X6R960_HUMAN Loading...

Ubiquitin protein ligase E3 component n-recognin 4

AlphaFold DB , UniProt , Accession X6R960, Species HUMAN (Homo sapiens, Human), Gene UBR4, Length 890 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
1M38.2Very low54.8Low196 Ų196108 Ų10897%0.96660%0.597SS**  0-50.60-115.2-162.8-112.500113.3D4M1-D4 WeakPolarHBondContact CA-OD2 3.35Å; M1-D4 PolarHBondContact N-OD2 3.34Å
2L40.6Very low57Low114 Ų114108.4 Ų108.460%0.59759%0.591SS**  trans-89-21.7171.5-86.2158.3000113.8F16L2-F16 HydrophobicContact CD2-CE2 4.05Å; L2-F16 HydrophobicContact CD2-CZ 3.89Å
3E41.9Very low59Low144 Ų144102 Ų10267%0.67356%0.557SS**G310 helixtrans-71.4-29.9174.9-74169.6154.100112.9M5 T6E3-M5 PolarHBondContact O-N 2.84Å; E3-T6 PolarHBondContact O-OG1 3.03Å
4D43.5Very low60.8Low122 Ų12299.9 Ų99.965%0.65254%0.54SS*.G310 helixtrans-75.5-5.8-179.2-51.9-62.1000113.5M1M1-D4 WeakPolarHBondContact CA-OD2 3.35Å; M1-D4 PolarHBondContact N-OD2 3.34Å
5M47Very low62.4Low124 Ų12497.1 Ų97.161%0.61154%0.536SS*.G310 helixtrans-99-2.3-176.7-68.9-173.365.900114.3E3E3-M5 PolarHBondContact O-N 2.84Å
6T50.9Low64Low45 Ų4592.9 Ų92.928%0.27651%0.511SS..  trans-103.513.6-176.147.30000114.7E3 G8 R41 I45E3-T6 PolarHBondContact O-OG1 3.03Å; T6-G8 VanDerWaalsContact C-N 3.28Å; T6-R41 PolarHBondContact OG1-NH2 2.91Å; T6-I45 HydrophobicContact CG2-CD1 4.47Å
7T52.3Low65.5Low131 Ų13187.5 Ų87.580%0.80448%0.481SS*.SBendtrans-89.512.9176.251.60000113.6
8G58.8Low66.7Low35 Ų3584.3 Ų84.336%0.36147%0.468SS..SBendtrans-83.9177-178.500000114.7T6 E12T6-G8 VanDerWaalsContact C-N 3.28Å; G8-E12 WeakPolarHBondContact CA-OE2 3.22Å
9T75.3Confident67.9Low86 Ų8684.3 Ų84.353%0.52847%0.47SS..  trans-62158.7171.959.90000111.8S11 E12 T13T9-S11 PolarHBondContact O-N 3.22Å; T9-E12 PolarHBondContact N-OE2 3Å; T9-E12 WeakPolarHBondContact O-CB 3.34Å; T9-E12 PolarHBondContact O-N 2.62Å; T9-E12 WeakPolarHBondContact OG1-CG 3.36Å; T9-E12 PolarHBondContact OG1-OE2 3.16Å; T9-T13 PolarHBondContact O-N 3.47Å; T9-T13 VanDerWaalsContact O-N 3.14Å
10E76.1Confident69Low103 Ų10380.8 Ų80.848%0.48145%0.451SS..Hα-helixtrans-50.4-37.3177.4-167.9-170.7138.900112.5E12 T13 K14 M182E10-E12 PolarHBondContact O-N 3.45Å; E10-T13 PolarHBondContact O-N 2.99Å; E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.37Å; E10-K14 PolarHBondContact O-N 2.77Å; E10-K14 WeakPolarHBondContact OE1-CE 3.27Å; E10-K14 IonicContact OE1-NZ 2.84Å; E10-K14 PolarHBondContact OE1-NZ 2.96Å; E10-M182 HydrophobicContact CG-CE 3.65Å; E10-M182 HydrophobicContact CG-SD 3.98Å; E10-M182 VanDerWaalsContact OE1-CE 3.28Å; E10-M182 WeakPolarHBondContact OE1-CE 3.49Å
11S78.3Confident70.1Confident88 Ų8877 Ų7762%0.61543%0.43SS*.Hα-helixtrans-65.3-35.8177.2-172.10000113.6T9 A15T9-S11 PolarHBondContact O-N 3.22Å; S11-A15 PolarHBondContact O-N 3.4Å; S11-A15 VanDerWaalsContact O-N 3.08Å
12E80.9Confident72.5Confident113 Ų11371.6 Ų71.653%0.52840%0.403SS..Hα-helixtrans-72.9-39.4178.7-70.5166139.200110.5G8 T9 E10 K14 A15 F16G8-E12 WeakPolarHBondContact CA-OE2 3.22Å; T9-E12 PolarHBondContact N-OE2 3Å; T9-E12 WeakPolarHBondContact O-CB 3.34Å; T9-E12 PolarHBondContact O-N 2.62Å; T9-E12 WeakPolarHBondContact OG1-CG 3.36Å; T9-E12 PolarHBondContact OG1-OE2 3.16Å; E10-E12 PolarHBondContact O-N 3.45Å; E12-K14 PolarHBondContact O-N 2.8Å; E12-A15 PolarHBondContact O-N 3.27Å; E12-F16 WeakPolarHBondContact O-CB 3.19Å; E12-F16 PolarHBondContact O-N 3.02Å
13T83.2Confident74.8Confident25 Ų2568.3 Ų68.315%0.15339%0.387CS..Hα-helixtrans-60.6-44.5172.9-570000111.4T9 E10 A15 F16 M17 I45T9-T13 PolarHBondContact O-N 3.47Å; T9-T13 VanDerWaalsContact O-N 3.14Å; E10-T13 PolarHBondContact O-N 2.99Å; T13-A15 PolarHBondContact O-N 2.91Å; T13-F16 PolarHBondContact O-N 3.4Å; T13-M17 WeakPolarHBondContact O-CG 3.46Å; T13-M17 PolarHBondContact O-N 3.32Å; T13-I45 HydrophobicContact CG2-CG2 3.48Å; T13-I45 VanDerWaalsContact CG2-CG2 3.48Å
14K84.8Confident77Confident73 Ų7361.5 Ų61.532%0.31736%0.355SS..Hα-helixtrans-60.9-42.7174.8-68.8-178.6165162.10112.4E10 E12 M17 A18 M182 V185E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.37Å; E10-K14 PolarHBondContact O-N 2.77Å; E10-K14 WeakPolarHBondContact OE1-CE 3.27Å; E10-K14 IonicContact OE1-NZ 2.84Å; E10-K14 PolarHBondContact OE1-NZ 2.96Å; E12-K14 PolarHBondContact O-N 2.8Å; K14-M17 PolarHBondContact O-N 3.05Å; K14-A18 PolarHBondContact O-N 2.9Å; K14-A18 VanDerWaalsContact O-N 3.15Å; K14-M182 HydrophobicContact CG-SD 4.49Å; K14-V185 HydrophobicContact CB-CG2 4.02Å; K14-V185 HydrophobicContact CD-CG2 3.94Å; K14-V185 HydrophobicContact CG-CG2 3.5Å
15A84.7Confident79.2Confident57 Ų5759.9 Ų59.947%0.47134%0.342SS..Hα-helixtrans-65-40.3176.500000111.9S11 E12 T13 A18 V19S11-A15 PolarHBondContact O-N 3.4Å; S11-A15 VanDerWaalsContact O-N 3.08Å; E12-A15 PolarHBondContact O-N 3.27Å; T13-A15 PolarHBondContact O-N 2.91Å; A15-A18 WeakPolarHBondContact O-CB 3.49Å; A15-A18 PolarHBondContact O-N 3.02Å; A15-V19 WeakPolarHBondContact O-CG2 3.14Å; A15-V19 PolarHBondContact O-N 3.42Å
16F87Confident81.1Confident31 Ų3163.7 Ų63.714%0.13635%0.35CS..Hα-helixtrans-62.2-45175.2-179.5-99000111.9L2 E12 T13 A18 V19 C20 R41 I45L2-F16 HydrophobicContact CD2-CE2 4.05Å; L2-F16 HydrophobicContact CD2-CZ 3.89Å; E12-F16 WeakPolarHBondContact O-CB 3.19Å; E12-F16 PolarHBondContact O-N 3.02Å; T13-F16 PolarHBondContact O-N 3.4Å; F16-A18 VanDerWaalsContact C-N 3.28Å; F16-A18 PolarHBondContact O-N 3Å; F16-V19 PolarHBondContact O-N 3.43Å; F16-C20 WeakPolarHBondContact CE1-SG 3.46Å; F16-C20 PolarHBondContact O-N 3.45Å; F16-C20 PolarHBondContact O-SG 3.46Å; F16-R41 HydrophobicContact CE1-CG 4.47Å; F16-I45 HydrophobicContact CD1-CD1 3.75Å; F16-I45 HydrophobicContact CE1-CD1 3.73Å
17M89.4Confident82.8Confident0 Ų066.2 Ų66.20%036%0.355CS..Hα-helixtrans-56.8-41.4174.7-68.9175.672.500111.9T13 K14 C20 I21 L42 I45 I46 V185 M186T13-M17 WeakPolarHBondContact O-CG 3.46Å; T13-M17 PolarHBondContact O-N 3.32Å; K14-M17 PolarHBondContact O-N 3.05Å; M17-C20 WeakPolarHBondContact O-CB 3.43Å; M17-C20 PolarHBondContact O-N 2.55Å; M17-I21 WeakPolarHBondContact O-CG1 3.35Å; M17-I21 PolarHBondContact O-N 3.47Å; M17-I21 VanDerWaalsContact O-N 3.13Å; M17-L42 HydrophobicContact CB-CD2 3.8Å; M17-L42 HydrophobicContact CE-CD2 4.19Å; M17-L42 HydrophobicContact CG-CD2 3.73Å; M17-I45 HydrophobicContact CG-CD1 4.49Å; M17-I45 HydrophobicContact CG-CG2 4Å; M17-I45 HydrophobicContact SD-CG2 3.8Å; M17-I46 HydrophobicContact CE-CD1 3.8Å; M17-I46 HydrophobicContact CE-CG1 3.63Å; M17-V185 HydrophobicContact CB-CG1 4.3Å; M17-V185 HydrophobicContact CE-CB 4.37Å; M17-V185 HydrophobicContact SD-CB 4.5Å; M17-V185 HydrophobicContact SD-CG2 4.37Å; M17-M186 HydrophobicContact CE-SD 4.26Å
18A88.5Confident84.3Confident30 Ų3064.9 Ų64.925%0.24834%0.343CS..Hα-helixtrans-63.6-40.7175.100000112.5K14 A15 F16 I21 E22 C189K14-A18 PolarHBondContact O-N 2.9Å; K14-A18 VanDerWaalsContact O-N 3.15Å; A15-A18 WeakPolarHBondContact O-CB 3.49Å; A15-A18 PolarHBondContact O-N 3.02Å; F16-A18 VanDerWaalsContact C-N 3.28Å; F16-A18 PolarHBondContact O-N 3Å; A18-I21 PolarHBondContact O-N 3.01Å; A18-E22 PolarHBondContact O-N 2.79Å; A18-C189 HydrophobicContact CB-CB 3.72Å
19V89.5Confident85.6Confident85 Ų8567 Ų6752%0.51535%0.346SS..Hα-helixtrans-64.7-38.8175.4174.20000111.7A15 F16 I21 E22 T23A15-V19 WeakPolarHBondContact O-CG2 3.14Å; A15-V19 PolarHBondContact O-N 3.42Å; F16-V19 PolarHBondContact O-N 3.43Å; V19-I21 VanDerWaalsContact C-N 3.32Å; V19-I21 PolarHBondContact O-N 3.07Å; V19-E22 PolarHBondContact O-N 3.37Å; V19-T23 WeakPolarHBondContact O-CB 3.07Å; V19-T23 PolarHBondContact O-N 3.27Å; V19-T23 PolarHBondContact O-OG1 3.39Å
20C89.7Confident85.9Confident14 Ų1468.5 Ų68.510%0.09535%0.35CS..Hα-helixtrans-57.7-45.3173.2-74.60000111.3F16 M17 T23 A24 I38 L42F16-C20 WeakPolarHBondContact CE1-SG 3.46Å; F16-C20 PolarHBondContact O-N 3.45Å; F16-C20 PolarHBondContact O-SG 3.46Å; M17-C20 WeakPolarHBondContact O-CB 3.43Å; M17-C20 PolarHBondContact O-N 2.55Å; C20-T23 WeakPolarHBondContact O-CB 3.38Å; C20-T23 PolarHBondContact O-N 3.41Å; C20-A24 PolarHBondContact O-N 3.12Å; C20-I38 HydrophobicContact CB-CG2 3.73Å; C20-I38 WeakPolarHBondContact O-CG2 3.37Å; C20-L42 HydrophobicContact CB-CD1 4.36Å; C20-L42 HydrophobicContact CB-CD2 3.98Å; C20-L42 HydrophobicContact CB-CG 4.26Å
21I92.1Very high86.4Confident0 Ų065.6 Ų65.60%034%0.338CS..Hα-helixtrans-63.9-46177-67.3-56.8000112M17 A18 V19 T23 A24 K25 F39 L42 M186 C194M17-I21 WeakPolarHBondContact O-CG1 3.35Å; M17-I21 PolarHBondContact O-N 3.47Å; M17-I21 VanDerWaalsContact O-N 3.13Å; A18-I21 PolarHBondContact O-N 3.01Å; V19-I21 VanDerWaalsContact C-N 3.32Å; V19-I21 PolarHBondContact O-N 3.07Å; I21-T23 PolarHBondContact O-N 2.72Å; I21-A24 PolarHBondContact O-N 3.02Å; I21-K25 WeakPolarHBondContact O-CG 3.31Å; I21-K25 PolarHBondContact O-N 3.47Å; I21-F39 HydrophobicContact CD1-CE1 4.11Å; I21-L42 HydrophobicContact CD1-CD1 3.59Å; I21-L42 HydrophobicContact CG1-CD1 4.28Å; I21-M186 HydrophobicContact CD1-CE 3.81Å; I21-M186 HydrophobicContact CD1-SD 4.36Å; I21-M186 HydrophobicContact CG1-CE 4.45Å; I21-M186 HydrophobicContact CG1-SD 4.44Å; I21-C194 HydrophobicContact CG2-CB 4.01Å
22E88.3Confident86.8Confident84 Ų8463.1 Ų63.139%0.39332%0.316SS..Hα-helixtrans-62.2-34.6176.1-73.7-57.1121.900112.3A18 V19 K25 R26A18-E22 PolarHBondContact O-N 2.79Å; V19-E22 PolarHBondContact O-N 3.37Å; E22-K25 PolarHBondContact O-N 3.48Å; E22-K25 IonicContact OE1-NZ 3.56Å; E22-K25 PolarHBondContact OE1-NZ 2.85Å; E22-R26 WeakPolarHBondContact O-CG 3.37Å
23T88Confident87Confident45 Ų4567.5 Ų67.528%0.27633%0.327SS..Hα-helixtrans-68.5-43.7175.2-58.10000110.9V19 C20 I21 K25 R26 Y27 I38V19-T23 WeakPolarHBondContact O-CB 3.07Å; V19-T23 PolarHBondContact O-N 3.27Å; V19-T23 PolarHBondContact O-OG1 3.39Å; C20-T23 WeakPolarHBondContact O-CB 3.38Å; C20-T23 PolarHBondContact O-N 3.41Å; I21-T23 PolarHBondContact O-N 2.72Å; T23-K25 VanDerWaalsContact C-N 3.27Å; T23-K25 PolarHBondContact O-N 3.15Å; T23-R26 PolarHBondContact O-N 3.08Å; T23-R26 VanDerWaalsContact O-N 3.14Å; T23-Y27 HydrophobicContact CG2-CE2 3.98Å; T23-Y27 VanDerWaalsContact O-CD2 3.24Å; T23-Y27 WeakPolarHBondContact O-CD2 3.35Å; T23-I38 HydrophobicContact CG2-CD1 4.02Å
24A89.4Confident87.1Confident0 Ų068.7 Ų68.70%034%0.335CS..Hα-helixtrans-61.5-33.2175.200000112.6C20 I21 R26 I38 F39 R198C20-A24 PolarHBondContact O-N 3.12Å; I21-A24 PolarHBondContact O-N 3.02Å; A24-R26 VanDerWaalsContact C-N 3.28Å; A24-R26 PolarHBondContact O-N 3.29Å; A24-I38 HydrophobicContact CB-CD1 4.18Å; A24-I38 HydrophobicContact CB-CG2 4.31Å; A24-F39 HydrophobicContact CB-CZ 4.1Å; A24-R198 PolarHBondContact O-NH2 2.94Å
25K88Confident87.3Confident88 Ų8865.2 Ų65.238%0.38332%0.32SS..Hα-helixtrans-66.6-24.8175.9-71.7175-171.5164.80113.7I21 E22 T23 C194I21-K25 WeakPolarHBondContact O-CG 3.31Å; I21-K25 PolarHBondContact O-N 3.47Å; E22-K25 PolarHBondContact O-N 3.48Å; E22-K25 IonicContact OE1-NZ 3.56Å; E22-K25 PolarHBondContact OE1-NZ 2.85Å; T23-K25 VanDerWaalsContact C-N 3.27Å; T23-K25 PolarHBondContact O-N 3.15Å; K25-C194 HydrophobicContact CG-CB 4.19Å
26R87.3Confident87.6Confident205 Ų20562.6 Ų62.677%0.77430%0.298SS*.Hα-helixtrans-79.3-19.2-175.8-69.2174-172.7-172.22.3114.5E22 T23 A24E22-R26 WeakPolarHBondContact O-CG 3.37Å; T23-R26 PolarHBondContact O-N 3.08Å; T23-R26 VanDerWaalsContact O-N 3.14Å; A24-R26 VanDerWaalsContact C-N 3.28Å; A24-R26 PolarHBondContact O-N 3.29Å
27Y86.8Confident87.6Confident98 Ų9867.9 Ų67.938%0.38432%0.321SS..SBendtrans-79.3157.3177.7-68.3-79000111.6T23 T34 I38 R198T23-Y27 HydrophobicContact CG2-CE2 3.98Å; T23-Y27 VanDerWaalsContact O-CD2 3.24Å; T23-Y27 WeakPolarHBondContact O-CD2 3.35Å; Y27-T34 HydrophobicContact CD1-CG2 4.19Å; Y27-T34 HydrophobicContact CD2-CG2 4.42Å; Y27-T34 HydrophobicContact CE1-CG2 3.73Å; Y27-T34 HydrophobicContact CE2-CG2 3.96Å; Y27-I38 HydrophobicContact CE2-CD1 4.18Å; Y27-R198 PolarHBondContact O-NH2 2.86Å
28N84.8Confident87.7Confident103 Ų10369 Ų6955%0.55133%0.327SS*.  trans-73.8152.6175.5-171.512.4000111.1D30 D31 R198N28-D30 PolarHBondContact ND2-OD2 3.05Å; N28-D30 PolarHBondContact O-N 3.38Å; N28-D31 PolarHBondContact O-N 2.97Å; N28-D31 VanDerWaalsContact O-N 3.14Å; N28-R198 VanDerWaalsContact C-NH1 3.27Å; N28-R198 PolarHBondContact O-NH1 3.06Å
29L85.1Confident87.8Confident78 Ų7867.6 Ų67.641%0.40832%0.315SS..THydrogen-bonded Turntrans-61.8-25177.6-69.6177.8000113.7D31 Y32 R198L29-D31 VanDerWaalsContact C-N 3.26Å; L29-D31 PolarHBondContact O-N 3.31Å; L29-Y32 VanDerWaalsContact O-CE1 3.29Å; L29-Y32 WeakPolarHBondContact O-CE1 3.49Å; L29-R198 VanDerWaalsContact CA-NH1 3.26Å
30D81Confident87.8Confident118 Ų11866.8 Ų66.863%0.63131%0.306SS*.THydrogen-bonded Turntrans-76.6-10.2176.9-52.3-47.9000113.4N28 Y32N28-D30 PolarHBondContact ND2-OD2 3.05Å; N28-D30 PolarHBondContact O-N 3.38Å; D30-Y32 PolarHBondContact O-N 3.29Å
31D86.9Confident87.7Confident43 Ų4369.1 Ų69.123%0.2331%0.313CS..  trans-88.7102.1174.7-176.2-1.5000110.8N28 L29 R33 T34 P35N28-D31 PolarHBondContact O-N 2.97Å; N28-D31 VanDerWaalsContact O-N 3.14Å; L29-D31 VanDerWaalsContact C-N 3.26Å; L29-D31 PolarHBondContact O-N 3.31Å; D31-R33 PolarHBondContact OD1-N 2.82Å; D31-T34 PolarHBondContact OD1-N 3.29Å; D31-T34 VanDerWaalsContact OD1-N 3.07Å; D31-T34 PolarHBondContact OD1-OG1 3.03Å; D31-T34 WeakPolarHBondContact OD2-CB 3.31Å; D31-T34 PolarHBondContact OD2-OG1 3.09Å; D31-P35 VanDerWaalsContact O-CD 3.28Å; D31-P35 WeakPolarHBondContact O-CD 3.2Å; D31-P35 WeakPolarHBondContact O-CG 3.26Å
32Y86.4Confident87.6Confident36 Ų3669.1 Ų69.114%0.14131%0.313CS..  trans-88.2-15.6178-54.9-36000114.2L29 D30 V36 I202 Q207 L211L29-Y32 VanDerWaalsContact O-CE1 3.29Å; L29-Y32 WeakPolarHBondContact O-CE1 3.49Å; D30-Y32 PolarHBondContact O-N 3.29Å; Y32-V36 WeakPolarHBondContact O-CG2 3.22Å; Y32-I202 HydrophobicContact CE1-CG1 4.38Å; Y32-Q207 HydrophobicContact CD2-CB 4.06Å; Y32-Q207 HydrophobicContact CE2-CB 4.08Å; Y32-L211 HydrophobicContact CD1-CD2 4.07Å
33R86.3Confident87.6Confident204 Ų20465.3 Ų65.377%0.7730%0.295SS*.SBendtrans-94.9-45.2-169.6-67.9-176.7-178.6-177.20.1112.3D31 V36 F37D31-R33 PolarHBondContact OD1-N 2.82Å; R33-V36 WeakPolarHBondContact O-CB 3.44Å; R33-V36 PolarHBondContact O-N 3.07Å; R33-F37 WeakPolarHBondContact O-CD2 3.4Å
34T85.6Confident87.5Confident50 Ų5065.6 Ų65.631%0.30730%0.299SS..Hα-helixtrans-65.3-41.8-175.7-46.90000112.8Y27 D31 V36Y27-T34 HydrophobicContact CD1-CG2 4.19Å; Y27-T34 HydrophobicContact CD2-CG2 4.42Å; Y27-T34 HydrophobicContact CE1-CG2 3.73Å; Y27-T34 HydrophobicContact CE2-CG2 3.96Å; D31-T34 PolarHBondContact OD1-N 3.29Å; D31-T34 VanDerWaalsContact OD1-N 3.07Å; D31-T34 PolarHBondContact OD1-OG1 3.03Å; D31-T34 WeakPolarHBondContact OD2-CB 3.31Å; D31-T34 PolarHBondContact OD2-OG1 3.09Å; T34-V36 VanDerWaalsContact C-N 3.27Å; T34-V36 PolarHBondContact O-N 3.45Å
35P89.2Confident87.4Confident0 Ų066.8 Ų66.80%031%0.305CS..Hα-helixtrans-66.6-24.4179.1-2335.9000114.5D31 F37 I38 F39 L211D31-P35 VanDerWaalsContact O-CD 3.28Å; D31-P35 WeakPolarHBondContact O-CD 3.2Å; D31-P35 WeakPolarHBondContact O-CG 3.26Å; P35-F37 PolarHBondContact O-N 3.47Å; P35-I38 WeakPolarHBondContact O-CB 3.44Å; P35-I38 PolarHBondContact O-N 3.48Å; P35-I38 VanDerWaalsContact O-N 3.17Å; P35-F39 HydrophobicContact CB-CD2 4.07Å; P35-F39 HydrophobicContact CB-CE2 3.73Å; P35-F39 WeakPolarHBondContact O-CD2 3.4Å; P35-F39 PolarHBondContact O-N 3.27Å; P35-L211 HydrophobicContact CB-CD1 4.07Å
36V89.4Confident87.2Confident3 Ų362.9 Ų62.92%0.01829%0.288CS..Hα-helixtrans-53.3-54.3177.8165.90000110.5Y32 R33 T34 I38 F39 E40 H210 L211 V214Y32-V36 WeakPolarHBondContact O-CG2 3.22Å; R33-V36 WeakPolarHBondContact O-CB 3.44Å; R33-V36 PolarHBondContact O-N 3.07Å; T34-V36 VanDerWaalsContact C-N 3.27Å; T34-V36 PolarHBondContact O-N 3.45Å; V36-I38 PolarHBondContact O-N 3.26Å; V36-F39 PolarHBondContact O-N 2.85Å; V36-E40 HydrophobicContact CG1-CG 4.13Å; V36-E40 WeakPolarHBondContact O-CG 3.4Å; V36-E40 PolarHBondContact O-N 3.12Å; V36-H210 WeakPolarHBondContact CG1-CD2 3.07Å; V36-H210 WeakPolarHBondContact CG1-NE2 3.44Å; V36-L211 HydrophobicContact CG2-CB 3.87Å; V36-L211 HydrophobicContact CG2-CD1 4.09Å; V36-V214 HydrophobicContact CG1-CG2 4.29Å
37F88.5Confident87.1Confident142 Ų14257.9 Ų57.962%0.62327%0.27SS*.Hα-helixtrans-59.9-33.3-177.5-60.8-76.1000112.5R33 P35 R41R33-F37 WeakPolarHBondContact O-CD2 3.4Å; P35-F37 PolarHBondContact O-N 3.47Å; F37-R41 WeakPolarHBondContact O-CB 3.44Å; F37-R41 PolarHBondContact O-N 3.29Å; F37-R41 VanDerWaalsContact O-N 3.13Å
38I89.9Confident86.5Confident24 Ų2457.7 Ų57.712%0.12328%0.281CS..Hα-helixtrans-68.4-47.5177.2-57.9176.2000109.9C20 T23 A24 Y27 P35 V36 R41 L42C20-I38 HydrophobicContact CB-CG2 3.73Å; C20-I38 WeakPolarHBondContact O-CG2 3.37Å; T23-I38 HydrophobicContact CG2-CD1 4.02Å; A24-I38 HydrophobicContact CB-CD1 4.18Å; A24-I38 HydrophobicContact CB-CG2 4.31Å; Y27-I38 HydrophobicContact CE2-CD1 4.18Å; P35-I38 WeakPolarHBondContact O-CB 3.44Å; P35-I38 PolarHBondContact O-N 3.48Å; P35-I38 VanDerWaalsContact O-N 3.17Å; V36-I38 PolarHBondContact O-N 3.26Å; I38-R41 PolarHBondContact O-N 3.18Å; I38-L42 WeakPolarHBondContact O-CG 3.38Å; I38-L42 PolarHBondContact O-N 3.49Å; I38-L42 VanDerWaalsContact O-N 3.09Å
39F92.3Very high85.4Confident0 Ų058.1 Ų58.10%028%0.279CS..Hα-helixtrans-72.3-34.8-179.2-64.9-60.1000112.9I21 A24 P35 V36 R41 L42 C43 M195 R198 L211 V214 L215 L218I21-F39 HydrophobicContact CD1-CE1 4.11Å; A24-F39 HydrophobicContact CB-CZ 4.1Å; P35-F39 HydrophobicContact CB-CD2 4.07Å; P35-F39 HydrophobicContact CB-CE2 3.73Å; P35-F39 WeakPolarHBondContact O-CD2 3.4Å; P35-F39 PolarHBondContact O-N 3.27Å; V36-F39 PolarHBondContact O-N 2.85Å; F39-R41 VanDerWaalsContact C-N 3.31Å; F39-R41 PolarHBondContact O-N 3.21Å; F39-L42 HydrophobicContact CD1-CD1 3.96Å; F39-L42 HydrophobicContact CE1-CD1 4.49Å; F39-L42 WeakPolarHBondContact O-CB 3.32Å; F39-L42 PolarHBondContact O-N 3.05Å; F39-C43 PolarHBondContact O-N 2.9Å; F39-C43 PolarHBondContact O-SG 2.98Å; F39-C43 VanDerWaalsContact O-SG 3.4Å; F39-M195 HydrophobicContact CD1-CG 4.49Å; F39-M195 HydrophobicContact CE1-CG 3.91Å; F39-M195 HydrophobicContact CZ-CG 4.49Å; F39-R198 HydrophobicContact CE2-CG 4.41Å; F39-R198 HydrophobicContact CZ-CG 4.34Å; F39-L211 HydrophobicContact CD2-CD1 3.82Å; F39-L211 HydrophobicContact CE2-CD1 4.06Å; F39-V214 HydrophobicContact CB-CG1 3.49Å; F39-V214 VanDerWaalsContact CB-CG1 3.49Å; F39-L215 HydrophobicContact CD1-CD2 4.16Å; F39-L215 HydrophobicContact CD2-CD2 3.79Å; F39-L215 HydrophobicContact CD2-CG 4.37Å; F39-L215 HydrophobicContact CE1-CD2 4.06Å; F39-L215 HydrophobicContact CE2-CD2 3.67Å; F39-L215 HydrophobicContact CE2-CG 4.47Å; F39-L215 HydrophobicContact CG-CD2 4.05Å; F39-L215 HydrophobicContact CZ-CD2 3.82Å; F39-L218 HydrophobicContact CB-CD2 4.41Å; F39-L218 HydrophobicContact CD1-CD2 3.74Å; F39-L218 HydrophobicContact CG-CD2 4.49Å
40E88.8Confident83.8Confident67 Ų6761.9 Ų61.931%0.31330%0.295SS..Hα-helixtrans-60.5-43.1171.5-74.5-177.4153.100110.8V36 L42 C43 S44 H210 V214V36-E40 HydrophobicContact CG1-CG 4.13Å; V36-E40 WeakPolarHBondContact O-CG 3.4Å; V36-E40 PolarHBondContact O-N 3.12Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 2.98Å; E40-C43 WeakPolarHBondContact O-CB 3.44Å; E40-C43 PolarHBondContact O-N 2.86Å; E40-C43 VanDerWaalsContact O-N 3.15Å; E40-S44 PolarHBondContact O-N 3.36Å; E40-S44 PolarHBondContact O-OG 3.48Å; E40-H210 IonicContact OE1-CE1 2.8Å; E40-H210 PolarHBondContact OE1-CE1 3.36Å; E40-H210 IonicContact OE1-NE2 3.24Å; E40-V214 HydrophobicContact CB-CG1 4.48Å; E40-V214 HydrophobicContact CG-CB 4.39Å; E40-V214 HydrophobicContact CG-CG1 3.73Å; E40-V214 HydrophobicContact CG-CG2 3.67Å
41R87.3Confident82.3Confident64 Ų6463.2 Ų63.224%0.24230%0.302CS..Hα-helixtrans-62.7-39.2175.6-17257.9175179.83.1112T6 F16 F37 I38 F39 C43 S44 I45T6-R41 PolarHBondContact OG1-NH2 2.91Å; F16-R41 HydrophobicContact CE1-CG 4.47Å; F37-R41 WeakPolarHBondContact O-CB 3.44Å; F37-R41 PolarHBondContact O-N 3.29Å; F37-R41 VanDerWaalsContact O-N 3.13Å; I38-R41 PolarHBondContact O-N 3.18Å; F39-R41 VanDerWaalsContact C-N 3.31Å; F39-R41 PolarHBondContact O-N 3.21Å; R41-C43 VanDerWaalsContact C-N 3.35Å; R41-S44 PolarHBondContact O-N 3.34Å; R41-I45 HydrophobicContact CG-CD1 4.06Å; R41-I45 WeakPolarHBondContact O-CD1 3.2Å; R41-I45 VanDerWaalsContact O-CG1 3.25Å; R41-I45 WeakPolarHBondContact O-CG1 3.46Å; R41-I45 PolarHBondContact O-N 2.7Å
42L89.8Confident80.6Confident0 Ų069.9 Ų69.90%033%0.332CS..Hα-helixtrans-63-40.9174-70.5171.5000111.8M17 C20 I21 I38 F39 E40 I45 I46 L218M17-L42 HydrophobicContact CB-CD2 3.8Å; M17-L42 HydrophobicContact CE-CD2 4.19Å; M17-L42 HydrophobicContact CG-CD2 3.73Å; C20-L42 HydrophobicContact CB-CD1 4.36Å; C20-L42 HydrophobicContact CB-CD2 3.98Å; C20-L42 HydrophobicContact CB-CG 4.26Å; I21-L42 HydrophobicContact CD1-CD1 3.59Å; I21-L42 HydrophobicContact CG1-CD1 4.28Å; I38-L42 WeakPolarHBondContact O-CG 3.38Å; I38-L42 PolarHBondContact O-N 3.49Å; I38-L42 VanDerWaalsContact O-N 3.09Å; F39-L42 HydrophobicContact CD1-CD1 3.96Å; F39-L42 HydrophobicContact CE1-CD1 4.49Å; F39-L42 WeakPolarHBondContact O-CB 3.32Å; F39-L42 PolarHBondContact O-N 3.05Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 2.98Å; L42-I45 PolarHBondContact O-N 2.88Å; L42-I46 VanDerWaalsContact O-CG1 3.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.42Å; L42-I46 PolarHBondContact O-N 3.15Å; L42-L218 HydrophobicContact CB-CD1 4.37Å; L42-L218 HydrophobicContact CB-CD2 4.15Å; L42-L218 HydrophobicContact CD1-CD2 4.2Å
43C88.8Confident79.1Confident4 Ų471.4 Ų71.43%0.02735%0.345CS..Hα-helixtrans-57.6-50.4172.8-71.50000111.4F39 E40 R41 I45 I46 Y47 Y221F39-C43 PolarHBondContact O-N 2.9Å; F39-C43 PolarHBondContact O-SG 2.98Å; F39-C43 VanDerWaalsContact O-SG 3.4Å; E40-C43 WeakPolarHBondContact O-CB 3.44Å; E40-C43 PolarHBondContact O-N 2.86Å; E40-C43 VanDerWaalsContact O-N 3.15Å; R41-C43 VanDerWaalsContact C-N 3.35Å; C43-I45 VanDerWaalsContact C-N 3.28Å; C43-I45 PolarHBondContact O-N 3.47Å; C43-I46 PolarHBondContact O-N 3.47Å; C43-Y47 PolarHBondContact O-N 2.94Å; C43-Y221 HydrophobicContact CB-CE2 3.85Å
44S85.9Confident77.8Confident50 Ų5068 Ų6835%0.3535%0.347SS..Hα-helixtrans-65.8-26.7179.7-53.10000114E40 R41 Y47 P48E40-S44 PolarHBondContact O-N 3.36Å; E40-S44 PolarHBondContact O-OG 3.48Å; R41-S44 PolarHBondContact O-N 3.34Å; S44-Y47 CarbonylContact O-C 3.52Å; S44-P48 WeakPolarHBondContact O-CA 3.47Å
45I86.4Confident77.6Confident26 Ų2670.5 Ų70.513%0.13336%0.355CS..Hα-helixtrans-74.6-41.1174.5-72165.6000110.9T6 T13 F16 M17 R41 L42 C43T6-I45 HydrophobicContact CG2-CD1 4.47Å; T13-I45 HydrophobicContact CG2-CG2 3.48Å; T13-I45 VanDerWaalsContact CG2-CG2 3.48Å; F16-I45 HydrophobicContact CD1-CD1 3.75Å; F16-I45 HydrophobicContact CE1-CD1 3.73Å; M17-I45 HydrophobicContact CG-CD1 4.49Å; M17-I45 HydrophobicContact CG-CG2 4Å; M17-I45 HydrophobicContact SD-CG2 3.8Å; R41-I45 HydrophobicContact CG-CD1 4.06Å; R41-I45 WeakPolarHBondContact O-CD1 3.2Å; R41-I45 VanDerWaalsContact O-CG1 3.25Å; R41-I45 WeakPolarHBondContact O-CG1 3.46Å; R41-I45 PolarHBondContact O-N 2.7Å; L42-I45 PolarHBondContact O-N 2.88Å; C43-I45 VanDerWaalsContact C-N 3.28Å; C43-I45 PolarHBondContact O-N 3.47Å
46I85.5Confident77.4Confident6 Ų671 Ų713%0.03136%0.357CS..Hα-helixtrans-71.9-42.4-179.7-69.7165.7000110.5M17 L42 C43 Y180 M182 A183 L218 Y221M17-I46 HydrophobicContact CE-CD1 3.8Å; M17-I46 HydrophobicContact CE-CG1 3.63Å; L42-I46 VanDerWaalsContact O-CG1 3.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.42Å; L42-I46 PolarHBondContact O-N 3.15Å; C43-I46 PolarHBondContact O-N 3.47Å; I46-Y180 HydrophobicContact CG2-CD1 4.04Å; I46-M182 HydrophobicContact CG1-CB 4.28Å; I46-A183 HydrophobicContact CD1-CB 4.05Å; I46-A183 HydrophobicContact CG1-CB 4.45Å; I46-A183 HydrophobicContact CG2-CB 4.01Å; I46-L218 HydrophobicContact CD1-CD1 3.4Å; I46-Y221 HydrophobicContact CB-CD2 4.38Å; I46-Y221 HydrophobicContact CG2-CD2 4.05Å; I46-Y221 HydrophobicContact CG2-CG 4.3Å
47Y83.5Confident77.5Confident99 Ų9975.6 Ų75.639%0.38838%0.377SS..SBendtrans-142.5100.5179.1-169.4-102000109.4C43 S44 E49 V179 Y180C43-Y47 PolarHBondContact O-N 2.94Å; S44-Y47 CarbonylContact O-C 3.52Å; Y47-E49 PolarHBondContact O-N 2.97Å; Y47-V179 HydrophobicContact CD2-CG1 4Å; Y47-V179 HydrophobicContact CE2-CG1 3.91Å; Y47-Y180 HydrophobicContact CD2-CE1 4.12Å; Y47-Y180 HydrophobicContact CG-CE1 4.16Å
48P75.8Confident77.6Confident94 Ų9468.8 Ų68.861%0.6135%0.347SS*.  trans-68.3114177.4-14.928.7000109.8S44 E50S44-P48 WeakPolarHBondContact O-CA 3.47Å; P48-E50 PolarHBondContact O-N 3.23Å
49E60.7Low77.7Confident112 Ų11268.8 Ų68.852%0.52335%0.349SS..PPolyproline II helixtrans-70128.1171.8-67.5179.9156.600108.8Y47 N51 K217Y47-E49 PolarHBondContact O-N 2.97Å; E49-N51 PolarHBondContact O-N 3.41Å; E49-K217 VanDerWaalsContact CD-NZ 3.32Å; E49-K217 WeakPolarHBondContact OE1-CE 3.33Å; E49-K217 IonicContact OE1-NZ 3.53Å; E49-K217 PolarHBondContact OE1-NZ 3.03Å; E49-K217 IonicContact OE2-NZ 2.74Å; E49-K217 PolarHBondContact OE2-NZ 3.25Å
50E52.5Low77.7Confident158 Ų15869 Ų6974%0.73835%0.349SS*.PPolyproline II helixtrans-65.6120.4175.1-71.1-160.6-162.600110P48 E52 K133P48-E50 PolarHBondContact O-N 3.23Å; E50-E52 PolarHBondContact O-N 2.85Å; E50-K133 IonicContact OE2-NZ 3.77Å; E50-K133 PolarHBondContact OE2-NZ 3.4Å
51N49.8Very low77.8Confident146 Ų14669.1 Ų69.178%0.78135%0.35SS*.PPolyproline II helixtrans-70.4123.5175.3-71.1-34.1000110.2E49E49-N51 PolarHBondContact O-N 3.41Å
52E50.1Low78Confident183 Ų18367.6 Ų67.686%0.85535%0.345SS*.PPolyproline II helixtrans-63.1132.1168.8-71.6-179.2159.700110.3E50 T54E50-E52 PolarHBondContact O-N 2.85Å; E52-T54 PolarHBondContact O-N 2.98Å
53V55.8Low77.8Confident67 Ų6768.3 Ų68.341%0.40635%0.349SS..  trans-72.4112.9178.2-178.60000109F56 Y132 K133V53-F56 HydrophobicContact CG1-CD1 4.26Å; V53-Y132 HydrophobicContact CG1-CD1 4.45Å; V53-Y132 HydrophobicContact CG1-CE1 4.39Å; V53-K133 HydrophobicContact CG2-CD 4.46Å
54T59.2Low77.5Confident133 Ų13372.5 Ų72.582%0.81638%0.376SS*.  trans-74.5-27.7-169.231.40000116.3E52E52-T54 PolarHBondContact O-N 2.98Å
55E80.1Confident77.3Confident102 Ų10276.9 Ų76.948%0.47739%0.391SS..  trans-166.4139.9174.5-174.3167.3-140.400111.1S80 N82E55-S80 PolarHBondContact OE1-OG 3.39Å; E55-N82 PolarHBondContact OE1-ND2 3.22Å
56F85.6Confident77Confident11 Ų1175.8 Ų75.85%0.04839%0.386CS..  trans-144.1164.6171.560.2-88.4000111.6V53 V58 S81 V128 A129 Y132 M145V53-F56 HydrophobicContact CG1-CD1 4.26Å; F56-V58 HydrophobicContact CD2-CG2 4.02Å; F56-V58 HydrophobicContact CE2-CG2 3.83Å; F56-S81 PolarHBondContact N-OG 3.18Å; F56-S81 VanDerWaalsContact N-OG 3.08Å; F56-S81 VanDerWaalsContact O-CB 3.29Å; F56-S81 WeakPolarHBondContact O-CB 3.45Å; F56-S81 PolarHBondContact O-N 2.83Å; F56-S81 PolarHBondContact O-OG 3.35Å; F56-V128 HydrophobicContact CE2-CG1 3.72Å; F56-V128 HydrophobicContact CZ-CB 4.29Å; F56-V128 HydrophobicContact CZ-CG1 3.73Å; F56-A129 HydrophobicContact CE1-CB 3.99Å; F56-A129 HydrophobicContact CZ-CB 4.36Å; F56-Y132 HydrophobicContact CB-CD1 3.72Å; F56-Y132 HydrophobicContact CB-CD2 4.2Å; F56-Y132 HydrophobicContact CB-CE1 3.39Å; F56-Y132 HydrophobicContact CB-CE2 3.9Å; F56-Y132 HydrophobicContact CB-CG 4.11Å; F56-Y132 VanDerWaalsContact CB-CZ 3.49Å; F56-Y132 AromaticContact CD1-CD1 3.81Å; F56-Y132 HydrophobicContact CD1-CD1 3.81Å; F56-Y132 HydrophobicContact CD1-CE1 4.3Å; F56-Y132 HydrophobicContact CD1-CG 4.15Å; F56-Y132 HydrophobicContact CD2-CD1 4.07Å; F56-Y132 AromaticContact CD2-CD2 3.76Å; F56-Y132 HydrophobicContact CD2-CD2 3.76Å; F56-Y132 HydrophobicContact CD2-CE2 4.21Å; F56-Y132 AromaticContact CD2-CG 3.66Å; F56-Y132 HydrophobicContact CD2-CG 3.66Å; F56-Y132 HydrophobicContact CE1-CD1 4.47Å; F56-Y132 HydrophobicContact CE2-CD2 4.41Å; F56-Y132 HydrophobicContact CE2-CG 4.11Å; F56-Y132 AromaticContact CG-CD1 3.59Å; F56-Y132 HydrophobicContact CG-CD1 3.59Å; F56-Y132 HydrophobicContact CG-CD2 4.06Å; F56-Y132 AromaticContact CG-CE1 3.85Å; F56-Y132 HydrophobicContact CG-CE1 3.85Å; F56-Y132 HydrophobicContact CG-CE2 4.27Å; F56-Y132 AromaticContact CG-CG 3.7Å; F56-Y132 HydrophobicContact CG-CG 3.7Å; F56-M145 HydrophobicContact CE2-CE 4.02Å
57F90.2Very high76.7Confident99 Ų9980.2 Ų80.243%0.43441%0.406SS..EExtended strand (participates in β ladder)trans-111.1149.4-177.2-67.5-86.6000112.2P78 Y79 P144 M145F57-P78 HydrophobicContact CB-CB 4.38Å; F57-Y79 CarbonylContact C-O 3.55Å; F57-Y79 VanDerWaalsContact CA-O 3.24Å; F57-Y79 WeakPolarHBondContact CA-O 3.31Å; F57-P144 HydrophobicContact CB-CB 4.02Å; F57-P144 HydrophobicContact CB-CG 4.36Å; F57-P144 CarbonylContact O-C 3.49Å; F57-P144 WeakPolarHBondContact O-CA 3.28Å; F57-M145 PolarHBondContact O-N 3Å
58V91.3Very high76.4Confident0 Ų083.4 Ų83.40%043%0.43CS..EExtended strand (participates in β ladder)trans-131133.6-175.5-175.60000111F56 L60 P78 Y79 I86 I93 M145 I147F56-V58 HydrophobicContact CD2-CG2 4.02Å; F56-V58 HydrophobicContact CE2-CG2 3.83Å; V58-L60 HydrophobicContact CG1-CD2 3.68Å; V58-L60 HydrophobicContact CG1-CG 4.44Å; V58-P78 CarbonylContact O-C 3.57Å; V58-P78 WeakPolarHBondContact O-CA 3.48Å; V58-Y79 PolarHBondContact N-O 2.89Å; V58-Y79 PolarHBondContact O-N 3.43Å; V58-I86 HydrophobicContact CB-CG2 4.01Å; V58-I86 HydrophobicContact CG2-CG2 3.71Å; V58-I93 HydrophobicContact CG1-CD1 4.5Å; V58-M145 CarbonylContact C-O 3.54Å; V58-M145 WeakPolarHBondContact CA-O 3.47Å; V58-M145 HydrophobicContact CG1-CE 4.42Å; V58-M145 HydrophobicContact CG2-CB 4.41Å; V58-M145 HydrophobicContact CG2-CE 3.85Å; V58-I147 HydrophobicContact CG1-CD1 3.38Å; V58-I147 HydrophobicContact CG1-CG1 3.78Å
59T92.5Very high76.1Confident24 Ų2485.5 Ų85.515%0.14743%0.43CS..EExtended strand (participates in β ladder)trans-115.3122.9177-600000109.6E61 N77 M145 I147T59-E61 HydrophobicContact CG2-CG 4.13Å; T59-N77 HydrophobicContact CG2-CB 4.16Å; T59-M145 PolarHBondContact N-O 3.27Å; T59-I147 PolarHBondContact O-N 3.33Å
60L92.8Very high77Confident3 Ų380.5 Ų80.52%0.01641%0.406CS..EExtended strand (participates in β ladder)trans-105.8113.4-175.4-54179.9000111.2V58 M74 N77 Y79 I86 I93 I97 I147 Y149V58-L60 HydrophobicContact CG1-CD2 3.68Å; V58-L60 HydrophobicContact CG1-CG 4.44Å; L60-M74 HydrophobicContact CB-CB 4.38Å; L60-M74 HydrophobicContact CB-CG 3.98Å; L60-M74 HydrophobicContact CD1-CE 3.66Å; L60-M74 HydrophobicContact CD1-CG 4.47Å; L60-N77 PolarHBondContact N-OD1 3.42Å; L60-N77 PolarHBondContact O-ND2 3.49Å; L60-Y79 HydrophobicContact CD1-CD2 4.02Å; L60-Y79 HydrophobicContact CD1-CE2 3.86Å; L60-Y79 HydrophobicContact CG-CD2 4.15Å; L60-Y79 HydrophobicContact CG-CE2 4.16Å; L60-I86 HydrophobicContact CD1-CD1 4.07Å; L60-I93 HydrophobicContact CD1-CG2 4.09Å; L60-I93 HydrophobicContact CD2-CG2 3.5Å; L60-I93 HydrophobicContact CG-CG2 4.46Å; L60-I97 HydrophobicContact CD1-CD1 4.19Å; L60-I97 HydrophobicContact CD1-CG1 3.85Å; L60-I97 HydrophobicContact CD2-CD1 4.4Å; L60-I147 WeakPolarHBondContact CA-O 3.34Å; L60-I147 HydrophobicContact CD2-CB 3.8Å; L60-I147 HydrophobicContact CD2-CD1 3.87Å; L60-I147 HydrophobicContact CD2-CG1 4.17Å; L60-I147 HydrophobicContact CD2-CG2 4.41Å; L60-Y149 HydrophobicContact CB-CE1 4.42Å
61E91.2Very high77.9Confident70 Ų7079.8 Ų79.833%0.32740%0.403SS..EExtended strand (participates in β ladder)trans-123.6151-175.9-69.3179.2-173.400112.5T59 R146 I147 V148 Y149T59-E61 HydrophobicContact CG2-CG 4.13Å; E61-R146 IonicContact OE1-NE 2.68Å; E61-R146 IonicContact OE2-CZ 3.38Å; E61-R146 IonicContact OE2-NE 3.08Å; E61-R146 PolarHBondContact OE2-NE 3Å; E61-R146 IonicContact OE2-NH2 3.88Å; E61-R146 PolarHBondContact OE2-NH2 3.39Å; E61-I147 PolarHBondContact N-O 2.71Å; E61-V148 CarbonylContact O-C 3.47Å; E61-V148 VanDerWaalsContact O-CA 3.25Å; E61-V148 WeakPolarHBondContact O-CA 3.3Å; E61-Y149 VanDerWaalsContact C-CE1 3.41Å; E61-Y149 WeakPolarHBondContact O-CD1 3.38Å; E61-Y149 WeakPolarHBondContact O-CE1 3.5Å; E61-Y149 PolarHBondContact O-N 3.44Å
62K89.9Confident79.1Confident32 Ų3274.4 Ų74.414%0.13938%0.382CS..EExtended strand (participates in β ladder)trans-77.6151.4172.3-68-176177.7-176.10110.8P64 E67 L70 G72 Y149K62-P64 WeakPolarHBondContact O-CD 3.34Å; K62-E67 HydrophobicContact CB-CG 4.22Å; K62-E67 HydrophobicContact CD-CG 4.47Å; K62-L70 HydrophobicContact CB-CD1 4.47Å; K62-L70 HydrophobicContact CD-CB 4.01Å; K62-L70 HydrophobicContact CD-CD1 4.42Å; K62-L70 HydrophobicContact CG-CD1 4.23Å; K62-L70 PolarHBondContact NZ-O 3.09Å; K62-G72 WeakPolarHBondContact CE-O 3.48Å; K62-G72 PolarHBondContact NZ-O 2.93Å; K62-Y149 WeakPolarHBondContact CE-OH 3.35Å; K62-Y149 HydrophobicContact CG-CE1 4.17Å; K62-Y149 HydrophobicContact CG-CE2 3.61Å; K62-Y149 WeakPolarHBondContact CG-OH 3.29Å
63D86Confident80.4Confident16 Ų1675.4 Ų75.49%0.08638%0.378CS..  trans-64.5122.4163.3-170.4-39.2000110.1Q65 Q66 E67 V148 Y149 R150D63-Q65 PolarHBondContact O-N 2.87Å; D63-Q65 VanDerWaalsContact O-N 3.1Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.38Å; D63-Q65 PolarHBondContact OD1-N 2.8Å; D63-Q66 HydrophobicContact CB-CB 4.47Å; D63-Q66 CarbonylContact O-C 3.58Å; D63-Q66 PolarHBondContact O-N 3.2Å; D63-E67 PolarHBondContact O-N 2.81Å; D63-V148 HydrophobicContact CB-CG1 4.05Å; D63-Y149 PolarHBondContact N-O 2.89Å; D63-Y149 VanDerWaalsContact N-O 3.15Å; D63-R150 HydrophobicContact CB-CB 3.7Å; D63-R150 VanDerWaalsContact OD2-CD 3.29Å; D63-R150 WeakPolarHBondContact OD2-CD 3.49Å; D63-R150 IonicContact OD2-NH1 3.97Å
64P83.5Confident81.7Confident91 Ų9172.9 Ų72.959%0.59136%0.362SS*.THydrogen-bonded Turntrans-54.5-28.6179.5-27.535.9000114.2K62 Q66K62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-Q66 VanDerWaalsContact C-N 3.31Å
65Q81.1Confident82.4Confident143 Ų14372.3 Ų72.367%0.66836%0.361SS*.THydrogen-bonded Turntrans-80.6-14.2-179-58.1-175.613.400112.8D63 L155D63-Q65 PolarHBondContact O-N 2.87Å; D63-Q65 VanDerWaalsContact O-N 3.1Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.38Å; D63-Q65 PolarHBondContact OD1-N 2.8Å; Q65-L155 HydrophobicContact CB-CD1 3.83Å
66Q80.3Confident82.3Confident3 Ų369.1 Ų69.11%0.01436%0.355CS..SBendtrans-12014-178.8-57.5-16915.600113.3D63 P64 D68 F69 L70 M151 L155D63-Q66 HydrophobicContact CB-CB 4.47Å; D63-Q66 CarbonylContact O-C 3.58Å; D63-Q66 PolarHBondContact O-N 3.2Å; P64-Q66 VanDerWaalsContact C-N 3.31Å; Q66-D68 PolarHBondContact O-N 2.94Å; Q66-F69 PolarHBondContact O-N 2.7Å; Q66-L70 PolarHBondContact O-N 2.98Å; Q66-M151 PolarHBondContact NE2-O 3.09Å; Q66-M151 PolarHBondContact OE1-O 3.14Å; Q66-L155 HydrophobicContact CG-CD1 3.92Å; Q66-L155 HydrophobicContact CG-CG 4.37Å
67E79.5Confident82.3Confident99 Ų9971.4 Ų71.446%0.46337%0.368SS..THydrogen-bonded Turntrans-56.2-36.4-178-81.8-170.2-17100113.4K62 D63 F69K62-E67 HydrophobicContact CB-CG 4.22Å; K62-E67 HydrophobicContact CD-CG 4.47Å; D63-E67 PolarHBondContact O-N 2.81Å; E67-F69 VanDerWaalsContact C-N 3.3Å; E67-F69 PolarHBondContact O-N 3.22Å
68D76.2Confident82.1Confident165 Ų16570.1 Ų70.188%0.88237%0.369SS*.THydrogen-bonded Turntrans-74.3-18.3-179.8-67.7-31.5000113.4Q66Q66-D68 PolarHBondContact O-N 2.94Å
69F70.7Confident82Confident139 Ų13970.4 Ų70.461%0.6137%0.37SS*.THydrogen-bonded Turntrans-97.6-21.1-177.2-62.2-84.5000113.2Q66 E67 L154Q66-F69 PolarHBondContact O-N 2.7Å; E67-F69 VanDerWaalsContact C-N 3.3Å; E67-F69 PolarHBondContact O-N 3.22Å; F69-L154 HydrophobicContact CB-CD1 3.89Å; F69-L154 HydrophobicContact CD1-CD1 4.29Å; F69-L154 HydrophobicContact CD2-CD1 4.43Å; F69-L154 HydrophobicContact CG-CD1 3.96Å
70L78.6Confident81.8Confident7 Ų770.2 Ų70.24%0.03737%0.369CS..SBendtrans-98.2124.2177.1-70.4166.2000109.4K62 Q66 L103 Y149 M151K62-L70 HydrophobicContact CB-CD1 4.47Å; K62-L70 HydrophobicContact CD-CB 4.01Å; K62-L70 HydrophobicContact CD-CD1 4.42Å; K62-L70 HydrophobicContact CG-CD1 4.23Å; K62-L70 PolarHBondContact NZ-O 3.09Å; Q66-L70 PolarHBondContact O-N 2.98Å; L70-L103 HydrophobicContact CD2-CD1 4.05Å; L70-Y149 HydrophobicContact CD1-CD2 3.98Å; L70-Y149 HydrophobicContact CD1-CE2 3.99Å; L70-M151 HydrophobicContact CD2-CG 3.81Å; L70-M151 HydrophobicContact CD2-SD 3.98Å; L70-M151 HydrophobicContact CG-CG 4.41Å
71Q71.5Confident81.5Confident142 Ų14271.1 Ų71.166%0.66438%0.376SS*.  trans-82.7158.4174.2-164.2168.1-24.200111C101Q71-C101 WeakPolarHBondContact O-CB 3.48Å
72G74.9Confident81.2Confident33 Ų3373.1 Ų73.134%0.3439%0.389SS..  trans79.6170.3175.400000115.5K62K62-G72 WeakPolarHBondContact CE-O 3.48Å; K62-G72 PolarHBondContact NZ-O 2.93Å
73R76.7Confident80.9Confident204 Ų20475.1 Ų75.177%0.7740%0.399SS*.  trans-141.8144.4169.3-72.7-174.1178.6-171.1-3.6107.6P75R73-P75 WeakPolarHBondContact O-CD 3.43Å
74M84.6Confident80.6Confident15 Ų1580 Ų807%0.07443%0.431CS..  trans-73.2109.4175.4-64.7-54.1-77.500109.7L60 Y79 K96 I97 D100 Y149L60-M74 HydrophobicContact CB-CB 4.38Å; L60-M74 HydrophobicContact CB-CG 3.98Å; L60-M74 HydrophobicContact CD1-CE 3.66Å; L60-M74 HydrophobicContact CD1-CG 4.47Å; M74-Y79 HydrophobicContact CB-CE2 4.39Å; M74-Y79 HydrophobicContact CE-CE2 4.18Å; M74-K96 HydrophobicContact CE-CG 4.16Å; M74-I97 HydrophobicContact CE-CG1 4.13Å; M74-I97 HydrophobicContact SD-CB 4.46Å; M74-I97 HydrophobicContact SD-CG1 4.21Å; M74-D100 HydrophobicContact CE-CB 4.01Å; M74-D100 HydrophobicContact SD-CB 3.87Å; M74-Y149 HydrophobicContact CG-CE1 4.18Å
75P72.8Confident80.5Confident121 Ų12176.8 Ų76.879%0.78642%0.415SS*.THydrogen-bonded Turntrans-86.5-7.9-169.434-32.1000114.1R73R73-P75 WeakPolarHBondContact O-CD 3.43Å
76G78.5Confident80.8Confident34 Ų3470.1 Ų70.135%0.35138%0.384SS..THydrogen-bonded Turntrans-11018.4-171.700000116.3P78 Y79G76-P78 CarbonylContact O-C 3.36Å; G76-Y79 VanDerWaalsContact C-CZ 3.44Å; G76-Y79 WeakPolarHBondContact CA-OH 3.26Å; G76-Y79 PolarHBondContact N-OH 3.22Å; G76-Y79 WeakPolarHBondContact O-CE1 3.4Å
77N85.4Confident80.9Confident60 Ų6071.1 Ų71.132%0.32140%0.395SS..PPolyproline II helixtrans-66139.1177.2-75.7-30.5000112.3T59 L60 Y79T59-N77 HydrophobicContact CG2-CB 4.16Å; L60-N77 PolarHBondContact N-OD1 3.42Å; L60-N77 PolarHBondContact O-ND2 3.49Å; N77-Y79 WeakPolarHBondContact OD1-CD2 3.48Å; N77-Y79 WeakPolarHBondContact OD1-CE2 3.2Å
78P86.7Confident81.1Confident71 Ų7171.3 Ų71.346%0.46141%0.405SS..SBendcis-83.2143.4-9.733.6-33.3000112.8F57 V58 G76 P144F57-P78 HydrophobicContact CB-CB 4.38Å; V58-P78 CarbonylContact O-C 3.57Å; V58-P78 WeakPolarHBondContact O-CA 3.48Å; G76-P78 CarbonylContact O-C 3.36Å; P78-P144 HydrophobicContact CB-CB 4.27Å
79Y89.3Confident81.8Confident7 Ų766.1 Ų66.13%0.02738%0.377CS..EExtended strand (participates in β ladder)trans-91.1149.3177.6-57.6-84.3000111.8F57 V58 L60 M74 G76 N77 E83 I86F57-Y79 CarbonylContact C-O 3.55Å; F57-Y79 VanDerWaalsContact CA-O 3.24Å; F57-Y79 WeakPolarHBondContact CA-O 3.31Å; V58-Y79 PolarHBondContact N-O 2.89Å; V58-Y79 PolarHBondContact O-N 3.43Å; L60-Y79 HydrophobicContact CD1-CD2 4.02Å; L60-Y79 HydrophobicContact CD1-CE2 3.86Å; L60-Y79 HydrophobicContact CG-CD2 4.15Å; L60-Y79 HydrophobicContact CG-CE2 4.16Å; M74-Y79 HydrophobicContact CB-CE2 4.39Å; M74-Y79 HydrophobicContact CE-CE2 4.18Å; G76-Y79 VanDerWaalsContact C-CZ 3.44Å; G76-Y79 WeakPolarHBondContact CA-OH 3.26Å; G76-Y79 PolarHBondContact N-OH 3.22Å; G76-Y79 WeakPolarHBondContact O-CE1 3.4Å; N77-Y79 WeakPolarHBondContact OD1-CD2 3.48Å; N77-Y79 WeakPolarHBondContact OD1-CE2 3.2Å; Y79-E83 WeakPolarHBondContact CD1-OE1 3.35Å; Y79-E83 WeakPolarHBondContact CD1-OE2 3.42Å; Y79-I86 HydrophobicContact CD2-CD1 4.22Å; Y79-I86 HydrophobicContact CG-CD1 4.06Å; Y79-I86 HydrophobicContact CG-CG1 4.27Å
80S88.4Confident82.8Confident19 Ų1959.5 Ų59.513%0.13335%0.348CS..EExtended strand (participates in β ladder)trans-82.1147.4172.4167.70000111E55 N82 E83E55-S80 PolarHBondContact OE1-OG 3.39Å; S80-N82 PolarHBondContact O-N 2.91Å; S80-N82 VanDerWaalsContact O-N 3.15Å; S80-N82 PolarHBondContact OG-N 3.44Å; S80-N82 VanDerWaalsContact OG-N 3.15Å; S80-E83 WeakPolarHBondContact O-CB 3.4Å; S80-E83 PolarHBondContact O-N 2.94Å
81S86.3Confident83.5Confident23 Ų2362 Ų6216%0.16136%0.357CS..THydrogen-bonded Turntrans-60.1-18.9172.263.40000113.4F56F56-S81 PolarHBondContact N-OG 3.18Å; F56-S81 VanDerWaalsContact N-OG 3.08Å; F56-S81 VanDerWaalsContact O-CB 3.29Å; F56-S81 WeakPolarHBondContact O-CB 3.45Å; F56-S81 PolarHBondContact O-N 2.83Å; F56-S81 PolarHBondContact O-OG 3.35Å
82N83.6Confident84.4Confident111 Ų11157.3 Ų57.359%0.59434%0.336SS*.THydrogen-bonded Turntrans-88.4-4.2176.5-65-40.1000113E55 S80E55-N82 PolarHBondContact OE1-ND2 3.22Å; S80-N82 PolarHBondContact O-N 2.91Å; S80-N82 VanDerWaalsContact O-N 3.15Å; S80-N82 PolarHBondContact OG-N 3.44Å; S80-N82 VanDerWaalsContact OG-N 3.15Å
83E84.8Confident85.2Confident75 Ų7555.7 Ų55.735%0.3532%0.32SS..SBendtrans-77.9140.8-178.9-165.5174.4152.600111.7Y79 S80 G85 I86Y79-E83 WeakPolarHBondContact CD1-OE1 3.35Å; Y79-E83 WeakPolarHBondContact CD1-OE2 3.42Å; S80-E83 WeakPolarHBondContact O-CB 3.4Å; S80-E83 PolarHBondContact O-N 2.94Å; E83-G85 PolarHBondContact O-N 2.92Å; E83-I86 HydrophobicContact CB-CG1 4.38Å; E83-I86 PolarHBondContact O-N 2.91Å; E83-I86 VanDerWaalsContact O-N 3.08Å
84P79.3Confident85.9Confident117 Ų11746 Ų4676%0.7628%0.283SS*.THydrogen-bonded Turntrans-56122.3178.1-25.134.1000112.6
85G81.6Confident86.2Confident25 Ų2547 Ų4726%0.25829%0.289SS..THydrogen-bonded Turntrans92.32.2-179.800000115.1E83 D92 I93E83-G85 PolarHBondContact O-N 2.92Å; G85-D92 CarbonylContact O-C 3.49Å; G85-D92 VanDerWaalsContact O-O 3.04Å; G85-I93 WeakPolarHBondContact O-CA 3.46Å; G85-I93 PolarHBondContact O-N 3.27Å
86I87.5Confident87Confident2 Ų242.5 Ų42.51%0.0126%0.257CS..SBendtrans-105.143.2171.6-53.7-69.8000110.1V58 L60 Y79 E83 I93 K96V58-I86 HydrophobicContact CB-CG2 4.01Å; V58-I86 HydrophobicContact CG2-CG2 3.71Å; L60-I86 HydrophobicContact CD1-CD1 4.07Å; Y79-I86 HydrophobicContact CD2-CD1 4.22Å; Y79-I86 HydrophobicContact CG-CD1 4.06Å; Y79-I86 HydrophobicContact CG-CG1 4.27Å; E83-I86 HydrophobicContact CB-CG1 4.38Å; E83-I86 PolarHBondContact O-N 2.91Å; E83-I86 VanDerWaalsContact O-N 3.08Å; I86-I93 HydrophobicContact CD1-CG1 4.3Å; I86-I93 HydrophobicContact CG2-CD1 4.32Å; I86-I93 HydrophobicContact CG2-CG1 4.4Å; I86-K96 HydrophobicContact CD1-CD 3.66Å; I86-K96 HydrophobicContact CG1-CD 4.04Å
87G83.2Confident87.5Confident24 Ų2440.9 Ų40.925%0.24724%0.241CC..  trans139.7173.3179.900000113.1
88P82.9Confident87.5Confident103 Ų10338 Ų3867%0.66923%0.225SC*.SBendcis-76.4-19.49.329.9-36.1000116D92 P127 V128P88-D92 WeakPolarHBondContact CD-OD2 3.37Å; P88-D92 VanDerWaalsContact N-OD2 3.09Å; P88-P127 CarbonylContact O-C 3.5Å; P88-P127 WeakPolarHBondContact O-CA 3.34Å; P88-V128 PolarHBondContact O-N 3.24Å
89L90.9Very high87.5Confident56 Ų5640.6 Ų40.629%0.29323%0.231SC..BIsolated β-bridgetrans-107.8156.7-175.9-61.2179.5000112.4R91 D92 D125 P127 V128L89-R91 HydrophobicContact CB-CB 4.27Å; L89-R91 PolarHBondContact O-N 3.33Å; L89-R91 VanDerWaalsContact O-N 3.17Å; L89-D92 PolarHBondContact N-OD2 3.48Å; L89-D92 WeakPolarHBondContact O-CB 3.13Å; L89-D92 PolarHBondContact O-N 3.38Å; L89-D125 WeakPolarHBondContact CD2-O 3.42Å; L89-P127 HydrophobicContact CD2-CG 4.4Å; L89-V128 WeakPolarHBondContact O-CG2 3.45Å
90M92.2Very high87.3Confident0 Ų043.9 Ų43.90%025%0.249CC..Hα-helixtrans-58.7-27174-69.2-64.4-68.700112.3D92 I93 K94 L115 V117 I122 L124 L126 V128 V131 I147M90-D92 VanDerWaalsContact C-N 3.3Å; M90-D92 PolarHBondContact O-N 2.96Å; M90-I93 WeakPolarHBondContact O-CB 3.33Å; M90-I93 PolarHBondContact O-N 3.2Å; M90-I93 HydrophobicContact SD-CD1 4.17Å; M90-K94 PolarHBondContact O-N 2.99Å; M90-K94 VanDerWaalsContact O-N 3.13Å; M90-L115 HydrophobicContact CB-CD1 4.45Å; M90-L115 HydrophobicContact CE-CB 4.21Å; M90-L115 HydrophobicContact CE-CD1 4.03Å; M90-L115 VanDerWaalsContact O-CD1 3.28Å; M90-L115 WeakPolarHBondContact O-CD1 3.47Å; M90-V117 HydrophobicContact CE-CG2 4.07Å; M90-I122 HydrophobicContact CE-CB 4.15Å; M90-I122 HydrophobicContact CE-CG2 4.09Å; M90-I122 HydrophobicContact CG-CG2 3.91Å; M90-L124 PolarHBondContact N-O 3.26Å; M90-L126 WeakPolarHBondContact CG-O 3.44Å; M90-L126 PolarHBondContact N-O 3.45Å; M90-V128 HydrophobicContact CG-CG2 4.42Å; M90-V128 HydrophobicContact SD-CB 4.37Å; M90-V128 HydrophobicContact SD-CG1 4.29Å; M90-V128 HydrophobicContact SD-CG2 3.98Å; M90-V131 HydrophobicContact CG-CG2 4.03Å; M90-V131 HydrophobicContact SD-CB 4.31Å; M90-V131 HydrophobicContact SD-CG1 4.27Å; M90-V131 HydrophobicContact SD-CG2 4.21Å; M90-I147 HydrophobicContact CE-CD1 3.97Å; M90-I147 HydrophobicContact CE-CG2 4.47Å
91R91.9Very high87.1Confident59 Ų5943.1 Ų43.122%0.22324%0.244CC..Hα-helixtrans-57.6-37.1170.2-169179.1-63.3-82.85.2113.7L89 I93 K94 N95 D110 L124 D125L89-R91 HydrophobicContact CB-CB 4.27Å; L89-R91 PolarHBondContact O-N 3.33Å; L89-R91 VanDerWaalsContact O-N 3.17Å; R91-I93 VanDerWaalsContact C-N 3.31Å; R91-I93 PolarHBondContact O-N 2.84Å; R91-K94 WeakPolarHBondContact O-CB 3.33Å; R91-K94 PolarHBondContact O-N 3.29Å; R91-N95 WeakPolarHBondContact O-CB 3.4Å; R91-N95 VanDerWaalsContact O-CG 3.25Å; R91-N95 PolarHBondContact O-N 2.84Å; R91-N95 PolarHBondContact O-ND2 3.41Å; R91-D110 IonicContact CZ-OD2 3.6Å; R91-D110 IonicContact NH1-OD1 2.72Å; R91-D110 PolarHBondContact NH1-OD1 3.32Å; R91-D110 IonicContact NH1-OD2 3.76Å; R91-D110 PolarHBondContact NH1-OD2 3.08Å; R91-L124 HydrophobicContact CB-CB 4.04Å; R91-L124 WeakPolarHBondContact CB-O 3.38Å; R91-L124 PolarHBondContact N-O 3.38Å; R91-D125 IonicContact CZ-OD1 3.13Å; R91-D125 IonicContact NE-OD1 3.06Å; R91-D125 PolarHBondContact NE-OD1 3.11Å; R91-D125 IonicContact NH2-OD1 2.82Å; R91-D125 PolarHBondContact NH2-OD1 3.36Å; R91-D125 IonicContact NH2-OD2 3.27Å; R91-D125 PolarHBondContact NH2-OD2 2.83Å
92D91.3Very high86.8Confident44 Ų4447.7 Ų47.724%0.23527%0.266CS..Hα-helixtrans-66.9-39.1179.9-60-50.5000110.5G85 P88 L89 M90 N95 K96G85-D92 CarbonylContact O-C 3.49Å; G85-D92 VanDerWaalsContact O-O 3.04Å; P88-D92 WeakPolarHBondContact CD-OD2 3.37Å; P88-D92 VanDerWaalsContact N-OD2 3.09Å; L89-D92 PolarHBondContact N-OD2 3.48Å; L89-D92 WeakPolarHBondContact O-CB 3.13Å; L89-D92 PolarHBondContact O-N 3.38Å; M90-D92 VanDerWaalsContact C-N 3.3Å; M90-D92 PolarHBondContact O-N 2.96Å; D92-N95 PolarHBondContact O-N 2.99Å; D92-K96 WeakPolarHBondContact O-CB 3.13Å; D92-K96 PolarHBondContact O-N 2.88Å
93I92Very high86.6Confident0 Ų043.6 Ų43.60%025%0.245CC..Hα-helixtrans-62.8-45.5174.2-64.3177.1000110.8V58 L60 G85 I86 M90 R91 N95 K96 I97 L115 V128 I147V58-I93 HydrophobicContact CG1-CD1 4.5Å; L60-I93 HydrophobicContact CD1-CG2 4.09Å; L60-I93 HydrophobicContact CD2-CG2 3.5Å; L60-I93 HydrophobicContact CG-CG2 4.46Å; G85-I93 WeakPolarHBondContact O-CA 3.46Å; G85-I93 PolarHBondContact O-N 3.27Å; I86-I93 HydrophobicContact CD1-CG1 4.3Å; I86-I93 HydrophobicContact CG2-CD1 4.32Å; I86-I93 HydrophobicContact CG2-CG1 4.4Å; M90-I93 WeakPolarHBondContact O-CB 3.33Å; M90-I93 PolarHBondContact O-N 3.2Å; M90-I93 HydrophobicContact SD-CD1 4.17Å; R91-I93 VanDerWaalsContact C-N 3.31Å; R91-I93 PolarHBondContact O-N 2.84Å; I93-N95 PolarHBondContact O-N 3.13Å; I93-K96 PolarHBondContact O-N 3.38Å; I93-I97 HydrophobicContact CG2-CD1 3.99Å; I93-I97 VanDerWaalsContact O-CG1 3.31Å; I93-I97 WeakPolarHBondContact O-CG1 3.33Å; I93-I97 PolarHBondContact O-N 3.19Å; I93-L115 HydrophobicContact CB-CD1 4.31Å; I93-L115 HydrophobicContact CG2-CD1 4.21Å; I93-V128 HydrophobicContact CD1-CB 4.39Å; I93-V128 HydrophobicContact CD1-CG1 3.68Å; I93-V128 HydrophobicContact CD1-CG2 3.67Å; I93-V128 HydrophobicContact CG1-CG2 4.25Å; I93-I147 HydrophobicContact CD1-CD1 3.56Å; I93-I147 HydrophobicContact CG2-CD1 4.07Å
94K91.4Very high86.1Confident0 Ų044.3 Ų44.30%025%0.254CS..Hα-helixtrans-57.4-49.4174.1-180-146.5162.5-160.40110.7M90 R91 K96 I97 C98 L106 D109 D110 M113 L115 L124M90-K94 PolarHBondContact O-N 2.99Å; M90-K94 VanDerWaalsContact O-N 3.13Å; R91-K94 WeakPolarHBondContact O-CB 3.33Å; R91-K94 PolarHBondContact O-N 3.29Å; K94-K96 VanDerWaalsContact C-N 3.3Å; K94-K96 PolarHBondContact O-N 3.39Å; K94-I97 WeakPolarHBondContact O-CB 3.47Å; K94-I97 PolarHBondContact O-N 3.39Å; K94-I97 VanDerWaalsContact O-N 3.14Å; K94-C98 PolarHBondContact O-N 3.49Å; K94-C98 PolarHBondContact O-SG 2.95Å; K94-C98 VanDerWaalsContact O-SG 3.34Å; K94-L106 WeakPolarHBondContact CE-O 3.2Å; K94-L106 PolarHBondContact NZ-O 3.2Å; K94-D109 VanDerWaalsContact NZ-C 3.27Å; K94-D109 PolarHBondContact NZ-O 3.43Å; K94-D110 VanDerWaalsContact NZ-CA 3.31Å; K94-D110 IonicContact NZ-OD1 3.18Å; K94-D110 PolarHBondContact NZ-OD1 3.32Å; K94-M113 HydrophobicContact CG-CB 4.37Å; K94-M113 HydrophobicContact CG-CG 4.48Å; K94-M113 HydrophobicContact CG-SD 3.99Å; K94-L115 HydrophobicContact CB-CD1 4.1Å; K94-L124 HydrophobicContact CB-CD2 3.97Å; K94-L124 HydrophobicContact CD-CD1 3.74Å; K94-L124 HydrophobicContact CD-CD2 4.31Å; K94-L124 HydrophobicContact CG-CD2 4.47Å
95N90.6Very high85.8Confident37 Ų3743 Ų4320%0.19825%0.253CS..Hα-helixtrans-61.6-38.9-179.1-71.7-18000112.1R91 D92 I93 C98 Q99 L107R91-N95 WeakPolarHBondContact O-CB 3.4Å; R91-N95 VanDerWaalsContact O-CG 3.25Å; R91-N95 PolarHBondContact O-N 2.84Å; R91-N95 PolarHBondContact O-ND2 3.41Å; D92-N95 PolarHBondContact O-N 2.99Å; I93-N95 PolarHBondContact O-N 3.13Å; N95-C98 PolarHBondContact O-N 2.96Å; N95-Q99 WeakPolarHBondContact O-CG 3.34Å; N95-Q99 PolarHBondContact O-N 2.82Å; N95-L107 HydrophobicContact CB-CD2 4.12Å
96K89.7Confident85.5Confident26 Ų2642.7 Ų42.711%0.11325%0.245CC..Hα-helixtrans-62.6-44.9173.4-179.2168.9172.553.20111.9M74 I86 D92 I93 K94 C98 Q99 D100M74-K96 HydrophobicContact CE-CG 4.16Å; I86-K96 HydrophobicContact CD1-CD 3.66Å; I86-K96 HydrophobicContact CG1-CD 4.04Å; D92-K96 WeakPolarHBondContact O-CB 3.13Å; D92-K96 PolarHBondContact O-N 2.88Å; I93-K96 PolarHBondContact O-N 3.38Å; K94-K96 VanDerWaalsContact C-N 3.3Å; K94-K96 PolarHBondContact O-N 3.39Å; K96-C98 VanDerWaalsContact C-N 3.31Å; K96-C98 PolarHBondContact O-N 2.74Å; K96-Q99 PolarHBondContact O-N 3.46Å; K96-D100 IonicContact NZ-OD2 2.84Å; K96-D100 PolarHBondContact NZ-OD2 3.24Å; K96-D100 WeakPolarHBondContact O-CB 3.38Å; K96-D100 PolarHBondContact O-N 3.34Å
97I88.2Confident84.9Confident0 Ų044.9 Ų44.90%026%0.257CS..Hα-helixtrans-59.1-45174-66.7160.8000110.3L60 M74 I93 K94 Q99 C101 M113 L115 Y149L60-I97 HydrophobicContact CD1-CD1 4.19Å; L60-I97 HydrophobicContact CD1-CG1 3.85Å; L60-I97 HydrophobicContact CD2-CD1 4.4Å; M74-I97 HydrophobicContact CE-CG1 4.13Å; M74-I97 HydrophobicContact SD-CB 4.46Å; M74-I97 HydrophobicContact SD-CG1 4.21Å; I93-I97 HydrophobicContact CG2-CD1 3.99Å; I93-I97 VanDerWaalsContact O-CG1 3.31Å; I93-I97 WeakPolarHBondContact O-CG1 3.33Å; I93-I97 PolarHBondContact O-N 3.19Å; K94-I97 WeakPolarHBondContact O-CB 3.47Å; K94-I97 PolarHBondContact O-N 3.39Å; K94-I97 VanDerWaalsContact O-N 3.14Å; I97-Q99 PolarHBondContact O-N 2.65Å; I97-C101 WeakPolarHBondContact O-CB 3.47Å; I97-C101 PolarHBondContact O-N 3.16Å; I97-M113 HydrophobicContact CG2-CE 4.2Å; I97-M113 HydrophobicContact CG2-SD 4.06Å; I97-L115 HydrophobicContact CD1-CD2 3.88Å; I97-Y149 HydrophobicContact CD1-CD1 3.69Å; I97-Y149 HydrophobicContact CD1-CE1 4.32Å; I97-Y149 HydrophobicContact CD1-CG 3.9Å; I97-Y149 HydrophobicContact CG1-CD1 4.31Å; I97-Y149 HydrophobicContact CG1-CE1 4.47Å; I97-Y149 HydrophobicContact CG2-CD1 4.23Å; I97-Y149 HydrophobicContact CG2-CD2 3.72Å; I97-Y149 HydrophobicContact CG2-CE1 4.19Å; I97-Y149 HydrophobicContact CG2-CE2 3.66Å; I97-Y149 HydrophobicContact CG2-CG 4.02Å
98C86.9Confident84.5Confident0 Ų052.8 Ų52.80%029%0.287CS..Hα-helixtrans-65.6-36.9-179.3-67.10000113.1K94 N95 K96 D102 L103 L107K94-C98 PolarHBondContact O-N 3.49Å; K94-C98 PolarHBondContact O-SG 2.95Å; K94-C98 VanDerWaalsContact O-SG 3.34Å; N95-C98 PolarHBondContact O-N 2.96Å; K96-C98 VanDerWaalsContact C-N 3.31Å; K96-C98 PolarHBondContact O-N 2.74Å; C98-D102 PolarHBondContact O-N 2.87Å; C98-L103 HydrophobicContact CB-CB 4.36Å; C98-L103 PolarHBondContact O-N 3.3Å; C98-L107 HydrophobicContact CB-CD2 3.71Å; C98-L107 HydrophobicContact CB-CG 3.8Å
99Q86.1Confident84.5Confident124 Ų12450.9 Ų50.958%0.57927%0.271SS*.Hα-helixtrans-71-49.1176.1-72.4168.317.400111.9N95 K96 I97 C101 D102 L107N95-Q99 WeakPolarHBondContact O-CG 3.34Å; N95-Q99 PolarHBondContact O-N 2.82Å; K96-Q99 PolarHBondContact O-N 3.46Å; I97-Q99 PolarHBondContact O-N 2.65Å; Q99-C101 VanDerWaalsContact C-N 3.31Å; Q99-C101 PolarHBondContact O-N 3.49Å; Q99-D102 PolarHBondContact O-N 2.92Å; Q99-L107 HydrophobicContact CG-CD1 4.18Å; Q99-L107 HydrophobicContact CG-CD2 3.98Å
100D85.4Confident83.9Confident76 Ų7651.5 Ų51.541%0.40628%0.275SS..Hα-helixtrans-73.6-23.9-173.9-70-11.3000112.3M74 K96M74-D100 HydrophobicContact CE-CB 4.01Å; M74-D100 HydrophobicContact SD-CB 3.87Å; K96-D100 IonicContact NZ-OD2 2.84Å; K96-D100 PolarHBondContact NZ-OD2 3.24Å; K96-D100 WeakPolarHBondContact O-CB 3.38Å; K96-D100 PolarHBondContact O-N 3.34Å
101C83.6Confident83.2Confident3 Ų354.6 Ų54.62%0.0230%0.296CS..THydrogen-bonded Turntrans-99.98176.3-69.10000114.8Q71 I97 Q99 L103Q71-C101 WeakPolarHBondContact O-CB 3.48Å; I97-C101 WeakPolarHBondContact O-CB 3.47Å; I97-C101 PolarHBondContact O-N 3.16Å; Q99-C101 VanDerWaalsContact C-N 3.31Å; Q99-C101 PolarHBondContact O-N 3.49Å; C101-L103 VanDerWaalsContact C-N 3.27Å; C101-L103 HydrophobicContact CB-CD1 4.01Å; C101-L103 HydrophobicContact CB-CG 4.05Å; C101-L103 PolarHBondContact O-N 3.1Å
102D79.5Confident82.6Confident119 Ų11952.2 Ų52.264%0.63629%0.29SS*.THydrogen-bonded Turntrans58.133.8-179.7-155.924.3000113.9C98 Q99 V104C98-D102 PolarHBondContact O-N 2.87Å; Q99-D102 PolarHBondContact O-N 2.92Å; D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 3.38Å
103L79.9Confident82.4Confident26 Ų2650.3 Ų50.314%0.13628%0.28CS..  trans-94.953.8178.1-57.9170.6000110.7L70 C98 C101 A105 L106 M113L70-L103 HydrophobicContact CD2-CD1 4.05Å; C98-L103 HydrophobicContact CB-CB 4.36Å; C98-L103 PolarHBondContact O-N 3.3Å; C101-L103 VanDerWaalsContact C-N 3.27Å; C101-L103 HydrophobicContact CB-CD1 4.01Å; C101-L103 HydrophobicContact CB-CG 4.05Å; C101-L103 PolarHBondContact O-N 3.1Å; L103-A105 PolarHBondContact O-N 3.42Å; L103-A105 VanDerWaalsContact O-N 3.17Å; L103-L106 HydrophobicContact CB-CD1 4.14Å; L103-L106 HydrophobicContact CD1-CD1 4.33Å; L103-L106 PolarHBondContact O-N 3.3Å; L103-M113 HydrophobicContact CD1-CE 3.69Å
104V74.1Confident82.3Confident90 Ų9051.2 Ų51.255%0.54528%0.284SS..G310 helixtrans-57.8-34.6-171.3-178.20000112.9D102 L106 L107D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 3.38Å; V104-L106 PolarHBondContact O-N 3.23Å; V104-L107 HydrophobicContact CG1-CD1 4.3Å; V104-L107 WeakPolarHBondContact O-CB 3.36Å; V104-L107 PolarHBondContact O-N 3.27Å; V104-L107 VanDerWaalsContact O-N 3.17Å
105A72.5Confident82.4Confident90 Ų9051.3 Ų51.374%0.74429%0.285SS*.G310 helixtrans-63.3-20.9178.700000113.9L103L103-A105 PolarHBondContact O-N 3.42Å; L103-A105 VanDerWaalsContact O-N 3.17Å
106L76.8Confident82.5Confident17 Ų1749.9 Ų49.99%0.08928%0.277CS..G310 helixtrans-96.1-2.6-179.5-61.4173.6000112.9K94 L103 V104 M113 M151K94-L106 WeakPolarHBondContact CE-O 3.2Å; K94-L106 PolarHBondContact NZ-O 3.2Å; L103-L106 HydrophobicContact CB-CD1 4.14Å; L103-L106 HydrophobicContact CD1-CD1 4.33Å; L103-L106 PolarHBondContact O-N 3.3Å; V104-L106 PolarHBondContact O-N 3.23Å; L106-M113 HydrophobicContact CD1-CE 3.82Å; L106-M151 HydrophobicContact CD1-CE 3.9Å; L106-M151 HydrophobicContact CD1-SD 3.36Å; L106-M151 WeakPolarHBondContact CD1-SD 3.25Å; L106-M151 HydrophobicContact CD2-CE 3.95Å; L106-M151 HydrophobicContact CD2-SD 4.39Å
107L74.9Confident82.6Confident49 Ų4948.7 Ų48.726%0.25727%0.272SS..THydrogen-bonded Turntrans-66.9-39.1176.1-79.9165.3000112N95 C98 Q99 V104N95-L107 HydrophobicContact CB-CD2 4.12Å; C98-L107 HydrophobicContact CB-CD2 3.71Å; C98-L107 HydrophobicContact CB-CG 3.8Å; Q99-L107 HydrophobicContact CG-CD1 4.18Å; Q99-L107 HydrophobicContact CG-CD2 3.98Å; V104-L107 HydrophobicContact CG1-CD1 4.3Å; V104-L107 WeakPolarHBondContact O-CB 3.36Å; V104-L107 PolarHBondContact O-N 3.27Å; V104-L107 VanDerWaalsContact O-N 3.17Å
108E74.1Confident82.6Confident189 Ų18951.2 Ų51.288%0.88329%0.286SS*.SBendtrans-93.5-9.5-179.6-60.7-173.8171.900112.9
109D82.1Confident82.6Confident63 Ų6357.2 Ų57.234%0.33732%0.317SS..  trans-108.897.7179.5179.911.6000111.7K94 S111 G112K94-D109 VanDerWaalsContact NZ-C 3.27Å; K94-D109 PolarHBondContact NZ-O 3.43Å; D109-S111 PolarHBondContact O-N 2.99Å; D109-S111 WeakPolarHBondContact OD1-CA 3.4Å; D109-S111 WeakPolarHBondContact OD1-CB 3.43Å; D109-S111 PolarHBondContact OD1-N 2.92Å; D109-S111 PolarHBondContact OD1-OG 3.23Å; D109-G112 PolarHBondContact O-N 2.91Å; D109-G112 PolarHBondContact OD1-N 3.11Å; D109-G112 PolarHBondContact OD2-N 3.28Å
110D79.1Confident82.7Confident70 Ų7054.5 Ų54.537%0.37430%0.304SS..THydrogen-bonded Turntrans-76-8.3177.5-61.6-46.7000114.9R91 K94 L124R91-D110 IonicContact CZ-OD2 3.6Å; R91-D110 IonicContact NH1-OD1 2.72Å; R91-D110 PolarHBondContact NH1-OD1 3.32Å; R91-D110 IonicContact NH1-OD2 3.76Å; R91-D110 PolarHBondContact NH1-OD2 3.08Å; K94-D110 VanDerWaalsContact NZ-CA 3.31Å; K94-D110 IonicContact NZ-OD1 3.18Å; K94-D110 PolarHBondContact NZ-OD1 3.32Å; D110-L124 HydrophobicContact CB-CD1 4.05Å
111S76.9Confident82.9Confident64 Ų6451.2 Ų51.245%0.44829%0.286SS..THydrogen-bonded Turntrans-92.4-15.5174.974.40000112.9D109 R152D109-S111 PolarHBondContact O-N 2.99Å; D109-S111 WeakPolarHBondContact OD1-CA 3.4Å; D109-S111 WeakPolarHBondContact OD1-CB 3.43Å; D109-S111 PolarHBondContact OD1-N 2.92Å; D109-S111 PolarHBondContact OD1-OG 3.23Å; S111-R152 VanDerWaalsContact O-CB 3.23Å; S111-R152 WeakPolarHBondContact O-CB 3.29Å; S111-R152 WeakPolarHBondContact O-CD 3.27Å
112G79.8Confident83.4Confident9 Ų951.2 Ų51.29%0.09329%0.286CS..SBendtrans-79.8-21.5-172.800000115.6D109 M151 R152D109-G112 PolarHBondContact O-N 2.91Å; D109-G112 PolarHBondContact OD1-N 3.11Å; D109-G112 PolarHBondContact OD2-N 3.28Å; G112-M151 WeakPolarHBondContact O-CA 3.34Å; G112-R152 PolarHBondContact O-N 3.32Å; G112-R152 VanDerWaalsContact O-N 3.08Å
113M86.3Confident83.8Confident4 Ų446.3 Ų46.32%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-132.1133.5-177.6-174.8179.8-66.700111.9K94 I97 L103 L106 Y149 R150K94-M113 HydrophobicContact CG-CB 4.37Å; K94-M113 HydrophobicContact CG-CG 4.48Å; K94-M113 HydrophobicContact CG-SD 3.99Å; I97-M113 HydrophobicContact CG2-CE 4.2Å; I97-M113 HydrophobicContact CG2-SD 4.06Å; L103-M113 HydrophobicContact CD1-CE 3.69Å; L106-M113 HydrophobicContact CD1-CE 3.82Å; M113-Y149 HydrophobicContact SD-CD2 4.37Å; M113-R150 WeakPolarHBondContact CA-O 3.44Å; M113-R150 WeakPolarHBondContact CG-O 3.22Å
114E90.8Very high84.3Confident20 Ų2045.9 Ų45.99%0.09326%0.259CS..EExtended strand (participates in β ladder)trans-105.7141.4176.2-67.9175.5167.600110.5L116 I121 Y149 R150 R152E114-L116 HydrophobicContact CB-CD1 4.13Å; E114-I121 HydrophobicContact CB-CG2 4.16Å; E114-I121 HydrophobicContact CG-CG2 4.21Å; E114-Y149 WeakPolarHBondContact O-CA 3.3Å; E114-R150 HydrophobicContact CB-CG 4.22Å; E114-R150 PolarHBondContact N-O 2.89Å; E114-R150 PolarHBondContact O-N 3.12Å; E114-R150 VanDerWaalsContact O-N 3.08Å; E114-R150 IonicContact OE2-CZ 3.25Å; E114-R150 IonicContact OE2-NE 2.71Å; E114-R150 PolarHBondContact OE2-NE 3.06Å; E114-R150 IonicContact OE2-NH2 3.26Å; E114-R150 PolarHBondContact OE2-NH2 3.19Å; E114-R152 HydrophobicContact CG-CB 4.12Å; E114-R152 HydrophobicContact CG-CG 4.33Å; E114-R152 WeakPolarHBondContact OE1-CG 3.42Å; E114-R152 IonicContact OE1-NE 2.65Å
115L93Very high85Confident1 Ų146.1 Ų46.11%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-111.5126.2171.6-60-175.1000109.5M90 I93 K94 I97 I122 L124 I147M90-L115 HydrophobicContact CB-CD1 4.45Å; M90-L115 HydrophobicContact CE-CB 4.21Å; M90-L115 HydrophobicContact CE-CD1 4.03Å; M90-L115 VanDerWaalsContact O-CD1 3.28Å; M90-L115 WeakPolarHBondContact O-CD1 3.47Å; I93-L115 HydrophobicContact CB-CD1 4.31Å; I93-L115 HydrophobicContact CG2-CD1 4.21Å; K94-L115 HydrophobicContact CB-CD1 4.1Å; I97-L115 HydrophobicContact CD1-CD2 3.88Å; L115-I122 PolarHBondContact O-N 2.78Å; L115-L124 HydrophobicContact CD1-CD2 3.83Å; L115-L124 HydrophobicContact CG-CD2 4.05Å; L115-I147 HydrophobicContact CB-CG2 3.93Å; L115-I147 HydrophobicContact CD2-CG2 4.17Å; L115-I147 HydrophobicContact CG-CG2 4.43Å
116L92.3Very high85.8Confident8 Ų842.6 Ų42.64%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-112.4130.1-178.4-68.982.5000110.7E114 K120 I121 I147 V148 R150 E160E114-L116 HydrophobicContact CB-CD1 4.13Å; L116-K120 CarbonylContact C-O 3.35Å; L116-K120 WeakPolarHBondContact CA-O 3.19Å; L116-I121 HydrophobicContact CD1-CG1 4.29Å; L116-I121 HydrophobicContact CD2-CG1 4.16Å; L116-I121 HydrophobicContact CG-CG1 3.87Å; L116-I147 CarbonylContact O-C 3.55Å; L116-I147 WeakPolarHBondContact O-CA 3.3Å; L116-V148 HydrophobicContact CB-CB 4.29Å; L116-V148 PolarHBondContact N-O 3.26Å; L116-V148 PolarHBondContact O-N 3.47Å; L116-R150 HydrophobicContact CD1-CG 4.01Å; L116-E160 HydrophobicContact CD2-CG 4.21Å
117V91.9Very high86.4Confident0 Ų044.4 Ų44.40%024%0.238CC..EExtended strand (participates in β ladder)trans-123.4125.8171.7-177.20000107.6M90 N119 K120 I122 V131 V135 W136 M145 I147M90-V117 HydrophobicContact CE-CG2 4.07Å; V117-N119 VanDerWaalsContact C-N 3.28Å; V117-N119 PolarHBondContact O-N 3.28Å; V117-K120 PolarHBondContact N-O 3.18Å; V117-K120 WeakPolarHBondContact O-CB 3.41Å; V117-K120 PolarHBondContact O-N 3Å; V117-I122 HydrophobicContact CB-CD1 4.21Å; V117-I122 HydrophobicContact CB-CG1 3.8Å; V117-I122 HydrophobicContact CG2-CG1 3.74Å; V117-V131 HydrophobicContact CB-CG1 4.43Å; V117-V131 HydrophobicContact CG1-CG1 4.42Å; V117-V131 HydrophobicContact CG2-CG1 4.13Å; V117-V135 HydrophobicContact CB-CG1 4.48Å; V117-V135 HydrophobicContact CG1-CG1 4.22Å; V117-W136 HydrophobicContact CG1-CB 4.38Å; V117-W136 HydrophobicContact CG1-CE3 3.86Å; V117-M145 HydrophobicContact CG1-CG 4.11Å; V117-M145 HydrophobicContact CG1-SD 4.17Å; V117-I147 HydrophobicContact CG2-CG1 3.96Å; V117-I147 HydrophobicContact CG2-CG2 4.39Å
118N87.9Confident87Confident54 Ų5442.1 Ų42.129%0.28923%0.227SC..THydrogen-bonded Turntrans52.141.4-175.7-83.9-18.9000114.1K120 V135 W136 T139 N140N118-K120 PolarHBondContact O-N 2.83Å; N118-V135 PolarHBondContact ND2-O 3.31Å; N118-W136 VanDerWaalsContact OD1-CZ3 3.22Å; N118-W136 WeakPolarHBondContact OD1-CZ3 3.37Å; N118-T139 PolarHBondContact ND2-OG1 3.29Å; N118-N140 PolarHBondContact ND2-ND2 3.47Å; N118-N140 PolarHBondContact OD1-ND2 3.2Å
119N87Confident87.6Confident125 Ų12535.2 Ų35.267%0.66820%0.202SC*.THydrogen-bonded Turntrans59.322.1-176-59-19.2000114.6V117V117-N119 VanDerWaalsContact C-N 3.28Å; V117-N119 PolarHBondContact O-N 3.28Å
120K89.3Confident87.7Confident67 Ų6735 Ų3529%0.29120%0.198SC..EExtended strand (participates in β ladder)trans-114.5134.9171.9-55.2-170.1-179.1-151.30109.1L116 V117 N118 I122 E161 I163L116-K120 CarbonylContact C-O 3.35Å; L116-K120 WeakPolarHBondContact CA-O 3.19Å; V117-K120 PolarHBondContact N-O 3.18Å; V117-K120 WeakPolarHBondContact O-CB 3.41Å; V117-K120 PolarHBondContact O-N 3Å; N118-K120 PolarHBondContact O-N 2.83Å; K120-I122 HydrophobicContact CB-CD1 4.26Å; K120-E161 CarbonylContact C-O 3.54Å; K120-E161 WeakPolarHBondContact CA-O 3.28Å; K120-E161 WeakPolarHBondContact CE-OE2 3.32Å; K120-E161 HydrophobicContact CG-CB 4.4Å; K120-E161 IonicContact NZ-OE1 3.36Å; K120-E161 IonicContact NZ-OE2 3.16Å; K120-E161 PolarHBondContact NZ-OE2 3.39Å; K120-I163 HydrophobicContact CB-CD1 4.12Å; K120-I163 HydrophobicContact CB-CG1 4.33Å; K120-I163 HydrophobicContact CD-CD1 3.61Å; K120-I163 HydrophobicContact CD-CG1 4.24Å
121I89.9Confident88.1Confident7 Ų731.6 Ų31.64%0.03618%0.181CC..EExtended strand (participates in β ladder)trans-77.7126.7177.1-58165.8000107.2E114 L116 A158 E160 E161 F162 I163E114-I121 HydrophobicContact CB-CG2 4.16Å; E114-I121 HydrophobicContact CG-CG2 4.21Å; L116-I121 HydrophobicContact CD1-CG1 4.29Å; L116-I121 HydrophobicContact CD2-CG1 4.16Å; L116-I121 HydrophobicContact CG-CG1 3.87Å; I121-A158 HydrophobicContact CD1-CB 3.66Å; I121-E160 HydrophobicContact CD1-CB 4.03Å; I121-E160 HydrophobicContact CG1-CB 4.01Å; I121-E161 PolarHBondContact N-O 3.19Å; I121-F162 HydrophobicContact CB-CD2 3.7Å; I121-F162 HydrophobicContact CB-CE2 4.42Å; I121-F162 HydrophobicContact CG2-CD2 3.43Å; I121-F162 VanDerWaalsContact CG2-CD2 3.43Å; I121-F162 HydrophobicContact CG2-CE2 3.68Å; I121-F162 CarbonylContact O-C 3.56Å; I121-F162 WeakPolarHBondContact O-CA 3.41Å; I121-F162 WeakPolarHBondContact O-CD2 3.43Å; I121-I163 PolarHBondContact O-N 3.4Å
122I92.3Very high88.6Confident3 Ų329.8 Ų29.82%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-104.7132.6-174.9-52-55.6000109.6M90 L115 V117 K120 L126 V131 V135 I163M90-I122 HydrophobicContact CE-CB 4.15Å; M90-I122 HydrophobicContact CE-CG2 4.09Å; M90-I122 HydrophobicContact CG-CG2 3.91Å; L115-I122 PolarHBondContact O-N 2.78Å; V117-I122 HydrophobicContact CB-CD1 4.21Å; V117-I122 HydrophobicContact CB-CG1 3.8Å; V117-I122 HydrophobicContact CG2-CG1 3.74Å; K120-I122 HydrophobicContact CB-CD1 4.26Å; I122-L126 HydrophobicContact CG2-CB 4.37Å; I122-L126 HydrophobicContact CG2-CD1 3.84Å; I122-V131 HydrophobicContact CG1-CG1 4.3Å; I122-V131 HydrophobicContact CG2-CG1 4.12Å; I122-V131 HydrophobicContact CG2-CG2 3.68Å; I122-V135 HydrophobicContact CD1-CG1 4.22Å; I122-I163 HydrophobicContact CD1-CB 4.11Å; I122-I163 HydrophobicContact CD1-CD1 3.85Å; I122-I163 HydrophobicContact CD1-CG1 4.22Å
123S89.7Confident88.7Confident17 Ų1732.9 Ų32.912%0.11918%0.175CC..  trans-60136.7172.2175.50000111.4D125 L126 I163S123-D125 PolarHBondContact O-N 3.13Å; S123-D125 PolarHBondContact OG-N 3.23Å; S123-L126 PolarHBondContact O-N 3Å; S123-I163 VanDerWaalsContact CB-O 3.31Å; S123-I163 WeakPolarHBondContact CB-O 3.49Å; S123-I163 PolarHBondContact N-O 2.97Å
124L88.8Confident88.5Confident16 Ų1636.8 Ų36.88%0.08419%0.192CC..THydrogen-bonded Turntrans-65.5-20.5-179.1-63.5176.4000112.7M90 R91 K94 D110 L115 L126M90-L124 PolarHBondContact N-O 3.26Å; R91-L124 HydrophobicContact CB-CB 4.04Å; R91-L124 WeakPolarHBondContact CB-O 3.38Å; R91-L124 PolarHBondContact N-O 3.38Å; K94-L124 HydrophobicContact CB-CD2 3.97Å; K94-L124 HydrophobicContact CD-CD1 3.74Å; K94-L124 HydrophobicContact CD-CD2 4.31Å; K94-L124 HydrophobicContact CG-CD2 4.47Å; D110-L124 HydrophobicContact CB-CD1 4.05Å; L115-L124 HydrophobicContact CD1-CD2 3.83Å; L115-L124 HydrophobicContact CG-CD2 4.05Å; L124-L126 VanDerWaalsContact C-N 3.32Å
125D88.9Confident88.2Confident95 Ų9536.4 Ų36.451%0.50819%0.191SC..THydrogen-bonded Turntrans-84.9-2.7-179.7-63.6-46.9000113.8L89 R91 S123L89-D125 WeakPolarHBondContact CD2-O 3.42Å; R91-D125 IonicContact CZ-OD1 3.13Å; R91-D125 IonicContact NE-OD1 3.06Å; R91-D125 PolarHBondContact NE-OD1 3.11Å; R91-D125 IonicContact NH2-OD1 2.82Å; R91-D125 PolarHBondContact NH2-OD1 3.36Å; R91-D125 IonicContact NH2-OD2 3.27Å; R91-D125 PolarHBondContact NH2-OD2 2.83Å; S123-D125 PolarHBondContact O-N 3.13Å; S123-D125 PolarHBondContact OG-N 3.23Å
126L89.3Confident87.9Confident17 Ų1737 Ų379%0.08919%0.193CC..SBendtrans-80.5141178.1-67.5173.3000111.7M90 I122 S123 L124 V128 V131 I163 L166M90-L126 WeakPolarHBondContact CG-O 3.44Å; M90-L126 PolarHBondContact N-O 3.45Å; I122-L126 HydrophobicContact CG2-CB 4.37Å; I122-L126 HydrophobicContact CG2-CD1 3.84Å; S123-L126 PolarHBondContact O-N 3Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L126-V128 PolarHBondContact O-N 3.11Å; L126-V131 HydrophobicContact CB-CG2 3.81Å; L126-V131 HydrophobicContact CD1-CG2 4.45Å; L126-I163 HydrophobicContact CD1-CG2 3.92Å; L126-I163 WeakPolarHBondContact CD1-O 3.06Å; L126-L166 HydrophobicContact CD1-CD1 4.44Å; L126-L166 HydrophobicContact CD1-CG 4.08Å; L126-L166 HydrophobicContact CD2-CD1 4.32Å; L126-L166 HydrophobicContact CD2-CG 4.11Å
127P89.4Confident87.4Confident54 Ų5438.2 Ų38.235%0.35120%0.202SC..BIsolated β-bridgetrans-64131.3172.9-20.632.1000111.8P88 L89 A129 E130 V131P88-P127 CarbonylContact O-C 3.5Å; P88-P127 WeakPolarHBondContact O-CA 3.34Å; L89-P127 HydrophobicContact CD2-CG 4.4Å; P127-A129 PolarHBondContact O-N 3.21Å; P127-E130 HydrophobicContact CB-CB 4.16Å; P127-E130 HydrophobicContact CB-CG 4.12Å; P127-E130 HydrophobicContact CG-CB 4.5Å; P127-E130 HydrophobicContact CG-CG 4.29Å; P127-E130 PolarHBondContact O-N 2.96Å; P127-E130 VanDerWaalsContact O-N 3.12Å; P127-V131 WeakPolarHBondContact O-CG2 3.06Å; P127-V131 PolarHBondContact O-N 2.99Å
128V88.9Confident86.7Confident2 Ų243 Ų431%0.01223%0.231CC..Hα-helixtrans-59.1-38.2-178.8-174.30000111.2F56 P88 L89 M90 I93 L126 V131 Y132 M145F56-V128 HydrophobicContact CE2-CG1 3.72Å; F56-V128 HydrophobicContact CZ-CB 4.29Å; F56-V128 HydrophobicContact CZ-CG1 3.73Å; P88-V128 PolarHBondContact O-N 3.24Å; L89-V128 WeakPolarHBondContact O-CG2 3.45Å; M90-V128 HydrophobicContact CG-CG2 4.42Å; M90-V128 HydrophobicContact SD-CB 4.37Å; M90-V128 HydrophobicContact SD-CG1 4.29Å; M90-V128 HydrophobicContact SD-CG2 3.98Å; I93-V128 HydrophobicContact CD1-CB 4.39Å; I93-V128 HydrophobicContact CD1-CG1 3.68Å; I93-V128 HydrophobicContact CD1-CG2 3.67Å; I93-V128 HydrophobicContact CG1-CG2 4.25Å; L126-V128 PolarHBondContact O-N 3.11Å; V128-V131 PolarHBondContact O-N 3.27Å; V128-Y132 WeakPolarHBondContact O-CB 3.32Å; V128-Y132 PolarHBondContact O-N 2.68Å; V128-M145 HydrophobicContact CG1-CE 3.67Å
129A86.3Confident86.2Confident44 Ų4445 Ų4536%0.36425%0.245SC..Hα-helixtrans-63.3-40.7177.900000112.8F56 P127 Y132 K133F56-A129 HydrophobicContact CE1-CB 3.99Å; F56-A129 HydrophobicContact CZ-CB 4.36Å; P127-A129 PolarHBondContact O-N 3.21Å; A129-Y132 PolarHBondContact O-N 2.7Å; A129-K133 WeakPolarHBondContact O-CB 3.34Å; A129-K133 PolarHBondContact O-N 3.38Å
130E84.8Confident85.6Confident57 Ų5741 Ų4127%0.26622%0.224SC..Hα-helixtrans-71.1-38.6177.6-73.1-65.1115.900111.2P127 Y132 K133 K134 L166P127-E130 HydrophobicContact CB-CB 4.16Å; P127-E130 HydrophobicContact CB-CG 4.12Å; P127-E130 HydrophobicContact CG-CB 4.5Å; P127-E130 HydrophobicContact CG-CG 4.29Å; P127-E130 PolarHBondContact O-N 2.96Å; P127-E130 VanDerWaalsContact O-N 3.12Å; E130-Y132 VanDerWaalsContact C-N 3.34Å; E130-K133 PolarHBondContact O-N 3.41Å; E130-K134 WeakPolarHBondContact O-CB 3.18Å; E130-K134 PolarHBondContact O-N 3.16Å; E130-K134 WeakPolarHBondContact OE2-CE 3.16Å; E130-K134 IonicContact OE2-NZ 3.04Å; E130-K134 PolarHBondContact OE2-NZ 3.09Å; E130-L166 HydrophobicContact CB-CD1 3.49Å; E130-L166 VanDerWaalsContact CB-CD1 3.49Å
131V87.3Confident84.9Confident0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-62.5-42.5173.6176.60000110.5M90 V117 I122 L126 P127 V128 V135 W136 M145 L166M90-V131 HydrophobicContact CG-CG2 4.03Å; M90-V131 HydrophobicContact SD-CB 4.31Å; M90-V131 HydrophobicContact SD-CG1 4.27Å; M90-V131 HydrophobicContact SD-CG2 4.21Å; V117-V131 HydrophobicContact CB-CG1 4.43Å; V117-V131 HydrophobicContact CG1-CG1 4.42Å; V117-V131 HydrophobicContact CG2-CG1 4.13Å; I122-V131 HydrophobicContact CG1-CG1 4.3Å; I122-V131 HydrophobicContact CG2-CG1 4.12Å; I122-V131 HydrophobicContact CG2-CG2 3.68Å; L126-V131 HydrophobicContact CB-CG2 3.81Å; L126-V131 HydrophobicContact CD1-CG2 4.45Å; P127-V131 WeakPolarHBondContact O-CG2 3.06Å; P127-V131 PolarHBondContact O-N 2.99Å; V128-V131 PolarHBondContact O-N 3.27Å; V131-V135 HydrophobicContact CG1-CB 4.22Å; V131-V135 HydrophobicContact CG1-CG2 4.25Å; V131-V135 WeakPolarHBondContact O-CA 3.44Å; V131-V135 WeakPolarHBondContact O-CB 3.35Å; V131-V135 PolarHBondContact O-N 3.32Å; V131-W136 PolarHBondContact O-N 2.99Å; V131-M145 HydrophobicContact CG1-SD 4.2Å; V131-L166 HydrophobicContact CG2-CD1 3.99Å
132Y86.8Confident84.1Confident26 Ų2649 Ų4910%0.10228%0.282CS..Iπ-helixtrans-59-53.9174.3-179.1-110.3000111.6V53 F56 V128 A129 E130 W136 C137 M145V53-Y132 HydrophobicContact CG1-CD1 4.45Å; V53-Y132 HydrophobicContact CG1-CE1 4.39Å; F56-Y132 HydrophobicContact CB-CD1 3.72Å; F56-Y132 HydrophobicContact CB-CD2 4.2Å; F56-Y132 HydrophobicContact CB-CE1 3.39Å; F56-Y132 HydrophobicContact CB-CE2 3.9Å; F56-Y132 HydrophobicContact CB-CG 4.11Å; F56-Y132 VanDerWaalsContact CB-CZ 3.49Å; F56-Y132 AromaticContact CD1-CD1 3.81Å; F56-Y132 HydrophobicContact CD1-CD1 3.81Å; F56-Y132 HydrophobicContact CD1-CE1 4.3Å; F56-Y132 HydrophobicContact CD1-CG 4.15Å; F56-Y132 HydrophobicContact CD2-CD1 4.07Å; F56-Y132 AromaticContact CD2-CD2 3.76Å; F56-Y132 HydrophobicContact CD2-CD2 3.76Å; F56-Y132 HydrophobicContact CD2-CE2 4.21Å; F56-Y132 AromaticContact CD2-CG 3.66Å; F56-Y132 HydrophobicContact CD2-CG 3.66Å; F56-Y132 HydrophobicContact CE1-CD1 4.47Å; F56-Y132 HydrophobicContact CE2-CD2 4.41Å; F56-Y132 HydrophobicContact CE2-CG 4.11Å; F56-Y132 AromaticContact CG-CD1 3.59Å; F56-Y132 HydrophobicContact CG-CD1 3.59Å; F56-Y132 HydrophobicContact CG-CD2 4.06Å; F56-Y132 AromaticContact CG-CE1 3.85Å; F56-Y132 HydrophobicContact CG-CE1 3.85Å; F56-Y132 HydrophobicContact CG-CE2 4.27Å; F56-Y132 AromaticContact CG-CG 3.7Å; F56-Y132 HydrophobicContact CG-CG 3.7Å; V128-Y132 WeakPolarHBondContact O-CB 3.32Å; V128-Y132 PolarHBondContact O-N 2.68Å; A129-Y132 PolarHBondContact O-N 2.7Å; E130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-W136 HydrophobicContact CD2-CB 4.19Å; Y132-W136 AromaticContact CD2-CD1 3.72Å; Y132-W136 HydrophobicContact CD2-CG 4.21Å; Y132-W136 AromaticContact CE2-CD1 3.45Å; Y132-W136 VanDerWaalsContact CE2-CD1 3.45Å; Y132-W136 HydrophobicContact CE2-CG 4.35Å; Y132-W136 WeakPolarHBondContact O-CB 3.31Å; Y132-W136 PolarHBondContact O-N 3.41Å; Y132-C137 WeakPolarHBondContact CE1-SG 3.43Å; Y132-C137 VanDerWaalsContact CZ-SG 3.59Å; Y132-C137 PolarHBondContact O-N 2.79Å; Y132-C137 PolarHBondContact O-SG 3.42Å; Y132-C137 VanDerWaalsContact O-SG 3.37Å; Y132-M145 HydrophobicContact CD2-CB 3.82Å; Y132-M145 HydrophobicContact CD2-CG 4.32Å; Y132-M145 HydrophobicContact CD2-SD 4.04Å; Y132-M145 HydrophobicContact CE2-CB 4.19Å
133K81.9Confident83.7Confident74 Ų7454.3 Ų54.332%0.32231%0.306SS..Iπ-helixtrans-64.4-46.1-176.9-172.9179173.5-172.30112.6E50 V53 A129 E130E50-K133 IonicContact OE2-NZ 3.77Å; E50-K133 PolarHBondContact OE2-NZ 3.4Å; V53-K133 HydrophobicContact CG2-CD 4.46Å; A129-K133 WeakPolarHBondContact O-CB 3.34Å; A129-K133 PolarHBondContact O-N 3.38Å; E130-K133 PolarHBondContact O-N 3.41Å
134K82.3Confident83.6Confident85 Ų8556.1 Ų56.137%0.3732%0.318SS..Iπ-helixtrans-95.6-27.3-169.8-67.4177171.8160.30114.5E130 T138 L166E130-K134 WeakPolarHBondContact O-CB 3.18Å; E130-K134 PolarHBondContact O-N 3.16Å; E130-K134 WeakPolarHBondContact OE2-CE 3.16Å; E130-K134 IonicContact OE2-NZ 3.04Å; E130-K134 PolarHBondContact OE2-NZ 3.09Å; K134-T138 WeakPolarHBondContact O-CG2 3.12Å; K134-L166 HydrophobicContact CB-CD2 4.31Å; K134-L166 HydrophobicContact CD-CB 3.96Å
135V84.1Confident83.7Confident12 Ų1255.4 Ų55.47%0.07331%0.314CS..Iπ-helixtrans-105.9-38.4-176.7-171.30000112.1V117 N118 I122 V131 T138 I163 L166V117-V135 HydrophobicContact CB-CG1 4.48Å; V117-V135 HydrophobicContact CG1-CG1 4.22Å; N118-V135 PolarHBondContact ND2-O 3.31Å; I122-V135 HydrophobicContact CD1-CG1 4.22Å; V131-V135 HydrophobicContact CG1-CB 4.22Å; V131-V135 HydrophobicContact CG1-CG2 4.25Å; V131-V135 WeakPolarHBondContact O-CA 3.44Å; V131-V135 WeakPolarHBondContact O-CB 3.35Å; V131-V135 PolarHBondContact O-N 3.32Å; V135-T138 PolarHBondContact O-OG1 3.48Å; V135-I163 HydrophobicContact CG1-CD1 4.15Å; V135-I163 HydrophobicContact CG2-CD1 3.96Å; V135-L166 HydrophobicContact CG2-CD2 3.52Å
136W86.9Confident83.8Confident14 Ų1455.8 Ų55.85%0.05331%0.308CS..Iπ-helixtrans-92.2-51.8-175.6-176-100.6000113.7V117 N118 V131 Y132 T138 T139 N140 E143 P144 M145 R146V117-W136 HydrophobicContact CG1-CB 4.38Å; V117-W136 HydrophobicContact CG1-CE3 3.86Å; N118-W136 VanDerWaalsContact OD1-CZ3 3.22Å; N118-W136 WeakPolarHBondContact OD1-CZ3 3.37Å; V131-W136 PolarHBondContact O-N 2.99Å; Y132-W136 HydrophobicContact CD2-CB 4.19Å; Y132-W136 AromaticContact CD2-CD1 3.72Å; Y132-W136 HydrophobicContact CD2-CG 4.21Å; Y132-W136 AromaticContact CE2-CD1 3.45Å; Y132-W136 VanDerWaalsContact CE2-CD1 3.45Å; Y132-W136 HydrophobicContact CE2-CG 4.35Å; Y132-W136 WeakPolarHBondContact O-CB 3.31Å; Y132-W136 PolarHBondContact O-N 3.41Å; W136-T138 PolarHBondContact O-N 3.1Å; W136-T138 VanDerWaalsContact O-N 3.14Å; W136-T139 PolarHBondContact O-N 2.78Å; W136-T139 VanDerWaalsContact O-N 3.17Å; W136-N140 HydrophobicContact CD2-CB 4.12Å; W136-N140 HydrophobicContact CH2-CB 4.29Å; W136-N140 HydrophobicContact CZ2-CB 3.65Å; W136-N140 PolarHBondContact NE1-O 2.89Å; W136-N140 PolarHBondContact O-N 3.09Å; W136-E143 HydrophobicContact CZ2-CB 4.37Å; W136-E143 PolarHBondContact NE1-O 2.89Å; W136-P144 WeakPolarHBondContact CZ2-O 3.24Å; W136-M145 HydrophobicContact CB-CG 3.95Å; W136-M145 HydrophobicContact CB-SD 4.03Å; W136-M145 HydrophobicContact CD2-CB 4.19Å; W136-M145 HydrophobicContact CD2-CG 3.87Å; W136-M145 HydrophobicContact CE3-CG 4.16Å; W136-M145 HydrophobicContact CG-CB 4.05Å; W136-M145 HydrophobicContact CG-CG 3.76Å; W136-M145 HydrophobicContact CG-SD 4.45Å; W136-R146 HydrophobicContact CH2-CB 3.5Å; W136-R146 HydrophobicContact CZ2-CB 4.31Å; W136-R146 HydrophobicContact CZ3-CB 3.84Å
137C82Confident84.1Confident34 Ų3455 Ų5523%0.2330%0.304CS..THydrogen-bonded Turntrans-64.8-17.7-177-69.60000113.8Y132 T139Y132-C137 WeakPolarHBondContact CE1-SG 3.43Å; Y132-C137 VanDerWaalsContact CZ-SG 3.59Å; Y132-C137 PolarHBondContact O-N 2.79Å; Y132-C137 PolarHBondContact O-SG 3.42Å; Y132-C137 VanDerWaalsContact O-SG 3.37Å; C137-T139 PolarHBondContact O-N 3.33Å
138T77.8Confident84.2Confident99 Ų9953.2 Ų53.261%0.60729%0.292SS*.THydrogen-bonded Turntrans-62.6-24.3175.250.80000113K134 V135 W136K134-T138 WeakPolarHBondContact O-CG2 3.12Å; V135-T138 PolarHBondContact O-OG1 3.48Å; W136-T138 PolarHBondContact O-N 3.1Å; W136-T138 VanDerWaalsContact O-N 3.14Å
139T75.9Confident84.3Confident96 Ų9653.2 Ų53.259%0.58929%0.292SS*.THydrogen-bonded Turntrans-127.1-24.6-179.456.30000114.3N118 W136 C137N118-T139 PolarHBondContact ND2-OG1 3.29Å; W136-T139 PolarHBondContact O-N 2.78Å; W136-T139 VanDerWaalsContact O-N 3.17Å; C137-T139 PolarHBondContact O-N 3.33Å
140N76.1Confident84.5Confident42 Ų4252.1 Ų52.123%0.22528%0.278CS..  trans-133.450.2-169.1-51.8-57.8000112.3N118 W136 G142 E143N118-N140 PolarHBondContact ND2-ND2 3.47Å; N118-N140 PolarHBondContact OD1-ND2 3.2Å; W136-N140 HydrophobicContact CD2-CB 4.12Å; W136-N140 HydrophobicContact CH2-CB 4.29Å; W136-N140 HydrophobicContact CZ2-CB 3.65Å; W136-N140 PolarHBondContact NE1-O 2.89Å; W136-N140 PolarHBondContact O-N 3.09Å; N140-G142 PolarHBondContact O-N 2.77Å; N140-E143 HydrophobicContact CB-CB 4.49Å; N140-E143 PolarHBondContact O-N 3.01Å
141E74.4Confident84.3Confident171 Ų17151.6 Ų51.680%0.79928%0.276SS*.THydrogen-bonded Turntrans-59.2127.6-179.8-164.5177.3-167.800111.8
142G71.7Confident84.1Confident72 Ų7258.9 Ų58.974%0.74230%0.304SS*.THydrogen-bonded Turntrans86.4-3.1179.500000116.1N140N140-G142 PolarHBondContact O-N 2.77Å
143E84.6Confident83.5Confident114 Ų11460.4 Ų60.453%0.53333%0.328SS..SBendtrans-99150.5175.5-63.2-168.4167.100112.6W136 N140 M145W136-E143 HydrophobicContact CZ2-CB 4.37Å; W136-E143 PolarHBondContact NE1-O 2.89Å; N140-E143 HydrophobicContact CB-CB 4.49Å; N140-E143 PolarHBondContact O-N 3.01Å; E143-M145 PolarHBondContact O-N 3.05Å
144P86.4Confident83.1Confident55 Ų5560.9 Ų60.936%0.35733%0.333SS..  trans-59.2131.3172.8-21.932.9000111.6F57 P78 W136 R146F57-P144 HydrophobicContact CB-CB 4.02Å; F57-P144 HydrophobicContact CB-CG 4.36Å; F57-P144 CarbonylContact O-C 3.49Å; F57-P144 WeakPolarHBondContact O-CA 3.28Å; P78-P144 HydrophobicContact CB-CB 4.27Å; W136-P144 WeakPolarHBondContact CZ2-O 3.24Å; P144-R146 PolarHBondContact O-N 3.18Å; P144-R146 VanDerWaalsContact O-N 3.12Å
145M91.9Very high82.4Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-63.1112.9-179.4-172.4169.556.500111.4F56 F57 V58 T59 V117 V128 V131 Y132 W136 E143 I147F56-M145 HydrophobicContact CE2-CE 4.02Å; F57-M145 PolarHBondContact O-N 3Å; V58-M145 CarbonylContact C-O 3.54Å; V58-M145 WeakPolarHBondContact CA-O 3.47Å; V58-M145 HydrophobicContact CG1-CE 4.42Å; V58-M145 HydrophobicContact CG2-CB 4.41Å; V58-M145 HydrophobicContact CG2-CE 3.85Å; T59-M145 PolarHBondContact N-O 3.27Å; V117-M145 HydrophobicContact CG1-CG 4.11Å; V117-M145 HydrophobicContact CG1-SD 4.17Å; V128-M145 HydrophobicContact CG1-CE 3.67Å; V131-M145 HydrophobicContact CG1-SD 4.2Å; Y132-M145 HydrophobicContact CD2-CB 3.82Å; Y132-M145 HydrophobicContact CD2-CG 4.32Å; Y132-M145 HydrophobicContact CD2-SD 4.04Å; Y132-M145 HydrophobicContact CE2-CB 4.19Å; W136-M145 HydrophobicContact CB-CG 3.95Å; W136-M145 HydrophobicContact CB-SD 4.03Å; W136-M145 HydrophobicContact CD2-CB 4.19Å; W136-M145 HydrophobicContact CD2-CG 3.87Å; W136-M145 HydrophobicContact CE3-CG 4.16Å; W136-M145 HydrophobicContact CG-CB 4.05Å; W136-M145 HydrophobicContact CG-CG 3.76Å; W136-M145 HydrophobicContact CG-SD 4.45Å; E143-M145 PolarHBondContact O-N 3.05Å; M145-I147 HydrophobicContact CE-CD1 4.04Å; M145-I147 HydrophobicContact CE-CG1 4.4Å; M145-I147 HydrophobicContact CG-CG1 4.39Å; M145-I147 PolarHBondContact O-N 3.45Å
146R91.8Very high81.6Confident103 Ų10363.1 Ų63.139%0.38936%0.36SS..EExtended strand (participates in β ladder)trans-85.1116179.5-171.6177.7172.2-118.6-7.7110.4E61 W136 P144E61-R146 IonicContact OE1-NE 2.68Å; E61-R146 IonicContact OE2-CZ 3.38Å; E61-R146 IonicContact OE2-NE 3.08Å; E61-R146 PolarHBondContact OE2-NE 3Å; E61-R146 IonicContact OE2-NH2 3.88Å; E61-R146 PolarHBondContact OE2-NH2 3.39Å; W136-R146 HydrophobicContact CH2-CB 3.5Å; W136-R146 HydrophobicContact CZ2-CB 4.31Å; W136-R146 HydrophobicContact CZ3-CB 3.84Å; P144-R146 PolarHBondContact O-N 3.18Å; P144-R146 VanDerWaalsContact O-N 3.12Å
147I94.1Very high80.6Confident0 Ų070.1 Ų70.10%040%0.398CS..EExtended strand (participates in β ladder)trans-110.4121174.8-49.9-179.1000108.7V58 T59 L60 E61 M90 I93 L115 L116 V117 M145V58-I147 HydrophobicContact CG1-CD1 3.38Å; V58-I147 HydrophobicContact CG1-CG1 3.78Å; T59-I147 PolarHBondContact O-N 3.33Å; L60-I147 WeakPolarHBondContact CA-O 3.34Å; L60-I147 HydrophobicContact CD2-CB 3.8Å; L60-I147 HydrophobicContact CD2-CD1 3.87Å; L60-I147 HydrophobicContact CD2-CG1 4.17Å; L60-I147 HydrophobicContact CD2-CG2 4.41Å; E61-I147 PolarHBondContact N-O 2.71Å; M90-I147 HydrophobicContact CE-CD1 3.97Å; M90-I147 HydrophobicContact CE-CG2 4.47Å; I93-I147 HydrophobicContact CD1-CD1 3.56Å; I93-I147 HydrophobicContact CG2-CD1 4.07Å; L115-I147 HydrophobicContact CB-CG2 3.93Å; L115-I147 HydrophobicContact CD2-CG2 4.17Å; L115-I147 HydrophobicContact CG-CG2 4.43Å; L116-I147 CarbonylContact O-C 3.55Å; L116-I147 WeakPolarHBondContact O-CA 3.3Å; V117-I147 HydrophobicContact CG2-CG1 3.96Å; V117-I147 HydrophobicContact CG2-CG2 4.39Å; M145-I147 HydrophobicContact CE-CD1 4.04Å; M145-I147 HydrophobicContact CE-CG1 4.4Å; M145-I147 HydrophobicContact CG-CG1 4.39Å; M145-I147 PolarHBondContact O-N 3.45Å
148V92.3Very high80.1Confident17 Ų1771 Ų7110%0.10341%0.408CS..EExtended strand (participates in β ladder)trans-99.8125.1175.8-177.70000109E61 D63 L116E61-V148 CarbonylContact O-C 3.47Å; E61-V148 VanDerWaalsContact O-CA 3.25Å; E61-V148 WeakPolarHBondContact O-CA 3.3Å; D63-V148 HydrophobicContact CB-CG1 4.05Å; L116-V148 HydrophobicContact CB-CB 4.29Å; L116-V148 PolarHBondContact N-O 3.26Å; L116-V148 PolarHBondContact O-N 3.47Å
149Y91.3Very high80Confident3 Ų372.8 Ų72.81%0.01242%0.419CS..EExtended strand (participates in β ladder)trans-110.1140.7179.564-90.4000112.4L60 E61 K62 D63 L70 M74 I97 M113 E114L60-Y149 HydrophobicContact CB-CE1 4.42Å; E61-Y149 VanDerWaalsContact C-CE1 3.41Å; E61-Y149 WeakPolarHBondContact O-CD1 3.38Å; E61-Y149 WeakPolarHBondContact O-CE1 3.5Å; E61-Y149 PolarHBondContact O-N 3.44Å; K62-Y149 WeakPolarHBondContact CE-OH 3.35Å; K62-Y149 HydrophobicContact CG-CE1 4.17Å; K62-Y149 HydrophobicContact CG-CE2 3.61Å; K62-Y149 WeakPolarHBondContact CG-OH 3.29Å; D63-Y149 PolarHBondContact N-O 2.89Å; D63-Y149 VanDerWaalsContact N-O 3.15Å; L70-Y149 HydrophobicContact CD1-CD2 3.98Å; L70-Y149 HydrophobicContact CD1-CE2 3.99Å; M74-Y149 HydrophobicContact CG-CE1 4.18Å; I97-Y149 HydrophobicContact CD1-CD1 3.69Å; I97-Y149 HydrophobicContact CD1-CE1 4.32Å; I97-Y149 HydrophobicContact CD1-CG 3.9Å; I97-Y149 HydrophobicContact CG1-CD1 4.31Å; I97-Y149 HydrophobicContact CG1-CE1 4.47Å; I97-Y149 HydrophobicContact CG2-CD1 4.23Å; I97-Y149 HydrophobicContact CG2-CD2 3.72Å; I97-Y149 HydrophobicContact CG2-CE1 4.19Å; I97-Y149 HydrophobicContact CG2-CE2 3.66Å; I97-Y149 HydrophobicContact CG2-CG 4.02Å; M113-Y149 HydrophobicContact SD-CD2 4.37Å; E114-Y149 WeakPolarHBondContact O-CA 3.3Å
150R89.5Confident80.3Confident20 Ų2071 Ų718%0.07540%0.404CS..EExtended strand (participates in β ladder)trans-150.7163.2-179.174.4-176-174.2-171.7-1112.9D63 M113 E114 L116 E160D63-R150 HydrophobicContact CB-CB 3.7Å; D63-R150 VanDerWaalsContact OD2-CD 3.29Å; D63-R150 WeakPolarHBondContact OD2-CD 3.49Å; D63-R150 IonicContact OD2-NH1 3.97Å; M113-R150 WeakPolarHBondContact CA-O 3.44Å; M113-R150 WeakPolarHBondContact CG-O 3.22Å; E114-R150 HydrophobicContact CB-CG 4.22Å; E114-R150 PolarHBondContact N-O 2.89Å; E114-R150 PolarHBondContact O-N 3.12Å; E114-R150 VanDerWaalsContact O-N 3.08Å; E114-R150 IonicContact OE2-CZ 3.25Å; E114-R150 IonicContact OE2-NE 2.71Å; E114-R150 PolarHBondContact OE2-NE 3.06Å; E114-R150 IonicContact OE2-NH2 3.26Å; E114-R150 PolarHBondContact OE2-NH2 3.19Å; L116-R150 HydrophobicContact CD1-CG 4.01Å; R150-E160 IonicContact CZ-OE1 3.17Å; R150-E160 IonicContact CZ-OE2 2.78Å; R150-E160 IonicContact NH1-OE1 2.76Å; R150-E160 PolarHBondContact NH1-OE1 3.37Å; R150-E160 IonicContact NH1-OE2 2.71Å; R150-E160 IonicContact NH2-OE1 2.79Å; R150-E160 PolarHBondContact NH2-OE1 2.96Å; R150-E160 VanDerWaalsContact NH2-OE1 3.13Å; R150-E160 IonicContact NH2-OE2 3.58Å; R150-E160 PolarHBondContact NH2-OE2 3.44Å
151M81.9Confident80.6Confident46 Ų4674.6 Ų74.623%0.22742%0.419CS..EExtended strand (participates in β ladder)trans-79.5136.2173.3-61.5-70-66.200110.6Q66 L70 L106 G112 L154Q66-M151 PolarHBondContact NE2-O 3.09Å; Q66-M151 PolarHBondContact OE1-O 3.14Å; L70-M151 HydrophobicContact CD2-CG 3.81Å; L70-M151 HydrophobicContact CD2-SD 3.98Å; L70-M151 HydrophobicContact CG-CG 4.41Å; L106-M151 HydrophobicContact CD1-CE 3.9Å; L106-M151 HydrophobicContact CD1-SD 3.36Å; L106-M151 WeakPolarHBondContact CD1-SD 3.25Å; L106-M151 HydrophobicContact CD2-CE 3.95Å; L106-M151 HydrophobicContact CD2-SD 4.39Å; G112-M151 WeakPolarHBondContact O-CA 3.34Å; M151-L154 HydrophobicContact CB-CD1 3.53Å; M151-L154 HydrophobicContact CB-CG 3.88Å; M151-L154 HydrophobicContact CG-CD1 3.91Å
152R81.8Confident81.1Confident154 Ų15471.4 Ų71.458%0.58140%0.403SS*.THydrogen-bonded Turntrans-69.6135.7176.9-172167.2-169.4-165.9-0111.1S111 G112 E114 L154S111-R152 VanDerWaalsContact O-CB 3.23Å; S111-R152 WeakPolarHBondContact O-CB 3.29Å; S111-R152 WeakPolarHBondContact O-CD 3.27Å; G112-R152 PolarHBondContact O-N 3.32Å; G112-R152 VanDerWaalsContact O-N 3.08Å; E114-R152 HydrophobicContact CG-CB 4.12Å; E114-R152 HydrophobicContact CG-CG 4.33Å; E114-R152 WeakPolarHBondContact OE1-CG 3.42Å; E114-R152 IonicContact OE1-NE 2.65Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 2.94Å
153G74.1Confident81.6Confident58 Ų5868.9 Ų68.960%0.59837%0.372SS*.THydrogen-bonded Turntrans78.41.7169.500000117
154L74Confident81.5Confident84 Ų8469.3 Ų69.344%0.4437%0.374SS..THydrogen-bonded Turntrans-70.3-29.7177.5-79.8-175.6000113.9F69 M151 R152F69-L154 HydrophobicContact CB-CD1 3.89Å; F69-L154 HydrophobicContact CD1-CD1 4.29Å; F69-L154 HydrophobicContact CD2-CD1 4.43Å; F69-L154 HydrophobicContact CG-CD1 3.96Å; M151-L154 HydrophobicContact CB-CD1 3.53Å; M151-L154 HydrophobicContact CB-CG 3.88Å; M151-L154 HydrophobicContact CG-CD1 3.91Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 2.94Å
155L68.6Low81Confident97 Ų9770.2 Ų70.251%0.50838%0.381SS..THydrogen-bonded Turntrans-110.712.4-175-63173.4000113.3Q65 Q66Q65-L155 HydrophobicContact CB-CD1 3.83Å; Q66-L155 HydrophobicContact CG-CD1 3.92Å; Q66-L155 HydrophobicContact CG-CG 4.37Å
156G66.1Low80.2Confident47 Ų4771.5 Ų71.549%0.48539%0.388SS..SBendtrans100.2-166.6-172.200000112.8
157D66.3Low78.2Confident161 Ų16172.5 Ų72.586%0.86140%0.402SS*.SBendtrans-66.3137.5179.8-63.8-33.6000110.9T159D157-T159 PolarHBondContact O-N 2.9Å
158A71.7Confident75.5Confident52 Ų5276.3 Ų76.343%0.4343%0.428SS..  trans-61.8128.4177.100000110.5I121I121-A158 HydrophobicContact CD1-CB 3.66Å
159T76.2Confident72.9Confident137 Ų13781.7 Ų81.784%0.8446%0.461SS*.  trans-104.5-9.1178.558.30000112.2D157D157-T159 PolarHBondContact O-N 2.9Å
160E81.5Confident70.5Confident58 Ų5885.2 Ų85.227%0.27148%0.483SS..SBendtrans-75.6149176.2-60.389.6158.800111.9L116 I121 R150 F162L116-E160 HydrophobicContact CD2-CG 4.21Å; I121-E160 HydrophobicContact CD1-CB 4.03Å; I121-E160 HydrophobicContact CG1-CB 4.01Å; R150-E160 IonicContact CZ-OE1 3.17Å; R150-E160 IonicContact CZ-OE2 2.78Å; R150-E160 IonicContact NH1-OE1 2.76Å; R150-E160 PolarHBondContact NH1-OE1 3.37Å; R150-E160 IonicContact NH1-OE2 2.71Å; R150-E160 IonicContact NH2-OE1 2.79Å; R150-E160 PolarHBondContact NH2-OE1 2.96Å; R150-E160 VanDerWaalsContact NH2-OE1 3.13Å; R150-E160 IonicContact NH2-OE2 3.58Å; R150-E160 PolarHBondContact NH2-OE2 3.44Å; E160-F162 PolarHBondContact O-N 3.48Å
161E82.6Confident68Low117 Ų11791.8 Ų91.855%0.54752%0.519SS..PPolyproline II helixtrans-66.2129.6178.3-172.2-175.7177.700110.5K120 I121K120-E161 CarbonylContact C-O 3.54Å; K120-E161 WeakPolarHBondContact CA-O 3.28Å; K120-E161 WeakPolarHBondContact CE-OE2 3.32Å; K120-E161 HydrophobicContact CG-CB 4.4Å; K120-E161 IonicContact NZ-OE1 3.36Å; K120-E161 IonicContact NZ-OE2 3.16Å; K120-E161 PolarHBondContact NZ-OE2 3.39Å; I121-E161 PolarHBondContact N-O 3.19Å
162F84.4Confident66.2Low105 Ų10597.8 Ų97.846%0.46155%0.547SS..EExtended strand (participates in β ladder)trans-98.6121.2177.5-172.5-127.7000110.9I121 E160 E164I121-F162 HydrophobicContact CB-CD2 3.7Å; I121-F162 HydrophobicContact CB-CE2 4.42Å; I121-F162 HydrophobicContact CG2-CD2 3.43Å; I121-F162 VanDerWaalsContact CG2-CD2 3.43Å; I121-F162 HydrophobicContact CG2-CE2 3.68Å; I121-F162 CarbonylContact O-C 3.56Å; I121-F162 WeakPolarHBondContact O-CA 3.41Å; I121-F162 WeakPolarHBondContact O-CD2 3.43Å; E160-F162 PolarHBondContact O-N 3.48Å; F162-E164 HydrophobicContact CD1-CG 3.33Å; F162-E164 VanDerWaalsContact CD1-OE1 3.29Å; F162-E164 WeakPolarHBondContact CD1-OE1 3.46Å; F162-E164 HydrophobicContact CE1-CG 3.15Å; F162-E164 WeakPolarHBondContact CE1-OE1 3.4Å; F162-E164 HydrophobicContact CG-CG 4.38Å; F162-E164 HydrophobicContact CZ-CG 4.09Å
163I83.6Confident64.4Low19 Ų19100.2 Ų100.210%0.09757%0.565CS.*EExtended strand (participates in β ladder)trans-97.3103.1177.4-58.4-175.2000108.9K120 I121 I122 S123 L126 V135 L166K120-I163 HydrophobicContact CB-CD1 4.12Å; K120-I163 HydrophobicContact CB-CG1 4.33Å; K120-I163 HydrophobicContact CD-CD1 3.61Å; K120-I163 HydrophobicContact CD-CG1 4.24Å; I121-I163 PolarHBondContact O-N 3.4Å; I122-I163 HydrophobicContact CD1-CB 4.11Å; I122-I163 HydrophobicContact CD1-CD1 3.85Å; I122-I163 HydrophobicContact CD1-CG1 4.22Å; S123-I163 VanDerWaalsContact CB-O 3.31Å; S123-I163 WeakPolarHBondContact CB-O 3.49Å; S123-I163 PolarHBondContact N-O 2.97Å; L126-I163 HydrophobicContact CD1-CG2 3.92Å; L126-I163 WeakPolarHBondContact CD1-O 3.06Å; V135-I163 HydrophobicContact CG1-CD1 4.15Å; V135-I163 HydrophobicContact CG2-CD1 3.96Å; I163-L166 HydrophobicContact CG2-CD2 3.82Å; I163-L166 HydrophobicContact CG2-CG 4.46Å
164E82.5Confident63.6Low122 Ų122103 Ų10357%0.5756%0.563SS**SBendtrans-88.4-32.6176-71.5179.917800113F162F162-E164 HydrophobicContact CD1-CG 3.33Å; F162-E164 VanDerWaalsContact CD1-OE1 3.29Å; F162-E164 WeakPolarHBondContact CD1-OE1 3.46Å; F162-E164 HydrophobicContact CE1-CG 3.15Å; F162-E164 WeakPolarHBondContact CE1-OE1 3.4Å; F162-E164 HydrophobicContact CG-CG 4.38Å; F162-E164 HydrophobicContact CZ-CG 4.09Å
165S75.9Confident63.5Low74 Ų74103.8 Ų103.852%0.51757%0.567SS.*  trans-137.1142.117857.80000110.4D167S165-D167 PolarHBondContact O-N 3.32Å; S165-D167 PolarHBondContact OG-OD1 3.12Å
166L74.1Confident63.9Low28 Ų28104.3 Ų104.315%0.14757%0.567CS.*  trans-94.682.4169.8-64.2169.6000107.1L126 E130 V131 K134 V135 I163 S168L126-L166 HydrophobicContact CD1-CD1 4.44Å; L126-L166 HydrophobicContact CD1-CG 4.08Å; L126-L166 HydrophobicContact CD2-CD1 4.32Å; L126-L166 HydrophobicContact CD2-CG 4.11Å; E130-L166 HydrophobicContact CB-CD1 3.49Å; E130-L166 VanDerWaalsContact CB-CD1 3.49Å; V131-L166 HydrophobicContact CG2-CD1 3.99Å; K134-L166 HydrophobicContact CB-CD2 4.31Å; K134-L166 HydrophobicContact CD-CB 3.96Å; V135-L166 HydrophobicContact CG2-CD2 3.52Å; I163-L166 HydrophobicContact CG2-CD2 3.82Å; I163-L166 HydrophobicContact CG2-CG 4.46Å; L166-S168 PolarHBondContact O-N 3.42Å
167D49.6Very low64.7Low124 Ų124105.4 Ų105.466%0.66356%0.559SS**  trans-36.7107.9-172-69.5-21.2000113.1S165 T169S165-D167 PolarHBondContact O-N 3.32Å; S165-D167 PolarHBondContact OG-OD1 3.12Å; D167-T169 PolarHBondContact O-N 2.87Å
168S37.1Very low65.4Low79 Ų79103 Ų10355%0.55254%0.543SS*.  trans-80.2101.5152.6440000106.6L166 T170L166-S168 PolarHBondContact O-N 3.42Å; S168-T170 PolarHBondContact O-N 2.99Å
169T37.3Very low66Low131 Ų131102.5 Ų102.580%0.80454%0.535SS*.  trans-73.865.2165.631.70000109.2D167D167-T169 PolarHBondContact O-N 2.87Å
170T42.1Very low66.5Low76 Ų7697.2 Ų97.247%0.46650%0.5SS..  trans-166.465172.539.90000111.1S168 E174S168-T170 PolarHBondContact O-N 2.99Å; T170-E174 HydrophobicContact CG2-CG 4.46Å; T170-E174 VanDerWaalsContact CG2-OE1 3.26Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.28Å
171D37.2Very low66.8Low158 Ų15899.2 Ų99.285%0.84551%0.507SS*.  trans-13124.3158.9-87.4-32.2000110.3
172E42.6Very low67Low173 Ų17394.9 Ų94.981%0.80849%0.487SS*.SBendtrans-80.6129.5147.5-64.1-174.8172.400104.8E174E172-E174 VanDerWaalsContact C-N 3.28Å; E172-E174 PolarHBondContact O-N 3.47Å
173E44Very low67.2Low205 Ų20589.9 Ų89.996%0.95847%0.465SS*.  trans-5494.9171.5-75.3177.5157.300108.2D175E173-D175 PolarHBondContact O-N 3.27Å
174E57.4Low67.5Low117 Ų11789.5 Ų89.555%0.54747%0.466SS..  trans-63.6129.2176.3-70.2-170152.300108T170 E172 E176 V179T170-E174 HydrophobicContact CG2-CG 4.46Å; T170-E174 VanDerWaalsContact CG2-OE1 3.26Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.28Å; E172-E174 VanDerWaalsContact C-N 3.28Å; E172-E174 PolarHBondContact O-N 3.47Å; E174-E176 PolarHBondContact O-N 3.39Å; E174-V179 HydrophobicContact CB-CG2 3.73Å
175D73.4Confident67.9Low100 Ų10084 Ų8454%0.53544%0.441SS..  trans-56.2114.8177.2-177.1-8.1000109.7E173 E177 E178 V179E173-D175 PolarHBondContact O-N 3.27Å; D175-E177 PolarHBondContact O-N 2.95Å; D175-E177 VanDerWaalsContact O-N 3.09Å; D175-E177 WeakPolarHBondContact OD1-CB 3.47Å; D175-E177 PolarHBondContact OD1-N 3.48Å; D175-E178 HydrophobicContact CB-CB 4.26Å; D175-E178 HydrophobicContact CB-CG 4.35Å; D175-E178 WeakPolarHBondContact O-CA 3.45Å; D175-E178 WeakPolarHBondContact O-CB 3.32Å; D175-E178 PolarHBondContact O-N 3.44Å; D175-V179 PolarHBondContact O-N 2.99Å
176E75.8Confident68.6Low107 Ų10780.5 Ų80.550%0.542%0.417SS..Hα-helixtrans-55-31.1-179.8-67-158.7132.800111.7E174 E178 Y180 K224E174-E176 PolarHBondContact O-N 3.39Å; E176-E178 VanDerWaalsContact C-N 3.32Å; E176-E178 PolarHBondContact O-N 2.91Å; E176-Y180 HydrophobicContact CB-CD2 4.46Å; E176-Y180 VanDerWaalsContact O-CD2 3.23Å; E176-Y180 WeakPolarHBondContact O-CD2 3.39Å; E176-Y180 PolarHBondContact O-N 3.47Å; E176-K224 HydrophobicContact CB-CD 4.44Å; E176-K224 WeakPolarHBondContact OE1-CE 3.26Å; E176-K224 IonicContact OE1-NZ 3.63Å; E176-K224 PolarHBondContact OE1-NZ 2.95Å; E176-K224 IonicContact OE2-NZ 3.32Å
177E83.1Confident69.4Low70 Ų7080 Ų8033%0.32742%0.417SS..Hα-helixtrans-68.8-32.2178-170.7153.3-157.100112D175 K181 K226D175-E177 PolarHBondContact O-N 2.95Å; D175-E177 VanDerWaalsContact O-N 3.09Å; D175-E177 WeakPolarHBondContact OD1-CB 3.47Å; D175-E177 PolarHBondContact OD1-N 3.48Å; E177-K181 WeakPolarHBondContact O-CA 3.34Å; E177-K181 WeakPolarHBondContact O-CB 3.4Å; E177-K181 PolarHBondContact O-N 3.36Å; E177-K181 VanDerWaalsContact O-N 3.13Å; E177-K226 WeakPolarHBondContact OE1-CB 3.34Å; E177-K226 PolarHBondContact OE1-N 3.15Å
178E81Confident71.2Confident110 Ų11081.8 Ų81.851%0.51442%0.421SS..Hα-helixtrans-76-41.2174.3-78.7-61.2139.900112.6D175 E176 Y180 K181D175-E178 HydrophobicContact CB-CB 4.26Å; D175-E178 HydrophobicContact CB-CG 4.35Å; D175-E178 WeakPolarHBondContact O-CA 3.45Å; D175-E178 WeakPolarHBondContact O-CB 3.32Å; D175-E178 PolarHBondContact O-N 3.44Å; E176-E178 VanDerWaalsContact C-N 3.32Å; E176-E178 PolarHBondContact O-N 2.91Å; E178-Y180 VanDerWaalsContact C-N 3.32Å; E178-Y180 PolarHBondContact O-N 2.91Å; E178-K181 WeakPolarHBondContact O-CD 3.43Å; E178-K181 VanDerWaalsContact O-CG 3.25Å; E178-K181 WeakPolarHBondContact O-CG 3.25Å; E178-K181 PolarHBondContact O-N 3.37Å; E178-K181 IonicContact OE2-NZ 2.85Å; E178-K181 PolarHBondContact OE2-NZ 3.02Å
179V83.8Confident73.6Confident43 Ų4379 Ų7926%0.26140%0.401SS..Hα-helixtrans-60.7-43.9176.9179.20000110.7Y47 E174 D175Y47-V179 HydrophobicContact CD2-CG1 4Å; Y47-V179 HydrophobicContact CE2-CG1 3.91Å; E174-V179 HydrophobicContact CB-CG2 3.73Å; D175-V179 PolarHBondContact O-N 2.99Å
180Y88.1Confident76Confident26 Ų2673.5 Ų73.510%0.10237%0.371CS..THydrogen-bonded Turntrans-96.711.9-176.1-65.7-83.8000114.1I46 Y47 E176 E178 M182 A183 Y221 K224 V225I46-Y180 HydrophobicContact CG2-CD1 4.04Å; Y47-Y180 HydrophobicContact CD2-CE1 4.12Å; Y47-Y180 HydrophobicContact CG-CE1 4.16Å; E176-Y180 HydrophobicContact CB-CD2 4.46Å; E176-Y180 VanDerWaalsContact O-CD2 3.23Å; E176-Y180 WeakPolarHBondContact O-CD2 3.39Å; E176-Y180 PolarHBondContact O-N 3.47Å; E178-Y180 VanDerWaalsContact C-N 3.32Å; E178-Y180 PolarHBondContact O-N 2.91Å; Y180-M182 PolarHBondContact O-N 2.91Å; Y180-A183 WeakPolarHBondContact O-CB 3.44Å; Y180-A183 PolarHBondContact O-N 3.26Å; Y180-Y221 AromaticContact CD1-CD1 3.93Å; Y180-Y221 HydrophobicContact CD1-CD1 3.93Å; Y180-Y221 AromaticContact CD1-CG 3.97Å; Y180-Y221 HydrophobicContact CD1-CG 3.97Å; Y180-Y221 AromaticContact CE1-CD1 3.36Å; Y180-Y221 HydrophobicContact CE1-CD1 3.36Å; Y180-Y221 AromaticContact CE1-CE1 3.81Å; Y180-Y221 HydrophobicContact CE1-CE1 3.81Å; Y180-Y221 AromaticContact CE1-CG 3.85Å; Y180-Y221 HydrophobicContact CE1-CG 3.85Å; Y180-K224 HydrophobicContact CD1-CD 4.37Å; Y180-K224 HydrophobicContact CD2-CB 4.14Å; Y180-K224 HydrophobicContact CD2-CD 3.28Å; Y180-K224 HydrophobicContact CD2-CG 4.33Å; Y180-K224 HydrophobicContact CE1-CD 4.32Å; Y180-K224 HydrophobicContact CE2-CD 3.23Å; Y180-K224 VanDerWaalsContact CE2-NZ 3.29Å; Y180-K224 HydrophobicContact CG-CB 4.26Å; Y180-K224 HydrophobicContact CG-CD 3.87Å; Y180-K224 PolarHBondContact OH-NZ 2.95Å; Y180-V225 WeakPolarHBondContact O-CG2 3.35Å
181K87.1Confident78.4Confident100 Ų10069.9 Ų69.944%0.43535%0.348SS..G310 helixtrans-52.6-30-174.268.6-174.5169.1-164.60115.2E177 E178 A183 G184E177-K181 WeakPolarHBondContact O-CA 3.34Å; E177-K181 WeakPolarHBondContact O-CB 3.4Å; E177-K181 PolarHBondContact O-N 3.36Å; E177-K181 VanDerWaalsContact O-N 3.13Å; E178-K181 WeakPolarHBondContact O-CD 3.43Å; E178-K181 VanDerWaalsContact O-CG 3.25Å; E178-K181 WeakPolarHBondContact O-CG 3.25Å; E178-K181 PolarHBondContact O-N 3.37Å; E178-K181 IonicContact OE2-NZ 2.85Å; E178-K181 PolarHBondContact OE2-NZ 3.02Å; K181-A183 PolarHBondContact O-N 3.37Å; K181-G184 PolarHBondContact O-N 3.36Å
182M85.8Confident81Confident25 Ų2562.4 Ų62.412%0.12331%0.308CS..G310 helixtrans-62.5-27.6175.5-72.9-5998.800112.8E10 K14 I46 Y180 G184 V185E10-M182 HydrophobicContact CG-CE 3.65Å; E10-M182 HydrophobicContact CG-SD 3.98Å; E10-M182 VanDerWaalsContact OE1-CE 3.28Å; E10-M182 WeakPolarHBondContact OE1-CE 3.49Å; K14-M182 HydrophobicContact CG-SD 4.49Å; I46-M182 HydrophobicContact CG1-CB 4.28Å; Y180-M182 PolarHBondContact O-N 2.91Å; M182-G184 PolarHBondContact O-N 3.31Å; M182-V185 VanDerWaalsContact O-CG2 3.29Å; M182-V185 WeakPolarHBondContact O-CG2 3.25Å; M182-V185 PolarHBondContact O-N 3.44Å
183A90.5Very high83.5Confident0 Ų056.8 Ų56.80%028%0.282CS..G310 helixtrans-63.8-21.3174.500000112.6I46 Y180 K181 V185 M186 V225 N228I46-A183 HydrophobicContact CD1-CB 4.05Å; I46-A183 HydrophobicContact CG1-CB 4.45Å; I46-A183 HydrophobicContact CG2-CB 4.01Å; Y180-A183 WeakPolarHBondContact O-CB 3.44Å; Y180-A183 PolarHBondContact O-N 3.26Å; K181-A183 PolarHBondContact O-N 3.37Å; A183-V185 PolarHBondContact O-N 2.89Å; A183-V185 VanDerWaalsContact O-N 3.12Å; A183-M186 VanDerWaalsContact O-CB 3.25Å; A183-M186 WeakPolarHBondContact O-CB 3.38Å; A183-M186 WeakPolarHBondContact O-CG 3.33Å; A183-M186 PolarHBondContact O-N 2.8Å; A183-V225 HydrophobicContact CB-CG2 4.08Å; A183-N228 VanDerWaalsContact C-ND2 3.31Å; A183-N228 PolarHBondContact O-ND2 3.04Å; A183-N228 PolarHBondContact O-OD1 3.29Å
184G88.4Confident85.8Confident11 Ų1147.3 Ų47.311%0.11324%0.238CC..G310 helixtrans-60.7-2017800000114.5K181 M182 M186K181-G184 PolarHBondContact O-N 3.36Å; M182-G184 PolarHBondContact O-N 3.31Å; G184-M186 PolarHBondContact O-N 3.31Å
185V90.4Very high87.6Confident8 Ų841.8 Ų41.85%0.04821%0.212CC..Hα-helixtrans-62.2-29.5174.2-1790000111.7K14 M17 M182 A183 A187 Q188 C189K14-V185 HydrophobicContact CB-CG2 4.02Å; K14-V185 HydrophobicContact CD-CG2 3.94Å; K14-V185 HydrophobicContact CG-CG2 3.5Å; M17-V185 HydrophobicContact CB-CG1 4.3Å; M17-V185 HydrophobicContact CE-CB 4.37Å; M17-V185 HydrophobicContact SD-CB 4.5Å; M17-V185 HydrophobicContact SD-CG2 4.37Å; M182-V185 VanDerWaalsContact O-CG2 3.29Å; M182-V185 WeakPolarHBondContact O-CG2 3.25Å; M182-V185 PolarHBondContact O-N 3.44Å; A183-V185 PolarHBondContact O-N 2.89Å; A183-V185 VanDerWaalsContact O-N 3.12Å; V185-A187 VanDerWaalsContact C-N 3.28Å; V185-A187 PolarHBondContact O-N 3.08Å; V185-Q188 PolarHBondContact O-N 2.97Å; V185-C189 PolarHBondContact O-N 3.01Å; V185-C189 PolarHBondContact O-SG 3.2Å
186M92.2Very high88.5Confident0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-62.9-33.4-173.6-61.1-63.7-70.900112.5M17 I21 A183 G184 G191 L192 M195 L218M17-M186 HydrophobicContact CE-SD 4.26Å; I21-M186 HydrophobicContact CD1-CE 3.81Å; I21-M186 HydrophobicContact CD1-SD 4.36Å; I21-M186 HydrophobicContact CG1-CE 4.45Å; I21-M186 HydrophobicContact CG1-SD 4.44Å; A183-M186 VanDerWaalsContact O-CB 3.25Å; A183-M186 WeakPolarHBondContact O-CB 3.38Å; A183-M186 WeakPolarHBondContact O-CG 3.33Å; A183-M186 PolarHBondContact O-N 2.8Å; G184-M186 PolarHBondContact O-N 3.31Å; M186-G191 WeakPolarHBondContact O-CA 3.48Å; M186-G191 PolarHBondContact O-N 3.23Å; M186-L192 HydrophobicContact CB-CD2 4.01Å; M186-L192 HydrophobicContact CB-CG 4.1Å; M186-L192 PolarHBondContact O-N 3.23Å; M186-M195 HydrophobicContact CE-CG 4.31Å; M186-M195 HydrophobicContact CE-SD 3.27Å; M186-M195 WeakPolarHBondContact CE-SD 3.41Å; M186-L218 HydrophobicContact CE-CD2 3.87Å; M186-L218 HydrophobicContact CE-CG 4.37Å
187A89.6Confident89.3Confident18 Ų1837.2 Ų37.215%0.14919%0.191CC..Hα-helixtrans-70.6-28.6171.800000113.4V185 L192 V227 N228 Q231V185-A187 VanDerWaalsContact C-N 3.28Å; V185-A187 PolarHBondContact O-N 3.08Å; A187-L192 HydrophobicContact CB-CD1 3.98Å; A187-V227 HydrophobicContact CB-CG1 4.05Å; A187-N228 VanDerWaalsContact CB-OD1 3.23Å; A187-N228 WeakPolarHBondContact CB-OD1 3.14Å; A187-N228 PolarHBondContact N-OD1 3Å; A187-Q231 HydrophobicContact CB-CB 4.17Å; A187-Q231 HydrophobicContact CB-CG 4.38Å
188Q87.4Confident89.7Confident160 Ų16034.4 Ų34.475%0.74818%0.178SC*.Hα-helixtrans-85.6-34.8-175.4-60.6178.75.400112.7V185V185-Q188 PolarHBondContact O-N 2.97Å
189C88Confident90.3Very high22 Ų2229.3 Ų29.315%0.14915%0.154CC..THydrogen-bonded Turntrans-91.66.9-176.667.90000114.3A18 V185 G191A18-C189 HydrophobicContact CB-CB 3.72Å; V185-C189 PolarHBondContact O-N 3.01Å; V185-C189 PolarHBondContact O-SG 3.2Å; C189-G191 PolarHBondContact O-N 3.28Å
190G88.7Confident90.6Very high15 Ų1530 Ų3016%0.15517%0.165CC..THydrogen-bonded Turntrans67.327.9-172.900000112.9E193 C194G190-E193 WeakPolarHBondContact CA-OE2 3.24Å; G190-C194 PolarHBondContact O-N 3.12Å
191G90.9Very high90.6Very high0 Ų029.5 Ų29.50%017%0.167CC..Hα-helixtrans-72.8-39.2-177.700000112.2M186 C189 E193 C194 M195M186-G191 WeakPolarHBondContact O-CA 3.48Å; M186-G191 PolarHBondContact O-N 3.23Å; C189-G191 PolarHBondContact O-N 3.28Å; G191-E193 PolarHBondContact O-N 3.3Å; G191-C194 WeakPolarHBondContact O-CB 3.39Å; G191-C194 PolarHBondContact O-N 2.82Å; G191-M195 VanDerWaalsContact O-CG 3.25Å; G191-M195 WeakPolarHBondContact O-CG 3.24Å; G191-M195 PolarHBondContact O-N 3.26Å
192L93.5Very high90.8Very high0 Ų025.3 Ų25.30%015%0.149CC..Hα-helixtrans-62.9-42.7177.9-61.7174.4000111.5M186 A187 M195 L196 F219 C222 N228 Q231 L232 M237M186-L192 HydrophobicContact CB-CD2 4.01Å; M186-L192 HydrophobicContact CB-CG 4.1Å; M186-L192 PolarHBondContact O-N 3.23Å; A187-L192 HydrophobicContact CB-CD1 3.98Å; L192-M195 PolarHBondContact O-N 3.23Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.34Å; L192-F219 HydrophobicContact CD2-CE1 4.48Å; L192-C222 HydrophobicContact CD2-CB 3.98Å; L192-N228 HydrophobicContact CD1-CB 4.12Å; L192-Q231 HydrophobicContact CD1-CB 3.97Å; L192-Q231 HydrophobicContact CD1-CG 3.92Å; L192-L232 HydrophobicContact CB-CD2 4.25Å; L192-L232 HydrophobicContact CD1-CD2 4.33Å; L192-L232 HydrophobicContact CD1-CG 4.15Å; L192-L232 HydrophobicContact CD2-CD2 4.38Å; L192-M237 HydrophobicContact CB-CE 3.82Å
193E93.2Very high90.8Very high56 Ų5634.7 Ų34.726%0.26218%0.183SC..Hα-helixtrans-63.7-41175.3-63.779.7174.700111.2G190 G191 N197 Q231 M237G190-E193 WeakPolarHBondContact CA-OE2 3.24Å; G191-E193 PolarHBondContact O-N 3.3Å; E193-N197 WeakPolarHBondContact O-CB 3.47Å; E193-N197 VanDerWaalsContact O-CG 3.31Å; E193-N197 PolarHBondContact O-N 2.89Å; E193-N197 PolarHBondContact O-ND2 3.27Å; E193-Q231 PolarHBondContact OE1-NE2 3.14Å; E193-M237 HydrophobicContact CB-CE 4.47Å; E193-M237 VanDerWaalsContact CD-CE 3.49Å; E193-M237 HydrophobicContact CG-CE 3.62Å; E193-M237 HydrophobicContact CG-SD 3.71Å; E193-M237 VanDerWaalsContact OE1-SD 3.35Å
194C92.8Very high90.6Very high6 Ų637.5 Ų37.54%0.04120%0.198CC..Hα-helixtrans-62-46.9175.3-174.60000111I21 K25 G190 G191 N197 R198I21-C194 HydrophobicContact CG2-CB 4.01Å; K25-C194 HydrophobicContact CG-CB 4.19Å; G190-C194 PolarHBondContact O-N 3.12Å; G191-C194 WeakPolarHBondContact O-CB 3.39Å; G191-C194 PolarHBondContact O-N 2.82Å; C194-N197 PolarHBondContact O-N 3.35Å; C194-R198 WeakPolarHBondContact O-CB 3.28Å; C194-R198 VanDerWaalsContact O-CG 3.25Å; C194-R198 WeakPolarHBondContact O-CG 3.47Å; C194-R198 PolarHBondContact O-N 3.47Å
195M94.8Very high90.5Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-62.8-45.1178.7-69.1167.563.600112F39 M186 G191 L192 R198 L199 L215 L218 F219F39-M195 HydrophobicContact CD1-CG 4.49Å; F39-M195 HydrophobicContact CE1-CG 3.91Å; F39-M195 HydrophobicContact CZ-CG 4.49Å; M186-M195 HydrophobicContact CE-CG 4.31Å; M186-M195 HydrophobicContact CE-SD 3.27Å; M186-M195 WeakPolarHBondContact CE-SD 3.41Å; G191-M195 VanDerWaalsContact O-CG 3.25Å; G191-M195 WeakPolarHBondContact O-CG 3.24Å; G191-M195 PolarHBondContact O-N 3.26Å; L192-M195 PolarHBondContact O-N 3.23Å; M195-R198 PolarHBondContact O-N 2.69Å; M195-L199 VanDerWaalsContact O-CB 3.32Å; M195-L199 WeakPolarHBondContact O-CB 3.48Å; M195-L199 PolarHBondContact O-N 2.85Å; M195-L215 HydrophobicContact CB-CD2 3.99Å; M195-L215 HydrophobicContact CG-CD2 3.87Å; M195-L218 HydrophobicContact CE-CB 3.72Å; M195-L218 HydrophobicContact CE-CD2 3.83Å; M195-L218 HydrophobicContact CE-CG 3.57Å; M195-L218 HydrophobicContact CG-CD2 4.42Å; M195-L218 HydrophobicContact SD-CD2 3.65Å; M195-L218 HydrophobicContact SD-CG 3.88Å; M195-F219 HydrophobicContact CB-CE1 4.22Å; M195-F219 HydrophobicContact CB-CE2 3.78Å; M195-F219 HydrophobicContact CB-CZ 3.48Å; M195-F219 VanDerWaalsContact CB-CZ 3.48Å; M195-F219 HydrophobicContact CE-CB 4.25Å; M195-F219 HydrophobicContact CE-CD1 3.7Å; M195-F219 HydrophobicContact CE-CD2 3.56Å; M195-F219 HydrophobicContact CE-CE1 3.85Å; M195-F219 HydrophobicContact CE-CE2 3.71Å; M195-F219 HydrophobicContact CE-CG 3.54Å; M195-F219 HydrophobicContact CE-CZ 3.84Å
196L94.1Very high90.3Very high5 Ų543.4 Ų43.43%0.02622%0.22CC..Hα-helixtrans-62.9-44.1177.4-72.6173000112L192 R198 L199 A200 F219 L232 M237 T239 V242 M243L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.34Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 2.9Å; L196-L199 PolarHBondContact O-N 3.28Å; L196-A200 WeakPolarHBondContact O-CB 3.46Å; L196-A200 PolarHBondContact O-N 3.1Å; L196-F219 HydrophobicContact CD2-CE1 4.18Å; L196-F219 HydrophobicContact CD2-CE2 4.5Å; L196-F219 HydrophobicContact CD2-CZ 3.66Å; L196-F219 HydrophobicContact CG-CE1 4.31Å; L196-F219 HydrophobicContact CG-CZ 3.85Å; L196-L232 HydrophobicContact CD1-CD2 4.16Å; L196-M237 HydrophobicContact CD1-CB 4.09Å; L196-M237 HydrophobicContact CD1-CE 3.93Å; L196-M237 WeakPolarHBondContact CD1-O 3.43Å; L196-T239 HydrophobicContact CD1-CG2 4.49Å; L196-T239 HydrophobicContact CD2-CG2 4.15Å; L196-V242 HydrophobicContact CD2-CB 4.2Å; L196-V242 HydrophobicContact CD2-CG1 4.09Å; L196-M243 HydrophobicContact CD2-CE 4.26Å
197N92.4Very high89.9Confident106 Ų10650 Ų5057%0.56725%0.251SS*.Hα-helixtrans-62.1-39.7176.2-78.8-45.8000112.3E193 C194 G201E193-N197 WeakPolarHBondContact O-CB 3.47Å; E193-N197 VanDerWaalsContact O-CG 3.31Å; E193-N197 PolarHBondContact O-N 2.89Å; E193-N197 PolarHBondContact O-ND2 3.27Å; C194-N197 PolarHBondContact O-N 3.35Å; N197-G201 PolarHBondContact O-N 3.3Å; N197-G201 VanDerWaalsContact O-N 3.1Å
198R91.5Very high89.8Confident12 Ų1249.1 Ų49.15%0.04524%0.244CC..Hα-helixtrans-66.8-44176-73.4-72.9173.5-164.9-9.1111.8A24 Y27 N28 L29 F39 C194 M195 L196 G201 L215A24-R198 PolarHBondContact O-NH2 2.94Å; Y27-R198 PolarHBondContact O-NH2 2.86Å; N28-R198 VanDerWaalsContact C-NH1 3.27Å; N28-R198 PolarHBondContact O-NH1 3.06Å; L29-R198 VanDerWaalsContact CA-NH1 3.26Å; F39-R198 HydrophobicContact CE2-CG 4.41Å; F39-R198 HydrophobicContact CZ-CG 4.34Å; C194-R198 WeakPolarHBondContact O-CB 3.28Å; C194-R198 VanDerWaalsContact O-CG 3.25Å; C194-R198 WeakPolarHBondContact O-CG 3.47Å; C194-R198 PolarHBondContact O-N 3.47Å; M195-R198 PolarHBondContact O-N 2.69Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 2.9Å; R198-G201 PolarHBondContact O-N 2.95Å; R198-G201 VanDerWaalsContact O-N 3.16Å; R198-L215 HydrophobicContact CB-CD1 3.94Å
199L92.6Very high89.9Confident3 Ų346.9 Ų46.92%0.01623%0.229CC..Hα-helixtrans-62.8-42.9178.5-168.164.3000111.2M195 L196 G201 I202 L212 L215 L216 F219 V242 M243 T246M195-L199 VanDerWaalsContact O-CB 3.32Å; M195-L199 WeakPolarHBondContact O-CB 3.48Å; M195-L199 PolarHBondContact O-N 2.85Å; L196-L199 PolarHBondContact O-N 3.28Å; L199-G201 VanDerWaalsContact C-N 3.27Å; L199-G201 PolarHBondContact O-N 3.34Å; L199-I202 HydrophobicContact CD1-CD1 4.41Å; L199-I202 PolarHBondContact O-N 3.28Å; L199-L212 HydrophobicContact CD1-CG 4.03Å; L199-L215 HydrophobicContact CB-CD1 4.26Å; L199-L215 HydrophobicContact CD1-CB 4.5Å; L199-L215 HydrophobicContact CD1-CD1 4.24Å; L199-L216 HydrophobicContact CD2-CD2 4.37Å; L199-F219 HydrophobicContact CD2-CE2 4.03Å; L199-V242 HydrophobicContact CB-CG1 4.06Å; L199-V242 HydrophobicContact CD2-CG1 4.03Å; L199-V242 HydrophobicContact CG-CG1 4.15Å; L199-M243 HydrophobicContact CD2-CE 4.27Å; L199-M243 HydrophobicContact CD2-SD 3.89Å; L199-T246 HydrophobicContact CD1-CG2 3.98Å; L199-T246 HydrophobicContact CD2-CG2 4.47Å; L199-T246 HydrophobicContact CG-CG2 4.33Å; L199-T246 WeakPolarHBondContact CG-OG1 3.22Å
200A90.3Very high89.9Confident58 Ų5850.9 Ų50.948%0.47925%0.245SC..Hα-helixtrans-66.2-25.417500000113.8L196 I202 V242L196-A200 WeakPolarHBondContact O-CB 3.46Å; L196-A200 PolarHBondContact O-N 3.1Å; A200-I202 VanDerWaalsContact C-N 3.28Å; A200-I202 PolarHBondContact O-N 3.46Å; A200-V242 HydrophobicContact CB-CG1 4.07Å; A200-V242 HydrophobicContact CB-CG2 4.1Å
201G88.2Confident90.1Very high15 Ų1550.3 Ų50.316%0.15524%0.238CC..THydrogen-bonded Turntrans-74.4-13177.200000114.5N197 R198 L199 R203N197-G201 PolarHBondContact O-N 3.3Å; N197-G201 VanDerWaalsContact O-N 3.1Å; R198-G201 PolarHBondContact O-N 2.95Å; R198-G201 VanDerWaalsContact O-N 3.16Å; L199-G201 VanDerWaalsContact C-N 3.27Å; L199-G201 PolarHBondContact O-N 3.34Å; G201-R203 PolarHBondContact O-N 3.32Å
202I90.6Very high90.1Very high12 Ų1250.3 Ų50.36%0.06224%0.238CC..  trans-81.2111179.9-58.1175.2000109.3Y32 L199 A200 L211 L212 L249Y32-I202 HydrophobicContact CE1-CG1 4.38Å; L199-I202 HydrophobicContact CD1-CD1 4.41Å; L199-I202 PolarHBondContact O-N 3.28Å; A200-I202 VanDerWaalsContact C-N 3.28Å; A200-I202 PolarHBondContact O-N 3.46Å; I202-L211 HydrophobicContact CD1-CB 4.43Å; I202-L211 HydrophobicContact CD1-CD2 4.24Å; I202-L211 HydrophobicContact CD1-CG 4.22Å; I202-L212 HydrophobicContact CD1-CB 3.9Å; I202-L212 HydrophobicContact CD1-CG 4.37Å; I202-L249 HydrophobicContact CG2-CD2 4.03Å
203R85.8Confident90Very high221 Ų22152.8 Ų52.883%0.83425%0.253SS*.  trans-105-27.5177.9-62.7-176179.2-179.10.5113.5G201G201-R203 PolarHBondContact O-N 3.32Å
204D86.4Confident90Very high60 Ų6050.5 Ų50.532%0.32124%0.243SC..  trans-108.8113.9176.9-177.9-33.2000109.1K206 Q207 G208D204-K206 VanDerWaalsContact C-N 3.34Å; D204-K206 PolarHBondContact O-N 3.36Å; D204-K206 PolarHBondContact OD1-N 3.09Å; D204-Q207 HydrophobicContact CB-CB 4.2Å; D204-Q207 HydrophobicContact CB-CG 4.35Å; D204-Q207 PolarHBondContact OD1-N 2.7Å; D204-Q207 VanDerWaalsContact OD1-N 3.11Å; D204-Q207 WeakPolarHBondContact OD2-CG 3.27Å; D204-Q207 PolarHBondContact OD2-NE2 3.32Å; D204-G208 PolarHBondContact O-N 3.43Å
205F87.9Confident90.1Very high7 Ų750.2 Ų50.23%0.03124%0.241CC..Hα-helixtrans-60.4-41.4-178.9-174.4-94.7000112.5R209 L212 L249 A250 A253 S260 V265F205-R209 WeakPolarHBondContact O-CA 3.38Å; F205-R209 VanDerWaalsContact O-CB 3.3Å; F205-R209 WeakPolarHBondContact O-CB 3.14Å; F205-R209 PolarHBondContact O-N 3.12Å; F205-L212 HydrophobicContact CD2-CD1 4.17Å; F205-L212 HydrophobicContact CE2-CD1 4.15Å; F205-L249 HydrophobicContact CB-CD1 4.21Å; F205-L249 HydrophobicContact CB-CD2 4.31Å; F205-L249 HydrophobicContact CB-CG 3.99Å; F205-L249 HydrophobicContact CD2-CD2 4.42Å; F205-L249 HydrophobicContact CD2-CG 4.15Å; F205-A250 HydrophobicContact CD2-CB 4.47Å; F205-A250 HydrophobicContact CE2-CB 3.89Å; F205-A253 HydrophobicContact CB-CB 3.7Å; F205-A253 HydrophobicContact CD1-CB 3.45Å; F205-A253 VanDerWaalsContact CD1-CB 3.45Å; F205-A253 HydrophobicContact CD2-CB 4.12Å; F205-A253 HydrophobicContact CE1-CB 4.09Å; F205-A253 HydrophobicContact CG-CB 3.47Å; F205-A253 VanDerWaalsContact CG-CB 3.47Å; F205-S260 WeakPolarHBondContact CE1-O 3.3Å; F205-V265 HydrophobicContact CE2-CB 4.2Å; F205-V265 HydrophobicContact CE2-CG1 4.11Å; F205-V265 HydrophobicContact CE2-CG2 4.1Å; F205-V265 HydrophobicContact CZ-CB 4.3Å; F205-V265 HydrophobicContact CZ-CG2 3.94Å
206K84.8Confident90.2Very high136 Ų13650.2 Ų50.259%0.59124%0.241SC*.Hα-helixtrans-70.8-41.9-174.6-68.1179.1-178.5171.10111.1D204D204-K206 VanDerWaalsContact C-N 3.34Å; D204-K206 PolarHBondContact O-N 3.36Å; D204-K206 PolarHBondContact OD1-N 3.09Å
207Q85.3Confident90.2Very high138 Ų13853 Ų5365%0.64525%0.253SS*.Hα-helixtrans-74.7-36.1179.8-63.4-176.132.100112.5Y32 D204Y32-Q207 HydrophobicContact CD2-CB 4.06Å; Y32-Q207 HydrophobicContact CE2-CB 4.08Å; D204-Q207 HydrophobicContact CB-CB 4.2Å; D204-Q207 HydrophobicContact CB-CG 4.35Å; D204-Q207 PolarHBondContact OD1-N 2.7Å; D204-Q207 VanDerWaalsContact OD1-N 3.11Å; D204-Q207 WeakPolarHBondContact OD2-CG 3.27Å; D204-Q207 PolarHBondContact OD2-NE2 3.32Å
208G87Confident90.3Very high0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-90.2-3.2-178.600000115.3D204 H210 L211 L212D204-G208 PolarHBondContact O-N 3.43Å; G208-H210 VanDerWaalsContact C-N 3.33Å; G208-H210 PolarHBondContact O-N 2.88Å; G208-L211 PolarHBondContact O-N 2.84Å; G208-L211 VanDerWaalsContact O-N 3.16Å; G208-L212 WeakPolarHBondContact O-CB 3.41Å; G208-L212 PolarHBondContact O-N 3.49Å
209R88.3Confident90.5Very high112 Ų11247.3 Ų47.342%0.42322%0.224SC..Hα-helixtrans-49.8-48.2-170.3-176.6174.9170.5-175.7-6.1113.5F205 L212 T213 S260F205-R209 WeakPolarHBondContact O-CA 3.38Å; F205-R209 VanDerWaalsContact O-CB 3.3Å; F205-R209 WeakPolarHBondContact O-CB 3.14Å; F205-R209 PolarHBondContact O-N 3.12Å; R209-L212 WeakPolarHBondContact O-CB 3.49Å; R209-L212 PolarHBondContact O-N 2.87Å; R209-T213 PolarHBondContact O-N 2.92Å; R209-T213 PolarHBondContact O-OG1 3.48Å; R209-T213 VanDerWaalsContact O-OG1 3.06Å; R209-S260 VanDerWaalsContact CZ-O 3.28Å; R209-S260 PolarHBondContact NH1-O 3.08Å
210H89.6Confident90.6Very high106 Ų10649.2 Ų49.249%0.49124%0.238SC..Hα-helixtrans-66.9-44-175.7-17141.3000112V36 E40 G208 L212 T213 V214V36-H210 WeakPolarHBondContact CG1-CD2 3.07Å; V36-H210 WeakPolarHBondContact CG1-NE2 3.44Å; E40-H210 IonicContact OE1-CE1 2.8Å; E40-H210 PolarHBondContact OE1-CE1 3.36Å; E40-H210 IonicContact OE1-NE2 3.24Å; G208-H210 VanDerWaalsContact C-N 3.33Å; G208-H210 PolarHBondContact O-N 2.88Å; H210-L212 VanDerWaalsContact C-N 3.31Å; H210-L212 PolarHBondContact O-N 3.1Å; H210-T213 PolarHBondContact O-N 3.48Å; H210-V214 WeakPolarHBondContact O-CG2 3.2Å; H210-V214 PolarHBondContact O-N 2.95Å; H210-V214 VanDerWaalsContact O-N 3.07Å
211L91.5Very high90.7Very high3 Ų347.3 Ų47.32%0.01622%0.218CC..Hα-helixtrans-61-42.4173.5179.360000111.4Y32 P35 V36 F39 I202 G208 V214 L215Y32-L211 HydrophobicContact CD1-CD2 4.07Å; P35-L211 HydrophobicContact CB-CD1 4.07Å; V36-L211 HydrophobicContact CG2-CB 3.87Å; V36-L211 HydrophobicContact CG2-CD1 4.09Å; F39-L211 HydrophobicContact CD2-CD1 3.82Å; F39-L211 HydrophobicContact CE2-CD1 4.06Å; I202-L211 HydrophobicContact CD1-CB 4.43Å; I202-L211 HydrophobicContact CD1-CD2 4.24Å; I202-L211 HydrophobicContact CD1-CG 4.22Å; G208-L211 PolarHBondContact O-N 2.84Å; G208-L211 VanDerWaalsContact O-N 3.16Å; L211-V214 PolarHBondContact O-N 3.28Å; L211-L215 HydrophobicContact CD1-CD1 4.02Å; L211-L215 HydrophobicContact CD1-CG 4.08Å; L211-L215 HydrophobicContact CG-CD1 3.86Å; L211-L215 HydrophobicContact CG-CG 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 VanDerWaalsContact O-CG 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 3.28Å
212L92.6Very high91Very high1 Ų146.6 Ų46.61%0.00521%0.211CC..Hα-helixtrans-59.2-50.6177.2-164.3162.5000110.8L199 I202 F205 G208 R209 H210 V214 L215 L216 T246 V265L199-L212 HydrophobicContact CD1-CG 4.03Å; I202-L212 HydrophobicContact CD1-CB 3.9Å; I202-L212 HydrophobicContact CD1-CG 4.37Å; F205-L212 HydrophobicContact CD2-CD1 4.17Å; F205-L212 HydrophobicContact CE2-CD1 4.15Å; G208-L212 WeakPolarHBondContact O-CB 3.41Å; G208-L212 PolarHBondContact O-N 3.49Å; R209-L212 WeakPolarHBondContact O-CB 3.49Å; R209-L212 PolarHBondContact O-N 2.87Å; H210-L212 VanDerWaalsContact C-N 3.31Å; H210-L212 PolarHBondContact O-N 3.1Å; L212-V214 PolarHBondContact O-N 3.19Å; L212-L215 PolarHBondContact O-N 3.26Å; L212-L216 HydrophobicContact CD2-CD1 3.38Å; L212-L216 HydrophobicContact CD2-CG 3.92Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 3.43Å; L212-T246 HydrophobicContact CD1-CG2 3.91Å; L212-T246 HydrophobicContact CD2-CG2 4.19Å; L212-T246 HydrophobicContact CG-CG2 4.14Å; L212-V265 HydrophobicContact CD1-CG1 4.36Å; L212-V265 HydrophobicContact CD2-CB 4.18Å; L212-V265 HydrophobicContact CD2-CG1 3.29Å; L212-V265 HydrophobicContact CD2-CG2 3.79Å; L212-V265 HydrophobicContact CG-CG1 4.48Å
213T91.1Very high91.2Very high51 Ų5146.1 Ų46.131%0.31321%0.208SC..Hα-helixtrans-59.1-44.6179.2-60.30000112.2R209 H210 L216 K217R209-T213 PolarHBondContact O-N 2.92Å; R209-T213 PolarHBondContact O-OG1 3.48Å; R209-T213 VanDerWaalsContact O-OG1 3.06Å; H210-T213 PolarHBondContact O-N 3.48Å; T213-L216 PolarHBondContact O-N 3.45Å; T213-K217 WeakPolarHBondContact O-CB 3.46Å; T213-K217 PolarHBondContact O-N 3.25Å
214V93.4Very high91.5Very high8 Ų838 Ų385%0.04818%0.179CC..Hα-helixtrans-68.3-40.3179.8176.80000111.3V36 F39 E40 H210 L211 L212 K217 L218V36-V214 HydrophobicContact CG1-CG2 4.29Å; F39-V214 HydrophobicContact CB-CG1 3.49Å; F39-V214 VanDerWaalsContact CB-CG1 3.49Å; E40-V214 HydrophobicContact CB-CG1 4.48Å; E40-V214 HydrophobicContact CG-CB 4.39Å; E40-V214 HydrophobicContact CG-CG1 3.73Å; E40-V214 HydrophobicContact CG-CG2 3.67Å; H210-V214 WeakPolarHBondContact O-CG2 3.2Å; H210-V214 PolarHBondContact O-N 2.95Å; H210-V214 VanDerWaalsContact O-N 3.07Å; L211-V214 PolarHBondContact O-N 3.28Å; L212-V214 PolarHBondContact O-N 3.19Å; V214-K217 PolarHBondContact O-N 3.13Å; V214-L218 PolarHBondContact O-N 3.42Å
215L95Very high91.7Very high0 Ų035.6 Ų35.60%017%0.166CC..Hα-helixtrans-61.8-44.5175.4-76.5171.5000111.7F39 M195 R198 L199 L211 L212 L218 F219F39-L215 HydrophobicContact CD1-CD2 4.16Å; F39-L215 HydrophobicContact CD2-CD2 3.79Å; F39-L215 HydrophobicContact CD2-CG 4.37Å; F39-L215 HydrophobicContact CE1-CD2 4.06Å; F39-L215 HydrophobicContact CE2-CD2 3.67Å; F39-L215 HydrophobicContact CE2-CG 4.47Å; F39-L215 HydrophobicContact CG-CD2 4.05Å; F39-L215 HydrophobicContact CZ-CD2 3.82Å; M195-L215 HydrophobicContact CB-CD2 3.99Å; M195-L215 HydrophobicContact CG-CD2 3.87Å; R198-L215 HydrophobicContact CB-CD1 3.94Å; L199-L215 HydrophobicContact CB-CD1 4.26Å; L199-L215 HydrophobicContact CD1-CB 4.5Å; L199-L215 HydrophobicContact CD1-CD1 4.24Å; L211-L215 HydrophobicContact CD1-CD1 4.02Å; L211-L215 HydrophobicContact CD1-CG 4.08Å; L211-L215 HydrophobicContact CG-CD1 3.86Å; L211-L215 HydrophobicContact CG-CG 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 VanDerWaalsContact O-CG 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 3.28Å; L212-L215 PolarHBondContact O-N 3.26Å; L215-L218 PolarHBondContact O-N 3.23Å; L215-F219 WeakPolarHBondContact O-CD2 3.36Å; L215-F219 PolarHBondContact O-N 3.27Å
216L95.3Very high91.9Very high0 Ų039.5 Ų39.50%018%0.183CC..Hα-helixtrans-66.7-38.6177.2-68-177.2000112.3L199 L212 T213 L218 F219 S220 M243 V265 Q268 V269 I272L199-L216 HydrophobicContact CD2-CD2 4.37Å; L212-L216 HydrophobicContact CD2-CD1 3.38Å; L212-L216 HydrophobicContact CD2-CG 3.92Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 3.43Å; T213-L216 PolarHBondContact O-N 3.45Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.92Å; L216-F219 PolarHBondContact O-N 3.12Å; L216-S220 PolarHBondContact O-N 3.47Å; L216-M243 HydrophobicContact CD2-SD 4.47Å; L216-V265 HydrophobicContact CD1-CG1 3.87Å; L216-Q268 HydrophobicContact CB-CB 4.5Å; L216-Q268 HydrophobicContact CD1-CB 4.09Å; L216-V269 HydrophobicContact CD1-CG2 3.61Å; L216-V269 HydrophobicContact CD2-CG2 3.82Å; L216-V269 HydrophobicContact CG-CG2 4.4Å; L216-I272 HydrophobicContact CB-CD1 4.28Å; L216-I272 HydrophobicContact CD2-CD1 3.96Å
217K94.1Very high92.1Very high63 Ų6336.6 Ų36.627%0.27418%0.177SC..Hα-helixtrans-57.1-48.7171.3-175.3176.2-179.3177.30110.7E49 T213 V214 F219 S220 Y221E49-K217 VanDerWaalsContact CD-NZ 3.32Å; E49-K217 WeakPolarHBondContact OE1-CE 3.33Å; E49-K217 IonicContact OE1-NZ 3.53Å; E49-K217 PolarHBondContact OE1-NZ 3.03Å; E49-K217 IonicContact OE2-NZ 2.74Å; E49-K217 PolarHBondContact OE2-NZ 3.25Å; T213-K217 WeakPolarHBondContact O-CB 3.46Å; T213-K217 PolarHBondContact O-N 3.25Å; V214-K217 PolarHBondContact O-N 3.13Å; K217-F219 PolarHBondContact O-N 3.48Å; K217-S220 WeakPolarHBondContact O-CB 3.1Å; K217-S220 PolarHBondContact O-N 3.01Å; K217-S220 VanDerWaalsContact O-N 3.17Å; K217-S220 PolarHBondContact O-OG 3.5Å; K217-Y221 WeakPolarHBondContact CE-OH 3.32Å; K217-Y221 HydrophobicContact CG-CE2 4.21Å; K217-Y221 PolarHBondContact O-N 2.92Å
218L94.2Very high92.5Very high0 Ų030 Ų300%015%0.146CC..Hα-helixtrans-64.7-39.2177.3-174.355.4000112.5F39 L42 I46 M186 M195 V214 L215 L216 S220 Y221 C222F39-L218 HydrophobicContact CB-CD2 4.41Å; F39-L218 HydrophobicContact CD1-CD2 3.74Å; F39-L218 HydrophobicContact CG-CD2 4.49Å; L42-L218 HydrophobicContact CB-CD1 4.37Å; L42-L218 HydrophobicContact CB-CD2 4.15Å; L42-L218 HydrophobicContact CD1-CD2 4.2Å; I46-L218 HydrophobicContact CD1-CD1 3.4Å; M186-L218 HydrophobicContact CE-CD2 3.87Å; M186-L218 HydrophobicContact CE-CG 4.37Å; M195-L218 HydrophobicContact CE-CB 3.72Å; M195-L218 HydrophobicContact CE-CD2 3.83Å; M195-L218 HydrophobicContact CE-CG 3.57Å; M195-L218 HydrophobicContact CG-CD2 4.42Å; M195-L218 HydrophobicContact SD-CD2 3.65Å; M195-L218 HydrophobicContact SD-CG 3.88Å; V214-L218 PolarHBondContact O-N 3.42Å; L215-L218 PolarHBondContact O-N 3.23Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.92Å; L218-S220 VanDerWaalsContact C-N 3.3Å; L218-S220 PolarHBondContact O-N 3.31Å; L218-Y221 HydrophobicContact CD1-CD2 4.49Å; L218-Y221 PolarHBondContact O-N 2.86Å; L218-C222 PolarHBondContact O-N 2.83Å; L218-C222 PolarHBondContact O-SG 3.43Å
219F96.2Very high92.7Very high0 Ų032 Ų320%015%0.153CC..Hα-helixtrans-61.2-39.7173.1-86.4-63.4000111.8L192 M195 L196 L199 L215 L216 K217 Y221 C222 V223 L232 M243 I272L192-F219 HydrophobicContact CD2-CE1 4.48Å; M195-F219 HydrophobicContact CB-CE1 4.22Å; M195-F219 HydrophobicContact CB-CE2 3.78Å; M195-F219 HydrophobicContact CB-CZ 3.48Å; M195-F219 VanDerWaalsContact CB-CZ 3.48Å; M195-F219 HydrophobicContact CE-CB 4.25Å; M195-F219 HydrophobicContact CE-CD1 3.7Å; M195-F219 HydrophobicContact CE-CD2 3.56Å; M195-F219 HydrophobicContact CE-CE1 3.85Å; M195-F219 HydrophobicContact CE-CE2 3.71Å; M195-F219 HydrophobicContact CE-CG 3.54Å; M195-F219 HydrophobicContact CE-CZ 3.84Å; L196-F219 HydrophobicContact CD2-CE1 4.18Å; L196-F219 HydrophobicContact CD2-CE2 4.5Å; L196-F219 HydrophobicContact CD2-CZ 3.66Å; L196-F219 HydrophobicContact CG-CE1 4.31Å; L196-F219 HydrophobicContact CG-CZ 3.85Å; L199-F219 HydrophobicContact CD2-CE2 4.03Å; L215-F219 WeakPolarHBondContact O-CD2 3.36Å; L215-F219 PolarHBondContact O-N 3.27Å; L216-F219 PolarHBondContact O-N 3.12Å; K217-F219 PolarHBondContact O-N 3.48Å; F219-Y221 PolarHBondContact O-N 3.2Å; F219-C222 PolarHBondContact O-N 2.91Å; F219-V223 WeakPolarHBondContact O-CG2 3.46Å; F219-V223 PolarHBondContact O-N 3.47Å; F219-L232 HydrophobicContact CE1-CD2 4.2Å; F219-M243 HydrophobicContact CD1-CE 4Å; F219-M243 HydrophobicContact CD2-CE 3.87Å; F219-M243 HydrophobicContact CE1-CE 4.04Å; F219-M243 HydrophobicContact CE2-CE 3.91Å; F219-M243 HydrophobicContact CG-CE 3.93Å; F219-M243 HydrophobicContact CZ-CE 4.01Å; F219-I272 HydrophobicContact CB-CD1 3.8Å; F219-I272 HydrophobicContact CB-CG2 4.42Å
220S94.5Very high92.7Very high43 Ų4330.8 Ų30.830%0.30115%0.153SC..Hα-helixtrans-60.9-34.1177.880.40000112.4L216 K217 L218 V223L216-S220 PolarHBondContact O-N 3.47Å; K217-S220 WeakPolarHBondContact O-CB 3.1Å; K217-S220 PolarHBondContact O-N 3.01Å; K217-S220 VanDerWaalsContact O-N 3.17Å; K217-S220 PolarHBondContact O-OG 3.5Å; L218-S220 VanDerWaalsContact C-N 3.3Å; L218-S220 PolarHBondContact O-N 3.31Å; S220-V223 WeakPolarHBondContact O-CG2 3.3Å
221Y94.1Very high92.7Very high18 Ų1827.4 Ų27.47%0.07114%0.137CC..Hα-helixtrans-73.5-41.8171.5-56.8-21.2000111.6C43 I46 Y180 K217 L218 F219 V223 K224C43-Y221 HydrophobicContact CB-CE2 3.85Å; I46-Y221 HydrophobicContact CB-CD2 4.38Å; I46-Y221 HydrophobicContact CG2-CD2 4.05Å; I46-Y221 HydrophobicContact CG2-CG 4.3Å; Y180-Y221 AromaticContact CD1-CD1 3.93Å; Y180-Y221 HydrophobicContact CD1-CD1 3.93Å; Y180-Y221 AromaticContact CD1-CG 3.97Å; Y180-Y221 HydrophobicContact CD1-CG 3.97Å; Y180-Y221 AromaticContact CE1-CD1 3.36Å; Y180-Y221 HydrophobicContact CE1-CD1 3.36Å; Y180-Y221 AromaticContact CE1-CE1 3.81Å; Y180-Y221 HydrophobicContact CE1-CE1 3.81Å; Y180-Y221 AromaticContact CE1-CG 3.85Å; Y180-Y221 HydrophobicContact CE1-CG 3.85Å; K217-Y221 WeakPolarHBondContact CE-OH 3.32Å; K217-Y221 HydrophobicContact CG-CE2 4.21Å; K217-Y221 PolarHBondContact O-N 2.92Å; L218-Y221 HydrophobicContact CD1-CD2 4.49Å; L218-Y221 PolarHBondContact O-N 2.86Å; F219-Y221 PolarHBondContact O-N 3.2Å; Y221-V223 PolarHBondContact O-N 3.03Å; Y221-K224 PolarHBondContact O-N 3.44Å
222C94.2Very high92.6Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-62.1-42.2-178.3-67.60000112.4L192 L218 F219 K224 V225 N228L192-C222 HydrophobicContact CD2-CB 3.98Å; L218-C222 PolarHBondContact O-N 2.83Å; L218-C222 PolarHBondContact O-SG 3.43Å; F219-C222 PolarHBondContact O-N 2.91Å; C222-K224 PolarHBondContact O-N 3.29Å; C222-V225 PolarHBondContact O-N 2.94Å; C222-N228 HydrophobicContact CB-CB 4.41Å; C222-N228 WeakPolarHBondContact O-CB 3.47Å; C222-N228 PolarHBondContact O-ND2 2.7Å; C222-N228 VanDerWaalsContact O-ND2 3.08Å
223V94.1Very high92.4Very high2 Ų227.9 Ų27.91%0.01214%0.14CC..THydrogen-bonded Turntrans-70.3-15.7-177.9-63.40000113.9F219 S220 Y221 V225 R229 L232 I272 I275 I276F219-V223 WeakPolarHBondContact O-CG2 3.46Å; F219-V223 PolarHBondContact O-N 3.47Å; S220-V223 WeakPolarHBondContact O-CG2 3.3Å; Y221-V223 PolarHBondContact O-N 3.03Å; V223-V225 PolarHBondContact O-N 3.2Å; V223-R229 HydrophobicContact CB-CG 4.46Å; V223-R229 WeakPolarHBondContact O-CD 3.26Å; V223-R229 WeakPolarHBondContact O-CG 3.44Å; V223-R229 PolarHBondContact O-NH1 3.09Å; V223-L232 HydrophobicContact CG1-CD1 3.99Å; V223-I272 HydrophobicContact CG1-CG2 4.01Å; V223-I275 HydrophobicContact CB-CG2 4.02Å; V223-I275 HydrophobicContact CG2-CD1 3.78Å; V223-I275 HydrophobicContact CG2-CG2 4.38Å; V223-I276 HydrophobicContact CG1-CD1 4.04Å; V223-I276 HydrophobicContact CG1-CG1 3.92Å
224K91.8Very high92Very high51 Ų5129.8 Ų29.822%0.22214%0.144CC..THydrogen-bonded Turntrans-68.6-23.5172.4-67.9-175.4174.5-155.10112.8E176 Y180 Y221 C222 R229E176-K224 HydrophobicContact CB-CD 4.44Å; E176-K224 WeakPolarHBondContact OE1-CE 3.26Å; E176-K224 IonicContact OE1-NZ 3.63Å; E176-K224 PolarHBondContact OE1-NZ 2.95Å; E176-K224 IonicContact OE2-NZ 3.32Å; Y180-K224 HydrophobicContact CD1-CD 4.37Å; Y180-K224 HydrophobicContact CD2-CB 4.14Å; Y180-K224 HydrophobicContact CD2-CD 3.28Å; Y180-K224 HydrophobicContact CD2-CG 4.33Å; Y180-K224 HydrophobicContact CE1-CD 4.32Å; Y180-K224 HydrophobicContact CE2-CD 3.23Å; Y180-K224 VanDerWaalsContact CE2-NZ 3.29Å; Y180-K224 HydrophobicContact CG-CB 4.26Å; Y180-K224 HydrophobicContact CG-CD 3.87Å; Y180-K224 PolarHBondContact OH-NZ 2.95Å; Y221-K224 PolarHBondContact O-N 3.44Å; C222-K224 PolarHBondContact O-N 3.29Å; K224-R229 VanDerWaalsContact C-NH1 3.31Å; K224-R229 PolarHBondContact O-NH1 2.72Å
225V91.9Very high91.3Very high8 Ų833.7 Ų33.75%0.04816%0.164CC..SBendtrans-96.9130.4179.1-177.20000111.8Y180 A183 C222 V223 V227 N228 R229Y180-V225 WeakPolarHBondContact O-CG2 3.35Å; A183-V225 HydrophobicContact CB-CG2 4.08Å; C222-V225 PolarHBondContact O-N 2.94Å; V223-V225 PolarHBondContact O-N 3.2Å; V225-V227 PolarHBondContact O-N 2.94Å; V225-N228 PolarHBondContact O-N 3.1Å; V225-R229 PolarHBondContact O-N 3.1Å
226K90.1Very high90.7Very high90 Ų9042.7 Ų42.739%0.39121%0.206SC..Hα-helixtrans-61.9-42.2-173.2-172.7174.3-177.9173.60114E177 N228 R229 Q230E177-K226 WeakPolarHBondContact OE1-CB 3.34Å; E177-K226 PolarHBondContact OE1-N 3.15Å; K226-N228 PolarHBondContact O-N 2.76Å; K226-R229 PolarHBondContact O-N 3.07Å; K226-R229 VanDerWaalsContact O-N 3.11Å; K226-Q230 HydrophobicContact CG-CG 4.45Å; K226-Q230 WeakPolarHBondContact O-CG 3.45Å; K226-Q230 PolarHBondContact O-N 3.27Å
227V90.2Very high90.1Very high75 Ų7543.6 Ų43.646%0.45521%0.211SC..Hα-helixtrans-57.8-38.3-179.7175.60000111.7A187 V225 Q231A187-V227 HydrophobicContact CB-CG1 4.05Å; V225-V227 PolarHBondContact O-N 2.94Å; V227-Q231 PolarHBondContact O-N 2.81Å
228N93.1Very high89.7Confident0 Ų044.4 Ų44.40%022%0.218CC..Hα-helixtrans-71.2-42177.4-69.4-24.9000111.7A183 A187 L192 C222 V225 K226 Q230 Q231 L232A183-N228 VanDerWaalsContact C-ND2 3.31Å; A183-N228 PolarHBondContact O-ND2 3.04Å; A183-N228 PolarHBondContact O-OD1 3.29Å; A187-N228 VanDerWaalsContact CB-OD1 3.23Å; A187-N228 WeakPolarHBondContact CB-OD1 3.14Å; A187-N228 PolarHBondContact N-OD1 3Å; L192-N228 HydrophobicContact CD1-CB 4.12Å; C222-N228 HydrophobicContact CB-CB 4.41Å; C222-N228 WeakPolarHBondContact O-CB 3.47Å; C222-N228 PolarHBondContact O-ND2 2.7Å; C222-N228 VanDerWaalsContact O-ND2 3.08Å; V225-N228 PolarHBondContact O-N 3.1Å; K226-N228 PolarHBondContact O-N 2.76Å; N228-Q230 VanDerWaalsContact C-N 3.32Å; N228-Q230 PolarHBondContact O-N 3.11Å; N228-Q231 PolarHBondContact O-N 3.01Å; N228-L232 WeakPolarHBondContact O-CG 3.34Å; N228-L232 PolarHBondContact O-N 3.03Å
229R91.6Very high89.5Confident40 Ų4044.5 Ų44.515%0.15122%0.218CC..Hα-helixtrans-57.4-46.6175.2-64-165.6-66-85.14.5111.1V223 K224 V225 K226 Q231 L232 V233 I275 E279V223-R229 HydrophobicContact CB-CG 4.46Å; V223-R229 WeakPolarHBondContact O-CD 3.26Å; V223-R229 WeakPolarHBondContact O-CG 3.44Å; V223-R229 PolarHBondContact O-NH1 3.09Å; K224-R229 VanDerWaalsContact C-NH1 3.31Å; K224-R229 PolarHBondContact O-NH1 2.72Å; V225-R229 PolarHBondContact O-N 3.1Å; K226-R229 PolarHBondContact O-N 3.07Å; K226-R229 VanDerWaalsContact O-N 3.11Å; R229-Q231 VanDerWaalsContact C-N 3.29Å; R229-Q231 PolarHBondContact O-N 3.12Å; R229-L232 PolarHBondContact O-N 3.15Å; R229-L232 VanDerWaalsContact O-N 3.15Å; R229-V233 WeakPolarHBondContact O-CG2 3.16Å; R229-V233 PolarHBondContact O-N 2.94Å; R229-V233 VanDerWaalsContact O-N 3.14Å; R229-I275 HydrophobicContact CG-CG2 4.42Å; R229-E279 HydrophobicContact CB-CB 4.23Å; R229-E279 HydrophobicContact CB-CG 3.85Å; R229-E279 IonicContact CZ-OE2 2.64Å; R229-E279 IonicContact NE-OE2 3.24Å; R229-E279 PolarHBondContact NE-OE2 3.42Å; R229-E279 IonicContact NH2-OE2 3.85Å
230Q88.3Confident89Confident88 Ų8844.9 Ų44.941%0.41122%0.221SC..Hα-helixtrans-61.6-34.1177.7-69.6-177-20.200113.3K226 N228K226-Q230 HydrophobicContact CG-CG 4.45Å; K226-Q230 WeakPolarHBondContact O-CG 3.45Å; K226-Q230 PolarHBondContact O-N 3.27Å; N228-Q230 VanDerWaalsContact C-N 3.32Å; N228-Q230 PolarHBondContact O-N 3.11Å
231Q88.9Confident88.6Confident35 Ų3545.4 Ų45.416%0.16422%0.22CC..Hα-helixtrans-69.8-46173.3-176.266.64.200111.1A187 L192 E193 V227 N228 R229 V233 K234 M237A187-Q231 HydrophobicContact CB-CB 4.17Å; A187-Q231 HydrophobicContact CB-CG 4.38Å; L192-Q231 HydrophobicContact CD1-CB 3.97Å; L192-Q231 HydrophobicContact CD1-CG 3.92Å; E193-Q231 PolarHBondContact OE1-NE2 3.14Å; V227-Q231 PolarHBondContact O-N 2.81Å; N228-Q231 PolarHBondContact O-N 3.01Å; R229-Q231 VanDerWaalsContact C-N 3.29Å; R229-Q231 PolarHBondContact O-N 3.12Å; Q231-V233 PolarHBondContact O-N 3.47Å; Q231-K234 WeakPolarHBondContact O-CB 3.4Å; Q231-K234 WeakPolarHBondContact O-CG 3.39Å; Q231-K234 PolarHBondContact O-N 3.42Å; Q231-K234 VanDerWaalsContact O-N 3.15Å; Q231-K234 VanDerWaalsContact OE1-CE 3.27Å; Q231-M237 HydrophobicContact CG-CE 4.14Å; Q231-M237 HydrophobicContact CG-SD 4.29Å; Q231-M237 VanDerWaalsContact O-CG 3.29Å; Q231-M237 WeakPolarHBondContact O-CG 3.11Å
232L90.4Very high88.4Confident0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-64.5-23.8-177.1-71.8168.6000114.2L192 L196 F219 V223 N228 R229 K234 T239 I276L192-L232 HydrophobicContact CB-CD2 4.25Å; L192-L232 HydrophobicContact CD1-CD2 4.33Å; L192-L232 HydrophobicContact CD1-CG 4.15Å; L192-L232 HydrophobicContact CD2-CD2 4.38Å; L196-L232 HydrophobicContact CD1-CD2 4.16Å; F219-L232 HydrophobicContact CE1-CD2 4.2Å; V223-L232 HydrophobicContact CG1-CD1 3.99Å; N228-L232 WeakPolarHBondContact O-CG 3.34Å; N228-L232 PolarHBondContact O-N 3.03Å; R229-L232 PolarHBondContact O-N 3.15Å; R229-L232 VanDerWaalsContact O-N 3.15Å; L232-K234 VanDerWaalsContact C-N 3.32Å; L232-T239 HydrophobicContact CB-CG2 4.33Å; L232-T239 HydrophobicContact CD2-CG2 4.01Å; L232-T239 WeakPolarHBondContact O-CB 3.47Å; L232-T239 PolarHBondContact O-OG1 3.25Å; L232-I276 HydrophobicContact CB-CD1 4.39Å; L232-I276 HydrophobicContact CB-CG2 4.4Å; L232-I276 HydrophobicContact CD1-CD1 3.95Å; L232-I276 HydrophobicContact CD1-CG1 4.28Å
233V87.1Confident88.3Confident13 Ų1345.4 Ų45.48%0.07922%0.222CC..THydrogen-bonded Turntrans-74.5-19.1177172.20000112.8R229 Q231 L235 I276 E279R229-V233 WeakPolarHBondContact O-CG2 3.16Å; R229-V233 PolarHBondContact O-N 2.94Å; R229-V233 VanDerWaalsContact O-N 3.14Å; Q231-V233 PolarHBondContact O-N 3.47Å; V233-L235 PolarHBondContact O-N 3Å; V233-I276 HydrophobicContact CG2-CG2 4.14Å; V233-E279 HydrophobicContact CG2-CB 4.35Å; V233-E279 HydrophobicContact CG2-CG 4.35Å
234K84.5Confident88Confident91 Ų9145.5 Ų45.540%0.39622%0.222SC..SBendtrans-64.6132.3-179.2-65.2177.8-179.8174.70111.3Q231 L232 E236 M237Q231-K234 WeakPolarHBondContact O-CB 3.4Å; Q231-K234 WeakPolarHBondContact O-CG 3.39Å; Q231-K234 PolarHBondContact O-N 3.42Å; Q231-K234 VanDerWaalsContact O-N 3.15Å; Q231-K234 VanDerWaalsContact OE1-CE 3.27Å; L232-K234 VanDerWaalsContact C-N 3.32Å; K234-E236 PolarHBondContact O-N 3.03Å; K234-E236 VanDerWaalsContact O-N 3.17Å; K234-M237 HydrophobicContact CB-CG 4.09Å; K234-M237 VanDerWaalsContact O-CB 3.32Å; K234-M237 WeakPolarHBondContact O-CB 3.29Å; K234-M237 PolarHBondContact O-N 3.05Å
235L77.4Confident87.8Confident90 Ų9045.1 Ų45.147%0.47123%0.232SC..G310 helixtrans-56-35.1-179.3-68.3-178.3000113.6V233 M237 N238 N291 L294V233-L235 PolarHBondContact O-N 3Å; L235-M237 PolarHBondContact O-N 3.42Å; L235-M237 VanDerWaalsContact O-N 3.15Å; L235-N238 PolarHBondContact O-N 3.44Å; L235-N291 HydrophobicContact CD1-CB 4.26Å; L235-N291 WeakPolarHBondContact CD1-O 3.26Å; L235-N291 WeakPolarHBondContact CG-O 3.46Å; L235-L294 HydrophobicContact CD2-CD2 4.15Å
236E81.9Confident87.7Confident189 Ų18945 Ų4588%0.88323%0.232SC*.G310 helixtrans-59.5-24.2178.6-63174.5-174.200113.1K234 N238K234-E236 PolarHBondContact O-N 3.03Å; K234-E236 VanDerWaalsContact O-N 3.17Å; E236-N238 VanDerWaalsContact C-N 3.32Å
237M84.2Confident87.7Confident19 Ų1940.8 Ų40.89%0.09421%0.213CC..G310 helixtrans-76-20.8178.6-58.2-65.5-70.500112.7L192 E193 L196 Q231 K234 L235 T239L192-M237 HydrophobicContact CB-CE 3.82Å; E193-M237 HydrophobicContact CB-CE 4.47Å; E193-M237 VanDerWaalsContact CD-CE 3.49Å; E193-M237 HydrophobicContact CG-CE 3.62Å; E193-M237 HydrophobicContact CG-SD 3.71Å; E193-M237 VanDerWaalsContact OE1-SD 3.35Å; L196-M237 HydrophobicContact CD1-CB 4.09Å; L196-M237 HydrophobicContact CD1-CE 3.93Å; L196-M237 WeakPolarHBondContact CD1-O 3.43Å; Q231-M237 HydrophobicContact CG-CE 4.14Å; Q231-M237 HydrophobicContact CG-SD 4.29Å; Q231-M237 VanDerWaalsContact O-CG 3.29Å; Q231-M237 WeakPolarHBondContact O-CG 3.11Å; K234-M237 HydrophobicContact CB-CG 4.09Å; K234-M237 VanDerWaalsContact O-CB 3.32Å; K234-M237 WeakPolarHBondContact O-CB 3.29Å; K234-M237 PolarHBondContact O-N 3.05Å; L235-M237 PolarHBondContact O-N 3.42Å; L235-M237 VanDerWaalsContact O-N 3.15Å; M237-T239 VanDerWaalsContact CB-OG1 3.29Å; M237-T239 WeakPolarHBondContact CB-OG1 3.18Å; M237-T239 PolarHBondContact O-N 2.72Å
238N85.5Confident87.5Confident80 Ų8040 Ų4043%0.42821%0.207SC..  trans52.326.3-175.7-162.737.5000114L235 E236 L240 N241 V242L235-N238 PolarHBondContact O-N 3.44Å; E236-N238 VanDerWaalsContact C-N 3.32Å; N238-L240 PolarHBondContact O-N 3.07Å; N238-N241 PolarHBondContact O-N 2.96Å; N238-N241 WeakPolarHBondContact OD1-CB 3.23Å; N238-N241 PolarHBondContact OD1-ND2 3.38Å; N238-V242 WeakPolarHBondContact O-CG2 3.45Å; N238-V242 PolarHBondContact O-N 2.96Å
239T89.1Confident87.3Confident2 Ų241.8 Ų41.81%0.01222%0.216CC..Hα-helixtrans-54.4-47.9-169.7-53.50000112.6L196 L232 M237 N241 V242 M243 I276L196-T239 HydrophobicContact CD1-CG2 4.49Å; L196-T239 HydrophobicContact CD2-CG2 4.15Å; L232-T239 HydrophobicContact CB-CG2 4.33Å; L232-T239 HydrophobicContact CD2-CG2 4.01Å; L232-T239 WeakPolarHBondContact O-CB 3.47Å; L232-T239 PolarHBondContact O-OG1 3.25Å; M237-T239 VanDerWaalsContact CB-OG1 3.29Å; M237-T239 WeakPolarHBondContact CB-OG1 3.18Å; M237-T239 PolarHBondContact O-N 2.72Å; T239-N241 PolarHBondContact O-N 3.08Å; T239-V242 PolarHBondContact O-N 2.93Å; T239-M243 HydrophobicContact CG2-CG 4.34Å; T239-M243 VanDerWaalsContact O-CG 3.31Å; T239-M243 WeakPolarHBondContact O-CG 3.49Å; T239-M243 PolarHBondContact O-N 2.84Å; T239-I276 HydrophobicContact CG2-CD1 3.98Å
240L86.4Confident87.2Confident9 Ų939.9 Ų39.95%0.04721%0.209CC..Hα-helixtrans-62-45.4-175.4179.660.4000112.1N238 V242 M243 L244 M273 L277 L294 G296 L330N238-L240 PolarHBondContact O-N 3.07Å; L240-V242 VanDerWaalsContact C-N 3.34Å; L240-V242 PolarHBondContact O-N 3.3Å; L240-M243 PolarHBondContact O-N 2.89Å; L240-L244 HydrophobicContact CD1-CD1 3.97Å; L240-L244 HydrophobicContact CD1-CG 4.1Å; L240-L244 HydrophobicContact CG-CD1 3.88Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 2.9Å; L240-L244 VanDerWaalsContact O-CG 3.29Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3.19Å; L240-M273 HydrophobicContact CD1-CE 3.42Å; L240-M273 VanDerWaalsContact CD1-CE 3.42Å; L240-L277 HydrophobicContact CD1-CD1 4.49Å; L240-L277 HydrophobicContact CD1-CD2 4.29Å; L240-L277 HydrophobicContact CD2-CD2 4.46Å; L240-L294 HydrophobicContact CB-CB 4.48Å; L240-L294 HydrophobicContact CB-CD2 4.24Å; L240-L294 HydrophobicContact CD2-CB 4.03Å; L240-L294 WeakPolarHBondContact CD2-O 3.35Å; L240-G296 VanDerWaalsContact CD2-N 3.34Å; L240-L330 HydrophobicContact CD1-CD2 3.91Å; L240-L330 HydrophobicContact CD2-CD2 3.72Å; L240-L330 HydrophobicContact CG-CD2 4.33Å
241N85.5Confident87Confident54 Ų5435.7 Ų35.729%0.28919%0.19SC..Hα-helixtrans-66-37.7180-73.9-38.4000112.1N238 T239 G245 Q300N238-N241 PolarHBondContact O-N 2.96Å; N238-N241 WeakPolarHBondContact OD1-CB 3.23Å; N238-N241 PolarHBondContact OD1-ND2 3.38Å; T239-N241 PolarHBondContact O-N 3.08Å; N241-G245 PolarHBondContact O-N 3.21Å; N241-Q300 PolarHBondContact OD1-NE2 3.48Å; N241-Q300 PolarHBondContact OD1-OE1 2.9Å
242V90.3Very high86.9Confident17 Ų1736.6 Ų36.610%0.10320%0.197CC..Hα-helixtrans-64-49.7175.1176.30000110.2L196 L199 A200 N238 T239 L240 L244 G245 T246L196-V242 HydrophobicContact CD2-CB 4.2Å; L196-V242 HydrophobicContact CD2-CG1 4.09Å; L199-V242 HydrophobicContact CB-CG1 4.06Å; L199-V242 HydrophobicContact CD2-CG1 4.03Å; L199-V242 HydrophobicContact CG-CG1 4.15Å; A200-V242 HydrophobicContact CB-CG1 4.07Å; A200-V242 HydrophobicContact CB-CG2 4.1Å; N238-V242 WeakPolarHBondContact O-CG2 3.45Å; N238-V242 PolarHBondContact O-N 2.96Å; T239-V242 PolarHBondContact O-N 2.93Å; L240-V242 VanDerWaalsContact C-N 3.34Å; L240-V242 PolarHBondContact O-N 3.3Å; V242-L244 PolarHBondContact O-N 2.92Å; V242-G245 PolarHBondContact O-N 3.19Å; V242-G245 VanDerWaalsContact O-N 3.17Å; V242-T246 PolarHBondContact O-N 3.19Å; V242-T246 PolarHBondContact O-OG1 3.33Å
243M91.9Very high86.6Confident0 Ų036.8 Ų36.80%020%0.199CC..Hα-helixtrans-62.9-40.9179.6-66.5-65.5-178.100112.2L196 L199 L216 F219 T239 L240 T246 L247 V269 I272 M273L196-M243 HydrophobicContact CD2-CE 4.26Å; L199-M243 HydrophobicContact CD2-CE 4.27Å; L199-M243 HydrophobicContact CD2-SD 3.89Å; L216-M243 HydrophobicContact CD2-SD 4.47Å; F219-M243 HydrophobicContact CD1-CE 4Å; F219-M243 HydrophobicContact CD2-CE 3.87Å; F219-M243 HydrophobicContact CE1-CE 4.04Å; F219-M243 HydrophobicContact CE2-CE 3.91Å; F219-M243 HydrophobicContact CG-CE 3.93Å; F219-M243 HydrophobicContact CZ-CE 4.01Å; T239-M243 HydrophobicContact CG2-CG 4.34Å; T239-M243 VanDerWaalsContact O-CG 3.31Å; T239-M243 WeakPolarHBondContact O-CG 3.49Å; T239-M243 PolarHBondContact O-N 2.84Å; L240-M243 PolarHBondContact O-N 2.89Å; M243-T246 PolarHBondContact O-N 3.21Å; M243-L247 WeakPolarHBondContact O-CB 3.37Å; M243-L247 PolarHBondContact O-N 2.98Å; M243-V269 HydrophobicContact CB-CG1 4.15Å; M243-V269 WeakPolarHBondContact O-CG1 2.98Å; M243-V269 HydrophobicContact SD-CG1 4.5Å; M243-I272 HydrophobicContact CE-CG2 3.91Å; M243-M273 HydrophobicContact CB-CG 3.62Å; M243-M273 HydrophobicContact CB-SD 3.58Å; M243-M273 VanDerWaalsContact CB-SD 3.58Å; M243-M273 HydrophobicContact CG-CG 4.11Å
244L87.1Confident86.4Confident5 Ų537 Ų373%0.02620%0.199CC..Hα-helixtrans-64.5-38.3173.9-74.8173.7000112.5L240 V242 L247 N248 M273 Q300 L304L240-L244 HydrophobicContact CD1-CD1 3.97Å; L240-L244 HydrophobicContact CD1-CG 4.1Å; L240-L244 HydrophobicContact CG-CD1 3.88Å; L240-L244 HydrophobicContact CG-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 2.9Å; L240-L244 VanDerWaalsContact O-CG 3.29Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3.19Å; V242-L244 PolarHBondContact O-N 2.92Å; L244-L247 HydrophobicContact CD2-CD2 4.39Å; L244-L247 PolarHBondContact O-N 3.1Å; L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 2.94Å; L244-M273 HydrophobicContact CD2-CE 3.65Å; L244-M273 HydrophobicContact CD2-SD 4.33Å; L244-M273 HydrophobicContact CG-CE 3.92Å; L244-Q300 HydrophobicContact CD1-CB 4.29Å; L244-Q300 HydrophobicContact CD1-CG 4.5Å; L244-L304 HydrophobicContact CD2-CD1 3.82Å
245G88.1Confident86.1Confident42 Ų4237.5 Ų37.543%0.43320%0.203SC..Hα-helixtrans-61.7-44.1172.700000112.1N241 V242 N248 L249N241-G245 PolarHBondContact O-N 3.21Å; V242-G245 PolarHBondContact O-N 3.19Å; V242-G245 VanDerWaalsContact O-N 3.17Å; G245-N248 PolarHBondContact O-N 3.37Å; G245-L249 WeakPolarHBondContact O-CB 3.45Å; G245-L249 PolarHBondContact O-N 2.95Å
246T90.8Very high86.2Confident6 Ų640 Ų404%0.03721%0.212CC..Hα-helixtrans-64.1-42.9174.9-53.10000112L199 L212 V242 M243 L249 A250 V269L199-T246 HydrophobicContact CD1-CG2 3.98Å; L199-T246 HydrophobicContact CD2-CG2 4.47Å; L199-T246 HydrophobicContact CG-CG2 4.33Å; L199-T246 WeakPolarHBondContact CG-OG1 3.22Å; L212-T246 HydrophobicContact CD1-CG2 3.91Å; L212-T246 HydrophobicContact CD2-CG2 4.19Å; L212-T246 HydrophobicContact CG-CG2 4.14Å; V242-T246 PolarHBondContact O-N 3.19Å; V242-T246 PolarHBondContact O-OG1 3.33Å; M243-T246 PolarHBondContact O-N 3.21Å; T246-L249 PolarHBondContact O-N 2.73Å; T246-A250 PolarHBondContact O-N 2.76Å; T246-V269 HydrophobicContact CG2-CG2 3.96Å
247L90.1Very high86.1Confident1 Ų133 Ų331%0.00518%0.184CC..Hα-helixtrans-59.2-49.6175179.361.8000110.3M243 L244 L249 A250 L251 A266 V269 L270 L304 L323M243-L247 WeakPolarHBondContact O-CB 3.37Å; M243-L247 PolarHBondContact O-N 2.98Å; L244-L247 HydrophobicContact CD2-CD2 4.39Å; L244-L247 PolarHBondContact O-N 3.1Å; L247-L249 VanDerWaalsContact C-N 3.31Å; L247-L249 PolarHBondContact O-N 2.78Å; L247-A250 PolarHBondContact O-N 3.05Å; L247-A250 VanDerWaalsContact O-N 3.13Å; L247-L251 HydrophobicContact CD1-CD1 4.43Å; L247-L251 HydrophobicContact CD1-CD2 4.47Å; L247-L251 HydrophobicContact CD1-CG 4.23Å; L247-L251 HydrophobicContact CG-CD1 4.15Å; L247-L251 HydrophobicContact CG-CG 4.33Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.19Å; L247-A266 HydrophobicContact CD1-CB 3.69Å; L247-V269 HydrophobicContact CB-CG1 3.99Å; L247-L270 HydrophobicContact CD1-CD1 4.4Å; L247-L270 HydrophobicContact CD1-CD2 4.31Å; L247-L270 HydrophobicContact CD1-CG 4.11Å; L247-L270 HydrophobicContact CD2-CD2 3.72Å; L247-L270 HydrophobicContact CD2-CG 4.4Å; L247-L304 HydrophobicContact CD2-CD2 4.05Å; L247-L323 HydrophobicContact CD2-CD2 4.14Å
248N86.3Confident85.4Confident60 Ų6040.8 Ų40.832%0.32122%0.217SC..Hα-helixtrans-60.2-41.4178.5-171.546.5000111.9L244 G245 A250 L251 V252 M303L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 2.94Å; G245-N248 PolarHBondContact O-N 3.37Å; N248-A250 VanDerWaalsContact C-N 3.33Å; N248-A250 PolarHBondContact O-N 3.21Å; N248-L251 PolarHBondContact O-N 3.15Å; N248-V252 WeakPolarHBondContact O-CB 3.35Å; N248-V252 VanDerWaalsContact O-CG2 3.28Å; N248-V252 WeakPolarHBondContact O-CG2 3.47Å; N248-V252 PolarHBondContact O-N 3.2Å; N248-M303 HydrophobicContact CB-CE 4.43Å
249L88.4Confident84.8Confident37 Ų3744 Ų4419%0.19424%0.235CC..Hα-helixtrans-60-42.7175.1-176.466.1000112I202 F205 G245 T246 L247 A253I202-L249 HydrophobicContact CG2-CD2 4.03Å; F205-L249 HydrophobicContact CB-CD1 4.21Å; F205-L249 HydrophobicContact CB-CD2 4.31Å; F205-L249 HydrophobicContact CB-CG 3.99Å; F205-L249 HydrophobicContact CD2-CD2 4.42Å; F205-L249 HydrophobicContact CD2-CG 4.15Å; G245-L249 WeakPolarHBondContact O-CB 3.45Å; G245-L249 PolarHBondContact O-N 2.95Å; T246-L249 PolarHBondContact O-N 2.73Å; L247-L249 VanDerWaalsContact C-N 3.31Å; L247-L249 PolarHBondContact O-N 2.78Å; L249-A253 WeakPolarHBondContact O-CB 2.96Å; L249-A253 PolarHBondContact O-N 3.35Å
250A89.1Confident84.2Confident0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-67.6-41176.900000112.5F205 T246 L247 N248 E254 V265 A266F205-A250 HydrophobicContact CD2-CB 4.47Å; F205-A250 HydrophobicContact CE2-CB 3.89Å; T246-A250 PolarHBondContact O-N 2.76Å; L247-A250 PolarHBondContact O-N 3.05Å; L247-A250 VanDerWaalsContact O-N 3.13Å; N248-A250 VanDerWaalsContact C-N 3.33Å; N248-A250 PolarHBondContact O-N 3.21Å; A250-E254 WeakPolarHBondContact O-CB 3.19Å; A250-E254 PolarHBondContact O-N 2.57Å; A250-V265 HydrophobicContact CB-CB 4.14Å; A250-V265 HydrophobicContact CB-CG1 3.7Å; A250-A266 HydrophobicContact CB-CB 4.38Å
251L85.1Confident84Confident0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-63.7-43.7176.4-66.7-179.4000111.6L247 N248 Q255 A266 Q307 F312 V313 V319L247-L251 HydrophobicContact CD1-CD1 4.43Å; L247-L251 HydrophobicContact CD1-CD2 4.47Å; L247-L251 HydrophobicContact CD1-CG 4.23Å; L247-L251 HydrophobicContact CG-CD1 4.15Å; L247-L251 HydrophobicContact CG-CG 4.33Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.19Å; N248-L251 PolarHBondContact O-N 3.15Å; L251-Q255 VanDerWaalsContact O-CG 3.3Å; L251-Q255 WeakPolarHBondContact O-CG 3.2Å; L251-Q255 PolarHBondContact O-N 3.33Å; L251-Q255 VanDerWaalsContact O-N 3.11Å; L251-A266 HydrophobicContact CD2-CB 4.35Å; L251-Q307 HydrophobicContact CD1-CB 4.47Å; L251-Q307 HydrophobicContact CD1-CG 4.03Å; L251-F312 HydrophobicContact CD2-CD1 3.75Å; L251-F312 HydrophobicContact CD2-CE1 3.43Å; L251-F312 VanDerWaalsContact CD2-CE1 3.43Å; L251-V313 HydrophobicContact CD2-CG2 4.24Å; L251-V319 HydrophobicContact CD2-CG1 4.27Å
252V85.1Confident84Confident53 Ų5342.2 Ų42.232%0.32123%0.23SC..Hα-helixtrans-66.2-45.6178.2171.80000111.1N248 E254 Q255 E256N248-V252 WeakPolarHBondContact O-CB 3.35Å; N248-V252 VanDerWaalsContact O-CG2 3.28Å; N248-V252 WeakPolarHBondContact O-CG2 3.47Å; N248-V252 PolarHBondContact O-N 3.2Å; V252-E254 PolarHBondContact O-N 2.71Å; V252-Q255 WeakPolarHBondContact O-CB 3.47Å; V252-Q255 PolarHBondContact O-N 3.4Å; V252-Q255 VanDerWaalsContact O-N 3.16Å; V252-E256 PolarHBondContact O-N 3.3Å; V252-E256 VanDerWaalsContact O-N 3.07Å
253A85Confident83.8Confident5 Ų542.4 Ų42.44%0.04123%0.233CC..Hα-helixtrans-59.7-36.4179.900000112.7F205 L249 E256 S257 S260F205-A253 HydrophobicContact CB-CB 3.7Å; F205-A253 HydrophobicContact CD1-CB 3.45Å; F205-A253 VanDerWaalsContact CD1-CB 3.45Å; F205-A253 HydrophobicContact CD2-CB 4.12Å; F205-A253 HydrophobicContact CE1-CB 4.09Å; F205-A253 HydrophobicContact CG-CB 3.47Å; F205-A253 VanDerWaalsContact CG-CB 3.47Å; L249-A253 WeakPolarHBondContact O-CB 2.96Å; L249-A253 PolarHBondContact O-N 3.35Å; A253-E256 PolarHBondContact O-N 3.06Å; A253-S257 PolarHBondContact O-N 3.34Å; A253-S260 PolarHBondContact O-OG 3.3Å
254E82.2Confident83.6Confident18 Ų1845.1 Ų45.18%0.08426%0.256CS..Hα-helixtrans-79.1-27.4-179.6-159.459.3-153.600112.6A250 V252 E256 S257 K258 S260 G261 G262 F312A250-E254 WeakPolarHBondContact O-CB 3.19Å; A250-E254 PolarHBondContact O-N 2.57Å; V252-E254 PolarHBondContact O-N 2.71Å; E254-E256 VanDerWaalsContact C-N 3.32Å; E254-S257 CarbonylContact O-C 3.59Å; E254-K258 VanDerWaalsContact OE1-C 3.24Å; E254-K258 WeakPolarHBondContact OE1-CA 3.14Å; E254-S260 PolarHBondContact OE2-OG 3.11Å; E254-G261 PolarHBondContact OE2-N 3.01Å; E254-G262 WeakPolarHBondContact OE2-CA 3.36Å; E254-G262 PolarHBondContact OE2-N 2.88Å; E254-F312 HydrophobicContact CB-CD2 4.09Å; E254-F312 HydrophobicContact CB-CE2 3.95Å; E254-F312 HydrophobicContact CB-CG 4.48Å; E254-F312 HydrophobicContact CB-CZ 4.19Å; E254-F312 HydrophobicContact CG-CD2 3.41Å; E254-F312 VanDerWaalsContact CG-CD2 3.41Å; E254-F312 HydrophobicContact CG-CE1 4.43Å; E254-F312 HydrophobicContact CG-CE2 3.05Å; E254-F312 HydrophobicContact CG-CG 4.25Å; E254-F312 HydrophobicContact CG-CZ 3.64Å
255Q78.4Confident83.8Confident101 Ų10145.1 Ų45.147%0.47226%0.256SS..Hα-helixtrans-66.4-34.6167.5-73.3174.41200111.9L251 V252 F312L251-Q255 VanDerWaalsContact O-CG 3.3Å; L251-Q255 WeakPolarHBondContact O-CG 3.2Å; L251-Q255 PolarHBondContact O-N 3.33Å; L251-Q255 VanDerWaalsContact O-N 3.11Å; V252-Q255 WeakPolarHBondContact O-CB 3.47Å; V252-Q255 PolarHBondContact O-N 3.4Å; V252-Q255 VanDerWaalsContact O-N 3.16Å; Q255-F312 HydrophobicContact CG-CB 4.3Å
256E80.7Confident83.9Confident142 Ų14243.1 Ų43.166%0.66424%0.235SC*.Hα-helixtrans-75.8-32.3175.9-68-179.2173.900113V252 A253 E254V252-E256 PolarHBondContact O-N 3.3Å; V252-E256 VanDerWaalsContact O-N 3.07Å; A253-E256 PolarHBondContact O-N 3.06Å; E254-E256 VanDerWaalsContact C-N 3.32Å
257S78.9Confident83.8Confident42 Ų4247.4 Ų47.429%0.29426%0.255SS..  trans-155.4121.6-177.5172.40000112.5A253 E254 D259 S260A253-S257 PolarHBondContact O-N 3.34Å; E254-S257 CarbonylContact O-C 3.59Å; S257-D259 PolarHBondContact O-N 3.01Å; S257-D259 VanDerWaalsContact O-N 3.17Å; S257-S260 VanDerWaalsContact O-CB 3.27Å; S257-S260 WeakPolarHBondContact O-CB 3.21Å; S257-S260 PolarHBondContact O-N 3.25Å; S257-S260 VanDerWaalsContact O-N 3.1Å
258K69.5Low83.9Confident182 Ų18251.1 Ų51.179%0.79127%0.272SS*.THydrogen-bonded Turntrans-66.4-13.2179.5-68.6-173.3175.7-174.60115.9E254E254-K258 VanDerWaalsContact OE1-C 3.24Å; E254-K258 WeakPolarHBondContact OE1-CA 3.14Å
259D72.8Confident84.2Confident149 Ų14948.2 Ų48.280%0.79726%0.257SS*.THydrogen-bonded Turntrans-107.316.6176.5-61.3-44.7000111.9S257 G261S257-D259 PolarHBondContact O-N 3.01Å; S257-D259 VanDerWaalsContact O-N 3.17Å; D259-G261 PolarHBondContact O-N 3.25Å
260S77.5Confident84.4Confident8 Ų846.6 Ų46.66%0.05625%0.248CC..SBendtrans-69.1-26.1-175.887.70000112.3F205 R209 A253 E254 S257 G262F205-S260 WeakPolarHBondContact CE1-O 3.3Å; R209-S260 VanDerWaalsContact CZ-O 3.28Å; R209-S260 PolarHBondContact NH1-O 3.08Å; A253-S260 PolarHBondContact O-OG 3.3Å; E254-S260 PolarHBondContact OE2-OG 3.11Å; S257-S260 VanDerWaalsContact O-CB 3.27Å; S257-S260 WeakPolarHBondContact O-CB 3.21Å; S257-S260 PolarHBondContact O-N 3.25Å; S257-S260 VanDerWaalsContact O-N 3.1Å; S260-G262 PolarHBondContact OG-N 3.13Å
261G82Confident84.5Confident18 Ų1849.7 Ų49.719%0.18627%0.27CS..SBendtrans84.612.2-173.200000113.2E254 D259 A263E254-G261 PolarHBondContact OE2-N 3.01Å; D259-G261 PolarHBondContact O-N 3.25Å; G261-A263 VanDerWaalsContact C-N 3.3Å; G261-A263 PolarHBondContact O-N 3.26Å
262G85.4Confident84.9Confident0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-65.1-30.6178.100000113E254 S260 V265 A266E254-G262 WeakPolarHBondContact OE2-CA 3.36Å; E254-G262 PolarHBondContact OE2-N 2.88Å; S260-G262 PolarHBondContact OG-N 3.13Å; G262-V265 PolarHBondContact O-N 2.67Å; G262-A266 WeakPolarHBondContact O-CB 3.4Å; G262-A266 PolarHBondContact O-N 2.8Å
263A85.7Confident85.2Confident21 Ų2147.5 Ų47.517%0.17426%0.256CS..Hα-helixtrans-60.9-49.3177.600000113.2G261 V265 A266 E267 F312G261-A263 VanDerWaalsContact C-N 3.3Å; G261-A263 PolarHBondContact O-N 3.26Å; A263-V265 VanDerWaalsContact C-N 3.29Å; A263-V265 PolarHBondContact O-N 3.02Å; A263-A266 PolarHBondContact O-N 3.34Å; A263-E267 PolarHBondContact O-N 2.92Å; A263-F312 HydrophobicContact CB-CE2 4.04Å; A263-F312 HydrophobicContact CB-CZ 3.86Å
264A87.7Confident85.4Confident58 Ų5849.5 Ų49.548%0.47927%0.265SS..Hα-helixtrans-63.3-37.6178.700000112Q268A264-Q268 WeakPolarHBondContact O-CG 3.46Å; A264-Q268 PolarHBondContact O-N 3.05Å; A264-Q268 VanDerWaalsContact O-N 3.11Å
265V90.1Very high85.8Confident4 Ų451.6 Ų51.62%0.02428%0.276CS..Hα-helixtrans-65.8-48.1174.8168.60000111.1F205 L212 L216 A250 G262 A263 E267 Q268 V269F205-V265 HydrophobicContact CE2-CB 4.2Å; F205-V265 HydrophobicContact CE2-CG1 4.11Å; F205-V265 HydrophobicContact CE2-CG2 4.1Å; F205-V265 HydrophobicContact CZ-CB 4.3Å; F205-V265 HydrophobicContact CZ-CG2 3.94Å; L212-V265 HydrophobicContact CD1-CG1 4.36Å; L212-V265 HydrophobicContact CD2-CB 4.18Å; L212-V265 HydrophobicContact CD2-CG1 3.29Å; L212-V265 HydrophobicContact CD2-CG2 3.79Å; L212-V265 HydrophobicContact CG-CG1 4.48Å; L216-V265 HydrophobicContact CD1-CG1 3.87Å; A250-V265 HydrophobicContact CB-CB 4.14Å; A250-V265 HydrophobicContact CB-CG1 3.7Å; G262-V265 PolarHBondContact O-N 2.67Å; A263-V265 VanDerWaalsContact C-N 3.29Å; A263-V265 PolarHBondContact O-N 3.02Å; V265-E267 VanDerWaalsContact C-N 3.28Å; V265-E267 PolarHBondContact O-N 2.9Å; V265-Q268 PolarHBondContact O-N 3.18Å; V265-V269 HydrophobicContact CG1-CG2 4.29Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.47Å; V265-V269 PolarHBondContact O-N 3.46Å
266A90.3Very high86.3Confident0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-58.6-42.217900000111.3L247 A250 L251 G262 A263 V269 L270 V319L247-A266 HydrophobicContact CD1-CB 3.69Å; A250-A266 HydrophobicContact CB-CB 4.38Å; L251-A266 HydrophobicContact CD2-CB 4.35Å; G262-A266 WeakPolarHBondContact O-CB 3.4Å; G262-A266 PolarHBondContact O-N 2.8Å; A263-A266 PolarHBondContact O-N 3.34Å; A266-V269 PolarHBondContact O-N 3.14Å; A266-L270 WeakPolarHBondContact O-CB 3.1Å; A266-L270 WeakPolarHBondContact O-CD1 3.5Å; A266-L270 WeakPolarHBondContact O-CG 3.42Å; A266-L270 PolarHBondContact O-N 3.44Å; A266-V319 HydrophobicContact CB-CG1 4.34Å; A266-V319 HydrophobicContact CB-CG2 4.24Å
267E90Very high86.6Confident97 Ų9740.3 Ų40.345%0.45322%0.223SC..Hα-helixtrans-62-46.8176.3-173.7169.6161.600112.6A263 V265 V269 L270 S271 S318A263-E267 PolarHBondContact O-N 2.92Å; V265-E267 VanDerWaalsContact C-N 3.28Å; V265-E267 PolarHBondContact O-N 2.9Å; E267-V269 PolarHBondContact O-N 3.47Å; E267-L270 PolarHBondContact O-N 2.84Å; E267-S271 WeakPolarHBondContact O-CB 3.09Å; E267-S271 PolarHBondContact O-N 3.32Å; E267-S318 VanDerWaalsContact OE2-CB 3.31Å; E267-S318 WeakPolarHBondContact OE2-CB 3.34Å; E267-S318 PolarHBondContact OE2-OG 3.28Å
268Q91.3Very high86.8Confident78 Ų7841.2 Ų41.236%0.36423%0.225SC..Hα-helixtrans-61.5-43.4176.3-74.4-179.38.100112.2L216 A264 V265 S271 I272L216-Q268 HydrophobicContact CB-CB 4.5Å; L216-Q268 HydrophobicContact CD1-CB 4.09Å; A264-Q268 WeakPolarHBondContact O-CG 3.46Å; A264-Q268 PolarHBondContact O-N 3.05Å; A264-Q268 VanDerWaalsContact O-N 3.11Å; V265-Q268 PolarHBondContact O-N 3.18Å; Q268-S271 PolarHBondContact O-N 3.07Å; Q268-I272 WeakPolarHBondContact O-CD1 3.26Å; Q268-I272 VanDerWaalsContact O-CG1 3.3Å; Q268-I272 WeakPolarHBondContact O-CG1 3.45Å; Q268-I272 PolarHBondContact O-N 3.01Å
269V93.4Very high87.6Confident0 Ų034.4 Ų34.40%020%0.196CC..Hα-helixtrans-62.1-46.6177.8174.20000110.9L216 M243 T246 L247 V265 A266 E267 S271 I272 M273L216-V269 HydrophobicContact CD1-CG2 3.61Å; L216-V269 HydrophobicContact CD2-CG2 3.82Å; L216-V269 HydrophobicContact CG-CG2 4.4Å; M243-V269 HydrophobicContact CB-CG1 4.15Å; M243-V269 WeakPolarHBondContact O-CG1 2.98Å; M243-V269 HydrophobicContact SD-CG1 4.5Å; T246-V269 HydrophobicContact CG2-CG2 3.96Å; L247-V269 HydrophobicContact CB-CG1 3.99Å; V265-V269 HydrophobicContact CG1-CG2 4.29Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.47Å; V265-V269 PolarHBondContact O-N 3.46Å; A266-V269 PolarHBondContact O-N 3.14Å; E267-V269 PolarHBondContact O-N 3.47Å; V269-S271 VanDerWaalsContact C-N 3.34Å; V269-S271 PolarHBondContact O-N 3.44Å; V269-I272 PolarHBondContact O-N 3.45Å; V269-M273 HydrophobicContact CG1-CG 4.23Å; V269-M273 HydrophobicContact CG1-SD 3.73Å; V269-M273 WeakPolarHBondContact O-CB 3.49Å; V269-M273 VanDerWaalsContact O-CG 3.26Å; V269-M273 WeakPolarHBondContact O-CG 3.32Å; V269-M273 PolarHBondContact O-N 2.85Å
270L91.8Very high88Confident3 Ų328.2 Ų28.22%0.01616%0.164CC..Hα-helixtrans-62.1-41.2178.5-68.8166.1000111.4L247 A266 E267 M273 E274 V319 L323 I326L247-L270 HydrophobicContact CD1-CD1 4.4Å; L247-L270 HydrophobicContact CD1-CD2 4.31Å; L247-L270 HydrophobicContact CD1-CG 4.11Å; L247-L270 HydrophobicContact CD2-CD2 3.72Å; L247-L270 HydrophobicContact CD2-CG 4.4Å; A266-L270 WeakPolarHBondContact O-CB 3.1Å; A266-L270 WeakPolarHBondContact O-CD1 3.5Å; A266-L270 WeakPolarHBondContact O-CG 3.42Å; A266-L270 PolarHBondContact O-N 3.44Å; E267-L270 PolarHBondContact O-N 2.84Å; L270-M273 PolarHBondContact O-N 2.7Å; L270-E274 WeakPolarHBondContact O-CB 3.4Å; L270-E274 PolarHBondContact O-N 3.47Å; L270-V319 HydrophobicContact CD1-CG1 3.97Å; L270-V319 WeakPolarHBondContact CD1-O 3.37Å; L270-L323 HydrophobicContact CD1-CG 4.18Å; L270-L323 HydrophobicContact CD2-CD2 3.85Å; L270-L323 HydrophobicContact CD2-CG 4.2Å; L270-I326 HydrophobicContact CB-CD1 3.99Å; L270-I326 HydrophobicContact CD2-CD1 3.46Å; L270-I326 VanDerWaalsContact CD2-CD1 3.46Å; L270-I326 HydrophobicContact CG-CD1 4.32Å; L270-I326 VanDerWaalsContact O-CD1 3.29Å; L270-I326 WeakPolarHBondContact O-CD1 3.32Å
271S92.4Very high87.9Confident65 Ų6528.5 Ų28.546%0.45517%0.165SC..Hα-helixtrans-61.8-47.2176.4-1790000112.4E267 Q268 V269 M273 E274 I275E267-S271 WeakPolarHBondContact O-CB 3.09Å; E267-S271 PolarHBondContact O-N 3.32Å; Q268-S271 PolarHBondContact O-N 3.07Å; V269-S271 VanDerWaalsContact C-N 3.34Å; V269-S271 PolarHBondContact O-N 3.44Å; S271-M273 PolarHBondContact O-N 3.12Å; S271-E274 PolarHBondContact O-N 3.02Å; S271-I275 PolarHBondContact O-N 2.93Å
272I93.3Very high87.3Confident4 Ų431.1 Ų31.12%0.02119%0.185CC..Hα-helixtrans-62.1-44.1177-69.4161.5000110.9L216 F219 V223 M243 Q268 V269 I275 I276L216-I272 HydrophobicContact CB-CD1 4.28Å; L216-I272 HydrophobicContact CD2-CD1 3.96Å; F219-I272 HydrophobicContact CB-CD1 3.8Å; F219-I272 HydrophobicContact CB-CG2 4.42Å; V223-I272 HydrophobicContact CG1-CG2 4.01Å; M243-I272 HydrophobicContact CE-CG2 3.91Å; Q268-I272 WeakPolarHBondContact O-CD1 3.26Å; Q268-I272 VanDerWaalsContact O-CG1 3.3Å; Q268-I272 WeakPolarHBondContact O-CG1 3.45Å; Q268-I272 PolarHBondContact O-N 3.01Å; V269-I272 PolarHBondContact O-N 3.45Å; I272-I275 PolarHBondContact O-N 3.09Å; I272-I276 HydrophobicContact CG2-CD1 3.76Å; I272-I276 WeakPolarHBondContact O-CG1 3.47Å; I272-I276 PolarHBondContact O-N 3.49Å
273M91.3Very high85.9Confident3 Ų336.6 Ų36.62%0.01521%0.211CC..Hα-helixtrans-64.2-40178.8-77.2-179.158.100112.5L240 M243 L244 V269 L270 S271 I275 I276 L277 I326L240-M273 HydrophobicContact CD1-CE 3.42Å; L240-M273 VanDerWaalsContact CD1-CE 3.42Å; M243-M273 HydrophobicContact CB-CG 3.62Å; M243-M273 HydrophobicContact CB-SD 3.58Å; M243-M273 VanDerWaalsContact CB-SD 3.58Å; M243-M273 HydrophobicContact CG-CG 4.11Å; L244-M273 HydrophobicContact CD2-CE 3.65Å; L244-M273 HydrophobicContact CD2-SD 4.33Å; L244-M273 HydrophobicContact CG-CE 3.92Å; V269-M273 HydrophobicContact CG1-CG 4.23Å; V269-M273 HydrophobicContact CG1-SD 3.73Å; V269-M273 WeakPolarHBondContact O-CB 3.49Å; V269-M273 VanDerWaalsContact O-CG 3.26Å; V269-M273 WeakPolarHBondContact O-CG 3.32Å; V269-M273 PolarHBondContact O-N 2.85Å; L270-M273 PolarHBondContact O-N 2.7Å; S271-M273 PolarHBondContact O-N 3.12Å; M273-I275 VanDerWaalsContact C-N 3.34Å; M273-I275 PolarHBondContact O-N 3.36Å; M273-I276 PolarHBondContact O-N 2.92Å; M273-L277 HydrophobicContact CE-CD1 4.41Å; M273-L277 VanDerWaalsContact O-CB 3.29Å; M273-L277 WeakPolarHBondContact O-CB 3.43Å; M273-L277 VanDerWaalsContact O-CG 3.23Å; M273-L277 WeakPolarHBondContact O-CG 3.45Å; M273-L277 PolarHBondContact O-N 3.47Å; M273-I326 HydrophobicContact CB-CD1 3.69Å; M273-I326 HydrophobicContact CE-CD1 4.34Å; M273-I326 HydrophobicContact CE-CG2 4.06Å
274E89Confident84.1Confident46 Ų4641.5 Ų41.522%0.21524%0.24CC..Hα-helixtrans-56.5-48.7176.7-174.2176172.200110.5L270 S271 I276 L277 D278 R325L270-E274 WeakPolarHBondContact O-CB 3.4Å; L270-E274 PolarHBondContact O-N 3.47Å; S271-E274 PolarHBondContact O-N 3.02Å; E274-I276 PolarHBondContact O-N 3.19Å; E274-L277 PolarHBondContact O-N 3.19Å; E274-D278 WeakPolarHBondContact O-CB 3.41Å; E274-D278 PolarHBondContact O-N 3.14Å; E274-R325 WeakPolarHBondContact OE1-CD 3.48Å; E274-R325 IonicContact OE1-NH1 3.61Å; E274-R325 PolarHBondContact OE1-NH1 3.37Å; E274-R325 VanDerWaalsContact OE2-CD 3.25Å; E274-R325 WeakPolarHBondContact OE2-CD 3.39Å; E274-R325 IonicContact OE2-NH1 3.98Å; E274-R325 PolarHBondContact OE2-NH1 3.06Å; E274-R325 VanDerWaalsContact OE2-NH1 3.08Å
275I90.4Very high82Confident63 Ų6343 Ų4332%0.32324%0.24SC..Hα-helixtrans-62.4-44.1179.8-63167.5000111.8V223 R229 S271 I272 M273 D278 E279V223-I275 HydrophobicContact CB-CG2 4.02Å; V223-I275 HydrophobicContact CG2-CD1 3.78Å; V223-I275 HydrophobicContact CG2-CG2 4.38Å; R229-I275 HydrophobicContact CG-CG2 4.42Å; S271-I275 PolarHBondContact O-N 2.93Å; I272-I275 PolarHBondContact O-N 3.09Å; M273-I275 VanDerWaalsContact C-N 3.34Å; M273-I275 PolarHBondContact O-N 3.36Å; I275-D278 PolarHBondContact O-N 3.47Å; I275-E279 PolarHBondContact O-N 2.87Å; I275-E279 VanDerWaalsContact O-N 3.13Å
276I89.1Confident79.7Confident4 Ų446 Ų462%0.02126%0.261CS..Hα-helixtrans-68.4-42.7-178.7-64.8166.3000111.1V223 L232 V233 T239 I272 M273 E274 D278 E279 S280 L294V223-I276 HydrophobicContact CG1-CD1 4.04Å; V223-I276 HydrophobicContact CG1-CG1 3.92Å; L232-I276 HydrophobicContact CB-CD1 4.39Å; L232-I276 HydrophobicContact CB-CG2 4.4Å; L232-I276 HydrophobicContact CD1-CD1 3.95Å; L232-I276 HydrophobicContact CD1-CG1 4.28Å; V233-I276 HydrophobicContact CG2-CG2 4.14Å; T239-I276 HydrophobicContact CG2-CD1 3.98Å; I272-I276 HydrophobicContact CG2-CD1 3.76Å; I272-I276 WeakPolarHBondContact O-CG1 3.47Å; I272-I276 PolarHBondContact O-N 3.49Å; M273-I276 PolarHBondContact O-N 2.92Å; E274-I276 PolarHBondContact O-N 3.19Å; I276-D278 VanDerWaalsContact C-N 3.32Å; I276-E279 PolarHBondContact O-N 3.19Å; I276-S280 PolarHBondContact O-N 2.86Å; I276-L294 HydrophobicContact CG2-CD1 3.96Å
277L85.9Confident77.4Confident1 Ų155.8 Ų55.81%0.00531%0.307CS..Hα-helixtrans-68.2-34178.9-71.6168.6000111.5L240 M273 E274 S280 N281 L294 I326 Y329 L330L240-L277 HydrophobicContact CD1-CD1 4.49Å; L240-L277 HydrophobicContact CD1-CD2 4.29Å; L240-L277 HydrophobicContact CD2-CD2 4.46Å; M273-L277 HydrophobicContact CE-CD1 4.41Å; M273-L277 VanDerWaalsContact O-CB 3.29Å; M273-L277 WeakPolarHBondContact O-CB 3.43Å; M273-L277 VanDerWaalsContact O-CG 3.23Å; M273-L277 WeakPolarHBondContact O-CG 3.45Å; M273-L277 PolarHBondContact O-N 3.47Å; E274-L277 PolarHBondContact O-N 3.19Å; L277-S280 PolarHBondContact O-N 2.72Å; L277-N281 WeakPolarHBondContact O-CB 3.45Å; L277-N281 PolarHBondContact O-N 2.96Å; L277-N281 PolarHBondContact O-ND2 3.22Å; L277-L294 HydrophobicContact CD2-CB 4.03Å; L277-I326 HydrophobicContact CD1-CB 4.44Å; L277-I326 HydrophobicContact CD1-CG1 4.2Å; L277-I326 HydrophobicContact CD1-CG2 3.7Å; L277-Y329 HydrophobicContact CB-CD1 4.07Å; L277-Y329 HydrophobicContact CB-CG 3.99Å; L277-L330 HydrophobicContact CD1-CD2 4.42Å
278D84.5Confident75.1Confident62 Ų6258.9 Ų58.933%0.33233%0.327SS..Hα-helixtrans-65.3-45.6174.3-151.651.4000111.2E274 I275 I276 S280 N281 A282 Y329 K377E274-D278 WeakPolarHBondContact O-CB 3.41Å; E274-D278 PolarHBondContact O-N 3.14Å; I275-D278 PolarHBondContact O-N 3.47Å; I276-D278 VanDerWaalsContact C-N 3.32Å; D278-S280 VanDerWaalsContact C-N 3.35Å; D278-S280 PolarHBondContact O-N 3.29Å; D278-N281 CarbonylContact O-C 3.6Å; D278-N281 PolarHBondContact O-N 3.06Å; D278-A282 PolarHBondContact O-N 3.1Å; D278-A282 VanDerWaalsContact O-N 3.11Å; D278-Y329 PolarHBondContact OD1-OH 3.27Å; D278-K377 WeakPolarHBondContact OD1-CE 3.28Å; D278-K377 IonicContact OD1-NZ 3.59Å; D278-K377 IonicContact OD2-NZ 3.33Å
279E85.4Confident72.9Confident38 Ų3859.5 Ų59.518%0.17833%0.328CS..Hα-helixtrans-60.2-42.5174.9-173.880.9-156.100111.7R229 V233 I275 I276 N281 A282R229-E279 HydrophobicContact CB-CB 4.23Å; R229-E279 HydrophobicContact CB-CG 3.85Å; R229-E279 IonicContact CZ-OE2 2.64Å; R229-E279 IonicContact NE-OE2 3.24Å; R229-E279 PolarHBondContact NE-OE2 3.42Å; R229-E279 IonicContact NH2-OE2 3.85Å; V233-E279 HydrophobicContact CG2-CB 4.35Å; V233-E279 HydrophobicContact CG2-CG 4.35Å; I275-E279 PolarHBondContact O-N 2.87Å; I275-E279 VanDerWaalsContact O-N 3.13Å; I276-E279 PolarHBondContact O-N 3.19Å; E279-N281 PolarHBondContact O-N 3.01Å; E279-N281 VanDerWaalsContact O-N 3.13Å; E279-A282 PolarHBondContact O-N 3.13Å
280S80.8Confident70.7Confident19 Ų1962.4 Ų62.413%0.13336%0.358CS..Hα-helixtrans-58.3-25.4175.2179.60000112.8I276 L277 D278 L292 L294I276-S280 PolarHBondContact O-N 2.86Å; L277-S280 PolarHBondContact O-N 2.72Å; D278-S280 VanDerWaalsContact C-N 3.35Å; D278-S280 PolarHBondContact O-N 3.29Å; S280-L292 PolarHBondContact OG-O 2.9Å; S280-L292 VanDerWaalsContact OG-O 3.08Å; S280-L294 PolarHBondContact OG-N 2.92Å
281N75.4Confident68.6Low15 Ų1568.4 Ų68.48%0.0839%0.39CS..THydrogen-bonded Turntrans-106.93.3-174.6-80.5-84.9000114.6L277 D278 E279 Y329 F332 N379 N381L277-N281 WeakPolarHBondContact O-CB 3.45Å; L277-N281 PolarHBondContact O-N 2.96Å; L277-N281 PolarHBondContact O-ND2 3.22Å; D278-N281 CarbonylContact O-C 3.6Å; D278-N281 PolarHBondContact O-N 3.06Å; E279-N281 PolarHBondContact O-N 3.01Å; E279-N281 VanDerWaalsContact O-N 3.13Å; N281-Y329 HydrophobicContact CB-CD1 4.35Å; N281-Y329 HydrophobicContact CB-CE1 4.22Å; N281-Y329 WeakPolarHBondContact ND2-CD1 3.44Å; N281-F332 WeakPolarHBondContact OD1-CD2 3.49Å; N281-N379 PolarHBondContact O-ND2 3.15Å; N281-N381 PolarHBondContact OD1-ND2 3.12Å
282A69.3Low66.7Low72 Ų7268 Ų6860%0.59538%0.382SS*.SBendtrans-89.4-17.3-17300000115.3D278 E279D278-A282 PolarHBondContact O-N 3.1Å; D278-A282 VanDerWaalsContact O-N 3.11Å; E279-A282 PolarHBondContact O-N 3.13Å
283E56.9Low65.1Low116 Ų11669.2 Ų69.254%0.54239%0.389SS..SBendtrans-98.8144.3-178.5-73-166164.700113.6L285 K289E283-L285 PolarHBondContact O-N 3.37Å; E283-K289 IonicContact OE2-NZ 3.48Å
284P47.6Very low63.8Low123 Ų12369.6 Ų69.680%0.79939%0.391SS*.  trans-64.5119.2168.5-215.1000108.8S286P284-S286 PolarHBondContact O-N 3.5Å
285L44.2Very low62.6Low90 Ų9069 Ų6947%0.47139%0.39SS..  trans-53.7101.1174.5-66.3159.9000109.4E283 L293E283-L285 PolarHBondContact O-N 3.37Å; L285-L293 HydrophobicContact CD2-CD1 4.29Å
286S40.8Very low61.4Low66 Ų6666 Ų6646%0.46238%0.375SS..  trans-65.7143159.759.80000108.1P284 D288 K289P284-S286 PolarHBondContact O-N 3.5Å; S286-D288 PolarHBondContact O-N 2.9Å; S286-K289 PolarHBondContact O-N 2.92Å
287E42.5Very low60.5Low206 Ų20670.2 Ų70.296%0.96340%0.398SS*.THydrogen-bonded Turntrans-55.7-16.5-172.7-72.5-179.4147.600114.4
288D41.7Very low60.1Low163 Ų16374.6 Ų74.687%0.87242%0.417SS*.THydrogen-bonded Turntrans-90.72.2178.4-95.7-18.1000115.4S286S286-D288 PolarHBondContact O-N 2.9Å
289K45.5Very low59.8Low90 Ų9078 Ų7839%0.39144%0.435SS..  trans-123.527.6-171.2-86.1-178.9169.3-170.50115.5E283 S286 N291 L292E283-K289 IonicContact OE2-NZ 3.48Å; S286-K289 PolarHBondContact O-N 2.92Å; K289-N291 PolarHBondContact O-N 3.11Å; K289-L292 HydrophobicContact CB-CD1 4.09Å; K289-L292 HydrophobicContact CD-CD1 3.62Å; K289-L292 HydrophobicContact CG-CD1 3.78Å; K289-L292 PolarHBondContact O-N 3.28Å
290G46.5Very low59.3Low61 Ų6178 Ų7863%0.62944%0.435SS*.THydrogen-bonded Turntrans-55.8-11171.400000115.2
291N48.4Very low59.4Low130 Ų13077.1 Ų77.170%0.69543%0.429SS*.THydrogen-bonded Turntrans-95.420.9-177.8-66.8-17.5000114.9L235 K289L235-N291 HydrophobicContact CD1-CB 4.26Å; L235-N291 WeakPolarHBondContact CD1-O 3.26Å; L235-N291 WeakPolarHBondContact CG-O 3.46Å; K289-N291 PolarHBondContact O-N 3.11Å
292L52.5Low59.8Low55 Ų5578.9 Ų78.929%0.28844%0.44SS..  trans-119.5-3.1-178.8-74.3168.6000115.1S280 K289 L294S280-L292 PolarHBondContact OG-O 2.9Å; S280-L292 VanDerWaalsContact OG-O 3.08Å; K289-L292 HydrophobicContact CB-CD1 4.09Å; K289-L292 HydrophobicContact CD-CD1 3.62Å; K289-L292 HydrophobicContact CG-CD1 3.78Å; K289-L292 PolarHBondContact O-N 3.28Å; L292-L294 PolarHBondContact O-N 3.48Å
293L59.3Low60.4Low31 Ų3177.7 Ų77.716%0.16242%0.423CS..  trans-74.7112.9175.7-81.8155.7000109.3L285 T295 N381L285-L293 HydrophobicContact CD2-CD1 4.29Å; L293-T295 VanDerWaalsContact C-N 3.33Å; L293-T295 HydrophobicContact CB-CG2 4.25Å; L293-T295 PolarHBondContact O-N 3.33Å; L293-N381 WeakPolarHBondContact CD2-ND2 3.22Å
294L64.4Low61.6Low11 Ų1172.2 Ų72.26%0.05840%0.397CS..  trans-7587.5171.5-74175.6000109.2L235 L240 I276 L277 S280 L292L235-L294 HydrophobicContact CD2-CD2 4.15Å; L240-L294 HydrophobicContact CB-CB 4.48Å; L240-L294 HydrophobicContact CB-CD2 4.24Å; L240-L294 HydrophobicContact CD2-CB 4.03Å; L240-L294 WeakPolarHBondContact CD2-O 3.35Å; I276-L294 HydrophobicContact CG2-CD1 3.96Å; L277-L294 HydrophobicContact CD2-CB 4.03Å; S280-L294 PolarHBondContact OG-N 2.92Å; L292-L294 PolarHBondContact O-N 3.48Å
295T63.5Low63.4Low33 Ų3366.6 Ų66.620%0.20236%0.36CS..PPolyproline II helixtrans-101.2120.1172.356.70000108.6L293 F332 E334L293-T295 VanDerWaalsContact C-N 3.33Å; L293-T295 HydrophobicContact CB-CG2 4.25Å; L293-T295 PolarHBondContact O-N 3.33Å; T295-F332 WeakPolarHBondContact CG2-O 3.36Å; T295-E334 VanDerWaalsContact CB-OE1 3.23Å; T295-E334 WeakPolarHBondContact CB-OE1 2.95Å; T295-E334 HydrophobicContact CG2-CG 4.44Å; T295-E334 PolarHBondContact OG1-OE1 2.98Å
296G64.3Low65.2Low0 Ų066 Ų660%036%0.357CS..PPolyproline II helixtrans-64.8159.817500000110.6L240 K337L240-G296 VanDerWaalsContact CD2-N 3.34Å; G296-K337 WeakPolarHBondContact O-CE 3.15Å; G296-K337 PolarHBondContact O-NZ 3.12Å
297D71.1Confident67.2Low93 Ų9364.3 Ų64.350%0.49734%0.342SS..PPolyproline II helixtrans-62.3155.7-179.8-74.3-28.4000112.1D299 Q300 L301D297-D299 PolarHBondContact O-N 3.17Å; D297-Q300 HydrophobicContact CB-CG 4.1Å; D297-Q300 WeakPolarHBondContact O-CB 3.44Å; D297-Q300 PolarHBondContact O-N 3.35Å; D297-L301 PolarHBondContact O-N 2.95Å; D297-L301 VanDerWaalsContact O-N 3.07Å
298K78.1Confident69.2Low93 Ų9354.5 Ų54.540%0.40430%0.296SS..Hα-helixtrans-53-43.4178.6177.6174.1171.3169.80112Q300 L301 V302 E336 I340K298-Q300 VanDerWaalsContact C-N 3.29Å; K298-Q300 PolarHBondContact O-N 2.88Å; K298-L301 PolarHBondContact O-N 3.26Å; K298-V302 WeakPolarHBondContact O-CG2 3.39Å; K298-V302 PolarHBondContact O-N 3.45Å; K298-V302 VanDerWaalsContact O-N 3.09Å; K298-E336 IonicContact NZ-OE1 2.7Å; K298-E336 PolarHBondContact NZ-OE1 3.45Å; K298-I340 HydrophobicContact CD-CD1 3.88Å; K298-I340 VanDerWaalsContact CE-CD1 3.49Å; K298-I340 HydrophobicContact CG-CD1 3.78Å
299D76.5Confident70.9Confident132 Ų13249.5 Ų49.571%0.70627%0.27SS*.Hα-helixtrans-67.2-30.8179.7-63.5-31.5000112.3D297 M303D297-D299 PolarHBondContact O-N 3.17Å; D299-M303 WeakPolarHBondContact O-CB 3.48Å; D299-M303 PolarHBondContact O-N 3.33Å
300Q76.6Confident72.6Confident39 Ų3946 Ų4618%0.18226%0.257CS..Hα-helixtrans-71.8-42176.5-64.2171.8-10.300111.5N241 L244 D297 K298 M303 L304N241-Q300 PolarHBondContact OD1-NE2 3.48Å; N241-Q300 PolarHBondContact OD1-OE1 2.9Å; L244-Q300 HydrophobicContact CD1-CB 4.29Å; L244-Q300 HydrophobicContact CD1-CG 4.5Å; D297-Q300 HydrophobicContact CB-CG 4.1Å; D297-Q300 WeakPolarHBondContact O-CB 3.44Å; D297-Q300 PolarHBondContact O-N 3.35Å; K298-Q300 VanDerWaalsContact C-N 3.29Å; K298-Q300 PolarHBondContact O-N 2.88Å; Q300-M303 PolarHBondContact O-N 3.45Å; Q300-L304 WeakPolarHBondContact O-CG 3.48Å; Q300-L304 PolarHBondContact O-N 3.01Å
301L82.1Confident74.2Confident0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-60.9-46174.6176.761.4000111.2D297 K298 L304 L305 I327 L330 K337D297-L301 PolarHBondContact O-N 2.95Å; D297-L301 VanDerWaalsContact O-N 3.07Å; K298-L301 PolarHBondContact O-N 3.26Å; L301-L304 PolarHBondContact O-N 3.01Å; L301-L305 HydrophobicContact CD1-CD1 4.25Å; L301-L305 HydrophobicContact CD1-CG 4.4Å; L301-L305 HydrophobicContact CG-CD1 4.11Å; L301-L305 WeakPolarHBondContact O-CB 3.34Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 3.05Å; L301-I327 HydrophobicContact CD1-CG2 4.22Å; L301-L330 HydrophobicContact CD1-CB 4.25Å; L301-K337 HydrophobicContact CD2-CB 3.79Å; L301-K337 HydrophobicContact CD2-CG 4.25Å
302V83.3Confident75.7Confident53 Ų5343.5 Ų43.532%0.32123%0.232SC..Hα-helixtrans-61.9-44.7176.5173.90000110.8K298 L304 L305 D306 I340K298-V302 WeakPolarHBondContact O-CG2 3.39Å; K298-V302 PolarHBondContact O-N 3.45Å; K298-V302 VanDerWaalsContact O-N 3.09Å; V302-L304 PolarHBondContact O-N 3.44Å; V302-L305 WeakPolarHBondContact O-CB 3.22Å; V302-L305 PolarHBondContact O-N 2.93Å; V302-D306 PolarHBondContact O-N 2.95Å; V302-I340 HydrophobicContact CG2-CG2 4.08Å
303M82.9Confident77.2Confident47 Ų4740.9 Ų40.923%0.23222%0.218CC..Hα-helixtrans-57.8-47.5177-178.3-81.5-67.100111.7N248 D299 Q300 L305 D306 Q307N248-M303 HydrophobicContact CB-CE 4.43Å; D299-M303 WeakPolarHBondContact O-CB 3.48Å; D299-M303 PolarHBondContact O-N 3.33Å; Q300-M303 PolarHBondContact O-N 3.45Å; M303-L305 VanDerWaalsContact C-N 3.35Å; M303-L305 PolarHBondContact O-N 3.25Å; M303-D306 PolarHBondContact O-N 3.44Å; M303-D306 VanDerWaalsContact O-N 3.13Å; M303-Q307 WeakPolarHBondContact O-CG 3.44Å; M303-Q307 PolarHBondContact O-N 3.42Å; M303-Q307 HydrophobicContact SD-CG 3.64Å
304L82.8Confident78.2Confident1 Ų143 Ų431%0.00523%0.225CC..Hα-helixtrans-65-37.5177.9-67.1178.3000112.7L244 L247 Q300 L301 V302 D306 Q307 I308 L323 L330L244-L304 HydrophobicContact CD2-CD1 3.82Å; L247-L304 HydrophobicContact CD2-CD2 4.05Å; Q300-L304 WeakPolarHBondContact O-CG 3.48Å; Q300-L304 PolarHBondContact O-N 3.01Å; L301-L304 PolarHBondContact O-N 3.01Å; V302-L304 PolarHBondContact O-N 3.44Å; L304-D306 VanDerWaalsContact C-N 3.27Å; L304-D306 PolarHBondContact O-N 3.43Å; L304-Q307 PolarHBondContact O-N 3.03Å; L304-I308 PolarHBondContact O-N 3.23Å; L304-L323 HydrophobicContact CD2-CD2 3.83Å; L304-L330 HydrophobicContact CD1-CD1 3.33Å
305L83.8Confident79Confident5 Ų546.4 Ų46.43%0.02625%0.249CC..Hα-helixtrans-64.1-32.9173.6-72.8170.1000112.1L301 V302 M303 I308 I327 I340 L341 R344 F345L301-L305 HydrophobicContact CD1-CD1 4.25Å; L301-L305 HydrophobicContact CD1-CG 4.4Å; L301-L305 HydrophobicContact CG-CD1 4.11Å; L301-L305 WeakPolarHBondContact O-CB 3.34Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 3.05Å; V302-L305 WeakPolarHBondContact O-CB 3.22Å; V302-L305 PolarHBondContact O-N 2.93Å; M303-L305 VanDerWaalsContact C-N 3.35Å; M303-L305 PolarHBondContact O-N 3.25Å; L305-I308 HydrophobicContact CD2-CD1 4.18Å; L305-I327 HydrophobicContact CD2-CD1 4.21Å; L305-I327 HydrophobicContact CD2-CG2 4.02Å; L305-I340 HydrophobicContact CD1-CG2 4.47Å; L305-L341 HydrophobicContact CD1-CD1 4.42Å; L305-L341 HydrophobicContact CD2-CD1 3.79Å; L305-R344 HydrophobicContact CD1-CG 4.5Å; L305-F345 HydrophobicContact CD2-CE2 4.02Å; L305-F345 HydrophobicContact CD2-CZ 4.49Å
306D83.6Confident79.9Confident76 Ų7646.9 Ų46.941%0.40625%0.25SS..Hα-helixtrans-74.7-33.3172.7-73.6-27.4000112V302 M303 L304 I308 N309 R344V302-D306 PolarHBondContact O-N 2.95Å; M303-D306 PolarHBondContact O-N 3.44Å; M303-D306 VanDerWaalsContact O-N 3.13Å; L304-D306 VanDerWaalsContact C-N 3.27Å; L304-D306 PolarHBondContact O-N 3.43Å; D306-I308 PolarHBondContact O-N 3.26Å; D306-N309 WeakPolarHBondContact O-CB 3.34Å; D306-N309 PolarHBondContact O-N 3.3Å; D306-R344 IonicContact OD1-CZ 2.7Å; D306-R344 IonicContact OD1-NH1 2.69Å; D306-R344 IonicContact OD1-NH2 3.79Å; D306-R344 PolarHBondContact OD1-NH2 3.41Å
307Q82.6Confident80.9Confident31 Ų3151.4 Ų51.415%0.14528%0.279CS..Hα-helixtrans-64.9-22.6176.7-68.8-58.6-24.600113.6L251 M303 L304 N309 S310 V313L251-Q307 HydrophobicContact CD1-CB 4.47Å; L251-Q307 HydrophobicContact CD1-CG 4.03Å; M303-Q307 WeakPolarHBondContact O-CG 3.44Å; M303-Q307 PolarHBondContact O-N 3.42Å; M303-Q307 HydrophobicContact SD-CG 3.64Å; L304-Q307 PolarHBondContact O-N 3.03Å; Q307-N309 PolarHBondContact O-N 2.94Å; Q307-N309 VanDerWaalsContact O-N 3.16Å; Q307-S310 VanDerWaalsContact O-CB 3.29Å; Q307-S310 WeakPolarHBondContact O-CB 3.18Å; Q307-S310 PolarHBondContact O-N 3.45Å; Q307-S310 PolarHBondContact O-OG 3.12Å; Q307-V313 HydrophobicContact CB-CG2 4.47Å; Q307-V313 WeakPolarHBondContact O-CB 3.34Å; Q307-V313 WeakPolarHBondContact O-CG2 3.3Å
308I82.8Confident81.5Confident0 Ų049.5 Ų49.50%027%0.273CS..THydrogen-bonded Turntrans-55.4-29.7169.8-62.5174.5000111.1L304 L305 D306 R314 L320 L324 I327 F345 F365L304-I308 PolarHBondContact O-N 3.23Å; L305-I308 HydrophobicContact CD2-CD1 4.18Å; D306-I308 PolarHBondContact O-N 3.26Å; I308-R314 WeakPolarHBondContact O-CG 3.47Å; I308-R314 PolarHBondContact O-NE 3.48Å; I308-L320 HydrophobicContact CG2-CD1 4.21Å; I308-L324 HydrophobicContact CD1-CD2 4.13Å; I308-I327 HydrophobicContact CD1-CD1 3.77Å; I308-I327 HydrophobicContact CG1-CD1 4.32Å; I308-F345 HydrophobicContact CD1-CZ 4.36Å; I308-F365 HydrophobicContact CG2-CE1 4.5Å
309N77.3Confident81.9Confident59 Ų5945 Ų4532%0.31625%0.254SS..THydrogen-bonded Turntrans-85.1-8.8176.7-75.6-28.3000114.6D306 Q307 T311 R314 F365D306-N309 WeakPolarHBondContact O-CB 3.34Å; D306-N309 PolarHBondContact O-N 3.3Å; Q307-N309 PolarHBondContact O-N 2.94Å; Q307-N309 VanDerWaalsContact O-N 3.16Å; N309-T311 PolarHBondContact O-N 2.99Å; N309-R314 PolarHBondContact OD1-NH2 3.32Å; N309-F365 WeakPolarHBondContact ND2-CZ 3.49Å; N309-F365 WeakPolarHBondContact OD1-CE2 3.47Å; N309-F365 WeakPolarHBondContact OD1-CZ 3.24Å
310S82.8Confident82.4Confident17 Ų1739.7 Ų39.712%0.11923%0.225CC..SBendtrans-66.8138.418074.80000110.5Q307 F312 V313 R314Q307-S310 VanDerWaalsContact O-CB 3.29Å; Q307-S310 WeakPolarHBondContact O-CB 3.18Å; Q307-S310 PolarHBondContact O-N 3.45Å; Q307-S310 PolarHBondContact O-OG 3.12Å; S310-F312 PolarHBondContact O-N 3.3Å; S310-V313 PolarHBondContact O-N 3.43Å; S310-V313 WeakPolarHBondContact OG-CB 3.36Å; S310-V313 WeakPolarHBondContact OG-CG2 3.47Å; S310-V313 PolarHBondContact OG-N 3.3Å; S310-R314 WeakPolarHBondContact O-CG 3.34Å; S310-R314 PolarHBondContact O-N 2.83Å
311T79.1Confident82.9Confident117 Ų11741 Ų4172%0.71823%0.232SC*.Hα-helixtrans-55.4-35.4176.6-46.60000111.3N309 S315N309-T311 PolarHBondContact O-N 2.99Å; T311-S315 VanDerWaalsContact O-CB 3.27Å; T311-S315 WeakPolarHBondContact O-CB 3.41Å; T311-S315 PolarHBondContact O-N 3.31Å; T311-S315 VanDerWaalsContact O-N 3.08Å; T311-S315 PolarHBondContact O-OG 3.49Å
312F81.1Confident83.1Confident20 Ų2041.5 Ų41.59%0.08824%0.237CC..Hα-helixtrans-62.7-56.6177.7170.2-106.5000112.2L251 E254 Q255 A263 S310 R314 S315 N316 V319L251-F312 HydrophobicContact CD2-CD1 3.75Å; L251-F312 HydrophobicContact CD2-CE1 3.43Å; L251-F312 VanDerWaalsContact CD2-CE1 3.43Å; E254-F312 HydrophobicContact CB-CD2 4.09Å; E254-F312 HydrophobicContact CB-CE2 3.95Å; E254-F312 HydrophobicContact CB-CG 4.48Å; E254-F312 HydrophobicContact CB-CZ 4.19Å; E254-F312 HydrophobicContact CG-CD2 3.41Å; E254-F312 VanDerWaalsContact CG-CD2 3.41Å; E254-F312 HydrophobicContact CG-CE1 4.43Å; E254-F312 HydrophobicContact CG-CE2 3.05Å; E254-F312 HydrophobicContact CG-CG 4.25Å; E254-F312 HydrophobicContact CG-CZ 3.64Å; Q255-F312 HydrophobicContact CG-CB 4.3Å; A263-F312 HydrophobicContact CB-CE2 4.04Å; A263-F312 HydrophobicContact CB-CZ 3.86Å; S310-F312 PolarHBondContact O-N 3.3Å; F312-R314 VanDerWaalsContact C-N 3.31Å; F312-R314 PolarHBondContact O-N 3.02Å; F312-S315 PolarHBondContact O-N 3.01Å; F312-N316 WeakPolarHBondContact CD2-ND2 3.25Å; F312-N316 HydrophobicContact CE2-CB 4.39Å; F312-N316 WeakPolarHBondContact CE2-ND2 3.26Å; F312-N316 HydrophobicContact CZ-CB 4.38Å; F312-N316 PolarHBondContact O-N 3.29Å; F312-N316 VanDerWaalsContact O-N 3.14Å; F312-N316 PolarHBondContact O-ND2 3.41Å; F312-V319 HydrophobicContact CE1-CG1 4.25Å; F312-V319 HydrophobicContact CZ-CG2 4.37Å
313V82.8Confident83.3Confident0 Ų039 Ų390%022%0.222CC..Hα-helixtrans-62.7-40.5-178.2171.80000110.7L251 Q307 S310 S315 N316 V319 L320 L323L251-V313 HydrophobicContact CD2-CG2 4.24Å; Q307-V313 HydrophobicContact CB-CG2 4.47Å; Q307-V313 WeakPolarHBondContact O-CB 3.34Å; Q307-V313 WeakPolarHBondContact O-CG2 3.3Å; S310-V313 PolarHBondContact O-N 3.43Å; S310-V313 WeakPolarHBondContact OG-CB 3.36Å; S310-V313 WeakPolarHBondContact OG-CG2 3.47Å; S310-V313 PolarHBondContact OG-N 3.3Å; V313-S315 PolarHBondContact O-N 3.34Å; V313-N316 CarbonylContact O-C 3.54Å; V313-N316 PolarHBondContact O-N 3.07Å; V313-N316 VanDerWaalsContact O-N 3.16Å; V313-N316 VanDerWaalsContact O-O 3.1Å; V313-V319 HydrophobicContact CG2-CG1 4.31Å; V313-L320 HydrophobicContact CG1-CB 3.83Å; V313-L320 HydrophobicContact CG1-CD1 3.77Å; V313-L320 HydrophobicContact CG1-CG 4.37Å; V313-L323 HydrophobicContact CB-CD1 4.46Å; V313-L323 HydrophobicContact CG1-CD1 3.67Å; V313-L323 HydrophobicContact CG2-CD1 3.86Å
314R80.8Confident83.5Confident77 Ų7737 Ų3729%0.29121%0.212SC..Hα-helixtrans-63.5-28.6176.1-70.6-174.9174.8-170.96.2113.4I308 N309 S310 F312 D361I308-R314 WeakPolarHBondContact O-CG 3.47Å; I308-R314 PolarHBondContact O-NE 3.48Å; N309-R314 PolarHBondContact OD1-NH2 3.32Å; S310-R314 WeakPolarHBondContact O-CG 3.34Å; S310-R314 PolarHBondContact O-N 2.83Å; F312-R314 VanDerWaalsContact C-N 3.31Å; F312-R314 PolarHBondContact O-N 3.02Å; R314-D361 IonicContact CZ-OD1 3.64Å; R314-D361 IonicContact CZ-OD2 3.78Å; R314-D361 IonicContact NH1-OD1 2.8Å; R314-D361 PolarHBondContact NH1-OD1 3.11Å; R314-D361 IonicContact NH1-OD2 3.86Å; R314-D361 PolarHBondContact NH1-OD2 2.88Å; R314-D361 VanDerWaalsContact NH2-CG 3.26Å; R314-D361 IonicContact NH2-OD1 3.33Å; R314-D361 IonicContact NH2-OD2 2.6Å; R314-D361 PolarHBondContact NH2-OD2 2.98Å
315S81.1Confident83.7Confident81 Ų8143.3 Ų43.357%0.56624%0.236SC*.Hα-helixtrans-86.3-10.5178.6-56.30000113.2T311 F312 V313T311-S315 VanDerWaalsContact O-CB 3.27Å; T311-S315 WeakPolarHBondContact O-CB 3.41Å; T311-S315 PolarHBondContact O-N 3.31Å; T311-S315 VanDerWaalsContact O-N 3.08Å; T311-S315 PolarHBondContact O-OG 3.49Å; F312-S315 PolarHBondContact O-N 3.01Å; V313-S315 PolarHBondContact O-N 3.34Å
316N83.3Confident83.9Confident43 Ų4343.1 Ų43.123%0.2324%0.235CC..  trans-121.592.3-177.5-71.5-84.4000110.5F312 V313 S318 V319 L320F312-N316 WeakPolarHBondContact CD2-ND2 3.25Å; F312-N316 HydrophobicContact CE2-CB 4.39Å; F312-N316 WeakPolarHBondContact CE2-ND2 3.26Å; F312-N316 HydrophobicContact CZ-CB 4.38Å; F312-N316 PolarHBondContact O-N 3.29Å; F312-N316 VanDerWaalsContact O-N 3.14Å; F312-N316 PolarHBondContact O-ND2 3.41Å; V313-N316 CarbonylContact O-C 3.54Å; V313-N316 PolarHBondContact O-N 3.07Å; V313-N316 VanDerWaalsContact O-N 3.16Å; V313-N316 VanDerWaalsContact O-O 3.1Å; N316-S318 VanDerWaalsContact C-N 3.32Å; N316-S318 PolarHBondContact O-N 3.22Å; N316-V319 HydrophobicContact CB-CB 4.17Å; N316-V319 HydrophobicContact CB-CG2 4.08Å; N316-V319 PolarHBondContact O-N 2.9Å; N316-L320 PolarHBondContact O-N 3.46Å; N316-L320 VanDerWaalsContact O-N 3.09Å
317P83.9Confident84Confident95 Ų9539.5 Ų39.562%0.61722%0.215SC*.Hα-helixtrans-58.7-36.7-175.5-26.635.2000114.4L320 Q321P317-L320 PolarHBondContact O-N 3.02Å; P317-Q321 WeakPolarHBondContact O-CG 3.42Å; P317-Q321 PolarHBondContact O-N 3.49Å
318S84.1Confident84.1Confident53 Ų5338.2 Ų38.237%0.37121%0.21SC..Hα-helixtrans-62.8-47.3179.758.40000111.6E267 N316 Q321 G322E267-S318 VanDerWaalsContact OE2-CB 3.31Å; E267-S318 WeakPolarHBondContact OE2-CB 3.34Å; E267-S318 PolarHBondContact OE2-OG 3.28Å; N316-S318 VanDerWaalsContact C-N 3.32Å; N316-S318 PolarHBondContact O-N 3.22Å; S318-Q321 PolarHBondContact O-N 3.49Å; S318-G322 PolarHBondContact O-N 3.35Å
319V85.8Confident84Confident0 Ų038.5 Ų38.50%021%0.211CC..Hα-helixtrans-62.9-45.3177-179.60000111.3L251 A266 L270 F312 V313 N316 Q321 G322 L323L251-V319 HydrophobicContact CD2-CG1 4.27Å; A266-V319 HydrophobicContact CB-CG1 4.34Å; A266-V319 HydrophobicContact CB-CG2 4.24Å; L270-V319 HydrophobicContact CD1-CG1 3.97Å; L270-V319 WeakPolarHBondContact CD1-O 3.37Å; F312-V319 HydrophobicContact CE1-CG1 4.25Å; F312-V319 HydrophobicContact CZ-CG2 4.37Å; V313-V319 HydrophobicContact CG2-CG1 4.31Å; N316-V319 HydrophobicContact CB-CB 4.17Å; N316-V319 HydrophobicContact CB-CG2 4.08Å; N316-V319 PolarHBondContact O-N 2.9Å; V319-Q321 VanDerWaalsContact C-N 3.33Å; V319-Q321 PolarHBondContact O-N 2.94Å; V319-G322 PolarHBondContact O-N 3.04Å; V319-L323 HydrophobicContact CG1-CD1 4.22Å; V319-L323 WeakPolarHBondContact O-CG 3.4Å; V319-L323 PolarHBondContact O-N 3.38Å
320L87.8Confident84.2Confident19 Ų1935.7 Ų35.710%0.09920%0.196CC..Hα-helixtrans-59.3-43.9176.3176.761000111.5I308 V313 N316 P317 L323 L324I308-L320 HydrophobicContact CG2-CD1 4.21Å; V313-L320 HydrophobicContact CG1-CB 3.83Å; V313-L320 HydrophobicContact CG1-CD1 3.77Å; V313-L320 HydrophobicContact CG1-CG 4.37Å; N316-L320 PolarHBondContact O-N 3.46Å; N316-L320 VanDerWaalsContact O-N 3.09Å; P317-L320 PolarHBondContact O-N 3.02Å; L320-L323 PolarHBondContact O-N 3.17Å; L320-L324 HydrophobicContact CD1-CD1 4.21Å; L320-L324 HydrophobicContact CD1-CG 4.19Å; L320-L324 HydrophobicContact CG-CD1 4.17Å; L320-L324 VanDerWaalsContact O-CG 3.27Å; L320-L324 WeakPolarHBondContact O-CG 3.35Å; L320-L324 PolarHBondContact O-N 2.88Å
321Q86.9Confident84.1Confident67 Ų6734.9 Ų34.931%0.31319%0.19SC..Hα-helixtrans-64.6-44.7178.1-69-67.8-16.200112.1P317 S318 V319 L323 L324 R325 K371P317-Q321 WeakPolarHBondContact O-CG 3.42Å; P317-Q321 PolarHBondContact O-N 3.49Å; S318-Q321 PolarHBondContact O-N 3.49Å; V319-Q321 VanDerWaalsContact C-N 3.33Å; V319-Q321 PolarHBondContact O-N 2.94Å; Q321-L323 VanDerWaalsContact C-N 3.31Å; Q321-L323 PolarHBondContact O-N 2.65Å; Q321-L324 PolarHBondContact O-N 3.46Å; Q321-R325 WeakPolarHBondContact O-CG 3.48Å; Q321-R325 PolarHBondContact O-N 2.69Å; Q321-R325 VanDerWaalsContact O-N 3.08Å; Q321-K371 VanDerWaalsContact NE2-CE 3.27Å; Q321-K371 VanDerWaalsContact NE2-NZ 3.1Å
322G86Confident84.2Confident11 Ų1129.4 Ų29.411%0.11316%0.156CC..Hα-helixtrans-58.8-41.917600000112.3S318 V319 R325 I326S318-G322 PolarHBondContact O-N 3.35Å; V319-G322 PolarHBondContact O-N 3.04Å; G322-R325 PolarHBondContact O-N 3.28Å; G322-I326 PolarHBondContact O-N 3.11Å
323L88.1Confident83.7Confident1 Ų130.1 Ų30.11%0.00517%0.169CC..Hα-helixtrans-61.1-47.6174.5-74.6170.9000112.3L247 L270 L304 V313 V319 L320 Q321 R325 I326 I327L247-L323 HydrophobicContact CD2-CD2 4.14Å; L270-L323 HydrophobicContact CD1-CG 4.18Å; L270-L323 HydrophobicContact CD2-CD2 3.85Å; L270-L323 HydrophobicContact CD2-CG 4.2Å; L304-L323 HydrophobicContact CD2-CD2 3.83Å; V313-L323 HydrophobicContact CB-CD1 4.46Å; V313-L323 HydrophobicContact CG1-CD1 3.67Å; V313-L323 HydrophobicContact CG2-CD1 3.86Å; V319-L323 HydrophobicContact CG1-CD1 4.22Å; V319-L323 WeakPolarHBondContact O-CG 3.4Å; V319-L323 PolarHBondContact O-N 3.38Å; L320-L323 PolarHBondContact O-N 3.17Å; Q321-L323 VanDerWaalsContact C-N 3.31Å; Q321-L323 PolarHBondContact O-N 2.65Å; L323-R325 PolarHBondContact O-N 3.01Å; L323-I326 PolarHBondContact O-N 2.97Å; L323-I327 HydrophobicContact CB-CD1 4.5Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.34Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 2.98Å
324L88.1Confident83.6Confident5 Ų533.2 Ų33.23%0.02618%0.184CC..Hα-helixtrans-64-27.7-179.2-67.2175000113I308 L320 Q321 P328 C368 K371 I372I308-L324 HydrophobicContact CD1-CD2 4.13Å; L320-L324 HydrophobicContact CD1-CD1 4.21Å; L320-L324 HydrophobicContact CD1-CG 4.19Å; L320-L324 HydrophobicContact CG-CD1 4.17Å; L320-L324 VanDerWaalsContact O-CG 3.27Å; L320-L324 WeakPolarHBondContact O-CG 3.35Å; L320-L324 PolarHBondContact O-N 2.88Å; Q321-L324 PolarHBondContact O-N 3.46Å; L324-P328 VanDerWaalsContact O-CD 3.23Å; L324-P328 WeakPolarHBondContact O-CD 3.39Å; L324-C368 HydrophobicContact CD1-CB 4.13Å; L324-C368 HydrophobicContact CD2-CB 3.74Å; L324-K371 HydrophobicContact CD1-CB 4.16Å; L324-K371 HydrophobicContact CD1-CD 3.8Å; L324-I372 HydrophobicContact CB-CG1 4.42Å; L324-I372 HydrophobicContact CD2-CD1 3.87Å; L324-I372 HydrophobicContact CD2-CG1 4.01Å
325R86.9Confident83.6Confident132 Ų13232.9 Ų32.950%0.49819%0.19SC..Hα-helixtrans-74.2-38.7173.9-69.7-179.9-174.6-179.7-0.3112.5E274 Q321 G322 L323 P328 Y329E274-R325 WeakPolarHBondContact OE1-CD 3.48Å; E274-R325 IonicContact OE1-NH1 3.61Å; E274-R325 PolarHBondContact OE1-NH1 3.37Å; E274-R325 VanDerWaalsContact OE2-CD 3.25Å; E274-R325 WeakPolarHBondContact OE2-CD 3.39Å; E274-R325 IonicContact OE2-NH1 3.98Å; E274-R325 PolarHBondContact OE2-NH1 3.06Å; E274-R325 VanDerWaalsContact OE2-NH1 3.08Å; Q321-R325 WeakPolarHBondContact O-CG 3.48Å; Q321-R325 PolarHBondContact O-N 2.69Å; Q321-R325 VanDerWaalsContact O-N 3.08Å; G322-R325 PolarHBondContact O-N 3.28Å; L323-R325 PolarHBondContact O-N 3.01Å; R325-P328 WeakPolarHBondContact O-CD 3.42Å; R325-Y329 WeakPolarHBondContact O-CD2 3.45Å; R325-Y329 VanDerWaalsContact O-CE2 3.3Å; R325-Y329 WeakPolarHBondContact O-CE2 3.45Å
326I86.4Confident83.8Confident2 Ų234.1 Ų34.11%0.0119%0.187CC..Hα-helixtrans-80-36.8-176.4-74165.4000113L270 M273 L277 G322 L323 P328 Y329 L330L270-I326 HydrophobicContact CB-CD1 3.99Å; L270-I326 HydrophobicContact CD2-CD1 3.46Å; L270-I326 VanDerWaalsContact CD2-CD1 3.46Å; L270-I326 HydrophobicContact CG-CD1 4.32Å; L270-I326 VanDerWaalsContact O-CD1 3.29Å; L270-I326 WeakPolarHBondContact O-CD1 3.32Å; M273-I326 HydrophobicContact CB-CD1 3.69Å; M273-I326 HydrophobicContact CE-CD1 4.34Å; M273-I326 HydrophobicContact CE-CG2 4.06Å; L277-I326 HydrophobicContact CD1-CB 4.44Å; L277-I326 HydrophobicContact CD1-CG1 4.2Å; L277-I326 HydrophobicContact CD1-CG2 3.7Å; G322-I326 PolarHBondContact O-N 3.11Å; L323-I326 PolarHBondContact O-N 2.97Å; I326-P328 VanDerWaalsContact C-CD 3.5Å; I326-P328 VanDerWaalsContact C-N 3.33Å; I326-Y329 WeakPolarHBondContact O-CB 3.37Å; I326-Y329 PolarHBondContact O-N 3.15Å; I326-L330 HydrophobicContact CG2-CD1 3.89Å; I326-L330 HydrophobicContact CG2-CD2 4.3Å; I326-L330 HydrophobicContact CG2-CG 3.88Å; I326-L330 PolarHBondContact O-N 3.16Å
327I86.8Confident83.9Confident0 Ų032.7 Ų32.70%018%0.179CC..Hα-helixtrans-50-44.7-175.4-79165.1000113.5L301 L305 I308 L323 Y329 L330 L341L301-I327 HydrophobicContact CD1-CG2 4.22Å; L305-I327 HydrophobicContact CD2-CD1 4.21Å; L305-I327 HydrophobicContact CD2-CG2 4.02Å; I308-I327 HydrophobicContact CD1-CD1 3.77Å; I308-I327 HydrophobicContact CG1-CD1 4.32Å; L323-I327 HydrophobicContact CB-CD1 4.5Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.34Å; L323-I327 WeakPolarHBondContact O-CG1 3.34Å; L323-I327 PolarHBondContact O-N 2.98Å; I327-Y329 PolarHBondContact O-N 3.01Å; I327-L330 PolarHBondContact O-N 3.47Å; I327-L341 HydrophobicContact CG2-CD1 3.48Å; I327-L341 VanDerWaalsContact CG2-CD1 3.48Å; I327-L341 HydrophobicContact CG2-CD2 4.32Å
328P84.4Confident84.1Confident3 Ų328.2 Ų28.22%0.01915%0.15CC..Hα-helixtrans-58.4-45.2175.3-27.137000113L324 R325 I326 L330 S331 F332 I372 L385L324-P328 VanDerWaalsContact O-CD 3.23Å; L324-P328 WeakPolarHBondContact O-CD 3.39Å; R325-P328 WeakPolarHBondContact O-CD 3.42Å; I326-P328 VanDerWaalsContact C-CD 3.5Å; I326-P328 VanDerWaalsContact C-N 3.33Å; P328-L330 VanDerWaalsContact C-N 3.28Å; P328-L330 PolarHBondContact O-N 2.89Å; P328-S331 PolarHBondContact O-N 3.28Å; P328-S331 PolarHBondContact O-OG 2.92Å; P328-F332 HydrophobicContact CB-CE1 4.02Å; P328-F332 HydrophobicContact CB-CZ 3.93Å; P328-F332 WeakPolarHBondContact O-CD1 3.44Å; P328-F332 WeakPolarHBondContact O-CE1 3.33Å; P328-F332 WeakPolarHBondContact O-CG 3.29Å; P328-F332 PolarHBondContact O-N 3.43Å; P328-I372 HydrophobicContact CG-CG2 3.93Å; P328-L385 HydrophobicContact CB-CD2 4.42Å
329Y80.8Confident84.3Confident7 Ų729 Ų293%0.02715%0.147CC..Hα-helixtrans-59.5-38-179.8-68.7-83.8000112.7L277 D278 N281 R325 I326 I327 S331 F332 K377L277-Y329 HydrophobicContact CB-CD1 4.07Å; L277-Y329 HydrophobicContact CB-CG 3.99Å; D278-Y329 PolarHBondContact OD1-OH 3.27Å; N281-Y329 HydrophobicContact CB-CD1 4.35Å; N281-Y329 HydrophobicContact CB-CE1 4.22Å; N281-Y329 WeakPolarHBondContact ND2-CD1 3.44Å; R325-Y329 WeakPolarHBondContact O-CD2 3.45Å; R325-Y329 VanDerWaalsContact O-CE2 3.3Å; R325-Y329 WeakPolarHBondContact O-CE2 3.45Å; I326-Y329 WeakPolarHBondContact O-CB 3.37Å; I326-Y329 PolarHBondContact O-N 3.15Å; I327-Y329 PolarHBondContact O-N 3.01Å; Y329-S331 PolarHBondContact O-N 3.37Å; Y329-F332 AromaticContact CD1-CD2 3.92Å; Y329-F332 HydrophobicContact CD1-CD2 3.92Å; Y329-F332 AromaticContact CD1-CE2 3.86Å; Y329-F332 HydrophobicContact CD1-CE2 3.86Å; Y329-F332 HydrophobicContact CE1-CE2 4.27Å; Y329-F332 HydrophobicContact CG-CD2 4.4Å; Y329-F332 HydrophobicContact CG-CE2 4.29Å; Y329-F332 WeakPolarHBondContact O-CB 3.41Å; Y329-F332 PolarHBondContact O-N 3.2Å; Y329-F332 VanDerWaalsContact O-N 3.17Å; Y329-K377 HydrophobicContact CE1-CG 4.37Å; Y329-K377 WeakPolarHBondContact OH-CE 3.29Å; Y329-K377 WeakPolarHBondContact OH-CG 3.23Å
330L81.3Confident84.4Confident0 Ų030.7 Ų30.70%016%0.156CC..Hα-helixtrans-66.5-17.6178-60.4178.9000113.3L240 L277 L301 L304 I326 I327 P328L240-L330 HydrophobicContact CD1-CD2 3.91Å; L240-L330 HydrophobicContact CD2-CD2 3.72Å; L240-L330 HydrophobicContact CG-CD2 4.33Å; L277-L330 HydrophobicContact CD1-CD2 4.42Å; L301-L330 HydrophobicContact CD1-CB 4.25Å; L304-L330 HydrophobicContact CD1-CD1 3.33Å; I326-L330 HydrophobicContact CG2-CD1 3.89Å; I326-L330 HydrophobicContact CG2-CD2 4.3Å; I326-L330 HydrophobicContact CG2-CG 3.88Å; I326-L330 PolarHBondContact O-N 3.16Å; I327-L330 PolarHBondContact O-N 3.47Å; P328-L330 VanDerWaalsContact C-N 3.28Å; P328-L330 PolarHBondContact O-N 2.89Å
331S81.4Confident84.5Confident0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-97.4-13.3176.874.40000113.9P328 Y329 E334 M338P328-S331 PolarHBondContact O-N 3.28Å; P328-S331 PolarHBondContact O-OG 2.92Å; Y329-S331 PolarHBondContact O-N 3.37Å; S331-E334 PolarHBondContact O-N 2.72Å; S331-M338 WeakPolarHBondContact O-CG 3.49Å
332F80.3Confident84.7Confident1 Ų126.8 Ų26.80%0.00414%0.137CC..THydrogen-bonded Turntrans-65.1142.2-173.8-74.7-8.4000113N281 T295 P328 Y329 E334 M338 N381 L385N281-F332 WeakPolarHBondContact OD1-CD2 3.49Å; T295-F332 WeakPolarHBondContact CG2-O 3.36Å; P328-F332 HydrophobicContact CB-CE1 4.02Å; P328-F332 HydrophobicContact CB-CZ 3.93Å; P328-F332 WeakPolarHBondContact O-CD1 3.44Å; P328-F332 WeakPolarHBondContact O-CE1 3.33Å; P328-F332 WeakPolarHBondContact O-CG 3.29Å; P328-F332 PolarHBondContact O-N 3.43Å; Y329-F332 AromaticContact CD1-CD2 3.92Å; Y329-F332 HydrophobicContact CD1-CD2 3.92Å; Y329-F332 AromaticContact CD1-CE2 3.86Å; Y329-F332 HydrophobicContact CD1-CE2 3.86Å; Y329-F332 HydrophobicContact CE1-CE2 4.27Å; Y329-F332 HydrophobicContact CG-CD2 4.4Å; Y329-F332 HydrophobicContact CG-CE2 4.29Å; Y329-F332 WeakPolarHBondContact O-CB 3.41Å; Y329-F332 PolarHBondContact O-N 3.2Å; Y329-F332 VanDerWaalsContact O-N 3.17Å; F332-E334 PolarHBondContact O-N 3.18Å; F332-M338 HydrophobicContact CD1-CE 4.11Å; F332-N381 HydrophobicContact CB-CB 3.62Å; F332-N381 HydrophobicContact CD1-CB 3.99Å; F332-N381 HydrophobicContact CD2-CB 3.95Å; F332-N381 HydrophobicContact CG-CB 3.59Å; F332-L385 HydrophobicContact CE1-CB 4.32Å; F332-L385 HydrophobicContact CE1-CD2 3.89Å
333G70.4Confident84.8Confident35 Ų3530.9 Ų30.936%0.36115%0.153SC..THydrogen-bonded Turntrans76.5-12.9-17700000116.1N381G333-N381 PolarHBondContact N-OD1 3.13Å
334E80.7Confident84.9Confident65 Ų6534.9 Ų34.930%0.30417%0.169SC..  trans-121.9105.3-179.1-77.2-172.9-126.700113T295 S331 F332 E336 K337 M338T295-E334 VanDerWaalsContact CB-OE1 3.23Å; T295-E334 WeakPolarHBondContact CB-OE1 2.95Å; T295-E334 HydrophobicContact CG2-CG 4.44Å; T295-E334 PolarHBondContact OG1-OE1 2.98Å; S331-E334 PolarHBondContact O-N 2.72Å; F332-E334 PolarHBondContact O-N 3.18Å; E334-E336 VanDerWaalsContact C-N 3.28Å; E334-E336 PolarHBondContact O-N 3.36Å; E334-K337 HydrophobicContact CB-CB 4.14Å; E334-K337 HydrophobicContact CB-CD 4.02Å; E334-K337 HydrophobicContact CB-CG 4.16Å; E334-K337 HydrophobicContact CG-CD 4.5Å; E334-K337 PolarHBondContact O-N 2.96Å; E334-K337 VanDerWaalsContact O-N 3.08Å; E334-K337 IonicContact OE1-NZ 3.36Å; E334-K337 PolarHBondContact OE1-NZ 3.27Å; E334-K337 VanDerWaalsContact OE2-CD 3.29Å; E334-K337 WeakPolarHBondContact OE2-CD 3.05Å; E334-K337 WeakPolarHBondContact OE2-CE 3.38Å; E334-K337 IonicContact OE2-NZ 3.56Å; E334-K337 PolarHBondContact OE2-NZ 3.17Å; E334-M338 PolarHBondContact O-N 3.48Å
335V82Confident84.9Confident70 Ų7034.7 Ų34.742%0.42417%0.167SC..Hα-helixtrans-57.7-37.9-175.6-179.30000112.8M338 Q339V335-M338 PolarHBondContact O-N 2.69Å; V335-Q339 HydrophobicContact CG1-CG 4.44Å; V335-Q339 WeakPolarHBondContact O-CB 3.47Å; V335-Q339 VanDerWaalsContact O-CG 3.26Å; V335-Q339 WeakPolarHBondContact O-CG 3.36Å; V335-Q339 PolarHBondContact O-N 3.31Å
336E84.6Confident85.1Confident108 Ų10832.6 Ų32.651%0.50516%0.162SC..Hα-helixtrans-63.6-43.2178-169.6-177.116800111.7K298 E334 Q339 I340K298-E336 IonicContact NZ-OE1 2.7Å; K298-E336 PolarHBondContact NZ-OE1 3.45Å; E334-E336 VanDerWaalsContact C-N 3.28Å; E334-E336 PolarHBondContact O-N 3.36Å; E336-Q339 WeakPolarHBondContact O-CB 3.37Å; E336-Q339 PolarHBondContact O-N 3.24Å; E336-I340 HydrophobicContact CG-CD1 4.45Å; E336-I340 WeakPolarHBondContact O-CG1 3.39Å; E336-I340 PolarHBondContact O-N 3.46Å
337K85.1Confident85.2Confident13 Ų1336.9 Ų36.96%0.05719%0.19CC..Hα-helixtrans-67.8-41.4178.2-68.9179.2-175.5160.90111.7G296 L301 E334 Q339 I340 L341G296-K337 WeakPolarHBondContact O-CE 3.15Å; G296-K337 PolarHBondContact O-NZ 3.12Å; L301-K337 HydrophobicContact CD2-CB 3.79Å; L301-K337 HydrophobicContact CD2-CG 4.25Å; E334-K337 HydrophobicContact CB-CB 4.14Å; E334-K337 HydrophobicContact CB-CD 4.02Å; E334-K337 HydrophobicContact CB-CG 4.16Å; E334-K337 HydrophobicContact CG-CD 4.5Å; E334-K337 PolarHBondContact O-N 2.96Å; E334-K337 VanDerWaalsContact O-N 3.08Å; E334-K337 IonicContact OE1-NZ 3.36Å; E334-K337 PolarHBondContact OE1-NZ 3.27Å; E334-K337 VanDerWaalsContact OE2-CD 3.29Å; E334-K337 WeakPolarHBondContact OE2-CD 3.05Å; E334-K337 WeakPolarHBondContact OE2-CE 3.38Å; E334-K337 IonicContact OE2-NZ 3.56Å; E334-K337 PolarHBondContact OE2-NZ 3.17Å; K337-Q339 VanDerWaalsContact C-N 3.28Å; K337-Q339 PolarHBondContact O-N 2.71Å; K337-I340 PolarHBondContact O-N 3.24Å; K337-L341 PolarHBondContact O-N 2.65Å
338M87.4Confident85.2Confident1 Ų139.4 Ų39.41%0.00520%0.2CC..Hα-helixtrans-59.7-40.3172.2-64.5-174.5-179.500111.6S331 F332 E334 V335 L341 V342 Q384 L385 L388S331-M338 WeakPolarHBondContact O-CG 3.49Å; F332-M338 HydrophobicContact CD1-CE 4.11Å; E334-M338 PolarHBondContact O-N 3.48Å; V335-M338 PolarHBondContact O-N 2.69Å; M338-L341 PolarHBondContact O-N 2.66Å; M338-V342 WeakPolarHBondContact O-CG2 3.29Å; M338-V342 PolarHBondContact O-N 3.46Å; M338-Q384 HydrophobicContact CE-CB 4.26Å; M338-Q384 HydrophobicContact CE-CG 4.31Å; M338-Q384 HydrophobicContact SD-CB 4.35Å; M338-Q384 HydrophobicContact SD-CG 4Å; M338-L385 HydrophobicContact CB-CD1 3.97Å; M338-L385 HydrophobicContact CE-CB 4.49Å; M338-L385 HydrophobicContact CG-CD1 4.15Å; M338-L385 HydrophobicContact SD-CB 4.14Å; M338-L385 HydrophobicContact SD-CD1 4.46Å; M338-L388 VanDerWaalsContact C-CD2 3.49Å; M338-L388 HydrophobicContact CB-CD2 3.52Å
339Q88.4Confident85.4Confident69 Ų6939.4 Ų39.432%0.32220%0.2SC..Hα-helixtrans-63-44.2176.8-76.4177.510.300111.9V335 E336 K337 L341 V342 E343 L388V335-Q339 HydrophobicContact CG1-CG 4.44Å; V335-Q339 WeakPolarHBondContact O-CB 3.47Å; V335-Q339 VanDerWaalsContact O-CG 3.26Å; V335-Q339 WeakPolarHBondContact O-CG 3.36Å; V335-Q339 PolarHBondContact O-N 3.31Å; E336-Q339 WeakPolarHBondContact O-CB 3.37Å; E336-Q339 PolarHBondContact O-N 3.24Å; K337-Q339 VanDerWaalsContact C-N 3.28Å; K337-Q339 PolarHBondContact O-N 2.71Å; Q339-L341 VanDerWaalsContact C-N 3.32Å; Q339-L341 PolarHBondContact O-N 3.38Å; Q339-V342 PolarHBondContact O-N 3.29Å; Q339-E343 VanDerWaalsContact O-CB 3.26Å; Q339-E343 WeakPolarHBondContact O-CB 3.32Å; Q339-E343 VanDerWaalsContact O-CG 3.25Å; Q339-E343 WeakPolarHBondContact O-CG 3.36Å; Q339-E343 PolarHBondContact O-N 3.15Å; Q339-L388 HydrophobicContact CB-CD2 4.41Å; Q339-L388 HydrophobicContact CG-CD1 4.02Å; Q339-L388 HydrophobicContact CG-CD2 3.77Å; Q339-L388 HydrophobicContact CG-CG 4.48Å
340I88.7Confident85.8Confident35 Ų3542.9 Ų42.918%0.17922%0.219CC..Hα-helixtrans-58.6-45.6176.6-67.2162.9000110.8K298 V302 L305 E336 K337 E343 R344K298-I340 HydrophobicContact CD-CD1 3.88Å; K298-I340 VanDerWaalsContact CE-CD1 3.49Å; K298-I340 HydrophobicContact CG-CD1 3.78Å; V302-I340 HydrophobicContact CG2-CG2 4.08Å; L305-I340 HydrophobicContact CD1-CG2 4.47Å; E336-I340 HydrophobicContact CG-CD1 4.45Å; E336-I340 WeakPolarHBondContact O-CG1 3.39Å; E336-I340 PolarHBondContact O-N 3.46Å; K337-I340 PolarHBondContact O-N 3.24Å; I340-E343 PolarHBondContact O-N 3.27Å; I340-R344 WeakPolarHBondContact O-CB 3.43Å; I340-R344 PolarHBondContact O-N 2.97Å
341L89.3Confident86.4Confident3 Ų343.1 Ų43.12%0.01622%0.22CC..Hα-helixtrans-58.2-51.8177.1177.462.6000111.4L305 I327 K337 M338 Q339 E343 R344 F345 L385L305-L341 HydrophobicContact CD1-CD1 4.42Å; L305-L341 HydrophobicContact CD2-CD1 3.79Å; I327-L341 HydrophobicContact CG2-CD1 3.48Å; I327-L341 VanDerWaalsContact CG2-CD1 3.48Å; I327-L341 HydrophobicContact CG2-CD2 4.32Å; K337-L341 PolarHBondContact O-N 2.65Å; M338-L341 PolarHBondContact O-N 2.66Å; Q339-L341 VanDerWaalsContact C-N 3.32Å; Q339-L341 PolarHBondContact O-N 3.38Å; L341-E343 PolarHBondContact O-N 3.03Å; L341-R344 PolarHBondContact O-N 2.8Å; L341-F345 HydrophobicContact CD1-CD2 4.1Å; L341-F345 HydrophobicContact CD1-CE2 3.75Å; L341-F345 WeakPolarHBondContact O-CD2 3.25Å; L341-F345 PolarHBondContact O-N 2.88Å; L341-L385 HydrophobicContact CD2-CD1 4.31Å; L341-L385 HydrophobicContact CD2-CD2 4.12Å
342V90.8Very high86.8Confident1 Ų145.3 Ų45.31%0.00623%0.232CC..Hα-helixtrans-66.1-40.4-178.2177.80000111.5M338 Q339 R344 F345 K346 L385 L388 I389 K392 I394M338-V342 WeakPolarHBondContact O-CG2 3.29Å; M338-V342 PolarHBondContact O-N 3.46Å; Q339-V342 PolarHBondContact O-N 3.29Å; V342-R344 VanDerWaalsContact C-N 3.28Å; V342-R344 PolarHBondContact O-N 3.42Å; V342-F345 PolarHBondContact O-N 3.45Å; V342-K346 WeakPolarHBondContact O-CB 3.29Å; V342-K346 PolarHBondContact O-N 3.13Å; V342-L385 HydrophobicContact CG2-CD1 3.92Å; V342-L388 HydrophobicContact CG2-CD2 4.12Å; V342-L388 HydrophobicContact CG2-CG 4.39Å; V342-I389 HydrophobicContact CG1-CG1 4.34Å; V342-I389 HydrophobicContact CG2-CG1 3.63Å; V342-K392 HydrophobicContact CG1-CB 3.94Å; V342-K392 HydrophobicContact CG1-CG 3.85Å; V342-I394 HydrophobicContact CG1-CD1 3.72Å
343E89.4Confident87.3Confident97 Ų9751.6 Ų51.645%0.45326%0.259SS..Hα-helixtrans-67.2-28.8178.9-74.3178.6-178.200112.8Q339 I340 L341 P347 K392Q339-E343 VanDerWaalsContact O-CB 3.26Å; Q339-E343 WeakPolarHBondContact O-CB 3.32Å; Q339-E343 VanDerWaalsContact O-CG 3.25Å; Q339-E343 WeakPolarHBondContact O-CG 3.36Å; Q339-E343 PolarHBondContact O-N 3.15Å; I340-E343 PolarHBondContact O-N 3.27Å; L341-E343 PolarHBondContact O-N 3.03Å; E343-P347 VanDerWaalsContact O-CD 3.29Å; E343-P347 WeakPolarHBondContact O-CD 3.36Å; E343-K392 IonicContact OE1-NZ 2.7Å; E343-K392 PolarHBondContact OE1-NZ 3.35Å
344R88.9Confident88.3Confident85 Ų8550.5 Ų50.532%0.32124%0.244SC..Hα-helixtrans-66-39.1174.4-175.357.7169.8-160.4-11.8112.6L305 D306 I340 L341 V342L305-R344 HydrophobicContact CD1-CG 4.5Å; D306-R344 IonicContact OD1-CZ 2.7Å; D306-R344 IonicContact OD1-NH1 2.69Å; D306-R344 IonicContact OD1-NH2 3.79Å; D306-R344 PolarHBondContact OD1-NH2 3.41Å; I340-R344 WeakPolarHBondContact O-CB 3.43Å; I340-R344 PolarHBondContact O-N 2.97Å; L341-R344 PolarHBondContact O-N 2.8Å; V342-R344 VanDerWaalsContact C-N 3.28Å; V342-R344 PolarHBondContact O-N 3.42Å
345F89.4Confident88.7Confident1 Ų148.9 Ų48.90%0.00424%0.237CC..Hα-helixtrans-91.1-20.4-178.1-72.6-77.6000114L305 I308 L341 V342 P347 Y348 F365 C368 F369 I372L305-F345 HydrophobicContact CD2-CE2 4.02Å; L305-F345 HydrophobicContact CD2-CZ 4.49Å; I308-F345 HydrophobicContact CD1-CZ 4.36Å; L341-F345 HydrophobicContact CD1-CD2 4.1Å; L341-F345 HydrophobicContact CD1-CE2 3.75Å; L341-F345 WeakPolarHBondContact O-CD2 3.25Å; L341-F345 PolarHBondContact O-N 2.88Å; V342-F345 PolarHBondContact O-N 3.45Å; F345-P347 VanDerWaalsContact C-CD 3.41Å; F345-Y348 PolarHBondContact O-N 3.32Å; F345-Y348 VanDerWaalsContact O-N 3.13Å; F345-F365 HydrophobicContact CD1-CD1 4.12Å; F345-F365 AromaticContact CE1-CD1 3.75Å; F345-F365 HydrophobicContact CE1-CD1 3.75Å; F345-F365 HydrophobicContact CE1-CE1 4.41Å; F345-C368 HydrophobicContact CE1-CB 4.15Å; F345-F369 HydrophobicContact CB-CB 4.29Å; F345-F369 HydrophobicContact CB-CD1 4.28Å; F345-F369 HydrophobicContact CB-CD2 3.52Å; F345-F369 HydrophobicContact CB-CE2 3.85Å; F345-F369 HydrophobicContact CB-CG 3.77Å; F345-F369 HydrophobicContact CB-CZ 4.36Å; F345-F369 HydrophobicContact CD1-CB 3.6Å; F345-F369 AromaticContact CD1-CD2 3.97Å; F345-F369 HydrophobicContact CD1-CD2 3.97Å; F345-F369 AromaticContact CD1-CG 3.99Å; F345-F369 HydrophobicContact CD1-CG 3.99Å; F345-F369 AromaticContact CD2-CD2 3.75Å; F345-F369 HydrophobicContact CD2-CD2 3.75Å; F345-F369 HydrophobicContact CD2-CE2 4.28Å; F345-F369 HydrophobicContact CE1-CB 4.07Å; F345-F369 HydrophobicContact CE2-CD2 4.46Å; F345-F369 HydrophobicContact CG-CB 4.01Å; F345-F369 AromaticContact CG-CD2 3.47Å; F345-F369 HydrophobicContact CG-CD2 3.47Å; F345-F369 VanDerWaalsContact CG-CD2 3.47Å; F345-F369 HydrophobicContact CG-CE2 4.17Å; F345-F369 AromaticContact CG-CG 3.87Å; F345-F369 HydrophobicContact CG-CG 3.87Å; F345-I372 HydrophobicContact CE2-CD1 3.59Å; F345-I372 HydrophobicContact CZ-CD1 3.58Å
346K89.4Confident89Confident88 Ų8853.3 Ų53.338%0.38325%0.254SS..G310 helixtrans-52.1-41.6-178.7-173.3176.6-177.4174.90114.9V342 Y348 C349 K392 I394V342-K346 WeakPolarHBondContact O-CB 3.29Å; V342-K346 PolarHBondContact O-N 3.13Å; K346-Y348 PolarHBondContact O-N 3.48Å; K346-C349 PolarHBondContact O-N 3.33Å; K346-C349 VanDerWaalsContact O-N 3.1Å; K346-K392 WeakPolarHBondContact CE-O 3.43Å; K346-K392 PolarHBondContact NZ-O 3Å; K346-I394 HydrophobicContact CB-CD1 4.42Å; K346-I394 HydrophobicContact CG-CG1 4.46Å
347P88.6Confident89Confident92 Ų9254.2 Ų54.260%0.59726%0.262SS*.G310 helixtrans-60.3-29.1-179.7-25.435.8000114.1E343 F345 C349E343-P347 VanDerWaalsContact O-CD 3.29Å; E343-P347 WeakPolarHBondContact O-CD 3.36Å; F345-P347 VanDerWaalsContact C-CD 3.41Å; P347-C349 VanDerWaalsContact C-N 3.34Å
348Y87.1Confident89.2Confident54 Ų5457 Ų5721%0.21228%0.275CS..G310 helixtrans-83.3-11-179.4-55.3-81000113F345 K346 N350 D362 F365F345-Y348 PolarHBondContact O-N 3.32Å; F345-Y348 VanDerWaalsContact O-N 3.13Å; K346-Y348 PolarHBondContact O-N 3.48Å; Y348-N350 PolarHBondContact O-N 2.85Å; Y348-D362 HydrophobicContact CD1-CB 4.26Å; Y348-D362 VanDerWaalsContact CD1-OD1 3.26Å; Y348-D362 WeakPolarHBondContact CD1-OD1 3.36Å; Y348-D362 WeakPolarHBondContact CE1-OD1 3.48Å; Y348-F365 HydrophobicContact CD1-CB 3.87Å; Y348-F365 HydrophobicContact CD1-CG 4.36Å; Y348-F365 HydrophobicContact CD2-CB 4.02Å; Y348-F365 HydrophobicContact CD2-CD1 4.31Å; Y348-F365 HydrophobicContact CD2-CG 4.21Å; Y348-F365 HydrophobicContact CE1-CB 4.01Å; Y348-F365 AromaticContact CE1-CD2 3.95Å; Y348-F365 HydrophobicContact CE1-CD2 3.95Å; Y348-F365 HydrophobicContact CE1-CG 4.01Å; Y348-F365 HydrophobicContact CE2-CB 4.17Å; Y348-F365 AromaticContact CE2-CD1 3.89Å; Y348-F365 HydrophobicContact CE2-CD1 3.89Å; Y348-F365 HydrophobicContact CE2-CD2 4.34Å; Y348-F365 HydrophobicContact CE2-CE1 4.4Å; Y348-F365 AromaticContact CE2-CG 3.87Å; Y348-F365 HydrophobicContact CE2-CG 3.87Å; Y348-F365 HydrophobicContact CG-CB 3.87Å; Y348-F365 HydrophobicContact CG-CG 4.44Å; Y348-F365 AromaticContact CZ-CD2 3.77Å; Y348-F365 AromaticContact CZ-CG 3.75Å
349C89.1Confident89.2Confident2 Ų259.3 Ų59.31%0.01429%0.292CS..G310 helixtrans-88.422.3178.4-60.20000112.9K346 P347 F351 I394K346-C349 PolarHBondContact O-N 3.33Å; K346-C349 VanDerWaalsContact O-N 3.1Å; P347-C349 VanDerWaalsContact C-N 3.34Å; C349-F351 HydrophobicContact CB-CZ 4.21Å; C349-F351 WeakPolarHBondContact O-CE2 3.49Å; C349-F351 PolarHBondContact O-N 3.42Å; C349-I394 HydrophobicContact CB-CG1 4.5Å; C349-I394 HydrophobicContact CB-CG2 4Å
350N90.2Very high88.9Confident81 Ų8158.6 Ų58.643%0.43330%0.303SS..  trans-92.186.4168.2-173-22.3000109.2Y348 D352 K353 Y354Y348-N350 PolarHBondContact O-N 2.85Å; N350-D352 VanDerWaalsContact C-N 3.35Å; N350-D352 PolarHBondContact O-N 3.15Å; N350-K353 HydrophobicContact CB-CB 4.12Å; N350-K353 PolarHBondContact O-N 3.32Å; N350-K353 WeakPolarHBondContact OD1-CB 3.4Å; N350-K353 PolarHBondContact OD1-N 3.15Å; N350-K353 VanDerWaalsContact OD1-N 3.14Å; N350-Y354 PolarHBondContact O-N 3.04Å
351F93.5Very high88.5Confident5 Ų560.5 Ų60.52%0.02231%0.313CS..Hα-helixtrans-66.5-32.6-172.5-54.5-67000113.9C349 Y354 D355 L366 N397 A398 Y401 A425 I429 L432C349-F351 HydrophobicContact CB-CZ 4.21Å; C349-F351 WeakPolarHBondContact O-CE2 3.49Å; C349-F351 PolarHBondContact O-N 3.42Å; F351-Y354 PolarHBondContact O-N 3Å; F351-D355 PolarHBondContact O-N 3.17Å; F351-D355 VanDerWaalsContact O-N 3.16Å; F351-L366 HydrophobicContact CE1-CD1 4.24Å; F351-N397 HydrophobicContact CE2-CB 4.43Å; F351-A398 HydrophobicContact CD2-CB 4.42Å; F351-A398 HydrophobicContact CE2-CB 3.64Å; F351-A398 HydrophobicContact CZ-CB 4.11Å; F351-Y401 HydrophobicContact CB-CD2 3.44Å; F351-Y401 VanDerWaalsContact CB-CD2 3.44Å; F351-Y401 HydrophobicContact CB-CE2 3.81Å; F351-Y401 HydrophobicContact CB-CG 3.84Å; F351-A425 HydrophobicContact CB-CB 3.95Å; F351-A425 HydrophobicContact CD1-CB 4.19Å; F351-I429 HydrophobicContact CB-CD1 3.88Å; F351-I429 HydrophobicContact CB-CG1 4.49Å; F351-I429 HydrophobicContact CD1-CD1 3.81Å; F351-I429 HydrophobicContact CD1-CG1 3.47Å; F351-I429 VanDerWaalsContact CD1-CG1 3.47Å; F351-I429 HydrophobicContact CD2-CD1 4Å; F351-I429 HydrophobicContact CD2-CG1 4.04Å; F351-I429 HydrophobicContact CE1-CD1 4.35Å; F351-I429 HydrophobicContact CE1-CG1 3.54Å; F351-I429 HydrophobicContact CE2-CG1 4.12Å; F351-I429 HydrophobicContact CG-CD1 3.6Å; F351-I429 HydrophobicContact CG-CG1 3.73Å; F351-I429 HydrophobicContact CZ-CG1 3.88Å; F351-L432 HydrophobicContact CZ-CD2 4.08Å
352D90.4Very high88.3Confident46 Ų4662.4 Ų62.425%0.24632%0.323CS..Hα-helixtrans-62.7-48.6173.7-84.2-54.7000110.5N350 Y354 D355 E356 K404 H405N350-D352 VanDerWaalsContact C-N 3.35Å; N350-D352 PolarHBondContact O-N 3.15Å; D352-Y354 VanDerWaalsContact C-N 3.32Å; D352-Y354 PolarHBondContact O-N 3.25Å; D352-D355 PolarHBondContact O-N 3.14Å; D352-E356 PolarHBondContact O-N 2.75Å; D352-K404 IonicContact OD1-NZ 2.83Å; D352-K404 PolarHBondContact OD1-NZ 3.24Å; D352-K404 IonicContact OD2-NZ 3.71Å; D352-K404 PolarHBondContact OD2-NZ 3.45Å; D352-H405 IonicContact OD1-CD2 3.81Å; D352-H405 IonicContact OD1-CE1 3.59Å; D352-H405 IonicContact OD1-NE2 3.27Å; D352-H405 PolarHBondContact OD1-NE2 3.29Å
353K89.3Confident88.1Confident133 Ų13368 Ų6858%0.57835%0.348SS*.Hα-helixtrans-63.8-39.3177.5-172.9-175.9176.2-168.70111.6N350 D355 E356 D357N350-K353 HydrophobicContact CB-CB 4.12Å; N350-K353 PolarHBondContact O-N 3.32Å; N350-K353 WeakPolarHBondContact OD1-CB 3.4Å; N350-K353 PolarHBondContact OD1-N 3.15Å; N350-K353 VanDerWaalsContact OD1-N 3.14Å; K353-D355 VanDerWaalsContact C-N 3.32Å; K353-D355 PolarHBondContact O-N 3.15Å; K353-E356 PolarHBondContact O-N 3.18Å; K353-E356 VanDerWaalsContact O-N 3.13Å; K353-D357 PolarHBondContact O-N 3.18Å; K353-D357 VanDerWaalsContact O-O 3.11Å
354Y91.1Very high87.9Confident11 Ų1165.7 Ų65.74%0.04334%0.34CS..Hα-helixtrans-61.4-38.5179.5-173.6-85.2000112.7N350 F351 D352 E356 H358 D362 K363 L366 P424 A425 F428N350-Y354 PolarHBondContact O-N 3.04Å; F351-Y354 PolarHBondContact O-N 3Å; D352-Y354 VanDerWaalsContact C-N 3.32Å; D352-Y354 PolarHBondContact O-N 3.25Å; Y354-E356 VanDerWaalsContact C-N 3.33Å; Y354-H358 HydrophobicContact CD1-CB 4.4Å; Y354-H358 HydrophobicContact CD2-CB 3.69Å; Y354-H358 HydrophobicContact CE1-CB 4.4Å; Y354-H358 HydrophobicContact CE2-CB 3.69Å; Y354-H358 HydrophobicContact CG-CB 4.05Å; Y354-H358 AromaticContact CZ-CD2 3.87Å; Y354-H358 AromaticContact CZ-CG 3.82Å; Y354-H358 WeakPolarHBondContact O-CB 3.45Å; Y354-H358 PolarHBondContact O-ND1 2.81Å; Y354-D362 HydrophobicContact CD2-CB 4.21Å; Y354-D362 HydrophobicContact CE2-CB 3.96Å; Y354-K363 WeakPolarHBondContact OH-CA 3.12Å; Y354-K363 WeakPolarHBondContact OH-CB 3.41Å; Y354-K363 WeakPolarHBondContact OH-CG 3.25Å; Y354-L366 HydrophobicContact CD2-CD2 4.16Å; Y354-L366 HydrophobicContact CE2-CD2 4.04Å; Y354-P424 HydrophobicContact CD1-CB 4.21Å; Y354-P424 HydrophobicContact CE1-CB 3.78Å; Y354-A425 HydrophobicContact CD1-CB 3.91Å; Y354-F428 HydrophobicContact CE1-CD2 4.34Å; Y354-F428 HydrophobicContact CE1-CE2 4.23Å; Y354-F428 WeakPolarHBondContact OH-CE2 3.48Å
355D90.1Very high87.8Confident31 Ų3161.8 Ų61.817%0.16633%0.325CS..Hα-helixtrans-69.7-29.3175.1-84.2-5000113.2F351 D352 K353 Y401 R423 P424 A425F351-D355 PolarHBondContact O-N 3.17Å; F351-D355 VanDerWaalsContact O-N 3.16Å; D352-D355 PolarHBondContact O-N 3.14Å; K353-D355 VanDerWaalsContact C-N 3.32Å; K353-D355 PolarHBondContact O-N 3.15Å; D355-Y401 WeakPolarHBondContact OD2-CE2 3.44Å; D355-Y401 PolarHBondContact OD2-OH 2.94Å; D355-R423 WeakPolarHBondContact OD2-CD 3.3Å; D355-R423 IonicContact OD2-CZ 3.51Å; D355-R423 IonicContact OD2-NH1 3.19Å; D355-R423 PolarHBondContact OD2-NH1 3.5Å; D355-P424 WeakPolarHBondContact OD1-CD 3.45Å; D355-A425 VanDerWaalsContact OD1-CB 3.24Å; D355-A425 WeakPolarHBondContact OD1-CB 3.38Å; D355-A425 PolarHBondContact OD1-N 2.86Å
356E87.9Confident87.8Confident164 Ų16461.8 Ų61.877%0.76633%0.326SS*.Hα-helixtrans-78.8-47.8179.9-71176.5179.700112.1D352 K353 Y354D352-E356 PolarHBondContact O-N 2.75Å; K353-E356 PolarHBondContact O-N 3.18Å; K353-E356 VanDerWaalsContact O-N 3.13Å; Y354-E356 VanDerWaalsContact C-N 3.33Å
357D85.3Confident87.8Confident127 Ų12759.3 Ų59.368%0.67932%0.316SS*.SBendtrans-156.4115.9-177.8-173.519.1000109.9K353K353-D357 PolarHBondContact O-N 3.18Å; K353-D357 VanDerWaalsContact O-O 3.11Å
358H89.4Confident87.9Confident70 Ų7055 Ų5532%0.32429%0.288SS..  trans-135141.6174.865.3-88.5000111.3Y354 D362Y354-H358 HydrophobicContact CD1-CB 4.4Å; Y354-H358 HydrophobicContact CD2-CB 3.69Å; Y354-H358 HydrophobicContact CE1-CB 4.4Å; Y354-H358 HydrophobicContact CE2-CB 3.69Å; Y354-H358 HydrophobicContact CG-CB 4.05Å; Y354-H358 AromaticContact CZ-CD2 3.87Å; Y354-H358 AromaticContact CZ-CG 3.82Å; Y354-H358 WeakPolarHBondContact O-CB 3.45Å; Y354-H358 PolarHBondContact O-ND1 2.81Å; H358-D362 HydrophobicContact CB-CB 4.21Å
359S87.3Confident88.1Confident51 Ų5152.5 Ų52.536%0.35728%0.278SS..  trans-85.8164.7170.568.70000111.5D361 D362 K363S359-D361 PolarHBondContact O-N 3.43Å; S359-D361 PolarHBondContact OG-N 3.39Å; S359-D362 WeakPolarHBondContact CB-OD2 3.26Å; S359-D362 PolarHBondContact N-OD2 2.96Å; S359-D362 PolarHBondContact O-N 2.98Å; S359-D362 PolarHBondContact OG-N 3.25Å; S359-D362 VanDerWaalsContact OG-N 3.14Å; S359-D362 PolarHBondContact OG-OD2 3.37Å; S359-K363 PolarHBondContact O-N 3.06Å
360G81.4Confident88.3Confident54 Ų5452.6 Ų52.656%0.55728%0.279SS*.Hα-helixtrans-58.1-30.2170.100000112.6K363 V364G360-K363 PolarHBondContact O-N 3.43Å; G360-V364 WeakPolarHBondContact O-CG2 3.35Å; G360-V364 PolarHBondContact O-N 3.17Å
361D80.8Confident88.3Confident74 Ų7451.7 Ų51.740%0.39627%0.271SS..Hα-helixtrans-69.4-43.8176.7-78.623.7000111.5R314 S359 K363 V364 F365R314-D361 IonicContact CZ-OD1 3.64Å; R314-D361 IonicContact CZ-OD2 3.78Å; R314-D361 IonicContact NH1-OD1 2.8Å; R314-D361 PolarHBondContact NH1-OD1 3.11Å; R314-D361 IonicContact NH1-OD2 3.86Å; R314-D361 PolarHBondContact NH1-OD2 2.88Å; R314-D361 VanDerWaalsContact NH2-CG 3.26Å; R314-D361 IonicContact NH2-OD1 3.33Å; R314-D361 IonicContact NH2-OD2 2.6Å; R314-D361 PolarHBondContact NH2-OD2 2.98Å; S359-D361 PolarHBondContact O-N 3.43Å; S359-D361 PolarHBondContact OG-N 3.39Å; D361-K363 PolarHBondContact O-N 3.02Å; D361-V364 PolarHBondContact O-N 2.83Å; D361-V364 VanDerWaalsContact O-N 3.11Å; D361-F365 VanDerWaalsContact O-CD2 3.31Å; D361-F365 WeakPolarHBondContact O-CD2 3.17Å; D361-F365 PolarHBondContact O-N 3.46Å
362D85.2Confident88.1Confident44 Ų4451.5 Ų51.524%0.23527%0.271CS..Hα-helixtrans-58-40.2176.5-60.9-49.3000111.2Y348 Y354 H358 S359 F365 L366Y348-D362 HydrophobicContact CD1-CB 4.26Å; Y348-D362 VanDerWaalsContact CD1-OD1 3.26Å; Y348-D362 WeakPolarHBondContact CD1-OD1 3.36Å; Y348-D362 WeakPolarHBondContact CE1-OD1 3.48Å; Y354-D362 HydrophobicContact CD2-CB 4.21Å; Y354-D362 HydrophobicContact CE2-CB 3.96Å; H358-D362 HydrophobicContact CB-CB 4.21Å; S359-D362 WeakPolarHBondContact CB-OD2 3.26Å; S359-D362 PolarHBondContact N-OD2 2.96Å; S359-D362 PolarHBondContact O-N 2.98Å; S359-D362 PolarHBondContact OG-N 3.25Å; S359-D362 VanDerWaalsContact OG-N 3.14Å; S359-D362 PolarHBondContact OG-OD2 3.37Å; D362-F365 PolarHBondContact O-N 3.38Å; D362-L366 WeakPolarHBondContact O-CB 3.5Å; D362-L366 PolarHBondContact O-N 3.38Å
363K86.9Confident88.1Confident118 Ų11849.3 Ų49.351%0.51326%0.259SS..Hα-helixtrans-61.7-46175.4-175.3177.4-179.9175.80112Y354 S359 G360 D361 D367 F428Y354-K363 WeakPolarHBondContact OH-CA 3.12Å; Y354-K363 WeakPolarHBondContact OH-CB 3.41Å; Y354-K363 WeakPolarHBondContact OH-CG 3.25Å; S359-K363 PolarHBondContact O-N 3.06Å; G360-K363 PolarHBondContact O-N 3.43Å; D361-K363 PolarHBondContact O-N 3.02Å; K363-D367 WeakPolarHBondContact O-CB 3.33Å; K363-D367 PolarHBondContact O-N 2.51Å; K363-F428 HydrophobicContact CG-CZ 3.9Å
364V85.4Confident88.1Confident49 Ų4945.7 Ų45.730%0.29725%0.254SS..Hα-helixtrans-63.9-44.1179171.60000110.7G360 D361 D367 C368G360-V364 WeakPolarHBondContact O-CG2 3.35Å; G360-V364 PolarHBondContact O-N 3.17Å; D361-V364 PolarHBondContact O-N 2.83Å; D361-V364 VanDerWaalsContact O-N 3.11Å; V364-D367 PolarHBondContact O-N 3.11Å; V364-C368 WeakPolarHBondContact O-CB 3.35Å; V364-C368 PolarHBondContact O-N 3.37Å; V364-C368 PolarHBondContact O-SG 3.14Å
365F86.7Confident87.9Confident3 Ų347.1 Ų47.11%0.01327%0.272CS..Hα-helixtrans-63.5-44.2179.1-92.1-76.8000112.7I308 N309 F345 Y348 D361 D362 D367 C368 F369I308-F365 HydrophobicContact CG2-CE1 4.5Å; N309-F365 WeakPolarHBondContact ND2-CZ 3.49Å; N309-F365 WeakPolarHBondContact OD1-CE2 3.47Å; N309-F365 WeakPolarHBondContact OD1-CZ 3.24Å; F345-F365 HydrophobicContact CD1-CD1 4.12Å; F345-F365 AromaticContact CE1-CD1 3.75Å; F345-F365 HydrophobicContact CE1-CD1 3.75Å; F345-F365 HydrophobicContact CE1-CE1 4.41Å; Y348-F365 HydrophobicContact CD1-CB 3.87Å; Y348-F365 HydrophobicContact CD1-CG 4.36Å; Y348-F365 HydrophobicContact CD2-CB 4.02Å; Y348-F365 HydrophobicContact CD2-CD1 4.31Å; Y348-F365 HydrophobicContact CD2-CG 4.21Å; Y348-F365 HydrophobicContact CE1-CB 4.01Å; Y348-F365 AromaticContact CE1-CD2 3.95Å; Y348-F365 HydrophobicContact CE1-CD2 3.95Å; Y348-F365 HydrophobicContact CE1-CG 4.01Å; Y348-F365 HydrophobicContact CE2-CB 4.17Å; Y348-F365 AromaticContact CE2-CD1 3.89Å; Y348-F365 HydrophobicContact CE2-CD1 3.89Å; Y348-F365 HydrophobicContact CE2-CD2 4.34Å; Y348-F365 HydrophobicContact CE2-CE1 4.4Å; Y348-F365 AromaticContact CE2-CG 3.87Å; Y348-F365 HydrophobicContact CE2-CG 3.87Å; Y348-F365 HydrophobicContact CG-CB 3.87Å; Y348-F365 HydrophobicContact CG-CG 4.44Å; Y348-F365 AromaticContact CZ-CD2 3.77Å; Y348-F365 AromaticContact CZ-CG 3.75Å; D361-F365 VanDerWaalsContact O-CD2 3.31Å; D361-F365 WeakPolarHBondContact O-CD2 3.17Å; D361-F365 PolarHBondContact O-N 3.46Å; D362-F365 PolarHBondContact O-N 3.38Å; F365-D367 VanDerWaalsContact C-N 3.34Å; F365-C368 WeakPolarHBondContact O-CB 3.41Å; F365-C368 PolarHBondContact O-N 3.2Å; F365-F369 PolarHBondContact O-N 3.35Å
366L89.5Confident87.7Confident1 Ų146.1 Ų46.11%0.00527%0.266CS..Hα-helixtrans-66.8-38.1178.3-16858.9000111.3F351 Y354 D362 F369 C370 F428F351-L366 HydrophobicContact CE1-CD1 4.24Å; Y354-L366 HydrophobicContact CD2-CD2 4.16Å; Y354-L366 HydrophobicContact CE2-CD2 4.04Å; D362-L366 WeakPolarHBondContact O-CB 3.5Å; D362-L366 PolarHBondContact O-N 3.38Å; L366-F369 PolarHBondContact O-N 3.46Å; L366-C370 PolarHBondContact O-N 2.74Å; L366-C370 PolarHBondContact O-SG 3.44Å; L366-C370 VanDerWaalsContact O-SG 3.33Å; L366-F428 HydrophobicContact CB-CD1 4.3Å; L366-F428 HydrophobicContact CD2-CB 3.5Å; L366-F428 HydrophobicContact CD2-CD1 4.09Å; L366-F428 HydrophobicContact CD2-CD2 3.7Å; L366-F428 HydrophobicContact CD2-CE2 4.45Å; L366-F428 HydrophobicContact CD2-CG 3.49Å; L366-F428 VanDerWaalsContact CD2-CG 3.49Å; L366-F428 HydrophobicContact CG-CB 3.76Å; L366-F428 HydrophobicContact CG-CD1 3.86Å; L366-F428 HydrophobicContact CG-CD2 4.38Å; L366-F428 HydrophobicContact CG-CG 3.75Å
367D89.3Confident87.3Confident35 Ų3542.4 Ų42.419%0.18725%0.248CC..Hα-helixtrans-63.2-43.7172.4-173.363.6000112.6K363 V364 F365 F369 C370 K371 F428 R431K363-D367 WeakPolarHBondContact O-CB 3.33Å; K363-D367 PolarHBondContact O-N 2.51Å; V364-D367 PolarHBondContact O-N 3.11Å; F365-D367 VanDerWaalsContact C-N 3.34Å; D367-F369 VanDerWaalsContact C-N 3.3Å; D367-F369 PolarHBondContact O-N 3.26Å; D367-C370 PolarHBondContact O-N 3.16Å; D367-K371 WeakPolarHBondContact O-CG 3.28Å; D367-K371 PolarHBondContact O-N 3.45Å; D367-K371 WeakPolarHBondContact OD2-CE 3.3Å; D367-K371 IonicContact OD2-NZ 3.65Å; D367-K371 PolarHBondContact OD2-NZ 3.38Å; D367-F428 HydrophobicContact CB-CE1 4Å; D367-R431 IonicContact OD1-CZ 2.67Å; D367-R431 VanDerWaalsContact OD1-CZ 3.26Å; D367-R431 IonicContact OD1-NH1 3.39Å; D367-R431 PolarHBondContact OD1-NH1 3.33Å; D367-R431 IonicContact OD1-NH2 3.41Å; D367-R431 PolarHBondContact OD1-NH2 2.87Å
368C89.9Confident87.1Confident1 Ų140.5 Ų40.51%0.00724%0.237CC..Hα-helixtrans-59.7-42.4175.1-70.80000111.2L324 F345 V364 F365 K371 I372L324-C368 HydrophobicContact CD1-CB 4.13Å; L324-C368 HydrophobicContact CD2-CB 3.74Å; F345-C368 HydrophobicContact CE1-CB 4.15Å; V364-C368 WeakPolarHBondContact O-CB 3.35Å; V364-C368 PolarHBondContact O-N 3.37Å; V364-C368 PolarHBondContact O-SG 3.14Å; F365-C368 WeakPolarHBondContact O-CB 3.41Å; F365-C368 PolarHBondContact O-N 3.2Å; C368-K371 WeakPolarHBondContact O-CB 3.4Å; C368-K371 PolarHBondContact O-N 2.96Å; C368-I372 WeakPolarHBondContact O-CG1 3.29Å; C368-I372 PolarHBondContact O-N 3.16Å
369F92.1Very high86.7Confident2 Ų238.6 Ų38.61%0.00923%0.23CC..Hα-helixtrans-67-39.8178.8-167.8-128.5000112.5F345 F365 L366 D367 K371 I372 A373 I389 I394 L432F345-F369 HydrophobicContact CB-CB 4.29Å; F345-F369 HydrophobicContact CB-CD1 4.28Å; F345-F369 HydrophobicContact CB-CD2 3.52Å; F345-F369 HydrophobicContact CB-CE2 3.85Å; F345-F369 HydrophobicContact CB-CG 3.77Å; F345-F369 HydrophobicContact CB-CZ 4.36Å; F345-F369 HydrophobicContact CD1-CB 3.6Å; F345-F369 AromaticContact CD1-CD2 3.97Å; F345-F369 HydrophobicContact CD1-CD2 3.97Å; F345-F369 AromaticContact CD1-CG 3.99Å; F345-F369 HydrophobicContact CD1-CG 3.99Å; F345-F369 AromaticContact CD2-CD2 3.75Å; F345-F369 HydrophobicContact CD2-CD2 3.75Å; F345-F369 HydrophobicContact CD2-CE2 4.28Å; F345-F369 HydrophobicContact CE1-CB 4.07Å; F345-F369 HydrophobicContact CE2-CD2 4.46Å; F345-F369 HydrophobicContact CG-CB 4.01Å; F345-F369 AromaticContact CG-CD2 3.47Å; F345-F369 HydrophobicContact CG-CD2 3.47Å; F345-F369 VanDerWaalsContact CG-CD2 3.47Å; F345-F369 HydrophobicContact CG-CE2 4.17Å; F345-F369 AromaticContact CG-CG 3.87Å; F345-F369 HydrophobicContact CG-CG 3.87Å; F365-F369 PolarHBondContact O-N 3.35Å; L366-F369 PolarHBondContact O-N 3.46Å; D367-F369 VanDerWaalsContact C-N 3.3Å; D367-F369 PolarHBondContact O-N 3.26Å; F369-K371 VanDerWaalsContact C-N 3.3Å; F369-K371 PolarHBondContact O-N 3.19Å; F369-I372 PolarHBondContact O-N 3.42Å; F369-A373 WeakPolarHBondContact O-CB 3.32Å; F369-A373 PolarHBondContact O-N 3.44Å; F369-I389 HydrophobicContact CZ-CD1 4.3Å; F369-I394 HydrophobicContact CE1-CD1 4.28Å; F369-I394 HydrophobicContact CE1-CG2 4.1Å; F369-I394 HydrophobicContact CZ-CD1 4.09Å; F369-L432 HydrophobicContact CD1-CD1 3.65Å; F369-L432 HydrophobicContact CD1-CD2 4.17Å; F369-L432 HydrophobicContact CE1-CD1 3.6Å; F369-L432 HydrophobicContact CE1-CD2 4.04Å; F369-L432 HydrophobicContact CE1-CG 4.47Å; F369-L432 HydrophobicContact CG-CD1 4.49Å; F369-L432 HydrophobicContact CZ-CD1 4.42Å
370C92.4Very high86.4Confident4 Ų439.9 Ų39.93%0.02724%0.238CC..Hα-helixtrans-59.4-40.9171.9-72.30000112.1L366 D367 A374 F428 R431L366-C370 PolarHBondContact O-N 2.74Å; L366-C370 PolarHBondContact O-SG 3.44Å; L366-C370 VanDerWaalsContact O-SG 3.33Å; D367-C370 PolarHBondContact O-N 3.16Å; C370-A374 WeakPolarHBondContact O-CB 3.44Å; C370-A374 PolarHBondContact O-N 3.49Å; C370-F428 PolarHBondContact SG-O 2.88Å; C370-R431 HydrophobicContact CB-CB 4.3Å
371K89.8Confident86.4Confident62 Ų6237.9 Ų37.927%0.2722%0.215SC..Hα-helixtrans-66.4-43.7176.4-73.3168.8177.3164.50111.9Q321 L324 D367 C368 F369 A374 G375Q321-K371 VanDerWaalsContact NE2-CE 3.27Å; Q321-K371 VanDerWaalsContact NE2-NZ 3.1Å; L324-K371 HydrophobicContact CD1-CB 4.16Å; L324-K371 HydrophobicContact CD1-CD 3.8Å; D367-K371 WeakPolarHBondContact O-CG 3.28Å; D367-K371 PolarHBondContact O-N 3.45Å; D367-K371 WeakPolarHBondContact OD2-CE 3.3Å; D367-K371 IonicContact OD2-NZ 3.65Å; D367-K371 PolarHBondContact OD2-NZ 3.38Å; C368-K371 WeakPolarHBondContact O-CB 3.4Å; C368-K371 PolarHBondContact O-N 2.96Å; F369-K371 VanDerWaalsContact C-N 3.3Å; F369-K371 PolarHBondContact O-N 3.19Å; K371-A374 PolarHBondContact O-N 2.88Å; K371-G375 PolarHBondContact O-N 3.3Å
372I90.1Very high86.7Confident2 Ų234.3 Ų34.31%0.0120%0.196CC..Hα-helixtrans-57.6-52.7173.5-75.1166.4000109.8L324 P328 F345 C368 F369 A374 G375 I376L324-I372 HydrophobicContact CB-CG1 4.42Å; L324-I372 HydrophobicContact CD2-CD1 3.87Å; L324-I372 HydrophobicContact CD2-CG1 4.01Å; P328-I372 HydrophobicContact CG-CG2 3.93Å; F345-I372 HydrophobicContact CE2-CD1 3.59Å; F345-I372 HydrophobicContact CZ-CD1 3.58Å; C368-I372 WeakPolarHBondContact O-CG1 3.29Å; C368-I372 PolarHBondContact O-N 3.16Å; F369-I372 PolarHBondContact O-N 3.42Å; I372-A374 VanDerWaalsContact C-N 3.28Å; I372-A374 PolarHBondContact O-N 3.18Å; I372-G375 CarbonylContact O-C 3.49Å; I372-G375 WeakPolarHBondContact O-CA 3.47Å; I372-G375 PolarHBondContact O-N 3.05Å; I372-I376 WeakPolarHBondContact O-CG1 3.39Å; I372-I376 PolarHBondContact O-N 3.39Å; I372-I376 VanDerWaalsContact O-N 3.11Å
373A91.4Very high86.8Confident0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-58.4-38.7-179.300000112.8F369 L432 G435 L436F369-A373 WeakPolarHBondContact O-CB 3.32Å; F369-A373 PolarHBondContact O-N 3.44Å; A373-L432 HydrophobicContact CB-CD1 3.68Å; A373-G435 CarbonylContact O-C 3.48Å; A373-L436 HydrophobicContact CB-CD2 3.97Å; A373-L436 HydrophobicContact CB-CG 4.18Å
374A89.1Confident86.9Confident56 Ų5632.7 Ų32.746%0.46319%0.189SC..Hα-helixtrans-72.2-27.6175.100000113.5C370 K371 I372C370-A374 WeakPolarHBondContact O-CB 3.44Å; C370-A374 PolarHBondContact O-N 3.49Å; K371-A374 PolarHBondContact O-N 2.88Å; I372-A374 VanDerWaalsContact C-N 3.28Å; I372-A374 PolarHBondContact O-N 3.18Å
375G85Confident87.1Confident41 Ų4130.4 Ų30.442%0.42318%0.175SC..Hα-helixtrans-87.7-3.7179.400000115K371 I372 K377K371-G375 PolarHBondContact O-N 3.3Å; I372-G375 CarbonylContact O-C 3.49Å; I372-G375 WeakPolarHBondContact O-CA 3.47Å; I372-G375 PolarHBondContact O-N 3.05Å; G375-K377 PolarHBondContact O-N 2.88Å; G375-K377 VanDerWaalsContact O-N 3.12Å
376I87.3Confident87.4Confident11 Ų1130.4 Ų30.46%0.05618%0.175CC..  trans-65.5113.7176.9-58.8176.2000109.3I372 G382 L385 K386 I389I372-I376 WeakPolarHBondContact O-CG1 3.39Å; I372-I376 PolarHBondContact O-N 3.39Å; I372-I376 VanDerWaalsContact O-N 3.11Å; I376-G382 VanDerWaalsContact CG2-CA 3.46Å; I376-G382 WeakPolarHBondContact CG2-O 3.47Å; I376-L385 HydrophobicContact CD1-CD2 3.88Å; I376-L385 HydrophobicContact CD1-CG 4.16Å; I376-L385 HydrophobicContact CG1-CD2 4.17Å; I376-K386 HydrophobicContact CD1-CG 3.94Å; I376-K386 HydrophobicContact CG2-CD 4.41Å; I376-K386 HydrophobicContact CG2-CG 4.22Å; I376-I389 HydrophobicContact CD1-CD1 4.09Å
377K79.9Confident87.5Confident86 Ų8633.5 Ų33.537%0.37419%0.191SC..  trans-62.8157.7178.5-67.2-70.2-169.41630112.8D278 Y329 G375 N379D278-K377 WeakPolarHBondContact OD1-CE 3.28Å; D278-K377 IonicContact OD1-NZ 3.59Å; D278-K377 IonicContact OD2-NZ 3.33Å; Y329-K377 HydrophobicContact CE1-CG 4.37Å; Y329-K377 WeakPolarHBondContact OH-CE 3.29Å; Y329-K377 WeakPolarHBondContact OH-CG 3.23Å; G375-K377 PolarHBondContact O-N 2.88Å; G375-K377 VanDerWaalsContact O-N 3.12Å; K377-N379 PolarHBondContact O-N 3.44Å
378N79.9Confident87.6Confident86 Ų8632.4 Ų32.446%0.4619%0.186SC..SBendtrans-90.571.8179-175.626.1000111.8H383 Q439N378-H383 PolarHBondContact OD1-NE2 3.34Å; N378-Q439 HydrophobicContact CB-CB 4.32Å; N378-Q439 PolarHBondContact ND2-OE1 3.35Å
379N80.5Confident87.8Confident31 Ų3132.5 Ų32.517%0.16619%0.186CC..SBendtrans-136.6175.9171.662.615.6000109.8N281 K377 N381 G382 H383N281-N379 PolarHBondContact O-ND2 3.15Å; K377-N379 PolarHBondContact O-N 3.44Å; N379-N381 VanDerWaalsContact C-N 3.28Å; N379-N381 PolarHBondContact O-N 2.9Å; N379-N381 PolarHBondContact OD1-N 3.48Å; N379-G382 PolarHBondContact O-N 3.07Å; N379-G382 PolarHBondContact OD1-N 3.33Å; N379-H383 PolarHBondContact O-CD2 3.48Å; N379-H383 VanDerWaalsContact O-CD2 3.29Å; N379-H383 PolarHBondContact O-N 3.05Å
380S81.8Confident87.7Confident77 Ų7734.4 Ų34.454%0.53820%0.196SC..Hα-helixtrans-54.4-41.7-178.450.50000113.1H383 Q384S380-H383 PolarHBondContact O-N 3.28Å; S380-Q384 PolarHBondContact O-N 3.08Å
381N82.2Confident87.6Confident12 Ų1241.7 Ų41.76%0.06423%0.23CC..Hα-helixtrans-68.8-40.9179-69.5-33.2000112.7N281 L293 F332 G333 N379 H383 Q384 L385N281-N381 PolarHBondContact OD1-ND2 3.12Å; L293-N381 WeakPolarHBondContact CD2-ND2 3.22Å; F332-N381 HydrophobicContact CB-CB 3.62Å; F332-N381 HydrophobicContact CD1-CB 3.99Å; F332-N381 HydrophobicContact CD2-CB 3.95Å; F332-N381 HydrophobicContact CG-CB 3.59Å; G333-N381 PolarHBondContact N-OD1 3.13Å; N379-N381 VanDerWaalsContact C-N 3.28Å; N379-N381 PolarHBondContact O-N 2.9Å; N379-N381 PolarHBondContact OD1-N 3.48Å; N381-H383 VanDerWaalsContact C-N 3.33Å; N381-Q384 PolarHBondContact O-N 3.26Å; N381-L385 PolarHBondContact O-N 3.49Å
382G86.3Confident87.7Confident0 Ų041.2 Ų41.20%023%0.227CC..Hα-helixtrans-64.3-38.217500000112.3I376 N379 L385 K386I376-G382 VanDerWaalsContact CG2-CA 3.46Å; I376-G382 WeakPolarHBondContact CG2-O 3.47Å; N379-G382 PolarHBondContact O-N 3.07Å; N379-G382 PolarHBondContact OD1-N 3.33Å; G382-L385 PolarHBondContact O-N 3.48Å; G382-K386 WeakPolarHBondContact O-CG 3.27Å; G382-K386 PolarHBondContact O-N 3.03Å
383H87.8Confident87.6Confident54 Ų5442 Ų4225%0.2524%0.237CC..Hα-helixtrans-64-45.3172.8-74.7-154.4000111.1N378 N379 S380 N381 L385 K386 D387 Q439N378-H383 PolarHBondContact OD1-NE2 3.34Å; N379-H383 PolarHBondContact O-CD2 3.48Å; N379-H383 VanDerWaalsContact O-CD2 3.29Å; N379-H383 PolarHBondContact O-N 3.05Å; S380-H383 PolarHBondContact O-N 3.28Å; N381-H383 VanDerWaalsContact C-N 3.33Å; H383-L385 VanDerWaalsContact C-N 3.31Å; H383-L385 PolarHBondContact O-N 3.17Å; H383-K386 PolarHBondContact O-N 3.17Å; H383-K386 VanDerWaalsContact O-N 3.09Å; H383-D387 PolarHBondContact O-N 3.16Å; H383-Q439 PolarHBondContact CE1-O 2.93Å; H383-Q439 PolarHBondContact NE2-O 2.9Å; H383-Q439 VanDerWaalsContact NE2-O 3.1Å
384Q88.7Confident87.7Confident73 Ų7342 Ų4234%0.34124%0.237SC..Hα-helixtrans-58.6-40.1176.2-170.9-179.637.500112.7M338 S380 N381 D387 L388M338-Q384 HydrophobicContact CE-CB 4.26Å; M338-Q384 HydrophobicContact CE-CG 4.31Å; M338-Q384 HydrophobicContact SD-CB 4.35Å; M338-Q384 HydrophobicContact SD-CG 4Å; S380-Q384 PolarHBondContact O-N 3.08Å; N381-Q384 PolarHBondContact O-N 3.26Å; Q384-D387 PolarHBondContact O-N 3.26Å; Q384-L388 PolarHBondContact O-N 3.45Å
385L90.1Very high87.9Confident1 Ų139.4 Ų39.41%0.00522%0.215CC..Hα-helixtrans-65.7-42.1174.8179.960.2000111.7P328 F332 M338 L341 V342 I376 N381 G382 H383 L388 I389P328-L385 HydrophobicContact CB-CD2 4.42Å; F332-L385 HydrophobicContact CE1-CB 4.32Å; F332-L385 HydrophobicContact CE1-CD2 3.89Å; M338-L385 HydrophobicContact CB-CD1 3.97Å; M338-L385 HydrophobicContact CE-CB 4.49Å; M338-L385 HydrophobicContact CG-CD1 4.15Å; M338-L385 HydrophobicContact SD-CB 4.14Å; M338-L385 HydrophobicContact SD-CD1 4.46Å; L341-L385 HydrophobicContact CD2-CD1 4.31Å; L341-L385 HydrophobicContact CD2-CD2 4.12Å; V342-L385 HydrophobicContact CG2-CD1 3.92Å; I376-L385 HydrophobicContact CD1-CD2 3.88Å; I376-L385 HydrophobicContact CD1-CG 4.16Å; I376-L385 HydrophobicContact CG1-CD2 4.17Å; N381-L385 PolarHBondContact O-N 3.49Å; G382-L385 PolarHBondContact O-N 3.48Å; H383-L385 VanDerWaalsContact C-N 3.31Å; H383-L385 PolarHBondContact O-N 3.17Å; L385-L388 PolarHBondContact O-N 2.96Å; L385-I389 HydrophobicContact CG-CD1 4.27Å; L385-I389 WeakPolarHBondContact O-CG1 3.36Å; L385-I389 PolarHBondContact O-N 3.36Å
386K92.9Very high88.2Confident3 Ų341.1 Ų41.11%0.01321%0.212CC..Hα-helixtrans-63.9-40.8175.6-73.3179-179.2171.40112I376 G382 H383 L388 I389 L390 L436 I438 H440I376-K386 HydrophobicContact CD1-CG 3.94Å; I376-K386 HydrophobicContact CG2-CD 4.41Å; I376-K386 HydrophobicContact CG2-CG 4.22Å; G382-K386 WeakPolarHBondContact O-CG 3.27Å; G382-K386 PolarHBondContact O-N 3.03Å; H383-K386 PolarHBondContact O-N 3.17Å; H383-K386 VanDerWaalsContact O-N 3.09Å; K386-L388 VanDerWaalsContact C-N 3.33Å; K386-L388 PolarHBondContact O-N 3.18Å; K386-I389 PolarHBondContact O-N 3.23Å; K386-L390 WeakPolarHBondContact O-CB 3.41Å; K386-L390 PolarHBondContact O-N 2.91Å; K386-L436 HydrophobicContact CG-CD2 4.33Å; K386-I438 PolarHBondContact NZ-O 3.47Å; K386-H440 HydrophobicContact CD-CB 3.6Å
387D91.6Very high88.4Confident67 Ų6744.1 Ų44.136%0.35823%0.228SC..Hα-helixtrans-60.8-40.8173.4-80.2-31.6000111.9H383 Q384 L390 Q391 H440H383-D387 PolarHBondContact O-N 3.16Å; Q384-D387 PolarHBondContact O-N 3.26Å; D387-L390 WeakPolarHBondContact O-CB 3.3Å; D387-L390 PolarHBondContact O-N 3.19Å; D387-Q391 VanDerWaalsContact O-CG 3.29Å; D387-Q391 WeakPolarHBondContact O-CG 3.39Å; D387-Q391 PolarHBondContact O-N 2.96Å; D387-H440 IonicContact OD1-CE1 3.64Å; D387-H440 PolarHBondContact OD1-CE1 3.42Å; D387-H440 IonicContact OD1-NE2 2.81Å; D387-H440 PolarHBondContact OD1-NE2 2.83Å
388L91.8Very high89.1Confident12 Ų1240 Ų406%0.06321%0.21CC..Hα-helixtrans-66.2-41.4176.5-174.566.7000112.2M338 Q339 V342 Q384 L385 K386 L390 Q391 K392M338-L388 VanDerWaalsContact C-CD2 3.49Å; M338-L388 HydrophobicContact CB-CD2 3.52Å; Q339-L388 HydrophobicContact CB-CD2 4.41Å; Q339-L388 HydrophobicContact CG-CD1 4.02Å; Q339-L388 HydrophobicContact CG-CD2 3.77Å; Q339-L388 HydrophobicContact CG-CG 4.48Å; V342-L388 HydrophobicContact CG2-CD2 4.12Å; V342-L388 HydrophobicContact CG2-CG 4.39Å; Q384-L388 PolarHBondContact O-N 3.45Å; L385-L388 PolarHBondContact O-N 2.96Å; K386-L388 VanDerWaalsContact C-N 3.33Å; K386-L388 PolarHBondContact O-N 3.18Å; L388-L390 VanDerWaalsContact C-N 3.26Å; L388-L390 PolarHBondContact O-N 3.2Å; L388-Q391 PolarHBondContact O-N 3.42Å; L388-K392 HydrophobicContact CD1-CG 4.44Å; L388-K392 HydrophobicContact CG-CG 4.47Å; L388-K392 WeakPolarHBondContact O-CB 3.48Å; L388-K392 VanDerWaalsContact O-CG 3.28Å; L388-K392 WeakPolarHBondContact O-CG 3.46Å; L388-K392 PolarHBondContact O-N 3.39Å
389I92.9Very high89.6Confident2 Ų236.3 Ų36.31%0.0119%0.19CC..Hα-helixtrans-59.7-41.3174.1-68.8167.8000110.4V342 F369 I376 L385 K386 K392 I394 L436V342-I389 HydrophobicContact CG1-CG1 4.34Å; V342-I389 HydrophobicContact CG2-CG1 3.63Å; F369-I389 HydrophobicContact CZ-CD1 4.3Å; I376-I389 HydrophobicContact CD1-CD1 4.09Å; L385-I389 HydrophobicContact CG-CD1 4.27Å; L385-I389 WeakPolarHBondContact O-CG1 3.36Å; L385-I389 PolarHBondContact O-N 3.36Å; K386-I389 PolarHBondContact O-N 3.23Å; I389-K392 PolarHBondContact O-N 3.33Å; I389-I394 HydrophobicContact CG2-CB 4.1Å; I389-I394 HydrophobicContact CG2-CD1 4.29Å; I389-I394 HydrophobicContact CG2-CG2 4.46Å; I389-I394 PolarHBondContact O-N 2.97Å; I389-L436 HydrophobicContact CB-CD2 4.43Å; I389-L436 HydrophobicContact CD1-CD2 3.76Å; I389-L436 HydrophobicContact CG2-CD1 3.74Å; I389-L436 HydrophobicContact CG2-CD2 3.97Å
390L91.1Very high90.1Very high43 Ų4338.5 Ų38.523%0.22520%0.202CC..Hα-helixtrans-61.9-50.2175.4-166.168000111.2K386 D387 L388 K392 G393 T395 L446K386-L390 WeakPolarHBondContact O-CB 3.41Å; K386-L390 PolarHBondContact O-N 2.91Å; D387-L390 WeakPolarHBondContact O-CB 3.3Å; D387-L390 PolarHBondContact O-N 3.19Å; L388-L390 VanDerWaalsContact C-N 3.26Å; L388-L390 PolarHBondContact O-N 3.2Å; L390-K392 VanDerWaalsContact C-N 3.32Å; L390-K392 PolarHBondContact O-N 3.01Å; L390-G393 PolarHBondContact O-N 3.04Å; L390-G393 VanDerWaalsContact O-N 3.1Å; L390-T395 HydrophobicContact CD1-CG2 4.05Å; L390-L446 HydrophobicContact CD1-CB 4.48Å; L390-L446 HydrophobicContact CD1-CD2 3.4Å; L390-L446 VanDerWaalsContact CD1-CD2 3.4Å
391Q90.3Very high90.7Very high157 Ų15735 Ų3573%0.73418%0.177SC*.Hα-helixtrans-61.8-35.5178.7-73.317515.500113.2D387 L388 G393D387-Q391 VanDerWaalsContact O-CG 3.29Å; D387-Q391 WeakPolarHBondContact O-CG 3.39Å; D387-Q391 PolarHBondContact O-N 2.96Å; L388-Q391 PolarHBondContact O-N 3.42Å; Q391-G393 PolarHBondContact O-N 2.83Å
392K90.4Very high91.1Very high51 Ų5134.6 Ų34.622%0.22218%0.175CC..THydrogen-bonded Turntrans-74.4-3.2178.5-69-77-177.3172.30113.2V342 E343 K346 L388 I389 L390V342-K392 HydrophobicContact CG1-CB 3.94Å; V342-K392 HydrophobicContact CG1-CG 3.85Å; E343-K392 IonicContact OE1-NZ 2.7Å; E343-K392 PolarHBondContact OE1-NZ 3.35Å; K346-K392 WeakPolarHBondContact CE-O 3.43Å; K346-K392 PolarHBondContact NZ-O 3Å; L388-K392 HydrophobicContact CD1-CG 4.44Å; L388-K392 HydrophobicContact CG-CG 4.47Å; L388-K392 WeakPolarHBondContact O-CB 3.48Å; L388-K392 VanDerWaalsContact O-CG 3.28Å; L388-K392 WeakPolarHBondContact O-CG 3.46Å; L388-K392 PolarHBondContact O-N 3.39Å; I389-K392 PolarHBondContact O-N 3.33Å; L390-K392 VanDerWaalsContact C-N 3.32Å; L390-K392 PolarHBondContact O-N 3.01Å
393G89.8Confident91.2Very high20 Ų2041.3 Ų41.321%0.20620%0.204CC..THydrogen-bonded Turntrans85.19.4170.400000115.1L390 Q391 Q396 N397L390-G393 PolarHBondContact O-N 3.04Å; L390-G393 VanDerWaalsContact O-N 3.1Å; Q391-G393 PolarHBondContact O-N 2.83Å; G393-Q396 PolarHBondContact O-N 3.12Å; G393-N397 PolarHBondContact O-N 2.81Å; G393-N397 PolarHBondContact O-OD1 3.42Å
394I93.2Very high91.3Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-67.2-45.4-176.3-65.7169.5000110.9V342 K346 C349 F369 I389 Q396 N397 A398 L432V342-I394 HydrophobicContact CG1-CD1 3.72Å; K346-I394 HydrophobicContact CB-CD1 4.42Å; K346-I394 HydrophobicContact CG-CG1 4.46Å; C349-I394 HydrophobicContact CB-CG1 4.5Å; C349-I394 HydrophobicContact CB-CG2 4Å; F369-I394 HydrophobicContact CE1-CD1 4.28Å; F369-I394 HydrophobicContact CE1-CG2 4.1Å; F369-I394 HydrophobicContact CZ-CD1 4.09Å; I389-I394 HydrophobicContact CG2-CB 4.1Å; I389-I394 HydrophobicContact CG2-CD1 4.29Å; I389-I394 HydrophobicContact CG2-CG2 4.46Å; I389-I394 PolarHBondContact O-N 2.97Å; I394-Q396 VanDerWaalsContact C-N 3.3Å; I394-Q396 PolarHBondContact O-N 3.43Å; I394-N397 PolarHBondContact O-N 3.44Å; I394-A398 PolarHBondContact O-N 3.26Å; I394-A398 VanDerWaalsContact O-N 3.13Å; I394-L432 HydrophobicContact CG2-CD2 3.98Å
395T92.3Very high91.2Very high1 Ų143.2 Ų43.21%0.00621%0.211CC..Hα-helixtrans-60.6-41.9175.9-45.90000110.9L390 A398 L399 L433 T443 L446L390-T395 HydrophobicContact CD1-CG2 4.05Å; T395-A398 WeakPolarHBondContact O-CB 3.45Å; T395-A398 PolarHBondContact O-N 2.82Å; T395-L399 WeakPolarHBondContact O-CG 3.44Å; T395-L399 PolarHBondContact O-N 3.23Å; T395-L399 VanDerWaalsContact O-N 3.09Å; T395-L433 HydrophobicContact CG2-CD2 3.73Å; T395-T443 HydrophobicContact CG2-CG2 3.97Å; T395-L446 HydrophobicContact CG2-CD2 3.92Å
396Q91.4Very high91.1Very high76 Ų7644 Ų4436%0.35522%0.215SC..Hα-helixtrans-64.7-44.1178.4-170.960.450.100111.7G393 I394 A398 L399 D400G393-Q396 PolarHBondContact O-N 3.12Å; I394-Q396 VanDerWaalsContact C-N 3.3Å; I394-Q396 PolarHBondContact O-N 3.43Å; Q396-A398 VanDerWaalsContact C-N 3.26Å; Q396-A398 PolarHBondContact O-N 3.2Å; Q396-L399 PolarHBondContact O-N 2.81Å; Q396-L399 VanDerWaalsContact O-N 3.12Å; Q396-D400 PolarHBondContact NE2-OD1 3.26Å; Q396-D400 WeakPolarHBondContact O-CB 3.38Å; Q396-D400 VanDerWaalsContact O-CG 3.27Å; Q396-D400 PolarHBondContact O-N 3.32Å
397N92.1Very high90.6Very high74 Ų7444.4 Ų44.440%0.39622%0.218SC..Hα-helixtrans-58.2-39176.3-70.6-6.1000112.4F351 G393 I394 Y401F351-N397 HydrophobicContact CE2-CB 4.43Å; G393-N397 PolarHBondContact O-N 2.81Å; G393-N397 PolarHBondContact O-OD1 3.42Å; I394-N397 PolarHBondContact O-N 3.44Å; N397-Y401 WeakPolarHBondContact O-CB 3.41Å; N397-Y401 PolarHBondContact O-N 2.86Å
398A93.3Very high89.7Confident0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-65.6-42.2176.300000112F351 I394 T395 Q396 M402 I429 L433F351-A398 HydrophobicContact CD2-CB 4.42Å; F351-A398 HydrophobicContact CE2-CB 3.64Å; F351-A398 HydrophobicContact CZ-CB 4.11Å; I394-A398 PolarHBondContact O-N 3.26Å; I394-A398 VanDerWaalsContact O-N 3.13Å; T395-A398 WeakPolarHBondContact O-CB 3.45Å; T395-A398 PolarHBondContact O-N 2.82Å; Q396-A398 VanDerWaalsContact C-N 3.26Å; Q396-A398 PolarHBondContact O-N 3.2Å; A398-M402 PolarHBondContact O-N 3.31Å; A398-I429 HydrophobicContact CB-CG2 4.03Å; A398-L433 HydrophobicContact CB-CD1 4.31Å; A398-L433 HydrophobicContact CB-CD2 3.94Å; A398-L433 HydrophobicContact CB-CG 4.16Å
399L92.2Very high88.7Confident9 Ų948.2 Ų48.25%0.04725%0.253CS..Hα-helixtrans-67.1-41.4175.8-65.6-176.9000112.3T395 Q396 M402 K403 L433 L446 I447 S451T395-L399 WeakPolarHBondContact O-CG 3.44Å; T395-L399 PolarHBondContact O-N 3.23Å; T395-L399 VanDerWaalsContact O-N 3.09Å; Q396-L399 PolarHBondContact O-N 2.81Å; Q396-L399 VanDerWaalsContact O-N 3.12Å; L399-M402 HydrophobicContact CD2-CE 3.39Å; L399-M402 PolarHBondContact O-N 3.02Å; L399-K403 WeakPolarHBondContact O-CB 3.23Å; L399-K403 PolarHBondContact O-N 3.31Å; L399-L433 HydrophobicContact CD2-CD1 4Å; L399-L433 HydrophobicContact CD2-CD2 4.37Å; L399-L446 HydrophobicContact CD1-CD2 4.19Å; L399-L446 HydrophobicContact CD1-CG 3.86Å; L399-I447 HydrophobicContact CD1-CG1 4.36Å; L399-I447 HydrophobicContact CD2-CG1 4.17Å; L399-I447 HydrophobicContact CD2-CG2 4.36Å; L399-S451 WeakPolarHBondContact CD2-OG 3.42Å
400D91.3Very high87.3Confident76 Ų7658.2 Ų58.241%0.40630%0.297SS..Hα-helixtrans-65-40.9178.9-71.2-18000111.5Q396 K403 K404Q396-D400 PolarHBondContact NE2-OD1 3.26Å; Q396-D400 WeakPolarHBondContact O-CB 3.38Å; Q396-D400 VanDerWaalsContact O-CG 3.27Å; Q396-D400 PolarHBondContact O-N 3.32Å; D400-K403 PolarHBondContact O-N 2.88Å; D400-K404 VanDerWaalsContact O-CB 3.28Å; D400-K404 WeakPolarHBondContact O-CB 3.28Å; D400-K404 PolarHBondContact O-N 3.29Å
401Y92.7Very high86.1Confident3 Ų361 Ų611%0.01231%0.312CS..Hα-helixtrans-58.6-48.1172.5173.9-81.3000111.3F351 D355 N397 K403 K404 H405 R423 A425 I429F351-Y401 HydrophobicContact CB-CD2 3.44Å; F351-Y401 VanDerWaalsContact CB-CD2 3.44Å; F351-Y401 HydrophobicContact CB-CE2 3.81Å; F351-Y401 HydrophobicContact CB-CG 3.84Å; D355-Y401 WeakPolarHBondContact OD2-CE2 3.44Å; D355-Y401 PolarHBondContact OD2-OH 2.94Å; N397-Y401 WeakPolarHBondContact O-CB 3.41Å; N397-Y401 PolarHBondContact O-N 2.86Å; Y401-K403 VanDerWaalsContact C-N 3.34Å; Y401-K403 PolarHBondContact O-N 3.2Å; Y401-K404 PolarHBondContact O-N 3.24Å; Y401-H405 AromaticContact CD2-CD2 3.53Å; Y401-H405 AromaticContact CD2-NE2 3.85Å; Y401-H405 AromaticContact CE2-CD2 3.54Å; Y401-H405 AromaticContact CE2-NE2 3.81Å; Y401-H405 AromaticContact CG-CD2 3.92Å; Y401-H405 AromaticContact CZ-CD2 3.9Å; Y401-H405 PolarHBondContact O-CD2 3.37Å; Y401-H405 VanDerWaalsContact O-CD2 3.32Å; Y401-H405 PolarHBondContact O-N 3.37Å; Y401-R423 WeakPolarHBondContact OH-CD 3.11Å; Y401-A425 HydrophobicContact CE2-CB 4.35Å; Y401-I429 HydrophobicContact CD1-CD1 3.09Å; Y401-I429 HydrophobicContact CD2-CD1 4.4Å; Y401-I429 HydrophobicContact CE1-CD1 3.39Å; Y401-I429 HydrophobicContact CG-CD1 3.65Å
402M90.9Very high84.9Confident4 Ų455.9 Ų55.92%0.0229%0.289CS..Hα-helixtrans-60.9-44.6177.5-74.1-166.1-60.200111.1A398 L399 K404 H405 I406 I429 L430 L433 L455A398-M402 PolarHBondContact O-N 3.31Å; L399-M402 HydrophobicContact CD2-CE 3.39Å; L399-M402 PolarHBondContact O-N 3.02Å; M402-K404 VanDerWaalsContact C-N 3.29Å; M402-K404 PolarHBondContact O-N 2.84Å; M402-H405 PolarHBondContact O-N 2.88Å; M402-I406 HydrophobicContact CB-CD1 3.91Å; M402-I406 VanDerWaalsContact O-CB 3.26Å; M402-I406 WeakPolarHBondContact O-CB 3.48Å; M402-I406 WeakPolarHBondContact O-CD1 3.28Å; M402-I406 WeakPolarHBondContact O-CG1 3.3Å; M402-I406 PolarHBondContact O-N 2.86Å; M402-I429 HydrophobicContact CG-CG2 4.01Å; M402-I429 HydrophobicContact SD-CG2 4.04Å; M402-L430 HydrophobicContact SD-CD2 4.26Å; M402-L433 HydrophobicContact CE-CD1 3.42Å; M402-L433 VanDerWaalsContact CE-CD1 3.42Å; M402-L433 HydrophobicContact SD-CD1 4.23Å; M402-L455 HydrophobicContact CE-CD2 4.31Å; M402-L455 HydrophobicContact SD-CD2 3.99Å
403K88.8Confident83.3Confident142 Ų14259.6 Ų59.662%0.61731%0.311SS*.Hα-helixtrans-62.8-35.1179.1-171.4173-178.11720112.7L399 D400 Y401L399-K403 WeakPolarHBondContact O-CB 3.23Å; L399-K403 PolarHBondContact O-N 3.31Å; D400-K403 PolarHBondContact O-N 2.88Å; Y401-K403 VanDerWaalsContact C-N 3.34Å; Y401-K403 PolarHBondContact O-N 3.2Å
404K89.6Confident82.3Confident132 Ų13260 Ų6057%0.57431%0.313SS*.Hα-helixtrans-73.5-40-180-178.5-176.8176.1-1650113D352 D400 Y401 M402D352-K404 IonicContact OD1-NZ 2.83Å; D352-K404 PolarHBondContact OD1-NZ 3.24Å; D352-K404 IonicContact OD2-NZ 3.71Å; D352-K404 PolarHBondContact OD2-NZ 3.45Å; D400-K404 VanDerWaalsContact O-CB 3.28Å; D400-K404 WeakPolarHBondContact O-CB 3.28Å; D400-K404 PolarHBondContact O-N 3.29Å; Y401-K404 PolarHBondContact O-N 3.24Å; M402-K404 VanDerWaalsContact C-N 3.29Å; M402-K404 PolarHBondContact O-N 2.84Å
405H87.8Confident81.3Confident35 Ų3566 Ų6616%0.16234%0.344CS..Hα-helixtrans-105.1-17.1-168.3-67.7-68.5000115.2D352 Y401 M402 P407 F420 R423D352-H405 IonicContact OD1-CD2 3.81Å; D352-H405 IonicContact OD1-CE1 3.59Å; D352-H405 IonicContact OD1-NE2 3.27Å; D352-H405 PolarHBondContact OD1-NE2 3.29Å; Y401-H405 AromaticContact CD2-CD2 3.53Å; Y401-H405 AromaticContact CD2-NE2 3.85Å; Y401-H405 AromaticContact CE2-CD2 3.54Å; Y401-H405 AromaticContact CE2-NE2 3.81Å; Y401-H405 AromaticContact CG-CD2 3.92Å; Y401-H405 AromaticContact CZ-CD2 3.9Å; Y401-H405 PolarHBondContact O-CD2 3.37Å; Y401-H405 VanDerWaalsContact O-CD2 3.32Å; Y401-H405 PolarHBondContact O-N 3.37Å; M402-H405 PolarHBondContact O-N 2.88Å; H405-P407 WeakPolarHBondContact O-CD 3.34Å; H405-F420 HydrophobicContact CB-CD2 3.78Å; H405-F420 HydrophobicContact CB-CE2 3.64Å; H405-F420 WeakPolarHBondContact O-CD2 3.29Å; H405-R423 PolarHBondContact CE1-NH2 3.18Å; H405-R423 VanDerWaalsContact ND1-CZ 3.35Å; H405-R423 PolarHBondContact ND1-NH2 2.98Å
406I86.6Confident80.7Confident16 Ų1671.2 Ų71.28%0.08237%0.371CS..SBendtrans-63.9123.5178.3-74.4172.5000110.1M402 W417 F420 N454 L458M402-I406 HydrophobicContact CB-CD1 3.91Å; M402-I406 VanDerWaalsContact O-CB 3.26Å; M402-I406 WeakPolarHBondContact O-CB 3.48Å; M402-I406 WeakPolarHBondContact O-CD1 3.28Å; M402-I406 WeakPolarHBondContact O-CG1 3.3Å; M402-I406 PolarHBondContact O-N 2.86Å; I406-W417 HydrophobicContact CG2-CH2 4.01Å; I406-F420 HydrophobicContact CD1-CZ 4.47Å; I406-F420 HydrophobicContact CG1-CE1 3.99Å; I406-F420 HydrophobicContact CG1-CE2 4.05Å; I406-F420 HydrophobicContact CG1-CZ 3.52Å; I406-N454 HydrophobicContact CD1-CB 3.7Å; I406-L458 HydrophobicContact CD1-CD1 4.24Å
407P83.1Confident80.3Confident13 Ų1367.6 Ų67.68%0.08436%0.355CS..  trans-63.1141.4-179.4-2334.1000112.9H405 A409 I416 W417 F420H405-P407 WeakPolarHBondContact O-CD 3.34Å; P407-A409 VanDerWaalsContact C-N 3.26Å; P407-A409 PolarHBondContact O-N 3.49Å; P407-I416 HydrophobicContact CB-CG2 3.88Å; P407-I416 HydrophobicContact CG-CG2 3.89Å; P407-W417 HydrophobicContact CB-CD2 4.21Å; P407-W417 HydrophobicContact CB-CG 4.4Å; P407-W417 HydrophobicContact CB-CZ2 4.27Å; P407-W417 HydrophobicContact CG-CD2 3.89Å; P407-W417 HydrophobicContact CG-CE3 4.24Å; P407-W417 HydrophobicContact CG-CG 4.14Å; P407-F420 HydrophobicContact CG-CB 3.99Å; P407-F420 HydrophobicContact CG-CG 4.38Å
408S73.3Confident79.7Confident120 Ų12070.3 Ų70.384%0.83936%0.363SS*.  trans-80.2-4.9173-51.50000113.7
409A70.2Confident79.2Confident38 Ų3877.7 Ų77.731%0.31440%0.395SS..  trans-68.3130.5-177.500000111.4P407 N411 W417P407-A409 VanDerWaalsContact C-N 3.26Å; P407-A409 PolarHBondContact O-N 3.49Å; A409-N411 VanDerWaalsContact C-N 3.33Å; A409-W417 PolarHBondContact O-NE1 2.85Å
410K63.2Low79Confident213 Ų21377.5 Ų77.593%0.92639%0.394SS*.SBendtrans-71-25.8178.6-68.4-172177.5-173.70113.6
411N65.9Low78.7Confident102 Ų10274.8 Ų74.855%0.54538%0.379SS..  trans-86.4112.4177.6-1713.1000109.5A409 D413 A414 W417A409-N411 VanDerWaalsContact C-N 3.33Å; N411-D413 PolarHBondContact O-N 3.48Å; N411-D413 PolarHBondContact OD1-N 2.95Å; N411-A414 PolarHBondContact O-N 3.09Å; N411-W417 PolarHBondContact O-NE1 3.01Å
412L64Low78.5Confident48 Ų4878.7 Ų78.725%0.25141%0.406SS..THydrogen-bonded Turntrans-69.6-18.4-178.7-62.4172.7000112.5A414 W417 Q460 V461L412-A414 VanDerWaalsContact C-N 3.34Å; L412-W417 HydrophobicContact CD2-CD2 4.15Å; L412-W417 HydrophobicContact CD2-CE3 4.48Å; L412-W417 HydrophobicContact CD2-CH2 4.06Å; L412-W417 HydrophobicContact CD2-CZ2 3.68Å; L412-W417 HydrophobicContact CD2-CZ3 4.44Å; L412-W417 VanDerWaalsContact O-CB 3.25Å; L412-W417 WeakPolarHBondContact O-CB 3.45Å; L412-Q460 HydrophobicContact CD1-CB 4Å; L412-V461 HydrophobicContact CB-CG2 4.4Å; L412-V461 HydrophobicContact CD1-CG2 4.26Å; L412-V461 HydrophobicContact CD2-CG2 3.95Å; L412-V461 HydrophobicContact CG-CG2 4.42Å
413D58.2Low78.4Confident130 Ų13081.7 Ų81.770%0.69542%0.418SS*.THydrogen-bonded Turntrans-85.8-1-179.8-65.2-39000114.4N411N411-D413 PolarHBondContact O-N 3.48Å; N411-D413 PolarHBondContact OD1-N 2.95Å
414A68.4Low78.5Confident28 Ų2877.6 Ų77.623%0.23141%0.405CS..SBendtrans-67145.3-17900000111.7N411 L412 I416 W417 K418N411-A414 PolarHBondContact O-N 3.09Å; L412-A414 VanDerWaalsContact C-N 3.34Å; A414-I416 PolarHBondContact O-N 3.16Å; A414-W417 WeakPolarHBondContact O-CB 3.49Å; A414-W417 PolarHBondContact O-N 3.3Å; A414-K418 PolarHBondContact O-N 3.15Å
415D72.6Confident78.6Confident125 Ų12571.3 Ų71.367%0.66838%0.378SS*.Hα-helixtrans-54.7-25.2178.2-65.5-35.9000113.6K418 K419D415-K418 PolarHBondContact O-N 3.14Å; D415-K419 PolarHBondContact O-N 2.92Å
416I79.2Confident78.9Confident111 Ų11169.6 Ų69.657%0.56937%0.37SS*.Hα-helixtrans-64.5-39.3175.1-55.7173.2000111.3P407 A414 F420P407-I416 HydrophobicContact CB-CG2 3.88Å; P407-I416 HydrophobicContact CG-CG2 3.89Å; A414-I416 PolarHBondContact O-N 3.16Å; I416-F420 PolarHBondContact O-N 3.24Å
417W82.1Confident79.1Confident1 Ų169.9 Ų69.90%0.00437%0.373CS..Hα-helixtrans-68.8-44.6174.9-84.1100.6000111I406 P407 A409 N411 L412 A414 K419 F420 L421 K457 L458 V461I406-W417 HydrophobicContact CG2-CH2 4.01Å; P407-W417 HydrophobicContact CB-CD2 4.21Å; P407-W417 HydrophobicContact CB-CG 4.4Å; P407-W417 HydrophobicContact CB-CZ2 4.27Å; P407-W417 HydrophobicContact CG-CD2 3.89Å; P407-W417 HydrophobicContact CG-CE3 4.24Å; P407-W417 HydrophobicContact CG-CG 4.14Å; A409-W417 PolarHBondContact O-NE1 2.85Å; N411-W417 PolarHBondContact O-NE1 3.01Å; L412-W417 HydrophobicContact CD2-CD2 4.15Å; L412-W417 HydrophobicContact CD2-CE3 4.48Å; L412-W417 HydrophobicContact CD2-CH2 4.06Å; L412-W417 HydrophobicContact CD2-CZ2 3.68Å; L412-W417 HydrophobicContact CD2-CZ3 4.44Å; L412-W417 VanDerWaalsContact O-CB 3.25Å; L412-W417 WeakPolarHBondContact O-CB 3.45Å; A414-W417 WeakPolarHBondContact O-CB 3.49Å; A414-W417 PolarHBondContact O-N 3.3Å; W417-K419 VanDerWaalsContact C-N 3.29Å; W417-K419 PolarHBondContact O-N 2.83Å; W417-F420 HydrophobicContact CE3-CD1 4.29Å; W417-F420 HydrophobicContact CZ3-CD1 4.33Å; W417-F420 PolarHBondContact O-N 2.8Å; W417-L421 HydrophobicContact CB-CD1 4.47Å; W417-L421 WeakPolarHBondContact O-CD1 3.21Å; W417-L421 WeakPolarHBondContact O-CG 3.48Å; W417-L421 PolarHBondContact O-N 3.2Å; W417-K457 HydrophobicContact CH2-CB 4.16Å; W417-L458 HydrophobicContact CZ3-CD2 3.83Å; W417-V461 HydrophobicContact CE3-CG2 4.45Å; W417-V461 HydrophobicContact CZ3-CG2 4.49Å
418K81Confident79.6Confident131 Ų13170 Ų7057%0.5737%0.373SS*.Hα-helixtrans-55.3-44.2175.3-66.7-178.1-179.61740112.2A414 D415 F420 L421 S422A414-K418 PolarHBondContact O-N 3.15Å; D415-K418 PolarHBondContact O-N 3.14Å; K418-F420 VanDerWaalsContact C-N 3.33Å; K418-F420 PolarHBondContact O-N 3.19Å; K418-L421 PolarHBondContact O-N 2.96Å; K418-S422 WeakPolarHBondContact O-CB 3.5Å; K418-S422 PolarHBondContact O-N 3.09Å; K418-S422 VanDerWaalsContact O-N 3.08Å; K418-S422 PolarHBondContact O-OG 3.45Å
419K83.2Confident80.7Confident155 Ų15564.3 Ų64.367%0.67433%0.333SS*.Hα-helixtrans-64.6-33.2176.2-174176.1-179.7178.70113.5D415 W417 S422D415-K419 PolarHBondContact O-N 2.92Å; W417-K419 VanDerWaalsContact C-N 3.29Å; W417-K419 PolarHBondContact O-N 2.83Å; K419-S422 PolarHBondContact O-OG 2.81Å; K419-S422 VanDerWaalsContact O-OG 3.11Å
420F87Confident81.8Confident5 Ų562.6 Ų62.62%0.02232%0.318CS..Hα-helixtrans-73.7-44.2175.3170.2-100.3000111.6H405 I406 P407 I416 W417 K418 S422 R423 L426 L458H405-F420 HydrophobicContact CB-CD2 3.78Å; H405-F420 HydrophobicContact CB-CE2 3.64Å; H405-F420 WeakPolarHBondContact O-CD2 3.29Å; I406-F420 HydrophobicContact CD1-CZ 4.47Å; I406-F420 HydrophobicContact CG1-CE1 3.99Å; I406-F420 HydrophobicContact CG1-CE2 4.05Å; I406-F420 HydrophobicContact CG1-CZ 3.52Å; P407-F420 HydrophobicContact CG-CB 3.99Å; P407-F420 HydrophobicContact CG-CG 4.38Å; I416-F420 PolarHBondContact O-N 3.24Å; W417-F420 HydrophobicContact CE3-CD1 4.29Å; W417-F420 HydrophobicContact CZ3-CD1 4.33Å; W417-F420 PolarHBondContact O-N 2.8Å; K418-F420 VanDerWaalsContact C-N 3.33Å; K418-F420 PolarHBondContact O-N 3.19Å; F420-S422 PolarHBondContact O-N 2.82Å; F420-R423 VanDerWaalsContact O-CB 3.26Å; F420-R423 WeakPolarHBondContact O-CB 3.48Å; F420-R423 WeakPolarHBondContact O-CG 3.44Å; F420-R423 PolarHBondContact O-N 3.37Å; F420-R423 VanDerWaalsContact O-N 3.11Å; F420-L426 HydrophobicContact CD1-CD2 4.16Å; F420-L426 HydrophobicContact CE1-CD1 4.22Å; F420-L426 HydrophobicContact CE1-CD2 3.53Å; F420-L426 HydrophobicContact CZ-CD1 3.73Å; F420-L426 HydrophobicContact CZ-CD2 3.77Å; F420-L426 HydrophobicContact CZ-CG 4.37Å; F420-L458 HydrophobicContact CD1-CD2 4.42Å; F420-L458 HydrophobicContact CE1-CD2 3.65Å
421L85.8Confident83.3Confident19 Ų1956.3 Ų56.310%0.09929%0.288CS..Hα-helixtrans-66.2-27.1-178.5-62.7160.8000112.4W417 K418 R423 L458 V461 I467W417-L421 HydrophobicContact CB-CD1 4.47Å; W417-L421 WeakPolarHBondContact O-CD1 3.21Å; W417-L421 WeakPolarHBondContact O-CG 3.48Å; W417-L421 PolarHBondContact O-N 3.2Å; K418-L421 PolarHBondContact O-N 2.96Å; L421-R423 PolarHBondContact O-N 3.27Å; L421-L458 HydrophobicContact CD2-CD2 4.31Å; L421-V461 HydrophobicContact CD1-CG1 3.35Å; L421-V461 HydrophobicContact CD2-CB 4.47Å; L421-V461 HydrophobicContact CD2-CG1 3.77Å; L421-V461 HydrophobicContact CG-CG1 4.17Å; L421-I467 HydrophobicContact CD2-CB 4.23Å; L421-I467 HydrophobicContact CD2-CG1 4.39Å; L421-I467 HydrophobicContact CD2-CG2 3.92Å
422S87.1Confident84.7Confident84 Ų8451.5 Ų51.559%0.58726%0.263SS*.THydrogen-bonded Turntrans-80.56.3175.269.90000114.2K418 K419 F420 P424K418-S422 WeakPolarHBondContact O-CB 3.5Å; K418-S422 PolarHBondContact O-N 3.09Å; K418-S422 VanDerWaalsContact O-N 3.08Å; K418-S422 PolarHBondContact O-OG 3.45Å; K419-S422 PolarHBondContact O-OG 2.81Å; K419-S422 VanDerWaalsContact O-OG 3.11Å; F420-S422 PolarHBondContact O-N 2.82Å; S422-P424 WeakPolarHBondContact O-CD 3.38Å
423R90.1Very high86.2Confident68 Ų6849.2 Ų49.226%0.25725%0.251SS..  trans-74.4123.8-179.6-76.8178.7168.5-95.34.6111.5D355 Y401 H405 F420 L421 A425 L426D355-R423 WeakPolarHBondContact OD2-CD 3.3Å; D355-R423 IonicContact OD2-CZ 3.51Å; D355-R423 IonicContact OD2-NH1 3.19Å; D355-R423 PolarHBondContact OD2-NH1 3.5Å; Y401-R423 WeakPolarHBondContact OH-CD 3.11Å; H405-R423 PolarHBondContact CE1-NH2 3.18Å; H405-R423 VanDerWaalsContact ND1-CZ 3.35Å; H405-R423 PolarHBondContact ND1-NH2 2.98Å; F420-R423 VanDerWaalsContact O-CB 3.26Å; F420-R423 WeakPolarHBondContact O-CB 3.48Å; F420-R423 WeakPolarHBondContact O-CG 3.44Å; F420-R423 PolarHBondContact O-N 3.37Å; F420-R423 VanDerWaalsContact O-N 3.11Å; L421-R423 PolarHBondContact O-N 3.27Å; R423-A425 VanDerWaalsContact C-N 3.3Å; R423-A425 PolarHBondContact O-N 3.49Å; R423-L426 HydrophobicContact CB-CB 4.49Å; R423-L426 WeakPolarHBondContact O-CB 3.23Å; R423-L426 PolarHBondContact O-N 3.46Å
424P89.7Confident87.9Confident55 Ų5547.7 Ų47.736%0.35724%0.235SC..THydrogen-bonded Turntrans-57.7-32-175.8-28.135.3000115.9Y354 D355 S422 F428Y354-P424 HydrophobicContact CD1-CB 4.21Å; Y354-P424 HydrophobicContact CE1-CB 3.78Å; D355-P424 WeakPolarHBondContact OD1-CD 3.45Å; S422-P424 WeakPolarHBondContact O-CD 3.38Å; P424-F428 WeakPolarHBondContact O-CD2 3.45Å
425A92.9Very high89Confident0 Ų046.4 Ų46.40%023%0.225CC..THydrogen-bonded Turntrans-75.1-24.4-178.800000113.8F351 Y354 D355 Y401 R423 F428 I429F351-A425 HydrophobicContact CB-CB 3.95Å; F351-A425 HydrophobicContact CD1-CB 4.19Å; Y354-A425 HydrophobicContact CD1-CB 3.91Å; D355-A425 VanDerWaalsContact OD1-CB 3.24Å; D355-A425 WeakPolarHBondContact OD1-CB 3.38Å; D355-A425 PolarHBondContact OD1-N 2.86Å; Y401-A425 HydrophobicContact CE2-CB 4.35Å; R423-A425 VanDerWaalsContact C-N 3.3Å; R423-A425 PolarHBondContact O-N 3.49Å; A425-F428 PolarHBondContact O-N 3.24Å; A425-F428 VanDerWaalsContact O-N 3.17Å; A425-I429 HydrophobicContact CB-CD1 4.4Å; A425-I429 WeakPolarHBondContact O-CG1 3.36Å; A425-I429 PolarHBondContact O-N 3.09Å
426L92.4Very high89.9Confident0 Ų040.5 Ų40.50%019%0.193CC..Hα-helixtrans-60.8-46.2-170179.764000113.9F420 R423 F428 I429 L430 I467F420-L426 HydrophobicContact CD1-CD2 4.16Å; F420-L426 HydrophobicContact CE1-CD1 4.22Å; F420-L426 HydrophobicContact CE1-CD2 3.53Å; F420-L426 HydrophobicContact CZ-CD1 3.73Å; F420-L426 HydrophobicContact CZ-CD2 3.77Å; F420-L426 HydrophobicContact CZ-CG 4.37Å; R423-L426 HydrophobicContact CB-CB 4.49Å; R423-L426 WeakPolarHBondContact O-CB 3.23Å; R423-L426 PolarHBondContact O-N 3.46Å; L426-F428 VanDerWaalsContact C-N 3.28Å; L426-F428 PolarHBondContact O-N 3.17Å; L426-I429 PolarHBondContact O-N 3.38Å; L426-L430 HydrophobicContact CD1-CD1 4.42Å; L426-L430 HydrophobicContact CD1-CG 4.42Å; L426-L430 HydrophobicContact CG-CD1 4.46Å; L426-L430 PolarHBondContact O-N 2.96Å; L426-L430 VanDerWaalsContact O-N 3.17Å; L426-I467 HydrophobicContact CD2-CD1 4.02Å; L426-I467 HydrophobicContact CD2-CG1 4.26Å; L426-I467 HydrophobicContact CD2-CG2 3.96Å; L426-I467 HydrophobicContact CG-CD1 4.08Å; L426-I467 HydrophobicContact CG-CG2 4.5Å
427P92.4Very high90.6Very high22 Ų2235.2 Ų35.214%0.14317%0.166CC..Hα-helixtrans-58.4-39.2175.4-23.432000113.1R431 I467 L470P427-R431 WeakPolarHBondContact O-CB 3.29Å; P427-R431 VanDerWaalsContact O-CG 3.28Å; P427-R431 WeakPolarHBondContact O-CG 3.43Å; P427-R431 PolarHBondContact O-N 3.5Å; P427-R431 VanDerWaalsContact O-N 3.08Å; P427-I467 HydrophobicContact CB-CD1 4.44Å; P427-I467 HydrophobicContact CG-CD1 3.81Å; P427-L470 HydrophobicContact CB-CD1 3.97Å
428F93.8Very high91Very high16 Ų1637.3 Ų37.37%0.0718%0.177CC..Hα-helixtrans-68.3-40.5179.6-65.1-73.6000111.9Y354 K363 L366 D367 C370 P424 A425 L426 L430 R431 L432Y354-F428 HydrophobicContact CE1-CD2 4.34Å; Y354-F428 HydrophobicContact CE1-CE2 4.23Å; Y354-F428 WeakPolarHBondContact OH-CE2 3.48Å; K363-F428 HydrophobicContact CG-CZ 3.9Å; L366-F428 HydrophobicContact CB-CD1 4.3Å; L366-F428 HydrophobicContact CD2-CB 3.5Å; L366-F428 HydrophobicContact CD2-CD1 4.09Å; L366-F428 HydrophobicContact CD2-CD2 3.7Å; L366-F428 HydrophobicContact CD2-CE2 4.45Å; L366-F428 HydrophobicContact CD2-CG 3.49Å; L366-F428 VanDerWaalsContact CD2-CG 3.49Å; L366-F428 HydrophobicContact CG-CB 3.76Å; L366-F428 HydrophobicContact CG-CD1 3.86Å; L366-F428 HydrophobicContact CG-CD2 4.38Å; L366-F428 HydrophobicContact CG-CG 3.75Å; D367-F428 HydrophobicContact CB-CE1 4Å; C370-F428 PolarHBondContact SG-O 2.88Å; P424-F428 WeakPolarHBondContact O-CD2 3.45Å; A425-F428 PolarHBondContact O-N 3.24Å; A425-F428 VanDerWaalsContact O-N 3.17Å; L426-F428 VanDerWaalsContact C-N 3.28Å; L426-F428 PolarHBondContact O-N 3.17Å; F428-L430 PolarHBondContact O-N 3.18Å; F428-R431 PolarHBondContact O-N 3.48Å; F428-L432 WeakPolarHBondContact O-CB 3.48Å; F428-L432 PolarHBondContact O-N 3.23Å
429I94.8Very high91.2Very high0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-58.7-48.9176.1-71.6169.7000110.9F351 A398 Y401 M402 A425 L426 R431 L432 L433F351-I429 HydrophobicContact CB-CD1 3.88Å; F351-I429 HydrophobicContact CB-CG1 4.49Å; F351-I429 HydrophobicContact CD1-CD1 3.81Å; F351-I429 HydrophobicContact CD1-CG1 3.47Å; F351-I429 VanDerWaalsContact CD1-CG1 3.47Å; F351-I429 HydrophobicContact CD2-CD1 4Å; F351-I429 HydrophobicContact CD2-CG1 4.04Å; F351-I429 HydrophobicContact CE1-CD1 4.35Å; F351-I429 HydrophobicContact CE1-CG1 3.54Å; F351-I429 HydrophobicContact CE2-CG1 4.12Å; F351-I429 HydrophobicContact CG-CD1 3.6Å; F351-I429 HydrophobicContact CG-CG1 3.73Å; F351-I429 HydrophobicContact CZ-CG1 3.88Å; A398-I429 HydrophobicContact CB-CG2 4.03Å; Y401-I429 HydrophobicContact CD1-CD1 3.09Å; Y401-I429 HydrophobicContact CD2-CD1 4.4Å; Y401-I429 HydrophobicContact CE1-CD1 3.39Å; Y401-I429 HydrophobicContact CG-CD1 3.65Å; M402-I429 HydrophobicContact CG-CG2 4.01Å; M402-I429 HydrophobicContact SD-CG2 4.04Å; A425-I429 HydrophobicContact CB-CD1 4.4Å; A425-I429 WeakPolarHBondContact O-CG1 3.36Å; A425-I429 PolarHBondContact O-N 3.09Å; L426-I429 PolarHBondContact O-N 3.38Å; I429-R431 PolarHBondContact O-N 3.37Å; I429-L432 PolarHBondContact O-N 3.07Å; I429-L433 HydrophobicContact CG2-CD1 3.75Å; I429-L433 HydrophobicContact CG2-CG 4.32Å; I429-L433 WeakPolarHBondContact O-CB 3.33Å; I429-L433 VanDerWaalsContact O-CG 3.26Å; I429-L433 WeakPolarHBondContact O-CG 3.15Å; I429-L433 PolarHBondContact O-N 3.42Å
430L94.3Very high91.7Very high1 Ų127.9 Ų27.91%0.00514%0.138CC..Hα-helixtrans-64.7-42.3-179-65.1174.5000111.7M402 L426 F428 R434 L455 L458 I467 L470 A471 L474M402-L430 HydrophobicContact SD-CD2 4.26Å; L426-L430 HydrophobicContact CD1-CD1 4.42Å; L426-L430 HydrophobicContact CD1-CG 4.42Å; L426-L430 HydrophobicContact CG-CD1 4.46Å; L426-L430 PolarHBondContact O-N 2.96Å; L426-L430 VanDerWaalsContact O-N 3.17Å; F428-L430 PolarHBondContact O-N 3.18Å; L430-R434 VanDerWaalsContact O-CB 3.3Å; L430-R434 WeakPolarHBondContact O-CB 3.31Å; L430-R434 PolarHBondContact O-N 3.48Å; L430-L455 HydrophobicContact CD2-CD2 3.89Å; L430-L458 HydrophobicContact CD2-CD1 4.44Å; L430-I467 HydrophobicContact CD1-CG2 3.9Å; L430-L470 HydrophobicContact CB-CB 3.89Å; L430-L470 HydrophobicContact CD1-CB 3.74Å; L430-L470 HydrophobicContact CG-CB 4.47Å; L430-A471 HydrophobicContact CD1-CB 4.48Å; L430-L474 HydrophobicContact CD2-CD2 4.06Å
431R94.6Very high91.8Very high81 Ų8130.9 Ų30.931%0.30616%0.158SC..Hα-helixtrans-63.6-43.6175.8-72.4172.664-155.4-3.6112.3D367 C370 P427 F428 I429 R434 G435 L470D367-R431 IonicContact OD1-CZ 2.67Å; D367-R431 VanDerWaalsContact OD1-CZ 3.26Å; D367-R431 IonicContact OD1-NH1 3.39Å; D367-R431 PolarHBondContact OD1-NH1 3.33Å; D367-R431 IonicContact OD1-NH2 3.41Å; D367-R431 PolarHBondContact OD1-NH2 2.87Å; C370-R431 HydrophobicContact CB-CB 4.3Å; P427-R431 WeakPolarHBondContact O-CB 3.29Å; P427-R431 VanDerWaalsContact O-CG 3.28Å; P427-R431 WeakPolarHBondContact O-CG 3.43Å; P427-R431 PolarHBondContact O-N 3.5Å; P427-R431 VanDerWaalsContact O-N 3.08Å; F428-R431 PolarHBondContact O-N 3.48Å; I429-R431 PolarHBondContact O-N 3.37Å; R431-R434 PolarHBondContact O-N 2.9Å; R431-G435 PolarHBondContact O-N 3.17Å; R431-L470 HydrophobicContact CG-CD2 3.9Å
432L94.8Very high92Very high1 Ų131.5 Ų31.51%0.00517%0.168CC..Hα-helixtrans-65.5-50.7179.7-179.362.3000111.2F351 F369 A373 I394 F428 I429 R434 G435 L436F351-L432 HydrophobicContact CZ-CD2 4.08Å; F369-L432 HydrophobicContact CD1-CD1 3.65Å; F369-L432 HydrophobicContact CD1-CD2 4.17Å; F369-L432 HydrophobicContact CE1-CD1 3.6Å; F369-L432 HydrophobicContact CE1-CD2 4.04Å; F369-L432 HydrophobicContact CE1-CG 4.47Å; F369-L432 HydrophobicContact CG-CD1 4.49Å; F369-L432 HydrophobicContact CZ-CD1 4.42Å; A373-L432 HydrophobicContact CB-CD1 3.68Å; I394-L432 HydrophobicContact CG2-CD2 3.98Å; F428-L432 WeakPolarHBondContact O-CB 3.48Å; F428-L432 PolarHBondContact O-N 3.23Å; I429-L432 PolarHBondContact O-N 3.07Å; L432-R434 VanDerWaalsContact C-N 3.25Å; L432-R434 PolarHBondContact O-N 3.47Å; L432-G435 PolarHBondContact O-N 3.15Å; L432-L436 HydrophobicContact CD1-CD1 4.12Å; L432-L436 HydrophobicContact CD1-CG 4.36Å; L432-L436 HydrophobicContact CG-CD1 4.08Å; L432-L436 WeakPolarHBondContact O-CG 3.29Å; L432-L436 PolarHBondContact O-N 2.92Å
433L95.1Very high92.3Very high1 Ų127.5 Ų27.51%0.00514%0.14CC..Hα-helixtrans-59.3-38.7177.6-71.1176.1000111.4T395 A398 L399 M402 I429 L436 A437 I447 L474T395-L433 HydrophobicContact CG2-CD2 3.73Å; A398-L433 HydrophobicContact CB-CD1 4.31Å; A398-L433 HydrophobicContact CB-CD2 3.94Å; A398-L433 HydrophobicContact CB-CG 4.16Å; L399-L433 HydrophobicContact CD2-CD1 4Å; L399-L433 HydrophobicContact CD2-CD2 4.37Å; M402-L433 HydrophobicContact CE-CD1 3.42Å; M402-L433 VanDerWaalsContact CE-CD1 3.42Å; M402-L433 HydrophobicContact SD-CD1 4.23Å; I429-L433 HydrophobicContact CG2-CD1 3.75Å; I429-L433 HydrophobicContact CG2-CG 4.32Å; I429-L433 WeakPolarHBondContact O-CB 3.33Å; I429-L433 VanDerWaalsContact O-CG 3.26Å; I429-L433 WeakPolarHBondContact O-CG 3.15Å; I429-L433 PolarHBondContact O-N 3.42Å; L433-L436 PolarHBondContact O-N 3.04Å; L433-A437 WeakPolarHBondContact O-CB 3.49Å; L433-A437 PolarHBondContact O-N 3.16Å; L433-I447 HydrophobicContact CB-CD1 4.23Å; L433-I447 HydrophobicContact CD2-CD1 4.07Å; L433-I447 HydrophobicContact CD2-CG1 4.38Å; L433-L474 HydrophobicContact CB-CD1 4Å; L433-L474 HydrophobicContact CB-CD2 3.83Å; L433-L474 HydrophobicContact CD1-CD2 4.2Å
434R94.2Very high92.5Very high97 Ų9724.5 Ų24.537%0.36613%0.129SC..Hα-helixtrans-61.4-52.5175.7177.7-173.1176.3-1122.2111L430 R431 L432 L436 A437 I438 L474 A477L430-R434 VanDerWaalsContact O-CB 3.3Å; L430-R434 WeakPolarHBondContact O-CB 3.31Å; L430-R434 PolarHBondContact O-N 3.48Å; R431-R434 PolarHBondContact O-N 2.9Å; L432-R434 VanDerWaalsContact C-N 3.25Å; L432-R434 PolarHBondContact O-N 3.47Å; R434-L436 VanDerWaalsContact C-N 3.26Å; R434-L436 PolarHBondContact O-N 3Å; R434-A437 PolarHBondContact O-N 3.24Å; R434-A437 VanDerWaalsContact O-N 3.09Å; R434-I438 HydrophobicContact CG-CD1 4.27Å; R434-I438 WeakPolarHBondContact O-CG1 3.15Å; R434-I438 PolarHBondContact O-N 3.43Å; R434-I438 VanDerWaalsContact O-N 3.12Å; R434-L474 HydrophobicContact CB-CB 4.31Å; R434-L474 HydrophobicContact CB-CD1 4.27Å; R434-A477 HydrophobicContact CG-CB 4.29Å
435G91.5Very high92.6Very high2 Ų225 Ų252%0.02113%0.131CC..Hα-helixtrans-57.2-40.8179.700000112.6A373 R431 L432A373-G435 CarbonylContact O-C 3.48Å; R431-G435 PolarHBondContact O-N 3.17Å; L432-G435 PolarHBondContact O-N 3.15Å
436L93.1Very high92.5Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-74.7-23.4177.9-63.1175.9000114.1A373 K386 I389 L432 L433 R434 H440 T443A373-L436 HydrophobicContact CB-CD2 3.97Å; A373-L436 HydrophobicContact CB-CG 4.18Å; K386-L436 HydrophobicContact CG-CD2 4.33Å; I389-L436 HydrophobicContact CB-CD2 4.43Å; I389-L436 HydrophobicContact CD1-CD2 3.76Å; I389-L436 HydrophobicContact CG2-CD1 3.74Å; I389-L436 HydrophobicContact CG2-CD2 3.97Å; L432-L436 HydrophobicContact CD1-CD1 4.12Å; L432-L436 HydrophobicContact CD1-CG 4.36Å; L432-L436 HydrophobicContact CG-CD1 4.08Å; L432-L436 WeakPolarHBondContact O-CG 3.29Å; L432-L436 PolarHBondContact O-N 2.92Å; L433-L436 PolarHBondContact O-N 3.04Å; R434-L436 VanDerWaalsContact C-N 3.26Å; R434-L436 PolarHBondContact O-N 3Å; L436-H440 WeakPolarHBondContact O-CB 3.46Å; L436-T443 HydrophobicContact CB-CG2 3.89Å; L436-T443 VanDerWaalsContact O-CB 3.27Å; L436-T443 WeakPolarHBondContact O-CB 3.18Å; L436-T443 PolarHBondContact O-OG1 3.47Å; L436-T443 VanDerWaalsContact O-OG1 3.1Å
437A92.6Very high92.5Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-85.5-29.3-178.700000113.3L433 R434 Q439 H440 T443 Q444 I447 L474 A477 L478L433-A437 WeakPolarHBondContact O-CB 3.49Å; L433-A437 PolarHBondContact O-N 3.16Å; R434-A437 PolarHBondContact O-N 3.24Å; R434-A437 VanDerWaalsContact O-N 3.09Å; A437-Q439 PolarHBondContact O-N 2.97Å; A437-Q439 VanDerWaalsContact O-N 3.15Å; A437-H440 PolarHBondContact O-N 3.47Å; A437-T443 HydrophobicContact CB-CG2 4.33Å; A437-Q444 HydrophobicContact CB-CG 4.44Å; A437-Q444 WeakPolarHBondContact O-CG 3.21Å; A437-Q444 PolarHBondContact O-NE2 3.19Å; A437-I447 HydrophobicContact CB-CD1 4.08Å; A437-L474 HydrophobicContact CB-CD1 4.17Å; A437-A477 HydrophobicContact CB-CB 4.45Å; A437-L478 HydrophobicContact CB-CD2 3.86Å; A437-L478 HydrophobicContact CB-CG 4.47Å
438I90.7Very high92.3Very high46 Ų4626.5 Ų26.524%0.23614%0.138CC..THydrogen-bonded Turntrans-57.3121.5178.7-68.9164.7000109.2K386 R434 H440 A477K386-I438 PolarHBondContact NZ-O 3.47Å; R434-I438 HydrophobicContact CG-CD1 4.27Å; R434-I438 WeakPolarHBondContact O-CG1 3.15Å; R434-I438 PolarHBondContact O-N 3.43Å; R434-I438 VanDerWaalsContact O-N 3.12Å; I438-H440 PolarHBondContact O-N 3.22Å; I438-H440 VanDerWaalsContact O-N 3.13Å; I438-A477 HydrophobicContact CG1-CB 3.76Å
439Q86.1Confident91.9Very high84 Ų8429.4 Ų29.439%0.39316%0.157SC..THydrogen-bonded Turntrans54.531173.5-60.8174.4-15.400114.1N378 H383 A437 E480N378-Q439 HydrophobicContact CB-CB 4.32Å; N378-Q439 PolarHBondContact ND2-OE1 3.35Å; H383-Q439 PolarHBondContact CE1-O 2.93Å; H383-Q439 PolarHBondContact NE2-O 2.9Å; H383-Q439 VanDerWaalsContact NE2-O 3.1Å; A437-Q439 PolarHBondContact O-N 2.97Å; A437-Q439 VanDerWaalsContact O-N 3.15Å; Q439-E480 WeakPolarHBondContact CA-OE2 3.26Å; Q439-E480 WeakPolarHBondContact CG-OE2 3.31Å; Q439-E480 PolarHBondContact N-OE2 2.98Å
440H92.4Very high91.3Very high4 Ų434.5 Ų34.52%0.01918%0.184CC..  trans-133.799.1179.9-171.2-110.9000112.8K386 D387 L436 A437 I438 G442 T443 Q444K386-H440 HydrophobicContact CD-CB 3.6Å; D387-H440 IonicContact OD1-CE1 3.64Å; D387-H440 PolarHBondContact OD1-CE1 3.42Å; D387-H440 IonicContact OD1-NE2 2.81Å; D387-H440 PolarHBondContact OD1-NE2 2.83Å; L436-H440 WeakPolarHBondContact O-CB 3.46Å; A437-H440 PolarHBondContact O-N 3.47Å; I438-H440 PolarHBondContact O-N 3.22Å; I438-H440 VanDerWaalsContact O-N 3.13Å; H440-G442 VanDerWaalsContact C-N 3.35Å; H440-G442 PolarHBondContact O-N 2.77Å; H440-T443 PolarHBondContact ND1-N 2.87Å; H440-T443 PolarHBondContact ND1-OG1 2.83Å; H440-T443 PolarHBondContact O-N 3.3Å; H440-Q444 VanDerWaalsContact O-CG 3.27Å; H440-Q444 WeakPolarHBondContact O-CG 3.33Å; H440-Q444 PolarHBondContact O-N 2.89Å; H440-Q444 VanDerWaalsContact O-N 3.11Å
441P90.4Very high91Very high68 Ų6835.1 Ų35.144%0.44219%0.189SC..Hα-helixtrans-56.6-40.3-174.9-28.736.2000114.6T443 Q444 V445P441-T443 PolarHBondContact O-N 3.36Å; P441-Q444 PolarHBondContact O-N 3.34Å; P441-V445 VanDerWaalsContact O-CG2 3.32Å; P441-V445 WeakPolarHBondContact O-CG2 3.47Å; P441-V445 PolarHBondContact O-N 3.32Å
442G89.7Confident90.8Very high31 Ų3131.5 Ų31.532%0.3218%0.175SC..Hα-helixtrans-60.6-44-178.300000113.1H440 L446H440-G442 VanDerWaalsContact C-N 3.35Å; H440-G442 PolarHBondContact O-N 2.77Å; G442-L446 PolarHBondContact O-N 3.46Å
443T92.4Very high90.5Very high0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-69.7-41.9175.8-53.50000110.9T395 L436 A437 H440 P441 V445 L446 I447T395-T443 HydrophobicContact CG2-CG2 3.97Å; L436-T443 HydrophobicContact CB-CG2 3.89Å; L436-T443 VanDerWaalsContact O-CB 3.27Å; L436-T443 WeakPolarHBondContact O-CB 3.18Å; L436-T443 PolarHBondContact O-OG1 3.47Å; L436-T443 VanDerWaalsContact O-OG1 3.1Å; A437-T443 HydrophobicContact CB-CG2 4.33Å; H440-T443 PolarHBondContact ND1-N 2.87Å; H440-T443 PolarHBondContact ND1-OG1 2.83Å; H440-T443 PolarHBondContact O-N 3.3Å; P441-T443 PolarHBondContact O-N 3.36Å; T443-V445 VanDerWaalsContact C-N 3.35Å; T443-V445 PolarHBondContact O-N 3.29Å; T443-L446 PolarHBondContact O-N 3.23Å; T443-I447 HydrophobicContact CG2-CD1 3.53Å; T443-I447 HydrophobicContact CG2-CG1 4.19Å; T443-I447 WeakPolarHBondContact O-CG1 3.48Å; T443-I447 PolarHBondContact O-N 2.87Å
444Q93.9Very high90.1Very high5 Ų536.8 Ų36.82%0.02321%0.208CC..Hα-helixtrans-59.2-45.4-179.7-69.3166.5-16.200111.7A437 H440 P441 G448 A477 L478 E480 H481A437-Q444 HydrophobicContact CB-CG 4.44Å; A437-Q444 WeakPolarHBondContact O-CG 3.21Å; A437-Q444 PolarHBondContact O-NE2 3.19Å; H440-Q444 VanDerWaalsContact O-CG 3.27Å; H440-Q444 WeakPolarHBondContact O-CG 3.33Å; H440-Q444 PolarHBondContact O-N 2.89Å; H440-Q444 VanDerWaalsContact O-N 3.11Å; P441-Q444 PolarHBondContact O-N 3.34Å; Q444-G448 WeakPolarHBondContact O-CA 3.49Å; Q444-G448 PolarHBondContact O-N 2.97Å; Q444-A477 PolarHBondContact NE2-O 3.46Å; Q444-L478 HydrophobicContact CB-CD2 4.15Å; Q444-L478 HydrophobicContact CG-CD2 4.1Å; Q444-E480 PolarHBondContact NE2-OE2 3.42Å; Q444-E480 VanDerWaalsContact NE2-OE2 3.11Å; Q444-H481 HydrophobicContact CB-CB 3.97Å
445V92.7Very high89.9Confident67 Ų6732.2 Ų32.241%0.40619%0.191SC..Hα-helixtrans-65.1-43.7177.5172.70000111.5P441 T443 G448 T449 H481P441-V445 VanDerWaalsContact O-CG2 3.32Å; P441-V445 WeakPolarHBondContact O-CG2 3.47Å; P441-V445 PolarHBondContact O-N 3.32Å; T443-V445 VanDerWaalsContact C-N 3.35Å; T443-V445 PolarHBondContact O-N 3.29Å; V445-G448 CarbonylContact O-C 3.59Å; V445-G448 PolarHBondContact O-N 3.32Å; V445-T449 PolarHBondContact O-N 3.05Å; V445-T449 VanDerWaalsContact O-N 3.08Å; V445-T449 PolarHBondContact O-OG1 3.36Å; V445-H481 WeakPolarHBondContact CG2-NE2 3.41Å
446L91.7Very high89.8Confident51 Ų5132.9 Ų32.927%0.26719%0.193SC..Hα-helixtrans-60.3-49.5179.2-177.465.1000111.3L390 T395 L399 G442 T443 G448 T449L390-L446 HydrophobicContact CD1-CB 4.48Å; L390-L446 HydrophobicContact CD1-CD2 3.4Å; L390-L446 VanDerWaalsContact CD1-CD2 3.4Å; T395-L446 HydrophobicContact CG2-CD2 3.92Å; L399-L446 HydrophobicContact CD1-CD2 4.19Å; L399-L446 HydrophobicContact CD1-CG 3.86Å; G442-L446 PolarHBondContact O-N 3.46Å; T443-L446 PolarHBondContact O-N 3.23Å; L446-G448 VanDerWaalsContact C-N 3.33Å; L446-G448 PolarHBondContact O-N 3.42Å; L446-T449 PolarHBondContact O-N 3.05Å
447I91.7Very high89.4Confident0 Ų036.6 Ų36.60%021%0.21CC..Hα-helixtrans-65.3-41.3178.2-59.7167000110.3L399 L433 A437 T443 T449 S451 L455 L474 L478L399-I447 HydrophobicContact CD1-CG1 4.36Å; L399-I447 HydrophobicContact CD2-CG1 4.17Å; L399-I447 HydrophobicContact CD2-CG2 4.36Å; L433-I447 HydrophobicContact CB-CD1 4.23Å; L433-I447 HydrophobicContact CD2-CD1 4.07Å; L433-I447 HydrophobicContact CD2-CG1 4.38Å; A437-I447 HydrophobicContact CB-CD1 4.08Å; T443-I447 HydrophobicContact CG2-CD1 3.53Å; T443-I447 HydrophobicContact CG2-CG1 4.19Å; T443-I447 WeakPolarHBondContact O-CG1 3.48Å; T443-I447 PolarHBondContact O-N 2.87Å; I447-T449 PolarHBondContact O-N 2.97Å; I447-S451 VanDerWaalsContact O-CB 3.28Å; I447-S451 WeakPolarHBondContact O-CB 3.09Å; I447-S451 PolarHBondContact O-N 3.27Å; I447-L455 HydrophobicContact CG2-CD1 3.81Å; I447-L474 HydrophobicContact CD1-CD1 4.36Å; I447-L478 HydrophobicContact CB-CD1 4.35Å; I447-L478 HydrophobicContact CB-CD2 3.91Å; I447-L478 HydrophobicContact CD1-CD2 4Å; I447-L478 HydrophobicContact CG2-CD1 3.62Å; I447-L478 HydrophobicContact CG2-CD2 4.08Å
448G87.2Confident89Confident2 Ų236.6 Ų36.62%0.02121%0.21CC..Hα-helixtrans-68.9-6.7-179.100000115.9Q444 V445 L446 K487Q444-G448 WeakPolarHBondContact O-CA 3.49Å; Q444-G448 PolarHBondContact O-N 2.97Å; V445-G448 CarbonylContact O-C 3.59Å; V445-G448 PolarHBondContact O-N 3.32Å; L446-G448 VanDerWaalsContact C-N 3.33Å; L446-G448 PolarHBondContact O-N 3.42Å; G448-K487 VanDerWaalsContact O-CD 3.31Å; G448-K487 WeakPolarHBondContact O-CD 3.39Å; G448-K487 PolarHBondContact O-NZ 2.78Å
449T86.8Confident88.7Confident76 Ų7636.3 Ų36.347%0.46621%0.207SC..Hα-helixtrans-71.6-58.2179.3-62.20000110.8V445 L446 I447V445-T449 PolarHBondContact O-N 3.05Å; V445-T449 VanDerWaalsContact O-N 3.08Å; V445-T449 PolarHBondContact O-OG1 3.36Å; L446-T449 PolarHBondContact O-N 3.05Å; I447-T449 PolarHBondContact O-N 2.97Å
450D81.3Confident88.3Confident107 Ų10735.4 Ų35.457%0.57220%0.203SC*.Hα-helixtrans-130.4-7-171.7-71.7-21.8000115
451S89Confident87.5Confident14 Ų1435.9 Ų35.910%0.09821%0.206CC..  trans-96.4-14.1-168.9-53.30000114.2L399 I447 N454 L455L399-S451 WeakPolarHBondContact CD2-OG 3.42Å; I447-S451 VanDerWaalsContact O-CB 3.28Å; I447-S451 WeakPolarHBondContact O-CB 3.09Å; I447-S451 PolarHBondContact O-N 3.27Å; S451-N454 WeakPolarHBondContact O-CB 3.4Å; S451-N454 PolarHBondContact O-N 3.25Å; S451-N454 VanDerWaalsContact O-N 3.1Å; S451-L455 WeakPolarHBondContact O-CG 3.23Å; S451-L455 PolarHBondContact O-N 2.91Å
452I90.3Very high86.2Confident5 Ų538.6 Ų38.63%0.02623%0.226CC..Hα-helixtrans-56.8-47.6-175.6-58-59.4000113.3N454 L455 H456 L475 L478 V484 I488 A491I452-N454 PolarHBondContact O-N 3.2Å; I452-L455 PolarHBondContact O-N 3.47Å; I452-H456 WeakPolarHBondContact O-CB 3.25Å; I452-H456 PolarHBondContact O-N 3.08Å; I452-L475 HydrophobicContact CD1-CD2 4.17Å; I452-L478 HydrophobicContact CD1-CD1 3.88Å; I452-V484 HydrophobicContact CD1-CG1 3.77Å; I452-V484 HydrophobicContact CG1-CG1 4.36Å; I452-I488 HydrophobicContact CD1-CD1 4.22Å; I452-I488 HydrophobicContact CD1-CG1 3.86Å; I452-I488 HydrophobicContact CG1-CG1 4.46Å; I452-I488 HydrophobicContact CG2-CB 4.45Å; I452-I488 HydrophobicContact CG2-CG1 3.79Å; I452-A491 HydrophobicContact CG2-CB 4.34Å
453P87.3Confident85.2Confident75 Ų7538.3 Ų38.349%0.48722%0.22SC..Hα-helixtrans-63.4-32.1179-22.134.8000112.8K457P453-K457 WeakPolarHBondContact O-CG 3.46Å; P453-K457 PolarHBondContact O-N 2.83Å
454N87.8Confident83.5Confident39 Ų3946.8 Ų46.821%0.20927%0.265CS..Hα-helixtrans-75.3-42.5179.5-75.7-17.9000111.5I406 S451 I452 K457 L458I406-N454 HydrophobicContact CD1-CB 3.7Å; S451-N454 WeakPolarHBondContact O-CB 3.4Å; S451-N454 PolarHBondContact O-N 3.25Å; S451-N454 VanDerWaalsContact O-N 3.1Å; I452-N454 PolarHBondContact O-N 3.2Å; N454-K457 WeakPolarHBondContact O-CB 3.48Å; N454-K457 PolarHBondContact O-N 3.49Å; N454-L458 WeakPolarHBondContact O-CG 3.33Å; N454-L458 PolarHBondContact O-N 3.13Å
455L90.1Very high82Confident0 Ų053.1 Ų53.10%030%0.295CS..Hα-helixtrans-64.1-40.7173.6-68175.6000111.8M402 L430 I447 S451 I452 K457 L458 E459 L474 L475 L478M402-L455 HydrophobicContact CE-CD2 4.31Å; M402-L455 HydrophobicContact SD-CD2 3.99Å; L430-L455 HydrophobicContact CD2-CD2 3.89Å; I447-L455 HydrophobicContact CG2-CD1 3.81Å; S451-L455 WeakPolarHBondContact O-CG 3.23Å; S451-L455 PolarHBondContact O-N 2.91Å; I452-L455 PolarHBondContact O-N 3.47Å; L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 3.25Å; L455-L458 HydrophobicContact CD2-CD1 4.43Å; L455-L458 WeakPolarHBondContact O-CB 3.33Å; L455-L458 PolarHBondContact O-N 3.31Å; L455-L458 VanDerWaalsContact O-N 3.09Å; L455-E459 PolarHBondContact O-N 2.89Å; L455-L474 HydrophobicContact CD1-CD2 3.8Å; L455-L474 HydrophobicContact CD1-CG 4.13Å; L455-L474 HydrophobicContact CD2-CD2 3.7Å; L455-L474 HydrophobicContact CG-CD2 4.41Å; L455-L475 HydrophobicContact CB-CD1 4.33Å; L455-L475 HydrophobicContact CB-CD2 3.83Å; L455-L475 HydrophobicContact CB-CG 4.07Å; L455-L475 HydrophobicContact CD1-CD2 4.31Å; L455-L478 HydrophobicContact CD1-CD1 4.05Å
456H88.3Confident81.3Confident16 Ų1651.2 Ų51.27%0.07429%0.289CS..Hα-helixtrans-66.4-26.4176.4-176.149.6000113.2I452 E459 Q460 A491 R492 T495I452-H456 WeakPolarHBondContact O-CB 3.25Å; I452-H456 PolarHBondContact O-N 3.08Å; H456-E459 IonicContact CE1-OE2 3.49Å; H456-E459 PolarHBondContact CE1-OE2 3.04Å; H456-E459 IonicContact CG-OE2 2.65Å; H456-E459 IonicContact ND1-OE2 3.81Å; H456-E459 PolarHBondContact ND1-OE2 3.09Å; H456-Q460 PolarHBondContact NE2-NE2 3.12Å; H456-Q460 WeakPolarHBondContact O-CG 3.34Å; H456-Q460 PolarHBondContact O-NE2 3.31Å; H456-Q460 VanDerWaalsContact O-NE2 3.08Å; H456-A491 HydrophobicContact CB-CB 4.44Å; H456-R492 VanDerWaalsContact CE1-CG 3.45Å; H456-R492 WeakPolarHBondContact CE1-CG 3.28Å; H456-T495 PolarHBondContact CD2-OG1 3.37Å; H456-T495 VanDerWaalsContact CD2-OG1 3.31Å; H456-T495 WeakPolarHBondContact NE2-CB 3.43Å; H456-T495 PolarHBondContact NE2-OG1 2.71Å
457K85.2Confident81Confident79 Ų7948.8 Ų48.834%0.34328%0.276SS..Hα-helixtrans-69.5-44169.2-73.8166.8-178.1172.50111W417 P453 N454 L455 E459 Q460 V461W417-K457 HydrophobicContact CH2-CB 4.16Å; P453-K457 WeakPolarHBondContact O-CG 3.46Å; P453-K457 PolarHBondContact O-N 2.83Å; N454-K457 WeakPolarHBondContact O-CB 3.48Å; N454-K457 PolarHBondContact O-N 3.49Å; L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 3.25Å; K457-E459 VanDerWaalsContact C-N 3.32Å; K457-E459 PolarHBondContact O-N 3.46Å; K457-Q460 PolarHBondContact O-N 3.29Å; K457-Q460 VanDerWaalsContact O-N 3.12Å; K457-V461 WeakPolarHBondContact O-CG2 3.49Å
458L85.1Confident80.5Confident0 Ų049.2 Ų49.20%028%0.28CS..Hα-helixtrans-62.9-39178.5-64.9172.8000112I406 W417 F420 L421 L430 N454 L455 Q460 V461 I467 G468 A471I406-L458 HydrophobicContact CD1-CD1 4.24Å; W417-L458 HydrophobicContact CZ3-CD2 3.83Å; F420-L458 HydrophobicContact CD1-CD2 4.42Å; F420-L458 HydrophobicContact CE1-CD2 3.65Å; L421-L458 HydrophobicContact CD2-CD2 4.31Å; L430-L458 HydrophobicContact CD2-CD1 4.44Å; N454-L458 WeakPolarHBondContact O-CG 3.33Å; N454-L458 PolarHBondContact O-N 3.13Å; L455-L458 HydrophobicContact CD2-CD1 4.43Å; L455-L458 WeakPolarHBondContact O-CB 3.33Å; L455-L458 PolarHBondContact O-N 3.31Å; L455-L458 VanDerWaalsContact O-N 3.09Å; L458-Q460 PolarHBondContact O-N 3.04Å; L458-Q460 VanDerWaalsContact O-N 3.14Å; L458-V461 WeakPolarHBondContact O-CB 3.46Å; L458-V461 PolarHBondContact O-N 3.34Å; L458-I467 HydrophobicContact CD2-CG2 4.3Å; L458-G468 VanDerWaalsContact O-CA 3.3Å; L458-G468 WeakPolarHBondContact O-CA 3.18Å; L458-A471 HydrophobicContact CB-CB 3.6Å
459E82.9Confident80.3Confident40 Ų4052.9 Ų52.919%0.18730%0.302CS..Hα-helixtrans-52.9-31.5172.8-179.9-175.1-166.300112.9L455 H456 K457 V461 E472 L475 R492L455-E459 PolarHBondContact O-N 2.89Å; H456-E459 IonicContact CE1-OE2 3.49Å; H456-E459 PolarHBondContact CE1-OE2 3.04Å; H456-E459 IonicContact CG-OE2 2.65Å; H456-E459 IonicContact ND1-OE2 3.81Å; H456-E459 PolarHBondContact ND1-OE2 3.09Å; K457-E459 VanDerWaalsContact C-N 3.32Å; K457-E459 PolarHBondContact O-N 3.46Å; E459-V461 VanDerWaalsContact C-N 3.34Å; E459-E472 HydrophobicContact CG-CB 4.19Å; E459-L475 HydrophobicContact CB-CD1 4.07Å; E459-L475 HydrophobicContact CG-CD1 4.39Å; E459-L475 VanDerWaalsContact OE2-CD1 3.24Å; E459-L475 WeakPolarHBondContact OE2-CD1 3.49Å; E459-R492 IonicContact OE1-CZ 2.91Å; E459-R492 VanDerWaalsContact OE1-CZ 3.27Å; E459-R492 IonicContact OE1-NE 3.8Å; E459-R492 PolarHBondContact OE1-NE 3Å; E459-R492 VanDerWaalsContact OE1-NE 3.12Å; E459-R492 IonicContact OE1-NH2 3.39Å; E459-R492 PolarHBondContact OE1-NH2 3.32Å; E459-R492 IonicContact OE2-NE 3.81Å; E459-R492 PolarHBondContact OE2-NE 3.23Å; E459-R492 IonicContact OE2-NH2 3.18Å
460Q77.6Confident80.3Confident65 Ų6551 Ų5130%0.30429%0.289SS..THydrogen-bonded Turntrans-87.7-1.6-177.5-67.1177.569.100114.1L412 H456 K457 L458 T495L412-Q460 HydrophobicContact CD1-CB 4Å; H456-Q460 PolarHBondContact NE2-NE2 3.12Å; H456-Q460 WeakPolarHBondContact O-CG 3.34Å; H456-Q460 PolarHBondContact O-NE2 3.31Å; H456-Q460 VanDerWaalsContact O-NE2 3.08Å; K457-Q460 PolarHBondContact O-N 3.29Å; K457-Q460 VanDerWaalsContact O-N 3.12Å; L458-Q460 PolarHBondContact O-N 3.04Å; L458-Q460 VanDerWaalsContact O-N 3.14Å; Q460-T495 VanDerWaalsContact OE1-CG2 3.28Å
461V75.4Confident80.6Confident13 Ų1345.9 Ų45.98%0.07926%0.262CS..  trans-96.4129-175.5176.40000110.2L412 W417 L421 K457 L458 E459L412-V461 HydrophobicContact CB-CG2 4.4Å; L412-V461 HydrophobicContact CD1-CG2 4.26Å; L412-V461 HydrophobicContact CD2-CG2 3.95Å; L412-V461 HydrophobicContact CG-CG2 4.42Å; W417-V461 HydrophobicContact CE3-CG2 4.45Å; W417-V461 HydrophobicContact CZ3-CG2 4.49Å; L421-V461 HydrophobicContact CD1-CG1 3.35Å; L421-V461 HydrophobicContact CD2-CB 4.47Å; L421-V461 HydrophobicContact CD2-CG1 3.77Å; L421-V461 HydrophobicContact CG-CG1 4.17Å; K457-V461 WeakPolarHBondContact O-CG2 3.49Å; L458-V461 WeakPolarHBondContact O-CB 3.46Å; L458-V461 PolarHBondContact O-N 3.34Å; E459-V461 VanDerWaalsContact C-N 3.34Å
462S63Low80.5Confident125 Ų12549.3 Ų49.387%0.87428%0.276SS*.  trans-84.5126.8165.2-172.40000109.4
463S69.9Low80.5Confident26 Ų2652.1 Ų52.118%0.18229%0.291CS..  trans-145.6144.918068.30000110.5E465 G466 I467S463-E465 PolarHBondContact O-N 3.36Å; S463-E465 VanDerWaalsContact O-N 3.15Å; S463-G466 PolarHBondContact O-N 3.21Å; S463-G466 PolarHBondContact OG-N 3.06Å; S463-I467 WeakPolarHBondContact OG-CB 3.43Å; S463-I467 WeakPolarHBondContact OG-CG1 3.37Å; S463-I467 PolarHBondContact OG-N 3.31Å
464D56.1Low80.7Confident178 Ų17848.5 Ų48.595%0.95227%0.268SS*.THydrogen-bonded Turntrans-58.6-28.6179.5-58.5-31.6000113.5G466D464-G466 VanDerWaalsContact C-N 3.34Å
465E63.1Low80.8Confident138 Ų13846.7 Ų46.765%0.64526%0.258SS*.THydrogen-bonded Turntrans-88.17.8178.6-67.6-72.2159.600113.8S463 I467S463-E465 PolarHBondContact O-N 3.36Å; S463-E465 VanDerWaalsContact O-N 3.15Å; E465-I467 VanDerWaalsContact C-N 3.32Å; E465-I467 HydrophobicContact CB-CD1 4.33Å; E465-I467 HydrophobicContact CB-CG1 4.31Å; E465-I467 PolarHBondContact O-N 3.02Å
466G78.5Confident80.8Confident27 Ų2750 Ų5028%0.27827%0.274SS..  trans65.925.6177.200000115.5S463 D464 G468 T469 L470S463-G466 PolarHBondContact O-N 3.21Å; S463-G466 PolarHBondContact OG-N 3.06Å; D464-G466 VanDerWaalsContact C-N 3.34Å; G466-G468 VanDerWaalsContact C-N 3.28Å; G466-G468 PolarHBondContact O-N 2.65Å; G466-T469 PolarHBondContact O-N 3.03Å; G466-T469 VanDerWaalsContact O-N 3.16Å; G466-L470 PolarHBondContact O-N 3.3Å
467I85.4Confident80.9Confident0 Ų049.7 Ų49.70%027%0.273CS..Hα-helixtrans-56-40-179.1-59.8-58000112.3L421 L426 P427 L430 L458 S463 E465 T469 L470 A471L421-I467 HydrophobicContact CD2-CB 4.23Å; L421-I467 HydrophobicContact CD2-CG1 4.39Å; L421-I467 HydrophobicContact CD2-CG2 3.92Å; L426-I467 HydrophobicContact CD2-CD1 4.02Å; L426-I467 HydrophobicContact CD2-CG1 4.26Å; L426-I467 HydrophobicContact CD2-CG2 3.96Å; L426-I467 HydrophobicContact CG-CD1 4.08Å; L426-I467 HydrophobicContact CG-CG2 4.5Å; P427-I467 HydrophobicContact CB-CD1 4.44Å; P427-I467 HydrophobicContact CG-CD1 3.81Å; L430-I467 HydrophobicContact CD1-CG2 3.9Å; L458-I467 HydrophobicContact CD2-CG2 4.3Å; S463-I467 WeakPolarHBondContact OG-CB 3.43Å; S463-I467 WeakPolarHBondContact OG-CG1 3.37Å; S463-I467 PolarHBondContact OG-N 3.31Å; E465-I467 VanDerWaalsContact C-N 3.32Å; E465-I467 HydrophobicContact CB-CD1 4.33Å; E465-I467 HydrophobicContact CB-CG1 4.31Å; E465-I467 PolarHBondContact O-N 3.02Å; I467-T469 PolarHBondContact O-N 2.91Å; I467-L470 HydrophobicContact CD1-CD1 4.44Å; I467-L470 PolarHBondContact O-N 3.29Å; I467-A471 WeakPolarHBondContact O-CB 3.13Å; I467-A471 PolarHBondContact O-N 3.13Å
468G80.9Confident81.2Confident8 Ų845.9 Ų45.98%0.08226%0.257CS..Hα-helixtrans-58.4-47.3176.700000112.5L458 G466 L470 A471 E472L458-G468 VanDerWaalsContact O-CA 3.3Å; L458-G468 WeakPolarHBondContact O-CA 3.18Å; G466-G468 VanDerWaalsContact C-N 3.28Å; G466-G468 PolarHBondContact O-N 2.65Å; G468-L470 PolarHBondContact O-N 3.41Å; G468-A471 PolarHBondContact O-N 3.38Å; G468-E472 WeakPolarHBondContact O-CB 3.29Å; G468-E472 PolarHBondContact O-N 3.08Å
469T83.1Confident81.3Confident79 Ų7950 Ų5049%0.48527%0.273SS..Hα-helixtrans-64.9-38.5176.3-50.70000112.3G466 I467 E472 N473G466-T469 PolarHBondContact O-N 3.03Å; G466-T469 VanDerWaalsContact O-N 3.16Å; I467-T469 PolarHBondContact O-N 2.91Å; T469-E472 PolarHBondContact O-N 3.42Å; T469-N473 WeakPolarHBondContact O-CB 3.18Å; T469-N473 PolarHBondContact O-N 2.87Å; T469-N473 PolarHBondContact O-ND2 2.88Å
470L85.8Confident81.6Confident36 Ų3652.6 Ų52.619%0.18829%0.285CS..Hα-helixtrans-65.2-39.7175.5-68.4177.7000112.1P427 L430 R431 G466 I467 G468 L474P427-L470 HydrophobicContact CB-CD1 3.97Å; L430-L470 HydrophobicContact CB-CB 3.89Å; L430-L470 HydrophobicContact CD1-CB 3.74Å; L430-L470 HydrophobicContact CG-CB 4.47Å; R431-L470 HydrophobicContact CG-CD2 3.9Å; G466-L470 PolarHBondContact O-N 3.3Å; I467-L470 HydrophobicContact CD1-CD1 4.44Å; I467-L470 PolarHBondContact O-N 3.29Å; G468-L470 PolarHBondContact O-N 3.41Å; L470-L474 PolarHBondContact O-N 2.94Å; L470-L474 VanDerWaalsContact O-N 3.11Å
471A88.8Confident82.2Confident0 Ų051.2 Ų51.20%028%0.278CS..Hα-helixtrans-68.7-41.3176.500000112L430 L458 I467 G468 L474 L475L430-A471 HydrophobicContact CD1-CB 4.48Å; L458-A471 HydrophobicContact CB-CB 3.6Å; I467-A471 WeakPolarHBondContact O-CB 3.13Å; I467-A471 PolarHBondContact O-N 3.13Å; G468-A471 PolarHBondContact O-N 3.38Å; A471-L474 PolarHBondContact O-N 3.11Å; A471-L475 WeakPolarHBondContact O-CG 3.5Å; A471-L475 PolarHBondContact O-N 3.31Å
472E86.4Confident82.8Confident86 Ų8654.7 Ų54.740%0.40230%0.301SS..Hα-helixtrans-58.5-50.5172.6-174.7-179.8-167.800111E459 G468 T469 L474 L475 E476E459-E472 HydrophobicContact CG-CB 4.19Å; G468-E472 WeakPolarHBondContact O-CB 3.29Å; G468-E472 PolarHBondContact O-N 3.08Å; T469-E472 PolarHBondContact O-N 3.42Å; E472-L474 VanDerWaalsContact C-N 3.25Å; E472-L474 PolarHBondContact O-N 3.21Å; E472-L475 WeakPolarHBondContact O-CB 3.26Å; E472-L475 PolarHBondContact O-N 2.92Å; E472-E476 WeakPolarHBondContact O-CG 3.32Å; E472-E476 PolarHBondContact O-N 2.99Å
473N89.1Confident84Confident64 Ų6453 Ų5334%0.34228%0.282SS..Hα-helixtrans-59.4-34.8178.8-77.7-41.1000113.3T469 A477T469-N473 WeakPolarHBondContact O-CB 3.18Å; T469-N473 PolarHBondContact O-N 2.87Å; T469-N473 PolarHBondContact O-ND2 2.88Å; N473-A477 PolarHBondContact O-N 3.25Å
474L92.5Very high85Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-69.7-45.2172.7170.756.5000111.2L430 L433 R434 A437 I447 L455 L470 A471 E472 E476 A477 L478L430-L474 HydrophobicContact CD2-CD2 4.06Å; L433-L474 HydrophobicContact CB-CD1 4Å; L433-L474 HydrophobicContact CB-CD2 3.83Å; L433-L474 HydrophobicContact CD1-CD2 4.2Å; R434-L474 HydrophobicContact CB-CB 4.31Å; R434-L474 HydrophobicContact CB-CD1 4.27Å; A437-L474 HydrophobicContact CB-CD1 4.17Å; I447-L474 HydrophobicContact CD1-CD1 4.36Å; L455-L474 HydrophobicContact CD1-CD2 3.8Å; L455-L474 HydrophobicContact CD1-CG 4.13Å; L455-L474 HydrophobicContact CD2-CD2 3.7Å; L455-L474 HydrophobicContact CG-CD2 4.41Å; L470-L474 PolarHBondContact O-N 2.94Å; L470-L474 VanDerWaalsContact O-N 3.11Å; A471-L474 PolarHBondContact O-N 3.11Å; E472-L474 VanDerWaalsContact C-N 3.25Å; E472-L474 PolarHBondContact O-N 3.21Å; L474-E476 VanDerWaalsContact C-N 3.31Å; L474-E476 PolarHBondContact O-N 3.15Å; L474-A477 PolarHBondContact O-N 3.41Å; L474-L478 HydrophobicContact CD1-CD1 4.18Å; L474-L478 HydrophobicContact CD1-CG 4.21Å; L474-L478 HydrophobicContact CG-CD1 4.24Å; L474-L478 VanDerWaalsContact O-CG 3.3Å; L474-L478 WeakPolarHBondContact O-CG 3.23Å; L474-L478 PolarHBondContact O-N 3.17Å; L474-L478 VanDerWaalsContact O-N 3.12Å
475L89.8Confident86.6Confident0 Ų045.6 Ų45.60%024%0.24CC..Hα-helixtrans-59-42.9176.6-74.7168.7000111.4I452 L455 E459 A471 E472 L478 R479 I488I452-L475 HydrophobicContact CD1-CD2 4.17Å; L455-L475 HydrophobicContact CB-CD1 4.33Å; L455-L475 HydrophobicContact CB-CD2 3.83Å; L455-L475 HydrophobicContact CB-CG 4.07Å; L455-L475 HydrophobicContact CD1-CD2 4.31Å; E459-L475 HydrophobicContact CB-CD1 4.07Å; E459-L475 HydrophobicContact CG-CD1 4.39Å; E459-L475 VanDerWaalsContact OE2-CD1 3.24Å; E459-L475 WeakPolarHBondContact OE2-CD1 3.49Å; A471-L475 WeakPolarHBondContact O-CG 3.5Å; A471-L475 PolarHBondContact O-N 3.31Å; E472-L475 WeakPolarHBondContact O-CB 3.26Å; E472-L475 PolarHBondContact O-N 2.92Å; L475-L478 WeakPolarHBondContact O-CB 3.38Å; L475-L478 PolarHBondContact O-N 3.08Å; L475-L478 VanDerWaalsContact O-N 3.13Å; L475-R479 WeakPolarHBondContact O-CG 3.42Å; L475-R479 PolarHBondContact O-N 3.03Å; L475-I488 HydrophobicContact CD2-CD1 4.06Å; L475-I488 HydrophobicContact CD2-CG1 4Å; L475-I488 WeakPolarHBondContact O-CD1 2.97Å
476E90.3Very high87.9Confident71 Ų7145.2 Ų45.233%0.33224%0.237SC..Hα-helixtrans-63.1-41.7176.8-66.3-54.2127.500112.3E472 L474 L478 R479 R492E472-E476 WeakPolarHBondContact O-CG 3.32Å; E472-E476 PolarHBondContact O-N 2.99Å; L474-E476 VanDerWaalsContact C-N 3.31Å; L474-E476 PolarHBondContact O-N 3.15Å; E476-L478 PolarHBondContact O-N 2.83Å; E476-R479 WeakPolarHBondContact O-CB 3.19Å; E476-R479 PolarHBondContact O-N 3.04Å; E476-R479 VanDerWaalsContact O-N 3.08Å; E476-R479 IonicContact OE1-NH1 3.35Å; E476-R479 PolarHBondContact OE1-NH1 3.19Å; E476-R479 WeakPolarHBondContact OE2-CD 3.12Å; E476-R479 IonicContact OE2-CZ 2.69Å; E476-R479 IonicContact OE2-NE 3.85Å; E476-R479 IonicContact OE2-NH1 3.27Å; E476-R479 PolarHBondContact OE2-NH1 2.9Å; E476-R492 IonicContact OE1-CZ 3.8Å; E476-R492 IonicContact OE1-NH1 2.79Å; E476-R492 PolarHBondContact OE1-NH1 3.37Å; E476-R492 IonicContact OE1-NH2 3.81Å; E476-R492 PolarHBondContact OE1-NH2 2.98Å
477A89.4Confident88.4Confident8 Ų848.6 Ų48.67%0.06624%0.244CC..Hα-helixtrans-61-29.6173.900000113.2R434 A437 I438 Q444 N473 L474 R479R434-A477 HydrophobicContact CG-CB 4.29Å; A437-A477 HydrophobicContact CB-CB 4.45Å; I438-A477 HydrophobicContact CG1-CB 3.76Å; Q444-A477 PolarHBondContact NE2-O 3.46Å; N473-A477 PolarHBondContact O-N 3.25Å; L474-A477 PolarHBondContact O-N 3.41Å; A477-R479 VanDerWaalsContact C-N 3.34Å
478L91.4Very high88.5Confident0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-77-17.3177.4-66.6168.7000113.4A437 Q444 I447 I452 L455 L474 L475 E476 E480 H481 V484 I488A437-L478 HydrophobicContact CB-CD2 3.86Å; A437-L478 HydrophobicContact CB-CG 4.47Å; Q444-L478 HydrophobicContact CB-CD2 4.15Å; Q444-L478 HydrophobicContact CG-CD2 4.1Å; I447-L478 HydrophobicContact CB-CD1 4.35Å; I447-L478 HydrophobicContact CB-CD2 3.91Å; I447-L478 HydrophobicContact CD1-CD2 4Å; I447-L478 HydrophobicContact CG2-CD1 3.62Å; I447-L478 HydrophobicContact CG2-CD2 4.08Å; I452-L478 HydrophobicContact CD1-CD1 3.88Å; L455-L478 HydrophobicContact CD1-CD1 4.05Å; L474-L478 HydrophobicContact CD1-CD1 4.18Å; L474-L478 HydrophobicContact CD1-CG 4.21Å; L474-L478 HydrophobicContact CG-CD1 4.24Å; L474-L478 VanDerWaalsContact O-CG 3.3Å; L474-L478 WeakPolarHBondContact O-CG 3.23Å; L474-L478 PolarHBondContact O-N 3.17Å; L474-L478 VanDerWaalsContact O-N 3.12Å; L475-L478 WeakPolarHBondContact O-CB 3.38Å; L475-L478 PolarHBondContact O-N 3.08Å; L475-L478 VanDerWaalsContact O-N 3.13Å; E476-L478 PolarHBondContact O-N 2.83Å; L478-E480 PolarHBondContact O-N 3.26Å; L478-H481 PolarHBondContact O-N 3.22Å; L478-V484 HydrophobicContact CB-CG1 3.93Å; L478-I488 HydrophobicContact CB-CD1 3.91Å
479R88.9Confident88.4Confident87 Ų8750.7 Ų50.733%0.32825%0.253SS..THydrogen-bonded Turntrans-70.8-17.2-177.4-65178.279.1179.61.1113.7L475 E476 A477 H481 N485 I488 D489L475-R479 WeakPolarHBondContact O-CG 3.42Å; L475-R479 PolarHBondContact O-N 3.03Å; E476-R479 WeakPolarHBondContact O-CB 3.19Å; E476-R479 PolarHBondContact O-N 3.04Å; E476-R479 VanDerWaalsContact O-N 3.08Å; E476-R479 IonicContact OE1-NH1 3.35Å; E476-R479 PolarHBondContact OE1-NH1 3.19Å; E476-R479 WeakPolarHBondContact OE2-CD 3.12Å; E476-R479 IonicContact OE2-CZ 2.69Å; E476-R479 IonicContact OE2-NE 3.85Å; E476-R479 IonicContact OE2-NH1 3.27Å; E476-R479 PolarHBondContact OE2-NH1 2.9Å; A477-R479 VanDerWaalsContact C-N 3.34Å; R479-H481 PolarHBondContact O-N 2.98Å; R479-N485 HydrophobicContact CB-CB 4.35Å; R479-N485 WeakPolarHBondContact CG-OD1 3.08Å; R479-N485 PolarHBondContact NE-OD1 3.26Å; R479-N485 WeakPolarHBondContact O-CB 3.38Å; R479-I488 HydrophobicContact CG-CD1 3.94Å; R479-D489 IonicContact NH2-OD1 3.22Å
480E87.8Confident88.5Confident94 Ų9449 Ų4944%0.43925%0.247SC..THydrogen-bonded Turntrans-59.2-27.8173.3-62.4177.3171.400111.9Q439 Q444 L478 P482Q439-E480 WeakPolarHBondContact CA-OE2 3.26Å; Q439-E480 WeakPolarHBondContact CG-OE2 3.31Å; Q439-E480 PolarHBondContact N-OE2 2.98Å; Q444-E480 PolarHBondContact NE2-OE2 3.42Å; Q444-E480 VanDerWaalsContact NE2-OE2 3.11Å; L478-E480 PolarHBondContact O-N 3.26Å; E480-P482 WeakPolarHBondContact O-CD 3.49Å
481H90.8Very high88.4Confident36 Ų3648 Ų4817%0.16724%0.244CC..SBendtrans-86119173.4-166.9-73.2000111.5Q444 V445 L478 R479 D483 V484 N485Q444-H481 HydrophobicContact CB-CB 3.97Å; V445-H481 WeakPolarHBondContact CG2-NE2 3.41Å; L478-H481 PolarHBondContact O-N 3.22Å; R479-H481 PolarHBondContact O-N 2.98Å; H481-D483 IonicContact CE1-OD2 2.74Å; H481-D483 PolarHBondContact ND1-N 3.31Å; H481-D483 PolarHBondContact O-N 2.96Å; H481-V484 HydrophobicContact CB-CB 4.08Å; H481-V484 HydrophobicContact CB-CG2 3.91Å; H481-V484 PolarHBondContact O-N 3.22Å; H481-V484 VanDerWaalsContact O-N 3.12Å; H481-N485 WeakPolarHBondContact O-CB 3.36Å; H481-N485 PolarHBondContact O-N 3.35Å
482P87Confident88Confident85 Ų8549.6 Ų49.655%0.55225%0.25SC*.Hα-helixtrans-55.7-43-173.1-2834.8000114.9E480 K486E480-P482 WeakPolarHBondContact O-CD 3.49Å; P482-K486 WeakPolarHBondContact O-CG 3.39Å; P482-K486 PolarHBondContact O-N 3.41Å
483D89Confident87.5Confident91 Ų9152.8 Ų52.849%0.48726%0.258SS..Hα-helixtrans-75.1-30.2-178.5-64.6-36000113.5H481 K486 K487H481-D483 IonicContact CE1-OD2 2.74Å; H481-D483 PolarHBondContact ND1-N 3.31Å; H481-D483 PolarHBondContact O-N 2.96Å; D483-K486 IonicContact OD1-NZ 2.62Å; D483-K486 PolarHBondContact OD1-NZ 2.98Å; D483-K487 PolarHBondContact O-N 2.93Å
484V90.9Very high86.9Confident5 Ų556.8 Ų56.83%0.0328%0.275CS..Hα-helixtrans-74.3-40.2176.1-175.80000109.1I452 L478 H481 K486 K487 I488I452-V484 HydrophobicContact CD1-CG1 3.77Å; I452-V484 HydrophobicContact CG1-CG1 4.36Å; L478-V484 HydrophobicContact CB-CG1 3.93Å; H481-V484 HydrophobicContact CB-CB 4.08Å; H481-V484 HydrophobicContact CB-CG2 3.91Å; H481-V484 PolarHBondContact O-N 3.22Å; H481-V484 VanDerWaalsContact O-N 3.12Å; V484-K486 VanDerWaalsContact C-N 3.33Å; V484-K486 PolarHBondContact O-N 2.73Å; V484-K487 WeakPolarHBondContact O-CB 3.22Å; V484-K487 PolarHBondContact O-N 3.32Å; V484-I488 HydrophobicContact CG1-CD1 4.09Å; V484-I488 HydrophobicContact CG1-CG1 4.46Å; V484-I488 WeakPolarHBondContact O-CG1 3.35Å; V484-I488 PolarHBondContact O-N 2.79Å
485N90.3Very high85.9Confident42 Ų4258.4 Ų58.423%0.22529%0.285CS..Hα-helixtrans-54.9-46.4173.2-169.435.4000112R479 H481 K487 I488 D489R479-N485 HydrophobicContact CB-CB 4.35Å; R479-N485 WeakPolarHBondContact CG-OD1 3.08Å; R479-N485 PolarHBondContact NE-OD1 3.26Å; R479-N485 WeakPolarHBondContact O-CB 3.38Å; H481-N485 WeakPolarHBondContact O-CB 3.36Å; H481-N485 PolarHBondContact O-N 3.35Å; N485-K487 VanDerWaalsContact C-N 3.29Å; N485-K487 PolarHBondContact O-N 3.45Å; N485-I488 PolarHBondContact O-N 2.99Å; N485-I488 VanDerWaalsContact O-N 3.13Å; N485-D489 PolarHBondContact O-N 3.44Å
486K88.9Confident84.7Confident131 Ų13165.8 Ų65.857%0.5731%0.313SS*.Hα-helixtrans-57.4-39.9175.3-72172.1-171.1162.60112.9P482 D483 V484 A490P482-K486 WeakPolarHBondContact O-CG 3.39Å; P482-K486 PolarHBondContact O-N 3.41Å; D483-K486 IonicContact OD1-NZ 2.62Å; D483-K486 PolarHBondContact OD1-NZ 2.98Å; V484-K486 VanDerWaalsContact C-N 3.33Å; V484-K486 PolarHBondContact O-N 2.73Å; K486-A490 WeakPolarHBondContact O-CB 3.43Å; K486-A490 PolarHBondContact O-N 2.99Å
487K89.3Confident83.5Confident98 Ų9865.3 Ų65.343%0.42632%0.321SS..Hα-helixtrans-68.7-39.4177.2-68.8-177.7-177.3-174.50111.8G448 D483 V484 N485 A490 A491G448-K487 VanDerWaalsContact O-CD 3.31Å; G448-K487 WeakPolarHBondContact O-CD 3.39Å; G448-K487 PolarHBondContact O-NZ 2.78Å; D483-K487 PolarHBondContact O-N 2.93Å; V484-K487 WeakPolarHBondContact O-CB 3.22Å; V484-K487 PolarHBondContact O-N 3.32Å; N485-K487 VanDerWaalsContact C-N 3.29Å; N485-K487 PolarHBondContact O-N 3.45Å; K487-A490 PolarHBondContact O-N 2.91Å; K487-A491 PolarHBondContact O-N 3.1Å
488I88.3Confident82.4Confident2 Ų268.5 Ų68.51%0.0133%0.334CS..Hα-helixtrans-63-48.4175.5-65.2169.2000110.1I452 L475 L478 R479 V484 N485 A490 A491 R492I452-I488 HydrophobicContact CD1-CD1 4.22Å; I452-I488 HydrophobicContact CD1-CG1 3.86Å; I452-I488 HydrophobicContact CG1-CG1 4.46Å; I452-I488 HydrophobicContact CG2-CB 4.45Å; I452-I488 HydrophobicContact CG2-CG1 3.79Å; L475-I488 HydrophobicContact CD2-CD1 4.06Å; L475-I488 HydrophobicContact CD2-CG1 4Å; L475-I488 WeakPolarHBondContact O-CD1 2.97Å; L478-I488 HydrophobicContact CB-CD1 3.91Å; R479-I488 HydrophobicContact CG-CD1 3.94Å; V484-I488 HydrophobicContact CG1-CD1 4.09Å; V484-I488 HydrophobicContact CG1-CG1 4.46Å; V484-I488 WeakPolarHBondContact O-CG1 3.35Å; V484-I488 PolarHBondContact O-N 2.79Å; N485-I488 PolarHBondContact O-N 2.99Å; N485-I488 VanDerWaalsContact O-N 3.13Å; I488-A490 VanDerWaalsContact C-N 3.3Å; I488-A490 PolarHBondContact O-N 3.35Å; I488-A491 PolarHBondContact O-N 2.63Å; I488-R492 PolarHBondContact O-N 3.47Å
489D79.6Confident80.9Confident49 Ų4974.7 Ų74.726%0.26236%0.361SS..Hα-helixtrans-63.2-36.7178-75.3-25.3000112.1R479 N485 R493R479-D489 IonicContact NH2-OD1 3.22Å; N485-D489 PolarHBondContact O-N 3.44Å; D489-R493 VanDerWaalsContact O-CB 3.26Å; D489-R493 WeakPolarHBondContact O-CB 2.93Å; D489-R493 WeakPolarHBondContact O-CG 3.44Å; D489-R493 PolarHBondContact O-N 3.22Å; D489-R493 PolarHBondContact O-NE 3.31Å
490A84.9Confident79Confident43 Ų4376.3 Ų76.336%0.35537%0.37SS..Hα-helixtrans-62.5-48.5172.800000111.8K486 K487 I488 R493 E494K486-A490 WeakPolarHBondContact O-CB 3.43Å; K486-A490 PolarHBondContact O-N 2.99Å; K487-A490 PolarHBondContact O-N 2.91Å; I488-A490 VanDerWaalsContact C-N 3.3Å; I488-A490 PolarHBondContact O-N 3.35Å; A490-R493 PolarHBondContact O-N 3.16Å; A490-E494 PolarHBondContact O-N 3.03Å
491A82.9Confident78Confident15 Ų1579.4 Ų79.412%0.12438%0.378CS..Hα-helixtrans-61.5-45.4178.100000112.2I452 H456 K487 I488 R493 E494 T495I452-A491 HydrophobicContact CG2-CB 4.34Å; H456-A491 HydrophobicContact CB-CB 4.44Å; K487-A491 PolarHBondContact O-N 3.1Å; I488-A491 PolarHBondContact O-N 2.63Å; A491-R493 VanDerWaalsContact C-N 3.33Å; A491-R493 PolarHBondContact O-N 3.01Å; A491-E494 PolarHBondContact O-N 2.92Å; A491-T495 PolarHBondContact O-N 3.27Å; A491-T495 VanDerWaalsContact O-N 3.09Å; A491-T495 PolarHBondContact O-OG1 3.13Å
492R81.3Confident76.2Confident34 Ų3482.9 Ų82.913%0.12840%0.396CS..Hα-helixtrans-64.8-33.8175.8-74.9176.8170.6168.1-4.1112.3H456 E459 E476 I488 R496H456-R492 VanDerWaalsContact CE1-CG 3.45Å; H456-R492 WeakPolarHBondContact CE1-CG 3.28Å; E459-R492 IonicContact OE1-CZ 2.91Å; E459-R492 VanDerWaalsContact OE1-CZ 3.27Å; E459-R492 IonicContact OE1-NE 3.8Å; E459-R492 PolarHBondContact OE1-NE 3Å; E459-R492 VanDerWaalsContact OE1-NE 3.12Å; E459-R492 IonicContact OE1-NH2 3.39Å; E459-R492 PolarHBondContact OE1-NH2 3.32Å; E459-R492 IonicContact OE2-NE 3.81Å; E459-R492 PolarHBondContact OE2-NE 3.23Å; E459-R492 IonicContact OE2-NH2 3.18Å; E476-R492 IonicContact OE1-CZ 3.8Å; E476-R492 IonicContact OE1-NH1 2.79Å; E476-R492 PolarHBondContact OE1-NH1 3.37Å; E476-R492 IonicContact OE1-NH2 3.81Å; E476-R492 PolarHBondContact OE1-NH2 2.98Å; I488-R492 PolarHBondContact O-N 3.47Å; R492-R496 VanDerWaalsContact O-CG 3.32Å; R492-R496 WeakPolarHBondContact O-CG 3.06Å; R492-R496 PolarHBondContact O-N 2.87Å; R492-R496 PolarHBondContact O-NE 2.83Å
493R74.4Confident74.1Confident154 Ų15480.9 Ų80.958%0.58139%0.387SS*.Hα-helixtrans-70-43.2174.3-80.3-176.2-64.21741.2112.1D489 A490 A491 R496 A497D489-R493 VanDerWaalsContact O-CB 3.26Å; D489-R493 WeakPolarHBondContact O-CB 2.93Å; D489-R493 WeakPolarHBondContact O-CG 3.44Å; D489-R493 PolarHBondContact O-N 3.22Å; D489-R493 PolarHBondContact O-NE 3.31Å; A490-R493 PolarHBondContact O-N 3.16Å; A491-R493 VanDerWaalsContact C-N 3.33Å; A491-R493 PolarHBondContact O-N 3.01Å; R493-R496 PolarHBondContact O-N 2.68Å; R493-A497 PolarHBondContact O-N 2.88Å
494E76.4Confident72.2Confident148 Ų14882 Ų8269%0.69239%0.39SS*.Hα-helixtrans-61-46.1178.2-172.6178.2-17000111.5A490 A491 R496 A497 E498A490-E494 PolarHBondContact O-N 3.03Å; A491-E494 PolarHBondContact O-N 2.92Å; E494-R496 VanDerWaalsContact C-N 3.32Å; E494-R496 PolarHBondContact O-N 3.38Å; E494-A497 PolarHBondContact O-N 2.91Å; E494-E498 PolarHBondContact O-N 3.44Å
495T72Confident70.7Confident33 Ų3384.3 Ų84.320%0.20241%0.41CS..Hα-helixtrans-58.9-41.9174.5-62.20000112.2H456 Q460 A491 E498 K499H456-T495 PolarHBondContact CD2-OG1 3.37Å; H456-T495 VanDerWaalsContact CD2-OG1 3.31Å; H456-T495 WeakPolarHBondContact NE2-CB 3.43Å; H456-T495 PolarHBondContact NE2-OG1 2.71Å; Q460-T495 VanDerWaalsContact OE1-CG2 3.28Å; A491-T495 PolarHBondContact O-N 3.27Å; A491-T495 VanDerWaalsContact O-N 3.09Å; A491-T495 PolarHBondContact O-OG1 3.13Å; T495-E498 PolarHBondContact O-N 3.44Å; T495-K499 HydrophobicContact CG2-CD 4.35Å; T495-K499 WeakPolarHBondContact O-CB 3.33Å; T495-K499 WeakPolarHBondContact O-CG 3.45Å; T495-K499 PolarHBondContact O-N 3.35Å
496R65Low68.8Low156 Ų15688.5 Ų88.559%0.58943%0.43SS*.Hα-helixtrans-63.3-44.4176.2-78.2-179.4-79-177.5-4.1111.9R492 R493 E494 E498 K500R492-R496 VanDerWaalsContact O-CG 3.32Å; R492-R496 WeakPolarHBondContact O-CG 3.06Å; R492-R496 PolarHBondContact O-N 2.87Å; R492-R496 PolarHBondContact O-NE 2.83Å; R493-R496 PolarHBondContact O-N 2.68Å; E494-R496 VanDerWaalsContact C-N 3.32Å; E494-R496 PolarHBondContact O-N 3.38Å; R496-E498 PolarHBondContact O-N 3.21Å; R496-K500 WeakPolarHBondContact O-CB 3.29Å; R496-K500 PolarHBondContact O-N 2.89Å
497A65.7Low66.3Low61 Ų6190.7 Ų90.750%0.50443%0.434SS..Hα-helixtrans-63.1-40.5177.300000112.2R493 E494 K500 R501R493-A497 PolarHBondContact O-N 2.88Å; E494-A497 PolarHBondContact O-N 2.91Å; A497-K500 WeakPolarHBondContact O-CB 3.4Å; A497-K500 PolarHBondContact O-N 3.13Å; A497-R501 PolarHBondContact O-N 3.02Å
498E66.8Low64.3Low75 Ų7593.1 Ų93.135%0.3545%0.447SS..Hα-helixtrans-70.5-42.3179-176.960.4-173.100112.5E494 T495 R496 K500 R501 M502E494-E498 PolarHBondContact O-N 3.44Å; T495-E498 PolarHBondContact O-N 3.44Å; R496-E498 PolarHBondContact O-N 3.21Å; E498-K500 VanDerWaalsContact C-N 3.31Å; E498-K500 PolarHBondContact O-N 3.45Å; E498-R501 PolarHBondContact O-N 3.4Å; E498-R501 IonicContact OE1-CZ 3.47Å; E498-R501 IonicContact OE1-NE 2.7Å; E498-R501 IonicContact OE1-NH2 3.57Å; E498-R501 PolarHBondContact OE1-NH2 2.77Å; E498-R501 IonicContact OE2-CZ 3.85Å; E498-R501 IonicContact OE2-NE 2.94Å; E498-R501 PolarHBondContact OE2-NE 2.64Å; E498-R501 IonicContact OE2-NH2 3.13Å; E498-R501 PolarHBondContact OE2-NH2 3.02Å; E498-M502 WeakPolarHBondContact O-CB 3.41Å; E498-M502 PolarHBondContact O-N 3Å
499K58.4Low62.6Low129 Ų129100.7 Ų100.756%0.56148%0.48SS*.Hα-helixtrans-59.9-41.5172.6-74.9-175.7-179.4-178.70111.3T495 M502 A503T495-K499 HydrophobicContact CG2-CD 4.35Å; T495-K499 WeakPolarHBondContact O-CB 3.33Å; T495-K499 WeakPolarHBondContact O-CG 3.45Å; T495-K499 PolarHBondContact O-N 3.35Å; K499-M502 PolarHBondContact O-N 2.96Å; K499-A503 WeakPolarHBondContact O-CB 3.5Å; K499-A503 PolarHBondContact O-N 2.98Å
500K48.6Very low60.8Low121 Ų121100.7 Ų100.753%0.52649%0.487SS..Hα-helixtrans-59.4-46.5173.8-176.7175.6-178.3171.30111.9R496 A497 E498 A503 M504R496-K500 WeakPolarHBondContact O-CB 3.29Å; R496-K500 PolarHBondContact O-N 2.89Å; A497-K500 WeakPolarHBondContact O-CB 3.4Å; A497-K500 PolarHBondContact O-N 3.13Å; E498-K500 VanDerWaalsContact C-N 3.31Å; E498-K500 PolarHBondContact O-N 3.45Å; K500-A503 PolarHBondContact O-N 3.2Å; K500-M504 HydrophobicContact CD-CE 4.49Å; K500-M504 HydrophobicContact CG-CE 4.11Å; K500-M504 HydrophobicContact CG-SD 4.49Å; K500-M504 WeakPolarHBondContact O-CG 3.48Å; K500-M504 PolarHBondContact O-N 3.2Å
501R67.4Low58.8Low159 Ų159104.2 Ų104.260%0.650%0.499SS*.Hα-helixtrans-61.9-44.6177.2-171.8178.972.1143.64.9112.2A497 E498 M504 A505A497-R501 PolarHBondContact O-N 3.02Å; E498-R501 PolarHBondContact O-N 3.4Å; E498-R501 IonicContact OE1-CZ 3.47Å; E498-R501 IonicContact OE1-NE 2.7Å; E498-R501 IonicContact OE1-NH2 3.57Å; E498-R501 PolarHBondContact OE1-NH2 2.77Å; E498-R501 IonicContact OE2-CZ 3.85Å; E498-R501 IonicContact OE2-NE 2.94Å; E498-R501 PolarHBondContact OE2-NE 2.64Å; E498-R501 IonicContact OE2-NH2 3.13Å; E498-R501 PolarHBondContact OE2-NH2 3.02Å; R501-M504 PolarHBondContact O-N 2.86Å; R501-A505 PolarHBondContact O-N 3.23Å
502M54Low57Low110 Ų110106.5 Ų106.554%0.54252%0.524SS..Hα-helixtrans-67.6-41-179.9-164.8175.9-69.800111.8E498 K499 M504 A505 M506E498-M502 WeakPolarHBondContact O-CB 3.41Å; E498-M502 PolarHBondContact O-N 3Å; K499-M502 PolarHBondContact O-N 2.96Å; M502-M504 PolarHBondContact O-N 3.49Å; M502-A505 PolarHBondContact O-N 3.48Å; M502-M506 WeakPolarHBondContact O-CG 3.42Å; M502-M506 PolarHBondContact O-N 3.09Å
503A41.8Very low55.1Low43 Ų43110.4 Ų110.436%0.35555%0.552SS.*Hα-helixtrans-62-40.4173.700000112.3K499 K500 M506 R507K499-A503 WeakPolarHBondContact O-CB 3.5Å; K499-A503 PolarHBondContact O-N 2.98Å; K500-A503 PolarHBondContact O-N 3.2Å; A503-M506 PolarHBondContact O-N 3.11Å; A503-R507 VanDerWaalsContact O-CB 3.29Å; A503-R507 WeakPolarHBondContact O-CB 3.45Å; A503-R507 PolarHBondContact O-N 3.23Å
504M49.7Very low53.4Low113 Ų113109.1 Ų109.156%0.55756%0.556SS**Hα-helixtrans-64.5-41.6173.9-74.6179.6173.600112.3K500 R501 M502 R507 Q508K500-M504 HydrophobicContact CD-CE 4.49Å; K500-M504 HydrophobicContact CG-CE 4.11Å; K500-M504 HydrophobicContact CG-SD 4.49Å; K500-M504 WeakPolarHBondContact O-CG 3.48Å; K500-M504 PolarHBondContact O-N 3.2Å; R501-M504 PolarHBondContact O-N 2.86Å; M502-M504 PolarHBondContact O-N 3.49Å; M504-R507 PolarHBondContact O-N 3.28Å; M504-Q508 WeakPolarHBondContact O-CB 3.41Å; M504-Q508 PolarHBondContact O-N 2.98Å
505A59.9Low51.6Low54 Ų54105.3 Ų105.345%0.44656%0.557SS.*Hα-helixtrans-66.6-40.7176.500000112.4R501 M502 Q508 K509R501-A505 PolarHBondContact O-N 3.23Å; M502-A505 PolarHBondContact O-N 3.48Å; A505-Q508 PolarHBondContact O-N 3.27Å; A505-K509 WeakPolarHBondContact O-CB 3.43Å; A505-K509 PolarHBondContact O-N 3.32Å
506M48.7Very low50Low130 Ų130109.4 Ų109.464%0.6458%0.575SS**Hα-helixtrans-65.8-37.8174-72.4-177.97500111.7M502 A503 K509 A510M502-M506 WeakPolarHBondContact O-CG 3.42Å; M502-M506 PolarHBondContact O-N 3.09Å; A503-M506 PolarHBondContact O-N 3.11Å; M506-K509 PolarHBondContact O-N 2.9Å; M506-A510 WeakPolarHBondContact O-CB 3.4Å; M506-A510 PolarHBondContact O-N 2.97Å
507R37.7Very low49Very low177 Ų177108.3 Ų108.367%0.66859%0.586SS**Hα-helixtrans-62.1-45.8173.2-177.1175.9179.1173.7-1.1111.5A503 M504 K509 A510 L511A503-R507 VanDerWaalsContact O-CB 3.29Å; A503-R507 WeakPolarHBondContact O-CB 3.45Å; A503-R507 PolarHBondContact O-N 3.23Å; M504-R507 PolarHBondContact O-N 3.28Å; R507-K509 VanDerWaalsContact C-N 3.34Å; R507-K509 PolarHBondContact O-N 3.23Å; R507-A510 PolarHBondContact O-N 3.4Å; R507-L511 HydrophobicContact CG-CD1 3.92Å; R507-L511 VanDerWaalsContact O-CB 3.3Å; R507-L511 WeakPolarHBondContact O-CB 3.45Å; R507-L511 WeakPolarHBondContact O-CD1 3.43Å; R507-L511 WeakPolarHBondContact O-CG 3.27Å; R507-L511 PolarHBondContact O-N 3.35Å
508Q47.6Very low47.6Very low150 Ų150110.6 Ų110.670%0.70159%0.593SS**Hα-helixtrans-65.6-37.3178.2-161.2175.110.400112.1M504 A505 G512M504-Q508 WeakPolarHBondContact O-CB 3.41Å; M504-Q508 PolarHBondContact O-N 2.98Å; A505-Q508 PolarHBondContact O-N 3.27Å; Q508-G512 PolarHBondContact O-N 2.94Å; Q508-G512 VanDerWaalsContact O-N 3.12Å
509K52.5Low46.6Very low160 Ų160111.7 Ų111.770%0.69660%0.602SS**Hα-helixtrans-73.4-39.9177-162174.7-177.9-178.20112.5A505 M506 R507 G512 T513A505-K509 WeakPolarHBondContact O-CB 3.43Å; A505-K509 PolarHBondContact O-N 3.32Å; M506-K509 PolarHBondContact O-N 2.9Å; R507-K509 VanDerWaalsContact C-N 3.34Å; R507-K509 PolarHBondContact O-N 3.23Å; K509-G512 PolarHBondContact O-N 3.28Å; K509-T513 WeakPolarHBondContact O-CB 3.47Å; K509-T513 PolarHBondContact O-N 2.96Å; K509-T513 PolarHBondContact O-OG1 3.08Å
510A41Very low46.1Very low49 Ų49115.3 Ų115.341%0.40562%0.621SS.*Hα-helixtrans-64.9-41.1173.900000111.6M506 R507 G512 T513 L514M506-A510 WeakPolarHBondContact O-CB 3.4Å; M506-A510 PolarHBondContact O-N 2.97Å; R507-A510 PolarHBondContact O-N 3.4Å; A510-G512 VanDerWaalsContact C-N 3.33Å; A510-G512 PolarHBondContact O-N 3.08Å; A510-T513 PolarHBondContact O-N 3.34Å; A510-L514 WeakPolarHBondContact O-CB 3.06Å; A510-L514 WeakPolarHBondContact O-CD1 3.26Å; A510-L514 PolarHBondContact O-N 3.38Å; A510-L514 VanDerWaalsContact O-N 3.14Å
511L43.2Very low45.8Very low118 Ų118118.5 Ų118.562%0.61864%0.635SS**Hα-helixtrans-62.3-36.9174.3-74.4165.3000112.6R507R507-L511 HydrophobicContact CG-CD1 3.92Å; R507-L511 VanDerWaalsContact O-CB 3.3Å; R507-L511 WeakPolarHBondContact O-CB 3.45Å; R507-L511 WeakPolarHBondContact O-CD1 3.43Å; R507-L511 WeakPolarHBondContact O-CG 3.27Å; R507-L511 PolarHBondContact O-N 3.35Å
512G46Very low44.4Very low63 Ų63113.6 Ų113.665%0.64963%0.633SS**Hα-helixtrans-74.8-28.2175.100000114.6Q508 K509 A510Q508-G512 PolarHBondContact O-N 2.94Å; Q508-G512 VanDerWaalsContact O-N 3.12Å; K509-G512 PolarHBondContact O-N 3.28Å; A510-G512 VanDerWaalsContact C-N 3.33Å; A510-G512 PolarHBondContact O-N 3.08Å
513T41.1Very low43.2Very low116 Ų116115.8 Ų115.871%0.71264%0.643SS**Hα-helixtrans-87.4-17.4-176.4-44.80000112.5K509 A510K509-T513 WeakPolarHBondContact O-CB 3.47Å; K509-T513 PolarHBondContact O-N 2.96Å; K509-T513 PolarHBondContact O-OG1 3.08Å; A510-T513 PolarHBondContact O-N 3.34Å
514L37Very low42.8Very low126 Ų126117.6 Ų117.666%0.6665%0.649SS**THydrogen-bonded Turntrans-87.85.8179.2-81.4160.7000115A510 M516A510-L514 WeakPolarHBondContact O-CB 3.06Å; A510-L514 WeakPolarHBondContact O-CD1 3.26Å; A510-L514 PolarHBondContact O-N 3.38Å; A510-L514 VanDerWaalsContact O-N 3.14Å; L514-M516 VanDerWaalsContact C-N 3.33Å; L514-M516 PolarHBondContact O-N 3.3Å
515G39.9Very low42.1Very low69 Ų69119 Ų11971%0.71166%0.664SS**THydrogen-bonded Turntrans62.228.1163.900000116.7
516M38.7Very low40.5Very low119 Ų119121.5 Ų121.559%0.58667%0.674SS**  trans-97.6111.2177.2-65.1-168.1177.900111L514 V524 T526L514-M516 VanDerWaalsContact C-N 3.33Å; L514-M516 PolarHBondContact O-N 3.3Å; M516-V524 HydrophobicContact CE-CG1 4.45Å; M516-V524 HydrophobicContact SD-CG1 3.84Å; M516-T526 HydrophobicContact CE-CG2 4.25Å
517T43.4Very low39.6Very low133 Ų133125.5 Ų125.582%0.81669%0.687SS**PPolyproline II helixtrans-97.7128.6165.849.60000110.1
518T37.3Very low39.4Very low108 Ų108123.6 Ų123.666%0.66370%0.696SS**PPolyproline II helixtrans-73.1136.7167.844.30000109.7
519N45.8Very low38.6Very low99 Ų99120.3 Ų120.353%0.52969%0.694SS.*PPolyproline II helixtrans-82168.1157.97411.4000109.5K521 G522N519-K521 PolarHBondContact O-N 3.2Å; N519-K521 PolarHBondContact OD1-N 3.28Å; N519-G522 PolarHBondContact O-N 3.33Å; N519-G522 PolarHBondContact OD1-N 2.58Å
520E47Very low37.5Very low205 Ų205120.6 Ų120.696%0.95870%0.702SS**THydrogen-bonded Turntrans-61.74.1-175-63-178.6159.700115.3
521K41.6Very low36.9Very low187 Ų187127 Ų12781%0.81373%0.728SS**THydrogen-bonded Turntrans-126.414.5173.9-65.7-171.2178.1-177.30114.4N519 Q523N519-K521 PolarHBondContact O-N 3.2Å; N519-K521 PolarHBondContact OD1-N 3.28Å; K521-Q523 PolarHBondContact O-N 2.71Å
522G38.6Very low36.4Very low56 Ų56131.3 Ų131.358%0.57774%0.742SS**  trans70.921.7162.300000116.9N519N519-G522 PolarHBondContact O-N 3.33Å; N519-G522 PolarHBondContact OD1-N 2.58Å
523Q28.6Very low35.6Very low157 Ų157137.1 Ų137.173%0.73475%0.753SS**  trans-102.1130.9175.4-71.2-178-19.800111.7K521K521-Q523 PolarHBondContact O-N 2.71Å
524V34.4Very low35.1Very low81 Ų81140.6 Ų140.649%0.49176%0.763SS.*  trans-110.5129.7-179.8179.10000109.2M516M516-V524 HydrophobicContact CE-CG1 4.45Å; M516-V524 HydrophobicContact SD-CG1 3.84Å
525V33.8Very low34.8Very low143 Ų143143.8 Ų143.887%0.86777%0.774SS**  trans-116.6132.9171.3-176.20000108.9
526T27.8Very low34.5Very low106 Ų106149.3 Ų149.365%0.6578%0.782SS**  trans-96.1144.2-175.634.40000113M516M516-T526 HydrophobicContact CE-CG2 4.25Å
527K28.1Very low34.4Very low214 Ų214151.5 Ų151.593%0.9380%0.795SS**  trans-134.4140.9151.9-80.8-168.2177.3-179.30110.3
528T33.4Very low34.4Very low137 Ų137150.9 Ų150.984%0.8479%0.786SS**  trans-93.1161.8-156.8-25.80000114.4
529A31.6Very low35Very low80 Ų80154.3 Ų154.366%0.66179%0.794SS**  trans72.2123.5134.900000120.3
530L28.6Very low35.6Very low166 Ų166150.7 Ų150.787%0.86977%0.774SS**  trans172.172.9135.8-96.4151.3000111.9
531L28.8Very low36.4Very low183 Ų183145.2 Ų145.296%0.95876%0.756SS**  trans-166.455.1166.5-106149.7000112.5
532K32.7Very low38.1Very low209 Ų209137.4 Ų137.491%0.90973%0.729SS**  trans-139.867.3172.5-108.5-166.1178-169.30109.9
533Q30.3Very low40.5Very low186 Ų186135 Ų13587%0.86970%0.703SS**  trans-144.218.6179.7-105.2-174.7-8.500115.8
534M29.9Very low43.3Very low189 Ų189129.8 Ų129.893%0.93168%0.681SS**SBendtrans-139.431.5175-76.5-171.372.800115.1
535E30.8Very low45.8Very low192 Ų192125.9 Ų125.990%0.89766%0.658SS**  trans-131.565.5167.9-79.2175.4164.800109.4
536E33.3Very low48.2Very low186 Ų186120.1 Ų120.187%0.86962%0.623SS**  trans-112.272.2167.9-76.3-175.3170.100109.5
537L36.8Very low50.6Low164 Ų164118.1 Ų118.186%0.85961%0.608SS**SBendtrans-102.3117.8134.1-87.6155000103.5E539L537-E539 PolarHBondContact O-N 2.97Å
538I42.5Very low53.1Low121 Ų121110.1 Ų110.162%0.62158%0.579SS**  trans-62.589.8-161.3-56.5166.3000110.5F554I538-F554 HydrophobicContact CG2-CZ 4.09Å
539E50.6Low55.3Low180 Ų180112.2 Ų112.284%0.84157%0.571SS**  trans-70126.8159.1-78-175.617000107.6L537 P541L537-E539 PolarHBondContact O-N 2.97Å; E539-P541 WeakPolarHBondContact O-CD 3.38Å
540E58.6Low57.8Low22 Ų22111.5 Ų111.510%0.10355%0.554CS.*  trans-80.5115.8172.3-172.7173.6-171.900108.6T544 E550 G551 Y552 K553 F554E540-T544 HydrophobicContact CB-CG2 4.08Å; E540-T544 HydrophobicContact CG-CG2 4.32Å; E540-E550 VanDerWaalsContact OE2-CA 3.27Å; E540-E550 WeakPolarHBondContact OE2-CA 3.33Å; E540-G551 WeakPolarHBondContact OE1-CA 3.25Å; E540-G551 PolarHBondContact OE1-N 3.06Å; E540-G551 VanDerWaalsContact OE1-O 3.13Å; E540-G551 PolarHBondContact OE2-N 2.93Å; E540-Y552 PolarHBondContact OE1-N 3.37Å; E540-K553 HydrophobicContact CG-CB 3.74Å; E540-K553 HydrophobicContact CG-CD 4.2Å; E540-K553 WeakPolarHBondContact OE1-CA 3.36Å; E540-K553 WeakPolarHBondContact OE1-CB 3.29Å; E540-K553 PolarHBondContact OE1-N 3.45Å; E540-F554 HydrophobicContact CB-CE2 4.28Å; E540-F554 HydrophobicContact CG-CD2 4.36Å; E540-F554 HydrophobicContact CG-CE2 4.38Å; E540-F554 PolarHBondContact OE1-N 3.39Å; E540-F554 VanDerWaalsContact OE2-CD2 3.24Å; E540-F554 WeakPolarHBondContact OE2-CD2 3.36Å
541P62.7Low60.5Low91 Ų91103.6 Ų103.659%0.59151%0.513SS*.  trans-72.3135.1178.629.5-32.7000110E539E539-P541 WeakPolarHBondContact O-CD 3.38Å
542G77.9Confident63.2Low23 Ų2396.1 Ų96.124%0.23747%0.472CS..SBendtrans107.4-157.1176.500000114.1D838G542-D838 WeakPolarHBondContact CA-OD2 3.43Å
543L88.7Confident65.6Low6 Ų692.2 Ų92.23%0.03146%0.455CS..  trans-73.4127.1-177.6-54.8179.1000111.1G551 L560 F590 I592 V629 Y699 D838L543-G551 VanDerWaalsContact O-CA 3.28Å; L543-G551 WeakPolarHBondContact O-CA 3.22Å; L543-L560 HydrophobicContact CB-CD1 3.79Å; L543-F590 HydrophobicContact CD2-CE1 4.26Å; L543-F590 HydrophobicContact CD2-CZ 4.19Å; L543-I592 HydrophobicContact CB-CD1 3.55Å; L543-I592 HydrophobicContact CB-CG2 4.42Å; L543-I592 HydrophobicContact CD1-CD1 4.1Å; L543-I592 HydrophobicContact CD2-CD1 3.22Å; L543-I592 HydrophobicContact CG-CD1 3.74Å; L543-V629 HydrophobicContact CD1-CG1 3.86Å; L543-V629 HydrophobicContact CD1-CG2 4.37Å; L543-Y699 HydrophobicContact CD1-CE1 3.97Å; L543-Y699 WeakPolarHBondContact CD1-OH 3.29Å; L543-D838 HydrophobicContact CD1-CB 4.16Å; L543-D838 HydrophobicContact CG-CB 3.98Å; L543-D838 PolarHBondContact N-OD2 2.92Å
544T87.4Confident68Low46 Ų4688.2 Ų88.228%0.28244%0.435SS..BIsolated β-bridgetrans-125.5145.6179.957.50000111.8E540E540-T544 HydrophobicContact CB-CG2 4.08Å; E540-T544 HydrophobicContact CG-CG2 4.32Å
545C88.1Confident70.7Confident0 Ų081.3 Ų81.30%040%0.4CS..  trans-69.7130.2177.51750000111.4I547 C548 R549 E550 L560 I592 H594C545-I547 PolarHBondContact O-N 3.17Å; C545-I547 PolarHBondContact SG-N 3.28Å; C545-C548 VanDerWaalsContact CB-SG 3.57Å; C545-C548 VanDerWaalsContact SG-SG 3.64Å; C545-R549 WeakPolarHBondContact O-CA 3.37Å; C545-R549 PolarHBondContact O-N 2.92Å; C545-E550 WeakPolarHBondContact CB-O 3.42Å; C545-E550 PolarHBondContact N-O 3.36Å; C545-L560 HydrophobicContact CB-CD2 4.34Å; C545-I592 CarbonylContact C-O 3.58Å; C545-I592 WeakPolarHBondContact CA-O 3.48Å; C545-H594 WeakPolarHBondContact CB-ND1 3.38Å; C545-H594 PolarHBondContact SG-N 3.4Å
546C83.3Confident73.4Confident21 Ų2174.4 Ų74.414%0.14237%0.372CS..THydrogen-bonded Turntrans-65.4-21.5179.964.70000113.7R549 I592 Q617C546-R549 PolarHBondContact O-NE 3.03Å; C546-I592 PolarHBondContact N-O 3.5Å; C546-I592 PolarHBondContact SG-O 3.45Å; C546-Q617 PolarHBondContact SG-O 2.82Å
547I79Confident76.1Confident64 Ų6469.5 Ų69.533%0.32836%0.355SS..THydrogen-bonded Turntrans-87.8-58.9-179.7-61.5176.5000111.2C545 V593 C597 A601 Q617C545-I547 PolarHBondContact O-N 3.17Å; C545-I547 PolarHBondContact SG-N 3.28Å; I547-V593 HydrophobicContact CD1-CG2 3.65Å; I547-V593 HydrophobicContact CG1-CG2 4.05Å; I547-C597 HydrophobicContact CB-CB 4.17Å; I547-C597 HydrophobicContact CD1-CB 3.96Å; I547-C597 HydrophobicContact CG2-CB 4.35Å; I547-A601 HydrophobicContact CD1-CB 3.99Å; I547-Q617 HydrophobicContact CD1-CG 4.19Å; I547-Q617 HydrophobicContact CG1-CG 4.37Å
548C80.1Confident78.7Confident46 Ų4664.6 Ų64.631%0.31133%0.327SS..THydrogen-bonded Turntrans-95.1-7.9-174.167.60000114.2C545 E550 H594C545-C548 VanDerWaalsContact CB-SG 3.57Å; C545-C548 VanDerWaalsContact SG-SG 3.64Å; C548-E550 PolarHBondContact O-N 2.89Å; C548-H594 PolarHBondContact SG-ND1 2.98Å
549R80.1Confident81.3Confident181 Ų18159.3 Ų59.368%0.68330%0.3SS*.  trans6019.2-177.8-53.5-62.9-177.4166-0.6114.6C545 C546C545-R549 WeakPolarHBondContact O-CA 3.37Å; C545-R549 PolarHBondContact O-N 2.92Å; C546-R549 PolarHBondContact O-NE 3.03Å
550E83.1Confident83.4Confident65 Ų6550.8 Ų50.830%0.30426%0.26SS..  trans-108.2146.3174.4-62.7173173.200109.9E540 C545 C548 F554 Q555 H594E540-E550 VanDerWaalsContact OE2-CA 3.27Å; E540-E550 WeakPolarHBondContact OE2-CA 3.33Å; C545-E550 WeakPolarHBondContact CB-O 3.42Å; C545-E550 PolarHBondContact N-O 3.36Å; C548-E550 PolarHBondContact O-N 2.89Å; E550-F554 HydrophobicContact CB-CB 4.11Å; E550-F554 HydrophobicContact CG-CB 4.1Å; E550-F554 HydrophobicContact CG-CD2 4.45Å; E550-F554 HydrophobicContact CG-CG 4.49Å; E550-Q555 HydrophobicContact CB-CG 4.11Å; E550-Q555 VanDerWaalsContact OE2-CG 3.28Å; E550-Q555 WeakPolarHBondContact OE2-CG 3.29Å; E550-Q555 PolarHBondContact OE2-NE2 3.02Å; E550-H594 PolarHBondContact O-CE1 3.46Å
551G85.7Confident85.3Confident0 Ų049.7 Ų49.70%026%0.255CS..BIsolated β-bridgetrans-124.5-151.2174.400000111.4E540 L543 K553 F554 Q555E540-G551 WeakPolarHBondContact OE1-CA 3.25Å; E540-G551 PolarHBondContact OE1-N 3.06Å; E540-G551 VanDerWaalsContact OE1-O 3.13Å; E540-G551 PolarHBondContact OE2-N 2.93Å; L543-G551 VanDerWaalsContact O-CA 3.28Å; L543-G551 WeakPolarHBondContact O-CA 3.22Å; G551-K553 VanDerWaalsContact C-N 3.26Å; G551-K553 PolarHBondContact O-N 3.33Å; G551-F554 PolarHBondContact O-N 2.92Å; G551-Q555 WeakPolarHBondContact O-CA 3.34Å; G551-Q555 WeakPolarHBondContact O-CB 3.23Å; G551-Q555 PolarHBondContact O-N 3.3Å
552Y85.7Confident86.9Confident26 Ų2645.4 Ų45.410%0.10223%0.227CC..THydrogen-bonded Turntrans-70.4-13.6-174.4-67.3-55.1000115.3E540 P556 K558 L560 V629 G631 V634E540-Y552 PolarHBondContact OE1-N 3.37Å; Y552-P556 WeakPolarHBondContact O-CA 3.44Å; Y552-P556 VanDerWaalsContact O-CB 3.32Å; Y552-P556 WeakPolarHBondContact O-CB 3.44Å; Y552-K558 VanDerWaalsContact CE1-O 3.31Å; Y552-K558 WeakPolarHBondContact CE1-O 3.4Å; Y552-L560 HydrophobicContact CD2-CD1 4.08Å; Y552-L560 HydrophobicContact CE1-CD1 4.07Å; Y552-L560 HydrophobicContact CE1-CG 4.14Å; Y552-L560 HydrophobicContact CE2-CD1 3.62Å; Y552-L560 HydrophobicContact CE2-CG 4.45Å; Y552-L560 HydrophobicContact CG-CD1 4.5Å; Y552-V629 HydrophobicContact CE2-CG1 4.46Å; Y552-V629 WeakPolarHBondContact OH-CG1 3.38Å; Y552-V629 PolarHBondContact OH-O 3.31Å; Y552-G631 VanDerWaalsContact CZ-CA 3.44Å; Y552-G631 PolarHBondContact OH-N 3.43Å; Y552-V634 HydrophobicContact CD1-CG2 4.21Å; Y552-V634 HydrophobicContact CE1-CG2 3.5Å; Y552-V634 VanDerWaalsContact CE1-CG2 3.5Å
553K82.3Confident87.8Confident127 Ų12744.3 Ų44.355%0.55222%0.216SC*.THydrogen-bonded Turntrans-72.7-40.4175.9-172.4-176.1174.4-177.60110.8E540 G551E540-K553 HydrophobicContact CG-CB 3.74Å; E540-K553 HydrophobicContact CG-CD 4.2Å; E540-K553 WeakPolarHBondContact OE1-CA 3.36Å; E540-K553 WeakPolarHBondContact OE1-CB 3.29Å; E540-K553 PolarHBondContact OE1-N 3.45Å; G551-K553 VanDerWaalsContact C-N 3.26Å; G551-K553 PolarHBondContact O-N 3.33Å
554F81.4Confident88.2Confident103 Ų10344.1 Ų44.145%0.45222%0.215SC..THydrogen-bonded Turntrans-96.5-29179-64-77.3000113I538 E540 E550 G551 P556I538-F554 HydrophobicContact CG2-CZ 4.09Å; E540-F554 HydrophobicContact CB-CE2 4.28Å; E540-F554 HydrophobicContact CG-CD2 4.36Å; E540-F554 HydrophobicContact CG-CE2 4.38Å; E540-F554 PolarHBondContact OE1-N 3.39Å; E540-F554 VanDerWaalsContact OE2-CD2 3.24Å; E540-F554 WeakPolarHBondContact OE2-CD2 3.36Å; E550-F554 HydrophobicContact CB-CB 4.11Å; E550-F554 HydrophobicContact CG-CB 4.1Å; E550-F554 HydrophobicContact CG-CD2 4.45Å; E550-F554 HydrophobicContact CG-CG 4.49Å; G551-F554 PolarHBondContact O-N 2.92Å; F554-P556 VanDerWaalsContact C-CD 3.4Å; F554-P556 WeakPolarHBondContact O-CD 3.34Å
555Q86.5Confident88.7Confident44 Ų4443.7 Ų43.721%0.20621%0.209CC..  trans-123.861.8179.8-59.7-67-20.200111.6E550 G551 T557 K558E550-Q555 HydrophobicContact CB-CG 4.11Å; E550-Q555 VanDerWaalsContact OE2-CG 3.28Å; E550-Q555 WeakPolarHBondContact OE2-CG 3.29Å; E550-Q555 PolarHBondContact OE2-NE2 3.02Å; G551-Q555 WeakPolarHBondContact O-CA 3.34Å; G551-Q555 WeakPolarHBondContact O-CB 3.23Å; G551-Q555 PolarHBondContact O-N 3.3Å; Q555-T557 PolarHBondContact O-N 2.74Å; Q555-T557 VanDerWaalsContact O-N 3.11Å; Q555-K558 HydrophobicContact CB-CB 4.12Å; Q555-K558 HydrophobicContact CB-CD 4Å; Q555-K558 HydrophobicContact CB-CG 4.15Å; Q555-K558 HydrophobicContact CG-CD 4.12Å; Q555-K558 PolarHBondContact O-N 3.35Å
556P86.7Confident89.1Confident46 Ų4643.8 Ų43.830%0.29921%0.21SC..THydrogen-bonded Turntrans-61.6-27.2-169.623.6-34.7000114.7Y552 F554 H633 V634Y552-P556 WeakPolarHBondContact O-CA 3.44Å; Y552-P556 VanDerWaalsContact O-CB 3.32Å; Y552-P556 WeakPolarHBondContact O-CB 3.44Å; F554-P556 VanDerWaalsContact C-CD 3.4Å; F554-P556 WeakPolarHBondContact O-CD 3.34Å; P556-H633 HydrophobicContact CB-CB 3.93Å; P556-H633 CarbonylContact O-C 3.12Å; P556-H633 WeakPolarHBondContact O-CB 3.27Å; P556-V634 PolarHBondContact O-N 3.19Å
557T91.2Very high89.6Confident84 Ų8445.7 Ų45.752%0.51522%0.216SC..THydrogen-bonded Turntrans-97.6-10-175.5560000113.9Q555Q555-T557 PolarHBondContact O-N 2.74Å; Q555-T557 VanDerWaalsContact O-N 3.11Å
558K91.9Very high90.5Very high60 Ų6049 Ų4926%0.26122%0.224SC..SBendtrans-83138.7-176.7-70.6-169.3176.8160.60111.3Y552 Q555 L560 V634Y552-K558 VanDerWaalsContact CE1-O 3.31Å; Y552-K558 WeakPolarHBondContact CE1-O 3.4Å; Q555-K558 HydrophobicContact CB-CB 4.12Å; Q555-K558 HydrophobicContact CB-CD 4Å; Q555-K558 HydrophobicContact CB-CG 4.15Å; Q555-K558 HydrophobicContact CG-CD 4.12Å; Q555-K558 PolarHBondContact O-N 3.35Å; K558-L560 PolarHBondContact O-N 2.73Å; K558-V634 WeakPolarHBondContact O-CG2 3.26Å
559V95.4Very high91.2Very high11 Ų1148.4 Ų48.47%0.06722%0.219CC..PPolyproline II helixtrans-75.6123175.6-172.50000109Y595 P628 V634 A638 C642V559-Y595 HydrophobicContact CB-CD2 4.14Å; V559-Y595 HydrophobicContact CG1-CD2 3.81Å; V559-Y595 HydrophobicContact CG1-CE2 3.95Å; V559-Y595 PolarHBondContact O-N 3.47Å; V559-P628 HydrophobicContact CG1-CB 3.97Å; V559-V634 HydrophobicContact CG2-CG1 3.61Å; V559-A638 HydrophobicContact CG2-CB 3.83Å; V559-C642 HydrophobicContact CG1-CB 3.94Å
560L96.1Very high91.9Very high0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-83.3151.8165.9-69.6172.3000109.2L543 C545 Y552 K558 I592 V593 H594 P628 V629L543-L560 HydrophobicContact CB-CD1 3.79Å; C545-L560 HydrophobicContact CB-CD2 4.34Å; Y552-L560 HydrophobicContact CD2-CD1 4.08Å; Y552-L560 HydrophobicContact CE1-CD1 4.07Å; Y552-L560 HydrophobicContact CE1-CG 4.14Å; Y552-L560 HydrophobicContact CE2-CD1 3.62Å; Y552-L560 HydrophobicContact CE2-CG 4.45Å; Y552-L560 HydrophobicContact CG-CD1 4.5Å; K558-L560 PolarHBondContact O-N 2.73Å; L560-I592 HydrophobicContact CB-CG2 3.9Å; L560-I592 HydrophobicContact CD1-CG2 4.1Å; L560-I592 HydrophobicContact CD2-CG2 3.92Å; L560-I592 HydrophobicContact CG-CG2 4.2Å; L560-V593 CarbonylContact C-O 3.48Å; L560-V593 WeakPolarHBondContact CA-O 3.43Å; L560-H594 WeakPolarHBondContact CD2-CD2 3.44Å; L560-H594 WeakPolarHBondContact CD2-NE2 3.48Å; L560-P628 WeakPolarHBondContact O-CA 3.34Å; L560-V629 HydrophobicContact CB-CB 4.23Å; L560-V629 PolarHBondContact O-N 3.13Å
561G96.9Very high92.5Very high0 Ų038.1 Ų38.10%018%0.182CC..EExtended strand (participates in β ladder)trans-132.5141.8174.400000110.5I592 V593 L627G561-I592 CarbonylContact O-C 3.6Å; G561-I592 WeakPolarHBondContact O-CA 3.24Å; G561-V593 PolarHBondContact N-O 2.94Å; G561-V593 PolarHBondContact O-N 3Å; G561-L627 CarbonylContact C-O 3.53Å; G561-L627 VanDerWaalsContact CA-O 3.22Å; G561-L627 WeakPolarHBondContact CA-O 3.36Å
562I97.8Very high92.9Very high0 Ų038.6 Ų38.60%019%0.185CC..EExtended strand (participates in β ladder)trans-95.6125.1173.2-60.9159.2000107.2T564 S588 F590 I592 L626 L627 V629 L696 Y699I562-T564 PolarHBondContact O-N 2.99Å; I562-S588 WeakPolarHBondContact CG2-OG 3.29Å; I562-F590 HydrophobicContact CD1-CD2 4.47Å; I562-F590 HydrophobicContact CD1-CE2 3.77Å; I562-F590 HydrophobicContact CD1-CZ 4.46Å; I562-F590 HydrophobicContact CG1-CE2 4.23Å; I562-F590 HydrophobicContact CG2-CD2 4.01Å; I562-F590 HydrophobicContact CG2-CE2 4.38Å; I562-I592 HydrophobicContact CG1-CG1 4.38Å; I562-L626 WeakPolarHBondContact O-CA 3.36Å; I562-L627 HydrophobicContact CB-CB 4.44Å; I562-L627 HydrophobicContact CD1-CD2 4.43Å; I562-L627 PolarHBondContact N-O 3.29Å; I562-L627 PolarHBondContact O-N 3.37Å; I562-V629 HydrophobicContact CD1-CG2 3.64Å; I562-V629 HydrophobicContact CG1-CG2 3.79Å; I562-L696 HydrophobicContact CD1-CD1 4.45Å; I562-L696 HydrophobicContact CG2-CD1 3.97Å; I562-Y699 HydrophobicContact CD1-CD1 4.23Å; I562-Y699 HydrophobicContact CD1-CD2 3.51Å; I562-Y699 HydrophobicContact CD1-CE2 4.2Å; I562-Y699 HydrophobicContact CD1-CG 3.54Å
563Y96.9Very high93.1Very high1 Ų144 Ų440%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-64.2125.6174.1-79.1-61.8000110.3S588 N591 V593 H598 W611 A614 Q617 N618 C623 L626Y563-S588 WeakPolarHBondContact O-CB 3.21Å; Y563-S588 PolarHBondContact O-OG 2.87Å; Y563-N591 HydrophobicContact CD2-CB 4.2Å; Y563-N591 PolarHBondContact N-O 3.41Å; Y563-V593 HydrophobicContact CD2-CG1 4.23Å; Y563-V593 HydrophobicContact CE1-CG1 4.24Å; Y563-V593 HydrophobicContact CE2-CB 3.88Å; Y563-V593 HydrophobicContact CE2-CG1 3.59Å; Y563-H598 AromaticContact CE1-ND1 3.91Å; Y563-H598 AromaticContact CZ-ND1 3.9Å; Y563-H598 PolarHBondContact OH-ND1 3.43Å; Y563-W611 HydrophobicContact CE1-CZ3 4.48Å; Y563-A614 HydrophobicContact CE1-CB 3.82Å; Y563-Q617 HydrophobicContact CE2-CB 4.38Å; Y563-N618 HydrophobicContact CD2-CB 3.86Å; Y563-N618 HydrophobicContact CE2-CB 4.37Å; Y563-N618 HydrophobicContact CG-CB 4.07Å; Y563-C623 HydrophobicContact CD1-CB 4.15Å; Y563-C623 HydrophobicContact CG-CB 4.46Å; Y563-L626 HydrophobicContact CD1-CD1 3.91Å; Y563-L626 HydrophobicContact CE1-CD1 4.04Å; Y563-L626 HydrophobicContact CG-CD1 4.33Å
564T96.5Very high93.5Very high1 Ų140.4 Ų40.41%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-121.3153.2-179.856.40000111I562 T586 C623 N624 G625 L627 L696I562-T564 PolarHBondContact O-N 2.99Å; T564-T586 HydrophobicContact CG2-CG2 3.78Å; T564-C623 CarbonylContact O-C 3.54Å; T564-C623 VanDerWaalsContact O-CA 3.28Å; T564-C623 WeakPolarHBondContact O-CA 3.33Å; T564-C623 WeakPolarHBondContact O-CB 3.35Å; T564-N624 PolarHBondContact O-N 3.31Å; T564-G625 PolarHBondContact N-O 2.9Å; T564-G625 PolarHBondContact O-N 3.43Å; T564-G625 VanDerWaalsContact O-N 3.11Å; T564-G625 VanDerWaalsContact OG1-C 3.28Å; T564-G625 PolarHBondContact OG1-O 2.91Å; T564-L627 HydrophobicContact CG2-CB 3.75Å; T564-L696 HydrophobicContact CG2-CD1 4.12Å
565F97.2Very high94Very high38 Ų3836.2 Ų36.217%0.16718%0.178CC..EExtended strand (participates in β ladder)trans-121.2118.2165-175.8-90.1000108.6K567 T586 V587 K622 N624 D684 T685F565-K567 HydrophobicContact CE1-CB 4.3Å; F565-T586 WeakPolarHBondContact O-CA 3.3Å; F565-V587 HydrophobicContact CB-CG2 4.29Å; F565-V587 HydrophobicContact CD1-CG2 4.39Å; F565-V587 PolarHBondContact N-O 3.26Å; F565-V587 PolarHBondContact O-N 3.15Å; F565-K622 HydrophobicContact CD2-CB 4.05Å; F565-K622 HydrophobicContact CE2-CB 4.24Å; F565-N624 VanDerWaalsContact CA-OD1 3.26Å; F565-N624 WeakPolarHBondContact CA-OD1 3.23Å; F565-N624 HydrophobicContact CD2-CB 4.48Å; F565-D684 HydrophobicContact CD1-CB 4.27Å; F565-D684 HydrophobicContact CE1-CB 3.86Å; F565-T685 HydrophobicContact CB-CG2 3.34Å; F565-T685 HydrophobicContact CD1-CG2 3.67Å; F565-T685 HydrophobicContact CD2-CG2 4.33Å; F565-T685 HydrophobicContact CG-CG2 3.52Å
566T96.8Very high93.9Very high1 Ų138.8 Ų38.81%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-118.7138.8-177-55.50000109.8Y584 S585 T586 N624 L650 T654T566-Y584 HydrophobicContact CG2-CD2 4.05Å; T566-Y584 HydrophobicContact CG2-CG 4.04Å; T566-S585 WeakPolarHBondContact CA-O 3.34Å; T566-T586 WeakPolarHBondContact CG2-OG1 3.25Å; T566-T586 WeakPolarHBondContact OG1-CG2 3.21Å; T566-T586 PolarHBondContact OG1-OG1 3.27Å; T566-N624 PolarHBondContact N-OD1 2.57Å; T566-N624 PolarHBondContact O-ND2 2.8Å; T566-L650 HydrophobicContact CG2-CD2 3.6Å; T566-T654 HydrophobicContact CG2-CG2 3.81Å
567K95.4Very high93.9Very high62 Ų6242.1 Ų42.127%0.2720%0.203SC..EExtended strand (participates in β ladder)trans-133.4153.2175.969.3177.7-171.6179.60111.8F565 V569 Y584 S585 D684F565-K567 HydrophobicContact CE1-CB 4.3Å; K567-V569 HydrophobicContact CD-CG1 4.4Å; K567-V569 HydrophobicContact CG-CG1 3.99Å; K567-Y584 CarbonylContact O-C 3.44Å; K567-Y584 VanDerWaalsContact O-CA 3.23Å; K567-Y584 WeakPolarHBondContact O-CA 3.25Å; K567-S585 PolarHBondContact N-O 3.05Å; K567-S585 PolarHBondContact O-N 3.35Å; K567-D684 WeakPolarHBondContact CE-OD2 3.43Å; K567-D684 IonicContact NZ-OD1 3.32Å; K567-D684 PolarHBondContact NZ-OD1 3.34Å; K567-D684 IonicContact NZ-OD2 2.72Å; K567-D684 PolarHBondContact NZ-OD2 3.42Å
568R95.9Very high93.4Very high134 Ų13445.1 Ų45.151%0.50623%0.225SC..EExtended strand (participates in β ladder)trans-69.2131.7174.1-168.4-176.8-172.3170.75.1110.6G583 T654R568-G583 WeakPolarHBondContact CA-O 3.35Å; R568-T654 WeakPolarHBondContact CD-O 3.16Å
569V95.4Very high93.3Very high33 Ų3352.6 Ų52.620%0.225%0.251CS..EExtended strand (participates in β ladder)trans-146.9162.1177.8-62.60000111.5K567 Q582 G583 L670K567-V569 HydrophobicContact CD-CG1 4.4Å; K567-V569 HydrophobicContact CG-CG1 3.99Å; V569-Q582 PolarHBondContact O-OE1 2.99Å; V569-G583 PolarHBondContact N-O 3.32Å; V569-G583 VanDerWaalsContact N-O 3.15Å; V569-G583 CarbonylContact O-C 3.58Å; V569-G583 PolarHBondContact O-N 3.14Å; V569-L670 HydrophobicContact CG2-CD1 3.62Å
570A95.5Very high93.1Very high22 Ų2256.2 Ų56.218%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-68.1134.516800000110.4E572 K580 Q581A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.27Å; A570-K580 HydrophobicContact CB-CB 4.02Å; A570-K580 HydrophobicContact CB-CD 4Å; A570-Q581 WeakPolarHBondContact CA-O 3.45Å
571L95Very high93Very high7 Ų760.2 Ų60.24%0.03729%0.285CS..SBendtrans-69.2-31.5179.9-69.2177.7000112.6Q581 L663 H666 K669 V739L571-Q581 HydrophobicContact CD1-CB 4.29Å; L571-Q581 PolarHBondContact N-O 2.98Å; L571-L663 HydrophobicContact CD1-CD2 3.88Å; L571-L663 HydrophobicContact CD2-CD2 4.15Å; L571-H666 HydrophobicContact CD2-CB 3.57Å; L571-K669 WeakPolarHBondContact O-CE 3.46Å; L571-K669 PolarHBondContact O-NZ 3.26Å; L571-V739 HydrophobicContact CB-CG1 3.75Å; L571-V739 HydrophobicContact CD1-CG1 3.9Å; L571-V739 HydrophobicContact CG-CG1 4.49Å
572E94.3Very high92.9Very high11 Ų1163.7 Ų63.75%0.05130%0.301CS..  trans-144114.9175.9177.655.4-108.800109.1A570 M574 E575 V739 R776A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.27Å; E572-M574 PolarHBondContact O-N 2.91Å; E572-M574 PolarHBondContact OE1-N 3.04Å; E572-M574 VanDerWaalsContact OE1-N 3.1Å; E572-E575 HydrophobicContact CB-CB 4.27Å; E572-E575 HydrophobicContact CG-CB 4.27Å; E572-E575 PolarHBondContact O-N 3.28Å; E572-V739 HydrophobicContact CB-CG2 4.22Å; E572-R776 IonicContact OE1-CZ 2.88Å; E572-R776 IonicContact OE1-NH1 3.49Å; E572-R776 PolarHBondContact OE1-NH1 3.17Å; E572-R776 IonicContact OE1-NH2 3.58Å; E572-R776 PolarHBondContact OE1-NH2 3.45Å; E572-R776 IonicContact OE2-CZ 2.84Å; E572-R776 IonicContact OE2-NH1 3.12Å; E572-R776 IonicContact OE2-NH2 3.36Å; E572-R776 PolarHBondContact OE2-NH2 2.91Å
573E90.9Very high92.7Very high138 Ų13863.7 Ų63.765%0.64530%0.301SS*.THydrogen-bonded Turntrans-69-27.5-179-70.3-171.4166.400112.2E575 K580E573-E575 VanDerWaalsContact C-N 3.34Å; E573-K580 VanDerWaalsContact O-CE 3.22Å; E573-K580 WeakPolarHBondContact O-CE 3.44Å; E573-K580 PolarHBondContact O-NZ 2.74Å
574M90.8Very high92.7Very high53 Ų5363.7 Ų63.726%0.26130%0.301SS..THydrogen-bonded Turntrans-95.217.5-179.6-53.5-62.9-74.200112.1E572 N576 F737 R776 P780E572-M574 PolarHBondContact O-N 2.91Å; E572-M574 PolarHBondContact OE1-N 3.04Å; E572-M574 VanDerWaalsContact OE1-N 3.1Å; M574-N576 PolarHBondContact O-N 3.24Å; M574-F737 HydrophobicContact CB-CD1 4.18Å; M574-F737 WeakPolarHBondContact O-CB 3.48Å; M574-F737 VanDerWaalsContact O-CD1 3.3Å; M574-F737 WeakPolarHBondContact O-CD1 3.28Å; M574-R776 HydrophobicContact CB-CG 4.5Å; M574-R776 HydrophobicContact CE-CB 4.2Å; M574-R776 HydrophobicContact CE-CG 4.27Å; M574-R776 HydrophobicContact CG-CG 4.36Å; M574-P780 VanDerWaalsContact CE-CA 3.46Å; M574-P780 HydrophobicContact CE-CB 3.67Å; M574-P780 WeakPolarHBondContact CE-O 3.36Å
575E91.2Very high92.7Very high14 Ų1464.1 Ų64.17%0.06530%0.304CS..  trans-60.8130.3179.7-173.9179.8-167.100110.2E572 E573 K577 K580 Q581 F737 V739E572-E575 HydrophobicContact CB-CB 4.27Å; E572-E575 HydrophobicContact CG-CB 4.27Å; E572-E575 PolarHBondContact O-N 3.28Å; E573-E575 VanDerWaalsContact C-N 3.34Å; E575-K577 HydrophobicContact CG-CB 4.1Å; E575-K577 HydrophobicContact CG-CG 4.16Å; E575-K577 PolarHBondContact O-N 2.82Å; E575-K577 VanDerWaalsContact OE1-CD 3.29Å; E575-K577 WeakPolarHBondContact OE1-CD 3.26Å; E575-K577 IonicContact OE1-NZ 2.98Å; E575-K577 PolarHBondContact OE1-NZ 3.42Å; E575-K580 WeakPolarHBondContact OE2-CA 3.27Å; E575-Q581 PolarHBondContact OE1-NE2 2.92Å; E575-Q581 PolarHBondContact OE2-N 3.46Å; E575-F737 WeakPolarHBondContact CA-O 3.35Å; E575-V739 HydrophobicContact CB-CG2 4.38Å; E575-V739 HydrophobicContact CG-CG2 3.88Å; E575-V739 VanDerWaalsContact OE1-CG2 3.25Å; E575-V739 WeakPolarHBondContact OE1-CG2 3.35Å; E575-V739 WeakPolarHBondContact OE2-CG2 3.23Å
576N83.8Confident92.7Very high99 Ų9962.5 Ų62.553%0.52930%0.297SS..SBendtrans-79.944.9179.8-161.313000112.5M574 F737M574-N576 PolarHBondContact O-N 3.24Å; N576-F737 HydrophobicContact CB-CB 3.94Å; N576-F737 PolarHBondContact N-O 2.75Å
577K86.7Confident92.7Very high115 Ų11562.7 Ų62.750%0.530%0.298SS..SBendtrans-133.1142.7175.3-66.2-171.8-165.31550109.7E575 R579E575-K577 HydrophobicContact CG-CB 4.1Å; E575-K577 HydrophobicContact CG-CG 4.16Å; E575-K577 PolarHBondContact O-N 2.82Å; E575-K577 VanDerWaalsContact OE1-CD 3.29Å; E575-K577 WeakPolarHBondContact OE1-CD 3.26Å; E575-K577 IonicContact OE1-NZ 2.98Å; E575-K577 PolarHBondContact OE1-NZ 3.42Å; K577-R579 VanDerWaalsContact C-N 3.28Å; K577-R579 PolarHBondContact O-N 2.97Å
578P82.1Confident92.7Very high148 Ų14860 Ų6096%0.96129%0.287SS*.SBendtrans-64-33.2-178.924.5-33.5000112.8
579R88.8Confident92.4Very high217 Ų21756.1 Ų56.182%0.81928%0.275SS*.SBendtrans-107.4108.3173.9-172175.6-177.3171.12.4109.1K577K577-R579 VanDerWaalsContact C-N 3.28Å; K577-R579 PolarHBondContact O-N 2.97Å
580K91.9Very high92.3Very high87 Ų8755.5 Ų55.538%0.37827%0.269SS..PPolyproline II helixtrans-71.1136.6-179.7-57.5-175.9-171.7-178.70111A570 E573 E575 Q582A570-K580 HydrophobicContact CB-CB 4.02Å; A570-K580 HydrophobicContact CB-CD 4Å; E573-K580 VanDerWaalsContact O-CE 3.22Å; E573-K580 WeakPolarHBondContact O-CE 3.44Å; E573-K580 PolarHBondContact O-NZ 2.74Å; E575-K580 WeakPolarHBondContact OE2-CA 3.27Å; K580-Q582 PolarHBondContact O-N 3.33Å; K580-Q582 PolarHBondContact O-NE2 3.13Å
581Q93.4Very high92.1Very high84 Ų8456.2 Ų56.239%0.39327%0.27SS..PPolyproline II helixtrans-63.1131.3173.7-66.617852.600110.1A570 L571 E575 V739A570-Q581 WeakPolarHBondContact CA-O 3.45Å; L571-Q581 HydrophobicContact CD1-CB 4.29Å; L571-Q581 PolarHBondContact N-O 2.98Å; E575-Q581 PolarHBondContact OE1-NE2 2.92Å; E575-Q581 PolarHBondContact OE2-N 3.46Å; Q581-V739 HydrophobicContact CB-CG2 4.14Å; Q581-V739 HydrophobicContact CG-CG2 4.23Å
582Q94.3Very high92Very high72 Ų7256.5 Ų56.534%0.33627%0.272SS..EExtended strand (participates in β ladder)trans-97141-176.8-61.5-63.7-49.200109.5V569 K580 Q656V569-Q582 PolarHBondContact O-OE1 2.99Å; K580-Q582 PolarHBondContact O-N 3.33Å; K580-Q582 PolarHBondContact O-NE2 3.13Å; Q582-Q656 PolarHBondContact O-NE2 3.1Å
583G95Very high91.9Very high0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-143.7-136.9168.400000108.9R568 V569R568-G583 WeakPolarHBondContact CA-O 3.35Å; V569-G583 PolarHBondContact N-O 3.32Å; V569-G583 VanDerWaalsContact N-O 3.15Å; V569-G583 CarbonylContact O-C 3.58Å; V569-G583 PolarHBondContact O-N 3.14Å
584Y96.6Very high92.1Very high1 Ų149.4 Ų49.40%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-145.6159.3-179.152.3-105.1000112.7T566 K567 Q656 P659 L663 N664 D667T566-Y584 HydrophobicContact CG2-CD2 4.05Å; T566-Y584 HydrophobicContact CG2-CG 4.04Å; K567-Y584 CarbonylContact O-C 3.44Å; K567-Y584 VanDerWaalsContact O-CA 3.23Å; K567-Y584 WeakPolarHBondContact O-CA 3.25Å; Y584-Q656 HydrophobicContact CD1-CG 4.29Å; Y584-P659 HydrophobicContact CE1-CB 4.24Å; Y584-L663 HydrophobicContact CD1-CD1 4.49Å; Y584-L663 HydrophobicContact CE1-CB 3.7Å; Y584-L663 HydrophobicContact CE1-CD1 3.8Å; Y584-L663 HydrophobicContact CE1-CG 4.34Å; Y584-L663 HydrophobicContact CE2-CB 4.46Å; Y584-L663 WeakPolarHBondContact OH-CB 3.35Å; Y584-N664 PolarHBondContact OH-OD1 2.95Å; Y584-D667 HydrophobicContact CD2-CB 4.19Å; Y584-D667 HydrophobicContact CE2-CB 4.03Å
585S96.3Very high92.2Very high10 Ų1047.2 Ų47.27%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-131.3132.2171.5178.40000109.8T566 K567 D667T566-S585 WeakPolarHBondContact CA-O 3.34Å; K567-S585 PolarHBondContact N-O 3.05Å; K567-S585 PolarHBondContact O-N 3.35Å; S585-D667 VanDerWaalsContact CA-OD1 3.26Å; S585-D667 WeakPolarHBondContact CA-OD1 3.25Å
586T96.8Very high92.2Very high5 Ų550.7 Ų50.73%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-113.3135.1-175.3-55.60000111.1T564 F565 T566 D667 L696T564-T586 HydrophobicContact CG2-CG2 3.78Å; F565-T586 WeakPolarHBondContact O-CA 3.3Å; T566-T586 WeakPolarHBondContact CG2-OG1 3.25Å; T566-T586 WeakPolarHBondContact OG1-CG2 3.21Å; T566-T586 PolarHBondContact OG1-OG1 3.27Å; T586-D667 WeakPolarHBondContact CB-OD2 3.41Å; T586-D667 PolarHBondContact N-OD1 3.07Å; T586-D667 PolarHBondContact OG1-OD2 3.32Å; T586-L696 HydrophobicContact CG2-CD2 4.3Å
587V96.8Very high92.3Very high5 Ų547.1 Ų47.13%0.0323%0.229CC..EExtended strand (participates in β ladder)trans-128.8164.6169.5-68.70000110.7F565 L671 F681 T685 N693F565-V587 HydrophobicContact CB-CG2 4.29Å; F565-V587 HydrophobicContact CD1-CG2 4.39Å; F565-V587 PolarHBondContact N-O 3.26Å; F565-V587 PolarHBondContact O-N 3.15Å; V587-L671 HydrophobicContact CG1-CD1 4.17Å; V587-F681 HydrophobicContact CG1-CD1 4.11Å; V587-T685 HydrophobicContact CG2-CG2 3.5Å; V587-T685 VanDerWaalsContact CG2-CG2 3.5Å; V587-N693 VanDerWaalsContact CA-OD1 3.22Å; V587-N693 WeakPolarHBondContact CA-OD1 3.44Å; V587-N693 WeakPolarHBondContact CB-OD1 3.32Å
588S94.9Very high92.5Very high4 Ų441.7 Ų41.73%0.02821%0.205CC..  trans-148.9152-178.5-176.50000112.7I562 Y563 F590 S692 N693I562-S588 WeakPolarHBondContact CG2-OG 3.29Å; Y563-S588 WeakPolarHBondContact O-CB 3.21Å; Y563-S588 PolarHBondContact O-OG 2.87Å; S588-F590 WeakPolarHBondContact OG-CA 3.47Å; S588-F590 PolarHBondContact OG-N 3.08Å; S588-S692 WeakPolarHBondContact O-CB 3.25Å; S588-N693 PolarHBondContact N-OD1 2.83Å; S588-N693 PolarHBondContact O-ND2 2.92Å
589H89.9Confident92.8Very high54 Ų5436.8 Ų36.825%0.2517%0.171CC..  trans-79.4-9.3161.6-159.797.3000112.4N591 T621 G688 S692H589-N591 VanDerWaalsContact C-N 3.33Å; H589-N591 PolarHBondContact CD2-ND2 3.46Å; H589-N591 VanDerWaalsContact CD2-ND2 3.34Å; H589-T621 HydrophobicContact CB-CG2 4.06Å; H589-T621 PolarHBondContact ND1-OG1 3.26Å; H589-G688 PolarHBondContact ND1-N 3.46Å; H589-G688 VanDerWaalsContact ND1-N 3.1Å; H589-S692 VanDerWaalsContact C-CB 3.43Å; H589-S692 WeakPolarHBondContact O-CB 3.43Å; H589-S692 PolarHBondContact O-OG 2.75Å
590F93.3Very high92.7Very high20 Ų2028.7 Ų28.79%0.08815%0.15CC..  trans62.834.6-176.9-157.2-103.1000113.8L543 I562 S588 I592 S692 H695 L696 Y699 Y842L543-F590 HydrophobicContact CD2-CE1 4.26Å; L543-F590 HydrophobicContact CD2-CZ 4.19Å; I562-F590 HydrophobicContact CD1-CD2 4.47Å; I562-F590 HydrophobicContact CD1-CE2 3.77Å; I562-F590 HydrophobicContact CD1-CZ 4.46Å; I562-F590 HydrophobicContact CG1-CE2 4.23Å; I562-F590 HydrophobicContact CG2-CD2 4.01Å; I562-F590 HydrophobicContact CG2-CE2 4.38Å; S588-F590 WeakPolarHBondContact OG-CA 3.47Å; S588-F590 PolarHBondContact OG-N 3.08Å; F590-I592 HydrophobicContact CE1-CD1 4.04Å; F590-I592 HydrophobicContact CZ-CD1 4.28Å; F590-S692 WeakPolarHBondContact CB-O 3.4Å; F590-H695 HydrophobicContact CD1-CB 3.56Å; F590-H695 HydrophobicContact CD2-CB 3.58Å; F590-H695 HydrophobicContact CE1-CB 3.54Å; F590-H695 HydrophobicContact CE2-CB 3.56Å; F590-H695 WeakPolarHBondContact CE2-O 3.28Å; F590-H695 HydrophobicContact CG-CB 3.6Å; F590-H695 HydrophobicContact CZ-CB 3.55Å; F590-L696 HydrophobicContact CD2-CB 4.37Å; F590-Y699 AromaticContact CE2-CD2 3.93Å; F590-Y699 HydrophobicContact CE2-CD2 3.93Å; F590-Y699 AromaticContact CE2-CE2 3.81Å; F590-Y699 HydrophobicContact CE2-CE2 3.81Å; F590-Y699 HydrophobicContact CZ-CD2 4.24Å; F590-Y699 AromaticContact CZ-CE2 3.64Å; F590-Y699 HydrophobicContact CZ-CE2 3.64Å; F590-Y842 HydrophobicContact CD1-CE2 4.33Å; F590-Y842 HydrophobicContact CE1-CD2 4.07Å; F590-Y842 AromaticContact CE1-CE2 3.88Å; F590-Y842 HydrophobicContact CE1-CE2 3.88Å
591N91Very high92Very high37 Ų3726 Ų2620%0.19814%0.144CC..  trans-83.8139166.6-70.7-43.3000110.4Y563 H589 N618Y563-N591 HydrophobicContact CD2-CB 4.2Å; Y563-N591 PolarHBondContact N-O 3.41Å; H589-N591 VanDerWaalsContact C-N 3.33Å; H589-N591 PolarHBondContact CD2-ND2 3.46Å; H589-N591 VanDerWaalsContact CD2-ND2 3.34Å; N591-N618 WeakPolarHBondContact CB-OD1 3.45Å; N591-N618 WeakPolarHBondContact ND2-CA 3.35Å; N591-N618 PolarHBondContact ND2-O 3.11Å; N591-N618 PolarHBondContact ND2-OD1 3.18Å
592I93Very high91.5Very high13 Ų1323.5 Ų23.57%0.06713%0.134CC..EExtended strand (participates in β ladder)trans-114.6140.4-172.3-52.1177.3000108.4L543 C545 C546 L560 G561 I562 F590L543-I592 HydrophobicContact CB-CD1 3.55Å; L543-I592 HydrophobicContact CB-CG2 4.42Å; L543-I592 HydrophobicContact CD1-CD1 4.1Å; L543-I592 HydrophobicContact CD2-CD1 3.22Å; L543-I592 HydrophobicContact CG-CD1 3.74Å; C545-I592 CarbonylContact C-O 3.58Å; C545-I592 WeakPolarHBondContact CA-O 3.48Å; C546-I592 PolarHBondContact N-O 3.5Å; C546-I592 PolarHBondContact SG-O 3.45Å; L560-I592 HydrophobicContact CB-CG2 3.9Å; L560-I592 HydrophobicContact CD1-CG2 4.1Å; L560-I592 HydrophobicContact CD2-CG2 3.92Å; L560-I592 HydrophobicContact CG-CG2 4.2Å; G561-I592 CarbonylContact O-C 3.6Å; G561-I592 WeakPolarHBondContact O-CA 3.24Å; I562-I592 HydrophobicContact CG1-CG1 4.38Å; F590-I592 HydrophobicContact CE1-CD1 4.04Å; F590-I592 HydrophobicContact CZ-CD1 4.28Å
593V93.6Very high90.8Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-144.9146.2-179.667.30000109.7I547 L560 G561 Y563 C597 H598 L626I547-V593 HydrophobicContact CD1-CG2 3.65Å; I547-V593 HydrophobicContact CG1-CG2 4.05Å; L560-V593 CarbonylContact C-O 3.48Å; L560-V593 WeakPolarHBondContact CA-O 3.43Å; G561-V593 PolarHBondContact N-O 2.94Å; G561-V593 PolarHBondContact O-N 3Å; Y563-V593 HydrophobicContact CD2-CG1 4.23Å; Y563-V593 HydrophobicContact CE1-CG1 4.24Å; Y563-V593 HydrophobicContact CE2-CB 3.88Å; Y563-V593 HydrophobicContact CE2-CG1 3.59Å; V593-C597 HydrophobicContact CG2-CB 4.13Å; V593-H598 HydrophobicContact CG1-CB 4.04Å; V593-H598 HydrophobicContact CG2-CB 4.02Å; V593-L626 HydrophobicContact CG1-CD1 3.61Å; V593-L626 HydrophobicContact CG1-CD2 4.31Å
594H93.3Very high89.8Confident0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans-66.7138.2165.3-67.5120.4000109.5C545 C548 E550 L560 D596 C597 H598C545-H594 WeakPolarHBondContact CB-ND1 3.38Å; C545-H594 PolarHBondContact SG-N 3.4Å; C548-H594 PolarHBondContact SG-ND1 2.98Å; E550-H594 PolarHBondContact O-CE1 3.46Å; L560-H594 WeakPolarHBondContact CD2-CD2 3.44Å; L560-H594 WeakPolarHBondContact CD2-NE2 3.48Å; H594-D596 PolarHBondContact O-N 3.42Å; H594-C597 HydrophobicContact CB-CB 4Å; H594-C597 PolarHBondContact O-N 3.14Å; H594-H598 PolarHBondContact O-N 3.06Å
595Y93.7Very high88.4Confident6 Ų637.9 Ų37.92%0.02420%0.203CC..Hα-helixtrans-52.3-42.6173.5-91.9-104000111.5V559 C597 H598 L599 L626 P628 C642V559-Y595 HydrophobicContact CB-CD2 4.14Å; V559-Y595 HydrophobicContact CG1-CD2 3.81Å; V559-Y595 HydrophobicContact CG1-CE2 3.95Å; V559-Y595 PolarHBondContact O-N 3.47Å; Y595-C597 PolarHBondContact O-N 3.26Å; Y595-H598 PolarHBondContact O-N 3.41Å; Y595-L599 VanDerWaalsContact O-CG 3.27Å; Y595-L599 WeakPolarHBondContact O-CG 3.46Å; Y595-L599 PolarHBondContact O-N 2.85Å; Y595-L626 HydrophobicContact CD1-CD2 3.75Å; Y595-L626 HydrophobicContact CD2-CD2 3.91Å; Y595-L626 HydrophobicContact CD2-CG 4.45Å; Y595-L626 HydrophobicContact CE1-CB 4.48Å; Y595-L626 HydrophobicContact CE1-CD2 3.63Å; Y595-L626 HydrophobicContact CE1-CG 4.14Å; Y595-L626 HydrophobicContact CE2-CD2 3.79Å; Y595-L626 HydrophobicContact CE2-CG 3.88Å; Y595-L626 HydrophobicContact CG-CD2 3.89Å; Y595-L626 PolarHBondContact OH-O 3.35Å; Y595-P628 HydrophobicContact CE2-CB 3.9Å; Y595-P628 WeakPolarHBondContact OH-CD 3.44Å; Y595-C642 HydrophobicContact CD1-CB 4.19Å; Y595-C642 HydrophobicContact CD2-CB 4.3Å; Y595-C642 HydrophobicContact CE1-CB 3.77Å; Y595-C642 HydrophobicContact CE2-CB 3.9Å; Y595-C642 HydrophobicContact CG-CB 4.43Å; Y595-C642 PolarHBondContact OH-O 2.89Å
596D90.4Very high86.5Confident88 Ų8848.5 Ų48.547%0.47124%0.241SC..Hα-helixtrans-62.4-42.3177.7-60.3-22.1000112.8H594 L599 A600H594-D596 PolarHBondContact O-N 3.42Å; D596-L599 PolarHBondContact O-N 2.97Å; D596-A600 VanDerWaalsContact O-CB 3.29Å; D596-A600 WeakPolarHBondContact O-CB 3.19Å; D596-A600 PolarHBondContact O-N 2.74Å
597C86.2Confident84.6Confident24 Ų2452.5 Ų52.516%0.16228%0.283CS..Hα-helixtrans-66.9-39.3178.7-68.90000111.2I547 V593 H594 Y595 A601I547-C597 HydrophobicContact CB-CB 4.17Å; I547-C597 HydrophobicContact CD1-CB 3.96Å; I547-C597 HydrophobicContact CG2-CB 4.35Å; V593-C597 HydrophobicContact CG2-CB 4.13Å; H594-C597 HydrophobicContact CB-CB 4Å; H594-C597 PolarHBondContact O-N 3.14Å; Y595-C597 PolarHBondContact O-N 3.26Å; C597-A601 WeakPolarHBondContact O-CB 3.43Å; C597-A601 PolarHBondContact O-N 2.67Å
598H91.2Very high82.9Confident1 Ų159.9 Ų59.91%0.00531%0.311CS..Hα-helixtrans-62.8-51174.6171.154.7000111.4Y563 V593 H594 Y595 A600 A601 V602 E610 L626Y563-H598 AromaticContact CE1-ND1 3.91Å; Y563-H598 AromaticContact CZ-ND1 3.9Å; Y563-H598 PolarHBondContact OH-ND1 3.43Å; V593-H598 HydrophobicContact CG1-CB 4.04Å; V593-H598 HydrophobicContact CG2-CB 4.02Å; H594-H598 PolarHBondContact O-N 3.06Å; Y595-H598 PolarHBondContact O-N 3.41Å; H598-A600 VanDerWaalsContact C-N 3.3Å; H598-A600 PolarHBondContact O-N 3.34Å; H598-A601 PolarHBondContact O-N 2.8Å; H598-A601 VanDerWaalsContact O-N 3.11Å; H598-V602 VanDerWaalsContact CE1-CG2 3.42Å; H598-V602 WeakPolarHBondContact CE1-CG2 3.16Å; H598-V602 VanDerWaalsContact O-CG2 3.31Å; H598-V602 WeakPolarHBondContact O-CG2 3.44Å; H598-V602 PolarHBondContact O-N 3.44Å; H598-E610 IonicContact NE2-OE1 3.9Å; H598-E610 PolarHBondContact NE2-OE1 2.94Å; H598-L626 HydrophobicContact CB-CD2 4.37Å
599L88.9Confident82.2Confident44 Ų4465.8 Ų65.823%0.2334%0.338CS..Hα-helixtrans-60.4-39.5178.1-67.2170.1000112.1Y595 D596 R603Y595-L599 VanDerWaalsContact O-CG 3.27Å; Y595-L599 WeakPolarHBondContact O-CG 3.46Å; Y595-L599 PolarHBondContact O-N 2.85Å; D596-L599 PolarHBondContact O-N 2.97Å; L599-R603 WeakPolarHBondContact O-CB 3.49Å; L599-R603 VanDerWaalsContact O-CG 3.23Å; L599-R603 WeakPolarHBondContact O-CG 3.35Å; L599-R603 PolarHBondContact O-N 3.3Å
600A85.6Confident82Confident48 Ų4865.9 Ų65.940%0.39734%0.339SS..Hα-helixtrans-63.7-44.1174.900000111.7D596 H598 R603 L604D596-A600 VanDerWaalsContact O-CB 3.29Å; D596-A600 WeakPolarHBondContact O-CB 3.19Å; D596-A600 PolarHBondContact O-N 2.74Å; H598-A600 VanDerWaalsContact C-N 3.3Å; H598-A600 PolarHBondContact O-N 3.34Å; A600-R603 PolarHBondContact O-N 3.48Å; A600-L604 VanDerWaalsContact O-CG 3.29Å; A600-L604 WeakPolarHBondContact O-CG 3.28Å; A600-L604 PolarHBondContact O-N 3.25Å; A600-L604 VanDerWaalsContact O-N 3.14Å
601A78.6Confident81.9Confident29 Ų2966.7 Ų66.724%0.2434%0.341CS..Hα-helixtrans-63.3-43.3177.700000112.2I547 C597 H598 L604 A605I547-A601 HydrophobicContact CD1-CB 3.99Å; C597-A601 WeakPolarHBondContact O-CB 3.43Å; C597-A601 PolarHBondContact O-N 2.67Å; H598-A601 PolarHBondContact O-N 2.8Å; H598-A601 VanDerWaalsContact O-N 3.11Å; A601-L604 PolarHBondContact O-N 3.14Å; A601-A605 PolarHBondContact O-N 3.2Å
602V81.8Confident81.5Confident32 Ų3270.6 Ų70.619%0.19436%0.358CS..Hα-helixtrans-63.2-44.9177.2173.40000111H598 L604 A605 E610H598-V602 VanDerWaalsContact CE1-CG2 3.42Å; H598-V602 WeakPolarHBondContact CE1-CG2 3.16Å; H598-V602 VanDerWaalsContact O-CG2 3.31Å; H598-V602 WeakPolarHBondContact O-CG2 3.44Å; H598-V602 PolarHBondContact O-N 3.44Å; V602-L604 VanDerWaalsContact C-N 3.26Å; V602-L604 PolarHBondContact O-N 3.27Å; V602-A605 PolarHBondContact O-N 3.34Å; V602-A605 VanDerWaalsContact O-N 3.13Å; V602-E610 HydrophobicContact CG1-CB 4.08Å; V602-E610 HydrophobicContact CG1-CG 4.03Å; V602-E610 HydrophobicContact CG2-CG 3.87Å
603R80.3Confident80.8Confident197 Ų19770.4 Ų70.474%0.74336%0.358SS*.Hα-helixtrans-60.8-32.8176.7-74.8173-177.5-176.20.9113.3L599 A600L599-R603 WeakPolarHBondContact O-CB 3.49Å; L599-R603 VanDerWaalsContact O-CG 3.23Å; L599-R603 WeakPolarHBondContact O-CG 3.35Å; L599-R603 PolarHBondContact O-N 3.3Å; A600-R603 PolarHBondContact O-N 3.48Å
604L72.8Confident80.3Confident146 Ų14670.5 Ų70.576%0.76436%0.359SS*.Hα-helixtrans-75.3-24178.7-72.2169.6000113A600 A601 V602 R606A600-L604 VanDerWaalsContact O-CG 3.29Å; A600-L604 WeakPolarHBondContact O-CG 3.28Å; A600-L604 PolarHBondContact O-N 3.25Å; A600-L604 VanDerWaalsContact O-N 3.14Å; A601-L604 PolarHBondContact O-N 3.14Å; V602-L604 VanDerWaalsContact C-N 3.26Å; V602-L604 PolarHBondContact O-N 3.27Å; L604-R606 VanDerWaalsContact C-N 3.28Å; L604-R606 PolarHBondContact O-N 3.24Å
605A68.7Low79.6Confident32 Ų3271.4 Ų71.426%0.26437%0.366SS..THydrogen-bonded Turntrans-78.5-0.6-173.600000115.4A601 V602 S613A601-A605 PolarHBondContact O-N 3.2Å; V602-A605 PolarHBondContact O-N 3.34Å; V602-A605 VanDerWaalsContact O-N 3.13Å; A605-S613 WeakPolarHBondContact CB-OG 3.37Å
606R55.5Low78.6Confident233 Ų23375.5 Ų75.588%0.87939%0.388SS*.  trans16.1100174.2-67-170.9179.8-172.20.1115.6L604L604-R606 VanDerWaalsContact C-N 3.28Å; L604-R606 PolarHBondContact O-N 3.24Å
607G57.4Low77.8Confident89 Ų8974.9 Ų74.992%0.91838%0.382SS*.SBendtrans95.56171.100000115.8
608R60.3Low77.8Confident160 Ų16073.8 Ų73.860%0.60438%0.375SS*.SBendtrans-104.3151.7167.1-65-173.6-170.5-162.30.5110.5S613R608-S613 WeakPolarHBondContact CB-OG 3.31Å
609E79.8Confident77.1Confident129 Ų12976.3 Ų76.360%0.60340%0.396SS*.  trans-61144.4172.7-149.5-175.6170.800110.2W611 E612 S613E609-W611 VanDerWaalsContact C-N 3.25Å; E609-W611 PolarHBondContact O-N 3.28Å; E609-E612 HydrophobicContact CB-CB 4.34Å; E609-E612 HydrophobicContact CB-CG 4.02Å; E609-E612 PolarHBondContact O-N 3.24Å; E609-S613 PolarHBondContact O-N 3.14Å; E609-S613 VanDerWaalsContact O-N 3.13Å; E609-S613 PolarHBondContact O-OG 3.31Å
610E87.1Confident76.4Confident56 Ų5680.1 Ų80.126%0.26242%0.416SS..Hα-helixtrans-51.7-46.9-176.3171.5166.7169.600111.5H598 V602 S613 A614 Y649H598-E610 IonicContact NE2-OE1 3.9Å; H598-E610 PolarHBondContact NE2-OE1 2.94Å; V602-E610 HydrophobicContact CG1-CB 4.08Å; V602-E610 HydrophobicContact CG1-CG 4.03Å; V602-E610 HydrophobicContact CG2-CG 3.87Å; E610-S613 PolarHBondContact O-N 3.38Å; E610-A614 WeakPolarHBondContact O-CB 3.38Å; E610-A614 PolarHBondContact O-N 3.38Å; E610-Y649 PolarHBondContact OE1-OH 2.77Å
611W90.6Very high76.3Confident36 Ų3678 Ų7814%0.13640%0.398CS..Hα-helixtrans-77.3-30-174-64.2124.5000114Y563 E609 S613 A614 A615 C623 N624 G625 L626 Y649Y563-W611 HydrophobicContact CE1-CZ3 4.48Å; E609-W611 VanDerWaalsContact C-N 3.25Å; E609-W611 PolarHBondContact O-N 3.28Å; W611-S613 VanDerWaalsContact C-N 3.31Å; W611-A614 HydrophobicContact CE3-CB 3.97Å; W611-A614 HydrophobicContact CZ3-CB 4.44Å; W611-A614 PolarHBondContact O-N 2.95Å; W611-A615 PolarHBondContact O-N 2.96Å; W611-C623 VanDerWaalsContact CB-O 3.3Å; W611-C623 WeakPolarHBondContact CB-O 3.5Å; W611-N624 HydrophobicContact CG-CB 4.5Å; W611-N624 WeakPolarHBondContact CZ2-O 3.39Å; W611-G625 VanDerWaalsContact CH2-CA 3.46Å; W611-L626 HydrophobicContact CH2-CB 4.43Å; W611-Y649 HydrophobicContact CH2-CD1 4.44Å; W611-Y649 HydrophobicContact CH2-CD2 4.02Å; W611-Y649 HydrophobicContact CH2-CE1 4.25Å; W611-Y649 AromaticContact CH2-CE2 3.85Å; W611-Y649 HydrophobicContact CH2-CE2 3.85Å; W611-Y649 HydrophobicContact CH2-CG 4.3Å; W611-Y649 AromaticContact CH2-CZ 3.94Å; W611-Y649 AromaticContact CZ2-CD1 3.62Å; W611-Y649 HydrophobicContact CZ2-CD1 3.62Å; W611-Y649 AromaticContact CZ2-CD2 3.96Å; W611-Y649 HydrophobicContact CZ2-CD2 3.96Å; W611-Y649 AromaticContact CZ2-CE1 3.61Å; W611-Y649 HydrophobicContact CZ2-CE1 3.61Å; W611-Y649 AromaticContact CZ2-CE2 3.99Å; W611-Y649 HydrophobicContact CZ2-CE2 3.99Å; W611-Y649 AromaticContact CZ2-CG 3.77Å; W611-Y649 HydrophobicContact CZ2-CG 3.77Å; W611-Y649 AromaticContact CZ2-CZ 3.78Å
612E81.7Confident76.7Confident119 Ų11982.9 Ų82.956%0.55641%0.414SS*.Hα-helixtrans-64.4-39.2168.9-70-171.1149.900111.5E609E609-E612 HydrophobicContact CB-CB 4.34Å; E609-E612 HydrophobicContact CB-CG 4.02Å; E609-E612 PolarHBondContact O-N 3.24Å
613S79.9Confident77.2Confident10 Ų1081.6 Ų81.67%0.0741%0.407CS..Hα-helixtrans-71.9-39.3177.3-57.30000111.6A605 R608 E609 E610 W611 A615 L616A605-S613 WeakPolarHBondContact CB-OG 3.37Å; R608-S613 WeakPolarHBondContact CB-OG 3.31Å; E609-S613 PolarHBondContact O-N 3.14Å; E609-S613 VanDerWaalsContact O-N 3.13Å; E609-S613 PolarHBondContact O-OG 3.31Å; E610-S613 PolarHBondContact O-N 3.38Å; W611-S613 VanDerWaalsContact C-N 3.31Å; S613-A615 VanDerWaalsContact C-N 3.33Å; S613-A615 PolarHBondContact O-N 3.49Å; S613-L616 PolarHBondContact O-N 3.38Å
614A83Confident77.9Confident2 Ų273.4 Ų73.42%0.01738%0.378CS..Hα-helixtrans-64.7-35.2177.200000112.5Y563 E610 W611 L616 Q617 N618Y563-A614 HydrophobicContact CE1-CB 3.82Å; E610-A614 WeakPolarHBondContact O-CB 3.38Å; E610-A614 PolarHBondContact O-N 3.38Å; W611-A614 HydrophobicContact CE3-CB 3.97Å; W611-A614 HydrophobicContact CZ3-CB 4.44Å; W611-A614 PolarHBondContact O-N 2.95Å; A614-L616 PolarHBondContact O-N 2.88Å; A614-Q617 CarbonylContact O-C 3.51Å; A614-Q617 PolarHBondContact O-N 2.75Å; A614-N618 WeakPolarHBondContact O-CB 3.39Å; A614-N618 PolarHBondContact O-N 2.88Å
615A79Confident79Confident19 Ų1966.5 Ų66.516%0.15734%0.342CS..Hα-helixtrans-55.7-35.3178.300000112.6W611 S613 Q617 N618 N620W611-A615 PolarHBondContact O-N 2.96Å; S613-A615 VanDerWaalsContact C-N 3.33Å; S613-A615 PolarHBondContact O-N 3.49Å; A615-Q617 VanDerWaalsContact C-N 3.32Å; A615-Q617 PolarHBondContact O-N 3.22Å; A615-N618 CarbonylContact O-C 3.34Å; A615-N618 PolarHBondContact O-N 3.01Å; A615-N618 VanDerWaalsContact O-N 3.15Å; A615-N620 WeakPolarHBondContact O-CA 3.35Å; A615-N620 PolarHBondContact O-N 2.96Å
616L71.7Confident80.3Confident91 Ų9165 Ų6548%0.47633%0.33SS..Hα-helixtrans-62.7-37.9176-63.9172.6000112.5S613 A614 N618S613-L616 PolarHBondContact O-N 3.38Å; A614-L616 PolarHBondContact O-N 2.88Å; L616-N618 VanDerWaalsContact C-N 3.33Å
617Q74.2Confident82.3Confident75 Ų7554.1 Ų54.135%0.3529%0.289SS..Hα-helixtrans-81.4-18.5177.3-54.5-56.1-30.500112.2C546 I547 Y563 A614 A615 A619C546-Q617 PolarHBondContact SG-O 2.82Å; I547-Q617 HydrophobicContact CD1-CG 4.19Å; I547-Q617 HydrophobicContact CG1-CG 4.37Å; Y563-Q617 HydrophobicContact CE2-CB 4.38Å; A614-Q617 CarbonylContact O-C 3.51Å; A614-Q617 PolarHBondContact O-N 2.75Å; A615-Q617 VanDerWaalsContact C-N 3.32Å; A615-Q617 PolarHBondContact O-N 3.22Å; Q617-A619 VanDerWaalsContact C-N 3.32Å; Q617-A619 PolarHBondContact O-N 3.16Å
618N85Confident84.2Confident2 Ų250 Ų501%0.01125%0.246CC..THydrogen-bonded Turntrans-95.636.6175.9-16933.8000112.3Y563 N591 A614 A615 L616 N620 T621Y563-N618 HydrophobicContact CD2-CB 3.86Å; Y563-N618 HydrophobicContact CE2-CB 4.37Å; Y563-N618 HydrophobicContact CG-CB 4.07Å; N591-N618 WeakPolarHBondContact CB-OD1 3.45Å; N591-N618 WeakPolarHBondContact ND2-CA 3.35Å; N591-N618 PolarHBondContact ND2-O 3.11Å; N591-N618 PolarHBondContact ND2-OD1 3.18Å; A614-N618 WeakPolarHBondContact O-CB 3.39Å; A614-N618 PolarHBondContact O-N 2.88Å; A615-N618 CarbonylContact O-C 3.34Å; A615-N618 PolarHBondContact O-N 3.01Å; A615-N618 VanDerWaalsContact O-N 3.15Å; L616-N618 VanDerWaalsContact C-N 3.33Å; N618-N620 VanDerWaalsContact C-N 3.3Å; N618-N620 PolarHBondContact O-N 2.82Å; N618-T621 PolarHBondContact ND2-O 2.97Å; N618-T621 VanDerWaalsContact O-CB 3.23Å; N618-T621 WeakPolarHBondContact O-CB 3.48Å; N618-T621 PolarHBondContact O-N 3.27Å; N618-T621 PolarHBondContact O-OG1 3.45Å
619A76.6Confident85.9Confident53 Ų5342.7 Ų42.744%0.43822%0.219SC..THydrogen-bonded Turntrans54.740.5178.700000114.1Q617 T621Q617-A619 VanDerWaalsContact C-N 3.32Å; Q617-A619 PolarHBondContact O-N 3.16Å; A619-T621 PolarHBondContact O-N 3.4Å; A619-T621 VanDerWaalsContact O-N 3.16Å
620N75.8Confident86.5Confident124 Ų12437.8 Ų37.866%0.66320%0.195SC*.THydrogen-bonded Turntrans57.721.8-174.9-57.9-57.5000114.3A615 N618A615-N620 WeakPolarHBondContact O-CA 3.35Å; A615-N620 PolarHBondContact O-N 2.96Å; N618-N620 VanDerWaalsContact C-N 3.3Å; N618-N620 PolarHBondContact O-N 2.82Å
621T81.5Confident86.8Confident3 Ų335.1 Ų35.12%0.01818%0.182CC..  trans-94.9134.8174.3-56.40000109.4H589 N618 A619 T685H589-T621 HydrophobicContact CB-CG2 4.06Å; H589-T621 PolarHBondContact ND1-OG1 3.26Å; N618-T621 PolarHBondContact ND2-O 2.97Å; N618-T621 VanDerWaalsContact O-CB 3.23Å; N618-T621 WeakPolarHBondContact O-CB 3.48Å; N618-T621 PolarHBondContact O-N 3.27Å; N618-T621 PolarHBondContact O-OG1 3.45Å; A619-T621 PolarHBondContact O-N 3.4Å; A619-T621 VanDerWaalsContact O-N 3.16Å; T621-T685 WeakPolarHBondContact CG2-O 3.49Å
622K87.6Confident86.8Confident132 Ų13235.1 Ų35.157%0.57419%0.187SC*.  trans-60.2140177.1-62.4-177.5178.3-177.80110.6F565 T685F565-K622 HydrophobicContact CD2-CB 4.05Å; F565-K622 HydrophobicContact CE2-CB 4.24Å; K622-T685 PolarHBondContact N-O 3.2Å
623C93.4Very high87.3Confident5 Ų535.7 Ų35.73%0.03419%0.19CC..  trans-145.5146.6174.549.60000108.4Y563 T564 W611Y563-C623 HydrophobicContact CD1-CB 4.15Å; Y563-C623 HydrophobicContact CG-CB 4.46Å; T564-C623 CarbonylContact O-C 3.54Å; T564-C623 VanDerWaalsContact O-CA 3.28Å; T564-C623 WeakPolarHBondContact O-CA 3.33Å; T564-C623 WeakPolarHBondContact O-CB 3.35Å; W611-C623 VanDerWaalsContact CB-O 3.3Å; W611-C623 WeakPolarHBondContact CB-O 3.5Å
624N94.8Very high88Confident25 Ų2535.3 Ų35.313%0.13419%0.187CC..SBendtrans-138.217.2177.563.22000111.6T564 F565 T566 W611 C653T564-N624 PolarHBondContact O-N 3.31Å; F565-N624 VanDerWaalsContact CA-OD1 3.26Å; F565-N624 WeakPolarHBondContact CA-OD1 3.23Å; F565-N624 HydrophobicContact CD2-CB 4.48Å; T566-N624 PolarHBondContact N-OD1 2.57Å; T566-N624 PolarHBondContact O-ND2 2.8Å; W611-N624 HydrophobicContact CG-CB 4.5Å; W611-N624 WeakPolarHBondContact CZ2-O 3.39Å; N624-C653 HydrophobicContact CB-CB 4.35Å; N624-C653 WeakPolarHBondContact ND2-CB 3.15Å
625G95.3Very high88.6Confident2 Ų238 Ų382%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-160.3162.5178.400000111.5T564 W611T564-G625 PolarHBondContact N-O 2.9Å; T564-G625 PolarHBondContact O-N 3.43Å; T564-G625 VanDerWaalsContact O-N 3.11Å; T564-G625 VanDerWaalsContact OG1-C 3.28Å; T564-G625 PolarHBondContact OG1-O 2.91Å; W611-G625 VanDerWaalsContact CH2-CA 3.46Å
626L96.8Very high89.4Confident0 Ų041.8 Ų41.80%022%0.219CC..EExtended strand (participates in β ladder)trans-133.3108.2176-171.563.4000107.7I562 Y563 V593 Y595 H598 W611 H646 Y649I562-L626 WeakPolarHBondContact O-CA 3.36Å; Y563-L626 HydrophobicContact CD1-CD1 3.91Å; Y563-L626 HydrophobicContact CE1-CD1 4.04Å; Y563-L626 HydrophobicContact CG-CD1 4.33Å; V593-L626 HydrophobicContact CG1-CD1 3.61Å; V593-L626 HydrophobicContact CG1-CD2 4.31Å; Y595-L626 HydrophobicContact CD1-CD2 3.75Å; Y595-L626 HydrophobicContact CD2-CD2 3.91Å; Y595-L626 HydrophobicContact CD2-CG 4.45Å; Y595-L626 HydrophobicContact CE1-CB 4.48Å; Y595-L626 HydrophobicContact CE1-CD2 3.63Å; Y595-L626 HydrophobicContact CE1-CG 4.14Å; Y595-L626 HydrophobicContact CE2-CD2 3.79Å; Y595-L626 HydrophobicContact CE2-CG 3.88Å; Y595-L626 HydrophobicContact CG-CD2 3.89Å; Y595-L626 PolarHBondContact OH-O 3.35Å; H598-L626 HydrophobicContact CB-CD2 4.37Å; W611-L626 HydrophobicContact CH2-CB 4.43Å; L626-H646 VanDerWaalsContact C-ND1 3.33Å; L626-H646 WeakPolarHBondContact O-CB 3.43Å; L626-H646 PolarHBondContact O-ND1 2.93Å; L626-Y649 HydrophobicContact CB-CE2 4.16Å
627L97.7Very high90.5Very high5 Ų541.6 Ų41.63%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-85.1119.8-179.5175.873.7000109.3G561 I562 T564 L696 I700G561-L627 CarbonylContact C-O 3.53Å; G561-L627 VanDerWaalsContact CA-O 3.22Å; G561-L627 WeakPolarHBondContact CA-O 3.36Å; I562-L627 HydrophobicContact CB-CB 4.44Å; I562-L627 HydrophobicContact CD1-CD2 4.43Å; I562-L627 PolarHBondContact N-O 3.29Å; I562-L627 PolarHBondContact O-N 3.37Å; T564-L627 HydrophobicContact CG2-CB 3.75Å; L627-L696 HydrophobicContact CD2-CD1 3.78Å; L627-I700 HydrophobicContact CD2-CG1 4.08Å
628P97.2Very high91.5Very high3 Ų339.6 Ų39.62%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-73.7145.1-176.430.8-36.3000112.6V559 L560 Y595 F639 C642 L643V559-P628 HydrophobicContact CG1-CB 3.97Å; L560-P628 WeakPolarHBondContact O-CA 3.34Å; Y595-P628 HydrophobicContact CE2-CB 3.9Å; Y595-P628 WeakPolarHBondContact OH-CD 3.44Å; P628-F639 HydrophobicContact CB-CD2 3.91Å; P628-F639 HydrophobicContact CB-CE2 3.78Å; P628-F639 HydrophobicContact CG-CD2 4.22Å; P628-F639 HydrophobicContact CG-CE2 3.72Å; P628-F639 HydrophobicContact CG-CZ 4.43Å; P628-C642 HydrophobicContact CB-CB 3.84Å; P628-C642 HydrophobicContact CG-CB 4.42Å; P628-L643 HydrophobicContact CG-CB 3.94Å; P628-L643 HydrophobicContact CG-CD1 4.02Å
629V95.3Very high92Very high5 Ų539.5 Ų39.53%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-107.9120.9171.6-177.90000108.6L543 Y552 L560 I562 G631 Y699L543-V629 HydrophobicContact CD1-CG1 3.86Å; L543-V629 HydrophobicContact CD1-CG2 4.37Å; Y552-V629 HydrophobicContact CE2-CG1 4.46Å; Y552-V629 WeakPolarHBondContact OH-CG1 3.38Å; Y552-V629 PolarHBondContact OH-O 3.31Å; L560-V629 HydrophobicContact CB-CB 4.23Å; L560-V629 PolarHBondContact O-N 3.13Å; I562-V629 HydrophobicContact CD1-CG2 3.64Å; I562-V629 HydrophobicContact CG1-CG2 3.79Å; V629-G631 PolarHBondContact O-N 3.23Å; V629-Y699 HydrophobicContact CB-CD1 4.37Å; V629-Y699 HydrophobicContact CG1-CD1 3.8Å; V629-Y699 HydrophobicContact CG1-CE1 3.65Å; V629-Y699 HydrophobicContact CG2-CD1 3.83Å; V629-Y699 HydrophobicContact CG2-CE1 4.17Å; V629-Y699 HydrophobicContact CG2-CG 4.37Å
630W93.3Very high92.9Very high26 Ų2638.6 Ų38.610%0.09821%0.213CC..  trans-84.1105.7175.3-16513000110V634 E636 F639 H702 Y706 R835W630-V634 PolarHBondContact NE1-O 3.33Å; W630-E636 HydrophobicContact CH2-CB 4.45Å; W630-E636 HydrophobicContact CH2-CG 4.07Å; W630-E636 HydrophobicContact CZ2-CB 3.76Å; W630-E636 HydrophobicContact CZ2-CG 3.84Å; W630-F639 HydrophobicContact CB-CB 4.39Å; W630-F639 HydrophobicContact CB-CD1 4.14Å; W630-F639 HydrophobicContact CB-CD2 3.48Å; W630-F639 VanDerWaalsContact CB-CD2 3.48Å; W630-F639 HydrophobicContact CB-CE1 4.3Å; W630-F639 HydrophobicContact CB-CE2 3.67Å; W630-F639 HydrophobicContact CB-CG 3.72Å; W630-F639 HydrophobicContact CB-CZ 4.08Å; W630-F639 AromaticContact CD1-CG 3.98Å; W630-F639 HydrophobicContact CD2-CB 4.48Å; W630-F639 AromaticContact CD2-CD1 3.99Å; W630-F639 HydrophobicContact CD2-CD1 3.99Å; W630-F639 HydrophobicContact CD2-CE1 4.45Å; W630-F639 HydrophobicContact CD2-CG 4.16Å; W630-F639 HydrophobicContact CE3-CD1 4.19Å; W630-F639 HydrophobicContact CE3-CE1 4.29Å; W630-F639 HydrophobicContact CG-CB 3.98Å; W630-F639 AromaticContact CG-CD1 3.99Å; W630-F639 HydrophobicContact CG-CD1 3.99Å; W630-F639 AromaticContact CG-CD2 3.98Å; W630-F639 HydrophobicContact CG-CD2 3.98Å; W630-F639 HydrophobicContact CG-CE2 4.5Å; W630-F639 AromaticContact CG-CG 3.69Å; W630-F639 HydrophobicContact CG-CG 3.69Å; W630-H702 AromaticContact CE3-NE2 3.85Å; W630-Y706 HydrophobicContact CE3-CD2 4.06Å; W630-Y706 HydrophobicContact CH2-CD2 4.34Å; W630-Y706 HydrophobicContact CH2-CE2 4.29Å; W630-Y706 AromaticContact CZ3-CD2 3.65Å; W630-Y706 HydrophobicContact CZ3-CD2 3.65Å; W630-Y706 HydrophobicContact CZ3-CE2 4.04Å; W630-R835 VanDerWaalsContact CE2-CZ 3.46Å; W630-R835 WeakPolarHBondContact O-CG 3.48Å
631G91.9Very high93.9Very high0 Ų036.8 Ų36.80%021%0.206CC..  trans-84.1172.5177.900000113.9Y552 V629 H633 V634 R835Y552-G631 VanDerWaalsContact CZ-CA 3.44Å; Y552-G631 PolarHBondContact OH-N 3.43Å; V629-G631 PolarHBondContact O-N 3.23Å; G631-H633 PolarHBondContact O-N 3.19Å; G631-V634 PolarHBondContact O-N 3.12Å; G631-R835 PolarHBondContact O-NE 3.32Å
632P91.3Very high94.6Very high36 Ų3637.3 Ų37.323%0.23421%0.21CC..THydrogen-bonded Turntrans-57.6-47.8-176.8-26.134.5000113.7R835P632-R835 VanDerWaalsContact CD-O 3.29Å; P632-R835 WeakPolarHBondContact CD-O 3.21Å; P632-R835 WeakPolarHBondContact CG-O 3.43Å; P632-R835 PolarHBondContact O-NH2 2.93Å; P632-R835 VanDerWaalsContact O-NH2 3.1Å
633H92.9Very high94.9Very high132 Ų13231.4 Ų31.461%0.61119%0.185SC*.THydrogen-bonded Turntrans-103.46.9-175.4-52.7101.2000113P556 G631 P635P556-H633 HydrophobicContact CB-CB 3.93Å; P556-H633 CarbonylContact O-C 3.12Å; P556-H633 WeakPolarHBondContact O-CB 3.27Å; G631-H633 PolarHBondContact O-N 3.19Å; H633-P635 WeakPolarHBondContact O-CD 3.38Å
634V94.9Very high95Very high1 Ų133.8 Ų33.81%0.00621%0.205CC..SBendtrans-73.5123.9175.5174.30000108.7Y552 P556 K558 V559 W630 G631 F639 R835Y552-V634 HydrophobicContact CD1-CG2 4.21Å; Y552-V634 HydrophobicContact CE1-CG2 3.5Å; Y552-V634 VanDerWaalsContact CE1-CG2 3.5Å; P556-V634 PolarHBondContact O-N 3.19Å; K558-V634 WeakPolarHBondContact O-CG2 3.26Å; V559-V634 HydrophobicContact CG2-CG1 3.61Å; W630-V634 PolarHBondContact NE1-O 3.33Å; G631-V634 PolarHBondContact O-N 3.12Å; V634-F639 HydrophobicContact CG1-CB 4.35Å; V634-R835 PolarHBondContact O-NH2 2.97Å
635P95.2Very high95Very high59 Ų5936.8 Ų36.838%0.38321%0.214SC..  trans-59.7138.2175.7-23.133.8000111.5H633 S637 A638 F639H633-P635 WeakPolarHBondContact O-CD 3.38Å; P635-S637 PolarHBondContact O-N 3.1Å; P635-A638 HydrophobicContact CB-CB 4.29Å; P635-A638 WeakPolarHBondContact O-CB 3.32Å; P635-A638 PolarHBondContact O-N 2.8Å; P635-F639 PolarHBondContact O-N 3.44Å; P635-F639 VanDerWaalsContact O-N 3.11Å
636E94.8Very high94.9Very high99 Ų9937 Ų3746%0.46321%0.214SC..Hα-helixtrans-56.1-40.6178.1-173.9178.2177.100111.8W630 A638 F639 A640 Y706W630-E636 HydrophobicContact CH2-CB 4.45Å; W630-E636 HydrophobicContact CH2-CG 4.07Å; W630-E636 HydrophobicContact CZ2-CB 3.76Å; W630-E636 HydrophobicContact CZ2-CG 3.84Å; E636-A638 VanDerWaalsContact C-N 3.32Å; E636-A638 PolarHBondContact O-N 2.96Å; E636-F639 PolarHBondContact O-N 2.9Å; E636-A640 VanDerWaalsContact O-CB 3.31Å; E636-A640 WeakPolarHBondContact O-CB 3.28Å; E636-A640 PolarHBondContact O-N 3.36Å; E636-Y706 HydrophobicContact CG-CE2 4.14Å
637S95.4Very high94.8Very high87 Ų8739.1 Ų39.161%0.60823%0.226SC*.Hα-helixtrans-58.8-41.7176.554.30000112.5P635 A640 T641P635-S637 PolarHBondContact O-N 3.1Å; S637-A640 PolarHBondContact O-N 3.19Å; S637-T641 PolarHBondContact O-N 3.11Å; S637-T641 PolarHBondContact O-OG1 2.92Å
638A94.9Very high94.6Very high32 Ų3241.9 Ų41.926%0.26424%0.243SC..Hα-helixtrans-67.1-42.5178.100000111.6V559 P635 E636 C642V559-A638 HydrophobicContact CG2-CB 3.83Å; P635-A638 HydrophobicContact CB-CB 4.29Å; P635-A638 WeakPolarHBondContact O-CB 3.32Å; P635-A638 PolarHBondContact O-N 2.8Å; E636-A638 VanDerWaalsContact C-N 3.32Å; E636-A638 PolarHBondContact O-N 2.96Å; A638-C642 PolarHBondContact O-N 3.09Å; A638-C642 VanDerWaalsContact O-N 3.11Å; A638-C642 PolarHBondContact O-SG 3.4Å
639F96.2Very high94.5Very high1 Ų142.5 Ų42.50%0.00425%0.245CC..Hα-helixtrans-62.3-47.5174.1173-105.9000111.6P628 W630 V634 P635 E636 T641 C642 L643 Y706P628-F639 HydrophobicContact CB-CD2 3.91Å; P628-F639 HydrophobicContact CB-CE2 3.78Å; P628-F639 HydrophobicContact CG-CD2 4.22Å; P628-F639 HydrophobicContact CG-CE2 3.72Å; P628-F639 HydrophobicContact CG-CZ 4.43Å; W630-F639 HydrophobicContact CB-CB 4.39Å; W630-F639 HydrophobicContact CB-CD1 4.14Å; W630-F639 HydrophobicContact CB-CD2 3.48Å; W630-F639 VanDerWaalsContact CB-CD2 3.48Å; W630-F639 HydrophobicContact CB-CE1 4.3Å; W630-F639 HydrophobicContact CB-CE2 3.67Å; W630-F639 HydrophobicContact CB-CG 3.72Å; W630-F639 HydrophobicContact CB-CZ 4.08Å; W630-F639 AromaticContact CD1-CG 3.98Å; W630-F639 HydrophobicContact CD2-CB 4.48Å; W630-F639 AromaticContact CD2-CD1 3.99Å; W630-F639 HydrophobicContact CD2-CD1 3.99Å; W630-F639 HydrophobicContact CD2-CE1 4.45Å; W630-F639 HydrophobicContact CD2-CG 4.16Å; W630-F639 HydrophobicContact CE3-CD1 4.19Å; W630-F639 HydrophobicContact CE3-CE1 4.29Å; W630-F639 HydrophobicContact CG-CB 3.98Å; W630-F639 AromaticContact CG-CD1 3.99Å; W630-F639 HydrophobicContact CG-CD1 3.99Å; W630-F639 AromaticContact CG-CD2 3.98Å; W630-F639 HydrophobicContact CG-CD2 3.98Å; W630-F639 HydrophobicContact CG-CE2 4.5Å; W630-F639 AromaticContact CG-CG 3.69Å; W630-F639 HydrophobicContact CG-CG 3.69Å; V634-F639 HydrophobicContact CG1-CB 4.35Å; P635-F639 PolarHBondContact O-N 3.44Å; P635-F639 VanDerWaalsContact O-N 3.11Å; E636-F639 PolarHBondContact O-N 2.9Å; F639-T641 VanDerWaalsContact C-N 3.34Å; F639-T641 PolarHBondContact O-N 3.29Å; F639-C642 PolarHBondContact O-N 3.18Å; F639-C642 VanDerWaalsContact O-N 3.11Å; F639-L643 HydrophobicContact CE1-CD2 4.16Å; F639-L643 HydrophobicContact CZ-CD2 4.31Å; F639-L643 WeakPolarHBondContact O-CB 3.39Å; F639-L643 PolarHBondContact O-N 3.49Å; F639-Y706 HydrophobicContact CD1-CD2 4.19Å; F639-Y706 HydrophobicContact CD1-CE2 4.04Å; F639-Y706 HydrophobicContact CD1-CG 4.49Å; F639-Y706 AromaticContact CE1-CD1 3.87Å; F639-Y706 HydrophobicContact CE1-CD1 3.87Å; F639-Y706 AromaticContact CE1-CD2 3.77Å; F639-Y706 HydrophobicContact CE1-CD2 3.77Å; F639-Y706 HydrophobicContact CE1-CE1 4.13Å; F639-Y706 HydrophobicContact CE1-CE2 4.04Å; F639-Y706 AromaticContact CE1-CG 3.68Å; F639-Y706 HydrophobicContact CE1-CG 3.68Å
640A95.1Very high94.5Very high33 Ų3342.4 Ų42.427%0.27324%0.244SC..Hα-helixtrans-59.6-42.117900000112.2E636 S637 L643 A644E636-A640 VanDerWaalsContact O-CB 3.31Å; E636-A640 WeakPolarHBondContact O-CB 3.28Å; E636-A640 PolarHBondContact O-N 3.36Å; S637-A640 PolarHBondContact O-N 3.19Å; A640-L643 PolarHBondContact O-N 3.39Å; A640-A644 WeakPolarHBondContact O-CB 3.48Å; A640-A644 PolarHBondContact O-N 3.48Å
641T95.9Very high94.5Very high87 Ų8745.3 Ų45.353%0.53426%0.259SS..Hα-helixtrans-62-42.6173.9-60.80000112S637 F639 A644 R645S637-T641 PolarHBondContact O-N 3.11Å; S637-T641 PolarHBondContact O-OG1 2.92Å; F639-T641 VanDerWaalsContact C-N 3.34Å; F639-T641 PolarHBondContact O-N 3.29Å; T641-A644 PolarHBondContact O-N 2.89Å; T641-R645 PolarHBondContact O-N 3.47Å; T641-R645 VanDerWaalsContact O-N 3.11Å
642C96.4Very high94.4Very high13 Ų1351.5 Ų51.59%0.08829%0.288CS..Hα-helixtrans-69.2-34.1177.9-660000112.3V559 Y595 P628 A638 F639 R645 H646V559-C642 HydrophobicContact CG1-CB 3.94Å; Y595-C642 HydrophobicContact CD1-CB 4.19Å; Y595-C642 HydrophobicContact CD2-CB 4.3Å; Y595-C642 HydrophobicContact CE1-CB 3.77Å; Y595-C642 HydrophobicContact CE2-CB 3.9Å; Y595-C642 HydrophobicContact CG-CB 4.43Å; Y595-C642 PolarHBondContact OH-O 2.89Å; P628-C642 HydrophobicContact CB-CB 3.84Å; P628-C642 HydrophobicContact CG-CB 4.42Å; A638-C642 PolarHBondContact O-N 3.09Å; A638-C642 VanDerWaalsContact O-N 3.11Å; A638-C642 PolarHBondContact O-SG 3.4Å; F639-C642 PolarHBondContact O-N 3.18Å; F639-C642 VanDerWaalsContact O-N 3.11Å; C642-R645 PolarHBondContact O-N 3.37Å; C642-H646 PolarHBondContact O-N 3.32Å
643L95.1Very high94.5Very high9 Ų951.8 Ų51.85%0.04729%0.29CS..Hα-helixtrans-69.3-40.3174.9-17762.2000111.8P628 F639 A640 R645 H646 N647 T703 Y706P628-L643 HydrophobicContact CG-CB 3.94Å; P628-L643 HydrophobicContact CG-CD1 4.02Å; F639-L643 HydrophobicContact CE1-CD2 4.16Å; F639-L643 HydrophobicContact CZ-CD2 4.31Å; F639-L643 WeakPolarHBondContact O-CB 3.39Å; F639-L643 PolarHBondContact O-N 3.49Å; A640-L643 PolarHBondContact O-N 3.39Å; L643-R645 VanDerWaalsContact C-N 3.28Å; L643-R645 PolarHBondContact O-N 3.19Å; L643-H646 WeakPolarHBondContact O-CB 3.26Å; L643-H646 PolarHBondContact O-N 2.93Å; L643-N647 PolarHBondContact O-N 2.69Å; L643-T703 HydrophobicContact CD1-CG2 3.69Å; L643-T703 HydrophobicContact CD2-CG2 4.41Å; L643-Y706 HydrophobicContact CD2-CD1 3.62Å; L643-Y706 HydrophobicContact CD2-CE1 3.81Å
644A94.3Very high94.4Very high55 Ų5545.8 Ų45.846%0.45526%0.263SS..Hα-helixtrans-58.6-4317200000111.1A640 T641 N647 T648A640-A644 WeakPolarHBondContact O-CB 3.48Å; A640-A644 PolarHBondContact O-N 3.48Å; T641-A644 PolarHBondContact O-N 2.89Å; A644-N647 WeakPolarHBondContact O-CB 3.32Å; A644-N647 PolarHBondContact O-N 3.44Å; A644-T648 PolarHBondContact O-N 2.98Å; A644-T648 VanDerWaalsContact O-N 3.08Å; A644-T648 PolarHBondContact O-OG1 2.91Å
645R94.2Very high94.1Very high88 Ų8848.1 Ų48.133%0.33229%0.288SS..Hα-helixtrans-64-41.1174.5-169.1178-64.3166.30.6112.6T641 C642 L643 N647 T648 Y649T641-R645 PolarHBondContact O-N 3.47Å; T641-R645 VanDerWaalsContact O-N 3.11Å; C642-R645 PolarHBondContact O-N 3.37Å; L643-R645 VanDerWaalsContact C-N 3.28Å; L643-R645 PolarHBondContact O-N 3.19Å; R645-N647 VanDerWaalsContact C-N 3.28Å; R645-N647 PolarHBondContact O-N 3.47Å; R645-T648 WeakPolarHBondContact O-CB 3.48Å; R645-T648 PolarHBondContact O-N 3.12Å; R645-T648 VanDerWaalsContact O-N 3.17Å; R645-Y649 WeakPolarHBondContact CD-OH 3.29Å; R645-Y649 HydrophobicContact CG-CD2 4.43Å; R645-Y649 HydrophobicContact CG-CE1 4.17Å; R645-Y649 HydrophobicContact CG-CE2 3.75Å; R645-Y649 WeakPolarHBondContact O-CD2 3.28Å; R645-Y649 PolarHBondContact O-N 2.88Å
646H95.1Very high93.7Very high6 Ų646.9 Ų46.93%0.02828%0.276CS..Hα-helixtrans-58.4-41.6173.6-179.967.3000112L626 C642 L643 T648 Y649 L650L626-H646 VanDerWaalsContact C-ND1 3.33Å; L626-H646 WeakPolarHBondContact O-CB 3.43Å; L626-H646 PolarHBondContact O-ND1 2.93Å; C642-H646 PolarHBondContact O-N 3.32Å; L643-H646 WeakPolarHBondContact O-CB 3.26Å; L643-H646 PolarHBondContact O-N 2.93Å; H646-T648 VanDerWaalsContact C-N 3.32Å; H646-T648 PolarHBondContact O-N 3.35Å; H646-Y649 WeakPolarHBondContact O-CB 3.47Å; H646-Y649 PolarHBondContact O-N 2.88Å; H646-L650 WeakPolarHBondContact O-CG 3.43Å; H646-L650 PolarHBondContact O-N 3.27Å
647N94Very high92.7Very high45 Ų4551.3 Ų51.324%0.24129%0.289CS..Hα-helixtrans-64-36.9175.9-70.2-13.6000112.4L643 A644 R645 L650 Q651 P659L643-N647 PolarHBondContact O-N 2.69Å; A644-N647 WeakPolarHBondContact O-CB 3.32Å; A644-N647 PolarHBondContact O-N 3.44Å; R645-N647 VanDerWaalsContact C-N 3.28Å; R645-N647 PolarHBondContact O-N 3.47Å; N647-L650 PolarHBondContact O-N 2.89Å; N647-Q651 PolarHBondContact O-N 3.29Å; N647-P659 HydrophobicContact CB-CG 4.02Å
648T94.2Very high91.9Very high63 Ų6354.4 Ų54.439%0.38729%0.294SS..Hα-helixtrans-60.2-46.4171.3-53.20000111.1A644 R645 H646 L650 Q651 E652A644-T648 PolarHBondContact O-N 2.98Å; A644-T648 VanDerWaalsContact O-N 3.08Å; A644-T648 PolarHBondContact O-OG1 2.91Å; R645-T648 WeakPolarHBondContact O-CB 3.48Å; R645-T648 PolarHBondContact O-N 3.12Å; R645-T648 VanDerWaalsContact O-N 3.17Å; H646-T648 VanDerWaalsContact C-N 3.32Å; H646-T648 PolarHBondContact O-N 3.35Å; T648-L650 VanDerWaalsContact C-N 3.33Å; T648-L650 PolarHBondContact O-N 2.97Å; T648-Q651 WeakPolarHBondContact O-CB 3.39Å; T648-Q651 PolarHBondContact O-N 3.42Å; T648-Q651 VanDerWaalsContact O-N 3.11Å; T648-E652 HydrophobicContact CG2-CG 4.47Å; T648-E652 WeakPolarHBondContact O-CG 3.36Å; T648-E652 PolarHBondContact O-N 3.25Å
649Y94.4Very high91.4Very high16 Ų1654 Ų546%0.06329%0.288CS..Hα-helixtrans-59.8-42.3176-58.5-38.4000112.3E610 W611 L626 R645 H646 Q651 E652 C653E610-Y649 PolarHBondContact OE1-OH 2.77Å; W611-Y649 HydrophobicContact CH2-CD1 4.44Å; W611-Y649 HydrophobicContact CH2-CD2 4.02Å; W611-Y649 HydrophobicContact CH2-CE1 4.25Å; W611-Y649 AromaticContact CH2-CE2 3.85Å; W611-Y649 HydrophobicContact CH2-CE2 3.85Å; W611-Y649 HydrophobicContact CH2-CG 4.3Å; W611-Y649 AromaticContact CH2-CZ 3.94Å; W611-Y649 AromaticContact CZ2-CD1 3.62Å; W611-Y649 HydrophobicContact CZ2-CD1 3.62Å; W611-Y649 AromaticContact CZ2-CD2 3.96Å; W611-Y649 HydrophobicContact CZ2-CD2 3.96Å; W611-Y649 AromaticContact CZ2-CE1 3.61Å; W611-Y649 HydrophobicContact CZ2-CE1 3.61Å; W611-Y649 AromaticContact CZ2-CE2 3.99Å; W611-Y649 HydrophobicContact CZ2-CE2 3.99Å; W611-Y649 AromaticContact CZ2-CG 3.77Å; W611-Y649 HydrophobicContact CZ2-CG 3.77Å; W611-Y649 AromaticContact CZ2-CZ 3.78Å; L626-Y649 HydrophobicContact CB-CE2 4.16Å; R645-Y649 WeakPolarHBondContact CD-OH 3.29Å; R645-Y649 HydrophobicContact CG-CD2 4.43Å; R645-Y649 HydrophobicContact CG-CE1 4.17Å; R645-Y649 HydrophobicContact CG-CE2 3.75Å; R645-Y649 WeakPolarHBondContact O-CD2 3.28Å; R645-Y649 PolarHBondContact O-N 2.88Å; H646-Y649 WeakPolarHBondContact O-CB 3.47Å; H646-Y649 PolarHBondContact O-N 2.88Å; Y649-Q651 VanDerWaalsContact C-N 3.33Å; Y649-Q651 PolarHBondContact O-N 3.44Å; Y649-E652 PolarHBondContact O-N 3.16Å; Y649-C653 PolarHBondContact O-N 2.8Å; Y649-C653 PolarHBondContact O-SG 2.82Å
650L94.3Very high91.2Very high2 Ų256.3 Ų56.31%0.0130%0.303CS..Hα-helixtrans-60-42.9174.4-70.1175.5000111.7T566 H646 N647 T648 T654 P659T566-L650 HydrophobicContact CG2-CD2 3.6Å; H646-L650 WeakPolarHBondContact O-CG 3.43Å; H646-L650 PolarHBondContact O-N 3.27Å; N647-L650 PolarHBondContact O-N 2.89Å; T648-L650 VanDerWaalsContact C-N 3.33Å; T648-L650 PolarHBondContact O-N 2.97Å; L650-T654 WeakPolarHBondContact O-CB 3.32Å; L650-T654 WeakPolarHBondContact O-CG2 3.21Å; L650-T654 PolarHBondContact O-N 3.15Å; L650-T654 VanDerWaalsContact O-N 3.07Å; L650-T654 PolarHBondContact O-OG1 3.46Å; L650-P659 HydrophobicContact CB-CB 4.45Å; L650-P659 HydrophobicContact CB-CG 3.88Å; L650-P659 HydrophobicContact CD1-CB 3.83Å; L650-P659 HydrophobicContact CD1-CG 4.12Å
651Q93.4Very high91.1Very high87 Ų8755.3 Ų55.341%0.40729%0.292SS..Hα-helixtrans-63.6-46177.8-179.1177.1400111.5N647 T648 Y649 G655 Q656N647-Q651 PolarHBondContact O-N 3.29Å; T648-Q651 WeakPolarHBondContact O-CB 3.39Å; T648-Q651 PolarHBondContact O-N 3.42Å; T648-Q651 VanDerWaalsContact O-N 3.11Å; Y649-Q651 VanDerWaalsContact C-N 3.33Å; Y649-Q651 PolarHBondContact O-N 3.44Å; Q651-G655 VanDerWaalsContact O-CA 3.25Å; Q651-G655 WeakPolarHBondContact O-CA 3.45Å; Q651-G655 PolarHBondContact O-N 3.28Å; Q651-Q656 WeakPolarHBondContact CA-O 3.42Å
652E91.5Very high91.1Very high130 Ų13053.6 Ų53.661%0.60728%0.278SS*.Hα-helixtrans-61.1-47.7178.8-72.1169.9176.600112T648 Y649T648-E652 HydrophobicContact CG2-CG 4.47Å; T648-E652 WeakPolarHBondContact O-CG 3.36Å; T648-E652 PolarHBondContact O-N 3.25Å; Y649-E652 PolarHBondContact O-N 3.16Å
653C91.5Very high91.1Very high42 Ų4254 Ų5428%0.28428%0.279SS..Hα-helixtrans-83-15.5-174.9680000114.9N624 Y649N624-C653 HydrophobicContact CB-CB 4.35Å; N624-C653 WeakPolarHBondContact ND2-CB 3.15Å; Y649-C653 PolarHBondContact O-N 2.8Å; Y649-C653 PolarHBondContact O-SG 2.82Å
654T92.8Very high91.2Very high6 Ų653.9 Ų53.94%0.03728%0.279CS..Hα-helixtrans-121.1-13.7-176.172.60000114.5T566 R568 L650 Q656T566-T654 HydrophobicContact CG2-CG2 3.81Å; R568-T654 WeakPolarHBondContact CD-O 3.16Å; L650-T654 WeakPolarHBondContact O-CB 3.32Å; L650-T654 WeakPolarHBondContact O-CG2 3.21Å; L650-T654 PolarHBondContact O-N 3.15Å; L650-T654 VanDerWaalsContact O-N 3.07Å; L650-T654 PolarHBondContact O-OG1 3.46Å; T654-Q656 PolarHBondContact O-N 3.01Å; T654-Q656 WeakPolarHBondContact OG1-CB 3.26Å; T654-Q656 VanDerWaalsContact OG1-CG 3.31Å; T654-Q656 WeakPolarHBondContact OG1-CG 3.39Å; T654-Q656 PolarHBondContact OG1-N 2.97Å
655G87.9Confident91.4Very high51 Ų5151.3 Ų51.353%0.52626%0.257SS..  trans68.510.4-171.900000114.1Q651 R657Q651-G655 VanDerWaalsContact O-CA 3.25Å; Q651-G655 WeakPolarHBondContact O-CA 3.45Å; Q651-G655 PolarHBondContact O-N 3.28Å; G655-R657 PolarHBondContact O-N 2.64Å
656Q85.4Confident91.6Very high32 Ų3247.4 Ų47.415%0.1524%0.243CC..  trans-82.5109.4178.5-65-68-9.100110.2Q582 Y584 Q651 T654 E658Q582-Q656 PolarHBondContact O-NE2 3.1Å; Y584-Q656 HydrophobicContact CD1-CG 4.29Å; Q651-Q656 WeakPolarHBondContact CA-O 3.42Å; T654-Q656 PolarHBondContact O-N 3.01Å; T654-Q656 WeakPolarHBondContact OG1-CB 3.26Å; T654-Q656 VanDerWaalsContact OG1-CG 3.31Å; T654-Q656 WeakPolarHBondContact OG1-CG 3.39Å; T654-Q656 PolarHBondContact OG1-N 2.97Å; Q656-E658 VanDerWaalsContact C-N 3.29Å; Q656-E658 PolarHBondContact O-N 3.01Å
657R74.7Confident91.7Very high192 Ų19247.2 Ų47.273%0.72524%0.242SC*.SBendtrans-58.7-35.1-173.2-67.5-174.7178.9-165.5-3.5114G655G655-R657 PolarHBondContact O-N 2.64Å
658E79.4Confident91.9Very high152 Ų15245 Ų4571%0.7123%0.23SC*.  trans-136.4102.1-178.5-69.9-174.1171.800111.6Q656 T660Q656-E658 VanDerWaalsContact C-N 3.29Å; Q656-E658 PolarHBondContact O-N 3.01Å; E658-T660 PolarHBondContact O-N 2.61Å
659P83.1Confident92.1Very high23 Ų2342.1 Ų42.115%0.14921%0.212CC..  trans-68.996.7171.9-18.532.3000111.1Y584 N647 L650Y584-P659 HydrophobicContact CE1-CB 4.24Å; N647-P659 HydrophobicContact CB-CG 4.02Å; L650-P659 HydrophobicContact CB-CB 4.45Å; L650-P659 HydrophobicContact CB-CG 3.88Å; L650-P659 HydrophobicContact CD1-CB 3.83Å; L650-P659 HydrophobicContact CD1-CG 4.12Å
660T91.9Very high92.3Very high51 Ų5142.8 Ų42.831%0.31322%0.217SC..  trans-84.8163.8178.568.50000112.4E658 Q662 L663 N664E658-T660 PolarHBondContact O-N 2.61Å; T660-Q662 VanDerWaalsContact CB-OE1 3.28Å; T660-Q662 PolarHBondContact O-N 3.07Å; T660-Q662 PolarHBondContact OG1-OE1 3.28Å; T660-L663 PolarHBondContact O-N 3.01Å; T660-L663 PolarHBondContact OG1-N 2.88Å; T660-N664 PolarHBondContact O-N 2.86Å; T660-N664 PolarHBondContact O-ND2 3.41Å
661Y94.3Very high92.5Very high11 Ų1142.7 Ų42.74%0.04322%0.216CC..Hα-helixtrans-64.6-27.8173.873.4-99.5000112.1N664 I665 V704 V707 L708 A713 R716 E717Y661-N664 PolarHBondContact O-N 3.13Å; Y661-I665 HydrophobicContact CD2-CD1 3.95Å; Y661-I665 HydrophobicContact CE2-CD1 4.32Å; Y661-I665 WeakPolarHBondContact O-CG1 3.49Å; Y661-I665 PolarHBondContact O-N 3.37Å; Y661-V704 HydrophobicContact CD2-CG1 4.48Å; Y661-V707 HydrophobicContact CD1-CG1 3.88Å; Y661-V707 HydrophobicContact CG-CG1 4.39Å; Y661-L708 HydrophobicContact CD1-CD2 4.36Å; Y661-L708 HydrophobicContact CD2-CD2 3.73Å; Y661-L708 HydrophobicContact CD2-CG 4.14Å; Y661-L708 HydrophobicContact CE1-CD2 4.12Å; Y661-L708 HydrophobicContact CE2-CD2 3.48Å; Y661-L708 VanDerWaalsContact CE2-CD2 3.48Å; Y661-L708 HydrophobicContact CE2-CG 4.37Å; Y661-L708 HydrophobicContact CG-CD2 4.17Å; Y661-L708 HydrophobicContact CG-CG 4.4Å; Y661-A713 HydrophobicContact CE1-CB 4.21Å; Y661-R716 PolarHBondContact OH-NH2 2.93Å; Y661-E717 HydrophobicContact CE2-CG 4.14Å; Y661-E717 PolarHBondContact OH-OE1 3.16Å
662Q96.1Very high92.7Very high52 Ų5238.6 Ų38.624%0.24320%0.197CC..Hα-helixtrans-64.9-40.4174.4-64.389.7-24.500111.4T660 N664 I665 H666 Y744T660-Q662 VanDerWaalsContact CB-OE1 3.28Å; T660-Q662 PolarHBondContact O-N 3.07Å; T660-Q662 PolarHBondContact OG1-OE1 3.28Å; Q662-N664 VanDerWaalsContact C-N 3.32Å; Q662-N664 PolarHBondContact O-N 3.38Å; Q662-I665 WeakPolarHBondContact O-CB 3.39Å; Q662-I665 PolarHBondContact O-N 3.47Å; Q662-H666 PolarHBondContact O-CD2 3.32Å; Q662-H666 PolarHBondContact O-N 2.98Å; Q662-Y744 WeakPolarHBondContact CG-OH 3.29Å
663L96.4Very high93Very high21 Ų2133.2 Ų33.211%0.1117%0.172CC..Hα-helixtrans-64.1-37.8174-69.1177.8000111.6L571 Y584 T660 I665 H666 D667L571-L663 HydrophobicContact CD1-CD2 3.88Å; L571-L663 HydrophobicContact CD2-CD2 4.15Å; Y584-L663 HydrophobicContact CD1-CD1 4.49Å; Y584-L663 HydrophobicContact CE1-CB 3.7Å; Y584-L663 HydrophobicContact CE1-CD1 3.8Å; Y584-L663 HydrophobicContact CE1-CG 4.34Å; Y584-L663 HydrophobicContact CE2-CB 4.46Å; Y584-L663 WeakPolarHBondContact OH-CB 3.35Å; T660-L663 PolarHBondContact O-N 3.01Å; T660-L663 PolarHBondContact OG1-N 2.88Å; L663-I665 PolarHBondContact O-N 3.39Å; L663-H666 CarbonylContact O-C 3.55Å; L663-H666 WeakPolarHBondContact O-CB 3.31Å; L663-H666 PolarHBondContact O-N 3.37Å; L663-D667 PolarHBondContact O-N 3.26Å
664N96.7Very high93.2Very high7 Ų732.3 Ų32.34%0.03716%0.163CC..Hα-helixtrans-66.4-33.3173.2-75.3-48.6000113.1Y584 T660 Y661 Q662 H666 D667 I668 I700 V704Y584-N664 PolarHBondContact OH-OD1 2.95Å; T660-N664 PolarHBondContact O-N 2.86Å; T660-N664 PolarHBondContact O-ND2 3.41Å; Y661-N664 PolarHBondContact O-N 3.13Å; Q662-N664 VanDerWaalsContact C-N 3.32Å; Q662-N664 PolarHBondContact O-N 3.38Å; N664-H666 VanDerWaalsContact C-N 3.35Å; N664-D667 WeakPolarHBondContact O-CB 3.4Å; N664-D667 PolarHBondContact O-N 2.95Å; N664-I668 WeakPolarHBondContact O-CG1 3.28Å; N664-I668 PolarHBondContact O-N 2.97Å; N664-I668 VanDerWaalsContact O-N 3.09Å; N664-I700 HydrophobicContact CB-CG2 4.35Å; N664-V704 HydrophobicContact CB-CG2 3.45Å; N664-V704 VanDerWaalsContact CB-CG2 3.45Å
665I98.2Very high93.4Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-64.9-41.7170.8-67.3166.5000110.2Y661 Q662 L663 D667 I668 K669 V704 Y744 V747 L748Y661-I665 HydrophobicContact CD2-CD1 3.95Å; Y661-I665 HydrophobicContact CE2-CD1 4.32Å; Y661-I665 WeakPolarHBondContact O-CG1 3.49Å; Y661-I665 PolarHBondContact O-N 3.37Å; Q662-I665 WeakPolarHBondContact O-CB 3.39Å; Q662-I665 PolarHBondContact O-N 3.47Å; L663-I665 PolarHBondContact O-N 3.39Å; I665-D667 VanDerWaalsContact C-N 3.31Å; I665-D667 PolarHBondContact O-N 3.31Å; I665-I668 PolarHBondContact O-N 2.94Å; I665-K669 WeakPolarHBondContact O-CB 3.42Å; I665-K669 PolarHBondContact O-N 3.11Å; I665-V704 HydrophobicContact CD1-CG1 4.11Å; I665-V704 HydrophobicContact CG1-CG1 3.86Å; I665-V704 HydrophobicContact CG1-CG2 4.21Å; I665-Y744 HydrophobicContact CB-CD2 4.28Å; I665-Y744 HydrophobicContact CB-CE2 3.74Å; I665-Y744 HydrophobicContact CD1-CE2 4.41Å; I665-Y744 HydrophobicContact CG2-CD2 3.52Å; I665-Y744 HydrophobicContact CG2-CE2 3.36Å; I665-Y744 HydrophobicContact CG2-CG 4.36Å; I665-V747 HydrophobicContact CG2-CB 4.06Å; I665-V747 HydrophobicContact CG2-CG1 3.88Å; I665-L748 HydrophobicContact CD1-CD1 3.53Å; I665-L748 HydrophobicContact CG2-CB 4.48Å
666H98.1Very high93.9Very high6 Ų629.8 Ų29.83%0.02814%0.138CC..Hα-helixtrans-65.3-33.7172.4-75.4-52.4000113.4L571 Q662 L663 N664 K669 L670 V739 D740 Y744L571-H666 HydrophobicContact CD2-CB 3.57Å; Q662-H666 PolarHBondContact O-CD2 3.32Å; Q662-H666 PolarHBondContact O-N 2.98Å; L663-H666 CarbonylContact O-C 3.55Å; L663-H666 WeakPolarHBondContact O-CB 3.31Å; L663-H666 PolarHBondContact O-N 3.37Å; N664-H666 VanDerWaalsContact C-N 3.35Å; H666-K669 WeakPolarHBondContact ND1-CE 3.18Å; H666-K669 PolarHBondContact ND1-NZ 3.37Å; H666-K669 VanDerWaalsContact O-CB 3.3Å; H666-K669 WeakPolarHBondContact O-CB 3.34Å; H666-K669 PolarHBondContact O-N 3.47Å; H666-L670 WeakPolarHBondContact O-CB 3.48Å; H666-L670 VanDerWaalsContact O-CG 3.29Å; H666-L670 WeakPolarHBondContact O-CG 3.25Å; H666-L670 PolarHBondContact O-N 2.84Å; H666-V739 PolarHBondContact CE1-O 3.14Å; H666-V739 VanDerWaalsContact CE1-O 3.29Å; H666-D740 IonicContact CE1-OD1 2.73Å; H666-D740 PolarHBondContact CE1-OD1 3.41Å; H666-D740 IonicContact NE2-OD1 2.95Å; H666-D740 PolarHBondContact NE2-OD1 2.84Å; H666-Y744 AromaticContact CE1-CD2 3.28Å; H666-Y744 WeakPolarHBondContact CE1-CD2 3.4Å; H666-Y744 AromaticContact CE1-CE2 3.93Å; H666-Y744 AromaticContact CE1-CG 3.91Å; H666-Y744 AromaticContact ND1-CD2 3.45Å; H666-Y744 WeakPolarHBondContact ND1-CD2 3.42Å; H666-Y744 AromaticContact NE2-CD2 3.84Å
667D97.9Very high94.3Very high2 Ų232.7 Ų32.71%0.01115%0.153CC..Hα-helixtrans-62-47.8176.4-166.23.8000110.3Y584 S585 T586 L663 N664 I665 K669 L670 L671Y584-D667 HydrophobicContact CD2-CB 4.19Å; Y584-D667 HydrophobicContact CE2-CB 4.03Å; S585-D667 VanDerWaalsContact CA-OD1 3.26Å; S585-D667 WeakPolarHBondContact CA-OD1 3.25Å; T586-D667 WeakPolarHBondContact CB-OD2 3.41Å; T586-D667 PolarHBondContact N-OD1 3.07Å; T586-D667 PolarHBondContact OG1-OD2 3.32Å; L663-D667 PolarHBondContact O-N 3.26Å; N664-D667 WeakPolarHBondContact O-CB 3.4Å; N664-D667 PolarHBondContact O-N 2.95Å; I665-D667 VanDerWaalsContact C-N 3.31Å; I665-D667 PolarHBondContact O-N 3.31Å; D667-K669 VanDerWaalsContact C-N 3.32Å; D667-K669 PolarHBondContact O-N 3.3Å; D667-L670 PolarHBondContact O-N 3.45Å; D667-L671 WeakPolarHBondContact O-CB 3.47Å; D667-L671 PolarHBondContact O-N 3.17Å
668I98.4Very high95.1Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-59.4-42.6172.7-61.3163.6000111N664 I665 L670 L671 F672 I700 I701 V747N664-I668 WeakPolarHBondContact O-CG1 3.28Å; N664-I668 PolarHBondContact O-N 2.97Å; N664-I668 VanDerWaalsContact O-N 3.09Å; I665-I668 PolarHBondContact O-N 2.94Å; I668-L670 PolarHBondContact O-N 3.24Å; I668-L671 PolarHBondContact O-N 2.93Å; I668-F672 HydrophobicContact CG2-CD1 4.17Å; I668-F672 HydrophobicContact CG2-CD2 4.36Å; I668-F672 HydrophobicContact CG2-CE1 3.74Å; I668-F672 HydrophobicContact CG2-CE2 3.96Å; I668-F672 HydrophobicContact CG2-CG 4.45Å; I668-F672 HydrophobicContact CG2-CZ 3.62Å; I668-F672 WeakPolarHBondContact O-CG 3.47Å; I668-F672 PolarHBondContact O-N 3.48Å; I668-I700 HydrophobicContact CD1-CB 4.28Å; I668-I700 HydrophobicContact CD1-CG2 3.83Å; I668-I700 HydrophobicContact CG1-CB 4.04Å; I668-I700 HydrophobicContact CG1-CG2 3.59Å; I668-I701 HydrophobicContact CD1-CG1 3.69Å; I668-V747 HydrophobicContact CB-CG1 3.75Å; I668-V747 HydrophobicContact CD1-CG1 4.39Å; I668-V747 HydrophobicContact CG2-CG1 3.54Å; I668-V747 HydrophobicContact CG2-CG2 4.46Å
669K98.4Very high95.7Very high1 Ų124.5 Ų24.50%0.00412%0.123CC..Hα-helixtrans-55.9-50.2174.9-178.3-167.473.6167.20111.2L571 I665 H666 D667 L671 F672 L673 V739 V747 F803L571-K669 WeakPolarHBondContact O-CE 3.46Å; L571-K669 PolarHBondContact O-NZ 3.26Å; I665-K669 WeakPolarHBondContact O-CB 3.42Å; I665-K669 PolarHBondContact O-N 3.11Å; H666-K669 WeakPolarHBondContact ND1-CE 3.18Å; H666-K669 PolarHBondContact ND1-NZ 3.37Å; H666-K669 VanDerWaalsContact O-CB 3.3Å; H666-K669 WeakPolarHBondContact O-CB 3.34Å; H666-K669 PolarHBondContact O-N 3.47Å; D667-K669 VanDerWaalsContact C-N 3.32Å; D667-K669 PolarHBondContact O-N 3.3Å; K669-L671 VanDerWaalsContact C-N 3.32Å; K669-L671 PolarHBondContact O-N 3.36Å; K669-F672 PolarHBondContact O-N 3.44Å; K669-L673 HydrophobicContact CG-CD1 4.24Å; K669-L673 WeakPolarHBondContact O-CG 3.31Å; K669-L673 PolarHBondContact O-N 2.93Å; K669-V739 PolarHBondContact NZ-O 3.3Å; K669-V747 HydrophobicContact CB-CG2 4.15Å; K669-F803 HydrophobicContact CG-CE2 4.18Å; K669-F803 HydrophobicContact CG-CZ 4.17Å; K669-F803 WeakPolarHBondContact O-CE2 3.38Å
670L98Very high95.9Very high31 Ų3126.2 Ų26.216%0.16214%0.135CC..Hα-helixtrans-66.3-37.1-179.4-69.6168.9000111.4V569 H666 D667 I668 L673 R674V569-L670 HydrophobicContact CG2-CD1 3.62Å; H666-L670 WeakPolarHBondContact O-CB 3.48Å; H666-L670 VanDerWaalsContact O-CG 3.29Å; H666-L670 WeakPolarHBondContact O-CG 3.25Å; H666-L670 PolarHBondContact O-N 2.84Å; D667-L670 PolarHBondContact O-N 3.45Å; I668-L670 PolarHBondContact O-N 3.24Å; L670-L673 HydrophobicContact CD2-CD1 4.5Å; L670-L673 PolarHBondContact O-N 2.61Å; L670-R674 WeakPolarHBondContact O-CB 3.41Å; L670-R674 PolarHBondContact O-N 2.94Å
671L97.6Very high95.7Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-64.2-45.4175.3-165.865.6000111.6V587 D667 I668 K669 L673 R674 F675 F681 N693 I697V587-L671 HydrophobicContact CG1-CD1 4.17Å; D667-L671 WeakPolarHBondContact O-CB 3.47Å; D667-L671 PolarHBondContact O-N 3.17Å; I668-L671 PolarHBondContact O-N 2.93Å; K669-L671 VanDerWaalsContact C-N 3.32Å; K669-L671 PolarHBondContact O-N 3.36Å; L671-L673 PolarHBondContact O-N 3.26Å; L671-R674 WeakPolarHBondContact O-CB 3.34Å; L671-R674 PolarHBondContact O-N 3.1Å; L671-F675 HydrophobicContact CG-CD2 4.46Å; L671-F675 HydrophobicContact CG-CE2 4.2Å; L671-F675 VanDerWaalsContact O-CD2 3.27Å; L671-F675 WeakPolarHBondContact O-CD2 3.39Å; L671-F675 PolarHBondContact O-N 2.87Å; L671-F681 HydrophobicContact CD1-CD1 4.04Å; L671-F681 HydrophobicContact CD1-CE1 3.63Å; L671-F681 HydrophobicContact CG-CE1 4.42Å; L671-N693 HydrophobicContact CD1-CB 4.29Å; L671-I697 HydrophobicContact CD2-CD1 4.02Å; L671-I697 HydrophobicContact CD2-CG1 3.56Å
672F98.4Very high95.3Very high0 Ų025.9 Ų25.90%014%0.136CC..Hα-helixtrans-63.8-38.8174.9-74.55.8000112.4I668 K669 R674 F675 A676 I697 V747 L750 F803 L806 V807 I810I668-F672 HydrophobicContact CG2-CD1 4.17Å; I668-F672 HydrophobicContact CG2-CD2 4.36Å; I668-F672 HydrophobicContact CG2-CE1 3.74Å; I668-F672 HydrophobicContact CG2-CE2 3.96Å; I668-F672 HydrophobicContact CG2-CG 4.45Å; I668-F672 HydrophobicContact CG2-CZ 3.62Å; I668-F672 WeakPolarHBondContact O-CG 3.47Å; I668-F672 PolarHBondContact O-N 3.48Å; K669-F672 PolarHBondContact O-N 3.44Å; F672-R674 VanDerWaalsContact C-N 3.31Å; F672-R674 PolarHBondContact O-N 3.16Å; F672-F675 WeakPolarHBondContact O-CB 3.32Å; F672-F675 PolarHBondContact O-N 3.31Å; F672-A676 WeakPolarHBondContact O-CB 3.43Å; F672-A676 PolarHBondContact O-N 3.31Å; F672-I697 HydrophobicContact CD1-CD1 4Å; F672-I697 HydrophobicContact CE1-CD1 3.49Å; F672-I697 VanDerWaalsContact CE1-CD1 3.49Å; F672-I697 HydrophobicContact CE1-CG1 3.95Å; F672-I697 HydrophobicContact CE1-CG2 3.97Å; F672-I697 HydrophobicContact CZ-CG2 4.22Å; F672-V747 HydrophobicContact CD2-CG2 4.12Å; F672-V747 HydrophobicContact CE2-CG2 4.3Å; F672-L750 HydrophobicContact CE2-CD1 4.01Å; F672-L750 HydrophobicContact CZ-CD1 4.2Å; F672-F803 HydrophobicContact CB-CD2 3.54Å; F672-F803 HydrophobicContact CB-CE2 3.41Å; F672-F803 VanDerWaalsContact CB-CE2 3.41Å; F672-F803 HydrophobicContact CB-CG 4.44Å; F672-F803 HydrophobicContact CB-CZ 4.2Å; F672-F803 HydrophobicContact CD2-CE2 4.2Å; F672-F803 HydrophobicContact CD2-CZ 4.16Å; F672-F803 HydrophobicContact CG-CE2 4.33Å; F672-L806 HydrophobicContact CB-CD1 4.11Å; F672-L806 HydrophobicContact CD2-CB 4.32Å; F672-L806 HydrophobicContact CG-CB 4.31Å; F672-L806 HydrophobicContact CG-CD1 4.31Å; F672-V807 HydrophobicContact CD2-CG2 3.73Å; F672-V807 HydrophobicContact CE2-CB 4.48Å; F672-V807 HydrophobicContact CE2-CG2 3.57Å; F672-I810 HydrophobicContact CE1-CG1 4.41Å; F672-I810 HydrophobicContact CZ-CG1 3.84Å
673L97.7Very high94.7Very high17 Ų1727.1 Ų27.19%0.08916%0.155CC..Hα-helixtrans-62.4-39.8172.9-73.3169000111.2K669 L670 L671 F675 A676 M677 Y743 F803K669-L673 HydrophobicContact CG-CD1 4.24Å; K669-L673 WeakPolarHBondContact O-CG 3.31Å; K669-L673 PolarHBondContact O-N 2.93Å; L670-L673 HydrophobicContact CD2-CD1 4.5Å; L670-L673 PolarHBondContact O-N 2.61Å; L671-L673 PolarHBondContact O-N 3.26Å; L673-F675 VanDerWaalsContact C-N 3.35Å; L673-F675 PolarHBondContact O-N 2.98Å; L673-A676 PolarHBondContact O-N 2.94Å; L673-M677 HydrophobicContact CD2-CE 4.18Å; L673-M677 VanDerWaalsContact O-CB 3.3Å; L673-M677 WeakPolarHBondContact O-CB 3.46Å; L673-M677 VanDerWaalsContact O-CG 3.32Å; L673-M677 WeakPolarHBondContact O-CG 3.25Å; L673-M677 PolarHBondContact O-N 3.46Å; L673-Y743 HydrophobicContact CD2-CD1 3.99Å; L673-Y743 HydrophobicContact CD2-CE1 3.72Å; L673-F803 HydrophobicContact CD2-CD2 3.8Å; L673-F803 HydrophobicContact CD2-CE2 4.22Å; L673-F803 HydrophobicContact CG-CD2 3.88Å; L673-F803 HydrophobicContact CG-CE2 3.91Å
674R96.5Very high93.7Very high23 Ų2328.4 Ų28.49%0.08716%0.162CC..Hα-helixtrans-60.8-41.9174.8-168.1174.5-91.9-152.3-7.6111.6L670 L671 F672 E678 Q679 S680 F681 D684L670-R674 WeakPolarHBondContact O-CB 3.41Å; L670-R674 PolarHBondContact O-N 2.94Å; L671-R674 WeakPolarHBondContact O-CB 3.34Å; L671-R674 PolarHBondContact O-N 3.1Å; F672-R674 VanDerWaalsContact C-N 3.31Å; F672-R674 PolarHBondContact O-N 3.16Å; R674-E678 PolarHBondContact O-N 3.32Å; R674-Q679 HydrophobicContact CG-CB 3.62Å; R674-Q679 PolarHBondContact O-N 2.86Å; R674-S680 PolarHBondContact NH1-O 3.22Å; R674-F681 HydrophobicContact CB-CE1 4.09Å; R674-F681 HydrophobicContact CB-CZ 4.08Å; R674-F681 HydrophobicContact CG-CD1 4.22Å; R674-F681 HydrophobicContact CG-CE1 3.83Å; R674-F681 HydrophobicContact CG-CE2 4.23Å; R674-F681 HydrophobicContact CG-CZ 3.83Å; R674-D684 IonicContact CZ-OD2 2.88Å; R674-D684 IonicContact NH1-OD2 2.78Å; R674-D684 IonicContact NH2-OD2 2.75Å; R674-D684 PolarHBondContact NH2-OD2 3Å
675F97.1Very high92.9Very high0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-61.7-49.7171.6-85-84000111.9L671 F672 L673 M677 E678 F681 R690 N693 I694 I697 L806 L849 F852L671-F675 HydrophobicContact CG-CD2 4.46Å; L671-F675 HydrophobicContact CG-CE2 4.2Å; L671-F675 VanDerWaalsContact O-CD2 3.27Å; L671-F675 WeakPolarHBondContact O-CD2 3.39Å; L671-F675 PolarHBondContact O-N 2.87Å; F672-F675 WeakPolarHBondContact O-CB 3.32Å; F672-F675 PolarHBondContact O-N 3.31Å; L673-F675 VanDerWaalsContact C-N 3.35Å; L673-F675 PolarHBondContact O-N 2.98Å; F675-M677 PolarHBondContact O-N 2.84Å; F675-E678 PolarHBondContact O-N 3.46Å; F675-F681 HydrophobicContact CB-CZ 4.27Å; F675-F681 HydrophobicContact CD1-CE2 4.32Å; F675-F681 AromaticContact CD1-CZ 3.88Å; F675-F681 HydrophobicContact CD1-CZ 3.88Å; F675-F681 AromaticContact CD2-CE1 3.89Å; F675-F681 HydrophobicContact CD2-CE1 3.89Å; F675-F681 AromaticContact CD2-CZ 3.51Å; F675-F681 HydrophobicContact CD2-CZ 3.51Å; F675-F681 HydrophobicContact CE1-CE2 4.45Å; F675-F681 HydrophobicContact CE1-CZ 4.05Å; F675-F681 AromaticContact CE2-CE1 3.72Å; F675-F681 HydrophobicContact CE2-CE1 3.72Å; F675-F681 AromaticContact CE2-CZ 3.66Å; F675-F681 HydrophobicContact CE2-CZ 3.66Å; F675-F681 HydrophobicContact CG-CE1 4.42Å; F675-F681 HydrophobicContact CG-CE2 4.39Å; F675-F681 AromaticContact CG-CZ 3.59Å; F675-F681 HydrophobicContact CG-CZ 3.59Å; F675-F681 HydrophobicContact CZ-CE1 4.17Å; F675-F681 AromaticContact CZ-CZ 3.92Å; F675-F681 HydrophobicContact CZ-CZ 3.92Å; F675-R690 HydrophobicContact CD1-CB 4.45Å; F675-R690 HydrophobicContact CD1-CG 4.08Å; F675-R690 HydrophobicContact CE1-CB 3.73Å; F675-R690 HydrophobicContact CE1-CG 3.82Å; F675-R690 HydrophobicContact CZ-CB 4.47Å; F675-R690 WeakPolarHBondContact CZ-O 3.5Å; F675-N693 HydrophobicContact CE2-CB 4.18Å; F675-N693 HydrophobicContact CZ-CB 4.07Å; F675-I694 HydrophobicContact CZ-CB 4.19Å; F675-I694 HydrophobicContact CZ-CD1 4.22Å; F675-I697 HydrophobicContact CE2-CD1 3.99Å; F675-L806 HydrophobicContact CB-CD1 3.42Å; F675-L806 VanDerWaalsContact CB-CD1 3.42Å; F675-L806 HydrophobicContact CB-CD2 4.44Å; F675-L806 HydrophobicContact CG-CD1 4.15Å; F675-L806 HydrophobicContact CG-CD2 4.46Å; F675-L849 HydrophobicContact CE1-CD1 4.07Å; F675-F852 HydrophobicContact CB-CE1 4.33Å; F675-F852 HydrophobicContact CB-CZ 4.38Å; F675-F852 HydrophobicContact CD1-CE1 4.27Å
676A96.8Very high91.6Very high4 Ų431.5 Ų31.53%0.03320%0.195CC..Hα-helixtrans-69.2-30.7-174.600000113.9F672 L673 E678 S799 L802 F803F672-A676 WeakPolarHBondContact O-CB 3.43Å; F672-A676 PolarHBondContact O-N 3.31Å; L673-A676 PolarHBondContact O-N 2.94Å; A676-E678 VanDerWaalsContact C-N 3.31Å; A676-S799 WeakPolarHBondContact CB-O 3.24Å; A676-L802 HydrophobicContact CB-CB 3.82Å; A676-F803 HydrophobicContact CB-CB 4.22Å
677M94.3Very high90.2Very high93 Ų9331.8 Ų31.846%0.45820%0.2SC..THydrogen-bonded Turntrans-90.95175.7-64.2-178.8178.100112.9L673 F675 Q679L673-M677 HydrophobicContact CD2-CE 4.18Å; L673-M677 VanDerWaalsContact O-CB 3.3Å; L673-M677 WeakPolarHBondContact O-CB 3.46Å; L673-M677 VanDerWaalsContact O-CG 3.32Å; L673-M677 WeakPolarHBondContact O-CG 3.25Å; L673-M677 PolarHBondContact O-N 3.46Å; F675-M677 PolarHBondContact O-N 2.84Å; M677-Q679 HydrophobicContact CB-CG 4.06Å; M677-Q679 PolarHBondContact O-N 3.33Å; M677-Q679 VanDerWaalsContact O-N 3.11Å
678E92.2Very high89.2Confident87 Ų8732 Ų3241%0.40720%0.203SC..THydrogen-bonded Turntrans56.626.6178.2-54.6-173.2-139.800114.5R674 F675 A676 R690 R798 M857R674-E678 PolarHBondContact O-N 3.32Å; F675-E678 PolarHBondContact O-N 3.46Å; A676-E678 VanDerWaalsContact C-N 3.31Å; E678-R690 PolarHBondContact O-NH2 2.9Å; E678-R798 IonicContact OE1-CZ 3.49Å; E678-R798 IonicContact OE1-NE 2.72Å; E678-R798 IonicContact OE1-NH2 3.85Å; E678-R798 PolarHBondContact OE1-NH2 3Å; E678-M857 HydrophobicContact CG-CE 3.72Å; E678-M857 VanDerWaalsContact OE2-CE 3.24Å; E678-M857 WeakPolarHBondContact OE2-CE 3.44Å
679Q91.6Very high88.5Confident86 Ų8633.8 Ų33.840%0.40222%0.22SC..  trans-69.9156.1179.1-74.4178.3-3.600111.6R674 M677R674-Q679 HydrophobicContact CG-CB 3.62Å; R674-Q679 PolarHBondContact O-N 2.86Å; M677-Q679 HydrophobicContact CB-CG 4.06Å; M677-Q679 PolarHBondContact O-N 3.33Å; M677-Q679 VanDerWaalsContact O-N 3.11Å
680S86.4Confident88.2Confident59 Ų5936.9 Ų36.941%0.41323%0.232SC..  trans-72.5136.9177.8-179.60000111.6R674 S682 A683R674-S680 PolarHBondContact NH1-O 3.22Å; S680-S682 PolarHBondContact OG-N 2.92Å; S680-S682 PolarHBondContact OG-OG 3.39Å; S680-A683 PolarHBondContact OG-N 3.14Å
681F88.4Confident87.7Confident5 Ų540.8 Ų40.82%0.02225%0.249CC..SBendtrans-91.4-20.3172.6-65.8-94.9000112.5V587 L671 R674 F675 T685 G688 R690 N693V587-F681 HydrophobicContact CG1-CD1 4.11Å; L671-F681 HydrophobicContact CD1-CD1 4.04Å; L671-F681 HydrophobicContact CD1-CE1 3.63Å; L671-F681 HydrophobicContact CG-CE1 4.42Å; R674-F681 HydrophobicContact CB-CE1 4.09Å; R674-F681 HydrophobicContact CB-CZ 4.08Å; R674-F681 HydrophobicContact CG-CD1 4.22Å; R674-F681 HydrophobicContact CG-CE1 3.83Å; R674-F681 HydrophobicContact CG-CE2 4.23Å; R674-F681 HydrophobicContact CG-CZ 3.83Å; F675-F681 HydrophobicContact CB-CZ 4.27Å; F675-F681 HydrophobicContact CD1-CE2 4.32Å; F675-F681 AromaticContact CD1-CZ 3.88Å; F675-F681 HydrophobicContact CD1-CZ 3.88Å; F675-F681 AromaticContact CD2-CE1 3.89Å; F675-F681 HydrophobicContact CD2-CE1 3.89Å; F675-F681 AromaticContact CD2-CZ 3.51Å; F675-F681 HydrophobicContact CD2-CZ 3.51Å; F675-F681 HydrophobicContact CE1-CE2 4.45Å; F675-F681 HydrophobicContact CE1-CZ 4.05Å; F675-F681 AromaticContact CE2-CE1 3.72Å; F675-F681 HydrophobicContact CE2-CE1 3.72Å; F675-F681 AromaticContact CE2-CZ 3.66Å; F675-F681 HydrophobicContact CE2-CZ 3.66Å; F675-F681 HydrophobicContact CG-CE1 4.42Å; F675-F681 HydrophobicContact CG-CE2 4.39Å; F675-F681 AromaticContact CG-CZ 3.59Å; F675-F681 HydrophobicContact CG-CZ 3.59Å; F675-F681 HydrophobicContact CZ-CE1 4.17Å; F675-F681 AromaticContact CZ-CZ 3.92Å; F675-F681 HydrophobicContact CZ-CZ 3.92Å; F681-T685 PolarHBondContact O-OG1 3.15Å; F681-G688 CarbonylContact C-O 3.43Å; F681-G688 WeakPolarHBondContact CB-O 3.43Å; F681-R690 HydrophobicContact CD2-CG 3.88Å; F681-R690 HydrophobicContact CE2-CG 3.53Å; F681-R690 HydrophobicContact CZ-CG 4.41Å; F681-N693 WeakPolarHBondContact CB-ND2 3.35Å; F681-N693 HydrophobicContact CD1-CB 3.71Å; F681-N693 VanDerWaalsContact CD1-CG 3.48Å; F681-N693 HydrophobicContact CE1-CB 3.92Å; F681-N693 HydrophobicContact CG-CB 4.47Å
682S86.7Confident87.5Confident49 Ų4941.6 Ų41.634%0.34326%0.255SS..SBendtrans-98.2-7-176.858.60000114.2S680 D684 T685 G686S680-S682 PolarHBondContact OG-N 2.92Å; S680-S682 PolarHBondContact OG-OG 3.39Å; S682-D684 PolarHBondContact O-N 3.02Å; S682-T685 WeakPolarHBondContact CA-OG1 3.46Å; S682-T685 PolarHBondContact O-N 2.67Å; S682-G686 WeakPolarHBondContact O-CA 3.32Å; S682-G686 PolarHBondContact O-N 2.73Å
683A81.9Confident87.4Confident78 Ų7841.6 Ų41.665%0.64526%0.255SS*.THydrogen-bonded Turntrans-56.3-38.7-176.300000112.9S680S680-A683 PolarHBondContact OG-N 3.14Å
684D75.6Confident87.3Confident48 Ų4840.9 Ų40.926%0.25725%0.252SS..THydrogen-bonded Turntrans-88.9-31-177.7-57.4-58.9000112.2F565 K567 R674 S682F565-D684 HydrophobicContact CD1-CB 4.27Å; F565-D684 HydrophobicContact CE1-CB 3.86Å; K567-D684 WeakPolarHBondContact CE-OD2 3.43Å; K567-D684 IonicContact NZ-OD1 3.32Å; K567-D684 PolarHBondContact NZ-OD1 3.34Å; K567-D684 IonicContact NZ-OD2 2.72Å; K567-D684 PolarHBondContact NZ-OD2 3.42Å; R674-D684 IonicContact CZ-OD2 2.88Å; R674-D684 IonicContact NH1-OD2 2.78Å; R674-D684 IonicContact NH2-OD2 2.75Å; R674-D684 PolarHBondContact NH2-OD2 3Å; S682-D684 PolarHBondContact O-N 3.02Å
685T80.5Confident87.3Confident3 Ų340 Ų402%0.01825%0.249CC..THydrogen-bonded Turntrans-103-20-167.551.20000114.7F565 V587 T621 K622 F681 S682 G687F565-T685 HydrophobicContact CB-CG2 3.34Å; F565-T685 HydrophobicContact CD1-CG2 3.67Å; F565-T685 HydrophobicContact CD2-CG2 4.33Å; F565-T685 HydrophobicContact CG-CG2 3.52Å; V587-T685 HydrophobicContact CG2-CG2 3.5Å; V587-T685 VanDerWaalsContact CG2-CG2 3.5Å; T621-T685 WeakPolarHBondContact CG2-O 3.49Å; K622-T685 PolarHBondContact N-O 3.2Å; F681-T685 PolarHBondContact O-OG1 3.15Å; S682-T685 WeakPolarHBondContact CA-OG1 3.46Å; S682-T685 PolarHBondContact O-N 2.67Å; T685-G687 VanDerWaalsContact C-N 3.28Å; T685-G687 PolarHBondContact OG1-N 2.88Å; T685-G687 PolarHBondContact OG1-O 3.35Å
686G70.4Confident87.3Confident70 Ų7040 Ų4072%0.72225%0.249SC*.SBendtrans78.34.9-171.500000114.6S682S682-G686 WeakPolarHBondContact O-CA 3.32Å; S682-G686 PolarHBondContact O-N 2.73Å
687G70.4Confident87.3Confident12 Ų1239.9 Ų39.912%0.12425%0.247CC..  trans-177169.7-179.300000113.1T685T685-G687 VanDerWaalsContact C-N 3.28Å; T685-G687 PolarHBondContact OG1-N 2.88Å; T685-G687 PolarHBondContact OG1-O 3.35Å
688G76.3Confident87.5Confident7 Ų735.4 Ų35.47%0.07223%0.225CC..  trans89.797.3-179.900000113H589 F681 N693H589-G688 PolarHBondContact ND1-N 3.46Å; H589-G688 VanDerWaalsContact ND1-N 3.1Å; F681-G688 CarbonylContact C-O 3.43Å; F681-G688 WeakPolarHBondContact CB-O 3.43Å; G688-N693 PolarHBondContact O-ND2 3.26Å
689G84.4Confident87.7Confident36 Ų3631.6 Ų31.637%0.37121%0.207SC..  trans-89.8-165.9-175.500000114.1E691 S692 N693G689-E691 PolarHBondContact O-N 3.03Å; G689-S692 PolarHBondContact O-N 3.44Å; G689-N693 PolarHBondContact O-N 3.28Å; G689-N693 VanDerWaalsContact O-N 3.12Å; G689-N693 PolarHBondContact O-ND2 2.76Å
690R90.8Very high88Confident66 Ų6627.7 Ų27.725%0.24919%0.189CC..Hα-helixtrans-55.2-36.8173.4-75.6180-178.684.7-2.4112.3F675 E678 F681 N693 I694 L849F675-R690 HydrophobicContact CD1-CB 4.45Å; F675-R690 HydrophobicContact CD1-CG 4.08Å; F675-R690 HydrophobicContact CE1-CB 3.73Å; F675-R690 HydrophobicContact CE1-CG 3.82Å; F675-R690 HydrophobicContact CZ-CB 4.47Å; F675-R690 WeakPolarHBondContact CZ-O 3.5Å; E678-R690 PolarHBondContact O-NH2 2.9Å; F681-R690 HydrophobicContact CD2-CG 3.88Å; F681-R690 HydrophobicContact CE2-CG 3.53Å; F681-R690 HydrophobicContact CZ-CG 4.41Å; R690-N693 PolarHBondContact O-N 2.87Å; R690-I694 PolarHBondContact O-N 3.49Å; R690-L849 HydrophobicContact CB-CD1 3.99Å
691E88.6Confident88.6Confident113 Ų11324.9 Ų24.953%0.52817%0.169SC..Hα-helixtrans-62.5-51.9175.4-171.6179176.600112G689 N693 I694 H695 L849G689-E691 PolarHBondContact O-N 3.03Å; E691-N693 VanDerWaalsContact C-N 3.26Å; E691-N693 PolarHBondContact O-N 3.07Å; E691-I694 VanDerWaalsContact O-CG2 3.32Å; E691-I694 WeakPolarHBondContact O-CG2 3.43Å; E691-I694 PolarHBondContact O-N 3.43Å; E691-H695 PolarHBondContact O-ND1 3.28Å; E691-L849 HydrophobicContact CB-CD2 3.95Å; E691-L849 HydrophobicContact CG-CD2 4.41Å
692S92.1Very high89Confident18 Ų1824.8 Ų24.813%0.12617%0.169CC..Hα-helixtrans-58.3-40.6176.4-54.70000112.6S588 H589 F590 G689 H695 L696S588-S692 WeakPolarHBondContact O-CB 3.25Å; H589-S692 VanDerWaalsContact C-CB 3.43Å; H589-S692 WeakPolarHBondContact O-CB 3.43Å; H589-S692 PolarHBondContact O-OG 2.75Å; F590-S692 WeakPolarHBondContact CB-O 3.4Å; G689-S692 PolarHBondContact O-N 3.44Å; S692-H695 PolarHBondContact O-N 3.49Å; S692-L696 PolarHBondContact O-N 2.98Å
693N95.8Very high89.4Confident0 Ų022.6 Ų22.60%015%0.154CC..Hα-helixtrans-81.1-23.4-173.7-70.2-84.9000113.7V587 S588 L671 F675 F681 G688 G689 R690 E691 H695 L696V587-N693 VanDerWaalsContact CA-OD1 3.22Å; V587-N693 WeakPolarHBondContact CA-OD1 3.44Å; V587-N693 WeakPolarHBondContact CB-OD1 3.32Å; S588-N693 PolarHBondContact N-OD1 2.83Å; S588-N693 PolarHBondContact O-ND2 2.92Å; L671-N693 HydrophobicContact CD1-CB 4.29Å; F675-N693 HydrophobicContact CE2-CB 4.18Å; F675-N693 HydrophobicContact CZ-CB 4.07Å; F681-N693 WeakPolarHBondContact CB-ND2 3.35Å; F681-N693 HydrophobicContact CD1-CB 3.71Å; F681-N693 VanDerWaalsContact CD1-CG 3.48Å; F681-N693 HydrophobicContact CE1-CB 3.92Å; F681-N693 HydrophobicContact CG-CB 4.47Å; G688-N693 PolarHBondContact O-ND2 3.26Å; G689-N693 PolarHBondContact O-N 3.28Å; G689-N693 VanDerWaalsContact O-N 3.12Å; G689-N693 PolarHBondContact O-ND2 2.76Å; R690-N693 PolarHBondContact O-N 2.87Å; E691-N693 VanDerWaalsContact C-N 3.26Å; E691-N693 PolarHBondContact O-N 3.07Å; N693-H695 VanDerWaalsContact C-N 3.28Å; N693-L696 PolarHBondContact O-N 3.35Å
694I96.6Very high90.2Very high2 Ų218.9 Ų18.91%0.0112%0.123CC..Hα-helixtrans-67.5-34.3171.5-157.667.9000111.1F675 R690 E691 I697 A845 L849F675-I694 HydrophobicContact CZ-CB 4.19Å; F675-I694 HydrophobicContact CZ-CD1 4.22Å; R690-I694 PolarHBondContact O-N 3.49Å; E691-I694 VanDerWaalsContact O-CG2 3.32Å; E691-I694 WeakPolarHBondContact O-CG2 3.43Å; E691-I694 PolarHBondContact O-N 3.43Å; I694-I697 HydrophobicContact CD1-CD1 3.91Å; I694-A845 HydrophobicContact CG2-CB 4.18Å; I694-L849 HydrophobicContact CB-CB 4.33Å; I694-L849 HydrophobicContact CG1-CB 4.18Å; I694-L849 HydrophobicContact CG2-CB 3.96Å; I694-L849 HydrophobicContact CG2-CD2 4.16Å
695H95.9Very high91.2Very high5 Ų516.6 Ų16.62%0.02311%0.111CC..Hα-helixtrans-73.4-26.2177-66.9109.8000113F590 E691 S692 N693 P698 Y699 Y842 D846F590-H695 HydrophobicContact CD1-CB 3.56Å; F590-H695 HydrophobicContact CD2-CB 3.58Å; F590-H695 HydrophobicContact CE1-CB 3.54Å; F590-H695 HydrophobicContact CE2-CB 3.56Å; F590-H695 WeakPolarHBondContact CE2-O 3.28Å; F590-H695 HydrophobicContact CG-CB 3.6Å; F590-H695 HydrophobicContact CZ-CB 3.55Å; E691-H695 PolarHBondContact O-ND1 3.28Å; S692-H695 PolarHBondContact O-N 3.49Å; N693-H695 VanDerWaalsContact C-N 3.28Å; H695-P698 WeakPolarHBondContact O-CD 3.49Å; H695-Y699 WeakPolarHBondContact O-CD2 3.4Å; H695-Y699 VanDerWaalsContact O-CE2 3.23Å; H695-Y699 WeakPolarHBondContact O-CE2 3.33Å; H695-Y842 AromaticContact CD2-CD2 3.46Å; H695-Y842 VanDerWaalsContact CD2-CD2 3.46Å; H695-Y842 WeakPolarHBondContact CD2-CD2 3.46Å; H695-Y842 AromaticContact CD2-CE2 3.57Å; H695-Y842 AromaticContact CD2-CG 3.9Å; H695-Y842 AromaticContact CE1-CZ 3.96Å; H695-Y842 AromaticContact NE2-CD1 3.96Å; H695-Y842 AromaticContact NE2-CD2 3.78Å; H695-Y842 AromaticContact NE2-CE1 3.82Å; H695-Y842 AromaticContact NE2-CE2 3.63Å; H695-Y842 AromaticContact NE2-CG 3.93Å; H695-Y842 AromaticContact NE2-CZ 3.65Å; H695-D846 IonicContact CE1-OD1 3.36Å; H695-D846 PolarHBondContact CE1-OD1 2.82Å; H695-D846 IonicContact NE2-OD1 3.64Å; H695-D846 PolarHBondContact NE2-OD1 3.06Å
696L97.2Very high91.9Very high0 Ų018 Ų180%012%0.116CC..Hα-helixtrans-68.9-37.6177-179.665.5000112.8I562 T564 T586 F590 L627 S692 N693 Y699 I700I562-L696 HydrophobicContact CD1-CD1 4.45Å; I562-L696 HydrophobicContact CG2-CD1 3.97Å; T564-L696 HydrophobicContact CG2-CD1 4.12Å; T586-L696 HydrophobicContact CG2-CD2 4.3Å; F590-L696 HydrophobicContact CD2-CB 4.37Å; L627-L696 HydrophobicContact CD2-CD1 3.78Å; S692-L696 PolarHBondContact O-N 2.98Å; N693-L696 PolarHBondContact O-N 3.35Å; L696-Y699 PolarHBondContact O-N 2.72Å; L696-I700 HydrophobicContact CD1-CG1 4.4Å; L696-I700 HydrophobicContact CD2-CD1 3.91Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 HydrophobicContact CG-CG1 4.09Å; L696-I700 PolarHBondContact O-N 3.42Å
697I97.8Very high93.1Very high0 Ų016.3 Ų16.30%09%0.092CC..Hα-helixtrans-52.1-48.7-170.5-75.6155.9000114.1L671 F672 F675 I694 Y699 I700 I701 I810L671-I697 HydrophobicContact CD2-CD1 4.02Å; L671-I697 HydrophobicContact CD2-CG1 3.56Å; F672-I697 HydrophobicContact CD1-CD1 4Å; F672-I697 HydrophobicContact CE1-CD1 3.49Å; F672-I697 VanDerWaalsContact CE1-CD1 3.49Å; F672-I697 HydrophobicContact CE1-CG1 3.95Å; F672-I697 HydrophobicContact CE1-CG2 3.97Å; F672-I697 HydrophobicContact CZ-CG2 4.22Å; F675-I697 HydrophobicContact CE2-CD1 3.99Å; I694-I697 HydrophobicContact CD1-CD1 3.91Å; I697-Y699 PolarHBondContact O-N 2.96Å; I697-Y699 VanDerWaalsContact O-N 3.16Å; I697-I700 PolarHBondContact O-N 3.4Å; I697-I701 HydrophobicContact CG2-CD1 3.76Å; I697-I701 HydrophobicContact CG2-CG1 4.4Å; I697-I701 WeakPolarHBondContact O-CG1 3.5Å; I697-I701 PolarHBondContact O-N 3.18Å; I697-I810 HydrophobicContact CG2-CD1 4.04Å; I697-I810 HydrophobicContact CG2-CG1 4.35Å
698P97.4Very high94.2Very high0 Ų015.8 Ų15.80%09%0.086CC..Hα-helixtrans-56.6-31.9179-27.836.9000113.9H695 H702 M813 F814 I841H695-P698 WeakPolarHBondContact O-CD 3.49Å; P698-H702 WeakPolarHBondContact O-CB 3.44Å; P698-H702 PolarHBondContact O-N 2.86Å; P698-M813 HydrophobicContact CG-CE 4.2Å; P698-M813 HydrophobicContact CG-SD 3.69Å; P698-F814 HydrophobicContact CB-CZ 4.13Å; P698-F814 HydrophobicContact CG-CZ 4.4Å; P698-I841 HydrophobicContact CB-CG2 3.66Å; P698-I841 HydrophobicContact CG-CG2 3.56Å
699Y97.6Very high95Very high6 Ų617.3 Ų17.32%0.0249%0.092CC..Hα-helixtrans-82.8-30.5-177-56.2-78.6000112.2L543 I562 F590 V629 H695 L696 I697 H702 T703L543-Y699 HydrophobicContact CD1-CE1 3.97Å; L543-Y699 WeakPolarHBondContact CD1-OH 3.29Å; I562-Y699 HydrophobicContact CD1-CD1 4.23Å; I562-Y699 HydrophobicContact CD1-CD2 3.51Å; I562-Y699 HydrophobicContact CD1-CE2 4.2Å; I562-Y699 HydrophobicContact CD1-CG 3.54Å; F590-Y699 AromaticContact CE2-CD2 3.93Å; F590-Y699 HydrophobicContact CE2-CD2 3.93Å; F590-Y699 AromaticContact CE2-CE2 3.81Å; F590-Y699 HydrophobicContact CE2-CE2 3.81Å; F590-Y699 HydrophobicContact CZ-CD2 4.24Å; F590-Y699 AromaticContact CZ-CE2 3.64Å; F590-Y699 HydrophobicContact CZ-CE2 3.64Å; V629-Y699 HydrophobicContact CB-CD1 4.37Å; V629-Y699 HydrophobicContact CG1-CD1 3.8Å; V629-Y699 HydrophobicContact CG1-CE1 3.65Å; V629-Y699 HydrophobicContact CG2-CD1 3.83Å; V629-Y699 HydrophobicContact CG2-CE1 4.17Å; V629-Y699 HydrophobicContact CG2-CG 4.37Å; H695-Y699 WeakPolarHBondContact O-CD2 3.4Å; H695-Y699 VanDerWaalsContact O-CE2 3.23Å; H695-Y699 WeakPolarHBondContact O-CE2 3.33Å; L696-Y699 PolarHBondContact O-N 2.72Å; I697-Y699 PolarHBondContact O-N 2.96Å; I697-Y699 VanDerWaalsContact O-N 3.16Å; Y699-H702 PolarHBondContact O-N 2.99Å; Y699-T703 PolarHBondContact O-N 3.15Å; Y699-T703 VanDerWaalsContact O-N 3.13Å; Y699-T703 PolarHBondContact O-OG1 3.49Å
700I97.9Very high95.5Very high4 Ų418.9 Ų18.92%0.02110%0.095CC..Hα-helixtrans-66.9-42.6168-54.9176.2000109.9L627 N664 I668 L696 I697 H702 T703 V704L627-I700 HydrophobicContact CD2-CG1 4.08Å; N664-I700 HydrophobicContact CB-CG2 4.35Å; I668-I700 HydrophobicContact CD1-CB 4.28Å; I668-I700 HydrophobicContact CD1-CG2 3.83Å; I668-I700 HydrophobicContact CG1-CB 4.04Å; I668-I700 HydrophobicContact CG1-CG2 3.59Å; L696-I700 HydrophobicContact CD1-CG1 4.4Å; L696-I700 HydrophobicContact CD2-CD1 3.91Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 HydrophobicContact CG-CG1 4.09Å; L696-I700 PolarHBondContact O-N 3.42Å; I697-I700 PolarHBondContact O-N 3.4Å; I700-H702 VanDerWaalsContact C-N 3.27Å; I700-H702 PolarHBondContact O-N 2.79Å; I700-T703 WeakPolarHBondContact O-CB 3.48Å; I700-T703 PolarHBondContact O-N 2.79Å; I700-V704 PolarHBondContact O-N 2.86Å; I700-V704 VanDerWaalsContact O-N 3.09Å
701I98.1Very high95.5Very high0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-56.2-44.7172.9-69.9171.1000110.2I668 I697 T703 V704 L705 I810 F814 L830 I834I668-I701 HydrophobicContact CD1-CG1 3.69Å; I697-I701 HydrophobicContact CG2-CD1 3.76Å; I697-I701 HydrophobicContact CG2-CG1 4.4Å; I697-I701 WeakPolarHBondContact O-CG1 3.5Å; I697-I701 PolarHBondContact O-N 3.18Å; I701-T703 VanDerWaalsContact C-N 3.33Å; I701-T703 PolarHBondContact O-N 3.5Å; I701-V704 PolarHBondContact O-N 2.77Å; I701-L705 HydrophobicContact CG2-CD1 3.75Å; I701-L705 HydrophobicContact CG2-CG 4.21Å; I701-L705 VanDerWaalsContact O-CG 3.27Å; I701-L705 WeakPolarHBondContact O-CG 3.39Å; I701-L705 PolarHBondContact O-N 2.95Å; I701-I810 HydrophobicContact CD1-CG2 3.9Å; I701-F814 HydrophobicContact CD1-CE2 3.98Å; I701-F814 HydrophobicContact CD1-CZ 4.44Å; I701-L830 HydrophobicContact CG2-CD2 4.14Å; I701-I834 HydrophobicContact CG2-CD1 3.94Å
702H96.9Very high95.7Very high4 Ų424.9 Ų24.92%0.01912%0.122CC..Hα-helixtrans-60.5-41.2179.3-163-175.1000112.6W630 P698 Y699 I700 L705 Y706 A831 I834W630-H702 AromaticContact CE3-NE2 3.85Å; P698-H702 WeakPolarHBondContact O-CB 3.44Å; P698-H702 PolarHBondContact O-N 2.86Å; Y699-H702 PolarHBondContact O-N 2.99Å; I700-H702 VanDerWaalsContact C-N 3.27Å; I700-H702 PolarHBondContact O-N 2.79Å; H702-L705 PolarHBondContact O-N 2.99Å; H702-Y706 WeakPolarHBondContact O-CB 3.41Å; H702-Y706 PolarHBondContact O-N 3.26Å; H702-A831 PolarHBondContact NE2-O 2.89Å; H702-I834 HydrophobicContact CB-CB 4.48Å; H702-I834 HydrophobicContact CB-CD1 4.33Å; H702-I834 HydrophobicContact CB-CG2 3.9Å
703T96.1Very high95.8Very high3 Ų324.3 Ų24.32%0.01812%0.119CC..Hα-helixtrans-61.2-44.4174.5-63.20000112.1L643 Y699 I700 I701 L705 Y706 V707L643-T703 HydrophobicContact CD1-CG2 3.69Å; L643-T703 HydrophobicContact CD2-CG2 4.41Å; Y699-T703 PolarHBondContact O-N 3.15Å; Y699-T703 VanDerWaalsContact O-N 3.13Å; Y699-T703 PolarHBondContact O-OG1 3.49Å; I700-T703 WeakPolarHBondContact O-CB 3.48Å; I700-T703 PolarHBondContact O-N 2.79Å; I701-T703 VanDerWaalsContact C-N 3.33Å; I701-T703 PolarHBondContact O-N 3.5Å; T703-L705 PolarHBondContact O-N 3Å; T703-Y706 PolarHBondContact O-N 3.49Å; T703-V707 WeakPolarHBondContact O-CG2 3.48Å; T703-V707 PolarHBondContact O-N 3.45Å
704V97.3Very high95.6Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-60.1-47175.7175.20000110.7Y661 N664 I665 I700 I701 Y706 V707 L708 H751Y661-V704 HydrophobicContact CD2-CG1 4.48Å; N664-V704 HydrophobicContact CB-CG2 3.45Å; N664-V704 VanDerWaalsContact CB-CG2 3.45Å; I665-V704 HydrophobicContact CD1-CG1 4.11Å; I665-V704 HydrophobicContact CG1-CG1 3.86Å; I665-V704 HydrophobicContact CG1-CG2 4.21Å; I700-V704 PolarHBondContact O-N 2.86Å; I700-V704 VanDerWaalsContact O-N 3.09Å; I701-V704 PolarHBondContact O-N 2.77Å; V704-Y706 PolarHBondContact O-N 3.16Å; V704-V707 PolarHBondContact O-N 2.91Å; V704-L708 HydrophobicContact CG1-CD1 3.75Å; V704-L708 HydrophobicContact CG1-CG 4.18Å; V704-L708 WeakPolarHBondContact O-CB 3.22Å; V704-L708 WeakPolarHBondContact O-CG 3.47Å; V704-L708 PolarHBondContact O-N 2.72Å; V704-H751 WeakPolarHBondContact CG1-CD2 3.44Å
705L96.6Very high95.4Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-63.4-41.5-179.9-66.5169.7000112.3I701 H702 T703 V707 L708 N709 H751 L830 A831 I834I701-L705 HydrophobicContact CG2-CD1 3.75Å; I701-L705 HydrophobicContact CG2-CG 4.21Å; I701-L705 VanDerWaalsContact O-CG 3.27Å; I701-L705 WeakPolarHBondContact O-CG 3.39Å; I701-L705 PolarHBondContact O-N 2.95Å; H702-L705 PolarHBondContact O-N 2.99Å; T703-L705 PolarHBondContact O-N 3Å; L705-V707 PolarHBondContact O-N 3.29Å; L705-L708 PolarHBondContact O-N 3.17Å; L705-N709 VanDerWaalsContact O-CB 3.26Å; L705-N709 WeakPolarHBondContact O-CB 3.38Å; L705-N709 PolarHBondContact O-N 3.18Å; L705-N709 PolarHBondContact O-ND2 3.05Å; L705-N709 VanDerWaalsContact O-ND2 3.12Å; L705-H751 HydrophobicContact CD2-CB 4.02Å; L705-L830 HydrophobicContact CD1-CB 3.91Å; L705-L830 HydrophobicContact CD1-CD2 3.7Å; L705-L830 HydrophobicContact CD1-CG 3.55Å; L705-L830 HydrophobicContact CD2-CD2 4.46Å; L705-A831 HydrophobicContact CB-CB 3.98Å; L705-A831 HydrophobicContact CD1-CB 4.19Å; L705-I834 HydrophobicContact CD1-CD1 4.1Å
706Y95.6Very high95.3Very high31 Ų3134.6 Ų34.612%0.12217%0.17CC..Hα-helixtrans-57.2-49.9176.4174.9-100.3000111.1W630 E636 F639 L643 H702 T703 V704 N709 T710W630-Y706 HydrophobicContact CE3-CD2 4.06Å; W630-Y706 HydrophobicContact CH2-CD2 4.34Å; W630-Y706 HydrophobicContact CH2-CE2 4.29Å; W630-Y706 AromaticContact CZ3-CD2 3.65Å; W630-Y706 HydrophobicContact CZ3-CD2 3.65Å; W630-Y706 HydrophobicContact CZ3-CE2 4.04Å; E636-Y706 HydrophobicContact CG-CE2 4.14Å; F639-Y706 HydrophobicContact CD1-CD2 4.19Å; F639-Y706 HydrophobicContact CD1-CE2 4.04Å; F639-Y706 HydrophobicContact CD1-CG 4.49Å; F639-Y706 AromaticContact CE1-CD1 3.87Å; F639-Y706 HydrophobicContact CE1-CD1 3.87Å; F639-Y706 AromaticContact CE1-CD2 3.77Å; F639-Y706 HydrophobicContact CE1-CD2 3.77Å; F639-Y706 HydrophobicContact CE1-CE1 4.13Å; F639-Y706 HydrophobicContact CE1-CE2 4.04Å; F639-Y706 AromaticContact CE1-CG 3.68Å; F639-Y706 HydrophobicContact CE1-CG 3.68Å; L643-Y706 HydrophobicContact CD2-CD1 3.62Å; L643-Y706 HydrophobicContact CD2-CE1 3.81Å; H702-Y706 WeakPolarHBondContact O-CB 3.41Å; H702-Y706 PolarHBondContact O-N 3.26Å; T703-Y706 PolarHBondContact O-N 3.49Å; V704-Y706 PolarHBondContact O-N 3.16Å; Y706-N709 PolarHBondContact O-N 3.08Å; Y706-T710 HydrophobicContact CD2-CG2 4.22Å; Y706-T710 HydrophobicContact CE1-CG2 4.37Å; Y706-T710 HydrophobicContact CE2-CG2 3.88Å; Y706-T710 WeakPolarHBondContact O-CB 3.49Å; Y706-T710 VanDerWaalsContact O-CG2 3.31Å; Y706-T710 WeakPolarHBondContact O-CG2 3.37Å; Y706-T710 PolarHBondContact O-N 3.14Å; Y706-T710 PolarHBondContact O-OG1 3.29Å
707V95.1Very high95.3Very high36 Ų3634.8 Ų34.822%0.21817%0.172CC..Hα-helixtrans-67-42.7179.1-179.30000111.4Y661 T703 V704 L705 N709 T710 T711Y661-V707 HydrophobicContact CD1-CG1 3.88Å; Y661-V707 HydrophobicContact CG-CG1 4.39Å; T703-V707 WeakPolarHBondContact O-CG2 3.48Å; T703-V707 PolarHBondContact O-N 3.45Å; V704-V707 PolarHBondContact O-N 2.91Å; L705-V707 PolarHBondContact O-N 3.29Å; V707-N709 PolarHBondContact O-N 3.39Å; V707-T710 WeakPolarHBondContact CA-OG1 3.2Å; V707-T710 PolarHBondContact O-OG1 2.67Å; V707-T711 HydrophobicContact CG1-CG2 4.11Å; V707-T711 WeakPolarHBondContact O-CB 3.27Å; V707-T711 VanDerWaalsContact O-CG2 3.31Å; V707-T711 WeakPolarHBondContact O-CG2 3.4Å; V707-T711 PolarHBondContact O-N 3.28Å; V707-T711 PolarHBondContact O-OG1 3.09Å
708L94.4Very high95.1Very high0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-58.5-45.8176.7-79.3175.9000112.4Y661 V704 L705 R712 A713 E717 H751Y661-L708 HydrophobicContact CD1-CD2 4.36Å; Y661-L708 HydrophobicContact CD2-CD2 3.73Å; Y661-L708 HydrophobicContact CD2-CG 4.14Å; Y661-L708 HydrophobicContact CE1-CD2 4.12Å; Y661-L708 HydrophobicContact CE2-CD2 3.48Å; Y661-L708 VanDerWaalsContact CE2-CD2 3.48Å; Y661-L708 HydrophobicContact CE2-CG 4.37Å; Y661-L708 HydrophobicContact CG-CD2 4.17Å; Y661-L708 HydrophobicContact CG-CG 4.4Å; V704-L708 HydrophobicContact CG1-CD1 3.75Å; V704-L708 HydrophobicContact CG1-CG 4.18Å; V704-L708 WeakPolarHBondContact O-CB 3.22Å; V704-L708 WeakPolarHBondContact O-CG 3.47Å; V704-L708 PolarHBondContact O-N 2.72Å; L705-L708 PolarHBondContact O-N 3.17Å; L708-R712 WeakPolarHBondContact O-CA 3.31Å; L708-R712 PolarHBondContact O-N 3.06Å; L708-A713 HydrophobicContact CD2-CB 3.83Å; L708-A713 PolarHBondContact O-N 3.3Å; L708-E717 HydrophobicContact CD2-CG 4.06Å; L708-H751 HydrophobicContact CD1-CB 3.98Å
709N93.7Very high95Very high39 Ų3946.8 Ų46.821%0.20923%0.225CC..Hα-helixtrans-71.3-44.1-177-68-24.9000111.3L705 Y706 V707 R712 S827L705-N709 VanDerWaalsContact O-CB 3.26Å; L705-N709 WeakPolarHBondContact O-CB 3.38Å; L705-N709 PolarHBondContact O-N 3.18Å; L705-N709 PolarHBondContact O-ND2 3.05Å; L705-N709 VanDerWaalsContact O-ND2 3.12Å; Y706-N709 PolarHBondContact O-N 3.08Å; V707-N709 PolarHBondContact O-N 3.39Å; N709-R712 PolarHBondContact O-N 2.86Å; N709-S827 PolarHBondContact ND2-O 2.98Å; N709-S827 VanDerWaalsContact OD1-CB 3.28Å; N709-S827 WeakPolarHBondContact OD1-CB 3.36Å; N709-S827 PolarHBondContact OD1-OG 3.42Å
710T93.1Very high95Very high70 Ų7049.9 Ų49.943%0.42924%0.242SC..Hα-helixtrans-68-37.6179.251.10000112.7Y706 V707 R712Y706-T710 HydrophobicContact CD2-CG2 4.22Å; Y706-T710 HydrophobicContact CE1-CG2 4.37Å; Y706-T710 HydrophobicContact CE2-CG2 3.88Å; Y706-T710 WeakPolarHBondContact O-CB 3.49Å; Y706-T710 VanDerWaalsContact O-CG2 3.31Å; Y706-T710 WeakPolarHBondContact O-CG2 3.37Å; Y706-T710 PolarHBondContact O-N 3.14Å; Y706-T710 PolarHBondContact O-OG1 3.29Å; V707-T710 WeakPolarHBondContact CA-OG1 3.2Å; V707-T710 PolarHBondContact O-OG1 2.67Å; T710-R712 VanDerWaalsContact C-N 3.32Å
711T92.8Very high94.9Very high82 Ų8249.7 Ų49.750%0.50324%0.241SC..THydrogen-bonded Turntrans-85.1-3.6176.163.30000113.9V707 A713V707-T711 HydrophobicContact CG1-CG2 4.11Å; V707-T711 WeakPolarHBondContact O-CB 3.27Å; V707-T711 VanDerWaalsContact O-CG2 3.31Å; V707-T711 WeakPolarHBondContact O-CG2 3.4Å; V707-T711 PolarHBondContact O-N 3.28Å; V707-T711 PolarHBondContact O-OG1 3.09Å; T711-A713 PolarHBondContact O-N 3.28Å
712R92Very high94.8Very high222 Ų22254.1 Ų54.184%0.83826%0.262SS*.THydrogen-bonded Turntrans54.236.2-177-55.3-179.1179.7-174.3-0.9113.1L708 N709 T710L708-R712 WeakPolarHBondContact O-CA 3.31Å; L708-R712 PolarHBondContact O-N 3.06Å; N709-R712 PolarHBondContact O-N 2.86Å; T710-R712 VanDerWaalsContact C-N 3.32Å
713A93.8Very high94.7Very high7 Ų755.9 Ų55.96%0.05828%0.281CS..  trans-84.7-10.1-176.600000113.9Y661 L708 T711 S715 R716 E717Y661-A713 HydrophobicContact CE1-CB 4.21Å; L708-A713 HydrophobicContact CD2-CB 3.83Å; L708-A713 PolarHBondContact O-N 3.3Å; T711-A713 PolarHBondContact O-N 3.28Å; A713-S715 PolarHBondContact O-N 2.94Å; A713-R716 WeakPolarHBondContact O-CB 3.3Å; A713-R716 PolarHBondContact O-N 3.18Å; A713-E717 PolarHBondContact O-N 3.23Å; A713-E717 VanDerWaalsContact O-N 3.11Å
714T92.3Very high94.8Very high18 Ų1856.2 Ų56.211%0.1128%0.282CS..Hα-helixtrans-50.7-50.2-177-51.70000113R716 E717 E718 I752 S827T714-R716 PolarHBondContact O-N 3.46Å; T714-E717 PolarHBondContact O-N 3.41Å; T714-E717 VanDerWaalsContact O-N 3.09Å; T714-E718 HydrophobicContact CG2-CG 4.48Å; T714-E718 WeakPolarHBondContact O-CG 3.47Å; T714-E718 PolarHBondContact O-N 2.96Å; T714-I752 HydrophobicContact CG2-CG2 4.21Å; T714-S827 PolarHBondContact OG1-OG 3.02Å
715S91.7Very high94.6Very high75 Ų7557.6 Ų57.652%0.52429%0.29SS..Hα-helixtrans-66.6-22.9-179.3-55.40000114.2A713 K719A713-S715 PolarHBondContact O-N 2.94Å; S715-K719 WeakPolarHBondContact O-CG 3.43Å; S715-K719 PolarHBondContact O-N 2.8Å
716R94.9Very high94.6Very high129 Ų12964 Ų6449%0.48732%0.319SS..Hα-helixtrans-71.9-47.7171.2177.7178.373.9-169.31.2109.8Y661 A713 T714 E718 K719 N720Y661-R716 PolarHBondContact OH-NH2 2.93Å; A713-R716 WeakPolarHBondContact O-CB 3.3Å; A713-R716 PolarHBondContact O-N 3.18Å; T714-R716 PolarHBondContact O-N 3.46Å; R716-E718 VanDerWaalsContact C-N 3.34Å; R716-E718 PolarHBondContact O-N 3.11Å; R716-K719 WeakPolarHBondContact O-CB 3.39Å; R716-K719 PolarHBondContact O-N 3.46Å; R716-K719 VanDerWaalsContact O-N 3.17Å; R716-N720 PolarHBondContact O-N 3.11Å
717E95.9Very high94.6Very high5 Ų564.4 Ų64.42%0.02332%0.322CS..Hα-helixtrans-68.9-31.5-178.9-63-46.3141.700113.2Y661 L708 A713 T714 K719 N720 L721 L748 I752Y661-E717 HydrophobicContact CE2-CG 4.14Å; Y661-E717 PolarHBondContact OH-OE1 3.16Å; L708-E717 HydrophobicContact CD2-CG 4.06Å; A713-E717 PolarHBondContact O-N 3.23Å; A713-E717 VanDerWaalsContact O-N 3.11Å; T714-E717 PolarHBondContact O-N 3.41Å; T714-E717 VanDerWaalsContact O-N 3.09Å; E717-K719 VanDerWaalsContact C-N 3.32Å; E717-K719 PolarHBondContact O-N 3.19Å; E717-N720 PolarHBondContact O-N 3.42Å; E717-N720 PolarHBondContact OE1-ND2 3.38Å; E717-N720 PolarHBondContact OE2-ND2 3.33Å; E717-L721 WeakPolarHBondContact O-CB 3.43Å; E717-L721 PolarHBondContact O-N 3.37Å; E717-L748 HydrophobicContact CB-CD1 4Å; E717-L748 HydrophobicContact CB-CD2 4.25Å; E717-L748 HydrophobicContact CG-CD1 4.12Å; E717-I752 HydrophobicContact CB-CD1 4.47Å; E717-I752 HydrophobicContact CB-CG2 4.18Å
718E94.1Very high94.6Very high91 Ų9166 Ų6643%0.42533%0.333SS..Hα-helixtrans-57.8-44.4168.8-74.6174.2162.600111.7T714 R716 L721 Q722 I752T714-E718 HydrophobicContact CG2-CG 4.48Å; T714-E718 WeakPolarHBondContact O-CG 3.47Å; T714-E718 PolarHBondContact O-N 2.96Å; R716-E718 VanDerWaalsContact C-N 3.34Å; R716-E718 PolarHBondContact O-N 3.11Å; E718-L721 PolarHBondContact O-N 2.91Å; E718-Q722 WeakPolarHBondContact O-CB 3.44Å; E718-Q722 PolarHBondContact O-N 3.03Å; E718-I752 HydrophobicContact CG-CB 4.28Å
719K95.8Very high94.6Very high160 Ų16069.6 Ų69.670%0.69635%0.349SS*.Hα-helixtrans-66.5-39.3175.7-70.6176.1-177.7178.10112S715 R716 E717 Q722 G723S715-K719 WeakPolarHBondContact O-CG 3.43Å; S715-K719 PolarHBondContact O-N 2.8Å; R716-K719 WeakPolarHBondContact O-CB 3.39Å; R716-K719 PolarHBondContact O-N 3.46Å; R716-K719 VanDerWaalsContact O-N 3.17Å; E717-K719 VanDerWaalsContact C-N 3.32Å; E717-K719 PolarHBondContact O-N 3.19Å; K719-Q722 PolarHBondContact O-N 2.91Å; K719-G723 PolarHBondContact O-N 3.32Å
720N96.5Very high94.5Very high71 Ų7173.8 Ų73.838%0.3837%0.367SS..Hα-helixtrans-63-46.7177-68.2-17000111.1R716 E717 G723 F724 F745R716-N720 PolarHBondContact O-N 3.11Å; E717-N720 PolarHBondContact O-N 3.42Å; E717-N720 PolarHBondContact OE1-ND2 3.38Å; E717-N720 PolarHBondContact OE2-ND2 3.33Å; N720-G723 PolarHBondContact O-N 3.18Å; N720-F724 PolarHBondContact O-N 2.94Å; N720-F745 HydrophobicContact CB-CE1 4.18Å
721L96.1Very high94.6Very high1 Ų175.4 Ų75.41%0.00537%0.369CS..Hα-helixtrans-65.3-40.5177.2-177.764.7000111.6E717 E718 G723 F724 L725 F745 L748 A749 I752 L753E717-L721 WeakPolarHBondContact O-CB 3.43Å; E717-L721 PolarHBondContact O-N 3.37Å; E718-L721 PolarHBondContact O-N 2.91Å; L721-G723 VanDerWaalsContact C-N 3.33Å; L721-G723 PolarHBondContact O-N 2.83Å; L721-F724 HydrophobicContact CD1-CD1 4.03Å; L721-F724 WeakPolarHBondContact O-CB 3.32Å; L721-F724 PolarHBondContact O-N 3.08Å; L721-L725 HydrophobicContact CG-CD1 4.32Å; L721-L725 WeakPolarHBondContact O-CG 3.3Å; L721-L725 PolarHBondContact O-N 3.46Å; L721-F745 HydrophobicContact CD1-CB 3.95Å; L721-F745 HydrophobicContact CD1-CD1 3.89Å; L721-F745 HydrophobicContact CD1-CG 4.34Å; L721-L748 HydrophobicContact CB-CD2 4.49Å; L721-A749 HydrophobicContact CD2-CB 3.94Å; L721-I752 HydrophobicContact CB-CD1 3.54Å; L721-I752 HydrophobicContact CD2-CD1 3.4Å; L721-I752 HydrophobicContact CD2-CG1 3.89Å; L721-I752 HydrophobicContact CG-CD1 4.07Å; L721-L753 HydrophobicContact CD2-CD1 3.63Å; L721-L753 HydrophobicContact CD2-CD2 3.94Å; L721-L753 HydrophobicContact CD2-CG 3.58Å
722Q95.6Very high94.7Very high93 Ų9371.8 Ų71.844%0.43535%0.346SS..Hα-helixtrans-60.5-44.5174.4-171.363.821.400111.2E718 K719 F724 L725 E726E718-Q722 WeakPolarHBondContact O-CB 3.44Å; E718-Q722 PolarHBondContact O-N 3.03Å; K719-Q722 PolarHBondContact O-N 2.91Å; Q722-F724 VanDerWaalsContact C-N 3.29Å; Q722-F724 PolarHBondContact O-N 3.44Å; Q722-L725 PolarHBondContact O-N 3.35Å; Q722-E726 HydrophobicContact CG-CG 4.39Å; Q722-E726 PolarHBondContact NE2-OE1 3.35Å; Q722-E726 WeakPolarHBondContact O-CB 2.97Å; Q722-E726 WeakPolarHBondContact O-CG 3.23Å; Q722-E726 PolarHBondContact O-N 3.4Å
723G96.3Very high94.8Very high41 Ų4161.2 Ų61.242%0.42331%0.306SS..Hα-helixtrans-61.2-35.3175.300000113.3K719 N720 L721 Q727K719-G723 PolarHBondContact O-N 3.32Å; N720-G723 PolarHBondContact O-N 3.18Å; L721-G723 VanDerWaalsContact C-N 3.33Å; L721-G723 PolarHBondContact O-N 2.83Å; G723-Q727 PolarHBondContact O-N 3.18Å; G723-Q727 VanDerWaalsContact O-N 3.15Å
724F96.4Very high94.8Very high9 Ų965.2 Ų65.24%0.03932%0.323CS..Hα-helixtrans-65.4-45.5172.6166.2-100.9000112.4N720 L721 Q722 Q727 P742 F745 R768N720-F724 PolarHBondContact O-N 2.94Å; L721-F724 HydrophobicContact CD1-CD1 4.03Å; L721-F724 WeakPolarHBondContact O-CB 3.32Å; L721-F724 PolarHBondContact O-N 3.08Å; Q722-F724 VanDerWaalsContact C-N 3.29Å; Q722-F724 PolarHBondContact O-N 3.44Å; F724-Q727 VanDerWaalsContact O-CB 3.29Å; F724-Q727 WeakPolarHBondContact O-CB 3.31Å; F724-Q727 PolarHBondContact O-N 3.26Å; F724-P742 HydrophobicContact CE2-CB 4.23Å; F724-P742 HydrophobicContact CE2-CG 3.96Å; F724-P742 HydrophobicContact CZ-CB 4.01Å; F724-P742 HydrophobicContact CZ-CG 4.18Å; F724-F745 HydrophobicContact CB-CB 4.49Å; F724-F745 HydrophobicContact CB-CD1 3.86Å; F724-F745 HydrophobicContact CB-CD2 3.83Å; F724-F745 HydrophobicContact CB-CE1 3.98Å; F724-F745 HydrophobicContact CB-CE2 3.91Å; F724-F745 HydrophobicContact CB-CG 3.79Å; F724-F745 HydrophobicContact CB-CZ 4Å; F724-F745 HydrophobicContact CD1-CB 3.61Å; F724-F745 HydrophobicContact CD1-CD1 4.44Å; F724-F745 HydrophobicContact CD1-CD2 4.23Å; F724-F745 AromaticContact CD1-CG 3.85Å; F724-F745 HydrophobicContact CD1-CG 3.85Å; F724-F745 HydrophobicContact CD2-CB 4.13Å; F724-F745 AromaticContact CD2-CD2 3.29Å; F724-F745 HydrophobicContact CD2-CD2 3.29Å; F724-F745 AromaticContact CD2-CE2 3.82Å; F724-F745 HydrophobicContact CD2-CE2 3.82Å; F724-F745 AromaticContact CD2-CG 3.8Å; F724-F745 HydrophobicContact CD2-CG 3.8Å; F724-F745 HydrophobicContact CE1-CB 3.75Å; F724-F745 HydrophobicContact CE1-CG 4.39Å; F724-F745 HydrophobicContact CE2-CB 4.25Å; F724-F745 AromaticContact CE2-CD2 3.86Å; F724-F745 HydrophobicContact CE2-CD2 3.86Å; F724-F745 HydrophobicContact CE2-CG 4.34Å; F724-F745 HydrophobicContact CG-CB 3.81Å; F724-F745 HydrophobicContact CG-CD1 4.09Å; F724-F745 AromaticContact CG-CD2 3.51Å; F724-F745 HydrophobicContact CG-CD2 3.51Å; F724-F745 HydrophobicContact CG-CE2 4.05Å; F724-F745 AromaticContact CG-CG 3.52Å; F724-F745 HydrophobicContact CG-CG 3.52Å; F724-F745 HydrophobicContact CZ-CB 4.08Å; F724-R768 HydrophobicContact CE1-CG 4.37Å; F724-R768 HydrophobicContact CZ-CB 4.02Å; F724-R768 HydrophobicContact CZ-CG 3.88Å; F724-R768 PolarHBondContact O-NH1 2.72Å
725L95Very high94.9Very high30 Ų3064.4 Ų64.416%0.15732%0.318CS..Hα-helixtrans-66.7-35.5179.1-68.5173.6000112.3L721 Q722 Q727 T761 I765L721-L725 HydrophobicContact CG-CD1 4.32Å; L721-L725 WeakPolarHBondContact O-CG 3.3Å; L721-L725 PolarHBondContact O-N 3.46Å; Q722-L725 PolarHBondContact O-N 3.35Å; L725-Q727 VanDerWaalsContact C-N 3.31Å; L725-T761 HydrophobicContact CD1-CG2 4.02Å; L725-I765 HydrophobicContact CD2-CG1 3.99Å
726E95.3Very high95Very high134 Ų13460.9 Ų60.963%0.62629%0.293SS*.THydrogen-bonded Turntrans-84.4-2.8178.2-68.2177.6172.100113.5Q722Q722-E726 HydrophobicContact CG-CG 4.39Å; Q722-E726 PolarHBondContact NE2-OE1 3.35Å; Q722-E726 WeakPolarHBondContact O-CB 2.97Å; Q722-E726 WeakPolarHBondContact O-CG 3.23Å; Q722-E726 PolarHBondContact O-N 3.4Å
727Q95.5Very high95Very high39 Ų3955.1 Ų55.118%0.18227%0.272CS..  trans-62.3130.5-175.6-165.9-174.834.700111G723 F724 L725 K731 W732G723-Q727 PolarHBondContact O-N 3.18Å; G723-Q727 VanDerWaalsContact O-N 3.15Å; F724-Q727 VanDerWaalsContact O-CB 3.29Å; F724-Q727 WeakPolarHBondContact O-CB 3.31Å; F724-Q727 PolarHBondContact O-N 3.26Å; L725-Q727 VanDerWaalsContact C-N 3.31Å; Q727-K731 HydrophobicContact CG-CB 3.93Å; Q727-K731 HydrophobicContact CG-CD 4.31Å; Q727-W732 PolarHBondContact O-NE1 3.45Å
728P94.8Very high94.9Very high69 Ų6958.7 Ų58.745%0.44829%0.289SS..  trans-62.9146.5-177.926.5-36.1000112E730 K731P728-E730 WeakPolarHBondContact CB-OE2 3.31Å; P728-E730 PolarHBondContact O-N 2.91Å; P728-K731 HydrophobicContact CG-CG 4.41Å; P728-K731 PolarHBondContact O-N 3.16Å
729K94.1Very high94.9Very high77 Ų7754.7 Ų54.734%0.33527%0.271SS..G310 helixtrans-57.2-26.7-174.9-72.4-170.6177.1-175.20113.4K731 W732 S888K729-K731 PolarHBondContact O-N 2.91Å; K729-W732 VanDerWaalsContact CA-CD1 3.47Å; K729-W732 HydrophobicContact CB-CD2 4.47Å; K729-W732 HydrophobicContact CG-CD2 4.13Å; K729-W732 HydrophobicContact CG-CE3 4.5Å; K729-W732 HydrophobicContact CG-CH2 4.3Å; K729-W732 HydrophobicContact CG-CZ2 3.89Å; K729-W732 WeakPolarHBondContact O-CB 3.43Å; K729-W732 PolarHBondContact O-N 3.3Å; K729-W732 VanDerWaalsContact O-N 3.12Å; K729-S888 WeakPolarHBondContact CD-O 3.38Å; K729-S888 VanDerWaalsContact NZ-CB 3.31Å; K729-S888 PolarHBondContact NZ-OG 2.84Å
730E92.9Very high94.9Very high126 Ų12650.6 Ų50.659%0.58926%0.256SS*.G310 helixtrans-59.1-25.5175.8-64.269.8-158.600113.7P728 P890P728-E730 WeakPolarHBondContact CB-OE2 3.31Å; P728-E730 PolarHBondContact O-N 2.91Å; E730-P890 HydrophobicContact CB-CG 4.25Å; E730-P890 HydrophobicContact CG-CG 4.19Å
731K94.2Very high94.9Very high105 Ų10547.4 Ų47.446%0.45724%0.24SC..G310 helixtrans-98.2-4.6179-65.5-163.8172.5-164.70113.9Q727 P728 K729 V733 E734 S735Q727-K731 HydrophobicContact CG-CB 3.93Å; Q727-K731 HydrophobicContact CG-CD 4.31Å; P728-K731 HydrophobicContact CG-CG 4.41Å; P728-K731 PolarHBondContact O-N 3.16Å; K729-K731 PolarHBondContact O-N 2.91Å; K731-V733 PolarHBondContact O-N 3.43Å; K731-E734 PolarHBondContact O-N 3.07Å; K731-S735 PolarHBondContact O-N 3.35Å
732W95.6Very high94.9Very high5 Ų547.3 Ų47.32%0.01924%0.24CC..Hα-helixtrans-65.1-38.8-173.1-72.518.2000112.7Q727 K729 S735 A736 E764 R767 V771 L885 V889Q727-W732 PolarHBondContact O-NE1 3.45Å; K729-W732 VanDerWaalsContact CA-CD1 3.47Å; K729-W732 HydrophobicContact CB-CD2 4.47Å; K729-W732 HydrophobicContact CG-CD2 4.13Å; K729-W732 HydrophobicContact CG-CE3 4.5Å; K729-W732 HydrophobicContact CG-CH2 4.3Å; K729-W732 HydrophobicContact CG-CZ2 3.89Å; K729-W732 WeakPolarHBondContact O-CB 3.43Å; K729-W732 PolarHBondContact O-N 3.3Å; K729-W732 VanDerWaalsContact O-N 3.12Å; W732-S735 PolarHBondContact O-N 3.42Å; W732-S735 PolarHBondContact O-OG 3.3Å; W732-A736 PolarHBondContact O-N 2.93Å; W732-E764 WeakPolarHBondContact CH2-OE1 3.27Å; W732-E764 WeakPolarHBondContact CZ2-OE1 3.08Å; W732-R767 HydrophobicContact CH2-CB 4.37Å; W732-R767 HydrophobicContact CZ3-CB 4.18Å; W732-V771 HydrophobicContact CB-CG1 4.19Å; W732-V771 HydrophobicContact CE3-CB 4.42Å; W732-V771 HydrophobicContact CE3-CG2 4.02Å; W732-V771 HydrophobicContact CZ3-CG2 4.34Å; W732-L885 HydrophobicContact CZ3-CD1 4Å; W732-V889 HydrophobicContact CB-CG1 4.46Å; W732-V889 HydrophobicContact CE3-CG2 3.92Å; W732-V889 HydrophobicContact CZ3-CG2 4.47Å
733V94.8Very high95.1Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-67.9-42178.3-174.10000111K731 A736 F737 A775 A783 L786 V889K731-V733 PolarHBondContact O-N 3.43Å; V733-A736 WeakPolarHBondContact O-CB 3.46Å; V733-A736 PolarHBondContact O-N 2.99Å; V733-F737 HydrophobicContact CG1-CE2 4.47Å; V733-F737 WeakPolarHBondContact O-CD2 3.47Å; V733-F737 WeakPolarHBondContact O-CE2 3.38Å; V733-A775 HydrophobicContact CG1-CB 3.91Å; V733-A783 HydrophobicContact CG1-CB 4.12Å; V733-L786 HydrophobicContact CG1-CD2 4.4Å; V733-L786 HydrophobicContact CG2-CD2 4.2Å; V733-L786 HydrophobicContact CG2-CG 3.86Å; V733-V889 HydrophobicContact CG2-CG1 3.47Å; V733-V889 VanDerWaalsContact CG2-CG1 3.47Å
734E92.3Very high95.2Very high92 Ų9241.5 Ų41.543%0.4320%0.201SC..Hα-helixtrans-61.9-44.2175.6-174.7176.6-16200111.1K731 A736 F737K731-E734 PolarHBondContact O-N 3.07Å; E734-A736 PolarHBondContact O-N 3.44Å; E734-F737 PolarHBondContact O-N 2.91Å
735S94.1Very high95.2Very high1 Ų142.4 Ų42.41%0.00721%0.205CC..Hα-helixtrans-60.3-19.9177.577.20000113.9K731 W732 F737 E738 P742 R768K731-S735 PolarHBondContact O-N 3.35Å; W732-S735 PolarHBondContact O-N 3.42Å; W732-S735 PolarHBondContact O-OG 3.3Å; S735-F737 PolarHBondContact O-N 3.36Å; S735-E738 PolarHBondContact O-N 2.64Å; S735-P742 WeakPolarHBondContact O-CD 3.4Å; S735-R768 PolarHBondContact OG-NH2 3.4Å
736A94.4Very high95.4Very high0 Ų041 Ų410%020%0.197CC..THydrogen-bonded Turntrans-65.1-17.9176.900000113.1W732 V733 E734 T772 A775 R776W732-A736 PolarHBondContact O-N 2.93Å; V733-A736 WeakPolarHBondContact O-CB 3.46Å; V733-A736 PolarHBondContact O-N 2.99Å; E734-A736 PolarHBondContact O-N 3.44Å; A736-T772 HydrophobicContact CB-CG2 3.88Å; A736-A775 HydrophobicContact CB-CB 3.94Å; A736-R776 VanDerWaalsContact O-CZ 3.25Å; A736-R776 PolarHBondContact O-NE 3.03Å; A736-R776 PolarHBondContact O-NH2 3.37Å
737F94.5Very high95.5Very high8 Ų834.6 Ų34.64%0.03517%0.168CC..THydrogen-bonded Turntrans-118.713.5-177-51.8-83.6000112.6M574 E575 N576 V733 E734 S735 A775 R776 A779 A783M574-F737 HydrophobicContact CB-CD1 4.18Å; M574-F737 WeakPolarHBondContact O-CB 3.48Å; M574-F737 VanDerWaalsContact O-CD1 3.3Å; M574-F737 WeakPolarHBondContact O-CD1 3.28Å; E575-F737 WeakPolarHBondContact CA-O 3.35Å; N576-F737 HydrophobicContact CB-CB 3.94Å; N576-F737 PolarHBondContact N-O 2.75Å; V733-F737 HydrophobicContact CG1-CE2 4.47Å; V733-F737 WeakPolarHBondContact O-CD2 3.47Å; V733-F737 WeakPolarHBondContact O-CE2 3.38Å; E734-F737 PolarHBondContact O-N 2.91Å; S735-F737 PolarHBondContact O-N 3.36Å; F737-A775 HydrophobicContact CE2-CB 4.14Å; F737-A775 HydrophobicContact CZ-CB 4.15Å; F737-R776 HydrophobicContact CE1-CG 3.97Å; F737-R776 HydrophobicContact CZ-CG 4.44Å; F737-A779 WeakPolarHBondContact CE1-O 3.37Å; F737-A779 VanDerWaalsContact CZ-O 3.24Å; F737-A779 WeakPolarHBondContact CZ-O 3.47Å; F737-A783 HydrophobicContact CE2-CB 4.18Å
738E94.4Very high95.7Very high80 Ų8032.8 Ų32.837%0.37416%0.159SC..SBendtrans-88.6148.7172.7-68.4178.9157.500110.8S735 G741S735-E738 PolarHBondContact O-N 2.64Å; E738-G741 PolarHBondContact O-N 3.42Å
739V94.5Very high95.8Very high8 Ų829.5 Ų29.55%0.04814%0.138CC..THydrogen-bonded Turntrans-62.4-49.1177.3173.50000111L571 E572 E575 Q581 H666 K669 G741L571-V739 HydrophobicContact CB-CG1 3.75Å; L571-V739 HydrophobicContact CD1-CG1 3.9Å; L571-V739 HydrophobicContact CG-CG1 4.49Å; E572-V739 HydrophobicContact CB-CG2 4.22Å; E575-V739 HydrophobicContact CB-CG2 4.38Å; E575-V739 HydrophobicContact CG-CG2 3.88Å; E575-V739 VanDerWaalsContact OE1-CG2 3.25Å; E575-V739 WeakPolarHBondContact OE1-CG2 3.35Å; E575-V739 WeakPolarHBondContact OE2-CG2 3.23Å; Q581-V739 HydrophobicContact CB-CG2 4.14Å; Q581-V739 HydrophobicContact CG-CG2 4.23Å; H666-V739 PolarHBondContact CE1-O 3.14Å; H666-V739 VanDerWaalsContact CE1-O 3.29Å; K669-V739 PolarHBondContact NZ-O 3.3Å; V739-G741 PolarHBondContact O-N 3.36Å; V739-G741 VanDerWaalsContact O-N 3.15Å
740D95.9Very high95.8Very high74 Ų7426 Ų2640%0.39612%0.122SC..THydrogen-bonded Turntrans-8750.3171.9-64.8-16.6000110.4H666 Y744 F745H666-D740 IonicContact CE1-OD1 2.73Å; H666-D740 PolarHBondContact CE1-OD1 3.41Å; H666-D740 IonicContact NE2-OD1 2.95Å; H666-D740 PolarHBondContact NE2-OD1 2.84Å; D740-Y744 HydrophobicContact CB-CD1 3.88Å; D740-Y744 HydrophobicContact CB-CE1 4.28Å; D740-Y744 HydrophobicContact CB-CG 4.27Å; D740-F745 WeakPolarHBondContact O-CD2 3.37Å; D740-F745 WeakPolarHBondContact O-CE2 3.33Å
741G95.4Very high96Very high3 Ų320 Ų203%0.0319%0.094CC..SBendtrans-84-165.8-18000000114E738 V739 Y743 Y744 F745E738-G741 PolarHBondContact O-N 3.42Å; V739-G741 PolarHBondContact O-N 3.36Å; V739-G741 VanDerWaalsContact O-N 3.15Å; G741-Y743 VanDerWaalsContact C-N 3.28Å; G741-Y743 PolarHBondContact O-N 3.32Å; G741-Y743 VanDerWaalsContact O-N 3.15Å; G741-Y744 WeakPolarHBondContact O-CB 3.42Å; G741-Y744 PolarHBondContact O-N 3.44Å; G741-F745 PolarHBondContact O-N 3.17Å; G741-F745 VanDerWaalsContact O-N 3.16Å
742P97.6Very high95.9Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-52.2-38.3-178.9-33.540.2000115.3F724 S735 T746 R768 L769 T772F724-P742 HydrophobicContact CE2-CB 4.23Å; F724-P742 HydrophobicContact CE2-CG 3.96Å; F724-P742 HydrophobicContact CZ-CB 4.01Å; F724-P742 HydrophobicContact CZ-CG 4.18Å; S735-P742 WeakPolarHBondContact O-CD 3.4Å; P742-T746 WeakPolarHBondContact O-CB 2.97Å; P742-T746 PolarHBondContact O-N 3.09Å; P742-T746 PolarHBondContact O-OG1 3.48Å; P742-R768 HydrophobicContact CB-CB 4.11Å; P742-R768 HydrophobicContact CG-CB 4.3Å; P742-L769 HydrophobicContact CB-CD2 4.01Å; P742-T772 WeakPolarHBondContact CG-OG1 3.47Å
743Y98.1Very high95.8Very high6 Ų615.7 Ų15.72%0.0248%0.077CC..Hα-helixtrans-65.1-38.4176.7-71.6-75.4000112.8L673 G741 V747 L769 T772 S800 F803L673-Y743 HydrophobicContact CD2-CD1 3.99Å; L673-Y743 HydrophobicContact CD2-CE1 3.72Å; G741-Y743 VanDerWaalsContact C-N 3.28Å; G741-Y743 PolarHBondContact O-N 3.32Å; G741-Y743 VanDerWaalsContact O-N 3.15Å; Y743-V747 PolarHBondContact O-N 3.4Å; Y743-L769 HydrophobicContact CD1-CD2 3.65Å; Y743-L769 HydrophobicContact CD2-CD2 4.39Å; Y743-L769 HydrophobicContact CE1-CD2 3.79Å; Y743-L769 HydrophobicContact CG-CD2 3.97Å; Y743-T772 HydrophobicContact CD2-CG2 4.28Å; Y743-T772 HydrophobicContact CE2-CG2 3.78Å; Y743-S800 PolarHBondContact OH-OG 3.32Å; Y743-F803 HydrophobicContact CD1-CB 4.45Å; Y743-F803 AromaticContact CD1-CD1 3.63Å; Y743-F803 HydrophobicContact CD1-CD1 3.63Å; Y743-F803 AromaticContact CD1-CD2 3.75Å; Y743-F803 HydrophobicContact CD1-CD2 3.75Å; Y743-F803 AromaticContact CD1-CE1 3.68Å; Y743-F803 HydrophobicContact CD1-CE1 3.68Å; Y743-F803 AromaticContact CD1-CE2 3.75Å; Y743-F803 HydrophobicContact CD1-CE2 3.75Å; Y743-F803 AromaticContact CD1-CG 3.67Å; Y743-F803 HydrophobicContact CD1-CG 3.67Å; Y743-F803 AromaticContact CD1-CZ 3.72Å; Y743-F803 HydrophobicContact CD1-CZ 3.72Å; Y743-F803 HydrophobicContact CE1-CB 4.05Å; Y743-F803 HydrophobicContact CE1-CD1 4.02Å; Y743-F803 HydrophobicContact CE1-CD2 4.02Å; Y743-F803 HydrophobicContact CE1-CE2 4.47Å; Y743-F803 AromaticContact CE1-CG 3.76Å; Y743-F803 HydrophobicContact CE1-CG 3.76Å; Y743-F803 HydrophobicContact CG-CZ 4.42Å
744Y98.4Very high95.7Very high5 Ų516.7 Ų16.72%0.028%0.083CC..Hα-helixtrans-66.2-51.2176.6172.4-96.2000110.9Q662 I665 H666 D740 G741 T746 V747 L748Q662-Y744 WeakPolarHBondContact CG-OH 3.29Å; I665-Y744 HydrophobicContact CB-CD2 4.28Å; I665-Y744 HydrophobicContact CB-CE2 3.74Å; I665-Y744 HydrophobicContact CD1-CE2 4.41Å; I665-Y744 HydrophobicContact CG2-CD2 3.52Å; I665-Y744 HydrophobicContact CG2-CE2 3.36Å; I665-Y744 HydrophobicContact CG2-CG 4.36Å; H666-Y744 AromaticContact CE1-CD2 3.28Å; H666-Y744 WeakPolarHBondContact CE1-CD2 3.4Å; H666-Y744 AromaticContact CE1-CE2 3.93Å; H666-Y744 AromaticContact CE1-CG 3.91Å; H666-Y744 AromaticContact ND1-CD2 3.45Å; H666-Y744 WeakPolarHBondContact ND1-CD2 3.42Å; H666-Y744 AromaticContact NE2-CD2 3.84Å; D740-Y744 HydrophobicContact CB-CD1 3.88Å; D740-Y744 HydrophobicContact CB-CE1 4.28Å; D740-Y744 HydrophobicContact CB-CG 4.27Å; G741-Y744 WeakPolarHBondContact O-CB 3.42Å; G741-Y744 PolarHBondContact O-N 3.44Å; Y744-T746 PolarHBondContact O-N 3.41Å; Y744-V747 PolarHBondContact O-N 3.13Å; Y744-L748 HydrophobicContact CE1-CD2 4.24Å; Y744-L748 PolarHBondContact O-N 3.06Å
745F98.2Very high95.8Very high29 Ų2913.2 Ų13.213%0.1277%0.069CC..Hα-helixtrans-63.3-30.7-179.7-78.4-68.6000113.4N720 L721 F724 D740 G741 V747 L748 A749N720-F745 HydrophobicContact CB-CE1 4.18Å; L721-F745 HydrophobicContact CD1-CB 3.95Å; L721-F745 HydrophobicContact CD1-CD1 3.89Å; L721-F745 HydrophobicContact CD1-CG 4.34Å; F724-F745 HydrophobicContact CB-CB 4.49Å; F724-F745 HydrophobicContact CB-CD1 3.86Å; F724-F745 HydrophobicContact CB-CD2 3.83Å; F724-F745 HydrophobicContact CB-CE1 3.98Å; F724-F745 HydrophobicContact CB-CE2 3.91Å; F724-F745 HydrophobicContact CB-CG 3.79Å; F724-F745 HydrophobicContact CB-CZ 4Å; F724-F745 HydrophobicContact CD1-CB 3.61Å; F724-F745 HydrophobicContact CD1-CD1 4.44Å; F724-F745 HydrophobicContact CD1-CD2 4.23Å; F724-F745 AromaticContact CD1-CG 3.85Å; F724-F745 HydrophobicContact CD1-CG 3.85Å; F724-F745 HydrophobicContact CD2-CB 4.13Å; F724-F745 AromaticContact CD2-CD2 3.29Å; F724-F745 HydrophobicContact CD2-CD2 3.29Å; F724-F745 AromaticContact CD2-CE2 3.82Å; F724-F745 HydrophobicContact CD2-CE2 3.82Å; F724-F745 AromaticContact CD2-CG 3.8Å; F724-F745 HydrophobicContact CD2-CG 3.8Å; F724-F745 HydrophobicContact CE1-CB 3.75Å; F724-F745 HydrophobicContact CE1-CG 4.39Å; F724-F745 HydrophobicContact CE2-CB 4.25Å; F724-F745 AromaticContact CE2-CD2 3.86Å; F724-F745 HydrophobicContact CE2-CD2 3.86Å; F724-F745 HydrophobicContact CE2-CG 4.34Å; F724-F745 HydrophobicContact CG-CB 3.81Å; F724-F745 HydrophobicContact CG-CD1 4.09Å; F724-F745 AromaticContact CG-CD2 3.51Å; F724-F745 HydrophobicContact CG-CD2 3.51Å; F724-F745 HydrophobicContact CG-CE2 4.05Å; F724-F745 AromaticContact CG-CG 3.52Å; F724-F745 HydrophobicContact CG-CG 3.52Å; F724-F745 HydrophobicContact CZ-CB 4.08Å; D740-F745 WeakPolarHBondContact O-CD2 3.37Å; D740-F745 WeakPolarHBondContact O-CE2 3.33Å; G741-F745 PolarHBondContact O-N 3.17Å; G741-F745 VanDerWaalsContact O-N 3.16Å; F745-V747 VanDerWaalsContact C-N 3.34Å; F745-L748 HydrophobicContact CD1-CD2 3.87Å; F745-L748 HydrophobicContact CE1-CD2 4.06Å; F745-L748 PolarHBondContact O-N 3.01Å; F745-A749 PolarHBondContact O-N 3.19Å
746T98.3Very high95.6Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-63-40.5173.2-56.80000111.7P742 Y744 A749 W758 I765 L769 F803 V807P742-T746 WeakPolarHBondContact O-CB 2.97Å; P742-T746 PolarHBondContact O-N 3.09Å; P742-T746 PolarHBondContact O-OG1 3.48Å; Y744-T746 PolarHBondContact O-N 3.41Å; T746-A749 WeakPolarHBondContact O-CB 3.43Å; T746-W758 HydrophobicContact CG2-CH2 4.18Å; T746-W758 HydrophobicContact CG2-CZ3 4.47Å; T746-I765 HydrophobicContact CG2-CG2 3.83Å; T746-I765 WeakPolarHBondContact OG1-CG2 3.15Å; T746-L769 HydrophobicContact CG2-CD1 4.5Å; T746-F803 HydrophobicContact CG2-CD1 4.42Å; T746-F803 HydrophobicContact CG2-CE1 3.87Å; T746-V807 HydrophobicContact CG2-CB 4.18Å; T746-V807 HydrophobicContact CG2-CG1 4Å; T746-V807 HydrophobicContact CG2-CG2 3.66Å
747V98.4Very high95.6Very high0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-77.3-37.5177.2178.30000111.2I665 I668 K669 F672 Y743 Y744 F745 A749 L750 H751 F803I665-V747 HydrophobicContact CG2-CB 4.06Å; I665-V747 HydrophobicContact CG2-CG1 3.88Å; I668-V747 HydrophobicContact CB-CG1 3.75Å; I668-V747 HydrophobicContact CD1-CG1 4.39Å; I668-V747 HydrophobicContact CG2-CG1 3.54Å; I668-V747 HydrophobicContact CG2-CG2 4.46Å; K669-V747 HydrophobicContact CB-CG2 4.15Å; F672-V747 HydrophobicContact CD2-CG2 4.12Å; F672-V747 HydrophobicContact CE2-CG2 4.3Å; Y743-V747 PolarHBondContact O-N 3.4Å; Y744-V747 PolarHBondContact O-N 3.13Å; F745-V747 VanDerWaalsContact C-N 3.34Å; V747-A749 PolarHBondContact O-N 3.18Å; V747-L750 WeakPolarHBondContact O-CB 3.04Å; V747-L750 PolarHBondContact O-N 2.96Å; V747-L750 VanDerWaalsContact O-N 3.16Å; V747-H751 PolarHBondContact O-ND1 2.81Å; V747-F803 HydrophobicContact CG2-CE1 4.23Å; V747-F803 HydrophobicContact CG2-CZ 3.61Å
748L98Very high95.6Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-55.7-41.4173.9178.164.4000110.6I665 E717 L721 Y744 F745 L750 H751 I752I665-L748 HydrophobicContact CD1-CD1 3.53Å; I665-L748 HydrophobicContact CG2-CB 4.48Å; E717-L748 HydrophobicContact CB-CD1 4Å; E717-L748 HydrophobicContact CB-CD2 4.25Å; E717-L748 HydrophobicContact CG-CD1 4.12Å; L721-L748 HydrophobicContact CB-CD2 4.49Å; Y744-L748 HydrophobicContact CE1-CD2 4.24Å; Y744-L748 PolarHBondContact O-N 3.06Å; F745-L748 HydrophobicContact CD1-CD2 3.87Å; F745-L748 HydrophobicContact CE1-CD2 4.06Å; F745-L748 PolarHBondContact O-N 3.01Å; L748-L750 PolarHBondContact O-N 3.36Å; L748-L750 VanDerWaalsContact O-N 3.15Å; L748-H751 WeakPolarHBondContact O-CB 3.28Å; L748-H751 PolarHBondContact O-N 3.03Å; L748-I752 HydrophobicContact CD2-CD1 4.29Å; L748-I752 HydrophobicContact CG-CD1 3.99Å
749A97.1Very high95.5Very high0 Ų027.4 Ų27.40%013%0.129CC..Hα-helixtrans-51.7-38.3178.500000113.3L721 F745 T746 V747 H751 I752 L753 W758 Y811L721-A749 HydrophobicContact CD2-CB 3.94Å; F745-A749 PolarHBondContact O-N 3.19Å; T746-A749 WeakPolarHBondContact O-CB 3.43Å; V747-A749 PolarHBondContact O-N 3.18Å; A749-H751 PolarHBondContact O-N 3.16Å; A749-H751 VanDerWaalsContact O-N 3.09Å; A749-I752 PolarHBondContact O-N 3.21Å; A749-I752 VanDerWaalsContact O-N 3.14Å; A749-L753 HydrophobicContact CB-CD1 4.19Å; A749-L753 HydrophobicContact CB-CG 4.34Å; A749-L753 PolarHBondContact O-N 3.25Å; A749-W758 HydrophobicContact CB-CE3 4.36Å; A749-W758 HydrophobicContact CB-CZ3 4.38Å; A749-Y811 PolarHBondContact O-OH 2.9Å
750L95.6Very high95.5Very high3 Ų331.2 Ų31.22%0.01616%0.161CC..Hα-helixtrans-54.1-32.8177.5-72.9165.1000113.1F672 V747 L748 V807 I810 Y811 W826F672-L750 HydrophobicContact CE2-CD1 4.01Å; F672-L750 HydrophobicContact CZ-CD1 4.2Å; V747-L750 WeakPolarHBondContact O-CB 3.04Å; V747-L750 PolarHBondContact O-N 2.96Å; V747-L750 VanDerWaalsContact O-N 3.16Å; L748-L750 PolarHBondContact O-N 3.36Å; L748-L750 VanDerWaalsContact O-N 3.15Å; L750-V807 HydrophobicContact CD1-CG1 4.2Å; L750-V807 HydrophobicContact CD2-CG1 4Å; L750-V807 HydrophobicContact CG-CG1 3.96Å; L750-I810 HydrophobicContact CD1-CG2 4.36Å; L750-I810 HydrophobicContact CD2-CB 4.07Å; L750-I810 HydrophobicContact CD2-CG2 3.86Å; L750-Y811 WeakPolarHBondContact CA-OH 3.39Å; L750-Y811 HydrophobicContact CD2-CD1 4.4Å; L750-Y811 HydrophobicContact CD2-CD2 3.53Å; L750-Y811 HydrophobicContact CD2-CE1 4.33Å; L750-Y811 HydrophobicContact CD2-CE2 3.44Å; L750-Y811 VanDerWaalsContact CD2-CE2 3.44Å; L750-Y811 HydrophobicContact CD2-CG 4.04Å; L750-Y811 HydrophobicContact CG-CE2 4.1Å; L750-Y811 PolarHBondContact N-OH 3.28Å; L750-W826 PolarHBondContact O-NE1 3.23Å
751H95.6Very high95.4Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-88-22.8-173.6-57.482.7000112.7V704 L705 L708 V747 L748 A749 S827V704-H751 WeakPolarHBondContact CG1-CD2 3.44Å; L705-H751 HydrophobicContact CD2-CB 4.02Å; L708-H751 HydrophobicContact CD1-CB 3.98Å; V747-H751 PolarHBondContact O-ND1 2.81Å; L748-H751 WeakPolarHBondContact O-CB 3.28Å; L748-H751 PolarHBondContact O-N 3.03Å; A749-H751 PolarHBondContact O-N 3.16Å; A749-H751 VanDerWaalsContact O-N 3.09Å; H751-S827 WeakPolarHBondContact O-CB 3.47Å
752I93Very high95.4Very high4 Ų430.1 Ų30.12%0.02115%0.154CC..Hα-helixtrans-120.1-34.4-170.759.4173.8000114.1T714 E717 E718 L721 L748 A749T714-I752 HydrophobicContact CG2-CG2 4.21Å; E717-I752 HydrophobicContact CB-CD1 4.47Å; E717-I752 HydrophobicContact CB-CG2 4.18Å; E718-I752 HydrophobicContact CG-CB 4.28Å; L721-I752 HydrophobicContact CB-CD1 3.54Å; L721-I752 HydrophobicContact CD2-CD1 3.4Å; L721-I752 HydrophobicContact CD2-CG1 3.89Å; L721-I752 HydrophobicContact CG-CD1 4.07Å; L748-I752 HydrophobicContact CD2-CD1 4.29Å; L748-I752 HydrophobicContact CG-CD1 3.99Å; A749-I752 PolarHBondContact O-N 3.21Å; A749-I752 VanDerWaalsContact O-N 3.14Å
753L93.4Very high95.3Very high17 Ų1730.8 Ų30.89%0.08916%0.157CC..SBendtrans-93.4126.4-178.9-61.6-168.9000111.1L721 A749 Q757 Y811 W826L721-L753 HydrophobicContact CD2-CD1 3.63Å; L721-L753 HydrophobicContact CD2-CD2 3.94Å; L721-L753 HydrophobicContact CD2-CG 3.58Å; A749-L753 HydrophobicContact CB-CD1 4.19Å; A749-L753 HydrophobicContact CB-CG 4.34Å; A749-L753 PolarHBondContact O-N 3.25Å; L753-Q757 HydrophobicContact CB-CB 4.29Å; L753-Q757 HydrophobicContact CD2-CB 4.46Å; L753-Y811 VanDerWaalsContact O-CE1 3.3Å; L753-Y811 WeakPolarHBondContact O-CE1 3.35Å; L753-Y811 PolarHBondContact O-OH 3.14Å; L753-W826 PolarHBondContact O-NE1 2.77Å
754P93.1Very high95.2Very high20 Ų2033 Ų3313%0.1317%0.168CC..  trans-66.4159.7169.428.6-34.6000111.4E756 Q757 W758 T819 W826P754-E756 PolarHBondContact O-N 2.7Å; P754-Q757 HydrophobicContact CG-CB 4.07Å; P754-Q757 HydrophobicContact CG-CG 3.8Å; P754-Q757 PolarHBondContact O-N 3.47Å; P754-W758 PolarHBondContact O-N 3.18Å; P754-T819 HydrophobicContact CB-CG2 4.18Å; P754-W826 HydrophobicContact CB-CB 4.26Å; P754-W826 HydrophobicContact CB-CD2 4.06Å; P754-W826 HydrophobicContact CB-CE3 3.94Å; P754-W826 HydrophobicContact CB-CG 4.2Å
755P92.8Very high95.2Very high20 Ų2032.8 Ų32.813%0.1317%0.167CC..Hα-helixtrans-54.2-32.3-175.6-27.933.2000114.6R759 Y811 W826P755-R759 WeakPolarHBondContact O-CG 3.33Å; P755-R759 PolarHBondContact O-N 2.83Å; P755-Y811 HydrophobicContact CB-CD1 4.33Å; P755-Y811 HydrophobicContact CG-CD1 4.18Å; P755-W826 VanDerWaalsContact CD-CH2 3.46Å; P755-W826 VanDerWaalsContact CD-CZ3 3.4Å; P755-W826 HydrophobicContact CG-CH2 3.73Å; P755-W826 HydrophobicContact CG-CZ2 4.34Å; P755-W826 HydrophobicContact CG-CZ3 4.02Å
756E91.6Very high95.1Very high135 Ų13531.4 Ų31.463%0.63116%0.161SC*.Hα-helixtrans-67.6-41.5177-64.2174.6-173.400112.1P754 R759 A760P754-E756 PolarHBondContact O-N 2.7Å; E756-R759 PolarHBondContact O-N 3.2Å; E756-A760 PolarHBondContact O-N 3.38Å
757Q92.8Very high95.1Very high104 Ų10434.9 Ų34.949%0.48617%0.174SC..Hα-helixtrans-74.4-36.7177-68.6-178.820.900111.4L753 P754 R759 A760 T761L753-Q757 HydrophobicContact CB-CB 4.29Å; L753-Q757 HydrophobicContact CD2-CB 4.46Å; P754-Q757 HydrophobicContact CG-CB 4.07Å; P754-Q757 HydrophobicContact CG-CG 3.8Å; P754-Q757 PolarHBondContact O-N 3.47Å; Q757-R759 VanDerWaalsContact C-N 3.32Å; Q757-R759 PolarHBondContact O-N 2.83Å; Q757-A760 WeakPolarHBondContact O-CB 3.36Å; Q757-A760 PolarHBondContact O-N 3.25Å; Q757-A760 VanDerWaalsContact O-N 3.1Å; Q757-T761 PolarHBondContact O-N 3.07Å; Q757-T761 VanDerWaalsContact O-N 3.1Å; Q757-T761 PolarHBondContact O-OG1 3.32Å; Q757-T761 VanDerWaalsContact O-OG1 3.12Å
758W94.7Very high95Very high3 Ų335.1 Ų35.11%0.01118%0.175CC..Hα-helixtrans-54.9-48.6169169-109.2000111.1T746 A749 P754 A760 T761 R762 I765 W804 V807 D808 Y811T746-W758 HydrophobicContact CG2-CH2 4.18Å; T746-W758 HydrophobicContact CG2-CZ3 4.47Å; A749-W758 HydrophobicContact CB-CE3 4.36Å; A749-W758 HydrophobicContact CB-CZ3 4.38Å; P754-W758 PolarHBondContact O-N 3.18Å; W758-A760 PolarHBondContact O-N 2.99Å; W758-T761 PolarHBondContact O-N 2.89Å; W758-T761 PolarHBondContact O-OG1 3.48Å; W758-R762 HydrophobicContact CD2-CB 3.98Å; W758-R762 HydrophobicContact CE3-CB 4.43Å; W758-R762 HydrophobicContact CG-CB 4.5Å; W758-R762 HydrophobicContact CH2-CB 4.26Å; W758-R762 HydrophobicContact CZ2-CB 3.78Å; W758-R762 WeakPolarHBondContact O-CA 3.39Å; W758-R762 WeakPolarHBondContact O-CB 3.36Å; W758-R762 PolarHBondContact O-N 3.33Å; W758-I765 HydrophobicContact CE3-CD1 4.07Å; W758-I765 HydrophobicContact CH2-CD1 4.37Å; W758-I765 HydrophobicContact CH2-CG2 4.41Å; W758-I765 HydrophobicContact CZ3-CD1 3.48Å; W758-I765 VanDerWaalsContact CZ3-CD1 3.48Å; W758-I765 HydrophobicContact CZ3-CG2 4.46Å; W758-W804 HydrophobicContact CZ2-CZ2 4.39Å; W758-W804 AromaticContact CZ2-NE1 3.97Å; W758-V807 HydrophobicContact CH2-CB 4.33Å; W758-V807 HydrophobicContact CH2-CG1 3.59Å; W758-V807 HydrophobicContact CZ2-CB 4.44Å; W758-V807 HydrophobicContact CZ2-CG1 3.86Å; W758-V807 HydrophobicContact CZ3-CG1 4.04Å; W758-D808 HydrophobicContact CZ2-CB 4.43Å; W758-D808 PolarHBondContact NE1-OD1 3.48Å; W758-Y811 HydrophobicContact CB-CD1 4.16Å; W758-Y811 HydrophobicContact CB-CD2 4.16Å; W758-Y811 HydrophobicContact CB-CE1 3.76Å; W758-Y811 HydrophobicContact CB-CE2 3.74Å; W758-Y811 HydrophobicContact CB-CG 4.34Å; W758-Y811 VanDerWaalsContact CB-CZ 3.5Å; W758-Y811 AromaticContact CD1-CD2 3.43Å; W758-Y811 VanDerWaalsContact CD1-CD2 3.43Å; W758-Y811 AromaticContact CD1-CE2 3.8Å; W758-Y811 AromaticContact CD1-CG 3.72Å; W758-Y811 AromaticContact CD2-CD2 3.53Å; W758-Y811 HydrophobicContact CD2-CD2 3.53Å; W758-Y811 AromaticContact CD2-CE2 3.15Å; W758-Y811 HydrophobicContact CD2-CE2 3.15Å; W758-Y811 HydrophobicContact CD2-CG 4.46Å; W758-Y811 AromaticContact CD2-CZ 3.85Å; W758-Y811 AromaticContact CE2-CD2 3.6Å; W758-Y811 AromaticContact CE2-CE2 3.69Å; W758-Y811 HydrophobicContact CE3-CD2 4.22Å; W758-Y811 AromaticContact CE3-CE2 3.42Å; W758-Y811 HydrophobicContact CE3-CE2 3.42Å; W758-Y811 VanDerWaalsContact CE3-CE2 3.42Å; W758-Y811 HydrophobicContact CG-CD1 4.24Å; W758-Y811 AromaticContact CG-CD2 3.44Å; W758-Y811 HydrophobicContact CG-CD2 3.44Å; W758-Y811 VanDerWaalsContact CG-CD2 3.44Å; W758-Y811 HydrophobicContact CG-CE1 4.12Å; W758-Y811 AromaticContact CG-CE2 3.28Å; W758-Y811 HydrophobicContact CG-CE2 3.28Å; W758-Y811 AromaticContact CG-CG 3.92Å; W758-Y811 HydrophobicContact CG-CG 3.92Å; W758-Y811 AromaticContact CG-CZ 3.62Å; W758-Y811 HydrophobicContact CZ2-CD2 4.36Å; W758-Y811 HydrophobicContact CZ2-CE2 4.38Å; W758-Y811 HydrophobicContact CZ3-CE2 4.12Å; W758-Y811 AromaticContact NE1-CD2 3.54Å
759R93.5Very high95Very high145 Ų14535.1 Ų35.155%0.54718%0.175SC..Hα-helixtrans-57.4-33.8176.7-75.7176.2-175.7-178.62.5113.2P755 E756 Q757P755-R759 WeakPolarHBondContact O-CG 3.33Å; P755-R759 PolarHBondContact O-N 2.83Å; E756-R759 PolarHBondContact O-N 3.2Å; Q757-R759 VanDerWaalsContact C-N 3.32Å; Q757-R759 PolarHBondContact O-N 2.83Å
760A93.7Very high95Very high87 Ų8735.1 Ų35.172%0.71918%0.175SC*.Hα-helixtrans-74.3-27.6177.300000113.6E756 Q757 W758E756-A760 PolarHBondContact O-N 3.38Å; Q757-A760 WeakPolarHBondContact O-CB 3.36Å; Q757-A760 PolarHBondContact O-N 3.25Å; Q757-A760 VanDerWaalsContact O-N 3.1Å; W758-A760 PolarHBondContact O-N 2.99Å
761T95Very high95Very high30 Ų3035 Ų3518%0.18417%0.174CC..Hα-helixtrans-109-14.4-174.259.80000114.3L725 Q757 W758 V763 E764 I765L725-T761 HydrophobicContact CD1-CG2 4.02Å; Q757-T761 PolarHBondContact O-N 3.07Å; Q757-T761 VanDerWaalsContact O-N 3.1Å; Q757-T761 PolarHBondContact O-OG1 3.32Å; Q757-T761 VanDerWaalsContact O-OG1 3.12Å; W758-T761 PolarHBondContact O-N 2.89Å; W758-T761 PolarHBondContact O-OG1 3.48Å; T761-V763 VanDerWaalsContact C-N 3.27Å; T761-V763 PolarHBondContact O-N 3.3Å; T761-V763 VanDerWaalsContact O-N 3.15Å; T761-E764 WeakPolarHBondContact O-CB 3.24Å; T761-E764 PolarHBondContact O-N 3.33Å; T761-I765 PolarHBondContact O-N 2.77Å
762R95.2Very high95.1Very high25 Ų2535 Ų359%0.09418%0.175CC..Hα-helixtrans-57.4-33.8-171.967.5-178.6-178.1160.86.2114.3W758 L766 W804 D808 G870 E874W758-R762 HydrophobicContact CD2-CB 3.98Å; W758-R762 HydrophobicContact CE3-CB 4.43Å; W758-R762 HydrophobicContact CG-CB 4.5Å; W758-R762 HydrophobicContact CH2-CB 4.26Å; W758-R762 HydrophobicContact CZ2-CB 3.78Å; W758-R762 WeakPolarHBondContact O-CA 3.39Å; W758-R762 WeakPolarHBondContact O-CB 3.36Å; W758-R762 PolarHBondContact O-N 3.33Å; R762-L766 WeakPolarHBondContact O-CB 3.48Å; R762-L766 PolarHBondContact O-N 3.43Å; R762-W804 HydrophobicContact CB-CZ2 3.74Å; R762-W804 HydrophobicContact CG-CZ2 3.92Å; R762-W804 PolarHBondContact O-NE1 2.76Å; R762-D808 IonicContact NH1-OD1 3.47Å; R762-D808 PolarHBondContact NH1-OD1 2.91Å; R762-G870 PolarHBondContact NH2-O 2.94Å; R762-E874 IonicContact CZ-OE1 2.88Å; R762-E874 IonicContact NE-OE1 2.92Å; R762-E874 PolarHBondContact NE-OE1 3.29Å; R762-E874 IonicContact NE-OE2 3.53Å; R762-E874 IonicContact NH2-OE1 3.74Å; R762-E874 PolarHBondContact NH2-OE1 3Å
763V95.9Very high95.2Very high13 Ų1335.1 Ų35.18%0.07918%0.176CC..Hα-helixtrans-71.3-37.1176.7176.80000111.3T761 L766 R767 L871 E874 I875 F881T761-V763 VanDerWaalsContact C-N 3.27Å; T761-V763 PolarHBondContact O-N 3.3Å; T761-V763 VanDerWaalsContact O-N 3.15Å; V763-L766 WeakPolarHBondContact O-CB 3.47Å; V763-L766 PolarHBondContact O-N 3.4Å; V763-R767 WeakPolarHBondContact O-CG 3.21Å; V763-R767 PolarHBondContact O-N 3.02Å; V763-L871 HydrophobicContact CG2-CD2 4.04Å; V763-E874 HydrophobicContact CG2-CB 4.04Å; V763-E874 WeakPolarHBondContact CG2-OE2 3.47Å; V763-I875 HydrophobicContact CG1-CD1 4.19Å; V763-I875 HydrophobicContact CG1-CG1 4.23Å; V763-F881 HydrophobicContact CG1-CZ 4.44Å
764E95.8Very high95.3Very high52 Ų5234.3 Ų34.324%0.24317%0.172CC..Hα-helixtrans-67.7-42.5176.8-169.757.3-156.600110.8W732 T761 L766 R767 R768W732-E764 WeakPolarHBondContact CH2-OE1 3.27Å; W732-E764 WeakPolarHBondContact CZ2-OE1 3.08Å; T761-E764 WeakPolarHBondContact O-CB 3.24Å; T761-E764 PolarHBondContact O-N 3.33Å; E764-L766 VanDerWaalsContact C-N 3.31Å; E764-L766 PolarHBondContact O-N 3.4Å; E764-R767 WeakPolarHBondContact O-CB 3.12Å; E764-R767 PolarHBondContact O-N 3.2Å; E764-R767 VanDerWaalsContact O-N 3.16Å; E764-R767 IonicContact OE2-CZ 3.87Å; E764-R767 IonicContact OE2-NH1 3.65Å; E764-R767 PolarHBondContact OE2-NH1 3.05Å; E764-R768 WeakPolarHBondContact O-CG 3.24Å; E764-R768 PolarHBondContact O-N 2.99Å; E764-R768 VanDerWaalsContact O-N 3.09Å
765I97.1Very high95.4Very high1 Ų133.4 Ų33.41%0.00517%0.166CC..Hα-helixtrans-60.8-41.8172.9-67.5173.9000111L725 T746 W758 T761 R767 R768 L769L725-I765 HydrophobicContact CD2-CG1 3.99Å; T746-I765 HydrophobicContact CG2-CG2 3.83Å; T746-I765 WeakPolarHBondContact OG1-CG2 3.15Å; W758-I765 HydrophobicContact CE3-CD1 4.07Å; W758-I765 HydrophobicContact CH2-CD1 4.37Å; W758-I765 HydrophobicContact CH2-CG2 4.41Å; W758-I765 HydrophobicContact CZ3-CD1 3.48Å; W758-I765 VanDerWaalsContact CZ3-CD1 3.48Å; W758-I765 HydrophobicContact CZ3-CG2 4.46Å; T761-I765 PolarHBondContact O-N 2.77Å; I765-R767 VanDerWaalsContact C-N 3.33Å; I765-R767 PolarHBondContact O-N 2.97Å; I765-R768 WeakPolarHBondContact O-CB 3.35Å; I765-R768 PolarHBondContact O-N 3.37Å; I765-R768 VanDerWaalsContact O-N 3.14Å; I765-L769 HydrophobicContact CG2-CD1 4.27Å; I765-L769 WeakPolarHBondContact O-CG 3.42Å; I765-L769 PolarHBondContact O-N 3.1Å
766L97.4Very high95.4Very high0 Ų034.1 Ų34.10%017%0.166CC..Hα-helixtrans-58.4-43.6174.5-178.361.9000111.8R762 V763 E764 R768 L769 L770 L801 W804 F865 L866 L871 I875R762-L766 WeakPolarHBondContact O-CB 3.48Å; R762-L766 PolarHBondContact O-N 3.43Å; V763-L766 WeakPolarHBondContact O-CB 3.47Å; V763-L766 PolarHBondContact O-N 3.4Å; E764-L766 VanDerWaalsContact C-N 3.31Å; E764-L766 PolarHBondContact O-N 3.4Å; L766-R768 VanDerWaalsContact C-N 3.32Å; L766-R768 PolarHBondContact O-N 3.3Å; L766-L769 PolarHBondContact O-N 2.95Å; L766-L770 HydrophobicContact CD1-CD1 4.37Å; L766-L770 HydrophobicContact CD1-CG 4.35Å; L766-L770 HydrophobicContact CG-CD1 4.04Å; L766-L770 HydrophobicContact CG-CG 4.47Å; L766-L770 VanDerWaalsContact O-CG 3.3Å; L766-L770 WeakPolarHBondContact O-CG 3.37Å; L766-L770 PolarHBondContact O-N 3.02Å; L766-L801 HydrophobicContact CD1-CD2 3.73Å; L766-W804 HydrophobicContact CD1-CB 4.35Å; L766-W804 HydrophobicContact CD1-CD2 4.41Å; L766-W804 HydrophobicContact CD1-CG 4.03Å; L766-F865 HydrophobicContact CD1-CE1 4.49Å; L766-L866 HydrophobicContact CD2-CD2 4.28Å; L766-L871 HydrophobicContact CD2-CD1 3.64Å; L766-I875 HydrophobicContact CD2-CD1 4.25Å
767R96.8Very high95.5Very high74 Ų7430.2 Ų30.228%0.27916%0.157SC..Hα-helixtrans-58.1-43.7174.9-71178.6-174.5118.44.4111.7W732 V763 E764 I765 L770 V771 F881 L885W732-R767 HydrophobicContact CH2-CB 4.37Å; W732-R767 HydrophobicContact CZ3-CB 4.18Å; V763-R767 WeakPolarHBondContact O-CG 3.21Å; V763-R767 PolarHBondContact O-N 3.02Å; E764-R767 WeakPolarHBondContact O-CB 3.12Å; E764-R767 PolarHBondContact O-N 3.2Å; E764-R767 VanDerWaalsContact O-N 3.16Å; E764-R767 IonicContact OE2-CZ 3.87Å; E764-R767 IonicContact OE2-NH1 3.65Å; E764-R767 PolarHBondContact OE2-NH1 3.05Å; I765-R767 VanDerWaalsContact C-N 3.33Å; I765-R767 PolarHBondContact O-N 2.97Å; R767-L770 PolarHBondContact O-N 3.18Å; R767-V771 WeakPolarHBondContact O-CG2 3.23Å; R767-V771 PolarHBondContact O-N 2.89Å; R767-F881 HydrophobicContact CG-CE1 4.27Å; R767-F881 HydrophobicContact CG-CE2 4.41Å; R767-F881 HydrophobicContact CG-CZ 3.6Å; R767-L885 HydrophobicContact CB-CD1 3.78Å; R767-L885 HydrophobicContact CB-CD2 4.04Å; R767-L885 HydrophobicContact CG-CD1 3.93Å; R767-L885 HydrophobicContact CG-CD2 4.1Å
768R97.2Very high95.5Very high4 Ų427 Ų272%0.01514%0.144CC..Hα-helixtrans-62.2-42.8177.8-62.5-63.3-63.4-111.1-3.4112.2F724 S735 P742 E764 I765 L766 T772F724-R768 HydrophobicContact CE1-CG 4.37Å; F724-R768 HydrophobicContact CZ-CB 4.02Å; F724-R768 HydrophobicContact CZ-CG 3.88Å; F724-R768 PolarHBondContact O-NH1 2.72Å; S735-R768 PolarHBondContact OG-NH2 3.4Å; P742-R768 HydrophobicContact CB-CB 4.11Å; P742-R768 HydrophobicContact CG-CB 4.3Å; E764-R768 WeakPolarHBondContact O-CG 3.24Å; E764-R768 PolarHBondContact O-N 2.99Å; E764-R768 VanDerWaalsContact O-N 3.09Å; I765-R768 WeakPolarHBondContact O-CB 3.35Å; I765-R768 PolarHBondContact O-N 3.37Å; I765-R768 VanDerWaalsContact O-N 3.14Å; L766-R768 VanDerWaalsContact C-N 3.32Å; L766-R768 PolarHBondContact O-N 3.3Å; R768-T772 WeakPolarHBondContact O-CB 3.31Å; R768-T772 PolarHBondContact O-N 3.37Å; R768-T772 PolarHBondContact O-OG1 2.83Å
769L97.9Very high95.3Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-66.6-40.4177.3-67.5173.6000112.3P742 Y743 T746 I765 L766 T772 S773 S800 F803 W804P742-L769 HydrophobicContact CB-CD2 4.01Å; Y743-L769 HydrophobicContact CD1-CD2 3.65Å; Y743-L769 HydrophobicContact CD2-CD2 4.39Å; Y743-L769 HydrophobicContact CE1-CD2 3.79Å; Y743-L769 HydrophobicContact CG-CD2 3.97Å; T746-L769 HydrophobicContact CG2-CD1 4.5Å; I765-L769 HydrophobicContact CG2-CD1 4.27Å; I765-L769 WeakPolarHBondContact O-CG 3.42Å; I765-L769 PolarHBondContact O-N 3.1Å; L766-L769 PolarHBondContact O-N 2.95Å; L769-T772 WeakPolarHBondContact O-CB 3.39Å; L769-T772 PolarHBondContact O-N 3.34Å; L769-S773 PolarHBondContact O-N 3.21Å; L769-S800 PolarHBondContact O-OG 3.39Å; L769-F803 HydrophobicContact CD1-CD1 4.42Å; L769-W804 HydrophobicContact CD1-CB 3.9Å; L769-W804 HydrophobicContact CD1-CG 4.37Å
770L96.9Very high94.9Very high0 Ų024.9 Ų24.90%015%0.151CC..Hα-helixtrans-64.1-42.4177.1-72.1170.5000112.4L766 R767 T772 S773 Q774 Y797 L801 F862 F881 L882 L885L766-L770 HydrophobicContact CD1-CD1 4.37Å; L766-L770 HydrophobicContact CD1-CG 4.35Å; L766-L770 HydrophobicContact CG-CD1 4.04Å; L766-L770 HydrophobicContact CG-CG 4.47Å; L766-L770 VanDerWaalsContact O-CG 3.3Å; L766-L770 WeakPolarHBondContact O-CG 3.37Å; L766-L770 PolarHBondContact O-N 3.02Å; R767-L770 PolarHBondContact O-N 3.18Å; L770-T772 VanDerWaalsContact C-N 3.3Å; L770-T772 PolarHBondContact O-N 3.13Å; L770-S773 PolarHBondContact O-N 3.32Å; L770-Q774 PolarHBondContact O-N 2.8Å; L770-Y797 HydrophobicContact CD2-CD1 3.86Å; L770-Y797 HydrophobicContact CD2-CG 4.1Å; L770-L801 HydrophobicContact CD2-CD2 4.05Å; L770-L801 HydrophobicContact CD2-CG 4.37Å; L770-F862 HydrophobicContact CD1-CE2 3.96Å; L770-F862 HydrophobicContact CD1-CZ 3.99Å; L770-F862 HydrophobicContact CD2-CE2 4.26Å; L770-F881 HydrophobicContact CD1-CD1 4.47Å; L770-F881 HydrophobicContact CD1-CE1 3.84Å; L770-L882 HydrophobicContact CB-CD2 4.29Å; L770-L882 HydrophobicContact CD1-CD2 3.79Å; L770-L882 HydrophobicContact CD2-CD2 3.92Å; L770-L882 HydrophobicContact CG-CD2 4.21Å; L770-L885 HydrophobicContact CB-CD2 3.83Å; L770-L885 HydrophobicContact CD1-CD2 4.07Å
771V96.4Very high94.3Very high0 Ų024 Ų240%015%0.151CC..Hα-helixtrans-64.3-37.7173.9171.60000110.9W732 R767 Q774 A775 L885 V889W732-V771 HydrophobicContact CB-CG1 4.19Å; W732-V771 HydrophobicContact CE3-CB 4.42Å; W732-V771 HydrophobicContact CE3-CG2 4.02Å; W732-V771 HydrophobicContact CZ3-CG2 4.34Å; R767-V771 WeakPolarHBondContact O-CG2 3.23Å; R767-V771 PolarHBondContact O-N 2.89Å; V771-Q774 PolarHBondContact O-N 3.45Å; V771-A775 WeakPolarHBondContact O-CB 3.43Å; V771-A775 PolarHBondContact O-N 3.24Å; V771-L885 HydrophobicContact CG2-CD1 3.94Å; V771-L885 HydrophobicContact CG2-CD2 4.12Å; V771-L885 HydrophobicContact CG2-CG 3.89Å; V771-V889 HydrophobicContact CG1-CG1 4.23Å; V771-V889 HydrophobicContact CG1-CG2 4.32Å; V771-V889 HydrophobicContact CG2-CG2 3.92Å
772T96.1Very high93.9Very high1 Ų123.7 Ų23.71%0.00615%0.153CC..Hα-helixtrans-61.8-46.2175-60.40000111.6A736 P742 Y743 R768 L769 L770 A775 R776A736-T772 HydrophobicContact CB-CG2 3.88Å; P742-T772 WeakPolarHBondContact CG-OG1 3.47Å; Y743-T772 HydrophobicContact CD2-CG2 4.28Å; Y743-T772 HydrophobicContact CE2-CG2 3.78Å; R768-T772 WeakPolarHBondContact O-CB 3.31Å; R768-T772 PolarHBondContact O-N 3.37Å; R768-T772 PolarHBondContact O-OG1 2.83Å; L769-T772 WeakPolarHBondContact O-CB 3.39Å; L769-T772 PolarHBondContact O-N 3.34Å; L770-T772 VanDerWaalsContact C-N 3.3Å; L770-T772 PolarHBondContact O-N 3.13Å; T772-A775 PolarHBondContact O-N 3.37Å; T772-R776 WeakPolarHBondContact O-CB 3.38Å; T772-R776 VanDerWaalsContact O-CG 3.31Å; T772-R776 WeakPolarHBondContact O-CG 3.31Å; T772-R776 PolarHBondContact O-N 2.9Å
773S95.8Very high93.5Very high6 Ų623.3 Ų23.34%0.04216%0.156CC..Hα-helixtrans-59.7-46.4174.8-79.40000112.2L769 L770 R776 A777 A796 S800L769-S773 PolarHBondContact O-N 3.21Å; L770-S773 PolarHBondContact O-N 3.32Å; S773-R776 PolarHBondContact O-N 3.11Å; S773-A777 VanDerWaalsContact O-CB 3.28Å; S773-A777 WeakPolarHBondContact O-CB 3.42Å; S773-A777 PolarHBondContact O-N 3.11Å; S773-A796 WeakPolarHBondContact CB-O 3.3Å; S773-S800 WeakPolarHBondContact OG-CB 3.38Å; S773-S800 PolarHBondContact OG-OG 3.47Å
774Q95.4Very high93Very high0 Ų026.8 Ų26.80%018%0.177CC..Hα-helixtrans-59.9-49.9176.4-175.973.910.900111.6L770 V771 R776 A777 V778 L786 D788 A790 Y797 L886L770-Q774 PolarHBondContact O-N 2.8Å; V771-Q774 PolarHBondContact O-N 3.45Å; Q774-R776 VanDerWaalsContact C-N 3.33Å; Q774-R776 PolarHBondContact O-N 3.4Å; Q774-A777 PolarHBondContact O-N 3.11Å; Q774-V778 HydrophobicContact CG-CG2 4.33Å; Q774-V778 WeakPolarHBondContact O-CB 3.31Å; Q774-V778 WeakPolarHBondContact O-CG2 3.38Å; Q774-V778 PolarHBondContact O-N 3.46Å; Q774-L786 HydrophobicContact CB-CD2 4.44Å; Q774-L786 HydrophobicContact CG-CD1 4.34Å; Q774-L786 HydrophobicContact CG-CD2 3.94Å; Q774-D788 PolarHBondContact NE2-O 3.24Å; Q774-A790 PolarHBondContact NE2-O 2.56Å; Q774-Y797 HydrophobicContact CB-CE1 4.27Å; Q774-Y797 PolarHBondContact OE1-OH 3.43Å; Q774-L886 HydrophobicContact CB-CD2 3.72Å; Q774-L886 HydrophobicContact CG-CD1 4.02Å; Q774-L886 HydrophobicContact CG-CD2 3.66Å; Q774-L886 HydrophobicContact CG-CG 4.48Å
775A94.8Very high92.7Very high1 Ų132.3 Ų32.31%0.00820%0.196CC..Hα-helixtrans-58.9-45.5-177.800000111.3V733 A736 F737 V771 T772 V778 A779 L786V733-A775 HydrophobicContact CG1-CB 3.91Å; A736-A775 HydrophobicContact CB-CB 3.94Å; F737-A775 HydrophobicContact CE2-CB 4.14Å; F737-A775 HydrophobicContact CZ-CB 4.15Å; V771-A775 WeakPolarHBondContact O-CB 3.43Å; V771-A775 PolarHBondContact O-N 3.24Å; T772-A775 PolarHBondContact O-N 3.37Å; A775-V778 PolarHBondContact O-N 2.89Å; A775-A779 CarbonylContact O-C 3.53Å; A775-A779 WeakPolarHBondContact O-CA 3.5Å; A775-A779 PolarHBondContact O-N 3.25Å; A775-L786 HydrophobicContact CB-CD2 4.04Å
776R93.8Very high92.3Very high35 Ų3532.8 Ų32.813%0.13220%0.198CC..Hα-helixtrans-68.6-34.3178.4-69.8175.6-177.1-157.65.1112.8E572 M574 A736 F737 T772 S773 Q774 P780E572-R776 IonicContact OE1-CZ 2.88Å; E572-R776 IonicContact OE1-NH1 3.49Å; E572-R776 PolarHBondContact OE1-NH1 3.17Å; E572-R776 IonicContact OE1-NH2 3.58Å; E572-R776 PolarHBondContact OE1-NH2 3.45Å; E572-R776 IonicContact OE2-CZ 2.84Å; E572-R776 IonicContact OE2-NH1 3.12Å; E572-R776 IonicContact OE2-NH2 3.36Å; E572-R776 PolarHBondContact OE2-NH2 2.91Å; M574-R776 HydrophobicContact CB-CG 4.5Å; M574-R776 HydrophobicContact CE-CB 4.2Å; M574-R776 HydrophobicContact CE-CG 4.27Å; M574-R776 HydrophobicContact CG-CG 4.36Å; A736-R776 VanDerWaalsContact O-CZ 3.25Å; A736-R776 PolarHBondContact O-NE 3.03Å; A736-R776 PolarHBondContact O-NH2 3.37Å; F737-R776 HydrophobicContact CE1-CG 3.97Å; F737-R776 HydrophobicContact CZ-CG 4.44Å; T772-R776 WeakPolarHBondContact O-CB 3.38Å; T772-R776 VanDerWaalsContact O-CG 3.31Å; T772-R776 WeakPolarHBondContact O-CG 3.31Å; T772-R776 PolarHBondContact O-N 2.9Å; S773-R776 PolarHBondContact O-N 3.11Å; Q774-R776 VanDerWaalsContact C-N 3.33Å; Q774-R776 PolarHBondContact O-N 3.4Å; R776-P780 WeakPolarHBondContact O-CA 3.39Å
777A93.1Very high91.7Very high54 Ų5438.4 Ų38.445%0.44623%0.233SC..Hα-helixtrans-70.7-37.1177.200000112.7S773 Q774 A796S773-A777 VanDerWaalsContact O-CB 3.28Å; S773-A777 WeakPolarHBondContact O-CB 3.42Å; S773-A777 PolarHBondContact O-N 3.11Å; Q774-A777 PolarHBondContact O-N 3.11Å; A777-A796 HydrophobicContact CB-CB 4.32Å
778V92.6Very high91.3Very high36 Ų3637.5 Ų37.522%0.21823%0.233CC..Hα-helixtrans-87.9-36-176.6176.20000112.2Q774 A775 T787 D788Q774-V778 HydrophobicContact CG-CG2 4.33Å; Q774-V778 WeakPolarHBondContact O-CB 3.31Å; Q774-V778 WeakPolarHBondContact O-CG2 3.38Å; Q774-V778 PolarHBondContact O-N 3.46Å; A775-V778 PolarHBondContact O-N 2.89Å; V778-T787 WeakPolarHBondContact CG1-OG1 3.46Å; V778-D788 HydrophobicContact CG1-CB 3.68Å; V778-D788 HydrophobicContact CG2-CB 4.05Å
779A90.1Very high91.1Very high19 Ų1940.3 Ų40.316%0.15725%0.246CC..  trans-136.573.2-176.400000110.9F737 A775 G781 G782 A783F737-A779 WeakPolarHBondContact CE1-O 3.37Å; F737-A779 VanDerWaalsContact CZ-O 3.24Å; F737-A779 WeakPolarHBondContact CZ-O 3.47Å; A775-A779 CarbonylContact O-C 3.53Å; A775-A779 WeakPolarHBondContact O-CA 3.5Å; A775-A779 PolarHBondContact O-N 3.25Å; A779-G781 PolarHBondContact O-N 3.07Å; A779-G781 VanDerWaalsContact O-N 3.14Å; A779-G782 PolarHBondContact O-N 3.35Å; A779-G782 VanDerWaalsContact O-N 3.09Å; A779-A783 HydrophobicContact CB-CB 3.64Å
780P84.9Confident90.9Very high84 Ų8442.9 Ų42.955%0.54527%0.267SS..THydrogen-bonded Turntrans-63.1-21-177.922.8-32.4000113.7M574 R776 G782M574-P780 VanDerWaalsContact CE-CA 3.46Å; M574-P780 HydrophobicContact CE-CB 3.67Å; M574-P780 WeakPolarHBondContact CE-O 3.36Å; R776-P780 WeakPolarHBondContact O-CA 3.39Å; P780-G782 VanDerWaalsContact C-N 3.28Å; P780-G782 PolarHBondContact O-N 3.16Å
781G81.9Confident90.6Very high70 Ų7046 Ų4672%0.72229%0.286SS*.THydrogen-bonded Turntrans-83.910.3175.400000115.4A779A779-G781 PolarHBondContact O-N 3.07Å; A779-G781 VanDerWaalsContact O-N 3.14Å
782G86Confident90.5Very high22 Ų2249.5 Ų49.523%0.22730%0.301CS..  trans95.8143.2-176.900000113.3A779 P780A779-G782 PolarHBondContact O-N 3.35Å; A779-G782 VanDerWaalsContact O-N 3.09Å; P780-G782 VanDerWaalsContact C-N 3.28Å; P780-G782 PolarHBondContact O-N 3.16Å
783A86.5Confident90.4Very high18 Ų1855.7 Ų55.715%0.14933%0.334CS..  trans-153.2155.3176.200000111.8V733 F737 A779V733-A783 HydrophobicContact CG1-CB 4.12Å; F737-A783 HydrophobicContact CE2-CB 4.18Å; A779-A783 HydrophobicContact CB-CB 3.64Å
784T86.4Confident90.2Very high86 Ų8657 Ų5753%0.52834%0.339SS..SBendtrans-103.7-11.1171.554.60000112.7
785R89.1Confident90.1Very high167 Ų16761.4 Ų61.463%0.6337%0.369SS*.SBendtrans-148157.3179.8-61.5-174.7-174.9-179.90.3110.7T787R785-T787 PolarHBondContact O-N 3.22Å
786L89.1Confident90.1Very high12 Ų1262.7 Ų62.76%0.06338%0.38CS..  trans-78.8113.6176.1-68.3178.1000110.4V733 Q774 A775 D788 K789 L886 V889 P890V733-L786 HydrophobicContact CG1-CD2 4.4Å; V733-L786 HydrophobicContact CG2-CD2 4.2Å; V733-L786 HydrophobicContact CG2-CG 3.86Å; Q774-L786 HydrophobicContact CB-CD2 4.44Å; Q774-L786 HydrophobicContact CG-CD1 4.34Å; Q774-L786 HydrophobicContact CG-CD2 3.94Å; A775-L786 HydrophobicContact CB-CD2 4.04Å; L786-D788 VanDerWaalsContact C-N 3.32Å; L786-K789 HydrophobicContact CB-CG 4.06Å; L786-K789 HydrophobicContact CD1-CG 4.46Å; L786-L886 HydrophobicContact CD1-CD2 4.07Å; L786-V889 HydrophobicContact CD1-CB 4.33Å; L786-V889 HydrophobicContact CD1-CG1 4.35Å; L786-P890 PolarHBondContact N-O 2.64Å
787T84.3Confident90.2Very high117 Ų11761.2 Ų61.272%0.71837%0.374SS*.SBendtrans-74.3-25.4173.851.40000112.4V778 R785V778-T787 WeakPolarHBondContact CG1-OG1 3.46Å; R785-T787 PolarHBondContact O-N 3.22Å
788D89.4Confident90.4Very high55 Ų5561.3 Ų61.329%0.29436%0.363SS..  trans-135.4117.7175.8-175.42.6000110.9Q774 V778 L786 A790 K792Q774-D788 PolarHBondContact NE2-O 3.24Å; V778-D788 HydrophobicContact CG1-CB 3.68Å; V778-D788 HydrophobicContact CG2-CB 4.05Å; L786-D788 VanDerWaalsContact C-N 3.32Å; D788-A790 WeakPolarHBondContact OD1-CB 3.42Å; D788-A790 PolarHBondContact OD1-N 3.21Å; D788-K792 WeakPolarHBondContact OD2-CE 3.46Å; D788-K792 IonicContact OD2-NZ 2.74Å; D788-K792 PolarHBondContact OD2-NZ 3.26Å
789K92.4Very high90.5Very high64 Ų6460.9 Ų60.928%0.27836%0.361SS..  trans-98.62.5179.9-59.3-174.4-176.5-169.80113L786 V791 L886 V889 P890L786-K789 HydrophobicContact CB-CG 4.06Å; L786-K789 HydrophobicContact CD1-CG 4.46Å; K789-V791 PolarHBondContact O-N 3.03Å; K789-L886 HydrophobicContact CB-CB 4.46Å; K789-L886 WeakPolarHBondContact O-CD1 3.49Å; K789-V889 WeakPolarHBondContact CE-O 3.45Å; K789-V889 PolarHBondContact NZ-O 2.6Å; K789-P890 VanDerWaalsContact CE-OXT 3.31Å; K789-P890 WeakPolarHBondContact CE-OXT 3.27Å; K789-P890 VanDerWaalsContact NZ-C 3.3Å; K789-P890 PolarHBondContact NZ-OXT 3.46Å
790A92.8Very high90.9Very high53 Ų5360 Ų6044%0.43835%0.354SS..SBendtrans-67.2131.4172.800000110.1Q774 D788 K792Q774-A790 PolarHBondContact NE2-O 2.56Å; D788-A790 WeakPolarHBondContact OD1-CB 3.42Å; D788-A790 PolarHBondContact OD1-N 3.21Å; A790-K792 PolarHBondContact O-N 2.81Å
791V92.5Very high91.5Very high67 Ų6756 Ų5641%0.40633%0.328SS..PPolyproline II helixtrans-59.6131.6175.5-178.70000108.9K789 Y797 L882 K883 L886K789-V791 PolarHBondContact O-N 3.03Å; V791-Y797 HydrophobicContact CG1-CE2 4.18Å; V791-L882 HydrophobicContact CG1-CB 4.25Å; V791-L882 HydrophobicContact CG1-CD1 4.12Å; V791-L882 HydrophobicContact CG2-CB 4.07Å; V791-K883 HydrophobicContact CG2-CB 4.15Å; V791-L886 HydrophobicContact CG2-CD1 4.17Å
792K93.8Very high92.3Very high73 Ų7352.6 Ų52.632%0.31729%0.294SS..PPolyproline II helixtrans-91.1172.8179.2-59.3-59.4178.3-176.40111.2D788 A790 A796 Y797D788-K792 WeakPolarHBondContact OD2-CE 3.46Å; D788-K792 IonicContact OD2-NZ 2.74Å; D788-K792 PolarHBondContact OD2-NZ 3.26Å; A790-K792 PolarHBondContact O-N 2.81Å; K792-A796 HydrophobicContact CB-CB 3.77Å; K792-Y797 HydrophobicContact CB-CE2 4.16Å; K792-Y797 PolarHBondContact N-OH 3.24Å; K792-Y797 WeakPolarHBondContact O-CE2 3.43Å
793D92.8Very high92.9Very high130 Ų13051.6 Ų51.670%0.69528%0.283SS*.PPolyproline II helixtrans-61152.9174-68.5-49000111.4S795 A796D793-S795 PolarHBondContact O-N 2.85Å; D793-A796 VanDerWaalsContact O-CB 3.31Å; D793-A796 WeakPolarHBondContact O-CB 3.36Å; D793-A796 PolarHBondContact O-N 2.96Å
794Y93.1Very high93.4Very high35 Ų3550.7 Ų50.714%0.13728%0.276CS..Hα-helixtrans-52-34-179.6175.2-100.8000112.9A796 Y797 R798 L801 V859 E860 T861 F862Y794-A796 PolarHBondContact O-N 2.85Å; Y794-A796 VanDerWaalsContact O-N 3.15Å; Y794-Y797 PolarHBondContact O-N 2.99Å; Y794-R798 HydrophobicContact CD1-CB 4.17Å; Y794-R798 HydrophobicContact CD1-CG 4.49Å; Y794-R798 HydrophobicContact CE1-CB 3.8Å; Y794-R798 HydrophobicContact CE1-CG 3.75Å; Y794-R798 WeakPolarHBondContact O-CB 3.31Å; Y794-R798 PolarHBondContact O-N 3.35Å; Y794-L801 HydrophobicContact CD2-CD1 4.12Å; Y794-L801 HydrophobicContact CE2-CD1 3.47Å; Y794-L801 VanDerWaalsContact CE2-CD1 3.47Å; Y794-V859 VanDerWaalsContact CE1-O 3.26Å; Y794-V859 WeakPolarHBondContact CE1-O 3.22Å; Y794-V859 HydrophobicContact CE2-CG1 4.31Å; Y794-V859 WeakPolarHBondContact OH-CG1 3.35Å; Y794-E860 WeakPolarHBondContact CB-O 3.24Å; Y794-E860 WeakPolarHBondContact CD1-O 3.37Å; Y794-E860 VanDerWaalsContact CG-O 3.23Å; Y794-T861 VanDerWaalsContact CD2-C 3.42Å; Y794-T861 VanDerWaalsContact CE2-C 3.47Å; Y794-T861 WeakPolarHBondContact CE2-O 3.45Å; Y794-F862 HydrophobicContact CD2-CB 4.49Å
795S93.5Very high94Very high92 Ų9246.6 Ų46.664%0.64325%0.251SS*.Hα-helixtrans-54.9-31.1176.158.20000113.6D793 Y797D793-S795 PolarHBondContact O-N 2.85Å; S795-Y797 VanDerWaalsContact C-N 3.32Å; S795-Y797 PolarHBondContact O-N 3.11Å
796A94.1Very high94.4Very high28 Ų2838.8 Ų38.823%0.23122%0.221CC..Hα-helixtrans-70.4-27.517800000112.8S773 A777 K792 D793 Y794S773-A796 WeakPolarHBondContact CB-O 3.3Å; A777-A796 HydrophobicContact CB-CB 4.32Å; K792-A796 HydrophobicContact CB-CB 3.77Å; D793-A796 VanDerWaalsContact O-CB 3.31Å; D793-A796 WeakPolarHBondContact O-CB 3.36Å; D793-A796 PolarHBondContact O-N 2.96Å; Y794-A796 PolarHBondContact O-N 2.85Å; Y794-A796 VanDerWaalsContact O-N 3.15Å
797Y96.1Very high94.9Very high3 Ų338.2 Ų38.21%0.01222%0.218CC..Hα-helixtrans-104-17.1-179-51.1-73.8000113.2L770 Q774 V791 K792 Y794 S795 S799 S800 L801 L882L770-Y797 HydrophobicContact CD2-CD1 3.86Å; L770-Y797 HydrophobicContact CD2-CG 4.1Å; Q774-Y797 HydrophobicContact CB-CE1 4.27Å; Q774-Y797 PolarHBondContact OE1-OH 3.43Å; V791-Y797 HydrophobicContact CG1-CE2 4.18Å; K792-Y797 HydrophobicContact CB-CE2 4.16Å; K792-Y797 PolarHBondContact N-OH 3.24Å; K792-Y797 WeakPolarHBondContact O-CE2 3.43Å; Y794-Y797 PolarHBondContact O-N 2.99Å; S795-Y797 VanDerWaalsContact C-N 3.32Å; S795-Y797 PolarHBondContact O-N 3.11Å; Y797-S799 VanDerWaalsContact C-N 3.31Å; Y797-S799 PolarHBondContact O-N 3.3Å; Y797-S800 WeakPolarHBondContact O-CB 3.4Å; Y797-S800 PolarHBondContact O-N 2.96Å; Y797-S800 VanDerWaalsContact O-N 3.11Å; Y797-L801 WeakPolarHBondContact O-CG 3.13Å; Y797-L801 PolarHBondContact O-N 2.88Å; Y797-L882 HydrophobicContact CE1-CD2 4.47Å; Y797-L882 HydrophobicContact CE2-CD1 4.45Å
798R96.2Very high95.5Very high56 Ų5633.3 Ų33.321%0.21119%0.188CC..Hα-helixtrans-50.8-46.1-172.2179.5177.5167.988.6-1.4112.9E678 Y794 L801 L802 M857 V859E678-R798 IonicContact OE1-CZ 3.49Å; E678-R798 IonicContact OE1-NE 2.72Å; E678-R798 IonicContact OE1-NH2 3.85Å; E678-R798 PolarHBondContact OE1-NH2 3Å; Y794-R798 HydrophobicContact CD1-CB 4.17Å; Y794-R798 HydrophobicContact CD1-CG 4.49Å; Y794-R798 HydrophobicContact CE1-CB 3.8Å; Y794-R798 HydrophobicContact CE1-CG 3.75Å; Y794-R798 WeakPolarHBondContact O-CB 3.31Å; Y794-R798 PolarHBondContact O-N 3.35Å; R798-L801 PolarHBondContact O-N 2.96Å; R798-L802 HydrophobicContact CG-CD1 3.98Å; R798-L802 HydrophobicContact CG-CG 4.35Å; R798-L802 WeakPolarHBondContact O-CB 3.19Å; R798-L802 WeakPolarHBondContact O-CG 3.29Å; R798-L802 PolarHBondContact O-N 3.06Å; R798-M857 VanDerWaalsContact CZ-O 3.29Å; R798-M857 PolarHBondContact NH1-O 3.08Å; R798-M857 PolarHBondContact NH2-O 3.34Å; R798-V859 PolarHBondContact NH1-O 3.15Å
799S96.4Very high95.9Very high27 Ų2731.4 Ų31.419%0.18918%0.177CC..Hα-helixtrans-64.3-43.6-179.558.10000112.5A676 Y797 L801 L802 F803A676-S799 WeakPolarHBondContact CB-O 3.24Å; Y797-S799 VanDerWaalsContact C-N 3.31Å; Y797-S799 PolarHBondContact O-N 3.3Å; S799-L801 VanDerWaalsContact C-N 3.32Å; S799-L801 PolarHBondContact O-N 2.75Å; S799-L802 PolarHBondContact O-N 2.83Å; S799-F803 VanDerWaalsContact O-CB 3.26Å; S799-F803 WeakPolarHBondContact O-CB 3.19Å; S799-F803 PolarHBondContact O-N 3.07Å
800S97.3Very high96.1Very high0 Ų028.4 Ų28.40%016%0.164CC..Hα-helixtrans-61.2-39.7173.1-880000112.8Y743 L769 S773 Y797 F803 W804Y743-S800 PolarHBondContact OH-OG 3.32Å; L769-S800 PolarHBondContact O-OG 3.39Å; S773-S800 WeakPolarHBondContact OG-CB 3.38Å; S773-S800 PolarHBondContact OG-OG 3.47Å; Y797-S800 WeakPolarHBondContact O-CB 3.4Å; Y797-S800 PolarHBondContact O-N 2.96Å; Y797-S800 VanDerWaalsContact O-N 3.11Å; S800-F803 PolarHBondContact O-N 2.99Å; S800-W804 WeakPolarHBondContact O-CB 3.39Å; S800-W804 PolarHBondContact O-N 3.27Å
801L98.1Very high96.3Very high0 Ų026.1 Ų26.10%014%0.144CC..Hα-helixtrans-68.3-46.1-179.8-68.6167.8000111.4L766 L770 Y794 Y797 R798 S799 F803 W804 A805 F862 F865L766-L801 HydrophobicContact CD1-CD2 3.73Å; L770-L801 HydrophobicContact CD2-CD2 4.05Å; L770-L801 HydrophobicContact CD2-CG 4.37Å; Y794-L801 HydrophobicContact CD2-CD1 4.12Å; Y794-L801 HydrophobicContact CE2-CD1 3.47Å; Y794-L801 VanDerWaalsContact CE2-CD1 3.47Å; Y797-L801 WeakPolarHBondContact O-CG 3.13Å; Y797-L801 PolarHBondContact O-N 2.88Å; R798-L801 PolarHBondContact O-N 2.96Å; S799-L801 VanDerWaalsContact C-N 3.32Å; S799-L801 PolarHBondContact O-N 2.75Å; L801-F803 VanDerWaalsContact C-N 3.32Å; L801-F803 PolarHBondContact O-N 3.36Å; L801-W804 PolarHBondContact O-N 2.72Å; L801-A805 WeakPolarHBondContact O-CB 3.15Å; L801-A805 PolarHBondContact O-N 3.3Å; L801-F862 HydrophobicContact CD1-CD2 4.02Å; L801-F862 HydrophobicContact CD2-CD2 4.13Å; L801-F862 HydrophobicContact CD2-CE2 3.9Å; L801-F865 HydrophobicContact CB-CD1 4.39Å; L801-F865 HydrophobicContact CB-CD2 3.86Å; L801-F865 HydrophobicContact CB-CE1 4.21Å; L801-F865 HydrophobicContact CB-CE2 3.63Å; L801-F865 HydrophobicContact CB-CG 4.22Å; L801-F865 HydrophobicContact CB-CZ 3.81Å; L801-F865 HydrophobicContact CD1-CG 4.36Å; L801-F865 HydrophobicContact CD2-CD1 3.51Å; L801-F865 HydrophobicContact CD2-CD2 4.48Å; L801-F865 HydrophobicContact CD2-CE1 3.42Å; L801-F865 VanDerWaalsContact CD2-CE1 3.42Å; L801-F865 HydrophobicContact CD2-CE2 4.4Å; L801-F865 HydrophobicContact CD2-CG 4.05Å; L801-F865 HydrophobicContact CD2-CZ 3.89Å; L801-F865 HydrophobicContact CG-CD1 4.36Å; L801-F865 HydrophobicContact CG-CE1 4.38Å; L801-F865 HydrophobicContact CG-CG 4.44Å; L801-F865 HydrophobicContact CG-CZ 4.46Å; L801-F865 VanDerWaalsContact O-CE2 3.25Å; L801-F865 WeakPolarHBondContact O-CE2 3.2Å; L801-F865 WeakPolarHBondContact O-CZ 3.37Å
802L98.2Very high96.3Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-63.9-38.1174.8-68.8178.6000111.8A676 R798 S799 A805 L806 F852 F856A676-L802 HydrophobicContact CB-CB 3.82Å; R798-L802 HydrophobicContact CG-CD1 3.98Å; R798-L802 HydrophobicContact CG-CG 4.35Å; R798-L802 WeakPolarHBondContact O-CB 3.19Å; R798-L802 WeakPolarHBondContact O-CG 3.29Å; R798-L802 PolarHBondContact O-N 3.06Å; S799-L802 PolarHBondContact O-N 2.83Å; L802-A805 PolarHBondContact O-N 3.46Å; L802-L806 WeakPolarHBondContact O-CG 3.4Å; L802-L806 PolarHBondContact O-N 3.44Å; L802-F852 HydrophobicContact CB-CE2 4.05Å; L802-F852 HydrophobicContact CB-CZ 4.14Å; L802-F852 HydrophobicContact CD2-CE2 4.01Å; L802-F852 HydrophobicContact CD2-CZ 4.3Å; L802-F856 HydrophobicContact CD2-CB 3.97Å
803F98.6Very high96.3Very high0 Ų023.1 Ų23.10%013%0.129CC..Hα-helixtrans-60.3-48.1173.5-177.4-79.5000111.7K669 F672 L673 A676 Y743 T746 V747 L769 S799 S800 L801 A805 L806 V807K669-F803 HydrophobicContact CG-CE2 4.18Å; K669-F803 HydrophobicContact CG-CZ 4.17Å; K669-F803 WeakPolarHBondContact O-CE2 3.38Å; F672-F803 HydrophobicContact CB-CD2 3.54Å; F672-F803 HydrophobicContact CB-CE2 3.41Å; F672-F803 VanDerWaalsContact CB-CE2 3.41Å; F672-F803 HydrophobicContact CB-CG 4.44Å; F672-F803 HydrophobicContact CB-CZ 4.2Å; F672-F803 HydrophobicContact CD2-CE2 4.2Å; F672-F803 HydrophobicContact CD2-CZ 4.16Å; F672-F803 HydrophobicContact CG-CE2 4.33Å; L673-F803 HydrophobicContact CD2-CD2 3.8Å; L673-F803 HydrophobicContact CD2-CE2 4.22Å; L673-F803 HydrophobicContact CG-CD2 3.88Å; L673-F803 HydrophobicContact CG-CE2 3.91Å; A676-F803 HydrophobicContact CB-CB 4.22Å; Y743-F803 HydrophobicContact CD1-CB 4.45Å; Y743-F803 AromaticContact CD1-CD1 3.63Å; Y743-F803 HydrophobicContact CD1-CD1 3.63Å; Y743-F803 AromaticContact CD1-CD2 3.75Å; Y743-F803 HydrophobicContact CD1-CD2 3.75Å; Y743-F803 AromaticContact CD1-CE1 3.68Å; Y743-F803 HydrophobicContact CD1-CE1 3.68Å; Y743-F803 AromaticContact CD1-CE2 3.75Å; Y743-F803 HydrophobicContact CD1-CE2 3.75Å; Y743-F803 AromaticContact CD1-CG 3.67Å; Y743-F803 HydrophobicContact CD1-CG 3.67Å; Y743-F803 AromaticContact CD1-CZ 3.72Å; Y743-F803 HydrophobicContact CD1-CZ 3.72Å; Y743-F803 HydrophobicContact CE1-CB 4.05Å; Y743-F803 HydrophobicContact CE1-CD1 4.02Å; Y743-F803 HydrophobicContact CE1-CD2 4.02Å; Y743-F803 HydrophobicContact CE1-CE2 4.47Å; Y743-F803 AromaticContact CE1-CG 3.76Å; Y743-F803 HydrophobicContact CE1-CG 3.76Å; Y743-F803 HydrophobicContact CG-CZ 4.42Å; T746-F803 HydrophobicContact CG2-CD1 4.42Å; T746-F803 HydrophobicContact CG2-CE1 3.87Å; V747-F803 HydrophobicContact CG2-CE1 4.23Å; V747-F803 HydrophobicContact CG2-CZ 3.61Å; L769-F803 HydrophobicContact CD1-CD1 4.42Å; S799-F803 VanDerWaalsContact O-CB 3.26Å; S799-F803 WeakPolarHBondContact O-CB 3.19Å; S799-F803 PolarHBondContact O-N 3.07Å; S800-F803 PolarHBondContact O-N 2.99Å; L801-F803 VanDerWaalsContact C-N 3.32Å; L801-F803 PolarHBondContact O-N 3.36Å; F803-A805 VanDerWaalsContact C-N 3.3Å; F803-A805 PolarHBondContact O-N 3.23Å; F803-L806 PolarHBondContact O-N 3.11Å; F803-V807 HydrophobicContact CD1-CG2 4.27Å; F803-V807 HydrophobicContact CE1-CG2 4Å; F803-V807 WeakPolarHBondContact O-CG2 3.28Å; F803-V807 PolarHBondContact O-N 2.94Å
804W98.3Very high96.4Very high0 Ų017 Ų170%010%0.097CC..Hα-helixtrans-60.5-41.6176.3-177.198.8000111.5W758 R762 L766 L769 S800 L801 L806 V807 D808 F865 A869 L871W758-W804 HydrophobicContact CZ2-CZ2 4.39Å; W758-W804 AromaticContact CZ2-NE1 3.97Å; R762-W804 HydrophobicContact CB-CZ2 3.74Å; R762-W804 HydrophobicContact CG-CZ2 3.92Å; R762-W804 PolarHBondContact O-NE1 2.76Å; L766-W804 HydrophobicContact CD1-CB 4.35Å; L766-W804 HydrophobicContact CD1-CD2 4.41Å; L766-W804 HydrophobicContact CD1-CG 4.03Å; L769-W804 HydrophobicContact CD1-CB 3.9Å; L769-W804 HydrophobicContact CD1-CG 4.37Å; S800-W804 WeakPolarHBondContact O-CB 3.39Å; S800-W804 PolarHBondContact O-N 3.27Å; L801-W804 PolarHBondContact O-N 2.72Å; W804-L806 VanDerWaalsContact C-N 3.34Å; W804-L806 PolarHBondContact O-N 2.65Å; W804-V807 WeakPolarHBondContact O-CB 3.15Å; W804-V807 PolarHBondContact O-N 3.15Å; W804-D808 HydrophobicContact CE3-CB 4.32Å; W804-D808 HydrophobicContact CH2-CB 4.2Å; W804-D808 HydrophobicContact CZ3-CB 3.93Å; W804-D808 PolarHBondContact O-N 2.95Å; W804-F865 HydrophobicContact CE3-CE1 4.24Å; W804-F865 AromaticContact CE3-CZ 3.81Å; W804-F865 HydrophobicContact CE3-CZ 3.81Å; W804-F865 HydrophobicContact CZ3-CZ 4.36Å; W804-A869 HydrophobicContact CH2-CB 4.28Å; W804-A869 HydrophobicContact CZ3-CB 3.79Å; W804-L871 HydrophobicContact CH2-CD1 3.7Å; W804-L871 HydrophobicContact CH2-CD2 4.04Å; W804-L871 HydrophobicContact CH2-CG 4.05Å; W804-L871 HydrophobicContact CZ2-CD1 3.98Å; W804-L871 HydrophobicContact CZ2-CD2 4.23Å; W804-L871 HydrophobicContact CZ3-CD1 4.2Å
805A98.1Very high96.2Very high0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-62.9-39.2178.600000112.4L801 L802 F803 V807 D808 L809 F856 F865L801-A805 WeakPolarHBondContact O-CB 3.15Å; L801-A805 PolarHBondContact O-N 3.3Å; L802-A805 PolarHBondContact O-N 3.46Å; F803-A805 VanDerWaalsContact C-N 3.3Å; F803-A805 PolarHBondContact O-N 3.23Å; A805-V807 VanDerWaalsContact C-N 3.34Å; A805-V807 PolarHBondContact O-N 3.11Å; A805-D808 PolarHBondContact O-N 3.44Å; A805-L809 WeakPolarHBondContact O-CB 3.14Å; A805-L809 VanDerWaalsContact O-CG 3.22Å; A805-L809 WeakPolarHBondContact O-CG 3.38Å; A805-L809 PolarHBondContact O-N 3.06Å; A805-F856 HydrophobicContact CB-CB 4.44Å; A805-F856 HydrophobicContact CB-CD1 3.43Å; A805-F856 VanDerWaalsContact CB-CD1 3.43Å; A805-F856 HydrophobicContact CB-CD2 4.14Å; A805-F856 HydrophobicContact CB-CE1 3.52Å; A805-F856 HydrophobicContact CB-CE2 4.21Å; A805-F856 HydrophobicContact CB-CG 3.76Å; A805-F856 HydrophobicContact CB-CZ 3.91Å; A805-F865 HydrophobicContact CB-CE2 4.06Å; A805-F865 HydrophobicContact CB-CZ 4.32Å
806L98.3Very high96.1Very high3 Ų324.4 Ų24.42%0.01612%0.118CC..Hα-helixtrans-58.8-47.1173.8-72.9163.7000111F672 F675 L802 F803 W804 D808 L809 I810 F852F672-L806 HydrophobicContact CB-CD1 4.11Å; F672-L806 HydrophobicContact CD2-CB 4.32Å; F672-L806 HydrophobicContact CG-CB 4.31Å; F672-L806 HydrophobicContact CG-CD1 4.31Å; F675-L806 HydrophobicContact CB-CD1 3.42Å; F675-L806 VanDerWaalsContact CB-CD1 3.42Å; F675-L806 HydrophobicContact CB-CD2 4.44Å; F675-L806 HydrophobicContact CG-CD1 4.15Å; F675-L806 HydrophobicContact CG-CD2 4.46Å; L802-L806 WeakPolarHBondContact O-CG 3.4Å; L802-L806 PolarHBondContact O-N 3.44Å; F803-L806 PolarHBondContact O-N 3.11Å; W804-L806 VanDerWaalsContact C-N 3.34Å; W804-L806 PolarHBondContact O-N 2.65Å; L806-D808 VanDerWaalsContact C-N 3.35Å; L806-D808 PolarHBondContact O-N 3.32Å; L806-L809 WeakPolarHBondContact O-CB 3.32Å; L806-L809 PolarHBondContact O-N 3.11Å; L806-I810 WeakPolarHBondContact O-CG1 3.14Å; L806-I810 PolarHBondContact O-N 3.28Å; L806-F852 HydrophobicContact CD1-CE2 3.99Å; L806-F852 HydrophobicContact CD1-CZ 4Å; L806-F852 HydrophobicContact CD2-CB 4.49Å; L806-F852 HydrophobicContact CD2-CD1 4.15Å; L806-F852 HydrophobicContact CD2-CD2 3.5Å; L806-F852 HydrophobicContact CD2-CE1 4.24Å; L806-F852 HydrophobicContact CD2-CE2 3.62Å; L806-F852 HydrophobicContact CD2-CG 3.78Å; L806-F852 HydrophobicContact CD2-CZ 3.99Å; L806-F852 HydrophobicContact CG-CD2 3.79Å; L806-F852 HydrophobicContact CG-CE2 3.47Å; L806-F852 VanDerWaalsContact CG-CE2 3.47Å; L806-F852 HydrophobicContact CG-CZ 3.96Å
807V98.1Very high95.9Very high0 Ų023.4 Ų23.40%011%0.109CC..Hα-helixtrans-59.6-46.1179.2177.80000110.7F672 T746 L750 W758 F803 W804 A805 L809 I810 Y811F672-V807 HydrophobicContact CD2-CG2 3.73Å; F672-V807 HydrophobicContact CE2-CB 4.48Å; F672-V807 HydrophobicContact CE2-CG2 3.57Å; T746-V807 HydrophobicContact CG2-CB 4.18Å; T746-V807 HydrophobicContact CG2-CG1 4Å; T746-V807 HydrophobicContact CG2-CG2 3.66Å; L750-V807 HydrophobicContact CD1-CG1 4.2Å; L750-V807 HydrophobicContact CD2-CG1 4Å; L750-V807 HydrophobicContact CG-CG1 3.96Å; W758-V807 HydrophobicContact CH2-CB 4.33Å; W758-V807 HydrophobicContact CH2-CG1 3.59Å; W758-V807 HydrophobicContact CZ2-CB 4.44Å; W758-V807 HydrophobicContact CZ2-CG1 3.86Å; W758-V807 HydrophobicContact CZ3-CG1 4.04Å; F803-V807 HydrophobicContact CD1-CG2 4.27Å; F803-V807 HydrophobicContact CE1-CG2 4Å; F803-V807 WeakPolarHBondContact O-CG2 3.28Å; F803-V807 PolarHBondContact O-N 2.94Å; W804-V807 WeakPolarHBondContact O-CB 3.15Å; W804-V807 PolarHBondContact O-N 3.15Å; A805-V807 VanDerWaalsContact C-N 3.34Å; A805-V807 PolarHBondContact O-N 3.11Å; V807-L809 VanDerWaalsContact C-N 3.34Å; V807-L809 PolarHBondContact O-N 3.28Å; V807-I810 PolarHBondContact O-N 3.3Å; V807-Y811 HydrophobicContact CG1-CD2 4.12Å; V807-Y811 HydrophobicContact CG1-CE2 3.99Å; V807-Y811 WeakPolarHBondContact O-CD2 3.47Å; V807-Y811 PolarHBondContact O-N 3.28Å
808D97.3Very high95.4Very high14 Ų1426.9 Ų26.98%0.07513%0.132CC..Hα-helixtrans-64.3-37.4177.1-165.484.8000112.3W758 R762 W804 A805 L806 Y811 N812W758-D808 HydrophobicContact CZ2-CB 4.43Å; W758-D808 PolarHBondContact NE1-OD1 3.48Å; R762-D808 IonicContact NH1-OD1 3.47Å; R762-D808 PolarHBondContact NH1-OD1 2.91Å; W804-D808 HydrophobicContact CE3-CB 4.32Å; W804-D808 HydrophobicContact CH2-CB 4.2Å; W804-D808 HydrophobicContact CZ3-CB 3.93Å; W804-D808 PolarHBondContact O-N 2.95Å; A805-D808 PolarHBondContact O-N 3.44Å; L806-D808 VanDerWaalsContact C-N 3.35Å; L806-D808 PolarHBondContact O-N 3.32Å; D808-Y811 WeakPolarHBondContact O-CB 3.4Å; D808-Y811 PolarHBondContact O-N 3.46Å; D808-N812 PolarHBondContact O-N 2.92Å; D808-N812 PolarHBondContact O-ND2 3.34Å; D808-N812 PolarHBondContact OD2-ND2 2.94Å
809L97.6Very high94.5Very high14 Ų1427.3 Ų27.37%0.07314%0.141CC..Hα-helixtrans-64.6-37.8173.9-73.2170.7000112.6A805 L806 V807 N812 M813 A848 T851 F852 F856A805-L809 WeakPolarHBondContact O-CB 3.14Å; A805-L809 VanDerWaalsContact O-CG 3.22Å; A805-L809 WeakPolarHBondContact O-CG 3.38Å; A805-L809 PolarHBondContact O-N 3.06Å; L806-L809 WeakPolarHBondContact O-CB 3.32Å; L806-L809 PolarHBondContact O-N 3.11Å; V807-L809 VanDerWaalsContact C-N 3.34Å; V807-L809 PolarHBondContact O-N 3.28Å; L809-N812 CarbonylContact O-C 3.54Å; L809-N812 WeakPolarHBondContact O-CB 3.29Å; L809-N812 PolarHBondContact O-N 3.13Å; L809-M813 PolarHBondContact O-N 3Å; L809-A848 HydrophobicContact CB-CB 4.28Å; L809-T851 HydrophobicContact CD2-CG2 3.77Å; L809-F852 HydrophobicContact CD1-CB 3.73Å; L809-F852 HydrophobicContact CD1-CD2 4.14Å; L809-F852 HydrophobicContact CD1-CG 4.42Å; L809-F856 HydrophobicContact CD1-CD2 4.04Å; L809-F856 HydrophobicContact CD1-CE2 4.07Å; L809-F856 HydrophobicContact CD2-CE2 4.18Å; L809-F856 HydrophobicContact CG-CE2 4.17Å
810I97.3Very high92.7Very high1 Ų130.3 Ų30.31%0.00516%0.162CC..Hα-helixtrans-66.9-39.1173.4-61.2-52.1000110.8F672 I697 I701 L750 L806 V807 N812 M813 F814F672-I810 HydrophobicContact CE1-CG1 4.41Å; F672-I810 HydrophobicContact CZ-CG1 3.84Å; I697-I810 HydrophobicContact CG2-CD1 4.04Å; I697-I810 HydrophobicContact CG2-CG1 4.35Å; I701-I810 HydrophobicContact CD1-CG2 3.9Å; L750-I810 HydrophobicContact CD1-CG2 4.36Å; L750-I810 HydrophobicContact CD2-CB 4.07Å; L750-I810 HydrophobicContact CD2-CG2 3.86Å; L806-I810 WeakPolarHBondContact O-CG1 3.14Å; L806-I810 PolarHBondContact O-N 3.28Å; V807-I810 PolarHBondContact O-N 3.3Å; I810-N812 VanDerWaalsContact C-N 3.27Å; I810-N812 PolarHBondContact O-N 3.43Å; I810-M813 HydrophobicContact CD1-CE 3.47Å; I810-M813 VanDerWaalsContact CD1-CE 3.47Å; I810-M813 VanDerWaalsContact O-CB 3.23Å; I810-M813 WeakPolarHBondContact O-CB 3.47Å; I810-M813 PolarHBondContact O-N 2.97Å; I810-M813 VanDerWaalsContact O-N 3.15Å; I810-F814 HydrophobicContact CG2-CD2 3.82Å; I810-F814 HydrophobicContact CG2-CE2 3.42Å; I810-F814 VanDerWaalsContact CG2-CE2 3.42Å; I810-F814 HydrophobicContact CG2-CZ 4.39Å; I810-F814 VanDerWaalsContact O-CD2 3.28Å; I810-F814 WeakPolarHBondContact O-CD2 3.44Å; I810-F814 PolarHBondContact O-N 3.01Å
811Y96.2Very high90.6Very high5 Ų538.6 Ų38.62%0.0221%0.206CC..Hα-helixtrans-59-40169.7-86.8-69.6000112.5A749 L750 L753 P755 W758 V807 D808 M813 F814 K815A749-Y811 PolarHBondContact O-OH 2.9Å; L750-Y811 WeakPolarHBondContact CA-OH 3.39Å; L750-Y811 HydrophobicContact CD2-CD1 4.4Å; L750-Y811 HydrophobicContact CD2-CD2 3.53Å; L750-Y811 HydrophobicContact CD2-CE1 4.33Å; L750-Y811 HydrophobicContact CD2-CE2 3.44Å; L750-Y811 VanDerWaalsContact CD2-CE2 3.44Å; L750-Y811 HydrophobicContact CD2-CG 4.04Å; L750-Y811 HydrophobicContact CG-CE2 4.1Å; L750-Y811 PolarHBondContact N-OH 3.28Å; L753-Y811 VanDerWaalsContact O-CE1 3.3Å; L753-Y811 WeakPolarHBondContact O-CE1 3.35Å; L753-Y811 PolarHBondContact O-OH 3.14Å; P755-Y811 HydrophobicContact CB-CD1 4.33Å; P755-Y811 HydrophobicContact CG-CD1 4.18Å; W758-Y811 HydrophobicContact CB-CD1 4.16Å; W758-Y811 HydrophobicContact CB-CD2 4.16Å; W758-Y811 HydrophobicContact CB-CE1 3.76Å; W758-Y811 HydrophobicContact CB-CE2 3.74Å; W758-Y811 HydrophobicContact CB-CG 4.34Å; W758-Y811 VanDerWaalsContact CB-CZ 3.5Å; W758-Y811 AromaticContact CD1-CD2 3.43Å; W758-Y811 VanDerWaalsContact CD1-CD2 3.43Å; W758-Y811 AromaticContact CD1-CE2 3.8Å; W758-Y811 AromaticContact CD1-CG 3.72Å; W758-Y811 AromaticContact CD2-CD2 3.53Å; W758-Y811 HydrophobicContact CD2-CD2 3.53Å; W758-Y811 AromaticContact CD2-CE2 3.15Å; W758-Y811 HydrophobicContact CD2-CE2 3.15Å; W758-Y811 HydrophobicContact CD2-CG 4.46Å; W758-Y811 AromaticContact CD2-CZ 3.85Å; W758-Y811 AromaticContact CE2-CD2 3.6Å; W758-Y811 AromaticContact CE2-CE2 3.69Å; W758-Y811 HydrophobicContact CE3-CD2 4.22Å; W758-Y811 AromaticContact CE3-CE2 3.42Å; W758-Y811 HydrophobicContact CE3-CE2 3.42Å; W758-Y811 VanDerWaalsContact CE3-CE2 3.42Å; W758-Y811 HydrophobicContact CG-CD1 4.24Å; W758-Y811 AromaticContact CG-CD2 3.44Å; W758-Y811 HydrophobicContact CG-CD2 3.44Å; W758-Y811 VanDerWaalsContact CG-CD2 3.44Å; W758-Y811 HydrophobicContact CG-CE1 4.12Å; W758-Y811 AromaticContact CG-CE2 3.28Å; W758-Y811 HydrophobicContact CG-CE2 3.28Å; W758-Y811 AromaticContact CG-CG 3.92Å; W758-Y811 HydrophobicContact CG-CG 3.92Å; W758-Y811 AromaticContact CG-CZ 3.62Å; W758-Y811 HydrophobicContact CZ2-CD2 4.36Å; W758-Y811 HydrophobicContact CZ2-CE2 4.38Å; W758-Y811 HydrophobicContact CZ3-CE2 4.12Å; W758-Y811 AromaticContact NE1-CD2 3.54Å; V807-Y811 HydrophobicContact CG1-CD2 4.12Å; V807-Y811 HydrophobicContact CG1-CE2 3.99Å; V807-Y811 WeakPolarHBondContact O-CD2 3.47Å; V807-Y811 PolarHBondContact O-N 3.28Å; D808-Y811 WeakPolarHBondContact O-CB 3.4Å; D808-Y811 PolarHBondContact O-N 3.46Å; Y811-M813 VanDerWaalsContact C-N 3.32Å; Y811-M813 PolarHBondContact O-N 3.1Å; Y811-F814 CarbonylContact O-C 3.51Å; Y811-F814 PolarHBondContact O-N 3.17Å; Y811-K815 PolarHBondContact O-N 2.67Å; Y811-K815 VanDerWaalsContact O-N 3.12Å
812N93.9Very high88.7Confident65 Ų6541.4 Ų41.435%0.34822%0.223SC..Hα-helixtrans-68.4-29.2176.5-73.5-49.1000113.1D808 L809 I810 F814 K815D808-N812 PolarHBondContact O-N 2.92Å; D808-N812 PolarHBondContact O-ND2 3.34Å; D808-N812 PolarHBondContact OD2-ND2 2.94Å; L809-N812 CarbonylContact O-C 3.54Å; L809-N812 WeakPolarHBondContact O-CB 3.29Å; L809-N812 PolarHBondContact O-N 3.13Å; I810-N812 VanDerWaalsContact C-N 3.27Å; I810-N812 PolarHBondContact O-N 3.43Å; N812-F814 VanDerWaalsContact C-N 3.32Å; N812-K815 WeakPolarHBondContact O-CD 3.41Å; N812-K815 VanDerWaalsContact O-CG 3.29Å; N812-K815 WeakPolarHBondContact O-CG 3.27Å
813M93.9Very high86.9Confident12 Ų1250.8 Ų50.86%0.05927%0.267CS..Hα-helixtrans-61.1-42.8170.2-173.1-163.4-70.900110.5P698 L809 I810 Y811 I841 A844 A845 A848P698-M813 HydrophobicContact CG-CE 4.2Å; P698-M813 HydrophobicContact CG-SD 3.69Å; L809-M813 PolarHBondContact O-N 3Å; I810-M813 HydrophobicContact CD1-CE 3.47Å; I810-M813 VanDerWaalsContact CD1-CE 3.47Å; I810-M813 VanDerWaalsContact O-CB 3.23Å; I810-M813 WeakPolarHBondContact O-CB 3.47Å; I810-M813 PolarHBondContact O-N 2.97Å; I810-M813 VanDerWaalsContact O-N 3.15Å; Y811-M813 VanDerWaalsContact C-N 3.32Å; Y811-M813 PolarHBondContact O-N 3.1Å; M813-I841 HydrophobicContact SD-CG2 4.18Å; M813-A844 HydrophobicContact CB-CB 4.31Å; M813-A844 HydrophobicContact CG-CB 3.52Å; M813-A845 HydrophobicContact CE-CB 3.82Å; M813-A848 HydrophobicContact CE-CB 4.44Å
814F93.8Very high85.6Confident3 Ų353.2 Ų53.21%0.01329%0.292CS..THydrogen-bonded Turntrans-94.213.2-176.9-59.3-47.9000115.1P698 I701 I810 Y811 N812 K816 V817 W826 L830 Y833 I834 I841P698-F814 HydrophobicContact CB-CZ 4.13Å; P698-F814 HydrophobicContact CG-CZ 4.4Å; I701-F814 HydrophobicContact CD1-CE2 3.98Å; I701-F814 HydrophobicContact CD1-CZ 4.44Å; I810-F814 HydrophobicContact CG2-CD2 3.82Å; I810-F814 HydrophobicContact CG2-CE2 3.42Å; I810-F814 VanDerWaalsContact CG2-CE2 3.42Å; I810-F814 HydrophobicContact CG2-CZ 4.39Å; I810-F814 VanDerWaalsContact O-CD2 3.28Å; I810-F814 WeakPolarHBondContact O-CD2 3.44Å; I810-F814 PolarHBondContact O-N 3.01Å; Y811-F814 CarbonylContact O-C 3.51Å; Y811-F814 PolarHBondContact O-N 3.17Å; N812-F814 VanDerWaalsContact C-N 3.32Å; F814-K816 PolarHBondContact O-N 3.39Å; F814-V817 HydrophobicContact CB-CG2 3.83Å; F814-V817 VanDerWaalsContact O-CB 3.29Å; F814-V817 WeakPolarHBondContact O-CB 3.23Å; F814-V817 WeakPolarHBondContact O-CG2 3.42Å; F814-V817 PolarHBondContact O-N 3.36Å; F814-W826 HydrophobicContact CB-CH2 4.26Å; F814-L830 HydrophobicContact CB-CD1 3.89Å; F814-L830 HydrophobicContact CD1-CD1 3.68Å; F814-L830 HydrophobicContact CD2-CD1 3.69Å; F814-L830 HydrophobicContact CD2-CD2 4.49Å; F814-L830 HydrophobicContact CE1-CD1 4.1Å; F814-L830 HydrophobicContact CE2-CD1 4.09Å; F814-L830 HydrophobicContact CG-CD1 3.47Å; F814-L830 VanDerWaalsContact CG-CD1 3.47Å; F814-L830 HydrophobicContact CZ-CD1 4.29Å; F814-Y833 HydrophobicContact CD1-CD1 4.29Å; F814-Y833 HydrophobicContact CD1-CE1 4.39Å; F814-I834 HydrophobicContact CE1-CD1 4.22Å; F814-I834 HydrophobicContact CE1-CG1 3.88Å; F814-I834 HydrophobicContact CZ-CD1 4.06Å; F814-I834 HydrophobicContact CZ-CG1 4.22Å; F814-I841 HydrophobicContact CE1-CD1 4.24Å; F814-I841 HydrophobicContact CE1-CG1 4.31Å
815K89.4Confident85.1Confident133 Ų13354.9 Ų54.958%0.57831%0.309SS*.THydrogen-bonded Turntrans-61.1-15.5-178.172.9-176.6179179.20115.6Y811 N812Y811-K815 PolarHBondContact O-N 2.67Å; Y811-K815 VanDerWaalsContact O-N 3.12Å; N812-K815 WeakPolarHBondContact O-CD 3.41Å; N812-K815 VanDerWaalsContact O-CG 3.29Å; N812-K815 WeakPolarHBondContact O-CG 3.27Å
816K90.1Very high84.9Confident149 Ų14955.7 Ų55.765%0.64831%0.312SS*.THydrogen-bonded Turntrans-90.2-4.7178.3-68.9-177.9-1801740112.8F814 Y833F814-K816 PolarHBondContact O-N 3.39Å; K816-Y833 HydrophobicContact CB-CE2 4.14Å
817V91.3Very high84.6Confident7 Ų755.6 Ų55.64%0.04231%0.312CS..SBendtrans-66130.5177.2177.60000109.4F814 T819 W826 L830 Y833F814-V817 HydrophobicContact CB-CG2 3.83Å; F814-V817 VanDerWaalsContact O-CB 3.29Å; F814-V817 WeakPolarHBondContact O-CB 3.23Å; F814-V817 WeakPolarHBondContact O-CG2 3.42Å; F814-V817 PolarHBondContact O-N 3.36Å; V817-T819 PolarHBondContact O-N 3.44Å; V817-W826 HydrophobicContact CB-CH2 3.78Å; V817-W826 HydrophobicContact CB-CZ3 3.59Å; V817-W826 HydrophobicContact CG1-CE3 4.06Å; V817-W826 HydrophobicContact CG1-CH2 3.92Å; V817-W826 HydrophobicContact CG1-CZ3 3.4Å; V817-W826 HydrophobicContact CG2-CH2 4.1Å; V817-W826 HydrophobicContact CG2-CZ3 4.38Å; V817-L830 HydrophobicContact CG2-CD1 3.87Å; V817-Y833 HydrophobicContact CB-CG 4.43Å; V817-Y833 HydrophobicContact CG2-CD1 3.57Å; V817-Y833 HydrophobicContact CG2-CD2 4Å; V817-Y833 HydrophobicContact CG2-CE1 4.19Å; V817-Y833 HydrophobicContact CG2-CG 3.47Å; V817-Y833 VanDerWaalsContact CG2-CG 3.47Å
818P85.3Confident84.4Confident76 Ų7657.6 Ų57.649%0.49433%0.325SS..  trans-63.2124.4175.2-21.933.3000112.3S829P818-S829 VanDerWaalsContact O-CB 3.26Å; P818-S829 WeakPolarHBondContact O-CB 3.47Å; P818-S829 PolarHBondContact O-OG 3.22Å
819T76.9Confident84.2Confident65 Ų6557.3 Ų57.340%0.39932%0.324SS..  trans-98.6-9.5-178.251.10000114.3P754 V817 W826P754-T819 HydrophobicContact CB-CG2 4.18Å; V817-T819 PolarHBondContact O-N 3.44Å; T819-W826 HydrophobicContact CG2-CE3 4.24Å; T819-W826 HydrophobicContact CG2-CZ3 4.07Å
820S58.3Low84.1Confident89 Ų8956.7 Ų56.762%0.62232%0.321SS*.SBendtrans-106.2130.2-171.455.60000113.9T822S820-T822 PolarHBondContact O-N 3Å
821N53.3Low84Confident174 Ų17457.1 Ų57.193%0.9333%0.325SS*.SBendtrans52.534.8164.3-75.2-0000117.7
822T58.1Low83.9Confident60 Ų6061.4 Ų61.437%0.36835%0.345SS..  trans-87.2133167.740.20000110.8S820 G824 G825 S829S820-T822 PolarHBondContact O-N 3Å; T822-G824 PolarHBondContact O-N 3.47Å; T822-G824 VanDerWaalsContact O-N 3.1Å; T822-G825 PolarHBondContact O-N 3.22Å; T822-S829 WeakPolarHBondContact CG2-OG 3.41Å; T822-S829 PolarHBondContact OG1-OG 2.84Å
823E61.9Low84Confident197 Ų19759.5 Ų59.592%0.92133%0.333SS*.THydrogen-bonded Turntrans-57.6115.4169.4-73.6-174.9160.200108.8
824G70.9Confident84.1Confident51 Ų5159.1 Ų59.153%0.52633%0.331SS..THydrogen-bonded Turntrans101.9-2.2-179.600000116.8T822T822-G824 PolarHBondContact O-N 3.47Å; T822-G824 VanDerWaalsContact O-N 3.1Å
825G87.7Confident84.1Confident34 Ų3461.2 Ų61.235%0.35134%0.339SS..Hα-helixtrans75.6-160.4168.800000115.6T822 S827 C828 S829T822-G825 PolarHBondContact O-N 3.22Å; G825-S827 PolarHBondContact O-N 3.12Å; G825-C828 PolarHBondContact O-N 3.37Å; G825-S829 PolarHBondContact O-N 3.26Å; G825-S829 VanDerWaalsContact O-N 3.12Å
826W92.6Very high84.2Confident18 Ų1858.7 Ų58.77%0.06833%0.329CS..Hα-helixtrans-58.3-42.4-174.1171.6-110.3000113L750 L753 P754 P755 F814 V817 T819 C828 S829 L830L750-W826 PolarHBondContact O-NE1 3.23Å; L753-W826 PolarHBondContact O-NE1 2.77Å; P754-W826 HydrophobicContact CB-CB 4.26Å; P754-W826 HydrophobicContact CB-CD2 4.06Å; P754-W826 HydrophobicContact CB-CE3 3.94Å; P754-W826 HydrophobicContact CB-CG 4.2Å; P755-W826 VanDerWaalsContact CD-CH2 3.46Å; P755-W826 VanDerWaalsContact CD-CZ3 3.4Å; P755-W826 HydrophobicContact CG-CH2 3.73Å; P755-W826 HydrophobicContact CG-CZ2 4.34Å; P755-W826 HydrophobicContact CG-CZ3 4.02Å; F814-W826 HydrophobicContact CB-CH2 4.26Å; V817-W826 HydrophobicContact CB-CH2 3.78Å; V817-W826 HydrophobicContact CB-CZ3 3.59Å; V817-W826 HydrophobicContact CG1-CE3 4.06Å; V817-W826 HydrophobicContact CG1-CH2 3.92Å; V817-W826 HydrophobicContact CG1-CZ3 3.4Å; V817-W826 HydrophobicContact CG2-CH2 4.1Å; V817-W826 HydrophobicContact CG2-CZ3 4.38Å; T819-W826 HydrophobicContact CG2-CE3 4.24Å; T819-W826 HydrophobicContact CG2-CZ3 4.07Å; W826-C828 VanDerWaalsContact C-N 3.32Å; W826-C828 PolarHBondContact O-N 2.85Å; W826-S829 PolarHBondContact O-N 3.4Å; W826-L830 HydrophobicContact CH2-CD1 4.4Å; W826-L830 HydrophobicContact CZ2-CB 4.28Å; W826-L830 HydrophobicContact CZ2-CD1 4.18Å; W826-L830 HydrophobicContact CZ2-CD2 3.88Å; W826-L830 HydrophobicContact CZ2-CG 4.34Å; W826-L830 WeakPolarHBondContact O-CB 3.37Å; W826-L830 PolarHBondContact O-N 2.9Å
827S93.5Very high84.3Confident1 Ų153.6 Ų53.61%0.00731%0.309CS..Hα-helixtrans-62.9-37.2-177.563.50000112.5N709 T714 H751 G825 A831N709-S827 PolarHBondContact ND2-O 2.98Å; N709-S827 VanDerWaalsContact OD1-CB 3.28Å; N709-S827 WeakPolarHBondContact OD1-CB 3.36Å; N709-S827 PolarHBondContact OD1-OG 3.42Å; T714-S827 PolarHBondContact OG1-OG 3.02Å; H751-S827 WeakPolarHBondContact O-CB 3.47Å; G825-S827 PolarHBondContact O-N 3.12Å; S827-A831 WeakPolarHBondContact O-CB 3.32Å; S827-A831 PolarHBondContact O-N 3.25Å
828C92.9Very high84.3Confident41 Ų4154.9 Ų54.928%0.27732%0.316SS..Hα-helixtrans-71.7-46.5174.1-71.10000112G825 W826 L830 A831 E832G825-C828 PolarHBondContact O-N 3.37Å; W826-C828 VanDerWaalsContact C-N 3.32Å; W826-C828 PolarHBondContact O-N 2.85Å; C828-L830 VanDerWaalsContact C-N 3.31Å; C828-L830 PolarHBondContact O-N 3.38Å; C828-A831 PolarHBondContact O-N 3.37Å; C828-E832 WeakPolarHBondContact O-CB 3.45Å; C828-E832 PolarHBondContact O-N 3.24Å
829S94.2Very high84.5Confident9 Ų954.5 Ų54.56%0.06331%0.308CS..Hα-helixtrans-58.6-42.2178-71.20000112.6P818 T822 G825 W826 Y833P818-S829 VanDerWaalsContact O-CB 3.26Å; P818-S829 WeakPolarHBondContact O-CB 3.47Å; P818-S829 PolarHBondContact O-OG 3.22Å; T822-S829 WeakPolarHBondContact CG2-OG 3.41Å; T822-S829 PolarHBondContact OG1-OG 2.84Å; G825-S829 PolarHBondContact O-N 3.26Å; G825-S829 VanDerWaalsContact O-N 3.12Å; W826-S829 PolarHBondContact O-N 3.4Å; S829-Y833 WeakPolarHBondContact O-CB 3.39Å; S829-Y833 PolarHBondContact O-N 2.89Å
830L95.2Very high85.2Confident1 Ų153.7 Ų53.71%0.00530%0.304CS..Hα-helixtrans-68.6-42.9-179.6-179.659.4000111.4I701 L705 F814 V817 W826 C828 E832 Y833 I834I701-L830 HydrophobicContact CG2-CD2 4.14Å; L705-L830 HydrophobicContact CD1-CB 3.91Å; L705-L830 HydrophobicContact CD1-CD2 3.7Å; L705-L830 HydrophobicContact CD1-CG 3.55Å; L705-L830 HydrophobicContact CD2-CD2 4.46Å; F814-L830 HydrophobicContact CB-CD1 3.89Å; F814-L830 HydrophobicContact CD1-CD1 3.68Å; F814-L830 HydrophobicContact CD2-CD1 3.69Å; F814-L830 HydrophobicContact CD2-CD2 4.49Å; F814-L830 HydrophobicContact CE1-CD1 4.1Å; F814-L830 HydrophobicContact CE2-CD1 4.09Å; F814-L830 HydrophobicContact CG-CD1 3.47Å; F814-L830 VanDerWaalsContact CG-CD1 3.47Å; F814-L830 HydrophobicContact CZ-CD1 4.29Å; V817-L830 HydrophobicContact CG2-CD1 3.87Å; W826-L830 HydrophobicContact CH2-CD1 4.4Å; W826-L830 HydrophobicContact CZ2-CB 4.28Å; W826-L830 HydrophobicContact CZ2-CD1 4.18Å; W826-L830 HydrophobicContact CZ2-CD2 3.88Å; W826-L830 HydrophobicContact CZ2-CG 4.34Å; W826-L830 WeakPolarHBondContact O-CB 3.37Å; W826-L830 PolarHBondContact O-N 2.9Å; C828-L830 VanDerWaalsContact C-N 3.31Å; C828-L830 PolarHBondContact O-N 3.38Å; L830-E832 PolarHBondContact O-N 3.2Å; L830-Y833 PolarHBondContact O-N 3.27Å; L830-I834 HydrophobicContact CD1-CD1 4.01Å; L830-I834 HydrophobicContact CD1-CG1 4.23Å; L830-I834 HydrophobicContact CG-CD1 3.97Å; L830-I834 WeakPolarHBondContact O-CG1 3.35Å; L830-I834 PolarHBondContact O-N 3.24Å
831A95.3Very high86.9Confident10 Ų1049.6 Ų49.68%0.08328%0.275CS..Hα-helixtrans-59.1-48.4175.900000111.1H702 L705 S827 C828 Y833 I834 R835H702-A831 PolarHBondContact NE2-O 2.89Å; L705-A831 HydrophobicContact CB-CB 3.98Å; L705-A831 HydrophobicContact CD1-CB 4.19Å; S827-A831 WeakPolarHBondContact O-CB 3.32Å; S827-A831 PolarHBondContact O-N 3.25Å; C828-A831 PolarHBondContact O-N 3.37Å; A831-Y833 VanDerWaalsContact C-N 3.31Å; A831-Y833 PolarHBondContact O-N 2.99Å; A831-I834 PolarHBondContact O-N 3.17Å; A831-R835 WeakPolarHBondContact O-CB 3.37Å; A831-R835 PolarHBondContact O-N 2.99Å
832E94.1Very high88.6Confident95 Ų9545.1 Ų45.144%0.44425%0.246SC..Hα-helixtrans-65.6-35.4-179.7-168.566.6178.400112.1C828 L830 R835 H836C828-E832 WeakPolarHBondContact O-CB 3.45Å; C828-E832 PolarHBondContact O-N 3.24Å; L830-E832 PolarHBondContact O-N 3.2Å; E832-R835 IonicContact OE2-NH1 3.02Å; E832-H836 PolarHBondContact O-N 3.5Å; E832-H836 PolarHBondContact O-ND1 2.6Å; E832-H836 IonicContact OE1-CE1 3.52Å; E832-H836 PolarHBondContact OE1-CE1 2.62Å; E832-H836 IonicContact OE1-ND1 3.76Å; E832-H836 PolarHBondContact OE1-ND1 3.24Å; E832-H836 IonicContact OE1-NE2 2.83Å; E832-H836 IonicContact OE2-CE1 2.81Å
833Y95Very high90.2Very high25 Ų2547.7 Ų47.710%0.09825%0.253CS..Hα-helixtrans-64.7-47.7173.7-174.1-95.5000111.8F814 K816 V817 S829 L830 A831 R835 H836 N837 I841F814-Y833 HydrophobicContact CD1-CD1 4.29Å; F814-Y833 HydrophobicContact CD1-CE1 4.39Å; K816-Y833 HydrophobicContact CB-CE2 4.14Å; V817-Y833 HydrophobicContact CB-CG 4.43Å; V817-Y833 HydrophobicContact CG2-CD1 3.57Å; V817-Y833 HydrophobicContact CG2-CD2 4Å; V817-Y833 HydrophobicContact CG2-CE1 4.19Å; V817-Y833 HydrophobicContact CG2-CG 3.47Å; V817-Y833 VanDerWaalsContact CG2-CG 3.47Å; S829-Y833 WeakPolarHBondContact O-CB 3.39Å; S829-Y833 PolarHBondContact O-N 2.89Å; L830-Y833 PolarHBondContact O-N 3.27Å; A831-Y833 VanDerWaalsContact C-N 3.31Å; A831-Y833 PolarHBondContact O-N 2.99Å; Y833-R835 VanDerWaalsContact C-N 3.27Å; Y833-R835 PolarHBondContact O-N 2.89Å; Y833-H836 PolarHBondContact O-N 3.22Å; Y833-H836 VanDerWaalsContact O-N 3.14Å; Y833-N837 HydrophobicContact CD1-CB 4.31Å; Y833-N837 WeakPolarHBondContact CD2-ND2 3.29Å; Y833-N837 HydrophobicContact CE1-CB 3.98Å; Y833-N837 HydrophobicContact CE2-CB 4.21Å; Y833-N837 VanDerWaalsContact O-CB 3.31Å; Y833-N837 WeakPolarHBondContact O-CB 3.37Å; Y833-N837 PolarHBondContact O-N 2.91Å; Y833-N837 VanDerWaalsContact O-N 3.07Å; Y833-N837 PolarHBondContact O-ND2 2.87Å; Y833-I841 HydrophobicContact CD1-CD1 4.14Å; Y833-I841 HydrophobicContact CE1-CD1 4.15Å; Y833-I841 HydrophobicContact CE1-CG1 4.04Å
834I95.5Very high91.7Very high4 Ų439.5 Ų39.52%0.02122%0.219CC..Hα-helixtrans-60.4-41.1179.2-63.9163.7000111I701 H702 L705 F814 L830 A831 H836 I841I701-I834 HydrophobicContact CG2-CD1 3.94Å; H702-I834 HydrophobicContact CB-CB 4.48Å; H702-I834 HydrophobicContact CB-CD1 4.33Å; H702-I834 HydrophobicContact CB-CG2 3.9Å; L705-I834 HydrophobicContact CD1-CD1 4.1Å; F814-I834 HydrophobicContact CE1-CD1 4.22Å; F814-I834 HydrophobicContact CE1-CG1 3.88Å; F814-I834 HydrophobicContact CZ-CD1 4.06Å; F814-I834 HydrophobicContact CZ-CG1 4.22Å; L830-I834 HydrophobicContact CD1-CD1 4.01Å; L830-I834 HydrophobicContact CD1-CG1 4.23Å; L830-I834 HydrophobicContact CG-CD1 3.97Å; L830-I834 WeakPolarHBondContact O-CG1 3.35Å; L830-I834 PolarHBondContact O-N 3.24Å; A831-I834 PolarHBondContact O-N 3.17Å; I834-H836 VanDerWaalsContact C-N 3.26Å; I834-H836 PolarHBondContact O-N 3.14Å; I834-I841 HydrophobicContact CB-CD1 4.07Å; I834-I841 HydrophobicContact CG1-CD1 3.95Å; I834-I841 HydrophobicContact CG2-CD1 4.12Å
835R93.8Very high92.8Very high47 Ų4737.1 Ų37.118%0.17719%0.194CC..Hα-helixtrans-58.1-33.6176.3-177.6171.1-177-161.31.8114.1W630 G631 P632 V634 A831 E832 Y833W630-R835 VanDerWaalsContact CE2-CZ 3.46Å; W630-R835 WeakPolarHBondContact O-CG 3.48Å; G631-R835 PolarHBondContact O-NE 3.32Å; P632-R835 VanDerWaalsContact CD-O 3.29Å; P632-R835 WeakPolarHBondContact CD-O 3.21Å; P632-R835 WeakPolarHBondContact CG-O 3.43Å; P632-R835 PolarHBondContact O-NH2 2.93Å; P632-R835 VanDerWaalsContact O-NH2 3.1Å; V634-R835 PolarHBondContact O-NH2 2.97Å; A831-R835 WeakPolarHBondContact O-CB 3.37Å; A831-R835 PolarHBondContact O-N 2.99Å; E832-R835 IonicContact OE2-NH1 3.02Å; Y833-R835 VanDerWaalsContact C-N 3.27Å; Y833-R835 PolarHBondContact O-N 2.89Å
836H92.8Very high92.9Very high80 Ų8038.2 Ų38.237%0.3719%0.192SC..Hα-helixtrans-108.3-4.5-170.7-68.686.1000115.5E832 Y833 I834E832-H836 PolarHBondContact O-N 3.5Å; E832-H836 PolarHBondContact O-ND1 2.6Å; E832-H836 IonicContact OE1-CE1 3.52Å; E832-H836 PolarHBondContact OE1-CE1 2.62Å; E832-H836 IonicContact OE1-ND1 3.76Å; E832-H836 PolarHBondContact OE1-ND1 3.24Å; E832-H836 IonicContact OE1-NE2 2.83Å; E832-H836 IonicContact OE2-CE1 2.81Å; Y833-H836 PolarHBondContact O-N 3.22Å; Y833-H836 VanDerWaalsContact O-N 3.14Å; I834-H836 VanDerWaalsContact C-N 3.26Å; I834-H836 PolarHBondContact O-N 3.14Å
837N92.7Very high92.9Very high42 Ų4244 Ų4423%0.22522%0.218CC..  trans-133.543.6-168.5-63.2-94000112.4Y833 M839 P840 I841Y833-N837 HydrophobicContact CD1-CB 4.31Å; Y833-N837 WeakPolarHBondContact CD2-ND2 3.29Å; Y833-N837 HydrophobicContact CE1-CB 3.98Å; Y833-N837 HydrophobicContact CE2-CB 4.21Å; Y833-N837 VanDerWaalsContact O-CB 3.31Å; Y833-N837 WeakPolarHBondContact O-CB 3.37Å; Y833-N837 PolarHBondContact O-N 2.91Å; Y833-N837 VanDerWaalsContact O-N 3.07Å; Y833-N837 PolarHBondContact O-ND2 2.87Å; N837-M839 PolarHBondContact O-N 3.4Å; N837-P840 HydrophobicContact CB-CB 4.22Å; N837-P840 HydrophobicContact CB-CG 4.06Å; N837-P840 WeakPolarHBondContact O-CD 3.46Å; N837-I841 HydrophobicContact CB-CD1 4.3Å; N837-I841 HydrophobicContact CB-CG1 4.47Å; N837-I841 VanDerWaalsContact O-CB 3.28Å; N837-I841 WeakPolarHBondContact O-CB 3.2Å; N837-I841 WeakPolarHBondContact O-CD1 3.48Å; N837-I841 WeakPolarHBondContact O-CG1 3.05Å; N837-I841 PolarHBondContact O-N 2.8Å
838D90.1Very high93Very high34 Ų3444.3 Ų44.318%0.18222%0.22CC..Hα-helixtrans-54.5-49-179.868.6-29.6000113.2G542 L543 I841 Y842G542-D838 WeakPolarHBondContact CA-OD2 3.43Å; L543-D838 HydrophobicContact CD1-CB 4.16Å; L543-D838 HydrophobicContact CG-CB 3.98Å; L543-D838 PolarHBondContact N-OD2 2.92Å; D838-I841 PolarHBondContact O-N 2.87Å; D838-Y842 WeakPolarHBondContact O-CB 3.23Å; D838-Y842 PolarHBondContact O-N 3.4Å
839M88.9Confident93.1Very high68 Ų6842.9 Ų42.934%0.33521%0.21SC..Hα-helixtrans-66.7-49.6178.9-176.472.3-175.700112.9N837 I841 Y842 E843N837-M839 PolarHBondContact O-N 3.4Å; M839-I841 PolarHBondContact O-N 3.02Å; M839-Y842 WeakPolarHBondContact O-CB 3.38Å; M839-Y842 PolarHBondContact O-N 3.43Å; M839-E843 HydrophobicContact CE-CG 4.25Å; M839-E843 PolarHBondContact O-N 2.91Å
840P91.8Very high93Very high47 Ų4747.4 Ų47.431%0.30523%0.229SC..Hα-helixtrans-56.6-34.3172.4-2733000114.4N837 A844N837-P840 HydrophobicContact CB-CB 4.22Å; N837-P840 HydrophobicContact CB-CG 4.06Å; N837-P840 WeakPolarHBondContact O-CD 3.46Å; P840-A844 WeakPolarHBondContact O-CB 3.32Å; P840-A844 PolarHBondContact O-N 3.13Å
841I93.8Very high92.9Very high3 Ų348.7 Ų48.72%0.01524%0.236CC..Hα-helixtrans-71.1-42.4177.6-74.1167.7000110.6P698 M813 F814 Y833 I834 N837 D838 M839 A844 A845P698-I841 HydrophobicContact CB-CG2 3.66Å; P698-I841 HydrophobicContact CG-CG2 3.56Å; M813-I841 HydrophobicContact SD-CG2 4.18Å; F814-I841 HydrophobicContact CE1-CD1 4.24Å; F814-I841 HydrophobicContact CE1-CG1 4.31Å; Y833-I841 HydrophobicContact CD1-CD1 4.14Å; Y833-I841 HydrophobicContact CE1-CD1 4.15Å; Y833-I841 HydrophobicContact CE1-CG1 4.04Å; I834-I841 HydrophobicContact CB-CD1 4.07Å; I834-I841 HydrophobicContact CG1-CD1 3.95Å; I834-I841 HydrophobicContact CG2-CD1 4.12Å; N837-I841 HydrophobicContact CB-CD1 4.3Å; N837-I841 HydrophobicContact CB-CG1 4.47Å; N837-I841 VanDerWaalsContact O-CB 3.28Å; N837-I841 WeakPolarHBondContact O-CB 3.2Å; N837-I841 WeakPolarHBondContact O-CD1 3.48Å; N837-I841 WeakPolarHBondContact O-CG1 3.05Å; N837-I841 PolarHBondContact O-N 2.8Å; D838-I841 PolarHBondContact O-N 2.87Å; M839-I841 PolarHBondContact O-N 3.02Å; I841-A844 PolarHBondContact O-N 3.29Å; I841-A845 WeakPolarHBondContact O-CB 3.37Å; I841-A845 PolarHBondContact O-N 3.34Å
842Y89.8Confident92.9Very high81 Ų8148.2 Ų48.232%0.31823%0.233SC..Hα-helixtrans-55.6-54.3174.2-169.8-82.5000111.1F590 H695 D838 M839 A844 A845 D846F590-Y842 HydrophobicContact CD1-CE2 4.33Å; F590-Y842 HydrophobicContact CE1-CD2 4.07Å; F590-Y842 AromaticContact CE1-CE2 3.88Å; F590-Y842 HydrophobicContact CE1-CE2 3.88Å; H695-Y842 AromaticContact CD2-CD2 3.46Å; H695-Y842 VanDerWaalsContact CD2-CD2 3.46Å; H695-Y842 WeakPolarHBondContact CD2-CD2 3.46Å; H695-Y842 AromaticContact CD2-CE2 3.57Å; H695-Y842 AromaticContact CD2-CG 3.9Å; H695-Y842 AromaticContact CE1-CZ 3.96Å; H695-Y842 AromaticContact NE2-CD1 3.96Å; H695-Y842 AromaticContact NE2-CD2 3.78Å; H695-Y842 AromaticContact NE2-CE1 3.82Å; H695-Y842 AromaticContact NE2-CE2 3.63Å; H695-Y842 AromaticContact NE2-CG 3.93Å; H695-Y842 AromaticContact NE2-CZ 3.65Å; D838-Y842 WeakPolarHBondContact O-CB 3.23Å; D838-Y842 PolarHBondContact O-N 3.4Å; M839-Y842 WeakPolarHBondContact O-CB 3.38Å; M839-Y842 PolarHBondContact O-N 3.43Å; Y842-A844 VanDerWaalsContact C-N 3.27Å; Y842-A844 PolarHBondContact O-N 2.86Å; Y842-A845 WeakPolarHBondContact O-CB 3.28Å; Y842-A845 PolarHBondContact O-N 2.89Å; Y842-A845 VanDerWaalsContact O-N 3.08Å; Y842-D846 PolarHBondContact O-N 2.77Å
843E91.7Very high92.8Very high114 Ų11447.7 Ų47.753%0.53323%0.23SC..Hα-helixtrans-60.4-35.7177.3-66.8178.8171.900112.9M839 K847M839-E843 HydrophobicContact CE-CG 4.25Å; M839-E843 PolarHBondContact O-N 2.91Å; E843-K847 PolarHBondContact O-N 3.17Å; E843-K847 VanDerWaalsContact O-N 3.16Å
844A93.9Very high92.6Very high25 Ų2551.5 Ų51.521%0.20725%0.249CC..Hα-helixtrans-72.5-31.817800000112.2M813 P840 I841 Y842 K847 A848M813-A844 HydrophobicContact CB-CB 4.31Å; M813-A844 HydrophobicContact CG-CB 3.52Å; P840-A844 WeakPolarHBondContact O-CB 3.32Å; P840-A844 PolarHBondContact O-N 3.13Å; I841-A844 PolarHBondContact O-N 3.29Å; Y842-A844 VanDerWaalsContact C-N 3.27Å; Y842-A844 PolarHBondContact O-N 2.86Å; A844-K847 PolarHBondContact O-N 2.84Å; A844-A848 WeakPolarHBondContact O-CB 3.45Å; A844-A848 PolarHBondContact O-N 3Å
845A93.8Very high92.3Very high0 Ų055.8 Ų55.80%027%0.269CS..Hα-helixtrans-68.1-43.6173.900000111.9I694 M813 I841 Y842 K847 A848 L849I694-A845 HydrophobicContact CG2-CB 4.18Å; M813-A845 HydrophobicContact CE-CB 3.82Å; I841-A845 WeakPolarHBondContact O-CB 3.37Å; I841-A845 PolarHBondContact O-N 3.34Å; Y842-A845 WeakPolarHBondContact O-CB 3.28Å; Y842-A845 PolarHBondContact O-N 2.89Å; Y842-A845 VanDerWaalsContact O-N 3.08Å; A845-K847 VanDerWaalsContact C-N 3.3Å; A845-K847 PolarHBondContact O-N 2.71Å; A845-A848 PolarHBondContact O-N 3.3Å; A845-L849 PolarHBondContact O-N 3.37Å
846D89.3Confident92.3Very high58 Ų5854 Ų5431%0.3126%0.262SS..Hα-helixtrans-55.7-46.9170.8-80.7-26.5000111.7H695 Y842 A848 L849 K850H695-D846 IonicContact CE1-OD1 3.36Å; H695-D846 PolarHBondContact CE1-OD1 2.82Å; H695-D846 IonicContact NE2-OD1 3.64Å; H695-D846 PolarHBondContact NE2-OD1 3.06Å; Y842-D846 PolarHBondContact O-N 2.77Å; D846-A848 PolarHBondContact O-N 3.27Å; D846-L849 PolarHBondContact O-N 3.13Å; D846-K850 WeakPolarHBondContact O-CB 3.34Å; D846-K850 PolarHBondContact O-N 2.95Å
847K93.5Very high92.2Very high139 Ų13951.4 Ų51.460%0.60425%0.251SS*.Hα-helixtrans-64.7-41.1178.3-172.3178.9179-179.20111.9E843 A844 A845 K850 T851E843-K847 PolarHBondContact O-N 3.17Å; E843-K847 VanDerWaalsContact O-N 3.16Å; A844-K847 PolarHBondContact O-N 2.84Å; A845-K847 VanDerWaalsContact C-N 3.3Å; A845-K847 PolarHBondContact O-N 2.71Å; K847-K850 PolarHBondContact O-N 3.43Å; K847-T851 WeakPolarHBondContact O-CB 3.17Å; K847-T851 PolarHBondContact O-N 3.28Å; K847-T851 PolarHBondContact O-OG1 2.78Å
848A94.5Very high92.2Very high7 Ų752.8 Ų52.86%0.05826%0.262CS..Hα-helixtrans-62.2-47.9177.700000110.8L809 M813 A844 A845 D846 K850 T851 F852L809-A848 HydrophobicContact CB-CB 4.28Å; M813-A848 HydrophobicContact CE-CB 4.44Å; A844-A848 WeakPolarHBondContact O-CB 3.45Å; A844-A848 PolarHBondContact O-N 3Å; A845-A848 PolarHBondContact O-N 3.3Å; D846-A848 PolarHBondContact O-N 3.27Å; A848-K850 PolarHBondContact O-N 3.43Å; A848-T851 PolarHBondContact O-N 3.3Å; A848-F852 WeakPolarHBondContact O-CB 3.2Å; A848-F852 PolarHBondContact O-N 2.74Å
849L95.1Very high92.2Very high11 Ų1151.5 Ų51.56%0.05826%0.255CS..Hα-helixtrans-61.3-45.2177179.665.8000111.9F675 R690 E691 I694 A845 D846 T851 F852 Q853F675-L849 HydrophobicContact CE1-CD1 4.07Å; R690-L849 HydrophobicContact CB-CD1 3.99Å; E691-L849 HydrophobicContact CB-CD2 3.95Å; E691-L849 HydrophobicContact CG-CD2 4.41Å; I694-L849 HydrophobicContact CB-CB 4.33Å; I694-L849 HydrophobicContact CG1-CB 4.18Å; I694-L849 HydrophobicContact CG2-CB 3.96Å; I694-L849 HydrophobicContact CG2-CD2 4.16Å; A845-L849 PolarHBondContact O-N 3.37Å; D846-L849 PolarHBondContact O-N 3.13Å; L849-T851 VanDerWaalsContact C-N 3.32Å; L849-T851 PolarHBondContact O-N 3.34Å; L849-F852 WeakPolarHBondContact O-CB 3.29Å; L849-F852 PolarHBondContact O-N 3.05Å; L849-Q853 HydrophobicContact CD1-CG 3.98Å; L849-Q853 HydrophobicContact CG-CG 4.31Å; L849-Q853 WeakPolarHBondContact O-CB 3.37Å; L849-Q853 WeakPolarHBondContact O-CG 3.45Å; L849-Q853 PolarHBondContact O-N 3.49Å
850K91.6Very high92.3Very high105 Ų10555.4 Ų55.446%0.45727%0.273SS..Hα-helixtrans-58-46.8177.4-174.4178-177172.70111.4D846 K847 A848 F852 Q853 E854D846-K850 WeakPolarHBondContact O-CB 3.34Å; D846-K850 PolarHBondContact O-N 2.95Å; K847-K850 PolarHBondContact O-N 3.43Å; A848-K850 PolarHBondContact O-N 3.43Å; K850-F852 VanDerWaalsContact C-N 3.34Å; K850-F852 PolarHBondContact O-N 2.9Å; K850-Q853 PolarHBondContact O-N 3.49Å; K850-E854 WeakPolarHBondContact CE-OE1 3.41Å; K850-E854 WeakPolarHBondContact CE-OE2 3.45Å; K850-E854 HydrophobicContact CG-CG 4.13Å; K850-E854 VanDerWaalsContact O-CB 3.25Å; K850-E854 WeakPolarHBondContact O-CB 3.47Å; K850-E854 WeakPolarHBondContact O-CG 3.15Å; K850-E854 PolarHBondContact O-N 3.08Å
851T93.8Very high92.3Very high27 Ų2756 Ų5617%0.16628%0.276CS..Hα-helixtrans-62.3-43.7177.2-49.60000110.6L809 K847 A848 L849 Q853 E855 F856L809-T851 HydrophobicContact CD2-CG2 3.77Å; K847-T851 WeakPolarHBondContact O-CB 3.17Å; K847-T851 PolarHBondContact O-N 3.28Å; K847-T851 PolarHBondContact O-OG1 2.78Å; A848-T851 PolarHBondContact O-N 3.3Å; L849-T851 VanDerWaalsContact C-N 3.32Å; L849-T851 PolarHBondContact O-N 3.34Å; T851-Q853 PolarHBondContact O-N 3.49Å; T851-E855 HydrophobicContact CG2-CB 4.33Å; T851-E855 HydrophobicContact CG2-CG 4.25Å; T851-E855 WeakPolarHBondContact O-CA 3.45Å; T851-E855 VanDerWaalsContact O-CB 3.25Å; T851-E855 WeakPolarHBondContact O-CB 3.31Å; T851-E855 PolarHBondContact O-N 3.28Å; T851-F856 HydrophobicContact CG2-CD2 4.41Å; T851-F856 HydrophobicContact CG2-CE2 4.22Å; T851-F856 PolarHBondContact O-N 2.88Å
852F95.8Very high92.2Very high1 Ų156.9 Ų56.90%0.00428%0.279CS..Iπ-helixtrans-58.4-48176.5-175.1-106.2000112.2F675 L802 L806 L809 A848 L849 K850 F856 M857F675-F852 HydrophobicContact CB-CE1 4.33Å; F675-F852 HydrophobicContact CB-CZ 4.38Å; F675-F852 HydrophobicContact CD1-CE1 4.27Å; L802-F852 HydrophobicContact CB-CE2 4.05Å; L802-F852 HydrophobicContact CB-CZ 4.14Å; L802-F852 HydrophobicContact CD2-CE2 4.01Å; L802-F852 HydrophobicContact CD2-CZ 4.3Å; L806-F852 HydrophobicContact CD1-CE2 3.99Å; L806-F852 HydrophobicContact CD1-CZ 4Å; L806-F852 HydrophobicContact CD2-CB 4.49Å; L806-F852 HydrophobicContact CD2-CD1 4.15Å; L806-F852 HydrophobicContact CD2-CD2 3.5Å; L806-F852 HydrophobicContact CD2-CE1 4.24Å; L806-F852 HydrophobicContact CD2-CE2 3.62Å; L806-F852 HydrophobicContact CD2-CG 3.78Å; L806-F852 HydrophobicContact CD2-CZ 3.99Å; L806-F852 HydrophobicContact CG-CD2 3.79Å; L806-F852 HydrophobicContact CG-CE2 3.47Å; L806-F852 VanDerWaalsContact CG-CE2 3.47Å; L806-F852 HydrophobicContact CG-CZ 3.96Å; L809-F852 HydrophobicContact CD1-CB 3.73Å; L809-F852 HydrophobicContact CD1-CD2 4.14Å; L809-F852 HydrophobicContact CD1-CG 4.42Å; A848-F852 WeakPolarHBondContact O-CB 3.2Å; A848-F852 PolarHBondContact O-N 2.74Å; L849-F852 WeakPolarHBondContact O-CB 3.29Å; L849-F852 PolarHBondContact O-N 3.05Å; K850-F852 VanDerWaalsContact C-N 3.34Å; K850-F852 PolarHBondContact O-N 2.9Å; F852-F856 HydrophobicContact CD2-CB 4.25Å; F852-F856 WeakPolarHBondContact O-CB 3.22Å; F852-F856 PolarHBondContact O-N 3.14Å; F852-M857 HydrophobicContact CD1-CG 4.02Å; F852-M857 HydrophobicContact CD1-SD 4.04Å; F852-M857 HydrophobicContact CE1-CG 3.75Å; F852-M857 HydrophobicContact CE1-SD 3.8Å; F852-M857 HydrophobicContact CZ-CG 4.16Å; F852-M857 WeakPolarHBondContact O-CG 3.4Å; F852-M857 PolarHBondContact O-N 2.97Å
853Q91Very high92.3Very high83 Ų8355.8 Ų55.839%0.38828%0.284SS..Iπ-helixtrans-76.6-38.4-176.3-69.5-178.7-40.500113.9L849 K850 T851 M857 P858L849-Q853 HydrophobicContact CD1-CG 3.98Å; L849-Q853 HydrophobicContact CG-CG 4.31Å; L849-Q853 WeakPolarHBondContact O-CB 3.37Å; L849-Q853 WeakPolarHBondContact O-CG 3.45Å; L849-Q853 PolarHBondContact O-N 3.49Å; K850-Q853 PolarHBondContact O-N 3.49Å; T851-Q853 PolarHBondContact O-N 3.49Å; Q853-M857 HydrophobicContact CB-SD 4.44Å; Q853-M857 HydrophobicContact CG-SD 4.02Å; Q853-P858 WeakPolarHBondContact O-CD 3.48Å
854E90.8Very high92.3Very high105 Ų10554.8 Ų54.849%0.49128%0.279SS..Iπ-helixtrans-89.4-27.1-174.2-64.9-175.5175.600113.1K850K850-E854 WeakPolarHBondContact CE-OE1 3.41Å; K850-E854 WeakPolarHBondContact CE-OE2 3.45Å; K850-E854 HydrophobicContact CG-CG 4.13Å; K850-E854 VanDerWaalsContact O-CB 3.25Å; K850-E854 WeakPolarHBondContact O-CB 3.47Å; K850-E854 WeakPolarHBondContact O-CG 3.15Å; K850-E854 PolarHBondContact O-N 3.08Å
855E90.4Very high92.4Very high95 Ų9553.6 Ų53.644%0.44427%0.269SS..Iπ-helixtrans-112.7-48.9-174-52.3-173.5-167.500112.5T851 V859 V868T851-E855 HydrophobicContact CG2-CB 4.33Å; T851-E855 HydrophobicContact CG2-CG 4.25Å; T851-E855 WeakPolarHBondContact O-CA 3.45Å; T851-E855 VanDerWaalsContact O-CB 3.25Å; T851-E855 WeakPolarHBondContact O-CB 3.31Å; T851-E855 PolarHBondContact O-N 3.28Å; E855-V859 WeakPolarHBondContact O-CG2 3.48Å; E855-V868 HydrophobicContact CB-CG1 3.87Å
856F93.6Very high92.4Very high8 Ų853.6 Ų53.64%0.03527%0.269CS..Iπ-helixtrans-84.8-47.9-175.2-75-79.1000114.5L802 A805 L809 T851 F852 P858 V859 F865 V868 A869L802-F856 HydrophobicContact CD2-CB 3.97Å; A805-F856 HydrophobicContact CB-CB 4.44Å; A805-F856 HydrophobicContact CB-CD1 3.43Å; A805-F856 VanDerWaalsContact CB-CD1 3.43Å; A805-F856 HydrophobicContact CB-CD2 4.14Å; A805-F856 HydrophobicContact CB-CE1 3.52Å; A805-F856 HydrophobicContact CB-CE2 4.21Å; A805-F856 HydrophobicContact CB-CG 3.76Å; A805-F856 HydrophobicContact CB-CZ 3.91Å; L809-F856 HydrophobicContact CD1-CD2 4.04Å; L809-F856 HydrophobicContact CD1-CE2 4.07Å; L809-F856 HydrophobicContact CD2-CE2 4.18Å; L809-F856 HydrophobicContact CG-CE2 4.17Å; T851-F856 HydrophobicContact CG2-CD2 4.41Å; T851-F856 HydrophobicContact CG2-CE2 4.22Å; T851-F856 PolarHBondContact O-N 2.88Å; F852-F856 HydrophobicContact CD2-CB 4.25Å; F852-F856 WeakPolarHBondContact O-CB 3.22Å; F852-F856 PolarHBondContact O-N 3.14Å; F856-P858 VanDerWaalsContact C-CD 3.44Å; F856-P858 VanDerWaalsContact C-N 3.33Å; F856-V859 WeakPolarHBondContact O-CB 3.29Å; F856-V859 WeakPolarHBondContact O-CG2 3.37Å; F856-V859 PolarHBondContact O-N 3.21Å; F856-V859 VanDerWaalsContact O-N 3.16Å; F856-F865 HydrophobicContact CD1-CD2 4.13Å; F856-F865 AromaticContact CD1-CE2 3.79Å; F856-F865 HydrophobicContact CD1-CE2 3.79Å; F856-F865 HydrophobicContact CE1-CD2 4.45Å; F856-F865 AromaticContact CE1-CE2 3.97Å; F856-F865 HydrophobicContact CE1-CE2 3.97Å; F856-F865 HydrophobicContact CE1-CZ 4.48Å; F856-V868 HydrophobicContact CD1-CG1 3.87Å; F856-V868 HydrophobicContact CD2-CG1 4.24Å; F856-V868 HydrophobicContact CE1-CB 4.36Å; F856-V868 HydrophobicContact CE1-CG1 3.75Å; F856-V868 HydrophobicContact CE2-CG1 4.14Å; F856-V868 HydrophobicContact CG-CG1 4.13Å; F856-V868 HydrophobicContact CZ-CG1 3.9Å; F856-A869 HydrophobicContact CE1-CB 4.15Å
857M91.4Very high92.5Very high27 Ų2755.9 Ų55.913%0.13328%0.281CS..THydrogen-bonded Turntrans-57.6-35.5-179.6-73.2-173.668.600114.1E678 R798 F852 Q853 V859E678-M857 HydrophobicContact CG-CE 3.72Å; E678-M857 VanDerWaalsContact OE2-CE 3.24Å; E678-M857 WeakPolarHBondContact OE2-CE 3.44Å; R798-M857 VanDerWaalsContact CZ-O 3.29Å; R798-M857 PolarHBondContact NH1-O 3.08Å; R798-M857 PolarHBondContact NH2-O 3.34Å; F852-M857 HydrophobicContact CD1-CG 4.02Å; F852-M857 HydrophobicContact CD1-SD 4.04Å; F852-M857 HydrophobicContact CE1-CG 3.75Å; F852-M857 HydrophobicContact CE1-SD 3.8Å; F852-M857 HydrophobicContact CZ-CG 4.16Å; F852-M857 WeakPolarHBondContact O-CG 3.4Å; F852-M857 PolarHBondContact O-N 2.97Å; Q853-M857 HydrophobicContact CB-SD 4.44Å; Q853-M857 HydrophobicContact CG-SD 4.02Å; M857-V859 VanDerWaalsContact C-N 3.25Å; M857-V859 PolarHBondContact O-N 3.18Å
858P91.9Very high92.5Very high71 Ų7151.8 Ų51.846%0.46127%0.268SS..THydrogen-bonded Turntrans-74.6-7178.8-21.136.3000115.4Q853 F856Q853-P858 WeakPolarHBondContact O-CD 3.48Å; F856-P858 VanDerWaalsContact C-CD 3.44Å; F856-P858 VanDerWaalsContact C-N 3.33Å
859V90.4Very high92.4Very high6 Ų651.8 Ų51.84%0.03627%0.268CS..  trans-65.2133.5-177.7174.70000111.1Y794 R798 E855 F856 M857 T861 E864 F865 V868Y794-V859 VanDerWaalsContact CE1-O 3.26Å; Y794-V859 WeakPolarHBondContact CE1-O 3.22Å; Y794-V859 HydrophobicContact CE2-CG1 4.31Å; Y794-V859 WeakPolarHBondContact OH-CG1 3.35Å; R798-V859 PolarHBondContact NH1-O 3.15Å; E855-V859 WeakPolarHBondContact O-CG2 3.48Å; F856-V859 WeakPolarHBondContact O-CB 3.29Å; F856-V859 WeakPolarHBondContact O-CG2 3.37Å; F856-V859 PolarHBondContact O-N 3.21Å; F856-V859 VanDerWaalsContact O-N 3.16Å; M857-V859 VanDerWaalsContact C-N 3.25Å; M857-V859 PolarHBondContact O-N 3.18Å; V859-T861 WeakPolarHBondContact CG1-O 3.25Å; V859-E864 HydrophobicContact CG1-CB 3.73Å; V859-F865 HydrophobicContact CG1-CB 3.86Å; V859-V868 HydrophobicContact CG2-CG2 4.09Å
860E89.7Confident92.2Very high151 Ų15153.2 Ų53.271%0.70629%0.285SS*.  trans-114.9-11.6-178.1-64.4-171.5169.800113.3Y794 E864Y794-E860 WeakPolarHBondContact CB-O 3.24Å; Y794-E860 WeakPolarHBondContact CD1-O 3.37Å; Y794-E860 VanDerWaalsContact CG-O 3.23Å; E860-E864 PolarHBondContact N-OE2 3.15Å
861T92.2Very high92.3Very high60 Ų6048.2 Ų48.237%0.36826%0.264SS..SBendtrans-132.6158-179.571.70000113.2Y794 V859 S863 E864 F865Y794-T861 VanDerWaalsContact CD2-C 3.42Å; Y794-T861 VanDerWaalsContact CE2-C 3.47Å; Y794-T861 WeakPolarHBondContact CE2-O 3.45Å; V859-T861 WeakPolarHBondContact CG1-O 3.25Å; T861-S863 VanDerWaalsContact C-N 3.33Å; T861-S863 PolarHBondContact O-N 3.08Å; T861-E864 PolarHBondContact N-OE2 2.79Å; T861-E864 PolarHBondContact O-N 3.31Å; T861-E864 WeakPolarHBondContact OG1-CB 3.37Å; T861-E864 VanDerWaalsContact OG1-CG 3.22Å; T861-E864 WeakPolarHBondContact OG1-CG 3.36Å; T861-E864 PolarHBondContact OG1-N 2.98Å; T861-E864 PolarHBondContact OG1-OE2 3.08Å; T861-F865 PolarHBondContact O-N 2.79Å; T861-F865 VanDerWaalsContact O-N 3.09Å
862F93Very high92Very high20 Ų2050.3 Ų50.39%0.08827%0.273CS..Hα-helixtrans-64.7-37.7177.1-176.4-116000112.1L770 Y794 L801 F865 L866 F881 L882L770-F862 HydrophobicContact CD1-CE2 3.96Å; L770-F862 HydrophobicContact CD1-CZ 3.99Å; L770-F862 HydrophobicContact CD2-CE2 4.26Å; Y794-F862 HydrophobicContact CD2-CB 4.49Å; L801-F862 HydrophobicContact CD1-CD2 4.02Å; L801-F862 HydrophobicContact CD2-CD2 4.13Å; L801-F862 HydrophobicContact CD2-CE2 3.9Å; F862-F865 WeakPolarHBondContact O-CB 3.44Å; F862-F865 PolarHBondContact O-N 2.76Å; F862-L866 HydrophobicContact CD1-CD1 4.19Å; F862-L866 HydrophobicContact CE1-CD1 3.68Å; F862-L866 HydrophobicContact CE1-CD2 4.46Å; F862-L866 HydrophobicContact CE1-CG 4.16Å; F862-L866 HydrophobicContact CE2-CD2 4.18Å; F862-L866 HydrophobicContact CE2-CG 4.4Å; F862-L866 HydrophobicContact CZ-CD1 3.99Å; F862-L866 HydrophobicContact CZ-CD2 3.93Å; F862-L866 HydrophobicContact CZ-CG 4.1Å; F862-L866 WeakPolarHBondContact O-CG 3.44Å; F862-L866 PolarHBondContact O-N 2.8Å; F862-F881 HydrophobicContact CE1-CB 4.41Å; F862-F881 AromaticContact CE1-CD1 3.83Å; F862-F881 HydrophobicContact CE1-CD1 3.83Å; F862-F881 HydrophobicContact CE1-CG 4.49Å; F862-F881 AromaticContact CZ-CD1 3.73Å; F862-F881 HydrophobicContact CZ-CD1 3.73Å; F862-F881 HydrophobicContact CZ-CE1 4.08Å; F862-L882 HydrophobicContact CB-CD1 4.08Å; F862-L882 HydrophobicContact CD1-CD1 3.61Å; F862-L882 HydrophobicContact CD1-CG 3.97Å; F862-L882 HydrophobicContact CD2-CD1 4.14Å; F862-L882 HydrophobicContact CE1-CD1 4.03Å; F862-L882 HydrophobicContact CE1-CG 3.86Å; F862-L882 HydrophobicContact CG-CD1 3.67Å; F862-L882 HydrophobicContact CG-CG 4.37Å; F862-L882 HydrophobicContact CZ-CD1 4.46Å; F862-L882 HydrophobicContact CZ-CG 4.16Å
863S90.8Very high91.5Very high59 Ų5955 Ų5541%0.41331%0.306SS..Hα-helixtrans-65.7-43178-170.60000112.3T861 F865 L866 D867T861-S863 VanDerWaalsContact C-N 3.33Å; T861-S863 PolarHBondContact O-N 3.08Å; S863-F865 VanDerWaalsContact C-N 3.28Å; S863-F865 PolarHBondContact O-N 3.12Å; S863-L866 PolarHBondContact O-N 3.49Å; S863-D867 PolarHBondContact O-N 3.4Å; S863-D867 VanDerWaalsContact O-N 3.12Å
864E92.3Very high91.3Very high93 Ų9354.8 Ų54.844%0.43531%0.305SS..Hα-helixtrans-61-39.2173.9-76.7171.8173.400111.3V859 E860 T861 L866 D867 V868V859-E864 HydrophobicContact CG1-CB 3.73Å; E860-E864 PolarHBondContact N-OE2 3.15Å; T861-E864 PolarHBondContact N-OE2 2.79Å; T861-E864 PolarHBondContact O-N 3.31Å; T861-E864 WeakPolarHBondContact OG1-CB 3.37Å; T861-E864 VanDerWaalsContact OG1-CG 3.22Å; T861-E864 WeakPolarHBondContact OG1-CG 3.36Å; T861-E864 PolarHBondContact OG1-N 2.98Å; T861-E864 PolarHBondContact OG1-OE2 3.08Å; E864-L866 PolarHBondContact O-N 3.15Å; E864-D867 PolarHBondContact O-N 2.89Å; E864-V868 WeakPolarHBondContact O-CG2 3.32Å; E864-V868 PolarHBondContact O-N 2.85Å
865F95.2Very high91.3Very high0 Ų050 Ų500%028%0.283CS..Hα-helixtrans-60-46.1175.8179.8-93.7000111.6L766 L801 W804 A805 F856 V859 T861 F862 S863 D867 V868 A869L766-F865 HydrophobicContact CD1-CE1 4.49Å; L801-F865 HydrophobicContact CB-CD1 4.39Å; L801-F865 HydrophobicContact CB-CD2 3.86Å; L801-F865 HydrophobicContact CB-CE1 4.21Å; L801-F865 HydrophobicContact CB-CE2 3.63Å; L801-F865 HydrophobicContact CB-CG 4.22Å; L801-F865 HydrophobicContact CB-CZ 3.81Å; L801-F865 HydrophobicContact CD1-CG 4.36Å; L801-F865 HydrophobicContact CD2-CD1 3.51Å; L801-F865 HydrophobicContact CD2-CD2 4.48Å; L801-F865 HydrophobicContact CD2-CE1 3.42Å; L801-F865 VanDerWaalsContact CD2-CE1 3.42Å; L801-F865 HydrophobicContact CD2-CE2 4.4Å; L801-F865 HydrophobicContact CD2-CG 4.05Å; L801-F865 HydrophobicContact CD2-CZ 3.89Å; L801-F865 HydrophobicContact CG-CD1 4.36Å; L801-F865 HydrophobicContact CG-CE1 4.38Å; L801-F865 HydrophobicContact CG-CG 4.44Å; L801-F865 HydrophobicContact CG-CZ 4.46Å; L801-F865 VanDerWaalsContact O-CE2 3.25Å; L801-F865 WeakPolarHBondContact O-CE2 3.2Å; L801-F865 WeakPolarHBondContact O-CZ 3.37Å; W804-F865 HydrophobicContact CE3-CE1 4.24Å; W804-F865 AromaticContact CE3-CZ 3.81Å; W804-F865 HydrophobicContact CE3-CZ 3.81Å; W804-F865 HydrophobicContact CZ3-CZ 4.36Å; A805-F865 HydrophobicContact CB-CE2 4.06Å; A805-F865 HydrophobicContact CB-CZ 4.32Å; F856-F865 HydrophobicContact CD1-CD2 4.13Å; F856-F865 AromaticContact CD1-CE2 3.79Å; F856-F865 HydrophobicContact CD1-CE2 3.79Å; F856-F865 HydrophobicContact CE1-CD2 4.45Å; F856-F865 AromaticContact CE1-CE2 3.97Å; F856-F865 HydrophobicContact CE1-CE2 3.97Å; F856-F865 HydrophobicContact CE1-CZ 4.48Å; V859-F865 HydrophobicContact CG1-CB 3.86Å; T861-F865 PolarHBondContact O-N 2.79Å; T861-F865 VanDerWaalsContact O-N 3.09Å; F862-F865 WeakPolarHBondContact O-CB 3.44Å; F862-F865 PolarHBondContact O-N 2.76Å; S863-F865 VanDerWaalsContact C-N 3.28Å; S863-F865 PolarHBondContact O-N 3.12Å; F865-D867 VanDerWaalsContact C-N 3.28Å; F865-D867 PolarHBondContact O-N 2.82Å; F865-V868 PolarHBondContact O-N 2.72Å; F865-A869 HydrophobicContact CD1-CB 4.38Å; F865-A869 HydrophobicContact CE1-CB 4.07Å; F865-A869 HydrophobicContact CZ-CB 4.36Å; F865-A869 WeakPolarHBondContact O-CB 3.14Å; F865-A869 PolarHBondContact O-N 3.17Å
866L94.3Very high90.6Very high0 Ų051.9 Ų51.90%030%0.301CS..Hα-helixtrans-64.2-32.8179.4-65.5-175.8000112.7L766 F862 S863 E864 G870 L871 L872 I875 P878L766-L866 HydrophobicContact CD2-CD2 4.28Å; F862-L866 HydrophobicContact CD1-CD1 4.19Å; F862-L866 HydrophobicContact CE1-CD1 3.68Å; F862-L866 HydrophobicContact CE1-CD2 4.46Å; F862-L866 HydrophobicContact CE1-CG 4.16Å; F862-L866 HydrophobicContact CE2-CD2 4.18Å; F862-L866 HydrophobicContact CE2-CG 4.4Å; F862-L866 HydrophobicContact CZ-CD1 3.99Å; F862-L866 HydrophobicContact CZ-CD2 3.93Å; F862-L866 HydrophobicContact CZ-CG 4.1Å; F862-L866 WeakPolarHBondContact O-CG 3.44Å; F862-L866 PolarHBondContact O-N 2.8Å; S863-L866 PolarHBondContact O-N 3.49Å; E864-L866 PolarHBondContact O-N 3.15Å; L866-G870 PolarHBondContact O-N 3.18Å; L866-L871 HydrophobicContact CB-CB 4.34Å; L866-L871 HydrophobicContact CD2-CB 3.87Å; L866-L871 HydrophobicContact CD2-CD1 3.75Å; L866-L871 HydrophobicContact CD2-CG 4.49Å; L866-L871 PolarHBondContact O-N 3.46Å; L866-L872 HydrophobicContact CB-CD2 3.9Å; L866-L872 HydrophobicContact CB-CG 4.42Å; L866-L872 PolarHBondContact O-N 3.37Å; L866-I875 HydrophobicContact CD1-CB 4.06Å; L866-I875 HydrophobicContact CD1-CD1 4.24Å; L866-I875 HydrophobicContact CD1-CG2 3.7Å; L866-I875 HydrophobicContact CD2-CD1 3.73Å; L866-P878 HydrophobicContact CD1-CB 3.79Å; L866-P878 HydrophobicContact CD1-CG 3.87Å
867D91.8Very high90.2Very high106 Ų10655.2 Ų55.257%0.56732%0.32SS*.Hα-helixtrans-65.4-55173.7-170.322.9000111.1S863 E864 F865 A869 G870 L872S863-D867 PolarHBondContact O-N 3.4Å; S863-D867 VanDerWaalsContact O-N 3.12Å; E864-D867 PolarHBondContact O-N 2.89Å; F865-D867 VanDerWaalsContact C-N 3.28Å; F865-D867 PolarHBondContact O-N 2.82Å; D867-A869 VanDerWaalsContact C-N 3.3Å; D867-A869 PolarHBondContact O-N 3.17Å; D867-G870 PolarHBondContact O-N 2.9Å; D867-L872 HydrophobicContact CB-CD1 3.74Å; D867-L872 HydrophobicContact CB-CG 4.34Å; D867-L872 WeakPolarHBondContact OD1-CD1 3.41Å
868V92.8Very high89.7Confident52 Ų5255 Ų5532%0.31532%0.32SS..Hα-helixtrans-61.5-38.2179.7178.10000111.8E855 F856 V859 E864 F865 G870E855-V868 HydrophobicContact CB-CG1 3.87Å; F856-V868 HydrophobicContact CD1-CG1 3.87Å; F856-V868 HydrophobicContact CD2-CG1 4.24Å; F856-V868 HydrophobicContact CE1-CB 4.36Å; F856-V868 HydrophobicContact CE1-CG1 3.75Å; F856-V868 HydrophobicContact CE2-CG1 4.14Å; F856-V868 HydrophobicContact CG-CG1 4.13Å; F856-V868 HydrophobicContact CZ-CG1 3.9Å; V859-V868 HydrophobicContact CG2-CG2 4.09Å; E864-V868 WeakPolarHBondContact O-CG2 3.32Å; E864-V868 PolarHBondContact O-N 2.85Å; F865-V868 PolarHBondContact O-N 2.72Å; V868-G870 PolarHBondContact O-N 2.76Å
869A92.3Very high88.9Confident8 Ų860.1 Ų60.17%0.06634%0.338CS..THydrogen-bonded Turntrans-72.4-8176.500000113.9W804 F856 F865 D867 L871W804-A869 HydrophobicContact CH2-CB 4.28Å; W804-A869 HydrophobicContact CZ3-CB 3.79Å; F856-A869 HydrophobicContact CE1-CB 4.15Å; F865-A869 HydrophobicContact CD1-CB 4.38Å; F865-A869 HydrophobicContact CE1-CB 4.07Å; F865-A869 HydrophobicContact CZ-CB 4.36Å; F865-A869 WeakPolarHBondContact O-CB 3.14Å; F865-A869 PolarHBondContact O-N 3.17Å; D867-A869 VanDerWaalsContact C-N 3.3Å; D867-A869 PolarHBondContact O-N 3.17Å; A869-L871 VanDerWaalsContact C-N 3.31Å; A869-L871 HydrophobicContact CB-CB 4.46Å; A869-L871 HydrophobicContact CB-CD1 3.81Å; A869-L871 HydrophobicContact CB-CG 3.83Å; A869-L871 PolarHBondContact O-N 3.34Å
870G91.7Very high88.7Confident41 Ų4161.5 Ų61.542%0.42335%0.348SS..THydrogen-bonded Turntrans63.535.9-175.600000112.9R762 L866 D867 V868R762-G870 PolarHBondContact NH2-O 2.94Å; L866-G870 PolarHBondContact O-N 3.18Å; D867-G870 PolarHBondContact O-N 2.9Å; V868-G870 PolarHBondContact O-N 2.76Å
871L92.8Very high88.9Confident0 Ų055.3 Ų55.30%032%0.318CS..  trans-103.1-5.9-177.4-69.5177.2000113.6V763 L766 W804 L866 A869 S873 E874 I875V763-L871 HydrophobicContact CG2-CD2 4.04Å; L766-L871 HydrophobicContact CD2-CD1 3.64Å; W804-L871 HydrophobicContact CH2-CD1 3.7Å; W804-L871 HydrophobicContact CH2-CD2 4.04Å; W804-L871 HydrophobicContact CH2-CG 4.05Å; W804-L871 HydrophobicContact CZ2-CD1 3.98Å; W804-L871 HydrophobicContact CZ2-CD2 4.23Å; W804-L871 HydrophobicContact CZ3-CD1 4.2Å; L866-L871 HydrophobicContact CB-CB 4.34Å; L866-L871 HydrophobicContact CD2-CB 3.87Å; L866-L871 HydrophobicContact CD2-CD1 3.75Å; L866-L871 HydrophobicContact CD2-CG 4.49Å; L866-L871 PolarHBondContact O-N 3.46Å; A869-L871 VanDerWaalsContact C-N 3.31Å; A869-L871 HydrophobicContact CB-CB 4.46Å; A869-L871 HydrophobicContact CB-CD1 3.81Å; A869-L871 HydrophobicContact CB-CG 3.83Å; A869-L871 PolarHBondContact O-N 3.34Å; L871-S873 PolarHBondContact O-N 3.33Å; L871-S873 VanDerWaalsContact O-N 3.15Å; L871-E874 PolarHBondContact O-N 2.88Å; L871-I875 PolarHBondContact O-N 3.34Å
872L87.5Confident88.8Confident70 Ų7053 Ų5337%0.36630%0.304SS..THydrogen-bonded Turntrans-60.7-23.5179.4-68.5177.9000113.9L866 D867 E874 P878L866-L872 HydrophobicContact CB-CD2 3.9Å; L866-L872 HydrophobicContact CB-CG 4.42Å; L866-L872 PolarHBondContact O-N 3.37Å; D867-L872 HydrophobicContact CB-CD1 3.74Å; D867-L872 HydrophobicContact CB-CG 4.34Å; D867-L872 WeakPolarHBondContact OD1-CD1 3.41Å; L872-E874 VanDerWaalsContact C-N 3.34Å; L872-P878 HydrophobicContact CD2-CG 3.96Å
873S85.2Confident88.8Confident100 Ų10058 Ų5870%0.69933%0.325SS*.THydrogen-bonded Turntrans-75.9-21.8173.152.40000113.6L871L871-S873 PolarHBondContact O-N 3.33Å; L871-S873 VanDerWaalsContact O-N 3.15Å
874E88Confident88.9Confident79 Ų7959.4 Ų59.437%0.36933%0.328SS..THydrogen-bonded Turntrans-103.5-27.8-177.3-69.1166.1-115.900112R762 V763 L871 L872R762-E874 IonicContact CZ-OE1 2.88Å; R762-E874 IonicContact NE-OE1 2.92Å; R762-E874 PolarHBondContact NE-OE1 3.29Å; R762-E874 IonicContact NE-OE2 3.53Å; R762-E874 IonicContact NH2-OE1 3.74Å; R762-E874 PolarHBondContact NH2-OE1 3Å; V763-E874 HydrophobicContact CG2-CB 4.04Å; V763-E874 WeakPolarHBondContact CG2-OE2 3.47Å; L871-E874 PolarHBondContact O-N 2.88Å; L872-E874 VanDerWaalsContact C-N 3.34Å
875I89.4Confident89Confident5 Ų555.3 Ų55.33%0.02631%0.31CS..  trans-119.193.4177.1-60.3170.4000107.9V763 L766 L866 L871 F881V763-I875 HydrophobicContact CG1-CD1 4.19Å; V763-I875 HydrophobicContact CG1-CG1 4.23Å; L766-I875 HydrophobicContact CD2-CD1 4.25Å; L866-I875 HydrophobicContact CD1-CB 4.06Å; L866-I875 HydrophobicContact CD1-CD1 4.24Å; L866-I875 HydrophobicContact CD1-CG2 3.7Å; L866-I875 HydrophobicContact CD2-CD1 3.73Å; L871-I875 PolarHBondContact O-N 3.34Å; I875-F881 HydrophobicContact CB-CD2 4.42Å; I875-F881 HydrophobicContact CD1-CD2 4.28Å; I875-F881 HydrophobicContact CD1-CE1 4.13Å; I875-F881 HydrophobicContact CD1-CE2 3.81Å; I875-F881 HydrophobicContact CD1-CZ 3.72Å; I875-F881 HydrophobicContact CG1-CD2 4.11Å; I875-F881 HydrophobicContact CG1-CE2 3.79Å; I875-F881 HydrophobicContact CG1-CZ 4.23Å; I875-F881 HydrophobicContact CG2-CB 3.85Å; I875-F881 HydrophobicContact CG2-CD1 4.47Å; I875-F881 HydrophobicContact CG2-CD2 3.52Å; I875-F881 HydrophobicContact CG2-CE2 4.11Å; I875-F881 HydrophobicContact CG2-CG 3.71Å
876T77.3Confident89Confident134 Ų13455.3 Ų55.382%0.82231%0.31SS*.SBendtrans-78.9-17.9-172.453.80000114.4
877D85.3Confident88.9Confident78 Ų7859.6 Ų59.642%0.41733%0.332SS..  trans-130.386.9175.9-170.9-15.1000110.7E879 S880 F881D877-E879 PolarHBondContact O-N 2.93Å; D877-E879 PolarHBondContact OD1-N 3.18Å; D877-E879 VanDerWaalsContact OD1-N 3.16Å; D877-S880 PolarHBondContact OD1-N 3.44Å; D877-S880 WeakPolarHBondContact OD2-CB 3.49Å; D877-S880 PolarHBondContact OD2-OG 2.99Å; D877-F881 WeakPolarHBondContact O-CB 3.33Å; D877-F881 PolarHBondContact O-N 3.25Å
878P80.7Confident88.9Confident23 Ų2356.8 Ų56.815%0.14932%0.321CS..Hα-helixtrans-58-32.7177.5-28.537.5000114.5L866 L872L866-P878 HydrophobicContact CD1-CB 3.79Å; L866-P878 HydrophobicContact CD1-CG 3.87Å; L872-P878 HydrophobicContact CD2-CG 3.96Å
879E74.6Confident88.8Confident178 Ų17854.3 Ų54.383%0.83231%0.306SS*.Hα-helixtrans-76.1-40.2-174.9-67.2-172.1175.200111.3D877D877-E879 PolarHBondContact O-N 2.93Å; D877-E879 PolarHBondContact OD1-N 3.18Å; D877-E879 VanDerWaalsContact OD1-N 3.16Å
880S86.8Confident88.3Confident34 Ų3456.6 Ų56.624%0.23832%0.32CS..Hα-helixtrans-80.6-29176.196.10000112.6D877 L882 K883 D884D877-S880 PolarHBondContact OD1-N 3.44Å; D877-S880 WeakPolarHBondContact OD2-CB 3.49Å; D877-S880 PolarHBondContact OD2-OG 2.99Å; S880-L882 PolarHBondContact O-N 3.02Å; S880-K883 WeakPolarHBondContact O-CB 3.39Å; S880-K883 PolarHBondContact O-N 2.83Å; S880-D884 WeakPolarHBondContact CB-OD2 3.19Å; S880-D884 WeakPolarHBondContact O-CB 3.46Å; S880-D884 VanDerWaalsContact O-CG 3.25Å; S880-D884 PolarHBondContact O-N 2.8Å; S880-D884 PolarHBondContact OG-OD2 2.71Å
881F92.7Very high88.1Confident21 Ų2157.4 Ų57.49%0.09232%0.315CS..Hα-helixtrans-52.9-50.7-170.3-178.7-94.5000113.8V763 R767 L770 F862 I875 D877 L885V763-F881 HydrophobicContact CG1-CZ 4.44Å; R767-F881 HydrophobicContact CG-CE1 4.27Å; R767-F881 HydrophobicContact CG-CE2 4.41Å; R767-F881 HydrophobicContact CG-CZ 3.6Å; L770-F881 HydrophobicContact CD1-CD1 4.47Å; L770-F881 HydrophobicContact CD1-CE1 3.84Å; F862-F881 HydrophobicContact CE1-CB 4.41Å; F862-F881 AromaticContact CE1-CD1 3.83Å; F862-F881 HydrophobicContact CE1-CD1 3.83Å; F862-F881 HydrophobicContact CE1-CG 4.49Å; F862-F881 AromaticContact CZ-CD1 3.73Å; F862-F881 HydrophobicContact CZ-CD1 3.73Å; F862-F881 HydrophobicContact CZ-CE1 4.08Å; I875-F881 HydrophobicContact CB-CD2 4.42Å; I875-F881 HydrophobicContact CD1-CD2 4.28Å; I875-F881 HydrophobicContact CD1-CE1 4.13Å; I875-F881 HydrophobicContact CD1-CE2 3.81Å; I875-F881 HydrophobicContact CD1-CZ 3.72Å; I875-F881 HydrophobicContact CG1-CD2 4.11Å; I875-F881 HydrophobicContact CG1-CE2 3.79Å; I875-F881 HydrophobicContact CG1-CZ 4.23Å; I875-F881 HydrophobicContact CG2-CB 3.85Å; I875-F881 HydrophobicContact CG2-CD1 4.47Å; I875-F881 HydrophobicContact CG2-CD2 3.52Å; I875-F881 HydrophobicContact CG2-CE2 4.11Å; I875-F881 HydrophobicContact CG2-CG 3.71Å; D877-F881 WeakPolarHBondContact O-CB 3.33Å; D877-F881 PolarHBondContact O-N 3.25Å; F881-L885 HydrophobicContact CE1-CD2 4.31Å; F881-L885 WeakPolarHBondContact O-CB 3Å; F881-L885 PolarHBondContact O-N 3.2Å
882L90.8Very high87.9Confident11 Ų1160.4 Ų60.46%0.05833%0.332CS..Hα-helixtrans-64.2-44.1179.4-82.4168.4000111.2L770 V791 Y797 F862 S880 L885 L886L770-L882 HydrophobicContact CB-CD2 4.29Å; L770-L882 HydrophobicContact CD1-CD2 3.79Å; L770-L882 HydrophobicContact CD2-CD2 3.92Å; L770-L882 HydrophobicContact CG-CD2 4.21Å; V791-L882 HydrophobicContact CG1-CB 4.25Å; V791-L882 HydrophobicContact CG1-CD1 4.12Å; V791-L882 HydrophobicContact CG2-CB 4.07Å; Y797-L882 HydrophobicContact CE1-CD2 4.47Å; Y797-L882 HydrophobicContact CE2-CD1 4.45Å; F862-L882 HydrophobicContact CB-CD1 4.08Å; F862-L882 HydrophobicContact CD1-CD1 3.61Å; F862-L882 HydrophobicContact CD1-CG 3.97Å; F862-L882 HydrophobicContact CD2-CD1 4.14Å; F862-L882 HydrophobicContact CE1-CD1 4.03Å; F862-L882 HydrophobicContact CE1-CG 3.86Å; F862-L882 HydrophobicContact CG-CD1 3.67Å; F862-L882 HydrophobicContact CG-CG 4.37Å; F862-L882 HydrophobicContact CZ-CD1 4.46Å; F862-L882 HydrophobicContact CZ-CG 4.16Å; S880-L882 PolarHBondContact O-N 3.02Å; L882-L885 PolarHBondContact O-N 3.47Å; L882-L886 VanDerWaalsContact O-CG 3.27Å; L882-L886 WeakPolarHBondContact O-CG 3.43Å; L882-L886 PolarHBondContact O-N 2.81Å
883K92.4Very high87.9Confident125 Ų12559.9 Ų59.954%0.54333%0.33SS..Hα-helixtrans-63.7-45.8-179.6-174.5179.6178.8-177.50111.4V791 S880 L886 N887V791-K883 HydrophobicContact CG2-CB 4.15Å; S880-K883 WeakPolarHBondContact O-CB 3.39Å; S880-K883 PolarHBondContact O-N 2.83Å; K883-L886 PolarHBondContact O-N 3.23Å; K883-N887 WeakPolarHBondContact O-CB 3.39Å; K883-N887 VanDerWaalsContact O-CG 3.23Å; K883-N887 PolarHBondContact O-N 3.42Å; K883-N887 PolarHBondContact O-ND2 2.83Å
884D93.8Very high88.1Confident89 Ų8957.5 Ų57.548%0.47631%0.308SS..Hα-helixtrans-66.9-39.8179.4-65.2-23.9000111.1S880 N887 S888S880-D884 WeakPolarHBondContact CB-OD2 3.19Å; S880-D884 WeakPolarHBondContact O-CB 3.46Å; S880-D884 VanDerWaalsContact O-CG 3.25Å; S880-D884 PolarHBondContact O-N 2.8Å; S880-D884 PolarHBondContact OG-OD2 2.71Å; D884-N887 PolarHBondContact O-N 3.36Å; D884-S888 WeakPolarHBondContact O-CB 3.19Å; D884-S888 PolarHBondContact O-N 3.34Å
885L94.6Very high88.1Confident8 Ų856.2 Ų56.24%0.04230%0.304CS..Hα-helixtrans-58.7-53.1174.1174.560.1000111.4W732 R767 L770 V771 F881 L882 N887 S888W732-L885 HydrophobicContact CZ3-CD1 4Å; R767-L885 HydrophobicContact CB-CD1 3.78Å; R767-L885 HydrophobicContact CB-CD2 4.04Å; R767-L885 HydrophobicContact CG-CD1 3.93Å; R767-L885 HydrophobicContact CG-CD2 4.1Å; L770-L885 HydrophobicContact CB-CD2 3.83Å; L770-L885 HydrophobicContact CD1-CD2 4.07Å; V771-L885 HydrophobicContact CG2-CD1 3.94Å; V771-L885 HydrophobicContact CG2-CD2 4.12Å; V771-L885 HydrophobicContact CG2-CG 3.89Å; F881-L885 HydrophobicContact CE1-CD2 4.31Å; F881-L885 WeakPolarHBondContact O-CB 3Å; F881-L885 PolarHBondContact O-N 3.2Å; L882-L885 PolarHBondContact O-N 3.47Å; L885-N887 VanDerWaalsContact C-N 3.31Å; L885-N887 PolarHBondContact O-N 3.33Å; L885-S888 WeakPolarHBondContact O-CB 2.97Å; L885-S888 PolarHBondContact O-N 3.37Å; L885-S888 PolarHBondContact O-OG 3.02Å
886L93.8Very high88Confident0 Ų059.6 Ų59.60%032%0.323CS..Hα-helixtrans-64.2-36.3-179.1-65.3-175.9000112.3Q774 L786 K789 V791 L882 K883 S888 V889Q774-L886 HydrophobicContact CB-CD2 3.72Å; Q774-L886 HydrophobicContact CG-CD1 4.02Å; Q774-L886 HydrophobicContact CG-CD2 3.66Å; Q774-L886 HydrophobicContact CG-CG 4.48Å; L786-L886 HydrophobicContact CD1-CD2 4.07Å; K789-L886 HydrophobicContact CB-CB 4.46Å; K789-L886 WeakPolarHBondContact O-CD1 3.49Å; V791-L886 HydrophobicContact CG2-CD1 4.17Å; L882-L886 VanDerWaalsContact O-CG 3.27Å; L882-L886 WeakPolarHBondContact O-CG 3.43Å; L882-L886 PolarHBondContact O-N 2.81Å; K883-L886 PolarHBondContact O-N 3.23Å; L886-S888 VanDerWaalsContact C-N 3.25Å; L886-S888 PolarHBondContact O-N 2.96Å; L886-V889 PolarHBondContact O-N 3.1Å
887N93.1Very high88.7Confident89 Ų8954.3 Ų54.348%0.47629%0.287SS..Hα-helixtrans-68.5-24.6174.6-73.5-33.8000113.2K883 D884 L885 V889K883-N887 WeakPolarHBondContact O-CB 3.39Å; K883-N887 VanDerWaalsContact O-CG 3.23Å; K883-N887 PolarHBondContact O-N 3.42Å; K883-N887 PolarHBondContact O-ND2 2.83Å; D884-N887 PolarHBondContact O-N 3.36Å; L885-N887 VanDerWaalsContact C-N 3.31Å; L885-N887 PolarHBondContact O-N 3.33Å; N887-V889 VanDerWaalsContact C-N 3.33Å
888S92.6Very high89Confident47 Ų4752.5 Ų52.533%0.32928%0.277SS..THydrogen-bonded Turntrans-80.3-11.6-179.681.40000114.5K729 D884 L885 L886K729-S888 WeakPolarHBondContact CD-O 3.38Å; K729-S888 VanDerWaalsContact NZ-CB 3.31Å; K729-S888 PolarHBondContact NZ-OG 2.84Å; D884-S888 WeakPolarHBondContact O-CB 3.19Å; D884-S888 PolarHBondContact O-N 3.34Å; L885-S888 WeakPolarHBondContact O-CB 2.97Å; L885-S888 PolarHBondContact O-N 3.37Å; L885-S888 PolarHBondContact O-OG 3.02Å; L886-S888 VanDerWaalsContact C-N 3.25Å; L886-S888 PolarHBondContact O-N 2.96Å
889V90.6Very high89.7Confident1 Ų154.9 Ų54.91%0.00629%0.288CS..  trans-103.9140.6178.9-179.40000108.7W732 V733 V771 L786 K789 L886 N887W732-V889 HydrophobicContact CB-CG1 4.46Å; W732-V889 HydrophobicContact CE3-CG2 3.92Å; W732-V889 HydrophobicContact CZ3-CG2 4.47Å; V733-V889 HydrophobicContact CG2-CG1 3.47Å; V733-V889 VanDerWaalsContact CG2-CG1 3.47Å; V771-V889 HydrophobicContact CG1-CG1 4.23Å; V771-V889 HydrophobicContact CG1-CG2 4.32Å; V771-V889 HydrophobicContact CG2-CG2 3.92Å; L786-V889 HydrophobicContact CD1-CB 4.33Å; L786-V889 HydrophobicContact CD1-CG1 4.35Å; K789-V889 WeakPolarHBondContact CE-O 3.45Å; K789-V889 PolarHBondContact NZ-O 2.6Å; L886-V889 PolarHBondContact O-N 3.1Å; N887-V889 VanDerWaalsContact C-N 3.33Å
890P80.8Confident91.1Very high56 Ų5643.7 Ų43.736%0.36424%0.238SC..  trans-62.20-173.614.1-23.6000115.9E730 L786 K789E730-P890 HydrophobicContact CB-CG 4.25Å; E730-P890 HydrophobicContact CG-CG 4.19Å; L786-P890 PolarHBondContact N-O 2.64Å; K789-P890 VanDerWaalsContact CE-OXT 3.31Å; K789-P890 WeakPolarHBondContact CE-OXT 3.27Å; K789-P890 VanDerWaalsContact NZ-C 3.3Å; K789-P890 PolarHBondContact NZ-OXT 3.46Å

Retrieved 890 of 890 residues in 205.2 ms (Link to these results)

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