A0A3Q2YRL6_HIPCM Loading...

Ubiquitin-ribosomal protein eL40 fusion protein

AlphaFold DB , UniProt , Accession A0A3Q2YRL6, Species HIPCM (Hippocampus comes, Tiger tail seahorse), Gene n/a, Length 128 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M94.2Very high93.9Very high69 Ų6966.4 Ų66.434%0.3436%0.36SS..  0160.4066.1179.5170.800110.3V17 P19 L56 I61 K63M1-V17 HydrophobicContact CE-CG2 4.1Å; M1-V17 HydrophobicContact CG-CG2 3.91Å; M1-V17 WeakPolarHBondContact CG-O 3.45Å; M1-V17 PolarHBondContact N-O 3.14Å; M1-V17 PolarHBondContact O-N 3.23Å; M1-P19 HydrophobicContact CE-CB 4.02Å; M1-P19 HydrophobicContact CE-CG 3.81Å; M1-P19 HydrophobicContact SD-CG 4.01Å; M1-L56 HydrophobicContact CE-CB 4.24Å; M1-L56 HydrophobicContact CE-CD1 4Å; M1-I61 WeakPolarHBondContact CE-O 3.19Å; M1-K63 HydrophobicContact CB-CB 4.25Å; M1-K63 HydrophobicContact CB-CG 4.43Å
2Q94.9Very high94Very high76 Ų7666.5 Ų66.536%0.35537%0.365SS..EExtended strand (participates in β ladder)trans-105.8136178.3-170.1175.717.400110.3L15 K63 E64Q2-L15 WeakPolarHBondContact CA-O 3.48Å; Q2-K63 CarbonylContact O-C 3.6Å; Q2-K63 WeakPolarHBondContact O-CA 3.45Å; Q2-E64 PolarHBondContact O-N 2.75Å
3I97.1Very high94.2Very high0 Ų062.1 Ų62.10%034%0.341CS..EExtended strand (participates in β ladder)trans-128.9162.7173.564.2169.8000110.5L15 V17 L56 I61 L67I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 2.86Å; I3-L15 PolarHBondContact O-N 3.1Å; I3-V17 HydrophobicContact CB-CG2 4.42Å; I3-V17 HydrophobicContact CD1-CG1 4.04Å; I3-V17 HydrophobicContact CD1-CG2 3.84Å; I3-V17 HydrophobicContact CG1-CG1 4.23Å; I3-V17 HydrophobicContact CG1-CG2 3.78Å; I3-V17 HydrophobicContact CG2-CG2 3.87Å; I3-L56 HydrophobicContact CD1-CD1 4.42Å; I3-I61 HydrophobicContact CG2-CG2 4.12Å; I3-L67 HydrophobicContact CB-CD1 4.5Å; I3-L67 HydrophobicContact CD1-CD1 4.01Å
4F97.3Very high94.3Very high54 Ų5462.1 Ų62.124%0.23734%0.344CS..EExtended strand (participates in β ladder)trans-112.5140.2177.7-57.1-73.6000110.9T12 I13 T14 E64 S65 T66 L67F4-T12 HydrophobicContact CB-CG2 3.99Å; F4-T12 HydrophobicContact CD1-CG2 3.99Å; F4-T12 HydrophobicContact CG-CG2 4.35Å; F4-I13 CarbonylContact C-O 3.6Å; F4-I13 WeakPolarHBondContact CA-O 3.34Å; F4-T14 HydrophobicContact CD1-CG2 3.83Å; F4-T14 HydrophobicContact CE1-CG2 3.74Å; F4-E64 HydrophobicContact CE2-CB 3.98Å; F4-E64 HydrophobicContact CE2-CG 3.98Å; F4-S65 PolarHBondContact N-O 3.3Å; F4-T66 HydrophobicContact CB-CG2 4.46Å; F4-T66 CarbonylContact O-C 3.53Å; F4-T66 WeakPolarHBondContact O-CA 3.24Å; F4-L67 PolarHBondContact O-N 3.36Å
5V97Very high94.5Very high0 Ų058.1 Ų58.10%032%0.322CS..EExtended strand (participates in β ladder)trans-121.7115.5173.5-177.30000108.6T12 I13 L15 I30 L43 L67 L69V5-T12 CarbonylContact O-C 3.57Å; V5-T12 WeakPolarHBondContact O-CA 3.42Å; V5-I13 HydrophobicContact CB-CB 4.34Å; V5-I13 PolarHBondContact N-O 3.38Å; V5-I13 PolarHBondContact O-N 3.47Å; V5-L15 HydrophobicContact CG2-CD1 3.57Å; V5-L15 HydrophobicContact CG2-CG 4.3Å; V5-I30 HydrophobicContact CG1-CD1 4.29Å; V5-I30 HydrophobicContact CG2-CD1 4.33Å; V5-L43 HydrophobicContact CG1-CD2 4.23Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.24Å; V5-L67 HydrophobicContact CG2-CB 4.39Å; V5-L69 HydrophobicContact CG1-CB 3.63Å
6K97.1Very high94.6Very high88 Ų8864.3 Ų64.338%0.38335%0.347SS..EExtended strand (participates in β ladder)trans-94.8127176.1-75.6-172.6179.4-179.30110.8K11 T12 T66 L67 H68 L69K6-K11 WeakPolarHBondContact CA-O 3.19Å; K6-T12 HydrophobicContact CG-CG2 4.33Å; K6-T66 HydrophobicContact CB-CG2 4.31Å; K6-T66 HydrophobicContact CD-CG2 3.82Å; K6-T66 HydrophobicContact CG-CG2 3.78Å; K6-L67 PolarHBondContact N-O 3.01Å; K6-H68 CarbonylContact O-C 3.54Å; K6-H68 WeakPolarHBondContact O-CA 3.42Å; K6-L69 PolarHBondContact O-N 2.91Å
7T93.4Very high94.6Very high23 Ų2360.7 Ų60.714%0.14133%0.328CS..EExtended strand (participates in β ladder)trans-81.3164.5172.167.10000110.9T9 G10 K11 I13 L69T7-T9 PolarHBondContact O-N 2.85Å; T7-T9 VanDerWaalsContact O-N 3.16Å; T7-T9 PolarHBondContact OG1-N 3.05Å; T7-T9 PolarHBondContact OG1-OG1 2.76Å; T7-G10 PolarHBondContact O-N 3.13Å; T7-K11 HydrophobicContact CG2-CB 4.38Å; T7-K11 PolarHBondContact N-O 2.78Å; T7-K11 WeakPolarHBondContact OG1-CB 3.32Å; T7-K11 PolarHBondContact OG1-N 3.17Å; T7-K11 VanDerWaalsContact OG1-N 3.16Å; T7-K11 PolarHBondContact OG1-O 3.15Å; T7-I13 HydrophobicContact CG2-CD1 3.96Å; T7-L69 HydrophobicContact CG2-CD2 4.38Å
8L89.4Confident94.7Very high134 Ų13464.1 Ų64.170%0.70234%0.341SS*.THydrogen-bonded Turntrans-57.1-25170.9-67.4178.7000113.9G10 V70L8-G10 PolarHBondContact O-N 2.94Å; L8-V70 HydrophobicContact CD1-CG1 4.22Å; L8-V70 HydrophobicContact CD2-CG2 4Å; L8-V70 HydrophobicContact CG-CG2 4.44Å
9T88.6Confident94.7Very high128 Ų12864.2 Ų64.279%0.78535%0.346SS*.THydrogen-bonded Turntrans-83.60.9178.656.90000112.9T7 K11T7-T9 PolarHBondContact O-N 2.85Å; T7-T9 VanDerWaalsContact O-N 3.16Å; T7-T9 PolarHBondContact OG1-N 3.05Å; T7-T9 PolarHBondContact OG1-OG1 2.76Å; T9-K11 VanDerWaalsContact C-N 3.31Å; T9-K11 PolarHBondContact O-N 3.5Å
10G89.8Confident94.7Very high56 Ų5664.6 Ų64.658%0.57735%0.354SS*.SBendtrans830.4-178.500000114.7T7 L8T7-G10 PolarHBondContact O-N 3.13Å; L8-G10 PolarHBondContact O-N 2.94Å
11K94.1Very high94.7Very high102 Ų10262.4 Ų62.444%0.44334%0.342SS..  trans-68.8133.7174-175.8-179.5172.2-1710109.3K6 T7 T9 E34K6-K11 WeakPolarHBondContact CA-O 3.19Å; T7-K11 HydrophobicContact CG2-CB 4.38Å; T7-K11 PolarHBondContact N-O 2.78Å; T7-K11 WeakPolarHBondContact OG1-CB 3.32Å; T7-K11 PolarHBondContact OG1-N 3.17Å; T7-K11 VanDerWaalsContact OG1-N 3.16Å; T7-K11 PolarHBondContact OG1-O 3.15Å; T9-K11 VanDerWaalsContact C-N 3.31Å; T9-K11 PolarHBondContact O-N 3.5Å; K11-E34 WeakPolarHBondContact CE-OE1 3.5Å; K11-E34 IonicContact NZ-OE1 2.71Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 2.78Å; K11-E34 PolarHBondContact NZ-OE2 3.02Å
12T95.7Very high94.9Very high68 Ų6861 Ų6142%0.41734%0.337SS..EExtended strand (participates in β ladder)trans-106125.6175.7-55.30000109.6F4 V5 K6F4-T12 HydrophobicContact CB-CG2 3.99Å; F4-T12 HydrophobicContact CD1-CG2 3.99Å; F4-T12 HydrophobicContact CG-CG2 4.35Å; V5-T12 CarbonylContact O-C 3.57Å; V5-T12 WeakPolarHBondContact O-CA 3.42Å; K6-T12 HydrophobicContact CG-CG2 4.33Å
13I95.6Very high95Very high9 Ų957.3 Ų57.35%0.04632%0.32CS..EExtended strand (participates in β ladder)trans-106.9131.5177.8-55.4156000107.7F4 V5 T7 L15 K33 E34F4-I13 CarbonylContact C-O 3.6Å; F4-I13 WeakPolarHBondContact CA-O 3.34Å; V5-I13 HydrophobicContact CB-CB 4.34Å; V5-I13 PolarHBondContact N-O 3.38Å; V5-I13 PolarHBondContact O-N 3.47Å; T7-I13 HydrophobicContact CG2-CD1 3.96Å; I13-L15 HydrophobicContact CG2-CD2 4.19Å; I13-L15 HydrophobicContact CG2-CG 4.42Å; I13-K33 HydrophobicContact CG2-CD 4.16Å; I13-E34 HydrophobicContact CD1-CG 3.5Å; I13-E34 VanDerWaalsContact CD1-CG 3.5Å; I13-E34 HydrophobicContact CG1-CG 4.22Å
14T96.7Very high94.9Very high63 Ų6363.1 Ų63.139%0.38735%0.347SS..EExtended strand (participates in β ladder)trans-92.5132.4174.452.20000110F4 K33F4-T14 HydrophobicContact CD1-CG2 3.83Å; F4-T14 HydrophobicContact CE1-CG2 3.74Å; T14-K33 PolarHBondContact O-NZ 3.26Å
15L96.2Very high94.8Very high2 Ų264.1 Ų64.11%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-126.5139.1177.1-63.6175.8000111.2Q2 I3 V5 I13 V17 V26 K29 I30 K33Q2-L15 WeakPolarHBondContact CA-O 3.48Å; I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 2.86Å; I3-L15 PolarHBondContact O-N 3.1Å; V5-L15 HydrophobicContact CG2-CD1 3.57Å; V5-L15 HydrophobicContact CG2-CG 4.3Å; I13-L15 HydrophobicContact CG2-CD2 4.19Å; I13-L15 HydrophobicContact CG2-CG 4.42Å; L15-V17 HydrophobicContact CB-CG1 4.08Å; L15-V26 HydrophobicContact CD1-CG1 4.12Å; L15-K29 HydrophobicContact CD2-CB 4.32Å; L15-I30 HydrophobicContact CD1-CD1 4.16Å; L15-I30 HydrophobicContact CD1-CG1 3.63Å; L15-K33 HydrophobicContact CD2-CD 3.79Å
16E96.1Very high94.8Very high156 Ų15664.1 Ų64.173%0.72936%0.355SS*.EExtended strand (participates in β ladder)trans-95.8119.8168.1-67.2-171.6168.200109.2K29E16-K29 PolarHBondContact O-NZ 2.91Å
17V95.9Very high94.7Very high4 Ų460.6 Ų60.62%0.02434%0.34CS..  trans-140.4156.6-171.5-61.30000111.2M1 I3 L15 D21 V26 K29 L56M1-V17 HydrophobicContact CE-CG2 4.1Å; M1-V17 HydrophobicContact CG-CG2 3.91Å; M1-V17 WeakPolarHBondContact CG-O 3.45Å; M1-V17 PolarHBondContact N-O 3.14Å; M1-V17 PolarHBondContact O-N 3.23Å; I3-V17 HydrophobicContact CB-CG2 4.42Å; I3-V17 HydrophobicContact CD1-CG1 4.04Å; I3-V17 HydrophobicContact CD1-CG2 3.84Å; I3-V17 HydrophobicContact CG1-CG1 4.23Å; I3-V17 HydrophobicContact CG1-CG2 3.78Å; I3-V17 HydrophobicContact CG2-CG2 3.87Å; L15-V17 HydrophobicContact CB-CG1 4.08Å; V17-D21 WeakPolarHBondContact CA-OD2 3.5Å; V17-V26 HydrophobicContact CG1-CG2 4.23Å; V17-K29 HydrophobicContact CG1-CD 4.23Å; V17-L56 HydrophobicContact CB-CD1 3.73Å; V17-L56 HydrophobicContact CG1-CD1 4.32Å; V17-L56 HydrophobicContact CG2-CD1 3.51Å
18E95.8Very high94.8Very high121 Ų12161.2 Ų61.257%0.56535%0.347SS*.  trans-100.4148.9169-62.9-170.616900110.3S20 D21E18-S20 WeakPolarHBondContact CB-OG 3.39Å; E18-S20 PolarHBondContact O-N 3.47Å; E18-S20 VanDerWaalsContact O-N 3.16Å; E18-S20 PolarHBondContact OE2-OG 3.15Å; E18-D21 PolarHBondContact N-OD2 3.3Å; E18-D21 VanDerWaalsContact O-CB 3.26Å; E18-D21 WeakPolarHBondContact O-CB 3.42Å; E18-D21 PolarHBondContact O-N 2.82Å
19P93.8Very high95.2Very high66 Ų6658 Ų5843%0.42933%0.328SS..THydrogen-bonded Turntrans-57-29.1176-23.733.3000113.6M1 D21 L56 S57M1-P19 HydrophobicContact CE-CB 4.02Å; M1-P19 HydrophobicContact CE-CG 3.81Å; M1-P19 HydrophobicContact SD-CG 4.01Å; P19-D21 VanDerWaalsContact C-N 3.31Å; P19-L56 PolarHBondContact O-N 3.45Å; P19-S57 PolarHBondContact O-N 3.08Å; P19-S57 PolarHBondContact O-OG 2.88Å; P19-S57 VanDerWaalsContact O-OG 3.07Å
20S95.1Very high95.5Very high73 Ų7351.9 Ų51.951%0.5129%0.29SS..THydrogen-bonded Turntrans-74-13.6174.441.30000114.2E18 T22E18-S20 WeakPolarHBondContact CB-OG 3.39Å; E18-S20 PolarHBondContact O-N 3.47Å; E18-S20 VanDerWaalsContact O-N 3.16Å; E18-S20 PolarHBondContact OE2-OG 3.15Å; S20-T22 PolarHBondContact O-N 3.07Å
21D96.1Very high95.7Very high19 Ų1953.1 Ų53.110%0.10228%0.281CS..  trans-60.9132.1178.5-82.5-30.6000109.8V17 E18 P19 N25 V26 K29 T55 L56V17-D21 WeakPolarHBondContact CA-OD2 3.5Å; E18-D21 PolarHBondContact N-OD2 3.3Å; E18-D21 VanDerWaalsContact O-CB 3.26Å; E18-D21 WeakPolarHBondContact O-CB 3.42Å; E18-D21 PolarHBondContact O-N 2.82Å; P19-D21 VanDerWaalsContact C-N 3.31Å; D21-N25 HydrophobicContact CB-CB 4.41Å; D21-V26 HydrophobicContact CB-CG2 4.28Å; D21-K29 IonicContact OD2-NZ 2.64Å; D21-K29 PolarHBondContact OD2-NZ 2.95Å; D21-T55 CarbonylContact O-C 3.56Å; D21-T55 WeakPolarHBondContact O-CA 3.47Å; D21-L56 HydrophobicContact CB-CD1 4.27Å; D21-L56 PolarHBondContact O-N 3.31Å
22T97Very high95.6Very high38 Ų3854.6 Ų54.623%0.23329%0.294CS..BIsolated β-bridgetrans-71.6157.3170.762.20000110.6S20 E24 N25 V26 R54 T55S20-T22 PolarHBondContact O-N 3.07Å; T22-E24 PolarHBondContact O-N 3.38Å; T22-N25 WeakPolarHBondContact O-CB 3.35Å; T22-N25 PolarHBondContact O-N 2.96Å; T22-N25 VanDerWaalsContact O-N 3.09Å; T22-N25 PolarHBondContact OG1-N 2.82Å; T22-N25 PolarHBondContact OG1-OD1 2.94Å; T22-V26 WeakPolarHBondContact O-CG2 3.47Å; T22-V26 PolarHBondContact O-N 2.81Å; T22-R54 CarbonylContact C-O 3.56Å; T22-R54 VanDerWaalsContact CA-O 3.31Å; T22-R54 WeakPolarHBondContact CA-O 3.45Å; T22-T55 HydrophobicContact CG2-CG2 4.46Å
23I96.6Very high95.5Very high0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-60.3-32.1173.8-61.2-54.1000111.2V26 K27 L43 L50 E51 R54 L56 Y59I23-V26 PolarHBondContact O-N 2.8Å; I23-K27 WeakPolarHBondContact O-CG 3.33Å; I23-K27 PolarHBondContact O-N 2.86Å; I23-L43 HydrophobicContact CG2-CD1 4.28Å; I23-L50 HydrophobicContact CD1-CB 4.01Å; I23-L50 HydrophobicContact CD1-CD1 3.64Å; I23-L50 HydrophobicContact CD1-CG 4.36Å; I23-L50 HydrophobicContact CG1-CB 3.96Å; I23-L50 HydrophobicContact CG2-CB 3.86Å; I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.37Å; I23-E51 VanDerWaalsContact CG1-O 3.28Å; I23-E51 WeakPolarHBondContact CG1-O 3.48Å; I23-R54 WeakPolarHBondContact CG1-O 3.34Å; I23-R54 PolarHBondContact N-O 3.39Å; I23-L56 HydrophobicContact CD1-CD2 3.85Å; I23-Y59 HydrophobicContact CD1-CD2 4.35Å; I23-Y59 HydrophobicContact CD1-CE2 4.46Å; I23-Y59 HydrophobicContact CG1-CD2 4.48Å; I23-Y59 HydrophobicContact CG1-CE2 4.14Å
24E96.3Very high95.2Very high121 Ų12159.5 Ų59.557%0.56531%0.31SS*.Hα-helixtrans-60.5-46.8171.9-172.1170-160.800112.3T22 V26 K27 A28 D52T22-E24 PolarHBondContact O-N 3.38Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.84Å; E24-K27 WeakPolarHBondContact O-CB 3.4Å; E24-K27 PolarHBondContact O-N 2.88Å; E24-K27 VanDerWaalsContact O-N 3.17Å; E24-A28 PolarHBondContact O-N 2.92Å; E24-D52 HydrophobicContact CB-CB 4.3Å; E24-D52 PolarHBondContact N-O 2.77Å
25N95.8Very high94.9Very high76 Ų7659.2 Ų59.241%0.40632%0.319SS..Hα-helixtrans-61.8-39.9176.4-68.3-5.1000111.7D21 T22 K27 A28 K29D21-N25 HydrophobicContact CB-CB 4.41Å; T22-N25 WeakPolarHBondContact O-CB 3.35Å; T22-N25 PolarHBondContact O-N 2.96Å; T22-N25 VanDerWaalsContact O-N 3.09Å; T22-N25 PolarHBondContact OG1-N 2.82Å; T22-N25 PolarHBondContact OG1-OD1 2.94Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.99Å; N25-A28 WeakPolarHBondContact O-CB 3.47Å; N25-A28 PolarHBondContact O-N 2.72Å; N25-K29 WeakPolarHBondContact O-CG 3.32Å; N25-K29 PolarHBondContact O-N 3.2Å
26V96.1Very high94.6Very high0 Ų060.6 Ų60.60%033%0.326CS..Hα-helixtrans-63.2-40.8176.6176.70000111L15 V17 D21 T22 I23 E24 K29 I30 L43 L56L15-V26 HydrophobicContact CD1-CG1 4.12Å; V17-V26 HydrophobicContact CG1-CG2 4.23Å; D21-V26 HydrophobicContact CB-CG2 4.28Å; T22-V26 WeakPolarHBondContact O-CG2 3.47Å; T22-V26 PolarHBondContact O-N 2.81Å; I23-V26 PolarHBondContact O-N 2.8Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.84Å; V26-K29 PolarHBondContact O-N 2.8Å; V26-I30 HydrophobicContact CG1-CD1 4.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.44Å; V26-I30 PolarHBondContact O-N 2.89Å; V26-I30 VanDerWaalsContact O-N 3.08Å; V26-L43 HydrophobicContact CB-CD1 4.47Å; V26-L43 HydrophobicContact CG1-CD1 3.89Å; V26-L56 HydrophobicContact CG2-CD1 3.89Å; V26-L56 HydrophobicContact CG2-CD2 4.07Å; V26-L56 HydrophobicContact CG2-CG 4.05Å
27K95.8Very high94.4Very high13 Ų1354.7 Ų54.76%0.05730%0.301CS..Hα-helixtrans-65.1-38.7175.3-71.8174.3171-173.90112.6I23 E24 N25 I30 Q31 P38 Q41 L43 D52I23-K27 WeakPolarHBondContact O-CG 3.33Å; I23-K27 PolarHBondContact O-N 2.86Å; E24-K27 WeakPolarHBondContact O-CB 3.4Å; E24-K27 PolarHBondContact O-N 2.88Å; E24-K27 VanDerWaalsContact O-N 3.17Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.99Å; K27-I30 PolarHBondContact O-N 3.44Å; K27-Q31 PolarHBondContact O-N 3.41Å; K27-P38 HydrophobicContact CB-CB 3.91Å; K27-P38 HydrophobicContact CB-CG 4.47Å; K27-P38 HydrophobicContact CD-CB 4.41Å; K27-Q41 VanDerWaalsContact CA-OE1 3.24Å; K27-Q41 HydrophobicContact CD-CB 4.29Å; K27-Q41 VanDerWaalsContact CE-O 3.32Å; K27-Q41 WeakPolarHBondContact CE-O 3.32Å; K27-Q41 HydrophobicContact CG-CB 4.12Å; K27-Q41 PolarHBondContact NZ-O 2.8Å; K27-Q41 PolarHBondContact O-NE2 2.73Å; K27-Q41 PolarHBondContact O-OE1 2.79Å; K27-L43 HydrophobicContact CG-CD1 3.93Å; K27-L43 HydrophobicContact CG-CG 4.43Å; K27-D52 WeakPolarHBondContact CD-OD1 3.28Å; K27-D52 WeakPolarHBondContact CE-OD1 3.29Å; K27-D52 IonicContact NZ-OD1 3.31Å; K27-D52 PolarHBondContact NZ-OD1 2.98Å; K27-D52 IonicContact NZ-OD2 2.82Å; K27-D52 PolarHBondContact NZ-OD2 2.92Å
28A95.6Very high94.2Very high37 Ų3756.1 Ų56.131%0.30631%0.311SS..Hα-helixtrans-60.6-45.8173.500000111.2E24 N25 I30 Q31 D32E24-A28 PolarHBondContact O-N 2.92Å; N25-A28 WeakPolarHBondContact O-CB 3.47Å; N25-A28 PolarHBondContact O-N 2.72Å; A28-I30 VanDerWaalsContact C-N 3.27Å; A28-I30 PolarHBondContact O-N 3.36Å; A28-Q31 WeakPolarHBondContact O-CA 3.41Å; A28-Q31 VanDerWaalsContact O-CB 3.24Å; A28-Q31 WeakPolarHBondContact O-CB 3.31Å; A28-Q31 PolarHBondContact O-N 3.47Å; A28-D32 PolarHBondContact O-N 3.25Å
29K96Very high93.9Very high66 Ų6654 Ų5429%0.28730%0.304SS..Hα-helixtrans-60-34.4175.2-69.7176.1176.7-178.20113.2L15 E16 V17 D21 N25 V26 K33L15-K29 HydrophobicContact CD2-CB 4.32Å; E16-K29 PolarHBondContact O-NZ 2.91Å; V17-K29 HydrophobicContact CG1-CD 4.23Å; D21-K29 IonicContact OD2-NZ 2.64Å; D21-K29 PolarHBondContact OD2-NZ 2.95Å; N25-K29 WeakPolarHBondContact O-CG 3.32Å; N25-K29 PolarHBondContact O-N 3.2Å; V26-K29 PolarHBondContact O-N 2.8Å; K29-K33 PolarHBondContact O-N 2.78Å
30I94.9Very high93.8Very high0 Ų053 Ų530%029%0.293CS..Hα-helixtrans-68.7-39.1173-67.8163.7000111V5 L15 V26 K27 A28 D32 K33 E34 L43 L69V5-I30 HydrophobicContact CG1-CD1 4.29Å; V5-I30 HydrophobicContact CG2-CD1 4.33Å; L15-I30 HydrophobicContact CD1-CD1 4.16Å; L15-I30 HydrophobicContact CD1-CG1 3.63Å; V26-I30 HydrophobicContact CG1-CD1 4.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.44Å; V26-I30 PolarHBondContact O-N 2.89Å; V26-I30 VanDerWaalsContact O-N 3.08Å; K27-I30 PolarHBondContact O-N 3.44Å; A28-I30 VanDerWaalsContact C-N 3.27Å; A28-I30 PolarHBondContact O-N 3.36Å; I30-D32 VanDerWaalsContact C-N 3.31Å; I30-D32 PolarHBondContact O-N 2.92Å; I30-K33 PolarHBondContact O-N 3.46Å; I30-E34 PolarHBondContact O-N 3.16Å; I30-L43 HydrophobicContact CD1-CD1 4.11Å; I30-L43 HydrophobicContact CD1-CD2 3.74Å; I30-L43 HydrophobicContact CD1-CG 4.44Å; I30-L69 HydrophobicContact CG2-CD2 3.99Å
31Q94.1Very high93.7Very high81 Ų8149.8 Ų49.838%0.37927%0.27SS..Hα-helixtrans-59.6-44.3175-178.7-175.24.400110.8K27 A28 K33 G35 I36 P38K27-Q31 PolarHBondContact O-N 3.41Å; A28-Q31 WeakPolarHBondContact O-CA 3.41Å; A28-Q31 VanDerWaalsContact O-CB 3.24Å; A28-Q31 WeakPolarHBondContact O-CB 3.31Å; A28-Q31 PolarHBondContact O-N 3.47Å; Q31-K33 PolarHBondContact O-N 3.5Å; Q31-G35 WeakPolarHBondContact O-CA 3.26Å; Q31-G35 PolarHBondContact O-N 3Å; Q31-I36 WeakPolarHBondContact CA-O 3.47Å; Q31-I36 VanDerWaalsContact CB-O 3.24Å; Q31-I36 WeakPolarHBondContact CB-O 3.4Å; Q31-I36 WeakPolarHBondContact CG-O 3.42Å; Q31-P38 HydrophobicContact CB-CG 4.43Å
32D93.5Very high93.6Very high134 Ų13453.5 Ų53.572%0.71728%0.282SS*.Hα-helixtrans-63.4-32-179.7-63.9-30.9000112.6A28 I30A28-D32 PolarHBondContact O-N 3.25Å; I30-D32 VanDerWaalsContact C-N 3.31Å; I30-D32 PolarHBondContact O-N 2.92Å
33K92.6Very high93.6Very high115 Ų11551.7 Ų51.750%0.527%0.272SS..Hα-helixtrans-87.6-40.8-179.2-68.2-164.3-178.9-1630114.5I13 T14 L15 K29 I30 Q31I13-K33 HydrophobicContact CG2-CD 4.16Å; T14-K33 PolarHBondContact O-NZ 3.26Å; L15-K33 HydrophobicContact CD2-CD 3.79Å; K29-K33 PolarHBondContact O-N 2.78Å; I30-K33 PolarHBondContact O-N 3.46Å; Q31-K33 PolarHBondContact O-N 3.5Å
34E90.4Very high93.6Very high65 Ų6553.9 Ų53.930%0.30428%0.283SS..Hα-helixtrans-111.8-8.2-172.8-63.4-68.312900113.6K11 I13 I30 I36K11-E34 WeakPolarHBondContact CE-OE1 3.5Å; K11-E34 IonicContact NZ-OE1 2.71Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 2.78Å; K11-E34 PolarHBondContact NZ-OE2 3.02Å; I13-E34 HydrophobicContact CD1-CG 3.5Å; I13-E34 VanDerWaalsContact CD1-CG 3.5Å; I13-E34 HydrophobicContact CG1-CG 4.22Å; I30-E34 PolarHBondContact O-N 3.16Å; E34-I36 VanDerWaalsContact C-N 3.26Å; E34-I36 HydrophobicContact CB-CD1 3.73Å; E34-I36 HydrophobicContact CB-CG1 3.98Å; E34-I36 HydrophobicContact CG-CD1 4.47Å; E34-I36 PolarHBondContact O-N 3.16Å
35G90.1Very high93.6Very high56 Ų5650.2 Ų50.258%0.57727%0.265SS*.  trans74.110.7-177.100000114.6Q31 P37Q31-G35 WeakPolarHBondContact O-CA 3.26Å; Q31-G35 PolarHBondContact O-N 3Å; G35-P37 WeakPolarHBondContact O-CD 3.41Å
36I89.6Confident93.5Very high31 Ų3150.9 Ų50.916%0.15928%0.281CS..  trans-85.9121.4-175.9-58.1162.5000109.4Q31 E34 Q40 Q41 L69 L71Q31-I36 WeakPolarHBondContact CA-O 3.47Å; Q31-I36 VanDerWaalsContact CB-O 3.24Å; Q31-I36 WeakPolarHBondContact CB-O 3.4Å; Q31-I36 WeakPolarHBondContact CG-O 3.42Å; E34-I36 VanDerWaalsContact C-N 3.26Å; E34-I36 HydrophobicContact CB-CD1 3.73Å; E34-I36 HydrophobicContact CB-CG1 3.98Å; E34-I36 HydrophobicContact CG-CD1 4.47Å; E34-I36 PolarHBondContact O-N 3.16Å; I36-Q40 HydrophobicContact CG2-CB 4.29Å; I36-Q41 HydrophobicContact CB-CG 4.35Å; I36-Q41 HydrophobicContact CG2-CG 3.67Å; I36-Q41 PolarHBondContact O-NE2 3.41Å; I36-L69 HydrophobicContact CD1-CD2 4.09Å; I36-L71 HydrophobicContact CD1-CD2 4.13Å; I36-L71 HydrophobicContact CG2-CD2 3.61Å
37P91.4Very high93.4Very high32 Ų3254.5 Ų54.521%0.20832%0.318CS..  trans-59.5139.2178.3-27.136.7000113.5G35 D39 Q40 Q41G35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-D39 WeakPolarHBondContact CB-OD1 3.49Å; P37-D39 PolarHBondContact O-N 2.79Å; P37-D39 VanDerWaalsContact O-N 3.13Å; P37-Q40 HydrophobicContact CB-CG 4.21Å; P37-Q40 HydrophobicContact CG-CG 4.49Å; P37-Q40 WeakPolarHBondContact O-CA 3.36Å; P37-Q40 WeakPolarHBondContact O-CB 3.4Å; P37-Q40 PolarHBondContact O-N 3.39Å; P37-Q41 WeakPolarHBondContact O-CG 3.13Å; P37-Q41 PolarHBondContact O-N 3.32Å
38P92.4Very high93.3Very high35 Ų3560.9 Ų60.923%0.22735%0.346CS..G310 helixtrans-56-31.5-177.6-30.336.6000114.7K27 Q31 Q40 Q41K27-P38 HydrophobicContact CB-CB 3.91Å; K27-P38 HydrophobicContact CB-CG 4.47Å; K27-P38 HydrophobicContact CD-CB 4.41Å; Q31-P38 HydrophobicContact CB-CG 4.43Å; P38-Q40 VanDerWaalsContact C-N 3.25Å; P38-Q40 PolarHBondContact O-N 3.16Å; P38-Q41 PolarHBondContact O-N 2.89Å; P38-Q41 VanDerWaalsContact O-N 3.13Å
39D89.8Confident93.2Very high77 Ų7763.3 Ų63.341%0.41235%0.351SS..G310 helixtrans-73-20.5179.180.1-57.8000113P37 R74P37-D39 WeakPolarHBondContact CB-OD1 3.49Å; P37-D39 PolarHBondContact O-N 2.79Å; P37-D39 VanDerWaalsContact O-N 3.13Å; D39-R74 IonicContact OD2-CZ 2.66Å; D39-R74 IonicContact OD2-NH1 3.88Å; D39-R74 PolarHBondContact OD2-NH1 3.3Å
40Q90.3Very high93.2Very high44 Ų4460.2 Ų60.221%0.20634%0.337CS..G310 helixtrans-90-6.9172.2-60.8-179.69.800112.3I36 P37 P38 L71 R72I36-Q40 HydrophobicContact CG2-CB 4.29Å; P37-Q40 HydrophobicContact CB-CG 4.21Å; P37-Q40 HydrophobicContact CG-CG 4.49Å; P37-Q40 WeakPolarHBondContact O-CA 3.36Å; P37-Q40 WeakPolarHBondContact O-CB 3.4Å; P37-Q40 PolarHBondContact O-N 3.39Å; P38-Q40 VanDerWaalsContact C-N 3.25Å; P38-Q40 PolarHBondContact O-N 3.16Å; Q40-L71 CarbonylContact O-C 3.54Å; Q40-L71 WeakPolarHBondContact O-CA 3.11Å; Q40-R72 PolarHBondContact O-N 3.28Å
41Q93.2Very high93.3Very high5 Ų565 Ų652%0.02336%0.36CS..EExtended strand (participates in β ladder)trans-94.1130.8-179.3-61.8178.335.200111.7K27 I36 P37 P38 L69K27-Q41 VanDerWaalsContact CA-OE1 3.24Å; K27-Q41 HydrophobicContact CD-CB 4.29Å; K27-Q41 VanDerWaalsContact CE-O 3.32Å; K27-Q41 WeakPolarHBondContact CE-O 3.32Å; K27-Q41 HydrophobicContact CG-CB 4.12Å; K27-Q41 PolarHBondContact NZ-O 2.8Å; K27-Q41 PolarHBondContact O-NE2 2.73Å; K27-Q41 PolarHBondContact O-OE1 2.79Å; I36-Q41 HydrophobicContact CB-CG 4.35Å; I36-Q41 HydrophobicContact CG2-CG 3.67Å; I36-Q41 PolarHBondContact O-NE2 3.41Å; P37-Q41 WeakPolarHBondContact O-CG 3.13Å; P37-Q41 PolarHBondContact O-N 3.32Å; P38-Q41 PolarHBondContact O-N 2.89Å; P38-Q41 VanDerWaalsContact O-N 3.13Å; Q41-L69 HydrophobicContact CB-CD1 3.79Å; Q41-L69 HydrophobicContact CG-CD1 4Å
42R94.9Very high93.2Very high97 Ų9764.6 Ų64.637%0.36636%0.36SS..EExtended strand (participates in β ladder)trans-121.2112.8166.8-176.3-179.1-111.8-177.7-8.5108.8I44 Q49 V70R42-I44 HydrophobicContact CG-CG1 4.39Å; R42-Q49 HydrophobicContact CG-CG 3.97Å; R42-Q49 VanDerWaalsContact NE-CD 3.31Å; R42-V70 WeakPolarHBondContact CA-O 3.5Å; R42-V70 HydrophobicContact CB-CB 4.38Å; R42-V70 WeakPolarHBondContact CB-O 3.44Å; R42-V70 PolarHBondContact N-O 2.97Å; R42-V70 PolarHBondContact O-N 2.88Å
43L96.1Very high93.2Very high1 Ų161.8 Ų61.81%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-92.6136.7175.7-64.2176.1000110.2V5 I23 V26 K27 I30 L50 L67 H68 L69V5-L43 HydrophobicContact CG1-CD2 4.23Å; I23-L43 HydrophobicContact CG2-CD1 4.28Å; V26-L43 HydrophobicContact CB-CD1 4.47Å; V26-L43 HydrophobicContact CG1-CD1 3.89Å; K27-L43 HydrophobicContact CG-CD1 3.93Å; K27-L43 HydrophobicContact CG-CG 4.43Å; I30-L43 HydrophobicContact CD1-CD1 4.11Å; I30-L43 HydrophobicContact CD1-CD2 3.74Å; I30-L43 HydrophobicContact CD1-CG 4.44Å; L43-L50 HydrophobicContact CB-CB 4.27Å; L43-L50 HydrophobicContact CB-CD1 3.95Å; L43-L50 HydrophobicContact CB-CG 4.28Å; L43-L50 PolarHBondContact O-N 2.99Å; L43-L67 HydrophobicContact CD1-CD2 4.43Å; L43-H68 WeakPolarHBondContact CA-O 3.47Å; L43-L69 HydrophobicContact CD2-CB 4.18Å; L43-L69 HydrophobicContact CD2-CD1 3.89Å
44I96.6Very high93.4Very high45 Ų4561.5 Ų61.523%0.23136%0.359CS..EExtended strand (participates in β ladder)trans-129.1131.7-178.5-55.7175000108.7R42 K48 H68 V70R42-I44 HydrophobicContact CG-CG1 4.39Å; I44-K48 VanDerWaalsContact CA-O 3.32Å; I44-K48 WeakPolarHBondContact CA-O 3.45Å; I44-H68 HydrophobicContact CB-CB 4.33Å; I44-H68 PolarHBondContact N-O 2.98Å; I44-H68 PolarHBondContact O-N 3.22Å; I44-V70 HydrophobicContact CD1-CB 4.44Å; I44-V70 HydrophobicContact CD1-CG2 3.66Å
45F96.8Very high93.7Very high45 Ų4559.8 Ų59.820%0.19735%0.353CS..EExtended strand (participates in β ladder)trans-137.2134.8174-176.2-113.3000109.5G47 K48 L50 I61 T66 L67F45-G47 PolarHBondContact O-N 3.31Å; F45-G47 VanDerWaalsContact O-N 3.1Å; F45-K48 PolarHBondContact N-O 3.33Å; F45-K48 PolarHBondContact O-N 2.64Å; F45-L50 HydrophobicContact CB-CD1 4.25Å; F45-L50 HydrophobicContact CB-CD2 3.99Å; F45-L50 HydrophobicContact CB-CG 4.38Å; F45-I61 HydrophobicContact CD1-CD1 4.23Å; F45-I61 HydrophobicContact CD1-CG1 3.76Å; F45-I61 HydrophobicContact CE1-CG1 3.8Å; F45-I61 HydrophobicContact CG-CD1 4.32Å; F45-I61 HydrophobicContact CG-CG1 4.17Å; F45-I61 HydrophobicContact CZ-CG1 4.26Å; F45-T66 WeakPolarHBondContact CD2-O 3.34Å; F45-L67 HydrophobicContact CB-CG 4.47Å; F45-L67 HydrophobicContact CD2-CD1 4.49Å; F45-L67 HydrophobicContact CD2-CG 4.4Å
46A93.9Very high93.9Very high89 Ų8957.1 Ų57.174%0.73633%0.326SS*.THydrogen-bonded Turntrans47.839.9-177.900000114.1K48A46-K48 PolarHBondContact O-N 3.17Å
47G92.7Very high94.2Very high76 Ų7658.3 Ų58.378%0.78434%0.336SS*.THydrogen-bonded Turntrans74.2-0-178.500000115.4F45F45-G47 PolarHBondContact O-N 3.31Å; F45-G47 VanDerWaalsContact O-N 3.1Å
48K94.3Very high94.4Very high148 Ų14861.2 Ų61.264%0.64335%0.35SS*.EExtended strand (participates in β ladder)trans-103.8136.2177.9-65.5-178-179.6177.70110.9I44 F45 A46I44-K48 VanDerWaalsContact CA-O 3.32Å; I44-K48 WeakPolarHBondContact CA-O 3.45Å; F45-K48 PolarHBondContact N-O 3.33Å; F45-K48 PolarHBondContact O-N 2.64Å; A46-K48 PolarHBondContact O-N 3.17Å
49Q94.7Very high94.5Very high87 Ų8761.2 Ų61.241%0.40735%0.346SS..EExtended strand (participates in β ladder)trans-70.5134.8168.4178.5-174.6-25.700109.1R42R42-Q49 HydrophobicContact CG-CG 3.97Å; R42-Q49 VanDerWaalsContact NE-CD 3.31Å
50L95.9Very high94.7Very high1 Ų163.9 Ų63.91%0.00536%0.36CS..PPolyproline II helixtrans-83140.3175.8-54.2-174.6000111.2I23 L43 F45 Y59 I61 L67I23-L50 HydrophobicContact CD1-CB 4.01Å; I23-L50 HydrophobicContact CD1-CD1 3.64Å; I23-L50 HydrophobicContact CD1-CG 4.36Å; I23-L50 HydrophobicContact CG1-CB 3.96Å; I23-L50 HydrophobicContact CG2-CB 3.86Å; L43-L50 HydrophobicContact CB-CB 4.27Å; L43-L50 HydrophobicContact CB-CD1 3.95Å; L43-L50 HydrophobicContact CB-CG 4.28Å; L43-L50 PolarHBondContact O-N 2.99Å; F45-L50 HydrophobicContact CB-CD1 4.25Å; F45-L50 HydrophobicContact CB-CD2 3.99Å; F45-L50 HydrophobicContact CB-CG 4.38Å; L50-Y59 HydrophobicContact CB-CE2 4.28Å; L50-Y59 HydrophobicContact CD2-CD1 3.66Å; L50-Y59 HydrophobicContact CD2-CD2 3.7Å; L50-Y59 HydrophobicContact CD2-CE1 3.73Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.65Å; L50-I61 HydrophobicContact CD1-CD1 4.01Å; L50-L67 HydrophobicContact CD1-CD2 3.65Å; L50-L67 HydrophobicContact CD1-CG 4.45Å
51E95.3Very high95Very high102 Ų10262 Ų6248%0.47735%0.352SS..PPolyproline II helixtrans-99.5137.3179.9-66.3174.8174.100110.9I23 G53 R54 Y59I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.37Å; I23-E51 VanDerWaalsContact CG1-O 3.28Å; I23-E51 WeakPolarHBondContact CG1-O 3.48Å; E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.48Å; E51-R54 HydrophobicContact CB-CG 4.39Å; E51-R54 PolarHBondContact O-N 3.08Å; E51-R54 IonicContact OE1-NH2 2.81Å; E51-R54 IonicContact OE2-CZ 3.83Å; E51-R54 VanDerWaalsContact OE2-CZ 3.29Å; E51-R54 IonicContact OE2-NE 2.96Å; E51-R54 PolarHBondContact OE2-NE 3.35Å; E51-R54 IonicContact OE2-NH2 3.29Å; E51-R54 PolarHBondContact OE2-NH2 3.05Å; E51-Y59 PolarHBondContact N-OH 3.13Å; E51-Y59 VanDerWaalsContact N-OH 3.14Å
52D93Very high95Very high71 Ų7168.6 Ų68.638%0.3838%0.382SS..THydrogen-bonded Turntrans-61.2-33.2-172.1-67-26000113.8E24 K27 R54E24-D52 HydrophobicContact CB-CB 4.3Å; E24-D52 PolarHBondContact N-O 2.77Å; K27-D52 WeakPolarHBondContact CD-OD1 3.28Å; K27-D52 WeakPolarHBondContact CE-OD1 3.29Å; K27-D52 IonicContact NZ-OD1 3.31Å; K27-D52 PolarHBondContact NZ-OD1 2.98Å; K27-D52 IonicContact NZ-OD2 2.82Å; K27-D52 PolarHBondContact NZ-OD2 2.92Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 3.33Å
53G93.2Very high95Very high76 Ų7669.9 Ų69.978%0.78439%0.391SS*.THydrogen-bonded Turntrans-82.73.4-179.100000115.9E51E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.48Å
54R96.1Very high94.9Very high109 Ų10975.1 Ų75.141%0.41142%0.415SS..SBendtrans-106.6159.4177-63.3-161.6-155.3-161.3-1.8111.3T22 I23 E51 D52 D58 Y59T22-R54 CarbonylContact C-O 3.56Å; T22-R54 VanDerWaalsContact CA-O 3.31Å; T22-R54 WeakPolarHBondContact CA-O 3.45Å; I23-R54 WeakPolarHBondContact CG1-O 3.34Å; I23-R54 PolarHBondContact N-O 3.39Å; E51-R54 HydrophobicContact CB-CG 4.39Å; E51-R54 PolarHBondContact O-N 3.08Å; E51-R54 IonicContact OE1-NH2 2.81Å; E51-R54 IonicContact OE2-CZ 3.83Å; E51-R54 VanDerWaalsContact OE2-CZ 3.29Å; E51-R54 IonicContact OE2-NE 2.96Å; E51-R54 PolarHBondContact OE2-NE 3.35Å; E51-R54 IonicContact OE2-NH2 3.29Å; E51-R54 PolarHBondContact OE2-NH2 3.05Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 3.33Å; R54-D58 HydrophobicContact CB-CB 4.22Å; R54-Y59 HydrophobicContact CB-CD2 4.35Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.4Å; R54-Y59 HydrophobicContact CG-CE2 4.31Å
55T96.7Very high94.9Very high29 Ų2974 Ų7418%0.17841%0.411CS..BIsolated β-bridgetrans-91.4165.6177.164.40000112.1D21 T22 S57 D58 Y59D21-T55 CarbonylContact O-C 3.56Å; D21-T55 WeakPolarHBondContact O-CA 3.47Å; T22-T55 HydrophobicContact CG2-CG2 4.46Å; T55-S57 VanDerWaalsContact C-N 3.27Å; T55-S57 PolarHBondContact O-N 2.78Å; T55-S57 PolarHBondContact OG1-OG 3.28Å; T55-D58 PolarHBondContact N-OD2 2.92Å; T55-D58 PolarHBondContact O-N 3.2Å; T55-D58 PolarHBondContact OG1-N 3.48Å; T55-D58 VanDerWaalsContact OG1-N 3.15Å; T55-D58 PolarHBondContact OG1-OD1 3.09Å; T55-D58 PolarHBondContact OG1-OD2 3.28Å; T55-Y59 WeakPolarHBondContact O-CD2 3.39Å
56L95.8Very high94.9Very high0 Ų074 Ų740%042%0.415CS..THydrogen-bonded Turntrans-61-37.4170-70.6178.3000111.9M1 I3 V17 P19 D21 I23 V26 D58 Y59 N60 I61M1-L56 HydrophobicContact CE-CB 4.24Å; M1-L56 HydrophobicContact CE-CD1 4Å; I3-L56 HydrophobicContact CD1-CD1 4.42Å; V17-L56 HydrophobicContact CB-CD1 3.73Å; V17-L56 HydrophobicContact CG1-CD1 4.32Å; V17-L56 HydrophobicContact CG2-CD1 3.51Å; P19-L56 PolarHBondContact O-N 3.45Å; D21-L56 HydrophobicContact CB-CD1 4.27Å; D21-L56 PolarHBondContact O-N 3.31Å; I23-L56 HydrophobicContact CD1-CD2 3.85Å; V26-L56 HydrophobicContact CG2-CD1 3.89Å; V26-L56 HydrophobicContact CG2-CD2 4.07Å; V26-L56 HydrophobicContact CG2-CG 4.05Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 2.71Å; L56-Y59 PolarHBondContact O-N 2.66Å; L56-N60 PolarHBondContact O-N 3.38Å; L56-I61 HydrophobicContact CB-CB 4.25Å; L56-I61 HydrophobicContact CD2-CB 4.19Å; L56-I61 HydrophobicContact CD2-CD1 3.49Å; L56-I61 VanDerWaalsContact CD2-CD1 3.49Å; L56-I61 HydrophobicContact CD2-CG1 4.42Å; L56-I61 HydrophobicContact CD2-CG2 4.14Å; L56-I61 WeakPolarHBondContact O-CB 3.47Å; L56-I61 PolarHBondContact O-N 3.13Å
57S94.9Very high95Very high55 Ų5569.8 Ų69.839%0.38538%0.38SS..G310 helixtrans-62.1-36.8174.939.80000113.3P19 T55 Y59 N60P19-S57 PolarHBondContact O-N 3.08Å; P19-S57 PolarHBondContact O-OG 2.88Å; P19-S57 VanDerWaalsContact O-OG 3.07Å; T55-S57 VanDerWaalsContact C-N 3.27Å; T55-S57 PolarHBondContact O-N 2.78Å; T55-S57 PolarHBondContact OG1-OG 3.28Å; S57-Y59 PolarHBondContact O-N 2.83Å; S57-Y59 VanDerWaalsContact O-N 3.15Å; S57-N60 PolarHBondContact O-N 3.42Å
58D95.1Very high95.3Very high93 Ų9370.8 Ų70.850%0.49736%0.364SS..G310 helixtrans-62.7-24.6179-63.7-36.9000112.8R54 T55 L56R54-D58 HydrophobicContact CB-CB 4.22Å; T55-D58 PolarHBondContact N-OD2 2.92Å; T55-D58 PolarHBondContact O-N 3.2Å; T55-D58 PolarHBondContact OG1-N 3.48Å; T55-D58 VanDerWaalsContact OG1-N 3.15Å; T55-D58 PolarHBondContact OG1-OD1 3.09Å; T55-D58 PolarHBondContact OG1-OD2 3.28Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 2.71Å
59Y95.6Very high95.3Very high36 Ų3664 Ų6414%0.14134%0.335CS..G310 helixtrans-98.76.6175.6-69.6-73.2000113.4I23 L50 E51 R54 T55 L56 S57 I61I23-Y59 HydrophobicContact CD1-CD2 4.35Å; I23-Y59 HydrophobicContact CD1-CE2 4.46Å; I23-Y59 HydrophobicContact CG1-CD2 4.48Å; I23-Y59 HydrophobicContact CG1-CE2 4.14Å; L50-Y59 HydrophobicContact CB-CE2 4.28Å; L50-Y59 HydrophobicContact CD2-CD1 3.66Å; L50-Y59 HydrophobicContact CD2-CD2 3.7Å; L50-Y59 HydrophobicContact CD2-CE1 3.73Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.65Å; E51-Y59 PolarHBondContact N-OH 3.13Å; E51-Y59 VanDerWaalsContact N-OH 3.14Å; R54-Y59 HydrophobicContact CB-CD2 4.35Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.4Å; R54-Y59 HydrophobicContact CG-CE2 4.31Å; T55-Y59 WeakPolarHBondContact O-CD2 3.39Å; L56-Y59 PolarHBondContact O-N 2.66Å; S57-Y59 PolarHBondContact O-N 2.83Å; S57-Y59 VanDerWaalsContact O-N 3.15Å; Y59-I61 PolarHBondContact O-N 3.37Å
60N94.6Very high95.2Very high132 Ų13261.7 Ų61.771%0.70633%0.327SS*.THydrogen-bonded Turntrans53.237.7-174-63.3-50.6000112.8L56 S57 Q62L56-N60 PolarHBondContact O-N 3.38Å; S57-N60 PolarHBondContact O-N 3.42Å; N60-Q62 PolarHBondContact O-N 2.93Å
61I95.3Very high94.9Very high6 Ų665.8 Ų65.83%0.03135%0.348CS..  trans-78.3117177.4-64.7168.3000108.3M1 I3 F45 L50 L56 Y59 L67M1-I61 WeakPolarHBondContact CE-O 3.19Å; I3-I61 HydrophobicContact CG2-CG2 4.12Å; F45-I61 HydrophobicContact CD1-CD1 4.23Å; F45-I61 HydrophobicContact CD1-CG1 3.76Å; F45-I61 HydrophobicContact CE1-CG1 3.8Å; F45-I61 HydrophobicContact CG-CD1 4.32Å; F45-I61 HydrophobicContact CG-CG1 4.17Å; F45-I61 HydrophobicContact CZ-CG1 4.26Å; L50-I61 HydrophobicContact CD1-CD1 4.01Å; L56-I61 HydrophobicContact CB-CB 4.25Å; L56-I61 HydrophobicContact CD2-CB 4.19Å; L56-I61 HydrophobicContact CD2-CD1 3.49Å; L56-I61 VanDerWaalsContact CD2-CD1 3.49Å; L56-I61 HydrophobicContact CD2-CG1 4.42Å; L56-I61 HydrophobicContact CD2-CG2 4.14Å; L56-I61 WeakPolarHBondContact O-CB 3.47Å; L56-I61 PolarHBondContact O-N 3.13Å; Y59-I61 PolarHBondContact O-N 3.37Å; I61-L67 HydrophobicContact CD1-CD2 4.29Å; I61-L67 HydrophobicContact CG2-CD1 4.11Å
62Q93.8Very high94.3Very high142 Ų14266.8 Ų66.866%0.66435%0.347SS*.  trans-102.7174.5-177.9-63.8-174.1-7.500111.6N60 E64 S65N60-Q62 PolarHBondContact O-N 2.93Å; Q62-E64 PolarHBondContact O-N 2.85Å; Q62-S65 PolarHBondContact N-OG 3.25Å; Q62-S65 WeakPolarHBondContact O-CB 3.47Å; Q62-S65 PolarHBondContact O-N 2.97Å; Q62-S65 VanDerWaalsContact O-N 3.17Å; Q62-S65 PolarHBondContact O-OG 3.24Å
63K94.9Very high93.2Very high125 Ų12571.5 Ų71.554%0.54337%0.372SS..THydrogen-bonded Turntrans-51.1141.5169.3-169.9-169.6175.7-135.20110.1M1 Q2 S65M1-K63 HydrophobicContact CB-CB 4.25Å; M1-K63 HydrophobicContact CB-CG 4.43Å; Q2-K63 CarbonylContact O-C 3.6Å; Q2-K63 WeakPolarHBondContact O-CA 3.45Å; K63-S65 PolarHBondContact O-N 2.94Å; K63-S65 VanDerWaalsContact O-N 3.13Å
64E94.4Very high91.9Very high110 Ų11074 Ų7451%0.51436%0.358SS..THydrogen-bonded Turntrans64.59179.6-68.4156.1-148.100115Q2 F4 Q62Q2-E64 PolarHBondContact O-N 2.75Å; F4-E64 HydrophobicContact CE2-CB 3.98Å; F4-E64 HydrophobicContact CE2-CG 3.98Å; Q62-E64 PolarHBondContact O-N 2.85Å
65S96.5Very high90.3Very high21 Ų2172.8 Ų72.815%0.14738%0.379CS..  trans-63.2145.3171.2-63.40000111.5F4 Q62 K63F4-S65 PolarHBondContact N-O 3.3Å; Q62-S65 PolarHBondContact N-OG 3.25Å; Q62-S65 WeakPolarHBondContact O-CB 3.47Å; Q62-S65 PolarHBondContact O-N 2.97Å; Q62-S65 VanDerWaalsContact O-N 3.17Å; Q62-S65 PolarHBondContact O-OG 3.24Å; K63-S65 PolarHBondContact O-N 2.94Å; K63-S65 VanDerWaalsContact O-N 3.13Å
66T96.3Very high88.9Confident47 Ų4774 Ų7429%0.28840%0.397SS..EExtended strand (participates in β ladder)trans-108.4118.6176.6-58.50000111.3F4 K6 F45F4-T66 HydrophobicContact CB-CG2 4.46Å; F4-T66 CarbonylContact O-C 3.53Å; F4-T66 WeakPolarHBondContact O-CA 3.24Å; K6-T66 HydrophobicContact CB-CG2 4.31Å; K6-T66 HydrophobicContact CD-CG2 3.82Å; K6-T66 HydrophobicContact CG-CG2 3.78Å; F45-T66 WeakPolarHBondContact CD2-O 3.34Å
67L97Very high87.5Confident0 Ų081.4 Ų81.40%044%0.435CS..EExtended strand (participates in β ladder)trans-96.9152.2171.2-6970.9000109.5I3 F4 V5 K6 L43 F45 L50 I61I3-L67 HydrophobicContact CB-CD1 4.5Å; I3-L67 HydrophobicContact CD1-CD1 4.01Å; F4-L67 PolarHBondContact O-N 3.36Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.24Å; V5-L67 HydrophobicContact CG2-CB 4.39Å; K6-L67 PolarHBondContact N-O 3.01Å; L43-L67 HydrophobicContact CD1-CD2 4.43Å; F45-L67 HydrophobicContact CB-CG 4.47Å; F45-L67 HydrophobicContact CD2-CD1 4.49Å; F45-L67 HydrophobicContact CD2-CG 4.4Å; L50-L67 HydrophobicContact CD1-CD2 3.65Å; L50-L67 HydrophobicContact CD1-CG 4.45Å; I61-L67 HydrophobicContact CD1-CD2 4.29Å; I61-L67 HydrophobicContact CG2-CD1 4.11Å
68H97.1Very high86.6Confident96 Ų9683.7 Ų83.744%0.44444%0.442SS..EExtended strand (participates in β ladder)trans-106.6127174-63.878.7000110K6 L43 I44K6-H68 CarbonylContact O-C 3.54Å; K6-H68 WeakPolarHBondContact O-CA 3.42Å; L43-H68 WeakPolarHBondContact CA-O 3.47Å; I44-H68 HydrophobicContact CB-CB 4.33Å; I44-H68 PolarHBondContact N-O 2.98Å; I44-H68 PolarHBondContact O-N 3.22Å
69L95.3Very high86Confident5 Ų583.4 Ų83.43%0.02644%0.438CS..EExtended strand (participates in β ladder)trans-97.1119.2174.417663.2000110.1V5 K6 T7 I30 I36 Q41 L43V5-L69 HydrophobicContact CG1-CB 3.63Å; K6-L69 PolarHBondContact O-N 2.91Å; T7-L69 HydrophobicContact CG2-CD2 4.38Å; I30-L69 HydrophobicContact CG2-CD2 3.99Å; I36-L69 HydrophobicContact CD1-CD2 4.09Å; Q41-L69 HydrophobicContact CB-CD1 3.79Å; Q41-L69 HydrophobicContact CG-CD1 4Å; L43-L69 HydrophobicContact CD2-CB 4.18Å; L43-L69 HydrophobicContact CD2-CD1 3.89Å
70V93Very high85.6Confident40 Ų4085.8 Ų85.824%0.24246%0.458CS..EExtended strand (participates in β ladder)trans-113.4135.7171.7-179.40000108.3L8 R42 I44L8-V70 HydrophobicContact CD1-CG1 4.22Å; L8-V70 HydrophobicContact CD2-CG2 4Å; L8-V70 HydrophobicContact CG-CG2 4.44Å; R42-V70 WeakPolarHBondContact CA-O 3.5Å; R42-V70 HydrophobicContact CB-CB 4.38Å; R42-V70 WeakPolarHBondContact CB-O 3.44Å; R42-V70 PolarHBondContact N-O 2.97Å; R42-V70 PolarHBondContact O-N 2.88Å; I44-V70 HydrophobicContact CD1-CB 4.44Å; I44-V70 HydrophobicContact CD1-CG2 3.66Å
71L89.9Confident85.3Confident87 Ų8782.7 Ų82.746%0.45545%0.447SS..EExtended strand (participates in β ladder)trans-81.3131.3176-63.1179.2000110.4I36 Q40 L73I36-L71 HydrophobicContact CD1-CD2 4.13Å; I36-L71 HydrophobicContact CG2-CD2 3.61Å; Q40-L71 CarbonylContact O-C 3.54Å; Q40-L71 WeakPolarHBondContact O-CA 3.11Å; L71-L73 PolarHBondContact O-N 2.81Å
72R82Confident85Confident122 Ų12287.1 Ų87.146%0.4647%0.47SS..  trans-78.8113.5166.8-158.9173.4-172.1136.41.3107.3Q40 R74Q40-R72 PolarHBondContact O-N 3.28Å; R72-R74 VanDerWaalsContact C-N 3.28Å; R72-R74 PolarHBondContact O-N 3.39Å
73L70Confident84.7Confident171 Ų17187.6 Ų87.690%0.89547%0.466SS*.  trans-69.685.4176.4-60.4176.4000109.7L71L71-L73 PolarHBondContact O-N 2.81Å
74R66.4Low84.4Confident128 Ų12887.8 Ų87.848%0.48347%0.468SS..PPolyproline II helixtrans-97.3141.4159.7-69.9-178.5178169.5-0.1107.3D39 R72 G76D39-R74 IonicContact OD2-CZ 2.66Å; D39-R74 IonicContact OD2-NH1 3.88Å; D39-R74 PolarHBondContact OD2-NH1 3.3Å; R72-R74 VanDerWaalsContact C-N 3.28Å; R72-R74 PolarHBondContact O-N 3.39Å; R74-G76 PolarHBondContact O-N 2.76Å; R74-G76 VanDerWaalsContact O-N 3.08Å
75G61.9Low84.3Confident84 Ų8486.9 Ų86.987%0.86647%0.466SS*.PPolyproline II helixtrans-50.8120.417700000109.6
76G66.4Low84Confident54 Ų5487.8 Ų87.856%0.55748%0.476SS*.PPolyproline II helixtrans-61.2161.2-170.800000113.2R74 I78R74-G76 PolarHBondContact O-N 2.76Å; R74-G76 VanDerWaalsContact O-N 3.08Å; G76-I78 PolarHBondContact O-N 3.08Å; G76-I78 VanDerWaalsContact O-N 3.08Å
77I67.8Low83.7Confident155 Ų15589 Ų8980%0.79548%0.478SS*.  trans-68.7106.4170.5-60170.4000106.9
78I75.4Confident83.4Confident103 Ų10395.1 Ų95.153%0.52851%0.505SS..  trans-74.6126.9171.7-58.7176.8000107.1G76 L82 R83G76-I78 PolarHBondContact O-N 3.08Å; G76-I78 VanDerWaalsContact O-N 3.08Å; I78-L82 HydrophobicContact CG2-CB 3.67Å; I78-R83 HydrophobicContact CB-CB 4.49Å; I78-R83 HydrophobicContact CG2-CB 4.06Å
79E82.6Confident83.2Confident87 Ų8797.7 Ų97.741%0.40751%0.511SS..  trans-49.8136.9174-173.8-73.813400110.2S81 L82 R83E79-S81 VanDerWaalsContact C-N 3.3Å; E79-S81 VanDerWaalsContact CD-OG 3.29Å; E79-S81 PolarHBondContact O-N 3.46Å; E79-S81 WeakPolarHBondContact OE1-CB 3.41Å; E79-S81 PolarHBondContact OE1-N 2.89Å; E79-S81 PolarHBondContact OE1-OG 3.44Å; E79-S81 VanDerWaalsContact OE2-CA 3.28Å; E79-S81 WeakPolarHBondContact OE2-CA 3.3Å; E79-S81 WeakPolarHBondContact OE2-CB 3.2Å; E79-S81 PolarHBondContact OE2-N 3.46Å; E79-S81 PolarHBondContact OE2-OG 3.35Å; E79-L82 HydrophobicContact CB-CD1 4.35Å; E79-L82 HydrophobicContact CB-CG 4.49Å; E79-L82 PolarHBondContact O-N 3.35Å; E79-L82 VanDerWaalsContact O-N 3.09Å; E79-L82 PolarHBondContact OE2-N 2.94Å; E79-R83 PolarHBondContact O-N 3.18Å
80P87.4Confident83Confident87 Ų87101.7 Ų101.757%0.56553%0.533SS*.Hα-helixtrans-51.5-40.4-172.7-30.635.6000115.3R83 Q84P80-R83 WeakPolarHBondContact O-CB 3.35Å; P80-R83 PolarHBondContact O-N 3.09Å; P80-Q84 WeakPolarHBondContact O-CG 3.28Å; P80-Q84 PolarHBondContact O-N 2.99Å
81S88.5Confident82.9Confident67 Ų67102.1 Ų102.147%0.46954%0.537SS..Hα-helixtrans-68.6-40.5178.786.90000112.4E79 R83 Q84 L85E79-S81 VanDerWaalsContact C-N 3.3Å; E79-S81 VanDerWaalsContact CD-OG 3.29Å; E79-S81 PolarHBondContact O-N 3.46Å; E79-S81 WeakPolarHBondContact OE1-CB 3.41Å; E79-S81 PolarHBondContact OE1-N 2.89Å; E79-S81 PolarHBondContact OE1-OG 3.44Å; E79-S81 VanDerWaalsContact OE2-CA 3.28Å; E79-S81 WeakPolarHBondContact OE2-CA 3.3Å; E79-S81 WeakPolarHBondContact OE2-CB 3.2Å; E79-S81 PolarHBondContact OE2-N 3.46Å; E79-S81 PolarHBondContact OE2-OG 3.35Å; S81-R83 VanDerWaalsContact C-N 3.3Å; S81-R83 PolarHBondContact O-N 3.47Å; S81-Q84 PolarHBondContact O-N 3.24Å; S81-L85 PolarHBondContact O-N 2.94Å
82L88.1Confident83.1Confident99 Ų99101 Ų10152%0.51853%0.531SS..Hα-helixtrans-64.6-36.7173.2-68.5-179.2000111.6I78 E79 L85 A86I78-L82 HydrophobicContact CG2-CB 3.67Å; E79-L82 HydrophobicContact CB-CD1 4.35Å; E79-L82 HydrophobicContact CB-CG 4.49Å; E79-L82 PolarHBondContact O-N 3.35Å; E79-L82 VanDerWaalsContact O-N 3.09Å; E79-L82 PolarHBondContact OE2-N 2.94Å; L82-L85 PolarHBondContact O-N 3.4Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.92Å
83R87.6Confident83.9Confident152 Ų15297.1 Ų97.157%0.57452%0.518SS*.Hα-helixtrans-63.6-44.2174-174.6179.6-178-175.4-0.1111.3I78 E79 P80 S81 A86 Q87I78-R83 HydrophobicContact CB-CB 4.49Å; I78-R83 HydrophobicContact CG2-CB 4.06Å; E79-R83 PolarHBondContact O-N 3.18Å; P80-R83 WeakPolarHBondContact O-CB 3.35Å; P80-R83 PolarHBondContact O-N 3.09Å; S81-R83 VanDerWaalsContact C-N 3.3Å; S81-R83 PolarHBondContact O-N 3.47Å; R83-A86 PolarHBondContact O-N 2.74Å; R83-Q87 WeakPolarHBondContact O-CB 3.45Å; R83-Q87 VanDerWaalsContact O-CG 3.28Å; R83-Q87 WeakPolarHBondContact O-CG 3.46Å; R83-Q87 PolarHBondContact O-N 3.3Å
84Q89Confident85.2Confident129 Ų12990.8 Ų90.860%0.60348%0.484SS*.Hα-helixtrans-63.2-42.9175.5-72.2175.71400111.7P80 S81 A86 Q87 K88P80-Q84 WeakPolarHBondContact O-CG 3.28Å; P80-Q84 PolarHBondContact O-N 2.99Å; S81-Q84 PolarHBondContact O-N 3.24Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-A86 PolarHBondContact O-N 2.82Å; Q84-Q87 WeakPolarHBondContact O-CB 3.42Å; Q84-Q87 PolarHBondContact O-N 2.85Å; Q84-K88 PolarHBondContact O-N 3.06Å
85L91Very high86.7Confident90 Ų9085.4 Ų85.447%0.47147%0.465SS..Hα-helixtrans-58.7-47.3175.4-176.264.2000111S81 L82 Q87 K88 Y89S81-L85 PolarHBondContact O-N 2.94Å; L82-L85 PolarHBondContact O-N 3.4Å; L85-Q87 PolarHBondContact O-N 2.98Å; L85-K88 WeakPolarHBondContact O-CB 3.3Å; L85-K88 PolarHBondContact O-N 3.24Å; L85-Y89 HydrophobicContact CD1-CD2 4.21Å; L85-Y89 HydrophobicContact CD1-CE2 3.71Å; L85-Y89 HydrophobicContact CG-CD2 4.42Å; L85-Y89 HydrophobicContact CG-CE2 4.29Å; L85-Y89 VanDerWaalsContact O-CD2 3.3Å; L85-Y89 WeakPolarHBondContact O-CD2 3.23Å; L85-Y89 PolarHBondContact O-N 2.78Å
86A90.7Very high88.4Confident41 Ų4181.4 Ų81.434%0.33942%0.423SS..Hα-helixtrans-62.2-41.9176.700000112.1L82 R83 Q84 K88 Y89 N90L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.92Å; R83-A86 PolarHBondContact O-N 2.74Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-A86 PolarHBondContact O-N 2.82Å; A86-K88 VanDerWaalsContact C-N 3.34Å; A86-K88 PolarHBondContact O-N 3.41Å; A86-Y89 PolarHBondContact O-N 3.22Å; A86-N90 VanDerWaalsContact O-CB 3.3Å; A86-N90 WeakPolarHBondContact O-CB 3.2Å; A86-N90 PolarHBondContact O-N 2.63Å; A86-N90 PolarHBondContact O-ND2 3.29Å
87Q90.6Very high89.9Confident72 Ų7285 Ų8534%0.33642%0.421SS..Hα-helixtrans-59.8-42.9175.5-76.4174-3.500111.8R83 Q84 L85 Y89 N90 C91 D92R83-Q87 WeakPolarHBondContact O-CB 3.45Å; R83-Q87 VanDerWaalsContact O-CG 3.28Å; R83-Q87 WeakPolarHBondContact O-CG 3.46Å; R83-Q87 PolarHBondContact O-N 3.3Å; Q84-Q87 WeakPolarHBondContact O-CB 3.42Å; Q84-Q87 PolarHBondContact O-N 2.85Å; L85-Q87 PolarHBondContact O-N 2.98Å; Q87-Y89 VanDerWaalsContact C-N 3.28Å; Q87-Y89 PolarHBondContact O-N 3.44Å; Q87-N90 PolarHBondContact O-N 3.3Å; Q87-C91 HydrophobicContact CB-CB 4.38Å; Q87-C91 WeakPolarHBondContact O-CA 3.41Å; Q87-C91 WeakPolarHBondContact O-CB 3.5Å; Q87-C91 PolarHBondContact O-N 3.27Å; Q87-D92 PolarHBondContact O-N 2.92Å
88K91.1Very high91.3Very high129 Ų12984.1 Ų84.156%0.56141%0.411SS*.Hα-helixtrans-56.8-40.3176.3-178.5-177.9177.8-178.70112Q84 L85 A86 K93Q84-K88 PolarHBondContact O-N 3.06Å; L85-K88 WeakPolarHBondContact O-CB 3.3Å; L85-K88 PolarHBondContact O-N 3.24Å; A86-K88 VanDerWaalsContact C-N 3.34Å; A86-K88 PolarHBondContact O-N 3.41Å; K88-K93 PolarHBondContact O-NZ 2.9Å
89Y91.8Very high92.4Very high149 Ų14980.1 Ų80.158%0.58439%0.392SS*.Hα-helixtrans-82.8-36.6180-76-76.8000113.4L85 A86 Q87 K93L85-Y89 HydrophobicContact CD1-CD2 4.21Å; L85-Y89 HydrophobicContact CD1-CE2 3.71Å; L85-Y89 HydrophobicContact CG-CD2 4.42Å; L85-Y89 HydrophobicContact CG-CE2 4.29Å; L85-Y89 VanDerWaalsContact O-CD2 3.3Å; L85-Y89 WeakPolarHBondContact O-CD2 3.23Å; L85-Y89 PolarHBondContact O-N 2.78Å; A86-Y89 PolarHBondContact O-N 3.22Å; Q87-Y89 VanDerWaalsContact C-N 3.28Å; Q87-Y89 PolarHBondContact O-N 3.44Å; Y89-K93 VanDerWaalsContact O-CE 3.23Å; Y89-K93 WeakPolarHBondContact O-CE 3.28Å
90N91.7Very high93.1Very high90 Ų9084 Ų8448%0.48140%0.404SS..Hα-helixtrans-105.3-31.4-166.4-65.4-34.1000114.7A86 Q87 K124A86-N90 VanDerWaalsContact O-CB 3.3Å; A86-N90 WeakPolarHBondContact O-CB 3.2Å; A86-N90 PolarHBondContact O-N 2.63Å; A86-N90 PolarHBondContact O-ND2 3.29Å; Q87-N90 PolarHBondContact O-N 3.3Å; N90-K124 PolarHBondContact O-NZ 3.17Å
91C91.8Very high93.6Very high49 Ų4980.6 Ų80.633%0.33138%0.383SS..THydrogen-bonded Turntrans-111.2-49-169.4-63.20000112.2Q87 K93Q87-C91 HydrophobicContact CB-CB 4.38Å; Q87-C91 WeakPolarHBondContact O-CA 3.41Å; Q87-C91 WeakPolarHBondContact O-CB 3.5Å; Q87-C91 PolarHBondContact O-N 3.27Å; C91-K93 VanDerWaalsContact C-N 3.31Å; C91-K93 PolarHBondContact O-N 3.47Å
92D94.2Very high94.1Very high63 Ų6383.4 Ų83.434%0.33738%0.383SS..SBendtrans-7586.6-177.1-60.5-30.1000109.3Q87 P105Q87-D92 PolarHBondContact O-N 2.92Å; D92-P105 HydrophobicContact CB-CG 4.32Å; D92-P105 WeakPolarHBondContact O-CG 3.16Å
93K96.8Very high94.5Very high40 Ų4079.1 Ų79.117%0.17436%0.361CS..  trans-151.2150.5-175.7-64.9-68.7167.3-90.50110.1K88 Y89 C91 R102 L103 K124K88-K93 PolarHBondContact O-NZ 2.9Å; Y89-K93 VanDerWaalsContact O-CE 3.23Å; Y89-K93 WeakPolarHBondContact O-CE 3.28Å; C91-K93 VanDerWaalsContact C-N 3.31Å; C91-K93 PolarHBondContact O-N 3.47Å; K93-R102 HydrophobicContact CB-CG 3.82Å; K93-R102 HydrophobicContact CD-CG 4.11Å; K93-R102 HydrophobicContact CG-CG 3.79Å; K93-L103 WeakPolarHBondContact CA-O 3.44Å; K93-L103 WeakPolarHBondContact CB-O 3.48Å; K93-L103 WeakPolarHBondContact CD-O 3.49Å; K93-K124 HydrophobicContact CB-CB 4.5Å; K93-K124 WeakPolarHBondContact O-CB 3.34Å; K93-K124 PolarHBondContact O-N 3.23Å
94M97.6Very high95Very high38 Ų3877.5 Ų77.519%0.18736%0.359CS..EExtended strand (participates in β ladder)trans-90.3152.1166.3-66.8-63.4-83.100109.9L103 P105 L121 R122 P123M94-L103 HydrophobicContact CB-CB 4.09Å; M94-L103 PolarHBondContact N-O 2.91Å; M94-L103 PolarHBondContact O-N 2.87Å; M94-P105 WeakPolarHBondContact CG-O 3.47Å; M94-L121 HydrophobicContact CE-CB 3.84Å; M94-R122 CarbonylContact C-O 3.56Å; M94-R122 WeakPolarHBondContact CA-O 3.5Å; M94-P123 HydrophobicContact SD-CB 4.42Å; M94-P123 HydrophobicContact SD-CG 4.2Å
95I98.3Very high95.3Very high15 Ų1574 Ų748%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-124.8129.1178.2-53.8-63.4000108.4A101 R102 L121 R122 K124I95-A101 WeakPolarHBondContact CA-O 3.35Å; I95-R102 HydrophobicContact CD1-CB 4.31Å; I95-R102 HydrophobicContact CD1-CG 4.27Å; I95-L121 CarbonylContact O-C 3.57Å; I95-L121 WeakPolarHBondContact O-CA 3.35Å; I95-R122 HydrophobicContact CB-CG 4.12Å; I95-R122 PolarHBondContact N-O 3.45Å; I95-R122 PolarHBondContact O-N 3.45Å; I95-K124 HydrophobicContact CD1-CB 4.17Å; I95-K124 HydrophobicContact CD1-CD 4.47Å; I95-K124 HydrophobicContact CD1-CG 4.22Å; I95-K124 HydrophobicContact CG1-CB 3.85Å; I95-K124 HydrophobicContact CG1-CG 4.19Å
96C98.3Very high95.6Very high0 Ų080.2 Ų80.20%037%0.365CS..EExtended strand (participates in β ladder)trans-67.8131.4171.2178.10000110.7K98 C99 Y100 A101 L103 C110 T118 L121C96-K98 PolarHBondContact SG-N 2.89Å; C96-C99 PolarHBondContact SG-N 2.93Å; C96-Y100 WeakPolarHBondContact O-CA 3.1Å; C96-Y100 PolarHBondContact O-N 3.25Å; C96-A101 HydrophobicContact CB-CB 4.33Å; C96-A101 PolarHBondContact N-O 3.38Å; C96-L103 HydrophobicContact CB-CD1 4.46Å; C96-C110 HydrophobicContact CB-CB 4.04Å; C96-C110 VanDerWaalsContact CB-SG 3.56Å; C96-T118 WeakPolarHBondContact SG-CG2 3.46Å; C96-L121 HydrophobicContact CB-CD2 3.95Å
97R98Very high95.9Very high131 Ų13179.5 Ų79.549%0.49436%0.359SS..THydrogen-bonded Turntrans-71.6-30.5178.5-62.1-157-171.7-121.81.4113.5N120 L121 R122R97-N120 WeakPolarHBondContact CD-OD1 3.2Å; R97-N120 WeakPolarHBondContact CG-OD1 3.43Å; R97-N120 PolarHBondContact N-O 3.18Å; R97-N120 PolarHBondContact NE-OD1 3.01Å; R97-L121 PolarHBondContact NE-O 2.83Å; R97-R122 HydrophobicContact CG-CB 4.33Å; R97-R122 HydrophobicContact CG-CG 4.15Å
98K97.6Very high96.3Very high135 Ų13581.3 Ų81.359%0.58738%0.375SS*.THydrogen-bonded Turntrans-80.5-38.9-178.6-62.9-169.3-177.1-178.60113.2C96 C115 T118C96-K98 PolarHBondContact SG-N 2.89Å; K98-C115 HydrophobicContact CB-CB 3.88Å; K98-C115 HydrophobicContact CD-CB 4.37Å; K98-T118 HydrophobicContact CB-CG2 4.32Å; K98-T118 HydrophobicContact CD-CG2 3.94Å; K98-T118 WeakPolarHBondContact CE-OG1 3.44Å; K98-T118 HydrophobicContact CG-CG2 4.1Å
99C97.8Very high96.6Very high20 Ų2079.2 Ų79.214%0.13537%0.37CS..THydrogen-bonded Turntrans-1275.1-171.378.20000115.7C96 A101 C110 K114 C115C96-C99 PolarHBondContact SG-N 2.93Å; C99-A101 PolarHBondContact O-N 2.5Å; C99-C110 VanDerWaalsContact SG-SG 3.61Å; C99-K114 HydrophobicContact CB-CD 4.32Å; C99-K114 HydrophobicContact CB-CG 4.4Å; C99-C115 HydrophobicContact CB-CB 4.07Å; C99-C115 VanDerWaalsContact SG-SG 3.68Å
100Y97.9Very high96.9Very high169 Ų16972.2 Ų72.266%0.66334%0.342SS*.  trans57.814.9176.9-54.1-82.1000115.8C96 R102C96-Y100 WeakPolarHBondContact O-CA 3.1Å; C96-Y100 PolarHBondContact O-N 3.25Å; Y100-R102 PolarHBondContact O-N 3.47Å
101A97.9Very high97.2Very high14 Ų1475.8 Ų75.812%0.11635%0.349CS..  trans-61.4135.1176.200000111.3I95 C96 C99 L103 K112I95-A101 WeakPolarHBondContact CA-O 3.35Å; C96-A101 HydrophobicContact CB-CB 4.33Å; C96-A101 PolarHBondContact N-O 3.38Å; C99-A101 PolarHBondContact O-N 2.5Å; A101-L103 HydrophobicContact CB-CD2 4.46Å; A101-K112 HydrophobicContact CB-CG 3.88Å
102R97.8Very high97.5Very high127 Ų12777.8 Ų77.848%0.47935%0.352SS..EExtended strand (participates in β ladder)trans-77.6129169.8-165-174.1-61.1175.24.2110.1K93 I95 Y100 R111K93-R102 HydrophobicContact CB-CG 3.82Å; K93-R102 HydrophobicContact CD-CG 4.11Å; K93-R102 HydrophobicContact CG-CG 3.79Å; I95-R102 HydrophobicContact CD1-CB 4.31Å; I95-R102 HydrophobicContact CD1-CG 4.27Å; Y100-R102 PolarHBondContact O-N 3.47Å; R102-R111 PolarHBondContact O-NH2 3.06Å
103L97.3Very high97.7Very high8 Ų883.4 Ų83.44%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-130.8162.7-172.5-57.5171.1000110.6K93 M94 C96 A101 A107 C110 R111 L121K93-L103 WeakPolarHBondContact CA-O 3.44Å; K93-L103 WeakPolarHBondContact CB-O 3.48Å; K93-L103 WeakPolarHBondContact CD-O 3.49Å; M94-L103 HydrophobicContact CB-CB 4.09Å; M94-L103 PolarHBondContact N-O 2.91Å; M94-L103 PolarHBondContact O-N 2.87Å; C96-L103 HydrophobicContact CB-CD1 4.46Å; A101-L103 HydrophobicContact CB-CD2 4.46Å; L103-A107 HydrophobicContact CB-CB 3.92Å; L103-A107 HydrophobicContact CD1-CB 4.46Å; L103-C110 HydrophobicContact CD1-CB 4.26Å; L103-R111 HydrophobicContact CD2-CB 4.29Å; L103-R111 HydrophobicContact CD2-CG 3.77Å; L103-L121 HydrophobicContact CD1-CD1 3.89Å; L103-L121 HydrophobicContact CD1-CD2 3.52Å; L103-L121 HydrophobicContact CD1-CG 4.34Å
104H97Very high97.7Very high118 Ų11889.6 Ų89.655%0.54640%0.401SS..  trans-57.7145.5171.7-173.4-98.7000110.9R106 A107H104-R106 PolarHBondContact ND1-N 3.04Å; H104-R106 VanDerWaalsContact ND1-N 3.17Å; H104-R106 PolarHBondContact O-N 3.46Å; H104-A107 HydrophobicContact CB-CB 4.46Å; H104-A107 VanDerWaalsContact O-CB 3.22Å; H104-A107 WeakPolarHBondContact O-CB 3.44Å; H104-A107 PolarHBondContact O-N 3.46Å
105P96.6Very high97.7Very high56 Ų5688.3 Ų88.336%0.36440%0.395SS..THydrogen-bonded Turntrans-51.1-37.3178.2-32.937.8000115.1D92 M94 A107D92-P105 HydrophobicContact CB-CG 4.32Å; D92-P105 WeakPolarHBondContact O-CG 3.16Å; M94-P105 WeakPolarHBondContact CG-O 3.47Å; P105-A107 VanDerWaalsContact C-N 3.34Å
106R96.7Very high97.6Very high221 Ų22190.6 Ų90.683%0.83442%0.423SS*.THydrogen-bonded Turntrans-91.910.9-178.8-58.5-178.6178.1154-2.8113.6H104 V108H104-R106 PolarHBondContact ND1-N 3.04Å; H104-R106 VanDerWaalsContact ND1-N 3.17Å; H104-R106 PolarHBondContact O-N 3.46Å; R106-V108 PolarHBondContact O-N 2.73Å
107A97.4Very high97.6Very high26 Ų2695 Ų9522%0.21544%0.443CS..  trans-70.4130179.100000110.5L103 H104 P105 L121L103-A107 HydrophobicContact CB-CB 3.92Å; L103-A107 HydrophobicContact CD1-CB 4.46Å; H104-A107 HydrophobicContact CB-CB 4.46Å; H104-A107 VanDerWaalsContact O-CB 3.22Å; H104-A107 WeakPolarHBondContact O-CB 3.44Å; H104-A107 PolarHBondContact O-N 3.46Å; P105-A107 VanDerWaalsContact C-N 3.34Å; A107-L121 HydrophobicContact CB-CD1 4.39Å; A107-L121 WeakPolarHBondContact O-CD1 3.49Å
108V97.8Very high97.6Very high110 Ų11089.4 Ų89.467%0.66742%0.424SS*.SBendtrans-95.7-26.7175.2-69.40000112.7R106 N119R106-V108 PolarHBondContact O-N 2.73Å; V108-N119 WeakPolarHBondContact O-CA 3.11Å
109N98.3Very high97.6Very high85 Ų8588.8 Ų88.846%0.45543%0.426SS..SBendtrans-126.6152.5178.1-69.283.6000111.5H117N109-H117 WeakPolarHBondContact CB-O 3.19Å; N109-H117 PolarHBondContact ND2-O 3.06Å
110C98.3Very high97.6Very high1 Ų191.3 Ų91.31%0.00744%0.439CS..  trans-73.9133.8172.2-1700000111.2C96 C99 L103 K112 C115 H117 T118 L121C96-C110 HydrophobicContact CB-CB 4.04Å; C96-C110 VanDerWaalsContact CB-SG 3.56Å; C99-C110 VanDerWaalsContact SG-SG 3.61Å; L103-C110 HydrophobicContact CD1-CB 4.26Å; C110-K112 PolarHBondContact O-N 2.9Å; C110-C115 WeakPolarHBondContact CB-SG 3.35Å; C110-C115 PolarHBondContact SG-SG 3.44Å; C110-H117 WeakPolarHBondContact O-CA 3.33Å; C110-H117 PolarHBondContact O-ND1 3.24Å; C110-T118 HydrophobicContact CB-CG2 4.09Å; C110-T118 PolarHBondContact N-O 3.36Å; C110-L121 HydrophobicContact CB-CD2 4.09Å
111R97.9Very high97.6Very high165 Ų16584.2 Ų84.262%0.62341%0.412SS*.SBendtrans-69.4-8.8175.671.8-173.6173.6-167.41.9115.1R102 L103R102-R111 PolarHBondContact O-NH2 3.06Å; L103-R111 HydrophobicContact CD2-CB 4.29Å; L103-R111 HydrophobicContact CD2-CG 3.77Å
112K98.1Very high97.6Very high91 Ų9186.4 Ų86.440%0.39642%0.417SS..  trans-94.9122.7-170.5-65.6-61-172.5179.40111.5A101 C110 K114 C115A101-K112 HydrophobicContact CB-CG 3.88Å; C110-K112 PolarHBondContact O-N 2.9Å; K112-K114 VanDerWaalsContact C-N 3.29Å; K112-K114 HydrophobicContact CB-CG 4.12Å; K112-K114 PolarHBondContact O-N 2.86Å; K112-C115 PolarHBondContact O-N 2.84Å; K112-C115 PolarHBondContact O-SG 2.89Å
113K97.6Very high97.6Very high182 Ų18284.7 Ų84.779%0.79142%0.423SS*.G310 helixtrans-57.4-37.4176.6-168.2175.3-178.7179.60113.1C115 G116K113-C115 PolarHBondContact O-N 2.97Å; K113-G116 PolarHBondContact O-N 3.02Å
114K97.6Very high97.6Very high169 Ų16987.4 Ų87.474%0.73543%0.434SS*.G310 helixtrans-58.2-15.3178.963.9166.8172.2168.90116.1C99 K112C99-K114 HydrophobicContact CB-CD 4.32Å; C99-K114 HydrophobicContact CB-CG 4.4Å; K112-K114 VanDerWaalsContact C-N 3.29Å; K112-K114 HydrophobicContact CB-CG 4.12Å; K112-K114 PolarHBondContact O-N 2.86Å
115C97.1Very high97.5Very high12 Ų1290.3 Ų90.38%0.08145%0.445CS..G310 helixtrans-112.615.7174.465.20000113.1K98 C99 C110 K112 K113 H117 T118K98-C115 HydrophobicContact CB-CB 3.88Å; K98-C115 HydrophobicContact CD-CB 4.37Å; C99-C115 HydrophobicContact CB-CB 4.07Å; C99-C115 VanDerWaalsContact SG-SG 3.68Å; C110-C115 WeakPolarHBondContact CB-SG 3.35Å; C110-C115 PolarHBondContact SG-SG 3.44Å; K112-C115 PolarHBondContact O-N 2.84Å; K112-C115 PolarHBondContact O-SG 2.89Å; K113-C115 PolarHBondContact O-N 2.97Å; C115-H117 VanDerWaalsContact C-N 3.28Å; C115-H117 PolarHBondContact O-N 3.2Å; C115-T118 HydrophobicContact CB-CG2 4Å; C115-T118 WeakPolarHBondContact O-CB 3.49Å; C115-T118 PolarHBondContact O-N 2.91Å
116G97.7Very high97Very high63 Ų6395.6 Ų95.665%0.64946%0.462SS*.THydrogen-bonded Turntrans61.134.2-179.700000113.3K113 T118K113-G116 PolarHBondContact O-N 3.02Å; G116-T118 PolarHBondContact O-N 3.06Å
117H97.4Very high96.3Very high93 Ų9393.1 Ų93.143%0.43147%0.465SS..THydrogen-bonded Turntrans52.231.8-176.2-60-74.6000114.7N109 C110 C115N109-H117 WeakPolarHBondContact CB-O 3.19Å; N109-H117 PolarHBondContact ND2-O 3.06Å; C110-H117 WeakPolarHBondContact O-CA 3.33Å; C110-H117 PolarHBondContact O-ND1 3.24Å; C115-H117 VanDerWaalsContact C-N 3.28Å; C115-H117 PolarHBondContact O-N 3.2Å
118T97.8Very high95.2Very high13 Ų13105.2 Ų105.28%0.0851%0.513CS..  trans-47.2140.5-177.7-171.70000113.4C96 K98 C110 C115 G116 N120C96-T118 WeakPolarHBondContact SG-CG2 3.46Å; K98-T118 HydrophobicContact CB-CG2 4.32Å; K98-T118 HydrophobicContact CD-CG2 3.94Å; K98-T118 WeakPolarHBondContact CE-OG1 3.44Å; K98-T118 HydrophobicContact CG-CG2 4.1Å; C110-T118 HydrophobicContact CB-CG2 4.09Å; C110-T118 PolarHBondContact N-O 3.36Å; C115-T118 HydrophobicContact CB-CG2 4Å; C115-T118 WeakPolarHBondContact O-CB 3.49Å; C115-T118 PolarHBondContact O-N 2.91Å; G116-T118 PolarHBondContact O-N 3.06Å; T118-N120 VanDerWaalsContact C-N 3.33Å; T118-N120 WeakPolarHBondContact OG1-CB 3.22Å; T118-N120 PolarHBondContact OG1-N 2.86Å
119N97.8Very high95Very high121 Ų121105 Ų10565%0.64751%0.505SS*.  trans-84.2-7.6169.563.9-8.5000113.1V108 L121V108-N119 WeakPolarHBondContact O-CA 3.11Å; N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 WeakPolarHBondContact O-CG 3.39Å; N119-L121 PolarHBondContact O-N 3.2Å
120N98.1Very high94.9Very high73 Ų73106 Ų10639%0.3951%0.507SS..  trans-6885.7174.7-165.80.2000112.5R97 T118R97-N120 WeakPolarHBondContact CD-OD1 3.2Å; R97-N120 WeakPolarHBondContact CG-OD1 3.43Å; R97-N120 PolarHBondContact N-O 3.18Å; R97-N120 PolarHBondContact NE-OD1 3.01Å; T118-N120 VanDerWaalsContact C-N 3.33Å; T118-N120 WeakPolarHBondContact OG1-CB 3.22Å; T118-N120 PolarHBondContact OG1-N 2.86Å
121L98.3Very high94.7Very high21 Ų21111.8 Ų111.811%0.1154%0.535CS..EExtended strand (participates in β ladder)trans-115.7166.9-178-53.2-175.8000111.2M94 I95 C96 R97 L103 A107 C110 N119M94-L121 HydrophobicContact CE-CB 3.84Å; I95-L121 CarbonylContact O-C 3.57Å; I95-L121 WeakPolarHBondContact O-CA 3.35Å; C96-L121 HydrophobicContact CB-CD2 3.95Å; R97-L121 PolarHBondContact NE-O 2.83Å; L103-L121 HydrophobicContact CD1-CD1 3.89Å; L103-L121 HydrophobicContact CD1-CD2 3.52Å; L103-L121 HydrophobicContact CD1-CG 4.34Å; A107-L121 HydrophobicContact CB-CD1 4.39Å; A107-L121 WeakPolarHBondContact O-CD1 3.49Å; C110-L121 HydrophobicContact CB-CD2 4.09Å; N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 WeakPolarHBondContact O-CG 3.39Å; N119-L121 PolarHBondContact O-N 3.2Å
122R97.6Very high94.5Very high59 Ų59108.7 Ų108.722%0.22353%0.53CS..EExtended strand (participates in β ladder)trans-147.7154.817264177-178.780.6-4.6111.5M94 I95 R97M94-R122 CarbonylContact C-O 3.56Å; M94-R122 WeakPolarHBondContact CA-O 3.5Å; I95-R122 HydrophobicContact CB-CG 4.12Å; I95-R122 PolarHBondContact N-O 3.45Å; I95-R122 PolarHBondContact O-N 3.45Å; R97-R122 HydrophobicContact CG-CB 4.33Å; R97-R122 HydrophobicContact CG-CG 4.15Å
123P97.1Very high94.3Very high91 Ų91109.8 Ų109.859%0.59154%0.539SS*.EExtended strand (participates in β ladder)trans-58.8146166.9-23.234.2000111.6M94M94-P123 HydrophobicContact SD-CB 4.42Å; M94-P123 HydrophobicContact SD-CG 4.2Å
124K96.6Very high94.1Very high66 Ų66105 Ų10529%0.28752%0.522SS..PPolyproline II helixtrans-63.9134.7166.1-170.3178.8173.9-178.40108.3N90 K93 I95 K126N90-K124 PolarHBondContact O-NZ 3.17Å; K93-K124 HydrophobicContact CB-CB 4.5Å; K93-K124 WeakPolarHBondContact O-CB 3.34Å; K93-K124 PolarHBondContact O-N 3.23Å; I95-K124 HydrophobicContact CD1-CB 4.17Å; I95-K124 HydrophobicContact CD1-CD 4.47Å; I95-K124 HydrophobicContact CD1-CG 4.22Å; I95-K124 HydrophobicContact CG1-CB 3.85Å; I95-K124 HydrophobicContact CG1-CG 4.19Å; K124-K126 PolarHBondContact O-N 3.46Å
125K94.9Very high93.8Very high179 Ų179100.4 Ų100.478%0.77851%0.506SS*.PPolyproline II helixtrans-63.5132.1177.6-67.3-175.7177.6-176.20108.7
126K88Confident93.6Very high166 Ų166107.2 Ų107.272%0.72254%0.539SS*.PPolyproline II helixtrans-80.6146.2174-62.9-173.9178.1-173.30109.2K124K124-K126 PolarHBondContact O-N 3.46Å
127L80.9Confident93.2Very high169 Ų169110.9 Ų110.989%0.88553%0.53SS*.PPolyproline II helixtrans-70.3137.6164.3-68.2168.3000107.3
128K73.9Confident92.8Very high280 Ų280112.5 Ų112.5100%1.21754%0.539SS*.  trans-73.40171-69.5-174.1177.5-175.70109.2

Retrieved 128 of 128 residues in 130.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).