A0A096N0K5_PAPAN Loading...

Testis expressed 30

AlphaFold DB (Q5JUR7), UniProt , Accession A0A096N0K5, Species PAPAN (Papio anubis, Olive baboon), Gene TEX30, Length 227 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
1M61.6Low92.2Very high212 Ų21284.5 Ų84.5100%1.04444%0.435SS*.  01450-62.4-177.8-163.300108.1H3 N25M1-H3 WeakPolarHBondContact CB-O 3.45Å; M1-H3 PolarHBondContact O-N 3.07Å; M1-N25 PolarHBondContact O-ND2 3.22Å
2S87.7Confident92.4Very high59 Ų5979.4 Ų79.441%0.41341%0.407SS..  trans-78.1-6.6-17849.30000114.3N25 S56S2-N25 PolarHBondContact O-N 3.21Å; S2-S56 WeakPolarHBondContact OG-CA 3.42Å; S2-S56 WeakPolarHBondContact OG-CB 3.32Å
3H92.7Very high92.3Very high29 Ų2979.4 Ų79.413%0.13444%0.439CS..EExtended strand (participates in β ladder)trans-152.7163.8-17956.4-85.3000109.9M1 V23 A55M1-H3 WeakPolarHBondContact CB-O 3.45Å; M1-H3 PolarHBondContact O-N 3.07Å; H3-V23 CarbonylContact C-O 3.48Å; H3-V23 WeakPolarHBondContact CA-O 3.4Å; H3-V23 VanDerWaalsContact CB-O 3.24Å; H3-V23 WeakPolarHBondContact CB-O 3.26Å; H3-A55 HydrophobicContact CB-CB 3.91Å
4T94.9Very high92.4Very high81 Ų8184.9 Ų84.950%0.49747%0.467SS..EExtended strand (participates in β ladder)trans-110.5138.2174-58.30000109.8V6 L22 V23T4-V6 HydrophobicContact CG2-CG2 4.3Å; T4-L22 CarbonylContact O-C 3.39Å; T4-L22 WeakPolarHBondContact O-CA 3.49Å; T4-V23 PolarHBondContact N-O 2.63Å; T4-V23 PolarHBondContact O-N 3.31Å
5E96.8Very high92.4Very high106 Ų10688 Ų8850%0.49547%0.474SS..EExtended strand (participates in β ladder)trans-91.6127.3172.7-175.8173.7118.800110.3V20 C21 L22E5-V20 HydrophobicContact CG-CG1 3.37Å; E5-C21 WeakPolarHBondContact CA-O 3.34Å; E5-L22 HydrophobicContact CB-CD2 3.72Å; E5-L22 HydrophobicContact CG-CD2 3.75Å
6V96.8Very high92.7Very high47 Ų4789.2 Ų89.229%0.28548%0.479SS..EExtended strand (participates in β ladder)trans-124.7128.1176.7-1770000109.2T4 L8 V20 C21 V23T4-V6 HydrophobicContact CG2-CG2 4.3Å; V6-L8 HydrophobicContact CG1-CD2 3.9Å; V6-L8 HydrophobicContact CG1-CG 4.41Å; V6-V20 CarbonylContact O-C 3.53Å; V6-V20 WeakPolarHBondContact O-CA 3.48Å; V6-C21 PolarHBondContact N-O 3.29Å; V6-C21 PolarHBondContact O-N 2.9Å; V6-V23 HydrophobicContact CG2-CG2 4.27Å
7K97.6Very high93Very high170 Ų17084.6 Ų84.674%0.73946%0.455SS*.EExtended strand (participates in β ladder)trans-85.6131.1174.1-66.6179.8179.9175.10109.2V20K7-V20 HydrophobicContact CG-CG2 4.24Å
8L95.7Very high93.3Very high20 Ų2083.6 Ų83.611%0.10545%0.449CS..EExtended strand (participates in β ladder)trans-124.7151.4-176.3-61.2175.9000110.7V6 A19 C21 L62 Y84 Y91V6-L8 HydrophobicContact CG1-CD2 3.9Å; V6-L8 HydrophobicContact CG1-CG 4.41Å; L8-A19 HydrophobicContact CB-CB 4.16Å; L8-A19 PolarHBondContact N-O 3.39Å; L8-A19 PolarHBondContact O-N 3.24Å; L8-A19 VanDerWaalsContact O-O 3.11Å; L8-C21 HydrophobicContact CD1-CB 4.07Å; L8-L62 HydrophobicContact CD1-CD1 4.31Å; L8-Y84 HydrophobicContact CD1-CE1 4.26Å; L8-Y91 HydrophobicContact CD1-CE2 4.1Å
9K96.8Very high93.5Very high122 Ų12279.3 Ų79.353%0.5343%0.427SS..EExtended strand (participates in β ladder)trans-119.2111.6168.9-67.4-68-171.3166.30107.7L16 L17 D18K9-L16 HydrophobicContact CB-CB 4.21Å; K9-L16 HydrophobicContact CB-CD1 4.13Å; K9-L16 HydrophobicContact CB-CD2 4.39Å; K9-L16 HydrophobicContact CB-CG 4.47Å; K9-L16 HydrophobicContact CD-CB 4.29Å; K9-L16 HydrophobicContact CG-CD1 4.48Å; K9-L17 WeakPolarHBondContact CA-O 3.22Å; K9-D18 WeakPolarHBondContact CE-OD1 3.49Å; K9-D18 IonicContact NZ-OD1 3.49Å; K9-D18 PolarHBondContact NZ-OD1 3.21Å
10I97.1Very high93.8Very high0 Ų075.6 Ų75.60%041%0.407CS..EExtended strand (participates in β ladder)trans-99.3125.8-174.6-60.5171.5000109.4F12 L16 L17 A19 L62 V81 Y84I10-F12 PolarHBondContact O-N 3.37Å; I10-L16 CarbonylContact O-C 3.58Å; I10-L16 WeakPolarHBondContact O-CA 3.22Å; I10-L17 HydrophobicContact CB-CB 4.34Å; I10-L17 PolarHBondContact N-O 3.39Å; I10-L17 PolarHBondContact O-N 2.84Å; I10-A19 HydrophobicContact CD1-CB 3.63Å; I10-A19 HydrophobicContact CG1-CB 4.18Å; I10-L62 HydrophobicContact CD1-CD1 3.98Å; I10-L62 HydrophobicContact CD1-CD2 4.29Å; I10-V81 HydrophobicContact CD1-CB 4.36Å; I10-V81 HydrophobicContact CD1-CG1 4.03Å; I10-V81 HydrophobicContact CD1-CG2 3.88Å; I10-V81 HydrophobicContact CG2-CG2 4.35Å; I10-Y84 HydrophobicContact CD1-CD1 4.12Å; I10-Y84 HydrophobicContact CD1-CG 4.49Å; I10-Y84 HydrophobicContact CG1-CD1 4.15Å; I10-Y84 HydrophobicContact CG1-CE1 4.37Å; I10-Y84 HydrophobicContact CG1-CG 4.23Å; I10-Y84 HydrophobicContact CG2-CD2 4.24Å; I10-Y84 HydrophobicContact CG2-CG 3.98Å
11P96.3Very high93.9Very high84 Ų8472 Ų7255%0.54539%0.387SS..EExtended strand (participates in β ladder)trans-56.6131175.8-25.835.1000112.7
12F94.8Very high95.6Very high23 Ų2362.1 Ų62.110%0.10134%0.339CS..EExtended strand (participates in β ladder)trans-148.9100.8176.4172.2-133.2000110.8I10 N14 K15 L17 H73 K76 A77 S80I10-F12 PolarHBondContact O-N 3.37Å; F12-N14 PolarHBondContact O-N 2.81Å; F12-K15 CarbonylContact C-O 3.5Å; F12-K15 PolarHBondContact N-O 2.74Å; F12-K15 PolarHBondContact O-N 3.19Å; F12-L17 HydrophobicContact CB-CD1 3.82Å; F12-L17 HydrophobicContact CB-CD2 4.38Å; F12-L17 HydrophobicContact CB-CG 3.69Å; F12-L17 HydrophobicContact CD1-CD1 4.21Å; F12-L17 HydrophobicContact CD1-CD2 3.66Å; F12-L17 HydrophobicContact CD1-CG 3.94Å; F12-L17 HydrophobicContact CE1-CD2 4.33Å; F12-L17 HydrophobicContact CG-CD1 4.08Å; F12-L17 HydrophobicContact CG-CD2 4.32Å; F12-L17 HydrophobicContact CG-CG 4.1Å; F12-H73 AromaticContact CE1-CE1 3.29Å; F12-H73 WeakPolarHBondContact CE1-CE1 3.1Å; F12-H73 AromaticContact CE1-NE2 3.57Å; F12-H73 AromaticContact CZ-CE1 3.56Å; F12-H73 AromaticContact CZ-ND1 3.81Å; F12-K76 HydrophobicContact CE2-CB 3.72Å; F12-K76 HydrophobicContact CZ-CB 4.08Å; F12-A77 HydrophobicContact CD1-CB 4.08Å; F12-A77 HydrophobicContact CD2-CB 4.48Å; F12-A77 HydrophobicContact CE1-CB 3.67Å; F12-A77 HydrophobicContact CE2-CB 4.16Å; F12-A77 HydrophobicContact CG-CB 4.45Å; F12-A77 HydrophobicContact CZ-CB 3.73Å; F12-S80 WeakPolarHBondContact CD2-OG 3.34Å
13G91.5Very high96Very high79 Ų7960.7 Ų60.781%0.81433%0.327SS*.THydrogen-bonded Turntrans58.7-125.4-171.100000110.6
14N92.8Very high96.1Very high156 Ų15659.6 Ų59.683%0.83432%0.323SS*.THydrogen-bonded Turntrans-94.614.2174.167-14.6000113.7F12F12-N14 PolarHBondContact O-N 2.81Å
15K93.7Very high95.9Very high132 Ų13260.9 Ų60.957%0.57433%0.327SS*.EExtended strand (participates in β ladder)trans-122.4171.8-178.2-60.8-178-175.6-179.90110.8F12F12-K15 CarbonylContact C-O 3.5Å; F12-K15 PolarHBondContact N-O 2.74Å; F12-K15 PolarHBondContact O-N 3.19Å
16L96.4Very high95.1Very high107 Ų10762.7 Ų62.756%0.5633%0.333SS*.EExtended strand (participates in β ladder)trans-116.4130.9170.4-62.6171.2000108.9K9 I10K9-L16 HydrophobicContact CB-CB 4.21Å; K9-L16 HydrophobicContact CB-CD1 4.13Å; K9-L16 HydrophobicContact CB-CD2 4.39Å; K9-L16 HydrophobicContact CB-CG 4.47Å; K9-L16 HydrophobicContact CD-CB 4.29Å; K9-L16 HydrophobicContact CG-CD1 4.48Å; I10-L16 CarbonylContact O-C 3.58Å; I10-L16 WeakPolarHBondContact O-CA 3.22Å
17L97.5Very high94.3Very high12 Ų1265.4 Ų65.46%0.06335%0.354CS..EExtended strand (participates in β ladder)trans-81.8133.8169.5-63.9170.8000109.3K9 I10 F12 A19 F64 A77 V81K9-L17 WeakPolarHBondContact CA-O 3.22Å; I10-L17 HydrophobicContact CB-CB 4.34Å; I10-L17 PolarHBondContact N-O 3.39Å; I10-L17 PolarHBondContact O-N 2.84Å; F12-L17 HydrophobicContact CB-CD1 3.82Å; F12-L17 HydrophobicContact CB-CD2 4.38Å; F12-L17 HydrophobicContact CB-CG 3.69Å; F12-L17 HydrophobicContact CD1-CD1 4.21Å; F12-L17 HydrophobicContact CD1-CD2 3.66Å; F12-L17 HydrophobicContact CD1-CG 3.94Å; F12-L17 HydrophobicContact CE1-CD2 4.33Å; F12-L17 HydrophobicContact CG-CD1 4.08Å; F12-L17 HydrophobicContact CG-CD2 4.32Å; F12-L17 HydrophobicContact CG-CG 4.1Å; L17-A19 PolarHBondContact O-N 3.44Å; L17-F64 HydrophobicContact CD1-CD2 4.36Å; L17-A77 HydrophobicContact CD1-CB 3.9Å; L17-A77 HydrophobicContact CD2-CB 4.13Å; L17-V81 HydrophobicContact CD1-CG2 3.79Å
18D98.3Very high93.1Very high65 Ų6559.1 Ų59.135%0.34833%0.328SS..EExtended strand (participates in β ladder)trans-72.2123.3167.6-72.8-50.9000109.6K9 M42 F64 T65K9-D18 WeakPolarHBondContact CE-OD1 3.49Å; K9-D18 IonicContact NZ-OD1 3.49Å; K9-D18 PolarHBondContact NZ-OD1 3.21Å; D18-M42 HydrophobicContact CB-CE 4.05Å; D18-M42 HydrophobicContact CB-SD 4.41Å; D18-F64 CarbonylContact O-C 3.43Å; D18-F64 VanDerWaalsContact O-CA 3.3Å; D18-F64 WeakPolarHBondContact O-CA 3.46Å; D18-T65 PolarHBondContact O-N 3.06Å
19A98.5Very high92.6Very high3 Ų361.1 Ų61.13%0.02534%0.342CS..EExtended strand (participates in β ladder)trans-135.2156174.600000111.5L8 I10 L17 L62 R63 F64L8-A19 HydrophobicContact CB-CB 4.16Å; L8-A19 PolarHBondContact N-O 3.39Å; L8-A19 PolarHBondContact O-N 3.24Å; L8-A19 VanDerWaalsContact O-O 3.11Å; I10-A19 HydrophobicContact CD1-CB 3.63Å; I10-A19 HydrophobicContact CG1-CB 4.18Å; L17-A19 PolarHBondContact O-N 3.44Å; A19-L62 HydrophobicContact CB-CD2 4.12Å; A19-L62 HydrophobicContact CB-CG 4.42Å; A19-R63 CarbonylContact C-O 3.54Å; A19-R63 WeakPolarHBondContact CA-O 3.39Å; A19-F64 HydrophobicContact CB-CB 3.88Å
20V98.4Very high92.6Very high4 Ų456.3 Ų56.32%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-132.5126.1171.3174.50000107.1E5 V6 K7 L22 M42 R63E5-V20 HydrophobicContact CG-CG1 3.37Å; V6-V20 CarbonylContact O-C 3.53Å; V6-V20 WeakPolarHBondContact O-CA 3.48Å; K7-V20 HydrophobicContact CG-CG2 4.24Å; V20-L22 HydrophobicContact CG1-CD2 4.48Å; V20-M42 HydrophobicContact CB-SD 4.43Å; V20-M42 HydrophobicContact CG2-CE 3.6Å; V20-M42 HydrophobicContact CG2-SD 3.96Å; V20-R63 PolarHBondContact N-O 3.47Å; V20-R63 PolarHBondContact O-N 2.7Å
21C96.7Very high92.6Very high0 Ų056.3 Ų56.30%032%0.32CS..EExtended strand (participates in β ladder)trans-105.5145168.768.70000111.9E5 V6 L8 F60 C61 L62E5-C21 WeakPolarHBondContact CA-O 3.34Å; V6-C21 PolarHBondContact N-O 3.29Å; V6-C21 PolarHBondContact O-N 2.9Å; L8-C21 HydrophobicContact CD1-CB 4.07Å; C21-F60 HydrophobicContact CB-CE1 4.22Å; C21-F60 HydrophobicContact CB-CE2 3.68Å; C21-F60 HydrophobicContact CB-CZ 3.43Å; C21-F60 VanDerWaalsContact CB-CZ 3.43Å; C21-C61 CarbonylContact C-O 3.58Å; C21-C61 WeakPolarHBondContact CA-O 3.34Å; C21-L62 HydrophobicContact CB-CB 4.37Å
22L97.2Very high92.7Very high5 Ų552.3 Ų52.33%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-107.2113.4168.1-56.1-175.1000107.3T4 E5 V20 A51 A55 C61T4-L22 CarbonylContact O-C 3.39Å; T4-L22 WeakPolarHBondContact O-CA 3.49Å; E5-L22 HydrophobicContact CB-CD2 3.72Å; E5-L22 HydrophobicContact CG-CD2 3.75Å; V20-L22 HydrophobicContact CG1-CD2 4.48Å; L22-A51 HydrophobicContact CD1-CB 3.81Å; L22-A55 HydrophobicContact CB-CB 3.63Å; L22-A55 HydrophobicContact CD1-CB 4.12Å; L22-C61 HydrophobicContact CB-CB 4.38Å; L22-C61 PolarHBondContact N-O 2.92Å; L22-C61 PolarHBondContact O-N 2.72Å; L22-C61 VanDerWaalsContact O-N 3.1Å
23V96.4Very high92.9Very high29 Ų2951.2 Ų51.218%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-100110.4-176.4-171.60000108.1H3 T4 V6 L28 F60 Y91H3-V23 CarbonylContact C-O 3.48Å; H3-V23 WeakPolarHBondContact CA-O 3.4Å; H3-V23 VanDerWaalsContact CB-O 3.24Å; H3-V23 WeakPolarHBondContact CB-O 3.26Å; T4-V23 PolarHBondContact N-O 2.63Å; T4-V23 PolarHBondContact O-N 3.31Å; V6-V23 HydrophobicContact CG2-CG2 4.27Å; V23-L28 HydrophobicContact CG1-CD1 4.43Å; V23-L28 HydrophobicContact CG1-CD2 3.95Å; V23-F60 HydrophobicContact CG2-CD2 4.21Å; V23-F60 HydrophobicContact CG2-CE2 3.98Å; V23-Y91 HydrophobicContact CG2-CE1 4.09Å
24P94.8Very high93.2Very high6 Ų647.5 Ų47.54%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-63.8150.417828.7-36.5000111K26 L28P24-K26 PolarHBondContact O-N 3.41Å; P24-K26 VanDerWaalsContact O-N 3.09Å; P24-L28 HydrophobicContact CG-CD2 3.6Å
25N89.3Confident93.5Very high108 Ų10840.2 Ų40.258%0.57821%0.212SC*.SBendtrans-744.6177-60.7-9.6000113.4M1 S2M1-N25 PolarHBondContact O-ND2 3.22Å; S2-N25 PolarHBondContact O-N 3.21Å
26K80.6Confident93.7Very high145 Ų14534 Ų3463%0.6319%0.185SC*.SBendtrans-102.6164.6177.4-65.7-176.9178.7179.80109.4P24 L28P24-K26 PolarHBondContact O-N 3.41Å; P24-K26 VanDerWaalsContact O-N 3.09Å; K26-L28 PolarHBondContact O-N 3.3Å
27S79.2Confident93.7Very high104 Ų10428.9 Ų28.973%0.72716%0.158SC*.PPolyproline II helixtrans-52.6128.9173.7-168.90000110.5T29S27-T29 PolarHBondContact O-N 3.11Å
28L73.3Confident93.6Very high37 Ų3730.3 Ų30.319%0.19417%0.172CC..PPolyproline II helixtrans-68.8123.1177.3-53.7-179.5000108.5V23 P24 K26 F60 Y91 L93V23-L28 HydrophobicContact CG1-CD1 4.43Å; V23-L28 HydrophobicContact CG1-CD2 3.95Å; P24-L28 HydrophobicContact CG-CD2 3.6Å; K26-L28 PolarHBondContact O-N 3.3Å; L28-F60 HydrophobicContact CD1-CD2 4.5Å; L28-F60 HydrophobicContact CD2-CB 4.28Å; L28-F60 HydrophobicContact CD2-CD2 4.47Å; L28-Y91 HydrophobicContact CD1-CD1 4.11Å; L28-L93 HydrophobicContact CB-CD2 3.95Å
29T85.6Confident93.3Very high63 Ų6331.3 Ų31.339%0.38718%0.184SC..  trans-114-61.8173.353.70000109.5S27 A94S27-T29 PolarHBondContact O-N 3.11Å; T29-A94 WeakPolarHBondContact O-CB 3.17Å; T29-A94 PolarHBondContact O-N 3.04Å
30Y95.8Very high93.1Very high21 Ų2133.1 Ų33.18%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-121.7147.2-177.7-65.5-77.6000112.1F60 A94 G95 R125 T220 D223Y30-F60 PolarHBondContact O-N 3.27Å; Y30-A94 HydrophobicContact CE1-CB 4.13Å; Y30-G95 WeakPolarHBondContact CA-O 3.41Å; Y30-R125 HydrophobicContact CD1-CG 4.08Å; Y30-R125 HydrophobicContact CE1-CG 3.95Å; Y30-R125 PolarHBondContact OH-NH1 3.41Å; Y30-T220 HydrophobicContact CD1-CG2 4.18Å; Y30-T220 HydrophobicContact CD2-CG2 3.39Å; Y30-T220 HydrophobicContact CE1-CG2 4.26Å; Y30-T220 HydrophobicContact CE2-CG2 3.45Å; Y30-T220 VanDerWaalsContact CE2-CG2 3.45Å; Y30-T220 HydrophobicContact CG-CG2 3.77Å; Y30-D223 PolarHBondContact OH-OD2 2.75Å; Y30-D223 VanDerWaalsContact OH-OD2 3.07Å
31G97.3Very high93Very high0 Ų035.4 Ų35.40%022%0.215CC..EExtended strand (participates in β ladder)trans-109.4158.317500000113.4F60 G95 V96 F97G31-F60 CarbonylContact C-O 3.52Å; G31-F60 WeakPolarHBondContact CA-O 3.11Å; G31-G95 PolarHBondContact N-O 3.42Å; G31-V96 CarbonylContact O-C 3.57Å; G31-V96 WeakPolarHBondContact O-CA 3.44Å; G31-F97 PolarHBondContact O-N 2.9Å
32I98.4Very high93.1Very high0 Ų036.3 Ų36.30%022%0.22CC..EExtended strand (participates in β ladder)trans-127.2124.9169.6-59.187.8000107.9L34 L54 F59 F60 C61 L62 F97 I128 I216I32-L34 HydrophobicContact CG2-CD1 4.49Å; I32-L34 HydrophobicContact CG2-CD2 3.81Å; I32-L34 HydrophobicContact CG2-CG 3.86Å; I32-L54 HydrophobicContact CB-CD1 4.35Å; I32-L54 HydrophobicContact CD1-CD1 4.07Å; I32-L54 HydrophobicContact CG1-CD1 4Å; I32-L54 HydrophobicContact CG2-CD1 4.34Å; I32-F59 HydrophobicContact CD1-CB 3.38Å; I32-F59 HydrophobicContact CD1-CD1 3.9Å; I32-F59 HydrophobicContact CD1-CG 3.79Å; I32-F60 PolarHBondContact N-O 2.98Å; I32-C61 CarbonylContact O-C 3.56Å; I32-C61 WeakPolarHBondContact O-CA 3.5Å; I32-L62 PolarHBondContact O-N 3.44Å; I32-F97 WeakPolarHBondContact CA-O 3.28Å; I32-F97 HydrophobicContact CG1-CB 4.16Å; I32-F97 HydrophobicContact CG1-CD2 4.42Å; I32-I128 HydrophobicContact CG2-CD1 4.18Å; I32-I216 HydrophobicContact CD1-CD1 4.26Å; I32-I216 HydrophobicContact CG1-CD1 3.94Å
33I98.7Very high93.1Very high0 Ų039.4 Ų39.40%024%0.236CC..EExtended strand (participates in β ladder)trans-97.4127.6171.8-56.5170.7000107.8L62 F64 Y78 V81 L82 L85 V96 F97 L98 G99I33-L62 CarbonylContact C-O 3.59Å; I33-L62 WeakPolarHBondContact CA-O 3.36Å; I33-L62 HydrophobicContact CG2-CD2 4.46Å; I33-F64 HydrophobicContact CG2-CD1 3.92Å; I33-F64 HydrophobicContact CG2-CE1 3.64Å; I33-Y78 HydrophobicContact CB-CE1 4.02Å; I33-Y78 WeakPolarHBondContact CB-OH 3.37Å; I33-Y78 HydrophobicContact CD1-CE1 4.26Å; I33-Y78 HydrophobicContact CG2-CD1 4.39Å; I33-Y78 HydrophobicContact CG2-CE1 3.55Å; I33-Y78 HydrophobicContact CG2-CE2 4.43Å; I33-Y78 WeakPolarHBondContact CG2-OH 3.3Å; I33-Y78 PolarHBondContact O-OH 3.11Å; I33-V81 HydrophobicContact CD1-CG1 4.31Å; I33-V81 HydrophobicContact CG1-CG1 4.48Å; I33-V81 HydrophobicContact CG2-CG1 3.77Å; I33-L82 HydrophobicContact CD1-CB 4.21Å; I33-L82 HydrophobicContact CD1-CD1 4.02Å; I33-L85 HydrophobicContact CD1-CD1 3.89Å; I33-L85 HydrophobicContact CG1-CD1 3.64Å; I33-V96 HydrophobicContact CD1-CG2 4.34Å; I33-F97 PolarHBondContact N-O 3.19Å; I33-L98 HydrophobicContact CD1-CD2 4.06Å; I33-G99 WeakPolarHBondContact O-CA 3.28Å; I33-G99 PolarHBondContact O-N 3.05Å
34L98.8Very high93.1Very high0 Ų039.9 Ų39.90%024%0.237CC..EExtended strand (participates in β ladder)trans-126137.4-179.4-65.8175.2000110.8I32 L50 A51 L62 R63 F64 G99I32-L34 HydrophobicContact CG2-CD1 4.49Å; I32-L34 HydrophobicContact CG2-CD2 3.81Å; I32-L34 HydrophobicContact CG2-CG 3.86Å; L34-L50 HydrophobicContact CD1-CB 4.49Å; L34-L50 HydrophobicContact CD1-CD2 3.9Å; L34-L50 HydrophobicContact CD1-CG 4.13Å; L34-L50 HydrophobicContact CD2-CD2 3.99Å; L34-A51 HydrophobicContact CD1-CB 4.29Å; L34-L62 PolarHBondContact N-O 3.5Å; L34-R63 HydrophobicContact CB-CG 4.02Å; L34-R63 HydrophobicContact CD1-CG 4.26Å; L34-R63 VanDerWaalsContact O-CA 3.3Å; L34-R63 WeakPolarHBondContact O-CA 3.33Å; L34-F64 PolarHBondContact O-N 2.92Å; L34-F64 VanDerWaalsContact O-N 3.11Å; L34-G99 WeakPolarHBondContact CA-O 3.44Å
35T98.5Very high93.2Very high3 Ų343.5 Ų43.52%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-136.4160.2169.9-159.30000113.3F64 Y78 G99 G100 R101 G104T35-F64 HydrophobicContact CG2-CE1 4.3Å; T35-F64 HydrophobicContact CG2-CZ 4.02Å; T35-F64 PolarHBondContact OG1-O 3.46Å; T35-F64 VanDerWaalsContact OG1-O 3.04Å; T35-Y78 HydrophobicContact CG2-CD2 3.95Å; T35-Y78 HydrophobicContact CG2-CE2 3.89Å; T35-G99 PolarHBondContact N-O 3.42Å; T35-G100 WeakPolarHBondContact O-CA 3.49Å; T35-R101 PolarHBondContact O-N 3.32Å; T35-G104 VanDerWaalsContact CG2-CA 3.47Å
36H98Very high93.5Very high2 Ų239.9 Ų39.91%0.00924%0.24CC..  trans-83.5168.2-176.26694.9000112.9S39 G40 D41 L44 L47 C66 R74 G104H36-S39 PolarHBondContact ND1-O 2.9Å; H36-G40 PolarHBondContact CE1-O 3.46Å; H36-G40 PolarHBondContact ND1-O 3.32Å; H36-D41 WeakPolarHBondContact CB-O 3.47Å; H36-L44 HydrophobicContact CB-CD1 3.85Å; H36-L47 HydrophobicContact CB-CD1 3.92Å; H36-C66 PolarHBondContact CE1-O 3.19Å; H36-C66 PolarHBondContact NE2-N 3.4Å; H36-C66 PolarHBondContact NE2-O 2.88Å; H36-R74 PolarHBondContact O-NH1 3.19Å; H36-G104 WeakPolarHBondContact O-CA 3.49Å; H36-G104 PolarHBondContact O-N 2.97Å
37G96.9Very high94.3Very high0 Ų033 Ų330%021%0.21CC..  trans-75.8-160.9176.200000113.8S39 R74 R101G37-S39 PolarHBondContact O-N 3.15Å; G37-R74 VanDerWaalsContact O-CZ 3.29Å; G37-R74 PolarHBondContact O-NH1 3.04Å; G37-R74 VanDerWaalsContact O-NH1 3.09Å; G37-R74 PolarHBondContact O-NH2 3.18Å; G37-R101 WeakPolarHBondContact CA-O 3.49Å; G37-R101 PolarHBondContact N-O 3.46Å
38A95Very high95.2Very high42 Ų4231.8 Ų31.835%0.34720%0.195SC..SBendtrans-57.9-36.5-179.300000112.6L69 R74 M103A38-L69 HydrophobicContact CB-CD2 3.77Å; A38-L69 WeakPolarHBondContact O-CD2 3.44Å; A38-R74 PolarHBondContact O-NH2 3.38Å; A38-M103 HydrophobicContact CB-CB 4.31Å; A38-M103 HydrophobicContact CB-CE 3.85Å; A38-M103 HydrophobicContact CB-SD 4.07Å
39S92.1Very high96.4Very high85 Ų8531.9 Ų31.959%0.59420%0.198SC*.SBendtrans-109.4167.6174.960.80000112H36 G37H36-S39 PolarHBondContact ND1-O 2.9Å; G37-S39 PolarHBondContact O-N 3.15Å
40G93.4Very high97Very high42 Ų4228.9 Ų28.943%0.43318%0.18SC..SBendtrans77.2-159.8179.500000113.5H36H36-G40 PolarHBondContact CE1-O 3.46Å; H36-G40 PolarHBondContact ND1-O 3.32Å
41D97.7Very high97.1Very high52 Ų5227.9 Ų27.928%0.27818%0.176SC..  trans-150-171.8-178.362.330000110.4H36 N43 L44 T65H36-D41 WeakPolarHBondContact CB-O 3.47Å; D41-N43 PolarHBondContact O-N 3.35Å; D41-N43 VanDerWaalsContact O-N 3.11Å; D41-N43 WeakPolarHBondContact OD1-CA 3.44Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.4Å; D41-N43 PolarHBondContact OD1-N 3.18Å; D41-L44 WeakPolarHBondContact O-CG 3.29Å; D41-L44 PolarHBondContact O-N 3.48Å; D41-T65 HydrophobicContact CB-CG2 3.7Å
42M97.3Very high97.1Very high19 Ų1930.3 Ų30.39%0.09419%0.193CC..THydrogen-bonded Turntrans-56.5-23.8177.966.3-168.5177.100114.3D18 V20 L44 R63 T65D18-M42 HydrophobicContact CB-CE 4.05Å; D18-M42 HydrophobicContact CB-SD 4.41Å; V20-M42 HydrophobicContact CB-SD 4.43Å; V20-M42 HydrophobicContact CG2-CE 3.6Å; V20-M42 HydrophobicContact CG2-SD 3.96Å; M42-L44 VanDerWaalsContact C-N 3.32Å; M42-L44 PolarHBondContact O-N 3.39Å; M42-R63 HydrophobicContact CB-CB 3.86Å; M42-R63 PolarHBondContact O-NH1 2.85Å; M42-T65 WeakPolarHBondContact CB-OG1 3.44Å; M42-T65 VanDerWaalsContact CG-OG1 3.24Å; M42-T65 WeakPolarHBondContact CG-OG1 3.28Å; M42-T65 PolarHBondContact N-OG1 2.99Å
43N97.8Very high97.1Very high69 Ų6932.4 Ų32.437%0.36920%0.202SC..THydrogen-bonded Turntrans-88.912.9-175.5-53.9-55.2000113.9D41 M48D41-N43 PolarHBondContact O-N 3.35Å; D41-N43 VanDerWaalsContact O-N 3.11Å; D41-N43 WeakPolarHBondContact OD1-CA 3.44Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.4Å; D41-N43 PolarHBondContact OD1-N 3.18Å; N43-M48 HydrophobicContact CB-SD 4.11Å
44L96.6Very high97Very high39 Ų3932.4 Ų32.420%0.20420%0.202CC..  trans-57.6134.2171.1-71.8171.9000110.4H36 D41 M42 H46 L47 M48H36-L44 HydrophobicContact CB-CD1 3.85Å; D41-L44 WeakPolarHBondContact O-CG 3.29Å; D41-L44 PolarHBondContact O-N 3.48Å; M42-L44 VanDerWaalsContact C-N 3.32Å; M42-L44 PolarHBondContact O-N 3.39Å; L44-H46 VanDerWaalsContact C-N 3.29Å; L44-H46 WeakPolarHBondContact CB-CE1 3.34Å; L44-H46 PolarHBondContact O-N 3.4Å; L44-H46 VanDerWaalsContact O-N 3.11Å; L44-L47 HydrophobicContact CB-CD1 4.43Å; L44-L47 HydrophobicContact CB-CG 4.39Å; L44-L47 PolarHBondContact O-N 3Å; L44-M48 PolarHBondContact O-N 3.33Å
45P96.4Very high96.9Very high83 Ų8332.4 Ų32.454%0.53920%0.203SC..Hα-helixtrans-53.9-37.8-171.5-32.536.3000115.5M48 S49 F205P45-M48 PolarHBondContact O-N 2.8Å; P45-S49 VanDerWaalsContact O-CB 3.22Å; P45-S49 WeakPolarHBondContact O-CB 3.37Å; P45-S49 PolarHBondContact O-N 2.95Å; P45-F205 HydrophobicContact CB-CE2 3.88Å; P45-F205 HydrophobicContact CB-CZ 4.36Å
46H95.3Very high96.8Very high31 Ų3134.6 Ų34.614%0.14422%0.218CC..Hα-helixtrans-66.2-39.1177.263.6-79.3000112.4L44 L50 R101 F205L44-H46 VanDerWaalsContact C-N 3.29Å; L44-H46 WeakPolarHBondContact CB-CE1 3.34Å; L44-H46 PolarHBondContact O-N 3.4Å; L44-H46 VanDerWaalsContact O-N 3.11Å; H46-L50 WeakPolarHBondContact O-CB 3.25Å; H46-L50 PolarHBondContact O-N 3.49Å; H46-R101 WeakPolarHBondContact CE1-CD 3.01Å; H46-R101 WeakPolarHBondContact NE2-CD 3.37Å; H46-F205 HydrophobicContact CB-CD1 4.04Å; H46-F205 HydrophobicContact CB-CE1 3.51Å; H46-F205 HydrophobicContact CB-CE2 4.1Å; H46-F205 HydrophobicContact CB-CZ 3.54Å
47L97.9Very high96.6Very high0 Ų038.4 Ų38.40%024%0.236CC..Hα-helixtrans-68.8-42.7176.4-62.2-177.7000110.9H36 L44 L50 A51 R63H36-L47 HydrophobicContact CB-CD1 3.92Å; L44-L47 HydrophobicContact CB-CD1 4.43Å; L44-L47 HydrophobicContact CB-CG 4.39Å; L44-L47 PolarHBondContact O-N 3Å; L47-L50 PolarHBondContact O-N 3.37Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 2.67Å; L47-R63 WeakPolarHBondContact O-CD 3.37Å
48M98.1Very high96.5Very high80 Ų8038.9 Ų38.939%0.39424%0.241SC..Hα-helixtrans-58.9-48.9174.8-74.7-178.474.200111.6N43 L44 P45 L50 A51 S52N43-M48 HydrophobicContact CB-SD 4.11Å; L44-M48 PolarHBondContact O-N 3.33Å; P45-M48 PolarHBondContact O-N 2.8Å; M48-L50 PolarHBondContact O-N 3.43Å; M48-A51 PolarHBondContact O-N 3.05Å; M48-S52 WeakPolarHBondContact O-CB 3.37Å; M48-S52 PolarHBondContact O-N 3.33Å
49S98Very high96.5Very high38 Ų3837.5 Ų37.527%0.26623%0.227SC..Hα-helixtrans-58.6-48.5178.8-177.10000111.3P45 S52 H53 N209P45-S49 VanDerWaalsContact O-CB 3.22Å; P45-S49 WeakPolarHBondContact O-CB 3.37Å; P45-S49 PolarHBondContact O-N 2.95Å; S49-S52 PolarHBondContact O-N 3.2Å; S49-H53 WeakPolarHBondContact O-CB 3.5Å; S49-H53 PolarHBondContact O-N 2.7Å; S49-N209 PolarHBondContact O-ND2 3.3Å; S49-N209 PolarHBondContact OG-ND2 3.4Å
50L98.5Very high96.8Very high1 Ų133.4 Ų33.41%0.00520%0.198CC..Hα-helixtrans-62.1-50.3178.3179.660.2000112.2L34 H46 L47 M48 S52 H53 L54 I130 N209 I212L34-L50 HydrophobicContact CD1-CB 4.49Å; L34-L50 HydrophobicContact CD1-CD2 3.9Å; L34-L50 HydrophobicContact CD1-CG 4.13Å; L34-L50 HydrophobicContact CD2-CD2 3.99Å; H46-L50 WeakPolarHBondContact O-CB 3.25Å; H46-L50 PolarHBondContact O-N 3.49Å; L47-L50 PolarHBondContact O-N 3.37Å; M48-L50 PolarHBondContact O-N 3.43Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 3.38Å; L50-H53 PolarHBondContact O-N 3.06Å; L50-L54 HydrophobicContact CD1-CD1 3.77Å; L50-L54 HydrophobicContact CD1-CG 3.97Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CG 3.01Å; L50-L54 PolarHBondContact O-N 3.03Å; L50-I130 HydrophobicContact CD2-CD1 3.72Å; L50-N209 VanDerWaalsContact CA-OD1 3.28Å; L50-N209 WeakPolarHBondContact CA-OD1 3.37Å; L50-N209 WeakPolarHBondContact CB-OD1 3.39Å; L50-N209 HydrophobicContact CD1-CB 4.29Å; L50-I212 HydrophobicContact CD1-CB 4.08Å; L50-I212 HydrophobicContact CD1-CD1 3.8Å; L50-I212 HydrophobicContact CD1-CG2 4.01Å; L50-I212 HydrophobicContact CD2-CD1 3.71Å; L50-I212 HydrophobicContact CG-CD1 4.43Å
51A98.3Very high97Very high0 Ų031.4 Ų31.40%018%0.178CC..Hα-helixtrans-59.6-45.3179.800000111.4L22 L34 L47 M48 H53 L54 A55 C61 R63L22-A51 HydrophobicContact CD1-CB 3.81Å; L34-A51 HydrophobicContact CD1-CB 4.29Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 2.67Å; M48-A51 PolarHBondContact O-N 3.05Å; A51-H53 VanDerWaalsContact C-N 3.33Å; A51-H53 PolarHBondContact O-N 2.94Å; A51-L54 PolarHBondContact O-N 2.77Å; A51-A55 VanDerWaalsContact O-CB 3.23Å; A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 2.8Å; A51-C61 HydrophobicContact CB-CB 3.89Å; A51-R63 HydrophobicContact CB-CG 4.01Å
52S97.6Very high97.1Very high51 Ų5129 Ų2936%0.35717%0.165SC..Hα-helixtrans-63.5-39.5177.9-178.60000111.9M48 S49 L50 S56M48-S52 WeakPolarHBondContact O-CB 3.37Å; M48-S52 PolarHBondContact O-N 3.33Å; S49-S52 PolarHBondContact O-N 3.2Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 3.38Å; S52-S56 WeakPolarHBondContact O-CB 3.35Å; S52-S56 PolarHBondContact O-N 2.94Å; S52-S56 PolarHBondContact O-OG 3.37Å
53H97.6Very high97.1Very high43 Ų4328.2 Ų28.220%0.19916%0.161CC..Hα-helixtrans-65.2-48.8178.7-174.178.3000111.2S49 L50 A51 S56 H57 N209S49-H53 WeakPolarHBondContact O-CB 3.5Å; S49-H53 PolarHBondContact O-N 2.7Å; L50-H53 PolarHBondContact O-N 3.06Å; A51-H53 VanDerWaalsContact C-N 3.33Å; A51-H53 PolarHBondContact O-N 2.94Å; H53-S56 PolarHBondContact O-N 3.17Å; H53-S56 PolarHBondContact O-OG 3.18Å; H53-H57 AromaticContact CE1-CE1 3.52Å; H53-H57 AromaticContact ND1-CE1 3.93Å; H53-H57 AromaticContact NE2-CE1 3.77Å; H53-H57 AromaticContact NE2-ND1 4Å; H53-H57 PolarHBondContact O-N 3.11Å; H53-H57 PolarHBondContact O-ND1 3.45Å; H53-N209 HydrophobicContact CB-CB 4Å
54L97.4Very high97.2Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-64-42.9178.1-68.3174.4000111.7I32 L50 A51 S56 H57 G58 F59 C61 I212 L213 I216I32-L54 HydrophobicContact CB-CD1 4.35Å; I32-L54 HydrophobicContact CD1-CD1 4.07Å; I32-L54 HydrophobicContact CG1-CD1 4Å; I32-L54 HydrophobicContact CG2-CD1 4.34Å; L50-L54 HydrophobicContact CD1-CD1 3.77Å; L50-L54 HydrophobicContact CD1-CG 3.97Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CG 3.01Å; L50-L54 PolarHBondContact O-N 3.03Å; A51-L54 PolarHBondContact O-N 2.77Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 3.43Å; L54-H57 CarbonylContact O-C 3.44Å; L54-H57 WeakPolarHBondContact O-CA 3.35Å; L54-H57 PolarHBondContact O-N 3.3Å; L54-G58 PolarHBondContact O-N 3.11Å; L54-F59 HydrophobicContact CB-CB 4.28Å; L54-F59 HydrophobicContact CD2-CD2 4.47Å; L54-F59 PolarHBondContact O-N 2.66Å; L54-C61 WeakPolarHBondContact CB-SG 3.23Å; L54-I212 HydrophobicContact CD1-CG2 4.44Å; L54-I212 HydrophobicContact CD2-CG2 4.47Å; L54-L213 HydrophobicContact CD2-CB 4.09Å; L54-L213 HydrophobicContact CD2-CD1 4.04Å; L54-I216 HydrophobicContact CD1-CD1 4.18Å; L54-I216 HydrophobicContact CD2-CD1 3.76Å
55A96.8Very high97.3Very high1 Ų123.6 Ų23.61%0.00814%0.136CC..Hα-helixtrans-61.8-38.4175.600000112.8H3 L22 A51 H57 G58 F59H3-A55 HydrophobicContact CB-CB 3.91Å; L22-A55 HydrophobicContact CB-CB 3.63Å; L22-A55 HydrophobicContact CD1-CB 4.12Å; A51-A55 VanDerWaalsContact O-CB 3.23Å; A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 2.8Å; A55-H57 PolarHBondContact O-N 2.89Å; A55-G58 PolarHBondContact O-N 2.83Å; A55-G58 VanDerWaalsContact O-N 3.11Å; A55-F59 VanDerWaalsContact CA-O 3.27Å; A55-F59 WeakPolarHBondContact CA-O 3.42Å
56S95.4Very high97.3Very high49 Ų4919.8 Ų19.834%0.34311%0.112SC..Hα-helixtrans-64.5-18.7173.670.70000114.2S2 S52 H53 L54S2-S56 WeakPolarHBondContact OG-CA 3.42Å; S2-S56 WeakPolarHBondContact OG-CB 3.32Å; S52-S56 WeakPolarHBondContact O-CB 3.35Å; S52-S56 PolarHBondContact O-N 2.94Å; S52-S56 PolarHBondContact O-OG 3.37Å; H53-S56 PolarHBondContact O-N 3.17Å; H53-S56 PolarHBondContact O-OG 3.18Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 3.43Å
57H94.6Very high96.9Very high81 Ų8126 Ų2638%0.37514%0.139SC..THydrogen-bonded Turntrans-100.49.8176.7-67.787.9000113.3H53 L54 A55 F59 L213H53-H57 AromaticContact CE1-CE1 3.52Å; H53-H57 AromaticContact ND1-CE1 3.93Å; H53-H57 AromaticContact NE2-CE1 3.77Å; H53-H57 AromaticContact NE2-ND1 4Å; H53-H57 PolarHBondContact O-N 3.11Å; H53-H57 PolarHBondContact O-ND1 3.45Å; L54-H57 CarbonylContact O-C 3.44Å; L54-H57 WeakPolarHBondContact O-CA 3.35Å; L54-H57 PolarHBondContact O-N 3.3Å; A55-H57 PolarHBondContact O-N 2.89Å; H57-F59 HydrophobicContact CB-CD2 4.39Å; H57-L213 HydrophobicContact CB-CD1 3.73Å; H57-L213 HydrophobicContact CB-CD2 4.18Å
58G94.3Very high96.4Very high10 Ų1027.5 Ų27.510%0.10315%0.153CC..THydrogen-bonded Turntrans96.510.5171.400000115.4L54 A55L54-G58 PolarHBondContact O-N 3.11Å; A55-G58 PolarHBondContact O-N 2.83Å; A55-G58 VanDerWaalsContact O-N 3.11Å
59F96.4Very high96.1Very high13 Ų1329.7 Ų29.76%0.05717%0.166CC..  trans-95.3138.7176.2-65.6-81.2000112.3I32 L54 A55 H57 L213 I216 Q217I32-F59 HydrophobicContact CD1-CB 3.38Å; I32-F59 HydrophobicContact CD1-CD1 3.9Å; I32-F59 HydrophobicContact CD1-CG 3.79Å; L54-F59 HydrophobicContact CB-CB 4.28Å; L54-F59 HydrophobicContact CD2-CD2 4.47Å; L54-F59 PolarHBondContact O-N 2.66Å; A55-F59 VanDerWaalsContact CA-O 3.27Å; A55-F59 WeakPolarHBondContact CA-O 3.42Å; H57-F59 HydrophobicContact CB-CD2 4.39Å; F59-L213 HydrophobicContact CD2-CD1 4.09Å; F59-L213 HydrophobicContact CE2-CD1 3.58Å; F59-I216 HydrophobicContact CD1-CG2 4.03Å; F59-I216 HydrophobicContact CE1-CG2 3.32Å; F59-I216 HydrophobicContact CE2-CG2 4.17Å; F59-I216 HydrophobicContact CZ-CB 4.46Å; F59-I216 HydrophobicContact CZ-CG2 3.41Å; F59-I216 VanDerWaalsContact CZ-CG2 3.41Å; F59-Q217 HydrophobicContact CE2-CG 4.45Å; F59-Q217 HydrophobicContact CZ-CG 4.31Å
60F97.7Very high96Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-69.6132.9167.6177.2-90.5000109.3C21 V23 L28 Y30 G31 I32 L62 L85 Y91 L93C21-F60 HydrophobicContact CB-CE1 4.22Å; C21-F60 HydrophobicContact CB-CE2 3.68Å; C21-F60 HydrophobicContact CB-CZ 3.43Å; C21-F60 VanDerWaalsContact CB-CZ 3.43Å; V23-F60 HydrophobicContact CG2-CD2 4.21Å; V23-F60 HydrophobicContact CG2-CE2 3.98Å; L28-F60 HydrophobicContact CD1-CD2 4.5Å; L28-F60 HydrophobicContact CD2-CB 4.28Å; L28-F60 HydrophobicContact CD2-CD2 4.47Å; Y30-F60 PolarHBondContact O-N 3.27Å; G31-F60 CarbonylContact C-O 3.52Å; G31-F60 WeakPolarHBondContact CA-O 3.11Å; I32-F60 PolarHBondContact N-O 2.98Å; F60-L62 HydrophobicContact CE1-CB 3.79Å; F60-L62 HydrophobicContact CE1-CD1 4.34Å; F60-L62 HydrophobicContact CZ-CB 4.39Å; F60-L62 HydrophobicContact CZ-CD1 4.48Å; F60-L85 HydrophobicContact CD1-CD1 4.49Å; F60-L85 HydrophobicContact CE1-CD1 3.87Å; F60-L85 HydrophobicContact CE1-CD2 3.64Å; F60-L85 HydrophobicContact CE1-CG 4.45Å; F60-L85 HydrophobicContact CZ-CD2 3.87Å; F60-Y91 HydrophobicContact CD2-CD1 4.22Å; F60-Y91 HydrophobicContact CD2-CG 4.47Å; F60-Y91 AromaticContact CE2-CD1 3.55Å; F60-Y91 HydrophobicContact CE2-CD1 3.55Å; F60-Y91 HydrophobicContact CE2-CD2 4.04Å; F60-Y91 AromaticContact CE2-CE1 3.82Å; F60-Y91 HydrophobicContact CE2-CE1 3.82Å; F60-Y91 HydrophobicContact CE2-CE2 4.26Å; F60-Y91 AromaticContact CE2-CG 3.68Å; F60-Y91 HydrophobicContact CE2-CG 3.68Å; F60-Y91 HydrophobicContact CZ-CD1 4.23Å; F60-Y91 AromaticContact CZ-CD2 3.87Å; F60-Y91 HydrophobicContact CZ-CD2 3.87Å; F60-Y91 HydrophobicContact CZ-CE2 4.15Å; F60-Y91 AromaticContact CZ-CG 3.91Å; F60-Y91 HydrophobicContact CZ-CG 3.91Å; F60-L93 HydrophobicContact CB-CD2 3.82Å; F60-L93 HydrophobicContact CD1-CD1 3.96Å; F60-L93 HydrophobicContact CE1-CD1 4.4Å; F60-L93 HydrophobicContact CG-CD1 4.42Å; F60-L93 HydrophobicContact CG-CD2 4.24Å
61C98.1Very high95.9Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-127.4124.7178.3-69.70000110.7C21 L22 I32 A51 L54C21-C61 CarbonylContact C-O 3.58Å; C21-C61 WeakPolarHBondContact CA-O 3.34Å; L22-C61 HydrophobicContact CB-CB 4.38Å; L22-C61 PolarHBondContact N-O 2.92Å; L22-C61 PolarHBondContact O-N 2.72Å; L22-C61 VanDerWaalsContact O-N 3.1Å; I32-C61 CarbonylContact O-C 3.56Å; I32-C61 WeakPolarHBondContact O-CA 3.5Å; A51-C61 HydrophobicContact CB-CB 3.89Å; L54-C61 WeakPolarHBondContact CB-SG 3.23Å
62L98.5Very high95.8Very high0 Ų038.1 Ų38.10%021%0.211CC..EExtended strand (participates in β ladder)trans-115.7120174.7-173.6157.6000109.7L8 I10 A19 C21 I32 I33 L34 F60 F64 V81 L85L8-L62 HydrophobicContact CD1-CD1 4.31Å; I10-L62 HydrophobicContact CD1-CD1 3.98Å; I10-L62 HydrophobicContact CD1-CD2 4.29Å; A19-L62 HydrophobicContact CB-CD2 4.12Å; A19-L62 HydrophobicContact CB-CG 4.42Å; C21-L62 HydrophobicContact CB-CB 4.37Å; I32-L62 PolarHBondContact O-N 3.44Å; I33-L62 CarbonylContact C-O 3.59Å; I33-L62 WeakPolarHBondContact CA-O 3.36Å; I33-L62 HydrophobicContact CG2-CD2 4.46Å; L34-L62 PolarHBondContact N-O 3.5Å; F60-L62 HydrophobicContact CE1-CB 3.79Å; F60-L62 HydrophobicContact CE1-CD1 4.34Å; F60-L62 HydrophobicContact CZ-CB 4.39Å; F60-L62 HydrophobicContact CZ-CD1 4.48Å; L62-F64 HydrophobicContact CD2-CB 4.02Å; L62-F64 HydrophobicContact CD2-CD1 4.09Å; L62-V81 HydrophobicContact CD1-CG1 4.18Å; L62-V81 HydrophobicContact CD2-CG1 3.42Å; L62-V81 VanDerWaalsContact CD2-CG1 3.42Å; L62-V81 HydrophobicContact CG-CG1 4.44Å; L62-L85 HydrophobicContact CB-CD1 4.38Å; L62-L85 HydrophobicContact CD1-CD1 4.06Å; L62-L85 HydrophobicContact CD1-CD2 3.82Å; L62-L85 HydrophobicContact CD1-CG 4.05Å
63R98.7Very high95.7Very high3 Ų338.7 Ų38.71%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-105.4136.1170.7-59.2178.4-74.1130.1-2.9109A19 V20 L34 M42 L47 A51A19-R63 CarbonylContact C-O 3.54Å; A19-R63 WeakPolarHBondContact CA-O 3.39Å; V20-R63 PolarHBondContact N-O 3.47Å; V20-R63 PolarHBondContact O-N 2.7Å; L34-R63 HydrophobicContact CB-CG 4.02Å; L34-R63 HydrophobicContact CD1-CG 4.26Å; L34-R63 VanDerWaalsContact O-CA 3.3Å; L34-R63 WeakPolarHBondContact O-CA 3.33Å; M42-R63 HydrophobicContact CB-CB 3.86Å; M42-R63 PolarHBondContact O-NH1 2.85Å; L47-R63 WeakPolarHBondContact O-CD 3.37Å; A51-R63 HydrophobicContact CB-CG 4.01Å
64F98.7Very high95.6Very high1 Ų136.9 Ų36.90%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-136.2155177.775.2-85.1000113L17 D18 A19 I33 L34 T35 L62 C66 A77 Y78 V81L17-F64 HydrophobicContact CD1-CD2 4.36Å; D18-F64 CarbonylContact O-C 3.43Å; D18-F64 VanDerWaalsContact O-CA 3.3Å; D18-F64 WeakPolarHBondContact O-CA 3.46Å; A19-F64 HydrophobicContact CB-CB 3.88Å; I33-F64 HydrophobicContact CG2-CD1 3.92Å; I33-F64 HydrophobicContact CG2-CE1 3.64Å; L34-F64 PolarHBondContact O-N 2.92Å; L34-F64 VanDerWaalsContact O-N 3.11Å; T35-F64 HydrophobicContact CG2-CE1 4.3Å; T35-F64 HydrophobicContact CG2-CZ 4.02Å; T35-F64 PolarHBondContact OG1-O 3.46Å; T35-F64 VanDerWaalsContact OG1-O 3.04Å; L62-F64 HydrophobicContact CD2-CB 4.02Å; L62-F64 HydrophobicContact CD2-CD1 4.09Å; F64-C66 HydrophobicContact CE2-CB 4.15Å; F64-A77 HydrophobicContact CE2-CB 4.5Å; F64-Y78 AromaticContact CE1-CD2 3.95Å; F64-Y78 HydrophobicContact CE1-CD2 3.95Å; F64-Y78 HydrophobicContact CE1-CE2 4.07Å; F64-Y78 HydrophobicContact CE1-CG 4.15Å; F64-Y78 HydrophobicContact CZ-CD1 4.49Å; F64-Y78 AromaticContact CZ-CD2 3.62Å; F64-Y78 HydrophobicContact CZ-CD2 3.62Å; F64-Y78 HydrophobicContact CZ-CE2 4.19Å; F64-Y78 AromaticContact CZ-CG 3.76Å; F64-Y78 HydrophobicContact CZ-CG 3.76Å; F64-V81 HydrophobicContact CB-CG2 4.27Å; F64-V81 HydrophobicContact CD1-CB 4.31Å; F64-V81 HydrophobicContact CD1-CG1 4Å; F64-V81 HydrophobicContact CD1-CG2 3.89Å; F64-V81 HydrophobicContact CD2-CG2 3.91Å; F64-V81 HydrophobicContact CE1-CB 4.33Å; F64-V81 HydrophobicContact CE1-CG1 4.31Å; F64-V81 HydrophobicContact CE1-CG2 4.14Å; F64-V81 HydrophobicContact CE2-CG2 4.18Å; F64-V81 HydrophobicContact CG-CG2 3.76Å; F64-V81 HydrophobicContact CZ-CG2 4.29Å
65T98.3Very high95.6Very high10 Ų1038.1 Ų38.16%0.06121%0.205CC..  trans-104.8127.3-179.6-57.90000110.8D18 D41 M42 K67D18-T65 PolarHBondContact O-N 3.06Å; D41-T65 HydrophobicContact CB-CG2 3.7Å; M42-T65 WeakPolarHBondContact CB-OG1 3.44Å; M42-T65 VanDerWaalsContact CG-OG1 3.24Å; M42-T65 WeakPolarHBondContact CG-OG1 3.28Å; M42-T65 PolarHBondContact N-OG1 2.99Å; T65-K67 HydrophobicContact CG2-CD 4.47Å; T65-K67 HydrophobicContact CG2-CG 3.76Å
66C96.6Very high95.6Very high3 Ų344.1 Ų44.12%0.0223%0.231CC..  trans-126.597.1169.4-175.60000109.1H36 F64 G68 H73 R74 A77H36-C66 PolarHBondContact CE1-O 3.19Å; H36-C66 PolarHBondContact NE2-N 3.4Å; H36-C66 PolarHBondContact NE2-O 2.88Å; F64-C66 HydrophobicContact CE2-CB 4.15Å; C66-G68 PolarHBondContact O-N 3.01Å; C66-H73 VanDerWaalsContact SG-CD2 3.59Å; C66-R74 HydrophobicContact CB-CG 4.38Å; C66-R74 VanDerWaalsContact O-CZ 3.24Å; C66-R74 PolarHBondContact O-NH1 2.83Å; C66-R74 PolarHBondContact O-NH2 3.43Å; C66-A77 HydrophobicContact CB-CB 4.13Å; C66-A77 VanDerWaalsContact SG-CB 3.54Å
67K87.8Confident95.6Very high163 Ų16341.8 Ų41.871%0.70922%0.215SC*.  trans-77.6107.9179.8-61.5-172.9-179.9177.60109.5T65T65-K67 HydrophobicContact CG2-CD 4.47Å; T65-K67 HydrophobicContact CG2-CG 3.76Å
68G88Confident95.8Very high30 Ų3037.9 Ų37.931%0.30920%0.197SC..  trans166.415217700000111.3C66 R74C66-G68 PolarHBondContact O-N 3.01Å; G68-R74 VanDerWaalsContact O-CZ 3.23Å; G68-R74 PolarHBondContact O-NE 2.87Å; G68-R74 PolarHBondContact O-NH2 2.83Å
69L91.5Very high95.9Very high126 Ų12641.2 Ų41.266%0.6621%0.208SC*.SBendtrans-96.5-10.5177.6-63.7179.1000113.1A38 I71 M103A38-L69 HydrophobicContact CB-CD2 3.77Å; A38-L69 WeakPolarHBondContact O-CD2 3.44Å; L69-I71 PolarHBondContact O-N 3.33Å; L69-M103 HydrophobicContact CD2-CE 4.49Å
70N95.9Very high95.9Very high95 Ų9542.1 Ų42.151%0.50822%0.217SC..  trans-74.7118.9179.4-176.9-64.4000110.3V72 H73 R74N70-V72 WeakPolarHBondContact OD1-CA 3.33Å; N70-V72 VanDerWaalsContact OD1-CB 3.31Å; N70-V72 WeakPolarHBondContact OD1-CB 3.43Å; N70-V72 PolarHBondContact OD1-N 3.2Å; N70-H73 HydrophobicContact CB-CB 4.04Å; N70-H73 PolarHBondContact O-N 3.45Å; N70-H73 PolarHBondContact OD1-N 2.95Å; N70-R74 PolarHBondContact O-N 3.39Å
71I95.5Very high95.8Very high43 Ų4342.1 Ų42.122%0.22122%0.217CC..Hα-helixtrans-65.5-38.9-178-170.460.3000112.4L69 H73 R74 I75 M103 R106 A107L69-I71 PolarHBondContact O-N 3.33Å; I71-H73 VanDerWaalsContact C-N 3.31Å; I71-H73 PolarHBondContact O-N 3.42Å; I71-R74 PolarHBondContact O-N 3.48Å; I71-R74 VanDerWaalsContact O-N 3.13Å; I71-I75 HydrophobicContact CG1-CD1 4.01Å; I71-I75 HydrophobicContact CG1-CG1 4.45Å; I71-I75 WeakPolarHBondContact O-CD1 3.48Å; I71-I75 VanDerWaalsContact O-CG1 3.27Å; I71-I75 WeakPolarHBondContact O-CG1 3.06Å; I71-I75 PolarHBondContact O-N 3.48Å; I71-M103 HydrophobicContact CD1-CG 4.14Å; I71-R106 HydrophobicContact CD1-CB 4.03Å; I71-A107 HydrophobicContact CD1-CB 4.07Å
72V95.6Very high95.8Very high79 Ų7943 Ų4348%0.47922%0.221SC..Hα-helixtrans-61.7-40.8177.7179.70000111N70 I75 K76N70-V72 WeakPolarHBondContact OD1-CA 3.33Å; N70-V72 VanDerWaalsContact OD1-CB 3.31Å; N70-V72 WeakPolarHBondContact OD1-CB 3.43Å; N70-V72 PolarHBondContact OD1-N 3.2Å; V72-I75 PolarHBondContact O-N 2.89Å; V72-K76 WeakPolarHBondContact O-CG 3.45Å; V72-K76 PolarHBondContact O-N 3.47Å; V72-K76 VanDerWaalsContact O-N 3.07Å
73H95.6Very high95.6Very high63 Ų6347 Ų4729%0.29224%0.242SC..Hα-helixtrans-62.6-43.6174.6-177.976.3000112F12 C66 N70 I71 K76 A77F12-H73 AromaticContact CE1-CE1 3.29Å; F12-H73 WeakPolarHBondContact CE1-CE1 3.1Å; F12-H73 AromaticContact CE1-NE2 3.57Å; F12-H73 AromaticContact CZ-CE1 3.56Å; F12-H73 AromaticContact CZ-ND1 3.81Å; C66-H73 VanDerWaalsContact SG-CD2 3.59Å; N70-H73 HydrophobicContact CB-CB 4.04Å; N70-H73 PolarHBondContact O-N 3.45Å; N70-H73 PolarHBondContact OD1-N 2.95Å; I71-H73 VanDerWaalsContact C-N 3.31Å; I71-H73 PolarHBondContact O-N 3.42Å; H73-K76 PolarHBondContact O-N 2.94Å; H73-A77 PolarHBondContact O-N 3.02Å
74R97.4Very high95.4Very high5 Ų549.8 Ų49.82%0.01925%0.253CS..Hα-helixtrans-64.9-38.6176.9-73-177.3173.1-1084.9112.7H36 G37 A38 C66 G68 N70 I71 A77 Y78 A107H36-R74 PolarHBondContact O-NH1 3.19Å; G37-R74 VanDerWaalsContact O-CZ 3.29Å; G37-R74 PolarHBondContact O-NH1 3.04Å; G37-R74 VanDerWaalsContact O-NH1 3.09Å; G37-R74 PolarHBondContact O-NH2 3.18Å; A38-R74 PolarHBondContact O-NH2 3.38Å; C66-R74 HydrophobicContact CB-CG 4.38Å; C66-R74 VanDerWaalsContact O-CZ 3.24Å; C66-R74 PolarHBondContact O-NH1 2.83Å; C66-R74 PolarHBondContact O-NH2 3.43Å; G68-R74 VanDerWaalsContact O-CZ 3.23Å; G68-R74 PolarHBondContact O-NE 2.87Å; G68-R74 PolarHBondContact O-NH2 2.83Å; N70-R74 PolarHBondContact O-N 3.39Å; I71-R74 PolarHBondContact O-N 3.48Å; I71-R74 VanDerWaalsContact O-N 3.13Å; R74-A77 PolarHBondContact O-N 2.79Å; R74-Y78 VanDerWaalsContact O-CB 3.31Å; R74-Y78 WeakPolarHBondContact O-CB 3.39Å; R74-Y78 PolarHBondContact O-N 3.3Å; R74-A107 HydrophobicContact CB-CB 4.01Å
75I96.4Very high95.2Very high25 Ų2549.8 Ų49.813%0.12825%0.254CS..Hα-helixtrans-60.3-48.5174.3-67.9158.9000110I71 V72 A77 Y78 K79 A107 S110 V111I71-I75 HydrophobicContact CG1-CD1 4.01Å; I71-I75 HydrophobicContact CG1-CG1 4.45Å; I71-I75 WeakPolarHBondContact O-CD1 3.48Å; I71-I75 VanDerWaalsContact O-CG1 3.27Å; I71-I75 WeakPolarHBondContact O-CG1 3.06Å; I71-I75 PolarHBondContact O-N 3.48Å; V72-I75 PolarHBondContact O-N 2.89Å; I75-A77 PolarHBondContact O-N 3.01Å; I75-Y78 PolarHBondContact O-N 2.99Å; I75-K79 WeakPolarHBondContact O-CG 3.27Å; I75-K79 PolarHBondContact O-N 3.17Å; I75-A107 HydrophobicContact CG1-CB 4.45Å; I75-S110 WeakPolarHBondContact CD1-OG 3.24Å; I75-V111 HydrophobicContact CG2-CG2 4.13Å
76K95.9Very high95Very high127 Ų12752.6 Ų52.655%0.55227%0.265SS*.Hα-helixtrans-60.7-43.7177-67-179.7178.7-173.80112.2F12 V72 H73 K79 S80F12-K76 HydrophobicContact CE2-CB 3.72Å; F12-K76 HydrophobicContact CZ-CB 4.08Å; V72-K76 WeakPolarHBondContact O-CG 3.45Å; V72-K76 PolarHBondContact O-N 3.47Å; V72-K76 VanDerWaalsContact O-N 3.07Å; H73-K76 PolarHBondContact O-N 2.94Å; K76-K79 PolarHBondContact O-N 3.3Å; K76-S80 PolarHBondContact O-N 2.98Å; K76-S80 PolarHBondContact O-OG 3.36Å
77A97.1Very high94.8Very high0 Ų057.1 Ų57.10%029%0.292CS..Hα-helixtrans-61-45.3176.700000111.7F12 L17 F64 C66 H73 R74 I75 S80 V81F12-A77 HydrophobicContact CD1-CB 4.08Å; F12-A77 HydrophobicContact CD2-CB 4.48Å; F12-A77 HydrophobicContact CE1-CB 3.67Å; F12-A77 HydrophobicContact CE2-CB 4.16Å; F12-A77 HydrophobicContact CG-CB 4.45Å; F12-A77 HydrophobicContact CZ-CB 3.73Å; L17-A77 HydrophobicContact CD1-CB 3.9Å; L17-A77 HydrophobicContact CD2-CB 4.13Å; F64-A77 HydrophobicContact CE2-CB 4.5Å; C66-A77 HydrophobicContact CB-CB 4.13Å; C66-A77 VanDerWaalsContact SG-CB 3.54Å; H73-A77 PolarHBondContact O-N 3.02Å; R74-A77 PolarHBondContact O-N 2.79Å; I75-A77 PolarHBondContact O-N 3.01Å; A77-S80 WeakPolarHBondContact O-CB 3.36Å; A77-S80 PolarHBondContact O-N 2.9Å; A77-V81 PolarHBondContact O-N 3.4Å
78Y97.7Very high95Very high0 Ų050.3 Ų50.30%027%0.266CS..Hα-helixtrans-63.1-44.9177.8-158.4-48.7000110.9I33 T35 F64 R74 I75 S80 V81 L82 L98 G99 A107 A108 V111I33-Y78 HydrophobicContact CB-CE1 4.02Å; I33-Y78 WeakPolarHBondContact CB-OH 3.37Å; I33-Y78 HydrophobicContact CD1-CE1 4.26Å; I33-Y78 HydrophobicContact CG2-CD1 4.39Å; I33-Y78 HydrophobicContact CG2-CE1 3.55Å; I33-Y78 HydrophobicContact CG2-CE2 4.43Å; I33-Y78 WeakPolarHBondContact CG2-OH 3.3Å; I33-Y78 PolarHBondContact O-OH 3.11Å; T35-Y78 HydrophobicContact CG2-CD2 3.95Å; T35-Y78 HydrophobicContact CG2-CE2 3.89Å; F64-Y78 AromaticContact CE1-CD2 3.95Å; F64-Y78 HydrophobicContact CE1-CD2 3.95Å; F64-Y78 HydrophobicContact CE1-CE2 4.07Å; F64-Y78 HydrophobicContact CE1-CG 4.15Å; F64-Y78 HydrophobicContact CZ-CD1 4.49Å; F64-Y78 AromaticContact CZ-CD2 3.62Å; F64-Y78 HydrophobicContact CZ-CD2 3.62Å; F64-Y78 HydrophobicContact CZ-CE2 4.19Å; F64-Y78 AromaticContact CZ-CG 3.76Å; F64-Y78 HydrophobicContact CZ-CG 3.76Å; R74-Y78 VanDerWaalsContact O-CB 3.31Å; R74-Y78 WeakPolarHBondContact O-CB 3.39Å; R74-Y78 PolarHBondContact O-N 3.3Å; I75-Y78 PolarHBondContact O-N 2.99Å; Y78-S80 VanDerWaalsContact C-N 3.27Å; Y78-S80 PolarHBondContact O-N 2.8Å; Y78-V81 WeakPolarHBondContact O-CB 3.4Å; Y78-V81 PolarHBondContact O-N 2.94Å; Y78-L82 PolarHBondContact O-N 2.95Å; Y78-L98 HydrophobicContact CE1-CB 4.27Å; Y78-L98 HydrophobicContact CE1-CD1 4.43Å; Y78-L98 HydrophobicContact CE1-CD2 3.98Å; Y78-L98 HydrophobicContact CE1-CG 4.44Å; Y78-L98 VanDerWaalsContact OH-CA 3.29Å; Y78-L98 WeakPolarHBondContact OH-CA 3.49Å; Y78-L98 WeakPolarHBondContact OH-CB 3.24Å; Y78-G99 PolarHBondContact OH-N 3.18Å; Y78-G99 PolarHBondContact OH-O 3.46Å; Y78-A107 HydrophobicContact CD2-CB 4.35Å; Y78-A108 HydrophobicContact CD2-CB 4.36Å; Y78-A108 HydrophobicContact CE2-CB 3.64Å; Y78-V111 HydrophobicContact CD1-CG1 4.37Å; Y78-V111 HydrophobicContact CD1-CG2 3.98Å; Y78-V111 HydrophobicContact CG-CG2 3.84Å
79K96Very high95.1Very high79 Ų7952 Ų5234%0.34328%0.283SS..Hα-helixtrans-55.8-40.1173.7-74.6-166.7170.7-160.20112.1I75 K76 V81 L82 N83 V111 H114I75-K79 WeakPolarHBondContact O-CG 3.27Å; I75-K79 PolarHBondContact O-N 3.17Å; K76-K79 PolarHBondContact O-N 3.3Å; K79-V81 PolarHBondContact O-N 3.5Å; K79-L82 PolarHBondContact O-N 3.43Å; K79-N83 WeakPolarHBondContact O-CB 3.13Å; K79-N83 PolarHBondContact O-N 3.37Å; K79-V111 HydrophobicContact CG-CG1 4.13Å; K79-V111 HydrophobicContact CG-CG2 4.05Å; K79-H114 PolarHBondContact NZ-O 3.42Å
80S96.3Very high95.1Very high33 Ų3352.1 Ų52.123%0.23128%0.28CS..Hα-helixtrans-62.9-39175-63.20000113.1F12 K76 A77 Y78 Y84F12-S80 WeakPolarHBondContact CD2-OG 3.34Å; K76-S80 PolarHBondContact O-N 2.98Å; K76-S80 PolarHBondContact O-OG 3.36Å; A77-S80 WeakPolarHBondContact O-CB 3.36Å; A77-S80 PolarHBondContact O-N 2.9Å; Y78-S80 VanDerWaalsContact C-N 3.27Å; Y78-S80 PolarHBondContact O-N 2.8Å; S80-Y84 WeakPolarHBondContact O-CB 3.43Å; S80-Y84 PolarHBondContact O-N 3.29Å
81V97.5Very high94.9Very high0 Ų047.9 Ų47.90%026%0.257CS..Hα-helixtrans-67.8-43.1175.5176.90000111.7I10 L17 I33 L62 F64 A77 Y78 K79 Y84 L85I10-V81 HydrophobicContact CD1-CB 4.36Å; I10-V81 HydrophobicContact CD1-CG1 4.03Å; I10-V81 HydrophobicContact CD1-CG2 3.88Å; I10-V81 HydrophobicContact CG2-CG2 4.35Å; L17-V81 HydrophobicContact CD1-CG2 3.79Å; I33-V81 HydrophobicContact CD1-CG1 4.31Å; I33-V81 HydrophobicContact CG1-CG1 4.48Å; I33-V81 HydrophobicContact CG2-CG1 3.77Å; L62-V81 HydrophobicContact CD1-CG1 4.18Å; L62-V81 HydrophobicContact CD2-CG1 3.42Å; L62-V81 VanDerWaalsContact CD2-CG1 3.42Å; L62-V81 HydrophobicContact CG-CG1 4.44Å; F64-V81 HydrophobicContact CB-CG2 4.27Å; F64-V81 HydrophobicContact CD1-CB 4.31Å; F64-V81 HydrophobicContact CD1-CG1 4Å; F64-V81 HydrophobicContact CD1-CG2 3.89Å; F64-V81 HydrophobicContact CD2-CG2 3.91Å; F64-V81 HydrophobicContact CE1-CB 4.33Å; F64-V81 HydrophobicContact CE1-CG1 4.31Å; F64-V81 HydrophobicContact CE1-CG2 4.14Å; F64-V81 HydrophobicContact CE2-CG2 4.18Å; F64-V81 HydrophobicContact CG-CG2 3.76Å; F64-V81 HydrophobicContact CZ-CG2 4.29Å; A77-V81 PolarHBondContact O-N 3.4Å; Y78-V81 WeakPolarHBondContact O-CB 3.4Å; Y78-V81 PolarHBondContact O-N 2.94Å; K79-V81 PolarHBondContact O-N 3.5Å; V81-Y84 PolarHBondContact O-N 3.36Å; V81-L85 PolarHBondContact O-N 3.04Å; V81-L85 VanDerWaalsContact O-N 3.13Å
82L96.2Very high94.7Very high18 Ų1853.9 Ų53.99%0.09428%0.282CS..Hα-helixtrans-59.3-49.5175.2176.658.4000111I33 Y78 K79 Y84 L85 K86 V96 L98 V111 F123 V124I33-L82 HydrophobicContact CD1-CB 4.21Å; I33-L82 HydrophobicContact CD1-CD1 4.02Å; Y78-L82 PolarHBondContact O-N 2.95Å; K79-L82 PolarHBondContact O-N 3.43Å; L82-Y84 VanDerWaalsContact C-N 3.32Å; L82-Y84 PolarHBondContact O-N 3.24Å; L82-L85 PolarHBondContact O-N 3.06Å; L82-K86 WeakPolarHBondContact O-CB 3.47Å; L82-K86 PolarHBondContact O-N 3.2Å; L82-V96 HydrophobicContact CD1-CG2 3.52Å; L82-L98 HydrophobicContact CD1-CD2 4.05Å; L82-V111 HydrophobicContact CD2-CG1 3.88Å; L82-F123 HydrophobicContact CD1-CD1 3.99Å; L82-F123 HydrophobicContact CD1-CE1 4Å; L82-V124 HydrophobicContact CD1-CG2 3.97Å; L82-V124 HydrophobicContact CD2-CG2 4.04Å
83N94.2Very high94.7Very high84 Ų8451.1 Ų51.145%0.44926%0.264SS..Hα-helixtrans-62.8-38.1178.6-173.258.5000112.5K79 L85 K86 T87K79-N83 WeakPolarHBondContact O-CB 3.13Å; K79-N83 PolarHBondContact O-N 3.37Å; N83-L85 PolarHBondContact O-N 3.21Å; N83-K86 PolarHBondContact O-N 3.5Å; N83-T87 WeakPolarHBondContact O-CB 3.45Å; N83-T87 PolarHBondContact O-N 3.09Å; N83-T87 PolarHBondContact O-OG1 3.47Å
84Y95.7Very high94.5Very high61 Ų6151.3 Ų51.324%0.23928%0.276CS..Hα-helixtrans-59-46.2175174.4-93.3000111.7L8 I10 S80 V81 L82 S88 Y91L8-Y84 HydrophobicContact CD1-CE1 4.26Å; I10-Y84 HydrophobicContact CD1-CD1 4.12Å; I10-Y84 HydrophobicContact CD1-CG 4.49Å; I10-Y84 HydrophobicContact CG1-CD1 4.15Å; I10-Y84 HydrophobicContact CG1-CE1 4.37Å; I10-Y84 HydrophobicContact CG1-CG 4.23Å; I10-Y84 HydrophobicContact CG2-CD2 4.24Å; I10-Y84 HydrophobicContact CG2-CG 3.98Å; S80-Y84 WeakPolarHBondContact O-CB 3.43Å; S80-Y84 PolarHBondContact O-N 3.29Å; V81-Y84 PolarHBondContact O-N 3.36Å; L82-Y84 VanDerWaalsContact C-N 3.32Å; L82-Y84 PolarHBondContact O-N 3.24Å; Y84-S88 WeakPolarHBondContact O-CA 3.33Å; Y84-S88 WeakPolarHBondContact O-CB 3.36Å; Y84-S88 PolarHBondContact O-N 3.02Å; Y84-S88 VanDerWaalsContact O-N 3.08Å; Y84-Y91 HydrophobicContact CE1-CE2 4.45Å
85L95.3Very high94.4Very high2 Ų251 Ų511%0.0128%0.276CS..Hα-helixtrans-70.2-38.6177.1-70.2-174.7000112.7I33 F60 L62 V81 L82 N83 T87 S88 Y91 L93 V96I33-L85 HydrophobicContact CD1-CD1 3.89Å; I33-L85 HydrophobicContact CG1-CD1 3.64Å; F60-L85 HydrophobicContact CD1-CD1 4.49Å; F60-L85 HydrophobicContact CE1-CD1 3.87Å; F60-L85 HydrophobicContact CE1-CD2 3.64Å; F60-L85 HydrophobicContact CE1-CG 4.45Å; F60-L85 HydrophobicContact CZ-CD2 3.87Å; L62-L85 HydrophobicContact CB-CD1 4.38Å; L62-L85 HydrophobicContact CD1-CD1 4.06Å; L62-L85 HydrophobicContact CD1-CD2 3.82Å; L62-L85 HydrophobicContact CD1-CG 4.05Å; V81-L85 PolarHBondContact O-N 3.04Å; V81-L85 VanDerWaalsContact O-N 3.13Å; L82-L85 PolarHBondContact O-N 3.06Å; N83-L85 PolarHBondContact O-N 3.21Å; L85-T87 VanDerWaalsContact C-N 3.33Å; L85-T87 PolarHBondContact O-N 3.27Å; L85-S88 PolarHBondContact O-N 3.39Å; L85-Y91 HydrophobicContact CD2-CD2 4.04Å; L85-L93 HydrophobicContact CD1-CD1 4.3Å; L85-V96 HydrophobicContact CD1-CG1 4.32Å
86K92.7Very high94.4Very high69 Ų6949.9 Ų49.930%0.327%0.269SS..Hα-helixtrans-63.5-37.3179.3-173-178.5173.8-170.20112.8L82 N83 D119 F123L82-K86 WeakPolarHBondContact O-CB 3.47Å; L82-K86 PolarHBondContact O-N 3.2Å; N83-K86 PolarHBondContact O-N 3.5Å; K86-D119 WeakPolarHBondContact CE-O 3.09Å; K86-D119 PolarHBondContact NZ-O 3.4Å; K86-D119 IonicContact NZ-OD1 2.68Å; K86-D119 PolarHBondContact NZ-OD1 2.87Å; K86-F123 HydrophobicContact CB-CD1 3.95Å; K86-F123 HydrophobicContact CB-CE1 3.66Å; K86-F123 HydrophobicContact CB-CZ 4.16Å; K86-F123 HydrophobicContact CD-CD1 4.29Å; K86-F123 HydrophobicContact CG-CD1 3.93Å; K86-F123 HydrophobicContact CG-CE1 4.09Å; K86-F123 HydrophobicContact CG-CG 4.23Å
87T92.5Very high94.5Very high97 Ų9743.8 Ų43.860%0.59524%0.243SC*.THydrogen-bonded Turntrans-98.62.5-178.259.50000113.5N83 L85 G89N83-T87 WeakPolarHBondContact O-CB 3.45Å; N83-T87 PolarHBondContact O-N 3.09Å; N83-T87 PolarHBondContact O-OG1 3.47Å; L85-T87 VanDerWaalsContact C-N 3.33Å; L85-T87 PolarHBondContact O-N 3.27Å; T87-G89 PolarHBondContact O-N 3.26Å
88S91.9Very high94.6Very high21 Ų2143.8 Ų43.815%0.14724%0.243CC..  trans-72.1122.7-175.9151.50000111.3Y84 L85 E90 Y91Y84-S88 WeakPolarHBondContact O-CA 3.33Å; Y84-S88 WeakPolarHBondContact O-CB 3.36Å; Y84-S88 PolarHBondContact O-N 3.02Å; Y84-S88 VanDerWaalsContact O-N 3.08Å; L85-S88 PolarHBondContact O-N 3.39Å; S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 PolarHBondContact OG-N 2.84Å; S88-Y91 PolarHBondContact OG-N 3.03Å
89G89.7Confident94.6Very high66 Ų6643.8 Ų43.868%0.6824%0.243SC*.SBendtrans-73.8-20.4169.200000114T87T87-G89 PolarHBondContact O-N 3.26Å
90E91.3Very high94.7Very high128 Ų12840 Ų4060%0.59823%0.227SC*.SBendtrans-81.6-52.2-177.2-172.5-178154.700111.7S88S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 PolarHBondContact OG-N 2.84Å
91Y92.9Very high94.8Very high6 Ų639.8 Ų39.82%0.02422%0.221CC..SBendtrans-98.288.8177.5-47.6-55.9000111.5L8 V23 L28 F60 Y84 L85 S88 L93L8-Y91 HydrophobicContact CD1-CE2 4.1Å; V23-Y91 HydrophobicContact CG2-CE1 4.09Å; L28-Y91 HydrophobicContact CD1-CD1 4.11Å; F60-Y91 HydrophobicContact CD2-CD1 4.22Å; F60-Y91 HydrophobicContact CD2-CG 4.47Å; F60-Y91 AromaticContact CE2-CD1 3.55Å; F60-Y91 HydrophobicContact CE2-CD1 3.55Å; F60-Y91 HydrophobicContact CE2-CD2 4.04Å; F60-Y91 AromaticContact CE2-CE1 3.82Å; F60-Y91 HydrophobicContact CE2-CE1 3.82Å; F60-Y91 HydrophobicContact CE2-CE2 4.26Å; F60-Y91 AromaticContact CE2-CG 3.68Å; F60-Y91 HydrophobicContact CE2-CG 3.68Å; F60-Y91 HydrophobicContact CZ-CD1 4.23Å; F60-Y91 AromaticContact CZ-CD2 3.87Å; F60-Y91 HydrophobicContact CZ-CD2 3.87Å; F60-Y91 HydrophobicContact CZ-CE2 4.15Å; F60-Y91 AromaticContact CZ-CG 3.91Å; F60-Y91 HydrophobicContact CZ-CG 3.91Å; Y84-Y91 HydrophobicContact CE1-CE2 4.45Å; L85-Y91 HydrophobicContact CD2-CD2 4.04Å; S88-Y91 PolarHBondContact OG-N 3.03Å; Y91-L93 PolarHBondContact O-N 3.4Å; Y91-L93 VanDerWaalsContact O-N 3.15Å
92K91.8Very high94.8Very high168 Ų16840.4 Ų40.473%0.7323%0.225SC*.  trans-79.294.3174.9-63.7-174.8-179.7-178.10110.3
93L93.8Very high94.9Very high21 Ų2141 Ų4111%0.1123%0.227CC..  trans-101.2140.1178.7-58.5171.9000110.1L28 F60 L85 Y91 G95 V96 F123L28-L93 HydrophobicContact CB-CD2 3.95Å; F60-L93 HydrophobicContact CB-CD2 3.82Å; F60-L93 HydrophobicContact CD1-CD1 3.96Å; F60-L93 HydrophobicContact CE1-CD1 4.4Å; F60-L93 HydrophobicContact CG-CD1 4.42Å; F60-L93 HydrophobicContact CG-CD2 4.24Å; L85-L93 HydrophobicContact CD1-CD1 4.3Å; Y91-L93 PolarHBondContact O-N 3.4Å; Y91-L93 VanDerWaalsContact O-N 3.15Å; L93-G95 VanDerWaalsContact C-N 3.27Å; L93-V96 HydrophobicContact CD1-CG1 3.83Å; L93-F123 HydrophobicContact CB-CE2 4.36Å; L93-F123 HydrophobicContact CB-CZ 4.41Å
94A92.3Very high95Very high67 Ų6737 Ų3755%0.55421%0.206SC*.SBendtrans-74.3-21170.800000112.3T29 Y30T29-A94 WeakPolarHBondContact O-CB 3.17Å; T29-A94 PolarHBondContact O-N 3.04Å; Y30-A94 HydrophobicContact CE1-CB 4.13Å
95G94.5Very high95.1Very high0 Ų034 Ų340%020%0.195CC..EExtended strand (participates in β ladder)trans176.9173.1174.100000112.1Y30 G31 L93 F123Y30-G95 WeakPolarHBondContact CA-O 3.41Å; G31-G95 PolarHBondContact N-O 3.42Å; L93-G95 VanDerWaalsContact C-N 3.27Å; G95-F123 CarbonylContact C-O 3.59Å; G95-F123 WeakPolarHBondContact CA-O 3.24Å
96V97Very high95.3Very high0 Ų036.2 Ų36.20%020%0.203CC..EExtended strand (participates in β ladder)trans-132.4146.6-179.5-620000113G31 I33 L82 L85 L93 L98 F123 V124 R125G31-V96 CarbonylContact O-C 3.57Å; G31-V96 WeakPolarHBondContact O-CA 3.44Å; I33-V96 HydrophobicContact CD1-CG2 4.34Å; L82-V96 HydrophobicContact CD1-CG2 3.52Å; L85-V96 HydrophobicContact CD1-CG1 4.32Å; L93-V96 HydrophobicContact CD1-CG1 3.83Å; V96-L98 HydrophobicContact CG2-CD2 3.96Å; V96-F123 HydrophobicContact CB-CE1 4.35Å; V96-F123 HydrophobicContact CG1-CE1 3.79Å; V96-F123 HydrophobicContact CG1-CZ 3.77Å; V96-F123 HydrophobicContact CG2-CD1 3.87Å; V96-F123 HydrophobicContact CG2-CE1 3.66Å; V96-F123 HydrophobicContact CG2-CZ 4.42Å; V96-F123 PolarHBondContact N-O 3.32Å; V96-V124 HydrophobicContact CG2-CG2 4.14Å; V96-V124 CarbonylContact O-C 3.37Å; V96-V124 WeakPolarHBondContact O-CA 3.14Å; V96-R125 PolarHBondContact O-N 2.95Å
97F98.1Very high95.5Very high0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-94.5134.7163.5-63.9-94000109.3G31 I32 I33 R125 G126 I128 W215 I216 I219 T220G31-F97 PolarHBondContact O-N 2.9Å; I32-F97 WeakPolarHBondContact CA-O 3.28Å; I32-F97 HydrophobicContact CG1-CB 4.16Å; I32-F97 HydrophobicContact CG1-CD2 4.42Å; I33-F97 PolarHBondContact N-O 3.19Å; F97-R125 HydrophobicContact CD1-CB 4.36Å; F97-R125 HydrophobicContact CE1-CB 3.92Å; F97-R125 HydrophobicContact CE2-CB 4.04Å; F97-R125 HydrophobicContact CZ-CB 3.74Å; F97-G126 WeakPolarHBondContact CA-O 3.44Å; F97-I128 HydrophobicContact CB-CD1 4.01Å; F97-W215 HydrophobicContact CD1-CH2 4.04Å; F97-W215 AromaticContact CD1-CZ3 3.62Å; F97-W215 HydrophobicContact CD1-CZ3 3.62Å; F97-W215 HydrophobicContact CE1-CH2 4.16Å; F97-W215 AromaticContact CE1-CZ3 3.85Å; F97-W215 HydrophobicContact CE1-CZ3 3.85Å; F97-I216 HydrophobicContact CD1-CG1 4.37Å; F97-I216 HydrophobicContact CD2-CG1 4.39Å; F97-I216 HydrophobicContact CD2-CG2 4.11Å; F97-I216 HydrophobicContact CE1-CG1 4.43Å; F97-I216 HydrophobicContact CE2-CG1 4.48Å; F97-I216 HydrophobicContact CE2-CG2 3.64Å; F97-I216 HydrophobicContact CG-CG1 4.35Å; F97-I216 HydrophobicContact CZ-CB 4.47Å; F97-I216 HydrophobicContact CZ-CG1 4.49Å; F97-I216 HydrophobicContact CZ-CG2 3.95Å; F97-I219 HydrophobicContact CE1-CB 4.21Å; F97-I219 HydrophobicContact CE1-CG1 4.49Å; F97-I219 HydrophobicContact CE1-CG2 4.07Å; F97-I219 HydrophobicContact CZ-CB 4.15Å; F97-I219 HydrophobicContact CZ-CG2 4Å; F97-T220 HydrophobicContact CE2-CG2 3.82Å; F97-T220 HydrophobicContact CZ-CG2 3.83Å
98L98.5Very high95.8Very high0 Ų028.4 Ų28.40%016%0.16CC..EExtended strand (participates in β ladder)trans-91.3139.2173.1-46.6-169.9000108.6I33 Y78 L82 V96 A108 V111 M112 V124 G126 L127 I128I33-L98 HydrophobicContact CD1-CD2 4.06Å; Y78-L98 HydrophobicContact CE1-CB 4.27Å; Y78-L98 HydrophobicContact CE1-CD1 4.43Å; Y78-L98 HydrophobicContact CE1-CD2 3.98Å; Y78-L98 HydrophobicContact CE1-CG 4.44Å; Y78-L98 VanDerWaalsContact OH-CA 3.29Å; Y78-L98 WeakPolarHBondContact OH-CA 3.49Å; Y78-L98 WeakPolarHBondContact OH-CB 3.24Å; L82-L98 HydrophobicContact CD1-CD2 4.05Å; V96-L98 HydrophobicContact CG2-CD2 3.96Å; L98-A108 HydrophobicContact CB-CB 4.09Å; L98-V111 HydrophobicContact CD1-CB 4.19Å; L98-V111 HydrophobicContact CD1-CG1 3.76Å; L98-M112 HydrophobicContact CB-CE 4.31Å; L98-M112 HydrophobicContact CD1-CB 4.14Å; L98-M112 HydrophobicContact CD1-CE 4.11Å; L98-M112 HydrophobicContact CG-CE 4.04Å; L98-V124 HydrophobicContact CD1-CG1 4Å; L98-V124 HydrophobicContact CD1-CG2 4.47Å; L98-V124 HydrophobicContact CD2-CG1 4.3Å; L98-V124 HydrophobicContact CD2-CG2 4.21Å; L98-V124 HydrophobicContact CG-CG1 3.78Å; L98-V124 HydrophobicContact CG-CG2 4.47Å; L98-G126 PolarHBondContact N-O 2.88Å; L98-L127 HydrophobicContact CB-CD1 4.22Å; L98-L127 CarbonylContact O-C 3.6Å; L98-L127 WeakPolarHBondContact O-CA 3.3Å; L98-I128 PolarHBondContact O-N 2.59Å
99G98.6Very high96Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-157.3163.717900000114I33 L34 T35 Y78 I128I33-G99 WeakPolarHBondContact O-CA 3.28Å; I33-G99 PolarHBondContact O-N 3.05Å; L34-G99 WeakPolarHBondContact CA-O 3.44Å; T35-G99 PolarHBondContact N-O 3.42Å; Y78-G99 PolarHBondContact OH-N 3.18Å; Y78-G99 PolarHBondContact OH-O 3.46Å; G99-I128 WeakPolarHBondContact CA-O 3.27Å
100G98.2Very high96.4Very high0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-179.3174.8174.100000112.6T35 S105 I128 I130T35-G100 WeakPolarHBondContact O-CA 3.49Å; G100-S105 WeakPolarHBondContact O-CB 3.38Å; G100-I128 PolarHBondContact N-O 2.83Å; G100-I130 WeakPolarHBondContact O-CB 3.26Å; G100-I130 PolarHBondContact O-N 2.91Å
101R98.2Very high96.6Very high28 Ų2818.5 Ų18.511%0.10610%0.095CC..EExtended strand (participates in β ladder)trans-103.9135.3173.9-178.8-179.6171.1-103.6-4111.4T35 G37 H46 M103 G104 I130 H192T35-R101 PolarHBondContact O-N 3.32Å; G37-R101 WeakPolarHBondContact CA-O 3.49Å; G37-R101 PolarHBondContact N-O 3.46Å; H46-R101 WeakPolarHBondContact CE1-CD 3.01Å; H46-R101 WeakPolarHBondContact NE2-CD 3.37Å; R101-M103 PolarHBondContact O-N 2.86Å; R101-G104 WeakPolarHBondContact O-CA 3.38Å; R101-G104 PolarHBondContact O-N 3.07Å; R101-I130 CarbonylContact C-O 3.5Å; R101-I130 VanDerWaalsContact CA-O 3.27Å; R101-I130 WeakPolarHBondContact CA-O 3.28Å; R101-I130 HydrophobicContact CB-CB 4.42Å; R101-I130 HydrophobicContact CG-CG2 4.43Å; R101-H192 PolarHBondContact NH2-O 2.99Å
102S97.6Very high96.7Very high12 Ų1218.5 Ų18.58%0.08410%0.095CC..THydrogen-bonded Turntrans55.5-118.5168.7-1750000112.2G104 S105 R106 I130 S131 P133 H192S102-G104 PolarHBondContact O-N 2.86Å; S102-G104 VanDerWaalsContact O-N 3.1Å; S102-S105 PolarHBondContact N-OG 2.91Å; S102-S105 PolarHBondContact O-N 3.41Å; S102-S105 PolarHBondContact O-OG 3.47Å; S102-R106 PolarHBondContact O-N 2.85Å; S102-I130 PolarHBondContact N-O 3.26Å; S102-S131 VanDerWaalsContact CA-O 3.24Å; S102-S131 WeakPolarHBondContact CA-O 3.3Å; S102-S131 PolarHBondContact N-O 2.91Å; S102-P133 WeakPolarHBondContact O-CD 3.32Å; S102-H192 WeakPolarHBondContact CB-NE2 3.35Å; S102-H192 PolarHBondContact OG-NE2 2.86Å
103M97.4Very high96.7Very high30 Ų3011.6 Ų11.615%0.1487%0.068CC..Hα-helixtrans-56.2-27.3174.1-169.1177.5-8000113.4A38 L69 I71 R101 A107A38-M103 HydrophobicContact CB-CB 4.31Å; A38-M103 HydrophobicContact CB-CE 3.85Å; A38-M103 HydrophobicContact CB-SD 4.07Å; L69-M103 HydrophobicContact CD2-CE 4.49Å; I71-M103 HydrophobicContact CD1-CG 4.14Å; R101-M103 PolarHBondContact O-N 2.86Å; M103-A107 PolarHBondContact O-N 2.94Å
104G98.1Very high96.4Very high0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-69.1-38.2174.300000113.8T35 H36 R101 S102 A107 A108T35-G104 VanDerWaalsContact CG2-CA 3.47Å; H36-G104 WeakPolarHBondContact O-CA 3.49Å; H36-G104 PolarHBondContact O-N 2.97Å; R101-G104 WeakPolarHBondContact O-CA 3.38Å; R101-G104 PolarHBondContact O-N 3.07Å; S102-G104 PolarHBondContact O-N 2.86Å; S102-G104 VanDerWaalsContact O-N 3.1Å; G104-A107 PolarHBondContact O-N 3.3Å; G104-A108 PolarHBondContact O-N 2.85Å
105S98.1Very high95.8Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-70.3-34174.151.80000111.8G100 S102 A108 A109G100-S105 WeakPolarHBondContact O-CB 3.38Å; S102-S105 PolarHBondContact N-OG 2.91Å; S102-S105 PolarHBondContact O-N 3.41Å; S102-S105 PolarHBondContact O-OG 3.47Å; S105-A108 PolarHBondContact O-N 3.06Å; S105-A109 WeakPolarHBondContact O-CB 3.44Å; S105-A109 PolarHBondContact O-N 3.21Å
106R97.7Very high94.5Very high48 Ų4819.3 Ų19.318%0.1819%0.092CC..Hα-helixtrans-60.4-44.4169.6-70.5-175.858.9-152.50.2112.4I71 S102 A109 S110 Y132 P133 R144I71-R106 HydrophobicContact CD1-CB 4.03Å; S102-R106 PolarHBondContact O-N 2.85Å; R106-A109 PolarHBondContact O-N 3.29Å; R106-S110 WeakPolarHBondContact O-CB 3.36Å; R106-S110 PolarHBondContact O-N 2.96Å; R106-Y132 HydrophobicContact CB-CE2 4.32Å; R106-Y132 HydrophobicContact CG-CD2 4.19Å; R106-Y132 HydrophobicContact CG-CE1 4.33Å; R106-Y132 HydrophobicContact CG-CE2 3.64Å; R106-P133 HydrophobicContact CG-CG 4.05Å; R106-R144 VanDerWaalsContact NH1-CZ 3.32Å
107A97.9Very high92.7Very high1 Ų123.9 Ų23.91%0.00812%0.122CC..Hα-helixtrans-62.7-45.1176.700000110.9I71 R74 I75 Y78 M103 G104 A109 S110 V111I71-A107 HydrophobicContact CD1-CB 4.07Å; R74-A107 HydrophobicContact CB-CB 4.01Å; I75-A107 HydrophobicContact CG1-CB 4.45Å; Y78-A107 HydrophobicContact CD2-CB 4.35Å; M103-A107 PolarHBondContact O-N 2.94Å; G104-A107 PolarHBondContact O-N 3.3Å; A107-A109 PolarHBondContact O-N 3.01Å; A107-S110 PolarHBondContact O-N 3.47Å; A107-V111 WeakPolarHBondContact O-CG2 3.39Å; A107-V111 PolarHBondContact O-N 2.83Å
108A98Very high90.7Very high0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-60.1-43.8176.400000112.6Y78 L98 G104 S105 V111 M112 L127Y78-A108 HydrophobicContact CD2-CB 4.36Å; Y78-A108 HydrophobicContact CE2-CB 3.64Å; L98-A108 HydrophobicContact CB-CB 4.09Å; G104-A108 PolarHBondContact O-N 2.85Å; S105-A108 PolarHBondContact O-N 3.06Å; A108-V111 PolarHBondContact O-N 2.77Å; A108-M112 PolarHBondContact O-N 3.28Å; A108-L127 HydrophobicContact CB-CD1 3.53Å
109A97.7Very high88.6Confident0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-60.7-47176.600000111.8S105 R106 A107 V111 M112 C113 L127 Y132 L148S105-A109 WeakPolarHBondContact O-CB 3.44Å; S105-A109 PolarHBondContact O-N 3.21Å; R106-A109 PolarHBondContact O-N 3.29Å; A107-A109 PolarHBondContact O-N 3.01Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 3.1Å; A109-M112 PolarHBondContact O-N 3.02Å; A109-C113 WeakPolarHBondContact O-CB 3.34Å; A109-C113 PolarHBondContact O-N 3.27Å; A109-L127 HydrophobicContact CB-CD2 3.7Å; A109-Y132 HydrophobicContact CB-CE2 4.13Å; A109-L148 HydrophobicContact CB-CD2 4.18Å
110S96.8Very high86.5Confident7 Ų737.5 Ų37.55%0.04921%0.207CC..Hα-helixtrans-68.5-32.9179.2-172.10000112.5I75 R106 A107 H114 D147I75-S110 WeakPolarHBondContact CD1-OG 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.36Å; R106-S110 PolarHBondContact O-N 2.96Å; A107-S110 PolarHBondContact O-N 3.47Å; S110-H114 WeakPolarHBondContact O-CB 3.43Å; S110-H114 PolarHBondContact O-CD2 2.81Å; S110-H114 PolarHBondContact O-N 2.86Å; S110-D147 WeakPolarHBondContact CB-OD2 3.48Å; S110-D147 PolarHBondContact OG-OD2 3.06Å
111V95.9Very high84.8Confident1 Ų140.7 Ų40.71%0.00622%0.224CC..Hα-helixtrans-59.9-51.3170.8170.60000110.2I75 Y78 K79 L82 L98 A107 A108 A109 H114 I115I75-V111 HydrophobicContact CG2-CG2 4.13Å; Y78-V111 HydrophobicContact CD1-CG1 4.37Å; Y78-V111 HydrophobicContact CD1-CG2 3.98Å; Y78-V111 HydrophobicContact CG-CG2 3.84Å; K79-V111 HydrophobicContact CG-CG1 4.13Å; K79-V111 HydrophobicContact CG-CG2 4.05Å; L82-V111 HydrophobicContact CD2-CG1 3.88Å; L98-V111 HydrophobicContact CD1-CB 4.19Å; L98-V111 HydrophobicContact CD1-CG1 3.76Å; A107-V111 WeakPolarHBondContact O-CG2 3.39Å; A107-V111 PolarHBondContact O-N 2.83Å; A108-V111 PolarHBondContact O-N 2.77Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 3.1Å; V111-H114 CarbonylContact O-C 3.37Å; V111-H114 PolarHBondContact O-N 3.44Å; V111-H114 VanDerWaalsContact O-N 3.15Å; V111-I115 WeakPolarHBondContact O-CG1 3.49Å; V111-I115 PolarHBondContact O-N 2.78Å
112M94.7Very high84.1Confident6 Ų645.8 Ų45.83%0.0325%0.253CS..Hα-helixtrans-61.7-44.4-179.2-172.3173-77.400112.2L98 A108 A109 H114 I115 V124 G126 L127 L151 E153L98-M112 HydrophobicContact CB-CE 4.31Å; L98-M112 HydrophobicContact CD1-CB 4.14Å; L98-M112 HydrophobicContact CD1-CE 4.11Å; L98-M112 HydrophobicContact CG-CE 4.04Å; A108-M112 PolarHBondContact O-N 3.28Å; A109-M112 PolarHBondContact O-N 3.02Å; M112-H114 PolarHBondContact O-N 3.04Å; M112-H114 VanDerWaalsContact O-N 3.12Å; M112-I115 HydrophobicContact CG-CD1 4.48Å; M112-I115 PolarHBondContact O-N 3.22Å; M112-V124 HydrophobicContact CE-CG1 3.25Å; M112-V124 HydrophobicContact CG-CG1 4.4Å; M112-G126 VanDerWaalsContact CE-O 3.24Å; M112-G126 WeakPolarHBondContact CE-O 3.46Å; M112-L127 HydrophobicContact CE-CB 3.67Å; M112-L127 HydrophobicContact CE-CD1 4.49Å; M112-L127 HydrophobicContact SD-CB 3.7Å; M112-L151 HydrophobicContact CB-CD2 3.75Å; M112-L151 HydrophobicContact CG-CD2 3.72Å; M112-L151 HydrophobicContact SD-CD2 3.96Å; M112-E153 HydrophobicContact CE-CB 4.37Å; M112-E153 VanDerWaalsContact CG-OE2 3.28Å; M112-E153 WeakPolarHBondContact CG-OE2 3.47Å; M112-E153 HydrophobicContact SD-CB 3.87Å; M112-E153 HydrophobicContact SD-CG 4.3Å
113C92Very high83.8Confident23 Ų2346.7 Ų46.716%0.15526%0.256CS..Hα-helixtrans-59.6-23.2176.3179.60000113.7A109 D147 R150 L151A109-C113 WeakPolarHBondContact O-CB 3.34Å; A109-C113 PolarHBondContact O-N 3.27Å; C113-D147 HydrophobicContact CB-CB 4.2Å; C113-R150 WeakPolarHBondContact SG-CB 3.48Å; C113-R150 WeakPolarHBondContact SG-CD 3.23Å; C113-L151 HydrophobicContact CB-CD2 4.03Å
114H86.6Confident83.7Confident86 Ų8645.7 Ų45.740%0.39825%0.251SS..THydrogen-bonded Turntrans-122.531.2-175.1-60.9-50.5000112.5K79 S110 V111 M112K79-H114 PolarHBondContact NZ-O 3.42Å; S110-H114 WeakPolarHBondContact O-CB 3.43Å; S110-H114 PolarHBondContact O-CD2 2.81Å; S110-H114 PolarHBondContact O-N 2.86Å; V111-H114 CarbonylContact O-C 3.37Å; V111-H114 PolarHBondContact O-N 3.44Å; V111-H114 VanDerWaalsContact O-N 3.15Å; M112-H114 PolarHBondContact O-N 3.04Å; M112-H114 VanDerWaalsContact O-N 3.12Å
115I80.3Confident83.5Confident35 Ų3548 Ų4818%0.17926%0.26CS..  trans-70.9129.3163.4-62.7173.4000106.8V111 M112 D119 V124V111-I115 WeakPolarHBondContact O-CG1 3.49Å; V111-I115 PolarHBondContact O-N 2.78Å; M112-I115 HydrophobicContact CG-CD1 4.48Å; M112-I115 PolarHBondContact O-N 3.22Å; I115-D119 HydrophobicContact CG2-CB 4.26Å; I115-V124 HydrophobicContact CD1-CB 3.73Å; I115-V124 HydrophobicContact CD1-CG1 4.05Å; I115-V124 HydrophobicContact CD1-CG2 3.56Å
116E67.2Low83.5Confident128 Ų12848 Ų4860%0.59826%0.26SS*.  trans-79.1138.8177.9-67.9-177.9179.300108.9D118 D119E116-D118 PolarHBondContact O-N 3.09Å; E116-D118 VanDerWaalsContact O-N 3.09Å; E116-D119 VanDerWaalsContact O-CB 3.3Å; E116-D119 WeakPolarHBondContact O-CB 3.39Å; E116-D119 PolarHBondContact O-N 3.02Å
117P59.5Low83.5Confident97 Ų9745.7 Ų45.763%0.6325%0.251SS*.G310 helixtrans-55.9-31.3-177.3-2633.7000114D119 G120P117-D119 PolarHBondContact O-N 2.98Å; P117-G120 PolarHBondContact O-N 3.41Å
118D56.3Low83.6Confident158 Ų15845.7 Ų45.785%0.84525%0.251SS*.G310 helixtrans-73-8.6-179.4-66.9-21.7000113.1E116 G120E116-D118 PolarHBondContact O-N 3.09Å; E116-D118 VanDerWaalsContact O-N 3.09Å; D118-G120 PolarHBondContact O-N 2.9Å
119D54.6Low83.6Confident78 Ų7845.7 Ų45.742%0.41725%0.251SS..G310 helixtrans-75.26.2175.4-95.9-38.9000113K86 I115 E116 P117K86-D119 WeakPolarHBondContact CE-O 3.09Å; K86-D119 PolarHBondContact NZ-O 3.4Å; K86-D119 IonicContact NZ-OD1 2.68Å; K86-D119 PolarHBondContact NZ-OD1 2.87Å; I115-D119 HydrophobicContact CG2-CB 4.26Å; E116-D119 VanDerWaalsContact O-CB 3.3Å; E116-D119 WeakPolarHBondContact O-CB 3.39Å; E116-D119 PolarHBondContact O-N 3.02Å; P117-D119 PolarHBondContact O-N 2.98Å
120G53.2Low83.6Confident49 Ų4945.9 Ų45.951%0.50525%0.252SS..THydrogen-bonded Turntrans67.978.3-17500000109.1P117 D118 D122 F123P117-G120 PolarHBondContact O-N 3.41Å; D118-G120 PolarHBondContact O-N 2.9Å; G120-D122 PolarHBondContact O-N 3.25Å; G120-F123 PolarHBondContact O-N 2.92Å
121D62.5Low83.7Confident67 Ų6745.6 Ų45.636%0.35825%0.25SC..G310 helixtrans-47.3-20.1-167.1-114-9.1000115.3F123D121-F123 PolarHBondContact O-N 3.42Å
122D83.2Confident83.8Confident135 Ų13545.6 Ų45.672%0.72225%0.25SC*.G310 helixtrans-87.6-2.9-171.5-61-33.3000115.3G120 V124 R125G120-D122 PolarHBondContact O-N 3.25Å; D122-V124 VanDerWaalsContact C-N 3.31Å; D122-V124 PolarHBondContact O-N 2.9Å; D122-R125 WeakPolarHBondContact O-CD 3.41Å
123F92.4Very high84Confident32 Ų3245.5 Ų45.514%0.1425%0.249CC..G310 helixtrans-69.9-29.6-178.2-169.8-113.8000112.8L82 K86 L93 G95 V96 G120 D121L82-F123 HydrophobicContact CD1-CD1 3.99Å; L82-F123 HydrophobicContact CD1-CE1 4Å; K86-F123 HydrophobicContact CB-CD1 3.95Å; K86-F123 HydrophobicContact CB-CE1 3.66Å; K86-F123 HydrophobicContact CB-CZ 4.16Å; K86-F123 HydrophobicContact CD-CD1 4.29Å; K86-F123 HydrophobicContact CG-CD1 3.93Å; K86-F123 HydrophobicContact CG-CE1 4.09Å; K86-F123 HydrophobicContact CG-CG 4.23Å; L93-F123 HydrophobicContact CB-CE2 4.36Å; L93-F123 HydrophobicContact CB-CZ 4.41Å; G95-F123 CarbonylContact C-O 3.59Å; G95-F123 WeakPolarHBondContact CA-O 3.24Å; V96-F123 HydrophobicContact CB-CE1 4.35Å; V96-F123 HydrophobicContact CG1-CE1 3.79Å; V96-F123 HydrophobicContact CG1-CZ 3.77Å; V96-F123 HydrophobicContact CG2-CD1 3.87Å; V96-F123 HydrophobicContact CG2-CE1 3.66Å; V96-F123 HydrophobicContact CG2-CZ 4.42Å; V96-F123 PolarHBondContact N-O 3.32Å; G120-F123 PolarHBondContact O-N 2.92Å; D121-F123 PolarHBondContact O-N 3.42Å
124V94.6Very high84.3Confident8 Ų844.4 Ų44.45%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-97.7116.9-179.51740000109.8L82 V96 L98 M112 I115 D122L82-V124 HydrophobicContact CD1-CG2 3.97Å; L82-V124 HydrophobicContact CD2-CG2 4.04Å; V96-V124 HydrophobicContact CG2-CG2 4.14Å; V96-V124 CarbonylContact O-C 3.37Å; V96-V124 WeakPolarHBondContact O-CA 3.14Å; L98-V124 HydrophobicContact CD1-CG1 4Å; L98-V124 HydrophobicContact CD1-CG2 4.47Å; L98-V124 HydrophobicContact CD2-CG1 4.3Å; L98-V124 HydrophobicContact CD2-CG2 4.21Å; L98-V124 HydrophobicContact CG-CG1 3.78Å; L98-V124 HydrophobicContact CG-CG2 4.47Å; M112-V124 HydrophobicContact CE-CG1 3.25Å; M112-V124 HydrophobicContact CG-CG1 4.4Å; I115-V124 HydrophobicContact CD1-CB 3.73Å; I115-V124 HydrophobicContact CD1-CG1 4.05Å; I115-V124 HydrophobicContact CD1-CG2 3.56Å; D122-V124 VanDerWaalsContact C-N 3.31Å; D122-V124 PolarHBondContact O-N 2.9Å
125R95.2Very high84.8Confident49 Ų4940.3 Ų40.319%0.18522%0.223CC..EExtended strand (participates in β ladder)trans-97.6-13.4-169-49.8-44.4-51.3-73.5-15.8114.6Y30 V96 F97 D122 D223Y30-R125 HydrophobicContact CD1-CG 4.08Å; Y30-R125 HydrophobicContact CE1-CG 3.95Å; Y30-R125 PolarHBondContact OH-NH1 3.41Å; V96-R125 PolarHBondContact O-N 2.95Å; F97-R125 HydrophobicContact CD1-CB 4.36Å; F97-R125 HydrophobicContact CE1-CB 3.92Å; F97-R125 HydrophobicContact CE2-CB 4.04Å; F97-R125 HydrophobicContact CZ-CB 3.74Å; D122-R125 WeakPolarHBondContact O-CD 3.41Å; R125-D223 IonicContact CZ-OD1 2.94Å; R125-D223 IonicContact CZ-OD2 2.83Å; R125-D223 VanDerWaalsContact NH1-CG 3.29Å; R125-D223 IonicContact NH1-OD1 3.49Å; R125-D223 IonicContact NH1-OD2 3.71Å; R125-D223 PolarHBondContact NH1-OD2 3.26Å; R125-D223 IonicContact NH2-OD1 3.8Å; R125-D223 PolarHBondContact NH2-OD1 3.42Å; R125-D223 IonicContact NH2-OD2 2.59Å; R125-D223 PolarHBondContact NH2-OD2 3.12Å
126G96.7Very high85.5Confident0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans163.8171177.800000114.6F97 L98 M112 P154F97-G126 WeakPolarHBondContact CA-O 3.44Å; L98-G126 PolarHBondContact N-O 2.88Å; M112-G126 VanDerWaalsContact CE-O 3.24Å; M112-G126 WeakPolarHBondContact CE-O 3.46Å; G126-P154 CarbonylContact C-O 3.43Å; G126-P154 WeakPolarHBondContact CA-O 3.29Å
127L98.4Very high86.8Confident0 Ų039.7 Ų39.70%022%0.224CC..EExtended strand (participates in β ladder)trans-115.3131.5-175.4-176.662.3000112.4L98 A108 A109 M112 C129 L151 P154 V155 L156L98-L127 HydrophobicContact CB-CD1 4.22Å; L98-L127 CarbonylContact O-C 3.6Å; L98-L127 WeakPolarHBondContact O-CA 3.3Å; A108-L127 HydrophobicContact CB-CD1 3.53Å; A109-L127 HydrophobicContact CB-CD2 3.7Å; M112-L127 HydrophobicContact CE-CB 3.67Å; M112-L127 HydrophobicContact CE-CD1 4.49Å; M112-L127 HydrophobicContact SD-CB 3.7Å; L127-C129 VanDerWaalsContact CD2-SG 3.58Å; L127-L151 HydrophobicContact CD2-CD1 3.57Å; L127-P154 PolarHBondContact N-O 3.32Å; L127-V155 HydrophobicContact CB-CB 4.46Å; L127-V155 HydrophobicContact CB-CG1 4.16Å; L127-V155 HydrophobicContact CB-CG2 4.15Å; L127-V155 HydrophobicContact CD2-CG1 4.02Å; L127-V155 HydrophobicContact CD2-CG2 4.37Å; L127-V155 HydrophobicContact CG-CG1 4.29Å; L127-V155 WeakPolarHBondContact O-CA 3.3Å; L127-L156 PolarHBondContact O-N 2.91Å
128I98.8Very high88.4Confident0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-112.8106.6175.7-56.9160.4000109.6I32 F97 L98 G99 G100 I130 I212 W215 I216I32-I128 HydrophobicContact CG2-CD1 4.18Å; F97-I128 HydrophobicContact CB-CD1 4.01Å; L98-I128 PolarHBondContact O-N 2.59Å; G99-I128 WeakPolarHBondContact CA-O 3.27Å; G100-I128 PolarHBondContact N-O 2.83Å; I128-I130 HydrophobicContact CG2-CG1 4.14Å; I128-I212 HydrophobicContact CD1-CG2 3.8Å; I128-I212 HydrophobicContact CG1-CG2 4.41Å; I128-I212 HydrophobicContact CG2-CD1 3.81Å; I128-I212 HydrophobicContact CG2-CG1 4.01Å; I128-I212 HydrophobicContact CG2-CG2 4.24Å; I128-W215 HydrophobicContact CD1-CZ3 4.29Å; I128-W215 HydrophobicContact CG1-CE3 4.15Å; I128-W215 HydrophobicContact CG1-CH2 4.48Å; I128-W215 HydrophobicContact CG1-CZ3 3.61Å; I128-I216 HydrophobicContact CD1-CD1 3.94Å; I128-I216 HydrophobicContact CD1-CG1 4.27Å
129C98.7Very high90.3Very high0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-101.195.8-177.4-800000111.5L127 Y132 L156 F157 V158L127-C129 VanDerWaalsContact CD2-SG 3.58Å; C129-Y132 HydrophobicContact CB-CD2 4.37Å; C129-L156 PolarHBondContact N-O 2.68Å; C129-F157 HydrophobicContact CB-CD1 3.5Å; C129-F157 HydrophobicContact CB-CE1 3.87Å; C129-F157 HydrophobicContact CB-CG 4.22Å; C129-V158 PolarHBondContact O-N 2.83Å
130I98.6Very high92.3Very high5 Ų539.4 Ų39.43%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-90.7120.9175.5-52.5171.2000109.2L50 G100 R101 S102 I128 Y132 M194 I212L50-I130 HydrophobicContact CD2-CD1 3.72Å; G100-I130 WeakPolarHBondContact O-CB 3.26Å; G100-I130 PolarHBondContact O-N 2.91Å; R101-I130 CarbonylContact C-O 3.5Å; R101-I130 VanDerWaalsContact CA-O 3.27Å; R101-I130 WeakPolarHBondContact CA-O 3.28Å; R101-I130 HydrophobicContact CB-CB 4.42Å; R101-I130 HydrophobicContact CG-CG2 4.43Å; S102-I130 PolarHBondContact N-O 3.26Å; I128-I130 HydrophobicContact CG2-CG1 4.14Å; I130-Y132 PolarHBondContact O-N 2.74Å; I130-M194 HydrophobicContact CG2-CE 4.37Å; I130-I212 HydrophobicContact CD1-CD1 3.99Å; I130-I212 HydrophobicContact CG1-CD1 4.2Å
131S98.1Very high94.3Very high0 Ų043.9 Ų43.90%021%0.212CC..THydrogen-bonded Turntrans5053.5-177-50.40000111.9S102 P133 V158 H192 M194S102-S131 VanDerWaalsContact CA-O 3.24Å; S102-S131 WeakPolarHBondContact CA-O 3.3Å; S102-S131 PolarHBondContact N-O 2.91Å; S131-P133 WeakPolarHBondContact O-CD 3.48Å; S131-V158 PolarHBondContact N-O 2.98Å; S131-H192 PolarHBondContact O-CE1 3.34Å; S131-H192 PolarHBondContact OG-O 3.13Å; S131-M194 WeakPolarHBondContact OG-CE 3.34Å
132Y98.4Very high95.9Very high2 Ų246.8 Ų46.81%0.00822%0.221CC..  trans-61.8119.9179.5-172.1-86.2000110R106 A109 C129 I130 L134 R144 L148 F157 C166R106-Y132 HydrophobicContact CB-CE2 4.32Å; R106-Y132 HydrophobicContact CG-CD2 4.19Å; R106-Y132 HydrophobicContact CG-CE1 4.33Å; R106-Y132 HydrophobicContact CG-CE2 3.64Å; A109-Y132 HydrophobicContact CB-CE2 4.13Å; C129-Y132 HydrophobicContact CB-CD2 4.37Å; I130-Y132 PolarHBondContact O-N 2.74Å; Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 HydrophobicContact CD1-CB 4.23Å; Y132-L134 HydrophobicContact CE1-CD1 4.3Å; Y132-L134 PolarHBondContact O-N 2.75Å; Y132-R144 WeakPolarHBondContact CE1-O 3.2Å; Y132-R144 PolarHBondContact OH-O 3.38Å; Y132-L148 HydrophobicContact CE1-CD1 4.04Å; Y132-L148 HydrophobicContact CE2-CD2 4.08Å; Y132-F157 HydrophobicContact CG-CE1 4.28Å; Y132-C166 VanDerWaalsContact O-CB 3.28Å; Y132-C166 WeakPolarHBondContact O-CB 3.37Å; Y132-C166 PolarHBondContact O-SG 3.26Å
133P98.1Very high96.5Very high3 Ų342.9 Ų42.92%0.01920%0.2CC..  trans-84.280.9-176.131.4-22.6000108.4S102 R106 S131 H135 R144 M165S102-P133 WeakPolarHBondContact O-CD 3.32Å; R106-P133 HydrophobicContact CG-CG 4.05Å; S131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-H135 PolarHBondContact O-N 2.99Å; P133-R144 WeakPolarHBondContact O-CD 3.22Å; P133-R144 PolarHBondContact O-NH1 2.99Å; P133-M165 CarbonylContact C-O 3.49Å; P133-M165 HydrophobicContact CB-CB 3.93Å; P133-M165 HydrophobicContact CB-CE 3.68Å; P133-M165 HydrophobicContact CB-SD 4.09Å
134L98.5Very high96.8Very high0 Ų043.4 Ų43.40%020%0.201CC..  trans-56.2-34.3-176.8-177.263.6000112.3Y132 L143 R144 D145 L148 M165 C166 L170 L171 V174Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 HydrophobicContact CD1-CB 4.23Å; Y132-L134 HydrophobicContact CE1-CD1 4.3Å; Y132-L134 PolarHBondContact O-N 2.75Å; L134-L143 HydrophobicContact CD2-CD2 4.33Å; L134-L143 HydrophobicContact CG-CD2 4.13Å; L134-L143 CarbonylContact O-C 3.57Å; L134-R144 WeakPolarHBondContact O-CB 3.38Å; L134-R144 PolarHBondContact O-N 2.86Å; L134-D145 HydrophobicContact CD1-CB 4.26Å; L134-L148 HydrophobicContact CD1-CD1 4.42Å; L134-M165 PolarHBondContact N-O 2.97Å; L134-C166 HydrophobicContact CB-CB 4.32Å; L134-L170 HydrophobicContact CD2-CB 3.93Å; L134-L171 HydrophobicContact CD2-CB 4.28Å; L134-L171 HydrophobicContact CD2-CD1 4.46Å; L134-V174 HydrophobicContact CD1-CG1 4.43Å; L134-V174 HydrophobicContact CD1-CG2 4.29Å; L134-V174 HydrophobicContact CD2-CG2 4.29Å
135H97.9Very high96.9Very high0 Ų044.2 Ų44.20%021%0.205CC..SBendtrans-139.9171.3172.953.485000110.8P133 Q139 L143 E164 M165 E167P133-H135 PolarHBondContact O-N 2.99Å; H135-Q139 WeakPolarHBondContact CB-O 3.43Å; H135-L143 HydrophobicContact CB-CD2 4.32Å; H135-E164 PolarHBondContact CE1-O 2.92Å; H135-M165 PolarHBondContact N-O 3.09Å; H135-E167 PolarHBondContact NE2-N 3.37Å
136H95.6Very high96.9Very high88 Ų8848.9 Ų48.941%0.40723%0.229SC..  trans-74.5156.1163.2-76.7-86000110K138 Q139 R144H136-K138 PolarHBondContact O-N 2.77Å; H136-Q139 HydrophobicContact CB-CB 4.03Å; H136-Q139 HydrophobicContact CB-CG 4.07Å; H136-Q139 PolarHBondContact O-N 3.01Å; H136-R144 PolarHBondContact CD2-NH2 3.09Å; H136-R144 PolarHBondContact CE1-NH2 3.23Å; H136-R144 PolarHBondContact ND1-NH2 2.61Å; H136-R144 PolarHBondContact NE2-NH2 3.49Å
137P93.6Very high96.8Very high62 Ų6250.8 Ų50.840%0.40324%0.239SC..THydrogen-bonded Turntrans-51.6132.2171.2-26.334.7000110.8Q139 E164 M165P137-Q139 PolarHBondContact O-N 3.05Å; P137-E164 HydrophobicContact CG-CG 4.41Å; P137-M165 HydrophobicContact CG-CG 3.96Å
138K93.6Very high96.7Very high185 Ų18550.8 Ų50.880%0.80424%0.239SC*.THydrogen-bonded Turntrans63.317.2-179.6-47.2177-179-179.70115.1H136 Q140H136-K138 PolarHBondContact O-N 2.77Å; K138-Q140 PolarHBondContact O-OE1 2.95Å
139Q95.9Very high96.6Very high73 Ų7353.3 Ų53.334%0.34125%0.25SS..  trans-123.446.1177.7-60.4-170.5-2.300112.4H135 H136 P137 H141 K142H135-Q139 WeakPolarHBondContact CB-O 3.43Å; H136-Q139 HydrophobicContact CB-CB 4.03Å; H136-Q139 HydrophobicContact CB-CG 4.07Å; H136-Q139 PolarHBondContact O-N 3.01Å; P137-Q139 PolarHBondContact O-N 3.05Å; Q139-H141 PolarHBondContact O-N 3.01Å; Q139-K142 PolarHBondContact O-N 3.48Å
140Q95.7Very high96.4Very high69 Ų6961.3 Ų61.332%0.32228%0.281SS..THydrogen-bonded Turntrans-57.6-19.3-178.1-66.583.6-8.700114.3K138 L143 E167 L170K138-Q140 PolarHBondContact O-OE1 2.95Å; Q140-L143 VanDerWaalsContact O-CD2 3.25Å; Q140-L143 WeakPolarHBondContact O-CD2 3.26Å; Q140-E167 VanDerWaalsContact CD-OE1 3.32Å; Q140-E167 VanDerWaalsContact CG-CD 3.5Å; Q140-E167 HydrophobicContact CG-CG 4.45Å; Q140-E167 WeakPolarHBondContact CG-OE1 3.47Å; Q140-E167 PolarHBondContact NE2-OE1 2.83Å; Q140-L170 HydrophobicContact CB-CD1 3.79Å; Q140-L170 HydrophobicContact CG-CD1 3.98Å
141H95.4Very high96.2Very high143 Ų14361.1 Ų61.166%0.66228%0.28SS*.THydrogen-bonded Turntrans-83.7-11.2177.163.7-79.9000113.8Q139Q139-H141 PolarHBondContact O-N 3.01Å
142K96.2Very high96Very high128 Ų12868.1 Ų68.156%0.55731%0.31SS*.SBendtrans-115.679.3179.5-73.2176.8-176.1-176.50109.8Q139Q139-K142 PolarHBondContact O-N 3.48Å
143L97.1Very high95.7Very high54 Ų5469.6 Ų69.628%0.28332%0.317SS..  trans-76154179.8-54.4-177.4000111.2L134 H135 Q140 D145 L170 V174L134-L143 HydrophobicContact CD2-CD2 4.33Å; L134-L143 HydrophobicContact CG-CD2 4.13Å; L134-L143 CarbonylContact O-C 3.57Å; H135-L143 HydrophobicContact CB-CD2 4.32Å; Q140-L143 VanDerWaalsContact O-CD2 3.25Å; Q140-L143 WeakPolarHBondContact O-CD2 3.26Å; L143-D145 HydrophobicContact CB-CB 4.35Å; L143-D145 WeakPolarHBondContact CD1-OD2 3.22Å; L143-L170 HydrophobicContact CD2-CD1 4.12Å; L143-V174 HydrophobicContact CD1-CG2 3.97Å
144R96.9Very high95.7Very high43 Ų4370.8 Ų70.816%0.16233%0.325CS..  trans-112.561.6173-64.8153.3171.1173.5-0108.4R106 Y132 P133 L134 H136R106-R144 VanDerWaalsContact NH1-CZ 3.32Å; Y132-R144 WeakPolarHBondContact CE1-O 3.2Å; Y132-R144 PolarHBondContact OH-O 3.38Å; P133-R144 WeakPolarHBondContact O-CD 3.22Å; P133-R144 PolarHBondContact O-NH1 2.99Å; L134-R144 WeakPolarHBondContact O-CB 3.38Å; L134-R144 PolarHBondContact O-N 2.86Å; H136-R144 PolarHBondContact CD2-NH2 3.09Å; H136-R144 PolarHBondContact CE1-NH2 3.23Å; H136-R144 PolarHBondContact ND1-NH2 2.61Å; H136-R144 PolarHBondContact NE2-NH2 3.49Å
145D96.9Very high95.7Very high25 Ų2570.8 Ų70.813%0.13433%0.325CS..  trans-112.2-11.1-170.954.3-3.2000113.6L134 L143 D147 L148 F149 V174L134-D145 HydrophobicContact CD1-CB 4.26Å; L143-D145 HydrophobicContact CB-CB 4.35Å; L143-D145 WeakPolarHBondContact CD1-OD2 3.22Å; D145-D147 PolarHBondContact O-N 3.04Å; D145-L148 WeakPolarHBondContact O-CA 3.47Å; D145-L148 WeakPolarHBondContact O-CB 3.25Å; D145-L148 PolarHBondContact O-N 3.06Å; D145-F149 HydrophobicContact CB-CE1 4.37Å; D145-F149 HydrophobicContact CB-CE2 3.79Å; D145-F149 HydrophobicContact CB-CZ 3.69Å; D145-F149 VanDerWaalsContact CG-CE2 3.43Å; D145-F149 WeakPolarHBondContact O-CD2 3.3Å; D145-F149 PolarHBondContact O-N 3.2Å; D145-F149 WeakPolarHBondContact OD2-CE2 3.42Å; D145-F149 WeakPolarHBondContact OD2-CZ 3.44Å; D145-V174 HydrophobicContact CB-CG1 3.74Å; D145-V174 HydrophobicContact CB-CG2 4.09Å
146E95.7Very high95.7Very high146 Ų14671.1 Ų71.168%0.68233%0.326SS*.THydrogen-bonded Turntrans-52.3-47.2-178.2-65-179.6-177.300113.6L148 F149E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 2.97Å; E146-F149 PolarHBondContact O-N 2.79Å
147D94.9Very high95.9Very high40 Ų4066.9 Ų66.921%0.21431%0.307CS..THydrogen-bonded Turntrans-64.2-37.7176.9-70.9-21000111.2S110 C113 D145 F149 R150 L151S110-D147 WeakPolarHBondContact CB-OD2 3.48Å; S110-D147 PolarHBondContact OG-OD2 3.06Å; C113-D147 HydrophobicContact CB-CB 4.2Å; D145-D147 PolarHBondContact O-N 3.04Å; D147-F149 VanDerWaalsContact C-N 3.31Å; D147-F149 PolarHBondContact O-N 2.79Å; D147-R150 PolarHBondContact O-N 3.11Å; D147-R150 VanDerWaalsContact O-N 3.17Å; D147-L151 WeakPolarHBondContact O-CG 3.42Å; D147-L151 PolarHBondContact O-N 3.32Å
148L97.2Very high96.1Very high0 Ų064 Ų640%029%0.288CS..G310 helixtrans-64.6-35.6-176.1-57.5179.9000111.9A109 Y132 L134 D145 E146 R150 L151 F157 V174 M178A109-L148 HydrophobicContact CB-CD2 4.18Å; Y132-L148 HydrophobicContact CE1-CD1 4.04Å; Y132-L148 HydrophobicContact CE2-CD2 4.08Å; L134-L148 HydrophobicContact CD1-CD1 4.42Å; D145-L148 WeakPolarHBondContact O-CA 3.47Å; D145-L148 WeakPolarHBondContact O-CB 3.25Å; D145-L148 PolarHBondContact O-N 3.06Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 2.97Å; L148-R150 PolarHBondContact O-N 3.1Å; L148-L151 HydrophobicContact CD2-CD1 3.97Å; L148-L151 PolarHBondContact O-N 2.9Å; L148-F157 HydrophobicContact CD1-CE1 4.26Å; L148-F157 HydrophobicContact CD1-CZ 4.03Å; L148-F157 HydrophobicContact CD2-CE1 4.36Å; L148-F157 HydrophobicContact CD2-CZ 4.07Å; L148-V174 HydrophobicContact CD1-CG1 3.96Å; L148-M178 HydrophobicContact CB-CE 4.45Å; L148-M178 HydrophobicContact CB-CG 4.37Å; L148-M178 HydrophobicContact CB-SD 4.18Å
149F96.3Very high96.3Very high53 Ų5355.1 Ų55.123%0.23225%0.25CC..G310 helixtrans-71.2-15179-59.5-37.5000114.2D145 E146 D147 V174 K177 M178 Q179D145-F149 HydrophobicContact CB-CE1 4.37Å; D145-F149 HydrophobicContact CB-CE2 3.79Å; D145-F149 HydrophobicContact CB-CZ 3.69Å; D145-F149 VanDerWaalsContact CG-CE2 3.43Å; D145-F149 WeakPolarHBondContact O-CD2 3.3Å; D145-F149 PolarHBondContact O-N 3.2Å; D145-F149 WeakPolarHBondContact OD2-CE2 3.42Å; D145-F149 WeakPolarHBondContact OD2-CZ 3.44Å; E146-F149 PolarHBondContact O-N 2.79Å; D147-F149 VanDerWaalsContact C-N 3.31Å; D147-F149 PolarHBondContact O-N 2.79Å; F149-V174 HydrophobicContact CE1-CB 4.48Å; F149-V174 HydrophobicContact CE1-CG1 3.79Å; F149-V174 WeakPolarHBondContact CE1-O 3.48Å; F149-V174 HydrophobicContact CZ-CG1 4.09Å; F149-K177 HydrophobicContact CD1-CB 4.05Å; F149-K177 HydrophobicContact CE1-CB 3.6Å; F149-K177 HydrophobicContact CE1-CD 4.27Å; F149-K177 HydrophobicContact CZ-CB 4.3Å; F149-K177 HydrophobicContact CZ-CD 4.17Å; F149-M178 HydrophobicContact CD1-CG 4.27Å; F149-Q179 PolarHBondContact O-NE2 2.79Å
150R93.8Very high96.5Very high168 Ų16851.7 Ų51.763%0.63423%0.233SC*.G310 helixtrans-98.6-11.3-179.8-65.4175.6-176.5-128.44.6113.3C113 D147 L148C113-R150 WeakPolarHBondContact SG-CB 3.48Å; C113-R150 WeakPolarHBondContact SG-CD 3.23Å; D147-R150 PolarHBondContact O-N 3.11Å; D147-R150 VanDerWaalsContact O-N 3.17Å; L148-R150 PolarHBondContact O-N 3.1Å
151L94.7Very high96.6Very high1 Ų149.8 Ų49.81%0.00523%0.228CC..  trans-65.2143177.5-59.6177.8000110.8M112 C113 L127 D147 L148 V155 M178 A180M112-L151 HydrophobicContact CB-CD2 3.75Å; M112-L151 HydrophobicContact CG-CD2 3.72Å; M112-L151 HydrophobicContact SD-CD2 3.96Å; C113-L151 HydrophobicContact CB-CD2 4.03Å; L127-L151 HydrophobicContact CD2-CD1 3.57Å; D147-L151 WeakPolarHBondContact O-CG 3.42Å; D147-L151 PolarHBondContact O-N 3.32Å; L148-L151 HydrophobicContact CD2-CD1 3.97Å; L148-L151 PolarHBondContact O-N 2.9Å; L151-V155 HydrophobicContact CB-CG2 4.37Å; L151-V155 HydrophobicContact CD1-CG2 3.7Å; L151-M178 HydrophobicContact CD1-CE 4.38Å; L151-A180 HydrophobicContact CB-CB 4.1Å; L151-A180 WeakPolarHBondContact O-CB 3.45Å; L151-A180 PolarHBondContact O-N 2.94Å
152K92.8Very high96.7Very high147 Ų14745.7 Ų45.764%0.63922%0.219SC*.  trans-115.9-31.1176.9-63.3178-177.2172.30112
153E93.6Very high96.7Very high34 Ų3439.9 Ų39.916%0.15919%0.194CC..SBendtrans-76.7153.6-178-56.765.9-146.100110.8M112 V155 A180M112-E153 HydrophobicContact CE-CB 4.37Å; M112-E153 VanDerWaalsContact CG-OE2 3.28Å; M112-E153 WeakPolarHBondContact CG-OE2 3.47Å; M112-E153 HydrophobicContact SD-CB 3.87Å; M112-E153 HydrophobicContact SD-CG 4.3Å; E153-V155 WeakPolarHBondContact O-CG2 3.46Å; E153-V155 PolarHBondContact O-N 3.22Å; E153-A180 VanDerWaalsContact O-CB 3.22Å; E153-A180 WeakPolarHBondContact O-CB 3.37Å
154P97Very high96.7Very high28 Ų2842 Ų4218%0.18220%0.202CC..  trans-53.2136.1178.1-28.336000113.7G126 L127 P181 W215 I219G126-P154 CarbonylContact C-O 3.43Å; G126-P154 WeakPolarHBondContact CA-O 3.29Å; L127-P154 PolarHBondContact N-O 3.32Å; P154-P181 CarbonylContact C-O 3.54Å; P154-P181 WeakPolarHBondContact CA-O 3.29Å; P154-W215 HydrophobicContact CB-CH2 4.37Å; P154-W215 HydrophobicContact CB-CZ2 3.64Å; P154-W215 WeakPolarHBondContact O-CH2 3.47Å; P154-W215 WeakPolarHBondContact O-CZ2 3.4Å; P154-I219 HydrophobicContact CB-CD1 3.75Å; P154-I219 HydrophobicContact CB-CG1 4.24Å; P154-I219 HydrophobicContact CG-CD1 3.78Å; P154-I219 HydrophobicContact CG-CG1 4.44Å
155V98.4Very high96.8Very high0 Ų041.5 Ų41.50%020%0.202CC..EExtended strand (participates in β ladder)trans-121126.7179.5-173.60000111.7L127 L151 E153 F157 M178 A180 P181 H182 K183L127-V155 HydrophobicContact CB-CB 4.46Å; L127-V155 HydrophobicContact CB-CG1 4.16Å; L127-V155 HydrophobicContact CB-CG2 4.15Å; L127-V155 HydrophobicContact CD2-CG1 4.02Å; L127-V155 HydrophobicContact CD2-CG2 4.37Å; L127-V155 HydrophobicContact CG-CG1 4.29Å; L127-V155 WeakPolarHBondContact O-CA 3.3Å; L151-V155 HydrophobicContact CB-CG2 4.37Å; L151-V155 HydrophobicContact CD1-CG2 3.7Å; E153-V155 WeakPolarHBondContact O-CG2 3.46Å; E153-V155 PolarHBondContact O-N 3.22Å; V155-F157 HydrophobicContact CB-CE2 4.29Å; V155-F157 HydrophobicContact CG1-CD2 3.97Å; V155-F157 HydrophobicContact CG1-CE1 4.39Å; V155-F157 HydrophobicContact CG1-CE2 3.46Å; V155-F157 VanDerWaalsContact CG1-CE2 3.46Å; V155-F157 HydrophobicContact CG1-CZ 3.7Å; V155-M178 HydrophobicContact CB-CE 3.98Å; V155-M178 HydrophobicContact CG1-CE 4.28Å; V155-M178 HydrophobicContact CG2-CE 3.7Å; V155-A180 HydrophobicContact CG2-CB 4.12Å; V155-P181 PolarHBondContact N-O 2.83Å; V155-H182 CarbonylContact O-C 3.55Å; V155-H182 VanDerWaalsContact O-CA 3.24Å; V155-H182 WeakPolarHBondContact O-CA 3.45Å; V155-K183 PolarHBondContact O-N 2.88Å
156L98.8Very high96.8Very high6 Ų640.3 Ų40.33%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-105.8120.5167.7176.165.5000110.4L127 C129 V158 K183 I212 W215L127-L156 PolarHBondContact O-N 2.91Å; C129-L156 PolarHBondContact N-O 2.68Å; L156-V158 HydrophobicContact CD2-CG2 4.04Å; L156-V158 HydrophobicContact CG-CG2 4.03Å; L156-K183 HydrophobicContact CD1-CB 3.99Å; L156-I212 HydrophobicContact CD2-CB 4.35Å; L156-I212 HydrophobicContact CD2-CG1 3.8Å; L156-W215 HydrophobicContact CB-CD2 3.58Å; L156-W215 HydrophobicContact CB-CE3 3.85Å; L156-W215 HydrophobicContact CB-CG 4.02Å; L156-W215 HydrophobicContact CB-CH2 4.2Å; L156-W215 HydrophobicContact CB-CZ2 3.96Å; L156-W215 HydrophobicContact CB-CZ3 4.16Å; L156-W215 HydrophobicContact CD1-CG 4.37Å; L156-W215 HydrophobicContact CD2-CB 3.84Å; L156-W215 HydrophobicContact CD2-CD2 3.98Å; L156-W215 HydrophobicContact CD2-CE3 4.05Å; L156-W215 HydrophobicContact CD2-CG 3.89Å; L156-W215 HydrophobicContact CG-CD2 4.3Å; L156-W215 HydrophobicContact CG-CG 4.32Å
157F98.8Very high96.9Very high0 Ų037.1 Ų37.10%018%0.181CC..EExtended strand (participates in β ladder)trans-94131.6164.2-62.9-87.2000110C129 Y132 L148 V155 L171 M178 K183 I184 H185C129-F157 HydrophobicContact CB-CD1 3.5Å; C129-F157 HydrophobicContact CB-CE1 3.87Å; C129-F157 HydrophobicContact CB-CG 4.22Å; Y132-F157 HydrophobicContact CG-CE1 4.28Å; L148-F157 HydrophobicContact CD1-CE1 4.26Å; L148-F157 HydrophobicContact CD1-CZ 4.03Å; L148-F157 HydrophobicContact CD2-CE1 4.36Å; L148-F157 HydrophobicContact CD2-CZ 4.07Å; V155-F157 HydrophobicContact CB-CE2 4.29Å; V155-F157 HydrophobicContact CG1-CD2 3.97Å; V155-F157 HydrophobicContact CG1-CE1 4.39Å; V155-F157 HydrophobicContact CG1-CE2 3.46Å; V155-F157 VanDerWaalsContact CG1-CE2 3.46Å; V155-F157 HydrophobicContact CG1-CZ 3.7Å; F157-L171 HydrophobicContact CB-CD2 4.11Å; F157-L171 HydrophobicContact CD1-CD1 4.03Å; F157-L171 HydrophobicContact CD1-CD2 4.34Å; F157-L171 HydrophobicContact CE1-CD1 4.04Å; F157-L171 HydrophobicContact CG-CD1 4.35Å; F157-L171 HydrophobicContact CG-CD2 4.21Å; F157-L171 HydrophobicContact CZ-CD1 4.36Å; F157-M178 HydrophobicContact CE2-CE 4.14Å; F157-M178 HydrophobicContact CE2-SD 3.85Å; F157-M178 HydrophobicContact CZ-CE 4.32Å; F157-M178 HydrophobicContact CZ-SD 4.03Å; F157-K183 PolarHBondContact N-O 3.24Å; F157-I184 HydrophobicContact CB-CB 4.44Å; F157-I184 HydrophobicContact CB-CG1 4.2Å; F157-I184 HydrophobicContact CB-CG2 4.18Å; F157-I184 HydrophobicContact CD2-CG1 4.16Å; F157-I184 CarbonylContact O-C 3.59Å; F157-I184 WeakPolarHBondContact O-CA 3.44Å; F157-H185 PolarHBondContact O-N 3.22Å
158V98.7Very high97Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-117.6106.5166.4-175.60000107C129 S131 L156 H185 I187 M194 I208 I212C129-V158 PolarHBondContact O-N 2.83Å; S131-V158 PolarHBondContact N-O 2.98Å; L156-V158 HydrophobicContact CD2-CG2 4.04Å; L156-V158 HydrophobicContact CG-CG2 4.03Å; V158-H185 WeakPolarHBondContact CA-O 3.31Å; V158-H185 HydrophobicContact CG2-CB 4.44Å; V158-I187 HydrophobicContact CG1-CD1 4.37Å; V158-I187 HydrophobicContact CG1-CG1 4.18Å; V158-M194 HydrophobicContact CG1-CE 4.47Å; V158-M194 WeakPolarHBondContact O-CE 3.47Å; V158-I208 HydrophobicContact CG1-CB 4.45Å; V158-I208 HydrophobicContact CG1-CG1 3.87Å; V158-I208 HydrophobicContact CG1-CG2 4.15Å; V158-I212 HydrophobicContact CG2-CD1 4.26Å; V158-I212 HydrophobicContact CG2-CG1 3.99Å
159S98.5Very high97Very high0 Ų044 Ų440%021%0.214CC..EExtended strand (participates in β ladder)trans-131.8147.4-168.1-68.20000111.5H185 W186 I187S159-H185 PolarHBondContact N-O 2.88Å; S159-W186 CarbonylContact O-C 3.55Å; S159-W186 WeakPolarHBondContact O-CA 3.38Å; S159-I187 PolarHBondContact O-N 2.83Å
160G98.3Very high97.1Very high0 Ų043 Ų430%021%0.211CC..EExtended strand (participates in β ladder)trans-82.6137.4173.700000111.4A162 D163 W186 I187 A190G160-A162 PolarHBondContact O-N 2.87Å; G160-D163 VanDerWaalsContact O-CB 3.31Å; G160-D163 WeakPolarHBondContact O-CB 3.21Å; G160-D163 PolarHBondContact O-N 2.81Å; G160-W186 WeakPolarHBondContact O-CZ3 3.4Å; G160-I187 WeakPolarHBondContact CA-O 3.43Å; G160-A190 CarbonylContact C-O 3.29Å; G160-A190 VanDerWaalsContact C-O 3.29Å; G160-A190 VanDerWaalsContact CA-O 3.22Å; G160-A190 WeakPolarHBondContact CA-O 3.31Å
161S97.9Very high97.3Very high29 Ų2935 Ų3520%0.20318%0.181CC..THydrogen-bonded Turntrans-68.8-12.6179.969.40000113.7I187 E188 K189S161-I187 PolarHBondContact N-O 2.88Å; S161-E188 VanDerWaalsContact OG-CD 3.31Å; S161-E188 PolarHBondContact OG-OE1 3.43Å; S161-K189 PolarHBondContact OG-N 3.02Å
162A97.3Very high97.5Very high58 Ų5838.1 Ų38.148%0.47920%0.195SC..THydrogen-bonded Turntrans-115.724.3175.800000112.5G160 E164 A190G160-A162 PolarHBondContact O-N 2.87Å; A162-E164 PolarHBondContact O-N 3.35Å; A162-A190 CarbonylContact C-O 3.25Å; A162-A190 VanDerWaalsContact C-O 3.25Å; A162-A190 WeakPolarHBondContact CA-O 3.22Å; A162-A190 WeakPolarHBondContact CB-O 3.48Å; A162-A190 PolarHBondContact N-O 2.92Å
163D97.8Very high97.7Very high5 Ų537.1 Ų37.13%0.02719%0.191CC..  trans-72.3116.1178.6-172.5-27000111.6G160 M165 C166 A190 H192G160-D163 VanDerWaalsContact O-CB 3.31Å; G160-D163 WeakPolarHBondContact O-CB 3.21Å; G160-D163 PolarHBondContact O-N 2.81Å; D163-M165 PolarHBondContact O-N 2.82Å; D163-M165 WeakPolarHBondContact OD1-CA 3.44Å; D163-M165 WeakPolarHBondContact OD1-CB 3.48Å; D163-M165 PolarHBondContact OD1-N 2.87Å; D163-C166 HydrophobicContact CB-CB 4.24Å; D163-C166 CarbonylContact O-C 3.4Å; D163-C166 PolarHBondContact O-N 2.77Å; D163-C166 PolarHBondContact OD1-N 2.93Å; D163-A190 PolarHBondContact N-O 3.35Å; D163-H192 VanDerWaalsContact CG-ND1 3.27Å; D163-H192 WeakPolarHBondContact OD1-CB 3.2Å; D163-H192 IonicContact OD1-CG 3.96Å; D163-H192 IonicContact OD1-ND1 2.7Å; D163-H192 PolarHBondContact OD1-ND1 3.47Å; D163-H192 WeakPolarHBondContact OD2-CA 3.48Å; D163-H192 IonicContact OD2-CE1 2.91Å; D163-H192 IonicContact OD2-CG 2.72Å; D163-H192 IonicContact OD2-ND1 3.17Å; D163-H192 PolarHBondContact OD2-ND1 3.06Å
164E97Very high98Very high100 Ų10035.6 Ų35.647%0.46718%0.184SC..THydrogen-bonded Turntrans-69.6-9.7-179.267.8-87.6-15900114.8H135 P137 A162 H192H135-E164 PolarHBondContact CE1-O 2.92Å; P137-E164 HydrophobicContact CG-CG 4.41Å; A162-E164 PolarHBondContact O-N 3.35Å; E164-H192 PolarHBondContact OE2-N 2.76Å
165M98.2Very high98Very high32 Ų3234.3 Ų34.316%0.15818%0.176CC..THydrogen-bonded Turntrans-108.3-2.7176.1-55.6-17177.300112.7P133 L134 H135 P137 D163 H192P133-M165 CarbonylContact C-O 3.49Å; P133-M165 HydrophobicContact CB-CB 3.93Å; P133-M165 HydrophobicContact CB-CE 3.68Å; P133-M165 HydrophobicContact CB-SD 4.09Å; L134-M165 PolarHBondContact N-O 2.97Å; H135-M165 PolarHBondContact N-O 3.09Å; P137-M165 HydrophobicContact CG-CG 3.96Å; D163-M165 PolarHBondContact O-N 2.82Å; D163-M165 WeakPolarHBondContact OD1-CA 3.44Å; D163-M165 WeakPolarHBondContact OD1-CB 3.48Å; D163-M165 PolarHBondContact OD1-N 2.87Å; M165-H192 VanDerWaalsContact SD-CD2 3.59Å
166C98.2Very high98Very high0 Ų041.7 Ų41.70%021%0.21CC..SBendtrans-151.981.7-178.2-1650000111.3Y132 L134 D163 K168Y132-C166 VanDerWaalsContact O-CB 3.28Å; Y132-C166 WeakPolarHBondContact O-CB 3.37Å; Y132-C166 PolarHBondContact O-SG 3.26Å; L134-C166 HydrophobicContact CB-CB 4.32Å; D163-C166 HydrophobicContact CB-CB 4.24Å; D163-C166 CarbonylContact O-C 3.4Å; D163-C166 PolarHBondContact O-N 2.77Å; D163-C166 PolarHBondContact OD1-N 2.93Å; C166-K168 PolarHBondContact O-N 3.34Å
167E97.1Very high97.9Very high79 Ų7948.4 Ų48.437%0.36924%0.239SC..  trans-63.8133.7177.1-71.7-176.1-172.300112.3H135 Q140 N169 L170 L171H135-E167 PolarHBondContact NE2-N 3.37Å; Q140-E167 VanDerWaalsContact CD-OE1 3.32Å; Q140-E167 VanDerWaalsContact CG-CD 3.5Å; Q140-E167 HydrophobicContact CG-CG 4.45Å; Q140-E167 WeakPolarHBondContact CG-OE1 3.47Å; Q140-E167 PolarHBondContact NE2-OE1 2.83Å; E167-N169 PolarHBondContact O-N 2.92Å; E167-L170 HydrophobicContact CB-CB 4.21Å; E167-L170 HydrophobicContact CB-CD1 3.99Å; E167-L170 HydrophobicContact CB-CG 4.07Å; E167-L170 HydrophobicContact CG-CD1 4.48Å; E167-L170 WeakPolarHBondContact O-CB 3.47Å; E167-L170 PolarHBondContact O-N 3.43Å; E167-L171 PolarHBondContact O-N 2.98Å
168K97.3Very high97.9Very high74 Ų7449.1 Ų49.132%0.32224%0.243SC..Hα-helixtrans-49.3-55.1-176.9176.7167-176.7-179.20113.8C166 L170 L171 E172 W186C166-K168 PolarHBondContact O-N 3.34Å; K168-L170 VanDerWaalsContact C-N 3.25Å; K168-L170 PolarHBondContact O-N 3.3Å; K168-L171 PolarHBondContact O-N 3.36Å; K168-E172 WeakPolarHBondContact CE-OE1 3.32Å; K168-E172 WeakPolarHBondContact CG-OE1 3.42Å; K168-E172 WeakPolarHBondContact O-CG 3.24Å; K168-E172 PolarHBondContact O-N 2.82Å; K168-W186 VanDerWaalsContact CA-CH2 3.43Å; K168-W186 HydrophobicContact CB-CH2 3.88Å; K168-W186 HydrophobicContact CB-CZ2 3.98Å; K168-W186 HydrophobicContact CB-CZ3 4.2Å; K168-W186 HydrophobicContact CD-CD2 4.27Å; K168-W186 HydrophobicContact CD-CZ2 4.42Å; K168-W186 HydrophobicContact CG-CD2 4.3Å; K168-W186 HydrophobicContact CG-CH2 4.03Å; K168-W186 HydrophobicContact CG-CZ2 3.6Å; K168-W186 HydrophobicContact CG-CZ3 4.47Å
169N97.2Very high97.7Very high109 Ų10956.7 Ų56.758%0.58328%0.278SS*.Hα-helixtrans-65.2-28.7-178.4-65.9-16.5000112.7E167 K173E167-N169 PolarHBondContact O-N 2.92Å; N169-K173 WeakPolarHBondContact O-CB 3.41Å; N169-K173 WeakPolarHBondContact O-CD 3.24Å; N169-K173 VanDerWaalsContact O-CG 3.23Å; N169-K173 WeakPolarHBondContact O-CG 3.4Å; N169-K173 PolarHBondContact O-N 2.87Å
170L98Very high97.5Very high34 Ų3456.8 Ų56.818%0.17828%0.279CS..Hα-helixtrans-74.9-45.2177-69.3180000110.9L134 Q140 L143 E167 K168 E172 K173 V174L134-L170 HydrophobicContact CD2-CB 3.93Å; Q140-L170 HydrophobicContact CB-CD1 3.79Å; Q140-L170 HydrophobicContact CG-CD1 3.98Å; L143-L170 HydrophobicContact CD2-CD1 4.12Å; E167-L170 HydrophobicContact CB-CB 4.21Å; E167-L170 HydrophobicContact CB-CD1 3.99Å; E167-L170 HydrophobicContact CB-CG 4.07Å; E167-L170 HydrophobicContact CG-CD1 4.48Å; E167-L170 WeakPolarHBondContact O-CB 3.47Å; E167-L170 PolarHBondContact O-N 3.43Å; K168-L170 VanDerWaalsContact C-N 3.25Å; K168-L170 PolarHBondContact O-N 3.3Å; L170-E172 VanDerWaalsContact C-N 3.34Å; L170-E172 PolarHBondContact O-N 3.39Å; L170-K173 PolarHBondContact O-N 3.34Å; L170-V174 WeakPolarHBondContact O-CG2 3.21Å; L170-V174 PolarHBondContact O-N 3.48Å
171L98.5Very high97.5Very high0 Ų060.8 Ų60.80%031%0.305CS..Hα-helixtrans-61.9-43.6177.5-176.463.6000111.4L134 F157 E167 K168 K173 V174 A175 I184 W186L134-L171 HydrophobicContact CD2-CB 4.28Å; L134-L171 HydrophobicContact CD2-CD1 4.46Å; F157-L171 HydrophobicContact CB-CD2 4.11Å; F157-L171 HydrophobicContact CD1-CD1 4.03Å; F157-L171 HydrophobicContact CD1-CD2 4.34Å; F157-L171 HydrophobicContact CE1-CD1 4.04Å; F157-L171 HydrophobicContact CG-CD1 4.35Å; F157-L171 HydrophobicContact CG-CD2 4.21Å; F157-L171 HydrophobicContact CZ-CD1 4.36Å; E167-L171 PolarHBondContact O-N 2.98Å; K168-L171 PolarHBondContact O-N 3.36Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.2Å; L171-V174 PolarHBondContact O-N 3.26Å; L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.2Å; L171-A175 PolarHBondContact O-N 3.29Å; L171-I184 HydrophobicContact CD2-CD1 4.15Å; L171-I184 HydrophobicContact CD2-CG1 4.44Å; L171-I184 HydrophobicContact CD2-CG2 3.97Å; L171-I184 HydrophobicContact CG-CD1 4Å; L171-W186 HydrophobicContact CB-CH2 4.05Å; L171-W186 HydrophobicContact CB-CZ2 4.3Å; L171-W186 HydrophobicContact CD2-CH2 3.64Å; L171-W186 HydrophobicContact CD2-CZ2 3.96Å; L171-W186 HydrophobicContact CG-CH2 4.41Å
172E98.3Very high97.5Very high65 Ų6562.8 Ų62.830%0.30431%0.311SS..Hα-helixtrans-60.6-42.3177.5-71.9171.3176.900111.7K168 L170 A175 Q176 I184 W186K168-E172 WeakPolarHBondContact CE-OE1 3.32Å; K168-E172 WeakPolarHBondContact CG-OE1 3.42Å; K168-E172 WeakPolarHBondContact O-CG 3.24Å; K168-E172 PolarHBondContact O-N 2.82Å; L170-E172 VanDerWaalsContact C-N 3.34Å; L170-E172 PolarHBondContact O-N 3.39Å; E172-A175 PolarHBondContact O-N 3.41Å; E172-Q176 VanDerWaalsContact O-CG 3.3Å; E172-Q176 WeakPolarHBondContact O-CG 3.42Å; E172-Q176 PolarHBondContact O-N 3.38Å; E172-I184 HydrophobicContact CG-CD1 4.14Å; E172-W186 HydrophobicContact CG-CZ2 4.24Å; E172-W186 PolarHBondContact OE1-NE1 3.17Å
173K98Very high97.5Very high126 Ų12664.4 Ų64.455%0.54831%0.307SS..Hα-helixtrans-66-36.8175.1-75.9174.4-177.5-179.60113.3N169 L170 L171N169-K173 WeakPolarHBondContact O-CB 3.41Å; N169-K173 WeakPolarHBondContact O-CD 3.24Å; N169-K173 VanDerWaalsContact O-CG 3.23Å; N169-K173 WeakPolarHBondContact O-CG 3.4Å; N169-K173 PolarHBondContact O-N 2.87Å; L170-K173 PolarHBondContact O-N 3.34Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.2Å
174V98.1Very high97.6Very high3 Ų366.2 Ų66.22%0.01832%0.316CS..Hα-helixtrans-68.4-47175.3166.40000109.7L134 L143 D145 L148 F149 L170 L171 Q176 K177 M178L134-V174 HydrophobicContact CD1-CG1 4.43Å; L134-V174 HydrophobicContact CD1-CG2 4.29Å; L134-V174 HydrophobicContact CD2-CG2 4.29Å; L143-V174 HydrophobicContact CD1-CG2 3.97Å; D145-V174 HydrophobicContact CB-CG1 3.74Å; D145-V174 HydrophobicContact CB-CG2 4.09Å; L148-V174 HydrophobicContact CD1-CG1 3.96Å; F149-V174 HydrophobicContact CE1-CB 4.48Å; F149-V174 HydrophobicContact CE1-CG1 3.79Å; F149-V174 WeakPolarHBondContact CE1-O 3.48Å; F149-V174 HydrophobicContact CZ-CG1 4.09Å; L170-V174 WeakPolarHBondContact O-CG2 3.21Å; L170-V174 PolarHBondContact O-N 3.48Å; L171-V174 PolarHBondContact O-N 3.26Å; V174-Q176 VanDerWaalsContact C-N 3.32Å; V174-Q176 PolarHBondContact O-N 3.38Å; V174-K177 WeakPolarHBondContact O-CB 3.13Å; V174-K177 PolarHBondContact O-N 3.43Å; V174-M178 PolarHBondContact O-N 3.26Å
175A97.9Very high97.6Very high1 Ų163.2 Ų63.21%0.00830%0.302CS..Hα-helixtrans-59.5-40.9-18000000112.4L171 E172 K177 M178 H182 I184L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.2Å; L171-A175 PolarHBondContact O-N 3.29Å; E172-A175 PolarHBondContact O-N 3.41Å; A175-K177 PolarHBondContact O-N 3.42Å; A175-K177 VanDerWaalsContact O-N 3.09Å; A175-M178 HydrophobicContact CB-SD 4.42Å; A175-M178 WeakPolarHBondContact O-CB 3.32Å; A175-M178 PolarHBondContact O-N 2.89Å; A175-H182 PolarHBondContact O-CE1 3.33Å; A175-H182 PolarHBondContact O-ND1 3.19Å; A175-H182 PolarHBondContact O-NE2 3.39Å; A175-I184 HydrophobicContact CB-CD1 3.86Å
176Q97.5Very high97.6Very high155 Ų15563.6 Ų63.672%0.72430%0.302SS*.THydrogen-bonded Turntrans-58.7-21.8174-76.3173.7-6.800114.7E172 V174E172-Q176 VanDerWaalsContact O-CG 3.3Å; E172-Q176 WeakPolarHBondContact O-CG 3.42Å; E172-Q176 PolarHBondContact O-N 3.38Å; V174-Q176 VanDerWaalsContact C-N 3.32Å; V174-Q176 PolarHBondContact O-N 3.38Å
177K97.7Very high97.7Very high146 Ų14663.6 Ų63.664%0.63530%0.302SS*.THydrogen-bonded Turntrans-95.3-7.5177.3-62.7173.8-177.4-178.50113.1F149 V174 A175F149-K177 HydrophobicContact CD1-CB 4.05Å; F149-K177 HydrophobicContact CE1-CB 3.6Å; F149-K177 HydrophobicContact CE1-CD 4.27Å; F149-K177 HydrophobicContact CZ-CB 4.3Å; F149-K177 HydrophobicContact CZ-CD 4.17Å; V174-K177 WeakPolarHBondContact O-CB 3.13Å; V174-K177 PolarHBondContact O-N 3.43Å; A175-K177 PolarHBondContact O-N 3.42Å; A175-K177 VanDerWaalsContact O-N 3.09Å
178M97.9Very high97.7Very high15 Ų1564.7 Ų64.77%0.07431%0.307CS..  trans-72142.3177.9-66.7174.457.300110.5L148 F149 L151 V155 F157 V174 A175 A180 H182L148-M178 HydrophobicContact CB-CE 4.45Å; L148-M178 HydrophobicContact CB-CG 4.37Å; L148-M178 HydrophobicContact CB-SD 4.18Å; F149-M178 HydrophobicContact CD1-CG 4.27Å; L151-M178 HydrophobicContact CD1-CE 4.38Å; V155-M178 HydrophobicContact CB-CE 3.98Å; V155-M178 HydrophobicContact CG1-CE 4.28Å; V155-M178 HydrophobicContact CG2-CE 3.7Å; F157-M178 HydrophobicContact CE2-CE 4.14Å; F157-M178 HydrophobicContact CE2-SD 3.85Å; F157-M178 HydrophobicContact CZ-CE 4.32Å; F157-M178 HydrophobicContact CZ-SD 4.03Å; V174-M178 PolarHBondContact O-N 3.26Å; A175-M178 HydrophobicContact CB-SD 4.42Å; A175-M178 WeakPolarHBondContact O-CB 3.32Å; A175-M178 PolarHBondContact O-N 2.89Å; M178-A180 HydrophobicContact CE-CB 4.29Å; M178-H182 HydrophobicContact CE-CB 4.44Å
179Q94.7Very high97.7Very high160 Ų16068.4 Ų68.475%0.74832%0.323SS*.SBendtrans-79.6-36.3172.4-67.4176.866.700111.6F149F149-Q179 PolarHBondContact O-NE2 2.79Å
180A95.6Very high97.8Very high2 Ų263.2 Ų63.22%0.01730%0.295CS..SBendtrans-59.2142.1175.600000112.7L151 E153 V155 M178 H182L151-A180 HydrophobicContact CB-CB 4.1Å; L151-A180 WeakPolarHBondContact O-CB 3.45Å; L151-A180 PolarHBondContact O-N 2.94Å; E153-A180 VanDerWaalsContact O-CB 3.22Å; E153-A180 WeakPolarHBondContact O-CB 3.37Å; V155-A180 HydrophobicContact CG2-CB 4.12Å; M178-A180 HydrophobicContact CE-CB 4.29Å; A180-H182 PolarHBondContact O-N 3.13Å; A180-H182 PolarHBondContact O-ND1 2.97Å
181P96.8Very high97.7Very high83 Ų8364.2 Ų64.254%0.53930%0.301SS..  trans-54.2132163.1-21.432.7000109.7P154 V155P154-P181 CarbonylContact C-O 3.54Å; P154-P181 WeakPolarHBondContact CA-O 3.29Å; V155-P181 PolarHBondContact N-O 2.83Å
182H98.1Very high97.6Very high72 Ų7264.9 Ų64.933%0.33330%0.304SS..EExtended strand (participates in β ladder)trans-136.7150.2-17660.5-90.4000112.3V155 A175 M178 A180V155-H182 CarbonylContact O-C 3.55Å; V155-H182 VanDerWaalsContact O-CA 3.24Å; V155-H182 WeakPolarHBondContact O-CA 3.45Å; A175-H182 PolarHBondContact O-CE1 3.33Å; A175-H182 PolarHBondContact O-ND1 3.19Å; A175-H182 PolarHBondContact O-NE2 3.39Å; M178-H182 HydrophobicContact CE-CB 4.44Å; A180-H182 PolarHBondContact O-N 3.13Å; A180-H182 PolarHBondContact O-ND1 2.97Å
183K98.4Very high97.4Very high91 Ų9165.5 Ų65.540%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-132.1147.1167-64.4-165.5-174.9-175.60109.9V155 L156 F157 E218V155-K183 PolarHBondContact O-N 2.88Å; L156-K183 HydrophobicContact CD1-CB 3.99Å; F157-K183 PolarHBondContact N-O 3.24Å; K183-E218 IonicContact NZ-OE1 2.8Å; K183-E218 PolarHBondContact NZ-OE1 3.37Å; K183-E218 IonicContact NZ-OE2 2.75Å; K183-E218 PolarHBondContact NZ-OE2 2.96Å
184I98.6Very high97.3Very high44 Ų4460.1 Ų60.123%0.22629%0.293CS..EExtended strand (participates in β ladder)trans-123117.8173.5-52.5171.3000108F157 L171 E172 A175 W186F157-I184 HydrophobicContact CB-CB 4.44Å; F157-I184 HydrophobicContact CB-CG1 4.2Å; F157-I184 HydrophobicContact CB-CG2 4.18Å; F157-I184 HydrophobicContact CD2-CG1 4.16Å; F157-I184 CarbonylContact O-C 3.59Å; F157-I184 WeakPolarHBondContact O-CA 3.44Å; L171-I184 HydrophobicContact CD2-CD1 4.15Å; L171-I184 HydrophobicContact CD2-CG1 4.44Å; L171-I184 HydrophobicContact CD2-CG2 3.97Å; L171-I184 HydrophobicContact CG-CD1 4Å; E172-I184 HydrophobicContact CG-CD1 4.14Å; A175-I184 HydrophobicContact CB-CD1 3.86Å; I184-W186 HydrophobicContact CG2-CD2 3.97Å; I184-W186 VanDerWaalsContact CG2-CE2 3.43Å; I184-W186 HydrophobicContact CG2-CG 4.32Å; I184-W186 HydrophobicContact CG2-CH2 4.3Å; I184-W186 HydrophobicContact CG2-CZ2 3.62Å
185H98.6Very high97.2Very high36 Ų3662.5 Ų62.517%0.16731%0.313CS..EExtended strand (participates in β ladder)trans-98.4115.5168.4-173.569.9000109.7F157 V158 S159 I187 E207F157-H185 PolarHBondContact O-N 3.22Å; V158-H185 WeakPolarHBondContact CA-O 3.31Å; V158-H185 HydrophobicContact CG2-CB 4.44Å; S159-H185 PolarHBondContact N-O 2.88Å; H185-I187 VanDerWaalsContact CD2-CD1 3.49Å; H185-I187 WeakPolarHBondContact CD2-CD1 3.48Å; H185-I187 WeakPolarHBondContact NE2-CD1 3.27Å; H185-E207 IonicContact CD2-OE1 2.66Å; H185-E207 IonicContact CE1-OE1 2.65Å; H185-E207 PolarHBondContact CE1-OE1 3.29Å; H185-E207 IonicContact NE2-OE1 3.73Å; H185-E207 PolarHBondContact NE2-OE1 2.65Å
186W98.5Very high97.2Very high41 Ų4163.2 Ų63.216%0.15532%0.317CS..EExtended strand (participates in β ladder)trans-91.2119.6178.9-70.2111.8000111S159 G160 K168 L171 E172 I184 E188S159-W186 CarbonylContact O-C 3.55Å; S159-W186 WeakPolarHBondContact O-CA 3.38Å; G160-W186 WeakPolarHBondContact O-CZ3 3.4Å; K168-W186 VanDerWaalsContact CA-CH2 3.43Å; K168-W186 HydrophobicContact CB-CH2 3.88Å; K168-W186 HydrophobicContact CB-CZ2 3.98Å; K168-W186 HydrophobicContact CB-CZ3 4.2Å; K168-W186 HydrophobicContact CD-CD2 4.27Å; K168-W186 HydrophobicContact CD-CZ2 4.42Å; K168-W186 HydrophobicContact CG-CD2 4.3Å; K168-W186 HydrophobicContact CG-CH2 4.03Å; K168-W186 HydrophobicContact CG-CZ2 3.6Å; K168-W186 HydrophobicContact CG-CZ3 4.47Å; L171-W186 HydrophobicContact CB-CH2 4.05Å; L171-W186 HydrophobicContact CB-CZ2 4.3Å; L171-W186 HydrophobicContact CD2-CH2 3.64Å; L171-W186 HydrophobicContact CD2-CZ2 3.96Å; L171-W186 HydrophobicContact CG-CH2 4.41Å; E172-W186 HydrophobicContact CG-CZ2 4.24Å; E172-W186 PolarHBondContact OE1-NE1 3.17Å; I184-W186 HydrophobicContact CG2-CD2 3.97Å; I184-W186 VanDerWaalsContact CG2-CE2 3.43Å; I184-W186 HydrophobicContact CG2-CG 4.32Å; I184-W186 HydrophobicContact CG2-CH2 4.3Å; I184-W186 HydrophobicContact CG2-CZ2 3.62Å; W186-E188 PolarHBondContact O-N 3.28Å
187I98.3Very high97Very high0 Ų065.9 Ų65.90%033%0.326CS..EExtended strand (participates in β ladder)trans-83104.5164.8-50.5-60.8000107.7V158 S159 G160 S161 H185 K189 A190 M194 V196 V204 E207 I208V158-I187 HydrophobicContact CG1-CD1 4.37Å; V158-I187 HydrophobicContact CG1-CG1 4.18Å; S159-I187 PolarHBondContact O-N 2.83Å; G160-I187 WeakPolarHBondContact CA-O 3.43Å; S161-I187 PolarHBondContact N-O 2.88Å; H185-I187 VanDerWaalsContact CD2-CD1 3.49Å; H185-I187 WeakPolarHBondContact CD2-CD1 3.48Å; H185-I187 WeakPolarHBondContact NE2-CD1 3.27Å; I187-K189 PolarHBondContact O-N 3.42Å; I187-A190 HydrophobicContact CB-CB 3.73Å; I187-A190 HydrophobicContact CG2-CB 3.55Å; I187-A190 WeakPolarHBondContact O-CB 3.44Å; I187-A190 PolarHBondContact O-N 3.36Å; I187-A190 VanDerWaalsContact O-N 3.15Å; I187-M194 HydrophobicContact CB-SD 4.28Å; I187-M194 HydrophobicContact CG1-SD 3.94Å; I187-V196 HydrophobicContact CG2-CG2 3.86Å; I187-V204 HydrophobicContact CG2-CG1 3.91Å; I187-E207 HydrophobicContact CD1-CG 4.05Å; I187-E207 VanDerWaalsContact CD1-OE1 3.3Å; I187-E207 WeakPolarHBondContact CD1-OE1 3.12Å; I187-I208 HydrophobicContact CD1-CG1 3.72Å; I187-I208 HydrophobicContact CG1-CD1 4.38Å; I187-I208 HydrophobicContact CG1-CG1 4.06Å
188E97.9Very high96.9Very high102 Ų10263 Ų6348%0.47734%0.338SS..THydrogen-bonded Turntrans-60.4131-174.6-168.650.9-115.500111.7S161 W186 A190S161-E188 VanDerWaalsContact OG-CD 3.31Å; S161-E188 PolarHBondContact OG-OE1 3.43Å; W186-E188 PolarHBondContact O-N 3.28Å; E188-A190 PolarHBondContact O-N 3.36Å
189K97.6Very high96.8Very high151 Ų15166.6 Ų66.666%0.65735%0.351SS*.THydrogen-bonded Turntrans61.79.8-176.3-59.7169.1-176.3175.70115.8S161 I187 V196S161-K189 PolarHBondContact OG-N 3.02Å; I187-K189 PolarHBondContact O-N 3.42Å; K189-V196 HydrophobicContact CB-CG1 4.18Å
190A98Very high96.9Very high0 Ų061.6 Ų61.60%033%0.333CS..  trans-75.4140.4175.300000111.9G160 A162 D163 I187 E188 M194 A195 V196G160-A190 CarbonylContact C-O 3.29Å; G160-A190 VanDerWaalsContact C-O 3.29Å; G160-A190 VanDerWaalsContact CA-O 3.22Å; G160-A190 WeakPolarHBondContact CA-O 3.31Å; A162-A190 CarbonylContact C-O 3.25Å; A162-A190 VanDerWaalsContact C-O 3.25Å; A162-A190 WeakPolarHBondContact CA-O 3.22Å; A162-A190 WeakPolarHBondContact CB-O 3.48Å; A162-A190 PolarHBondContact N-O 2.92Å; D163-A190 PolarHBondContact N-O 3.35Å; I187-A190 HydrophobicContact CB-CB 3.73Å; I187-A190 HydrophobicContact CG2-CB 3.55Å; I187-A190 WeakPolarHBondContact O-CB 3.44Å; I187-A190 PolarHBondContact O-N 3.36Å; I187-A190 VanDerWaalsContact O-N 3.15Å; E188-A190 PolarHBondContact O-N 3.36Å; A190-M194 HydrophobicContact CB-SD 4.19Å; A190-A195 WeakPolarHBondContact CA-O 3.45Å; A190-V196 HydrophobicContact CB-CG2 3.62Å
191N96.8Very high96.9Very high56 Ų5665.6 Ų65.630%0.29936%0.358SS..  trans-87.2-173.1168.267.812.3000111.9S193 M194 A195N191-S193 PolarHBondContact O-N 2.92Å; N191-S193 WeakPolarHBondContact OD1-CA 3.32Å; N191-S193 PolarHBondContact OD1-N 3.48Å; N191-M194 PolarHBondContact O-N 3.05Å; N191-M194 PolarHBondContact OD1-N 3.36Å; N191-A195 PolarHBondContact N-O 3.27Å; N191-A195 PolarHBondContact OD1-N 2.9Å; N191-A195 VanDerWaalsContact OD1-N 3.11Å
192H96.3Very high96.9Very high13 Ų1367.6 Ų67.66%0.0636%0.363CS..THydrogen-bonded Turntrans-60-20-179.9-16265.1000115.1R101 S102 S131 D163 E164 M165 M194R101-H192 PolarHBondContact NH2-O 2.99Å; S102-H192 WeakPolarHBondContact CB-NE2 3.35Å; S102-H192 PolarHBondContact OG-NE2 2.86Å; S131-H192 PolarHBondContact O-CE1 3.34Å; S131-H192 PolarHBondContact OG-O 3.13Å; D163-H192 VanDerWaalsContact CG-ND1 3.27Å; D163-H192 WeakPolarHBondContact OD1-CB 3.2Å; D163-H192 IonicContact OD1-CG 3.96Å; D163-H192 IonicContact OD1-ND1 2.7Å; D163-H192 PolarHBondContact OD1-ND1 3.47Å; D163-H192 WeakPolarHBondContact OD2-CA 3.48Å; D163-H192 IonicContact OD2-CE1 2.91Å; D163-H192 IonicContact OD2-CG 2.72Å; D163-H192 IonicContact OD2-ND1 3.17Å; D163-H192 PolarHBondContact OD2-ND1 3.06Å; E164-H192 PolarHBondContact OE2-N 2.76Å; M165-H192 VanDerWaalsContact SD-CD2 3.59Å; H192-M194 VanDerWaalsContact C-N 3.34Å
193S95Very high96.9Very high79 Ų7968.2 Ų68.255%0.55237%0.369SS*.THydrogen-bonded Turntrans-937.8175.9-61.50000113.6N191 A195N191-S193 PolarHBondContact O-N 2.92Å; N191-S193 WeakPolarHBondContact OD1-CA 3.32Å; N191-S193 PolarHBondContact OD1-N 3.48Å; S193-A195 PolarHBondContact O-N 3.49Å
194M96Very high96.9Very high12 Ų1264 Ų646%0.05935%0.351CS..  trans60.324.3-174.4-61.8-66.5174.400113.1I130 S131 V158 I187 A190 N191 H192 V204 I208I130-M194 HydrophobicContact CG2-CE 4.37Å; S131-M194 WeakPolarHBondContact OG-CE 3.34Å; V158-M194 HydrophobicContact CG1-CE 4.47Å; V158-M194 WeakPolarHBondContact O-CE 3.47Å; I187-M194 HydrophobicContact CB-SD 4.28Å; I187-M194 HydrophobicContact CG1-SD 3.94Å; A190-M194 HydrophobicContact CB-SD 4.19Å; N191-M194 PolarHBondContact O-N 3.05Å; N191-M194 PolarHBondContact OD1-N 3.36Å; H192-M194 VanDerWaalsContact C-N 3.34Å; M194-V204 HydrophobicContact CB-CG1 4.25Å; M194-V204 WeakPolarHBondContact O-CG1 3.28Å; M194-I208 HydrophobicContact CB-CD1 4.15Å; M194-I208 HydrophobicContact CG-CD1 3.95Å; M194-I208 HydrophobicContact SD-CD1 4.17Å
195A95.8Very high96.8Very high53 Ų5363 Ų6344%0.43835%0.345SS..  trans-85.9129.3175.800000110.1A190 N191 S193A190-A195 WeakPolarHBondContact CA-O 3.45Å; N191-A195 PolarHBondContact N-O 3.27Å; N191-A195 PolarHBondContact OD1-N 2.9Å; N191-A195 VanDerWaalsContact OD1-N 3.11Å; S193-A195 PolarHBondContact O-N 3.49Å
196V96.6Very high96.8Very high16 Ų1667.9 Ų67.910%0.09737%0.366CS..  trans-122123.6178.3-177.10000109I187 K189 A190 G198 R199 V204I187-V196 HydrophobicContact CG2-CG2 3.86Å; K189-V196 HydrophobicContact CB-CG1 4.18Å; A190-V196 HydrophobicContact CB-CG2 3.62Å; V196-G198 PolarHBondContact O-N 3.2Å; V196-R199 HydrophobicContact CB-CB 4.12Å; V196-R199 HydrophobicContact CB-CG 4.34Å; V196-R199 HydrophobicContact CG1-CB 4.29Å; V196-R199 HydrophobicContact CG1-CG 3.98Å; V196-R199 PolarHBondContact O-N 3.37Å; V196-V204 HydrophobicContact CB-CG2 4.29Å; V196-V204 HydrophobicContact CG2-CG2 3.93Å
197K93.5Very high96.8Very high212 Ų21268.1 Ų68.192%0.92237%0.369SS*.THydrogen-bonded Turntrans-60.7123.9176.6-173.9178.8179.8-179.70109.9
198G95.6Very high96.8Very high85 Ų8568.5 Ų68.588%0.87637%0.371SS*.THydrogen-bonded Turntrans86.82177.900000115.5V196V196-G198 PolarHBondContact O-N 3.2Å
199R96.7Very high96.8Very high91 Ų9164 Ų6434%0.34335%0.35SS..SBendtrans-114145.8169.2-63.8-178.162.8-172.2-1.6110.3V196 D203 V204 E207V196-R199 HydrophobicContact CB-CB 4.12Å; V196-R199 HydrophobicContact CB-CG 4.34Å; V196-R199 HydrophobicContact CG1-CB 4.29Å; V196-R199 HydrophobicContact CG1-CG 3.98Å; V196-R199 PolarHBondContact O-N 3.37Å; R199-D203 PolarHBondContact NH2-O 3.25Å; R199-V204 HydrophobicContact CB-CG2 4.11Å; R199-E207 IonicContact CZ-OE2 2.61Å; R199-E207 IonicContact NH1-OE2 3.59Å; R199-E207 PolarHBondContact NH1-OE2 2.91Å; R199-E207 IonicContact NH2-OE2 3.09Å; R199-E207 PolarHBondContact NH2-OE2 3.07Å
200S96.6Very high96.9Very high54 Ų5458.4 Ų58.438%0.37833%0.329SS..  trans-70.8149.5172.2820000110.4N202 D203 V204S200-N202 PolarHBondContact O-N 2.83Å; S200-D203 WeakPolarHBondContact CB-OD2 3.46Å; S200-D203 PolarHBondContact O-N 3.5Å; S200-D203 PolarHBondContact OG-N 3.46Å; S200-D203 VanDerWaalsContact OG-N 3.07Å; S200-D203 PolarHBondContact OG-OD2 3.46Å; S200-V204 PolarHBondContact O-N 2.93Å
201T95.7Very high96.9Very high87 Ų8761.8 Ų61.853%0.53434%0.344SS..Hα-helixtrans-57.2-36.2173.5-57.40000111.8V204 F205T201-V204 PolarHBondContact O-N 3.17Å; T201-F205 HydrophobicContact CG2-CD1 4.13Å; T201-F205 HydrophobicContact CG2-CD2 4.06Å; T201-F205 HydrophobicContact CG2-CE1 3.56Å; T201-F205 HydrophobicContact CG2-CE2 3.51Å; T201-F205 HydrophobicContact CG2-CG 4.35Å; T201-F205 HydrophobicContact CG2-CZ 3.22Å; T201-F205 WeakPolarHBondContact O-CB 3.34Å; T201-F205 WeakPolarHBondContact O-CD1 3.46Å; T201-F205 VanDerWaalsContact O-CG 3.26Å; T201-F205 WeakPolarHBondContact O-CG 3.46Å; T201-F205 PolarHBondContact O-N 3.28Å
202N96.4Very high97Very high124 Ų12459.1 Ų59.166%0.66333%0.33SS*.Hα-helixtrans-66.5-38.4178.9-72.1-16.2000112.4S200 F205 K206S200-N202 PolarHBondContact O-N 2.83Å; N202-F205 PolarHBondContact O-N 3.24Å; N202-K206 WeakPolarHBondContact O-CB 3.35Å; N202-K206 PolarHBondContact O-N 3.49Å
203D97.4Very high97.1Very high85 Ų8558.8 Ų58.846%0.45533%0.329SS..Hα-helixtrans-66.7-40.3177-63.4-41.7000111.5R199 S200 K206 E207R199-D203 PolarHBondContact NH2-O 3.25Å; S200-D203 WeakPolarHBondContact CB-OD2 3.46Å; S200-D203 PolarHBondContact O-N 3.5Å; S200-D203 PolarHBondContact OG-N 3.46Å; S200-D203 VanDerWaalsContact OG-N 3.07Å; S200-D203 PolarHBondContact OG-OD2 3.46Å; D203-K206 PolarHBondContact O-N 3.44Å; D203-E207 PolarHBondContact O-N 3.33Å
204V98.1Very high97.2Very high2 Ų260.4 Ų60.41%0.01233%0.326CS..Hα-helixtrans-65.8-44.1175.4178.90000110.4I187 M194 V196 R199 S200 T201 K206 E207 I208I187-V204 HydrophobicContact CG2-CG1 3.91Å; M194-V204 HydrophobicContact CB-CG1 4.25Å; M194-V204 WeakPolarHBondContact O-CG1 3.28Å; V196-V204 HydrophobicContact CB-CG2 4.29Å; V196-V204 HydrophobicContact CG2-CG2 3.93Å; R199-V204 HydrophobicContact CB-CG2 4.11Å; S200-V204 PolarHBondContact O-N 2.93Å; T201-V204 PolarHBondContact O-N 3.17Å; V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 3.34Å; V204-E207 PolarHBondContact O-N 2.75Å; V204-I208 HydrophobicContact CG1-CD1 3.83Å; V204-I208 HydrophobicContact CG1-CG1 4.41Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.43Å; V204-I208 PolarHBondContact O-N 3.4Å
205F98Very high97.4Very high23 Ų2360.4 Ų60.410%0.10133%0.325CS..Hα-helixtrans-62.2-41.6175.8-69.7-3000112P45 H46 T201 N202 E207 I208 N209P45-F205 HydrophobicContact CB-CE2 3.88Å; P45-F205 HydrophobicContact CB-CZ 4.36Å; H46-F205 HydrophobicContact CB-CD1 4.04Å; H46-F205 HydrophobicContact CB-CE1 3.51Å; H46-F205 HydrophobicContact CB-CE2 4.1Å; H46-F205 HydrophobicContact CB-CZ 3.54Å; T201-F205 HydrophobicContact CG2-CD1 4.13Å; T201-F205 HydrophobicContact CG2-CD2 4.06Å; T201-F205 HydrophobicContact CG2-CE1 3.56Å; T201-F205 HydrophobicContact CG2-CE2 3.51Å; T201-F205 HydrophobicContact CG2-CG 4.35Å; T201-F205 HydrophobicContact CG2-CZ 3.22Å; T201-F205 WeakPolarHBondContact O-CB 3.34Å; T201-F205 WeakPolarHBondContact O-CD1 3.46Å; T201-F205 VanDerWaalsContact O-CG 3.26Å; T201-F205 WeakPolarHBondContact O-CG 3.46Å; T201-F205 PolarHBondContact O-N 3.28Å; N202-F205 PolarHBondContact O-N 3.24Å; F205-E207 PolarHBondContact O-N 2.98Å; F205-I208 PolarHBondContact O-N 3.15Å; F205-N209 VanDerWaalsContact O-CB 3.28Å; F205-N209 WeakPolarHBondContact O-CB 3.22Å; F205-N209 PolarHBondContact O-N 2.81Å; F205-N209 PolarHBondContact O-ND2 3.07Å; F205-N209 PolarHBondContact O-OD1 2.8Å
206K98.1Very high97.4Very high140 Ų14057.9 Ų57.961%0.60930%0.304SS*.Hα-helixtrans-59.5-46.7176.9-175.3179.2178.4-177.60111.2N202 D203 V204 N209 T210N202-K206 WeakPolarHBondContact O-CB 3.35Å; N202-K206 PolarHBondContact O-N 3.49Å; D203-K206 PolarHBondContact O-N 3.44Å; V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 3.34Å; K206-N209 PolarHBondContact O-N 3.17Å; K206-T210 WeakPolarHBondContact O-CB 3.03Å; K206-T210 PolarHBondContact O-N 3.4Å; K206-T210 PolarHBondContact O-OG1 3.06Å; K206-T210 VanDerWaalsContact O-OG1 3.05Å
207E98.5Very high97.4Very high45 Ų4559.8 Ų59.821%0.2131%0.313CS..Hα-helixtrans-58.3-51.8175.8-176.2-176.9156.400111.6H185 I187 R199 D203 V204 F205 N209 T210 Q211H185-E207 IonicContact CD2-OE1 2.66Å; H185-E207 IonicContact CE1-OE1 2.65Å; H185-E207 PolarHBondContact CE1-OE1 3.29Å; H185-E207 IonicContact NE2-OE1 3.73Å; H185-E207 PolarHBondContact NE2-OE1 2.65Å; I187-E207 HydrophobicContact CD1-CG 4.05Å; I187-E207 VanDerWaalsContact CD1-OE1 3.3Å; I187-E207 WeakPolarHBondContact CD1-OE1 3.12Å; R199-E207 IonicContact CZ-OE2 2.61Å; R199-E207 IonicContact NH1-OE2 3.59Å; R199-E207 PolarHBondContact NH1-OE2 2.91Å; R199-E207 IonicContact NH2-OE2 3.09Å; R199-E207 PolarHBondContact NH2-OE2 3.07Å; D203-E207 PolarHBondContact O-N 3.33Å; V204-E207 PolarHBondContact O-N 2.75Å; F205-E207 PolarHBondContact O-N 2.98Å; E207-N209 VanDerWaalsContact C-N 3.34Å; E207-N209 PolarHBondContact O-N 3.22Å; E207-T210 PolarHBondContact O-N 3.29Å; E207-Q211 VanDerWaalsContact O-CG 3.29Å; E207-Q211 WeakPolarHBondContact O-CG 3.37Å; E207-Q211 PolarHBondContact O-N 2.66Å
208I98.5Very high97.5Very high8 Ų853.5 Ų53.54%0.04129%0.286CS..Hα-helixtrans-56.1-49178.3-67.9170.9000110.8V158 I187 M194 V204 F205 T210 Q211 I212V158-I208 HydrophobicContact CG1-CB 4.45Å; V158-I208 HydrophobicContact CG1-CG1 3.87Å; V158-I208 HydrophobicContact CG1-CG2 4.15Å; I187-I208 HydrophobicContact CD1-CG1 3.72Å; I187-I208 HydrophobicContact CG1-CD1 4.38Å; I187-I208 HydrophobicContact CG1-CG1 4.06Å; M194-I208 HydrophobicContact CB-CD1 4.15Å; M194-I208 HydrophobicContact CG-CD1 3.95Å; M194-I208 HydrophobicContact SD-CD1 4.17Å; V204-I208 HydrophobicContact CG1-CD1 3.83Å; V204-I208 HydrophobicContact CG1-CG1 4.41Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.43Å; V204-I208 PolarHBondContact O-N 3.4Å; F205-I208 PolarHBondContact O-N 3.15Å; I208-T210 PolarHBondContact O-N 3.28Å; I208-Q211 PolarHBondContact O-N 3.07Å; I208-I212 HydrophobicContact CG2-CD1 3.67Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.38Å
209N98.7Very high97.5Very high7 Ų750.3 Ų50.34%0.03725%0.249CC..Hα-helixtrans-63.2-43.6-177.4-66.7-7.1000112S49 L50 H53 F205 K206 E207 I212 L213S49-N209 PolarHBondContact O-ND2 3.3Å; S49-N209 PolarHBondContact OG-ND2 3.4Å; L50-N209 VanDerWaalsContact CA-OD1 3.28Å; L50-N209 WeakPolarHBondContact CA-OD1 3.37Å; L50-N209 WeakPolarHBondContact CB-OD1 3.39Å; L50-N209 HydrophobicContact CD1-CB 4.29Å; H53-N209 HydrophobicContact CB-CB 4Å; F205-N209 VanDerWaalsContact O-CB 3.28Å; F205-N209 WeakPolarHBondContact O-CB 3.22Å; F205-N209 PolarHBondContact O-N 2.81Å; F205-N209 PolarHBondContact O-ND2 3.07Å; F205-N209 PolarHBondContact O-OD1 2.8Å; K206-N209 PolarHBondContact O-N 3.17Å; E207-N209 VanDerWaalsContact C-N 3.34Å; E207-N209 PolarHBondContact O-N 3.22Å; N209-I212 PolarHBondContact O-N 2.91Å; N209-L213 WeakPolarHBondContact O-CB 3.15Å; N209-L213 PolarHBondContact O-N 2.97Å
210T98.5Very high97.3Very high35 Ų3546.3 Ų46.322%0.21524%0.235CC..Hα-helixtrans-64.2-43.3178.7-65.60000111.5K206 E207 I208 L213 F214K206-T210 WeakPolarHBondContact O-CB 3.03Å; K206-T210 PolarHBondContact O-N 3.4Å; K206-T210 PolarHBondContact O-OG1 3.06Å; K206-T210 VanDerWaalsContact O-OG1 3.05Å; E207-T210 PolarHBondContact O-N 3.29Å; I208-T210 PolarHBondContact O-N 3.28Å; T210-L213 PolarHBondContact O-N 3.13Å; T210-F214 HydrophobicContact CG2-CD2 3.83Å; T210-F214 HydrophobicContact CG2-CE1 4.35Å; T210-F214 HydrophobicContact CG2-CE2 3.38Å; T210-F214 HydrophobicContact CG2-CG 4.48Å; T210-F214 HydrophobicContact CG2-CZ 3.68Å; T210-F214 WeakPolarHBondContact O-CG 3.39Å; T210-F214 PolarHBondContact O-N 3.31Å
211Q98.5Very high97Very high70 Ų7048.6 Ų48.633%0.32724%0.239SC..Hα-helixtrans-66.9-40.8179.4-65.9-62.8-25.200112.2E207 I208 W215E207-Q211 VanDerWaalsContact O-CG 3.29Å; E207-Q211 WeakPolarHBondContact O-CG 3.37Å; E207-Q211 PolarHBondContact O-N 2.66Å; I208-Q211 PolarHBondContact O-N 3.07Å; Q211-W215 WeakPolarHBondContact O-CB 3.43Å; Q211-W215 PolarHBondContact O-N 3.36Å
212I98.7Very high96.3Very high0 Ų049.6 Ų49.60%024%0.239CC..Hα-helixtrans-64.1-44.2174.9-68168.2000110.6L50 L54 I128 I130 L156 V158 I208 N209 W215 I216L50-I212 HydrophobicContact CD1-CB 4.08Å; L50-I212 HydrophobicContact CD1-CD1 3.8Å; L50-I212 HydrophobicContact CD1-CG2 4.01Å; L50-I212 HydrophobicContact CD2-CD1 3.71Å; L50-I212 HydrophobicContact CG-CD1 4.43Å; L54-I212 HydrophobicContact CD1-CG2 4.44Å; L54-I212 HydrophobicContact CD2-CG2 4.47Å; I128-I212 HydrophobicContact CD1-CG2 3.8Å; I128-I212 HydrophobicContact CG1-CG2 4.41Å; I128-I212 HydrophobicContact CG2-CD1 3.81Å; I128-I212 HydrophobicContact CG2-CG1 4.01Å; I128-I212 HydrophobicContact CG2-CG2 4.24Å; I130-I212 HydrophobicContact CD1-CD1 3.99Å; I130-I212 HydrophobicContact CG1-CD1 4.2Å; L156-I212 HydrophobicContact CD2-CB 4.35Å; L156-I212 HydrophobicContact CD2-CG1 3.8Å; V158-I212 HydrophobicContact CG2-CD1 4.26Å; V158-I212 HydrophobicContact CG2-CG1 3.99Å; I208-I212 HydrophobicContact CG2-CD1 3.67Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.38Å; N209-I212 PolarHBondContact O-N 2.91Å; I212-W215 PolarHBondContact O-N 2.88Å; I212-I216 HydrophobicContact CG2-CD1 3.7Å; I212-I216 HydrophobicContact CG2-CG1 4.36Å; I212-I216 VanDerWaalsContact O-CG1 3.26Å; I212-I216 WeakPolarHBondContact O-CG1 3.08Å; I212-I216 PolarHBondContact O-N 3.45Å
213L98.2Very high95.3Very high7 Ų744.9 Ų44.94%0.03721%0.214CC..Hα-helixtrans-59.1-50.1177.1174.264.9000111.8L54 H57 F59 N209 T210 W215 I216 Q217L54-L213 HydrophobicContact CD2-CB 4.09Å; L54-L213 HydrophobicContact CD2-CD1 4.04Å; H57-L213 HydrophobicContact CB-CD1 3.73Å; H57-L213 HydrophobicContact CB-CD2 4.18Å; F59-L213 HydrophobicContact CD2-CD1 4.09Å; F59-L213 HydrophobicContact CE2-CD1 3.58Å; N209-L213 WeakPolarHBondContact O-CB 3.15Å; N209-L213 PolarHBondContact O-N 2.97Å; T210-L213 PolarHBondContact O-N 3.13Å; L213-W215 VanDerWaalsContact C-N 3.31Å; L213-W215 PolarHBondContact O-N 2.95Å; L213-I216 PolarHBondContact O-N 3.41Å; L213-Q217 HydrophobicContact CD1-CG 4.16Å; L213-Q217 WeakPolarHBondContact O-CG 3.5Å; L213-Q217 PolarHBondContact O-N 3.41Å
214F98Very high94.3Very high113 Ų11347.9 Ų47.950%0.49622%0.223SC..Hα-helixtrans-60.7-41.8179.9-72.1-21.2000112.3T210 Q217 E218T210-F214 HydrophobicContact CG2-CD2 3.83Å; T210-F214 HydrophobicContact CG2-CE1 4.35Å; T210-F214 HydrophobicContact CG2-CE2 3.38Å; T210-F214 HydrophobicContact CG2-CG 4.48Å; T210-F214 HydrophobicContact CG2-CZ 3.68Å; T210-F214 WeakPolarHBondContact O-CG 3.39Å; T210-F214 PolarHBondContact O-N 3.31Å; F214-Q217 PolarHBondContact O-N 3.08Å; F214-E218 WeakPolarHBondContact O-CB 3.34Å; F214-E218 PolarHBondContact O-N 2.89Å
215W98.4Very high92.8Very high11 Ų1156 Ų564%0.04226%0.258CS..Hα-helixtrans-64.2-43.9176.6-179.874.4000112.3F97 I128 P154 L156 Q211 I212 L213 Q217 E218 I219F97-W215 HydrophobicContact CD1-CH2 4.04Å; F97-W215 AromaticContact CD1-CZ3 3.62Å; F97-W215 HydrophobicContact CD1-CZ3 3.62Å; F97-W215 HydrophobicContact CE1-CH2 4.16Å; F97-W215 AromaticContact CE1-CZ3 3.85Å; F97-W215 HydrophobicContact CE1-CZ3 3.85Å; I128-W215 HydrophobicContact CD1-CZ3 4.29Å; I128-W215 HydrophobicContact CG1-CE3 4.15Å; I128-W215 HydrophobicContact CG1-CH2 4.48Å; I128-W215 HydrophobicContact CG1-CZ3 3.61Å; P154-W215 HydrophobicContact CB-CH2 4.37Å; P154-W215 HydrophobicContact CB-CZ2 3.64Å; P154-W215 WeakPolarHBondContact O-CH2 3.47Å; P154-W215 WeakPolarHBondContact O-CZ2 3.4Å; L156-W215 HydrophobicContact CB-CD2 3.58Å; L156-W215 HydrophobicContact CB-CE3 3.85Å; L156-W215 HydrophobicContact CB-CG 4.02Å; L156-W215 HydrophobicContact CB-CH2 4.2Å; L156-W215 HydrophobicContact CB-CZ2 3.96Å; L156-W215 HydrophobicContact CB-CZ3 4.16Å; L156-W215 HydrophobicContact CD1-CG 4.37Å; L156-W215 HydrophobicContact CD2-CB 3.84Å; L156-W215 HydrophobicContact CD2-CD2 3.98Å; L156-W215 HydrophobicContact CD2-CE3 4.05Å; L156-W215 HydrophobicContact CD2-CG 3.89Å; L156-W215 HydrophobicContact CG-CD2 4.3Å; L156-W215 HydrophobicContact CG-CG 4.32Å; Q211-W215 WeakPolarHBondContact O-CB 3.43Å; Q211-W215 PolarHBondContact O-N 3.36Å; I212-W215 PolarHBondContact O-N 2.88Å; L213-W215 VanDerWaalsContact C-N 3.31Å; L213-W215 PolarHBondContact O-N 2.95Å; W215-Q217 VanDerWaalsContact C-N 3.31Å; W215-Q217 PolarHBondContact O-N 2.71Å; W215-E218 PolarHBondContact O-N 3.15Å; W215-I219 HydrophobicContact CD2-CG1 4.45Å; W215-I219 HydrophobicContact CZ2-CG1 4.23Å; W215-I219 WeakPolarHBondContact O-CG1 3.38Å; W215-I219 PolarHBondContact O-N 3.25Å; W215-I219 VanDerWaalsContact O-N 3.12Å
216I97.5Very high91Very high0 Ų060 Ų600%029%0.288CS..Hα-helixtrans-60.4-42.7175.2-69167.1000110.7I32 L54 F59 F97 I128 I212 L213 I219 T220I32-I216 HydrophobicContact CD1-CD1 4.26Å; I32-I216 HydrophobicContact CG1-CD1 3.94Å; L54-I216 HydrophobicContact CD1-CD1 4.18Å; L54-I216 HydrophobicContact CD2-CD1 3.76Å; F59-I216 HydrophobicContact CD1-CG2 4.03Å; F59-I216 HydrophobicContact CE1-CG2 3.32Å; F59-I216 HydrophobicContact CE2-CG2 4.17Å; F59-I216 HydrophobicContact CZ-CB 4.46Å; F59-I216 HydrophobicContact CZ-CG2 3.41Å; F59-I216 VanDerWaalsContact CZ-CG2 3.41Å; F97-I216 HydrophobicContact CD1-CG1 4.37Å; F97-I216 HydrophobicContact CD2-CG1 4.39Å; F97-I216 HydrophobicContact CD2-CG2 4.11Å; F97-I216 HydrophobicContact CE1-CG1 4.43Å; F97-I216 HydrophobicContact CE2-CG1 4.48Å; F97-I216 HydrophobicContact CE2-CG2 3.64Å; F97-I216 HydrophobicContact CG-CG1 4.35Å; F97-I216 HydrophobicContact CZ-CB 4.47Å; F97-I216 HydrophobicContact CZ-CG1 4.49Å; F97-I216 HydrophobicContact CZ-CG2 3.95Å; I128-I216 HydrophobicContact CD1-CD1 3.94Å; I128-I216 HydrophobicContact CD1-CG1 4.27Å; I212-I216 HydrophobicContact CG2-CD1 3.7Å; I212-I216 HydrophobicContact CG2-CG1 4.36Å; I212-I216 VanDerWaalsContact O-CG1 3.26Å; I212-I216 WeakPolarHBondContact O-CG1 3.08Å; I212-I216 PolarHBondContact O-N 3.45Å; L213-I216 PolarHBondContact O-N 3.41Å; I216-I219 PolarHBondContact O-N 3.12Å; I216-T220 HydrophobicContact CG2-CG2 4.28Å; I216-T220 WeakPolarHBondContact O-CB 3.45Å; I216-T220 WeakPolarHBondContact O-CG2 3.49Å; I216-T220 PolarHBondContact O-N 3.22Å; I216-T220 PolarHBondContact O-OG1 3.38Å
217Q96Very high88.7Confident57 Ų5763.8 Ų63.827%0.26631%0.308SS..Hα-helixtrans-63.2-44.3178.3-74.2175.2-38.300111.6F59 L213 F214 W215 I219 T220 E221F59-Q217 HydrophobicContact CE2-CG 4.45Å; F59-Q217 HydrophobicContact CZ-CG 4.31Å; L213-Q217 HydrophobicContact CD1-CG 4.16Å; L213-Q217 WeakPolarHBondContact O-CG 3.5Å; L213-Q217 PolarHBondContact O-N 3.41Å; F214-Q217 PolarHBondContact O-N 3.08Å; W215-Q217 VanDerWaalsContact C-N 3.31Å; W215-Q217 PolarHBondContact O-N 2.71Å; Q217-I219 PolarHBondContact O-N 3.36Å; Q217-T220 PolarHBondContact O-N 3.36Å; Q217-T220 PolarHBondContact O-OG1 3.38Å; Q217-E221 VanDerWaalsContact O-CB 3.26Å; Q217-E221 WeakPolarHBondContact O-CB 3.47Å; Q217-E221 WeakPolarHBondContact O-CG 3.36Å; Q217-E221 PolarHBondContact O-N 3.45Å
218E95.9Very high88.2Confident80 Ų8064.8 Ų64.837%0.37431%0.313SS..Hα-helixtrans-55.8-47.8175.4-177.7-177.4-179.400112K183 F214 W215 M222K183-E218 IonicContact NZ-OE1 2.8Å; K183-E218 PolarHBondContact NZ-OE1 3.37Å; K183-E218 IonicContact NZ-OE2 2.75Å; K183-E218 PolarHBondContact NZ-OE2 2.96Å; F214-E218 WeakPolarHBondContact O-CB 3.34Å; F214-E218 PolarHBondContact O-N 2.89Å; W215-E218 PolarHBondContact O-N 3.15Å; E218-M222 VanDerWaalsContact O-CG 3.32Å; E218-M222 WeakPolarHBondContact O-CG 3.3Å; E218-M222 PolarHBondContact O-N 2.84Å
219I94.6Very high87.6Confident17 Ų1767.7 Ų67.79%0.08733%0.327CS..Hα-helixtrans-64.4-48.2178.1-60.3-51.1000111.1F97 P154 W215 I216 Q217 E221 M222 D223F97-I219 HydrophobicContact CE1-CB 4.21Å; F97-I219 HydrophobicContact CE1-CG1 4.49Å; F97-I219 HydrophobicContact CE1-CG2 4.07Å; F97-I219 HydrophobicContact CZ-CB 4.15Å; F97-I219 HydrophobicContact CZ-CG2 4Å; P154-I219 HydrophobicContact CB-CD1 3.75Å; P154-I219 HydrophobicContact CB-CG1 4.24Å; P154-I219 HydrophobicContact CG-CD1 3.78Å; P154-I219 HydrophobicContact CG-CG1 4.44Å; W215-I219 HydrophobicContact CD2-CG1 4.45Å; W215-I219 HydrophobicContact CZ2-CG1 4.23Å; W215-I219 WeakPolarHBondContact O-CG1 3.38Å; W215-I219 PolarHBondContact O-N 3.25Å; W215-I219 VanDerWaalsContact O-N 3.12Å; I216-I219 PolarHBondContact O-N 3.12Å; Q217-I219 PolarHBondContact O-N 3.36Å; I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 PolarHBondContact O-N 3.42Å; I219-M222 WeakPolarHBondContact O-CB 3.12Å; I219-M222 PolarHBondContact O-N 2.83Å; I219-D223 PolarHBondContact O-N 2.93Å
220T92.3Very high87Confident8 Ų871.1 Ų71.15%0.04934%0.343CS..Hα-helixtrans-73.2-21-175.957.20000114.1Y30 F97 I216 Q217Y30-T220 HydrophobicContact CD1-CG2 4.18Å; Y30-T220 HydrophobicContact CD2-CG2 3.39Å; Y30-T220 HydrophobicContact CE1-CG2 4.26Å; Y30-T220 HydrophobicContact CE2-CG2 3.45Å; Y30-T220 VanDerWaalsContact CE2-CG2 3.45Å; Y30-T220 HydrophobicContact CG-CG2 3.77Å; F97-T220 HydrophobicContact CE2-CG2 3.82Å; F97-T220 HydrophobicContact CZ-CG2 3.83Å; I216-T220 HydrophobicContact CG2-CG2 4.28Å; I216-T220 WeakPolarHBondContact O-CB 3.45Å; I216-T220 WeakPolarHBondContact O-CG2 3.49Å; I216-T220 PolarHBondContact O-N 3.22Å; I216-T220 PolarHBondContact O-OG1 3.38Å; Q217-T220 PolarHBondContact O-N 3.36Å; Q217-T220 PolarHBondContact O-OG1 3.38Å
221E90.2Very high86.3Confident101 Ų10173.2 Ų73.247%0.47235%0.35SS..Hα-helixtrans-76-32.6170.8-77.3176.8-171.400112.3Q217 I219 D223 K224 K225Q217-E221 VanDerWaalsContact O-CB 3.26Å; Q217-E221 WeakPolarHBondContact O-CB 3.47Å; Q217-E221 WeakPolarHBondContact O-CG 3.36Å; Q217-E221 PolarHBondContact O-N 3.45Å; I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 PolarHBondContact O-N 3.42Å; E221-D223 VanDerWaalsContact C-N 3.3Å; E221-K224 PolarHBondContact O-N 3.34Å; E221-K225 PolarHBondContact O-N 3.48Å
222M82.1Confident85.6Confident108 Ų10873.4 Ų73.453%0.53235%0.352SS..Hα-helixtrans-63.1-39.1173.4-70.2173.46600111E218 I219 K224 K225 C226E218-M222 VanDerWaalsContact O-CG 3.32Å; E218-M222 WeakPolarHBondContact O-CG 3.3Å; E218-M222 PolarHBondContact O-N 2.84Å; I219-M222 WeakPolarHBondContact O-CB 3.12Å; I219-M222 PolarHBondContact O-N 2.83Å; M222-K224 VanDerWaalsContact C-N 3.33Å; M222-K224 PolarHBondContact O-N 3.25Å; M222-K225 PolarHBondContact O-N 2.96Å; M222-C226 PolarHBondContact O-N 3.19Å
223D76Confident84.7Confident25 Ų2578.3 Ų78.313%0.13438%0.375CS..Hα-helixtrans-61.2-41.1178.1-57.4-26.6000113.2Y30 R125 I219 E221 K225 C226 H227Y30-D223 PolarHBondContact OH-OD2 2.75Å; Y30-D223 VanDerWaalsContact OH-OD2 3.07Å; R125-D223 IonicContact CZ-OD1 2.94Å; R125-D223 IonicContact CZ-OD2 2.83Å; R125-D223 VanDerWaalsContact NH1-CG 3.29Å; R125-D223 IonicContact NH1-OD1 3.49Å; R125-D223 IonicContact NH1-OD2 3.71Å; R125-D223 PolarHBondContact NH1-OD2 3.26Å; R125-D223 IonicContact NH2-OD1 3.8Å; R125-D223 PolarHBondContact NH2-OD1 3.42Å; R125-D223 IonicContact NH2-OD2 2.59Å; R125-D223 PolarHBondContact NH2-OD2 3.12Å; I219-D223 PolarHBondContact O-N 2.93Å; E221-D223 VanDerWaalsContact C-N 3.3Å; D223-K225 PolarHBondContact O-N 3.09Å; D223-C226 PolarHBondContact O-N 2.58Å; D223-H227 PolarHBondContact O-N 3.49Å
224K74.6Confident83.7Confident148 Ų14883.4 Ų83.464%0.64340%0.4SS*.Hα-helixtrans-68.4-17.8178-68.6178-176.9174.40113.3E221 M222E221-K224 PolarHBondContact O-N 3.34Å; M222-K224 VanDerWaalsContact C-N 3.33Å; M222-K224 PolarHBondContact O-N 3.25Å
225K68.4Low82.6Confident172 Ų17281.2 Ų81.275%0.74839%0.392SS*.Hα-helixtrans-91.4-17.9175.9-68.2176.3-177.8173.30112.1E221 M222 D223E221-K225 PolarHBondContact O-N 3.48Å; M222-K225 PolarHBondContact O-N 2.96Å; D223-K225 PolarHBondContact O-N 3.09Å
226C59.9Low81.3Confident109 Ų10987 Ų8774%0.73642%0.421SS*.  trans-95.21.7178.4-68.30000113.1M222 D223M222-C226 PolarHBondContact O-N 3.19Å; D223-C226 PolarHBondContact O-N 2.58Å
227H48.2Very low79.8Confident219 Ų21994.9 Ų94.9100%1.01446%0.46SS*.  trans-122.90173.8-6924.2000109D223D223-H227 PolarHBondContact O-N 3.49Å

Retrieved 227 of 227 residues in 438.9 ms (Link to these results)

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