turntrans49.850.1178.4-58.7-18.2000113.9L509N507-L509 PolarHBondContact O-N 3Å; N507-L509 VanDerWaalsContact O-N 3.13Å
508D85.2Confident88.4Confident87 Ų8739.8 Ų39.847%0.46521%0.209SC..THydrogen-bonded Turntrans58.120.8-177.5-57.9-29.7000115.3G506 Y523 N524 K525G506-D508 PolarHBondContact O-N 2.88Å; D508-Y523 HydrophobicContact CB-CE2 4.27Å; D508-N524 CarbonylContact C-O 3.6Å; D508-N524 CarbonylContact O-C 3.56Å; D508-N524 PolarHBondContact O-N 3.26Å; D508-N524 VanDerWaalsContact O-N 3.12Å; D508-K525 HydrophobicContact CB-CG 4.31Å
509L89.6Confident88.4Confident54 Ų5440 Ų4028%0.28321%0.213SC..EExtended strand (participates in β ladder)trans-114.8142.5172.3-62.8171.2000110.2T505 G506 N507 F511 Y523T505-L509 CarbonylContact C-O 3.55Å; T505-L509 WeakPolarHBondContact CA-O 3.45Å; G506-L509 PolarHBondContact N-O 2.94Å; G506-L509 WeakPolarHBondContact O-CB 3.23Å; G506-L509 PolarHBondContact O-N 3.45Å; N507-L509 PolarHBondContact O-N 3Å; N507-L509 VanDerWaalsContact O-N 3.13Å; L509-F511 HydrophobicContact CB-CD2 4.4Å; L509-F511 HydrophobicContact CB-CE2 3.66Å; L509-F511 HydrophobicContact CB-CZ 3.9Å; L509-F511 HydrophobicContact CD1-CE2 4.5Å; L509-F511 HydrophobicContact CD1-CZ 3.99Å; L509-Y523 HydrophobicContact CD2-CD2 4.15Å
510L90.9Very high88.2Confident0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-101.6129.4169.6173.366.3000109.5A503 T505 I512 R521 Q522 N524 T528 I536 V547A503-L510 HydrophobicContact CB-CD1 4.47Å; T505-L510 HydrophobicContact CG2-CB 4.48Å; T505-L510 HydrophobicContact CG2-CD1 3.87Å; L510-I512 HydrophobicContact CD2-CD1 4.35Å; L510-I512 HydrophobicContact CG-CD1 4.46Å; L510-I512 HydrophobicContact CG-CG1 4.28Å; L510-R521 CarbonylContact O-C 3.59Å; L510-R521 WeakPolarHBondContact O-CA 3.45Å; L510-Q522 PolarHBondContact N-O 2.95Å; L510-Q522 PolarHBondContact O-N 3.46Å; L510-N524 HydrophobicContact CB-CB 3.8Å; L510-T528 HydrophobicContact CD1-CG2 3.51Å; L510-I536 HydrophobicContact CD1-CD1 3.93Å; L510-I536 HydrophobicContact CD1-CG2 4.35Å; L510-I536 HydrophobicContact CD2-CD1 3.87Å; L510-I536 HydrophobicContact CD2-CG2 4.42Å; L510-I536 HydrophobicContact CG-CD1 4.32Å; L510-V547 HydrophobicContact CD2-CG1 4.21Å
511F91.6Very high88.3Confident44 Ų4448.6 Ų48.619%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-116.5139.2178.1-61.9-89.8000110.5A503 Y504 L509 H520 R521A503-F511 CarbonylContact C-O 3.46Å; A503-F511 WeakPolarHBondContact CA-O 3.24Å; Y504-F511 HydrophobicContact CD1-CB 3.88Å; Y504-F511 HydrophobicContact CD2-CB 3.68Å; Y504-F511 AromaticContact CD2-CD2 3.84Å; Y504-F511 HydrophobicContact CD2-CD2 3.84Å; Y504-F511 HydrophobicContact CD2-CG 4.03Å; Y504-F511 HydrophobicContact CE1-CB 3.52Å; Y504-F511 HydrophobicContact CE1-CG 4.49Å; Y504-F511 HydrophobicContact CE2-CB 3.33Å; Y504-F511 HydrophobicContact CE2-CD1 4.28Å; Y504-F511 AromaticContact CE2-CD2 3.6Å; Y504-F511 HydrophobicContact CE2-CD2 3.6Å; Y504-F511 HydrophobicContact CE2-CE2 4.47Å; Y504-F511 AromaticContact CE2-CG 3.48Å; Y504-F511 HydrophobicContact CE2-CG 3.48Å; Y504-F511 VanDerWaalsContact CE2-CG 3.48Å; Y504-F511 HydrophobicContact CG-CB 3.96Å; Y504-F511 AromaticContact CZ-CG 3.75Å; Y504-F511 PolarHBondContact N-O 2.82Å; Y504-F511 PolarHBondContact O-N 3.44Å; L509-F511 HydrophobicContact CB-CD2 4.4Å; L509-F511 HydrophobicContact CB-CE2 3.66Å; L509-F511 HydrophobicContact CB-CZ 3.9Å; L509-F511 HydrophobicContact CD1-CE2 4.5Å; L509-F511 HydrophobicContact CD1-CZ 3.99Å; F511-H520 CarbonylContact C-O 3.56Å; F511-H520 VanDerWaalsContact CA-O 3.3Å; F511-H520 WeakPolarHBondContact CA-O 3.5Å; F511-R521 HydrophobicContact CD1-CB 4.05Å; F511-R521 HydrophobicContact CE1-CB 3.96Å
512I90.2Very high88.1Confident12 Ų1251.4 Ų51.46%0.06226%0.258CS..EExtended strand (participates in β ladder)trans-131.4113.7-174.8-55.4159.6000106.9L510 S519 H520 I536 I549L510-I512 HydrophobicContact CD2-CD1 4.35Å; L510-I512 HydrophobicContact CG-CD1 4.46Å; L510-I512 HydrophobicContact CG-CG1 4.28Å; I512-S519 CarbonylContact O-C 3.6Å; I512-S519 VanDerWaalsContact O-CA 3.3Å; I512-S519 WeakPolarHBondContact O-CA 3.4Å; I512-H520 PolarHBondContact N-O 2.71Å; I512-H520 PolarHBondContact O-N 2.87Å; I512-I536 HydrophobicContact CD1-CD1 4.43Å; I512-I536 HydrophobicContact CG1-CD1 4.18Å; I512-I549 HydrophobicContact CD1-CB 4Å; I512-I549 HydrophobicContact CD1-CD1 3.74Å; I512-I549 HydrophobicContact CD1-CG1 3.55Å; I512-I549 HydrophobicContact CD1-CG2 3.34Å; I512-I549 HydrophobicContact CG1-CD1 4.28Å; I512-I549 HydrophobicContact CG1-CG2 4.49Å; I512-I549 HydrophobicContact CG2-CG2 4.4Å
513K90.1Very high87.8Confident22 Ų2258.6 Ų58.610%0.09629%0.286CS..EExtended strand (participates in β ladder)trans-113.5133.2-175.4-162.3177.1-177.2102.50109.3F484 E486 L501 L502 Y504F484-K513 HydrophobicContact CD2-CD 3.95Å; F484-K513 HydrophobicContact CE1-CD 4.04Å; F484-K513 HydrophobicContact CE2-CD 3.41Å; F484-K513 VanDerWaalsContact CE2-CD 3.41Å; F484-K513 HydrophobicContact CG-CD 4.47Å; F484-K513 HydrophobicContact CZ-CD 3.47Å; F484-K513 VanDerWaalsContact CZ-CD 3.47Å; E486-K513 IonicContact OE1-NZ 3.92Å; E486-K513 PolarHBondContact OE1-NZ 3.05Å; L501-K513 WeakPolarHBondContact CA-O 3.25Å; L502-K513 PolarHBondContact N-O 2.82Å; L502-K513 PolarHBondContact O-N 3.32Å; Y504-K513 HydrophobicContact CE1-CB 4.21Å
514N88Confident87.3Confident7 Ų759.3 Ų59.34%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-114.3101.3176.2-176.125.5000109.5E500 L501 Q516 F517 A554 Y558E500-N514 WeakPolarHBondContact CB-OD1 3.19Å; E500-N514 WeakPolarHBondContact O-CA 3.47Å; L501-N514 HydrophobicContact CD2-CB 3.77Å; N514-Q516 PolarHBondContact O-N 3.19Å; N514-Q516 VanDerWaalsContact O-N 3.14Å; N514-F517 HydrophobicContact CB-CD2 4.36Å; N514-F517 WeakPolarHBondContact O-CB 3.17Å; N514-F517 VanDerWaalsContact O-CD2 3.29Å; N514-F517 WeakPolarHBondContact O-CD2 3.35Å; N514-F517 PolarHBondContact O-N 3.02Å; N514-A554 HydrophobicContact CB-CB 4.31Å; N514-Y558 WeakPolarHBondContact ND2-CE2 3.24Å
515G83.4Confident86.6Confident19 Ų1963.9 Ų63.920%0.19631%0.31CS..THydrogen-bonded Turntrans52.4-118.1-178.700000112.7E500E500-G515 PolarHBondContact O-N 3.44Å
516Q81.9Confident86.2Confident200 Ų20064.6 Ų64.694%0.93532%0.317SS*.THydrogen-bonded Turntrans-90.5-4.1-179.4-64.3-177.4-11.800114.1N514N514-Q516 PolarHBondContact O-N 3.19Å; N514-Q516 VanDerWaalsContact O-N 3.14Å
517F82.7Confident86.1Confident53 Ų5368 Ų6823%0.23233%0.332CS..SBendtrans-73.3154.1-179.3-63.6-63.1000111.8N514 H557 Y558N514-F517 HydrophobicContact CB-CD2 4.36Å; N514-F517 WeakPolarHBondContact O-CB 3.17Å; N514-F517 VanDerWaalsContact O-CD2 3.29Å; N514-F517 WeakPolarHBondContact O-CD2 3.35Å; N514-F517 PolarHBondContact O-N 3.02Å; F517-H557 HydrophobicContact CD1-CB 4.13Å; F517-H557 HydrophobicContact CE1-CB 3.99Å; F517-H557 HydrophobicContact CZ-CB 4.3Å; F517-Y558 HydrophobicContact CE2-CD1 4.46Å; F517-Y558 AromaticContact CE2-CE1 3.9Å; F517-Y558 HydrophobicContact CE2-CE1 3.9Å; F517-Y558 HydrophobicContact CE2-CE2 4.17Å; F517-Y558 AromaticContact CE2-CZ 3.74Å; F517-Y558 HydrophobicContact CZ-CD1 4.47Å; F517-Y558 HydrophobicContact CZ-CE1 4.22Å
518P83.5Confident86.3Confident96 Ų9662.8 Ų62.862%0.62330%0.304SS*.PPolyproline II helixtrans-57.9146.4174.524.3-34000111.2
519S84.6Confident86.3Confident39 Ų3959.8 Ų59.827%0.27329%0.288SS..PPolyproline II helixtrans-74134.3179.749.20000111.3Y504 I512Y504-S519 WeakPolarHBondContact OH-CB 3.48Å; Y504-S519 PolarHBondContact OH-OG 3.02Å; Y504-S519 VanDerWaalsContact OH-OG 3.11Å; I512-S519 CarbonylContact O-C 3.6Å; I512-S519 VanDerWaalsContact O-CA 3.3Å; I512-S519 WeakPolarHBondContact O-CA 3.4Å
520H85.8Confident86.2Confident75 Ų7557.8 Ų57.835%0.34728%0.277SS..EExtended strand (participates in β ladder)trans-80.2137.5169.1-178.7-87.7000109.3F511 I512F511-H520 CarbonylContact C-O 3.56Å; F511-H520 VanDerWaalsContact CA-O 3.3Å; F511-H520 WeakPolarHBondContact CA-O 3.5Å; I512-H520 PolarHBondContact N-O 2.71Å; I512-H520 PolarHBondContact O-N 2.87Å
521R88.4Confident86.2Confident187 Ų18757.8 Ų57.871%0.70628%0.277SS*.EExtended strand (participates in β ladder)trans-110.313918067.1-178.3-178.1178.6-0.1111.3L510 F511L510-R521 CarbonylContact O-C 3.59Å; L510-R521 WeakPolarHBondContact O-CA 3.45Å; F511-R521 HydrophobicContact CD1-CB 4.05Å; F511-R521 HydrophobicContact CE1-CB 3.96Å
522Q86.2Confident85.9Confident60 Ų6057.2 Ų57.228%0.2828%0.278SS..EExtended strand (participates in β ladder)trans-138.3142.1176.2-175.2173.4-0.400108.9L510 N524 E548L510-Q522 PolarHBondContact N-O 2.95Å; L510-Q522 PolarHBondContact O-N 3.46Å; Q522-N524 PolarHBondContact O-N 3.17Å; Q522-E548 PolarHBondContact NE2-O 3.47Å
523Y86.7Confident85.5Confident153 Ų15357.3 Ų57.360%0.628%0.282SS*.EExtended strand (participates in β ladder)trans-70.8126.4174.2-174.1-101.3000109.8D508 L509 K525D508-Y523 HydrophobicContact CB-CE2 4.27Å; L509-Y523 HydrophobicContact CD2-CD2 4.15Å; Y523-K525 HydrophobicContact CE1-CG 4.17Å; Y523-K525 WeakPolarHBondContact OH-CE 3.33Å
524N82.9Confident85.2Confident15 Ų1556.7 Ų56.78%0.0828%0.28CS..  trans-160.9121.2175.9-173.627.1000110.8D508 L510 Q522 C538D508-N524 CarbonylContact C-O 3.6Å; D508-N524 CarbonylContact O-C 3.56Å; D508-N524 PolarHBondContact O-N 3.26Å; D508-N524 VanDerWaalsContact O-N 3.12Å; L510-N524 HydrophobicContact CB-CB 3.8Å; Q522-N524 PolarHBondContact O-N 3.17Å; N524-C538 WeakPolarHBondContact ND2-CB 3.33Å; N524-C538 PolarHBondContact ND2-SG 2.96Å
525K79.5Confident85.3Confident99 Ų9958.4 Ų58.443%0.4329%0.287SS..  trans-82124.9175.3-64.7-172.1178.1-175.60109.6D508 Y523D508-K525 HydrophobicContact CB-CG 4.31Å; Y523-K525 HydrophobicContact CE1-CG 4.17Å; Y523-K525 WeakPolarHBondContact OH-CE 3.33Å
526G83.4Confident85.5Confident16 Ų1657.5 Ų57.517%0.16528%0.278CS..SBendtrans129.2178.2174.600000114.1T505 L539T505-G526 WeakPolarHBondContact CG2-O 3.28Å; G526-L539 CarbonylContact C-O 3.57Å; G526-L539 WeakPolarHBondContact CA-O 3.16Å
527Q87.7Confident85.9Confident75 Ų7548.2 Ų48.235%0.3523%0.234SC..EExtended strand (participates in β ladder)trans-101.6131-179.8-63.3178.24.400109.9S491 L529 C538 L539S491-Q527 VanDerWaalsContact OG-CA 3.31Å; S491-Q527 WeakPolarHBondContact OG-CA 3.4Å; Q527-L529 PolarHBondContact O-N 3.48Å; Q527-C538 CarbonylContact O-C 3.49Å; Q527-C538 VanDerWaalsContact O-CA 3.23Å; Q527-C538 WeakPolarHBondContact O-CA 3.28Å; Q527-L539 PolarHBondContact N-O 2.82Å; Q527-L539 PolarHBondContact O-N 2.76Å
528T89.4Confident86.2Confident5 Ų545.7 Ų45.73%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-63.8125.917148.20000111S491 I492 A503 T505 L510 I536S491-T528 PolarHBondContact O-OG1 3.47Å; S491-T528 PolarHBondContact OG-N 2.91Å; S491-T528 PolarHBondContact OG-OG1 3.39Å; I492-T528 PolarHBondContact N-OG1 3.04Å; A503-T528 HydrophobicContact CB-CG2 4.28Å; T505-T528 HydrophobicContact CG2-CG2 3.46Å; T505-T528 VanDerWaalsContact CG2-CG2 3.46Å; L510-T528 HydrophobicContact CD1-CG2 3.51Å; T528-I536 HydrophobicContact CG2-CG2 3.64Å
529L86.6Confident86.4Confident25 Ų2541.7 Ų41.713%0.13120%0.196CC..EExtended strand (participates in β ladder)trans-102-39.4174.5-67.3176.9000112.5F305 R411 Q527 Y537 L539 I544F305-L529 HydrophobicContact CB-CD1 4.24Å; F305-L529 HydrophobicContact CD1-CB 4.34Å; F305-L529 HydrophobicContact CG-CD1 4.22Å; R411-L529 PolarHBondContact NH1-O 3.4Å; R411-L529 PolarHBondContact NH2-O 3.38Å; R411-L529 VanDerWaalsContact NH2-O 3.14Å; Q527-L529 PolarHBondContact O-N 3.48Å; L529-Y537 PolarHBondContact N-O 2.86Å; L529-L539 HydrophobicContact CD1-CB 3.77Å; L529-L539 HydrophobicContact CD2-CB 4.36Å; L529-L539 HydrophobicContact CG-CB 4Å; L529-I544 HydrophobicContact CD1-CD1 3.31Å; L529-I544 HydrophobicContact CD1-CG1 3.86Å
530N87.9Confident86.3Confident11 Ų1142.6 Ų42.66%0.05920%0.197CC..EExtended strand (participates in β ladder)trans-156.9153.1-174.7-166.722.7000112.4F305 S493 T532 I536 Y537F305-N530 HydrophobicContact CD1-CB 4.36Å; F305-N530 HydrophobicContact CE1-CB 3.32Å; F305-N530 HydrophobicContact CZ-CB 3.7Å; S493-N530 VanDerWaalsContact OG-C 3.27Å; S493-N530 WeakPolarHBondContact OG-CA 3.19Å; N530-T532 WeakPolarHBondContact ND2-CG2 3.17Å; N530-I536 WeakPolarHBondContact O-CA 3.46Å; N530-Y537 HydrophobicContact CB-CD2 4.13Å; N530-Y537 PolarHBondContact O-N 3.41Å
531F89.3Confident85.9Confident0 Ų046.5 Ų46.50%022%0.215CC..EExtended strand (participates in β ladder)trans-133.2115.9178.8-175.9-172.7000110S493 S495 T496 L501 A503 G533 F535 I536 I549S493-F531 PolarHBondContact OG-N 3.33Å; S493-F531 VanDerWaalsContact OG-N 3.09Å; S495-F531 WeakPolarHBondContact CA-O 3.23Å; T496-F531 PolarHBondContact N-O 3.47Å; T496-F531 PolarHBondContact OG1-O 2.88Å; L501-F531 HydrophobicContact CB-CE1 3.65Å; L501-F531 HydrophobicContact CB-CZ 4.01Å; L501-F531 HydrophobicContact CD1-CE1 4.47Å; L501-F531 HydrophobicContact CD1-CZ 3.98Å; L501-F531 HydrophobicContact CG-CZ 4.5Å; A503-F531 HydrophobicContact CB-CB 4.4Å; A503-F531 HydrophobicContact CB-CD1 3.67Å; A503-F531 HydrophobicContact CB-CE1 4.15Å; A503-F531 HydrophobicContact CB-CG 4.24Å; F531-G533 VanDerWaalsContact CE2-O 3.27Å; F531-G533 WeakPolarHBondContact CE2-O 3.33Å; F531-F535 WeakPolarHBondContact CD2-O 3.44Å; F531-I536 HydrophobicContact CB-CG1 4.02Å; F531-I536 HydrophobicContact CD1-CG1 4.36Å; F531-I536 HydrophobicContact CD2-CD1 4.32Å; F531-I536 HydrophobicContact CD2-CG1 3.58Å; F531-I536 HydrophobicContact CE2-CD1 4.44Å; F531-I536 HydrophobicContact CE2-CG1 4.09Å; F531-I536 HydrophobicContact CG-CD1 4.37Å; F531-I536 HydrophobicContact CG-CG1 3.75Å; F531-I549 HydrophobicContact CD2-CD1 4.3Å; F531-I549 HydrophobicContact CE2-CD1 3.56Å; F531-I549 HydrophobicContact CZ-CD1 3.78Å
532T86.4Confident85.1Confident33 Ų3341.4 Ų41.420%0.20220%0.202CC..EExtended strand (participates in β ladder)trans-138.5120.6-177.256.60000110.1T496 N530 S534 F535 Y537T496-T532 HydrophobicContact CG2-CG2 4.16Å; T496-T532 WeakPolarHBondContact OG1-CA 3.47Å; T496-T532 WeakPolarHBondContact OG1-CG2 3.44Å; N530-T532 WeakPolarHBondContact ND2-CG2 3.17Å; T532-S534 PolarHBondContact O-N 3.41Å; T532-F535 PolarHBondContact N-O 3.45Å; T532-F535 PolarHBondContact O-N 2.85Å; T532-Y537 WeakPolarHBondContact OG1-CE2 3.38Å
533G81.6Confident84.7Confident14 Ų1442 Ų4214%0.14421%0.21CC..THydrogen-bonded Turntrans65.1-126.5-17900000111.5T497 F531T497-G533 WeakPolarHBondContact OG1-CA 3.34Å; T497-G533 PolarHBondContact OG1-N 3.31Å; F531-G533 VanDerWaalsContact CE2-O 3.27Å; F531-G533 WeakPolarHBondContact CE2-O 3.33Å
534S84.4Confident84.6Confident8 Ų835.4 Ų35.46%0.05619%0.185CC..THydrogen-bonded Turntrans-91.63.1172.555.70000113.8T532 I549T532-S534 PolarHBondContact O-N 3.41Å; S534-I549 WeakPolarHBondContact O-CB 3.36Å; S534-I549 PolarHBondContact O-N 3.03Å
535F88.4Confident84.7Confident43 Ų4338.1 Ų38.119%0.18920%0.199CC..EExtended strand (participates in β ladder)trans-112.1135.3-173-61-80.1000112.8F531 T532 R546 V547 E548F531-F535 WeakPolarHBondContact CD2-O 3.44Å; T532-F535 PolarHBondContact N-O 3.45Å; T532-F535 PolarHBondContact O-N 2.85Å; F535-R546 HydrophobicContact CB-CG 4.13Å; F535-R546 HydrophobicContact CD1-CG 3.71Å; F535-R546 HydrophobicContact CG-CG 4.16Å; F535-R546 VanDerWaalsContact CG-NE 3.3Å; F535-V547 WeakPolarHBondContact CA-O 3.5Å; F535-E548 HydrophobicContact CD1-CB 3.94Å; F535-E548 HydrophobicContact CD1-CG 4.2Å; F535-E548 HydrophobicContact CE1-CB 3.67Å; F535-E548 HydrophobicContact CE1-CG 3.7Å; F535-E548 HydrophobicContact CZ-CG 4.16Å
536I89Confident85Confident0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-111.6136.2168.8-77.7162.9000109.3A503 L510 I512 T528 N530 F531 C538 V547 I549A503-I536 HydrophobicContact CB-CD1 3.36Å; A503-I536 HydrophobicContact CB-CG1 3.96Å; L510-I536 HydrophobicContact CD1-CD1 3.93Å; L510-I536 HydrophobicContact CD1-CG2 4.35Å; L510-I536 HydrophobicContact CD2-CD1 3.87Å; L510-I536 HydrophobicContact CD2-CG2 4.42Å; L510-I536 HydrophobicContact CG-CD1 4.32Å; I512-I536 HydrophobicContact CD1-CD1 4.43Å; I512-I536 HydrophobicContact CG1-CD1 4.18Å; T528-I536 HydrophobicContact CG2-CG2 3.64Å; N530-I536 WeakPolarHBondContact O-CA 3.46Å; F531-I536 HydrophobicContact CB-CG1 4.02Å; F531-I536 HydrophobicContact CD1-CG1 4.36Å; F531-I536 HydrophobicContact CD2-CD1 4.32Å; F531-I536 HydrophobicContact CD2-CG1 3.58Å; F531-I536 HydrophobicContact CE2-CD1 4.44Å; F531-I536 HydrophobicContact CE2-CG1 4.09Å; F531-I536 HydrophobicContact CG-CD1 4.37Å; F531-I536 HydrophobicContact CG-CG1 3.75Å; I536-C538 WeakPolarHBondContact CG2-SG 3.2Å; I536-V547 PolarHBondContact N-O 3.16Å; I536-V547 PolarHBondContact O-N 2.75Å; I536-I549 HydrophobicContact CB-CD1 4.35Å; I536-I549 HydrophobicContact CD1-CD1 3.1Å; I536-I549 HydrophobicContact CD1-CG1 3.91Å; I536-I549 HydrophobicContact CG1-CD1 3.55Å; I536-I549 HydrophobicContact CG1-CG1 4.44Å
537Y89.9Confident85.2Confident5 Ų538.2 Ų38.22%0.0219%0.194CC..EExtended strand (participates in β ladder)trans-98.5120.8173.9-63-83.1000109.6F305 L324 L529 N530 T532 I544 N545 R546F305-Y537 HydrophobicContact CE2-CD1 4.11Å; F305-Y537 HydrophobicContact CE2-CD2 4.39Å; F305-Y537 AromaticContact CE2-CG 3.91Å; F305-Y537 HydrophobicContact CE2-CG 3.91Å; F305-Y537 HydrophobicContact CZ-CD1 4.31Å; F305-Y537 AromaticContact CZ-CD2 3.77Å; F305-Y537 HydrophobicContact CZ-CD2 3.77Å; F305-Y537 HydrophobicContact CZ-CE2 4.38Å; F305-Y537 AromaticContact CZ-CG 3.7Å; F305-Y537 HydrophobicContact CZ-CG 3.7Å; L324-Y537 HydrophobicContact CB-CE1 3.95Å; L324-Y537 HydrophobicContact CD1-CD1 3.49Å; L324-Y537 VanDerWaalsContact CD1-CD1 3.49Å; L324-Y537 HydrophobicContact CD1-CE1 3.64Å; L324-Y537 HydrophobicContact CD1-CG 4.48Å; L324-Y537 HydrophobicContact CG-CE1 4.48Å; L529-Y537 PolarHBondContact N-O 2.86Å; N530-Y537 HydrophobicContact CB-CD2 4.13Å; N530-Y537 PolarHBondContact O-N 3.41Å; T532-Y537 WeakPolarHBondContact OG1-CE2 3.38Å; Y537-I544 HydrophobicContact CD1-CG2 4.1Å; Y537-N545 WeakPolarHBondContact CA-O 3.34Å; Y537-R546 HydrophobicContact CD1-CB 4.17Å; Y537-R546 HydrophobicContact CD1-CG 4.34Å; Y537-R546 HydrophobicContact CE1-CB 4.04Å; Y537-R546 HydrophobicContact CE1-CG 3.88Å
538C89.4Confident85.1Confident0 Ų040.4 Ų40.40%020%0.204CC..EExtended strand (participates in β ladder)trans-119.5126.7-177.4-75.40000111.7N524 Q527 I536 I544 N545N524-C538 WeakPolarHBondContact ND2-CB 3.33Å; N524-C538 PolarHBondContact ND2-SG 2.96Å; Q527-C538 CarbonylContact O-C 3.49Å; Q527-C538 VanDerWaalsContact O-CA 3.23Å; Q527-C538 WeakPolarHBondContact O-CA 3.28Å; I536-C538 WeakPolarHBondContact CG2-SG 3.2Å; C538-I544 CarbonylContact O-C 3.56Å; C538-I544 WeakPolarHBondContact O-CA 3.45Å; C538-N545 PolarHBondContact N-O 3.06Å; C538-N545 PolarHBondContact O-N 3.09Å
539L87Confident84.8Confident12 Ų1240.5 Ų40.56%0.06320%0.204CC..EExtended strand (participates in β ladder)trans-86.5123.6174.2-177.473000110.6Y303 Y310 G526 Q527 L529 T543 I544Y303-L539 HydrophobicContact CD1-CD2 4.29Å; Y303-L539 HydrophobicContact CD2-CD2 4.41Å; Y303-L539 HydrophobicContact CE1-CD2 3.55Å; Y303-L539 HydrophobicContact CE2-CD2 3.69Å; Y303-L539 WeakPolarHBondContact OH-CD2 3.41Å; Y310-L539 HydrophobicContact CE2-CD1 4.37Å; G526-L539 CarbonylContact C-O 3.57Å; G526-L539 WeakPolarHBondContact CA-O 3.16Å; Q527-L539 PolarHBondContact N-O 2.82Å; Q527-L539 PolarHBondContact O-N 2.76Å; L529-L539 HydrophobicContact CD1-CB 3.77Å; L529-L539 HydrophobicContact CD2-CB 4.36Å; L529-L539 HydrophobicContact CG-CB 4Å; L539-T543 WeakPolarHBondContact CA-O 3.48Å; L539-I544 HydrophobicContact CB-CG1 4.48Å; L539-I544 HydrophobicContact CD1-CG1 3.79Å
540H83.3Confident84.6Confident59 Ų5942.4 Ų42.427%0.27322%0.22SC..EExtended strand (participates in β ladder)trans-123.8119.7168-176.1-87.3000108.7N542 T543H540-N542 PolarHBondContact O-N 2.61Å; H540-T543 PolarHBondContact N-O 3.41Å; H540-T543 PolarHBondContact O-N 2.92Å; H540-T543 VanDerWaalsContact O-O 3.11Å; H540-T543 PolarHBondContact O-OG1 3.24Å
541E75.8Confident84.4Confident156 Ų15642 Ų4273%0.72922%0.218SC*.THydrogen-bonded Turntrans54.8-102-173.2-61.3171.7-176.900111.7
542N72.3Confident84.2Confident81 Ų8142.9 Ų42.943%0.43322%0.224SC..THydrogen-bonded Turntrans-123.823.7176.9-69.3-25.4000112.2P301 Y310 H540P301-N542 VanDerWaalsContact CB-OD1 3.28Å; P301-N542 WeakPolarHBondContact CB-OD1 3.41Å; Y310-N542 VanDerWaalsContact OH-C 3.31Å; Y310-N542 PolarHBondContact OH-O 3.47Å; Y310-N542 VanDerWaalsContact OH-O 3.06Å; H540-N542 PolarHBondContact O-N 2.61Å
543T77.2Confident84Confident73 Ų7343.6 Ų43.645%0.44823%0.229SC..EExtended strand (participates in β ladder)trans-126.3135.9-179.656.20000110.2L539 H540L539-T543 WeakPolarHBondContact CA-O 3.48Å; H540-T543 PolarHBondContact N-O 3.41Å; H540-T543 PolarHBondContact O-N 2.92Å; H540-T543 VanDerWaalsContact O-O 3.11Å; H540-T543 PolarHBondContact O-OG1 3.24Å
544I84.9Confident84Confident14 Ų1443.6 Ų43.67%0.07223%0.228CC..EExtended strand (participates in β ladder)trans-100.6123.7172.9-65.1-175.8000109.1F305 Y310 L324 L529 Y537 C538 L539F305-I544 HydrophobicContact CB-CD1 4.08Å; F305-I544 HydrophobicContact CD2-CD1 3.42Å; F305-I544 VanDerWaalsContact CD2-CD1 3.42Å; F305-I544 HydrophobicContact CE2-CD1 4.14Å; F305-I544 HydrophobicContact CG-CD1 4.03Å; Y310-I544 HydrophobicContact CD1-CB 4.46Å; Y310-I544 HydrophobicContact CD1-CD1 4.22Å; Y310-I544 HydrophobicContact CD1-CG1 4.17Å; Y310-I544 HydrophobicContact CD2-CD1 3.05Å; Y310-I544 HydrophobicContact CD2-CG1 3.74Å; Y310-I544 HydrophobicContact CE1-CG1 4.15Å; Y310-I544 HydrophobicContact CE2-CD1 3.38Å; Y310-I544 HydrophobicContact CE2-CG1 3.66Å; Y310-I544 HydrophobicContact CG-CB 4.46Å; Y310-I544 HydrophobicContact CG-CD1 3.5Å; Y310-I544 VanDerWaalsContact CG-CD1 3.5Å; Y310-I544 HydrophobicContact CG-CG1 3.96Å; L324-I544 HydrophobicContact CD1-CB 4.23Å; L324-I544 HydrophobicContact CD1-CG2 3.65Å; L324-I544 HydrophobicContact CD2-CB 4.24Å; L324-I544 HydrophobicContact CD2-CG2 4.37Å; L529-I544 HydrophobicContact CD1-CD1 3.31Å; L529-I544 HydrophobicContact CD1-CG1 3.86Å; Y537-I544 HydrophobicContact CD1-CG2 4.1Å; C538-I544 CarbonylContact O-C 3.56Å; C538-I544 WeakPolarHBondContact O-CA 3.45Å; L539-I544 HydrophobicContact CB-CG1 4.48Å; L539-I544 HydrophobicContact CD1-CG1 3.79Å
545N84.7Confident84.1Confident72 Ų7243.4 Ų43.439%0.38523%0.226SC..EExtended strand (participates in β ladder)trans-97.9133.5172.4-64.7-22.1000109.6Y537 C538 V547Y537-N545 WeakPolarHBondContact CA-O 3.34Å; C538-N545 PolarHBondContact N-O 3.06Å; C538-N545 PolarHBondContact O-N 3.09Å; N545-V547 HydrophobicContact CB-CG2 4.5Å
546R86.9Confident84.1Confident97 Ų9746.6 Ų46.637%0.36624%0.238SC..EExtended strand (participates in β ladder)trans-91.5111.2170.1-178.9-178.2173.8-161.5-0.6108.2F535 Y537F535-R546 HydrophobicContact CB-CG 4.13Å; F535-R546 HydrophobicContact CD1-CG 3.71Å; F535-R546 HydrophobicContact CG-CG 4.16Å; F535-R546 VanDerWaalsContact CG-NE 3.3Å; Y537-R546 HydrophobicContact CD1-CB 4.17Å; Y537-R546 HydrophobicContact CD1-CG 4.34Å; Y537-R546 HydrophobicContact CE1-CB 4.04Å; Y537-R546 HydrophobicContact CE1-CG 3.88Å
547V87.1Confident84Confident20 Ų2050.4 Ų50.412%0.12126%0.255CS..EExtended strand (participates in β ladder)trans-103.5121-178-1780000109.2L510 F535 I536 N545L510-V547 HydrophobicContact CD2-CG1 4.21Å; F535-V547 WeakPolarHBondContact CA-O 3.5Å; I536-V547 PolarHBondContact N-O 3.16Å; I536-V547 PolarHBondContact O-N 2.75Å; N545-V547 HydrophobicContact CB-CG2 4.5Å
548E86Confident83.8Confident120 Ų12051.6 Ų51.656%0.56126%0.26SS*.EExtended strand (participates in β ladder)trans-83.3140.1172.4-168.2167.7-167.100110.9Q522 F535Q522-E548 PolarHBondContact NE2-O 3.47Å; F535-E548 HydrophobicContact CD1-CB 3.94Å; F535-E548 HydrophobicContact CD1-CG 4.2Å; F535-E548 HydrophobicContact CE1-CB 3.67Å; F535-E548 HydrophobicContact CE1-CG 3.7Å; F535-E548 HydrophobicContact CZ-CG 4.16Å
549I83.7Confident83.7Confident7 Ų752.3 Ų52.34%0.03626%0.263CS..  trans-113.2137.7-176.1-59.7163.1000109.7I512 F531 S534 I536 L551I512-I549 HydrophobicContact CD1-CB 4Å; I512-I549 HydrophobicContact CD1-CD1 3.74Å; I512-I549 HydrophobicContact CD1-CG1 3.55Å; I512-I549 HydrophobicContact CD1-CG2 3.34Å; I512-I549 HydrophobicContact CG1-CD1 4.28Å; I512-I549 HydrophobicContact CG1-CG2 4.49Å; I512-I549 HydrophobicContact CG2-CG2 4.4Å; F531-I549 HydrophobicContact CD2-CD1 4.3Å; F531-I549 HydrophobicContact CE2-CD1 3.56Å; F531-I549 HydrophobicContact CZ-CD1 3.78Å; S534-I549 WeakPolarHBondContact O-CB 3.36Å; S534-I549 PolarHBondContact O-N 3.03Å; I536-I549 HydrophobicContact CB-CD1 4.35Å; I536-I549 HydrophobicContact CD1-CD1 3.1Å; I536-I549 HydrophobicContact CD1-CG1 3.91Å; I536-I549 HydrophobicContact CG1-CD1 3.55Å; I536-I549 HydrophobicContact CG1-CG1 4.44Å; I549-L551 HydrophobicContact CG2-CD2 4.19Å; I549-L551 PolarHBondContact O-N 2.95Å
550S82.1Confident83.5Confident65 Ų6555.1 Ų55.146%0.45530%0.296SS..  trans-79.2114163.7-174.20000111S552S550-S552 VanDerWaalsContact C-N 3.29Å; S550-S552 PolarHBondContact OG-OG 3.26Å
551L82.5Confident83.5Confident4 Ų456.3 Ų56.32%0.02131%0.307CS..  trans-84.5-4.9172.3-65.5174.8000112.8L501 I549 P553 A554 V555 L570 F573 L575L501-L551 HydrophobicContact CD1-CD2 4.12Å; L501-L551 HydrophobicContact CD2-CD2 4.44Å; I549-L551 HydrophobicContact CG2-CD2 4.19Å; I549-L551 PolarHBondContact O-N 2.95Å; L551-P553 VanDerWaalsContact C-CD 3.46Å; L551-A554 PolarHBondContact O-N 3.03Å; L551-A554 VanDerWaalsContact O-N 3.1Å; L551-V555 PolarHBondContact O-N 2.95Å; L551-V555 VanDerWaalsContact O-N 3.15Å; L551-L570 HydrophobicContact CD1-CD1 4.29Å; L551-F573 HydrophobicContact CD1-CB 3.66Å; L551-L575 HydrophobicContact CB-CD2 4.47Å
552S85.1Confident83.8Confident18 Ų1850.3 Ų50.313%0.12629%0.288CS..Hα-helixtrans-50.4-46.8-177.5-35.40000113.4S550 A554 V555 Y556S550-S552 VanDerWaalsContact C-N 3.29Å; S550-S552 PolarHBondContact OG-OG 3.26Å; S552-A554 VanDerWaalsContact C-N 3.3Å; S552-A554 PolarHBondContact O-N 3.27Å; S552-V555 WeakPolarHBondContact O-CB 3.33Å; S552-V555 PolarHBondContact O-N 3.11Å; S552-Y556 WeakPolarHBondContact O-CD2 3.49Å; S552-Y556 PolarHBondContact O-N 3.37Å
553P83.2Confident84.5Confident47 Ų4751.1 Ų51.131%0.30529%0.289SS..Hα-helixtrans-58-41.6-179.9-25.135.4000113.1L551 V555 Y556 H557L551-P553 VanDerWaalsContact C-CD 3.46Å; P553-V555 VanDerWaalsContact C-N 3.34Å; P553-Y556 PolarHBondContact O-N 3.47Å; P553-H557 PolarHBondContact O-CD2 2.81Å; P553-H557 PolarHBondContact O-N 3.3Å; P553-H557 VanDerWaalsContact O-N 3.07Å
554A81.6Confident84.9Confident15 Ų1548.2 Ų48.212%0.12427%0.27CS..Hα-helixtrans-67.9-35.617800000111.8N514 L551 S552 H557 Y558 L570N514-A554 HydrophobicContact CB-CB 4.31Å; L551-A554 PolarHBondContact O-N 3.03Å; L551-A554 VanDerWaalsContact O-N 3.1Å; S552-A554 VanDerWaalsContact C-N 3.3Å; S552-A554 PolarHBondContact O-N 3.27Å; A554-H557 PolarHBondContact O-N 2.86Å; A554-Y558 WeakPolarHBondContact O-CD2 3.49Å; A554-Y558 PolarHBondContact O-N 3.11Å; A554-L570 HydrophobicContact CB-CD2 3.5Å; A554-L570 VanDerWaalsContact CB-CD2 3.5Å
555V85.9Confident85Confident3 Ų351.9 Ų51.92%0.01829%0.29CS..Hα-helixtrans-67.2-44174.6175.60000111.3L551 S552 P553 H557 Y558 L559 A567 L570 L575 I583L551-V555 PolarHBondContact O-N 2.95Å; L551-V555 VanDerWaalsContact O-N 3.15Å; S552-V555 WeakPolarHBondContact O-CB 3.33Å; S552-V555 PolarHBondContact O-N 3.11Å; P553-V555 VanDerWaalsContact C-N 3.34Å; V555-H557 VanDerWaalsContact C-N 3.26Å; V555-H557 PolarHBondContact O-N 3.16Å; V555-Y558 PolarHBondContact O-N 3.08Å; V555-Y558 VanDerWaalsContact O-N 3.08Å; V555-L559 HydrophobicContact CG1-CD1 4.17Å; V555-L559 HydrophobicContact CG1-CG 4.32Å; V555-L559 WeakPolarHBondContact O-CG 3.36Å; V555-L559 PolarHBondContact O-N 3.49Å; V555-A567 HydrophobicContact CG1-CB 4.19Å; V555-L570 HydrophobicContact CG2-CB 4.04Å; V555-L570 HydrophobicContact CG2-CD2 3.72Å; V555-L570 HydrophobicContact CG2-CG 3.9Å; V555-L575 HydrophobicContact CB-CD1 4.25Å; V555-L575 HydrophobicContact CG1-CD1 3.92Å; V555-L575 HydrophobicContact CG2-CD1 3.91Å; V555-L575 HydrophobicContact CG2-CD2 4.1Å; V555-L575 HydrophobicContact CG2-CG 4.42Å; V555-I583 HydrophobicContact CG1-CD1 4.03Å; V555-I583 HydrophobicContact CG1-CG1 4.47Å
556Y88Confident85Confident111 Ų11153.1 Ų53.144%0.43529%0.293SS..Hα-helixtrans-61-34.7175.5-82.9-73.1000112.5S552 P553 L559 G560 D579 V582S552-Y556 WeakPolarHBondContact O-CD2 3.49Å; S552-Y556 PolarHBondContact O-N 3.37Å; P553-Y556 PolarHBondContact O-N 3.47Å; Y556-L559 HydrophobicContact CD1-CD1 4.37Å; Y556-L559 PolarHBondContact O-N 3.01Å; Y556-G560 PolarHBondContact O-N 2.88Å; Y556-D579 WeakPolarHBondContact CE2-OD1 3.19Å; Y556-D579 PolarHBondContact OH-OD1 2.98Å; Y556-V582 HydrophobicContact CE1-CG1 4.3Å
557H86.5Confident85Confident80 Ų8048.5 Ų48.537%0.3728%0.276SS..Hα-helixtrans-61.3-45.3171.6-74.4-53.3000112.1F517 P553 A554 V555 G560 T561F517-H557 HydrophobicContact CD1-CB 4.13Å; F517-H557 HydrophobicContact CE1-CB 3.99Å; F517-H557 HydrophobicContact CZ-CB 4.3Å; P553-H557 PolarHBondContact O-CD2 2.81Å; P553-H557 PolarHBondContact O-N 3.3Å; P553-H557 VanDerWaalsContact O-N 3.07Å; A554-H557 PolarHBondContact O-N 2.86Å; V555-H557 VanDerWaalsContact C-N 3.26Å; V555-H557 PolarHBondContact O-N 3.16Å; H557-G560 PolarHBondContact O-N 3.26Å; H557-T561 WeakPolarHBondContact O-CG2 3.21Å; H557-T561 PolarHBondContact O-N 2.79Å; H557-T561 VanDerWaalsContact O-N 3.14Å; H557-T561 PolarHBondContact O-OG1 2.81Å
558Y86.8Confident85Confident29 Ų2950 Ų5011%0.11428%0.28CS..Hα-helixtrans-66.6-36.4175.1-74.6-64.2000113.5N514 F517 A554 V555 T561 G562 Q563 E566 L570N514-Y558 WeakPolarHBondContact ND2-CE2 3.24Å; F517-Y558 HydrophobicContact CE2-CD1 4.46Å; F517-Y558 AromaticContact CE2-CE1 3.9Å; F517-Y558 HydrophobicContact CE2-CE1 3.9Å; F517-Y558 HydrophobicContact CE2-CE2 4.17Å; F517-Y558 AromaticContact CE2-CZ 3.74Å; F517-Y558 HydrophobicContact CZ-CD1 4.47Å; F517-Y558 HydrophobicContact CZ-CE1 4.22Å; A554-Y558 WeakPolarHBondContact O-CD2 3.49Å; A554-Y558 PolarHBondContact O-N 3.11Å; V555-Y558 PolarHBondContact O-N 3.08Å; V555-Y558 VanDerWaalsContact O-N 3.08Å; Y558-T561 WeakPolarHBondContact CA-OG1 3.29Å; Y558-T561 PolarHBondContact O-N 3.3Å; Y558-T561 PolarHBondContact O-OG1 3.47Å; Y558-G562 PolarHBondContact O-N 3.22Å; Y558-G562 VanDerWaalsContact O-N 3.15Å; Y558-Q563 HydrophobicContact CD1-CB 4.11Å; Y558-Q563 VanDerWaalsContact CD1-OE1 3.28Å; Y558-Q563 PolarHBondContact O-N 3.28Å; Y558-E566 HydrophobicContact CD1-CB 3.69Å; Y558-E566 HydrophobicContact CD2-CB 4.42Å; Y558-E566 HydrophobicContact CE1-CB 3.69Å; Y558-E566 HydrophobicContact CE1-CG 4.26Å; Y558-E566 HydrophobicContact CE2-CB 4.41Å; Y558-E566 HydrophobicContact CG-CB 4.07Å; Y558-L570 HydrophobicContact CD2-CD2 4.19Å; Y558-L570 HydrophobicContact CE2-CD2 4.06Å
559L86.6Confident85Confident15 Ų1549.5 Ų49.58%0.07928%0.278CS..Hα-helixtrans-64.6-41.4175.5-70.4177000111.5V555 Y556 T561 G562 L564 A567 V582 I583V555-L559 HydrophobicContact CG1-CD1 4.17Å; V555-L559 HydrophobicContact CG1-CG 4.32Å; V555-L559 WeakPolarHBondContact O-CG 3.36Å; V555-L559 PolarHBondContact O-N 3.49Å; Y556-L559 HydrophobicContact CD1-CD1 4.37Å; Y556-L559 PolarHBondContact O-N 3.01Å; L559-T561 VanDerWaalsContact C-N 3.35Å; L559-T561 PolarHBondContact O-N 2.56Å; L559-G562 PolarHBondContact O-N 3.07Å; L559-G562 VanDerWaalsContact O-N 3.14Å; L559-L564 HydrophobicContact CD2-CD2 3.74Å; L559-A567 HydrophobicContact CD2-CB 3.9Å; L559-A567 HydrophobicContact CG-CB 4.15Å; L559-V582 HydrophobicContact CD1-CG1 4.31Å; L559-I583 HydrophobicContact CD1-CG1 3.99Å; L559-I583 HydrophobicContact CD2-CG1 4.21Å
560G84.1Confident85Confident72 Ų7249.3 Ų49.374%0.74228%0.277SS*.Hα-helixtrans-63.7-36.2176.100000113.3Y556 H557 G562Y556-G560 PolarHBondContact O-N 2.88Å; H557-G560 PolarHBondContact O-N 3.26Å; G560-G562 VanDerWaalsContact C-N 3.27Å; G560-G562 PolarHBondContact O-N 2.86Å
561T83.3Confident85.1Confident83 Ų8346.3 Ų46.351%0.50926%0.255SS..THydrogen-bonded Turntrans-81.4-3.9175.360.10000113.6H557 Y558 L559 Q563H557-T561 WeakPolarHBondContact O-CG2 3.21Å; H557-T561 PolarHBondContact O-N 2.79Å; H557-T561 VanDerWaalsContact O-N 3.14Å; H557-T561 PolarHBondContact O-OG1 2.81Å; Y558-T561 WeakPolarHBondContact CA-OG1 3.29Å; Y558-T561 PolarHBondContact O-N 3.3Å; Y558-T561 PolarHBondContact O-OG1 3.47Å; L559-T561 VanDerWaalsContact C-N 3.35Å; L559-T561 PolarHBondContact O-N 2.56Å; T561-Q563 VanDerWaalsContact C-N 3.31Å; T561-Q563 PolarHBondContact O-N 3.17Å
562G81.5Confident85.1Confident31 Ų3149.2 Ų49.232%0.3228%0.275SS..THydrogen-bonded Turntrans78.59.1179.600000115Y558 L559 G560 L564Y558-G562 PolarHBondContact O-N 3.22Å; Y558-G562 VanDerWaalsContact O-N 3.15Å; L559-G562 PolarHBondContact O-N 3.07Å; L559-G562 VanDerWaalsContact O-N 3.14Å; G560-G562 VanDerWaalsContact C-N 3.27Å; G560-G562 PolarHBondContact O-N 2.86Å; G562-L564 PolarHBondContact O-N 3.34Å; G562-L564 VanDerWaalsContact O-N 3.11Å
563Q86.9Confident84.7Confident97 Ų9751.3 Ų51.345%0.45328%0.282SS..  trans-85.277.6179.3-67.5-178.9-14.300111Y558 T561 N565 E566 A567Y558-Q563 HydrophobicContact CD1-CB 4.11Å; Y558-Q563 VanDerWaalsContact CD1-OE1 3.28Å; Y558-Q563 PolarHBondContact O-N 3.28Å; T561-Q563 VanDerWaalsContact C-N 3.31Å; T561-Q563 PolarHBondContact O-N 3.17Å; Q563-N565 VanDerWaalsContact C-N 3.34Å; Q563-N565 PolarHBondContact O-N 3Å; Q563-E566 HydrophobicContact CB-CB 4.48Å; Q563-A567 WeakPolarHBondContact O-CB 3.21Å; Q563-A567 PolarHBondContact O-N 2.84Å; Q563-A567 VanDerWaalsContact O-N 3.16Å
564L85.1Confident84.1Confident12 Ų1250.8 Ų50.86%0.06329%0.285CS..Hα-helixtrans-65.8-30-174.1-66.5172.5000114.2L559 G562 Y568 M586 K590 N592 V595L559-L564 HydrophobicContact CD2-CD2 3.74Å; G562-L564 PolarHBondContact O-N 3.34Å; G562-L564 VanDerWaalsContact O-N 3.11Å; L564-Y568 WeakPolarHBondContact O-CB 3.47Å; L564-Y568 PolarHBondContact O-N 3.35Å; L564-M586 HydrophobicContact CD2-CG 4.37Å; L564-K590 HydrophobicContact CD1-CD 4.23Å; L564-N592 HydrophobicContact CD1-CB 3.93Å; L564-V595 HydrophobicContact CB-CG1 4.4Å; L564-V595 HydrophobicContact CB-CG2 4.28Å
565N87.4Confident84.1Confident92 Ų9251.4 Ų51.449%0.49229%0.286SS..Hα-helixtrans-74-42.5-178.8-66.1-22.8000112.1Q563 Y568 H569 V595Q563-N565 VanDerWaalsContact C-N 3.34Å; Q563-N565 PolarHBondContact O-N 3Å; N565-Y568 WeakPolarHBondContact O-CB 3.38Å; N565-Y568 PolarHBondContact O-N 2.98Å; N565-H569 PolarHBondContact O-CD2 3.47Å; N565-H569 PolarHBondContact O-N 2.85Å; N565-V595 WeakPolarHBondContact OD1-CG2 3.34Å
566E85Confident84Confident97 Ų9754.7 Ų54.745%0.45331%0.306SS..Hα-helixtrans-68.1-39.5176.4-61.6-53.8142.800111Y558 Q563 Y568 H569 L570Y558-E566 HydrophobicContact CD1-CB 3.69Å; Y558-E566 HydrophobicContact CD2-CB 4.42Å; Y558-E566 HydrophobicContact CE1-CB 3.69Å; Y558-E566 HydrophobicContact CE1-CG 4.26Å; Y558-E566 HydrophobicContact CE2-CB 4.41Å; Y558-E566 HydrophobicContact CG-CB 4.07Å; Q563-E566 HydrophobicContact CB-CB 4.48Å; E566-Y568 VanDerWaalsContact C-N 3.3Å; E566-Y568 PolarHBondContact O-N 3.05Å; E566-H569 PolarHBondContact O-N 3.32Å; E566-L570 WeakPolarHBondContact O-CB 3.39Å; E566-L570 PolarHBondContact O-N 2.74Å
567A86.8Confident83.8Confident0 Ų054.5 Ų54.50%031%0.313CS..Hα-helixtrans-56.1-46170.700000111.3V555 L559 Q563 A571V555-A567 HydrophobicContact CG1-CB 4.19Å; L559-A567 HydrophobicContact CD2-CB 3.9Å; L559-A567 HydrophobicContact CG-CB 4.15Å; Q563-A567 WeakPolarHBondContact O-CB 3.21Å; Q563-A567 PolarHBondContact O-N 2.84Å; Q563-A567 VanDerWaalsContact O-N 3.16Å; A567-A571 WeakPolarHBondContact O-CB 3.35Å; A567-A571 PolarHBondContact O-N 2.86Å
568Y87.8Confident83.9Confident52 Ų5257.9 Ų57.920%0.20433%0.329CS..Hα-helixtrans-64-47177.2171.4-100.2000112.8L564 N565 E566 L570 A571 C572 W580 C598L564-Y568 WeakPolarHBondContact O-CB 3.47Å; L564-Y568 PolarHBondContact O-N 3.35Å; N565-Y568 WeakPolarHBondContact O-CB 3.38Å; N565-Y568 PolarHBondContact O-N 2.98Å; E566-Y568 VanDerWaalsContact C-N 3.3Å; E566-Y568 PolarHBondContact O-N 3.05Å; Y568-L570 VanDerWaalsContact C-N 3.28Å; Y568-L570 PolarHBondContact O-N 3.43Å; Y568-A571 WeakPolarHBondContact O-CB 3.45Å; Y568-A571 PolarHBondContact O-N 3.38Å; Y568-A571 VanDerWaalsContact O-N 3.12Å; Y568-C572 PolarHBondContact O-N 2.84Å; Y568-C572 VanDerWaalsContact O-N 3.09Å; Y568-C572 PolarHBondContact O-SG 3.12Å; Y568-W580 AromaticContact CD2-CH2 3.77Å; Y568-W580 HydrophobicContact CD2-CH2 3.77Å; Y568-W580 AromaticContact CD2-CZ3 3.7Å; Y568-W580 HydrophobicContact CD2-CZ3 3.7Å; Y568-W580 AromaticContact CE2-CH2 3.74Å; Y568-W580 HydrophobicContact CE2-CH2 3.74Å; Y568-W580 AromaticContact CE2-CZ3 3.87Å; Y568-W580 HydrophobicContact CE2-CZ3 3.87Å; Y568-C598 HydrophobicContact CD2-CB 4.16Å; Y568-C598 HydrophobicContact CE2-CB 3.4Å
569H84.6Confident83.8Confident110 Ų11057.1 Ų57.151%0.50933%0.327SS..Hα-helixtrans-62.4-38179.7-76.6-56.1000112.3N565 E566 F573N565-H569 PolarHBondContact O-CD2 3.47Å; N565-H569 PolarHBondContact O-N 2.85Å; E566-H569 PolarHBondContact O-N 3.32Å; H569-F573 WeakPolarHBondContact O-CD2 2.93Å; H569-F573 WeakPolarHBondContact O-CE2 3.47Å
570L83.7Confident84Confident3 Ų357.2 Ų57.22%0.01633%0.326CS..Hα-helixtrans-71-36.7174.1-168.466.8000111.7L501 L551 A554 V555 Y558 E566 Y568 C572 F573L501-L570 HydrophobicContact CD1-CD1 4.1Å; L551-L570 HydrophobicContact CD1-CD1 4.29Å; A554-L570 HydrophobicContact CB-CD2 3.5Å; A554-L570 VanDerWaalsContact CB-CD2 3.5Å; V555-L570 HydrophobicContact CG2-CB 4.04Å; V555-L570 HydrophobicContact CG2-CD2 3.72Å; V555-L570 HydrophobicContact CG2-CG 3.9Å; Y558-L570 HydrophobicContact CD2-CD2 4.19Å; Y558-L570 HydrophobicContact CE2-CD2 4.06Å; E566-L570 WeakPolarHBondContact O-CB 3.39Å; E566-L570 PolarHBondContact O-N 2.74Å; Y568-L570 VanDerWaalsContact C-N 3.28Å; Y568-L570 PolarHBondContact O-N 3.43Å; L570-C572 VanDerWaalsContact C-N 3.29Å; L570-C572 PolarHBondContact O-N 3.21Å; L570-F573 HydrophobicContact CD1-CD2 4.38Å; L570-F573 PolarHBondContact O-N 3.42Å
571A84.8Confident84.2Confident1 Ų158.7 Ų58.71%0.00831%0.312CS..Hα-helixtrans-60.4-35.5177.800000113.4A567 Y568 F573 G574 L575 W580 I583A567-A571 WeakPolarHBondContact O-CB 3.35Å; A567-A571 PolarHBondContact O-N 2.86Å; Y568-A571 WeakPolarHBondContact O-CB 3.45Å; Y568-A571 PolarHBondContact O-N 3.38Å; Y568-A571 VanDerWaalsContact O-N 3.12Å; A571-F573 PolarHBondContact O-N 2.9Å; A571-G574 PolarHBondContact O-N 3.44Å; A571-L575 HydrophobicContact CB-CD1 3.28Å; A571-L575 HydrophobicContact CB-CG 4.04Å; A571-W580 HydrophobicContact CB-CH2 3.57Å; A571-W580 HydrophobicContact CB-CZ2 3.67Å; A571-W580 HydrophobicContact CB-CZ3 4.11Å; A571-I583 HydrophobicContact CB-CD1 3.78Å
572C83.3Confident84.5Confident65 Ų6557.3 Ų57.344%0.43930%0.304SS..THydrogen-bonded Turntrans-59.8-16.4178.5-69.80000114.6Y568 L570 G574Y568-C572 PolarHBondContact O-N 2.84Å; Y568-C572 VanDerWaalsContact O-N 3.09Å; Y568-C572 PolarHBondContact O-SG 3.12Å; L570-C572 VanDerWaalsContact C-N 3.29Å; L570-C572 PolarHBondContact O-N 3.21Å; C572-G574 VanDerWaalsContact C-N 3.34Å
573F74.8Confident84.9Confident63 Ų6355.9 Ų55.928%0.27629%0.289SS..THydrogen-bonded Turntrans-83.7-8.6177.2-64.6-66.5000114T497 N498 L551 H569 L570 A571T497-F573 HydrophobicContact CG2-CE1 4.37Å; N498-F573 HydrophobicContact CB-CE2 4.4Å; L551-F573 HydrophobicContact CD1-CB 3.66Å; H569-F573 WeakPolarHBondContact O-CD2 2.93Å; H569-F573 WeakPolarHBondContact O-CE2 3.47Å; L570-F573 HydrophobicContact CD1-CD2 4.38Å; L570-F573 PolarHBondContact O-N 3.42Å; A571-F573 PolarHBondContact O-N 2.9Å
574G72.2Confident85.1Confident35 Ų3551.3 Ų51.336%0.36127%0.267SS..  trans132.9111.5176.500000111.9A571 C572A571-G574 PolarHBondContact O-N 3.44Å; C572-G574 VanDerWaalsContact C-N 3.34Å
575L80.9Confident85.3Confident28 Ų2856.1 Ų56.115%0.14729%0.285CS..  trans-139.1168.7171.9-74.3-175.1000109.7L551 V555 A571 D579 I583L551-L575 HydrophobicContact CB-CD2 4.47Å; V555-L575 HydrophobicContact CB-CD1 4.25Å; V555-L575 HydrophobicContact CG1-CD1 3.92Å; V555-L575 HydrophobicContact CG2-CD1 3.91Å; V555-L575 HydrophobicContact CG2-CD2 4.1Å; V555-L575 HydrophobicContact CG2-CG 4.42Å; A571-L575 HydrophobicContact CB-CD1 3.28Å; A571-L575 HydrophobicContact CB-CG 4.04Å; L575-D579 HydrophobicContact CB-CB 4.02Å; L575-D579 HydrophobicContact CD1-CB 3.92Å; L575-D579 HydrophobicContact CG-CB 4.42Å; L575-I583 HydrophobicContact CD1-CD1 3.84Å
576T83.7Confident85.3Confident72 Ų7255.2 Ų55.244%0.44228%0.278SS..  trans-80.5158.7175.672.10000112Q578 D579 W580T576-Q578 PolarHBondContact O-N 3.3Å; T576-D579 WeakPolarHBondContact CB-OD2 3.25Å; T576-D579 PolarHBondContact N-OD2 2.92Å; T576-D579 VanDerWaalsContact N-OD2 3.09Å; T576-D579 WeakPolarHBondContact O-CB 3.47Å; T576-D579 PolarHBondContact O-N 3.14Å; T576-D579 PolarHBondContact OG1-N 3.15Å; T576-D579 PolarHBondContact OG1-OD2 3.47Å; T576-W580 PolarHBondContact O-N 3.26Å
577D84.8Confident85.5Confident108 Ų10850.6 Ų50.658%0.57826%0.256SS*.Hα-helixtrans-58.6-30.9174.3-61.3-5.9000112.4W580 K581 L603D577-W580 PolarHBondContact O-N 3.3Å; D577-K581 WeakPolarHBondContact O-CB 3.5Å; D577-K581 WeakPolarHBondContact O-CG 3.43Å; D577-K581 PolarHBondContact O-N 3.05Å; D577-L603 HydrophobicContact CB-CD2 3.85Å; D577-L603 WeakPolarHBondContact O-CD2 3.31Å
578Q87.3Confident85.5Confident151 Ų15150.6 Ų50.671%0.70626%0.256SS*.Hα-helixtrans-65.9-43.3175.3-66.8-171.7-1.800111T576 W580 K581 V582T576-Q578 PolarHBondContact O-N 3.3Å; Q578-W580 VanDerWaalsContact C-N 3.35Å; Q578-K581 WeakPolarHBondContact O-CB 3.33Å; Q578-K581 PolarHBondContact O-N 2.87Å; Q578-V582 WeakPolarHBondContact O-CG2 2.9Å; Q578-V582 PolarHBondContact O-N 3.48Å
579D86.1Confident85.3Confident13 Ų1352.6 Ų52.67%0.0727%0.271CS..Hα-helixtrans-63.5-42.5176.7-57.6-51.9000110.8Y556 L575 T576 K581 V582 I583Y556-D579 WeakPolarHBondContact CE2-OD1 3.19Å; Y556-D579 PolarHBondContact OH-OD1 2.98Å; L575-D579 HydrophobicContact CB-CB 4.02Å; L575-D579 HydrophobicContact CD1-CB 3.92Å; L575-D579 HydrophobicContact CG-CB 4.42Å; T576-D579 WeakPolarHBondContact CB-OD2 3.25Å; T576-D579 PolarHBondContact N-OD2 2.92Å; T576-D579 VanDerWaalsContact N-OD2 3.09Å; T576-D579 WeakPolarHBondContact O-CB 3.47Å; T576-D579 PolarHBondContact O-N 3.14Å; T576-D579 PolarHBondContact OG1-N 3.15Å; T576-D579 PolarHBondContact OG1-OD2 3.47Å; D579-K581 VanDerWaalsContact C-N 3.34Å; D579-K581 PolarHBondContact O-N 2.83Å; D579-V582 WeakPolarHBondContact O-CB 3.35Å; D579-V582 PolarHBondContact O-N 3.27Å; D579-V582 VanDerWaalsContact O-N 3.13Å; D579-I583 WeakPolarHBondContact O-CG1 3.19Å; D579-I583 PolarHBondContact O-N 2.83Å
580W90.5Very high85.3Confident16 Ų1652 Ų526%0.06127%0.267CS..Hα-helixtrans-61.1-40.4174.4-80.7116.7000112.6Y568 A571 T576 D577 Q578 V582 I583 G584 A599 Q602 L603Y568-W580 AromaticContact CD2-CH2 3.77Å; Y568-W580 HydrophobicContact CD2-CH2 3.77Å; Y568-W580 AromaticContact CD2-CZ3 3.7Å; Y568-W580 HydrophobicContact CD2-CZ3 3.7Å; Y568-W580 AromaticContact CE2-CH2 3.74Å; Y568-W580 HydrophobicContact CE2-CH2 3.74Å; Y568-W580 AromaticContact CE2-CZ3 3.87Å; Y568-W580 HydrophobicContact CE2-CZ3 3.87Å; A571-W580 HydrophobicContact CB-CH2 3.57Å; A571-W580 HydrophobicContact CB-CZ2 3.67Å; A571-W580 HydrophobicContact CB-CZ3 4.11Å; T576-W580 PolarHBondContact O-N 3.26Å; D577-W580 PolarHBondContact O-N 3.3Å; Q578-W580 VanDerWaalsContact C-N 3.35Å; W580-V582 VanDerWaalsContact C-N 3.31Å; W580-V582 PolarHBondContact O-N 3.48Å; W580-I583 HydrophobicContact CE3-CD1 4.11Å; W580-I583 HydrophobicContact CZ3-CD1 4.37Å; W580-I583 PolarHBondContact O-N 2.69Å; W580-G584 PolarHBondContact O-N 3.29Å; W580-A599 HydrophobicContact CE3-CB 3.75Å; W580-A599 HydrophobicContact CZ3-CB 4.08Å; W580-Q602 HydrophobicContact CD2-CB 4.15Å; W580-Q602 HydrophobicContact CE3-CB 4.49Å; W580-Q602 HydrophobicContact CH2-CG 4.27Å; W580-Q602 HydrophobicContact CZ2-CB 4.37Å; W580-Q602 HydrophobicContact CZ2-CG 4.05Å; W580-L603 HydrophobicContact CB-CD1 4.09Å; W580-L603 HydrophobicContact CB-CD2 3.73Å; W580-L603 HydrophobicContact CB-CG 3.84Å
581K88.7Confident85.3Confident104 Ų10453 Ų5345%0.45227%0.272SS..Hα-helixtrans-62.4-39.3173.3-77175.5-177.4177.90111.5D577 Q578 D579 G584 R585 L603D577-K581 WeakPolarHBondContact O-CB 3.5Å; D577-K581 WeakPolarHBondContact O-CG 3.43Å; D577-K581 PolarHBondContact O-N 3.05Å; Q578-K581 WeakPolarHBondContact O-CB 3.33Å; Q578-K581 PolarHBondContact O-N 2.87Å; D579-K581 VanDerWaalsContact C-N 3.34Å; D579-K581 PolarHBondContact O-N 2.83Å; K581-G584 PolarHBondContact O-N 3.49Å; K581-R585 VanDerWaalsContact O-CB 3.29Å; K581-R585 WeakPolarHBondContact O-CB 3.21Å; K581-R585 WeakPolarHBondContact O-CG 3.47Å; K581-R585 PolarHBondContact O-N 3.2Å; K581-L603 HydrophobicContact CB-CD1 4.37Å; K581-L603 HydrophobicContact CG-CD1 3.58Å; K581-L603 HydrophobicContact CG-CD2 4.11Å
582V88.9Confident85.4Confident54 Ų5455.2 Ų55.233%0.32728%0.284SS..Hα-helixtrans-66.4-45.1176.4173.60000110.9Y556 L559 Q578 D579 W580 M586Y556-V582 HydrophobicContact CE1-CG1 4.3Å; L559-V582 HydrophobicContact CD1-CG1 4.31Å; Q578-V582 WeakPolarHBondContact O-CG2 2.9Å; Q578-V582 PolarHBondContact O-N 3.48Å; D579-V582 WeakPolarHBondContact O-CB 3.35Å; D579-V582 PolarHBondContact O-N 3.27Å; D579-V582 VanDerWaalsContact O-N 3.13Å; W580-V582 VanDerWaalsContact C-N 3.31Å; W580-V582 PolarHBondContact O-N 3.48Å; V582-M586 VanDerWaalsContact O-CB 3.24Å; V582-M586 WeakPolarHBondContact O-CB 3.37Å; V582-M586 PolarHBondContact O-N 2.89Å
583I90.1Very high85.7Confident1 Ų153 Ų531%0.00527%0.267CS..Hα-helixtrans-59.1-48.7174.8-65.3166.5000110V555 L559 A571 L575 D579 W580 M586 A587 V595 A599V555-I583 HydrophobicContact CG1-CD1 4.03Å; V555-I583 HydrophobicContact CG1-CG1 4.47Å; L559-I583 HydrophobicContact CD1-CG1 3.99Å; L559-I583 HydrophobicContact CD2-CG1 4.21Å; A571-I583 HydrophobicContact CB-CD1 3.78Å; L575-I583 HydrophobicContact CD1-CD1 3.84Å; D579-I583 WeakPolarHBondContact O-CG1 3.19Å; D579-I583 PolarHBondContact O-N 2.83Å; W580-I583 HydrophobicContact CE3-CD1 4.11Å; W580-I583 HydrophobicContact CZ3-CD1 4.37Å; W580-I583 PolarHBondContact O-N 2.69Å; I583-M586 PolarHBondContact O-N 3.24Å; I583-A587 WeakPolarHBondContact O-CB 3.42Å; I583-A587 PolarHBondContact O-N 3.32Å; I583-V595 HydrophobicContact CG2-CG1 3.95Å; I583-A599 HydrophobicContact CG2-CB 4.16Å
584G90.2Very high86.4Confident0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-61.2-48.2-179.800000112.7W580 K581 A587 L588W580-G584 PolarHBondContact O-N 3.29Å; K581-G584 PolarHBondContact O-N 3.49Å; G584-A587 PolarHBondContact O-N 3.36Å; G584-L588 WeakPolarHBondContact O-CG 3.31Å; G584-L588 PolarHBondContact O-N 3.47Å
585R89.1Confident87.3Confident114 Ų11456.1 Ų56.143%0.4327%0.271SS..Hα-helixtrans-62.4-46.1176-74174.6178.6-164.4-4112.2K581 A587 L588 N589 L647K581-R585 VanDerWaalsContact O-CB 3.29Å; K581-R585 WeakPolarHBondContact O-CB 3.21Å; K581-R585 WeakPolarHBondContact O-CG 3.47Å; K581-R585 PolarHBondContact O-N 3.2Å; R585-A587 VanDerWaalsContact C-N 3.3Å; R585-A587 PolarHBondContact O-N 3.22Å; R585-L588 PolarHBondContact O-N 3.31Å; R585-N589 WeakPolarHBondContact O-CB 3.25Å; R585-N589 VanDerWaalsContact O-CG 3.29Å; R585-N589 PolarHBondContact O-N 2.92Å; R585-L647 HydrophobicContact CG-CD2 4.44Å
586M87.2Confident87.7Confident72 Ų7254.8 Ų54.836%0.35526%0.264SS..Hα-helixtrans-64.7-38.1179-170.465.773.200111.4L564 V582 I583 K590L564-M586 HydrophobicContact CD2-CG 4.37Å; V582-M586 VanDerWaalsContact O-CB 3.24Å; V582-M586 WeakPolarHBondContact O-CB 3.37Å; V582-M586 PolarHBondContact O-N 2.89Å; I583-M586 PolarHBondContact O-N 3.24Å; M586-K590 WeakPolarHBondContact O-CB 3.43Å; M586-K590 WeakPolarHBondContact O-CG 3.46Å; M586-K590 PolarHBondContact O-N 2.98Å; M586-K590 VanDerWaalsContact O-N 3.07Å
587A90Very high88.2Confident0 Ų055 Ų550%026%0.259CS..Hα-helixtrans-65.8-42.317500000111.8I583 G584 R585 K590 L591 N592 V595 A596I583-A587 WeakPolarHBondContact O-CB 3.42Å; I583-A587 PolarHBondContact O-N 3.32Å; G584-A587 PolarHBondContact O-N 3.36Å; R585-A587 VanDerWaalsContact C-N 3.3Å; R585-A587 PolarHBondContact O-N 3.22Å; A587-K590 CarbonylContact O-C 3.49Å; A587-K590 PolarHBondContact O-N 3.45Å; A587-L591 PolarHBondContact O-N 3.11Å; A587-N592 PolarHBondContact O-N 2.85Å; A587-V595 HydrophobicContact CB-CB 4.13Å; A587-V595 HydrophobicContact CB-CG1 4.13Å; A587-A596 HydrophobicContact CB-CB 3.8Å
588L87.6Confident88.5Confident0 Ų051.4 Ų51.40%024%0.242CC..Hα-helixtrans-64.8-44.6175.1-74.9174000112.7G584 R585 K590 L591 L593 A596 Y600 M608 I612G584-L588 WeakPolarHBondContact O-CG 3.31Å; G584-L588 PolarHBondContact O-N 3.47Å; R585-L588 PolarHBondContact O-N 3.31Å; L588-K590 PolarHBondContact O-N 3.39Å; L588-L591 WeakPolarHBondContact O-CA 3.43Å; L588-L591 PolarHBondContact O-N 3.38Å; L588-L593 HydrophobicContact CD2-CD2 4.45Å; L588-A596 HydrophobicContact CD2-CB 3.73Å; L588-A596 HydrophobicContact CG-CB 3.8Å; L588-Y600 HydrophobicContact CD1-CD2 4.46Å; L588-Y600 HydrophobicContact CD1-CE2 3.52Å; L588-Y600 HydrophobicContact CG-CE2 4.16Å; L588-M608 HydrophobicContact CD1-CE 3.45Å; L588-M608 VanDerWaalsContact CD1-CE 3.45Å; L588-I612 HydrophobicContact CD2-CD1 4.17Å; L588-I612 HydrophobicContact CD2-CG1 3.93Å
589N83.7Confident88.7Confident94 Ų9444.2 Ų44.250%0.50321%0.209SC..Hα-helixtrans-63.2-32.5178-73.1-8.4000112R585 L591R585-N589 WeakPolarHBondContact O-CB 3.25Å; R585-N589 VanDerWaalsContact O-CG 3.29Å; R585-N589 PolarHBondContact O-N 2.92Å; N589-L591 VanDerWaalsContact C-N 3.29Å
590K83.1Confident88.9Confident99 Ų9943.9 Ų43.943%0.4321%0.206SC..THydrogen-bonded Turntrans-87.24.7172-68.7-173.6175.9-178.30113.4L564 M586 A587 L588 N592L564-K590 HydrophobicContact CD1-CD 4.23Å; M586-K590 WeakPolarHBondContact O-CB 3.43Å; M586-K590 WeakPolarHBondContact O-CG 3.46Å; M586-K590 PolarHBondContact O-N 2.98Å; M586-K590 VanDerWaalsContact O-N 3.07Å; A587-K590 CarbonylContact O-C 3.49Å; A587-K590 PolarHBondContact O-N 3.45Å; L588-K590 PolarHBondContact O-N 3.39Å; K590-N592 PolarHBondContact O-N 3.47Å; K590-N592 VanDerWaalsContact O-N 3.12Å
591L84Confident88.9Confident24 Ų2447.1 Ų47.113%0.12622%0.224CC..THydrogen-bonded Turntrans52.328.9-177.4-67165.9000113.9A587 L588 N589 L593 W624 L629 I639 I643A587-L591 PolarHBondContact O-N 3.11Å; L588-L591 WeakPolarHBondContact O-CA 3.43Å; L588-L591 PolarHBondContact O-N 3.38Å; N589-L591 VanDerWaalsContact C-N 3.29Å; L591-L593 VanDerWaalsContact C-N 3.34Å; L591-L593 PolarHBondContact O-N 3.22Å; L591-L593 VanDerWaalsContact O-N 3.13Å; L591-W624 HydrophobicContact CD2-CZ2 4.37Å; L591-L629 HydrophobicContact CB-CD1 3.99Å; L591-L629 HydrophobicContact CD1-CD1 3.36Å; L591-L629 HydrophobicContact CD1-CD2 4.29Å; L591-L629 HydrophobicContact CD1-CG 3.79Å; L591-L629 HydrophobicContact CG-CD1 4.28Å; L591-I639 HydrophobicContact CD2-CG2 4.42Å; L591-I643 HydrophobicContact CD2-CD1 3.89Å
592N87.9Confident88.8Confident47 Ų4747.3 Ų47.325%0.25123%0.226SC..  trans-83.580.7168.5-173.5-15.3000109.5L564 A587 K590 K594 V595 A596L564-N592 HydrophobicContact CD1-CB 3.93Å; A587-N592 PolarHBondContact O-N 2.85Å; K590-N592 PolarHBondContact O-N 3.47Å; K590-N592 VanDerWaalsContact O-N 3.12Å; N592-K594 PolarHBondContact O-N 2.86Å; N592-K594 PolarHBondContact OD1-N 3.31Å; N592-V595 PolarHBondContact O-N 3.37Å; N592-V595 PolarHBondContact OD1-N 3.49Å; N592-A596 WeakPolarHBondContact O-CB 3.48Å; N592-A596 PolarHBondContact O-N 3.13Å; N592-A596 VanDerWaalsContact O-N 3.09Å
593L88.1Confident88.7Confident18 Ų1846.2 Ų46.29%0.09422%0.218CC..Hα-helixtrans-60.5-30.6-175.1-58180000112.9L588 L591 K597 L615 E616 W624L588-L593 HydrophobicContact CD2-CD2 4.45Å; L591-L593 VanDerWaalsContact C-N 3.34Å; L591-L593 PolarHBondContact O-N 3.22Å; L591-L593 VanDerWaalsContact O-N 3.13Å; L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 PolarHBondContact O-N 3.46Å; L593-L615 HydrophobicContact CD2-CB 4.33Å; L593-L615 HydrophobicContact CD2-CD1 4.44Å; L593-E616 HydrophobicContact CB-CG 4.33Å; L593-E616 HydrophobicContact CD1-CG 3.92Å; L593-W624 HydrophobicContact CD1-CZ2 4.37Å
594K90.1Very high88.6Confident160 Ų16052.6 Ų52.670%0.69625%0.253SS*.Hα-helixtrans-66.4-51-179.2-172.7179.5180-177.80112N592 K597 C598N592-K594 PolarHBondContact O-N 2.86Å; N592-K594 PolarHBondContact OD1-N 3.31Å; K594-K597 PolarHBondContact O-N 3.24Å; K594-C598 PolarHBondContact O-N 2.87Å; K594-C598 VanDerWaalsContact O-N 3.11Å; K594-C598 PolarHBondContact O-SG 3.2Å
595V90.4Very high88.6Confident4 Ų455.3 Ų55.32%0.02427%0.267CS..Hα-helixtrans-69.8-37.6178.9177.80000110.5L564 N565 I583 A587 N592 C598 A599L564-V595 HydrophobicContact CB-CG1 4.4Å; L564-V595 HydrophobicContact CB-CG2 4.28Å; N565-V595 WeakPolarHBondContact OD1-CG2 3.34Å; I583-V595 HydrophobicContact CG2-CG1 3.95Å; A587-V595 HydrophobicContact CB-CB 4.13Å; A587-V595 HydrophobicContact CB-CG1 4.13Å; N592-V595 PolarHBondContact O-N 3.37Å; N592-V595 PolarHBondContact OD1-N 3.49Å; V595-C598 PolarHBondContact O-N 3.47Å; V595-A599 WeakPolarHBondContact O-CB 3.46Å; V595-A599 PolarHBondContact O-N 3.39Å
596A91.3Very high88.6Confident0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-58.1-49.8174.200000111.3A587 L588 N592 C598 A599 Y600 I612A587-A596 HydrophobicContact CB-CB 3.8Å; L588-A596 HydrophobicContact CD2-CB 3.73Å; L588-A596 HydrophobicContact CG-CB 3.8Å; N592-A596 WeakPolarHBondContact O-CB 3.48Å; N592-A596 PolarHBondContact O-N 3.13Å; N592-A596 VanDerWaalsContact O-N 3.09Å; A596-C598 PolarHBondContact O-N 3Å; A596-A599 PolarHBondContact O-N 2.87Å; A596-Y600 WeakPolarHBondContact O-CD2 3.49Å; A596-Y600 PolarHBondContact O-N 2.93Å; A596-I612 HydrophobicContact CB-CD1 4.25Å
597K92.3Very high88.6Confident75 Ų7558.7 Ų58.733%0.32629%0.293SS..Hα-helixtrans-57.3-49.6177.7-172.3174.1-169.1163.60111.7L593 K594 A599 Y600 I601 L609 I612 E616L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 PolarHBondContact O-N 3.46Å; K594-K597 PolarHBondContact O-N 3.24Å; K597-A599 VanDerWaalsContact C-N 3.3Å; K597-A599 PolarHBondContact O-N 3.18Å; K597-Y600 PolarHBondContact O-N 3.21Å; K597-I601 HydrophobicContact CG-CD1 4.1Å; K597-I601 VanDerWaalsContact O-CG1 3.25Å; K597-I601 WeakPolarHBondContact O-CG1 3.38Å; K597-I601 PolarHBondContact O-N 3.19Å; K597-L609 HydrophobicContact CG-CD2 4.19Å; K597-I612 HydrophobicContact CB-CG2 4.16Å; K597-E616 IonicContact NZ-OE1 3.89Å; K597-E616 PolarHBondContact NZ-OE1 3.41Å; K597-E616 IonicContact NZ-OE2 3.32Å; K597-E616 PolarHBondContact NZ-OE2 3Å
598C91.9Very high88.6Confident34 Ų3459.1 Ų59.123%0.2330%0.295CS..Hα-helixtrans-62-37.6178.1-63.50000112.7Y568 K594 V595 A596 Q602Y568-C598 HydrophobicContact CD2-CB 4.16Å; Y568-C598 HydrophobicContact CE2-CB 3.4Å; K594-C598 PolarHBondContact O-N 2.87Å; K594-C598 VanDerWaalsContact O-N 3.11Å; K594-C598 PolarHBondContact O-SG 3.2Å; V595-C598 PolarHBondContact O-N 3.47Å; A596-C598 PolarHBondContact O-N 3Å; C598-Q602 PolarHBondContact O-N 3.06Å
599A91.2Very high88.7Confident0 Ų061.2 Ų61.20%031%0.306CS..Hα-helixtrans-66.3-43.9177.400000112.3W580 I583 V595 A596 K597 Q602 L603W580-A599 HydrophobicContact CE3-CB 3.75Å; W580-A599 HydrophobicContact CZ3-CB 4.08Å; I583-A599 HydrophobicContact CG2-CB 4.16Å; V595-A599 WeakPolarHBondContact O-CB 3.46Å; V595-A599 PolarHBondContact O-N 3.39Å; A596-A599 PolarHBondContact O-N 2.87Å; K597-A599 VanDerWaalsContact C-N 3.3Å; K597-A599 PolarHBondContact O-N 3.18Å; A599-Q602 PolarHBondContact O-N 2.79Å; A599-L603 PolarHBondContact O-N 2.98Å
600Y91.5Very high89Confident6 Ų659.7 Ų59.72%0.02430%0.301CS..Hα-helixtrans-77-20.6178.6-73.6-73.4000113.7L588 A596 K597 Q602 L603 D604 D605 M608 I612L588-Y600 HydrophobicContact CD1-CD2 4.46Å; L588-Y600 HydrophobicContact CD1-CE2 3.52Å; L588-Y600 HydrophobicContact CG-CE2 4.16Å; A596-Y600 WeakPolarHBondContact O-CD2 3.49Å; A596-Y600 PolarHBondContact O-N 2.93Å; K597-Y600 PolarHBondContact O-N 3.21Å; Y600-Q602 VanDerWaalsContact C-N 3.32Å; Y600-L603 HydrophobicContact CD1-CD1 3.74Å; Y600-L603 HydrophobicContact CE1-CD1 3.96Å; Y600-L603 PolarHBondContact O-N 3.15Å; Y600-D604 PolarHBondContact O-N 3.3Å; Y600-D605 HydrophobicContact CD1-CB 4.06Å; Y600-D605 PolarHBondContact O-N 3.07Å; Y600-M608 HydrophobicContact CD1-CB 3.93Å; Y600-M608 HydrophobicContact CD1-CG 4.23Å; Y600-M608 HydrophobicContact CE1-CB 4.29Å; Y600-M608 HydrophobicContact CE1-CG 4.1Å; Y600-M608 HydrophobicContact CE2-CE 4.29Å; Y600-M608 HydrophobicContact CG-CB 4.12Å; Y600-I612 HydrophobicContact CD2-CD1 3.66Å; Y600-I612 HydrophobicContact CE2-CD1 4.38Å; Y600-I612 HydrophobicContact CG-CD1 4.33Å
601I90.6Very high89.4Confident83 Ų8355 Ų5543%0.42628%0.28SS..Hα-helixtrans-62.2-43.6164.9-72.8166.7000109.6K597 L603 D604 L609K597-I601 HydrophobicContact CG-CD1 4.1Å; K597-I601 VanDerWaalsContact O-CG1 3.25Å; K597-I601 WeakPolarHBondContact O-CG1 3.38Å; K597-I601 PolarHBondContact O-N 3.19Å; I601-L603 PolarHBondContact O-N 3.27Å; I601-D604 PolarHBondContact O-N 3.15Å; I601-L609 HydrophobicContact CG1-CD1 4.15Å; I601-L609 HydrophobicContact CG1-CD2 3.74Å
602Q85.2Confident89.8Confident108 Ų10854 Ų5451%0.50528%0.275SS..Hα-helixtrans-70.6-16.7177.6-75-58.75.500114.8W580 C598 A599 Y600W580-Q602 HydrophobicContact CD2-CB 4.15Å; W580-Q602 HydrophobicContact CE3-CB 4.49Å; W580-Q602 HydrophobicContact CH2-CG 4.27Å; W580-Q602 HydrophobicContact CZ2-CB 4.37Å; W580-Q602 HydrophobicContact CZ2-CG 4.05Å; C598-Q602 PolarHBondContact O-N 3.06Å; A599-Q602 PolarHBondContact O-N 2.79Å; Y600-Q602 VanDerWaalsContact C-N 3.32Å
603L87.2Confident90Very high31 Ų3156.7 Ų56.716%0.16229%0.286CS..THydrogen-bonded Turntrans-92.6-3.6175.3-69.4168.6000113.2D577 W580 K581 A599 Y600 I601 D605D577-L603 HydrophobicContact CB-CD2 3.85Å; D577-L603 WeakPolarHBondContact O-CD2 3.31Å; W580-L603 HydrophobicContact CB-CD1 4.09Å; W580-L603 HydrophobicContact CB-CD2 3.73Å; W580-L603 HydrophobicContact CB-CG 3.84Å; K581-L603 HydrophobicContact CB-CD1 4.37Å; K581-L603 HydrophobicContact CG-CD1 3.58Å; K581-L603 HydrophobicContact CG-CD2 4.11Å; A599-L603 PolarHBondContact O-N 2.98Å; Y600-L603 HydrophobicContact CD1-CD1 3.74Å; Y600-L603 HydrophobicContact CE1-CD1 3.96Å; Y600-L603 PolarHBondContact O-N 3.15Å; I601-L603 PolarHBondContact O-N 3.27Å; L603-D605 PolarHBondContact O-N 3.18Å; L603-D605 VanDerWaalsContact O-N 3.15Å
604D88.6Confident90.1Very high136 Ų13659.5 Ų59.573%0.72730%0.299SS*.THydrogen-bonded Turntrans50.832-172.5-69-35.3000114.1Y600 I601 I606Y600-D604 PolarHBondContact O-N 3.3Å; I601-D604 PolarHBondContact O-N 3.15Å; D604-I606 PolarHBondContact O-N 3.41Å; D604-I606 VanDerWaalsContact O-N 3.14Å
605D89.7Confident90Very high56 Ų5651.9 Ų51.930%0.29927%0.266SS..  trans-86.486.5180-167.8-25.4000111.1Y600 L603 L607 M608 L609Y600-D605 HydrophobicContact CD1-CB 4.06Å; Y600-D605 PolarHBondContact O-N 3.07Å; L603-D605 PolarHBondContact O-N 3.18Å; L603-D605 VanDerWaalsContact O-N 3.15Å; D605-L607 VanDerWaalsContact C-N 3.28Å; D605-L607 PolarHBondContact O-N 3.48Å; D605-L607 PolarHBondContact OD1-N 3.39Å; D605-M608 HydrophobicContact CB-CB 4.11Å; D605-M608 PolarHBondContact O-N 2.81Å; D605-M608 PolarHBondContact OD1-N 3.48Å; D605-M608 WeakPolarHBondContact OD2-CG 3.37Å; D605-L609 VanDerWaalsContact O-CG 3.28Å; D605-L609 WeakPolarHBondContact O-CG 3.22Å; D605-L609 PolarHBondContact O-N 2.95Å
606I88.6Confident89.9Confident127 Ų12753.8 Ų53.865%0.65127%0.274SS*.Hα-helixtrans-58.8-39.9-176.3-55.1171000111.6D604 L609 T610D604-I606 PolarHBondContact O-N 3.41Å; D604-I606 VanDerWaalsContact O-N 3.14Å; I606-L609 PolarHBondContact O-N 3.36Å; I606-T610 WeakPolarHBondContact O-CG2 3.46Å; I606-T610 PolarHBondContact O-N 2.87Å; I606-T610 PolarHBondContact O-OG1 2.89Å
607L88.4Confident89.8Confident130 Ų13057.8 Ų57.868%0.68129%0.293SS*.Hα-helixtrans-65.4-47.1-178.5-67.1173.8000110.2D605 L609 T610 F611D605-L607 VanDerWaalsContact C-N 3.28Å; D605-L607 PolarHBondContact O-N 3.48Å; D605-L607 PolarHBondContact OD1-N 3.39Å; L607-L609 VanDerWaalsContact C-N 3.31Å; L607-L609 PolarHBondContact O-N 2.82Å; L607-T610 PolarHBondContact O-N 2.95Å; L607-T610 PolarHBondContact O-OG1 3.07Å; L607-F611 PolarHBondContact O-N 2.85Å
608M88.6Confident89.5Confident10 Ų1057.1 Ų57.15%0.04929%0.288CS..Hα-helixtrans-64-35.8175.5-81.8-57.5-47.800112.8L588 Y600 D605 F611 I612 L647L588-M608 HydrophobicContact CD1-CE 3.45Å; L588-M608 VanDerWaalsContact CD1-CE 3.45Å; Y600-M608 HydrophobicContact CD1-CB 3.93Å; Y600-M608 HydrophobicContact CD1-CG 4.23Å; Y600-M608 HydrophobicContact CE1-CB 4.29Å; Y600-M608 HydrophobicContact CE1-CG 4.1Å; Y600-M608 HydrophobicContact CE2-CE 4.29Å; Y600-M608 HydrophobicContact CG-CB 4.12Å; D605-M608 HydrophobicContact CB-CB 4.11Å; D605-M608 PolarHBondContact O-N 2.81Å; D605-M608 PolarHBondContact OD1-N 3.48Å; D605-M608 WeakPolarHBondContact OD2-CG 3.37Å; M608-F611 HydrophobicContact CE-CD1 3.93Å; M608-F611 PolarHBondContact O-N 3.12Å; M608-F611 HydrophobicContact SD-CD1 4.33Å; M608-I612 HydrophobicContact CE-CD1 4.34Å; M608-I612 HydrophobicContact CE-CG1 4.3Å; M608-I612 WeakPolarHBondContact O-CB 3.25Å; M608-I612 WeakPolarHBondContact O-CG1 3.19Å; M608-I612 PolarHBondContact O-N 2.89Å; M608-L647 HydrophobicContact SD-CD2 4.43Å
609L90.6Very high89.2Confident43 Ų4359.7 Ų59.723%0.22529%0.294CS..Hα-helixtrans-66.1-43.3177.2-71.1169.6000112.5K597 I601 D605 I606 L607 F611 I612 Q613K597-L609 HydrophobicContact CG-CD2 4.19Å; I601-L609 HydrophobicContact CG1-CD1 4.15Å; I601-L609 HydrophobicContact CG1-CD2 3.74Å; D605-L609 VanDerWaalsContact O-CG 3.28Å; D605-L609 WeakPolarHBondContact O-CG 3.22Å; D605-L609 PolarHBondContact O-N 2.95Å; I606-L609 PolarHBondContact O-N 3.36Å; L607-L609 VanDerWaalsContact C-N 3.31Å; L607-L609 PolarHBondContact O-N 2.82Å; L609-F611 VanDerWaalsContact C-N 3.3Å; L609-F611 PolarHBondContact O-N 2.99Å; L609-I612 PolarHBondContact O-N 3.42Å; L609-Q613 WeakPolarHBondContact O-CB 3.37Å; L609-Q613 PolarHBondContact O-N 3.07Å
610T90.8Very high88.9Confident63 Ų6367.8 Ų67.839%0.38733%0.329SS..Hα-helixtrans-63.1-38.8174.756.50000111.5I606 L607 Q613 Q614I606-T610 WeakPolarHBondContact O-CG2 3.46Å; I606-T610 PolarHBondContact O-N 2.87Å; I606-T610 PolarHBondContact O-OG1 2.89Å; L607-T610 PolarHBondContact O-N 2.95Å; L607-T610 PolarHBondContact O-OG1 3.07Å; T610-Q613 WeakPolarHBondContact O-CB 3.49Å; T610-Q613 PolarHBondContact O-N 3.46Å; T610-Q614 WeakPolarHBondContact O-CG 3.43Å; T610-Q614 PolarHBondContact O-N 3.23Å
611F91.7Very high88.5Confident1 Ų176.2 Ų76.20%0.00436%0.361CS..Hα-helixtrans-66.1-43.3174.6179.2-116.8000112.6L607 M608 L609 Q613 Q614 L615 D642 I643 Y646L607-F611 PolarHBondContact O-N 2.85Å; M608-F611 HydrophobicContact CE-CD1 3.93Å; M608-F611 PolarHBondContact O-N 3.12Å; M608-F611 HydrophobicContact SD-CD1 4.33Å; L609-F611 VanDerWaalsContact C-N 3.3Å; L609-F611 PolarHBondContact O-N 2.99Å; F611-Q613 VanDerWaalsContact C-N 3.25Å; F611-Q613 PolarHBondContact O-N 3.22Å; F611-Q614 WeakPolarHBondContact O-CB 3.49Å; F611-Q614 PolarHBondContact O-N 2.89Å; F611-Q614 VanDerWaalsContact O-N 3.11Å; F611-L615 HydrophobicContact CD1-CD1 4.1Å; F611-L615 HydrophobicContact CE1-CD1 3.6Å; F611-L615 HydrophobicContact CE1-CG 4.19Å; F611-L615 HydrophobicContact CE2-CD2 4.4Å; F611-L615 HydrophobicContact CE2-CG 4.31Å; F611-L615 HydrophobicContact CZ-CD1 3.87Å; F611-L615 HydrophobicContact CZ-CD2 4.12Å; F611-L615 HydrophobicContact CZ-CG 4.04Å; F611-L615 PolarHBondContact O-N 3.1Å; F611-D642 HydrophobicContact CE2-CB 4.36Å; F611-D642 HydrophobicContact CZ-CB 4.14Å; F611-I643 HydrophobicContact CE1-CB 4.38Å; F611-I643 HydrophobicContact CE1-CG1 3.83Å; F611-I643 HydrophobicContact CZ-CG1 4Å; F611-Y646 HydrophobicContact CB-CD1 3.95Å; F611-Y646 HydrophobicContact CB-CE1 3.86Å; F611-Y646 HydrophobicContact CB-CG 4.48Å; F611-Y646 HydrophobicContact CD1-CD1 4.22Å; F611-Y646 HydrophobicContact CD1-CD2 4.36Å; F611-Y646 AromaticContact CD1-CG 3.97Å; F611-Y646 HydrophobicContact CD1-CG 3.97Å; F611-Y646 HydrophobicContact CD2-CD1 4.05Å; F611-Y646 AromaticContact CD2-CD2 3.55Å; F611-Y646 HydrophobicContact CD2-CD2 3.55Å; F611-Y646 AromaticContact CD2-CE1 3.94Å; F611-Y646 HydrophobicContact CD2-CE1 3.94Å; F611-Y646 AromaticContact CD2-CE2 3.42Å; F611-Y646 HydrophobicContact CD2-CE2 3.42Å; F611-Y646 VanDerWaalsContact CD2-CE2 3.42Å; F611-Y646 AromaticContact CD2-CG 3.86Å; F611-Y646 HydrophobicContact CD2-CG 3.86Å; F611-Y646 AromaticContact CD2-CZ 3.62Å; F611-Y646 HydrophobicContact CE1-CD2 4.24Å; F611-Y646 HydrophobicContact CE1-CG 4.11Å; F611-Y646 AromaticContact CE2-CD2 3.41Å; F611-Y646 HydrophobicContact CE2-CD2 3.41Å; F611-Y646 VanDerWaalsContact CE2-CD2 3.41Å; F611-Y646 AromaticContact CE2-CE2 3.54Å; F611-Y646 HydrophobicContact CE2-CE2 3.54Å; F611-Y646 HydrophobicContact CE2-CG 4.02Å; F611-Y646 AromaticContact CG-CD1 3.81Å; F611-Y646 HydrophobicContact CG-CD1 3.81Å; F611-Y646 HydrophobicContact CG-CD2 4.03Å; F611-Y646 AromaticContact CG-CE1 3.96Å; F611-Y646 HydrophobicContact CG-CE1 3.96Å; F611-Y646 HydrophobicContact CG-CE2 4.18Å; F611-Y646 AromaticContact CG-CG 3.83Å; F611-Y646 HydrophobicContact CG-CG 3.83Å; F611-Y646 AromaticContact CZ-CD2 3.78Å; F611-Y646 HydrophobicContact CZ-CD2 3.78Å; F611-Y646 HydrophobicContact CZ-CE2 4.36Å; F611-Y646 HydrophobicContact CZ-CG 4.14Å
612I91.5Very high87.9Confident1 Ų174.5 Ų74.51%0.00536%0.363CS..Hα-helixtrans-60.5-38.6174.4-70.9166.5000110.6L588 A596 K597 Y600 M608 L609 L615 E616L588-I612 HydrophobicContact CD2-CD1 4.17Å; L588-I612 HydrophobicContact CD2-CG1 3.93Å; A596-I612 HydrophobicContact CB-CD1 4.25Å; K597-I612 HydrophobicContact CB-CG2 4.16Å; Y600-I612 HydrophobicContact CD2-CD1 3.66Å; Y600-I612 HydrophobicContact CE2-CD1 4.38Å; Y600-I612 HydrophobicContact CG-CD1 4.33Å; M608-I612 HydrophobicContact CE-CD1 4.34Å; M608-I612 HydrophobicContact CE-CG1 4.3Å; M608-I612 WeakPolarHBondContact O-CB 3.25Å; M608-I612 WeakPolarHBondContact O-CG1 3.19Å; M608-I612 PolarHBondContact O-N 2.89Å; L609-I612 PolarHBondContact O-N 3.42Å; I612-L615 CarbonylContact O-C 3.53Å; I612-L615 WeakPolarHBondContact O-CB 3.43Å; I612-L615 PolarHBondContact O-N 3.16Å; I612-E616 HydrophobicContact CG2-CG 4.46Å; I612-E616 WeakPolarHBondContact O-CG 3.3Å; I612-E616 PolarHBondContact O-N 3.44Å
613Q91.4Very high87.3Confident104 Ų10472.5 Ų72.549%0.48635%0.354SS..Hα-helixtrans-63.3-41.5175-175.9174.5-10.100111.9L609 T610 F611 L615 E616 E617L609-Q613 WeakPolarHBondContact O-CB 3.37Å; L609-Q613 PolarHBondContact O-N 3.07Å; T610-Q613 WeakPolarHBondContact O-CB 3.49Å; T610-Q613 PolarHBondContact O-N 3.46Å; F611-Q613 VanDerWaalsContact C-N 3.25Å; F611-Q613 PolarHBondContact O-N 3.22Å; Q613-L615 VanDerWaalsContact C-N 3.32Å; Q613-L615 PolarHBondContact O-N 3.33Å; Q613-E616 PolarHBondContact O-N 2.9Å; Q613-E617 PolarHBondContact O-N 3.36Å
614Q90.6Very high86.8Confident78 Ų7871.2 Ų71.236%0.36435%0.347SS..Hα-helixtrans-61.3-41.1172.8-67.7173.613.200111.5T610 F611 E617 R618T610-Q614 WeakPolarHBondContact O-CG 3.43Å; T610-Q614 PolarHBondContact O-N 3.23Å; F611-Q614 WeakPolarHBondContact O-CB 3.49Å; F611-Q614 PolarHBondContact O-N 2.89Å; F611-Q614 VanDerWaalsContact O-N 3.11Å; Q614-E617 PolarHBondContact O-N 3.36Å; Q614-R618 WeakPolarHBondContact O-CG 3.41Å; Q614-R618 PolarHBondContact O-N 3.28Å
615L89Confident86Confident0 Ų069 Ų690%034%0.335CS..Hα-helixtrans-64.3-40.7174.5-69.1177.7000112.1L593 F611 I612 Q613 E617 R618 Y619 W624 I639 I643L593-L615 HydrophobicContact CD2-CB 4.33Å; L593-L615 HydrophobicContact CD2-CD1 4.44Å; F611-L615 HydrophobicContact CD1-CD1 4.1Å; F611-L615 HydrophobicContact CE1-CD1 3.6Å; F611-L615 HydrophobicContact CE1-CG 4.19Å; F611-L615 HydrophobicContact CE2-CD2 4.4Å; F611-L615 HydrophobicContact CE2-CG 4.31Å; F611-L615 HydrophobicContact CZ-CD1 3.87Å; F611-L615 HydrophobicContact CZ-CD2 4.12Å; F611-L615 HydrophobicContact CZ-CG 4.04Å; F611-L615 PolarHBondContact O-N 3.1Å; I612-L615 CarbonylContact O-C 3.53Å; I612-L615 WeakPolarHBondContact O-CB 3.43Å; I612-L615 PolarHBondContact O-N 3.16Å; Q613-L615 VanDerWaalsContact C-N 3.32Å; Q613-L615 PolarHBondContact O-N 3.33Å; L615-E617 VanDerWaalsContact C-N 3.29Å; L615-E617 PolarHBondContact O-N 3.18Å; L615-R618 PolarHBondContact O-N 3.04Å; L615-Y619 WeakPolarHBondContact O-CB 3.46Å; L615-Y619 PolarHBondContact O-N 2.83Å; L615-W624 HydrophobicContact CB-CH2 4.29Å; L615-W624 HydrophobicContact CD2-CH2 4.37Å; L615-W624 VanDerWaalsContact O-CH2 3.27Å; L615-W624 WeakPolarHBondContact O-CH2 3.39Å; L615-I639 HydrophobicContact CD2-CG2 3.82Å; L615-I643 HydrophobicContact CD1-CD1 4.19Å; L615-I643 HydrophobicContact CD1-CG1 3.97Å
616E88.5Confident85Confident43 Ų4371.7 Ų71.720%0.20135%0.349CS..Hα-helixtrans-60.6-39.2174.1-74.9-178.5155.300111.3L593 K597 I612 Q613 K620L593-E616 HydrophobicContact CB-CG 4.33Å; L593-E616 HydrophobicContact CD1-CG 3.92Å; K597-E616 IonicContact NZ-OE1 3.89Å; K597-E616 PolarHBondContact NZ-OE1 3.41Å; K597-E616 IonicContact NZ-OE2 3.32Å; K597-E616 PolarHBondContact NZ-OE2 3Å; I612-E616 HydrophobicContact CG2-CG 4.46Å; I612-E616 WeakPolarHBondContact O-CG 3.3Å; I612-E616 PolarHBondContact O-N 3.44Å; Q613-E616 PolarHBondContact O-N 2.9Å; E616-K620 VanDerWaalsContact O-CG 3.28Å; E616-K620 WeakPolarHBondContact O-CG 3.36Å; E616-K620 PolarHBondContact O-N 3.49Å
617E87.7Confident83.6Confident85 Ų8573.5 Ų73.540%0.39736%0.355SS..Hα-helixtrans-68.4-42.8175.4-73.9-178.1-169.300112.6Q613 Q614 L615 Y619 K620 R621Q613-E617 PolarHBondContact O-N 3.36Å; Q614-E617 PolarHBondContact O-N 3.36Å; L615-E617 VanDerWaalsContact C-N 3.29Å; L615-E617 PolarHBondContact O-N 3.18Å; E617-Y619 VanDerWaalsContact C-N 3.33Å; E617-Y619 PolarHBondContact O-N 3Å; E617-K620 WeakPolarHBondContact O-CB 3.48Å; E617-K620 PolarHBondContact O-N 3.38Å; E617-R621 WeakPolarHBondContact O-CG 3.32Å; E617-R621 PolarHBondContact O-N 3.28Å
618R86.9Confident82.3Confident60 Ų6070.8 Ų70.823%0.22634%0.339CS..Hα-helixtrans-62.4-40.1174.9-71.9-179.3-174.6-166.911.4112Q614 L615 K620 R621 G622 E623 W624 D642Q614-R618 WeakPolarHBondContact O-CG 3.41Å; Q614-R618 PolarHBondContact O-N 3.28Å; L615-R618 PolarHBondContact O-N 3.04Å; R618-K620 PolarHBondContact O-N 3.24Å; R618-R621 PolarHBondContact O-N 3.47Å; R618-G622 PolarHBondContact O-N 3.46Å; R618-E623 HydrophobicContact CB-CG 4.44Å; R618-E623 WeakPolarHBondContact CB-OE2 3.41Å; R618-E623 VanDerWaalsContact CD-OE2 3.27Å; R618-E623 WeakPolarHBondContact CD-OE2 3.45Å; R618-E623 WeakPolarHBondContact CG-OE2 3.27Å; R618-E623 PolarHBondContact O-N 3.45Å; R618-W624 HydrophobicContact CB-CZ3 3.75Å; R618-D642 IonicContact CZ-OD2 2.64Å; R618-D642 IonicContact NH1-OD2 2.7Å; R618-D642 PolarHBondContact NH1-OD2 3.32Å; R618-D642 IonicContact NH2-OD2 2.74Å; R618-D642 PolarHBondContact NH2-OD2 2.81Å
619Y84.8Confident81Confident88 Ų8873.2 Ų73.235%0.34535%0.352SS..Hα-helixtrans-60.8-44.2172.8-174.2-109.2000111.5L615 E617 R621 G622 W624 N626L615-Y619 WeakPolarHBondContact O-CB 3.46Å; L615-Y619 PolarHBondContact O-N 2.83Å; E617-Y619 VanDerWaalsContact C-N 3.33Å; E617-Y619 PolarHBondContact O-N 3Å; Y619-R621 VanDerWaalsContact C-N 3.27Å; Y619-R621 PolarHBondContact O-N 3.32Å; Y619-G622 PolarHBondContact O-N 3Å; Y619-W624 AromaticContact CD2-CD2 3.94Å; Y619-W624 HydrophobicContact CD2-CD2 3.94Å; Y619-W624 AromaticContact CD2-CE2 3.46Å; Y619-W624 VanDerWaalsContact CD2-CE2 3.46Å; Y619-W624 HydrophobicContact CD2-CG 4.37Å; Y619-W624 HydrophobicContact CD2-CH2 4.43Å; Y619-W624 AromaticContact CD2-CZ2 3.74Å; Y619-W624 HydrophobicContact CD2-CZ2 3.74Å; Y619-W624 AromaticContact CD2-NE1 3.5Å; Y619-W624 AromaticContact CE2-NE1 3.77Å; Y619-W624 HydrophobicContact CG-CZ2 4.19Å; Y619-N626 PolarHBondContact OH-OD1 2.78Å; Y619-N626 VanDerWaalsContact OH-OD1 3.05Å
620K85Confident79.5Confident170 Ų17077.9 Ų77.974%0.73938%0.376SS*.Hα-helixtrans-63.1-30.8175.5-73.7170.7-175.9173.90113.3E616 E617 R618 G622E616-K620 VanDerWaalsContact O-CG 3.28Å; E616-K620 WeakPolarHBondContact O-CG 3.36Å; E616-K620 PolarHBondContact O-N 3.49Å; E617-K620 WeakPolarHBondContact O-CB 3.48Å; E617-K620 PolarHBondContact O-N 3.38Å; R618-K620 PolarHBondContact O-N 3.24Å; K620-G622 PolarHBondContact O-N 3.24Å
621R83Confident78.1Confident184 Ų18481.2 Ų81.269%0.69439%0.391SS*.THydrogen-bonded Turntrans-75.1-8.4175.4-70.4175.6-171.7-173.84.7113.4E617 R618 Y619E617-R621 WeakPolarHBondContact O-CG 3.32Å; E617-R621 PolarHBondContact O-N 3.28Å; R618-R621 PolarHBondContact O-N 3.47Å; Y619-R621 VanDerWaalsContact C-N 3.27Å; Y619-R621 PolarHBondContact O-N 3.32Å
622G77.7Confident76.9Confident46 Ų4687.3 Ų87.347%0.47442%0.417SS..THydrogen-bonded Turntrans8024.2179.200000113.8R618 Y619 K620 W624R618-G622 PolarHBondContact O-N 3.46Å; Y619-G622 PolarHBondContact O-N 3Å; K620-G622 PolarHBondContact O-N 3.24Å; G622-W624 PolarHBondContact O-N 2.84Å
623E72.5Confident75.8Confident66 Ų6688.9 Ų88.931%0.30843%0.428SS..SBendtrans-64.5-24.8176.7-72.4-177.4-163.500112.8R618 N635R618-E623 HydrophobicContact CB-CG 4.44Å; R618-E623 WeakPolarHBondContact CB-OE2 3.41Å; R618-E623 VanDerWaalsContact CD-OE2 3.27Å; R618-E623 WeakPolarHBondContact CD-OE2 3.45Å; R618-E623 WeakPolarHBondContact CG-OE2 3.27Å; R618-E623 PolarHBondContact O-N 3.45Å; E623-N635 WeakPolarHBondContact O-CB 3.37Å; E623-N635 PolarHBondContact O-ND2 3.27Å; E623-N635 VanDerWaalsContact O-ND2 3.11Å
624W77.4Confident74.9Confident4 Ų486.9 Ų86.92%0.01543%0.426CS..  trans-150.2155.8167.877.796.7000112.7L591 L593 L615 R618 Y619 G622 E628 V636 I639L591-W624 HydrophobicContact CD2-CZ2 4.37Å; L593-W624 HydrophobicContact CD1-CZ2 4.37Å; L615-W624 HydrophobicContact CB-CH2 4.29Å; L615-W624 HydrophobicContact CD2-CH2 4.37Å; L615-W624 VanDerWaalsContact O-CH2 3.27Å; L615-W624 WeakPolarHBondContact O-CH2 3.39Å; R618-W624 HydrophobicContact CB-CZ3 3.75Å; Y619-W624 AromaticContact CD2-CD2 3.94Å; Y619-W624 HydrophobicContact CD2-CD2 3.94Å; Y619-W624 AromaticContact CD2-CE2 3.46Å; Y619-W624 VanDerWaalsContact CD2-CE2 3.46Å; Y619-W624 HydrophobicContact CD2-CG 4.37Å; Y619-W624 HydrophobicContact CD2-CH2 4.43Å; Y619-W624 AromaticContact CD2-CZ2 3.74Å; Y619-W624 HydrophobicContact CD2-CZ2 3.74Å; Y619-W624 AromaticContact CD2-NE1 3.5Å; Y619-W624 AromaticContact CE2-NE1 3.77Å; Y619-W624 HydrophobicContact CG-CZ2 4.19Å; G622-W624 PolarHBondContact O-N 2.84Å; W624-E628 VanDerWaalsContact CA-OE2 3.32Å; W624-E628 WeakPolarHBondContact CA-OE2 3.49Å; W624-V636 HydrophobicContact CB-CG2 3.97Å; W624-I639 HydrophobicContact CB-CD1 4.27Å; W624-I639 HydrophobicContact CD2-CD1 3.64Å; W624-I639 HydrophobicContact CE3-CD1 3.12Å; W624-I639 HydrophobicContact CE3-CG1 4.3Å; W624-I639 HydrophobicContact CG-CD1 4.17Å; W624-I639 HydrophobicContact CH2-CD1 4.39Å; W624-I639 HydrophobicContact CZ3-CD1 3.54Å; W624-I639 HydrophobicContact CZ3-CG1 4.29Å
625N71.8Confident74.1Confident90 Ų9087 Ų8748%0.48143%0.429SS..  trans-120.4160.7174.2-76.3-34.4000112.3Q627 E628 L629N625-Q627 PolarHBondContact O-N 3.32Å; N625-E628 PolarHBondContact N-OE2 3.16Å; N625-E628 PolarHBondContact O-N 3.3Å; N625-L629 PolarHBondContact O-N 2.84Å
626N68.3Low73.7Confident113 Ų11387.2 Ų87.260%0.60443%0.43SS*.THydrogen-bonded Turntrans-57.8-22.8-179.3-70-6.4000113.8Y619Y619-N626 PolarHBondContact OH-OD1 2.78Å; Y619-N626 VanDerWaalsContact OH-OD1 3.05Å
627Q60.3Low73.3Confident165 Ų16586.2 Ų86.277%0.77143%0.426SS*.THydrogen-bonded Turntrans-78.1-31.5175.1-73-179.9-17.900113.1N625 L629 I630N625-Q627 PolarHBondContact O-N 3.32Å; Q627-L629 VanDerWaalsContact C-N 3.28Å; Q627-L629 PolarHBondContact O-N 2.97Å; Q627-I630 PolarHBondContact O-N 3.22Å
628E60.1Low73Confident73 Ų7383.6 Ų83.634%0.34142%0.416SS..Hα-helixtrans-75.8-19.9-179.6-65-179.7161.100112.7W624 N625 I630 N631 K632 V636W624-E628 VanDerWaalsContact CA-OE2 3.32Å; W624-E628 WeakPolarHBondContact CA-OE2 3.49Å; N625-E628 PolarHBondContact N-OE2 3.16Å; N625-E628 PolarHBondContact O-N 3.3Å; E628-I630 PolarHBondContact O-N 3.35Å; E628-N631 PolarHBondContact O-N 3.33Å; E628-K632 PolarHBondContact O-N 3.19Å; E628-V636 HydrophobicContact CB-CG2 4.33Å
629L60.8Low72.8Confident60 Ų6081 Ų8131%0.31441%0.407SS..Hα-helixtrans-55-34.6171.9-128.7109.5000112.4L591 N625 Q627L591-L629 HydrophobicContact CB-CD1 3.99Å; L591-L629 HydrophobicContact CD1-CD1 3.36Å; L591-L629 HydrophobicContact CD1-CD2 4.29Å; L591-L629 HydrophobicContact CD1-CG 3.79Å; L591-L629 HydrophobicContact CG-CD1 4.28Å; N625-L629 PolarHBondContact O-N 2.84Å; Q627-L629 VanDerWaalsContact C-N 3.28Å; Q627-L629 PolarHBondContact O-N 2.97Å
630I61Low72.8Confident142 Ų14277.9 Ų77.973%0.72840%0.396SS*.Hα-helixtrans-76.9-32.6-176.4-58.6172.1000110.6Q627 E628Q627-I630 PolarHBondContact O-N 3.22Å; E628-I630 PolarHBondContact O-N 3.35Å
631N59.9Low72.8Confident133 Ų13369.8 Ų69.871%0.71136%0.361SS*.Hα-helixtrans-96.8-0.8-173.6-69-12.4000114.3E628 S633E628-N631 PolarHBondContact O-N 3.33Å; N631-S633 PolarHBondContact O-N 3.24Å
632K66.2Low73Confident128 Ų12861.6 Ų61.656%0.55733%0.331SS*.THydrogen-bonded Turntrans43.858-174.7-67.9-174.3177.3-178.30112.2E628 L637E628-K632 PolarHBondContact O-N 3.19Å; K632-L637 HydrophobicContact CB-CD2 4.37Å; K632-L637 HydrophobicContact CB-CG 4.43Å
633S69.9Low73.5Confident34 Ų3459.4 Ų59.424%0.23831%0.308CS..  trans-57.6159.1175.162.40000111.6N631 N635 V636 L637N631-S633 PolarHBondContact O-N 3.24Å; S633-N635 PolarHBondContact O-N 3.29Å; S633-N635 VanDerWaalsContact O-N 3.13Å; S633-V636 PolarHBondContact O-N 3.04Å; S633-V636 WeakPolarHBondContact OG-CG2 3.4Å; S633-L637 PolarHBondContact O-N 2.94Å
634S71Confident74.2Confident63 Ų6356.9 Ų56.944%0.44130%0.298SS..Hα-helixtrans-56.5-32.7-178.667.80000112.7L637 T638S634-L637 PolarHBondContact O-N 2.91Å; S634-T638 PolarHBondContact O-N 3.38Å; S634-T638 PolarHBondContact O-OG1 3.18Å
635N75Confident74.6Confident80 Ų8057.7 Ų57.743%0.42831%0.305SS..Hα-helixtrans-65.6-46.5174.1-71.6-2000111.7E623 S633 L637 T638 I639E623-N635 WeakPolarHBondContact O-CB 3.37Å; E623-N635 PolarHBondContact O-ND2 3.27Å; E623-N635 VanDerWaalsContact O-ND2 3.11Å; S633-N635 PolarHBondContact O-N 3.29Å; S633-N635 VanDerWaalsContact O-N 3.13Å; N635-L637 VanDerWaalsContact C-N 3.31Å; N635-L637 PolarHBondContact O-N 3.22Å; N635-T638 WeakPolarHBondContact O-CB 3.43Å; N635-T638 PolarHBondContact O-N 2.9Å; N635-I639 WeakPolarHBondContact O-CD1 3.16Å; N635-I639 VanDerWaalsContact O-CG1 3.3Å; N635-I639 WeakPolarHBondContact O-CG1 3.34Å; N635-I639 PolarHBondContact O-N 2.92Å
636V79.2Confident75.3Confident4 Ų459.1 Ų59.12%0.02431%0.305CS..Hα-helixtrans-63.5-38.6176.31750000110.9W624 E628 S633 T638 I639 L640W624-V636 HydrophobicContact CB-CG2 3.97Å; E628-V636 HydrophobicContact CB-CG2 4.33Å; S633-V636 PolarHBondContact O-N 3.04Å; S633-V636 WeakPolarHBondContact OG-CG2 3.4Å; V636-T638 VanDerWaalsContact C-N 3.35Å; V636-I639 PolarHBondContact O-N 3.09Å; V636-L640 HydrophobicContact CG1-CD1 4.06Å; V636-L640 HydrophobicContact CG1-CG 4.36Å; V636-L640 WeakPolarHBondContact O-CB 3.46Å; V636-L640 VanDerWaalsContact O-CG 3.31Å; V636-L640 WeakPolarHBondContact O-CG 3.09Å; V636-L640 PolarHBondContact O-N 3.23Å
637L80.7Confident76.1Confident22 Ų2255.4 Ų55.412%0.11529%0.285CS..Hα-helixtrans-63.8-40.2174.1-71.2168.9000111.8K632 S633 S634 N635 I639 L640 G641 Y656K632-L637 HydrophobicContact CB-CD2 4.37Å; K632-L637 HydrophobicContact CB-CG 4.43Å; S633-L637 PolarHBondContact O-N 2.94Å; S634-L637 PolarHBondContact O-N 2.91Å; N635-L637 VanDerWaalsContact C-N 3.31Å; N635-L637 PolarHBondContact O-N 3.22Å; L637-I639 VanDerWaalsContact C-N 3.32Å; L637-I639 PolarHBondContact O-N 3.33Å; L637-L640 PolarHBondContact O-N 2.93Å; L637-G641 PolarHBondContact O-N 2.86Å; L637-Y656 HydrophobicContact CD2-CD1 3.87Å; L637-Y656 HydrophobicContact CD2-CE1 4.28Å
638T81.2Confident77.2Confident31 Ų3149.3 Ų49.319%0.1927%0.267CS..Hα-helixtrans-63.3-40.6175.1-52.80000111.1S634 N635 V636 G641 D642 Y657S634-T638 PolarHBondContact O-N 3.38Å; S634-T638 PolarHBondContact O-OG1 3.18Å; N635-T638 WeakPolarHBondContact O-CB 3.43Å; N635-T638 PolarHBondContact O-N 2.9Å; V636-T638 VanDerWaalsContact C-N 3.35Å; T638-G641 PolarHBondContact O-N 3.28Å; T638-D642 PolarHBondContact O-N 3.44Å; T638-Y657 HydrophobicContact CG2-CE1 4.34Å
639I84.1Confident78.5Confident4 Ų449.7 Ų49.72%0.02127%0.268CS..Hα-helixtrans-67.9-41.6176.9-66.5155.2000111.5L591 L615 W624 N635 V636 L637 G641 D642 I643L591-I639 HydrophobicContact CD2-CG2 4.42Å; L615-I639 HydrophobicContact CD2-CG2 3.82Å; W624-I639 HydrophobicContact CB-CD1 4.27Å; W624-I639 HydrophobicContact CD2-CD1 3.64Å; W624-I639 HydrophobicContact CE3-CD1 3.12Å; W624-I639 HydrophobicContact CE3-CG1 4.3Å; W624-I639 HydrophobicContact CG-CD1 4.17Å; W624-I639 HydrophobicContact CH2-CD1 4.39Å; W624-I639 HydrophobicContact CZ3-CD1 3.54Å; W624-I639 HydrophobicContact CZ3-CG1 4.29Å; N635-I639 WeakPolarHBondContact O-CD1 3.16Å; N635-I639 VanDerWaalsContact O-CG1 3.3Å; N635-I639 WeakPolarHBondContact O-CG1 3.34Å; N635-I639 PolarHBondContact O-N 2.92Å; V636-I639 PolarHBondContact O-N 3.09Å; L637-I639 VanDerWaalsContact C-N 3.32Å; L637-I639 PolarHBondContact O-N 3.33Å; I639-G641 VanDerWaalsContact C-N 3.29Å; I639-G641 PolarHBondContact O-N 2.87Å; I639-D642 PolarHBondContact O-N 3.02Å; I639-I643 HydrophobicContact CG2-CD1 3.89Å; I639-I643 HydrophobicContact CG2-CG1 4.44Å; I639-I643 VanDerWaalsContact O-CG1 3.26Å; I639-I643 WeakPolarHBondContact O-CG1 3.4Å; I639-I643 PolarHBondContact O-N 3.38Å
640L84.5Confident79.6Confident24 Ų2451 Ų5113%0.12627%0.271CS..Hα-helixtrans-65.3-34.8174.1-71.2172.2000111.5V636 L637 I643 S644 Y656V636-L640 HydrophobicContact CG1-CD1 4.06Å; V636-L640 HydrophobicContact CG1-CG 4.36Å; V636-L640 WeakPolarHBondContact O-CB 3.46Å; V636-L640 VanDerWaalsContact O-CG 3.31Å; V636-L640 WeakPolarHBondContact O-CG 3.09Å; V636-L640 PolarHBondContact O-N 3.23Å; L637-L640 PolarHBondContact O-N 2.93Å; L640-I643 HydrophobicContact CD2-CD1 4.44Å; L640-I643 PolarHBondContact O-N 3.07Å; L640-S644 VanDerWaalsContact O-CB 3.3Å; L640-S644 WeakPolarHBondContact O-CB 3.4Å; L640-S644 PolarHBondContact O-N 2.8Å; L640-S644 PolarHBondContact O-OG 3.42Å; L640-Y656 HydrophobicContact CB-CD2 4.37Å; L640-Y656 HydrophobicContact CB-CE2 4.4Å; L640-Y656 HydrophobicContact CB-CG 4.46Å
641G84.5Confident80.6Confident0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-61.5-48170.200000112L637 T638 I639 S644 A645 A653L637-G641 PolarHBondContact O-N 2.86Å; T638-G641 PolarHBondContact O-N 3.28Å; I639-G641 VanDerWaalsContact C-N 3.29Å; I639-G641 PolarHBondContact O-N 2.87Å; G641-S644 PolarHBondContact O-N 3.34Å; G641-A645 WeakPolarHBondContact O-CB 3.2Å; G641-A645 PolarHBondContact O-N 3.19Å; G641-A653 WeakPolarHBondContact O-CB 3.48Å
642D87Confident81.6Confident11 Ų1149.1 Ų49.16%0.05926%0.26CS..Hα-helixtrans-61-44.9175.3-71.3-4.7000111.3F611 R618 T638 I639 S644 A645 Y646 Y657F611-D642 HydrophobicContact CE2-CB 4.36Å; F611-D642 HydrophobicContact CZ-CB 4.14Å; R618-D642 IonicContact CZ-OD2 2.64Å; R618-D642 IonicContact NH1-OD2 2.7Å; R618-D642 PolarHBondContact NH1-OD2 3.32Å; R618-D642 IonicContact NH2-OD2 2.74Å; R618-D642 PolarHBondContact NH2-OD2 2.81Å; T638-D642 PolarHBondContact O-N 3.44Å; I639-D642 PolarHBondContact O-N 3.02Å; D642-S644 VanDerWaalsContact C-N 3.35Å; D642-S644 PolarHBondContact O-N 3.12Å; D642-A645 PolarHBondContact O-N 3.32Å; D642-Y646 WeakPolarHBondContact O-CD2 3.41Å; D642-Y646 PolarHBondContact O-N 2.9Å; D642-Y657 WeakPolarHBondContact OD1-CE1 3.25Å; D642-Y657 PolarHBondContact OD1-OH 3.12Å
643I87.7Confident82.5Confident1 Ų143 Ų431%0.00523%0.233CC..Hα-helixtrans-60.8-45176.1-69.1164.2000110.5L591 F611 L615 I639 L640 Y646 L647L591-I643 HydrophobicContact CD2-CD1 3.89Å; F611-I643 HydrophobicContact CE1-CB 4.38Å; F611-I643 HydrophobicContact CE1-CG1 3.83Å; F611-I643 HydrophobicContact CZ-CG1 4Å; L615-I643 HydrophobicContact CD1-CD1 4.19Å; L615-I643 HydrophobicContact CD1-CG1 3.97Å; I639-I643 HydrophobicContact CG2-CD1 3.89Å; I639-I643 HydrophobicContact CG2-CG1 4.44Å; I639-I643 VanDerWaalsContact O-CG1 3.26Å; I639-I643 WeakPolarHBondContact O-CG1 3.4Å; I639-I643 PolarHBondContact O-N 3.38Å; L640-I643 HydrophobicContact CD2-CD1 4.44Å; L640-I643 PolarHBondContact O-N 3.07Å; I643-Y646 PolarHBondContact O-N 3.07Å; I643-L647 HydrophobicContact CG2-CD1 3.79Å; I643-L647 HydrophobicContact CG2-CG 4.36Å; I643-L647 WeakPolarHBondContact O-CB 3.19Å; I643-L647 VanDerWaalsContact O-CG 3.27Å; I643-L647 WeakPolarHBondContact O-CG 3.29Å; I643-L647 PolarHBondContact O-N 2.97Å
644S87.4Confident83Confident13 Ų1342.8 Ų42.89%0.09123%0.23CC..Hα-helixtrans-67.3-38.2-179.2-55.80000111.8L640 G641 D642 L647 G648 H649 Y656L640-S644 VanDerWaalsContact O-CB 3.3Å; L640-S644 WeakPolarHBondContact O-CB 3.4Å; L640-S644 PolarHBondContact O-N 2.8Å; L640-S644 PolarHBondContact O-OG 3.42Å; G641-S644 PolarHBondContact O-N 3.34Å; D642-S644 VanDerWaalsContact C-N 3.35Å; D642-S644 PolarHBondContact O-N 3.12Å; S644-L647 PolarHBondContact O-N 2.96Å; S644-G648 PolarHBondContact O-N 3Å; S644-H649 WeakPolarHBondContact O-CA 3.48Å; S644-H649 PolarHBondContact O-N 3.3Å; S644-Y656 WeakPolarHBondContact OG-CE2 3.42Å
645A86Confident83.6Confident20 Ų2041.8 Ų41.817%0.16523%0.226CC..Hα-helixtrans-62.3-46.5174.200000111G641 D642 L647 G648 A653G641-A645 WeakPolarHBondContact O-CB 3.2Å; G641-A645 PolarHBondContact O-N 3.19Å; D642-A645 PolarHBondContact O-N 3.32Å; A645-L647 VanDerWaalsContact C-N 3.32Å; A645-L647 PolarHBondContact O-N 3.44Å; A645-G648 PolarHBondContact O-N 2.98Å; A645-A653 HydrophobicContact CB-CB 3.82Å
646Y86.3Confident84Confident121 Ų12141 Ų4148%0.47522%0.217SC..Hα-helixtrans-64.8-33.6176.6-96.1-92.1000113.2F611 D642 I643 G648F611-Y646 HydrophobicContact CB-CD1 3.95Å; F611-Y646 HydrophobicContact CB-CE1 3.86Å; F611-Y646 HydrophobicContact CB-CG 4.48Å; F611-Y646 HydrophobicContact CD1-CD1 4.22Å; F611-Y646 HydrophobicContact CD1-CD2 4.36Å; F611-Y646 AromaticContact CD1-CG 3.97Å; F611-Y646 HydrophobicContact CD1-CG 3.97Å; F611-Y646 HydrophobicContact CD2-CD1 4.05Å; F611-Y646 AromaticContact CD2-CD2 3.55Å; F611-Y646 HydrophobicContact CD2-CD2 3.55Å; F611-Y646 AromaticContact CD2-CE1 3.94Å; F611-Y646 HydrophobicContact CD2-CE1 3.94Å; F611-Y646 AromaticContact CD2-CE2 3.42Å; F611-Y646 HydrophobicContact CD2-CE2 3.42Å; F611-Y646 VanDerWaalsContact CD2-CE2 3.42Å; F611-Y646 AromaticContact CD2-CG 3.86Å; F611-Y646 HydrophobicContact CD2-CG 3.86Å; F611-Y646 AromaticContact CD2-CZ 3.62Å; F611-Y646 HydrophobicContact CE1-CD2 4.24Å; F611-Y646 HydrophobicContact CE1-CG 4.11Å; F611-Y646 AromaticContact CE2-CD2 3.41Å; F611-Y646 HydrophobicContact CE2-CD2 3.41Å; F611-Y646 VanDerWaalsContact CE2-CD2 3.41Å; F611-Y646 AromaticContact CE2-CE2 3.54Å; F611-Y646 HydrophobicContact CE2-CE2 3.54Å; F611-Y646 HydrophobicContact CE2-CG 4.02Å; F611-Y646 AromaticContact CG-CD1 3.81Å; F611-Y646 HydrophobicContact CG-CD1 3.81Å; F611-Y646 HydrophobicContact CG-CD2 4.03Å; F611-Y646 AromaticContact CG-CE1 3.96Å; F611-Y646 HydrophobicContact CG-CE1 3.96Å; F611-Y646 HydrophobicContact CG-CE2 4.18Å; F611-Y646 AromaticContact CG-CG 3.83Å; F611-Y646 HydrophobicContact CG-CG 3.83Å; F611-Y646 AromaticContact CZ-CD2 3.78Å; F611-Y646 HydrophobicContact CZ-CD2 3.78Å; F611-Y646 HydrophobicContact CZ-CE2 4.36Å; F611-Y646 HydrophobicContact CZ-CG 4.14Å; D642-Y646 WeakPolarHBondContact O-CD2 3.41Å; D642-Y646 PolarHBondContact O-N 2.9Å; I643-Y646 PolarHBondContact O-N 3.07Å; Y646-G648 PolarHBondContact O-N 2.97Å
647L85.5Confident84.1Confident34 Ų3441.8 Ų41.818%0.17822%0.22CC..THydrogen-bonded Turntrans-76.4-2.1174.2-68.8174.2000113.5R585 M608 I643 S644 A645R585-L647 HydrophobicContact CG-CD2 4.44Å; M608-L647 HydrophobicContact SD-CD2 4.43Å; I643-L647 HydrophobicContact CG2-CD1 3.79Å; I643-L647 HydrophobicContact CG2-CG 4.36Å; I643-L647 WeakPolarHBondContact O-CB 3.19Å; I643-L647 VanDerWaalsContact O-CG 3.27Å; I643-L647 WeakPolarHBondContact O-CG 3.29Å; I643-L647 PolarHBondContact O-N 2.97Å; S644-L647 PolarHBondContact O-N 2.96Å; A645-L647 VanDerWaalsContact C-N 3.32Å; A645-L647 PolarHBondContact O-N 3.44Å
648G84.1Confident84Confident38 Ų3844.3 Ų44.339%0.39224%0.237SC..THydrogen-bonded Turntrans84.910178.400000114.9S644 A645 Y646 F650S644-G648 PolarHBondContact O-N 3Å; A645-G648 PolarHBondContact O-N 2.98Å; Y646-G648 PolarHBondContact O-N 2.97Å; G648-F650 PolarHBondContact O-N 2.95Å
649H86.6Confident83.7Confident81 Ų8148.8 Ų48.838%0.37526%0.255SS..  trans-94.269.9178.8-62.1176.9000111S644 N651 E652 A653S644-H649 WeakPolarHBondContact O-CA 3.48Å; S644-H649 PolarHBondContact O-N 3.3Å; H649-N651 VanDerWaalsContact C-N 3.33Å; H649-N651 PolarHBondContact O-N 3.44Å; H649-E652 HydrophobicContact CB-CB 4.17Å; H649-E652 HydrophobicContact CB-CG 4.33Å; H649-E652 WeakPolarHBondContact CB-OE2 2.99Å; H649-E652 IonicContact CG-OE2 2.71Å; H649-E652 IonicContact ND1-OE2 3.55Å; H649-E652 PolarHBondContact ND1-OE2 3.1Å; H649-E652 PolarHBondContact O-N 3.38Å; H649-A653 PolarHBondContact O-N 3.25Å
650F83.7Confident83.1Confident86 Ų8649 Ų4938%0.37726%0.257SS..Hα-helixtrans-63.7-32.3-171.9-55.9-66.3000114.4G648 A653 V654 L676G648-F650 PolarHBondContact O-N 2.95Å; F650-A653 WeakPolarHBondContact O-CB 3.42Å; F650-A653 PolarHBondContact O-N 3.09Å; F650-V654 WeakPolarHBondContact O-CG2 3.41Å; F650-V654 PolarHBondContact O-N 3.03Å; F650-L676 HydrophobicContact CD1-CD1 4.45Å; F650-L676 HydrophobicContact CE1-CD2 4.45Å; F650-L676 HydrophobicContact CE2-CD2 4.43Å; F650-L676 HydrophobicContact CZ-CD2 4.24Å
651N82.7Confident81.9Confident139 Ų13955.1 Ų55.174%0.74329%0.29SS*.Hα-helixtrans-67.4-40.6177.2-64.4-20.6000111.4H649 A653 A655H649-N651 VanDerWaalsContact C-N 3.33Å; H649-N651 PolarHBondContact O-N 3.44Å; N651-A653 VanDerWaalsContact C-N 3.35Å; N651-A655 WeakPolarHBondContact O-CB 3.38Å; N651-A655 PolarHBondContact O-N 3.14Å
652E81.2Confident80.7Confident97 Ų9758.2 Ų58.245%0.45331%0.312SS..Hα-helixtrans-67.7-39.1174.8-63.9-178.7159.400110.2H649 A655 Y656H649-E652 HydrophobicContact CB-CB 4.17Å; H649-E652 HydrophobicContact CB-CG 4.33Å; H649-E652 WeakPolarHBondContact CB-OE2 2.99Å; H649-E652 IonicContact CG-OE2 2.71Å; H649-E652 IonicContact ND1-OE2 3.55Å; H649-E652 PolarHBondContact ND1-OE2 3.1Å; H649-E652 PolarHBondContact O-N 3.38Å; E652-A655 WeakPolarHBondContact O-CB 3.19Å; E652-A655 PolarHBondContact O-N 3.05Å; E652-Y656 HydrophobicContact CB-CE2 4.24Å; E652-Y656 WeakPolarHBondContact O-CD2 3.06Å; E652-Y656 PolarHBondContact O-N 2.9Å
653A84.4Confident79.2Confident0 Ų064.1 Ų64.10%035%0.349CS..Hα-helixtrans-60.4-47.4174.900000112.5G641 A645 H649 F650 N651 A655 Y656 Y657G641-A653 WeakPolarHBondContact O-CB 3.48Å; A645-A653 HydrophobicContact CB-CB 3.82Å; H649-A653 PolarHBondContact O-N 3.25Å; F650-A653 WeakPolarHBondContact O-CB 3.42Å; F650-A653 PolarHBondContact O-N 3.09Å; N651-A653 VanDerWaalsContact C-N 3.35Å; A653-A655 VanDerWaalsContact C-N 3.32Å; A653-A655 PolarHBondContact O-N 3.49Å; A653-Y656 PolarHBondContact O-N 3.46Å; A653-Y657 HydrophobicContact CB-CE2 4.2Å; A653-Y657 WeakPolarHBondContact O-CB 3.45Å; A653-Y657 VanDerWaalsContact O-CD2 3.22Å; A653-Y657 WeakPolarHBondContact O-CD2 3.08Å; A653-Y657 VanDerWaalsContact O-CG 3.3Å; A653-Y657 PolarHBondContact O-N 3.23Å
654V79.9Confident77.9Confident30 Ų3070.4 Ų70.418%0.18238%0.382CS..Hα-helixtrans-61.9-40.5175.5172.80000110.9F650 Y656 Y657 T658 M672F650-V654 WeakPolarHBondContact O-CG2 3.41Å; F650-V654 PolarHBondContact O-N 3.03Å; V654-Y656 VanDerWaalsContact C-N 3.34Å; V654-Y656 PolarHBondContact O-N 3.26Å; V654-Y657 PolarHBondContact O-N 3.08Å; V654-T658 HydrophobicContact CG1-CG2 4.03Å; V654-T658 WeakPolarHBondContact O-CB 3.31Å; V654-T658 VanDerWaalsContact O-CG2 3.28Å; V654-T658 WeakPolarHBondContact O-CG2 3.43Å; V654-T658 PolarHBondContact O-N 3.08Å; V654-T658 PolarHBondContact O-OG1 3.14Å; V654-M672 HydrophobicContact CG2-CE 3.63Å
655A83.3Confident76.8Confident42 Ų4270.4 Ų70.435%0.34738%0.381SS..Hα-helixtrans-61.6-42.4175.700000111.8N651 E652 A653 T658 Q659N651-A655 WeakPolarHBondContact O-CB 3.38Å; N651-A655 PolarHBondContact O-N 3.14Å; E652-A655 WeakPolarHBondContact O-CB 3.19Å; E652-A655 PolarHBondContact O-N 3.05Å; A653-A655 VanDerWaalsContact C-N 3.32Å; A653-A655 PolarHBondContact O-N 3.49Å; A655-T658 PolarHBondContact O-OG1 3.3Å; A655-T658 VanDerWaalsContact O-OG1 3.12Å; A655-Q659 WeakPolarHBondContact O-CB 3.34Å; A655-Q659 WeakPolarHBondContact O-CG 3.45Å; A655-Q659 PolarHBondContact O-N 2.9Å
656Y83Confident76Confident63 Ų6373.7 Ų73.725%0.24740%0.396CS..Hα-helixtrans-67.9-40.2175.3-70.7-50.9000112.8L637 L640 S644 E652 A653 V654 Q659 A660L637-Y656 HydrophobicContact CD2-CD1 3.87Å; L637-Y656 HydrophobicContact CD2-CE1 4.28Å; L640-Y656 HydrophobicContact CB-CD2 4.37Å; L640-Y656 HydrophobicContact CB-CE2 4.4Å; L640-Y656 HydrophobicContact CB-CG 4.46Å; S644-Y656 WeakPolarHBondContact OG-CE2 3.42Å; E652-Y656 HydrophobicContact CB-CE2 4.24Å; E652-Y656 WeakPolarHBondContact O-CD2 3.06Å; E652-Y656 PolarHBondContact O-N 2.9Å; A653-Y656 PolarHBondContact O-N 3.46Å; V654-Y656 VanDerWaalsContact C-N 3.34Å; V654-Y656 PolarHBondContact O-N 3.26Å; Y656-Q659 PolarHBondContact O-N 2.8Å; Y656-A660 PolarHBondContact O-N 3.32Å
657Y82.3Confident75.3Confident20 Ų2073.5 Ų73.58%0.07840%0.399CS..Hα-helixtrans-68.9-43.5178.8-71.3-36.3000113.3T638 D642 A653 V654 Q659 A660 I665T638-Y657 HydrophobicContact CG2-CE1 4.34Å; D642-Y657 WeakPolarHBondContact OD1-CE1 3.25Å; D642-Y657 PolarHBondContact OD1-OH 3.12Å; A653-Y657 HydrophobicContact CB-CE2 4.2Å; A653-Y657 WeakPolarHBondContact O-CB 3.45Å; A653-Y657 VanDerWaalsContact O-CD2 3.22Å; A653-Y657 WeakPolarHBondContact O-CD2 3.08Å; A653-Y657 VanDerWaalsContact O-CG 3.3Å; A653-Y657 PolarHBondContact O-N 3.23Å; V654-Y657 PolarHBondContact O-N 3.08Å; Y657-Q659 VanDerWaalsContact C-N 3.28Å; Y657-Q659 PolarHBondContact O-N 3.02Å; Y657-A660 WeakPolarHBondContact O-CB 3.26Å; Y657-A660 PolarHBondContact O-N 3.44Å; Y657-A660 VanDerWaalsContact O-N 3.12Å; Y657-I665 HydrophobicContact CG-CG2 4.47Å
658T78.1Confident74.7Confident76 Ų7676.6 Ų76.647%0.46641%0.411SS..Hα-helixtrans-64.6-33.9176.8510000111.7V654 A655 A660V654-T658 HydrophobicContact CG1-CG2 4.03Å; V654-T658 WeakPolarHBondContact O-CB 3.31Å; V654-T658 VanDerWaalsContact O-CG2 3.28Å; V654-T658 WeakPolarHBondContact O-CG2 3.43Å; V654-T658 PolarHBondContact O-N 3.08Å; V654-T658 PolarHBondContact O-OG1 3.14Å; A655-T658 PolarHBondContact O-OG1 3.3Å; A655-T658 VanDerWaalsContact O-OG1 3.12Å; T658-A660 VanDerWaalsContact C-N 3.28Å; T658-A660 PolarHBondContact O-N 3.33Å
659Q75.9Confident74.3Confident124 Ų12475.3 Ų75.358%0.57940%0.396SS*.Hα-helixtrans-71-19.8174.1-75.4176.48.900113.8A655 Y656 Y657 N661A655-Q659 WeakPolarHBondContact O-CB 3.34Å; A655-Q659 WeakPolarHBondContact O-CG 3.45Å; A655-Q659 PolarHBondContact O-N 2.9Å; Y656-Q659 PolarHBondContact O-N 2.8Å; Y657-Q659 VanDerWaalsContact C-N 3.28Å; Y657-Q659 PolarHBondContact O-N 3.02Å; Q659-N661 VanDerWaalsContact C-N 3.34Å; Q659-N661 PolarHBondContact O-N 3.27Å
660A71.3Confident73.7Confident8 Ų873 Ų737%0.06639%0.385CS..THydrogen-bonded Turntrans-80.7-5.3-176.600000114.7Y656 Y657 T658 S662 I665Y656-A660 PolarHBondContact O-N 3.32Å; Y657-A660 WeakPolarHBondContact O-CB 3.26Å; Y657-A660 PolarHBondContact O-N 3.44Å; Y657-A660 VanDerWaalsContact O-N 3.12Å; T658-A660 VanDerWaalsContact C-N 3.28Å; T658-A660 PolarHBondContact O-N 3.33Å; A660-S662 PolarHBondContact O-N 2.85Å; A660-I665 HydrophobicContact CB-CD1 3.85Å
661N59.1Low73.5Confident153 Ų15372.7 Ų72.782%0.81839%0.388SS*.  trans3865.7171.5-89.7-9.6000115.9Q659Q659-N661 VanDerWaalsContact C-N 3.34Å; Q659-N661 PolarHBondContact O-N 3.27Å
662S58.9Low73.5Confident66 Ų6667.4 Ų67.446%0.46236%0.359SS..  trans-137.6148.1168.581.10000113.1A660 N664 I665A660-S662 PolarHBondContact O-N 2.85Å; S662-N664 VanDerWaalsContact C-N 3.31Å; S662-N664 PolarHBondContact O-N 2.8Å; S662-I665 WeakPolarHBondContact O-CB 3.22Å; S662-I665 PolarHBondContact O-N 3.38Å; S662-I665 WeakPolarHBondContact OG-CD1 3.31Å; S662-I665 VanDerWaalsContact OG-CG1 3.31Å; S662-I665 WeakPolarHBondContact OG-CG1 3.39Å
663T56.8Low73.6Confident135 Ų13564.9 Ų64.983%0.82835%0.345SS*.THydrogen-bonded Turntrans-66.8-24.2-171.545.50000114.6I665T663-I665 VanDerWaalsContact C-N 3.3Å; T663-I665 PolarHBondContact O-N 3.17Å
664N59.8Low73.3Confident132 Ų13267 Ų6771%0.70636%0.359SS*.THydrogen-bonded Turntrans-78.3-9.6176.7-93.2-13.2000114S662S662-N664 VanDerWaalsContact C-N 3.31Å; S662-N664 PolarHBondContact O-N 2.8Å
665I64.3Low73.2Confident13 Ų1372 Ų727%0.06738%0.384CS..Hα-helixtrans-77.8-27.8-175.6-71.3166.5000112Y657 A660 S662 T663 H667 K668 I669Y657-I665 HydrophobicContact CG-CG2 4.47Å; A660-I665 HydrophobicContact CB-CD1 3.85Å; S662-I665 WeakPolarHBondContact O-CB 3.22Å; S662-I665 PolarHBondContact O-N 3.38Å; S662-I665 WeakPolarHBondContact OG-CD1 3.31Å; S662-I665 VanDerWaalsContact OG-CG1 3.31Å; S662-I665 WeakPolarHBondContact OG-CG1 3.39Å; T663-I665 VanDerWaalsContact C-N 3.3Å; T663-I665 PolarHBondContact O-N 3.17Å; I665-H667 VanDerWaalsContact C-N 3.29Å; I665-H667 PolarHBondContact O-N 2.94Å; I665-K668 WeakPolarHBondContact O-CB 3.33Å; I665-K668 PolarHBondContact O-N 3.41Å; I665-K668 VanDerWaalsContact O-N 3.14Å; I665-I669 HydrophobicContact CG2-CD1 3.86Å; I665-I669 HydrophobicContact CG2-CG1 4.23Å; I665-I669 WeakPolarHBondContact O-CG1 3.4Å; I665-I669 PolarHBondContact O-N 3.47Å
666N68.3Low73Confident90 Ų9073.1 Ų73.148%0.48138%0.384SS..Hα-helixtrans-63.5-36.7176.6-76.8-9.2000112.1I669 I670N666-I669 PolarHBondContact O-N 3.5Å; N666-I670 VanDerWaalsContact O-CG1 3.31Å; N666-I670 WeakPolarHBondContact O-CG1 3.47Å; N666-I670 PolarHBondContact O-N 3.1Å
667H72.3Confident72.5Confident116 Ų11677.8 Ų77.854%0.53740%0.401SS..Hα-helixtrans-65.4-42.7173.6-124.7-73.7000111.2I665 I669 I670 D671I665-H667 VanDerWaalsContact C-N 3.29Å; I665-H667 PolarHBondContact O-N 2.94Å; H667-I669 VanDerWaalsContact C-N 3.27Å; H667-I669 PolarHBondContact O-N 3.48Å; H667-I670 PolarHBondContact O-N 3.48Å; H667-D671 IonicContact ND1-OD1 3.72Å; H667-D671 IonicContact ND1-OD2 3.85Å; H667-D671 WeakPolarHBondContact O-CB 3.48Å; H667-D671 VanDerWaalsContact O-CG 3.24Å; H667-D671 PolarHBondContact O-N 2.9Å
668K73.4Confident72.4Confident99 Ų9982.5 Ų82.543%0.4342%0.419SS..Hα-helixtrans-60.1-35.8173.4-84.4-171.3171.7-172.60112.8I665 M672I665-K668 WeakPolarHBondContact O-CB 3.33Å; I665-K668 PolarHBondContact O-N 3.41Å; I665-K668 VanDerWaalsContact O-N 3.14Å; K668-M672 WeakPolarHBondContact O-CB 2.93Å; K668-M672 PolarHBondContact O-N 3.01Å
669I75.2Confident72.1Confident12 Ų1280.3 Ų80.36%0.06240%0.403CS..Hα-helixtrans-72-42.7176.8-66.4167.6000110.7I665 N666 H667 M672 Y673I665-I669 HydrophobicContact CG2-CD1 3.86Å; I665-I669 HydrophobicContact CG2-CG1 4.23Å; I665-I669 WeakPolarHBondContact O-CG1 3.4Å; I665-I669 PolarHBondContact O-N 3.47Å; N666-I669 PolarHBondContact O-N 3.5Å; H667-I669 VanDerWaalsContact C-N 3.27Å; H667-I669 PolarHBondContact O-N 3.48Å; I669-M672 PolarHBondContact O-N 3.46Å; I669-Y673 HydrophobicContact CG2-CD2 3.54Å; I669-Y673 HydrophobicContact CG2-CE2 3.28Å; I669-Y673 WeakPolarHBondContact O-CB 3.42Å; I669-Y673 VanDerWaalsContact O-CD2 3.32Å; I669-Y673 WeakPolarHBondContact O-CD2 3.19Å; I669-Y673 PolarHBondContact O-N 2.9Å
670I74.7Confident72Confident32 Ų3280.8 Ų80.816%0.16441%0.41CS..Hα-helixtrans-63.8-47.6176.5-68.5165.6000110.1N666 H667 M672 Y673 T674 M685N666-I670 VanDerWaalsContact O-CG1 3.31Å; N666-I670 WeakPolarHBondContact O-CG1 3.47Å; N666-I670 PolarHBondContact O-N 3.1Å; H667-I670 PolarHBondContact O-N 3.48Å; I670-M672 PolarHBondContact O-N 2.87Å; I670-Y673 CarbonylContact O-C 3.57Å; I670-Y673 PolarHBondContact O-N 2.87Å; I670-Y673 VanDerWaalsContact O-N 3.14Å; I670-T674 HydrophobicContact CG2-CG2 4.39Å; I670-T674 WeakPolarHBondContact O-CG2 3.06Å; I670-T674 PolarHBondContact O-N 3.33Å; I670-T674 PolarHBondContact O-OG1 3.46Å; I670-M685 HydrophobicContact CD1-CB 4.39Å; I670-M685 HydrophobicContact CG1-CB 4.21Å
671D78.8Confident72.3Confident79 Ų7983.8 Ų83.842%0.42242%0.422SS..Hα-helixtrans-59.5-47.9176.5-69.7-20000110.2H667 Y673 T674 D675H667-D671 IonicContact ND1-OD1 3.72Å; H667-D671 IonicContact ND1-OD2 3.85Å; H667-D671 WeakPolarHBondContact O-CB 3.48Å; H667-D671 VanDerWaalsContact O-CG 3.24Å; H667-D671 PolarHBondContact O-N 2.9Å; D671-Y673 VanDerWaalsContact C-N 3.33Å; D671-Y673 PolarHBondContact O-N 3.26Å; D671-T674 VanDerWaalsContact CA-OG1 3.27Å; D671-T674 WeakPolarHBondContact CA-OG1 3.42Å; D671-T674 PolarHBondContact O-N 3.31Å; D671-T674 PolarHBondContact O-OG1 3.08Å; D671-D675 VanDerWaalsContact O-CB 3.3Å; D671-D675 WeakPolarHBondContact O-CB 3.48Å; D671-D675 PolarHBondContact O-N 2.97Å
672M81.7Confident72.9Confident29 Ų2976.5 Ų76.514%0.14338%0.384CS..Hα-helixtrans-58-42.4174.4-178.1-171.47500111.7V654 K668 I669 I670 D675 L676V654-M672 HydrophobicContact CG2-CE 3.63Å; K668-M672 WeakPolarHBondContact O-CB 2.93Å; K668-M672 PolarHBondContact O-N 3.01Å; I669-M672 PolarHBondContact O-N 3.46Å; I670-M672 PolarHBondContact O-N 2.87Å; M672-D675 PolarHBondContact O-N 3Å; M672-L676 HydrophobicContact CG-CD1 3.81Å; M672-L676 HydrophobicContact CG-CG 4.42Å; M672-L676 VanDerWaalsContact O-CB 3.24Å; M672-L676 WeakPolarHBondContact O-CB 3.32Å; M672-L676 WeakPolarHBondContact O-CD1 3.1Å; M672-L676 WeakPolarHBondContact O-CG 3.38Å; M672-L676 PolarHBondContact O-N 3.46Å
673Y83.8Confident73.6Confident43 Ų4375.6 Ų75.617%0.16937%0.372CS..Hα-helixtrans-72.6-36.4178.2-76.4-40.7000113.5I669 I670 D671 D675 L676 R677 R678 E681I669-Y673 HydrophobicContact CG2-CD2 3.54Å; I669-Y673 HydrophobicContact CG2-CE2 3.28Å; I669-Y673 WeakPolarHBondContact O-CB 3.42Å; I669-Y673 VanDerWaalsContact O-CD2 3.32Å; I669-Y673 WeakPolarHBondContact O-CD2 3.19Å; I669-Y673 PolarHBondContact O-N 2.9Å; I670-Y673 CarbonylContact O-C 3.57Å; I670-Y673 PolarHBondContact O-N 2.87Å; I670-Y673 VanDerWaalsContact O-N 3.14Å; D671-Y673 VanDerWaalsContact C-N 3.33Å; D671-Y673 PolarHBondContact O-N 3.26Å; Y673-D675 VanDerWaalsContact C-N 3.34Å; Y673-L676 HydrophobicContact CD1-CD1 4.42Å; Y673-L676 CarbonylContact O-C 3.51Å; Y673-L676 PolarHBondContact O-N 2.85Å; Y673-R677 PolarHBondContact O-N 3.05Å; Y673-R678 HydrophobicContact CD1-CB 4.38Å; Y673-R678 PolarHBondContact O-N 3.44Å; Y673-E681 WeakPolarHBondContact CE1-OE2 3.27Å
674T78Confident74.4Confident45 Ų4576.2 Ų76.228%0.27637%0.365SS..Hα-helixtrans-65.9-39.2172.546.90000111.1I670 D671 R677 A682I670-T674 HydrophobicContact CG2-CG2 4.39Å; I670-T674 WeakPolarHBondContact O-CG2 3.06Å; I670-T674 PolarHBondContact O-N 3.33Å; I670-T674 PolarHBondContact O-OG1 3.46Å; D671-T674 VanDerWaalsContact CA-OG1 3.27Å; D671-T674 WeakPolarHBondContact CA-OG1 3.42Å; D671-T674 PolarHBondContact O-N 3.31Å; D671-T674 PolarHBondContact O-OG1 3.08Å; T674-R677 WeakPolarHBondContact O-CA 3.47Å; T674-R677 PolarHBondContact O-N 3.21Å; T674-A682 HydrophobicContact CG2-CB 4.01Å
675D77.3Confident74.8Confident134 Ų13473.4 Ų73.472%0.71735%0.349SS*.Hα-helixtrans-67.2-38.1175-72-13.6000111.1D671 M672 Y673 R677D671-D675 VanDerWaalsContact O-CB 3.3Å; D671-D675 WeakPolarHBondContact O-CB 3.48Å; D671-D675 PolarHBondContact O-N 2.97Å; M672-D675 PolarHBondContact O-N 3Å; Y673-D675 VanDerWaalsContact C-N 3.34Å; D675-R677 PolarHBondContact O-N 3.13Å
676L80.6Confident74.9Confident67 Ų6774.5 Ų74.535%0.35136%0.355SS..THydrogen-bonded Turntrans-76.41.6171-66.9170.7000113.5F650 M672 Y673 R678F650-L676 HydrophobicContact CD1-CD1 4.45Å; F650-L676 HydrophobicContact CE1-CD2 4.45Å; F650-L676 HydrophobicContact CE2-CD2 4.43Å; F650-L676 HydrophobicContact CZ-CD2 4.24Å; M672-L676 HydrophobicContact CG-CD1 3.81Å; M672-L676 HydrophobicContact CG-CG 4.42Å; M672-L676 VanDerWaalsContact O-CB 3.24Å; M672-L676 WeakPolarHBondContact O-CB 3.32Å; M672-L676 WeakPolarHBondContact O-CD1 3.1Å; M672-L676 WeakPolarHBondContact O-CG 3.38Å; M672-L676 PolarHBondContact O-N 3.46Å; Y673-L676 HydrophobicContact CD1-CD1 4.42Å; Y673-L676 CarbonylContact O-C 3.51Å; Y673-L676 PolarHBondContact O-N 2.85Å; L676-R678 VanDerWaalsContact C-N 3.31Å; L676-R678 HydrophobicContact CB-CG 4.45Å; L676-R678 PolarHBondContact O-N 2.83Å
677R72.8Confident74.5Confident161 Ų16178.5 Ų78.561%0.60837%0.368SS*.THydrogen-bonded Turntrans60.928.7177.7-56.6176.1177.1-173.8-2.1115.7Y673 T674 D675 F679Y673-R677 PolarHBondContact O-N 3.05Å; T674-R677 WeakPolarHBondContact O-CA 3.47Å; T674-R677 PolarHBondContact O-N 3.21Å; D675-R677 PolarHBondContact O-N 3.13Å; R677-F679 VanDerWaalsContact C-N 3.3Å; R677-F679 HydrophobicContact CB-CE2 4.02Å; R677-F679 HydrophobicContact CG-CE2 4.4Å; R677-F679 PolarHBondContact O-N 3.48Å
678R79Confident73.9Confident119 Ų11977.2 Ų77.245%0.44937%0.372SS..  trans-90.864.6176.2-60.6-164.8175.1-170.3-3.8110.5Y673 L676 N680 E681 A682Y673-R678 HydrophobicContact CD1-CB 4.38Å; Y673-R678 PolarHBondContact O-N 3.44Å; L676-R678 VanDerWaalsContact C-N 3.31Å; L676-R678 HydrophobicContact CB-CG 4.45Å; L676-R678 PolarHBondContact O-N 2.83Å; R678-N680 PolarHBondContact O-N 2.98Å; R678-E681 HydrophobicContact CB-CB 4.12Å; R678-E681 HydrophobicContact CB-CG 4.31Å; R678-E681 VanDerWaalsContact CD-CD 3.45Å; R678-E681 WeakPolarHBondContact CD-OE2 3.45Å; R678-E681 IonicContact CZ-OE1 2.69Å; R678-E681 IonicContact CZ-OE2 2.81Å; R678-E681 IonicContact NE-OE2 2.78Å; R678-E681 IonicContact NH1-OE1 3.61Å; R678-E681 PolarHBondContact NH1-OE1 3.1Å; R678-E681 VanDerWaalsContact NH1-OE1 3.08Å; R678-E681 IonicContact NH1-OE2 2.68Å; R678-E681 PolarHBondContact NH1-OE2 2.89Å; R678-E681 VanDerWaalsContact NH1-OE2 3.07Å; R678-E681 PolarHBondContact O-N 3.12Å; R678-E681 VanDerWaalsContact O-N 3.12Å; R678-A682 PolarHBondContact O-N 2.78Å
679F71.6Confident73.1Confident29 Ų2977.9 Ų77.913%0.12738%0.38CS..Hα-helixtrans-61.9-27.3-174-67-76000114.2R677 H683 L698 W705R677-F679 VanDerWaalsContact C-N 3.3Å; R677-F679 HydrophobicContact CB-CE2 4.02Å; R677-F679 HydrophobicContact CG-CE2 4.4Å; R677-F679 PolarHBondContact O-N 3.48Å; F679-H683 VanDerWaalsContact O-CB 3.27Å; F679-H683 WeakPolarHBondContact O-CB 3.47Å; F679-H683 PolarHBondContact O-N 3.37Å; F679-L698 HydrophobicContact CD1-CD2 4.42Å; F679-W705 HydrophobicContact CD2-CD2 4.14Å; F679-W705 HydrophobicContact CD2-CG 4.44Å; F679-W705 HydrophobicContact CD2-CZ2 4.47Å; F679-W705 HydrophobicContact CE2-CB 4.35Å; F679-W705 AromaticContact CE2-CD1 3.58Å; F679-W705 AromaticContact CE2-CD2 3.71Å; F679-W705 HydrophobicContact CE2-CD2 3.71Å; F679-W705 AromaticContact CE2-CE2 3.67Å; F679-W705 HydrophobicContact CE2-CE3 4.48Å; F679-W705 AromaticContact CE2-CG 3.61Å; F679-W705 HydrophobicContact CE2-CG 3.61Å; F679-W705 HydrophobicContact CE2-CZ2 4.36Å; F679-W705 AromaticContact CE2-NE1 3.62Å; F679-W705 HydrophobicContact CZ-CB 4.33Å; F679-W705 AromaticContact CZ-CD1 3.95Å; F679-W705 AromaticContact CZ-CG 3.99Å; F679-W705 HydrophobicContact CZ-CG 3.99Å
680N74.1Confident71.8Confident135 Ų13585.1 Ų85.172%0.72242%0.419SS*.Hα-helixtrans-70.5-46174.3-67.3-19.2000111.4R678 A682 H683 E684R678-N680 PolarHBondContact O-N 2.98Å; N680-A682 VanDerWaalsContact C-N 3.28Å; N680-A682 PolarHBondContact O-N 3.17Å; N680-H683 PolarHBondContact O-N 2.97Å; N680-E684 PolarHBondContact O-N 3.03Å
681E77.6Confident71.1Confident70 Ų7089 Ų8933%0.32744%0.44SS..Hα-helixtrans-63.9-36.1174.9-64.5175.3-166.600110.2Y673 R678 M685Y673-E681 WeakPolarHBondContact CE1-OE2 3.27Å; R678-E681 HydrophobicContact CB-CB 4.12Å; R678-E681 HydrophobicContact CB-CG 4.31Å; R678-E681 VanDerWaalsContact CD-CD 3.45Å; R678-E681 WeakPolarHBondContact CD-OE2 3.45Å; R678-E681 IonicContact CZ-OE1 2.69Å; R678-E681 IonicContact CZ-OE2 2.81Å; R678-E681 IonicContact NE-OE2 2.78Å; R678-E681 IonicContact NH1-OE1 3.61Å; R678-E681 PolarHBondContact NH1-OE1 3.1Å; R678-E681 VanDerWaalsContact NH1-OE1 3.08Å; R678-E681 IonicContact NH1-OE2 2.68Å; R678-E681 PolarHBondContact NH1-OE2 2.89Å; R678-E681 VanDerWaalsContact NH1-OE2 3.07Å; R678-E681 PolarHBondContact O-N 3.12Å; R678-E681 VanDerWaalsContact O-N 3.12Å; E681-M685 WeakPolarHBondContact O-CG 3.45Å; E681-M685 PolarHBondContact O-N 3.27Å; E681-M685 VanDerWaalsContact O-N 3.16Å
682A73.1Confident70.1Confident1 Ų192 Ų921%0.00846%0.455CS..Hα-helixtrans-67.9-42.7173.200000112.9T674 R678 N680 M685 L686T674-A682 HydrophobicContact CG2-CB 4.01Å; R678-A682 PolarHBondContact O-N 2.78Å; N680-A682 VanDerWaalsContact C-N 3.28Å; N680-A682 PolarHBondContact O-N 3.17Å; A682-M685 PolarHBondContact O-N 2.63Å; A682-L686 WeakPolarHBondContact O-CB 3.21Å; A682-L686 PolarHBondContact O-N 3.09Å
683H71.6Confident69.3Low47 Ų4796.8 Ų96.822%0.21848%0.481CS..Hα-helixtrans-66.8-34175.5-91.7-40.1000112.7F679 N680 L686 K687F679-H683 VanDerWaalsContact O-CB 3.27Å; F679-H683 WeakPolarHBondContact O-CB 3.47Å; F679-H683 PolarHBondContact O-N 3.37Å; N680-H683 PolarHBondContact O-N 2.97Å; H683-L686 PolarHBondContact O-N 3.47Å; H683-K687 PolarHBondContact O-N 2.87Å
684E73.6Confident68.4Low148 Ų14899.7 Ų99.769%0.69250%0.496SS*.Hα-helixtrans-65.2-42.1173.2-84.5-170.8152.400111.8N680 L686N680-E684 PolarHBondContact O-N 3.03Å; E684-L686 VanDerWaalsContact C-N 3.32Å; E684-L686 PolarHBondContact O-N 2.81Å
685M68.3Low67.8Low72 Ų72102.3 Ų102.336%0.35551%0.505SS..Hα-helixtrans-65.8-34.6173.7-67.8-62.6-7000111.8I670 E681 A682 S688I670-M685 HydrophobicContact CD1-CB 4.39Å; I670-M685 HydrophobicContact CG1-CB 4.21Å; E681-M685 WeakPolarHBondContact O-CG 3.45Å; E681-M685 PolarHBondContact O-N 3.27Å; E681-M685 VanDerWaalsContact O-N 3.16Å; A682-M685 PolarHBondContact O-N 2.63Å; M685-S688 PolarHBondContact O-OG 2.93Å
686L66.7Low67.4Low36 Ų36103.3 Ų103.319%0.18850%0.503CS..Hα-helixtrans-77.8-31.5179.6-102155.1000115.1A682 H683 E684 S688 N689 E694 L698A682-L686 WeakPolarHBondContact O-CB 3.21Å; A682-L686 PolarHBondContact O-N 3.09Å; H683-L686 PolarHBondContact O-N 3.47Å; E684-L686 VanDerWaalsContact C-N 3.32Å; E684-L686 PolarHBondContact O-N 2.81Å; L686-S688 PolarHBondContact O-N 3.48Å; L686-N689 CarbonylContact O-C 3.53Å; L686-N689 PolarHBondContact O-N 3.34Å; L686-E694 WeakPolarHBondContact CD2-OE2 3.49Å; L686-L698 HydrophobicContact CD1-CD1 3.38Å
687K61.3Low67.1Low174 Ų174105.4 Ų105.476%0.75751%0.514SS*.THydrogen-bonded Turntrans-57.7-17.8175.3-90.3-179.8178.21740113.4H683 N689H683-K687 PolarHBondContact O-N 2.87Å; K687-N689 VanDerWaalsContact C-N 3.31Å
688S59.8Low67.1Low89 Ų8998.9 Ų98.962%0.62249%0.491SS*.THydrogen-bonded Turntrans-74.8-17173.969.90000113.9M685 L686M685-S688 PolarHBondContact O-OG 2.93Å; L686-S688 PolarHBondContact O-N 3.48Å
689N54.5Low66.9Low113 Ų11396.8 Ų96.860%0.60449%0.488SS*.SBendtrans-126.2106.1-178.1-67.7-26.4000110.8L686 K687 D691L686-N689 CarbonylContact O-C 3.53Å; L686-N689 PolarHBondContact O-N 3.34Å; K687-N689 VanDerWaalsContact C-N 3.31Å; N689-D691 PolarHBondContact O-N 3.46Å; N689-D691 VanDerWaalsContact O-N 3.15Å
690N49.5Very low67.2Low164 Ų16498 Ų9888%0.87750%0.498SS*.  trans-76.491.9-173.4-80.9-31.5000114.2
691D58.7Low67.3Low113 Ų11397.8 Ų97.860%0.60449%0.49SS*.  trans-129.4117.1171.2-113.7-35000113.9N689 E694 H695N689-D691 PolarHBondContact O-N 3.46Å; N689-D691 VanDerWaalsContact O-N 3.15Å; D691-E694 HydrophobicContact CB-CB 4.47Å; D691-H695 PolarHBondContact O-N 3.45Å
692I59Low67.5Low144 Ų14496.1 Ų96.174%0.73848%0.484SS*.Hα-helixtrans-75.5-31.8-170.8-63.6166.7000112.6H695 K696I692-H695 WeakPolarHBondContact O-CB 3.29Å; I692-H695 PolarHBondContact O-N 3.13Å; I692-K696 PolarHBondContact O-N 3.24Å
693N64.2Low67.6Low129 Ų12996.2 Ų96.269%0.6948%0.484SS*.Hα-helixtrans-73.5-38.8179.7-76.9-23.6000111.9H695 K696 L697N693-H695 PolarHBondContact O-N 2.97Å; N693-K696 PolarHBondContact O-N 3.05Å; N693-L697 PolarHBondContact O-N 2.86Å; N693-L697 VanDerWaalsContact O-N 3.11Å
694E64.7Low68.1Low103 Ų10397.5 Ų97.548%0.48149%0.493SS..Hα-helixtrans-61-33.4170.7-76.6-164.6152.900110.7L686 D691 L697 L698L686-E694 WeakPolarHBondContact CD2-OE2 3.49Å; D691-E694 HydrophobicContact CB-CB 4.47Å; E694-L697 CarbonylContact O-C 3.54Å; E694-L697 PolarHBondContact O-N 3.06Å; E694-L698 VanDerWaalsContact O-CB 3.3Å; E694-L698 WeakPolarHBondContact O-CB 3.49Å; E694-L698 PolarHBondContact O-N 3.06Å
695H66.4Low68.2Low101 Ų10194 Ų9447%0.46847%0.474SS..Hα-helixtrans-69.5-38.7178.3-154.5-52.4000114.1D691 I692 N693 L697 L699D691-H695 PolarHBondContact O-N 3.45Å; I692-H695 WeakPolarHBondContact O-CB 3.29Å; I692-H695 PolarHBondContact O-N 3.13Å; N693-H695 PolarHBondContact O-N 2.97Å; H695-L697 VanDerWaalsContact C-N 3.33Å; H695-L699 WeakPolarHBondContact O-CB 3.4Å; H695-L699 PolarHBondContact O-N 2.68Å
696K68.1Low68.7Low154 Ų15490.9 Ų90.967%0.6746%0.459SS*.Hα-helixtrans-65-39.6171.3-102.6-173.1177.7-175.30111I692 N693 L699 V700I692-K696 PolarHBondContact O-N 3.24Å; N693-K696 PolarHBondContact O-N 3.05Å; K696-L699 PolarHBondContact O-N 2.9Å; K696-V700 WeakPolarHBondContact O-CG2 3.48Å; K696-V700 PolarHBondContact O-N 3.42Å
697L74Confident69.3Low111 Ų11193 Ų9358%0.58147%0.466SS*.Hα-helixtrans-71.3-35.2179.2-143.5122000111.8N693 E694 H695 K701N693-L697 PolarHBondContact O-N 2.86Å; N693-L697 VanDerWaalsContact O-N 3.11Å; E694-L697 CarbonylContact O-C 3.54Å; E694-L697 PolarHBondContact O-N 3.06Å; H695-L697 VanDerWaalsContact C-N 3.33Å; L697-K701 WeakPolarHBondContact O-CB 2.86Å; L697-K701 WeakPolarHBondContact O-CG 3.44Å; L697-K701 PolarHBondContact O-N 3.26Å
698L74.1Confident69.9Low25 Ų2587.9 Ų87.913%0.13145%0.452CS..Hα-helixtrans-69.4-36.6170.6-125152.5000110.9F679 L686 E694 K701 N702F679-L698 HydrophobicContact CD1-CD2 4.42Å; L686-L698 HydrophobicContact CD1-CD1 3.38Å; E694-L698 VanDerWaalsContact O-CB 3.3Å; E694-L698 WeakPolarHBondContact O-CB 3.49Å; E694-L698 PolarHBondContact O-N 3.06Å; L698-K701 CarbonylContact O-C 3.2Å; L698-K701 PolarHBondContact O-N 3.29Å; L698-N702 WeakPolarHBondContact O-CA 3.04Å; L698-N702 WeakPolarHBondContact O-CB 3.45Å; L698-N702 PolarHBondContact O-N 3.07Å
699L74Confident70.8Confident75 Ų7586.2 Ų86.239%0.39344%0.439SS..Hα-helixtrans-65.8-38.6173.4-99.2158.3000112.3H695 K696 N702 A703H695-L699 WeakPolarHBondContact O-CB 3.4Å; H695-L699 PolarHBondContact O-N 2.68Å; K696-L699 PolarHBondContact O-N 2.9Å; L699-N702 CarbonylContact O-C 3.48Å; L699-N702 PolarHBondContact O-N 2.98Å; L699-A703 WeakPolarHBondContact O-CB 3.37Å; L699-A703 PolarHBondContact O-N 3Å
700V77.2Confident71.8Confident55 Ų5585.8 Ų85.833%0.33344%0.437SS..Hα-helixtrans-68.3-45170.8175.10000110.2K696 N702 A703 D704K696-V700 WeakPolarHBondContact O-CG2 3.48Å; K696-V700 PolarHBondContact O-N 3.42Å; V700-N702 PolarHBondContact O-N 2.95Å; V700-A703 CarbonylContact O-C 3.46Å; V700-A703 PolarHBondContact O-N 3.36Å; V700-D704 VanDerWaalsContact O-CB 3.24Å; V700-D704 WeakPolarHBondContact O-CB 3.33Å; V700-D704 PolarHBondContact O-N 3.34Å
701K77.3Confident73.4Confident129 Ų12983.4 Ų83.456%0.56142%0.42SS*.Hα-helixtrans-62-30.5173.9-80.7-176175.4-1780112.9L697 L698 W705L697-K701 WeakPolarHBondContact O-CB 2.86Å; L697-K701 WeakPolarHBondContact O-CG 3.44Å; L697-K701 PolarHBondContact O-N 3.26Å; L698-K701 CarbonylContact O-C 3.2Å; L698-K701 PolarHBondContact O-N 3.29Å; K701-W705 WeakPolarHBondContact O-CB 3.41Å; K701-W705 PolarHBondContact O-N 2.89Å
702N81.4Confident74.6Confident36 Ų3681 Ų8119%0.19340%0.403CS..Hα-helixtrans-85.3-28.1179.2-154.816.8000110.9L698 L699 V700 W705 A706L698-N702 WeakPolarHBondContact O-CA 3.04Å; L698-N702 WeakPolarHBondContact O-CB 3.45Å; L698-N702 PolarHBondContact O-N 3.07Å; L699-N702 CarbonylContact O-C 3.48Å; L699-N702 PolarHBondContact O-N 2.98Å; V700-N702 PolarHBondContact O-N 2.95Å; N702-W705 CarbonylContact O-C 3.5Å; N702-W705 PolarHBondContact O-N 3.09Å; N702-A706 WeakPolarHBondContact O-CA 3.29Å; N702-A706 WeakPolarHBondContact O-CB 3.46Å; N702-A706 PolarHBondContact O-N 3.37Å
703A76.1Confident75.8Confident2 Ų280.8 Ų80.82%0.01739%0.393CS..Hα-helixtrans-72.6-39.7167.400000110.6L699 V700 W705 A706 K707 M718 Y719L699-A703 WeakPolarHBondContact O-CB 3.37Å; L699-A703 PolarHBondContact O-N 3Å; V700-A703 CarbonylContact O-C 3.46Å; V700-A703 PolarHBondContact O-N 3.36Å; A703-W705 VanDerWaalsContact C-N 3.28Å; A703-A706 PolarHBondContact O-N 3.01Å; A703-K707 WeakPolarHBondContact O-CB 3.42Å; A703-K707 PolarHBondContact O-N 3.16Å; A703-M718 HydrophobicContact CB-CB 4.03Å; A703-M718 HydrophobicContact CB-SD 4.15Å; A703-Y719 HydrophobicContact CB-CE1 4.18Å
704D80.9Confident76.7Confident74 Ų7477.6 Ų77.640%0.39638%0.378SS..Hα-helixtrans-64.7-36170.3-66.8-22.4000110.1V700 K707 S708 Y719V700-D704 VanDerWaalsContact O-CB 3.24Å; V700-D704 WeakPolarHBondContact O-CB 3.33Å; V700-D704 PolarHBondContact O-N 3.34Å; D704-K707 WeakPolarHBondContact O-CB 3.46Å; D704-S708 WeakPolarHBondContact O-CB 3.49Å; D704-S708 PolarHBondContact O-N 3.11Å; D704-Y719 PolarHBondContact OD1-OH 3.21Å
705W75.2Confident77.6Confident76 Ų7672.7 Ų72.729%0.28836%0.355SS..Hα-helixtrans-74.5-40.9173.1-176.379.2000112.4F679 K701 N702 A703 K707 S708 T709F679-W705 HydrophobicContact CD2-CD2 4.14Å; F679-W705 HydrophobicContact CD2-CG 4.44Å; F679-W705 HydrophobicContact CD2-CZ2 4.47Å; F679-W705 HydrophobicContact CE2-CB 4.35Å; F679-W705 AromaticContact CE2-CD1 3.58Å; F679-W705 AromaticContact CE2-CD2 3.71Å; F679-W705 HydrophobicContact CE2-CD2 3.71Å; F679-W705 AromaticContact CE2-CE2 3.67Å; F679-W705 HydrophobicContact CE2-CE3 4.48Å; F679-W705 AromaticContact CE2-CG 3.61Å; F679-W705 HydrophobicContact CE2-CG 3.61Å; F679-W705 HydrophobicContact CE2-CZ2 4.36Å; F679-W705 AromaticContact CE2-NE1 3.62Å; F679-W705 HydrophobicContact CZ-CB 4.33Å; F679-W705 AromaticContact CZ-CD1 3.95Å; F679-W705 AromaticContact CZ-CG 3.99Å; F679-W705 HydrophobicContact CZ-CG 3.99Å; K701-W705 WeakPolarHBondContact O-CB 3.41Å; K701-W705 PolarHBondContact O-N 2.89Å; N702-W705 CarbonylContact O-C 3.5Å; N702-W705 PolarHBondContact O-N 3.09Å; A703-W705 VanDerWaalsContact C-N 3.28Å; W705-K707 PolarHBondContact O-N 3.3Å; W705-S708 VanDerWaalsContact CA-OG 3.28Å; W705-S708 WeakPolarHBondContact CA-OG 3.41Å; W705-S708 CarbonylContact O-C 3.56Å; W705-S708 VanDerWaalsContact O-C 3.28Å; W705-S708 WeakPolarHBondContact O-CA 3.15Å; W705-S708 VanDerWaalsContact O-CB 3.31Å; W705-S708 WeakPolarHBondContact O-CB 3.42Å; W705-S708 PolarHBondContact O-N 2.72Å; W705-S708 PolarHBondContact O-OG 2.88Å; W705-T709 HydrophobicContact CD2-CG2 3.81Å; W705-T709 HydrophobicContact CE3-CG2 4.14Å; W705-T709 HydrophobicContact CH2-CG2 3.67Å; W705-T709 HydrophobicContact CZ2-CG2 3.28Å; W705-T709 HydrophobicContact CZ3-CG2 4.07Å; W705-T709 PolarHBondContact O-N 3.12Å; W705-T709 PolarHBondContact O-OG1 2.98Å
706A79.3Confident78.5Confident5 Ų568 Ų684%0.04133%0.334CS..Hα-helixtrans-61.1-39.2173.900000109.9N702 A703 T709 N710 E711 A715N702-A706 WeakPolarHBondContact O-CA 3.29Å; N702-A706 WeakPolarHBondContact O-CB 3.46Å; N702-A706 PolarHBondContact O-N 3.37Å; A703-A706 PolarHBondContact O-N 3.01Å; A706-T709 VanDerWaalsContact CA-OG1 3.31Å; A706-T709 WeakPolarHBondContact CA-OG1 3.34Å; A706-T709 CarbonylContact O-C 3.54Å; A706-T709 PolarHBondContact O-N 3.42Å; A706-T709 PolarHBondContact O-OG1 3.26Å; A706-N710 PolarHBondContact O-N 3.11Å; A706-E711 HydrophobicContact CB-CB 4.24Å; A706-E711 WeakPolarHBondContact O-CA 3.34Å; A706-E711 PolarHBondContact O-N 3.36Å; A706-A715 HydrophobicContact CB-CB 4.34Å
707K79Confident79.2Confident81 Ų8167.3 Ų67.335%0.35233%0.331SS..Hα-helixtrans-61.9-41.3166.6-176.3-175.5-179.6176.80111.2A703 D704 W705 T709 N710 Y712 A715 L731A703-K707 WeakPolarHBondContact O-CB 3.42Å; A703-K707 PolarHBondContact O-N 3.16Å; D704-K707 WeakPolarHBondContact O-CB 3.46Å; W705-K707 PolarHBondContact O-N 3.3Å; K707-T709 VanDerWaalsContact C-N 3.29Å; K707-T709 PolarHBondContact O-N 3.09Å; K707-N710 PolarHBondContact O-N 3.25Å; K707-Y712 HydrophobicContact CB-CD1 4.45Å; K707-Y712 HydrophobicContact CG-CD1 4.1Å; K707-Y712 HydrophobicContact CG-CE1 4.03Å; K707-Y712 WeakPolarHBondContact O-CE1 3.28Å; K707-A715 HydrophobicContact CB-CB 4.34Å; K707-L731 HydrophobicContact CD-CD1 4.18Å
708S74.9Confident79.7Confident66 Ų6665 Ų6546%0.46232%0.318SS..Hα-helixtrans-69.8-21.4175.486.20000114.4D704 W705D704-S708 WeakPolarHBondContact O-CB 3.49Å; D704-S708 PolarHBondContact O-N 3.11Å; W705-S708 VanDerWaalsContact CA-OG 3.28Å; W705-S708 WeakPolarHBondContact CA-OG 3.41Å; W705-S708 CarbonylContact O-C 3.56Å; W705-S708 VanDerWaalsContact O-C 3.28Å; W705-S708 WeakPolarHBondContact O-CA 3.15Å; W705-S708 VanDerWaalsContact O-CB 3.31Å; W705-S708 WeakPolarHBondContact O-CB 3.42Å; W705-S708 PolarHBondContact O-N 2.72Å; W705-S708 PolarHBondContact O-OG 2.88Å
709T77.5Confident80.3Confident54 Ų5464.2 Ų64.233%0.33131%0.313SS..THydrogen-bonded Turntrans-102.510.6175.950.30000113.4W705 A706 K707 E711W705-T709 HydrophobicContact CD2-CG2 3.81Å; W705-T709 HydrophobicContact CE3-CG2 4.14Å; W705-T709 HydrophobicContact CH2-CG2 3.67Å; W705-T709 HydrophobicContact CZ2-CG2 3.28Å; W705-T709 HydrophobicContact CZ3-CG2 4.07Å; W705-T709 PolarHBondContact O-N 3.12Å; W705-T709 PolarHBondContact O-OG1 2.98Å; A706-T709 VanDerWaalsContact CA-OG1 3.31Å; A706-T709 WeakPolarHBondContact CA-OG1 3.34Å; A706-T709 CarbonylContact O-C 3.54Å; A706-T709 PolarHBondContact O-N 3.42Å; A706-T709 PolarHBondContact O-OG1 3.26Å; K707-T709 VanDerWaalsContact C-N 3.29Å; K707-T709 PolarHBondContact O-N 3.09Å; T709-E711 VanDerWaalsContact C-N 3.28Å; T709-E711 PolarHBondContact O-N 3.43Å
710N76.9Confident80.8Confident105 Ų10563.3 Ų63.356%0.56131%0.308SS*.THydrogen-bonded Turntrans68.117.7175.5-51.9-14.9000115.7A706 K707 Y712A706-N710 PolarHBondContact O-N 3.11Å; K707-N710 PolarHBondContact O-N 3.25Å; N710-Y712 VanDerWaalsContact CA-CE2 3.42Å; N710-Y712 VanDerWaalsContact CA-CZ 3.49Å; N710-Y712 HydrophobicContact CB-CD2 4.18Å; N710-Y712 HydrophobicContact CB-CE2 3.5Å; N710-Y712 VanDerWaalsContact CB-CE2 3.5Å; N710-Y712 WeakPolarHBondContact O-CD2 3.24Å; N710-Y712 PolarHBondContact O-N 3.42Å; N710-Y712 VanDerWaalsContact O-N 3.12Å; N710-Y712 PolarHBondContact OD1-OH 3.07Å
711E83Confident80.8Confident113 Ų11367.4 Ų67.453%0.52833%0.327SS..  trans-85.965.1169.3-79.5-164.4-173.800111.5A706 T709 T714 A715A706-E711 HydrophobicContact CB-CB 4.24Å; A706-E711 WeakPolarHBondContact O-CA 3.34Å; A706-E711 PolarHBondContact O-N 3.36Å; T709-E711 VanDerWaalsContact C-N 3.28Å; T709-E711 PolarHBondContact O-N 3.43Å; E711-T714 PolarHBondContact O-OG1 3.2Å; E711-A715 PolarHBondContact O-N 3.24Å
712Y84.2Confident80.7Confident62 Ų6264.1 Ų64.124%0.24333%0.325CS..Hα-helixtrans-76.6-32.6-166.3-55-71.8000114.6K707 N710 T714 A715 V716 L731 H735K707-Y712 HydrophobicContact CB-CD1 4.45Å; K707-Y712 HydrophobicContact CG-CD1 4.1Å; K707-Y712 HydrophobicContact CG-CE1 4.03Å; K707-Y712 WeakPolarHBondContact O-CE1 3.28Å; N710-Y712 VanDerWaalsContact CA-CE2 3.42Å; N710-Y712 VanDerWaalsContact CA-CZ 3.49Å; N710-Y712 HydrophobicContact CB-CD2 4.18Å; N710-Y712 HydrophobicContact CB-CE2 3.5Å; N710-Y712 VanDerWaalsContact CB-CE2 3.5Å; N710-Y712 WeakPolarHBondContact O-CD2 3.24Å; N710-Y712 PolarHBondContact O-N 3.42Å; N710-Y712 VanDerWaalsContact O-N 3.12Å; N710-Y712 PolarHBondContact OD1-OH 3.07Å; Y712-T714 VanDerWaalsContact C-N 3.29Å; Y712-T714 PolarHBondContact O-N 3.35Å; Y712-A715 CarbonylContact O-C 3.42Å; Y712-A715 WeakPolarHBondContact O-CB 3.35Å; Y712-A715 PolarHBondContact O-N 3.19Å; Y712-V716 WeakPolarHBondContact O-CG2 3.48Å; Y712-V716 PolarHBondContact O-N 3.03Å; Y712-L731 HydrophobicContact CD1-CD2 4.37Å; Y712-H735 WeakPolarHBondContact CB-CD2 3.35Å; Y712-H735 WeakPolarHBondContact CB-NE2 3.46Å; Y712-H735 AromaticContact CD1-CE1 3.46Å; Y712-H735 VanDerWaalsContact CD1-CE1 3.46Å; Y712-H735 WeakPolarHBondContact CD1-CE1 3.43Å; Y712-H735 AromaticContact CD1-NE2 3.11Å; Y712-H735 WeakPolarHBondContact CD1-NE2 3.27Å; Y712-H735 AromaticContact CD2-CE1 2.98Å; Y712-H735 WeakPolarHBondContact CD2-CE1 3.41Å; Y712-H735 AromaticContact CD2-ND1 3.51Å; Y712-H735 AromaticContact CD2-NE2 3.42Å; Y712-H735 WeakPolarHBondContact CD2-NE2 3.49Å; Y712-H735 AromaticContact CE1-CE1 3.69Å; Y712-H735 AromaticContact CE1-NE2 3.7Å; Y712-H735 AromaticContact CE2-CE1 3.22Å; Y712-H735 WeakPolarHBondContact CE2-CE1 3.35Å; Y712-H735 AromaticContact CE2-ND1 3.92Å; Y712-H735 AromaticContact CE2-NE2 3.94Å; Y712-H735 AromaticContact CG-CD2 3.67Å; Y712-H735 AromaticContact CG-CE1 3.07Å; Y712-H735 AromaticContact CG-ND1 3.82Å; Y712-H735 AromaticContact CG-NE2 2.92Å; Y712-H735 AromaticContact CZ-CE1 3.55Å
713R83.5Confident80.5Confident140 Ų14064.9 Ų64.953%0.52834%0.341SS..Hα-helixtrans-64.7-41.8178.8-88.8-165.6167.6178.1-9110.4A715 V716 K717 W737 D739R713-A715 VanDerWaalsContact C-N 3.34Å; R713-V716 PolarHBondContact O-N 3.13Å; R713-K717 PolarHBondContact O-N 2.83Å; R713-W737 HydrophobicContact CB-CH2 3.84Å; R713-W737 HydrophobicContact CB-CZ2 4.22Å; R713-W737 HydrophobicContact CB-CZ3 4.32Å; R713-W737 HydrophobicContact CG-CD2 4.27Å; R713-W737 HydrophobicContact CG-CE3 4.2Å; R713-W737 HydrophobicContact CG-CH2 3.16Å; R713-W737 HydrophobicContact CG-CZ2 3.18Å; R713-W737 HydrophobicContact CG-CZ3 3.63Å; R713-W737 VanDerWaalsContact N-CH2 3.3Å; R713-D739 IonicContact NH2-OD2 3.44Å
714T82.9Confident80.7Confident62 Ų6268.6 Ų68.638%0.3836%0.358SS..Hα-helixtrans-63.2-44.1173.9-1.10000109.7E711 Y712 K717 M718E711-T714 PolarHBondContact O-OG1 3.2Å; Y712-T714 VanDerWaalsContact C-N 3.29Å; Y712-T714 PolarHBondContact O-N 3.35Å; T714-K717 PolarHBondContact O-N 2.97Å; T714-M718 WeakPolarHBondContact O-CB 3.3Å; T714-M718 WeakPolarHBondContact O-CG 3.43Å; T714-M718 PolarHBondContact O-N 3.38Å
715A83.9Confident80.8Confident0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-60.9-43.8173.300000113A706 K707 E711 Y712 R713 M718 Y719 L731A706-A715 HydrophobicContact CB-CB 4.34Å; K707-A715 HydrophobicContact CB-CB 4.34Å; E711-A715 PolarHBondContact O-N 3.24Å; Y712-A715 CarbonylContact O-C 3.42Å; Y712-A715 WeakPolarHBondContact O-CB 3.35Å; Y712-A715 PolarHBondContact O-N 3.19Å; R713-A715 VanDerWaalsContact C-N 3.34Å; A715-M718 CarbonylContact O-C 3.53Å; A715-M718 WeakPolarHBondContact O-CA 3.49Å; A715-M718 WeakPolarHBondContact O-CB 3.49Å; A715-M718 PolarHBondContact O-N 2.79Å; A715-M718 VanDerWaalsContact O-N 3.15Å; A715-Y719 HydrophobicContact CB-CD2 4.39Å; A715-Y719 HydrophobicContact CB-CE2 4.11Å; A715-Y719 WeakPolarHBondContact O-CB 3.38Å; A715-Y719 WeakPolarHBondContact O-CD2 3.14Å; A715-Y719 PolarHBondContact O-N 2.78Å; A715-L731 HydrophobicContact CB-CD2 3.95Å
716V84.9Confident81.1Confident3 Ų369.1 Ų69.12%0.01836%0.361CS..Hα-helixtrans-64.4-42.7177.2170.50000111.6Y712 R713 M718 Y719 M720 A728 L731 W737Y712-V716 WeakPolarHBondContact O-CG2 3.48Å; Y712-V716 PolarHBondContact O-N 3.03Å; R713-V716 PolarHBondContact O-N 3.13Å; V716-M718 VanDerWaalsContact C-N 3.34Å; V716-Y719 PolarHBondContact O-N 3.27Å; V716-M720 HydrophobicContact CG1-CG 4.29Å; V716-M720 HydrophobicContact CG1-SD 4.05Å; V716-M720 WeakPolarHBondContact O-CB 3.5Å; V716-M720 WeakPolarHBondContact O-CG 3.5Å; V716-M720 PolarHBondContact O-N 3.41Å; V716-A728 HydrophobicContact CG1-CB 4.17Å; V716-L731 HydrophobicContact CG2-CB 3.17Å; V716-L731 HydrophobicContact CG2-CD2 3.46Å; V716-L731 VanDerWaalsContact CG2-CD2 3.46Å; V716-L731 HydrophobicContact CG2-CG 3.92Å; V716-W737 HydrophobicContact CB-CZ3 3.86Å; V716-W737 HydrophobicContact CG1-CZ3 4.33Å; V716-W737 HydrophobicContact CG2-CE3 4.4Å; V716-W737 HydrophobicContact CG2-CH2 4.29Å; V716-W737 HydrophobicContact CG2-CZ3 3.53Å
717K83.6Confident81.3Confident139 Ų13972.2 Ų72.260%0.60437%0.373SS*.Hα-helixtrans-60.7-46.5170.7-88.6-178.1171.2176.70110.8R713 T714 Y719 M720 D721R713-K717 PolarHBondContact O-N 2.83Å; T714-K717 PolarHBondContact O-N 2.97Å; K717-Y719 VanDerWaalsContact C-N 3.28Å; K717-Y719 PolarHBondContact O-N 3.07Å; K717-M720 PolarHBondContact O-N 3.37Å; K717-D721 VanDerWaalsContact O-CB 3.24Å; K717-D721 WeakPolarHBondContact O-CB 3.35Å; K717-D721 PolarHBondContact O-N 3.17Å
718M83.3Confident81.6Confident64 Ų6468.3 Ų68.332%0.31536%0.357SS..Hα-helixtrans-59.2-36.5175.7-73174.8173.600112.2A703 T714 A715 V716 A722A703-M718 HydrophobicContact CB-CB 4.03Å; A703-M718 HydrophobicContact CB-SD 4.15Å; T714-M718 WeakPolarHBondContact O-CB 3.3Å; T714-M718 WeakPolarHBondContact O-CG 3.43Å; T714-M718 PolarHBondContact O-N 3.38Å; A715-M718 CarbonylContact O-C 3.53Å; A715-M718 WeakPolarHBondContact O-CA 3.49Å; A715-M718 WeakPolarHBondContact O-CB 3.49Å; A715-M718 PolarHBondContact O-N 2.79Å; A715-M718 VanDerWaalsContact O-N 3.15Å; V716-M718 VanDerWaalsContact C-N 3.34Å; M718-A722 WeakPolarHBondContact O-CB 3.16Å; M718-A722 PolarHBondContact O-N 3.16Å
719Y87.7Confident82Confident7 Ų765.5 Ų65.53%0.02734%0.336CS..Hα-helixtrans-74.4-41.4175.8-71.7-54.7000112.5A703 D704 A715 V716 K717 A722 G723 E724 K727 L731A703-Y719 HydrophobicContact CB-CE1 4.18Å; D704-Y719 PolarHBondContact OD1-OH 3.21Å; A715-Y719 HydrophobicContact CB-CD2 4.39Å; A715-Y719 HydrophobicContact CB-CE2 4.11Å; A715-Y719 WeakPolarHBondContact O-CB 3.38Å; A715-Y719 WeakPolarHBondContact O-CD2 3.14Å; A715-Y719 PolarHBondContact O-N 2.78Å; V716-Y719 PolarHBondContact O-N 3.27Å; K717-Y719 VanDerWaalsContact C-N 3.28Å; K717-Y719 PolarHBondContact O-N 3.07Å; Y719-A722 CarbonylContact O-C 3.6Å; Y719-A722 PolarHBondContact O-N 3.23Å; Y719-G723 PolarHBondContact O-N 3.12Å; Y719-E724 PolarHBondContact O-N 3.36Å; Y719-K727 HydrophobicContact CD1-CB 4.17Å; Y719-K727 HydrophobicContact CD1-CD 3.86Å; Y719-K727 HydrophobicContact CD2-CB 4.4Å; Y719-K727 HydrophobicContact CE1-CD 3.89Å; Y719-K727 HydrophobicContact CG-CB 4.06Å; Y719-L731 HydrophobicContact CD2-CD1 3.75Å; Y719-L731 HydrophobicContact CD2-CD2 4.2Å; Y719-L731 HydrophobicContact CE2-CD1 3.44Å; Y719-L731 VanDerWaalsContact CE2-CD1 3.44Å; Y719-L731 HydrophobicContact CE2-CD2 4.02Å; Y719-L731 HydrophobicContact CE2-CG 4.4Å
720M83.1Confident82.2Confident57 Ų5767.7 Ų67.728%0.28134%0.343SS..Hα-helixtrans-62.3-44.6173.1-80178.843.900111.1V716 K717 A722 G723 A728V716-M720 HydrophobicContact CG1-CG 4.29Å; V716-M720 HydrophobicContact CG1-SD 4.05Å; V716-M720 WeakPolarHBondContact O-CB 3.5Å; V716-M720 WeakPolarHBondContact O-CG 3.5Å; V716-M720 PolarHBondContact O-N 3.41Å; K717-M720 PolarHBondContact O-N 3.37Å; M720-A722 PolarHBondContact O-N 3.26Å; M720-G723 WeakPolarHBondContact O-CA 3.41Å; M720-G723 PolarHBondContact O-N 3.38Å; M720-A728 HydrophobicContact CG-CB 3.64Å
721D77.9Confident82.6Confident140 Ų14062.8 Ų62.875%0.74932%0.317SS*.Hα-helixtrans-66.5-28.8176.6-67.8-19000111.2K717 G723K717-D721 VanDerWaalsContact O-CB 3.24Å; K717-D721 WeakPolarHBondContact O-CB 3.35Å; K717-D721 PolarHBondContact O-N 3.17Å; D721-G723 VanDerWaalsContact C-N 3.32Å
722A75.7Confident82.7Confident61 Ų6157.4 Ų57.450%0.50429%0.291SS..THydrogen-bonded Turntrans-78.8-8.6170.400000114.1M718 Y719 M720M718-A722 WeakPolarHBondContact O-CB 3.16Å; M718-A722 PolarHBondContact O-N 3.16Å; Y719-A722 CarbonylContact O-C 3.6Å; Y719-A722 PolarHBondContact O-N 3.23Å; M720-A722 PolarHBondContact O-N 3.26Å
723G76.3Confident82.5Confident51 Ų5155.5 Ų55.553%0.52629%0.285SS..THydrogen-bonded Turntrans88.913.5176.900000116Y719 M720 D721Y719-G723 PolarHBondContact O-N 3.12Å; M720-G723 WeakPolarHBondContact O-CA 3.41Å; M720-G723 PolarHBondContact O-N 3.38Å; D721-G723 VanDerWaalsContact C-N 3.32Å
724E82.1Confident82.3Confident80 Ų8054.4 Ų54.437%0.37429%0.289SS..  trans-101.881.8-174.1-80.9-110-146.100111.9Y719 I726 K727 A728Y719-E724 PolarHBondContact O-N 3.36Å; E724-I726 VanDerWaalsContact C-N 3.33Å; E724-I726 PolarHBondContact O-N 3.43Å; E724-K727 HydrophobicContact CB-CB 4.1Å; E724-K727 HydrophobicContact CB-CD 4.01Å; E724-K727 HydrophobicContact CB-CG 4.26Å; E724-K727 HydrophobicContact CG-CD 4.21Å; E724-K727 PolarHBondContact O-N 3.35Å; E724-K727 WeakPolarHBondContact OE1-CE 3.47Å; E724-K727 IonicContact OE1-NZ 3.38Å; E724-K727 PolarHBondContact OE1-NZ 3.26Å; E724-K727 WeakPolarHBondContact OE2-CE 3.41Å; E724-K727 IonicContact OE2-NZ 3.53Å; E724-A728 PolarHBondContact O-N 3.46Å
725F82Confident82.3Confident99 Ų9953.6 Ų53.643%0.43428%0.281SS..Hα-helixtrans-67.3-28.3-179.5-71.8-68.8000114.1A728 I729F725-A728 PolarHBondContact O-N 2.9Å; F725-I729 WeakPolarHBondContact O-CB 3.26Å; F725-I729 VanDerWaalsContact O-CG1 3.22Å; F725-I729 WeakPolarHBondContact O-CG1 3.47Å; F725-I729 PolarHBondContact O-N 3.45Å
726I82.4Confident82.1Confident62 Ų6255.3 Ų55.332%0.31830%0.299SS..Hα-helixtrans-65.4-50.1174.8-63.7171000108.9E724 A728 I729 E730E724-I726 VanDerWaalsContact C-N 3.33Å; E724-I726 PolarHBondContact O-N 3.43Å; I726-A728 PolarHBondContact O-N 3.45Å; I726-I729 PolarHBondContact O-N 2.9Å; I726-E730 HydrophobicContact CG2-CG 4.27Å; I726-E730 WeakPolarHBondContact CG2-OE1 3.35Å; I726-E730 VanDerWaalsContact O-CB 3.23Å; I726-E730 WeakPolarHBondContact O-CB 3.44Å; I726-E730 VanDerWaalsContact O-CG 3.22Å; I726-E730 WeakPolarHBondContact O-CG 3.43Å; I726-E730 PolarHBondContact O-N 3.1Å
727K82.4Confident82Confident70 Ų7056.9 Ų56.930%0.30431%0.305SS..Hα-helixtrans-60.7-33.1174.8-67177.9-177.8157.80112Y719 E724 L731Y719-K727 HydrophobicContact CD1-CB 4.17Å; Y719-K727 HydrophobicContact CD1-CD 3.86Å; Y719-K727 HydrophobicContact CD2-CB 4.4Å; Y719-K727 HydrophobicContact CE1-CD 3.89Å; Y719-K727 HydrophobicContact CG-CB 4.06Å; E724-K727 HydrophobicContact CB-CB 4.1Å; E724-K727 HydrophobicContact CB-CD 4.01Å; E724-K727 HydrophobicContact CB-CG 4.26Å; E724-K727 HydrophobicContact CG-CD 4.21Å; E724-K727 PolarHBondContact O-N 3.35Å; E724-K727 WeakPolarHBondContact OE1-CE 3.47Å; E724-K727 IonicContact OE1-NZ 3.38Å; E724-K727 PolarHBondContact OE1-NZ 3.26Å; E724-K727 WeakPolarHBondContact OE2-CE 3.41Å; E724-K727 IonicContact OE2-NZ 3.53Å; K727-L731 WeakPolarHBondContact O-CB 3.41Å; K727-L731 VanDerWaalsContact O-CD1 3.28Å; K727-L731 WeakPolarHBondContact O-CD1 3.48Å; K727-L731 PolarHBondContact O-N 3.04Å
728A85.1Confident81.8Confident0 Ų052.4 Ų52.40%029%0.289CS..Hα-helixtrans-72.4-45.8176.400000113V716 M720 E724 F725 I726 E730 L731 S732V716-A728 HydrophobicContact CG1-CB 4.17Å; M720-A728 HydrophobicContact CG-CB 3.64Å; E724-A728 PolarHBondContact O-N 3.46Å; F725-A728 PolarHBondContact O-N 2.9Å; I726-A728 PolarHBondContact O-N 3.45Å; A728-E730 VanDerWaalsContact C-N 3.33Å; A728-L731 PolarHBondContact O-N 2.91Å; A728-S732 WeakPolarHBondContact O-CB 3.36Å; A728-S732 PolarHBondContact O-N 2.89Å; A728-S732 PolarHBondContact O-OG 3.46Å
729I83Confident81.7Confident7 Ų753.2 Ų53.24%0.03630%0.295CS..Hα-helixtrans-61.6-46.6174.1-69.9165.3000108.6F725 I726 L731 S732 D733 L741 I744 Y755F725-I729 WeakPolarHBondContact O-CB 3.26Å; F725-I729 VanDerWaalsContact O-CG1 3.22Å; F725-I729 WeakPolarHBondContact O-CG1 3.47Å; F725-I729 PolarHBondContact O-N 3.45Å; I726-I729 PolarHBondContact O-N 2.9Å; I729-L731 PolarHBondContact O-N 3.33Å; I729-S732 PolarHBondContact O-N 2.86Å; I729-D733 WeakPolarHBondContact O-CB 3.3Å; I729-D733 PolarHBondContact O-N 3.39Å; I729-L741 HydrophobicContact CG2-CD2 3.96Å; I729-I744 HydrophobicContact CD1-CG2 3.99Å; I729-I744 HydrophobicContact CG1-CD1 3.84Å; I729-I744 HydrophobicContact CG1-CG2 3.97Å; I729-Y755 HydrophobicContact CD1-CD1 4.43Å
730E82.9Confident81.4Confident99 Ų9954.7 Ų54.746%0.46330%0.303SS..Hα-helixtrans-60.6-46.8178.2-75.9177.5174.800111.6I726 A728 L734I726-E730 HydrophobicContact CG2-CG 4.27Å; I726-E730 WeakPolarHBondContact CG2-OE1 3.35Å; I726-E730 VanDerWaalsContact O-CB 3.23Å; I726-E730 WeakPolarHBondContact O-CB 3.44Å; I726-E730 VanDerWaalsContact O-CG 3.22Å; I726-E730 WeakPolarHBondContact O-CG 3.43Å; I726-E730 PolarHBondContact O-N 3.1Å; A728-E730 VanDerWaalsContact C-N 3.33Å; E730-L734 VanDerWaalsContact O-CB 3.26Å; E730-L734 WeakPolarHBondContact O-CB 3.36Å; E730-L734 PolarHBondContact O-N 3.02Å
731L84.9Confident81.4Confident3 Ų352 Ų522%0.01629%0.29CS..Hα-helixtrans-68.3-37.5174.4-101.693.2000112.2K707 Y712 A715 V716 Y719 K727 A728 I729 L734 H735K707-L731 HydrophobicContact CD-CD1 4.18Å; Y712-L731 HydrophobicContact CD1-CD2 4.37Å; A715-L731 HydrophobicContact CB-CD2 3.95Å; V716-L731 HydrophobicContact CG2-CB 3.17Å; V716-L731 HydrophobicContact CG2-CD2 3.46Å; V716-L731 VanDerWaalsContact CG2-CD2 3.46Å; V716-L731 HydrophobicContact CG2-CG 3.92Å; Y719-L731 HydrophobicContact CD2-CD1 3.75Å; Y719-L731 HydrophobicContact CD2-CD2 4.2Å; Y719-L731 HydrophobicContact CE2-CD1 3.44Å; Y719-L731 VanDerWaalsContact CE2-CD1 3.44Å; Y719-L731 HydrophobicContact CE2-CD2 4.02Å; Y719-L731 HydrophobicContact CE2-CG 4.4Å; K727-L731 WeakPolarHBondContact O-CB 3.41Å; K727-L731 VanDerWaalsContact O-CD1 3.28Å; K727-L731 WeakPolarHBondContact O-CD1 3.48Å; K727-L731 PolarHBondContact O-N 3.04Å; A728-L731 PolarHBondContact O-N 2.91Å; I729-L731 PolarHBondContact O-N 3.33Å; L731-L734 CarbonylContact O-C 3.47Å; L731-L734 WeakPolarHBondContact O-CA 3.14Å; L731-L734 VanDerWaalsContact O-CB 3.25Å; L731-L734 WeakPolarHBondContact O-CB 3.45Å; L731-L734 PolarHBondContact O-N 3.33Å; L731-H735 PolarHBondContact O-CD2 3.39Å; L731-H735 PolarHBondContact O-N 3.27Å
732S85.3Confident81.5Confident0 Ų047.4 Ų47.40%027%0.265CS..Hα-helixtrans-69.4-40.3-177-57.70000111.3A728 I729 L734 H735 G736 W737 I740A728-S732 WeakPolarHBondContact O-CB 3.36Å; A728-S732 PolarHBondContact O-N 2.89Å; A728-S732 PolarHBondContact O-OG 3.46Å; I729-S732 PolarHBondContact O-N 2.86Å; S732-L734 VanDerWaalsContact C-N 3.33Å; S732-H735 CarbonylContact O-C 3.56Å; S732-H735 PolarHBondContact O-N 2.87Å; S732-G736 PolarHBondContact O-N 3.08Å; S732-W737 PolarHBondContact O-N 3.05Å; S732-I740 WeakPolarHBondContact OG-CG2 3.08Å
733D79.9Confident81.8Confident22 Ų2249.1 Ų49.112%0.11827%0.265CS..Hα-helixtrans-60.8-44.8169-173.435.2000110I729 H735 G736 L741 S762 R765I729-D733 WeakPolarHBondContact O-CB 3.3Å; I729-D733 PolarHBondContact O-N 3.39Å; D733-H735 PolarHBondContact O-N 3.26Å; D733-G736 PolarHBondContact O-N 3.11Å; D733-L741 HydrophobicContact CB-CD1 4.34Å; D733-S762 WeakPolarHBondContact OD1-CA 3.46Å; D733-R765 IonicContact OD2-CZ 3.44Å; D733-R765 IonicContact OD2-NE 3.52Å; D733-R765 IonicContact OD2-NH1 2.79Å; D733-R765 PolarHBondContact OD2-NH1 3.49Å
734L79.1Confident82.1Confident116 Ų11647.4 Ų47.461%0.60724%0.244SC*.Hα-helixtrans-57.2-32.9174.1-119.5129.6000113.5E730 L731 S732E730-L734 VanDerWaalsContact O-CB 3.26Å; E730-L734 WeakPolarHBondContact O-CB 3.36Å; E730-L734 PolarHBondContact O-N 3.02Å; L731-L734 CarbonylContact O-C 3.47Å; L731-L734 WeakPolarHBondContact O-CA 3.14Å; L731-L734 VanDerWaalsContact O-CB 3.25Å; L731-L734 WeakPolarHBondContact O-CB 3.45Å; L731-L734 PolarHBondContact O-N 3.33Å; S732-L734 VanDerWaalsContact C-N 3.33Å
735H82.1Confident82Confident45 Ų4544.3 Ų44.321%0.20823%0.231CC..THydrogen-bonded Turntrans-104.25.2-175.7-68.2-51.5000115.3Y712 L731 S732 D733 W737Y712-H735 WeakPolarHBondContact CB-CD2 3.35Å; Y712-H735 WeakPolarHBondContact CB-NE2 3.46Å; Y712-H735 AromaticContact CD1-CE1 3.46Å; Y712-H735 VanDerWaalsContact CD1-CE1 3.46Å; Y712-H735 WeakPolarHBondContact CD1-CE1 3.43Å; Y712-H735 AromaticContact CD1-NE2 3.11Å; Y712-H735 WeakPolarHBondContact CD1-NE2 3.27Å; Y712-H735 AromaticContact CD2-CE1 2.98Å; Y712-H735 WeakPolarHBondContact CD2-CE1 3.41Å; Y712-H735 AromaticContact CD2-ND1 3.51Å; Y712-H735 AromaticContact CD2-NE2 3.42Å; Y712-H735 WeakPolarHBondContact CD2-NE2 3.49Å; Y712-H735 AromaticContact CE1-CE1 3.69Å; Y712-H735 AromaticContact CE1-NE2 3.7Å; Y712-H735 AromaticContact CE2-CE1 3.22Å; Y712-H735 WeakPolarHBondContact CE2-CE1 3.35Å; Y712-H735 AromaticContact CE2-ND1 3.92Å; Y712-H735 AromaticContact CE2-NE2 3.94Å; Y712-H735 AromaticContact CG-CD2 3.67Å; Y712-H735 AromaticContact CG-CE1 3.07Å; Y712-H735 AromaticContact CG-ND1 3.82Å; Y712-H735 AromaticContact CG-NE2 2.92Å; Y712-H735 AromaticContact CZ-CE1 3.55Å; L731-H735 PolarHBondContact O-CD2 3.39Å; L731-H735 PolarHBondContact O-N 3.27Å; S732-H735 CarbonylContact O-C 3.56Å; S732-H735 PolarHBondContact O-N 2.87Å; D733-H735 PolarHBondContact O-N 3.26Å; H735-W737 VanDerWaalsContact C-N 3.33Å; H735-W737 HydrophobicContact CB-CD2 3.76Å; H735-W737 HydrophobicContact CB-CE3 4.21Å; H735-W737 HydrophobicContact CB-CG 4.27Å; H735-W737 HydrophobicContact CB-CH2 3.71Å; H735-W737 HydrophobicContact CB-CZ2 3.25Å; H735-W737 HydrophobicContact CB-CZ3 4.22Å; H735-W737 AromaticContact CD2-CH2 3.71Å; H735-W737 AromaticContact CG-CH2 3.78Å; H735-W737 AromaticContact CG-CZ2 3.61Å; H735-W737 VanDerWaalsContact O-CD1 3.32Å; H735-W737 PolarHBondContact O-N 3.15Å; H735-W737 PolarHBondContact O-NE1 3.25Å
736G80.2Confident82.1Confident37 Ų3748.2 Ų48.238%0.38124%0.243SC..THydrogen-bonded Turntrans81.212.2174.600000114.8S732 D733 T738S732-G736 PolarHBondContact O-N 3.08Å; D733-G736 PolarHBondContact O-N 3.11Å; G736-T738 VanDerWaalsContact C-N 3.32Å; G736-T738 PolarHBondContact O-N 3.11Å
737W84.1Confident82Confident35 Ų3554.5 Ų54.513%0.13326%0.263CS..  trans-84.178.5-168.6-61.5-22000111.4R713 V716 S732 H735 D739 I740 L741R713-W737 HydrophobicContact CB-CH2 3.84Å; R713-W737 HydrophobicContact CB-CZ2 4.22Å; R713-W737 HydrophobicContact CB-CZ3 4.32Å; R713-W737 HydrophobicContact CG-CD2 4.27Å; R713-W737 HydrophobicContact CG-CE3 4.2Å; R713-W737 HydrophobicContact CG-CH2 3.16Å; R713-W737 HydrophobicContact CG-CZ2 3.18Å; R713-W737 HydrophobicContact CG-CZ3 3.63Å; R713-W737 VanDerWaalsContact N-CH2 3.3Å; V716-W737 HydrophobicContact CB-CZ3 3.86Å; V716-W737 HydrophobicContact CG1-CZ3 4.33Å; V716-W737 HydrophobicContact CG2-CE3 4.4Å; V716-W737 HydrophobicContact CG2-CH2 4.29Å; V716-W737 HydrophobicContact CG2-CZ3 3.53Å; S732-W737 PolarHBondContact O-N 3.05Å; H735-W737 VanDerWaalsContact C-N 3.33Å; H735-W737 HydrophobicContact CB-CD2 3.76Å; H735-W737 HydrophobicContact CB-CE3 4.21Å; H735-W737 HydrophobicContact CB-CG 4.27Å; H735-W737 HydrophobicContact CB-CH2 3.71Å; H735-W737 HydrophobicContact CB-CZ2 3.25Å; H735-W737 HydrophobicContact CB-CZ3 4.22Å; H735-W737 AromaticContact CD2-CH2 3.71Å; H735-W737 AromaticContact CG-CH2 3.78Å; H735-W737 AromaticContact CG-CZ2 3.61Å; H735-W737 VanDerWaalsContact O-CD1 3.32Å; H735-W737 PolarHBondContact O-N 3.15Å; H735-W737 PolarHBondContact O-NE1 3.25Å; W737-D739 WeakPolarHBondContact CA-OD1 3.42Å; W737-D739 WeakPolarHBondContact CB-OD1 3.28Å; W737-D739 PolarHBondContact O-N 3.25Å; W737-I740 HydrophobicContact CB-CB 4.01Å; W737-I740 HydrophobicContact CB-CD1 3.98Å; W737-I740 HydrophobicContact CB-CG1 4.19Å; W737-I740 HydrophobicContact CD2-CD1 3.87Å; W737-I740 HydrophobicContact CE3-CD1 3.42Å; W737-I740 VanDerWaalsContact CE3-CD1 3.42Å; W737-I740 HydrophobicContact CG-CD1 4.11Å; W737-I740 HydrophobicContact CZ3-CD1 4.29Å; W737-I740 PolarHBondContact O-N 3.29Å; W737-L741 WeakPolarHBondContact O-CB 3.28Å; W737-L741 PolarHBondContact O-N 3.44Å
738T78.5Confident81.7Confident45 Ų4552.7 Ų52.728%0.27626%0.256SS..Hα-helixtrans-56.5-34.417549.30000111.8G736 L742 L766 E768G736-T738 VanDerWaalsContact C-N 3.32Å; G736-T738 PolarHBondContact O-N 3.11Å; T738-L742 WeakPolarHBondContact O-CB 3.3Å; T738-L742 WeakPolarHBondContact O-CD1 3.18Å; T738-L742 WeakPolarHBondContact O-CG 3.32Å; T738-L742 PolarHBondContact O-N 3.28Å; T738-L766 HydrophobicContact CG2-CB 3.71Å; T738-L766 HydrophobicContact CG2-CD1 3.55Å; T738-L766 HydrophobicContact CG2-CG 4.13Å; T738-E768 HydrophobicContact CG2-CG 4.23Å
739D80.8Confident81.2Confident82 Ų8258.6 Ų58.644%0.43929%0.288SS..Hα-helixtrans-63.5-48.8175.652.5-25.1000112.1R713 W737 L742 D743R713-D739 IonicContact NH2-OD2 3.44Å; W737-D739 WeakPolarHBondContact CA-OD1 3.42Å; W737-D739 WeakPolarHBondContact CB-OD1 3.28Å; W737-D739 PolarHBondContact O-N 3.25Å; D739-L742 PolarHBondContact O-N 2.98Å; D739-D743 WeakPolarHBondContact O-CB 3.43Å; D739-D743 PolarHBondContact O-N 3.11Å
740I82.5Confident80.5Confident38 Ų3866.6 Ų66.620%0.19532%0.322CS..Hα-helixtrans-70-37.1178.6-64.3169.7000110.5S732 W737 D743 I744S732-I740 WeakPolarHBondContact OG-CG2 3.08Å; W737-I740 HydrophobicContact CB-CB 4.01Å; W737-I740 HydrophobicContact CB-CD1 3.98Å; W737-I740 HydrophobicContact CB-CG1 4.19Å; W737-I740 HydrophobicContact CD2-CD1 3.87Å; W737-I740 HydrophobicContact CE3-CD1 3.42Å; W737-I740 VanDerWaalsContact CE3-CD1 3.42Å; W737-I740 HydrophobicContact CG-CD1 4.11Å; W737-I740 HydrophobicContact CZ3-CD1 4.29Å; W737-I740 PolarHBondContact O-N 3.29Å; I740-D743 PolarHBondContact O-N 3.16Å; I740-I744 HydrophobicContact CG2-CD1 3.92Å; I740-I744 HydrophobicContact CG2-CG1 4.48Å; I740-I744 WeakPolarHBondContact O-CB 3.49Å; I740-I744 WeakPolarHBondContact O-CD1 3.2Å; I740-I744 WeakPolarHBondContact O-CG1 3.12Å; I740-I744 PolarHBondContact O-N 3.21Å
741L81.7Confident79.8Confident0 Ų069.4 Ų69.40%034%0.34CS..Hα-helixtrans-70-35.3175-79.8160.5000112.9I729 D733 W737 I744 S745 L766I729-L741 HydrophobicContact CG2-CD2 3.96Å; D733-L741 HydrophobicContact CB-CD1 4.34Å; W737-L741 WeakPolarHBondContact O-CB 3.28Å; W737-L741 PolarHBondContact O-N 3.44Å; L741-I744 PolarHBondContact O-N 3.43Å; L741-S745 WeakPolarHBondContact O-CB 3.15Å; L741-S745 PolarHBondContact O-N 3.12Å; L741-S745 PolarHBondContact O-OG 2.62Å; L741-L766 HydrophobicContact CD1-CD1 3.27Å
742L80.7Confident79.4Confident43 Ų4371.9 Ų71.923%0.22535%0.354CS..Hα-helixtrans-64.8-44.1169.4-92.9155.6000110.5T738 D739 I744 S745 R746T738-L742 WeakPolarHBondContact O-CB 3.3Å; T738-L742 WeakPolarHBondContact O-CD1 3.18Å; T738-L742 WeakPolarHBondContact O-CG 3.32Å; T738-L742 PolarHBondContact O-N 3.28Å; D739-L742 PolarHBondContact O-N 2.98Å; L742-I744 VanDerWaalsContact C-N 3.28Å; L742-I744 PolarHBondContact O-N 2.8Å; L742-S745 WeakPolarHBondContact CA-OG 3.41Å; L742-S745 PolarHBondContact O-N 3.49Å; L742-S745 PolarHBondContact O-OG 3.09Å; L742-R746 VanDerWaalsContact O-CB 3.31Å; L742-R746 WeakPolarHBondContact O-CB 3.49Å; L742-R746 WeakPolarHBondContact O-CG 3.33Å; L742-R746 PolarHBondContact O-N 3.28Å
743D82.5Confident78.9Confident97 Ų9776.3 Ų76.352%0.51937%0.374SS..Hα-helixtrans-61.8-36.8175.3-98.13.7000112.2D739 I740 R747D739-D743 WeakPolarHBondContact O-CB 3.43Å; D739-D743 PolarHBondContact O-N 3.11Å; I740-D743 PolarHBondContact O-N 3.16Å; D743-R747 WeakPolarHBondContact O-CB 3.46Å; D743-R747 WeakPolarHBondContact O-CG 3.3Å; D743-R747 PolarHBondContact O-N 3.29Å; D743-R747 VanDerWaalsContact O-N 3.14Å
744I82.5Confident79Confident15 Ų1580.7 Ų80.78%0.07739%0.394CS..Hα-helixtrans-67-53.3171.7-66.9162000109.9I729 I740 L741 L742 R746 R747 L748I729-I744 HydrophobicContact CD1-CG2 3.99Å; I729-I744 HydrophobicContact CG1-CD1 3.84Å; I729-I744 HydrophobicContact CG1-CG2 3.97Å; I740-I744 HydrophobicContact CG2-CD1 3.92Å; I740-I744 HydrophobicContact CG2-CG1 4.48Å; I740-I744 WeakPolarHBondContact O-CB 3.49Å; I740-I744 WeakPolarHBondContact O-CD1 3.2Å; I740-I744 WeakPolarHBondContact O-CG1 3.12Å; I740-I744 PolarHBondContact O-N 3.21Å; L741-I744 PolarHBondContact O-N 3.43Å; L742-I744 VanDerWaalsContact C-N 3.28Å; L742-I744 PolarHBondContact O-N 2.8Å; I744-R746 PolarHBondContact O-N 3.04Å; I744-R747 WeakPolarHBondContact O-CA 3.48Å; I744-R747 WeakPolarHBondContact O-CB 3.23Å; I744-R747 PolarHBondContact O-N 3.3Å; I744-L748 HydrophobicContact CG2-CD1 3.6Å; I744-L748 HydrophobicContact CG2-CG 4.35Å; I744-L748 WeakPolarHBondContact O-CD1 3.47Å; I744-L748 VanDerWaalsContact O-CG 3.23Å; I744-L748 WeakPolarHBondContact O-CG 3.39Å; I744-L748 PolarHBondContact O-N 3.47Å; I744-L748 VanDerWaalsContact O-N 3.17Å
745S80.4Confident79.2Confident15 Ų1579 Ų7911%0.10538%0.38CS..Hα-helixtrans-60.9-27.5-17978.30000114L741 L742L741-S745 WeakPolarHBondContact O-CB 3.15Å; L741-S745 PolarHBondContact O-N 3.12Å; L741-S745 PolarHBondContact O-OG 2.62Å; L742-S745 WeakPolarHBondContact CA-OG 3.41Å; L742-S745 PolarHBondContact O-N 3.49Å; L742-S745 PolarHBondContact O-OG 3.09Å
746R82.3Confident79.2Confident181 Ų18178.3 Ų78.368%0.68338%0.378SS*.Hα-helixtrans-80.7-28.4173.9-73.2172.5-177.2173.51.7112.7L742 I744 L748L742-R746 VanDerWaalsContact O-CB 3.31Å; L742-R746 WeakPolarHBondContact O-CB 3.49Å; L742-R746 WeakPolarHBondContact O-CG 3.33Å; L742-R746 PolarHBondContact O-N 3.28Å; I744-R746 PolarHBondContact O-N 3.04Å; R746-L748 VanDerWaalsContact C-N 3.27Å
747R81.3Confident79.3Confident194 Ų19479.5 Ų79.573%0.73237%0.373SS*.Hα-helixtrans-76.9-13.8173.5-85-179.6169.2176.6-1.4112.9D743 I744D743-R747 WeakPolarHBondContact O-CB 3.46Å; D743-R747 WeakPolarHBondContact O-CG 3.3Å; D743-R747 PolarHBondContact O-N 3.29Å; D743-R747 VanDerWaalsContact O-N 3.14Å; I744-R747 WeakPolarHBondContact O-CA 3.48Å; I744-R747 WeakPolarHBondContact O-CB 3.23Å; I744-R747 PolarHBondContact O-N 3.3Å
748L75.7Confident79.3Confident32 Ų3281.7 Ų81.717%0.16838%0.382CS..SBendtrans-98141.4-177.2-66.5163.2000111.8I744 R746 D752 Y755I744-L748 HydrophobicContact CG2-CD1 3.6Å; I744-L748 HydrophobicContact CG2-CG 4.35Å; I744-L748 WeakPolarHBondContact O-CD1 3.47Å; I744-L748 VanDerWaalsContact O-CG 3.23Å; I744-L748 WeakPolarHBondContact O-CG 3.39Å; I744-L748 PolarHBondContact O-N 3.47Å; I744-L748 VanDerWaalsContact O-N 3.17Å; R746-L748 VanDerWaalsContact C-N 3.27Å; L748-D752 HydrophobicContact CB-CB 4.18Å; L748-D752 HydrophobicContact CD2-CB 4.02Å; L748-Y755 HydrophobicContact CD1-CG 4.41Å; L748-Y755 HydrophobicContact CD2-CD2 3.64Å; L748-Y755 HydrophobicContact CD2-CG 3.79Å
749D74.1Confident79.5Confident124 Ų12479.6 Ų79.666%0.66337%0.369SS*.  trans-96.4172.9-177.2-97.1-32.3000113.2D751 D752 L756D749-D751 PolarHBondContact O-N 3.13Å; D749-D751 VanDerWaalsContact O-N 3.14Å; D749-D752 PolarHBondContact N-OD2 3.38Å; D749-D752 VanDerWaalsContact N-OD2 3.13Å; D749-D752 WeakPolarHBondContact O-CB 3.34Å; D749-D752 PolarHBondContact O-N 3.34Å; D749-L756 WeakPolarHBondContact O-CD1 3.16Å
750K68.5Low79.5Confident176 Ų17675.7 Ų75.777%0.76535%0.348SS*.THydrogen-bonded Turntrans-59.6-25179.9-66.2-174.6-179.5-175.10114
751D69.6Low79.5Confident157 Ų15779.6 Ų79.684%0.8436%0.36SS*.THydrogen-bonded Turntrans-82.3-15.5180-63.4-27000112.6D749 H753D749-D751 PolarHBondContact O-N 3.13Å; D749-D751 VanDerWaalsContact O-N 3.14Å; D751-H753 PolarHBondContact O-N 3.14Å
752D75.8Confident79.5Confident55 Ų5579.8 Ų79.829%0.29436%0.361SS..  trans-8149.5178.9-77.3-35.4000112L748 D749 E754 Y755 L756L748-D752 HydrophobicContact CB-CB 4.18Å; L748-D752 HydrophobicContact CD2-CB 4.02Å; D749-D752 PolarHBondContact N-OD2 3.38Å; D749-D752 VanDerWaalsContact N-OD2 3.13Å; D749-D752 WeakPolarHBondContact O-CB 3.34Å; D749-D752 PolarHBondContact O-N 3.34Å; D752-E754 VanDerWaalsContact C-N 3.25Å; D752-E754 PolarHBondContact O-N 3.13Å; D752-E754 VanDerWaalsContact O-N 3.17Å; D752-Y755 HydrophobicContact CB-CD2 3.84Å; D752-Y755 PolarHBondContact O-N 3.29Å; D752-L756 PolarHBondContact O-N 3.25Å
753H73.9Confident79.6Confident94 Ų9477.8 Ų77.844%0.43535%0.351SS..Hα-helixtrans-54.3-40.5-172.2-132.157.6000112.5D751 Y755 L756 E757 Y779D751-H753 PolarHBondContact O-N 3.14Å; H753-Y755 PolarHBondContact O-N 3.44Å; H753-L756 PolarHBondContact O-N 2.88Å; H753-E757 VanDerWaalsContact O-CB 3.23Å; H753-E757 WeakPolarHBondContact O-CB 3.19Å; H753-E757 PolarHBondContact O-N 3.08Å; H753-Y779 AromaticContact CE1-CD2 3.84Å; H753-Y779 AromaticContact CE1-CG 3.7Å; H753-Y779 AromaticContact NE2-CD2 3.89Å
754E82Confident79.5Confident113 Ų11374.3 Ų74.353%0.52833%0.334SS..Hα-helixtrans-65.6-40.6179.9-167.8-175.1161.800112.2D752 R758D752-E754 VanDerWaalsContact C-N 3.25Å; D752-E754 PolarHBondContact O-N 3.13Å; D752-E754 VanDerWaalsContact O-N 3.17Å; E754-R758 VanDerWaalsContact O-CB 3.29Å; E754-R758 WeakPolarHBondContact O-CB 3.5Å; E754-R758 WeakPolarHBondContact O-CG 3.46Å; E754-R758 PolarHBondContact O-N 3.13Å; E754-R758 VanDerWaalsContact O-N 3.07Å; E754-R758 IonicContact OE1-CZ 2.83Å; E754-R758 IonicContact OE1-NH1 2.75Å; E754-R758 PolarHBondContact OE1-NH1 3.39Å; E754-R758 IonicContact OE1-NH2 3.24Å
755Y84.4Confident79.1Confident82 Ų8281.9 Ų81.932%0.32236%0.361SS..Hα-helixtrans-77.2-35.2179.8-54.6-63.6000111.7I729 L748 D752 H753 R758 C759I729-Y755 HydrophobicContact CD1-CD1 4.43Å; L748-Y755 HydrophobicContact CD1-CG 4.41Å; L748-Y755 HydrophobicContact CD2-CD2 3.64Å; L748-Y755 HydrophobicContact CD2-CG 3.79Å; D752-Y755 HydrophobicContact CB-CD2 3.84Å; D752-Y755 PolarHBondContact O-N 3.29Å; H753-Y755 PolarHBondContact O-N 3.44Å; Y755-R758 PolarHBondContact O-N 3.01Å; Y755-C759 WeakPolarHBondContact O-CB 3.46Å; Y755-C759 PolarHBondContact O-N 2.91Å
756L81Confident79.1Confident29 Ų2983.2 Ų83.215%0.15237%0.367CS..Hα-helixtrans-71.1-41.1176-88169.4000112.6D749 D752 H753 R758 C759 A760D749-L756 WeakPolarHBondContact O-CD1 3.16Å; D752-L756 PolarHBondContact O-N 3.25Å; H753-L756 PolarHBondContact O-N 2.88Å; L756-R758 VanDerWaalsContact C-N 3.31Å; L756-C759 PolarHBondContact O-N 2.98Å; L756-A760 VanDerWaalsContact O-CB 3.26Å; L756-A760 WeakPolarHBondContact O-CB 3.38Å; L756-A760 PolarHBondContact O-N 2.97Å
757E83Confident78.8Confident62 Ų6276.2 Ų76.229%0.2935%0.351SS..Hα-helixtrans-63.9-41.2172-171.2-170.1167.900109.9H753 A760 R761H753-E757 VanDerWaalsContact O-CB 3.23Å; H753-E757 WeakPolarHBondContact O-CB 3.19Å; H753-E757 PolarHBondContact O-N 3.08Å; E757-A760 PolarHBondContact O-N 3.03Å; E757-R761 VanDerWaalsContact O-CB 3.27Å; E757-R761 WeakPolarHBondContact O-CB 3.35Å; E757-R761 WeakPolarHBondContact O-CG 3.38Å; E757-R761 PolarHBondContact O-N 3.39Å; E757-R761 IonicContact OE1-CZ 3.02Å; E757-R761 IonicContact OE1-NH1 2.73Å; E757-R761 PolarHBondContact OE1-NH1 3.14Å; E757-R761 IonicContact OE1-NH2 2.78Å; E757-R761 PolarHBondContact OE1-NH2 3.49Å
758R83.2Confident78.8Confident82 Ų8270.5 Ų70.531%0.30933%0.333SS..Hα-helixtrans-62.8-43.5172.7-86-178.2166.8140.31111.9E754 Y755 L756 R761 S762E754-R758 VanDerWaalsContact O-CB 3.29Å; E754-R758 WeakPolarHBondContact O-CB 3.5Å; E754-R758 WeakPolarHBondContact O-CG 3.46Å; E754-R758 PolarHBondContact O-N 3.13Å; E754-R758 VanDerWaalsContact O-N 3.07Å; E754-R758 IonicContact OE1-CZ 2.83Å; E754-R758 IonicContact OE1-NH1 2.75Å; E754-R758 PolarHBondContact OE1-NH1 3.39Å; E754-R758 IonicContact OE1-NH2 3.24Å; Y755-R758 PolarHBondContact O-N 3.01Å; L756-R758 VanDerWaalsContact C-N 3.31Å; R758-R761 PolarHBondContact O-N 3.46Å; R758-S762 WeakPolarHBondContact O-CB 3.47Å; R758-S762 PolarHBondContact O-N 3.33Å; R758-S762 PolarHBondContact O-OG 2.87Å
759C84.2Confident79Confident0 Ų072.8 Ų72.80%034%0.34CS..Hα-helixtrans-65.9-43.4175.7-94.20000112.2Y755 L756 R761 S762 L763Y755-C759 WeakPolarHBondContact O-CB 3.46Å; Y755-C759 PolarHBondContact O-N 2.91Å; L756-C759 PolarHBondContact O-N 2.98Å; C759-R761 VanDerWaalsContact C-N 3.34Å; C759-S762 CarbonylContact O-C 3.54Å; C759-S762 WeakPolarHBondContact O-CA 3.24Å; C759-S762 WeakPolarHBondContact O-CB 3.46Å; C759-S762 PolarHBondContact O-N 3.37Å; C759-S762 VanDerWaalsContact O-N 3.12Å; C759-L763 WeakPolarHBondContact O-CB 3.37Å; C759-L763 WeakPolarHBondContact O-CG 3.34Å; C759-L763 PolarHBondContact O-N 2.84Å
760A80.5Confident79.2Confident1 Ų170 Ų701%0.00834%0.335CS..Hα-helixtrans-60.3-47.4176.500000109.8L756 E757 S762 L763 T764 C775 Y776L756-A760 VanDerWaalsContact O-CB 3.26Å; L756-A760 WeakPolarHBondContact O-CB 3.38Å; L756-A760 PolarHBondContact O-N 2.97Å; E757-A760 PolarHBondContact O-N 3.03Å; A760-S762 VanDerWaalsContact C-N 3.31Å; A760-S762 PolarHBondContact O-N 3.15Å; A760-L763 PolarHBondContact O-N 2.92Å; A760-L763 VanDerWaalsContact O-N 3.17Å; A760-T764 PolarHBondContact O-N 3.13Å; A760-T764 PolarHBondContact O-OG1 3.06Å; A760-C775 HydrophobicContact CB-CB 3.56Å; A760-Y776 HydrophobicContact CB-CE1 4.37Å; A760-Y776 HydrophobicContact CB-CE2 4.08Å
761R83.1Confident79.9Confident119 Ų11966.3 Ų66.345%0.44932%0.318SS..Hα-helixtrans-56.2-45.1171.5-83.6-170.9176119.712.3112E757 R758 C759 T764 R765E757-R761 VanDerWaalsContact O-CB 3.27Å; E757-R761 WeakPolarHBondContact O-CB 3.35Å; E757-R761 WeakPolarHBondContact O-CG 3.38Å; E757-R761 PolarHBondContact O-N 3.39Å; E757-R761 IonicContact OE1-CZ 3.02Å; E757-R761 IonicContact OE1-NH1 2.73Å; E757-R761 PolarHBondContact OE1-NH1 3.14Å; E757-R761 IonicContact OE1-NH2 2.78Å; E757-R761 PolarHBondContact OE1-NH2 3.49Å; R758-R761 PolarHBondContact O-N 3.46Å; C759-R761 VanDerWaalsContact C-N 3.34Å; R761-T764 WeakPolarHBondContact CA-OG1 3.4Å; R761-T764 PolarHBondContact O-OG1 3.49Å; R761-R765 WeakPolarHBondContact O-CB 3.34Å; R761-R765 PolarHBondContact O-N 3.19Å
762S81.3Confident80.5Confident4 Ų458.8 Ų58.83%0.02828%0.278CS..Hα-helixtrans-61-46177.1-47.70000110D733 R758 C759 A760 R765 L766D733-S762 WeakPolarHBondContact OD1-CA 3.46Å; R758-S762 WeakPolarHBondContact O-CB 3.47Å; R758-S762 PolarHBondContact O-N 3.33Å; R758-S762 PolarHBondContact O-OG 2.87Å; C759-S762 CarbonylContact O-C 3.54Å; C759-S762 WeakPolarHBondContact O-CA 3.24Å; C759-S762 WeakPolarHBondContact O-CB 3.46Å; C759-S762 PolarHBondContact O-N 3.37Å; C759-S762 VanDerWaalsContact O-N 3.12Å; A760-S762 VanDerWaalsContact C-N 3.31Å; A760-S762 PolarHBondContact O-N 3.15Å; S762-R765 CarbonylContact O-C 3.57Å; S762-R765 WeakPolarHBondContact O-CA 3.43Å; S762-R765 WeakPolarHBondContact O-CB 3.34Å; S762-R765 PolarHBondContact O-N 3.09Å; S762-L766 WeakPolarHBondContact O-CG 3.25Å; S762-L766 PolarHBondContact O-N 3.14Å
763L82.2Confident80.6Confident2 Ų256.6 Ų56.61%0.0127%0.268CS..Hα-helixtrans-68.7-39-178.5-73.7164.8000113C759 A760 R765 L766 G767 E768 A772C759-L763 WeakPolarHBondContact O-CB 3.37Å; C759-L763 WeakPolarHBondContact O-CG 3.34Å; C759-L763 PolarHBondContact O-N 2.84Å; A760-L763 PolarHBondContact O-N 2.92Å; A760-L763 VanDerWaalsContact O-N 3.17Å; L763-R765 PolarHBondContact O-N 2.68Å; L763-L766 CarbonylContact O-C 3.55Å; L763-L766 WeakPolarHBondContact O-CA 3.47Å; L763-L766 PolarHBondContact O-N 3.5Å; L763-L766 VanDerWaalsContact O-N 3.07Å; L763-G767 PolarHBondContact O-N 2.81Å; L763-E768 HydrophobicContact CD2-CB 4.41Å; L763-E768 PolarHBondContact O-N 2.94Å; L763-A772 HydrophobicContact CB-CB 4.16Å
764T79.9Confident81Confident24 Ų2456.9 Ų56.915%0.14727%0.273CS..Hα-helixtrans-55.7-44.6166.217.90000110.7A760 R761 L766 G767 Y769 A772 L788A760-T764 PolarHBondContact O-N 3.13Å; A760-T764 PolarHBondContact O-OG1 3.06Å; R761-T764 WeakPolarHBondContact CA-OG1 3.4Å; R761-T764 PolarHBondContact O-OG1 3.49Å; T764-L766 PolarHBondContact O-N 3.27Å; T764-G767 PolarHBondContact O-N 2.79Å; T764-Y769 HydrophobicContact CG2-CD1 4.23Å; T764-A772 HydrophobicContact CG2-CB 3.78Å; T764-L788 HydrophobicContact CG2-CD2 3.24Å; T764-L788 HydrophobicContact CG2-CG 4.33Å
765R75.3Confident81Confident173 Ų17352.3 Ų52.365%0.65325%0.253SS*.Hα-helixtrans-62.3-29178.6-131.2174.7-95.8173.9-10.7112.1D733 R761 S762 L763 G767D733-R765 IonicContact OD2-CZ 3.44Å; D733-R765 IonicContact OD2-NE 3.52Å; D733-R765 IonicContact OD2-NH1 2.79Å; D733-R765 PolarHBondContact OD2-NH1 3.49Å; R761-R765 WeakPolarHBondContact O-CB 3.34Å; R761-R765 PolarHBondContact O-N 3.19Å; S762-R765 CarbonylContact O-C 3.57Å; S762-R765 WeakPolarHBondContact O-CA 3.43Å; S762-R765 WeakPolarHBondContact O-CB 3.34Å; S762-R765 PolarHBondContact O-N 3.09Å; L763-R765 PolarHBondContact O-N 2.68Å; R765-G767 VanDerWaalsContact C-N 3.28Å
766L80Confident81Confident43 Ų4349.2 Ų49.223%0.22524%0.241CC..THydrogen-bonded Turntrans-875.5177.7-62.9173.8000113.9T738 L741 S762 L763 T764 E768T738-L766 HydrophobicContact CG2-CB 3.71Å; T738-L766 HydrophobicContact CG2-CD1 3.55Å; T738-L766 HydrophobicContact CG2-CG 4.13Å; L741-L766 HydrophobicContact CD1-CD1 3.27Å; S762-L766 WeakPolarHBondContact O-CG 3.25Å; S762-L766 PolarHBondContact O-N 3.14Å; L763-L766 CarbonylContact O-C 3.55Å; L763-L766 WeakPolarHBondContact O-CA 3.47Å; L763-L766 PolarHBondContact O-N 3.5Å; L763-L766 VanDerWaalsContact O-N 3.07Å; T764-L766 PolarHBondContact O-N 3.27Å; L766-E768 PolarHBondContact O-N 3.18Å
767G74.9Confident81Confident35 Ų3550.2 Ų50.236%0.36125%0.253SS..THydrogen-bonded Turntrans75.26.8178.200000114L763 T764 R765 Y769L763-G767 PolarHBondContact O-N 2.81Å; T764-G767 PolarHBondContact O-N 2.79Å; R765-G767 VanDerWaalsContact C-N 3.28Å; G767-Y769 WeakPolarHBondContact O-CD2 3.34Å; G767-Y769 PolarHBondContact O-N 3.25Å
768E82.4Confident80.7Confident74 Ų7454.6 Ų54.635%0.34627%0.271SS..  trans-87.860.6178.8-77.7-66.4-176.100110.1T738 L763 L766 A770 F771 A772T738-E768 HydrophobicContact CG2-CG 4.23Å; L763-E768 HydrophobicContact CD2-CB 4.41Å; L763-E768 PolarHBondContact O-N 2.94Å; L766-E768 PolarHBondContact O-N 3.18Å; E768-A770 PolarHBondContact O-N 3.24Å; E768-F771 HydrophobicContact CB-CB 4.48Å; E768-F771 HydrophobicContact CB-CD2 3.98Å; E768-F771 HydrophobicContact CG-CD2 4.16Å; E768-F771 PolarHBondContact O-N 2.81Å; E768-F771 VanDerWaalsContact O-N 3.16Å; E768-F771 WeakPolarHBondContact OE2-CD2 3.28Å; E768-F771 VanDerWaalsContact OE2-CE2 3.31Å; E768-F771 WeakPolarHBondContact OE2-CE2 3.47Å; E768-A772 PolarHBondContact O-N 3.17Å
769Y80.3Confident80.5Confident79 Ų7955.2 Ų55.231%0.3127%0.274SS..Hα-helixtrans-59.9-32.7-172.8-59.7-70.6000112.6T764 G767 A773 L788 E791T764-Y769 HydrophobicContact CG2-CD1 4.23Å; G767-Y769 WeakPolarHBondContact O-CD2 3.34Å; G767-Y769 PolarHBondContact O-N 3.25Å; Y769-A773 WeakPolarHBondContact O-CB 3.45Å; Y769-A773 PolarHBondContact O-N 3.5Å; Y769-L788 HydrophobicContact CD1-CD2 3.68Å; Y769-L788 HydrophobicContact CG-CD2 4.39Å; Y769-E791 HydrophobicContact CE1-CB 4.17Å
770A78.3Confident79.9Confident67 Ų6758 Ų5855%0.55430%0.303SS*.Hα-helixtrans-66.5-46.8176.500000112.1E768 A773 D774E768-A770 PolarHBondContact O-N 3.24Å; A770-A773 WeakPolarHBondContact O-CB 3.45Å; A770-A773 PolarHBondContact O-N 3Å; A770-D774 PolarHBondContact O-N 2.74Å
771F82.1Confident79.9Confident97 Ų9760.3 Ų60.343%0.42532%0.315SS..Hα-helixtrans-71.3-32.4178.9-63.5-63.2000112.3E768 D774 C775E768-F771 HydrophobicContact CB-CB 4.48Å; E768-F771 HydrophobicContact CB-CD2 3.98Å; E768-F771 HydrophobicContact CG-CD2 4.16Å; E768-F771 PolarHBondContact O-N 2.81Å; E768-F771 VanDerWaalsContact O-N 3.16Å; E768-F771 WeakPolarHBondContact OE2-CD2 3.28Å; E768-F771 VanDerWaalsContact OE2-CE2 3.31Å; E768-F771 WeakPolarHBondContact OE2-CE2 3.47Å; F771-D774 WeakPolarHBondContact O-CB 3.34Å; F771-D774 PolarHBondContact O-N 3.45Å; F771-C775 PolarHBondContact O-N 3.05Å; F771-C775 PolarHBondContact O-SG 3.38Å
772A82.1Confident79.6Confident0 Ų059.7 Ų59.70%032%0.319CS..Hα-helixtrans-69.2-42.1172.300000111.6L763 T764 E768 D774 C775 Y776 L788L763-A772 HydrophobicContact CB-CB 4.16Å; T764-A772 HydrophobicContact CG2-CB 3.78Å; E768-A772 PolarHBondContact O-N 3.17Å; A772-D774 PolarHBondContact O-N 2.94Å; A772-C775 WeakPolarHBondContact O-CA 3.32Å; A772-C775 WeakPolarHBondContact O-CB 3.44Å; A772-C775 PolarHBondContact O-N 2.83Å; A772-Y776 WeakPolarHBondContact O-CD2 3.09Å; A772-Y776 PolarHBondContact O-N 3.01Å; A772-L788 HydrophobicContact CB-CD2 4.35Å
773A79.5Confident79.6Confident8 Ų864.5 Ų64.57%0.06634%0.342CS..Hα-helixtrans-57.3-38.5171.200000111Y769 A770 Y776 A777 L788Y769-A773 WeakPolarHBondContact O-CB 3.45Å; Y769-A773 PolarHBondContact O-N 3.5Å; A770-A773 WeakPolarHBondContact O-CB 3.45Å; A770-A773 PolarHBondContact O-N 3Å; A773-Y776 PolarHBondContact O-N 2.91Å; A773-A777 WeakPolarHBondContact O-CB 3.4Å; A773-A777 PolarHBondContact O-N 3.28Å; A773-L788 VanDerWaalsContact CA-CD1 3.48Å; A773-L788 HydrophobicContact CB-CD1 3.78Å
774D81.1Confident79.5Confident101 Ų10167.1 Ų67.154%0.5436%0.355SS..Hα-helixtrans-65.2-38.8173-91.8-7000113A770 F771 A772 A777 K778A770-D774 PolarHBondContact O-N 2.74Å; F771-D774 WeakPolarHBondContact O-CB 3.34Å; F771-D774 PolarHBondContact O-N 3.45Å; A772-D774 PolarHBondContact O-N 2.94Å; D774-A777 PolarHBondContact O-N 2.88Å; D774-K778 WeakPolarHBondContact O-CB 3.48Å; D774-K778 WeakPolarHBondContact O-CG 3.3Å; D774-K778 PolarHBondContact O-N 3Å
775C82.1Confident79.7Confident16 Ų1668.4 Ų68.411%0.10836%0.36CS..Hα-helixtrans-60.7-44.2172-72.70000111.5A760 F771 A772 K778 Y779A760-C775 HydrophobicContact CB-CB 3.56Å; F771-C775 PolarHBondContact O-N 3.05Å; F771-C775 PolarHBondContact O-SG 3.38Å; A772-C775 WeakPolarHBondContact O-CA 3.32Å; A772-C775 WeakPolarHBondContact O-CB 3.44Å; A772-C775 PolarHBondContact O-N 2.83Å; C775-K778 WeakPolarHBondContact O-CB 3.24Å; C775-K778 PolarHBondContact O-N 3.33Å; C775-Y779 VanDerWaalsContact O-CD1 3.3Å; C775-Y779 WeakPolarHBondContact O-CD1 3.23Å
776Y83.6Confident79.9Confident18 Ų1860.9 Ų60.97%0.07133%0.332CS..Hα-helixtrans-70.7-34.8176.6-70-63.1000112.6A760 A772 A773 K778 Y779 G780 D781 N784 L788A760-Y776 HydrophobicContact CB-CE1 4.37Å; A760-Y776 HydrophobicContact CB-CE2 4.08Å; A772-Y776 WeakPolarHBondContact O-CD2 3.09Å; A772-Y776 PolarHBondContact O-N 3.01Å; A773-Y776 PolarHBondContact O-N 2.91Å; Y776-K778 VanDerWaalsContact C-N 3.34Å; Y776-Y779 AromaticContact CD1-CE1 3.62Å; Y776-Y779 HydrophobicContact CD1-CE1 3.62Å; Y776-Y779 AromaticContact CD1-CZ 3.63Å; Y776-Y779 WeakPolarHBondContact CD1-OH 3.26Å; Y776-Y779 HydrophobicContact CE1-CE1 4.25Å; Y776-Y779 VanDerWaalsContact CE1-OH 3.28Å; Y776-Y779 WeakPolarHBondContact CE1-OH 2.93Å; Y776-Y779 HydrophobicContact CG-CE1 4.48Å; Y776-Y779 PolarHBondContact O-N 3.16Å; Y776-G780 PolarHBondContact O-N 3.27Å; Y776-D781 PolarHBondContact O-N 3.3Å; Y776-N784 HydrophobicContact CD1-CB 4.26Å; Y776-N784 HydrophobicContact CG-CB 4.27Å; Y776-L788 HydrophobicContact CD2-CD1 3.55Å; Y776-L788 HydrophobicContact CE2-CD1 4.07Å
777A81.2Confident80Confident50 Ų5061.5 Ų61.541%0.41334%0.336SS..Hα-helixtrans-67.7-33.3174.600000112A773 D774 Y779 G780A773-A777 WeakPolarHBondContact O-CB 3.4Å; A773-A777 PolarHBondContact O-N 3.28Å; D774-A777 PolarHBondContact O-N 2.88Å; A777-Y779 PolarHBondContact O-N 2.79Å; A777-Y779 VanDerWaalsContact O-N 3.13Å; A777-G780 PolarHBondContact O-N 3.41Å
778K76.8Confident80.5Confident154 Ų15460 Ų6067%0.6732%0.32SS*.THydrogen-bonded Turntrans-58.4-24.6176.1-88.2179.9-178.8176.60113.3D774 C775 Y776D774-K778 WeakPolarHBondContact O-CB 3.48Å; D774-K778 WeakPolarHBondContact O-CG 3.3Å; D774-K778 PolarHBondContact O-N 3Å; C775-K778 WeakPolarHBondContact O-CB 3.24Å; C775-K778 PolarHBondContact O-N 3.33Å; Y776-K778 VanDerWaalsContact C-N 3.34Å
779Y78.7Confident80.6Confident95 Ų9558.6 Ų58.637%0.37331%0.312SS..THydrogen-bonded Turntrans-122.5-3.9176.978.7-96.2000115.5H753 C775 Y776 A777 D781H753-Y779 AromaticContact CE1-CD2 3.84Å; H753-Y779 AromaticContact CE1-CG 3.7Å; H753-Y779 AromaticContact NE2-CD2 3.89Å; C775-Y779 VanDerWaalsContact O-CD1 3.3Å; C775-Y779 WeakPolarHBondContact O-CD1 3.23Å; Y776-Y779 AromaticContact CD1-CE1 3.62Å; Y776-Y779 HydrophobicContact CD1-CE1 3.62Å; Y776-Y779 AromaticContact CD1-CZ 3.63Å; Y776-Y779 WeakPolarHBondContact CD1-OH 3.26Å; Y776-Y779 HydrophobicContact CE1-CE1 4.25Å; Y776-Y779 VanDerWaalsContact CE1-OH 3.28Å; Y776-Y779 WeakPolarHBondContact CE1-OH 2.93Å; Y776-Y779 HydrophobicContact CG-CE1 4.48Å; Y776-Y779 PolarHBondContact O-N 3.16Å; A777-Y779 PolarHBondContact O-N 2.79Å; A777-Y779 VanDerWaalsContact O-N 3.13Å; Y779-D781 HydrophobicContact CE2-CB 4.19Å
780G71.6Confident80.6Confident59 Ų5956.1 Ų56.161%0.60830%0.303SS*.THydrogen-bonded Turntrans102.935.4156.500000118.5Y776 A777Y776-G780 PolarHBondContact O-N 3.27Å; A777-G780 PolarHBondContact O-N 3.41Å
781D80.6Confident80.6Confident49 Ų4958 Ų5826%0.26230%0.301SS..  trans-106106.6-175.5-168.2-15.1000114.2Y776 Y779 E783 N784 Q785Y776-D781 PolarHBondContact O-N 3.3Å; Y779-D781 HydrophobicContact CE2-CB 4.19Å; D781-E783 PolarHBondContact OD1-N 3.35Å; D781-N784 HydrophobicContact CB-CB 4.49Å; D781-N784 PolarHBondContact OD1-N 3.18Å; D781-N784 PolarHBondContact OD2-ND2 2.51Å; D781-Q785 PolarHBondContact O-N 2.89Å
782I77.9Confident80.5Confident105 Ų10555.5 Ų55.554%0.53830%0.296SS..Hα-helixtrans-78.5-30.8-174.8-54.2170.6000112.3Q785 L786I782-Q785 WeakPolarHBondContact O-CB 3.38Å; I782-Q785 PolarHBondContact O-N 3.32Å; I782-L786 PolarHBondContact O-N 3.05Å
783E80.6Confident80.4Confident106 Ų10659.4 Ų59.450%0.49531%0.314SS..Hα-helixtrans-70.4-42.9-177.3-169.8167.3-156.300110.3D781 Q785 L786 N787 K811D781-E783 PolarHBondContact OD1-N 3.35Å; E783-Q785 PolarHBondContact O-N 3.05Å; E783-L786 PolarHBondContact O-N 2.94Å; E783-N787 PolarHBondContact O-N 3.08Å; E783-N787 PolarHBondContact O-ND2 3.36Å; E783-K811 IonicContact OE1-NZ 2.78Å; E783-K811 PolarHBondContact OE1-NZ 3.03Å
784N81.1Confident80.6Confident56 Ų5662.5 Ų62.530%0.29933%0.329SS..Hα-helixtrans-66-29.2172.8-78.2-36000112.4Y776 D781 L788Y776-N784 HydrophobicContact CD1-CB 4.26Å; Y776-N784 HydrophobicContact CG-CB 4.27Å; D781-N784 HydrophobicContact CB-CB 4.49Å; D781-N784 PolarHBondContact OD1-N 3.18Å; D781-N784 PolarHBondContact OD2-ND2 2.51Å; N784-L788 WeakPolarHBondContact O-CB 3.07Å; N784-L788 WeakPolarHBondContact O-CD1 3.1Å; N784-L788 VanDerWaalsContact O-CG 3.28Å; N784-L788 WeakPolarHBondContact O-CG 3.39Å; N784-L788 PolarHBondContact O-N 2.61Å
785Q84Confident80.7Confident52 Ų5258.6 Ų58.624%0.24331%0.307CS..Hα-helixtrans-69.9-43.2174.1-160.4-177.75.500113D781 I782 E783 N787 L788 Y789D781-Q785 PolarHBondContact O-N 2.89Å; I782-Q785 WeakPolarHBondContact O-CB 3.38Å; I782-Q785 PolarHBondContact O-N 3.32Å; E783-Q785 PolarHBondContact O-N 3.05Å; Q785-N787 VanDerWaalsContact C-N 3.33Å; Q785-L788 WeakPolarHBondContact O-CB 3.5Å; Q785-L788 PolarHBondContact O-N 3.12Å; Q785-Y789 HydrophobicContact CG-CD2 4.35Å; Q785-Y789 HydrophobicContact CG-CE2 3.79Å; Q785-Y789 WeakPolarHBondContact O-CD2 3.31Å; Q785-Y789 PolarHBondContact O-N 3.43Å; Q785-Y789 VanDerWaalsContact O-N 3.08Å
786L79.3Confident80.8Confident14 Ų1465.2 Ų65.27%0.07334%0.336CS..Hα-helixtrans-63.6-40.5173.6-104.2162000111.5I782 E783 L788 Y789 I790 L801 Y808I782-L786 PolarHBondContact O-N 3.05Å; E783-L786 PolarHBondContact O-N 2.94Å; L786-L788 VanDerWaalsContact C-N 3.29Å; L786-L788 PolarHBondContact O-N 3.09Å; L786-Y789 PolarHBondContact O-N 3.32Å; L786-I790 VanDerWaalsContact O-CG1 3.28Å; L786-I790 WeakPolarHBondContact O-CG1 3.4Å; L786-I790 PolarHBondContact O-N 3.14Å; L786-L801 HydrophobicContact CD2-CB 4.04Å; L786-L801 HydrophobicContact CD2-CD1 4.34Å; L786-L801 HydrophobicContact CG-CB 4.41Å; L786-L801 HydrophobicContact CG-CD1 4.21Å; L786-Y808 HydrophobicContact CD1-CD2 4.46Å
787N83Confident80.7Confident56 Ų5668.6 Ų68.630%0.29935%0.352SS..Hα-helixtrans-60.2-41.4174.9-67.2-21.9000111.1E783 Q785 Y789 I790 E791E783-N787 PolarHBondContact O-N 3.08Å; E783-N787 PolarHBondContact O-ND2 3.36Å; Q785-N787 VanDerWaalsContact C-N 3.33Å; N787-Y789 VanDerWaalsContact C-N 3.35Å; N787-Y789 PolarHBondContact O-N 3.42Å; N787-I790 PolarHBondContact O-N 2.61Å; N787-E791 WeakPolarHBondContact O-CB 3.28Å; N787-E791 WeakPolarHBondContact O-CG 3.43Å; N787-E791 PolarHBondContact O-N 3.31Å
788L84Confident80.7Confident5 Ų566.2 Ų66.23%0.02633%0.333CS..Hα-helixtrans-62.4-36.1174.4-84163.4000113.7T764 Y769 A772 A773 Y776 N784 Q785 L786 S792T764-L788 HydrophobicContact CG2-CD2 3.24Å; T764-L788 HydrophobicContact CG2-CG 4.33Å; Y769-L788 HydrophobicContact CD1-CD2 3.68Å; Y769-L788 HydrophobicContact CG-CD2 4.39Å; A772-L788 HydrophobicContact CB-CD2 4.35Å; A773-L788 VanDerWaalsContact CA-CD1 3.48Å; A773-L788 HydrophobicContact CB-CD1 3.78Å; Y776-L788 HydrophobicContact CD2-CD1 3.55Å; Y776-L788 HydrophobicContact CE2-CD1 4.07Å; N784-L788 WeakPolarHBondContact O-CB 3.07Å; N784-L788 WeakPolarHBondContact O-CD1 3.1Å; N784-L788 VanDerWaalsContact O-CG 3.28Å; N784-L788 WeakPolarHBondContact O-CG 3.39Å; N784-L788 PolarHBondContact O-N 2.61Å; Q785-L788 WeakPolarHBondContact O-CB 3.5Å; Q785-L788 PolarHBondContact O-N 3.12Å; L786-L788 VanDerWaalsContact C-N 3.29Å; L786-L788 PolarHBondContact O-N 3.09Å; L788-S792 WeakPolarHBondContact O-CB 3.22Å; L788-S792 PolarHBondContact O-N 3.02Å; L788-S792 PolarHBondContact O-OG 3.49Å
789Y83.8Confident80.9Confident43 Ų4361.5 Ų61.517%0.16931%0.312CS..Hα-helixtrans-74.3-37.1176.9-71.2-52.2000113.3Q785 L786 N787 E791 S792 H793 N794 E797 L801Q785-Y789 HydrophobicContact CG-CD2 4.35Å; Q785-Y789 HydrophobicContact CG-CE2 3.79Å; Q785-Y789 WeakPolarHBondContact O-CD2 3.31Å; Q785-Y789 PolarHBondContact O-N 3.43Å; Q785-Y789 VanDerWaalsContact O-N 3.08Å; L786-Y789 PolarHBondContact O-N 3.32Å; N787-Y789 VanDerWaalsContact C-N 3.35Å; N787-Y789 PolarHBondContact O-N 3.42Å; Y789-E791 VanDerWaalsContact C-N 3.34Å; Y789-S792 WeakPolarHBondContact CA-OG 3.2Å; Y789-S792 PolarHBondContact O-N 2.9Å; Y789-S792 PolarHBondContact O-OG 3.25Å; Y789-H793 PolarHBondContact O-N 3.42Å; Y789-H793 VanDerWaalsContact O-N 3.16Å; Y789-N794 PolarHBondContact O-N 2.94Å; Y789-E797 HydrophobicContact CD1-CB 4.39Å; Y789-E797 HydrophobicContact CE1-CB 4.43Å; Y789-E797 VanDerWaalsContact CE1-OE2 3.25Å; Y789-E797 WeakPolarHBondContact CE1-OE2 3.28Å; Y789-E797 PolarHBondContact OH-OE2 2.99Å; Y789-L801 HydrophobicContact CD2-CD1 4.02Å; Y789-L801 HydrophobicContact CE2-CD1 4.01Å
790I81.3Confident81.1Confident27 Ų2761.5 Ų61.514%0.13832%0.319CS..Hα-helixtrans-64.5-43.6171.7-64.9165.1000109.5L786 N787 S792 H793 W795 V812 P815L786-I790 VanDerWaalsContact O-CG1 3.28Å; L786-I790 WeakPolarHBondContact O-CG1 3.4Å; L786-I790 PolarHBondContact O-N 3.14Å; N787-I790 PolarHBondContact O-N 2.61Å; I790-S792 VanDerWaalsContact C-N 3.35Å; I790-S792 PolarHBondContact O-N 3.3Å; I790-H793 PolarHBondContact O-N 2.79Å; I790-H793 VanDerWaalsContact O-N 3.13Å; I790-H793 PolarHBondContact O-ND1 3.21Å; I790-W795 HydrophobicContact CG2-CH2 4.27Å; I790-W795 HydrophobicContact CG2-CZ3 4.28Å; I790-V812 HydrophobicContact CD1-CG2 4.21Å; I790-P815 HydrophobicContact CG2-CB 3.89Å; I790-P815 HydrophobicContact CG2-CG 3.93Å
791E78Confident81.3Confident107 Ų10760.6 Ų60.650%0.530%0.3SS..Hα-helixtrans-64.1-36.1176-82.8-176.4162.100112.8Y769 N787 Y789 H793Y769-E791 HydrophobicContact CE1-CB 4.17Å; N787-E791 WeakPolarHBondContact O-CB 3.28Å; N787-E791 WeakPolarHBondContact O-CG 3.43Å; N787-E791 PolarHBondContact O-N 3.31Å; Y789-E791 VanDerWaalsContact C-N 3.34Å; E791-H793 PolarHBondContact O-N 2.79Å
792S81.2Confident81.3Confident45 Ų4558.7 Ų58.732%0.31529%0.29SS..THydrogen-bonded Turntrans-83.44.1175.757.30000113.7L788 Y789 I790 N794L788-S792 WeakPolarHBondContact O-CB 3.22Å; L788-S792 PolarHBondContact O-N 3.02Å; L788-S792 PolarHBondContact O-OG 3.49Å; Y789-S792 WeakPolarHBondContact CA-OG 3.2Å; Y789-S792 PolarHBondContact O-N 2.9Å; Y789-S792 PolarHBondContact O-OG 3.25Å; I790-S792 VanDerWaalsContact C-N 3.35Å; I790-S792 PolarHBondContact O-N 3.3Å; S792-N794 PolarHBondContact O-N 3.23Å; S792-N794 VanDerWaalsContact O-N 3.07Å
793H78.7Confident81.3Confident82 Ų8260.4 Ų60.438%0.3830%0.296SS..THydrogen-bonded Turntrans51.228.4-177-60.7-47000114.1Y789 I790 E791 W795 W819Y789-H793 PolarHBondContact O-N 3.42Å; Y789-H793 VanDerWaalsContact O-N 3.16Å; I790-H793 PolarHBondContact O-N 2.79Å; I790-H793 VanDerWaalsContact O-N 3.13Å; I790-H793 PolarHBondContact O-ND1 3.21Å; E791-H793 PolarHBondContact O-N 2.79Å; H793-W795 HydrophobicContact CB-CZ2 4.28Å; H793-W795 AromaticContact ND1-CE2 3.89Å; H793-W795 AromaticContact ND1-CH2 3.95Å; H793-W795 AromaticContact ND1-CZ2 3.22Å; H793-W795 WeakPolarHBondContact ND1-CZ2 3.47Å; H793-W795 PolarHBondContact O-N 3.02Å; H793-W795 PolarHBondContact O-NE1 2.77Å; H793-W819 AromaticContact CD2-CD1 3.72Å; H793-W819 AromaticContact CD2-NE1 3.61Å; H793-W819 AromaticContact CE1-CD1 3.41Å; H793-W819 VanDerWaalsContact CE1-CD1 3.41Å; H793-W819 AromaticContact CG-CD1 3.54Å; H793-W819 AromaticContact CG-NE1 3.49Å; H793-W819 AromaticContact ND1-CD1 3.36Å; H793-W819 AromaticContact ND1-NE1 3.82Å; H793-W819 AromaticContact NE2-CD1 3.61Å; H793-W819 AromaticContact NE2-NE1 3.97Å
794N83.7Confident81.2Confident72 Ų7263.2 Ų63.239%0.38531%0.306SS..  trans-85.768.1178.5-149.9-1.4000108.7Y789 S792 E796 E797 A798Y789-N794 PolarHBondContact O-N 2.94Å; S792-N794 PolarHBondContact O-N 3.23Å; S792-N794 VanDerWaalsContact O-N 3.07Å; N794-E796 PolarHBondContact O-N 3.1Å; N794-E796 VanDerWaalsContact O-N 3.14Å; N794-E797 PolarHBondContact O-N 2.76Å; N794-E797 VanDerWaalsContact O-N 3.16Å; N794-A798 PolarHBondContact O-N 2.79Å; N794-A798 VanDerWaalsContact O-N 3.12Å
795W84.6Confident80.8Confident20 Ų2065.5 Ų65.58%0.07632%0.315CS..Hα-helixtrans-59.4-28.1-171-57.1110.7000112.1I790 H793 A798 F799 V812 P815 Y816 W819I790-W795 HydrophobicContact CG2-CH2 4.27Å; I790-W795 HydrophobicContact CG2-CZ3 4.28Å; H793-W795 HydrophobicContact CB-CZ2 4.28Å; H793-W795 AromaticContact ND1-CE2 3.89Å; H793-W795 AromaticContact ND1-CH2 3.95Å; H793-W795 AromaticContact ND1-CZ2 3.22Å; H793-W795 WeakPolarHBondContact ND1-CZ2 3.47Å; H793-W795 PolarHBondContact O-N 3.02Å; H793-W795 PolarHBondContact O-NE1 2.77Å; W795-A798 PolarHBondContact O-N 2.86Å; W795-F799 HydrophobicContact CB-CD2 4.01Å; W795-F799 HydrophobicContact CB-CE2 3.61Å; W795-F799 HydrophobicContact CB-CZ 4.23Å; W795-F799 VanDerWaalsContact O-CB 3.28Å; W795-F799 WeakPolarHBondContact O-CB 3.33Å; W795-F799 WeakPolarHBondContact O-CD2 3.46Å; W795-F799 WeakPolarHBondContact O-CG 3.32Å; W795-F799 PolarHBondContact O-N 2.84Å; W795-V812 HydrophobicContact CE3-CG1 4.2Å; W795-V812 HydrophobicContact CZ3-CG1 4.38Å; W795-P815 HydrophobicContact CH2-CB 3.97Å; W795-P815 WeakPolarHBondContact CH2-O 3.28Å; W795-P815 HydrophobicContact CZ3-CB 4.28Å; W795-P815 HydrophobicContact CZ3-CG 4.32Å; W795-Y816 AromaticContact CD2-CD2 3.86Å; W795-Y816 HydrophobicContact CD2-CD2 3.86Å; W795-Y816 HydrophobicContact CE3-CD2 4.28Å; W795-Y816 HydrophobicContact CG-CD2 4.04Å; W795-Y816 HydrophobicContact CG-CE2 4.44Å; W795-W819 AromaticContact CE2-CD2 3.98Å; W795-W819 AromaticContact CE2-CG 3.82Å; W795-W819 HydrophobicContact CH2-CB 4.2Å; W795-W819 HydrophobicContact CZ2-CB 3.41Å; W795-W819 VanDerWaalsContact CZ2-CB 3.41Å; W795-W819 AromaticContact CZ2-CD1 3.87Å; W795-W819 HydrophobicContact CZ2-CD2 4.15Å; W795-W819 AromaticContact CZ2-CG 3.5Å; W795-W819 HydrophobicContact CZ2-CG 3.5Å; W795-W819 VanDerWaalsContact CZ2-CG 3.5Å; W795-W819 AromaticContact NE1-CD1 3.96Å; W795-W819 AromaticContact NE1-CD2 3.3Å; W795-W819 VanDerWaalsContact NE1-CD2 3.3Å; W795-W819 AromaticContact NE1-CE2 3.51Å; W795-W819 AromaticContact NE1-CE3 3.68Å; W795-W819 AromaticContact NE1-CG 3.6Å; W795-W819 AromaticContact NE1-NE1 3.85Å
796E83Confident80.4Confident154 Ų15469.3 Ų69.372%0.7233%0.333SS*.Hα-helixtrans-63.8-49.5175.6-71.2-171.916200112.7N794 A798 F799 N800N794-E796 PolarHBondContact O-N 3.1Å; N794-E796 VanDerWaalsContact O-N 3.14Å; E796-A798 VanDerWaalsContact C-N 3.31Å; E796-A798 PolarHBondContact O-N 3.45Å; E796-F799 PolarHBondContact O-N 3.09Å; E796-N800 WeakPolarHBondContact O-CB 3.39Å; E796-N800 PolarHBondContact O-N 2.8Å
797E80.8Confident80.3Confident89 Ų8975.9 Ų75.942%0.41637%0.368SS..Hα-helixtrans-68.2-33.7176.5-69.6-136.2153.800111.4Y789 N794 N800 L801Y789-E797 HydrophobicContact CD1-CB 4.39Å; Y789-E797 HydrophobicContact CE1-CB 4.43Å; Y789-E797 VanDerWaalsContact CE1-OE2 3.25Å; Y789-E797 WeakPolarHBondContact CE1-OE2 3.28Å; Y789-E797 PolarHBondContact OH-OE2 2.99Å; N794-E797 PolarHBondContact O-N 2.76Å; N794-E797 VanDerWaalsContact O-N 3.16Å; E797-N800 PolarHBondContact O-N 3.44Å; E797-L801 PolarHBondContact O-N 2.94Å
798A81.2Confident80.1Confident0 Ų077 Ų770%037%0.368CS..Hα-helixtrans-66.5-46.9175.100000112.3N794 W795 E796 N800 L801 V802 V812N794-A798 PolarHBondContact O-N 2.79Å; N794-A798 VanDerWaalsContact O-N 3.12Å; W795-A798 PolarHBondContact O-N 2.86Å; E796-A798 VanDerWaalsContact C-N 3.31Å; E796-A798 PolarHBondContact O-N 3.45Å; A798-N800 VanDerWaalsContact C-N 3.33Å; A798-N800 PolarHBondContact O-N 3.31Å; A798-L801 PolarHBondContact O-N 3.44Å; A798-V802 VanDerWaalsContact O-CG2 3.28Å; A798-V802 WeakPolarHBondContact O-CG2 3.49Å; A798-V802 PolarHBondContact O-N 3.15Å; A798-V812 HydrophobicContact CB-CG1 4.31Å
799F81.9Confident79.7Confident55 Ų5579.4 Ų79.424%0.24138%0.383CS..Hα-helixtrans-64-37.9175.7-66.8-45000111.1W795 E796 L801 V802 E803 V812 Y813 Y816W795-F799 HydrophobicContact CB-CD2 4.01Å; W795-F799 HydrophobicContact CB-CE2 3.61Å; W795-F799 HydrophobicContact CB-CZ 4.23Å; W795-F799 VanDerWaalsContact O-CB 3.28Å; W795-F799 WeakPolarHBondContact O-CB 3.33Å; W795-F799 WeakPolarHBondContact O-CD2 3.46Å; W795-F799 WeakPolarHBondContact O-CG 3.32Å; W795-F799 PolarHBondContact O-N 2.84Å; E796-F799 PolarHBondContact O-N 3.09Å; F799-L801 PolarHBondContact O-N 2.86Å; F799-V802 PolarHBondContact O-N 3.1Å; F799-E803 PolarHBondContact O-N 3.41Å; F799-V812 HydrophobicContact CD1-CG1 3.68Å; F799-V812 HydrophobicContact CE1-CG1 3.47Å; F799-V812 VanDerWaalsContact CE1-CG1 3.47Å; F799-V812 HydrophobicContact CZ-CG1 4.38Å; F799-Y813 HydrophobicContact CE1-CE1 4.35Å; F799-Y816 HydrophobicContact CZ-CD1 4.31Å; F799-Y816 HydrophobicContact CZ-CD2 4.17Å; F799-Y816 HydrophobicContact CZ-CG 4.04Å
800N82.6Confident79.5Confident96 Ų9685.7 Ų85.751%0.51341%0.407SS..Hα-helixtrans-62.1-38.6173.6-91.2-30.8000113.3E796 E797 A798E796-N800 WeakPolarHBondContact O-CB 3.39Å; E796-N800 PolarHBondContact O-N 2.8Å; E797-N800 PolarHBondContact O-N 3.44Å; A798-N800 VanDerWaalsContact C-N 3.33Å; A798-N800 PolarHBondContact O-N 3.31Å
801L77.1Confident79.4Confident40 Ų4088.3 Ų88.321%0.20942%0.417CS..Hα-helixtrans-71.4-36.9174.4-97.6156.4000112L786 Y789 E797 A798 F799 K804 H805L786-L801 HydrophobicContact CD2-CB 4.04Å; L786-L801 HydrophobicContact CD2-CD1 4.34Å; L786-L801 HydrophobicContact CG-CB 4.41Å; L786-L801 HydrophobicContact CG-CD1 4.21Å; Y789-L801 HydrophobicContact CD2-CD1 4.02Å; Y789-L801 HydrophobicContact CE2-CD1 4.01Å; E797-L801 PolarHBondContact O-N 2.94Å; A798-L801 PolarHBondContact O-N 3.44Å; F799-L801 PolarHBondContact O-N 2.86Å; L801-K804 PolarHBondContact O-N 3.05Å; L801-H805 PolarHBondContact O-N 2.84Å; L801-H805 VanDerWaalsContact O-N 3.08Å
802V79Confident79.7Confident9 Ų983.2 Ų83.26%0.05539%0.393CS..Hα-helixtrans-71.5-35177.7171.20000112.7A798 F799 K804 H805 H806 V812A798-V802 VanDerWaalsContact O-CG2 3.28Å; A798-V802 WeakPolarHBondContact O-CG2 3.49Å; A798-V802 PolarHBondContact O-N 3.15Å; F799-V802 PolarHBondContact O-N 3.1Å; V802-K804 PolarHBondContact O-N 3.27Å; V802-H805 CarbonylContact O-C 3.56Å; V802-H805 PolarHBondContact O-N 2.87Å; V802-H805 VanDerWaalsContact O-N 3.13Å; V802-H806 PolarHBondContact O-N 3.05Å; V802-V812 HydrophobicContact CG2-CB 3.88Å; V802-V812 HydrophobicContact CG2-CG1 4.48Å; V802-V812 HydrophobicContact CG2-CG2 3.25Å
803E79.1Confident79.8Confident140 Ų14085.7 Ų85.765%0.65440%0.396SS*.Hα-helixtrans-62.5-31171.8-80.1-170.8163.900111.7F799F799-E803 PolarHBondContact O-N 3.41Å
804K77.1Confident80Confident166 Ų16684 Ų8472%0.72239%0.39SS*.Hα-helixtrans-78.3-26.5173.1-68.9178.3-177.31730113.2L801 V802L801-K804 PolarHBondContact O-N 3.05Å; V802-K804 PolarHBondContact O-N 3.27Å
805H74.5Confident80Confident104 Ų10482 Ų8248%0.48138%0.381SS..  trans-137.184.6-178.6-67.4-70.8000111.3L801 V802 D807 Y808L801-H805 PolarHBondContact O-N 2.84Å; L801-H805 VanDerWaalsContact O-N 3.08Å; V802-H805 CarbonylContact O-C 3.56Å; V802-H805 PolarHBondContact O-N 2.87Å; V802-H805 VanDerWaalsContact O-N 3.13Å; H805-D807 PolarHBondContact O-N 3.05Å; H805-Y808 HydrophobicContact CB-CD2 3.68Å; H805-Y808 HydrophobicContact CB-CE2 3.89Å; H805-Y808 WeakPolarHBondContact O-CD2 3.34Å; H805-Y808 PolarHBondContact O-N 2.93Å
806H74.3Confident80.1Confident132 Ų13284 Ų8461%0.61139%0.389SS*.G310 helixtrans-59.9-19.7-174.4-68-61.5000115.3V802 Y808 T809V802-H806 PolarHBondContact O-N 3.05Å; H806-Y808 PolarHBondContact O-N 3.39Å; H806-T809 PolarHBondContact O-N 3.05Å; H806-T809 PolarHBondContact O-OG1 3.34Å
807D77.7Confident79.9Confident151 Ų15176.6 Ų76.681%0.80735%0.354SS*.G310 helixtrans-56.6-20.2176.4-60-24.1000112.4H805H805-D807 PolarHBondContact O-N 3.05Å
808Y78.9Confident79.9Confident80 Ų8075.5 Ų75.531%0.31435%0.351SS..G310 helixtrans-98.38.6-179.4-56.3-67.4000115L786 H805 H806 R810 K811 V812L786-Y808 HydrophobicContact CD1-CD2 4.46Å; H805-Y808 HydrophobicContact CB-CD2 3.68Å; H805-Y808 HydrophobicContact CB-CE2 3.89Å; H805-Y808 WeakPolarHBondContact O-CD2 3.34Å; H805-Y808 PolarHBondContact O-N 2.93Å; H806-Y808 PolarHBondContact O-N 3.39Å; Y808-R810 PolarHBondContact O-N 3Å; Y808-K811 HydrophobicContact CD1-CB 4.47Å; Y808-K811 HydrophobicContact CD1-CD 3.69Å; Y808-K811 HydrophobicContact CE1-CD 4.31Å; Y808-K811 CarbonylContact O-C 3.02Å; Y808-K811 WeakPolarHBondContact O-CA 3.27Å; Y808-K811 VanDerWaalsContact O-CB 3.24Å; Y808-K811 WeakPolarHBondContact O-CB 3.43Å; Y808-K811 PolarHBondContact O-N 3.25Å; Y808-V812 PolarHBondContact O-N 3.4Å; Y808-V812 VanDerWaalsContact O-N 3.16Å
809T76.2Confident80Confident56 Ų5678.7 Ų78.734%0.34436%0.363SS..Hα-helixtrans-57.2-47.1-176.8-500000112.9H806 K811 V812 Y813H806-T809 PolarHBondContact O-N 3.05Å; H806-T809 PolarHBondContact O-OG1 3.34Å; T809-K811 VanDerWaalsContact C-N 3.26Å; T809-K811 PolarHBondContact O-N 3.07Å; T809-V812 PolarHBondContact O-N 2.89Å; T809-Y813 HydrophobicContact CG2-CD2 3.73Å; T809-Y813 HydrophobicContact CG2-CE2 4Å; T809-Y813 PolarHBondContact O-N 2.78Å
810R79.5Confident79.8Confident174 Ų17476.5 Ų76.566%0.65735%0.354SS*.Hα-helixtrans-64.1-34.1173.9-171.7-179.6-179-170.30.5111.6Y808 V812 L814Y808-R810 PolarHBondContact O-N 3Å; R810-V812 PolarHBondContact O-N 3.19Å; R810-L814 VanDerWaalsContact O-CB 3.23Å; R810-L814 WeakPolarHBondContact O-CB 3.19Å; R810-L814 PolarHBondContact O-N 2.93Å
811K79.4Confident79.3Confident82 Ų8272.7 Ų72.736%0.35734%0.336SS..Hα-helixtrans-68.3-18-178.3-147176.5-177.5-176.50112.2E783 Y808 T809 P815E783-K811 IonicContact OE1-NZ 2.78Å; E783-K811 PolarHBondContact OE1-NZ 3.03Å; Y808-K811 HydrophobicContact CD1-CB 4.47Å; Y808-K811 HydrophobicContact CD1-CD 3.69Å; Y808-K811 HydrophobicContact CE1-CD 4.31Å; Y808-K811 CarbonylContact O-C 3.02Å; Y808-K811 WeakPolarHBondContact O-CA 3.27Å; Y808-K811 VanDerWaalsContact O-CB 3.24Å; Y808-K811 WeakPolarHBondContact O-CB 3.43Å; Y808-K811 PolarHBondContact O-N 3.25Å; T809-K811 VanDerWaalsContact C-N 3.26Å; T809-K811 PolarHBondContact O-N 3.07Å; K811-P815 WeakPolarHBondContact O-CD 3.42Å; K811-P815 WeakPolarHBondContact O-CG 3.23Å
812V83.7Confident79.1Confident1 Ų177.3 Ų77.31%0.00636%0.357CS..Hα-helixtrans-109.7-42178.4179.70000113.7I790 W795 A798 F799 V802 Y808 T809 R810 L814 P815 Y816I790-V812 HydrophobicContact CD1-CG2 4.21Å; W795-V812 HydrophobicContact CE3-CG1 4.2Å; W795-V812 HydrophobicContact CZ3-CG1 4.38Å; A798-V812 HydrophobicContact CB-CG1 4.31Å; F799-V812 HydrophobicContact CD1-CG1 3.68Å; F799-V812 HydrophobicContact CE1-CG1 3.47Å; F799-V812 VanDerWaalsContact CE1-CG1 3.47Å; F799-V812 HydrophobicContact CZ-CG1 4.38Å; V802-V812 HydrophobicContact CG2-CB 3.88Å; V802-V812 HydrophobicContact CG2-CG1 4.48Å; V802-V812 HydrophobicContact CG2-CG2 3.25Å; Y808-V812 PolarHBondContact O-N 3.4Å; Y808-V812 VanDerWaalsContact O-N 3.16Å; T809-V812 PolarHBondContact O-N 2.89Å; R810-V812 PolarHBondContact O-N 3.19Å; V812-L814 VanDerWaalsContact C-N 3.28Å; V812-L814 PolarHBondContact O-N 2.86Å; V812-P815 VanDerWaalsContact O-CD 3.23Å; V812-P815 WeakPolarHBondContact O-CD 3.36Å; V812-P815 WeakPolarHBondContact O-CG 3.26Å; V812-Y816 WeakPolarHBondContact O-CB 3.4Å; V812-Y816 PolarHBondContact O-N 2.85Å
813Y83.8Confident78.8Confident96 Ų9680.6 Ų80.638%0.37637%0.374SS..Hα-helixtrans-67.5-28.2179.2-86.5-74.1000113.8F799 T809 Y816 A817F799-Y813 HydrophobicContact CE1-CE1 4.35Å; T809-Y813 HydrophobicContact CG2-CD2 3.73Å; T809-Y813 HydrophobicContact CG2-CE2 4Å; T809-Y813 PolarHBondContact O-N 2.78Å; Y813-Y816 HydrophobicContact CD1-CD1 4.23Å; Y813-Y816 PolarHBondContact O-N 2.7Å; Y813-A817 WeakPolarHBondContact O-CB 3.47Å; Y813-A817 PolarHBondContact O-N 2.96Å
814L82.4Confident78.3Confident48 Ų4879.9 Ų79.925%0.25138%0.375SS..Hα-helixtrans-67.5-53.1175.9-166.7141000111.5R810 V812 Y816 A817 N818 L838R810-L814 VanDerWaalsContact O-CB 3.23Å; R810-L814 WeakPolarHBondContact O-CB 3.19Å; R810-L814 PolarHBondContact O-N 2.93Å; V812-L814 VanDerWaalsContact C-N 3.28Å; V812-L814 PolarHBondContact O-N 2.86Å; L814-Y816 VanDerWaalsContact C-N 3.25Å; L814-Y816 PolarHBondContact O-N 2.64Å; L814-A817 PolarHBondContact O-N 3.46Å; L814-N818 VanDerWaalsContact O-CG 3.29Å; L814-N818 PolarHBondContact O-N 2.89Å; L814-N818 PolarHBondContact O-ND2 3.38Å; L814-L838 HydrophobicContact CD1-CD1 3.52Å
815P83Confident78.1Confident29 Ų2977.2 Ų77.219%0.18836%0.363CS..Hα-helixtrans-66.5-25173.323.5-31.2000113.2I790 W795 K811 V812 W819I790-P815 HydrophobicContact CG2-CB 3.89Å; I790-P815 HydrophobicContact CG2-CG 3.93Å; W795-P815 HydrophobicContact CH2-CB 3.97Å; W795-P815 WeakPolarHBondContact CH2-O 3.28Å; W795-P815 HydrophobicContact CZ3-CB 4.28Å; W795-P815 HydrophobicContact CZ3-CG 4.32Å; K811-P815 WeakPolarHBondContact O-CD 3.42Å; K811-P815 WeakPolarHBondContact O-CG 3.23Å; V812-P815 VanDerWaalsContact O-CD 3.23Å; V812-P815 WeakPolarHBondContact O-CD 3.36Å; V812-P815 WeakPolarHBondContact O-CG 3.26Å; P815-W819 VanDerWaalsContact O-CB 3.3Å; P815-W819 WeakPolarHBondContact O-CB 3.36Å; P815-W819 PolarHBondContact O-N 3.34Å
816Y86.3Confident77.9Confident61 Ų6174.6 Ų74.624%0.23935%0.35CS..Hα-helixtrans-70.6-42.7172.6179.2-112.7000113.3W795 F799 V812 Y813 L814 N818 W819 L820W795-Y816 AromaticContact CD2-CD2 3.86Å; W795-Y816 HydrophobicContact CD2-CD2 3.86Å; W795-Y816 HydrophobicContact CE3-CD2 4.28Å; W795-Y816 HydrophobicContact CG-CD2 4.04Å; W795-Y816 HydrophobicContact CG-CE2 4.44Å; F799-Y816 HydrophobicContact CZ-CD1 4.31Å; F799-Y816 HydrophobicContact CZ-CD2 4.17Å; F799-Y816 HydrophobicContact CZ-CG 4.04Å; V812-Y816 WeakPolarHBondContact O-CB 3.4Å; V812-Y816 PolarHBondContact O-N 2.85Å; Y813-Y816 HydrophobicContact CD1-CD1 4.23Å; Y813-Y816 PolarHBondContact O-N 2.7Å; L814-Y816 VanDerWaalsContact C-N 3.25Å; L814-Y816 PolarHBondContact O-N 2.64Å; Y816-N818 VanDerWaalsContact C-N 3.28Å; Y816-N818 PolarHBondContact O-N 3.03Å; Y816-W819 HydrophobicContact CD2-CE3 4.08Å; Y816-W819 AromaticContact CE2-CE3 3.85Å; Y816-W819 HydrophobicContact CE2-CE3 3.85Å; Y816-W819 HydrophobicContact CE2-CZ3 4.06Å; Y816-W819 WeakPolarHBondContact O-CB 3.23Å; Y816-W819 PolarHBondContact O-N 2.96Å; Y816-W819 VanDerWaalsContact O-N 3.15Å; Y816-L820 HydrophobicContact CD1-CD1 4.07Å; Y816-L820 HydrophobicContact CE1-CD1 3.47Å; Y816-L820 VanDerWaalsContact CE1-CD1 3.47Å; Y816-L820 HydrophobicContact CE1-CG 4.13Å; Y816-L820 HydrophobicContact CE2-CD1 4.4Å; Y816-L820 HydrophobicContact CE2-CD2 4.49Å; Y816-L820 HydrophobicContact CE2-CG 4.18Å; Y816-L820 PolarHBondContact O-N 3.44Å
817A79.1Confident77.6Confident0 Ų074.4 Ų74.40%035%0.35CS..Hα-helixtrans-61.5-41.5173.600000110.6Y813 L814 L820 A821 A832 F833Y813-A817 WeakPolarHBondContact O-CB 3.47Å; Y813-A817 PolarHBondContact O-N 2.96Å; L814-A817 PolarHBondContact O-N 3.46Å; A817-L820 PolarHBondContact O-N 2.57Å; A817-A821 PolarHBondContact O-N 2.89Å; A817-A832 HydrophobicContact CB-CB 3.7Å; A817-F833 HydrophobicContact CB-CD1 3.81Å; A817-F833 HydrophobicContact CB-CD2 4.07Å; A817-F833 HydrophobicContact CB-CE1 3.71Å; A817-F833 HydrophobicContact CB-CE2 3.95Å; A817-F833 HydrophobicContact CB-CG 3.98Å; A817-F833 HydrophobicContact CB-CZ 3.78Å
818N80.2Confident77.4Confident66 Ų6672 Ų7235%0.35333%0.333SS..Hα-helixtrans-60-44.3171.3-67.7-18.1000111.5L814 Y816 L820 A821 E822 F833L814-N818 VanDerWaalsContact O-CG 3.29Å; L814-N818 PolarHBondContact O-N 2.89Å; L814-N818 PolarHBondContact O-ND2 3.38Å; Y816-N818 VanDerWaalsContact C-N 3.28Å; Y816-N818 PolarHBondContact O-N 3.03Å; N818-L820 PolarHBondContact O-N 3.01Å; N818-A821 CarbonylContact O-C 3.59Å; N818-A821 WeakPolarHBondContact O-CA 3.36Å; N818-A821 WeakPolarHBondContact O-CB 3.37Å; N818-A821 PolarHBondContact O-N 3.19Å; N818-E822 WeakPolarHBondContact O-CG 3.23Å; N818-E822 PolarHBondContact O-N 2.84Å; N818-F833 WeakPolarHBondContact OD1-CE1 3.48Å; N818-F833 WeakPolarHBondContact OD1-CZ 3.4Å
819W84.5Confident77.2Confident66 Ų6668.1 Ų68.125%0.2532%0.318CS..Hα-helixtrans-65.8-37.6178.8-179.882000113.3H793 W795 P815 Y816 A821 E822 N823H793-W819 AromaticContact CD2-CD1 3.72Å; H793-W819 AromaticContact CD2-NE1 3.61Å; H793-W819 AromaticContact CE1-CD1 3.41Å; H793-W819 VanDerWaalsContact CE1-CD1 3.41Å; H793-W819 AromaticContact CG-CD1 3.54Å; H793-W819 AromaticContact CG-NE1 3.49Å; H793-W819 AromaticContact ND1-CD1 3.36Å; H793-W819 AromaticContact ND1-NE1 3.82Å; H793-W819 AromaticContact NE2-CD1 3.61Å; H793-W819 AromaticContact NE2-NE1 3.97Å; W795-W819 AromaticContact CE2-CD2 3.98Å; W795-W819 AromaticContact CE2-CG 3.82Å; W795-W819 HydrophobicContact CH2-CB 4.2Å; W795-W819 HydrophobicContact CZ2-CB 3.41Å; W795-W819 VanDerWaalsContact CZ2-CB 3.41Å; W795-W819 AromaticContact CZ2-CD1 3.87Å; W795-W819 HydrophobicContact CZ2-CD2 4.15Å; W795-W819 AromaticContact CZ2-CG 3.5Å; W795-W819 HydrophobicContact CZ2-CG 3.5Å; W795-W819 VanDerWaalsContact CZ2-CG 3.5Å; W795-W819 AromaticContact NE1-CD1 3.96Å; W795-W819 AromaticContact NE1-CD2 3.3Å; W795-W819 VanDerWaalsContact NE1-CD2 3.3Å; W795-W819 AromaticContact NE1-CE2 3.51Å; W795-W819 AromaticContact NE1-CE3 3.68Å; W795-W819 AromaticContact NE1-CG 3.6Å; W795-W819 AromaticContact NE1-NE1 3.85Å; P815-W819 VanDerWaalsContact O-CB 3.3Å; P815-W819 WeakPolarHBondContact O-CB 3.36Å; P815-W819 PolarHBondContact O-N 3.34Å; Y816-W819 HydrophobicContact CD2-CE3 4.08Å; Y816-W819 AromaticContact CE2-CE3 3.85Å; Y816-W819 HydrophobicContact CE2-CE3 3.85Å; Y816-W819 HydrophobicContact CE2-CZ3 4.06Å; Y816-W819 WeakPolarHBondContact O-CB 3.23Å; Y816-W819 PolarHBondContact O-N 2.96Å; Y816-W819 VanDerWaalsContact O-N 3.15Å; W819-A821 VanDerWaalsContact C-N 3.3Å; W819-E822 PolarHBondContact O-N 3.34Å; W819-N823 VanDerWaalsContact CD2-ND2 3.25Å; W819-N823 VanDerWaalsContact CZ2-ND2 3.34Å; W819-N823 WeakPolarHBondContact CZ2-ND2 3.37Å; W819-N823 PolarHBondContact NE1-ND2 3.21Å; W819-N823 VanDerWaalsContact NE1-ND2 3.16Å; W819-N823 PolarHBondContact O-N 2.97Å; W819-N823 PolarHBondContact O-ND2 2.89Å
820L78.5Confident77Confident9 Ų967.1 Ų67.15%0.04731%0.31CS..Hα-helixtrans-64.8-38.5172.6-77.1173.2000111.5Y816 A817 N818 E822 N823 K825 E828 A829 A832Y816-L820 HydrophobicContact CD1-CD1 4.07Å; Y816-L820 HydrophobicContact CE1-CD1 3.47Å; Y816-L820 VanDerWaalsContact CE1-CD1 3.47Å; Y816-L820 HydrophobicContact CE1-CG 4.13Å; Y816-L820 HydrophobicContact CE2-CD1 4.4Å; Y816-L820 HydrophobicContact CE2-CD2 4.49Å; Y816-L820 HydrophobicContact CE2-CG 4.18Å; Y816-L820 PolarHBondContact O-N 3.44Å; A817-L820 PolarHBondContact O-N 2.57Å; N818-L820 PolarHBondContact O-N 3.01Å; L820-E822 VanDerWaalsContact C-N 3.33Å; L820-N823 PolarHBondContact O-N 3.19Å; L820-K825 HydrophobicContact CD2-CB 4.44Å; L820-K825 HydrophobicContact CD2-CD 4.44Å; L820-K825 PolarHBondContact O-N 3.42Å; L820-K825 VanDerWaalsContact O-N 3.09Å; L820-E828 HydrophobicContact CD1-CB 4.43Å; L820-A829 HydrophobicContact CB-CB 3.77Å; L820-A832 HydrophobicContact CD1-CB 4.15Å
821A70.3Confident76.8Confident17 Ų1762.5 Ų62.514%0.1430%0.301CS..Hα-helixtrans-64.6-38.8172.300000111.2A817 N818 W819 N823 D824 F826 A829 F833A817-A821 PolarHBondContact O-N 2.89Å; N818-A821 CarbonylContact O-C 3.59Å; N818-A821 WeakPolarHBondContact O-CA 3.36Å; N818-A821 WeakPolarHBondContact O-CB 3.37Å; N818-A821 PolarHBondContact O-N 3.19Å; W819-A821 VanDerWaalsContact C-N 3.3Å; A821-N823 VanDerWaalsContact C-N 3.3Å; A821-N823 PolarHBondContact O-N 3.02Å; A821-D824 PolarHBondContact O-N 2.74Å; A821-F826 HydrophobicContact CB-CD1 4.24Å; A821-F826 HydrophobicContact CB-CE1 4.26Å; A821-F826 WeakPolarHBondContact O-CE1 3.44Å; A821-F826 VanDerWaalsContact O-CZ 3.3Å; A821-F826 WeakPolarHBondContact O-CZ 3.42Å; A821-A829 HydrophobicContact CB-CB 3.9Å; A821-F833 HydrophobicContact CB-CE2 4.42Å
822E73.2Confident76.8Confident136 Ų13658.9 Ų58.964%0.63629%0.287SS*.Hα-helixtrans-67.6-25.7175.9-75.2177.6171.100113.6N818 W819 L820 D824N818-E822 WeakPolarHBondContact O-CG 3.23Å; N818-E822 PolarHBondContact O-N 2.84Å; W819-E822 PolarHBondContact O-N 3.34Å; L820-E822 VanDerWaalsContact C-N 3.33Å; E822-D824 VanDerWaalsContact C-N 3.34Å
823N74Confident76.4Confident79 Ų7959 Ų5942%0.42229%0.287SS..THydrogen-bonded Turntrans-97.526.4177.8-70.2-74.5000113.6W819 L820 A821 K825W819-N823 VanDerWaalsContact CD2-ND2 3.25Å; W819-N823 VanDerWaalsContact CZ2-ND2 3.34Å; W819-N823 WeakPolarHBondContact CZ2-ND2 3.37Å; W819-N823 PolarHBondContact NE1-ND2 3.21Å; W819-N823 VanDerWaalsContact NE1-ND2 3.16Å; W819-N823 PolarHBondContact O-N 2.97Å; W819-N823 PolarHBondContact O-ND2 2.89Å; L820-N823 PolarHBondContact O-N 3.19Å; A821-N823 VanDerWaalsContact C-N 3.3Å; A821-N823 PolarHBondContact O-N 3.02Å; N823-K825 PolarHBondContact O-N 3.07Å
824D67.8Low75.8Confident124 Ų12458.6 Ų58.666%0.66329%0.29SS*.THydrogen-bonded Turntrans59.715.2175.9-62.2-38.1000116.4A821 E822 F826A821-D824 PolarHBondContact O-N 2.74Å; E822-D824 VanDerWaalsContact C-N 3.34Å; D824-F826 VanDerWaalsContact C-N 3.31Å; D824-F826 HydrophobicContact CB-CD2 4.46Å; D824-F826 HydrophobicContact CB-CE2 3.84Å; D824-F826 HydrophobicContact CB-CZ 4.48Å; D824-F826 WeakPolarHBondContact O-CD2 3.31Å; D824-F826 PolarHBondContact O-N 2.79Å; D824-F826 WeakPolarHBondContact OD1-CE2 3.39Å; D824-F826 WeakPolarHBondContact OD1-CZ 3.31Å
825K73.1Confident75.4Confident111 Ų11164.5 Ų64.548%0.48331%0.314SS..  trans-96.161177.1-67.6-166.4179.6-171.90110.9L820 N823 E827 E828 A829L820-K825 HydrophobicContact CD2-CB 4.44Å; L820-K825 HydrophobicContact CD2-CD 4.44Å; L820-K825 PolarHBondContact O-N 3.42Å; L820-K825 VanDerWaalsContact O-N 3.09Å; N823-K825 PolarHBondContact O-N 3.07Å; K825-E827 PolarHBondContact O-N 2.95Å; K825-E828 HydrophobicContact CB-CB 4.36Å; K825-E828 VanDerWaalsContact CD-OE2 3.27Å; K825-E828 WeakPolarHBondContact CD-OE2 3.11Å; K825-E828 IonicContact NZ-OE2 3.88Å; K825-E828 PolarHBondContact O-N 2.88Å; K825-A829 WeakPolarHBondContact O-CB 3.4Å; K825-A829 PolarHBondContact O-N 3.46Å
826F69.1Low74.9Confident48 Ų4864.3 Ų64.321%0.21132%0.315CS..Hα-helixtrans-70.6-31.6-166.7-62.7-77.1000115A821 D824 E828 A829 Q830 V845 L849A821-F826 HydrophobicContact CB-CD1 4.24Å; A821-F826 HydrophobicContact CB-CE1 4.26Å; A821-F826 WeakPolarHBondContact O-CE1 3.44Å; A821-F826 VanDerWaalsContact O-CZ 3.3Å; A821-F826 WeakPolarHBondContact O-CZ 3.42Å; D824-F826 VanDerWaalsContact C-N 3.31Å; D824-F826 HydrophobicContact CB-CD2 4.46Å; D824-F826 HydrophobicContact CB-CE2 3.84Å; D824-F826 HydrophobicContact CB-CZ 4.48Å; D824-F826 WeakPolarHBondContact O-CD2 3.31Å; D824-F826 PolarHBondContact O-N 2.79Å; D824-F826 WeakPolarHBondContact OD1-CE2 3.39Å; D824-F826 WeakPolarHBondContact OD1-CZ 3.31Å; F826-E828 VanDerWaalsContact C-N 3.35Å; F826-A829 PolarHBondContact O-N 2.83Å; F826-Q830 WeakPolarHBondContact O-CB 3.46Å; F826-Q830 PolarHBondContact O-N 3.49Å; F826-V845 HydrophobicContact CD1-CG1 4.03Å; F826-L849 HydrophobicContact CB-CD1 3.21Å; F826-L849 HydrophobicContact CB-CG 4.07Å; F826-L849 HydrophobicContact CD1-CD1 3.93Å; F826-L849 HydrophobicContact CD1-CG 3.87Å; F826-L849 HydrophobicContact CD2-CD1 3.72Å; F826-L849 HydrophobicContact CD2-CD2 3.56Å; F826-L849 HydrophobicContact CD2-CG 3.72Å; F826-L849 HydrophobicContact CE1-CG 4.21Å; F826-L849 HydrophobicContact CE2-CD2 3.66Å; F826-L849 HydrophobicContact CE2-CG 4.05Å; F826-L849 HydrophobicContact CG-CD1 3.35Å; F826-L849 HydrophobicContact CG-CD2 4.02Å; F826-L849 HydrophobicContact CG-CG 3.61Å; F826-L849 HydrophobicContact CZ-CD2 4.24Å; F826-L849 HydrophobicContact CZ-CG 4.3Å
827E68.5Low74.2Confident129 Ų12964.4 Ų64.460%0.60333%0.334SS*.Hα-helixtrans-64.7-42.9174.1-71.3-164.1143.200110.6K825 Q830 T831 K868K825-E827 PolarHBondContact O-N 2.95Å; E827-Q830 PolarHBondContact O-N 3.12Å; E827-T831 WeakPolarHBondContact O-CG2 2.88Å; E827-T831 PolarHBondContact O-N 2.97Å; E827-K868 IonicContact OE1-NZ 3.58Å; E827-K868 PolarHBondContact OE1-NZ 3.19Å
828E75Confident73.9Confident99 Ų9966.1 Ų66.146%0.46334%0.343SS..Hα-helixtrans-65.6-42.8174.5-65.7177.2-172.700111.2L820 K825 F826 Q830 T831 A832L820-E828 HydrophobicContact CD1-CB 4.43Å; K825-E828 HydrophobicContact CB-CB 4.36Å; K825-E828 VanDerWaalsContact CD-OE2 3.27Å; K825-E828 WeakPolarHBondContact CD-OE2 3.11Å; K825-E828 IonicContact NZ-OE2 3.88Å; K825-E828 PolarHBondContact O-N 2.88Å; F826-E828 VanDerWaalsContact C-N 3.35Å; E828-Q830 VanDerWaalsContact C-N 3.33Å; E828-Q830 PolarHBondContact O-N 3.49Å; E828-T831 PolarHBondContact O-N 3Å; E828-T831 PolarHBondContact O-OG1 2.82Å; E828-A832 PolarHBondContact O-N 3.49Å
829A74.2Confident73.4Confident0 Ų068.9 Ų68.90%035%0.354CS..Hα-helixtrans-59.1-43.2175.300000111.7L820 A821 K825 F826 T831 A832 F833L820-A829 HydrophobicContact CB-CB 3.77Å; A821-A829 HydrophobicContact CB-CB 3.9Å; K825-A829 WeakPolarHBondContact O-CB 3.4Å; K825-A829 PolarHBondContact O-N 3.46Å; F826-A829 PolarHBondContact O-N 2.83Å; A829-T831 VanDerWaalsContact C-N 3.3Å; A829-T831 PolarHBondContact O-N 3.02Å; A829-A832 CarbonylContact O-C 3.51Å; A829-A832 WeakPolarHBondContact O-CA 3.42Å; A829-A832 WeakPolarHBondContact O-CB 3.35Å; A829-A832 PolarHBondContact O-N 3.47Å; A829-F833 HydrophobicContact CB-CE2 4.33Å; A829-F833 WeakPolarHBondContact O-CD2 3.47Å; A829-F833 PolarHBondContact O-N 3.27Å
830Q72.3Confident72.9Confident34 Ų3471.9 Ų71.916%0.15938%0.375CS..Hα-helixtrans-59.1-44.1177.4-162-17128.900110.7F826 E827 E828 A832 F833 I834 A842F826-Q830 WeakPolarHBondContact O-CB 3.46Å; F826-Q830 PolarHBondContact O-N 3.49Å; E827-Q830 PolarHBondContact O-N 3.12Å; E828-Q830 VanDerWaalsContact C-N 3.33Å; E828-Q830 PolarHBondContact O-N 3.49Å; Q830-A832 VanDerWaalsContact C-N 3.31Å; Q830-A832 PolarHBondContact O-N 3.1Å; Q830-F833 PolarHBondContact O-N 3.42Å; Q830-I834 VanDerWaalsContact O-CG1 3.31Å; Q830-I834 WeakPolarHBondContact O-CG1 3.33Å; Q830-I834 PolarHBondContact O-N 3.27Å; Q830-I834 VanDerWaalsContact O-N 3.13Å; Q830-A842 HydrophobicContact CG-CB 3.69Å
831T75.5Confident72.5Confident77 Ų7774.8 Ų74.847%0.47239%0.388SS..Hα-helixtrans-65.3-34.4174.668.50000112.6E827 E828 A829 I834 K835E827-T831 WeakPolarHBondContact O-CG2 2.88Å; E827-T831 PolarHBondContact O-N 2.97Å; E828-T831 PolarHBondContact O-N 3Å; E828-T831 PolarHBondContact O-OG1 2.82Å; A829-T831 VanDerWaalsContact C-N 3.3Å; A829-T831 PolarHBondContact O-N 3.02Å; T831-I834 PolarHBondContact O-N 3.06Å; T831-K835 WeakPolarHBondContact O-CG 3.18Å; T831-K835 PolarHBondContact O-N 2.81Å
832A77.7Confident72.5Confident7 Ų774.2 Ų74.26%0.05838%0.383CS..Hα-helixtrans-68.3-39.3176.100000112.5A817 L820 E828 A829 Q830 I834 K835 A836A817-A832 HydrophobicContact CB-CB 3.7Å; L820-A832 HydrophobicContact CD1-CB 4.15Å; E828-A832 PolarHBondContact O-N 3.49Å; A829-A832 CarbonylContact O-C 3.51Å; A829-A832 WeakPolarHBondContact O-CA 3.42Å; A829-A832 WeakPolarHBondContact O-CB 3.35Å; A829-A832 PolarHBondContact O-N 3.47Å; Q830-A832 VanDerWaalsContact C-N 3.31Å; Q830-A832 PolarHBondContact O-N 3.1Å; A832-I834 VanDerWaalsContact C-N 3.33Å; A832-I834 PolarHBondContact O-N 3.09Å; A832-K835 CarbonylContact O-C 3.57Å; A832-K835 WeakPolarHBondContact O-CB 3.27Å; A832-K835 PolarHBondContact O-N 3.31Å; A832-K835 VanDerWaalsContact O-N 3.16Å; A832-A836 PolarHBondContact O-N 3.46Å
833F75.6Confident72.7Confident4 Ų468.5 Ų68.52%0.01836%0.357CS..Hα-helixtrans-63.7-38.8172.9-76.6-66.8000112.3A817 N818 A821 A829 Q830 K835 A836 G837 L838 E841 A842 V845A817-F833 HydrophobicContact CB-CD1 3.81Å; A817-F833 HydrophobicContact CB-CD2 4.07Å; A817-F833 HydrophobicContact CB-CE1 3.71Å; A817-F833 HydrophobicContact CB-CE2 3.95Å; A817-F833 HydrophobicContact CB-CG 3.98Å; A817-F833 HydrophobicContact CB-CZ 3.78Å; N818-F833 WeakPolarHBondContact OD1-CE1 3.48Å; N818-F833 WeakPolarHBondContact OD1-CZ 3.4Å; A821-F833 HydrophobicContact CB-CE2 4.42Å; A829-F833 HydrophobicContact CB-CE2 4.33Å; A829-F833 WeakPolarHBondContact O-CD2 3.47Å; A829-F833 PolarHBondContact O-N 3.27Å; Q830-F833 PolarHBondContact O-N 3.42Å; F833-K835 VanDerWaalsContact C-N 3.31Å; F833-K835 PolarHBondContact O-N 3.28Å; F833-A836 CarbonylContact O-C 3.52Å; F833-A836 PolarHBondContact O-N 3.15Å; F833-G837 PolarHBondContact O-N 3.22Å; F833-G837 VanDerWaalsContact O-N 3.15Å; F833-L838 PolarHBondContact O-N 2.87Å; F833-E841 HydrophobicContact CD1-CB 4.02Å; F833-E841 WeakPolarHBondContact CD1-OE2 3.36Å; F833-E841 HydrophobicContact CE1-CB 4.4Å; F833-E841 HydrophobicContact CG-CB 4.43Å; F833-A842 HydrophobicContact CB-CB 4.37Å; F833-V845 HydrophobicContact CD2-CG2 4.13Å; F833-V845 HydrophobicContact CE2-CG2 3.65Å; F833-V845 HydrophobicContact CZ-CG2 4.16Å
834I72.6Confident73Confident86 Ų8667.6 Ų67.644%0.44136%0.357SS..Hα-helixtrans-62.5-41.5173.4-65.4166000110.2Q830 T831 A832 A836 G837 A842Q830-I834 VanDerWaalsContact O-CG1 3.31Å; Q830-I834 WeakPolarHBondContact O-CG1 3.33Å; Q830-I834 PolarHBondContact O-N 3.27Å; Q830-I834 VanDerWaalsContact O-N 3.13Å; T831-I834 PolarHBondContact O-N 3.06Å; A832-I834 VanDerWaalsContact C-N 3.33Å; A832-I834 PolarHBondContact O-N 3.09Å; I834-A836 VanDerWaalsContact C-N 3.32Å; I834-A836 PolarHBondContact O-N 3.31Å; I834-G837 PolarHBondContact O-N 3.07Å; I834-A842 HydrophobicContact CG1-CB 4.38Å
835K73.9Confident73.5Confident173 Ų17362.4 Ų62.475%0.75233%0.33SS*.Hα-helixtrans-66.1-30.2174.8-73.6178.2-179.9176.20113.6T831 A832 F833 G837T831-K835 WeakPolarHBondContact O-CG 3.18Å; T831-K835 PolarHBondContact O-N 2.81Å; A832-K835 CarbonylContact O-C 3.57Å; A832-K835 WeakPolarHBondContact O-CB 3.27Å; A832-K835 PolarHBondContact O-N 3.31Å; A832-K835 VanDerWaalsContact O-N 3.16Å; F833-K835 VanDerWaalsContact C-N 3.31Å; F833-K835 PolarHBondContact O-N 3.28Å; K835-G837 PolarHBondContact O-N 3.16Å
836A70.9Confident74Confident24 Ų2457.4 Ų57.420%0.19831%0.308CS..THydrogen-bonded Turntrans-76.1-7.1171.700000113.3A832 F833 I834 L838A832-A836 PolarHBondContact O-N 3.46Å; F833-A836 CarbonylContact O-C 3.52Å; F833-A836 PolarHBondContact O-N 3.15Å; I834-A836 VanDerWaalsContact C-N 3.32Å; I834-A836 PolarHBondContact O-N 3.31Å; A836-L838 HydrophobicContact CB-CD1 4.42Å
837G72.3Confident74.8Confident63 Ų6357.5 Ų57.565%0.64931%0.31SS*.THydrogen-bonded Turntrans86.916.9178.800000115.1F833 I834 K835F833-G837 PolarHBondContact O-N 3.22Å; F833-G837 VanDerWaalsContact O-N 3.15Å; I834-G837 PolarHBondContact O-N 3.07Å; K835-G837 PolarHBondContact O-N 3.16Å
838L72Confident75.6Confident37 Ų3757.3 Ų57.319%0.19431%0.309CS..  trans-117.678.3-169.7-68.9157.4000111.9L814 F833 A836 E841 A842L814-L838 HydrophobicContact CD1-CD1 3.52Å; F833-L838 PolarHBondContact O-N 2.87Å; A836-L838 HydrophobicContact CB-CD1 4.42Å; L838-E841 HydrophobicContact CB-CB 4.08Å; L838-E841 HydrophobicContact CB-CG 4.13Å; L838-E841 WeakPolarHBondContact CB-OE2 3.22Å; L838-E841 WeakPolarHBondContact CD1-OE2 3.49Å; L838-E841 PolarHBondContact O-N 3.14Å; L838-A842 PolarHBondContact O-N 3.29Å
839Q70.5Confident76Confident124 Ų12453.1 Ų53.158%0.57929%0.289SS*.Hα-helixtrans-69.9-31.5-179.7-70.5179.7-12.400113.9E841 A842 I843Q839-E841 VanDerWaalsContact C-N 3.3Å; Q839-E841 PolarHBondContact O-N 3.5Å; Q839-A842 WeakPolarHBondContact O-CB 3.13Å; Q839-A842 PolarHBondContact O-N 3.32Å; Q839-I843 PolarHBondContact O-N 2.78Å
840N73.1Confident76.6Confident128 Ų12853.1 Ų53.168%0.68429%0.289SS*.Hα-helixtrans-67-34.4175.9-70.2-21.4000111.8A842 I843 S844N840-A842 VanDerWaalsContact C-N 3.34Å; N840-I843 PolarHBondContact O-N 2.78Å; N840-S844 PolarHBondContact O-N 3.49Å
841E71.5Confident77.5Confident70 Ų7053.5 Ų53.533%0.32729%0.294SS..Hα-helixtrans-68.9-35.9174.8-70.5177.517900110.8F833 L838 Q839 I843 S844 V845F833-E841 HydrophobicContact CD1-CB 4.02Å; F833-E841 WeakPolarHBondContact CD1-OE2 3.36Å; F833-E841 HydrophobicContact CE1-CB 4.4Å; F833-E841 HydrophobicContact CG-CB 4.43Å; L838-E841 HydrophobicContact CB-CB 4.08Å; L838-E841 HydrophobicContact CB-CG 4.13Å; L838-E841 WeakPolarHBondContact CB-OE2 3.22Å; L838-E841 WeakPolarHBondContact CD1-OE2 3.49Å; L838-E841 PolarHBondContact O-N 3.14Å; Q839-E841 VanDerWaalsContact C-N 3.3Å; Q839-E841 PolarHBondContact O-N 3.5Å; E841-I843 VanDerWaalsContact C-N 3.3Å; E841-I843 PolarHBondContact O-N 2.83Å; E841-S844 WeakPolarHBondContact O-CB 3.39Å; E841-S844 PolarHBondContact O-N 2.87Å; E841-S844 VanDerWaalsContact O-N 3.16Å; E841-V845 WeakPolarHBondContact O-CB 3.27Å; E841-V845 VanDerWaalsContact O-CG2 3.25Å; E841-V845 WeakPolarHBondContact O-CG2 3.35Å; E841-V845 PolarHBondContact O-N 3.22Å
842A70.4Confident78.1Confident5 Ų552.7 Ų52.74%0.04129%0.291CS..Hα-helixtrans-60.7-35.8173.300000113.3Q830 F833 I834 L838 Q839 N840 L846Q830-A842 HydrophobicContact CG-CB 3.69Å; F833-A842 HydrophobicContact CB-CB 4.37Å; I834-A842 HydrophobicContact CG1-CB 4.38Å; L838-A842 PolarHBondContact O-N 3.29Å; Q839-A842 WeakPolarHBondContact O-CB 3.13Å; Q839-A842 PolarHBondContact O-N 3.32Å; N840-A842 VanDerWaalsContact C-N 3.34Å; A842-L846 PolarHBondContact O-N 2.95Å
843I77.4Confident78.6Confident16 Ų1652.4 Ų52.48%0.08229%0.288CS..Hα-helixtrans-69.5-47.2172.4-66172000110.2Q839 N840 E841 V845 L846 E847 L869 M876Q839-I843 PolarHBondContact O-N 2.78Å; N840-I843 PolarHBondContact O-N 2.78Å; E841-I843 VanDerWaalsContact C-N 3.3Å; E841-I843 PolarHBondContact O-N 2.83Å; I843-V845 VanDerWaalsContact C-N 3.27Å; I843-V845 PolarHBondContact O-N 2.89Å; I843-L846 PolarHBondContact O-N 2.89Å; I843-L846 VanDerWaalsContact O-N 3.16Å; I843-E847 PolarHBondContact O-N 2.74Å; I843-L869 HydrophobicContact CG2-CD2 3.81Å; I843-M876 HydrophobicContact CD1-CE 3.3Å; I843-M876 HydrophobicContact CD1-SD 3.89Å
844S79.9Confident79.3Confident61 Ų6152.2 Ų52.243%0.42729%0.288SS..Hα-helixtrans-57.4-40.4179.3-176.10000112.1N840 E841 E847 Q848N840-S844 PolarHBondContact O-N 3.49Å; E841-S844 WeakPolarHBondContact O-CB 3.39Å; E841-S844 PolarHBondContact O-N 2.87Å; E841-S844 VanDerWaalsContact O-N 3.16Å; S844-E847 PolarHBondContact O-N 2.89Å; S844-Q848 WeakPolarHBondContact O-CB 3.32Å; S844-Q848 PolarHBondContact O-N 2.83Å
845V79Confident80.1Confident14 Ų1454.6 Ų54.69%0.08530%0.295CS..Hα-helixtrans-67.7-42.3178.4171.30000110.8F826 F833 E841 I843 Q848 L849F826-V845 HydrophobicContact CD1-CG1 4.03Å; F833-V845 HydrophobicContact CD2-CG2 4.13Å; F833-V845 HydrophobicContact CE2-CG2 3.65Å; F833-V845 HydrophobicContact CZ-CG2 4.16Å; E841-V845 WeakPolarHBondContact O-CB 3.27Å; E841-V845 VanDerWaalsContact O-CG2 3.25Å; E841-V845 WeakPolarHBondContact O-CG2 3.35Å; E841-V845 PolarHBondContact O-N 3.22Å; I843-V845 VanDerWaalsContact C-N 3.27Å; I843-V845 PolarHBondContact O-N 2.89Å; V845-Q848 WeakPolarHBondContact O-CB 3.35Å; V845-Q848 PolarHBondContact O-N 2.87Å; V845-L849 WeakPolarHBondContact O-CB 3.3Å; V845-L849 PolarHBondContact O-N 2.96Å
846L81.9Confident80.8Confident6 Ų651.9 Ų51.93%0.03129%0.285CS..Hα-helixtrans-67.5-36.7176.8-136.291.9000112A842 I843 L849 A850 K868 L869 L872A842-L846 PolarHBondContact O-N 2.95Å; I843-L846 PolarHBondContact O-N 2.89Å; I843-L846 VanDerWaalsContact O-N 3.16Å; L846-L849 WeakPolarHBondContact O-CB 3.1Å; L846-L849 PolarHBondContact O-N 2.85Å; L846-A850 WeakPolarHBondContact O-CB 3.49Å; L846-A850 PolarHBondContact O-N 3.27Å; L846-K868 HydrophobicContact CD2-CB 3.91Å; L846-K868 HydrophobicContact CD2-CD 4.45Å; L846-L869 HydrophobicContact CB-CD2 4.02Å; L846-L869 HydrophobicContact CB-CG 4.23Å; L846-L869 HydrophobicContact CD2-CD2 4.4Å; L846-L869 HydrophobicContact CD2-CG 3.95Å; L846-L872 HydrophobicContact CD2-CD1 4.34Å
847E86.2Confident81.7Confident51 Ų5152.7 Ų52.724%0.23829%0.289CS..Hα-helixtrans-59.9-47.5170.8-105.5-173.7138.900110.8I843 S844 L849 A850 T851 L869 F897I843-E847 PolarHBondContact O-N 2.74Å; S844-E847 PolarHBondContact O-N 2.89Å; E847-L849 VanDerWaalsContact C-N 3.32Å; E847-L849 PolarHBondContact O-N 2.81Å; E847-A850 PolarHBondContact O-N 3.14Å; E847-T851 WeakPolarHBondContact O-CG2 3.48Å; E847-T851 PolarHBondContact O-N 2.86Å; E847-T851 PolarHBondContact O-OG1 3.09Å; E847-L869 HydrophobicContact CB-CD1 4.31Å; E847-L869 HydrophobicContact CG-CD1 3.76Å; E847-L869 HydrophobicContact CG-CD2 4.18Å; E847-F897 HydrophobicContact CG-CE1 3.8Å; E847-F897 HydrophobicContact CG-CZ 3.82Å; E847-F897 WeakPolarHBondContact OE1-CE1 3.38Å; E847-F897 WeakPolarHBondContact OE1-CZ 3.13Å
848Q85.2Confident82.6Confident124 Ų12454.7 Ų54.758%0.57928%0.277SS*.Hα-helixtrans-58.2-46.6175.9-105.5-179.8-19.500111.1S844 V845 A850 T851 C852S844-Q848 WeakPolarHBondContact O-CB 3.32Å; S844-Q848 PolarHBondContact O-N 2.83Å; V845-Q848 WeakPolarHBondContact O-CB 3.35Å; V845-Q848 PolarHBondContact O-N 2.87Å; Q848-A850 VanDerWaalsContact C-N 3.34Å; Q848-A850 PolarHBondContact O-N 2.8Å; Q848-T851 WeakPolarHBondContact CA-OG1 3.39Å; Q848-T851 CarbonylContact O-C 3.47Å; Q848-T851 PolarHBondContact O-N 2.87Å; Q848-T851 PolarHBondContact O-OG1 2.87Å; Q848-C852 WeakPolarHBondContact O-CB 3.37Å; Q848-C852 PolarHBondContact O-N 3.47Å; Q848-C852 PolarHBondContact O-SG 2.94Å; Q848-C852 VanDerWaalsContact O-SG 3.34Å
849L83.3Confident83.6Confident11 Ų1153.1 Ų53.16%0.05827%0.269CS..Hα-helixtrans-56.7-46.9176-114.5178.9000112.4F826 V845 L846 E847 T851 C852 A853 Y865F826-L849 HydrophobicContact CB-CD1 3.21Å; F826-L849 HydrophobicContact CB-CG 4.07Å; F826-L849 HydrophobicContact CD1-CD1 3.93Å; F826-L849 HydrophobicContact CD1-CG 3.87Å; F826-L849 HydrophobicContact CD2-CD1 3.72Å; F826-L849 HydrophobicContact CD2-CD2 3.56Å; F826-L849 HydrophobicContact CD2-CG 3.72Å; F826-L849 HydrophobicContact CE1-CG 4.21Å; F826-L849 HydrophobicContact CE2-CD2 3.66Å; F826-L849 HydrophobicContact CE2-CG 4.05Å; F826-L849 HydrophobicContact CG-CD1 3.35Å; F826-L849 HydrophobicContact CG-CD2 4.02Å; F826-L849 HydrophobicContact CG-CG 3.61Å; F826-L849 HydrophobicContact CZ-CD2 4.24Å; F826-L849 HydrophobicContact CZ-CG 4.3Å; V845-L849 WeakPolarHBondContact O-CB 3.3Å; V845-L849 PolarHBondContact O-N 2.96Å; L846-L849 WeakPolarHBondContact O-CB 3.1Å; L846-L849 PolarHBondContact O-N 2.85Å; E847-L849 VanDerWaalsContact C-N 3.32Å; E847-L849 PolarHBondContact O-N 2.81Å; L849-T851 VanDerWaalsContact C-N 3.32Å; L849-T851 PolarHBondContact O-N 2.78Å; L849-C852 PolarHBondContact O-N 3.05Å; L849-A853 WeakPolarHBondContact O-CB 3.46Å; L849-A853 PolarHBondContact O-N 3.14Å; L849-Y865 HydrophobicContact CB-CD2 4.47Å; L849-Y865 HydrophobicContact CD2-CE2 4.02Å
850A87.9Confident84.6Confident0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-62.3-41.6178.200000111.2L846 E847 Q848 A854 Y866 L869L846-A850 WeakPolarHBondContact O-CB 3.49Å; L846-A850 PolarHBondContact O-N 3.27Å; E847-A850 PolarHBondContact O-N 3.14Å; Q848-A850 VanDerWaalsContact C-N 3.34Å; Q848-A850 PolarHBondContact O-N 2.8Å; A850-A854 WeakPolarHBondContact O-CB 3.36Å; A850-A854 PolarHBondContact O-N 2.85Å; A850-A854 VanDerWaalsContact O-N 3.1Å; A850-Y866 HydrophobicContact CB-CD1 4.04Å; A850-Y866 HydrophobicContact CB-CD2 3.77Å; A850-Y866 HydrophobicContact CB-CE1 3.86Å; A850-Y866 HydrophobicContact CB-CE2 3.54Å; A850-Y866 HydrophobicContact CB-CG 4.01Å; A850-L869 HydrophobicContact CB-CD1 4.26Å
851T90Very high85.3Confident43 Ų4345.8 Ų45.826%0.26423%0.234SC..Hα-helixtrans-68-37.4174.461.70000113.1E847 Q848 L849 A854 K855 Y866E847-T851 WeakPolarHBondContact O-CG2 3.48Å; E847-T851 PolarHBondContact O-N 2.86Å; E847-T851 PolarHBondContact O-OG1 3.09Å; Q848-T851 WeakPolarHBondContact CA-OG1 3.39Å; Q848-T851 CarbonylContact O-C 3.47Å; Q848-T851 PolarHBondContact O-N 2.87Å; Q848-T851 PolarHBondContact O-OG1 2.87Å; L849-T851 VanDerWaalsContact C-N 3.32Å; L849-T851 PolarHBondContact O-N 2.78Å; T851-A854 PolarHBondContact O-N 3.04Å; T851-K855 WeakPolarHBondContact O-CG 3.04Å; T851-K855 PolarHBondContact O-N 2.88Å; T851-Y866 VanDerWaalsContact CG2-OH 3.24Å; T851-Y866 WeakPolarHBondContact CG2-OH 3.44Å
852C88.6Confident86.3Confident60 Ų6042.5 Ų42.541%0.40522%0.218SC..Hα-helixtrans-68.7-45.1176.7-730000111.2Q848 L849 A854 K855 E856Q848-C852 WeakPolarHBondContact O-CB 3.37Å; Q848-C852 PolarHBondContact O-N 3.47Å; Q848-C852 PolarHBondContact O-SG 2.94Å; Q848-C852 VanDerWaalsContact O-SG 3.34Å; L849-C852 PolarHBondContact O-N 3.05Å; C852-A854 VanDerWaalsContact C-N 3.25Å; C852-A854 PolarHBondContact O-N 2.78Å; C852-K855 CarbonylContact O-C 3.59Å; C852-K855 WeakPolarHBondContact O-CA 3.23Å; C852-K855 WeakPolarHBondContact O-CB 3.49Å; C852-K855 PolarHBondContact O-N 2.79Å; C852-E856 WeakPolarHBondContact O-CG 3.41Å; C852-E856 PolarHBondContact O-N 2.82Å
853A88.6Confident87.3Confident0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-57.1-41.4174.800000111.3L849 E856 S857 R858 D861 A862 Y865L849-A853 WeakPolarHBondContact O-CB 3.46Å; L849-A853 PolarHBondContact O-N 3.14Å; A853-E856 PolarHBondContact O-N 3.29Å; A853-S857 PolarHBondContact O-N 2.84Å; A853-R858 HydrophobicContact CB-CB 4.44Å; A853-R858 CarbonylContact O-C 3.57Å; A853-R858 WeakPolarHBondContact O-CA 3.43Å; A853-R858 PolarHBondContact O-N 3.12Å; A853-D861 HydrophobicContact CB-CB 4.19Å; A853-A862 HydrophobicContact CB-CB 3.94Å; A853-Y865 HydrophobicContact CB-CD2 4.18Å; A853-Y865 HydrophobicContact CB-CE2 4.21Å
854A90.2Very high88Confident1 Ų143.4 Ų43.41%0.00822%0.222CC..Hα-helixtrans-61.6-43.6173.600000112.4A850 T851 C852 S857 F859 A862 Y904 E944A850-A854 WeakPolarHBondContact O-CB 3.36Å; A850-A854 PolarHBondContact O-N 2.85Å; A850-A854 VanDerWaalsContact O-N 3.1Å; T851-A854 PolarHBondContact O-N 3.04Å; C852-A854 VanDerWaalsContact C-N 3.25Å; C852-A854 PolarHBondContact O-N 2.78Å; A854-S857 PolarHBondContact O-N 2.86Å; A854-F859 VanDerWaalsContact O-CE1 3.31Å; A854-F859 WeakPolarHBondContact O-CE1 3.42Å; A854-A862 HydrophobicContact CB-CB 4.15Å; A854-Y904 HydrophobicContact CB-CD1 4.38Å; A854-Y904 HydrophobicContact CB-CE1 3.62Å; A854-Y904 HydrophobicContact CB-CE2 4.29Å; A854-E944 HydrophobicContact CB-CB 4.32Å; A854-E944 HydrophobicContact CB-CG 4.4Å
855K89.9Confident88.4Confident136 Ų13642.8 Ų42.859%0.59121%0.21SC*.Hα-helixtrans-66-36.5177.2-74.3175.1-179175.40113.6T851 C852 S857 E944T851-K855 WeakPolarHBondContact O-CG 3.04Å; T851-K855 PolarHBondContact O-N 2.88Å; C852-K855 CarbonylContact O-C 3.59Å; C852-K855 WeakPolarHBondContact O-CA 3.23Å; C852-K855 WeakPolarHBondContact O-CB 3.49Å; C852-K855 PolarHBondContact O-N 2.79Å; K855-S857 PolarHBondContact O-N 2.79Å; K855-E944 HydrophobicContact CB-CG 4.39Å; K855-E944 HydrophobicContact CG-CG 3.77Å; K855-E944 WeakPolarHBondContact CG-OE1 2.83Å
856E88.4Confident89.1Confident116 Ų11642.3 Ų42.354%0.54221%0.207SC..THydrogen-bonded Turntrans-76.52.8175.6-70.8-177169.800113.3C852 A853 R858C852-E856 WeakPolarHBondContact O-CG 3.41Å; C852-E856 PolarHBondContact O-N 2.82Å; A853-E856 PolarHBondContact O-N 3.29Å; E856-R858 HydrophobicContact CB-CG 4.38Å; E856-R858 PolarHBondContact O-N 2.85Å; E856-R858 IonicContact OE2-CZ 3.71Å; E856-R858 VanDerWaalsContact OE2-CZ 3.22Å; E856-R858 IonicContact OE2-NE 3.48Å; E856-R858 PolarHBondContact OE2-NE 2.76Å; E856-R858 IonicContact OE2-NH2 2.74Å; E856-R858 PolarHBondContact OE2-NH2 2.78Å
857S90.1Very high89.6Confident41 Ų4143.2 Ų43.229%0.28721%0.21SC..THydrogen-bonded Turntrans6517.6-176.3-38.90000114.3A853 A854 K855 F859 Y911A853-S857 PolarHBondContact O-N 2.84Å; A854-S857 PolarHBondContact O-N 2.86Å; K855-S857 PolarHBondContact O-N 2.79Å; S857-F859 VanDerWaalsContact C-N 3.27Å; S857-F859 WeakPolarHBondContact O-CD2 3.2Å; S857-F859 PolarHBondContact O-N 2.97Å; S857-F859 VanDerWaalsContact O-N 3.15Å; S857-Y911 WeakPolarHBondContact CB-OH 3.44Å
858R91.1Very high89.6Confident105 Ų10543.7 Ų43.740%0.39621%0.211SC..  trans-86.767.5171.5-65.1-168.5-70.3145-13109.7A853 E856 D860 D861 A862A853-R858 HydrophobicContact CB-CB 4.44Å; A853-R858 CarbonylContact O-C 3.57Å; A853-R858 WeakPolarHBondContact O-CA 3.43Å; A853-R858 PolarHBondContact O-N 3.12Å; E856-R858 HydrophobicContact CB-CG 4.38Å; E856-R858 PolarHBondContact O-N 2.85Å; E856-R858 IonicContact OE2-CZ 3.71Å; E856-R858 VanDerWaalsContact OE2-CZ 3.22Å; E856-R858 IonicContact OE2-NE 3.48Å; E856-R858 PolarHBondContact OE2-NE 2.76Å; E856-R858 IonicContact OE2-NH2 2.74Å; E856-R858 PolarHBondContact OE2-NH2 2.78Å; R858-D860 VanDerWaalsContact C-N 3.31Å; R858-D860 PolarHBondContact O-N 2.87Å; R858-D861 HydrophobicContact CB-CB 4.28Å; R858-D861 IonicContact CZ-OD2 3.76Å; R858-D861 IonicContact NE-OD2 3.47Å; R858-D861 IonicContact NH1-OD2 3.67Å; R858-D861 PolarHBondContact NH1-OD2 3.49Å; R858-D861 PolarHBondContact O-N 3.5Å; R858-A862 PolarHBondContact O-N 2.86Å
859F93.1Very high89.8Confident4 Ų437.8 Ų37.82%0.01818%0.184CC..Hα-helixtrans-68.7-27.4-170.6-60.5-61.9000114.1A854 S857 A862 G863 Y904 Y907 N908 Y911 E944A854-F859 VanDerWaalsContact O-CE1 3.31Å; A854-F859 WeakPolarHBondContact O-CE1 3.42Å; S857-F859 VanDerWaalsContact C-N 3.27Å; S857-F859 WeakPolarHBondContact O-CD2 3.2Å; S857-F859 PolarHBondContact O-N 2.97Å; S857-F859 VanDerWaalsContact O-N 3.15Å; F859-A862 PolarHBondContact O-N 3.48Å; F859-G863 PolarHBondContact O-N 3.46Å; F859-Y904 AromaticContact CD1-CD1 3.61Å; F859-Y904 HydrophobicContact CD1-CD1 3.61Å; F859-Y904 HydrophobicContact CD1-CE1 4.05Å; F859-Y904 HydrophobicContact CE1-CD1 4.26Å; F859-Y904 HydrophobicContact CE1-CE1 4.27Å; F859-Y907 AromaticContact CD1-CD1 3.91Å; F859-Y907 HydrophobicContact CD1-CD1 3.91Å; F859-Y907 HydrophobicContact CD1-CE1 4.29Å; F859-Y907 AromaticContact CD2-CD1 3.88Å; F859-Y907 HydrophobicContact CD2-CD1 3.88Å; F859-Y907 HydrophobicContact CD2-CE1 4.03Å; F859-Y907 AromaticContact CE1-CD1 3.91Å; F859-Y907 HydrophobicContact CE1-CD1 3.91Å; F859-Y907 AromaticContact CE1-CE1 3.83Å; F859-Y907 HydrophobicContact CE1-CE1 3.83Å; F859-Y907 AromaticContact CE2-CD1 3.89Å; F859-Y907 HydrophobicContact CE2-CD1 3.89Å; F859-Y907 AromaticContact CE2-CE1 3.56Å; F859-Y907 HydrophobicContact CE2-CE1 3.56Å; F859-Y907 AromaticContact CG-CD1 3.89Å; F859-Y907 HydrophobicContact CG-CD1 3.89Å; F859-Y907 HydrophobicContact CG-CE1 4.38Å; F859-Y907 AromaticContact CZ-CD1 3.92Å; F859-Y907 HydrophobicContact CZ-CD1 3.92Å; F859-Y907 AromaticContact CZ-CE1 3.45Å; F859-Y907 HydrophobicContact CZ-CE1 3.45Å; F859-Y907 VanDerWaalsContact CZ-CE1 3.45Å; F859-N908 HydrophobicContact CB-CB 3.8Å; F859-Y911 HydrophobicContact CD2-CD1 4.09Å; F859-Y911 HydrophobicContact CD2-CD2 4.35Å; F859-Y911 AromaticContact CD2-CG 3.85Å; F859-Y911 HydrophobicContact CD2-CG 3.85Å; F859-Y911 HydrophobicContact CE2-CD1 4.03Å; F859-Y911 AromaticContact CE2-CD2 3.6Å; F859-Y911 HydrophobicContact CE2-CD2 3.6Å; F859-Y911 HydrophobicContact CE2-CE1 4.45Å; F859-Y911 HydrophobicContact CE2-CE2 4.04Å; F859-Y911 AromaticContact CE2-CG 3.57Å; F859-Y911 HydrophobicContact CE2-CG 3.57Å; F859-E944 HydrophobicContact CE1-CB 4.35Å
860D90.3Very high90Very high49 Ų4937.3 Ų37.326%0.26218%0.181SC..Hα-helixtrans-63.6-52.1174.5-150.650.1000111.2R858 A862 G863 F864 N908 H1190R858-D860 VanDerWaalsContact C-N 3.31Å; R858-D860 PolarHBondContact O-N 2.87Å; D860-A862 VanDerWaalsContact C-N 3.31Å; D860-A862 PolarHBondContact O-N 3.25Å; D860-G863 PolarHBondContact O-N 2.86Å; D860-F864 PolarHBondContact O-N 2.79Å; D860-N908 WeakPolarHBondContact CB-ND2 3.36Å; D860-N908 PolarHBondContact OD1-ND2 2.81Å; D860-H1190 IonicContact OD2-CE1 3.09Å; D860-H1190 IonicContact OD2-NE2 2.98Å
861D89.1Confident89.9Confident49 Ų4939.5 Ų39.526%0.26219%0.194SC..Hα-helixtrans-58.3-44174.9-66.1-16.3000111A853 R858 G863 F864 Y865A853-D861 HydrophobicContact CB-CB 4.19Å; R858-D861 HydrophobicContact CB-CB 4.28Å; R858-D861 IonicContact CZ-OD2 3.76Å; R858-D861 IonicContact NE-OD2 3.47Å; R858-D861 IonicContact NH1-OD2 3.67Å; R858-D861 PolarHBondContact NH1-OD2 3.49Å; R858-D861 PolarHBondContact O-N 3.5Å; D861-G863 PolarHBondContact O-N 2.69Å; D861-F864 PolarHBondContact O-N 2.83Å; D861-Y865 HydrophobicContact CB-CD2 4.33Å; D861-Y865 HydrophobicContact CB-CE2 3.85Å; D861-Y865 WeakPolarHBondContact O-CD2 3.22Å; D861-Y865 VanDerWaalsContact O-CG 3.24Å; D861-Y865 PolarHBondContact O-N 2.96Å
862A92.1Very high89.6Confident0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-60.2-45.7177.200000111.6A853 A854 R858 F859 D860 F864 Y865 Y866 Y904A853-A862 HydrophobicContact CB-CB 3.94Å; A854-A862 HydrophobicContact CB-CB 4.15Å; R858-A862 PolarHBondContact O-N 2.86Å; F859-A862 PolarHBondContact O-N 3.48Å; D860-A862 VanDerWaalsContact C-N 3.31Å; D860-A862 PolarHBondContact O-N 3.25Å; A862-F864 VanDerWaalsContact C-N 3.33Å; A862-F864 PolarHBondContact O-N 2.77Å; A862-Y865 PolarHBondContact O-N 2.85Å; A862-Y866 WeakPolarHBondContact O-CD2 3.4Å; A862-Y866 PolarHBondContact O-N 3.06Å; A862-Y904 HydrophobicContact CB-CD2 4.24Å; A862-Y904 HydrophobicContact CB-CG 4.1Å
863G91.4Very high89.4Confident4 Ų437.2 Ų37.24%0.04118%0.176CC..Hα-helixtrans-57-47.3175.300000111.8F859 D860 D861 W867 A901F859-G863 PolarHBondContact O-N 3.46Å; D860-G863 PolarHBondContact O-N 2.86Å; D861-G863 PolarHBondContact O-N 2.69Å; G863-W867 PolarHBondContact O-N 2.84Å; G863-A901 WeakPolarHBondContact O-CB 3.42Å
864F90.8Very high89Confident37 Ų3737.6 Ų37.616%0.16218%0.179CC..Hα-helixtrans-63.4-44.7177.6177.2-104.6000113.1D860 D861 A862 W867 K868 C1189 H1190D860-F864 PolarHBondContact O-N 2.79Å; D861-F864 PolarHBondContact O-N 2.83Å; A862-F864 VanDerWaalsContact C-N 3.33Å; A862-F864 PolarHBondContact O-N 2.77Å; F864-W867 HydrophobicContact CD2-CE3 4.01Å; F864-W867 HydrophobicContact CD2-CZ3 4.36Å; F864-W867 AromaticContact CE2-CE3 3.91Å; F864-W867 HydrophobicContact CE2-CE3 3.91Å; F864-W867 AromaticContact CE2-CZ3 3.81Å; F864-W867 HydrophobicContact CE2-CZ3 3.81Å; F864-W867 WeakPolarHBondContact O-CB 3.26Å; F864-W867 PolarHBondContact O-N 2.8Å; F864-K868 HydrophobicContact CE1-CD 4.15Å; F864-K868 HydrophobicContact CZ-CD 4.29Å; F864-K868 HydrophobicContact CZ-CG 4.43Å; F864-K868 PolarHBondContact O-N 2.81Å; F864-C1189 WeakPolarHBondContact CE2-O 3.34Å; F864-H1190 HydrophobicContact CD2-CB 4.24Å; F864-H1190 AromaticContact CD2-ND1 3.86Å; F864-H1190 HydrophobicContact CE2-CB 4.04Å
865Y90.3Very high88.5Confident47 Ų4741.8 Ų41.818%0.18420%0.201CC..Hα-helixtrans-66-41179.1-65-40.2000112.5L849 A853 D861 A862 W867 K868 L869L849-Y865 HydrophobicContact CB-CD2 4.47Å; L849-Y865 HydrophobicContact CD2-CE2 4.02Å; A853-Y865 HydrophobicContact CB-CD2 4.18Å; A853-Y865 HydrophobicContact CB-CE2 4.21Å; D861-Y865 HydrophobicContact CB-CD2 4.33Å; D861-Y865 HydrophobicContact CB-CE2 3.85Å; D861-Y865 WeakPolarHBondContact O-CD2 3.22Å; D861-Y865 VanDerWaalsContact O-CG 3.24Å; D861-Y865 PolarHBondContact O-N 2.96Å; A862-Y865 PolarHBondContact O-N 2.85Å; Y865-W867 VanDerWaalsContact C-N 3.3Å; Y865-W867 PolarHBondContact O-N 2.98Å; Y865-K868 PolarHBondContact O-N 2.88Å; Y865-L869 PolarHBondContact O-N 2.96Å
866Y92.9Very high88Confident5 Ų537.4 Ų37.42%0.0218%0.183CC..Hα-helixtrans-65.1-34.8174-81.3-61.7000112.3A850 T851 A862 L869 S870 F897 K900 Y904A850-Y866 HydrophobicContact CB-CD1 4.04Å; A850-Y866 HydrophobicContact CB-CD2 3.77Å; A850-Y866 HydrophobicContact CB-CE1 3.86Å; A850-Y866 HydrophobicContact CB-CE2 3.54Å; A850-Y866 HydrophobicContact CB-CG 4.01Å; T851-Y866 VanDerWaalsContact CG2-OH 3.24Å; T851-Y866 WeakPolarHBondContact CG2-OH 3.44Å; A862-Y866 WeakPolarHBondContact O-CD2 3.4Å; A862-Y866 PolarHBondContact O-N 3.06Å; Y866-L869 HydrophobicContact CD1-CD1 3.95Å; Y866-L869 HydrophobicContact CE1-CD1 4.33Å; Y866-L869 WeakPolarHBondContact O-CB 3.38Å; Y866-L869 PolarHBondContact O-N 2.77Å; Y866-S870 PolarHBondContact O-N 2.89Å; Y866-F897 AromaticContact CD1-CD1 3.71Å; Y866-F897 HydrophobicContact CD1-CD1 3.71Å; Y866-F897 HydrophobicContact CD1-CE1 4.39Å; Y866-F897 HydrophobicContact CD1-CG 4.46Å; Y866-F897 HydrophobicContact CE1-CD1 4.02Å; Y866-F897 HydrophobicContact CE1-CE1 4.32Å; Y866-K900 HydrophobicContact CD1-CB 4.06Å; Y866-K900 HydrophobicContact CD1-CD 4.03Å; Y866-K900 HydrophobicContact CD2-CB 3.93Å; Y866-K900 HydrophobicContact CE1-CB 4.37Å; Y866-K900 HydrophobicContact CE1-CD 3.62Å; Y866-K900 HydrophobicContact CE2-CB 4.28Å; Y866-K900 HydrophobicContact CE2-CD 4.41Å; Y866-K900 HydrophobicContact CG-CB 3.82Å; Y866-Y904 AromaticContact CD2-CD2 3.61Å; Y866-Y904 HydrophobicContact CD2-CD2 3.61Å; Y866-Y904 AromaticContact CD2-CE2 3.72Å; Y866-Y904 HydrophobicContact CD2-CE2 3.72Å; Y866-Y904 AromaticContact CE2-CD2 3.71Å; Y866-Y904 HydrophobicContact CE2-CD2 3.71Å; Y866-Y904 AromaticContact CE2-CE2 3.31Å; Y866-Y904 HydrophobicContact CE2-CE2 3.31Å
867W91.4Very high87.3Confident25 Ų2532.5 Ų32.510%0.09516%0.161CC..Hα-helixtrans-65-44.8170.9173.370.7000111.9G863 F864 Y865 L869 S870 V871 A901 V1166 C1167 Y1188 C1189G863-W867 PolarHBondContact O-N 2.84Å; F864-W867 HydrophobicContact CD2-CE3 4.01Å; F864-W867 HydrophobicContact CD2-CZ3 4.36Å; F864-W867 AromaticContact CE2-CE3 3.91Å; F864-W867 HydrophobicContact CE2-CE3 3.91Å; F864-W867 AromaticContact CE2-CZ3 3.81Å; F864-W867 HydrophobicContact CE2-CZ3 3.81Å; F864-W867 WeakPolarHBondContact O-CB 3.26Å; F864-W867 PolarHBondContact O-N 2.8Å; Y865-W867 VanDerWaalsContact C-N 3.3Å; Y865-W867 PolarHBondContact O-N 2.98Å; W867-L869 VanDerWaalsContact C-N 3.27Å; W867-L869 PolarHBondContact O-N 3.43Å; W867-S870 PolarHBondContact O-N 3.5Å; W867-S870 VanDerWaalsContact O-N 3.09Å; W867-S870 PolarHBondContact O-OG 3.43Å; W867-V871 HydrophobicContact CD2-CG2 4.31Å; W867-V871 HydrophobicContact CH2-CG2 4.39Å; W867-V871 HydrophobicContact CZ2-CG2 3.76Å; W867-V871 WeakPolarHBondContact O-CG2 3.19Å; W867-V871 PolarHBondContact O-N 2.92Å; W867-A901 HydrophobicContact CB-CB 4.06Å; W867-V1166 HydrophobicContact CH2-CG1 3.89Å; W867-V1166 HydrophobicContact CZ2-CG1 3.83Å; W867-C1167 HydrophobicContact CZ2-CB 4.44Å; W867-Y1188 HydrophobicContact CB-CE1 4.23Å; W867-Y1188 AromaticContact CD1-CE1 3.65Å; W867-Y1188 AromaticContact CG-CE1 3.91Å; W867-Y1188 HydrophobicContact CG-CE1 3.91Å; W867-C1189 HydrophobicContact CD2-CB 4.03Å; W867-C1189 HydrophobicContact CE3-CB 3.98Å; W867-C1189 HydrophobicContact CH2-CB 3.64Å; W867-C1189 HydrophobicContact CZ2-CB 3.68Å; W867-C1189 HydrophobicContact CZ3-CB 3.79Å
868K87.4Confident86.4Confident60 Ų6035 Ų3526%0.26117%0.17SC..Hα-helixtrans-57.6-39.5173.8-109.6-169.1-179.3-179.70112E827 L846 F864 Y865 V871 L872E827-K868 IonicContact OE1-NZ 3.58Å; E827-K868 PolarHBondContact OE1-NZ 3.19Å; L846-K868 HydrophobicContact CD2-CB 3.91Å; L846-K868 HydrophobicContact CD2-CD 4.45Å; F864-K868 HydrophobicContact CE1-CD 4.15Å; F864-K868 HydrophobicContact CZ-CD 4.29Å; F864-K868 HydrophobicContact CZ-CG 4.43Å; F864-K868 PolarHBondContact O-N 2.81Å; Y865-K868 PolarHBondContact O-N 2.88Å; K868-V871 PolarHBondContact O-N 2.77Å; K868-L872 PolarHBondContact O-N 3.21Å
869L88.6Confident85.2Confident0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-63.2-41.3174.6-83.2160.5000112.5I843 L846 E847 A850 Y865 Y866 W867 V871 L872 C873 F897I843-L869 HydrophobicContact CG2-CD2 3.81Å; L846-L869 HydrophobicContact CB-CD2 4.02Å; L846-L869 HydrophobicContact CB-CG 4.23Å; L846-L869 HydrophobicContact CD2-CD2 4.4Å; L846-L869 HydrophobicContact CD2-CG 3.95Å; E847-L869 HydrophobicContact CB-CD1 4.31Å; E847-L869 HydrophobicContact CG-CD1 3.76Å; E847-L869 HydrophobicContact CG-CD2 4.18Å; A850-L869 HydrophobicContact CB-CD1 4.26Å; Y865-L869 PolarHBondContact O-N 2.96Å; Y866-L869 HydrophobicContact CD1-CD1 3.95Å; Y866-L869 HydrophobicContact CE1-CD1 4.33Å; Y866-L869 WeakPolarHBondContact O-CB 3.38Å; Y866-L869 PolarHBondContact O-N 2.77Å; W867-L869 VanDerWaalsContact C-N 3.27Å; W867-L869 PolarHBondContact O-N 3.43Å; L869-V871 VanDerWaalsContact C-N 3.32Å; L869-L872 PolarHBondContact O-N 3.11Å; L869-C873 PolarHBondContact O-N 2.8Å; L869-C873 PolarHBondContact O-SG 2.77Å; L869-F897 HydrophobicContact CB-CB 4.43Å; L869-F897 HydrophobicContact CB-CD1 4.47Å; L869-F897 HydrophobicContact CB-CD2 3.82Å; L869-F897 HydrophobicContact CB-CE2 4.13Å; L869-F897 HydrophobicContact CB-CG 4.01Å; L869-F897 HydrophobicContact CD1-CE1 4.42Å; L869-F897 HydrophobicContact CD2-CE2 4.43Å
870S88.7Confident83.4Confident1 Ų144 Ų441%0.00722%0.221CC..Hα-helixtrans-63.8-41.6176.887.30000110.7Y866 W867 C873 L874 Y894 Q898Y866-S870 PolarHBondContact O-N 2.89Å; W867-S870 PolarHBondContact O-N 3.5Å; W867-S870 VanDerWaalsContact O-N 3.09Å; W867-S870 PolarHBondContact O-OG 3.43Å; S870-C873 WeakPolarHBondContact O-CB 3.29Å; S870-C873 PolarHBondContact O-N 3.43Å; S870-L874 PolarHBondContact O-N 2.87Å; S870-Y894 WeakPolarHBondContact O-CD2 2.88Å; S870-Q898 PolarHBondContact OG-OE1 2.82Å
871V85.4Confident82.1Confident46 Ų4648 Ų4828%0.27925%0.247SC..Hα-helixtrans-63.5-40.4174.1176.10000112W867 K868 L869 C873 L874 N875W867-V871 HydrophobicContact CD2-CG2 4.31Å; W867-V871 HydrophobicContact CH2-CG2 4.39Å; W867-V871 HydrophobicContact CZ2-CG2 3.76Å; W867-V871 WeakPolarHBondContact O-CG2 3.19Å; W867-V871 PolarHBondContact O-N 2.92Å; K868-V871 PolarHBondContact O-N 2.77Å; L869-V871 VanDerWaalsContact C-N 3.32Å; V871-C873 PolarHBondContact O-N 2.81Å; V871-L874 VanDerWaalsContact O-CB 3.29Å; V871-L874 WeakPolarHBondContact O-CB 3.35Å; V871-L874 PolarHBondContact O-N 2.81Å; V871-N875 PolarHBondContact O-N 2.79Å
872L82.7Confident80.9Confident53 Ų5348 Ų4828%0.27725%0.246SC..Hα-helixtrans-62.5-41174.5-83.8166.5000112.2L846 K868 L869 L874 N875 M876L846-L872 HydrophobicContact CD2-CD1 4.34Å; K868-L872 PolarHBondContact O-N 3.21Å; L869-L872 PolarHBondContact O-N 3.11Å; L872-L874 VanDerWaalsContact C-N 3.29Å; L872-L874 PolarHBondContact O-N 3.36Å; L872-N875 PolarHBondContact O-N 2.87Å; L872-M876 WeakPolarHBondContact O-CG 3.27Å; L872-M876 PolarHBondContact O-N 2.87Å
873C84Confident80Confident2 Ų252.3 Ų52.31%0.01427%0.272CS..Hα-helixtrans-61.4-41.3174.9-66.60000111.3L869 S870 V871 M876 L877L869-C873 PolarHBondContact O-N 2.8Å; L869-C873 PolarHBondContact O-SG 2.77Å; S870-C873 WeakPolarHBondContact O-CB 3.29Å; S870-C873 PolarHBondContact O-N 3.43Å; V871-C873 PolarHBondContact O-N 2.81Å; C873-M876 PolarHBondContact O-N 2.77Å; C873-L877 WeakPolarHBondContact O-CG 3.19Å; C873-L877 PolarHBondContact O-N 3.05Å
874L80.8Confident79.2Confident9 Ų961 Ų615%0.04731%0.309CS..Hα-helixtrans-60.2-46.8172.9-98.3161.5000112.5S870 V871 L872 M876 L877 N878 Y894 P1145 P1146 L1147S870-L874 PolarHBondContact O-N 2.87Å; V871-L874 VanDerWaalsContact O-CB 3.29Å; V871-L874 WeakPolarHBondContact O-CB 3.35Å; V871-L874 PolarHBondContact O-N 2.81Å; L872-L874 VanDerWaalsContact C-N 3.29Å; L872-L874 PolarHBondContact O-N 3.36Å; L874-M876 VanDerWaalsContact C-N 3.31Å; L874-M876 PolarHBondContact O-N 3.42Å; L874-L877 WeakPolarHBondContact O-CB 3.42Å; L874-L877 PolarHBondContact O-N 2.75Å; L874-L877 VanDerWaalsContact O-N 3.13Å; L874-N878 PolarHBondContact O-N 3.16Å; L874-Y894 HydrophobicContact CD1-CD2 3.78Å; L874-Y894 HydrophobicContact CD1-CE2 3.34Å; L874-Y894 HydrophobicContact CG-CD2 4Å; L874-Y894 HydrophobicContact CG-CE2 4.04Å; L874-P1145 WeakPolarHBondContact CD2-O 3.45Å; L874-P1146 HydrophobicContact CD2-CG 4.47Å; L874-L1147 HydrophobicContact CD2-CD1 4.41Å; L874-L1147 HydrophobicContact CD2-CG 4.43Å
875N80.5Confident78.6Confident89 Ų8963.3 Ų63.348%0.47633%0.328SS..Hα-helixtrans-63.8-36.9177.9-75.3-22.5000112.2V871 L872 L877 N878V871-N875 PolarHBondContact O-N 2.79Å; L872-N875 PolarHBondContact O-N 2.87Å; N875-L877 VanDerWaalsContact C-N 3.34Å; N875-N878 PolarHBondContact O-N 3.02Å
876M78.2Confident78Confident43 Ų4363.8 Ų63.821%0.21234%0.336CS..Hα-helixtrans-65.8-38.7173.9-69.1-150.5-61.700111.5I843 L872 C873 L874 N878 N879 I882 L890I843-M876 HydrophobicContact CD1-CE 3.3Å; I843-M876 HydrophobicContact CD1-SD 3.89Å; L872-M876 WeakPolarHBondContact O-CG 3.27Å; L872-M876 PolarHBondContact O-N 2.87Å; C873-M876 PolarHBondContact O-N 2.77Å; L874-M876 VanDerWaalsContact C-N 3.31Å; L874-M876 PolarHBondContact O-N 3.42Å; M876-N878 PolarHBondContact O-N 3.47Å; M876-N878 VanDerWaalsContact O-N 3.16Å; M876-N879 WeakPolarHBondContact O-CB 3.21Å; M876-N879 PolarHBondContact O-N 2.89Å; M876-I882 WeakPolarHBondContact O-CD1 3.44Å; M876-L890 HydrophobicContact CB-CD1 4.27Å; M876-L890 HydrophobicContact CE-CD2 3.49Å; M876-L890 VanDerWaalsContact CE-CD2 3.49Å
877L74.8Confident77.3Confident14 Ų1467.6 Ų67.67%0.07335%0.351CS..Hα-helixtrans-60.9-21.5176.6-73.8161.5000113.7C873 L874 N875 N879 Y887 L890 P1146C873-L877 WeakPolarHBondContact O-CG 3.19Å; C873-L877 PolarHBondContact O-N 3.05Å; L874-L877 WeakPolarHBondContact O-CB 3.42Å; L874-L877 PolarHBondContact O-N 2.75Å; L874-L877 VanDerWaalsContact O-N 3.13Å; N875-L877 VanDerWaalsContact C-N 3.34Å; L877-N879 VanDerWaalsContact C-N 3.31Å; L877-Y887 HydrophobicContact CD2-CD1 4.46Å; L877-Y887 HydrophobicContact CD2-CD2 3.35Å; L877-Y887 HydrophobicContact CD2-CE2 3.53Å; L877-Y887 HydrophobicContact CD2-CG 3.85Å; L877-L890 HydrophobicContact CD1-CB 4.3Å; L877-L890 HydrophobicContact CD2-CB 3.85Å; L877-L890 HydrophobicContact CD2-CD1 4.17Å; L877-L890 HydrophobicContact CG-CB 3.98Å; L877-L890 HydrophobicContact CG-CD1 4.28Å; L877-P1146 HydrophobicContact CB-CG 3.89Å
878N69.9Low76.9Confident92 Ų9273.5 Ų73.549%0.49238%0.379SS..THydrogen-bonded Turntrans-76-12.3174.8-77-20.2000114L874 N875 M876 E880L874-N878 PolarHBondContact O-N 3.16Å; N875-N878 PolarHBondContact O-N 3.02Å; M876-N878 PolarHBondContact O-N 3.47Å; M876-N878 VanDerWaalsContact O-N 3.16Å; N878-E880 PolarHBondContact O-N 2.91Å
879N67.5Low76.8Confident98 Ų9875.9 Ų75.952%0.52439%0.391SS..SBendtrans-74.5123.7176.2-77.1-27.6000111.1M876 L877 T881 I882M876-N879 WeakPolarHBondContact O-CB 3.21Å; M876-N879 PolarHBondContact O-N 2.89Å; L877-N879 VanDerWaalsContact C-N 3.31Å; N879-T881 PolarHBondContact O-N 2.74Å; N879-I882 HydrophobicContact CB-CD1 4.23Å; N879-I882 WeakPolarHBondContact O-CG1 3.17Å
880E54.5Low76.5Confident202 Ų20276.6 Ų76.694%0.94440%0.395SS*.THydrogen-bonded Turntrans-62.9-12.4-172.1-65.4-176.3161.100115.1N878N878-E880 PolarHBondContact O-N 2.91Å
881T63.5Low76.4Confident132 Ų13278.6 Ų78.681%0.8141%0.405SS*.THydrogen-bonded Turntrans-99.833.8-172.256.70000114.4N879N879-T881 PolarHBondContact O-N 2.74Å
882I64.6Low76.5Confident50 Ų5079.9 Ų79.926%0.25642%0.417SS..  trans-105.2129.9-174.5-64.3175.4000111.8M876 N879 V886 L890M876-I882 WeakPolarHBondContact O-CD1 3.44Å; N879-I882 HydrophobicContact CB-CD1 4.23Å; N879-I882 WeakPolarHBondContact O-CG1 3.17Å; I882-V886 HydrophobicContact CG2-CB 3.82Å; I882-V886 HydrophobicContact CG2-CG1 3.8Å; I882-L890 HydrophobicContact CD1-CD1 4.25Å
883T71.9Confident76.8Confident89 Ų8982 Ų8255%0.54642%0.421SS..  trans-76.8145.8176.253.90000111P885 V886 Y887T883-P885 VanDerWaalsContact C-N 3.33Å; T883-P885 VanDerWaalsContact O-N 3.13Å; T883-V886 PolarHBondContact O-N 2.85Å; T883-V886 WeakPolarHBondContact OG1-CG2 3.24Å; T883-Y887 PolarHBondContact O-N 2.68Å
884K75.1Confident77.1Confident186 Ų18683.3 Ų83.381%0.80943%0.426SS*.Hα-helixtrans-42.3-43.5178-107.3-177.3178.9179.30116.3Y887 Q888K884-Y887 WeakPolarHBondContact O-CB 3.43Å; K884-Y887 PolarHBondContact O-N 3.19Å; K884-Q888 PolarHBondContact O-N 3.15Å; K884-Q888 VanDerWaalsContact O-N 3.16Å
885P77.9Confident77.5Confident87 Ų8787.4 Ų87.457%0.56545%0.448SS*.Hα-helixtrans-66.4-42.9177.623.1-33.5000112.7T883 Y887 Q888 E889T883-P885 VanDerWaalsContact C-N 3.33Å; T883-P885 VanDerWaalsContact O-N 3.13Å; P885-Y887 VanDerWaalsContact C-N 3.25Å; P885-Y887 PolarHBondContact O-N 2.93Å; P885-Q888 PolarHBondContact O-N 2.94Å; P885-E889 PolarHBondContact O-N 3.2Å
886V76.8Confident78Confident57 Ų5786.3 Ų86.335%0.34544%0.442SS..Hα-helixtrans-65.3-34.8177.6178.80000110.4I882 T883 E889 L890I882-V886 HydrophobicContact CG2-CB 3.82Å; I882-V886 HydrophobicContact CG2-CG1 3.8Å; T883-V886 PolarHBondContact O-N 2.85Å; T883-V886 WeakPolarHBondContact OG1-CG2 3.24Å; V886-E889 PolarHBondContact O-N 3.38Å; V886-L890 HydrophobicContact CG1-CD1 3.98Å; V886-L890 HydrophobicContact CG1-CG 4.41Å; V886-L890 WeakPolarHBondContact O-CB 3.13Å; V886-L890 WeakPolarHBondContact O-CG 3.26Å; V886-L890 PolarHBondContact O-N 2.91Å
887Y80.2Confident78.7Confident85 Ų8584.3 Ų84.333%0.33343%0.432SS..Hα-helixtrans-59.7-47.6172.8-171.7-85.1000111.7L877 T883 K884 P885 L891L877-Y887 HydrophobicContact CD2-CD1 4.46Å; L877-Y887 HydrophobicContact CD2-CD2 3.35Å; L877-Y887 HydrophobicContact CD2-CE2 3.53Å; L877-Y887 HydrophobicContact CD2-CG 3.85Å; T883-Y887 PolarHBondContact O-N 2.68Å; K884-Y887 WeakPolarHBondContact O-CB 3.43Å; K884-Y887 PolarHBondContact O-N 3.19Å; P885-Y887 VanDerWaalsContact C-N 3.25Å; P885-Y887 PolarHBondContact O-N 2.93Å; Y887-L891 HydrophobicContact CD1-CD1 3.98Å; Y887-L891 HydrophobicContact CE1-CD1 3.31Å; Y887-L891 WeakPolarHBondContact O-CB 3.35Å; Y887-L891 PolarHBondContact O-N 2.81Å; Y887-L891 VanDerWaalsContact O-N 3.1Å
888Q82.9Confident79.4Confident148 Ų14884.8 Ų84.869%0.69243%0.434SS*.Hα-helixtrans-66.1-38.1177.8-78.2-177.2-31.300112.9K884 P885 L891 S892K884-Q888 PolarHBondContact O-N 3.15Å; K884-Q888 VanDerWaalsContact O-N 3.16Å; P885-Q888 PolarHBondContact O-N 2.94Å; Q888-L891 PolarHBondContact O-N 3.28Å; Q888-S892 PolarHBondContact O-N 3.45Å
889E84.2Confident80.5Confident111 Ų11184 Ų8452%0.51942%0.424SS..Hα-helixtrans-65.8-43.9178.5-170.7179.1-17600111.8P885 V886 L891 S892 R893P885-E889 PolarHBondContact O-N 3.2Å; V886-E889 PolarHBondContact O-N 3.38Å; E889-L891 VanDerWaalsContact C-N 3.29Å; E889-L891 PolarHBondContact O-N 2.81Å; E889-S892 PolarHBondContact O-N 2.59Å; E889-S892 PolarHBondContact O-OG 3.16Å; E889-R893 PolarHBondContact O-N 3.13Å
890L83.1Confident81.7Confident14 Ų1481 Ų817%0.07341%0.406CS..Hα-helixtrans-64.3-35.9175.1-75.4169.4000112.3M876 L877 I882 V886 R893 Y894M876-L890 HydrophobicContact CB-CD1 4.27Å; M876-L890 HydrophobicContact CE-CD2 3.49Å; M876-L890 VanDerWaalsContact CE-CD2 3.49Å; L877-L890 HydrophobicContact CD1-CB 4.3Å; L877-L890 HydrophobicContact CD2-CB 3.85Å; L877-L890 HydrophobicContact CD2-CD1 4.17Å; L877-L890 HydrophobicContact CG-CB 3.98Å; L877-L890 HydrophobicContact CG-CD1 4.28Å; I882-L890 HydrophobicContact CD1-CD1 4.25Å; V886-L890 HydrophobicContact CG1-CD1 3.98Å; V886-L890 HydrophobicContact CG1-CG 4.41Å; V886-L890 WeakPolarHBondContact O-CB 3.13Å; V886-L890 WeakPolarHBondContact O-CG 3.26Å; V886-L890 PolarHBondContact O-N 2.91Å; L890-R893 PolarHBondContact O-N 2.7Å; L890-Y894 WeakPolarHBondContact O-CB 3.21Å; L890-Y894 PolarHBondContact O-N 3.16Å
891L85.6Confident83.6Confident43 Ų4371.3 Ų71.323%0.22536%0.361CS..Hα-helixtrans-68.4-40.1176.8-131.3143.4000111.8Y887 Q888 E889 R893 Y894 D895 L1147Y887-L891 HydrophobicContact CD1-CD1 3.98Å; Y887-L891 HydrophobicContact CE1-CD1 3.31Å; Y887-L891 WeakPolarHBondContact O-CB 3.35Å; Y887-L891 PolarHBondContact O-N 2.81Å; Y887-L891 VanDerWaalsContact O-N 3.1Å; Q888-L891 PolarHBondContact O-N 3.28Å; E889-L891 VanDerWaalsContact C-N 3.29Å; E889-L891 PolarHBondContact O-N 2.81Å; L891-R893 VanDerWaalsContact C-N 3.34Å; L891-Y894 WeakPolarHBondContact O-CB 3.36Å; L891-Y894 PolarHBondContact O-N 3.12Å; L891-D895 PolarHBondContact O-N 2.75Å; L891-L1147 HydrophobicContact CD2-CD2 4.19Å
892S88Confident85Confident74 Ų7465.9 Ų65.952%0.51733%0.327SS..Hα-helixtrans-67.5-37.1175.4100.90000111.8Q888 E889 D895 D896Q888-S892 PolarHBondContact O-N 3.45Å; E889-S892 PolarHBondContact O-N 2.59Å; E889-S892 PolarHBondContact O-OG 3.16Å; S892-D895 PolarHBondContact O-N 3.04Å; S892-D896 PolarHBondContact O-N 3.03Å
893R88.9Confident86.4Confident98 Ų9863.5 Ų63.537%0.3732%0.315SS..Hα-helixtrans-64.6-42.5173.6-87.1-176.7154.8175.3-9.1111.9E889 L890 L891 D895 D896 F897E889-R893 PolarHBondContact O-N 3.13Å; L890-R893 PolarHBondContact O-N 2.7Å; L891-R893 VanDerWaalsContact C-N 3.34Å; R893-D895 PolarHBondContact O-N 3.12Å; R893-D896 PolarHBondContact O-N 2.6Å; R893-F897 HydrophobicContact CB-CD2 4.33Å; R893-F897 HydrophobicContact CB-CE2 3.97Å; R893-F897 HydrophobicContact CG-CE2 4.4Å; R893-F897 WeakPolarHBondContact O-CB 3.47Å; R893-F897 WeakPolarHBondContact O-CD2 3.37Å; R893-F897 WeakPolarHBondContact O-CG 3.43Å; R893-F897 PolarHBondContact O-N 2.87Å
894Y90.6Very high87.5Confident29 Ų2959.3 Ų59.311%0.11429%0.289CS..Hα-helixtrans-55.4-50.9173.5165-95.4000111.3S870 L874 L890 L891 D896 F897 Q898 L1147S870-Y894 WeakPolarHBondContact O-CD2 2.88Å; L874-Y894 HydrophobicContact CD1-CD2 3.78Å; L874-Y894 HydrophobicContact CD1-CE2 3.34Å; L874-Y894 HydrophobicContact CG-CD2 4Å; L874-Y894 HydrophobicContact CG-CE2 4.04Å; L890-Y894 WeakPolarHBondContact O-CB 3.21Å; L890-Y894 PolarHBondContact O-N 3.16Å; L891-Y894 WeakPolarHBondContact O-CB 3.36Å; L891-Y894 PolarHBondContact O-N 3.12Å; Y894-D896 VanDerWaalsContact C-N 3.33Å; Y894-D896 PolarHBondContact O-N 3.4Å; Y894-F897 PolarHBondContact O-N 2.8Å; Y894-Q898 VanDerWaalsContact O-CB 3.24Å; Y894-Q898 WeakPolarHBondContact O-CB 3.44Å; Y894-Q898 PolarHBondContact O-N 2.79Å; Y894-L1147 HydrophobicContact CD1-CD1 4.47Å; Y894-L1147 HydrophobicContact CE1-CD1 3.67Å
895D88.7Confident88.5Confident95 Ų9551.4 Ų51.451%0.50825%0.254SS..Hα-helixtrans-62.4-39.5-179.5-77.6-22.4000112.1L891 S892 R893 R899L891-D895 PolarHBondContact O-N 2.75Å; S892-D895 PolarHBondContact O-N 3.04Å; R893-D895 PolarHBondContact O-N 3.12Å; D895-R899 VanDerWaalsContact O-CB 3.3Å; D895-R899 WeakPolarHBondContact O-CB 3.13Å; D895-R899 PolarHBondContact O-N 2.86Å
896D90.7Very high89.2Confident66 Ų6647.4 Ų47.435%0.35323%0.228SC..Hα-helixtrans-68.7-44.3178.4-166.149.3000112.2S892 R893 Y894 R899 K900S892-D896 PolarHBondContact O-N 3.03Å; R893-D896 PolarHBondContact O-N 2.6Å; Y894-D896 VanDerWaalsContact C-N 3.33Å; Y894-D896 PolarHBondContact O-N 3.4Å; D896-R899 PolarHBondContact O-N 2.92Å; D896-K900 WeakPolarHBondContact O-CG 3.42Å; D896-K900 PolarHBondContact O-N 2.76Å; D896-K900 WeakPolarHBondContact OD2-CE 3.33Å; D896-K900 IonicContact OD2-NZ 3.13Å; D896-K900 PolarHBondContact OD2-NZ 3.11Å
897F92.7Very high90.1Very high1 Ų145.1 Ų45.10%0.00421%0.213CC..Hα-helixtrans-64.5-40.7175.1-65.4-35.1000111.9E847 Y866 L869 R893 Y894 R899 K900 A901E847-F897 HydrophobicContact CG-CE1 3.8Å; E847-F897 HydrophobicContact CG-CZ 3.82Å; E847-F897 WeakPolarHBondContact OE1-CE1 3.38Å; E847-F897 WeakPolarHBondContact OE1-CZ 3.13Å; Y866-F897 AromaticContact CD1-CD1 3.71Å; Y866-F897 HydrophobicContact CD1-CD1 3.71Å; Y866-F897 HydrophobicContact CD1-CE1 4.39Å; Y866-F897 HydrophobicContact CD1-CG 4.46Å; Y866-F897 HydrophobicContact CE1-CD1 4.02Å; Y866-F897 HydrophobicContact CE1-CE1 4.32Å; L869-F897 HydrophobicContact CB-CB 4.43Å; L869-F897 HydrophobicContact CB-CD1 4.47Å; L869-F897 HydrophobicContact CB-CD2 3.82Å; L869-F897 HydrophobicContact CB-CE2 4.13Å; L869-F897 HydrophobicContact CB-CG 4.01Å; L869-F897 HydrophobicContact CD1-CE1 4.42Å; L869-F897 HydrophobicContact CD2-CE2 4.43Å; R893-F897 HydrophobicContact CB-CD2 4.33Å; R893-F897 HydrophobicContact CB-CE2 3.97Å; R893-F897 HydrophobicContact CG-CE2 4.4Å; R893-F897 WeakPolarHBondContact O-CB 3.47Å; R893-F897 WeakPolarHBondContact O-CD2 3.37Å; R893-F897 WeakPolarHBondContact O-CG 3.43Å; R893-F897 PolarHBondContact O-N 2.87Å; Y894-F897 PolarHBondContact O-N 2.8Å; F897-R899 VanDerWaalsContact C-N 3.33Å; F897-R899 PolarHBondContact O-N 2.82Å; F897-K900 PolarHBondContact O-N 3.24Å; F897-A901 WeakPolarHBondContact O-CB 3.18Å; F897-A901 PolarHBondContact O-N 2.91Å
898Q91Very high90.8Very high23 Ų2342 Ų4211%0.10720%0.202CC..Hα-helixtrans-64.9-39.5177.2-16561.63800111.5S870 Y894 A901 D902 Y1188S870-Q898 PolarHBondContact OG-OE1 2.82Å; Y894-Q898 VanDerWaalsContact O-CB 3.24Å; Y894-Q898 WeakPolarHBondContact O-CB 3.44Å; Y894-Q898 PolarHBondContact O-N 2.79Å; Q898-A901 PolarHBondContact O-N 2.92Å; Q898-D902 PolarHBondContact O-N 2.89Å; Q898-Y1188 PolarHBondContact NE2-OH 2.97Å
899R92.1Very high91.2Very high76 Ų7636 Ų3629%0.28718%0.175SC..Hα-helixtrans-62.9-43.4173.8-176.3-177.3177.1-174-0.4111.9D895 D896 F897 V903 I936 F939 G940D895-R899 VanDerWaalsContact O-CB 3.3Å; D895-R899 WeakPolarHBondContact O-CB 3.13Å; D895-R899 PolarHBondContact O-N 2.86Å; D896-R899 PolarHBondContact O-N 2.92Å; F897-R899 VanDerWaalsContact C-N 3.33Å; F897-R899 PolarHBondContact O-N 2.82Å; R899-V903 WeakPolarHBondContact O-CG2 3.34Å; R899-V903 PolarHBondContact O-N 2.85Å; R899-V903 VanDerWaalsContact O-N 3.09Å; R899-I936 HydrophobicContact CG-CG2 4.17Å; R899-I936 PolarHBondContact NH2-O 3Å; R899-F939 PolarHBondContact NH1-O 3.13Å; R899-F939 PolarHBondContact NH2-O 3.48Å; R899-G940 PolarHBondContact NH2-O 2.92Å
900K93.5Very high91.6Very high34 Ų3430.7 Ų30.715%0.14815%0.15CC..Hα-helixtrans-64.9-43.3176.5-75.1169.8178.3156.70111.7Y866 D896 F897 D902 V903 Y904Y866-K900 HydrophobicContact CD1-CB 4.06Å; Y866-K900 HydrophobicContact CD1-CD 4.03Å; Y866-K900 HydrophobicContact CD2-CB 3.93Å; Y866-K900 HydrophobicContact CE1-CB 4.37Å; Y866-K900 HydrophobicContact CE1-CD 3.62Å; Y866-K900 HydrophobicContact CE2-CB 4.28Å; Y866-K900 HydrophobicContact CE2-CD 4.41Å; Y866-K900 HydrophobicContact CG-CB 3.82Å; D896-K900 WeakPolarHBondContact O-CG 3.42Å; D896-K900 PolarHBondContact O-N 2.76Å; D896-K900 WeakPolarHBondContact OD2-CE 3.33Å; D896-K900 IonicContact OD2-NZ 3.13Å; D896-K900 PolarHBondContact OD2-NZ 3.11Å; F897-K900 PolarHBondContact O-N 3.24Å; K900-D902 PolarHBondContact O-N 3.42Å; K900-V903 PolarHBondContact O-N 3.06Å; K900-Y904 HydrophobicContact CB-CD2 4.28Å; K900-Y904 HydrophobicContact CB-CE2 4.21Å; K900-Y904 WeakPolarHBondContact O-CD2 3.46Å; K900-Y904 PolarHBondContact O-N 2.98Å
901A93.3Very high92.1Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-57.1-49.5176.800000111.4G863 W867 F897 Q898 V903 Y905 Y1188G863-A901 WeakPolarHBondContact O-CB 3.42Å; W867-A901 HydrophobicContact CB-CB 4.06Å; F897-A901 WeakPolarHBondContact O-CB 3.18Å; F897-A901 PolarHBondContact O-N 2.91Å; Q898-A901 PolarHBondContact O-N 2.92Å; A901-V903 VanDerWaalsContact C-N 3.34Å; A901-V903 PolarHBondContact O-N 2.75Å; A901-Y905 VanDerWaalsContact O-CB 3.23Å; A901-Y905 WeakPolarHBondContact O-CB 3.42Å; A901-Y905 PolarHBondContact O-N 2.79Å; A901-Y1188 WeakPolarHBondContact CB-OH 3.47Å
902D93.2Very high92.4Very high18 Ų1835.6 Ų35.610%0.09617%0.165CC..Hα-helixtrans-60.5-42.3177.6-72-5000112.1Q898 K900 V906 F1037 K1169 Y1188Q898-D902 PolarHBondContact O-N 2.89Å; K900-D902 PolarHBondContact O-N 3.42Å; D902-V906 VanDerWaalsContact O-CG2 3.28Å; D902-V906 WeakPolarHBondContact O-CG2 3.31Å; D902-V906 PolarHBondContact O-N 2.66Å; D902-F1037 HydrophobicContact CB-CE1 4.1Å; D902-F1037 HydrophobicContact CB-CZ 4.29Å; D902-K1169 WeakPolarHBondContact OD1-CE 3.24Å; D902-K1169 IonicContact OD1-NZ 3.02Å; D902-K1169 PolarHBondContact OD1-NZ 2.75Å; D902-K1169 IonicContact OD2-NZ 3.88Å; D902-K1169 PolarHBondContact OD2-NZ 3.37Å; D902-Y1188 WeakPolarHBondContact OD1-CE2 3.31Å; D902-Y1188 PolarHBondContact OD1-OH 3.24Å
903V94.6Very high92.5Very high0 Ų033.5 Ų33.50%015%0.147CC..Hα-helixtrans-71-46.2-177.71640000112.5R899 K900 A901 Y905 V906 Y907 L933 I936 I942 V945R899-V903 WeakPolarHBondContact O-CG2 3.34Å; R899-V903 PolarHBondContact O-N 2.85Å; R899-V903 VanDerWaalsContact O-N 3.09Å; K900-V903 PolarHBondContact O-N 3.06Å; A901-V903 VanDerWaalsContact C-N 3.34Å; A901-V903 PolarHBondContact O-N 2.75Å; V903-Y905 VanDerWaalsContact C-N 3.34Å; V903-V906 PolarHBondContact O-N 3.19Å; V903-Y907 WeakPolarHBondContact O-CB 3.41Å; V903-Y907 PolarHBondContact O-N 2.91Å; V903-L933 HydrophobicContact CB-CD2 4.05Å; V903-L933 HydrophobicContact CG1-CD2 3.79Å; V903-L933 HydrophobicContact CG2-CD2 3.89Å; V903-I936 HydrophobicContact CG2-CB 4.36Å; V903-I936 HydrophobicContact CG2-CD1 4.11Å; V903-I936 HydrophobicContact CG2-CG2 3.75Å; V903-I942 HydrophobicContact CB-CD1 3.6Å; V903-I942 HydrophobicContact CG1-CB 4.35Å; V903-I942 HydrophobicContact CG1-CD1 3.57Å; V903-I942 HydrophobicContact CG1-CG2 4.19Å; V903-I942 HydrophobicContact CG2-CD1 3.46Å; V903-I942 VanDerWaalsContact CG2-CD1 3.46Å; V903-V945 HydrophobicContact CG1-CG2 3.83Å
904Y95.5Very high92.5Very high0 Ų030.9 Ų30.90%014%0.14CC..Hα-helixtrans-66.3-38.6179.4-74-58.1000111.9A854 F859 A862 Y866 K900 V906 Y907 N908 I942 P943 V945A854-Y904 HydrophobicContact CB-CD1 4.38Å; A854-Y904 HydrophobicContact CB-CE1 3.62Å; A854-Y904 HydrophobicContact CB-CE2 4.29Å; F859-Y904 AromaticContact CD1-CD1 3.61Å; F859-Y904 HydrophobicContact CD1-CD1 3.61Å; F859-Y904 HydrophobicContact CD1-CE1 4.05Å; F859-Y904 HydrophobicContact CE1-CD1 4.26Å; F859-Y904 HydrophobicContact CE1-CE1 4.27Å; A862-Y904 HydrophobicContact CB-CD2 4.24Å; A862-Y904 HydrophobicContact CB-CG 4.1Å; Y866-Y904 AromaticContact CD2-CD2 3.61Å; Y866-Y904 HydrophobicContact CD2-CD2 3.61Å; Y866-Y904 AromaticContact CD2-CE2 3.72Å; Y866-Y904 HydrophobicContact CD2-CE2 3.72Å; Y866-Y904 AromaticContact CE2-CD2 3.71Å; Y866-Y904 HydrophobicContact CE2-CD2 3.71Å; Y866-Y904 AromaticContact CE2-CE2 3.31Å; Y866-Y904 HydrophobicContact CE2-CE2 3.31Å; K900-Y904 HydrophobicContact CB-CD2 4.28Å; K900-Y904 HydrophobicContact CB-CE2 4.21Å; K900-Y904 WeakPolarHBondContact O-CD2 3.46Å; K900-Y904 PolarHBondContact O-N 2.98Å; Y904-V906 PolarHBondContact O-N 2.83Å; Y904-Y907 PolarHBondContact O-N 3.32Å; Y904-N908 PolarHBondContact O-N 2.7Å; Y904-I942 HydrophobicContact CE1-CG2 4.26Å; Y904-I942 HydrophobicContact CE2-CG2 4.02Å; Y904-P943 PolarHBondContact OH-O 3.34Å; Y904-V945 HydrophobicContact CD1-CG2 4.1Å; Y904-V945 HydrophobicContact CE1-CG2 3.79Å
905Y94.4Very high92.3Very high21 Ų2135.7 Ų35.78%0.08216%0.163CC..Hα-helixtrans-57.1-50.2174.1174.8-105.1000112.1A901 V903 N908 F1037 P1187 Y1188A901-Y905 VanDerWaalsContact O-CB 3.23Å; A901-Y905 WeakPolarHBondContact O-CB 3.42Å; A901-Y905 PolarHBondContact O-N 2.79Å; V903-Y905 VanDerWaalsContact C-N 3.34Å; Y905-N908 WeakPolarHBondContact O-CB 2.82Å; Y905-F1037 HydrophobicContact CD1-CD1 4.11Å; Y905-F1037 HydrophobicContact CE1-CD1 4.17Å; Y905-F1037 WeakPolarHBondContact CE1-O 3.19Å; Y905-P1187 WeakPolarHBondContact CE2-O 3.39Å; Y905-Y1188 AromaticContact CD1-CD2 3.8Å; Y905-Y1188 HydrophobicContact CD1-CD2 3.8Å; Y905-Y1188 HydrophobicContact CD1-CE2 4.19Å; Y905-Y1188 HydrophobicContact CD2-CD2 4.18Å; Y905-Y1188 HydrophobicContact CE1-CD2 4.13Å; Y905-Y1188 AromaticContact CG-CD2 3.81Å; Y905-Y1188 HydrophobicContact CG-CD2 3.81Å; Y905-Y1188 HydrophobicContact CG-CE2 4.13Å
906V94.4Very high92.2Very high2 Ų235 Ų351%0.01216%0.157CC..Hα-helixtrans-70.1-38.8179.9177.90000111.6D902 V903 Y904 N908 N909 M929 Y932 L933 L1040D902-V906 VanDerWaalsContact O-CG2 3.28Å; D902-V906 WeakPolarHBondContact O-CG2 3.31Å; D902-V906 PolarHBondContact O-N 2.66Å; V903-V906 PolarHBondContact O-N 3.19Å; Y904-V906 PolarHBondContact O-N 2.83Å; V906-N908 VanDerWaalsContact C-N 3.3Å; V906-N908 PolarHBondContact O-N 2.57Å; V906-N909 PolarHBondContact O-N 2.74Å; V906-M929 HydrophobicContact CG1-CB 3.79Å; V906-M929 HydrophobicContact CG1-CG 4Å; V906-Y932 HydrophobicContact CG1-CD1 4.3Å; V906-Y932 HydrophobicContact CG2-CD1 4.09Å; V906-Y932 HydrophobicContact CG2-CE1 4Å; V906-L933 HydrophobicContact CB-CD1 4.37Å; V906-L933 HydrophobicContact CB-CD2 4.1Å; V906-L933 HydrophobicContact CB-CG 4.22Å; V906-L933 HydrophobicContact CG1-CD1 3.87Å; V906-L933 HydrophobicContact CG1-CD2 4.2Å; V906-L933 HydrophobicContact CG1-CG 3.76Å; V906-L1040 HydrophobicContact CB-CD1 4.32Å; V906-L1040 HydrophobicContact CG1-CD1 3.52Å; V906-L1040 HydrophobicContact CG2-CD1 3.74Å
907Y95.1Very high91.7Very high9 Ų937.3 Ų37.34%0.03518%0.175CC..Hα-helixtrans-67.5-29.4-178.9-175.6-111.2000112.8F859 V903 Y904 N909 I910 Y911 L933 V945 S946 A949 V950F859-Y907 AromaticContact CD1-CD1 3.91Å; F859-Y907 HydrophobicContact CD1-CD1 3.91Å; F859-Y907 HydrophobicContact CD1-CE1 4.29Å; F859-Y907 AromaticContact CD2-CD1 3.88Å; F859-Y907 HydrophobicContact CD2-CD1 3.88Å; F859-Y907 HydrophobicContact CD2-CE1 4.03Å; F859-Y907 AromaticContact CE1-CD1 3.91Å; F859-Y907 HydrophobicContact CE1-CD1 3.91Å; F859-Y907 AromaticContact CE1-CE1 3.83Å; F859-Y907 HydrophobicContact CE1-CE1 3.83Å; F859-Y907 AromaticContact CE2-CD1 3.89Å; F859-Y907 HydrophobicContact CE2-CD1 3.89Å; F859-Y907 AromaticContact CE2-CE1 3.56Å; F859-Y907 HydrophobicContact CE2-CE1 3.56Å; F859-Y907 AromaticContact CG-CD1 3.89Å; F859-Y907 HydrophobicContact CG-CD1 3.89Å; F859-Y907 HydrophobicContact CG-CE1 4.38Å; F859-Y907 AromaticContact CZ-CD1 3.92Å; F859-Y907 HydrophobicContact CZ-CD1 3.92Å; F859-Y907 AromaticContact CZ-CE1 3.45Å; F859-Y907 HydrophobicContact CZ-CE1 3.45Å; F859-Y907 VanDerWaalsContact CZ-CE1 3.45Å; V903-Y907 WeakPolarHBondContact O-CB 3.41Å; V903-Y907 PolarHBondContact O-N 2.91Å; Y904-Y907 PolarHBondContact O-N 3.32Å; Y907-N909 VanDerWaalsContact C-N 3.27Å; Y907-N909 PolarHBondContact O-N 3.22Å; Y907-I910 HydrophobicContact CD2-CB 4.41Å; Y907-I910 HydrophobicContact CD2-CG2 4.46Å; Y907-I910 HydrophobicContact CE2-CG2 4.42Å; Y907-I910 PolarHBondContact O-N 2.81Å; Y907-I910 VanDerWaalsContact O-N 3.12Å; Y907-Y911 WeakPolarHBondContact O-CB 3.43Å; Y907-Y911 PolarHBondContact O-N 2.82Å; Y907-L933 HydrophobicContact CD2-CD1 4.15Å; Y907-V945 HydrophobicContact CD1-CG1 4.42Å; Y907-V945 HydrophobicContact CD1-CG2 4.18Å; Y907-V945 HydrophobicContact CD2-CG1 3.72Å; Y907-V945 HydrophobicContact CE2-CG1 3.89Å; Y907-V945 HydrophobicContact CG-CG1 3.99Å; Y907-V945 HydrophobicContact CG-CG2 4.29Å; Y907-S946 VanDerWaalsContact OH-CB 3.3Å; Y907-S946 WeakPolarHBondContact OH-CB 3.25Å; Y907-S946 PolarHBondContact OH-N 3.18Å; Y907-S946 VanDerWaalsContact OH-N 3.07Å; Y907-A949 HydrophobicContact CE2-CB 4.32Å; Y907-V950 HydrophobicContact CD2-CG2 3.93Å; Y907-V950 HydrophobicContact CE2-CG2 3.91Å
908N94Very high91.1Very high20 Ų2045.1 Ų45.111%0.10721%0.21CC..Hα-helixtrans-51.4-46.2173.2-175.437.2000111.9F859 D860 Y904 Y905 V906 I910 Y911 R912F859-N908 HydrophobicContact CB-CB 3.8Å; D860-N908 WeakPolarHBondContact CB-ND2 3.36Å; D860-N908 PolarHBondContact OD1-ND2 2.81Å; Y904-N908 PolarHBondContact O-N 2.7Å; Y905-N908 WeakPolarHBondContact O-CB 2.82Å; V906-N908 VanDerWaalsContact C-N 3.3Å; V906-N908 PolarHBondContact O-N 2.57Å; N908-I910 PolarHBondContact O-N 2.81Å; N908-Y911 PolarHBondContact O-N 3Å; N908-R912 WeakPolarHBondContact O-CG 3.4Å; N908-R912 PolarHBondContact O-N 3.35Å
909N92.3Very high90.7Very high21 Ų2147 Ų4711%0.11223%0.23CC..Hα-helixtrans-65.3-38.4-179.9-66.1-41.2000112.6V906 Y907 F913 M929V906-N909 PolarHBondContact O-N 2.74Å; Y907-N909 VanDerWaalsContact C-N 3.27Å; Y907-N909 PolarHBondContact O-N 3.22Å; N909-F913 PolarHBondContact O-N 3.33Å; N909-M929 HydrophobicContact CB-CE 3.93Å; N909-M929 HydrophobicContact CB-SD 3.62Å
910I93.2Very high90.2Very high0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-67.2-42.8175.2-67.7-174.3000111Y907 N908 F913 L914 M929 A930 L933 V950 T953Y907-I910 HydrophobicContact CD2-CB 4.41Å; Y907-I910 HydrophobicContact CD2-CG2 4.46Å; Y907-I910 HydrophobicContact CE2-CG2 4.42Å; Y907-I910 PolarHBondContact O-N 2.81Å; Y907-I910 VanDerWaalsContact O-N 3.12Å; N908-I910 PolarHBondContact O-N 2.81Å; I910-F913 PolarHBondContact O-N 3.1Å; I910-L914 HydrophobicContact CG2-CD1 4.34Å; I910-L914 WeakPolarHBondContact O-CG 3.48Å; I910-L914 PolarHBondContact O-N 3.43Å; I910-M929 HydrophobicContact CD1-CB 4.31Å; I910-M929 HydrophobicContact CG1-CB 4.35Å; I910-A930 HydrophobicContact CD1-CB 4.01Å; I910-L933 HydrophobicContact CD1-CD1 3.64Å; I910-V950 HydrophobicContact CD1-CG1 4.45Å; I910-V950 HydrophobicContact CD1-CG2 4.45Å; I910-T953 HydrophobicContact CG2-CG2 3.71Å
911Y92.9Very high90Very high64 Ų6447.2 Ų47.225%0.25124%0.241SC..Hα-helixtrans-62.5-47.3178179.5-97.8000111.2S857 F859 Y907 N908 F913 L914 H915S857-Y911 WeakPolarHBondContact CB-OH 3.44Å; F859-Y911 HydrophobicContact CD2-CD1 4.09Å; F859-Y911 HydrophobicContact CD2-CD2 4.35Å; F859-Y911 AromaticContact CD2-CG 3.85Å; F859-Y911 HydrophobicContact CD2-CG 3.85Å; F859-Y911 HydrophobicContact CE2-CD1 4.03Å; F859-Y911 AromaticContact CE2-CD2 3.6Å; F859-Y911 HydrophobicContact CE2-CD2 3.6Å; F859-Y911 HydrophobicContact CE2-CE1 4.45Å; F859-Y911 HydrophobicContact CE2-CE2 4.04Å; F859-Y911 AromaticContact CE2-CG 3.57Å; F859-Y911 HydrophobicContact CE2-CG 3.57Å; Y907-Y911 WeakPolarHBondContact O-CB 3.43Å; Y907-Y911 PolarHBondContact O-N 2.82Å; N908-Y911 PolarHBondContact O-N 3Å; Y911-F913 VanDerWaalsContact C-N 3.34Å; Y911-F913 PolarHBondContact O-N 2.92Å; Y911-L914 PolarHBondContact O-N 3.12Å; Y911-L914 VanDerWaalsContact O-N 3.12Å; Y911-H915 AromaticContact CD2-CD2 3.57Å; Y911-H915 AromaticContact CD2-NE2 3.87Å; Y911-H915 AromaticContact CE2-CD2 3.28Å; Y911-H915 WeakPolarHBondContact CE2-CD2 3.44Å; Y911-H915 AromaticContact CE2-NE2 3.33Å; Y911-H915 VanDerWaalsContact CE2-NE2 3.33Å; Y911-H915 WeakPolarHBondContact CE2-NE2 3.41Å; Y911-H915 AromaticContact CZ-CD2 3.55Å; Y911-H915 AromaticContact CZ-NE2 3.86Å; Y911-H915 PolarHBondContact O-CD2 3.2Å; Y911-H915 PolarHBondContact O-N 2.98Å
912R91Very high89.9Confident97 Ų9753.1 Ų53.137%0.36627%0.27SS..Hα-helixtrans-58.1-44.6175.3-72-173.168.9-164.3-7.1111.8N908 L914 H915 E916N908-R912 WeakPolarHBondContact O-CG 3.4Å; N908-R912 PolarHBondContact O-N 3.35Å; R912-L914 VanDerWaalsContact C-N 3.25Å; R912-L914 PolarHBondContact O-N 3.42Å; R912-H915 PolarHBondContact O-N 2.83Å; R912-E916 IonicContact CZ-OE1 3.42Å; R912-E916 IonicContact CZ-OE2 2.81Å; R912-E916 IonicContact NE-OE1 2.67Å; R912-E916 PolarHBondContact NE-OE1 2.85Å; R912-E916 IonicContact NE-OE2 2.93Å; R912-E916 PolarHBondContact NE-OE2 3.13Å; R912-E916 IonicContact NH2-OE1 2.82Å; R912-E916 PolarHBondContact NH2-OE1 3.27Å; R912-E916 IonicContact NH2-OE2 3.7Å; R912-E916 PolarHBondContact NH2-OE2 3.28Å; R912-E916 WeakPolarHBondContact O-CA 3.24Å; R912-E916 WeakPolarHBondContact O-CB 3.19Å; R912-E916 PolarHBondContact O-N 3.08Å
913F90.9Very high89.7Confident30 Ų3054.3 Ų54.313%0.13228%0.279CS..Hα-helixtrans-56.7-36175.8165.6-101.9000114N909 I910 Y911 A919 Y926 T953 K956 H957N909-F913 PolarHBondContact O-N 3.33Å; I910-F913 PolarHBondContact O-N 3.1Å; Y911-F913 VanDerWaalsContact C-N 3.34Å; Y911-F913 PolarHBondContact O-N 2.92Å; F913-A919 HydrophobicContact CD2-CB 4.34Å; F913-Y926 HydrophobicContact CB-CD1 4.24Å; F913-Y926 HydrophobicContact CB-CE1 3.58Å; F913-Y926 HydrophobicContact CD2-CD2 4.47Å; F913-Y926 HydrophobicContact CD2-CE1 4.43Å; F913-Y926 HydrophobicContact CD2-CE2 4.03Å; F913-Y926 HydrophobicContact CG-CD1 4.44Å; F913-Y926 HydrophobicContact CG-CE1 4.12Å; F913-Y926 HydrophobicContact CG-CE2 4.5Å; F913-T953 HydrophobicContact CD1-CG2 3.55Å; F913-T953 HydrophobicContact CE1-CG2 3.69Å; F913-K956 HydrophobicContact CE1-CD 4.39Å; F913-K956 HydrophobicContact CZ-CD 4.1Å; F913-H957 AromaticContact CE1-NE2 3.85Å; F913-H957 AromaticContact CE2-NE2 3.73Å; F913-H957 AromaticContact CZ-NE2 3.41Å; F913-H957 WeakPolarHBondContact CZ-NE2 3.04Å
914L88.5Confident89.6Confident42 Ų4258.5 Ų58.522%0.2230%0.298CS..Hα-helixtrans-79.7-28-177.6-71.3175.8000113.7I910 Y911 R912 A949 Y952 T953 M983I910-L914 HydrophobicContact CG2-CD1 4.34Å; I910-L914 WeakPolarHBondContact O-CG 3.48Å; I910-L914 PolarHBondContact O-N 3.43Å; Y911-L914 PolarHBondContact O-N 3.12Å; Y911-L914 VanDerWaalsContact O-N 3.12Å; R912-L914 VanDerWaalsContact C-N 3.25Å; R912-L914 PolarHBondContact O-N 3.42Å; L914-A949 HydrophobicContact CD1-CB 3.56Å; L914-Y952 HydrophobicContact CD2-CD1 3.77Å; L914-Y952 HydrophobicContact CD2-CE1 3.71Å; L914-T953 HydrophobicContact CD1-CG2 4.28Å; L914-T953 HydrophobicContact CD2-CG2 3.97Å; L914-T953 HydrophobicContact CG-CG2 4.11Å; L914-M983 HydrophobicContact CB-CE 4.47Å; L914-M983 HydrophobicContact CD1-CE 3.93Å; L914-M983 HydrophobicContact CD2-CE 3.39Å; L914-M983 HydrophobicContact CG-CE 4.12Å
915H87.2Confident89.5Confident130 Ų13059.3 Ų59.360%0.60230%0.303SS*.Hα-helixtrans-106.7-26.4-173.4-74.1-79.6000113.6Y911 R912Y911-H915 AromaticContact CD2-CD2 3.57Å; Y911-H915 AromaticContact CD2-NE2 3.87Å; Y911-H915 AromaticContact CE2-CD2 3.28Å; Y911-H915 WeakPolarHBondContact CE2-CD2 3.44Å; Y911-H915 AromaticContact CE2-NE2 3.33Å; Y911-H915 VanDerWaalsContact CE2-NE2 3.33Å; Y911-H915 WeakPolarHBondContact CE2-NE2 3.41Å; Y911-H915 AromaticContact CZ-CD2 3.55Å; Y911-H915 AromaticContact CZ-NE2 3.86Å; Y911-H915 PolarHBondContact O-CD2 3.2Å; Y911-H915 PolarHBondContact O-N 2.98Å; R912-H915 PolarHBondContact O-N 2.83Å
916E86.7Confident89.5Confident81 Ų8158.3 Ų58.338%0.37930%0.299SS..SBendtrans-91.1147.3176.2-63.6-178.7-169.300111.4R912 F918R912-E916 IonicContact CZ-OE1 3.42Å; R912-E916 IonicContact CZ-OE2 2.81Å; R912-E916 IonicContact NE-OE1 2.67Å; R912-E916 PolarHBondContact NE-OE1 2.85Å; R912-E916 IonicContact NE-OE2 2.93Å; R912-E916 PolarHBondContact NE-OE2 3.13Å; R912-E916 IonicContact NH2-OE1 2.82Å; R912-E916 PolarHBondContact NH2-OE1 3.27Å; R912-E916 IonicContact NH2-OE2 3.7Å; R912-E916 PolarHBondContact NH2-OE2 3.28Å; R912-E916 WeakPolarHBondContact O-CA 3.24Å; R912-E916 WeakPolarHBondContact O-CB 3.19Å; R912-E916 PolarHBondContact O-N 3.08Å; E916-F918 VanDerWaalsContact C-N 3.27Å; E916-F918 PolarHBondContact O-N 3.19Å
917P79.8Confident89.5Confident114 Ų11458.4 Ų58.474%0.7430%0.299SS*.SBendtrans-73.6-13.7-17727.1-33.1000114.4
918F80.6Confident89.4Confident165 Ų16558.8 Ų58.872%0.72430%0.302SS*.SBendtrans-122.3136.6-175.4-56.2-69.4000111.2E916E916-F918 VanDerWaalsContact C-N 3.27Å; E916-F918 PolarHBondContact O-N 3.19Å
919A81.4Confident89.4Confident64 Ų6457.9 Ų57.953%0.52930%0.297SS..  trans-77127.1173.600000110.2F913 Y926F913-A919 HydrophobicContact CD2-CB 4.34Å; A919-Y926 HydrophobicContact CB-CE2 4.04Å
920S82.4Confident89.5Confident60 Ų6056.9 Ų56.942%0.4229%0.292SS..SBendtrans-83.7-20.6177.856.40000113.3Y926S920-Y926 PolarHBondContact N-OH 2.86Å; S920-Y926 PolarHBondContact OG-OH 3.03Å
921H89Confident89.5Confident54 Ų5457.5 Ų57.525%0.2529%0.294CS..SBendtrans-128.1168-177.5-58.4-71.1000113.1T925 Y926H921-T925 HydrophobicContact CB-CG2 3.84Å; H921-Y926 HydrophobicContact CB-CD2 4.29Å; H921-Y926 HydrophobicContact CB-CE2 3.85Å; H921-Y926 PolarHBondContact N-OH 3.35Å; H921-Y926 VanDerWaalsContact O-CE2 3.31Å; H921-Y926 WeakPolarHBondContact O-CE2 3.5Å
922M90.1Very high89.5Confident124 Ų12455.2 Ų55.261%0.61129%0.285SS*.  trans-70.7156.1175.4-62.5-67.1-8100111.2E924 T925 Y926M922-E924 VanDerWaalsContact C-N 3.27Å; M922-E924 WeakPolarHBondContact CB-OE2 2.85Å; M922-E924 PolarHBondContact O-N 2.55Å; M922-T925 VanDerWaalsContact O-CB 3.25Å; M922-T925 WeakPolarHBondContact O-CB 3.47Å; M922-T925 PolarHBondContact O-N 2.87Å; M922-T925 PolarHBondContact O-OG1 3.41Å; M922-Y926 PolarHBondContact O-N 2.82Å
923P90.6Very high89.7Confident43 Ų4350.6 Ų50.628%0.27927%0.268SS..Hα-helixtrans-56.2-37.4-179.6-25.434.9000114.1T925 Y926 F927 L961P923-T925 VanDerWaalsContact C-N 3.28Å; P923-T925 PolarHBondContact O-N 3.28Å; P923-Y926 PolarHBondContact O-N 3.15Å; P923-F927 WeakPolarHBondContact O-CB 3.49Å; P923-F927 PolarHBondContact O-N 3.3Å; P923-L961 HydrophobicContact CB-CD2 4.47Å
924E91.9Very high89.7Confident87 Ų8750.1 Ų50.141%0.40727%0.266SS..Hα-helixtrans-61.8-39177.1-60.379.9-172.400111.1M922 F927 N928 L961M922-E924 VanDerWaalsContact C-N 3.27Å; M922-E924 WeakPolarHBondContact CB-OE2 2.85Å; M922-E924 PolarHBondContact O-N 2.55Å; E924-F927 WeakPolarHBondContact O-CB 3.39Å; E924-F927 PolarHBondContact O-N 3.06Å; E924-N928 WeakPolarHBondContact O-CB 3.43Å; E924-N928 PolarHBondContact O-N 3.01Å; E924-N928 PolarHBondContact O-ND2 3.21Å; E924-L961 HydrophobicContact CG-CD2 3.96Å
925T92.9Very high89.9Confident17 Ų1748.3 Ų48.310%0.10426%0.257CS..Hα-helixtrans-64.3-49179.7-37.70000111H921 M922 P923 F927 N928 M929 N1039H921-T925 HydrophobicContact CB-CG2 3.84Å; M922-T925 VanDerWaalsContact O-CB 3.25Å; M922-T925 WeakPolarHBondContact O-CB 3.47Å; M922-T925 PolarHBondContact O-N 2.87Å; M922-T925 PolarHBondContact O-OG1 3.41Å; P923-T925 VanDerWaalsContact C-N 3.28Å; P923-T925 PolarHBondContact O-N 3.28Å; T925-F927 VanDerWaalsContact C-N 3.31Å; T925-F927 PolarHBondContact O-N 2.89Å; T925-N928 PolarHBondContact O-N 2.86Å; T925-M929 HydrophobicContact CG2-CE 3.71Å; T925-M929 HydrophobicContact CG2-SD 4.5Å; T925-M929 WeakPolarHBondContact O-CB 3.28Å; T925-M929 VanDerWaalsContact O-CG 3.23Å; T925-M929 WeakPolarHBondContact O-CG 3.46Å; T925-M929 PolarHBondContact O-N 2.95Å; T925-N1039 HydrophobicContact CG2-CB 3.99Å
926Y95Very high90.1Very high1 Ų143.1 Ų43.10%0.00423%0.233CC..Hα-helixtrans-64.9-36.2176.5-72.6-63.9000112.5F913 A919 S920 H921 M922 P923 M929 A930 H957F913-Y926 HydrophobicContact CB-CD1 4.24Å; F913-Y926 HydrophobicContact CB-CE1 3.58Å; F913-Y926 HydrophobicContact CD2-CD2 4.47Å; F913-Y926 HydrophobicContact CD2-CE1 4.43Å; F913-Y926 HydrophobicContact CD2-CE2 4.03Å; F913-Y926 HydrophobicContact CG-CD1 4.44Å; F913-Y926 HydrophobicContact CG-CE1 4.12Å; F913-Y926 HydrophobicContact CG-CE2 4.5Å; A919-Y926 HydrophobicContact CB-CE2 4.04Å; S920-Y926 PolarHBondContact N-OH 2.86Å; S920-Y926 PolarHBondContact OG-OH 3.03Å; H921-Y926 HydrophobicContact CB-CD2 4.29Å; H921-Y926 HydrophobicContact CB-CE2 3.85Å; H921-Y926 PolarHBondContact N-OH 3.35Å; H921-Y926 VanDerWaalsContact O-CE2 3.31Å; H921-Y926 WeakPolarHBondContact O-CE2 3.5Å; M922-Y926 PolarHBondContact O-N 2.82Å; P923-Y926 PolarHBondContact O-N 3.15Å; Y926-M929 HydrophobicContact CD1-SD 4.09Å; Y926-M929 HydrophobicContact CE1-SD 4.47Å; Y926-M929 PolarHBondContact O-N 2.88Å; Y926-A930 WeakPolarHBondContact O-CB 3.39Å; Y926-A930 PolarHBondContact O-N 2.94Å; Y926-H957 VanDerWaalsContact CB-CD2 3.46Å; Y926-H957 WeakPolarHBondContact CB-CD2 3.47Å; Y926-H957 AromaticContact CD2-NE2 3.81Å; Y926-H957 AromaticContact CG-NE2 3.85Å
927F93.8Very high90.2Very high4 Ų439.6 Ų39.62%0.01822%0.217CC..Hα-helixtrans-61.5-45.9174.1-179.5-97.9000111.5P923 E924 T925 A930 R931 L954 H957 L961 A963 L966 L1018P923-F927 WeakPolarHBondContact O-CB 3.49Å; P923-F927 PolarHBondContact O-N 3.3Å; E924-F927 WeakPolarHBondContact O-CB 3.39Å; E924-F927 PolarHBondContact O-N 3.06Å; T925-F927 VanDerWaalsContact C-N 3.31Å; T925-F927 PolarHBondContact O-N 2.89Å; F927-A930 PolarHBondContact O-N 2.89Å; F927-R931 WeakPolarHBondContact O-CB 3.37Å; F927-R931 PolarHBondContact O-N 2.93Å; F927-L954 HydrophobicContact CD2-CD1 3.8Å; F927-L954 HydrophobicContact CE2-CD1 3.77Å; F927-L954 HydrophobicContact CG-CD1 4.47Å; F927-L954 HydrophobicContact CZ-CD1 4.42Å; F927-H957 HydrophobicContact CB-CB 4.15Å; F927-L961 HydrophobicContact CB-CD1 3.66Å; F927-L961 HydrophobicContact CD1-CD1 4.26Å; F927-L961 HydrophobicContact CD2-CD1 4.21Å; F927-L961 HydrophobicContact CG-CD1 3.8Å; F927-A963 HydrophobicContact CE2-CB 4.4Å; F927-L966 HydrophobicContact CE2-CD2 3.92Å; F927-L966 HydrophobicContact CZ-CD2 4.32Å; F927-L1018 HydrophobicContact CE1-CD2 4.33Å; F927-L1018 HydrophobicContact CZ-CD1 4.44Å; F927-L1018 HydrophobicContact CZ-CD2 4.22Å
928N93.1Very high90.5Very high16 Ų1639.1 Ų39.19%0.08621%0.205CC..Hα-helixtrans-65.7-43.3176.7-74.9-25.8000112.5E924 T925 A930 R931 Y932 N1039 L1040E924-N928 WeakPolarHBondContact O-CB 3.43Å; E924-N928 PolarHBondContact O-N 3.01Å; E924-N928 PolarHBondContact O-ND2 3.21Å; T925-N928 PolarHBondContact O-N 2.86Å; N928-A930 PolarHBondContact O-N 3.31Å; N928-R931 PolarHBondContact O-N 2.98Å; N928-R931 PolarHBondContact OD1-NH2 3.39Å; N928-Y932 WeakPolarHBondContact O-CB 3.32Å; N928-Y932 PolarHBondContact O-N 3.32Å; N928-N1039 WeakPolarHBondContact CB-O 3.47Å; N928-L1040 HydrophobicContact CB-CB 4.05Å
929M94.6Very high90.7Very high2 Ų236.9 Ų36.91%0.0120%0.195CC..Hα-helixtrans-56-50.6173.8-71.3172.8177.300112V906 N909 I910 T925 Y926 R931 Y932 L933 I1038 L1040V906-M929 HydrophobicContact CG1-CB 3.79Å; V906-M929 HydrophobicContact CG1-CG 4Å; N909-M929 HydrophobicContact CB-CE 3.93Å; N909-M929 HydrophobicContact CB-SD 3.62Å; I910-M929 HydrophobicContact CD1-CB 4.31Å; I910-M929 HydrophobicContact CG1-CB 4.35Å; T925-M929 HydrophobicContact CG2-CE 3.71Å; T925-M929 HydrophobicContact CG2-SD 4.5Å; T925-M929 WeakPolarHBondContact O-CB 3.28Å; T925-M929 VanDerWaalsContact O-CG 3.23Å; T925-M929 WeakPolarHBondContact O-CG 3.46Å; T925-M929 PolarHBondContact O-N 2.95Å; Y926-M929 HydrophobicContact CD1-SD 4.09Å; Y926-M929 HydrophobicContact CE1-SD 4.47Å; Y926-M929 PolarHBondContact O-N 2.88Å; M929-R931 PolarHBondContact O-N 2.93Å; M929-Y932 PolarHBondContact O-N 3.42Å; M929-L933 WeakPolarHBondContact O-CG 3.36Å; M929-L933 PolarHBondContact O-N 2.84Å; M929-L933 VanDerWaalsContact O-N 3.1Å; M929-I1038 WeakPolarHBondContact CE-O 3.31Å; M929-L1040 HydrophobicContact CB-CD1 4.1Å; M929-L1040 HydrophobicContact CG-CD1 3.74Å
930A94.4Very high90.8Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-66.4-38.7-178.900000111.8I910 Y926 F927 N928 L933 I934 V950 L954I910-A930 HydrophobicContact CD1-CB 4.01Å; Y926-A930 WeakPolarHBondContact O-CB 3.39Å; Y926-A930 PolarHBondContact O-N 2.94Å; F927-A930 PolarHBondContact O-N 2.89Å; N928-A930 PolarHBondContact O-N 3.31Å; A930-L933 PolarHBondContact O-N 2.94Å; A930-I934 WeakPolarHBondContact O-CB 3.32Å; A930-I934 PolarHBondContact O-N 2.85Å; A930-V950 HydrophobicContact CB-CG1 4.11Å; A930-V950 WeakPolarHBondContact O-CG1 3.22Å; A930-L954 HydrophobicContact CB-CB 3.79Å; A930-L954 HydrophobicContact CB-CD1 4.01Å; A930-L954 HydrophobicContact CB-CG 4.46Å
931R92.8Very high90.9Very high12 Ų1238 Ų385%0.04520%0.195CC..Hα-helixtrans-65.2-44.8176.3-171.5177.466.5-179.1-3.9111.9F927 N928 M929 L933 I934 H935 L954 T1007 L1018F927-R931 WeakPolarHBondContact O-CB 3.37Å; F927-R931 PolarHBondContact O-N 2.93Å; N928-R931 PolarHBondContact O-N 2.98Å; N928-R931 PolarHBondContact OD1-NH2 3.39Å; M929-R931 PolarHBondContact O-N 2.93Å; R931-L933 VanDerWaalsContact C-N 3.34Å; R931-L933 PolarHBondContact O-N 2.78Å; R931-I934 PolarHBondContact O-N 2.93Å; R931-H935 PolarHBondContact O-N 2.77Å; R931-H935 VanDerWaalsContact O-N 3.16Å; R931-L954 HydrophobicContact CB-CD1 4.06Å; R931-T1007 VanDerWaalsContact CZ-CG2 3.49Å; R931-T1007 VanDerWaalsContact NH1-CG2 3.31Å; R931-T1007 PolarHBondContact NH1-OG1 3.02Å; R931-L1018 WeakPolarHBondContact CD-O 3.46Å
932Y93.6Very high90.9Very high17 Ų1736 Ų367%0.06719%0.186CC..Hα-helixtrans-57.4-47.1176.7173.9-98.1000111.7V906 N928 M929 I936 N1024 Y1035 L1040V906-Y932 HydrophobicContact CG1-CD1 4.3Å; V906-Y932 HydrophobicContact CG2-CD1 4.09Å; V906-Y932 HydrophobicContact CG2-CE1 4Å; N928-Y932 WeakPolarHBondContact O-CB 3.32Å; N928-Y932 PolarHBondContact O-N 3.32Å; M929-Y932 PolarHBondContact O-N 3.42Å; Y932-I936 HydrophobicContact CD1-CD1 3.97Å; Y932-I936 HydrophobicContact CD2-CD1 4.47Å; Y932-I936 HydrophobicContact CE1-CD1 3.35Å; Y932-I936 HydrophobicContact CE2-CD1 3.92Å; Y932-I936 HydrophobicContact CG-CD1 4.49Å; Y932-I936 WeakPolarHBondContact O-CG1 3.31Å; Y932-I936 PolarHBondContact O-N 2.76Å; Y932-I936 WeakPolarHBondContact OH-CD1 3.27Å; Y932-N1024 VanDerWaalsContact CD2-ND2 3.25Å; Y932-N1024 WeakPolarHBondContact CD2-ND2 3.35Å; Y932-N1024 WeakPolarHBondContact CE2-ND2 3.46Å; Y932-N1024 PolarHBondContact O-ND2 3.29Å; Y932-Y1035 AromaticContact CD2-CD2 3.65Å; Y932-Y1035 HydrophobicContact CD2-CD2 3.65Å; Y932-Y1035 AromaticContact CD2-CE2 3.57Å; Y932-Y1035 HydrophobicContact CD2-CE2 3.57Å; Y932-Y1035 HydrophobicContact CD2-CG 4.29Å; Y932-Y1035 AromaticContact CE2-CD2 3.65Å; Y932-Y1035 HydrophobicContact CE2-CD2 3.65Å; Y932-Y1035 AromaticContact CE2-CE2 3.83Å; Y932-Y1035 HydrophobicContact CE2-CE2 3.83Å; Y932-L1040 HydrophobicContact CD1-CD1 4.02Å; Y932-L1040 HydrophobicContact CD1-CD2 4.33Å; Y932-L1040 HydrophobicContact CD2-CD2 4.13Å; Y932-L1040 HydrophobicContact CE2-CD2 4.39Å; Y932-L1040 HydrophobicContact CG-CD1 4.04Å; Y932-L1040 HydrophobicContact CG-CD2 4.09Å
933L94.4Very high90.6Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-65.9-43.2179.1-75.2178.4000112.5V903 V906 Y907 I910 M929 A930 R931 H935 I936 L937 V950V903-L933 HydrophobicContact CB-CD2 4.05Å; V903-L933 HydrophobicContact CG1-CD2 3.79Å; V903-L933 HydrophobicContact CG2-CD2 3.89Å; V906-L933 HydrophobicContact CB-CD1 4.37Å; V906-L933 HydrophobicContact CB-CD2 4.1Å; V906-L933 HydrophobicContact CB-CG 4.22Å; V906-L933 HydrophobicContact CG1-CD1 3.87Å; V906-L933 HydrophobicContact CG1-CD2 4.2Å; V906-L933 HydrophobicContact CG1-CG 3.76Å; Y907-L933 HydrophobicContact CD2-CD1 4.15Å; I910-L933 HydrophobicContact CD1-CD1 3.64Å; M929-L933 WeakPolarHBondContact O-CG 3.36Å; M929-L933 PolarHBondContact O-N 2.84Å; M929-L933 VanDerWaalsContact O-N 3.1Å; A930-L933 PolarHBondContact O-N 2.94Å; R931-L933 VanDerWaalsContact C-N 3.34Å; R931-L933 PolarHBondContact O-N 2.78Å; L933-H935 VanDerWaalsContact C-N 3.25Å; L933-H935 PolarHBondContact O-N 2.72Å; L933-I936 PolarHBondContact O-N 3.4Å; L933-I936 VanDerWaalsContact O-N 3.1Å; L933-L937 HydrophobicContact CB-CD1 4.48Å; L933-L937 WeakPolarHBondContact O-CB 3.38Å; L933-L937 VanDerWaalsContact O-CG 3.24Å; L933-L937 WeakPolarHBondContact O-CG 3.49Å; L933-L937 PolarHBondContact O-N 3.39Å; L933-V950 HydrophobicContact CB-CG1 3.87Å; L933-V950 HydrophobicContact CB-CG2 4.46Å; L933-V950 HydrophobicContact CD1-CG1 4.49Å; L933-V950 HydrophobicContact CD1-CG2 4.08Å
934I92Very high90.5Very high19 Ų1934.7 Ų34.710%0.09718%0.18CC..Hα-helixtrans-64.6-33.8-177.4-136.476.1000112A930 R931 Q938 V950 L951 L954 L1019A930-I934 WeakPolarHBondContact O-CB 3.32Å; A930-I934 PolarHBondContact O-N 2.85Å; R931-I934 PolarHBondContact O-N 2.93Å; I934-Q938 PolarHBondContact O-N 3.46Å; I934-V950 HydrophobicContact CB-CG1 4.41Å; I934-V950 HydrophobicContact CD1-CB 3.91Å; I934-V950 HydrophobicContact CD1-CG1 3.49Å; I934-V950 VanDerWaalsContact CD1-CG1 3.49Å; I934-L951 HydrophobicContact CD1-CD2 3.53Å; I934-L951 HydrophobicContact CD1-CG 3.68Å; I934-L951 HydrophobicContact CG1-CD2 3.77Å; I934-L951 HydrophobicContact CG1-CG 4.45Å; I934-L954 HydrophobicContact CG2-CD2 4.38Å; I934-L1019 HydrophobicContact CG2-CD2 3.28Å
935H91.7Very high90.4Very high5 Ų531.1 Ų31.12%0.02316%0.164CC..Hα-helixtrans-68.4-34.8174-76.5164.8000112.7R931 L933 F939 N1020 N1024R931-H935 PolarHBondContact O-N 2.77Å; R931-H935 VanDerWaalsContact O-N 3.16Å; L933-H935 VanDerWaalsContact C-N 3.25Å; L933-H935 PolarHBondContact O-N 2.72Å; H935-F939 WeakPolarHBondContact O-CD2 3.44Å; H935-F939 WeakPolarHBondContact O-CE2 3.27Å; H935-N1020 PolarHBondContact NE2-N 3.33Å; H935-N1024 WeakPolarHBondContact CB-OD1 3.28Å; H935-N1024 PolarHBondContact ND1-OD1 3.4Å
936I90.9Very high90.3Very high21 Ų2132.7 Ų32.711%0.10818%0.176CC..Hα-helixtrans-74.6-42.3175.8-66.4174.5000111.1R899 V903 Y932 L933 Q938 F939R899-I936 HydrophobicContact CG-CG2 4.17Å; R899-I936 PolarHBondContact NH2-O 3Å; V903-I936 HydrophobicContact CG2-CB 4.36Å; V903-I936 HydrophobicContact CG2-CD1 4.11Å; V903-I936 HydrophobicContact CG2-CG2 3.75Å; Y932-I936 HydrophobicContact CD1-CD1 3.97Å; Y932-I936 HydrophobicContact CD2-CD1 4.47Å; Y932-I936 HydrophobicContact CE1-CD1 3.35Å; Y932-I936 HydrophobicContact CE2-CD1 3.92Å; Y932-I936 HydrophobicContact CG-CD1 4.49Å; Y932-I936 WeakPolarHBondContact O-CG1 3.31Å; Y932-I936 PolarHBondContact O-N 2.76Å; Y932-I936 WeakPolarHBondContact OH-CD1 3.27Å; L933-I936 PolarHBondContact O-N 3.4Å; L933-I936 VanDerWaalsContact O-N 3.1Å; I936-Q938 PolarHBondContact O-N 3.43Å; I936-Q938 VanDerWaalsContact O-N 3.16Å; I936-F939 PolarHBondContact O-N 2.77Å; I936-F939 VanDerWaalsContact O-N 3.11Å
937L89.6Confident90Very high6 Ų636 Ų363%0.03119%0.191CC..Hα-helixtrans-67.6-10.9-179.6-68.8168.8000112.9L933 F939 I942 V945 K947 V950L933-L937 HydrophobicContact CB-CD1 4.48Å; L933-L937 WeakPolarHBondContact O-CB 3.38Å; L933-L937 VanDerWaalsContact O-CG 3.24Å; L933-L937 WeakPolarHBondContact O-CG 3.49Å; L933-L937 PolarHBondContact O-N 3.39Å; L937-F939 VanDerWaalsContact C-N 3.3Å; L937-I942 HydrophobicContact CD2-CB 4.29Å; L937-V945 HydrophobicContact CD1-CG1 4Å; L937-V945 HydrophobicContact CD2-CG1 4.34Å; L937-K947 HydrophobicContact CD1-CG 4.21Å; L937-V950 HydrophobicContact CD1-CG2 4.38Å
938Q86Confident89.8Confident105 Ų10536.3 Ų36.349%0.49119%0.194SC..THydrogen-bonded Turntrans-70.7-26.6172.1-171.3168.2-6.600112.8I934 I936 N1020I934-Q938 PolarHBondContact O-N 3.46Å; I936-Q938 PolarHBondContact O-N 3.43Å; I936-Q938 VanDerWaalsContact O-N 3.16Å; Q938-N1020 PolarHBondContact OE1-O 3.48Å
939F84.7Confident89.7Confident117 Ų11736 Ų3651%0.51319%0.193SC..THydrogen-bonded Turntrans-101.828.2-178.2-57.1-71.7000113R899 H935 I936 L937R899-F939 PolarHBondContact NH1-O 3.13Å; R899-F939 PolarHBondContact NH2-O 3.48Å; H935-F939 WeakPolarHBondContact O-CD2 3.44Å; H935-F939 WeakPolarHBondContact O-CE2 3.27Å; I936-F939 PolarHBondContact O-N 2.77Å; I936-F939 VanDerWaalsContact O-N 3.11Å; L937-F939 VanDerWaalsContact C-N 3.3Å
940G83.6Confident89.7Confident33 Ų3335.9 Ų35.934%0.3419%0.193SC..  trans126.3143.6-179.400000112.3R899R899-G940 PolarHBondContact NH2-O 2.92Å
941D85.3Confident89.6Confident114 Ų11436.4 Ų36.461%0.6120%0.195SC*.  trans-86.3139.6-174.3-66.68.9000109.3K947D941-K947 WeakPolarHBondContact OD1-CE 3.47Å; D941-K947 IonicContact OD1-NZ 3.19Å; D941-K947 PolarHBondContact OD1-NZ 3.16Å; D941-K947 IonicContact OD2-NZ 2.79Å; D941-K947 PolarHBondContact OD2-NZ 2.81Å
942I88.1Confident89.6Confident13 Ų1336.2 Ų36.27%0.06720%0.195CC..  trans-105.2131174.1-67.7165.7000106.5V903 Y904 L937 V945V903-I942 HydrophobicContact CB-CD1 3.6Å; V903-I942 HydrophobicContact CG1-CB 4.35Å; V903-I942 HydrophobicContact CG1-CD1 3.57Å; V903-I942 HydrophobicContact CG1-CG2 4.19Å; V903-I942 HydrophobicContact CG2-CD1 3.46Å; V903-I942 VanDerWaalsContact CG2-CD1 3.46Å; Y904-I942 HydrophobicContact CE1-CG2 4.26Å; Y904-I942 HydrophobicContact CE2-CG2 4.02Å; L937-I942 HydrophobicContact CD2-CB 4.29Å; I942-V945 HydrophobicContact CB-CG2 4.28Å; I942-V945 HydrophobicContact CG2-CG2 3.91Å
943P83.1Confident89.5Confident62 Ų6235.4 Ų35.440%0.40319%0.192SC..THydrogen-bonded Turntrans-65.7152-173.832-37.6000110.2Y904 V945Y904-P943 PolarHBondContact OH-O 3.34Å; P943-V945 PolarHBondContact O-N 3Å
944E88.7Confident89.5Confident77 Ų7735.5 Ų35.536%0.3619%0.192SC..THydrogen-bonded Turntrans65.8-9.7-178-61.969.6-143.700116.7A854 K855 F859 S946A854-E944 HydrophobicContact CB-CB 4.32Å; A854-E944 HydrophobicContact CB-CG 4.4Å; K855-E944 HydrophobicContact CB-CG 4.39Å; K855-E944 HydrophobicContact CG-CG 3.77Å; K855-E944 WeakPolarHBondContact CG-OE1 2.83Å; F859-E944 HydrophobicContact CE1-CB 4.35Å; E944-S946 PolarHBondContact O-N 2.79Å
945V90.6Very high89.5Confident13 Ų1334.6 Ų34.68%0.07919%0.187CC..  trans-82.8112.5174179.70000110V903 Y904 Y907 L937 I942 P943 K947 V950V903-V945 HydrophobicContact CG1-CG2 3.83Å; Y904-V945 HydrophobicContact CD1-CG2 4.1Å; Y904-V945 HydrophobicContact CE1-CG2 3.79Å; Y907-V945 HydrophobicContact CD1-CG1 4.42Å; Y907-V945 HydrophobicContact CD1-CG2 4.18Å; Y907-V945 HydrophobicContact CD2-CG1 3.72Å; Y907-V945 HydrophobicContact CE2-CG1 3.89Å; Y907-V945 HydrophobicContact CG-CG1 3.99Å; Y907-V945 HydrophobicContact CG-CG2 4.29Å; L937-V945 HydrophobicContact CD1-CG1 4Å; L937-V945 HydrophobicContact CD2-CG1 4.34Å; I942-V945 HydrophobicContact CB-CG2 4.28Å; I942-V945 HydrophobicContact CG2-CG2 3.91Å; P943-V945 PolarHBondContact O-N 3Å; V945-K947 PolarHBondContact O-N 2.94Å; V945-V950 HydrophobicContact CG1-CG2 4.35Å
946S89.8Confident89.5Confident49 Ų4937.9 Ų37.934%0.34320%0.202SC..  trans-76.8107.1179.9176.80000111.3Y907 E944 A948 A949 V950Y907-S946 VanDerWaalsContact OH-CB 3.3Å; Y907-S946 WeakPolarHBondContact OH-CB 3.25Å; Y907-S946 PolarHBondContact OH-N 3.18Å; Y907-S946 VanDerWaalsContact OH-N 3.07Å; E944-S946 PolarHBondContact O-N 2.79Å; S946-A948 PolarHBondContact O-N 2.89Å; S946-A948 PolarHBondContact OG-N 2.82Å; S946-A949 WeakPolarHBondContact O-CB 3.33Å; S946-A949 PolarHBondContact O-N 2.77Å; S946-A949 PolarHBondContact OG-N 3.49Å; S946-A949 VanDerWaalsContact OG-N 3.13Å; S946-V950 WeakPolarHBondContact O-CG2 3.47Å; S946-V950 PolarHBondContact O-N 3.01Å; S946-V950 VanDerWaalsContact O-N 3.08Å
947K89.9Confident89.5Confident72 Ų7237.7 Ų37.731%0.31320%0.2SC..Hα-helixtrans-53.9-35.4169.2-79178.9176.8170.40112.3L937 D941 V945 V950 L951L937-K947 HydrophobicContact CD1-CG 4.21Å; D941-K947 WeakPolarHBondContact OD1-CE 3.47Å; D941-K947 IonicContact OD1-NZ 3.19Å; D941-K947 PolarHBondContact OD1-NZ 3.16Å; D941-K947 IonicContact OD2-NZ 2.79Å; D941-K947 PolarHBondContact OD2-NZ 2.81Å; V945-K947 PolarHBondContact O-N 2.94Å; K947-V950 PolarHBondContact O-N 3.37Å; K947-L951 WeakPolarHBondContact O-CB 3.49Å; K947-L951 VanDerWaalsContact O-CG 3.28Å; K947-L951 WeakPolarHBondContact O-CG 3.5Å; K947-L951 PolarHBondContact O-N 2.84Å
948A89.4Confident89.6Confident10 Ų1037.4 Ų37.48%0.08320%0.199CC..Hα-helixtrans-65.9-41.6177.300000111.6S946 L951 Y952 L974 L977 M979S946-A948 PolarHBondContact O-N 2.89Å; S946-A948 PolarHBondContact OG-N 2.82Å; A948-L951 PolarHBondContact O-N 3.4Å; A948-Y952 WeakPolarHBondContact O-CB 3.35Å; A948-Y952 PolarHBondContact O-N 3.05Å; A948-L974 HydrophobicContact CB-CD2 4.33Å; A948-L974 WeakPolarHBondContact O-CD2 3.47Å; A948-L977 HydrophobicContact CB-CB 4.31Å; A948-L977 HydrophobicContact CB-CD1 4.25Å; A948-M979 HydrophobicContact CB-CG 4.03Å; A948-M979 HydrophobicContact CB-SD 4.4Å
949A90.9Very high89.7Confident9 Ų937.2 Ų37.27%0.07419%0.194CC..Hα-helixtrans-63.4-43.4175.800000112Y907 L914 S946 Y952 T953Y907-A949 HydrophobicContact CE2-CB 4.32Å; L914-A949 HydrophobicContact CD1-CB 3.56Å; S946-A949 WeakPolarHBondContact O-CB 3.33Å; S946-A949 PolarHBondContact O-N 2.77Å; S946-A949 PolarHBondContact OG-N 3.49Å; S946-A949 VanDerWaalsContact OG-N 3.13Å; A949-Y952 PolarHBondContact O-N 3.17Å; A949-T953 WeakPolarHBondContact O-CG2 3.48Å; A949-T953 PolarHBondContact O-N 3.24Å; A949-T953 PolarHBondContact O-OG1 2.56Å
950V93.5Very high89.8Confident0 Ų036.6 Ų36.60%020%0.199CC..Hα-helixtrans-65.5-44.8177.5-175.90000111.1Y907 I910 A930 L933 I934 L937 V945 S946 K947 T953 L954Y907-V950 HydrophobicContact CD2-CG2 3.93Å; Y907-V950 HydrophobicContact CE2-CG2 3.91Å; I910-V950 HydrophobicContact CD1-CG1 4.45Å; I910-V950 HydrophobicContact CD1-CG2 4.45Å; A930-V950 HydrophobicContact CB-CG1 4.11Å; A930-V950 WeakPolarHBondContact O-CG1 3.22Å; L933-V950 HydrophobicContact CB-CG1 3.87Å; L933-V950 HydrophobicContact CB-CG2 4.46Å; L933-V950 HydrophobicContact CD1-CG1 4.49Å; L933-V950 HydrophobicContact CD1-CG2 4.08Å; I934-V950 HydrophobicContact CB-CG1 4.41Å; I934-V950 HydrophobicContact CD1-CB 3.91Å; I934-V950 HydrophobicContact CD1-CG1 3.49Å; I934-V950 VanDerWaalsContact CD1-CG1 3.49Å; L937-V950 HydrophobicContact CD1-CG2 4.38Å; V945-V950 HydrophobicContact CG1-CG2 4.35Å; S946-V950 WeakPolarHBondContact O-CG2 3.47Å; S946-V950 PolarHBondContact O-N 3.01Å; S946-V950 VanDerWaalsContact O-N 3.08Å; K947-V950 PolarHBondContact O-N 3.37Å; V950-T953 WeakPolarHBondContact CA-OG1 3.41Å; V950-T953 PolarHBondContact O-OG1 2.79Å; V950-L954 WeakPolarHBondContact O-CB 3.27Å; V950-L954 PolarHBondContact O-N 2.89Å
951L92.5Very high90.1Very high11 Ų1136.6 Ų36.66%0.05819%0.191CC..Hα-helixtrans-66.5-39.6177.1-74.1172.5000112.2I934 K947 A948 L954 A955 I970 R973 L974 L977I934-L951 HydrophobicContact CD1-CD2 3.53Å; I934-L951 HydrophobicContact CD1-CG 3.68Å; I934-L951 HydrophobicContact CG1-CD2 3.77Å; I934-L951 HydrophobicContact CG1-CG 4.45Å; K947-L951 WeakPolarHBondContact O-CB 3.49Å; K947-L951 VanDerWaalsContact O-CG 3.28Å; K947-L951 WeakPolarHBondContact O-CG 3.5Å; K947-L951 PolarHBondContact O-N 2.84Å; A948-L951 PolarHBondContact O-N 3.4Å; L951-L954 PolarHBondContact O-N 2.87Å; L951-A955 WeakPolarHBondContact O-CB 3.31Å; L951-A955 PolarHBondContact O-N 2.81Å; L951-I970 HydrophobicContact CB-CG2 3.72Å; L951-I970 HydrophobicContact CD2-CG1 4.36Å; L951-I970 HydrophobicContact CD2-CG2 3.79Å; L951-I970 HydrophobicContact CG-CG2 4.28Å; L951-I970 VanDerWaalsContact O-CG2 3.25Å; L951-I970 WeakPolarHBondContact O-CG2 3.48Å; L951-R973 HydrophobicContact CD1-CB 4.47Å; L951-L974 HydrophobicContact CB-CD1 4.27Å; L951-L974 HydrophobicContact CB-CD2 3.7Å; L951-L974 HydrophobicContact CB-CG 3.9Å; L951-L977 HydrophobicContact CD1-CD1 3.68Å
952Y92.5Very high90.2Very high8 Ų831.7 Ų31.73%0.03117%0.168CC..Hα-helixtrans-63.9-44.9177.6171.9-88.5000111.4L914 A948 A949 A955 K956 M983 E986 V987L914-Y952 HydrophobicContact CD2-CD1 3.77Å; L914-Y952 HydrophobicContact CD2-CE1 3.71Å; A948-Y952 WeakPolarHBondContact O-CB 3.35Å; A948-Y952 PolarHBondContact O-N 3.05Å; A949-Y952 PolarHBondContact O-N 3.17Å; Y952-A955 PolarHBondContact O-N 3.18Å; Y952-K956 HydrophobicContact CE1-CD 3.82Å; Y952-K956 VanDerWaalsContact O-CB 3.31Å; Y952-K956 WeakPolarHBondContact O-CB 3.45Å; Y952-K956 PolarHBondContact O-N 2.67Å; Y952-K956 PolarHBondContact OH-NZ 2.9Å; Y952-M983 HydrophobicContact CD1-CE 3.83Å; Y952-M983 HydrophobicContact CD1-SD 4.23Å; Y952-M983 HydrophobicContact CD2-CG 4.27Å; Y952-M983 HydrophobicContact CD2-SD 4.28Å; Y952-M983 HydrophobicContact CE1-CE 3.91Å; Y952-M983 HydrophobicContact CE2-CG 4.06Å; Y952-M983 HydrophobicContact CG-CE 4.31Å; Y952-M983 HydrophobicContact CG-SD 4.11Å; Y952-E986 PolarHBondContact OH-OE2 2.97Å; Y952-V987 HydrophobicContact CD2-CG2 3.79Å; Y952-V987 HydrophobicContact CE2-CG2 4.15Å
953T92.7Very high90.2Very high0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-63.5-42.1175.646.10000112.2I910 F913 L914 A949 V950 A955 K956 H957I910-T953 HydrophobicContact CG2-CG2 3.71Å; F913-T953 HydrophobicContact CD1-CG2 3.55Å; F913-T953 HydrophobicContact CE1-CG2 3.69Å; L914-T953 HydrophobicContact CD1-CG2 4.28Å; L914-T953 HydrophobicContact CD2-CG2 3.97Å; L914-T953 HydrophobicContact CG-CG2 4.11Å; A949-T953 WeakPolarHBondContact O-CG2 3.48Å; A949-T953 PolarHBondContact O-N 3.24Å; A949-T953 PolarHBondContact O-OG1 2.56Å; V950-T953 WeakPolarHBondContact CA-OG1 3.41Å; V950-T953 PolarHBondContact O-OG1 2.79Å; T953-A955 PolarHBondContact O-N 3.47Å; T953-K956 PolarHBondContact O-N 2.83Å; T953-H957 PolarHBondContact O-CD2 3.23Å; T953-H957 PolarHBondContact O-N 2.73Å; T953-H957 VanDerWaalsContact O-N 3.1Å
954L94Very high90.4Very high1 Ų132.1 Ų32.11%0.00516%0.161CC..Hα-helixtrans-59.2-44.8174.5-169.963.3000112F927 A930 R931 I934 V950 L951 G958 L966 I970F927-L954 HydrophobicContact CD2-CD1 3.8Å; F927-L954 HydrophobicContact CE2-CD1 3.77Å; F927-L954 HydrophobicContact CG-CD1 4.47Å; F927-L954 HydrophobicContact CZ-CD1 4.42Å; A930-L954 HydrophobicContact CB-CB 3.79Å; A930-L954 HydrophobicContact CB-CD1 4.01Å; A930-L954 HydrophobicContact CB-CG 4.46Å; R931-L954 HydrophobicContact CB-CD1 4.06Å; I934-L954 HydrophobicContact CG2-CD2 4.38Å; V950-L954 WeakPolarHBondContact O-CB 3.27Å; V950-L954 PolarHBondContact O-N 2.89Å; L951-L954 PolarHBondContact O-N 2.87Å; L954-G958 WeakPolarHBondContact O-CA 3.47Å; L954-G958 PolarHBondContact O-N 2.86Å; L954-L966 HydrophobicContact CG-CD2 4.25Å; L954-I970 HydrophobicContact CB-CD1 4.13Å; L954-I970 HydrophobicContact CD2-CD1 3.35Å; L954-I970 HydrophobicContact CD2-CG1 4.36Å; L954-I970 HydrophobicContact CG-CD1 3.54Å
955A91.6Very high90.4Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-70.1-39.8179.300000112.8L951 Y952 T953 R959 T967 I970 Y971 L974L951-A955 WeakPolarHBondContact O-CB 3.31Å; L951-A955 PolarHBondContact O-N 2.81Å; Y952-A955 PolarHBondContact O-N 3.18Å; T953-A955 PolarHBondContact O-N 3.47Å; A955-R959 PolarHBondContact O-N 2.94Å; A955-T967 HydrophobicContact CB-CG2 4.01Å; A955-T967 VanDerWaalsContact O-CG2 3.22Å; A955-T967 WeakPolarHBondContact O-CG2 3.47Å; A955-I970 HydrophobicContact CB-CB 4.23Å; A955-I970 HydrophobicContact CB-CG2 3.83Å; A955-Y971 HydrophobicContact CB-CD1 4.26Å; A955-Y971 HydrophobicContact CB-CD2 4.26Å; A955-Y971 HydrophobicContact CB-CE1 3.89Å; A955-Y971 HydrophobicContact CB-CE2 3.87Å; A955-Y971 HydrophobicContact CB-CG 4.45Å; A955-L974 HydrophobicContact CB-CD1 4.33Å
956K91.2Very high90.4Very high75 Ų7532.8 Ų32.833%0.32616%0.162SC..Hα-helixtrans-63.4-50.2-179.9-171.9168.5-173.3165.50111.4F913 Y952 T953 T960F913-K956 HydrophobicContact CE1-CD 4.39Å; F913-K956 HydrophobicContact CZ-CD 4.1Å; Y952-K956 HydrophobicContact CE1-CD 3.82Å; Y952-K956 VanDerWaalsContact O-CB 3.31Å; Y952-K956 WeakPolarHBondContact O-CB 3.45Å; Y952-K956 PolarHBondContact O-N 2.67Å; Y952-K956 PolarHBondContact OH-NZ 2.9Å; T953-K956 PolarHBondContact O-N 2.83Å; K956-T960 PolarHBondContact O-OG1 2.83Å
957H92.7Very high90.4Very high17 Ų1730.4 Ų30.48%0.07915%0.146CC..Hα-helixtrans-76.6-31.8178-67.4-69.1000112.7F913 Y926 F927 T953 R959 T960 L961F913-H957 AromaticContact CE1-NE2 3.85Å; F913-H957 AromaticContact CE2-NE2 3.73Å; F913-H957 AromaticContact CZ-NE2 3.41Å; F913-H957 WeakPolarHBondContact CZ-NE2 3.04Å; Y926-H957 VanDerWaalsContact CB-CD2 3.46Å; Y926-H957 WeakPolarHBondContact CB-CD2 3.47Å; Y926-H957 AromaticContact CD2-NE2 3.81Å; Y926-H957 AromaticContact CG-NE2 3.85Å; F927-H957 HydrophobicContact CB-CB 4.15Å; T953-H957 PolarHBondContact O-CD2 3.23Å; T953-H957 PolarHBondContact O-N 2.73Å; T953-H957 VanDerWaalsContact O-N 3.1Å; H957-R959 VanDerWaalsContact C-N 3.28Å; H957-R959 PolarHBondContact O-N 2.9Å; H957-T960 PolarHBondContact O-N 3.4Å; H957-T960 VanDerWaalsContact O-N 3.08Å; H957-L961 WeakPolarHBondContact O-CG 3.43Å; H957-L961 PolarHBondContact O-N 2.9Å
958G90.6Very high90.3Very high0 Ų028.6 Ų28.60%014%0.138CC..Hα-helixtrans-58-39.8172.300000112.5L954 T960 L961 G962 A963 T967L954-G958 WeakPolarHBondContact O-CA 3.47Å; L954-G958 PolarHBondContact O-N 2.86Å; G958-T960 PolarHBondContact O-N 2.96Å; G958-L961 PolarHBondContact O-N 3.17Å; G958-G962 PolarHBondContact O-N 3.09Å; G958-A963 WeakPolarHBondContact O-CA 3.38Å; G958-A963 WeakPolarHBondContact O-CB 3.35Å; G958-A963 PolarHBondContact O-N 2.95Å; G958-T967 VanDerWaalsContact C-OG1 3.28Å
959R87.8Confident90.2Very high101 Ų10133.2 Ų33.238%0.38116%0.158SC..Hα-helixtrans-61.9-42.3173.1-175.5178.6167.4161.20.5112.4A955 H957 T967 T993A955-R959 PolarHBondContact O-N 2.94Å; H957-R959 VanDerWaalsContact C-N 3.28Å; H957-R959 PolarHBondContact O-N 2.9Å; R959-T967 HydrophobicContact CB-CG2 4.19Å; R959-T967 PolarHBondContact N-OG1 3.41Å; R959-T993 PolarHBondContact NH1-OG1 3.05Å
960T88.1Confident90.2Very high103 Ų10332.8 Ų32.863%0.63215%0.154SC*.Hα-helixtrans-69.5-35.9-178.3-45.10000111.8K956 H957 G958K956-T960 PolarHBondContact O-OG1 2.83Å; H957-T960 PolarHBondContact O-N 3.4Å; H957-T960 VanDerWaalsContact O-N 3.08Å; G958-T960 PolarHBondContact O-N 2.96Å
961L89.3Confident90Very high33 Ų3333.3 Ų33.317%0.17316%0.156CC..THydrogen-bonded Turntrans-87.93.2-179.1-63.1169.3000114P923 E924 F927 H957 G958 I1005P923-L961 HydrophobicContact CB-CD2 4.47Å; E924-L961 HydrophobicContact CG-CD2 3.96Å; F927-L961 HydrophobicContact CB-CD1 3.66Å; F927-L961 HydrophobicContact CD1-CD1 4.26Å; F927-L961 HydrophobicContact CD2-CD1 4.21Å; F927-L961 HydrophobicContact CG-CD1 3.8Å; H957-L961 WeakPolarHBondContact O-CG 3.43Å; H957-L961 PolarHBondContact O-N 2.9Å; G958-L961 PolarHBondContact O-N 3.17Å; L961-I1005 HydrophobicContact CB-CG2 4.02Å; L961-I1005 HydrophobicContact CD1-CG2 4.48Å
962G86.9Confident89.6Confident12 Ų1237.2 Ų37.212%0.12418%0.177CC..THydrogen-bonded Turntrans81.518.117800000115.7G958 Y964 S1002G958-G962 PolarHBondContact O-N 3.09Å; G962-Y964 VanDerWaalsContact C-N 3.27Å; G962-Y964 WeakPolarHBondContact O-CD2 3.38Å; G962-Y964 PolarHBondContact O-N 3.48Å; G962-Y964 VanDerWaalsContact O-N 3.12Å; G962-S1002 PolarHBondContact O-N 3.11Å
963A88.1Confident89.4Confident0 Ų044 Ų440%020%0.203CC..BIsolated β-bridgetrans-82.755.1174.800000112.4F927 G958 K965 L966 T967 D1001 I1005 L1018F927-A963 HydrophobicContact CE2-CB 4.4Å; G958-A963 WeakPolarHBondContact O-CA 3.38Å; G958-A963 WeakPolarHBondContact O-CB 3.35Å; G958-A963 PolarHBondContact O-N 2.95Å; A963-K965 PolarHBondContact O-N 2.79Å; A963-L966 HydrophobicContact CB-CB 4.34Å; A963-L966 HydrophobicContact CB-CD2 4.19Å; A963-T967 VanDerWaalsContact O-CB 3.25Å; A963-T967 WeakPolarHBondContact O-CB 3.42Å; A963-T967 PolarHBondContact O-N 2.76Å; A963-T967 PolarHBondContact O-OG1 3.34Å; A963-D1001 VanDerWaalsContact CA-OD1 3.26Å; A963-D1001 WeakPolarHBondContact CA-OD1 3.25Å; A963-I1005 HydrophobicContact CB-CD1 3.27Å; A963-L1018 HydrophobicContact CB-CD1 4.19Å
964Y88.4Confident89.1Confident83 Ų8344 Ų4433%0.32520%0.203SC..Hα-helixtrans-65.9-37-167.7-60.4-65.8000114.7G962 K968 L994 P998 D1001G962-Y964 VanDerWaalsContact C-N 3.27Å; G962-Y964 WeakPolarHBondContact O-CD2 3.38Å; G962-Y964 PolarHBondContact O-N 3.48Å; G962-Y964 VanDerWaalsContact O-N 3.12Å; Y964-K968 WeakPolarHBondContact O-CB 3.18Å; Y964-K968 PolarHBondContact O-N 3.44Å; Y964-K968 VanDerWaalsContact O-N 3.09Å; Y964-L994 HydrophobicContact CD1-CD2 3.86Å; Y964-P998 WeakPolarHBondContact CB-O 3.25Å; Y964-P998 HydrophobicContact CD2-CG 3.7Å; Y964-P998 HydrophobicContact CE2-CG 4.04Å; Y964-P998 HydrophobicContact CG-CG 4.34Å; Y964-D1001 PolarHBondContact N-OD1 3.02Å; Y964-D1001 VanDerWaalsContact N-OD1 3.1Å
965K88.3Confident88.6Confident99 Ų9948.6 Ų48.643%0.4322%0.224SC..Hα-helixtrans-69-46.6-179.9176.5-170.9176.1-173.70110.7A963 K968 Q969 D1001A963-K965 PolarHBondContact O-N 2.79Å; K965-K968 PolarHBondContact O-N 3.22Å; K965-Q969 WeakPolarHBondContact O-CG 3.39Å; K965-Q969 PolarHBondContact O-N 2.87Å; K965-D1001 WeakPolarHBondContact CA-OD1 3.35Å; K965-D1001 WeakPolarHBondContact CB-OD1 3.46Å; K965-D1001 PolarHBondContact N-OD1 3.46Å
966L89.3Confident88.2Confident5 Ų554.1 Ų54.13%0.02626%0.258CS..Hα-helixtrans-58.9-48.9173.5173.8117.7000111.1F927 L954 A963 K968 Q969 I970 D1001 L1018 L1019F927-L966 HydrophobicContact CE2-CD2 3.92Å; F927-L966 HydrophobicContact CZ-CD2 4.32Å; L954-L966 HydrophobicContact CG-CD2 4.25Å; A963-L966 HydrophobicContact CB-CB 4.34Å; A963-L966 HydrophobicContact CB-CD2 4.19Å; L966-K968 PolarHBondContact O-N 3Å; L966-Q969 WeakPolarHBondContact O-CB 3.43Å; L966-Q969 PolarHBondContact O-N 3.09Å; L966-Q969 VanDerWaalsContact O-N 3.15Å; L966-I970 HydrophobicContact CD1-CD1 4.31Å; L966-I970 HydrophobicContact CD2-CD1 3.49Å; L966-I970 VanDerWaalsContact CD2-CD1 3.49Å; L966-I970 HydrophobicContact CG-CD1 3.59Å; L966-I970 HydrophobicContact CG-CG1 4.41Å; L966-I970 WeakPolarHBondContact O-CG1 3.28Å; L966-I970 PolarHBondContact O-N 3.36Å; L966-D1001 PolarHBondContact N-OD1 2.93Å; L966-L1018 HydrophobicContact CB-CD1 4.14Å; L966-L1018 HydrophobicContact CD1-CB 3.53Å; L966-L1018 HydrophobicContact CD1-CD1 4.15Å; L966-L1019 HydrophobicContact CD1-CB 4.33Å; L966-L1019 HydrophobicContact CD1-CD1 3.52Å; L966-L1019 HydrophobicContact CD1-CG 3.57Å; L966-L1019 HydrophobicContact CG-CD1 4.29Å
967T90.1Very high87.9Confident0 Ų053.2 Ų53.20%026%0.256CS..Hα-helixtrans-58.7-38.9-176.6-57.70000111.6A955 G958 R959 A963 I970 Y971 L994A955-T967 HydrophobicContact CB-CG2 4.01Å; A955-T967 VanDerWaalsContact O-CG2 3.22Å; A955-T967 WeakPolarHBondContact O-CG2 3.47Å; G958-T967 VanDerWaalsContact C-OG1 3.28Å; R959-T967 HydrophobicContact CB-CG2 4.19Å; R959-T967 PolarHBondContact N-OG1 3.41Å; A963-T967 VanDerWaalsContact O-CB 3.25Å; A963-T967 WeakPolarHBondContact O-CB 3.42Å; A963-T967 PolarHBondContact O-N 2.76Å; A963-T967 PolarHBondContact O-OG1 3.34Å; T967-I970 PolarHBondContact O-N 2.81Å; T967-Y971 HydrophobicContact CG2-CD2 3.68Å; T967-Y971 HydrophobicContact CG2-CE2 3.38Å; T967-Y971 VanDerWaalsContact O-CD2 3.31Å; T967-Y971 WeakPolarHBondContact O-CD2 3.32Å; T967-Y971 PolarHBondContact O-N 3.47Å; T967-L994 HydrophobicContact CG2-CD1 3.51Å; T967-L994 HydrophobicContact CG2-CD2 4.23Å
968K87.6Confident87.2Confident34 Ų3460.6 Ų60.615%0.14829%0.291CS..Hα-helixtrans-63.4-48.2176.8-143.4166.7-175.2163.60112.1Y964 K965 L966 I970 Y971 D972 L994 N995Y964-K968 WeakPolarHBondContact O-CB 3.18Å; Y964-K968 PolarHBondContact O-N 3.44Å; Y964-K968 VanDerWaalsContact O-N 3.09Å; K965-K968 PolarHBondContact O-N 3.22Å; L966-K968 PolarHBondContact O-N 3Å; K968-I970 PolarHBondContact O-N 2.86Å; K968-Y971 PolarHBondContact O-N 3.44Å; K968-D972 PolarHBondContact O-N 3.38Å; K968-D972 VanDerWaalsContact O-N 3.12Å; K968-L994 WeakPolarHBondContact CE-O 3.28Å; K968-L994 PolarHBondContact NZ-O 3.19Å; K968-L994 VanDerWaalsContact NZ-O 3.07Å; K968-N995 WeakPolarHBondContact CE-OD1 3.46Å; K968-N995 PolarHBondContact NZ-OD1 3.07Å
969Q88.8Confident86.7Confident106 Ų10661 Ų6150%0.49529%0.293SS..Hα-helixtrans-59.3-34.8176.4-68.1178.7-15.100112.5K965 L966 R973K965-Q969 WeakPolarHBondContact O-CG 3.39Å; K965-Q969 PolarHBondContact O-N 2.87Å; L966-Q969 WeakPolarHBondContact O-CB 3.43Å; L966-Q969 PolarHBondContact O-N 3.09Å; L966-Q969 VanDerWaalsContact O-N 3.15Å; Q969-R973 PolarHBondContact O-N 3.48Å
970I89.9Confident86.4Confident1 Ų160.4 Ų60.41%0.00530%0.302CS..Hα-helixtrans-75.2-42.2179.4-65.2163.3000111.7L951 L954 A955 L966 T967 K968 D972 R973 L974 L1019L951-I970 HydrophobicContact CB-CG2 3.72Å; L951-I970 HydrophobicContact CD2-CG1 4.36Å; L951-I970 HydrophobicContact CD2-CG2 3.79Å; L951-I970 HydrophobicContact CG-CG2 4.28Å; L951-I970 VanDerWaalsContact O-CG2 3.25Å; L951-I970 WeakPolarHBondContact O-CG2 3.48Å; L954-I970 HydrophobicContact CB-CD1 4.13Å; L954-I970 HydrophobicContact CD2-CD1 3.35Å; L954-I970 HydrophobicContact CD2-CG1 4.36Å; L954-I970 HydrophobicContact CG-CD1 3.54Å; A955-I970 HydrophobicContact CB-CB 4.23Å; A955-I970 HydrophobicContact CB-CG2 3.83Å; L966-I970 HydrophobicContact CD1-CD1 4.31Å; L966-I970 HydrophobicContact CD2-CD1 3.49Å; L966-I970 VanDerWaalsContact CD2-CD1 3.49Å; L966-I970 HydrophobicContact CG-CD1 3.59Å; L966-I970 HydrophobicContact CG-CG1 4.41Å; L966-I970 WeakPolarHBondContact O-CG1 3.28Å; L966-I970 PolarHBondContact O-N 3.36Å; T967-I970 PolarHBondContact O-N 2.81Å; K968-I970 PolarHBondContact O-N 2.86Å; I970-D972 VanDerWaalsContact C-N 3.3Å; I970-D972 PolarHBondContact O-N 3.08Å; I970-R973 CarbonylContact O-C 3.58Å; I970-R973 WeakPolarHBondContact O-CA 3.32Å; I970-R973 WeakPolarHBondContact O-CB 3.23Å; I970-R973 PolarHBondContact O-N 2.88Å; I970-R973 VanDerWaalsContact O-N 3.11Å; I970-L974 HydrophobicContact CG2-CD1 3.86Å; I970-L974 HydrophobicContact CG2-CG 4.27Å; I970-L974 WeakPolarHBondContact O-CG 3.29Å; I970-L974 PolarHBondContact O-N 2.85Å; I970-L1019 HydrophobicContact CD1-CD1 4.42Å; I970-L1019 HydrophobicContact CG1-CD1 4.31Å
971Y89Confident85.9Confident10 Ų1060 Ų604%0.03930%0.303CS..Hα-helixtrans-63-37.5176.6-79.5-54.8000112.3A955 T967 K968 R973 L974 Q975 V987 A990 L994A955-Y971 HydrophobicContact CB-CD1 4.26Å; A955-Y971 HydrophobicContact CB-CD2 4.26Å; A955-Y971 HydrophobicContact CB-CE1 3.89Å; A955-Y971 HydrophobicContact CB-CE2 3.87Å; A955-Y971 HydrophobicContact CB-CG 4.45Å; T967-Y971 HydrophobicContact CG2-CD2 3.68Å; T967-Y971 HydrophobicContact CG2-CE2 3.38Å; T967-Y971 VanDerWaalsContact O-CD2 3.31Å; T967-Y971 WeakPolarHBondContact O-CD2 3.32Å; T967-Y971 PolarHBondContact O-N 3.47Å; K968-Y971 PolarHBondContact O-N 3.44Å; Y971-R973 VanDerWaalsContact C-N 3.31Å; Y971-R973 PolarHBondContact O-N 3.1Å; Y971-L974 HydrophobicContact CD1-CD1 3.72Å; Y971-L974 HydrophobicContact CE1-CD1 4.12Å; Y971-L974 PolarHBondContact O-N 3.24Å; Y971-L974 VanDerWaalsContact O-N 3.16Å; Y971-Q975 PolarHBondContact O-N 3.07Å; Y971-Q975 VanDerWaalsContact O-N 3.11Å; Y971-V987 HydrophobicContact CD1-CB 4.2Å; Y971-V987 HydrophobicContact CD1-CG1 3.63Å; Y971-V987 HydrophobicContact CD1-CG2 4.07Å; Y971-V987 HydrophobicContact CE1-CB 4.24Å; Y971-V987 HydrophobicContact CE1-CG1 4.18Å; Y971-V987 HydrophobicContact CE1-CG2 3.84Å; Y971-A990 HydrophobicContact CE1-CB 4.08Å; Y971-A990 HydrophobicContact CE2-CB 3.81Å; Y971-L994 HydrophobicContact CD2-CD1 3.38Å; Y971-L994 HydrophobicContact CE2-CD1 3.29Å
972D85Confident85.5Confident94 Ų9466.9 Ų66.950%0.50333%0.331SS..Hα-helixtrans-60.5-42172.1-69.3-18.1000111.2K968 I970 Q975K968-D972 PolarHBondContact O-N 3.38Å; K968-D972 VanDerWaalsContact O-N 3.12Å; I970-D972 VanDerWaalsContact C-N 3.3Å; I970-D972 PolarHBondContact O-N 3.08Å; D972-Q975 PolarHBondContact O-N 2.84Å
973R87.6Confident85.3Confident151 Ų15168 Ų6857%0.5733%0.334SS*.Hα-helixtrans-64.9-39.6173.2-87.9-179.5165.4-179-3.8112.6L951 Q969 I970 Y971 Q975 T976L951-R973 HydrophobicContact CD1-CB 4.47Å; Q969-R973 PolarHBondContact O-N 3.48Å; I970-R973 CarbonylContact O-C 3.58Å; I970-R973 WeakPolarHBondContact O-CA 3.32Å; I970-R973 WeakPolarHBondContact O-CB 3.23Å; I970-R973 PolarHBondContact O-N 2.88Å; I970-R973 VanDerWaalsContact O-N 3.11Å; Y971-R973 VanDerWaalsContact C-N 3.31Å; Y971-R973 PolarHBondContact O-N 3.1Å; R973-Q975 VanDerWaalsContact C-N 3.28Å; R973-Q975 PolarHBondContact O-N 3.05Å; R973-T976 PolarHBondContact O-N 2.76Å; R973-T976 VanDerWaalsContact O-N 3.09Å; R973-T976 PolarHBondContact O-OG1 3.45Å
974L87.3Confident85.1Confident0 Ų072.5 Ų72.50%035%0.351CS..Hα-helixtrans-63.2-33.4-179.9-81.1161.6000112.2A948 L951 A955 I970 Y971 T976 L977 M979 V987A948-L974 HydrophobicContact CB-CD2 4.33Å; A948-L974 WeakPolarHBondContact O-CD2 3.47Å; L951-L974 HydrophobicContact CB-CD1 4.27Å; L951-L974 HydrophobicContact CB-CD2 3.7Å; L951-L974 HydrophobicContact CB-CG 3.9Å; A955-L974 HydrophobicContact CB-CD1 4.33Å; I970-L974 HydrophobicContact CG2-CD1 3.86Å; I970-L974 HydrophobicContact CG2-CG 4.27Å; I970-L974 WeakPolarHBondContact O-CG 3.29Å; I970-L974 PolarHBondContact O-N 2.85Å; Y971-L974 HydrophobicContact CD1-CD1 3.72Å; Y971-L974 HydrophobicContact CE1-CD1 4.12Å; Y971-L974 PolarHBondContact O-N 3.24Å; Y971-L974 VanDerWaalsContact O-N 3.16Å; L974-T976 PolarHBondContact O-N 2.97Å; L974-L977 PolarHBondContact O-N 3.1Å; L974-M979 HydrophobicContact CB-CE 3.91Å; L974-M979 HydrophobicContact CB-SD 4.13Å; L974-M979 HydrophobicContact CD2-CE 4.39Å; L974-M979 HydrophobicContact CD2-SD 3.49Å; L974-M979 WeakPolarHBondContact CD2-SD 3.46Å; L974-M979 HydrophobicContact CG-SD 4.38Å; L974-M979 WeakPolarHBondContact O-CE 3.43Å; L974-V987 HydrophobicContact CB-CG1 4.44Å
975Q82.2Confident84.9Confident96 Ų9673.9 Ų73.945%0.44936%0.364SS..Hα-helixtrans-63.1-26175-72-178.9-8.400113.1Y971 D972 R973 L977Y971-Q975 PolarHBondContact O-N 3.07Å; Y971-Q975 VanDerWaalsContact O-N 3.11Å; D972-Q975 PolarHBondContact O-N 2.84Å; R973-Q975 VanDerWaalsContact C-N 3.28Å; R973-Q975 PolarHBondContact O-N 3.05Å; Q975-L977 VanDerWaalsContact C-N 3.28Å
976T84.6Confident84.8Confident117 Ų11774 Ų7472%0.71837%0.366SS*.THydrogen-bonded Turntrans-79.2-11.1175.270.80000113.6R973 L974R973-T976 PolarHBondContact O-N 2.76Å; R973-T976 VanDerWaalsContact O-N 3.09Å; R973-T976 PolarHBondContact O-OG1 3.45Å; L974-T976 PolarHBondContact O-N 2.97Å
977L84.1Confident84.6Confident55 Ų5573.7 Ų73.729%0.28837%0.365SS..SBendtrans-102.7153.1-177.3-66.1170.5000111.5A948 L951 L974 Q975 R984A948-L977 HydrophobicContact CB-CB 4.31Å; A948-L977 HydrophobicContact CB-CD1 4.25Å; L951-L977 HydrophobicContact CD1-CD1 3.68Å; L974-L977 PolarHBondContact O-N 3.1Å; Q975-L977 VanDerWaalsContact C-N 3.28Å; L977-R984 PolarHBondContact O-NH2 2.83Å; L977-R984 VanDerWaalsContact O-NH2 3.1Å
978H79.4Confident84.4Confident173 Ų17376.8 Ų76.880%0.80138%0.381SS*.  trans-79.7124.7174.7-160.3-56000109.9
979M79.9Confident84.3Confident9 Ų980.8 Ų80.84%0.04440%0.403CS..  trans-132.5153.8-175.7-60-163.6-75.200112.2A948 L974 V987A948-M979 HydrophobicContact CB-CG 4.03Å; A948-M979 HydrophobicContact CB-SD 4.4Å; L974-M979 HydrophobicContact CB-CE 3.91Å; L974-M979 HydrophobicContact CB-SD 4.13Å; L974-M979 HydrophobicContact CD2-CE 4.39Å; L974-M979 HydrophobicContact CD2-SD 3.49Å; L974-M979 WeakPolarHBondContact CD2-SD 3.46Å; L974-M979 HydrophobicContact CG-SD 4.38Å; L974-M979 WeakPolarHBondContact O-CE 3.43Å; M979-V987 HydrophobicContact CE-CB 4.11Å; M979-V987 HydrophobicContact CE-CG1 3.99Å; M979-V987 HydrophobicContact CE-CG2 3.82Å; M979-V987 HydrophobicContact SD-CG2 4.36Å
980P80.3Confident84Confident88 Ų8876 Ų7657%0.57138%0.382SS*.  trans-60.2144.9171.1-2031.9000111.9K982 M983 R984P980-K982 PolarHBondContact O-N 2.8Å; P980-M983 PolarHBondContact O-N 3.01Å; P980-R984 PolarHBondContact O-N 3.25Å; P980-R984 VanDerWaalsContact O-N 3.08Å
981S77.6Confident83.7Confident93 Ų9376.9 Ų76.965%0.6539%0.388SS*.Hα-helixtrans-54.3-45-173.152.90000113.9M983 R984 D985S981-M983 VanDerWaalsContact C-N 3.31Å; S981-M983 PolarHBondContact O-N 2.96Å; S981-R984 PolarHBondContact O-N 2.7Å; S981-R984 VanDerWaalsContact O-N 3.09Å; S981-D985 PolarHBondContact O-N 3.32Å; S981-D985 VanDerWaalsContact O-N 3.14Å
982K80.7Confident83.4Confident178 Ų17882.1 Ų82.177%0.77442%0.416SS*.Hα-helixtrans-56.5-41.2176.9-80.2-174.5175.3179.90113.4P980P980-K982 PolarHBondContact O-N 2.8Å
983M83Confident83.3Confident35 Ų3580.2 Ų80.217%0.17241%0.407CS..Hα-helixtrans-72.2-35.4177.4-90.3-176.4-174.900111.8L914 Y952 P980 S981 D985 E986 V987L914-M983 HydrophobicContact CB-CE 4.47Å; L914-M983 HydrophobicContact CD1-CE 3.93Å; L914-M983 HydrophobicContact CD2-CE 3.39Å; L914-M983 HydrophobicContact CG-CE 4.12Å; Y952-M983 HydrophobicContact CD1-CE 3.83Å; Y952-M983 HydrophobicContact CD1-SD 4.23Å; Y952-M983 HydrophobicContact CD2-CG 4.27Å; Y952-M983 HydrophobicContact CD2-SD 4.28Å; Y952-M983 HydrophobicContact CE1-CE 3.91Å; Y952-M983 HydrophobicContact CE2-CG 4.06Å; Y952-M983 HydrophobicContact CG-CE 4.31Å; Y952-M983 HydrophobicContact CG-SD 4.11Å; P980-M983 PolarHBondContact O-N 3.01Å; S981-M983 VanDerWaalsContact C-N 3.31Å; S981-M983 PolarHBondContact O-N 2.96Å; M983-D985 VanDerWaalsContact C-N 3.35Å; M983-E986 PolarHBondContact O-N 2.89Å; M983-V987 WeakPolarHBondContact O-CB 3.46Å; M983-V987 WeakPolarHBondContact O-CG2 3.26Å; M983-V987 PolarHBondContact O-N 2.83Å
984R84.7Confident82.8Confident95 Ų9573.3 Ų73.336%0.35838%0.382SS..Hα-helixtrans-63.1-43.1-179.4-174.3164.5-83.5-175.8-7.2111.2L977 P980 S981 E986 V987 D988L977-R984 PolarHBondContact O-NH2 2.83Å; L977-R984 VanDerWaalsContact O-NH2 3.1Å; P980-R984 PolarHBondContact O-N 3.25Å; P980-R984 VanDerWaalsContact O-N 3.08Å; S981-R984 PolarHBondContact O-N 2.7Å; S981-R984 VanDerWaalsContact O-N 3.09Å; R984-E986 PolarHBondContact O-N 3.46Å; R984-V987 PolarHBondContact O-N 3.27Å; R984-D988 VanDerWaalsContact O-CG 3.31Å; R984-D988 PolarHBondContact O-N 3.17Å
985D84.4Confident82.2Confident112 Ų11278.4 Ų78.460%0.59941%0.409SS*.Hα-helixtrans-60.3-43.9176-64.7-21.2000111.9S981 M983 L989S981-D985 PolarHBondContact O-N 3.32Å; S981-D985 VanDerWaalsContact O-N 3.14Å; M983-D985 VanDerWaalsContact C-N 3.35Å; D985-L989 WeakPolarHBondContact O-CB 3.21Å; D985-L989 PolarHBondContact O-N 2.88Å; D985-L989 VanDerWaalsContact O-N 3.1Å
986E85.6Confident81.8Confident101 Ų10178.9 Ų78.947%0.47242%0.423SS..Hα-helixtrans-65.3-40.9175.9-79-170.5166.800112.7Y952 M983 R984 L989 A990Y952-E986 PolarHBondContact OH-OE2 2.97Å; M983-E986 PolarHBondContact O-N 2.89Å; R984-E986 PolarHBondContact O-N 3.46Å; E986-L989 PolarHBondContact O-N 2.53Å; E986-A990 WeakPolarHBondContact O-CB 3.47Å; E986-A990 PolarHBondContact O-N 3.04Å
987V85.7Confident81.1Confident0 Ų074.5 Ų74.50%040%0.401CS..Hα-helixtrans-63.3-44.8177.9164.50000110.6Y952 Y971 L974 M979 M983 R984 L989 A990 S991Y952-V987 HydrophobicContact CD2-CG2 3.79Å; Y952-V987 HydrophobicContact CE2-CG2 4.15Å; Y971-V987 HydrophobicContact CD1-CB 4.2Å; Y971-V987 HydrophobicContact CD1-CG1 3.63Å; Y971-V987 HydrophobicContact CD1-CG2 4.07Å; Y971-V987 HydrophobicContact CE1-CB 4.24Å; Y971-V987 HydrophobicContact CE1-CG1 4.18Å; Y971-V987 HydrophobicContact CE1-CG2 3.84Å; L974-V987 HydrophobicContact CB-CG1 4.44Å; M979-V987 HydrophobicContact CE-CB 4.11Å; M979-V987 HydrophobicContact CE-CG1 3.99Å; M979-V987 HydrophobicContact CE-CG2 3.82Å; M979-V987 HydrophobicContact SD-CG2 4.36Å; M983-V987 WeakPolarHBondContact O-CB 3.46Å; M983-V987 WeakPolarHBondContact O-CG2 3.26Å; M983-V987 PolarHBondContact O-N 2.83Å; R984-V987 PolarHBondContact O-N 3.27Å; V987-L989 PolarHBondContact O-N 2.68Å; V987-A990 PolarHBondContact O-N 3.17Å; V987-S991 WeakPolarHBondContact O-CB 3.33Å; V987-S991 PolarHBondContact O-N 3.1Å
988D85.1Confident80.6Confident64 Ų6475.6 Ų75.634%0.34241%0.412SS..Hα-helixtrans-64.4-43.7180-70.4-22.4000110.5R984 A990 S991 I992R984-D988 VanDerWaalsContact O-CG 3.31Å; R984-D988 PolarHBondContact O-N 3.17Å; D988-A990 PolarHBondContact O-N 2.93Å; D988-S991 PolarHBondContact O-N 3.17Å; D988-S991 PolarHBondContact O-OG 3.46Å; D988-I992 WeakPolarHBondContact O-CG1 3.37Å; D988-I992 PolarHBondContact O-N 3.09Å; D988-I992 VanDerWaalsContact O-N 3.15Å
989L85.8Confident80.6Confident118 Ų11873.7 Ų73.762%0.61841%0.405SS*.Hα-helixtrans-65.4-39.4176.4-142.4156.3000111.8D985 E986 V987 T993D985-L989 WeakPolarHBondContact O-CB 3.21Å; D985-L989 PolarHBondContact O-N 2.88Å; D985-L989 VanDerWaalsContact O-N 3.1Å; E986-L989 PolarHBondContact O-N 2.53Å; V987-L989 PolarHBondContact O-N 2.68Å; L989-T993 PolarHBondContact O-N 3.35Å; L989-T993 VanDerWaalsContact O-N 3.09Å; L989-T993 PolarHBondContact O-OG1 3.33Å
990A82.1Confident80.7Confident7 Ų779.4 Ų79.46%0.05843%0.434CS..Hα-helixtrans-65.8-40.9174.800000112.2Y971 E986 V987 D988 I992 T993 L994Y971-A990 HydrophobicContact CE1-CB 4.08Å; Y971-A990 HydrophobicContact CE2-CB 3.81Å; E986-A990 WeakPolarHBondContact O-CB 3.47Å; E986-A990 PolarHBondContact O-N 3.04Å; V987-A990 PolarHBondContact O-N 3.17Å; D988-A990 PolarHBondContact O-N 2.93Å; A990-I992 VanDerWaalsContact C-N 3.34Å; A990-I992 PolarHBondContact O-N 3.44Å; A990-T993 VanDerWaalsContact CA-OG1 3.3Å; A990-T993 WeakPolarHBondContact CA-OG1 3.31Å; A990-T993 PolarHBondContact O-N 3Å; A990-T993 PolarHBondContact O-OG1 3.44Å; A990-T993 VanDerWaalsContact O-OG1 3.06Å; A990-L994 WeakPolarHBondContact O-CB 3.23Å; A990-L994 WeakPolarHBondContact O-CD1 3.13Å; A990-L994 PolarHBondContact O-N 2.82Å
991S84Confident80.9Confident18 Ų1877.1 Ų77.113%0.12642%0.417CS..Hα-helixtrans-62.4-41.6178.579.50000111.6V987 D988 L994 N995V987-S991 WeakPolarHBondContact O-CB 3.33Å; V987-S991 PolarHBondContact O-N 3.1Å; D988-S991 PolarHBondContact O-N 3.17Å; D988-S991 PolarHBondContact O-OG 3.46Å; S991-L994 PolarHBondContact O-N 3.38Å; S991-N995 PolarHBondContact O-N 3.03Å; S991-N995 VanDerWaalsContact O-N 3.16Å; S991-N995 PolarHBondContact O-ND2 3.34Å
992I83Confident81.3Confident121 Ų12174.6 Ų74.662%0.62140%0.399SS*.Hα-helixtrans-66-43.2176.6-63.9165.8000110.6D988 A990 N995D988-I992 WeakPolarHBondContact O-CG1 3.37Å; D988-I992 PolarHBondContact O-N 3.09Å; D988-I992 VanDerWaalsContact O-N 3.15Å; A990-I992 VanDerWaalsContact C-N 3.34Å; A990-I992 PolarHBondContact O-N 3.44Å; I992-N995 WeakPolarHBondContact O-CB 3.4Å; I992-N995 PolarHBondContact O-N 3.14Å
993T82.5Confident81.3Confident53 Ų5374.3 Ų74.333%0.32540%0.401SS..Hα-helixtrans-70.3-30178.538.70000113.4R959 L989 A990 N995 S996R959-T993 PolarHBondContact NH1-OG1 3.05Å; L989-T993 PolarHBondContact O-N 3.35Å; L989-T993 VanDerWaalsContact O-N 3.09Å; L989-T993 PolarHBondContact O-OG1 3.33Å; A990-T993 VanDerWaalsContact CA-OG1 3.3Å; A990-T993 WeakPolarHBondContact CA-OG1 3.31Å; A990-T993 PolarHBondContact O-N 3Å; A990-T993 PolarHBondContact O-OG1 3.44Å; A990-T993 VanDerWaalsContact O-OG1 3.06Å; T993-N995 VanDerWaalsContact C-N 3.31Å; T993-S996 PolarHBondContact O-N 3.34Å; T993-S996 PolarHBondContact O-OG 2.8Å
994L76.5Confident81.2Confident7 Ų779.9 Ų79.94%0.03743%0.431CS..Hα-helixtrans-76.3-19.2174.3-88.5149.7000113.5Y964 T967 K968 Y971 A990 S991 S996 G997Y964-L994 HydrophobicContact CD1-CD2 3.86Å; T967-L994 HydrophobicContact CG2-CD1 3.51Å; T967-L994 HydrophobicContact CG2-CD2 4.23Å; K968-L994 WeakPolarHBondContact CE-O 3.28Å; K968-L994 PolarHBondContact NZ-O 3.19Å; K968-L994 VanDerWaalsContact NZ-O 3.07Å; Y971-L994 HydrophobicContact CD2-CD1 3.38Å; Y971-L994 HydrophobicContact CE2-CD1 3.29Å; A990-L994 WeakPolarHBondContact O-CB 3.23Å; A990-L994 WeakPolarHBondContact O-CD1 3.13Å; A990-L994 PolarHBondContact O-N 2.82Å; S991-L994 PolarHBondContact O-N 3.38Å; L994-S996 PolarHBondContact O-N 2.89Å; L994-G997 PolarHBondContact O-N 2.86Å; L994-G997 VanDerWaalsContact O-N 3.14Å
995N74.1Confident81.1Confident107 Ų10776.7 Ų76.757%0.57242%0.421SS*.THydrogen-bonded Turntrans-65.5-20.5173.2-77.2-29.3000113.3K968 S991 I992 T993K968-N995 WeakPolarHBondContact CE-OD1 3.46Å; K968-N995 PolarHBondContact NZ-OD1 3.07Å; S991-N995 PolarHBondContact O-N 3.03Å; S991-N995 VanDerWaalsContact O-N 3.16Å; S991-N995 PolarHBondContact O-ND2 3.34Å; I992-N995 WeakPolarHBondContact O-CB 3.4Å; I992-N995 PolarHBondContact O-N 3.14Å; T993-N995 VanDerWaalsContact C-N 3.31Å
996S75Confident81Confident105 Ų10573.8 Ų73.873%0.73441%0.41SS*.THydrogen-bonded Turntrans-93.1-7.3171.961.50000115T993 L994T993-S996 PolarHBondContact O-N 3.34Å; T993-S996 PolarHBondContact O-OG 2.8Å; L994-S996 PolarHBondContact O-N 2.89Å
997G70.2Confident80.8Confident26 Ų2669.9 Ų69.927%0.26839%0.393SS..SBendtrans-87.6164.9-178.500000115L994L994-G997 PolarHBondContact O-N 2.86Å; L994-G997 VanDerWaalsContact O-N 3.14Å
998P73.8Confident80.9Confident77 Ų7774.9 Ų74.950%0.542%0.417SS..  trans-66.9147.1-179.626.1-31.9000113Y964 I1000Y964-P998 WeakPolarHBondContact CB-O 3.25Å; Y964-P998 HydrophobicContact CD2-CG 3.7Å; Y964-P998 HydrophobicContact CE2-CG 4.04Å; Y964-P998 HydrophobicContact CG-CG 4.34Å; P998-I1000 PolarHBondContact O-N 3.2Å
999M79.1Confident81Confident134 Ų13471.9 Ų71.966%0.6640%0.402SS*.SBendtrans-84.328.3178.1-89.7-97.7-15500113.2
1000I82Confident81.1Confident128 Ų12869.7 Ų69.766%0.65639%0.386SS*.  trans-127.3137.3-175-54.8171.6000107.9P998P998-I1000 PolarHBondContact O-N 3.2Å
1001D84.9Confident81.2Confident41 Ų4170.1 Ų70.122%0.21939%0.386CS..BIsolated β-bridgetrans-89.8147.8172.3-63.1-39.3000109.6A963 Y964 K965 L966 I1005 L1018A963-D1001 VanDerWaalsContact CA-OD1 3.26Å; A963-D1001 WeakPolarHBondContact CA-OD1 3.25Å; Y964-D1001 PolarHBondContact N-OD1 3.02Å; Y964-D1001 VanDerWaalsContact N-OD1 3.1Å; K965-D1001 WeakPolarHBondContact CA-OD1 3.35Å; K965-D1001 WeakPolarHBondContact CB-OD1 3.46Å; K965-D1001 PolarHBondContact N-OD1 3.46Å; L966-D1001 PolarHBondContact N-OD1 2.93Å; D1001-I1005 HydrophobicContact CB-CD1 4.48Å; D1001-L1018 HydrophobicContact CB-CD1 4.11Å
1002S85Confident81.2Confident39 Ų3970.5 Ų70.527%0.27339%0.388SS..  trans-59.8143.5175-174.80000112G962 D1004 I1005G962-S1002 PolarHBondContact O-N 3.11Å; S1002-D1004 VanDerWaalsContact C-N 3.29Å; S1002-D1004 PolarHBondContact OG-N 3.19Å; S1002-I1005 WeakPolarHBondContact O-CG1 3.39Å
1003E81.1Confident81.3Confident172 Ų17268.8 Ų68.880%0.80439%0.387SS*.G310 helixtrans-71.5-25.2176.2-69.5-176179.900112.1I1005 S1006E1003-I1005 VanDerWaalsContact C-N 3.26Å; E1003-I1005 PolarHBondContact O-N 3.1Å; E1003-S1006 WeakPolarHBondContact CA-OG 3.32Å; E1003-S1006 WeakPolarHBondContact O-CB 3.39Å; E1003-S1006 PolarHBondContact O-N 3.43Å; E1003-S1006 VanDerWaalsContact O-N 3.12Å; E1003-S1006 PolarHBondContact O-OG 3.17Å
1004D80.4Confident81.4Confident153 Ų15367.5 Ų67.582%0.81838%0.381SS*.G310 helixtrans-67.2-24.3-175.5-58.4-33.4000113.6S1002S1002-D1004 VanDerWaalsContact C-N 3.29Å; S1002-D1004 PolarHBondContact OG-N 3.19Å
1005I83.4Confident81.9Confident27 Ų2772 Ų7214%0.13841%0.409CS..G310 helixtrans-92.3-2.1178.951.2172.2000113.2L961 A963 D1001 S1002 E1003 T1007 L1018L961-I1005 HydrophobicContact CB-CG2 4.02Å; L961-I1005 HydrophobicContact CD1-CG2 4.48Å; A963-I1005 HydrophobicContact CB-CD1 3.27Å; D1001-I1005 HydrophobicContact CB-CD1 4.48Å; S1002-I1005 WeakPolarHBondContact O-CG1 3.39Å; E1003-I1005 VanDerWaalsContact C-N 3.26Å; E1003-I1005 PolarHBondContact O-N 3.1Å; I1005-T1007 PolarHBondContact O-N 2.98Å; I1005-L1018 HydrophobicContact CB-CD2 4.39Å; I1005-L1018 HydrophobicContact CD1-CD1 3.76Å; I1005-L1018 HydrophobicContact CD1-CD2 4.41Å; I1005-L1018 HydrophobicContact CG1-CD1 4.39Å; I1005-L1018 HydrophobicContact CG1-CD2 4.32Å; I1005-L1018 WeakPolarHBondContact O-CD2 3.27Å
1006S81.1Confident82.6Confident52 Ų5267.2 Ų67.236%0.36438%0.384SS..PPolyproline II helixtrans-63.3133.1-179.4-46.80000110.9E1003E1003-S1006 WeakPolarHBondContact CA-OG 3.32Å; E1003-S1006 WeakPolarHBondContact O-CB 3.39Å; E1003-S1006 PolarHBondContact O-N 3.43Å; E1003-S1006 VanDerWaalsContact O-N 3.12Å; E1003-S1006 PolarHBondContact O-OG 3.17Å
1007T81.9Confident83.1Confident18 Ų1865.3 Ų65.311%0.1137%0.369CS..EExtended strand (participates in β ladder)trans-88.3117.1173.224.20000110.8R931 I1005 N1016R931-T1007 VanDerWaalsContact CZ-CG2 3.49Å; R931-T1007 VanDerWaalsContact NH1-CG2 3.31Å; R931-T1007 PolarHBondContact NH1-OG1 3.02Å; I1005-T1007 PolarHBondContact O-N 2.98Å; T1007-N1016 PolarHBondContact O-N 3.23Å
1008M87.3Confident84Confident105 Ų10564.7 Ų64.752%0.51736%0.359SS..EExtended strand (participates in β ladder)trans-88.7135.7171.3-116.6-162.3-62.700110.8T1015 Q1042M1008-T1015 HydrophobicContact CG-CG2 3.98Å; M1008-Q1042 PolarHBondContact O-NE2 3.01Å; M1008-Q1042 PolarHBondContact O-OE1 2.8Å
1009C88Confident84.5Confident2 Ų263.1 Ų63.11%0.01435%0.346CS..PPolyproline II helixtrans-78.8122.6169178.90000110R1011 S1013 A1014 C1026 C1029 F1033C1009-R1011 PolarHBondContact O-N 2.9Å; C1009-R1011 PolarHBondContact SG-N 2.86Å; C1009-S1013 WeakPolarHBondContact O-CA 3.47Å; C1009-S1013 PolarHBondContact O-N 3.18Å; C1009-A1014 PolarHBondContact N-O 3.29Å; C1009-C1026 HydrophobicContact CB-CB 4.08Å; C1009-C1029 PolarHBondContact SG-SG 3.19Å; C1009-F1033 HydrophobicContact CB-CE1 4.27Å
1010Y87.2Confident84.9Confident72 Ų7257.2 Ų57.228%0.28232%0.318SS..THydrogen-bonded Turntrans-69.8-12.5178.3-65.2-73.6000114.2Q1042 L1043 P1044 L1156Y1010-Q1042 HydrophobicContact CD2-CG 4.21Å; Y1010-Q1042 HydrophobicContact CE2-CB 4.49Å; Y1010-Q1042 HydrophobicContact CE2-CG 3.97Å; Y1010-L1043 WeakPolarHBondContact CD2-O 3.45Å; Y1010-P1044 HydrophobicContact CD1-CB 4.02Å; Y1010-P1044 VanDerWaalsContact CD2-CA 3.47Å; Y1010-P1044 HydrophobicContact CD2-CB 4.23Å; Y1010-P1044 HydrophobicContact CE1-CB 3.79Å; Y1010-P1044 HydrophobicContact CE2-CB 4.02Å; Y1010-P1044 HydrophobicContact CG-CB 4.24Å; Y1010-L1156 HydrophobicContact CE1-CD1 3.99Å
1011R84.2Confident85Confident16 Ų1654.7 Ų54.76%0.0631%0.311CS..THydrogen-bonded Turntrans-85.9-49.3174.5179.4170.2176178.4-0.3113.3C1009 E1031 V1046 L1111 S1122C1009-R1011 PolarHBondContact O-N 2.9Å; C1009-R1011 PolarHBondContact SG-N 2.86Å; R1011-E1031 HydrophobicContact CB-CG 4.4Å; R1011-E1031 WeakPolarHBondContact CD-OE2 3.1Å; R1011-E1031 IonicContact CZ-OE2 3.05Å; R1011-E1031 IonicContact NE-OE2 3.29Å; R1011-E1031 IonicContact NH1-OE2 2.86Å; R1011-E1031 PolarHBondContact NH1-OE2 3.47Å; R1011-V1046 HydrophobicContact CB-CG1 4.32Å; R1011-V1046 HydrophobicContact CB-CG2 4.15Å; R1011-V1046 HydrophobicContact CG-CG1 4.4Å; R1011-L1111 HydrophobicContact CG-CD1 4.13Å; R1011-L1111 HydrophobicContact CG-CG 4.29Å; R1011-L1111 WeakPolarHBondContact O-CD2 3.41Å; R1011-S1122 PolarHBondContact NH1-O 3.28Å; R1011-S1122 PolarHBondContact NH2-O 2.95Å; R1011-S1122 VanDerWaalsContact NH2-O 3.09Å
1012C84.3Confident85Confident26 Ų2655.4 Ų55.418%0.17631%0.314CS..THydrogen-bonded Turntrans-111.63.3-174.467.40000114.4A1014 C1029 L1116C1012-A1014 PolarHBondContact O-N 2.8Å; C1012-A1014 VanDerWaalsContact SG-CB 3.57Å; C1012-C1029 HydrophobicContact CB-CB 4.07Å; C1012-C1029 VanDerWaalsContact SG-SG 3.62Å; C1012-L1116 HydrophobicContact CB-CD2 3.76Å
1013S85.4Confident85Confident85 Ų8553.5 Ų53.559%0.59430%0.301SS*.  trans5511.3-177-52.70000114.9C1009C1009-S1013 WeakPolarHBondContact O-CA 3.47Å; C1009-S1013 PolarHBondContact O-N 3.18Å
1014A85.5Confident85.3Confident25 Ų2546.5 Ų46.521%0.20727%0.269CS..PPolyproline II helixtrans-76.4136.4177.600000110.3C1009 C1012 N1016 N1028C1009-A1014 PolarHBondContact N-O 3.29Å; C1012-A1014 PolarHBondContact O-N 2.8Å; C1012-A1014 VanDerWaalsContact SG-CB 3.57Å; A1014-N1016 PolarHBondContact O-ND2 3.27Å; A1014-N1016 VanDerWaalsContact O-ND2 3.12Å; A1014-N1028 HydrophobicContact CB-CB 4.1Å
1015T87.3Confident85.8Confident101 Ų10144.1 Ų44.162%0.6225%0.249SC*.EExtended strand (participates in β ladder)trans-73.9124.1168.946.10000109.5M1008M1008-T1015 HydrophobicContact CG-CG2 3.98Å
1016N87Confident86.1Confident8 Ų842.9 Ų42.94%0.04324%0.242CC..EExtended strand (participates in β ladder)trans-94.6142.9-179.5-69.6-88.4000110.1T1007 A1014 C1026 M1027 F1033T1007-N1016 PolarHBondContact O-N 3.23Å; A1014-N1016 PolarHBondContact O-ND2 3.27Å; A1014-N1016 VanDerWaalsContact O-ND2 3.12Å; N1016-C1026 WeakPolarHBondContact OD1-CA 3.24Å; N1016-C1026 PolarHBondContact OD1-SG 3.27Å; N1016-M1027 PolarHBondContact OD1-N 2.8Å; N1016-F1033 HydrophobicContact CB-CZ 4.28Å
1017P87Confident86.3Confident64 Ų6443.9 Ų43.942%0.41624%0.242SC..PPolyproline II helixtrans-62.9142.7172.527.1-32.5000109.9L1019 N1020 M1027P1017-L1019 PolarHBondContact O-N 2.8Å; P1017-L1019 VanDerWaalsContact O-N 3.17Å; P1017-N1020 HydrophobicContact CG-CB 3.9Å; P1017-M1027 HydrophobicContact CG-CG 4.04Å
1018L87.9Confident86.5Confident14 Ų1447.2 Ų47.27%0.07326%0.26CS..SBendtrans-57.7-30.4-177.8-64.6171.6000113.4F927 R931 A963 L966 D1001 I1005F927-L1018 HydrophobicContact CE1-CD2 4.33Å; F927-L1018 HydrophobicContact CZ-CD1 4.44Å; F927-L1018 HydrophobicContact CZ-CD2 4.22Å; R931-L1018 WeakPolarHBondContact CD-O 3.46Å; A963-L1018 HydrophobicContact CB-CD1 4.19Å; L966-L1018 HydrophobicContact CB-CD1 4.14Å; L966-L1018 HydrophobicContact CD1-CB 3.53Å; L966-L1018 HydrophobicContact CD1-CD1 4.15Å; D1001-L1018 HydrophobicContact CB-CD1 4.11Å; I1005-L1018 HydrophobicContact CB-CD2 4.39Å; I1005-L1018 HydrophobicContact CD1-CD1 3.76Å; I1005-L1018 HydrophobicContact CD1-CD2 4.41Å; I1005-L1018 HydrophobicContact CG1-CD1 4.39Å; I1005-L1018 HydrophobicContact CG1-CD2 4.32Å; I1005-L1018 WeakPolarHBondContact O-CD2 3.27Å
1019L85.7Confident86.3Confident44 Ų4442.9 Ų42.923%0.2324%0.239CC..SBendtrans-122.8129.3167.4-75.9167.7000108.8I934 L966 I970 P1017I934-L1019 HydrophobicContact CG2-CD2 3.28Å; L966-L1019 HydrophobicContact CD1-CB 4.33Å; L966-L1019 HydrophobicContact CD1-CD1 3.52Å; L966-L1019 HydrophobicContact CD1-CG 3.57Å; L966-L1019 HydrophobicContact CG-CD1 4.29Å; I970-L1019 HydrophobicContact CD1-CD1 4.42Å; I970-L1019 HydrophobicContact CG1-CD1 4.31Å; P1017-L1019 PolarHBondContact O-N 2.8Å; P1017-L1019 VanDerWaalsContact O-N 3.17Å
1020N85.6Confident86.3Confident10 Ų1045.3 Ų45.35%0.05325%0.249CC..  trans-135.8154.1-173.19828.7000110.2H935 Q938 P1017 L1022 G1023 R1025 M1027H935-N1020 PolarHBondContact NE2-N 3.33Å; Q938-N1020 PolarHBondContact OE1-O 3.48Å; P1017-N1020 HydrophobicContact CG-CB 3.9Å; N1020-L1022 VanDerWaalsContact C-N 3.35Å; N1020-L1022 VanDerWaalsContact OD1-C 3.27Å; N1020-L1022 WeakPolarHBondContact OD1-CA 3.25Å; N1020-L1022 PolarHBondContact OD1-N 3.17Å; N1020-G1023 VanDerWaalsContact CG-O 3.26Å; N1020-G1023 PolarHBondContact ND2-O 3.08Å; N1020-G1023 PolarHBondContact OD1-N 3Å; N1020-G1023 PolarHBondContact OD1-O 3.03Å; N1020-R1025 PolarHBondContact ND2-O 3.07Å; N1020-M1027 VanDerWaalsContact CA-CE 3.5Å; N1020-M1027 HydrophobicContact CB-CE 3.36Å; N1020-M1027 HydrophobicContact CB-CG 3.95Å
1021S84.3Confident86.3Confident74 Ų7442.2 Ų42.252%0.51724%0.238SC..THydrogen-bonded Turntrans-77.3-14.1-178.555.50000115.2M1027S1021-M1027 VanDerWaalsContact OG-CE 3.28Å; S1021-M1027 WeakPolarHBondContact OG-CE 3.23Å
1022L85.1Confident86.5Confident56 Ų5642.8 Ų42.829%0.29324%0.244SC..THydrogen-bonded Turntrans-94.61.9178.1-63.9172.5000112.4N1020 R1025 M1027 K1030N1020-L1022 VanDerWaalsContact C-N 3.35Å; N1020-L1022 VanDerWaalsContact OD1-C 3.27Å; N1020-L1022 WeakPolarHBondContact OD1-CA 3.25Å; N1020-L1022 PolarHBondContact OD1-N 3.17Å; L1022-R1025 HydrophobicContact CB-CB 4.14Å; L1022-M1027 HydrophobicContact CD1-SD 4.49Å; L1022-K1030 HydrophobicContact CD1-CG 4.13Å
1023G85Confident86.8Confident0 Ų042.4 Ų42.40%024%0.239CC..SBendtrans64.6-128.1-176.300000113.6N1020 R1025N1020-G1023 VanDerWaalsContact CG-O 3.26Å; N1020-G1023 PolarHBondContact ND2-O 3.08Å; N1020-G1023 PolarHBondContact OD1-N 3Å; N1020-G1023 PolarHBondContact OD1-O 3.03Å; G1023-R1025 PolarHBondContact O-N 3.43Å
1024N88.7Confident87.1Confident24 Ų2439.9 Ų39.913%0.12822%0.219CC..SBendtrans-77.443.7-177.7-68.3-28000112.7Y932 H935 F1033 Y1035Y932-N1024 VanDerWaalsContact CD2-ND2 3.25Å; Y932-N1024 WeakPolarHBondContact CD2-ND2 3.35Å; Y932-N1024 WeakPolarHBondContact CE2-ND2 3.46Å; Y932-N1024 PolarHBondContact O-ND2 3.29Å; H935-N1024 WeakPolarHBondContact CB-OD1 3.28Å; H935-N1024 PolarHBondContact ND1-OD1 3.4Å; N1024-F1033 VanDerWaalsContact C-CD2 3.5Å; N1024-F1033 PolarHBondContact O-N 3.41Å; N1024-Y1035 HydrophobicContact CB-CE2 3.99Å; N1024-Y1035 PolarHBondContact OD1-OH 3.34Å
1025R90.1Very high87.5Confident104 Ų10439.2 Ų39.239%0.39221%0.211SC..BIsolated β-bridgetrans-135.6153.3179.7-66.8178.8174.9-104.83.6110.7N1020 L1022 G1023 K1030 E1031 P1032 F1033N1020-R1025 PolarHBondContact ND2-O 3.07Å; L1022-R1025 HydrophobicContact CB-CB 4.14Å; G1023-R1025 PolarHBondContact O-N 3.43Å; R1025-K1030 PolarHBondContact NH1-O 2.89Å; R1025-E1031 CarbonylContact C-O 3.6Å; R1025-E1031 VanDerWaalsContact CA-O 3.28Å; R1025-E1031 WeakPolarHBondContact CA-O 3.33Å; R1025-P1032 HydrophobicContact CG-CB 4.41Å; R1025-F1033 VanDerWaalsContact C-CE2 3.48Å; R1025-F1033 WeakPolarHBondContact O-CE2 3.22Å
1026C88.7Confident87.7Confident0 Ų034.4 Ų34.40%018%0.181CC..  trans-66.8136.7174.2-179.60000112.1C1009 N1016 N1028 C1029 K1030 E1031 F1033C1009-C1026 HydrophobicContact CB-CB 4.08Å; N1016-C1026 WeakPolarHBondContact OD1-CA 3.24Å; N1016-C1026 PolarHBondContact OD1-SG 3.27Å; C1026-N1028 VanDerWaalsContact C-N 3.31Å; C1026-N1028 PolarHBondContact O-N 3.25Å; C1026-N1028 PolarHBondContact SG-N 2.83Å; C1026-C1029 VanDerWaalsContact SG-SG 3.67Å; C1026-K1030 WeakPolarHBondContact O-CA 3.27Å; C1026-K1030 PolarHBondContact O-N 2.86Å; C1026-E1031 PolarHBondContact N-O 3.03Å; C1026-F1033 HydrophobicContact CB-CE1 4.09Å; C1026-F1033 HydrophobicContact CB-CZ 4.02Å
1027M86.4Confident87.9Confident74 Ų7434.8 Ų34.837%0.36518%0.183SC..THydrogen-bonded Turntrans-65-31.4174.7-87.2-82179.600113.9N1016 P1017 N1020 S1021 L1022N1016-M1027 PolarHBondContact OD1-N 2.8Å; P1017-M1027 HydrophobicContact CG-CG 4.04Å; N1020-M1027 VanDerWaalsContact CA-CE 3.5Å; N1020-M1027 HydrophobicContact CB-CE 3.36Å; N1020-M1027 HydrophobicContact CB-CG 3.95Å; S1021-M1027 VanDerWaalsContact OG-CE 3.28Å; S1021-M1027 WeakPolarHBondContact OG-CE 3.23Å; L1022-M1027 HydrophobicContact CD1-SD 4.49Å
1028N85.5Confident88Confident88 Ų8832.4 Ų32.447%0.47117%0.166SC..THydrogen-bonded Turntrans-91.2-56.3-174.8-159.524.9000111.4A1014 C1026A1014-N1028 HydrophobicContact CB-CB 4.1Å; C1026-N1028 VanDerWaalsContact C-N 3.31Å; C1026-N1028 PolarHBondContact O-N 3.25Å; C1026-N1028 PolarHBondContact SG-N 2.83Å
1029C83.9Confident88.1Confident13 Ų1332.8 Ų32.89%0.08817%0.168CC..THydrogen-bonded Turntrans-103.3-2.2-175.268.90000115.2C1009 C1012 C1026 E1031 L1116C1009-C1029 PolarHBondContact SG-SG 3.19Å; C1012-C1029 HydrophobicContact CB-CB 4.07Å; C1012-C1029 VanDerWaalsContact SG-SG 3.62Å; C1026-C1029 VanDerWaalsContact SG-SG 3.67Å; C1029-E1031 PolarHBondContact O-N 3.38Å; C1029-E1031 VanDerWaalsContact SG-CB 3.57Å; C1029-L1116 HydrophobicContact CB-CD2 3.61Å
1030K87Confident88.4Confident53 Ų5330.8 Ų30.823%0.2316%0.158CC..  trans61.18.4179.6-57.6171-177160.30116.2L1022 R1025 C1026 S1118 E1119L1022-K1030 HydrophobicContact CD1-CG 4.13Å; R1025-K1030 PolarHBondContact NH1-O 2.89Å; C1026-K1030 WeakPolarHBondContact O-CA 3.27Å; C1026-K1030 PolarHBondContact O-N 2.86Å; K1030-S1118 PolarHBondContact NZ-O 3.36Å; K1030-E1119 VanDerWaalsContact NZ-CA 3.27Å; K1030-E1119 PolarHBondContact NZ-O 2.97Å
1031E87.5Confident88.6Confident8 Ų834.4 Ų34.44%0.03717%0.174CC..PPolyproline II helixtrans-53.3128.2170.8-173.578.2-161.900109.9R1011 R1025 C1026 C1029 E1047 Y1121R1011-E1031 HydrophobicContact CB-CG 4.4Å; R1011-E1031 WeakPolarHBondContact CD-OE2 3.1Å; R1011-E1031 IonicContact CZ-OE2 3.05Å; R1011-E1031 IonicContact NE-OE2 3.29Å; R1011-E1031 IonicContact NH1-OE2 2.86Å; R1011-E1031 PolarHBondContact NH1-OE2 3.47Å; R1025-E1031 CarbonylContact C-O 3.6Å; R1025-E1031 VanDerWaalsContact CA-O 3.28Å; R1025-E1031 WeakPolarHBondContact CA-O 3.33Å; C1026-E1031 PolarHBondContact N-O 3.03Å; C1029-E1031 PolarHBondContact O-N 3.38Å; C1029-E1031 VanDerWaalsContact SG-CB 3.57Å; E1031-E1047 WeakPolarHBondContact OE1-CB 2.87Å; E1031-E1047 PolarHBondContact OE1-N 2.87Å; E1031-E1047 VanDerWaalsContact OE1-N 3.11Å; E1031-Y1121 HydrophobicContact CB-CE2 4.22Å; E1031-Y1121 PolarHBondContact OE1-OH 3.44Å; E1031-Y1121 WeakPolarHBondContact OE2-CE2 3.36Å; E1031-Y1121 PolarHBondContact OE2-OH 3.09Å
1032P89.2Confident89Confident28 Ų2831.8 Ų31.818%0.18215%0.154CC..BIsolated β-bridgetrans-69.7130.317327.6-29.9000110.6R1025 I1034 Y1121R1025-P1032 HydrophobicContact CG-CB 4.41Å; P1032-I1034 PolarHBondContact O-N 2.81Å; P1032-Y1121 VanDerWaalsContact CD-CZ 3.45Å; P1032-Y1121 HydrophobicContact CG-CE1 4.31Å
1033F91.2Very high89.3Confident18 Ų1829.2 Ų29.28%0.07914%0.141CC..PPolyproline II helixtrans-72.3129.9173.7-60.7-46.7000109.8C1009 N1016 N1024 R1025 C1026 Y1035 Q1042C1009-F1033 HydrophobicContact CB-CE1 4.27Å; N1016-F1033 HydrophobicContact CB-CZ 4.28Å; N1024-F1033 VanDerWaalsContact C-CD2 3.5Å; N1024-F1033 PolarHBondContact O-N 3.41Å; R1025-F1033 VanDerWaalsContact C-CE2 3.48Å; R1025-F1033 WeakPolarHBondContact O-CE2 3.22Å; C1026-F1033 HydrophobicContact CB-CE1 4.09Å; C1026-F1033 HydrophobicContact CB-CZ 4.02Å; F1033-Y1035 HydrophobicContact CB-CE1 4.21Å; F1033-Y1035 HydrophobicContact CB-CE2 3.77Å; F1033-Y1035 WeakPolarHBondContact CB-OH 3.24Å; F1033-Y1035 WeakPolarHBondContact O-CE2 3.45Å; F1033-Q1042 HydrophobicContact CB-CG 4.24Å; F1033-Q1042 HydrophobicContact CD1-CG 4.08Å; F1033-Q1042 HydrophobicContact CG-CG 4.42Å
1034I90.7Very high89.6Confident32 Ų3229.3 Ų29.316%0.16414%0.141CC..PPolyproline II helixtrans-104135.4174.2-54.5-165.1000108.6P1032 Q1042 L1043 I1045 Y1152 L1170P1032-I1034 PolarHBondContact O-N 2.81Å; I1034-Q1042 CarbonylContact O-C 3.28Å; I1034-Q1042 WeakPolarHBondContact O-CA 3.41Å; I1034-L1043 HydrophobicContact CG2-CD1 4.4Å; I1034-L1043 PolarHBondContact O-N 3.21Å; I1034-I1045 HydrophobicContact CB-CD1 3.9Å; I1034-I1045 HydrophobicContact CB-CG1 4.18Å; I1034-I1045 HydrophobicContact CD1-CD1 4.07Å; I1034-I1045 HydrophobicContact CG1-CD1 4.48Å; I1034-I1045 HydrophobicContact CG2-CD1 3.79Å; I1034-Y1152 HydrophobicContact CD1-CD1 3.63Å; I1034-Y1152 HydrophobicContact CD1-CE1 3.05Å; I1034-Y1152 HydrophobicContact CD1-CE2 4.1Å; I1034-Y1152 HydrophobicContact CD1-CG 4.36Å; I1034-Y1152 HydrophobicContact CG1-CE1 4.45Å; I1034-L1170 HydrophobicContact CG2-CD1 3.84Å
1035Y93.1Very high89.7Confident11 Ų1128.7 Ų28.74%0.04314%0.138CC..BIsolated β-bridgetrans-117.9148.7-170-60.4-80.3000111.8Y932 N1024 F1033 L1040 E1041 Q1042Y932-Y1035 AromaticContact CD2-CD2 3.65Å; Y932-Y1035 HydrophobicContact CD2-CD2 3.65Å; Y932-Y1035 AromaticContact CD2-CE2 3.57Å; Y932-Y1035 HydrophobicContact CD2-CE2 3.57Å; Y932-Y1035 HydrophobicContact CD2-CG 4.29Å; Y932-Y1035 AromaticContact CE2-CD2 3.65Å; Y932-Y1035 HydrophobicContact CE2-CD2 3.65Å; Y932-Y1035 AromaticContact CE2-CE2 3.83Å; Y932-Y1035 HydrophobicContact CE2-CE2 3.83Å; N1024-Y1035 HydrophobicContact CB-CE2 3.99Å; N1024-Y1035 PolarHBondContact OD1-OH 3.34Å; F1033-Y1035 HydrophobicContact CB-CE1 4.21Å; F1033-Y1035 HydrophobicContact CB-CE2 3.77Å; F1033-Y1035 WeakPolarHBondContact CB-OH 3.24Å; F1033-Y1035 WeakPolarHBondContact O-CE2 3.45Å; Y1035-L1040 WeakPolarHBondContact CD1-O 3.42Å; Y1035-L1040 HydrophobicContact CG-CD2 4.16Å; Y1035-E1041 VanDerWaalsContact CA-O 3.28Å; Y1035-E1041 WeakPolarHBondContact CA-O 3.46Å; Y1035-Q1042 HydrophobicContact CE1-CB 4.41Å
1036S92.8Very high89.6Confident0 Ų023.8 Ų23.80%012%0.119CC..  trans-72.5120.4161.3167.80000108.8I1038 N1039 L1040 E1041 L1170 Y1172S1036-I1038 PolarHBondContact O-N 2.81Å; S1036-N1039 WeakPolarHBondContact CB-OD1 3.15Å; S1036-N1039 PolarHBondContact OG-OD1 3.08Å; S1036-L1040 WeakPolarHBondContact O-CA 3.4Å; S1036-L1040 PolarHBondContact O-N 2.93Å; S1036-E1041 PolarHBondContact N-O 2.85Å; S1036-L1170 WeakPolarHBondContact CA-O 3.21Å; S1036-Y1172 PolarHBondContact OG-N 3.26Å
1037F89.6Confident89.7Confident16 Ų1624.4 Ų24.47%0.0712%0.122CC..THydrogen-bonded Turntrans-73.15.1-170.8-100.7-105.8000115.1D902 Y905 K1169 L1170 F1171 Y1188D902-F1037 HydrophobicContact CB-CE1 4.1Å; D902-F1037 HydrophobicContact CB-CZ 4.29Å; Y905-F1037 HydrophobicContact CD1-CD1 4.11Å; Y905-F1037 HydrophobicContact CE1-CD1 4.17Å; Y905-F1037 WeakPolarHBondContact CE1-O 3.19Å; F1037-K1169 HydrophobicContact CD1-CD 4.39Å; F1037-K1169 HydrophobicContact CD2-CB 4.5Å; F1037-K1169 HydrophobicContact CD2-CD 3.93Å; F1037-K1169 HydrophobicContact CE1-CD 4.25Å; F1037-K1169 HydrophobicContact CE2-CD 3.78Å; F1037-K1169 HydrophobicContact CG-CB 4.48Å; F1037-K1169 HydrophobicContact CG-CD 4.24Å; F1037-K1169 HydrophobicContact CG-CG 4.44Å; F1037-K1169 HydrophobicContact CZ-CD 3.96Å; F1037-K1169 VanDerWaalsContact CZ-NZ 3.29Å; F1037-L1170 PolarHBondContact N-O 2.99Å; F1037-L1170 VanDerWaalsContact N-O 3.07Å; F1037-F1171 HydrophobicContact CB-CD1 3.99Å; F1037-F1171 HydrophobicContact CB-CE1 3.41Å; F1037-F1171 VanDerWaalsContact CB-CE1 3.41Å; F1037-F1171 HydrophobicContact CB-CZ 4.05Å; F1037-Y1188 HydrophobicContact CD1-CD2 4.06Å; F1037-Y1188 HydrophobicContact CD1-CE2 4.13Å; F1037-Y1188 HydrophobicContact CE1-CD2 4.46Å; F1037-Y1188 HydrophobicContact CE1-CE2 4.06Å
1038I89.1Confident89.9Confident13 Ų1320.9 Ų20.97%0.06711%0.105CC..THydrogen-bonded Turntrans-97.3-54.9172.9-69.5161.6000110.5M929 S1036 F1171 D1175 I1179M929-I1038 WeakPolarHBondContact CE-O 3.31Å; S1036-I1038 PolarHBondContact O-N 2.81Å; I1038-F1171 HydrophobicContact CD1-CD1 3.76Å; I1038-F1171 HydrophobicContact CD1-CE1 4.39Å; I1038-F1171 HydrophobicContact CD1-CG 4.47Å; I1038-F1171 HydrophobicContact CG1-CD1 3.77Å; I1038-F1171 HydrophobicContact CG1-CE1 4.11Å; I1038-D1175 HydrophobicContact CB-CB 4.47Å; I1038-D1175 HydrophobicContact CD1-CB 3.83Å; I1038-D1175 HydrophobicContact CG2-CB 4.3Å; I1038-I1179 HydrophobicContact CB-CD1 4.38Å; I1038-I1179 HydrophobicContact CD1-CD1 3.83Å; I1038-I1179 HydrophobicContact CD1-CG1 4.46Å; I1038-I1179 HydrophobicContact CG1-CD1 3.88Å; I1038-I1179 HydrophobicContact CG2-CD1 3.58Å
1039N90.5Very high89.9Confident23 Ų2319.9 Ų19.912%0.12310%0.099CC..THydrogen-bonded Turntrans-102.8-8.1-17463.46.5000114.6T925 N928 S1036 E1041 Y1172 D1175T925-N1039 HydrophobicContact CG2-CB 3.99Å; N928-N1039 WeakPolarHBondContact CB-O 3.47Å; S1036-N1039 WeakPolarHBondContact CB-OD1 3.15Å; S1036-N1039 PolarHBondContact OG-OD1 3.08Å; N1039-E1041 PolarHBondContact O-N 2.93Å; N1039-E1041 VanDerWaalsContact O-N 3.17Å; N1039-E1041 PolarHBondContact OD1-N 3.05Å; N1039-Y1172 VanDerWaalsContact ND2-CD2 3.31Å; N1039-Y1172 WeakPolarHBondContact ND2-CD2 3.16Å; N1039-Y1172 WeakPolarHBondContact ND2-CE2 3.4Å; N1039-D1175 PolarHBondContact ND2-OD2 2.8Å
1040L92.5Very high89.8Confident2 Ų220 Ų201%0.0110%0.099CC..  trans51.731-177.6-70.8170.3000114.1V906 N928 M929 Y932 Y1035 S1036V906-L1040 HydrophobicContact CB-CD1 4.32Å; V906-L1040 HydrophobicContact CG1-CD1 3.52Å; V906-L1040 HydrophobicContact CG2-CD1 3.74Å; N928-L1040 HydrophobicContact CB-CB 4.05Å; M929-L1040 HydrophobicContact CB-CD1 4.1Å; M929-L1040 HydrophobicContact CG-CD1 3.74Å; Y932-L1040 HydrophobicContact CD1-CD1 4.02Å; Y932-L1040 HydrophobicContact CD1-CD2 4.33Å; Y932-L1040 HydrophobicContact CD2-CD2 4.13Å; Y932-L1040 HydrophobicContact CE2-CD2 4.39Å; Y932-L1040 HydrophobicContact CG-CD1 4.04Å; Y932-L1040 HydrophobicContact CG-CD2 4.09Å; Y1035-L1040 WeakPolarHBondContact CD1-O 3.42Å; Y1035-L1040 HydrophobicContact CG-CD2 4.16Å; S1036-L1040 WeakPolarHBondContact O-CA 3.4Å; S1036-L1040 PolarHBondContact O-N 2.93Å
1041E90.8Very high89.4Confident86 Ų8621.1 Ų21.140%0.40211%0.105SC..PPolyproline II helixtrans-74.8146.2163.1-97.6-171.9170.100111Y1035 S1036 N1039 L1043 Y1172Y1035-E1041 VanDerWaalsContact CA-O 3.28Å; Y1035-E1041 WeakPolarHBondContact CA-O 3.46Å; S1036-E1041 PolarHBondContact N-O 2.85Å; N1039-E1041 PolarHBondContact O-N 2.93Å; N1039-E1041 VanDerWaalsContact O-N 3.17Å; N1039-E1041 PolarHBondContact OD1-N 3.05Å; E1041-L1043 PolarHBondContact O-N 2.9Å; E1041-Y1172 HydrophobicContact CB-CE2 3.94Å; E1041-Y1172 WeakPolarHBondContact OE2-CE2 3.45Å; E1041-Y1172 PolarHBondContact OE2-OH 3.33Å
1042Q91.2Very high88.4Confident19 Ų1927.5 Ų27.59%0.08914%0.139CC..BIsolated β-bridgetrans-71.4121.1177-178-171.8-31.400109.2M1008 Y1010 F1033 I1034 Y1035M1008-Q1042 PolarHBondContact O-NE2 3.01Å; M1008-Q1042 PolarHBondContact O-OE1 2.8Å; Y1010-Q1042 HydrophobicContact CD2-CG 4.21Å; Y1010-Q1042 HydrophobicContact CE2-CB 4.49Å; Y1010-Q1042 HydrophobicContact CE2-CG 3.97Å; F1033-Q1042 HydrophobicContact CB-CG 4.24Å; F1033-Q1042 HydrophobicContact CD1-CG 4.08Å; F1033-Q1042 HydrophobicContact CG-CG 4.42Å; I1034-Q1042 CarbonylContact O-C 3.28Å; I1034-Q1042 WeakPolarHBondContact O-CA 3.41Å; Y1035-Q1042 HydrophobicContact CE1-CB 4.41Å
1043L91.6Very high87.5Confident2 Ų233.2 Ų33.21%0.0117%0.169CC..PPolyproline II helixtrans-72.1144.5177.2-69.2173.2000110.7Y1010 I1034 E1041 I1045 I1161 L1170 Y1172Y1010-L1043 WeakPolarHBondContact CD2-O 3.45Å; I1034-L1043 HydrophobicContact CG2-CD1 4.4Å; I1034-L1043 PolarHBondContact O-N 3.21Å; E1041-L1043 PolarHBondContact O-N 2.9Å; L1043-I1045 HydrophobicContact CB-CD1 4.09Å; L1043-I1045 HydrophobicContact CB-CG1 3.92Å; L1043-I1045 HydrophobicContact CD1-CD1 4.31Å; L1043-I1045 PolarHBondContact O-N 2.87Å; L1043-I1161 HydrophobicContact CB-CD1 4.32Å; L1043-I1161 HydrophobicContact CD1-CG2 4.05Å; L1043-I1161 HydrophobicContact CD2-CD1 4.12Å; L1043-I1161 HydrophobicContact CD2-CG1 4.13Å; L1043-L1170 HydrophobicContact CD1-CB 3.69Å; L1043-L1170 HydrophobicContact CD1-CD1 4.35Å; L1043-Y1172 HydrophobicContact CD2-CD1 4.06Å; L1043-Y1172 HydrophobicContact CD2-CE1 3.8Å; L1043-Y1172 HydrophobicContact CD2-CE2 4.32Å; L1043-Y1172 HydrophobicContact CD2-CG 4.42Å
1044P91.3Very high86.6Confident1 Ų134 Ų341%0.00617%0.173CC..SBendtrans-77.752.718034.2-37.4000113.1Y1010 S1154 V1155 L1156 V1159Y1010-P1044 HydrophobicContact CD1-CB 4.02Å; Y1010-P1044 VanDerWaalsContact CD2-CA 3.47Å; Y1010-P1044 HydrophobicContact CD2-CB 4.23Å; Y1010-P1044 HydrophobicContact CE1-CB 3.79Å; Y1010-P1044 HydrophobicContact CE2-CB 4.02Å; Y1010-P1044 HydrophobicContact CG-CB 4.24Å; P1044-S1154 WeakPolarHBondContact O-CA 3.4Å; P1044-V1155 PolarHBondContact O-N 3.29Å; P1044-L1156 HydrophobicContact CB-CB 3.88Å; P1044-L1156 HydrophobicContact CB-CD1 3.8Å; P1044-L1156 HydrophobicContact CB-CG 3.96Å; P1044-L1156 HydrophobicContact CG-CB 4.01Å; P1044-L1156 HydrophobicContact CG-CD1 4.37Å; P1044-V1159 HydrophobicContact CG-CB 4Å; P1044-V1159 HydrophobicContact CG-CG1 3.95Å; P1044-V1159 HydrophobicContact CG-CG2 4.27Å
1045I90.4Very high86Confident12 Ų1235 Ų356%0.06218%0.183CC..EExtended strand (participates in β ladder)trans-122.7147.7-176.659.3178.2000112.1I1034 L1043 I1140 Y1152 K1153 I1161 L1170I1034-I1045 HydrophobicContact CB-CD1 3.9Å; I1034-I1045 HydrophobicContact CB-CG1 4.18Å; I1034-I1045 HydrophobicContact CD1-CD1 4.07Å; I1034-I1045 HydrophobicContact CG1-CD1 4.48Å; I1034-I1045 HydrophobicContact CG2-CD1 3.79Å; L1043-I1045 HydrophobicContact CB-CD1 4.09Å; L1043-I1045 HydrophobicContact CB-CG1 3.92Å; L1043-I1045 HydrophobicContact CD1-CD1 4.31Å; L1043-I1045 PolarHBondContact O-N 2.87Å; I1045-I1140 HydrophobicContact CG2-CD1 4.16Å; I1045-Y1152 HydrophobicContact CD1-CD1 4.47Å; I1045-Y1152 HydrophobicContact CD1-CG 4.29Å; I1045-K1153 CarbonylContact C-O 3.57Å; I1045-K1153 VanDerWaalsContact CA-O 3.26Å; I1045-K1153 WeakPolarHBondContact CA-O 3.48Å; I1045-I1161 HydrophobicContact CG2-CD1 3.54Å; I1045-L1170 HydrophobicContact CD1-CD1 3.79Å
1046V89.6Confident85.2Confident1 Ų137.1 Ų37.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-126134.8178.6177.20000110.2R1011 F1107 L1111 V1124 Y1152 K1153 V1155R1011-V1046 HydrophobicContact CB-CG1 4.32Å; R1011-V1046 HydrophobicContact CB-CG2 4.15Å; R1011-V1046 HydrophobicContact CG-CG1 4.4Å; V1046-F1107 HydrophobicContact CB-CZ 4.43Å; V1046-F1107 HydrophobicContact CG1-CZ 4.44Å; V1046-L1111 HydrophobicContact CG1-CD1 3.94Å; V1046-L1111 HydrophobicContact CG2-CD1 4.45Å; V1046-V1124 HydrophobicContact CG1-CG2 4.4Å; V1046-Y1152 WeakPolarHBondContact O-CA 3.34Å; V1046-K1153 PolarHBondContact N-O 3.27Å; V1046-K1153 PolarHBondContact O-N 3.42Å; V1046-V1155 HydrophobicContact CB-CG2 4.37Å; V1046-V1155 HydrophobicContact CG2-CG2 3.6Å
1047E90Very high84.6Confident12 Ų1244.8 Ų44.86%0.05623%0.23CC..EExtended strand (participates in β ladder)trans-73.4136.1177.7-164.9175.7-16500111.7E1031 Y1121 P1123 V1124 R1150 Y1151 Y1152E1031-E1047 WeakPolarHBondContact OE1-CB 2.87Å; E1031-E1047 PolarHBondContact OE1-N 2.87Å; E1031-E1047 VanDerWaalsContact OE1-N 3.11Å; E1047-Y1121 WeakPolarHBondContact CB-OH 3.45Å; E1047-Y1121 PolarHBondContact OE2-OH 2.91Å; E1047-P1123 HydrophobicContact CB-CB 4.34Å; E1047-P1123 HydrophobicContact CG-CB 4.03Å; E1047-P1123 HydrophobicContact CG-CG 4.17Å; E1047-V1124 PolarHBondContact O-N 3.46Å; E1047-R1150 IonicContact OE1-CZ 2.81Å; E1047-R1150 IonicContact OE1-NE 2.64Å; E1047-R1150 PolarHBondContact OE1-NE 2.92Å; E1047-R1150 IonicContact OE1-NH2 3.78Å; E1047-R1150 PolarHBondContact OE1-NH2 2.97Å; E1047-R1150 IonicContact OE2-NH2 3.81Å; E1047-R1150 PolarHBondContact OE2-NH2 2.87Å; E1047-Y1151 WeakPolarHBondContact CA-O 3.36Å; E1047-Y1152 HydrophobicContact CB-CD1 3.9Å; E1047-Y1152 HydrophobicContact CB-CE1 3.63Å; E1047-Y1152 HydrophobicContact CG-CD1 4.2Å; E1047-Y1152 HydrophobicContact CG-CE1 3.68Å
1048F89.6Confident84.1Confident1 Ų148 Ų480%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-133.7152.817270.8-96000112.1F1107 V1124 L1126 L1131 V1139 Y1151 K1153F1048-F1107 HydrophobicContact CB-CE2 4.4Å; F1048-F1107 HydrophobicContact CD1-CE2 4.47Å; F1048-V1124 CarbonylContact C-O 3.54Å; F1048-V1124 VanDerWaalsContact CA-O 3.28Å; F1048-V1124 WeakPolarHBondContact CA-O 3.27Å; F1048-V1124 HydrophobicContact CB-CB 4.44Å; F1048-V1124 WeakPolarHBondContact CB-O 3.32Å; F1048-L1126 HydrophobicContact CB-CD1 3.91Å; F1048-L1126 HydrophobicContact CB-CG 4.06Å; F1048-L1126 HydrophobicContact CD1-CD1 4.25Å; F1048-L1126 HydrophobicContact CD2-CD1 3.39Å; F1048-L1126 HydrophobicContact CD2-CG 4.09Å; F1048-L1126 HydrophobicContact CE2-CD1 3.86Å; F1048-L1126 HydrophobicContact CG-CD1 3.6Å; F1048-L1126 HydrophobicContact CG-CG 4.26Å; F1048-L1126 HydrophobicContact CZ-CD1 4.44Å; F1048-L1131 HydrophobicContact CE2-CD2 3.92Å; F1048-V1139 HydrophobicContact CE1-CG1 4.1Å; F1048-V1139 HydrophobicContact CE1-CG2 4.41Å; F1048-V1139 HydrophobicContact CZ-CG1 3.9Å; F1048-V1139 HydrophobicContact CZ-CG2 4.4Å; F1048-Y1151 HydrophobicContact CE2-CG 4.11Å; F1048-Y1151 VanDerWaalsContact CZ-CB 3.46Å; F1048-Y1151 HydrophobicContact CZ-CG 4.27Å; F1048-Y1151 PolarHBondContact N-O 2.84Å; F1048-K1153 HydrophobicContact CD1-CB 4.09Å; F1048-K1153 HydrophobicContact CE1-CB 4.05Å
1049I86.4Confident83.6Confident67 Ų6747.4 Ų47.434%0.34424%0.242SC..EExtended strand (participates in β ladder)trans-121.3130.4174.9-71.7174.3000108.4P1123 V1124 Q1125 L1126I1049-P1123 HydrophobicContact CB-CB 4.41Å; I1049-P1123 HydrophobicContact CD1-CB 3.79Å; I1049-P1123 HydrophobicContact CD1-CG 3.51Å; I1049-P1123 HydrophobicContact CG1-CB 3.78Å; I1049-P1123 HydrophobicContact CG1-CG 4.01Å; I1049-V1124 PolarHBondContact N-O 2.83Å; I1049-Q1125 VanDerWaalsContact O-CA 3.28Å; I1049-Q1125 WeakPolarHBondContact O-CA 3.35Å; I1049-L1126 PolarHBondContact O-N 3Å
1050P81.2Confident83.1Confident15 Ų1548.4 Ų48.410%0.09725%0.247CC..EExtended strand (participates in β ladder)trans-70.2153.9170.627.9-31.3000111L1054 V1059 L1131 Y1151P1050-L1054 HydrophobicContact CB-CB 4.42Å; P1050-L1054 HydrophobicContact CB-CD1 4.08Å; P1050-V1059 HydrophobicContact CB-CG2 3.76Å; P1050-V1059 HydrophobicContact CG-CG1 4.36Å; P1050-V1059 HydrophobicContact CG-CG2 3.56Å; P1050-L1131 HydrophobicContact CB-CD1 4.02Å; P1050-Y1151 HydrophobicContact CG-CE2 4.17Å
1051E78.7Confident82.6Confident77 Ų7751.2 Ų51.236%0.3627%0.267SS..  trans-50.3144.3176.1-78.1-175.115000113N1053 L1054 L1126E1051-N1053 PolarHBondContact O-N 2.75Å; E1051-L1054 HydrophobicContact CB-CD1 4.46Å; E1051-L1054 PolarHBondContact O-N 3.41Å; E1051-L1054 VanDerWaalsContact O-N 3.07Å; E1051-L1126 PolarHBondContact N-O 2.81Å
1052D66.2Low82.1Confident141 Ų14150 Ų5075%0.75426%0.259SS*.THydrogen-bonded Turntrans-57-10.9-167.6-68.1-31.7000115.7
1053N71.7Confident81.4Confident149 Ų14949.2 Ų49.280%0.79726%0.255SS*.THydrogen-bonded Turntrans-90.6-3.7-178.5-59.5-27.7000113.8E1051E1051-N1053 PolarHBondContact O-N 2.75Å
1054L71.8Confident80.6Confident33 Ų3355.3 Ų55.317%0.17328%0.283CS..  trans-104.3128-170.4-68.6166.3000112.7P1050 E1051 E1058 V1059 Y1062 I1128 L1131P1050-L1054 HydrophobicContact CB-CB 4.42Å; P1050-L1054 HydrophobicContact CB-CD1 4.08Å; E1051-L1054 HydrophobicContact CB-CD1 4.46Å; E1051-L1054 PolarHBondContact O-N 3.41Å; E1051-L1054 VanDerWaalsContact O-N 3.07Å; L1054-E1058 HydrophobicContact CD2-CB 4.27Å; L1054-V1059 HydrophobicContact CB-CG2 3.95Å; L1054-Y1062 HydrophobicContact CD2-CD2 4.27Å; L1054-Y1062 HydrophobicContact CD2-CE2 3.62Å; L1054-I1128 HydrophobicContact CD1-CG1 4.11Å; L1054-L1131 HydrophobicContact CD1-CD1 4.1Å
1055S79Confident79.5Confident54 Ų5457.3 Ų57.338%0.37830%0.297SS..  trans-79.1158.7173.464.30000112.7E1057 E1058 V1059S1055-E1057 PolarHBondContact O-N 2.79Å; S1055-E1058 WeakPolarHBondContact CB-OE2 3.45Å; S1055-E1058 PolarHBondContact N-OE2 2.83Å; S1055-E1058 PolarHBondContact O-N 2.91Å; S1055-E1058 VanDerWaalsContact O-N 3.1Å; S1055-E1058 VanDerWaalsContact OG-CG 3.24Å; S1055-E1058 WeakPolarHBondContact OG-CG 3.32Å; S1055-E1058 PolarHBondContact OG-N 3.4Å; S1055-E1058 PolarHBondContact OG-OE2 2.92Å; S1055-V1059 VanDerWaalsContact O-CG2 3.29Å; S1055-V1059 WeakPolarHBondContact O-CG2 3.02Å; S1055-V1059 PolarHBondContact O-N 3.29Å
1056H76.2Confident77.6Confident56 Ų5665.7 Ų65.726%0.25934%0.336SS..Hα-helixtrans-55.7-37179.9-17757.3000112.7L1060 N1143 P1149 Y1151H1056-L1060 PolarHBondContact O-N 2.8Å; H1056-L1060 VanDerWaalsContact O-N 3.14Å; H1056-N1143 PolarHBondContact NE2-ND2 3.16Å; H1056-P1149 HydrophobicContact CB-CG 4.45Å; H1056-Y1151 AromaticContact ND1-CE1 3.94Å; H1056-Y1151 AromaticContact ND1-CZ 3.64Å; H1056-Y1151 PolarHBondContact ND1-OH 2.82Å
1057E79.2Confident75.7Confident161 Ų16168.6 Ų68.675%0.75236%0.356SS*.Hα-helixtrans-69.4-41177.3-66.2-177.2170.800112.3S1055 L1060 S1061S1055-E1057 PolarHBondContact O-N 2.79Å; E1057-L1060 PolarHBondContact O-N 3.41Å; E1057-S1061 PolarHBondContact O-N 2.9Å
1058E79.7Confident73.6Confident82 Ų8273.1 Ų73.138%0.38339%0.386SS..Hα-helixtrans-65.4-39.8176.2-73164.914900111.5L1054 S1055 S1061 Y1062L1054-E1058 HydrophobicContact CD2-CB 4.27Å; S1055-E1058 WeakPolarHBondContact CB-OE2 3.45Å; S1055-E1058 PolarHBondContact N-OE2 2.83Å; S1055-E1058 PolarHBondContact O-N 2.91Å; S1055-E1058 VanDerWaalsContact O-N 3.1Å; S1055-E1058 VanDerWaalsContact OG-CG 3.24Å; S1055-E1058 WeakPolarHBondContact OG-CG 3.32Å; S1055-E1058 PolarHBondContact OG-N 3.4Å; S1055-E1058 PolarHBondContact OG-OE2 2.92Å; E1058-S1061 WeakPolarHBondContact O-CB 3.45Å; E1058-S1061 PolarHBondContact O-N 2.85Å; E1058-S1061 PolarHBondContact O-OG 2.81Å; E1058-Y1062 HydrophobicContact CB-CE2 4.32Å; E1058-Y1062 WeakPolarHBondContact O-CD2 3.31Å; E1058-Y1062 PolarHBondContact O-N 2.8Å
1059V78.4Confident71.2Confident1 Ų177.6 Ų77.61%0.00642%0.417CS..Hα-helixtrans-62.2-44.7176.8176.60000111P1050 L1054 S1055 S1061 Y1062 L1063 L1131 Y1151P1050-V1059 HydrophobicContact CB-CG2 3.76Å; P1050-V1059 HydrophobicContact CG-CG1 4.36Å; P1050-V1059 HydrophobicContact CG-CG2 3.56Å; L1054-V1059 HydrophobicContact CB-CG2 3.95Å; S1055-V1059 VanDerWaalsContact O-CG2 3.29Å; S1055-V1059 WeakPolarHBondContact O-CG2 3.02Å; S1055-V1059 PolarHBondContact O-N 3.29Å; V1059-S1061 VanDerWaalsContact C-N 3.3Å; V1059-S1061 PolarHBondContact O-N 3.47Å; V1059-Y1062 PolarHBondContact O-N 3.34Å; V1059-L1063 HydrophobicContact CG1-CD1 3.96Å; V1059-L1063 WeakPolarHBondContact O-CG 3.3Å; V1059-L1063 PolarHBondContact O-N 2.66Å; V1059-L1131 HydrophobicContact CG1-CD2 4.48Å; V1059-Y1151 HydrophobicContact CG1-CD1 4.36Å; V1059-Y1151 HydrophobicContact CG1-CE1 3.75Å
1060L80.6Confident68.8Low45 Ų4584.7 Ų84.724%0.23644%0.441CS..Hα-helixtrans-59.5-41.5173.5-81.3165.1000111.6H1056 E1057 Y1062 L1063 Q1064 F1136 I1141H1056-L1060 PolarHBondContact O-N 2.8Å; H1056-L1060 VanDerWaalsContact O-N 3.14Å; E1057-L1060 PolarHBondContact O-N 3.41Å; L1060-Y1062 VanDerWaalsContact C-N 3.34Å; L1060-Y1062 PolarHBondContact O-N 2.73Å; L1060-L1063 PolarHBondContact O-N 3.41Å; L1060-Q1064 WeakPolarHBondContact O-CB 3.37Å; L1060-Q1064 VanDerWaalsContact O-CG 3.29Å; L1060-Q1064 WeakPolarHBondContact O-CG 3.14Å; L1060-Q1064 PolarHBondContact O-N 2.93Å; L1060-F1136 HydrophobicContact CD2-CE2 4.2Å; L1060-I1141 HydrophobicContact CD2-CD1 3.5Å; L1060-I1141 HydrophobicContact CG-CD1 4.5Å
1061S80.7Confident66.3Low61 Ų6194 Ų9443%0.42747%0.474SS..Hα-helixtrans-63.5-37.3178.983.40000113.1E1057 E1058 V1059E1057-S1061 PolarHBondContact O-N 2.9Å; E1058-S1061 WeakPolarHBondContact O-CB 3.45Å; E1058-S1061 PolarHBondContact O-N 2.85Å; E1058-S1061 PolarHBondContact O-OG 2.81Å; V1059-S1061 VanDerWaalsContact C-N 3.3Å; V1059-S1061 PolarHBondContact O-N 3.47Å
1062Y80.2Confident63.9Low61 Ų6197.9 Ų97.924%0.23950%0.498CS..Hα-helixtrans-76-37.4178.9-67.4-48.6000112.7L1054 E1058 V1059 L1060 Q1064 S1065 I1128 K1132L1054-Y1062 HydrophobicContact CD2-CD2 4.27Å; L1054-Y1062 HydrophobicContact CD2-CE2 3.62Å; E1058-Y1062 HydrophobicContact CB-CE2 4.32Å; E1058-Y1062 WeakPolarHBondContact O-CD2 3.31Å; E1058-Y1062 PolarHBondContact O-N 2.8Å; V1059-Y1062 PolarHBondContact O-N 3.34Å; L1060-Y1062 VanDerWaalsContact C-N 3.34Å; L1060-Y1062 PolarHBondContact O-N 2.73Å; Y1062-Q1064 VanDerWaalsContact C-N 3.31Å; Y1062-Q1064 PolarHBondContact O-N 3.04Å; Y1062-S1065 PolarHBondContact O-N 3.13Å; Y1062-S1065 PolarHBondContact O-OG 3.34Å; Y1062-I1128 HydrophobicContact CD1-CG2 4.43Å; Y1062-I1128 HydrophobicContact CE1-CG2 4.28Å; Y1062-I1128 HydrophobicContact CE2-CG2 4.42Å; Y1062-K1132 VanDerWaalsContact CD1-CE 3.45Å; Y1062-K1132 HydrophobicContact CD1-CG 4.36Å
1063L77.5Confident62Low2 Ų299.3 Ų99.31%0.0151%0.505CS..Hα-helixtrans-68.8-30176.2-71.9169.6000112.7V1059 L1060 S1065 L1131 I1134 F1136 V1139V1059-L1063 HydrophobicContact CG1-CD1 3.96Å; V1059-L1063 WeakPolarHBondContact O-CG 3.3Å; V1059-L1063 PolarHBondContact O-N 2.66Å; L1060-L1063 PolarHBondContact O-N 3.41Å; L1063-S1065 VanDerWaalsContact C-N 3.29Å; L1063-L1131 HydrophobicContact CD2-CD2 4.01Å; L1063-L1131 HydrophobicContact CG-CD2 4.28Å; L1063-I1134 HydrophobicContact CD2-CB 4.49Å; L1063-F1136 HydrophobicContact CB-CD2 3.83Å; L1063-F1136 HydrophobicContact CB-CE2 4.39Å; L1063-V1139 HydrophobicContact CD1-CG1 4.06Å; L1063-V1139 HydrophobicContact CD2-CG2 3.99Å
1064Q74.8Confident59.9Low129 Ų129101.9 Ų101.960%0.60351%0.508SS*.THydrogen-bonded Turntrans-80.3-6.7176.8-72.1177.1-9.200113.6L1060 Y1062 F1136L1060-Q1064 WeakPolarHBondContact O-CB 3.37Å; L1060-Q1064 VanDerWaalsContact O-CG 3.29Å; L1060-Q1064 WeakPolarHBondContact O-CG 3.14Å; L1060-Q1064 PolarHBondContact O-N 2.93Å; Y1062-Q1064 VanDerWaalsContact C-N 3.31Å; Y1062-Q1064 PolarHBondContact O-N 3.04Å; Q1064-F1136 HydrophobicContact CG-CD2 3.84Å; Q1064-F1136 HydrophobicContact CG-CE2 3.93Å
1065S67.7Low57.8Low43 Ų43107.8 Ų107.830%0.30154%0.54SS..SBendtrans-81.2124.817765.90000111.2Y1062 L1063Y1062-S1065 PolarHBondContact O-N 3.13Å; Y1062-S1065 PolarHBondContact O-OG 3.34Å; L1063-S1065 VanDerWaalsContact C-N 3.29Å
1066E50.8Low55.4Low188 Ų188113.9 Ų113.988%0.87956%0.563SS**PPolyproline II helixtrans-58.4132-175.9-76.7-177.2156.200112.1
1067P50.4Low53.1Low63 Ų63119.2 Ų119.241%0.40959%0.593SS.*PPolyproline II helixtrans-69.1147.4177.527.4-32.6000110.8S1069P1067-S1069 PolarHBondContact O-N 2.95Å; P1067-S1069 VanDerWaalsContact O-N 3.15Å
1068P45.5Very low50.6Low106 Ų106118.8 Ų118.869%0.68860%0.595SS**PPolyproline II helixtrans-62.6120.1179.724.2-31.5000110.7Y1070P1068-Y1070 PolarHBondContact O-N 3.03Å
1069S38.4Very low48Very low96 Ų96121.8 Ų121.867%0.67161%0.613SS**  trans-58.7106.6178.4-175.10000111.6P1067 R1071P1067-S1069 PolarHBondContact O-N 2.95Å; P1067-S1069 VanDerWaalsContact O-N 3.15Å; S1069-R1071 PolarHBondContact O-N 3.06Å
1070Y36.8Very low45.5Very low216 Ų216128.9 Ų128.985%0.84765%0.651SS**  trans-7866.4160.3-92.2-92000109.5P1068P1068-Y1070 PolarHBondContact O-N 3.03Å
1071R28.5Very low43.1Very low210 Ų210135 Ų13579%0.79268%0.682SS**  trans-135101.3161.9-78.1-175.3177172.60.1106.3S1069S1069-R1071 PolarHBondContact O-N 3.06Å
1072N27.2Very low40.6Very low159 Ų159140.7 Ų140.785%0.8570%0.702SS**  trans15868.8152-78.1-14.7000111.4
1073L27.6Very low37.9Very low171 Ų171146 Ų14690%0.89573%0.734SS**  trans-148.278.4158.6-79.6176.2000108.2
1074K27.6Very low35.6Very low202 Ų202151 Ų15188%0.87877%0.768SS**  trans179.674.5158.1-100.4169.2-170-175.20109
1075D27.6Very low33.3Very low157 Ų157151.7 Ų151.784%0.8478%0.776SS**  trans-138.169.5160.9-94.3-25.9000106.7
1076E27.4Very low31.3Very low183 Ų183156.9 Ų156.986%0.85580%0.796SS**SBendtrans-168.2135.6157.6-104.8167.2-157.800105.7
1077D28.6Very low30.2Very low168 Ų168157.8 Ų157.890%0.89879%0.793SS**  trans84.158.2-171.4-55.3-23.2000117.5
1078I26.8Very low29.2Very low152 Ų152159.9 Ų159.978%0.77981%0.809SS**  trans-109.9101147.2-61.6172.6000107
1079N25.3Very low28.3Very low145 Ų145164.1 Ų164.178%0.77582%0.82SS**  trans-170.7130.7144.3-90.8-30.9000110.4
1080N26.3Very low27.8Very low150 Ų150165.5 Ų165.580%0.80282%0.824SS**  trans91.192.6175.3-50.1-26.2000115.8
1081I30.1Very low27.2Very low172 Ų172163.5 Ų163.588%0.88283%0.827SS**  -174.4138.595.8-83.9152.5000109
1082E27.4Very low27.1Very low181 Ų181162.7 Ų162.785%0.84683%0.829SS**  trans-78.1150.7-167.7-64.7166.7138.500115
1083L24Very low27Very low174 Ų174163.3 Ų163.391%0.91183%0.831SS**  trans-10.1127.3149.8-68.7142.7000118.8
1084S28.3Very low26.9Very low105 Ų105159.6 Ų159.673%0.73482%0.819SS**  -168.3122.3123.560.70000113.5
1085N27.3Very low26.8Very low144 Ų144159 Ų15977%0.7782%0.819SS**  trans57.4110.5140.4-66.67.9000119.4
1086E24.6Very low26.7Very low153 Ų153159.4 Ų159.472%0.71582%0.816SS**  104.1119.171.5-100.9-171-172.200111.1
1087Y27.9Very low26.6Very low207 Ų207159 Ų15981%0.81281%0.814SS**  trans60102.4165.1-60.5-77.2000119.6
1088S29.8Very low26.5Very low106 Ų106159.3 Ų159.374%0.74181%0.81SS**  trans174.1113.1130.4174.80000110.6
1089Q26.1Very low26.3Very low196 Ų196160 Ų16092%0.91682%0.815SS**  trans-75.5124.2164.3-74176.4-28.100109.2
1090T28.2Very low26.4Very low124 Ų124156.3 Ų156.376%0.76181%0.812SS**  trans-159.4117154.4-0.70000110.6K1092T1090-K1092 PolarHBondContact O-N 2.84Å
1091L24.4Very low26.5Very low175 Ų175155.1 Ų155.192%0.91682%0.815SS**  trans-63.7118.3170.3-87.3143.8000109.8
1092K26Very low26.6Very low193 Ų193154.1 Ų154.184%0.83981%0.811SS**  trans-112.9115.3163.7-93-177.5174.8178.40108.5T1090 S1094T1090-K1092 PolarHBondContact O-N 2.84Å; K1092-S1094 PolarHBondContact O-N 3.02Å
1093I26.5Very low27.2Very low171 Ų171152.1 Ų152.188%0.87781%0.806SS**  trans-85.5102.5162.8-64.6168.2000106.1
1094S24.2Very low28.4Very low94 Ų94151.1 Ų151.166%0.65780%0.797SS**  trans-110.5121.6168.448.80000109.4K1092 E1096K1092-S1094 PolarHBondContact O-N 3.02Å; S1094-E1096 PolarHBondContact O-N 2.8Å
1095H26.5Very low30.3Very low190 Ų190149.3 Ų149.388%0.8878%0.779SS**  trans-60.9110.1162.6-96.2-67.7000110.1
1096E25Very low32.4Very low165 Ų165145.2 Ų145.277%0.77176%0.76SS**  trans-141.7118.9155-77-170.2165.700110.3S1094S1094-E1096 PolarHBondContact O-N 2.8Å
1097Q24.4Very low35Very low173 Ų173138 Ų13881%0.80873%0.726SS**  trans52.5115.1134.7-64.6-180-16.600120.8
1098E26.6Very low37.2Very low176 Ų176131.2 Ų131.282%0.82270%0.703SS**SBend26.1123127.1-65.8179.9164.700118.7
1099N24.4Very low39.2Very low166 Ų166127.5 Ų127.589%0.88868%0.679SS**  trans93.686.9166.1-57-34.1000116.6
1100G26.5Very low41.6Very low68 Ų68120.1 Ų120.170%0.70164%0.644SS**  trans-162.382.4165.300000111.4L1102G1100-L1102 PolarHBondContact O-N 3.02Å; G1100-L1102 VanDerWaalsContact O-N 3.11Å
1101S29Very low43.8Very low125 Ų125114.7 Ų114.787%0.87461%0.61SS**  trans-67.993.4168.851.50000110.4
1102L30.6Very low46Very low150 Ų150112 Ų11279%0.78560%0.596SS**  trans-143111.2172-89.7145.3000109.4G1100G1100-L1102 PolarHBondContact O-N 3.02Å; G1100-L1102 VanDerWaalsContact O-N 3.11Å
1103D41.2Very low48Very low140 Ų140109.5 Ų109.575%0.74959%0.591SS**  trans52.182.8158.9-56.8-19.8000119.6
1104Q49.6Very low49.8Very low152 Ų152102.5 Ų102.571%0.7156%0.558SS**  trans-87.7122.3164.5-72.6-177.3-14.500110.7
1105D67.3Low51.4Low67 Ų67104.8 Ų104.836%0.35856%0.563SS.*  trans-48.8123.4168.9174.8-2000109.4F1107 M1108 A1109 K1153D1105-F1107 PolarHBondContact O-N 3.06Å; D1105-F1107 VanDerWaalsContact O-N 3.12Å; D1105-F1107 PolarHBondContact OD1-N 2.86Å; D1105-F1107 VanDerWaalsContact OD1-N 3.07Å; D1105-M1108 HydrophobicContact CB-CB 4.12Å; D1105-M1108 HydrophobicContact CB-CG 3.9Å; D1105-M1108 WeakPolarHBondContact O-CA 3.42Å; D1105-M1108 WeakPolarHBondContact O-CB 3.43Å; D1105-M1108 PolarHBondContact O-N 3.15Å; D1105-A1109 PolarHBondContact O-N 3.07Å; D1105-K1153 IonicContact OD1-NZ 2.55Å; D1105-K1153 IonicContact OD2-NZ 3.15Å; D1105-K1153 PolarHBondContact OD2-NZ 3.27Å
1106P72.3Confident53.1Low59 Ų5998.9 Ų98.938%0.38354%0.537SS..Hα-helixtrans-59.7-25.8-175.222.4-33.4000113.2K1110 T1130 A1133P1106-K1110 PolarHBondContact O-N 2.96Å; P1106-T1130 HydrophobicContact CB-CG2 3.84Å; P1106-A1133 HydrophobicContact CG-CB 3.71Å
1107F77.8Confident54.6Low1 Ų198.8 Ų98.80%0.00454%0.54CS..Hα-helixtrans-69.6-42.8171-177.8-93.2000111.9V1046 F1048 D1105 A1109 K1110 L1111 L1126 I1134 K1153V1046-F1107 HydrophobicContact CB-CZ 4.43Å; V1046-F1107 HydrophobicContact CG1-CZ 4.44Å; F1048-F1107 HydrophobicContact CB-CE2 4.4Å; F1048-F1107 HydrophobicContact CD1-CE2 4.47Å; D1105-F1107 PolarHBondContact O-N 3.06Å; D1105-F1107 VanDerWaalsContact O-N 3.12Å; D1105-F1107 PolarHBondContact OD1-N 2.86Å; D1105-F1107 VanDerWaalsContact OD1-N 3.07Å; F1107-A1109 VanDerWaalsContact C-N 3.32Å; F1107-A1109 PolarHBondContact O-N 3Å; F1107-K1110 PolarHBondContact O-N 3.28Å; F1107-L1111 HydrophobicContact CE1-CD1 3.77Å; F1107-L1111 HydrophobicContact CZ-CD1 4.22Å; F1107-L1111 WeakPolarHBondContact O-CB 3.46Å; F1107-L1111 PolarHBondContact O-N 2.91Å; F1107-L1126 HydrophobicContact CD2-CD1 4.01Å; F1107-L1126 HydrophobicContact CD2-CD2 3.69Å; F1107-L1126 HydrophobicContact CD2-CG 4.46Å; F1107-L1126 HydrophobicContact CE2-CD1 3.96Å; F1107-L1126 HydrophobicContact CE2-CD2 3.92Å; F1107-L1126 HydrophobicContact CE2-CG 4.4Å; F1107-I1134 HydrophobicContact CD2-CD1 3.88Å; F1107-K1153 HydrophobicContact CB-CD 4.13Å; F1107-K1153 VanDerWaalsContact CB-NZ 3.29Å; F1107-K1153 HydrophobicContact CD1-CD 3.46Å; F1107-K1153 VanDerWaalsContact CD1-CD 3.46Å; F1107-K1153 HydrophobicContact CD2-CD 3.66Å; F1107-K1153 HydrophobicContact CE1-CB 4.33Å; F1107-K1153 HydrophobicContact CE1-CD 3.63Å; F1107-K1153 HydrophobicContact CE2-CB 4.12Å; F1107-K1153 HydrophobicContact CE2-CD 3.83Å; F1107-K1153 HydrophobicContact CG-CD 3.46Å; F1107-K1153 VanDerWaalsContact CG-CD 3.46Å; F1107-K1153 HydrophobicContact CZ-CB 3.88Å; F1107-K1153 HydrophobicContact CZ-CD 3.81Å; F1107-K1153 HydrophobicContact CZ-CG 4.43Å
1108M75.4Confident56.3Low65 Ų6593 Ų9332%0.3252%0.518SS..Hα-helixtrans-65.6-35.9177.5-68.1-61.6-71.800111.9D1105 K1110 L1111 L1112 V1155D1105-M1108 HydrophobicContact CB-CB 4.12Å; D1105-M1108 HydrophobicContact CB-CG 3.9Å; D1105-M1108 WeakPolarHBondContact O-CA 3.42Å; D1105-M1108 WeakPolarHBondContact O-CB 3.43Å; D1105-M1108 PolarHBondContact O-N 3.15Å; M1108-K1110 VanDerWaalsContact C-N 3.34Å; M1108-K1110 PolarHBondContact O-N 2.97Å; M1108-L1111 HydrophobicContact CE-CD2 4.21Å; M1108-L1111 WeakPolarHBondContact O-CB 3.28Å; M1108-L1111 PolarHBondContact O-N 2.86Å; M1108-L1111 HydrophobicContact SD-CD2 4.07Å; M1108-L1112 WeakPolarHBondContact O-CG 3.39Å; M1108-L1112 PolarHBondContact O-N 2.48Å; M1108-V1155 HydrophobicContact SD-CG1 4.22Å
1109A72.2Confident58.3Low28 Ų2893.5 Ų93.523%0.23152%0.521CS..Hα-helixtrans-62.1-40.7173.500000112.1D1105 F1107 N1113D1105-A1109 PolarHBondContact O-N 3.07Å; F1107-A1109 VanDerWaalsContact C-N 3.32Å; F1107-A1109 PolarHBondContact O-N 3Å; A1109-N1113 PolarHBondContact O-N 2.92Å; A1109-N1113 PolarHBondContact O-ND2 2.7Å
1110K74.7Confident60.5Low41 Ų4189.9 Ų89.918%0.17851%0.508CS..Hα-helixtrans-69.5-37.7173.5-88-158.6162.8-152.80113.5P1106 F1107 M1108 L1112 N1113 S1114 Q1125 L1126 D1127 T1130P1106-K1110 PolarHBondContact O-N 2.96Å; F1107-K1110 PolarHBondContact O-N 3.28Å; M1108-K1110 VanDerWaalsContact C-N 3.34Å; M1108-K1110 PolarHBondContact O-N 2.97Å; K1110-L1112 VanDerWaalsContact C-N 3.32Å; K1110-L1112 PolarHBondContact O-N 3.02Å; K1110-N1113 PolarHBondContact O-N 3.01Å; K1110-S1114 PolarHBondContact O-N 2.89Å; K1110-Q1125 PolarHBondContact NZ-O 2.85Å; K1110-L1126 HydrophobicContact CD-CD2 3.88Å; K1110-D1127 WeakPolarHBondContact CE-OD1 3.24Å; K1110-D1127 WeakPolarHBondContact CE-OD2 3.4Å; K1110-D1127 IonicContact NZ-OD1 3.99Å; K1110-D1127 PolarHBondContact NZ-OD1 2.73Å; K1110-D1127 IonicContact NZ-OD2 3.01Å; K1110-D1127 PolarHBondContact NZ-OD2 3.09Å; K1110-D1127 VanDerWaalsContact NZ-OD2 3.09Å; K1110-T1130 HydrophobicContact CD-CG2 4.04Å; K1110-T1130 HydrophobicContact CG-CG2 4.37Å
1111L74.6Confident63Low9 Ų989 Ų895%0.04749%0.485CS..Hα-helixtrans-57.8-47.1176.5-159.596.9000110.7R1011 V1046 F1107 M1108 N1113 S1114 V1124R1011-L1111 HydrophobicContact CG-CD1 4.13Å; R1011-L1111 HydrophobicContact CG-CG 4.29Å; R1011-L1111 WeakPolarHBondContact O-CD2 3.41Å; V1046-L1111 HydrophobicContact CG1-CD1 3.94Å; V1046-L1111 HydrophobicContact CG2-CD1 4.45Å; F1107-L1111 HydrophobicContact CE1-CD1 3.77Å; F1107-L1111 HydrophobicContact CZ-CD1 4.22Å; F1107-L1111 WeakPolarHBondContact O-CB 3.46Å; F1107-L1111 PolarHBondContact O-N 2.91Å; M1108-L1111 HydrophobicContact CE-CD2 4.21Å; M1108-L1111 WeakPolarHBondContact O-CB 3.28Å; M1108-L1111 PolarHBondContact O-N 2.86Å; M1108-L1111 HydrophobicContact SD-CD2 4.07Å; L1111-N1113 VanDerWaalsContact C-N 3.34Å; L1111-N1113 PolarHBondContact O-N 2.82Å; L1111-S1114 PolarHBondContact O-N 2.7Å; L1111-S1114 PolarHBondContact O-OG 2.95Å; L1111-V1124 HydrophobicContact CD1-CG2 4.24Å
1112L71.1Confident65.5Low120 Ų12086.2 Ų86.263%0.62847%0.465SS*.Hα-helixtrans-65.7-32178.7-77.2160.8000113.5M1108 K1110M1108-L1112 WeakPolarHBondContact O-CG 3.39Å; M1108-L1112 PolarHBondContact O-N 2.48Å; K1110-L1112 VanDerWaalsContact C-N 3.32Å; K1110-L1112 PolarHBondContact O-N 3.02Å
1113N67.5Low67.9Low139 Ų13980.3 Ų80.374%0.74344%0.435SS*.Hα-helixtrans-86-5.5-179.6-74.8-19.8000114.1A1109 K1110 L1111A1109-N1113 PolarHBondContact O-N 2.92Å; A1109-N1113 PolarHBondContact O-ND2 2.7Å; K1110-N1113 PolarHBondContact O-N 3.01Å; L1111-N1113 VanDerWaalsContact C-N 3.34Å; L1111-N1113 PolarHBondContact O-N 2.82Å
1114S64.6Low69.9Low24 Ų2473.9 Ų73.917%0.16840%0.401CS..SBendtrans-73.6134.3-18068.10000111.5K1110 L1111 L1116K1110-S1114 PolarHBondContact O-N 2.89Å; L1111-S1114 PolarHBondContact O-N 2.7Å; L1111-S1114 PolarHBondContact O-OG 2.95Å; S1114-L1116 PolarHBondContact O-N 3.27Å
1115D58Low71.5Confident143 Ų14371.5 Ų71.577%0.76539%0.39SS*.  trans-62.995.2-177-87.8-28000111.9I1117D1115-I1117 PolarHBondContact O-N 3.1Å
1116L62.3Low72.2Confident66 Ų6668.3 Ų68.335%0.34637%0.373SS..THydrogen-bonded Turntrans-69.1-7.6-179.4-70.7164.1000113.9C1012 C1029 S1114C1012-L1116 HydrophobicContact CB-CD2 3.76Å; C1029-L1116 HydrophobicContact CB-CD2 3.61Å; S1114-L1116 PolarHBondContact O-N 3.27Å
1117I56.3Low72.7Confident163 Ų16368.2 Ų68.284%0.83637%0.369SS*.THydrogen-bonded Turntrans-103.20.1-167.5-53.6172.8000112.8D1115D1115-I1117 PolarHBondContact O-N 3.1Å
1118S61.5Low72.8Confident50 Ų5071.1 Ų71.135%0.3538%0.384SS..  trans-71.3146.2-175.558.90000114.4K1030 S1120K1030-S1118 PolarHBondContact NZ-O 3.36Å; S1118-S1120 VanDerWaalsContact C-N 3.26Å; S1118-S1120 PolarHBondContact O-N 3.44Å; S1118-S1120 PolarHBondContact OG-O 2.91Å; S1118-S1120 VanDerWaalsContact OG-O 3.13Å
1119E66.7Low73Confident188 Ų18873.1 Ų73.188%0.87940%0.4SS*.SBendtrans-67.1-25178.6-85.2-168.8168.900113.2K1030K1030-E1119 VanDerWaalsContact NZ-CA 3.27Å; K1030-E1119 PolarHBondContact NZ-O 2.97Å
1120S70.9Confident73.3Confident89 Ų8972.1 Ų72.162%0.62239%0.391SS*.SBendtrans-118.3138.7-179.161.50000111.3S1118S1118-S1120 VanDerWaalsContact C-N 3.26Å; S1118-S1120 PolarHBondContact O-N 3.44Å; S1118-S1120 PolarHBondContact OG-O 2.91Å; S1118-S1120 VanDerWaalsContact OG-O 3.13Å
1121Y79.9Confident73.5Confident51 Ų5170.1 Ų70.120%0.238%0.383CS..  trans-67131177.9167.1-106.9000111E1031 P1032 E1047 P1123E1031-Y1121 HydrophobicContact CB-CE2 4.22Å; E1031-Y1121 PolarHBondContact OE1-OH 3.44Å; E1031-Y1121 WeakPolarHBondContact OE2-CE2 3.36Å; E1031-Y1121 PolarHBondContact OE2-OH 3.09Å; P1032-Y1121 VanDerWaalsContact CD-CZ 3.45Å; P1032-Y1121 HydrophobicContact CG-CE1 4.31Å; E1047-Y1121 WeakPolarHBondContact CB-OH 3.45Å; E1047-Y1121 PolarHBondContact OE2-OH 2.91Å; Y1121-P1123 HydrophobicContact CE1-CG 3.87Å
1122S80.4Confident73.8Confident66 Ų6674.1 Ų74.146%0.46240%0.4SS..  trans-129.3131.6167.756.40000111R1011R1011-S1122 PolarHBondContact NH1-O 3.28Å; R1011-S1122 PolarHBondContact NH2-O 2.95Å; R1011-S1122 VanDerWaalsContact NH2-O 3.09Å
1123P81Confident74.1Confident25 Ų2570.2 Ų70.216%0.16238%0.384CS..PPolyproline II helixtrans-62.3157.7172.2-24.236.4000112E1047 I1049 Y1121 Q1125E1047-P1123 HydrophobicContact CB-CB 4.34Å; E1047-P1123 HydrophobicContact CG-CB 4.03Å; E1047-P1123 HydrophobicContact CG-CG 4.17Å; I1049-P1123 HydrophobicContact CB-CB 4.41Å; I1049-P1123 HydrophobicContact CD1-CB 3.79Å; I1049-P1123 HydrophobicContact CD1-CG 3.51Å; I1049-P1123 HydrophobicContact CG1-CB 3.78Å; I1049-P1123 HydrophobicContact CG1-CG 4.01Å; Y1121-P1123 HydrophobicContact CE1-CG 3.87Å; P1123-Q1125 PolarHBondContact O-N 3.15Å
1124V82.9Confident74.6Confident5 Ų563.8 Ų63.83%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-67.6122.6-178-178.70000109.9V1046 E1047 F1048 I1049 L1111 L1126V1046-V1124 HydrophobicContact CG1-CG2 4.4Å; E1047-V1124 PolarHBondContact O-N 3.46Å; F1048-V1124 CarbonylContact C-O 3.54Å; F1048-V1124 VanDerWaalsContact CA-O 3.28Å; F1048-V1124 WeakPolarHBondContact CA-O 3.27Å; F1048-V1124 HydrophobicContact CB-CB 4.44Å; F1048-V1124 WeakPolarHBondContact CB-O 3.32Å; I1049-V1124 PolarHBondContact N-O 2.83Å; L1111-V1124 HydrophobicContact CD1-CG2 4.24Å; V1124-L1126 HydrophobicContact CG1-CD2 4.05Å
1125Q85.1Confident75.4Confident103 Ų10364.3 Ų64.348%0.48135%0.354SS..EExtended strand (participates in β ladder)trans-80.4122.9174.2-107179.2-1900110.8I1049 K1110 P1123I1049-Q1125 VanDerWaalsContact O-CA 3.28Å; I1049-Q1125 WeakPolarHBondContact O-CA 3.35Å; K1110-Q1125 PolarHBondContact NZ-O 2.85Å; P1123-Q1125 PolarHBondContact O-N 3.15Å
1126L81.9Confident76.6Confident0 Ų061.2 Ų61.20%033%0.334CS..EExtended strand (participates in β ladder)trans-105138179.5-63.6-176.8000112.1F1048 I1049 E1051 F1107 K1110 V1124 L1131 I1134F1048-L1126 HydrophobicContact CB-CD1 3.91Å; F1048-L1126 HydrophobicContact CB-CG 4.06Å; F1048-L1126 HydrophobicContact CD1-CD1 4.25Å; F1048-L1126 HydrophobicContact CD2-CD1 3.39Å; F1048-L1126 HydrophobicContact CD2-CG 4.09Å; F1048-L1126 HydrophobicContact CE2-CD1 3.86Å; F1048-L1126 HydrophobicContact CG-CD1 3.6Å; F1048-L1126 HydrophobicContact CG-CG 4.26Å; F1048-L1126 HydrophobicContact CZ-CD1 4.44Å; I1049-L1126 PolarHBondContact O-N 3Å; E1051-L1126 PolarHBondContact N-O 2.81Å; F1107-L1126 HydrophobicContact CD2-CD1 4.01Å; F1107-L1126 HydrophobicContact CD2-CD2 3.69Å; F1107-L1126 HydrophobicContact CD2-CG 4.46Å; F1107-L1126 HydrophobicContact CE2-CD1 3.96Å; F1107-L1126 HydrophobicContact CE2-CD2 3.92Å; F1107-L1126 HydrophobicContact CE2-CG 4.4Å; K1110-L1126 HydrophobicContact CD-CD2 3.88Å; V1124-L1126 HydrophobicContact CG1-CD2 4.05Å; L1126-L1131 HydrophobicContact CB-CG 4.08Å; L1126-L1131 HydrophobicContact CD1-CD2 4.29Å; L1126-I1134 HydrophobicContact CD1-CD1 3.6Å
1127D82.3Confident77.4Confident57 Ų5765.3 Ų65.331%0.30536%0.356SS..  trans-83.6164.2174.8-42.5-35.4000108.1K1110 T1129 T1130 L1131K1110-D1127 WeakPolarHBondContact CE-OD1 3.24Å; K1110-D1127 WeakPolarHBondContact CE-OD2 3.4Å; K1110-D1127 IonicContact NZ-OD1 3.99Å; K1110-D1127 PolarHBondContact NZ-OD1 2.73Å; K1110-D1127 IonicContact NZ-OD2 3.01Å; K1110-D1127 PolarHBondContact NZ-OD2 3.09Å; K1110-D1127 VanDerWaalsContact NZ-OD2 3.09Å; D1127-T1129 PolarHBondContact O-N 3.17Å; D1127-T1130 PolarHBondContact N-OG1 2.78Å; D1127-T1130 PolarHBondContact O-N 3.17Å; D1127-T1130 PolarHBondContact O-OG1 3.18Å; D1127-T1130 VanDerWaalsContact O-OG1 3.1Å; D1127-L1131 PolarHBondContact O-N 2.76Å
1128I79.8Confident78.8Confident62 Ų6260 Ų6032%0.31833%0.328SS..Hα-helixtrans-55.4-37.3174.8-59.4169.2000111.8L1054 Y1062 L1131 K1132L1054-I1128 HydrophobicContact CD1-CG1 4.11Å; Y1062-I1128 HydrophobicContact CD1-CG2 4.43Å; Y1062-I1128 HydrophobicContact CE1-CG2 4.28Å; Y1062-I1128 HydrophobicContact CE2-CG2 4.42Å; I1128-L1131 PolarHBondContact O-N 3.31Å; I1128-K1132 WeakPolarHBondContact O-CG 3.31Å; I1128-K1132 PolarHBondContact O-N 3.35Å; I1128-K1132 VanDerWaalsContact O-N 3.15Å
1129T78.4Confident80Confident107 Ų10758.3 Ų58.366%0.65632%0.315SS*.Hα-helixtrans-66.3-37.2178.950.40000112.3D1127D1127-T1129 PolarHBondContact O-N 3.17Å
1130T79Confident81Confident6 Ų650.5 Ų50.54%0.03728%0.279CS..Hα-helixtrans-75.8-38.3177.210.20000111.2P1106 K1110 D1127 K1132 A1133 I1134P1106-T1130 HydrophobicContact CB-CG2 3.84Å; K1110-T1130 HydrophobicContact CD-CG2 4.04Å; K1110-T1130 HydrophobicContact CG-CG2 4.37Å; D1127-T1130 PolarHBondContact N-OG1 2.78Å; D1127-T1130 PolarHBondContact O-N 3.17Å; D1127-T1130 PolarHBondContact O-OG1 3.18Å; D1127-T1130 VanDerWaalsContact O-OG1 3.1Å; T1130-K1132 VanDerWaalsContact C-N 3.35Å; T1130-K1132 PolarHBondContact O-N 2.86Å; T1130-A1133 PolarHBondContact O-N 3.15Å; T1130-A1133 VanDerWaalsContact O-N 3.16Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.11Å; T1130-I1134 PolarHBondContact O-N 3.37Å
1131L80Confident81.8Confident0 Ų047.9 Ų47.90%026%0.258CS..Hα-helixtrans-59.1-41.6175.2-81.6159.2000112.7F1048 P1050 L1054 V1059 L1063 L1126 D1127 I1128 A1133 I1134F1048-L1131 HydrophobicContact CE2-CD2 3.92Å; P1050-L1131 HydrophobicContact CB-CD1 4.02Å; L1054-L1131 HydrophobicContact CD1-CD1 4.1Å; V1059-L1131 HydrophobicContact CG1-CD2 4.48Å; L1063-L1131 HydrophobicContact CD2-CD2 4.01Å; L1063-L1131 HydrophobicContact CG-CD2 4.28Å; L1126-L1131 HydrophobicContact CB-CG 4.08Å; L1126-L1131 HydrophobicContact CD1-CD2 4.29Å; D1127-L1131 PolarHBondContact O-N 2.76Å; I1128-L1131 PolarHBondContact O-N 3.31Å; L1131-A1133 VanDerWaalsContact C-N 3.28Å; L1131-A1133 PolarHBondContact O-N 2.71Å; L1131-I1134 PolarHBondContact O-N 2.98Å
1132K79.9Confident82.2Confident93 Ų9346.9 Ų46.940%0.40426%0.257SS..THydrogen-bonded Turntrans-71.5-19.1177.3-71.5-176175-176.70114.5Y1062 I1128 T1130Y1062-K1132 VanDerWaalsContact CD1-CE 3.45Å; Y1062-K1132 HydrophobicContact CD1-CG 4.36Å; I1128-K1132 WeakPolarHBondContact O-CG 3.31Å; I1128-K1132 PolarHBondContact O-N 3.35Å; I1128-K1132 VanDerWaalsContact O-N 3.15Å; T1130-K1132 VanDerWaalsContact C-N 3.35Å; T1130-K1132 PolarHBondContact O-N 2.86Å
1133A78.3Confident82.3Confident37 Ų3746.6 Ų46.631%0.30625%0.25SS..THydrogen-bonded Turntrans-86-13.9-179.900000112.5P1106 T1130 L1131P1106-A1133 HydrophobicContact CG-CB 3.71Å; T1130-A1133 PolarHBondContact O-N 3.15Å; T1130-A1133 VanDerWaalsContact O-N 3.16Å; L1131-A1133 VanDerWaalsContact C-N 3.28Å; L1131-A1133 PolarHBondContact O-N 2.71Å
1134I78.4Confident82.2Confident4 Ų447.5 Ų47.52%0.02125%0.254CS..SBendtrans-87.6133.1-177.6-64.1163.5000109.7L1063 F1107 L1126 T1130 L1131 V1139 K1153L1063-I1134 HydrophobicContact CD2-CB 4.49Å; F1107-I1134 HydrophobicContact CD2-CD1 3.88Å; L1126-I1134 HydrophobicContact CD1-CD1 3.6Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.11Å; T1130-I1134 PolarHBondContact O-N 3.37Å; L1131-I1134 PolarHBondContact O-N 2.98Å; I1134-V1139 HydrophobicContact CG2-CG2 3.44Å; I1134-V1139 VanDerWaalsContact CG2-CG2 3.44Å; I1134-K1153 HydrophobicContact CD1-CD 4.36Å; I1134-K1153 HydrophobicContact CG1-CD 4.37Å; I1134-K1153 HydrophobicContact CG2-CD 4.29Å; I1134-K1153 HydrophobicContact CG2-CG 4.28Å
1135S80.6Confident81.7Confident36 Ų3651 Ų5125%0.25228%0.277SS..  trans-67128.5171.8159.20000110.7N1137 E1138S1135-N1137 PolarHBondContact O-N 2.88Å; S1135-N1137 PolarHBondContact OG-N 3.49Å; S1135-E1138 WeakPolarHBondContact O-CB 3.42Å; S1135-E1138 PolarHBondContact O-N 2.78Å
1136F82Confident81.2Confident77 Ų7748.3 Ų48.334%0.33827%0.268SS..G310 helixtrans-55.5-35176.3-171.3-94.5000112.6L1060 L1063 Q1064 E1138 V1139 I1141L1060-F1136 HydrophobicContact CD2-CE2 4.2Å; L1063-F1136 HydrophobicContact CB-CD2 3.83Å; L1063-F1136 HydrophobicContact CB-CE2 4.39Å; Q1064-F1136 HydrophobicContact CG-CD2 3.84Å; Q1064-F1136 HydrophobicContact CG-CE2 3.93Å; F1136-E1138 PolarHBondContact O-N 2.88Å; F1136-V1139 PolarHBondContact O-N 3.35Å; F1136-I1141 HydrophobicContact CE2-CD1 4.45Å
1137N80.9Confident81Confident153 Ų15350.4 Ų50.482%0.81828%0.279SS*.G310 helixtrans-66.9-17.4179.9-65.5-14000112.9S1135S1135-N1137 PolarHBondContact O-N 2.88Å; S1135-N1137 PolarHBondContact OG-N 3.49Å
1138E83.6Confident80.9Confident51 Ų5156.9 Ų56.924%0.23831%0.305CS..G310 helixtrans-92.5-1.8177.3-61.3174.4-174.400112.1S1135 F1136 K1153 S1154 P1157S1135-E1138 WeakPolarHBondContact O-CB 3.42Å; S1135-E1138 PolarHBondContact O-N 2.78Å; F1136-E1138 PolarHBondContact O-N 2.88Å; E1138-K1153 CarbonylContact O-C 3.46Å; E1138-K1153 WeakPolarHBondContact O-CA 3.25Å; E1138-S1154 PolarHBondContact O-N 3.04Å; E1138-P1157 HydrophobicContact CG-CB 4.1Å
1139V87.4Confident81.2Confident14 Ų1455.7 Ų55.79%0.08530%0.301CS..EExtended strand (participates in β ladder)trans-109.8131.3-176-179.60000111.4F1048 L1063 I1134 F1136 I1141 Y1152F1048-V1139 HydrophobicContact CE1-CG1 4.1Å; F1048-V1139 HydrophobicContact CE1-CG2 4.41Å; F1048-V1139 HydrophobicContact CZ-CG1 3.9Å; F1048-V1139 HydrophobicContact CZ-CG2 4.4Å; L1063-V1139 HydrophobicContact CD1-CG1 4.06Å; L1063-V1139 HydrophobicContact CD2-CG2 3.99Å; I1134-V1139 HydrophobicContact CG2-CG2 3.44Å; I1134-V1139 VanDerWaalsContact CG2-CG2 3.44Å; F1136-V1139 PolarHBondContact O-N 3.35Å; V1139-I1141 HydrophobicContact CG1-CG1 4.19Å; V1139-Y1152 CarbonylContact C-O 3.51Å; V1139-Y1152 VanDerWaalsContact CA-O 3.32Å; V1139-Y1152 WeakPolarHBondContact CA-O 3.34Å
1140I87.4Confident81.6Confident24 Ų2455.9 Ų55.912%0.12329%0.289CS..EExtended strand (participates in β ladder)trans-112.3129.7177.1-56.7175.5000108.8I1045 Y1152 I1161 L1170I1045-I1140 HydrophobicContact CG2-CD1 4.16Å; I1140-Y1152 PolarHBondContact N-O 3.03Å; I1140-Y1152 PolarHBondContact O-N 3.49Å; I1140-I1161 HydrophobicContact CD1-CB 3.79Å; I1140-I1161 HydrophobicContact CD1-CD1 4.01Å; I1140-I1161 HydrophobicContact CD1-CG1 4.5Å; I1140-I1161 HydrophobicContact CD1-CG2 3.62Å; I1140-L1170 HydrophobicContact CG2-CD2 3.65Å
1141I88.9Confident82.2Confident34 Ų3456.2 Ų56.217%0.17429%0.29CS..EExtended strand (participates in β ladder)trans-116.8110.3-175.4-52.9-178.9000109.8L1060 F1136 V1139 N1143 Y1151 Q1163L1060-I1141 HydrophobicContact CD2-CD1 3.5Å; L1060-I1141 HydrophobicContact CG-CD1 4.5Å; F1136-I1141 HydrophobicContact CE2-CD1 4.45Å; V1139-I1141 HydrophobicContact CG1-CG1 4.19Å; I1141-N1143 HydrophobicContact CG2-CB 4.49Å; I1141-Y1151 HydrophobicContact CD1-CD1 4.38Å; I1141-Y1151 HydrophobicContact CD1-CE1 4.39Å; I1141-Y1151 HydrophobicContact CG1-CD1 4.06Å; I1141-Y1151 HydrophobicContact CG1-CE1 4.47Å; I1141-Y1151 HydrophobicContact CG2-CD1 4.27Å; I1141-Y1151 HydrophobicContact CG2-CE1 4.21Å; I1141-Q1163 PolarHBondContact O-OE1 3.39Å; I1141-Q1163 VanDerWaalsContact O-OE1 3.05Å
1142V86.9Confident82.7Confident30 Ų3056.6 Ų56.618%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-94.8104174.6178.60000108.6P1149 R1150 Y1152 H1168V1142-P1149 WeakPolarHBondContact O-CA 3.46Å; V1142-R1150 PolarHBondContact N-O 2.88Å; V1142-R1150 PolarHBondContact O-N 3.37Å; V1142-Y1152 HydrophobicContact CB-CE2 4.41Å; V1142-Y1152 HydrophobicContact CG2-CD2 4.25Å; V1142-Y1152 HydrophobicContact CG2-CE2 3.94Å; V1142-H1168 HydrophobicContact CG1-CB 4.1Å
1143N83.7Confident83.1Confident61 Ų6152.5 Ų52.533%0.32627%0.274SS..  trans-121.1113.8-179.4-171.910.6000110.6H1056 I1141 P1149 H1168H1056-N1143 PolarHBondContact NE2-ND2 3.16Å; I1141-N1143 HydrophobicContact CG2-CB 4.49Å; N1143-P1149 HydrophobicContact CB-CB 4.35Å; N1143-H1168 PolarHBondContact O-CE1 3.35Å; N1143-H1168 PolarHBondContact O-NE2 2.76Å
1144N79.2Confident83.6Confident43 Ų4351.1 Ų51.123%0.2326%0.262CS..  trans-136.583.7-177.9-158.37.3000110.1L1147 H1168N1144-L1147 VanDerWaalsContact O-CB 3.26Å; N1144-L1147 WeakPolarHBondContact O-CB 3.49Å; N1144-L1147 PolarHBondContact O-N 3.01Å; N1144-H1168 PolarHBondContact ND2-CD2 2.88Å; N1144-H1168 PolarHBondContact OD1-NE2 3.19Å
1145P72.6Confident83.9Confident80 Ų8052.7 Ų52.752%0.51927%0.272SS..THydrogen-bonded Turntrans-63.5139.7-170.922.1-30.7000112.7L874L874-P1145 WeakPolarHBondContact CD2-O 3.45Å
1146P73.7Confident84.1Confident46 Ų4654.6 Ų54.630%0.29928%0.279SS..THydrogen-bonded Turncis-94.51714.234.5-23.9000114.3L874 L877L874-P1146 HydrophobicContact CD2-CG 4.47Å; L877-P1146 HydrophobicContact CB-CG 3.89Å
1147L78.7Confident83.9Confident44 Ų4454.5 Ų54.523%0.2329%0.286CS..SBendtrans-71.5151176.7-60.8164000111.2L874 L891 Y894 N1144L874-L1147 HydrophobicContact CD2-CD1 4.41Å; L874-L1147 HydrophobicContact CD2-CG 4.43Å; L891-L1147 HydrophobicContact CD2-CD2 4.19Å; Y894-L1147 HydrophobicContact CD1-CD1 4.47Å; Y894-L1147 HydrophobicContact CE1-CD1 3.67Å; N1144-L1147 VanDerWaalsContact O-CB 3.26Å; N1144-L1147 WeakPolarHBondContact O-CB 3.49Å; N1144-L1147 PolarHBondContact O-N 3.01Å
1148K80.3Confident83.9Confident193 Ų19354.7 Ų54.784%0.83929%0.287SS*.PPolyproline II helixtrans-63134.7174.8-88.1-173.4174-173.10110.4
1149P84.6Confident84Confident37 Ų3754.4 Ų54.424%0.2429%0.288CS..PPolyproline II helixtrans-65.2142.2176.225.7-32.1000110.9H1056 V1142 N1143H1056-P1149 HydrophobicContact CB-CG 4.45Å; V1142-P1149 WeakPolarHBondContact O-CA 3.46Å; N1143-P1149 HydrophobicContact CB-CB 4.35Å
1150R87.7Confident84.1Confident110 Ų11056.6 Ų56.642%0.41531%0.305SS..EExtended strand (participates in β ladder)trans-113.6139.2177.1-58.6-178.983.7179.52.2109.8E1047 V1142 Y1152E1047-R1150 IonicContact OE1-CZ 2.81Å; E1047-R1150 IonicContact OE1-NE 2.64Å; E1047-R1150 PolarHBondContact OE1-NE 2.92Å; E1047-R1150 IonicContact OE1-NH2 3.78Å; E1047-R1150 PolarHBondContact OE1-NH2 2.97Å; E1047-R1150 IonicContact OE2-NH2 3.81Å; E1047-R1150 PolarHBondContact OE2-NH2 2.87Å; V1142-R1150 PolarHBondContact N-O 2.88Å; V1142-R1150 PolarHBondContact O-N 3.37Å; R1150-Y1152 HydrophobicContact CB-CE2 3.88Å; R1150-Y1152 VanDerWaalsContact CZ-OH 3.32Å; R1150-Y1152 PolarHBondContact NE-OH 3.27Å
1151Y90.5Very high84.2Confident13 Ų1357.1 Ų57.15%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-116.7136.5-177.6-50.1-90.1000110.7E1047 F1048 P1050 H1056 V1059 I1141E1047-Y1151 WeakPolarHBondContact CA-O 3.36Å; F1048-Y1151 HydrophobicContact CE2-CG 4.11Å; F1048-Y1151 VanDerWaalsContact CZ-CB 3.46Å; F1048-Y1151 HydrophobicContact CZ-CG 4.27Å; F1048-Y1151 PolarHBondContact N-O 2.84Å; P1050-Y1151 HydrophobicContact CG-CE2 4.17Å; H1056-Y1151 AromaticContact ND1-CE1 3.94Å; H1056-Y1151 AromaticContact ND1-CZ 3.64Å; H1056-Y1151 PolarHBondContact ND1-OH 2.82Å; V1059-Y1151 HydrophobicContact CG1-CD1 4.36Å; V1059-Y1151 HydrophobicContact CG1-CE1 3.75Å; I1141-Y1151 HydrophobicContact CD1-CD1 4.38Å; I1141-Y1151 HydrophobicContact CD1-CE1 4.39Å; I1141-Y1151 HydrophobicContact CG1-CD1 4.06Å; I1141-Y1151 HydrophobicContact CG1-CE1 4.47Å; I1141-Y1151 HydrophobicContact CG2-CD1 4.27Å; I1141-Y1151 HydrophobicContact CG2-CE1 4.21Å
1152Y90.7Very high84.3Confident9 Ų957.3 Ų57.34%0.03531%0.31CS..EExtended strand (participates in β ladder)trans-130.1136.7179.8-59.7-75.5000110.2I1034 I1045 V1046 E1047 V1139 I1140 V1142 R1150I1034-Y1152 HydrophobicContact CD1-CD1 3.63Å; I1034-Y1152 HydrophobicContact CD1-CE1 3.05Å; I1034-Y1152 HydrophobicContact CD1-CE2 4.1Å; I1034-Y1152 HydrophobicContact CD1-CG 4.36Å; I1034-Y1152 HydrophobicContact CG1-CE1 4.45Å; I1045-Y1152 HydrophobicContact CD1-CD1 4.47Å; I1045-Y1152 HydrophobicContact CD1-CG 4.29Å; V1046-Y1152 WeakPolarHBondContact O-CA 3.34Å; E1047-Y1152 HydrophobicContact CB-CD1 3.9Å; E1047-Y1152 HydrophobicContact CB-CE1 3.63Å; E1047-Y1152 HydrophobicContact CG-CD1 4.2Å; E1047-Y1152 HydrophobicContact CG-CE1 3.68Å; V1139-Y1152 CarbonylContact C-O 3.51Å; V1139-Y1152 VanDerWaalsContact CA-O 3.32Å; V1139-Y1152 WeakPolarHBondContact CA-O 3.34Å; I1140-Y1152 PolarHBondContact N-O 3.03Å; I1140-Y1152 PolarHBondContact O-N 3.49Å; V1142-Y1152 HydrophobicContact CB-CE2 4.41Å; V1142-Y1152 HydrophobicContact CG2-CD2 4.25Å; V1142-Y1152 HydrophobicContact CG2-CE2 3.94Å; R1150-Y1152 HydrophobicContact CB-CE2 3.88Å; R1150-Y1152 VanDerWaalsContact CZ-OH 3.32Å; R1150-Y1152 PolarHBondContact NE-OH 3.27Å
1153K89Confident84.4Confident6 Ų658.3 Ų58.33%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-103.4132.6170.2-171.4-166.5172.9-174.30109.5I1045 V1046 F1048 D1105 F1107 I1134 E1138I1045-K1153 CarbonylContact C-O 3.57Å; I1045-K1153 VanDerWaalsContact CA-O 3.26Å; I1045-K1153 WeakPolarHBondContact CA-O 3.48Å; V1046-K1153 PolarHBondContact N-O 3.27Å; V1046-K1153 PolarHBondContact O-N 3.42Å; F1048-K1153 HydrophobicContact CD1-CB 4.09Å; F1048-K1153 HydrophobicContact CE1-CB 4.05Å; D1105-K1153 IonicContact OD1-NZ 2.55Å; D1105-K1153 IonicContact OD2-NZ 3.15Å; D1105-K1153 PolarHBondContact OD2-NZ 3.27Å; F1107-K1153 HydrophobicContact CB-CD 4.13Å; F1107-K1153 VanDerWaalsContact CB-NZ 3.29Å; F1107-K1153 HydrophobicContact CD1-CD 3.46Å; F1107-K1153 VanDerWaalsContact CD1-CD 3.46Å; F1107-K1153 HydrophobicContact CD2-CD 3.66Å; F1107-K1153 HydrophobicContact CE1-CB 4.33Å; F1107-K1153 HydrophobicContact CE1-CD 3.63Å; F1107-K1153 HydrophobicContact CE2-CB 4.12Å; F1107-K1153 HydrophobicContact CE2-CD 3.83Å; F1107-K1153 HydrophobicContact CG-CD 3.46Å; F1107-K1153 VanDerWaalsContact CG-CD 3.46Å; F1107-K1153 HydrophobicContact CZ-CB 3.88Å; F1107-K1153 HydrophobicContact CZ-CD 3.81Å; F1107-K1153 HydrophobicContact CZ-CG 4.43Å; I1134-K1153 HydrophobicContact CD1-CD 4.36Å; I1134-K1153 HydrophobicContact CG1-CD 4.37Å; I1134-K1153 HydrophobicContact CG2-CD 4.29Å; I1134-K1153 HydrophobicContact CG2-CG 4.28Å; E1138-K1153 CarbonylContact O-C 3.46Å; E1138-K1153 WeakPolarHBondContact O-CA 3.25Å
1154S89.3Confident84.7Confident9 Ų955.7 Ų55.76%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-72.8124167.3-1700000110.7P1044 E1138 L1156P1044-S1154 WeakPolarHBondContact O-CA 3.4Å; E1138-S1154 PolarHBondContact O-N 3.04Å; S1154-L1156 PolarHBondContact OG-O 3.05Å; S1154-L1156 VanDerWaalsContact OG-O 3.08Å
1155V85.4Confident84.9Confident37 Ų3760.8 Ų60.822%0.22433%0.325CS..SBendtrans-86.4-20.7177.2-168.90000110.8P1044 V1046 M1108P1044-V1155 PolarHBondContact O-N 3.29Å; V1046-V1155 HydrophobicContact CB-CG2 4.37Å; V1046-V1155 HydrophobicContact CG2-CG2 3.6Å; M1108-V1155 HydrophobicContact SD-CG1 4.22Å
1156L84.5Confident85.6Confident76 Ų7660.3 Ų60.340%0.39832%0.32SS..  trans-120.487.9174.4-66.1175.3000108.6Y1010 P1044 S1154 D1158 V1159Y1010-L1156 HydrophobicContact CE1-CD1 3.99Å; P1044-L1156 HydrophobicContact CB-CB 3.88Å; P1044-L1156 HydrophobicContact CB-CD1 3.8Å; P1044-L1156 HydrophobicContact CB-CG 3.96Å; P1044-L1156 HydrophobicContact CG-CB 4.01Å; P1044-L1156 HydrophobicContact CG-CD1 4.37Å; S1154-L1156 PolarHBondContact OG-O 3.05Å; S1154-L1156 VanDerWaalsContact OG-O 3.08Å; L1156-D1158 PolarHBondContact O-N 2.99Å; L1156-D1158 VanDerWaalsContact O-N 3.14Å; L1156-V1159 HydrophobicContact CB-CG2 4.05Å; L1156-V1159 WeakPolarHBondContact O-CB 3.31Å; L1156-V1159 PolarHBondContact O-N 2.85Å; L1156-V1159 VanDerWaalsContact O-N 3.08Å
1157P77.6Confident86.2Confident74 Ų7458.5 Ų58.548%0.48131%0.309SS..THydrogen-bonded Turntrans-63.6-18.7-175.823.2-32.3000113.9E1138 V1159E1138-P1157 HydrophobicContact CG-CB 4.1Å; P1157-V1159 PolarHBondContact O-N 2.67Å
1158D81.4Confident86.7Confident158 Ų15858.3 Ų58.385%0.84531%0.306SS*.THydrogen-bonded Turntrans-68.6-14.8175.7-58-26.8000113L1156L1156-D1158 PolarHBondContact O-N 2.99Å; L1156-D1158 VanDerWaalsContact O-N 3.14Å
1159V84.2Confident87.2Confident44 Ų4450.5 Ų50.527%0.26727%0.272SS..SBendtrans-97.4112.4-178.4177.70000109.9P1044 L1156 P1157 I1161 Y1172P1044-V1159 HydrophobicContact CG-CB 4Å; P1044-V1159 HydrophobicContact CG-CG1 3.95Å; P1044-V1159 HydrophobicContact CG-CG2 4.27Å; L1156-V1159 HydrophobicContact CB-CG2 4.05Å; L1156-V1159 WeakPolarHBondContact O-CB 3.31Å; L1156-V1159 PolarHBondContact O-N 2.85Å; L1156-V1159 VanDerWaalsContact O-N 3.08Å; P1157-V1159 PolarHBondContact O-N 2.67Å; V1159-I1161 HydrophobicContact CG1-CG1 4.44Å; V1159-Y1172 HydrophobicContact CG1-CD1 3.87Å; V1159-Y1172 HydrophobicContact CG1-CE1 3.39Å
1160S89.4Confident87.5Confident61 Ų6149.2 Ų49.243%0.42726%0.263SS..  trans-80.6123.1-177.957.70000112.7T1173S1160-T1173 VanDerWaalsContact CB-OG1 3.23Å; S1160-T1173 WeakPolarHBondContact CB-OG1 3.3Å; S1160-T1173 PolarHBondContact O-N 2.99Å; S1160-T1173 VanDerWaalsContact O-N 3.09Å; S1160-T1173 PolarHBondContact O-OG1 3.21Å; S1160-T1173 WeakPolarHBondContact OG-CB 3.46Å; S1160-T1173 PolarHBondContact OG-OG1 2.84Å
1161I90.8Very high87.8Confident34 Ų3444 Ų4417%0.17424%0.244CC..EExtended strand (participates in β ladder)trans-120.6133-177.3-54.8172.5000110.1L1043 I1045 I1140 V1159 L1170 F1171 T1173L1043-I1161 HydrophobicContact CB-CD1 4.32Å; L1043-I1161 HydrophobicContact CD1-CG2 4.05Å; L1043-I1161 HydrophobicContact CD2-CD1 4.12Å; L1043-I1161 HydrophobicContact CD2-CG1 4.13Å; I1045-I1161 HydrophobicContact CG2-CD1 3.54Å; I1140-I1161 HydrophobicContact CD1-CB 3.79Å; I1140-I1161 HydrophobicContact CD1-CD1 4.01Å; I1140-I1161 HydrophobicContact CD1-CG1 4.5Å; I1140-I1161 HydrophobicContact CD1-CG2 3.62Å; V1159-I1161 HydrophobicContact CG1-CG1 4.44Å; I1161-L1170 HydrophobicContact CG2-CB 4.38Å; I1161-L1170 HydrophobicContact CG2-CD2 4.28Å; I1161-F1171 WeakPolarHBondContact CA-O 3.29Å; I1161-F1171 WeakPolarHBondContact CG2-O 3.44Å; I1161-T1173 PolarHBondContact N-OG1 2.94Å
1162T89.8Confident87.9Confident38 Ų3845.3 Ų45.323%0.23325%0.249CC..EExtended strand (participates in β ladder)trans-117.4140.7179.5-52.80000111.3L1170 F1171 T1173 Y1176T1162-L1170 WeakPolarHBondContact O-CA 3.38Å; T1162-F1171 PolarHBondContact N-O 3.45Å; T1162-F1171 PolarHBondContact O-N 3.13Å; T1162-T1173 WeakPolarHBondContact OG1-CA 3.08Å; T1162-T1173 WeakPolarHBondContact OG1-CB 3.43Å; T1162-T1173 VanDerWaalsContact OG1-CG2 3.28Å; T1162-T1173 WeakPolarHBondContact OG1-CG2 3.14Å; T1162-T1173 PolarHBondContact OG1-OG1 3.44Å; T1162-Y1176 HydrophobicContact CG2-CD1 3.93Å; T1162-Y1176 HydrophobicContact CG2-CE1 4.2Å
1163Q90.3Very high87.8Confident51 Ų5146 Ų4624%0.23825%0.254CS..EExtended strand (participates in β ladder)trans-108.6136174.9-174.4-177.3-18.100110.9I1141 H1168 K1169 L1170I1141-Q1163 PolarHBondContact O-OE1 3.39Å; I1141-Q1163 VanDerWaalsContact O-OE1 3.05Å; Q1163-H1168 PolarHBondContact NE2-ND1 2.86Å; Q1163-K1169 WeakPolarHBondContact CA-O 3.38Å; Q1163-L1170 HydrophobicContact CB-CD2 3.71Å; Q1163-L1170 HydrophobicContact CG-CD2 3.97Å
1164C88.9Confident87.8Confident6 Ų651.2 Ų51.24%0.04128%0.282CS..  trans-75.4137.3170.6179.40000111.4V1166 C1167 H1168 K1169 F1171C1164-V1166 PolarHBondContact O-N 2.7Å; C1164-C1167 VanDerWaalsContact CB-SG 3.52Å; C1164-C1167 VanDerWaalsContact SG-SG 3.61Å; C1164-H1168 WeakPolarHBondContact O-CA 3.32Å; C1164-H1168 PolarHBondContact O-N 3.22Å; C1164-K1169 PolarHBondContact N-O 3.45Å; C1164-F1171 HydrophobicContact CB-CE2 4.11Å
1165I84.4Confident87.8Confident151 Ų15153.2 Ų53.277%0.77429%0.292SS*.THydrogen-bonded Turntrans-69.4-33-175.3-48.9165.1000112H1168I1165-H1168 PolarHBondContact O-CE1 2.81Å
1166V85.9Confident88Confident69 Ų6951.8 Ų51.842%0.41828%0.283SS..THydrogen-bonded Turntrans-92.6-48-173.1-177.80000112.3W867 C1164 T1191W867-V1166 HydrophobicContact CH2-CG1 3.89Å; W867-V1166 HydrophobicContact CZ2-CG1 3.83Å; C1164-V1166 PolarHBondContact O-N 2.7Å; V1166-T1191 HydrophobicContact CG1-CG2 4.17Å; V1166-T1191 HydrophobicContact CG2-CG2 4.28Å
1167C87.2Confident88.1Confident9 Ų952.8 Ų52.86%0.06129%0.285CS..THydrogen-bonded Turntrans-96-8.4-178.369.50000114W867 C1164 K1169 Y1188 C1189W867-C1167 HydrophobicContact CZ2-CB 4.44Å; C1164-C1167 VanDerWaalsContact CB-SG 3.52Å; C1164-C1167 VanDerWaalsContact SG-SG 3.61Å; C1167-K1169 HydrophobicContact CB-CG 4.46Å; C1167-K1169 PolarHBondContact O-N 2.93Å; C1167-Y1188 HydrophobicContact CB-CD1 3.86Å; C1167-Y1188 HydrophobicContact CB-CE1 4.34Å; C1167-C1189 HydrophobicContact CB-CB 3.83Å
1168H88.7Confident88.6Confident40 Ų4054.2 Ų54.219%0.18529%0.288CS..  trans55.417.4-178.8-53.2-75.2000115.9V1142 N1143 N1144 Q1163 C1164 I1165V1142-H1168 HydrophobicContact CG1-CB 4.1Å; N1143-H1168 PolarHBondContact O-CE1 3.35Å; N1143-H1168 PolarHBondContact O-NE2 2.76Å; N1144-H1168 PolarHBondContact ND2-CD2 2.88Å; N1144-H1168 PolarHBondContact OD1-NE2 3.19Å; Q1163-H1168 PolarHBondContact NE2-ND1 2.86Å; C1164-H1168 WeakPolarHBondContact O-CA 3.32Å; C1164-H1168 PolarHBondContact O-N 3.22Å; I1165-H1168 PolarHBondContact O-CE1 2.81Å
1169K90.3Very high88.8Confident29 Ų2948 Ų4813%0.12626%0.255CS..  trans-74150.9170.9-64.9-61.1-168.71780111D902 F1037 Q1163 C1164 C1167 F1171 Y1188D902-K1169 WeakPolarHBondContact OD1-CE 3.24Å; D902-K1169 IonicContact OD1-NZ 3.02Å; D902-K1169 PolarHBondContact OD1-NZ 2.75Å; D902-K1169 IonicContact OD2-NZ 3.88Å; D902-K1169 PolarHBondContact OD2-NZ 3.37Å; F1037-K1169 HydrophobicContact CD1-CD 4.39Å; F1037-K1169 HydrophobicContact CD2-CB 4.5Å; F1037-K1169 HydrophobicContact CD2-CD 3.93Å; F1037-K1169 HydrophobicContact CE1-CD 4.25Å; F1037-K1169 HydrophobicContact CE2-CD 3.78Å; F1037-K1169 HydrophobicContact CG-CB 4.48Å; F1037-K1169 HydrophobicContact CG-CD 4.24Å; F1037-K1169 HydrophobicContact CG-CG 4.44Å; F1037-K1169 HydrophobicContact CZ-CD 3.96Å; F1037-K1169 VanDerWaalsContact CZ-NZ 3.29Å; Q1163-K1169 WeakPolarHBondContact CA-O 3.38Å; C1164-K1169 PolarHBondContact N-O 3.45Å; C1167-K1169 HydrophobicContact CB-CG 4.46Å; C1167-K1169 PolarHBondContact O-N 2.93Å; K1169-F1171 HydrophobicContact CB-CE2 3.79Å; K1169-F1171 HydrophobicContact CB-CZ 3.73Å; K1169-F1171 VanDerWaalsContact O-CE2 3.31Å; K1169-F1171 WeakPolarHBondContact O-CE2 3.39Å; K1169-Y1188 HydrophobicContact CG-CD1 4.27Å; K1169-Y1188 HydrophobicContact CG-CE1 4.44Å; K1169-Y1188 HydrophobicContact CG-CG 4.32Å
1170L92.6Very high88.8Confident9 Ų946.5 Ų46.55%0.04725%0.247CC..EExtended strand (participates in β ladder)trans-103.9146.6-178.1-62.7170000111I1034 S1036 F1037 L1043 I1045 I1140 I1161 T1162 Q1163I1034-L1170 HydrophobicContact CG2-CD1 3.84Å; S1036-L1170 WeakPolarHBondContact CA-O 3.21Å; F1037-L1170 PolarHBondContact N-O 2.99Å; F1037-L1170 VanDerWaalsContact N-O 3.07Å; L1043-L1170 HydrophobicContact CD1-CB 3.69Å; L1043-L1170 HydrophobicContact CD1-CD1 4.35Å; I1045-L1170 HydrophobicContact CD1-CD1 3.79Å; I1140-L1170 HydrophobicContact CG2-CD2 3.65Å; I1161-L1170 HydrophobicContact CG2-CB 4.38Å; I1161-L1170 HydrophobicContact CG2-CD2 4.28Å; T1162-L1170 WeakPolarHBondContact O-CA 3.38Å; Q1163-L1170 HydrophobicContact CB-CD2 3.71Å; Q1163-L1170 HydrophobicContact CG-CD2 3.97Å
1171F92.7Very high88.6Confident0 Ų050.7 Ų50.70%026%0.263CS..EExtended strand (participates in β ladder)trans-146.5155-176.4-53.2-85.5000110.2F1037 I1038 I1161 T1162 C1164 K1169 Y1176F1037-F1171 HydrophobicContact CB-CD1 3.99Å; F1037-F1171 HydrophobicContact CB-CE1 3.41Å; F1037-F1171 VanDerWaalsContact CB-CE1 3.41Å; F1037-F1171 HydrophobicContact CB-CZ 4.05Å; I1038-F1171 HydrophobicContact CD1-CD1 3.76Å; I1038-F1171 HydrophobicContact CD1-CE1 4.39Å; I1038-F1171 HydrophobicContact CD1-CG 4.47Å; I1038-F1171 HydrophobicContact CG1-CD1 3.77Å; I1038-F1171 HydrophobicContact CG1-CE1 4.11Å; I1161-F1171 WeakPolarHBondContact CA-O 3.29Å; I1161-F1171 WeakPolarHBondContact CG2-O 3.44Å; T1162-F1171 PolarHBondContact N-O 3.45Å; T1162-F1171 PolarHBondContact O-N 3.13Å; C1164-F1171 HydrophobicContact CB-CE2 4.11Å; K1169-F1171 HydrophobicContact CB-CE2 3.79Å; K1169-F1171 HydrophobicContact CB-CZ 3.73Å; K1169-F1171 VanDerWaalsContact O-CE2 3.31Å; K1169-F1171 WeakPolarHBondContact O-CE2 3.39Å; F1171-Y1176 HydrophobicContact CB-CD2 4.38Å; F1171-Y1176 HydrophobicContact CB-CG 4.22Å; F1171-Y1176 HydrophobicContact CD1-CD2 4.35Å; F1171-Y1176 AromaticContact CD2-CD2 3.71Å; F1171-Y1176 HydrophobicContact CD2-CD2 3.71Å; F1171-Y1176 HydrophobicContact CD2-CE2 4.13Å; F1171-Y1176 HydrophobicContact CD2-CG 4.15Å; F1171-Y1176 HydrophobicContact CE2-CD2 4.03Å; F1171-Y1176 HydrophobicContact CE2-CE2 4.07Å; F1171-Y1176 AromaticContact CG-CD2 3.89Å; F1171-Y1176 HydrophobicContact CG-CD2 3.89Å; F1171-Y1176 HydrophobicContact CG-CG 4.21Å; F1171-Y1176 HydrophobicContact CZ-CD2 4.46Å
1172Y92.6Very high88.3Confident42 Ų4256.2 Ų56.217%0.16529%0.288CS..EExtended strand (participates in β ladder)trans-62.9140.5157.7-72-65.6000109.6S1036 N1039 E1041 L1043 V1159 D1174 D1175 Y1176S1036-Y1172 PolarHBondContact OG-N 3.26Å; N1039-Y1172 VanDerWaalsContact ND2-CD2 3.31Å; N1039-Y1172 WeakPolarHBondContact ND2-CD2 3.16Å; N1039-Y1172 WeakPolarHBondContact ND2-CE2 3.4Å; E1041-Y1172 HydrophobicContact CB-CE2 3.94Å; E1041-Y1172 WeakPolarHBondContact OE2-CE2 3.45Å; E1041-Y1172 PolarHBondContact OE2-OH 3.33Å; L1043-Y1172 HydrophobicContact CD2-CD1 4.06Å; L1043-Y1172 HydrophobicContact CD2-CE1 3.8Å; L1043-Y1172 HydrophobicContact CD2-CE2 4.32Å; L1043-Y1172 HydrophobicContact CD2-CG 4.42Å; V1159-Y1172 HydrophobicContact CG1-CD1 3.87Å; V1159-Y1172 HydrophobicContact CG1-CE1 3.39Å; Y1172-D1174 PolarHBondContact O-N 3.23Å; Y1172-D1175 PolarHBondContact O-N 3.2Å; Y1172-Y1176 WeakPolarHBondContact O-CB 3.23Å; Y1172-Y1176 PolarHBondContact O-N 3.34Å; Y1172-Y1176 VanDerWaalsContact O-N 3.1Å
1173T89.4Confident88Confident23 Ų2358.6 Ų58.614%0.14130%0.297CS..Hα-helixtrans-61-48.9-172.2-51.90000111.5S1160 I1161 T1162 D1175 Y1176 E1177S1160-T1173 VanDerWaalsContact CB-OG1 3.23Å; S1160-T1173 WeakPolarHBondContact CB-OG1 3.3Å; S1160-T1173 PolarHBondContact O-N 2.99Å; S1160-T1173 VanDerWaalsContact O-N 3.09Å; S1160-T1173 PolarHBondContact O-OG1 3.21Å; S1160-T1173 WeakPolarHBondContact OG-CB 3.46Å; S1160-T1173 PolarHBondContact OG-OG1 2.84Å; I1161-T1173 PolarHBondContact N-OG1 2.94Å; T1162-T1173 WeakPolarHBondContact OG1-CA 3.08Å; T1162-T1173 WeakPolarHBondContact OG1-CB 3.43Å; T1162-T1173 VanDerWaalsContact OG1-CG2 3.28Å; T1162-T1173 WeakPolarHBondContact OG1-CG2 3.14Å; T1162-T1173 PolarHBondContact OG1-OG1 3.44Å; T1173-D1175 PolarHBondContact O-N 3.36Å; T1173-Y1176 PolarHBondContact O-N 3.11Å; T1173-E1177 WeakPolarHBondContact O-CG 3.35Å; T1173-E1177 PolarHBondContact O-N 2.79Å
1174D89.1Confident87.7Confident115 Ų11558.1 Ų58.162%0.61531%0.305SS*.Hα-helixtrans-63.1-43.6-175.5-58-5.1000111.9Y1172 L1178Y1172-D1174 PolarHBondContact O-N 3.23Å; D1174-L1178 WeakPolarHBondContact O-CB 3.2Å; D1174-L1178 PolarHBondContact O-N 3.3Å; D1174-L1178 VanDerWaalsContact O-N 3.07Å
1175D88.4Confident87.6Confident51 Ų5161.3 Ų61.327%0.27332%0.317SS..Hα-helixtrans-65.3-42.6178.6-73.6-18.8000111.8I1038 N1039 Y1172 T1173 I1179I1038-D1175 HydrophobicContact CB-CB 4.47Å; I1038-D1175 HydrophobicContact CD1-CB 3.83Å; I1038-D1175 HydrophobicContact CG2-CB 4.3Å; N1039-D1175 PolarHBondContact ND2-OD2 2.8Å; Y1172-D1175 PolarHBondContact O-N 3.2Å; T1173-D1175 PolarHBondContact O-N 3.36Å; D1175-I1179 PolarHBondContact O-N 3.39Å; D1175-I1179 VanDerWaalsContact O-N 3.13Å
1176Y89.2Confident87.7Confident8 Ų854.2 Ų54.23%0.03128%0.281CS..Hα-helixtrans-66.9-43.2-179.6179.8-115.5000112T1162 F1171 Y1172 T1173 S1180 K1193T1162-Y1176 HydrophobicContact CG2-CD1 3.93Å; T1162-Y1176 HydrophobicContact CG2-CE1 4.2Å; F1171-Y1176 HydrophobicContact CB-CD2 4.38Å; F1171-Y1176 HydrophobicContact CB-CG 4.22Å; F1171-Y1176 HydrophobicContact CD1-CD2 4.35Å; F1171-Y1176 AromaticContact CD2-CD2 3.71Å; F1171-Y1176 HydrophobicContact CD2-CD2 3.71Å; F1171-Y1176 HydrophobicContact CD2-CE2 4.13Å; F1171-Y1176 HydrophobicContact CD2-CG 4.15Å; F1171-Y1176 HydrophobicContact CE2-CD2 4.03Å; F1171-Y1176 HydrophobicContact CE2-CE2 4.07Å; F1171-Y1176 AromaticContact CG-CD2 3.89Å; F1171-Y1176 HydrophobicContact CG-CD2 3.89Å; F1171-Y1176 HydrophobicContact CG-CG 4.21Å; F1171-Y1176 HydrophobicContact CZ-CD2 4.46Å; Y1172-Y1176 WeakPolarHBondContact O-CB 3.23Å; Y1172-Y1176 PolarHBondContact O-N 3.34Å; Y1172-Y1176 VanDerWaalsContact O-N 3.1Å; T1173-Y1176 PolarHBondContact O-N 3.11Å; Y1176-S1180 VanDerWaalsContact O-CB 3.24Å; Y1176-S1180 WeakPolarHBondContact O-CB 3.21Å; Y1176-S1180 PolarHBondContact O-N 2.9Å; Y1176-S1180 PolarHBondContact O-OG 2.78Å; Y1176-K1193 VanDerWaalsContact CE1-CE 3.44Å
1177E87.8Confident87.7Confident97 Ų9751.2 Ų51.245%0.45326%0.263SS..Hα-helixtrans-62.3-47176.9-72.6-172.5172.900111.2T1173 I1179 S1180 L1181T1173-E1177 WeakPolarHBondContact O-CG 3.35Å; T1173-E1177 PolarHBondContact O-N 2.79Å; E1177-I1179 PolarHBondContact O-N 3.02Å; E1177-S1180 PolarHBondContact O-N 2.77Å; E1177-S1180 PolarHBondContact O-OG 3.4Å; E1177-L1181 WeakPolarHBondContact O-CB 3.48Å; E1177-L1181 WeakPolarHBondContact O-CD1 3.14Å; E1177-L1181 WeakPolarHBondContact O-CG 3.31Å; E1177-L1181 PolarHBondContact O-N 2.92Å
1178L88.3Confident87.8Confident103 Ų10351.1 Ų51.154%0.53926%0.261SS..Hα-helixtrans-55.5-50.4178.5-172.184.6000112.3D1174 L1181 Q1182D1174-L1178 WeakPolarHBondContact O-CB 3.2Å; D1174-L1178 PolarHBondContact O-N 3.3Å; D1174-L1178 VanDerWaalsContact O-N 3.07Å; L1178-L1181 PolarHBondContact O-N 3.3Å; L1178-Q1182 PolarHBondContact O-N 3.46Å
1179I84.8Confident87.7Confident27 Ų2749.2 Ų49.214%0.13825%0.253CS..Hα-helixtrans-72.4-39.2-177.3-65.3-174.4000111.3I1038 D1175 E1177 L1181 Q1182 Q1183 P1187I1038-I1179 HydrophobicContact CB-CD1 4.38Å; I1038-I1179 HydrophobicContact CD1-CD1 3.83Å; I1038-I1179 HydrophobicContact CD1-CG1 4.46Å; I1038-I1179 HydrophobicContact CG1-CD1 3.88Å; I1038-I1179 HydrophobicContact CG2-CD1 3.58Å; D1175-I1179 PolarHBondContact O-N 3.39Å; D1175-I1179 VanDerWaalsContact O-N 3.13Å; E1177-I1179 PolarHBondContact O-N 3.02Å; I1179-L1181 PolarHBondContact O-N 2.81Å; I1179-Q1182 PolarHBondContact O-N 2.79Å; I1179-Q1183 HydrophobicContact CG2-CG 4.46Å; I1179-Q1183 PolarHBondContact O-N 3.48Å; I1179-P1187 HydrophobicContact CG2-CB 3.78Å; I1179-P1187 HydrophobicContact CG2-CG 3.98Å
1180S83.9Confident87.5Confident14 Ų1450.2 Ų50.210%0.09826%0.258CS..Hα-helixtrans-61.5-34.817775.60000111.9Y1176 E1177 G1184Y1176-S1180 VanDerWaalsContact O-CB 3.24Å; Y1176-S1180 WeakPolarHBondContact O-CB 3.21Å; Y1176-S1180 PolarHBondContact O-N 2.9Å; Y1176-S1180 PolarHBondContact O-OG 2.78Å; E1177-S1180 PolarHBondContact O-N 2.77Å; E1177-S1180 PolarHBondContact O-OG 3.4Å; S1180-G1184 VanDerWaalsContact O-CA 3.25Å; S1180-G1184 WeakPolarHBondContact O-CA 3.5Å; S1180-G1184 PolarHBondContact O-N 3.38Å
1181L84.8Confident86.8Confident148 Ų14852.1 Ų52.178%0.77527%0.27SS*.Hα-helixtrans-69.8-33.4174.2-77164.4000112.7E1177 L1178 I1179E1177-L1181 WeakPolarHBondContact O-CB 3.48Å; E1177-L1181 WeakPolarHBondContact O-CD1 3.14Å; E1177-L1181 WeakPolarHBondContact O-CG 3.31Å; E1177-L1181 PolarHBondContact O-N 2.92Å; L1178-L1181 PolarHBondContact O-N 3.3Å; I1179-L1181 PolarHBondContact O-N 2.81Å
1182Q85.3Confident85.8Confident150 Ų15057.3 Ų57.370%0.70130%0.301SS*.Hα-helixtrans-75.2-43.6178.7-79.8-175.5-14.800113.3L1178 I1179L1178-Q1182 PolarHBondContact O-N 3.46Å; I1179-Q1182 PolarHBondContact O-N 2.79Å
1183Q83.2Confident84.2Confident89 Ų8960.2 Ų60.242%0.41632%0.315SS..Hα-helixtrans-94.8-21.2-174.7-65.3-169.5-10.900113.2I1179 Y1185I1179-Q1183 HydrophobicContact CG2-CG 4.46Å; I1179-Q1183 PolarHBondContact O-N 3.48Å; Q1183-Y1185 HydrophobicContact CB-CD1 4.26Å; Q1183-Y1185 HydrophobicContact CB-CD2 4.21Å; Q1183-Y1185 HydrophobicContact CB-CE1 3.99Å; Q1183-Y1185 HydrophobicContact CB-CE2 3.97Å; Q1183-Y1185 HydrophobicContact CB-CG 4.37Å; Q1183-Y1185 WeakPolarHBondContact O-CD1 3.39Å; Q1183-Y1185 VanDerWaalsContact O-CE1 3.23Å; Q1183-Y1185 WeakPolarHBondContact O-CE1 3.31Å; Q1183-Y1185 PolarHBondContact O-N 3.5Å
1184G83.9Confident82.4Confident40 Ų4071.8 Ų71.841%0.41237%0.367SS..SBendtrans791.8-174.300000113.9S1180 V1192S1180-G1184 VanDerWaalsContact O-CA 3.25Å; S1180-G1184 WeakPolarHBondContact O-CA 3.5Å; S1180-G1184 PolarHBondContact O-N 3.38Å; G1184-V1192 WeakPolarHBondContact O-CG1 3.36Å
1185Y87.4Confident82Confident74 Ų7469.7 Ų69.729%0.2936%0.355SS..BIsolated β-bridgetrans-146.4166.9-179.553.3-102000111.8Q1183 H1190 T1191Q1183-Y1185 HydrophobicContact CB-CD1 4.26Å; Q1183-Y1185 HydrophobicContact CB-CD2 4.21Å; Q1183-Y1185 HydrophobicContact CB-CE1 3.99Å; Q1183-Y1185 HydrophobicContact CB-CE2 3.97Å; Q1183-Y1185 HydrophobicContact CB-CG 4.37Å; Q1183-Y1185 WeakPolarHBondContact O-CD1 3.39Å; Q1183-Y1185 VanDerWaalsContact O-CE1 3.23Å; Q1183-Y1185 WeakPolarHBondContact O-CE1 3.31Å; Q1183-Y1185 PolarHBondContact O-N 3.5Å; Y1185-H1190 HydrophobicContact CD2-CB 4.16Å; Y1185-H1190 AromaticContact CD2-CD2 3.88Å; Y1185-H1190 HydrophobicContact CE2-CB 4.45Å; Y1185-H1190 AromaticContact CE2-CD2 3.62Å; Y1185-T1191 CarbonylContact C-O 3.54Å; Y1185-T1191 WeakPolarHBondContact CA-O 3.36Å; Y1185-T1191 WeakPolarHBondContact CB-O 3.31Å
1186C87Confident81.7Confident1 Ų170.6 Ų70.61%0.00736%0.359CS..  trans-64.9127.7174.1-179.10000110.2Y1188 C1189 H1190 T1191C1186-Y1188 PolarHBondContact O-N 2.83Å; C1186-C1189 PolarHBondContact O-N 2.92Å; C1186-C1189 VanDerWaalsContact SG-SG 3.63Å; C1186-H1190 WeakPolarHBondContact O-CA 3.46Å; C1186-H1190 PolarHBondContact O-N 2.9Å; C1186-T1191 PolarHBondContact N-O 3.37Å
1187P86.1Confident81.3Confident7 Ų774.1 Ų74.15%0.04538%0.377CS..THydrogen-bonded Turntrans-64.6-14.9-172.525-34.6000114.1Y905 I1179Y905-P1187 WeakPolarHBondContact CE2-O 3.39Å; I1179-P1187 HydrophobicContact CG2-CB 3.78Å; I1179-P1187 HydrophobicContact CG2-CG 3.98Å
1188Y88.7Confident80.9Confident6 Ų672.8 Ų72.82%0.02437%0.373CS..THydrogen-bonded Turntrans-98.3-45.4179.6-174.4-87.7000113.4W867 Q898 A901 D902 Y905 F1037 C1167 K1169 C1186W867-Y1188 HydrophobicContact CB-CE1 4.23Å; W867-Y1188 AromaticContact CD1-CE1 3.65Å; W867-Y1188 AromaticContact CG-CE1 3.91Å; W867-Y1188 HydrophobicContact CG-CE1 3.91Å; Q898-Y1188 PolarHBondContact NE2-OH 2.97Å; A901-Y1188 WeakPolarHBondContact CB-OH 3.47Å; D902-Y1188 WeakPolarHBondContact OD1-CE2 3.31Å; D902-Y1188 PolarHBondContact OD1-OH 3.24Å; Y905-Y1188 AromaticContact CD1-CD2 3.8Å; Y905-Y1188 HydrophobicContact CD1-CD2 3.8Å; Y905-Y1188 HydrophobicContact CD1-CE2 4.19Å; Y905-Y1188 HydrophobicContact CD2-CD2 4.18Å; Y905-Y1188 HydrophobicContact CE1-CD2 4.13Å; Y905-Y1188 AromaticContact CG-CD2 3.81Å; Y905-Y1188 HydrophobicContact CG-CD2 3.81Å; Y905-Y1188 HydrophobicContact CG-CE2 4.13Å; F1037-Y1188 HydrophobicContact CD1-CD2 4.06Å; F1037-Y1188 HydrophobicContact CD1-CE2 4.13Å; F1037-Y1188 HydrophobicContact CE1-CD2 4.46Å; F1037-Y1188 HydrophobicContact CE1-CE2 4.06Å; C1167-Y1188 HydrophobicContact CB-CD1 3.86Å; C1167-Y1188 HydrophobicContact CB-CE1 4.34Å; K1169-Y1188 HydrophobicContact CG-CD1 4.27Å; K1169-Y1188 HydrophobicContact CG-CE1 4.44Å; K1169-Y1188 HydrophobicContact CG-CG 4.32Å; C1186-Y1188 PolarHBondContact O-N 2.83Å
1189C86.7Confident80.4Confident1 Ų170.9 Ų70.91%0.00736%0.362CS..THydrogen-bonded Turntrans-112.55.8-172.657.40000114.8F864 W867 C1167 C1186 T1191F864-C1189 WeakPolarHBondContact CE2-O 3.34Å; W867-C1189 HydrophobicContact CD2-CB 4.03Å; W867-C1189 HydrophobicContact CE3-CB 3.98Å; W867-C1189 HydrophobicContact CH2-CB 3.64Å; W867-C1189 HydrophobicContact CZ2-CB 3.68Å; W867-C1189 HydrophobicContact CZ3-CB 3.79Å; C1167-C1189 HydrophobicContact CB-CB 3.83Å; C1186-C1189 PolarHBondContact O-N 2.92Å; C1186-C1189 VanDerWaalsContact SG-SG 3.63Å; C1189-T1191 PolarHBondContact O-N 3.18Å; C1189-T1191 PolarHBondContact SG-OG1 3.05Å
1190H84.9Confident80.1Confident50 Ų5073.8 Ų73.823%0.23138%0.377CS..  trans5614.5175.1-56.9177.4000115.4D860 F864 Y1185 C1186D860-H1190 IonicContact OD2-CE1 3.09Å; D860-H1190 IonicContact OD2-NE2 2.98Å; F864-H1190 HydrophobicContact CD2-CB 4.24Å; F864-H1190 AromaticContact CD2-ND1 3.86Å; F864-H1190 HydrophobicContact CE2-CB 4.04Å; Y1185-H1190 HydrophobicContact CD2-CB 4.16Å; Y1185-H1190 AromaticContact CD2-CD2 3.88Å; Y1185-H1190 HydrophobicContact CE2-CB 4.45Å; Y1185-H1190 AromaticContact CE2-CD2 3.62Å; C1186-H1190 WeakPolarHBondContact O-CA 3.46Å; C1186-H1190 PolarHBondContact O-N 2.9Å
1191T78.5Confident79.9Confident49 Ų4978.1 Ų78.130%0.30140%0.397SS..PPolyproline II helixtrans-79.3128.5174.236.80000109.5V1166 Y1185 C1186 C1189V1166-T1191 HydrophobicContact CG1-CG2 4.17Å; V1166-T1191 HydrophobicContact CG2-CG2 4.28Å; Y1185-T1191 CarbonylContact C-O 3.54Å; Y1185-T1191 WeakPolarHBondContact CA-O 3.36Å; Y1185-T1191 WeakPolarHBondContact CB-O 3.31Å; C1186-T1191 PolarHBondContact N-O 3.37Å; C1189-T1191 PolarHBondContact O-N 3.18Å; C1189-T1191 PolarHBondContact SG-OG1 3.05Å
1192V71.9Confident79.5Confident108 Ų10872.7 Ų72.766%0.65537%0.368SS*.BIsolated β-bridgetrans-66.2131.1174.5-179.20000107.6G1184 E1194G1184-V1192 WeakPolarHBondContact O-CG1 3.36Å; V1192-E1194 PolarHBondContact O-N 3.16Å
1193K59.6Low79Confident104 Ų10466.3 Ų66.345%0.45234%0.34SS..PPolyproline II helixtrans-64.5119.9171.2-107.4-179.1174.7175.80107.3Y1176Y1176-K1193 VanDerWaalsContact CE1-CE 3.44Å
1194E50.2Low78.6Confident266 Ų26664.2 Ų64.2100%1.24333%0.333SS*.  trans-64.30169.7-74.1-171.7161.500112.1V1192V1192-E1194 PolarHBondContact O-N 3.16Å

Retrieved 1,194 of 1,194 residues in 1348.2 ms (Link to these results)

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