A0A087XGW2_POEFO Loading...

Peroxisomal multifunctional enzyme type 2

AlphaFold DB , UniProt , Accession A0A087XGW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 741 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
1T39.9Very low81.2Confident193 Ų19395.3 Ų95.3100%1.18453%0.534SS*.  0102.9029.20000107.3M3T1-M3 PolarHBondContact O-N 3.06Å
2E42.7Very low82.6Confident200 Ų20087.3 Ų87.394%0.93549%0.489SS*.  trans-65.4126.3-179.4-76.3177.8149.700110S4E2-S4 PolarHBondContact O-N 3.29Å
3M53.4Low83.8Confident187 Ų18780.6 Ų80.692%0.92145%0.451SS*.  trans-70.4111.9174-75.8-175-80.500109.2T1T1-M3 PolarHBondContact O-N 3.06Å
4S85.4Confident84.7Confident100 Ų10074.9 Ų74.970%0.69942%0.419SS*.  trans-69.2136.3175.956.60000111.7E2 S6E2-S4 PolarHBondContact O-N 3.29Å; S4-S6 PolarHBondContact O-N 3.04Å
5L93.2Very high85.3Confident53 Ų5369.9 Ų69.928%0.27739%0.392SS..  trans-59.1120173.3-58.4175000110.8R32 W226L5-R32 PolarHBondContact O-NH1 3.32Å; L5-W226 HydrophobicContact CD1-CE3 4.16Å
6S95.2Very high85.4Confident56 Ų5666.3 Ų66.339%0.39238%0.375SS..  trans-116.2146.4-177.3-1800000110.9S4 E8 H229S4-S6 PolarHBondContact O-N 3.04Å; S6-E8 PolarHBondContact OG-N 3.18Å; S6-H229 PolarHBondContact O-NE2 3.09Å
7F97.1Very high85.3Confident4 Ų462.5 Ų62.52%0.01835%0.353CS..  trans-118.421.3176.4-66.6-93000111.7G9 R10 F29 R32 G33 A34 I97 L225 C228 H229F7-G9 PolarHBondContact O-N 2.96Å; F7-R10 HydrophobicContact CB-CB 4.39Å; F7-R10 VanDerWaalsContact O-CB 3.3Å; F7-R10 WeakPolarHBondContact O-CB 3.15Å; F7-R10 PolarHBondContact O-N 3.13Å; F7-F29 HydrophobicContact CD1-CD1 4.04Å; F7-F29 HydrophobicContact CD1-CE1 4.05Å; F7-F29 HydrophobicContact CD2-CD1 4.34Å; F7-F29 HydrophobicContact CE1-CD1 4.08Å; F7-F29 AromaticContact CE1-CE1 3.68Å; F7-F29 HydrophobicContact CE1-CE1 3.68Å; F7-F29 HydrophobicContact CE2-CD1 4.39Å; F7-F29 HydrophobicContact CE2-CE1 4.44Å; F7-F29 HydrophobicContact CG-CD1 4.17Å; F7-F29 HydrophobicContact CZ-CD1 4.26Å; F7-F29 AromaticContact CZ-CE1 3.9Å; F7-F29 HydrophobicContact CZ-CE1 3.9Å; F7-R32 HydrophobicContact CD2-CB 3.76Å; F7-R32 HydrophobicContact CE2-CB 4.49Å; F7-R32 PolarHBondContact N-O 3.07Å; F7-G33 CarbonylContact O-C 3.46Å; F7-A34 HydrophobicContact CB-CB 3.77Å; F7-A34 WeakPolarHBondContact O-CA 3.42Å; F7-I97 HydrophobicContact CD1-CD1 3.75Å; F7-I97 HydrophobicContact CE1-CD1 4Å; F7-L225 HydrophobicContact CE2-CB 4.31Å; F7-L225 HydrophobicContact CE2-CD2 4.42Å; F7-L225 HydrophobicContact CE2-CG 4.13Å; F7-L225 HydrophobicContact CZ-CB 4.19Å; F7-L225 HydrophobicContact CZ-CG 4.29Å; F7-L225 VanDerWaalsContact CZ-O 3.29Å; F7-L225 WeakPolarHBondContact CZ-O 3.34Å; F7-C228 HydrophobicContact CE1-CB 4.37Å; F7-C228 WeakPolarHBondContact CE1-O 3.29Å; F7-H229 HydrophobicContact CE1-CB 4.24Å; F7-H229 HydrophobicContact CZ-CB 3.99Å; F7-H229 AromaticContact CZ-CD2 3.74Å
8E95.6Very high85Confident161 Ų16160.4 Ų60.475%0.75235%0.349SS*.THydrogen-bonded Turntrans-55.3131.9177.9-170.4167.3-166.100111.4S6 R10S6-E8 PolarHBondContact OG-N 3.18Å; E8-R10 PolarHBondContact O-N 3.38Å
9G94.8Very high84.9Confident50 Ų5059.2 Ų59.252%0.51535%0.35SS..THydrogen-bonded Turntrans76.50.4-177.400000115.4F7F7-G9 PolarHBondContact O-N 2.96Å
10R97.9Very high85Confident40 Ų4057.9 Ų57.915%0.15135%0.35CS..  trans-93.1142.9174.6-56.3-59.6-176.6172.50.2111.5F7 E8 A34 S35 D96 I97 E230F7-R10 HydrophobicContact CB-CB 4.39Å; F7-R10 VanDerWaalsContact O-CB 3.3Å; F7-R10 WeakPolarHBondContact O-CB 3.15Å; F7-R10 PolarHBondContact O-N 3.13Å; E8-R10 PolarHBondContact O-N 3.38Å; R10-A34 WeakPolarHBondContact O-CA 3.25Å; R10-S35 PolarHBondContact O-N 3.32Å; R10-D96 HydrophobicContact CB-CB 4.34Å; R10-D96 IonicContact NH1-OD1 3.55Å; R10-D96 PolarHBondContact NH1-OD1 2.94Å; R10-D96 VanDerWaalsContact NH1-OD1 3.15Å; R10-I97 HydrophobicContact CB-CD1 4.32Å; R10-E230 IonicContact CZ-OE2 3.7Å; R10-E230 IonicContact NE-OE2 3.82Å; R10-E230 IonicContact NH2-OE2 2.62Å; R10-E230 PolarHBondContact NH2-OE2 2.92Å
11V98.4Very high85.3Confident4 Ų456.2 Ų56.22%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-107.6120.8173.3-177.90000110.3S35 V37 A88 F92 R94 I95 D96 I97V11-S35 CarbonylContact C-O 3.55Å; V11-S35 VanDerWaalsContact CA-O 3.31Å; V11-S35 WeakPolarHBondContact CA-O 3.45Å; V11-V37 HydrophobicContact CG1-CG2 4.31Å; V11-A88 HydrophobicContact CG1-CB 4.18Å; V11-F92 HydrophobicContact CG1-CB 4.21Å; V11-F92 HydrophobicContact CG1-CD2 3.77Å; V11-F92 HydrophobicContact CG1-CG 4.4Å; V11-F92 HydrophobicContact CG2-CB 3.51Å; V11-F92 HydrophobicContact CG2-CD2 4.33Å; V11-F92 HydrophobicContact CG2-CG 4.17Å; V11-R94 HydrophobicContact CB-CG 4.13Å; V11-R94 WeakPolarHBondContact CB-O 3.36Å; V11-R94 WeakPolarHBondContact CG1-O 3.23Å; V11-R94 HydrophobicContact CG2-CG 3.43Å; V11-R94 VanDerWaalsContact CG2-CG 3.43Å; V11-I95 HydrophobicContact CG1-CD1 4.26Å; V11-D96 PolarHBondContact N-OD2 3.07Å; V11-D96 WeakPolarHBondContact O-CB 3.39Å; V11-D96 PolarHBondContact O-N 3.31Å; V11-I97 PolarHBondContact O-N 3.4Å
12A98Very high87.7Confident0 Ų047 Ų470%028%0.283CS..EExtended strand (participates in β ladder)trans-112.8122.8179.900000111.6F29 S35 V36 V37 I97A12-F29 HydrophobicContact CB-CD2 4.31Å; A12-F29 HydrophobicContact CB-CG 4.27Å; A12-S35 PolarHBondContact N-O 3.03Å; A12-V36 CarbonylContact O-C 3.55Å; A12-V36 WeakPolarHBondContact O-CA 3.36Å; A12-V37 PolarHBondContact O-N 3.16Å; A12-I97 WeakPolarHBondContact CA-O 3.36Å; A12-I97 HydrophobicContact CB-CB 3.91Å; A12-I97 HydrophobicContact CB-CD1 4.33Å; A12-I97 HydrophobicContact CB-CG2 4.24Å
13L97.8Very high90.1Very high0 Ų040.7 Ų40.70%025%0.252CS..EExtended strand (participates in β ladder)trans-94.8123.2167.7175.373000109.2T15 V37 K39 L84 I85 I95 I97 V99 V132L13-T15 HydrophobicContact CD2-CG2 4.46Å; L13-T15 HydrophobicContact CG-CG2 4.49Å; L13-V37 HydrophobicContact CD1-CB 3.74Å; L13-V37 HydrophobicContact CD1-CG1 3.59Å; L13-K39 HydrophobicContact CD1-CB 4.4Å; L13-L84 HydrophobicContact CD1-CB 4.38Å; L13-L84 HydrophobicContact CD2-CB 4.07Å; L13-L84 HydrophobicContact CD2-CD2 4.45Å; L13-I85 HydrophobicContact CD2-CD1 3.63Å; L13-I95 HydrophobicContact CB-CD1 3.76Å; L13-I97 PolarHBondContact N-O 2.71Å; L13-V99 PolarHBondContact O-N 3.06Å; L13-V132 HydrophobicContact CD2-CG1 3.57Å
14V96.5Very high92Very high0 Ų033.8 Ų33.80%022%0.217CC..EExtended strand (participates in β ladder)trans-114.9117.3173.6-174.90000109.4A17 Y25 F29 V37 K39 V99V14-A17 HydrophobicContact CB-CB 4.18Å; V14-A17 HydrophobicContact CG1-CB 4.08Å; V14-Y25 HydrophobicContact CG1-CD2 4.4Å; V14-F29 HydrophobicContact CG2-CD2 4.33Å; V14-V37 PolarHBondContact N-O 2.85Å; V14-V37 VanDerWaalsContact N-O 3.08Å; V14-K39 PolarHBondContact O-N 3.02Å; V14-K39 VanDerWaalsContact O-N 3.11Å; V14-V99 HydrophobicContact CG1-CB 4.39Å; V14-V99 HydrophobicContact CG1-CG1 4.49Å; V14-V99 HydrophobicContact CG2-CB 4.31Å; V14-V99 HydrophobicContact CG2-CG2 4.45Å
15T94.1Very high92.5Very high1 Ų129 Ų291%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-85.5136.2177.2720000111.3L13 V78 L84 V99 N100 N101 A102 V132L13-T15 HydrophobicContact CD2-CG2 4.46Å; L13-T15 HydrophobicContact CG-CG2 4.49Å; T15-V78 HydrophobicContact CG2-CG1 4.09Å; T15-L84 HydrophobicContact CG2-CD2 3.99Å; T15-V99 PolarHBondContact N-O 3.24Å; T15-V99 PolarHBondContact OG1-O 3.07Å; T15-N100 WeakPolarHBondContact OG1-CA 3.29Å; T15-N101 CarbonylContact O-C 3.57Å; T15-N101 VanDerWaalsContact O-CB 3.27Å; T15-N101 WeakPolarHBondContact O-CB 3.21Å; T15-N101 PolarHBondContact O-ND2 3.06Å; T15-N101 VanDerWaalsContact O-ND2 3.13Å; T15-N101 PolarHBondContact OG1-N 3.24Å; T15-A102 PolarHBondContact O-N 3.13Å; T15-A102 VanDerWaalsContact O-N 3.08Å; T15-A102 PolarHBondContact OG1-N 3.07Å; T15-V132 HydrophobicContact CG2-CG1 4.28Å; T15-V132 HydrophobicContact CG2-CG2 4.48Å
16G86.8Confident92.6Very high12 Ų1226.5 Ų26.512%0.12417%0.171CC..THydrogen-bonded Turntrans7236.2-176.500000112.8G18 K39 N101G16-G18 VanDerWaalsContact C-N 3.27Å; G16-G18 PolarHBondContact O-N 3.45Å; G16-K39 WeakPolarHBondContact CA-O 3.38Å; G16-K39 PolarHBondContact N-O 3.04Å; G16-N101 PolarHBondContact O-ND2 2.81Å
17A84.3Confident92.6Very high1 Ų124.7 Ų24.71%0.00816%0.156CC..THydrogen-bonded Turntrans-77.4-4-175.700000114.7V14 G19 K23 A26 D38 K39V14-A17 HydrophobicContact CB-CB 4.18Å; V14-A17 HydrophobicContact CG1-CB 4.08Å; A17-G19 PolarHBondContact O-N 2.91Å; A17-G19 VanDerWaalsContact O-N 3.12Å; A17-K23 WeakPolarHBondContact O-CA 3.31Å; A17-K23 WeakPolarHBondContact O-CB 3.38Å; A17-K23 PolarHBondContact O-N 2.82Å; A17-A26 HydrophobicContact CB-CB 4.36Å; A17-D38 HydrophobicContact CB-CB 3.98Å; A17-D38 WeakPolarHBondContact CB-OD1 3.49Å; A17-K39 PolarHBondContact N-O 2.76Å
18G79.3Confident92.5Very high26 Ų2625 Ų2527%0.26816%0.16SC..THydrogen-bonded Turntrans-69.6-6-176.200000116G16G16-G18 VanDerWaalsContact C-N 3.27Å; G16-G18 PolarHBondContact O-N 3.45Å
19G82.1Confident92.6Very high36 Ų3617.3 Ų17.337%0.37112%0.124SC..SBendtrans-179171.7178.800000113.6A17 G22 K23A17-G19 PolarHBondContact O-N 2.91Å; A17-G19 VanDerWaalsContact O-N 3.12Å; G19-G22 PolarHBondContact O-N 3.19Å; G19-K23 PolarHBondContact O-N 2.88Å
20G87.8Confident92.7Very high34 Ų3415.4 Ų15.435%0.35110%0.103SC..Hα-helixtrans56.3-138.1178.200000113.4G22 K23 E24G20-G22 VanDerWaalsContact C-N 3.33Å; G20-G22 PolarHBondContact O-N 2.84Å; G20-K23 PolarHBondContact O-N 2.89Å; G20-E24 PolarHBondContact O-N 3.16Å
21L90.6Very high92.6Very high23 Ų2317.9 Ų17.912%0.1213%0.127CC..Hα-helixtrans-55.1-43.6179.7-72.4166.8000113.4K23 E24 Y25 P196 A198 P217 V220L21-K23 PolarHBondContact O-N 2.8Å; L21-E24 PolarHBondContact O-N 3.09Å; L21-Y25 HydrophobicContact CB-CE1 4.36Å; L21-Y25 HydrophobicContact CB-CE2 3.9Å; L21-Y25 HydrophobicContact CD2-CE1 4.21Å; L21-Y25 WeakPolarHBondContact CD2-OH 3.37Å; L21-Y25 VanDerWaalsContact O-CD1 3.31Å; L21-Y25 WeakPolarHBondContact O-CD1 3.29Å; L21-Y25 VanDerWaalsContact O-CD2 3.27Å; L21-Y25 WeakPolarHBondContact O-CD2 3.07Å; L21-Y25 PolarHBondContact O-N 2.88Å; L21-P196 HydrophobicContact CD1-CB 3.74Å; L21-P196 HydrophobicContact CD1-CG 3.68Å; L21-A198 HydrophobicContact CD1-CB 4.19Å; L21-A198 HydrophobicContact CD2-CB 3.76Å; L21-A198 HydrophobicContact CG-CB 4.03Å; L21-P217 HydrophobicContact CD2-CB 3.93Å; L21-P217 HydrophobicContact CG-CB 4.43Å; L21-V220 HydrophobicContact CD2-CB 3.77Å; L21-V220 HydrophobicContact CD2-CG1 4.16Å; L21-V220 HydrophobicContact CD2-CG2 3.95Å
22G91.8Very high92.5Very high0 Ų022.6 Ų22.60%014%0.144CC..Hα-helixtrans-62.9-42.4-177.800000112.6G19 G20 E24 Y25 A26 N101G19-G22 PolarHBondContact O-N 3.19Å; G20-G22 VanDerWaalsContact C-N 3.33Å; G20-G22 PolarHBondContact O-N 2.84Å; G22-E24 VanDerWaalsContact C-N 3.3Å; G22-E24 PolarHBondContact O-N 2.84Å; G22-Y25 PolarHBondContact O-N 2.89Å; G22-A26 PolarHBondContact O-N 3.38Å; G22-A26 VanDerWaalsContact O-N 3.11Å; G22-N101 WeakPolarHBondContact CA-ND2 3.43Å; G22-N101 PolarHBondContact N-ND2 2.85Å
23K92Very high92.3Very high66 Ų6624.5 Ų24.529%0.28716%0.164SC..Hα-helixtrans-58.6-45.8175.1173.4178.4175.1174.90110.8A17 G19 G20 L21 A26 L27 V60 E63A17-K23 WeakPolarHBondContact O-CA 3.31Å; A17-K23 WeakPolarHBondContact O-CB 3.38Å; A17-K23 PolarHBondContact O-N 2.82Å; G19-K23 PolarHBondContact O-N 2.88Å; G20-K23 PolarHBondContact O-N 2.89Å; L21-K23 PolarHBondContact O-N 2.8Å; K23-A26 WeakPolarHBondContact O-CB 3.28Å; K23-A26 PolarHBondContact O-N 3.36Å; K23-L27 HydrophobicContact CD-CD1 4.49Å; K23-L27 HydrophobicContact CG-CD1 4.01Å; K23-L27 HydrophobicContact CG-CG 4.48Å; K23-L27 WeakPolarHBondContact O-CG 3.5Å; K23-L27 PolarHBondContact O-N 3.32Å; K23-V60 HydrophobicContact CB-CG2 4.38Å; K23-V60 HydrophobicContact CD-CG2 4.01Å; K23-V60 HydrophobicContact CG-CG1 4.28Å; K23-V60 HydrophobicContact CG-CG2 3.88Å; K23-E63 WeakPolarHBondContact CE-OE2 3.45Å; K23-E63 IonicContact NZ-OE2 3.05Å; K23-E63 PolarHBondContact NZ-OE2 3.05Å
24E94.3Very high92.3Very high42 Ų4224.6 Ų24.620%0.19617%0.165CC..Hα-helixtrans-68.4-37.7-176.4-171.152.2-147.700112.1G20 L21 G22 A26 L27 A28 P217 E218 A221G20-E24 PolarHBondContact O-N 3.16Å; L21-E24 PolarHBondContact O-N 3.09Å; G22-E24 VanDerWaalsContact C-N 3.3Å; G22-E24 PolarHBondContact O-N 2.84Å; E24-A26 VanDerWaalsContact C-N 3.35Å; E24-A26 PolarHBondContact O-N 3.46Å; E24-L27 PolarHBondContact O-N 3.04Å; E24-A28 WeakPolarHBondContact O-CB 3.48Å; E24-A28 PolarHBondContact O-N 2.94Å; E24-P217 HydrophobicContact CB-CB 4.06Å; E24-P217 HydrophobicContact CG-CB 4.42Å; E24-E218 HydrophobicContact CG-CB 4.44Å; E24-E218 HydrophobicContact CG-CG 4.05Å; E24-A221 HydrophobicContact CG-CB 3.85Å
25Y95.7Very high92.3Very high0 Ų025.3 Ų25.30%017%0.17CC..Hα-helixtrans-60.6-45.2172.9-54.7-25.9000111.6V14 L21 G22 A28 F29 V99 N101 I194 V220 A221 V224V14-Y25 HydrophobicContact CG1-CD2 4.4Å; L21-Y25 HydrophobicContact CB-CE1 4.36Å; L21-Y25 HydrophobicContact CB-CE2 3.9Å; L21-Y25 HydrophobicContact CD2-CE1 4.21Å; L21-Y25 WeakPolarHBondContact CD2-OH 3.37Å; L21-Y25 VanDerWaalsContact O-CD1 3.31Å; L21-Y25 WeakPolarHBondContact O-CD1 3.29Å; L21-Y25 VanDerWaalsContact O-CD2 3.27Å; L21-Y25 WeakPolarHBondContact O-CD2 3.07Å; L21-Y25 PolarHBondContact O-N 2.88Å; G22-Y25 PolarHBondContact O-N 2.89Å; Y25-A28 PolarHBondContact O-N 3.32Å; Y25-F29 WeakPolarHBondContact O-CB 3.22Å; Y25-F29 WeakPolarHBondContact O-CD2 3.44Å; Y25-F29 PolarHBondContact O-N 3.48Å; Y25-V99 HydrophobicContact CD2-CG1 3.88Å; Y25-V99 HydrophobicContact CE2-CG1 4.23Å; Y25-N101 HydrophobicContact CE2-CB 4.4Å; Y25-I194 WeakPolarHBondContact OH-CD1 3.24Å; Y25-V220 HydrophobicContact CE1-CB 4.49Å; Y25-V220 HydrophobicContact CE1-CG1 4.25Å; Y25-V220 WeakPolarHBondContact OH-CG1 3.45Å; Y25-A221 HydrophobicContact CD1-CB 3.76Å; Y25-A221 HydrophobicContact CE1-CB 4.1Å; Y25-V224 HydrophobicContact CD1-CB 4.19Å; Y25-V224 HydrophobicContact CD1-CG1 4.33Å; Y25-V224 HydrophobicContact CD1-CG2 4.15Å; Y25-V224 HydrophobicContact CE1-CB 4.18Å; Y25-V224 HydrophobicContact CE1-CG2 3.67Å; Y25-V224 HydrophobicContact CE2-CG2 4.23Å; Y25-V224 HydrophobicContact CG-CG1 4.27Å
26A94.9Very high92.2Very high0 Ų025.3 Ų25.30%017%0.17CC..Hα-helixtrans-60.2-48.9178.900000112.1A17 G22 K23 E24 A28 F29 A30 V36 D38 V60 I64A17-A26 HydrophobicContact CB-CB 4.36Å; G22-A26 PolarHBondContact O-N 3.38Å; G22-A26 VanDerWaalsContact O-N 3.11Å; K23-A26 WeakPolarHBondContact O-CB 3.28Å; K23-A26 PolarHBondContact O-N 3.36Å; E24-A26 VanDerWaalsContact C-N 3.35Å; E24-A26 PolarHBondContact O-N 3.46Å; A26-A28 PolarHBondContact O-N 2.97Å; A26-F29 PolarHBondContact O-N 2.98Å; A26-A30 WeakPolarHBondContact O-CB 3.02Å; A26-A30 PolarHBondContact O-N 3.17Å; A26-V36 HydrophobicContact CB-CG1 4.04Å; A26-D38 WeakPolarHBondContact CB-OD1 3.36Å; A26-V60 HydrophobicContact CB-CG1 4.31Å; A26-I64 HydrophobicContact CB-CD1 4.12Å
27L95Very high92.1Very high18 Ų1824.7 Ų24.79%0.09416%0.164CC..Hα-helixtrans-60.8-44.5176-71173.2000111.9K23 E24 A30 S31 E63 I64 K67K23-L27 HydrophobicContact CD-CD1 4.49Å; K23-L27 HydrophobicContact CG-CD1 4.01Å; K23-L27 HydrophobicContact CG-CG 4.48Å; K23-L27 WeakPolarHBondContact O-CG 3.5Å; K23-L27 PolarHBondContact O-N 3.32Å; E24-L27 PolarHBondContact O-N 3.04Å; L27-A30 PolarHBondContact O-N 3.35Å; L27-S31 WeakPolarHBondContact O-CB 3.26Å; L27-S31 PolarHBondContact O-N 2.71Å; L27-S31 PolarHBondContact O-OG 3.05Å; L27-E63 HydrophobicContact CD2-CB 4.44Å; L27-E63 HydrophobicContact CD2-CG 4.04Å; L27-I64 HydrophobicContact CD2-CG1 3.76Å; L27-K67 HydrophobicContact CD2-CD 4.49Å
28A95.9Very high91.7Very high11 Ų1124.7 Ų24.79%0.09116%0.164CC..Hα-helixtrans-65.5-43.2-178.800000112.2E24 Y25 A26 S31 A221 L225E24-A28 WeakPolarHBondContact O-CB 3.48Å; E24-A28 PolarHBondContact O-N 2.94Å; Y25-A28 PolarHBondContact O-N 3.32Å; A26-A28 PolarHBondContact O-N 2.97Å; A28-S31 PolarHBondContact O-OG 3.19Å; A28-A221 HydrophobicContact CB-CB 4.25Å; A28-L225 HydrophobicContact CB-CD1 3.7Å; A28-L225 HydrophobicContact CB-CD2 3.8Å; A28-L225 HydrophobicContact CB-CG 4.42Å
29F97.1Very high91Very high0 Ų023.5 Ų23.50%015%0.151CC..Hα-helixtrans-63.3-47.3174.1-80.9-58.8000111.8F7 A12 V14 Y25 A26 S31 R32 G33 A34 V36 I97 V99 V224 L225 C228F7-F29 HydrophobicContact CD1-CD1 4.04Å; F7-F29 HydrophobicContact CD1-CE1 4.05Å; F7-F29 HydrophobicContact CD2-CD1 4.34Å; F7-F29 HydrophobicContact CE1-CD1 4.08Å; F7-F29 AromaticContact CE1-CE1 3.68Å; F7-F29 HydrophobicContact CE1-CE1 3.68Å; F7-F29 HydrophobicContact CE2-CD1 4.39Å; F7-F29 HydrophobicContact CE2-CE1 4.44Å; F7-F29 HydrophobicContact CG-CD1 4.17Å; F7-F29 HydrophobicContact CZ-CD1 4.26Å; F7-F29 AromaticContact CZ-CE1 3.9Å; F7-F29 HydrophobicContact CZ-CE1 3.9Å; A12-F29 HydrophobicContact CB-CD2 4.31Å; A12-F29 HydrophobicContact CB-CG 4.27Å; V14-F29 HydrophobicContact CG2-CD2 4.33Å; Y25-F29 WeakPolarHBondContact O-CB 3.22Å; Y25-F29 WeakPolarHBondContact O-CD2 3.44Å; Y25-F29 PolarHBondContact O-N 3.48Å; A26-F29 PolarHBondContact O-N 2.98Å; F29-S31 VanDerWaalsContact C-N 3.34Å; F29-S31 PolarHBondContact O-N 2.96Å; F29-R32 CarbonylContact O-C 3.56Å; F29-R32 PolarHBondContact O-N 3.36Å; F29-R32 VanDerWaalsContact O-N 3.13Å; F29-G33 PolarHBondContact O-N 2.92Å; F29-A34 HydrophobicContact CB-CB 3.9Å; F29-A34 WeakPolarHBondContact O-CB 3.4Å; F29-A34 PolarHBondContact O-N 2.89Å; F29-V36 HydrophobicContact CB-CG2 4.05Å; F29-I97 HydrophobicContact CE1-CD1 4.1Å; F29-I97 HydrophobicContact CZ-CG2 4.21Å; F29-V99 HydrophobicContact CE2-CG2 4Å; F29-V99 HydrophobicContact CZ-CG2 4.47Å; F29-V224 HydrophobicContact CE2-CG1 4.03Å; F29-V224 HydrophobicContact CZ-CG1 4.07Å; F29-L225 HydrophobicContact CD1-CD1 4.04Å; F29-L225 HydrophobicContact CD1-CG 4.04Å; F29-L225 HydrophobicContact CD2-CD1 4.14Å; F29-L225 HydrophobicContact CE1-CD1 3.9Å; F29-L225 HydrophobicContact CE1-CG 3.89Å; F29-L225 HydrophobicContact CE2-CD1 3.99Å; F29-L225 HydrophobicContact CG-CD1 4.14Å; F29-L225 HydrophobicContact CZ-CD1 3.85Å; F29-L225 HydrophobicContact CZ-CG 4.3Å; F29-C228 HydrophobicContact CE1-CB 3.87Å; F29-C228 HydrophobicContact CZ-CB 3.72Å
30A96.1Very high89.7Confident9 Ų922.2 Ų22.27%0.07414%0.136CC..Hα-helixtrans-62.6-40.2-179.800000112.4A26 L27 R32 G33 V36 I64A26-A30 WeakPolarHBondContact O-CB 3.02Å; A26-A30 PolarHBondContact O-N 3.17Å; L27-A30 PolarHBondContact O-N 3.35Å; A30-R32 PolarHBondContact O-N 2.81Å; A30-G33 PolarHBondContact O-N 3.04Å; A30-V36 HydrophobicContact CB-CG2 3.92Å; A30-I64 HydrophobicContact CB-CB 4.36Å; A30-I64 HydrophobicContact CB-CD1 4.17Å; A30-I64 HydrophobicContact CB-CG1 4Å; A30-I64 HydrophobicContact CB-CG2 3.5Å
31S95.8Very high87.9Confident93 Ų9322.3 Ų22.365%0.6513%0.128SC*.Hα-helixtrans-61.2-17.2177.475.10000113.9L27 A28 F29L27-S31 WeakPolarHBondContact O-CB 3.26Å; L27-S31 PolarHBondContact O-N 2.71Å; L27-S31 PolarHBondContact O-OG 3.05Å; A28-S31 PolarHBondContact O-OG 3.19Å; F29-S31 VanDerWaalsContact C-N 3.34Å; F29-S31 PolarHBondContact O-N 2.96Å
32R96.3Very high85.7Confident102 Ų10222.8 Ų22.839%0.38513%0.131SC..THydrogen-bonded Turntrans-111.418.6179.4-63.4175.2-179.5-93.8-1.1112.9L5 F7 F29 A30L5-R32 PolarHBondContact O-NH1 3.32Å; F7-R32 HydrophobicContact CD2-CB 3.76Å; F7-R32 HydrophobicContact CE2-CB 4.49Å; F7-R32 PolarHBondContact N-O 3.07Å; F29-R32 CarbonylContact O-C 3.56Å; F29-R32 PolarHBondContact O-N 3.36Å; F29-R32 VanDerWaalsContact O-N 3.13Å; A30-R32 PolarHBondContact O-N 2.81Å
33G94.7Very high83.3Confident40 Ų4025.1 Ų25.141%0.41214%0.143SC..THydrogen-bonded Turntrans924.1169.800000116.1F7 F29 A30F7-G33 CarbonylContact O-C 3.46Å; F29-G33 PolarHBondContact O-N 2.92Å; A30-G33 PolarHBondContact O-N 3.04Å
34A96.8Very high81Confident2 Ų222.3 Ų22.32%0.01713%0.133CC..  trans-70145173.600000111.4F7 R10 F29 V36F7-A34 HydrophobicContact CB-CB 3.77Å; F7-A34 WeakPolarHBondContact O-CA 3.42Å; R10-A34 WeakPolarHBondContact O-CA 3.25Å; F29-A34 HydrophobicContact CB-CB 3.9Å; F29-A34 WeakPolarHBondContact O-CB 3.4Å; F29-A34 PolarHBondContact O-N 2.89Å; A34-V36 HydrophobicContact CB-CG2 4.31Å
35S96.8Very high78.8Confident16 Ų1624.8 Ų24.811%0.11215%0.151CC..EExtended strand (participates in β ladder)trans-83121.7161.4-67.90000108.8R10 V11 A12R10-S35 PolarHBondContact O-N 3.32Å; V11-S35 CarbonylContact C-O 3.55Å; V11-S35 VanDerWaalsContact CA-O 3.31Å; V11-S35 WeakPolarHBondContact CA-O 3.45Å; A12-S35 PolarHBondContact N-O 3.03Å
36V91.8Very high77Confident0 Ų028.2 Ų28.20%017%0.169CC..EExtended strand (participates in β ladder)trans-107.7132.6-171.4-174.40000111.3A12 A26 F29 A30 A34 D38 I64 K70 A71 V72A12-V36 CarbonylContact O-C 3.55Å; A12-V36 WeakPolarHBondContact O-CA 3.36Å; A26-V36 HydrophobicContact CB-CG1 4.04Å; F29-V36 HydrophobicContact CB-CG2 4.05Å; A30-V36 HydrophobicContact CB-CG2 3.92Å; A34-V36 HydrophobicContact CB-CG2 4.31Å; V36-D38 WeakPolarHBondContact CG1-OD1 3.37Å; V36-I64 HydrophobicContact CB-CD1 4.5Å; V36-K70 PolarHBondContact N-O 2.82Å; V36-A71 HydrophobicContact CB-CB 4.34Å; V36-A71 WeakPolarHBondContact O-CA 3.11Å; V36-V72 PolarHBondContact O-N 2.79Å; V36-V72 VanDerWaalsContact O-N 3.1Å
37V85.8Confident75Confident0 Ų029.7 Ų29.70%018%0.178CC..EExtended strand (participates in β ladder)trans-103.3109.7166.1-174.70000107.4V11 A12 L13 V14 V72 N74 A88 F92V11-V37 HydrophobicContact CG1-CG2 4.31Å; A12-V37 PolarHBondContact O-N 3.16Å; L13-V37 HydrophobicContact CD1-CB 3.74Å; L13-V37 HydrophobicContact CD1-CG1 3.59Å; V14-V37 PolarHBondContact N-O 2.85Å; V14-V37 VanDerWaalsContact N-O 3.08Å; V37-V72 WeakPolarHBondContact CA-O 3.45Å; V37-V72 HydrophobicContact CB-CG1 4.49Å; V37-V72 HydrophobicContact CG1-CG1 4.46Å; V37-V72 HydrophobicContact CG2-CG1 3.96Å; V37-N74 HydrophobicContact CG1-CB 4.4Å; V37-A88 HydrophobicContact CG2-CB 3.66Å; V37-F92 HydrophobicContact CG2-CD2 3.91Å; V37-F92 HydrophobicContact CG2-CE2 3.79Å
38D76.1Confident73.2Confident1 Ų133.9 Ų33.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-94.1104.3-178.2-78.8-30.1000109.8A17 A26 V36 V61 I64 V72 A73 N74A17-D38 HydrophobicContact CB-CB 3.98Å; A17-D38 WeakPolarHBondContact CB-OD1 3.49Å; A26-D38 WeakPolarHBondContact CB-OD1 3.36Å; V36-D38 WeakPolarHBondContact CG1-OD1 3.37Å; D38-V61 HydrophobicContact CB-CG2 3.98Å; D38-I64 VanDerWaalsContact OD2-CD1 3.23Å; D38-I64 WeakPolarHBondContact OD2-CD1 3.49Å; D38-V72 PolarHBondContact N-O 2.79Å; D38-A73 CarbonylContact O-C 3.58Å; D38-A73 WeakPolarHBondContact O-CA 3.41Å; D38-N74 PolarHBondContact O-N 2.96Å
39K63Low71.2Confident0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-88.4124.7171.5-179.2-99.4-178.2-156.50110.4L13 V14 G16 A17 N74 D76 V78 L84L13-K39 HydrophobicContact CD1-CB 4.4Å; V14-K39 PolarHBondContact O-N 3.02Å; V14-K39 VanDerWaalsContact O-N 3.11Å; G16-K39 WeakPolarHBondContact CA-O 3.38Å; G16-K39 PolarHBondContact N-O 3.04Å; A17-K39 PolarHBondContact N-O 2.76Å; K39-N74 WeakPolarHBondContact CA-O 3.34Å; K39-N74 HydrophobicContact CB-CB 4.37Å; K39-D76 WeakPolarHBondContact CE-O 3.3Å; K39-D76 PolarHBondContact NZ-O 3.22Å; K39-V78 HydrophobicContact CD-CG1 4Å; K39-L84 HydrophobicContact CB-CD2 4Å; K39-L84 HydrophobicContact CB-CG 4.25Å; K39-L84 HydrophobicContact CD-CD2 3.92Å; K39-L84 HydrophobicContact CG-CD1 4.35Å; K39-L84 HydrophobicContact CG-CD2 3.6Å; K39-L84 HydrophobicContact CG-CG 3.85Å
40V55.1Low68.8Low9 Ų935.9 Ų35.96%0.05522%0.217CC..  trans-85.4145.4171.5161.20000112.3D42 A56 A57 N74V40-D42 PolarHBondContact O-N 2.95Å; V40-A56 HydrophobicContact CG1-CB 4.47Å; V40-A56 HydrophobicContact CG2-CB 4.35Å; V40-A57 HydrophobicContact CB-CB 3.81Å; V40-A57 HydrophobicContact CG2-CB 3.12Å; V40-A57 VanDerWaalsContact CG2-N 3.32Å; V40-N74 PolarHBondContact N-O 3.09Å
41N51.6Low66.7Low37 Ų3737.7 Ų37.720%0.19824%0.237CC..  trans-63.496.7168.9-169.619.2000109.9L43N41-L43 PolarHBondContact ND2-O 2.77Å; N41-L43 PolarHBondContact O-N 2.86Å; N41-L43 VanDerWaalsContact O-N 3.14Å; N41-L43 PolarHBondContact OD1-N 2.84Å; N41-L43 PolarHBondContact OD1-O 2.6Å
42D44.1Very low64.7Low33 Ų3343.1 Ų43.118%0.17624%0.243CC..SBendtrans-75.614.7175.7-160.934.1000113.9V40 R52 Y75V40-D42 PolarHBondContact O-N 2.95Å; D42-R52 IonicContact OD2-NE 3.8Å; D42-Y75 WeakPolarHBondContact CB-O 3.24Å
43L41Very low62.7Low48 Ų4840.8 Ų40.825%0.25124%0.243SC..SBendtrans-12795.4167.7-75.7165.6000108.8N41 V124N41-L43 PolarHBondContact ND2-O 2.77Å; N41-L43 PolarHBondContact O-N 2.86Å; N41-L43 VanDerWaalsContact O-N 3.14Å; N41-L43 PolarHBondContact OD1-N 2.84Å; N41-L43 PolarHBondContact OD1-O 2.6Å; L43-V124 HydrophobicContact CD1-CG2 4Å
44G43.1Very low61.2Low8 Ų842 Ų428%0.08225%0.245CC..  trans11385.8159.800000116.5D46 G50 G51 R201G44-D46 CarbonylContact C-O 3.56Å; G44-D46 WeakPolarHBondContact CA-O 3.41Å; G44-D46 PolarHBondContact O-N 3.3Å; G44-D46 VanDerWaalsContact O-N 3.16Å; G44-G50 CarbonylContact C-O 3.6Å; G44-G50 VanDerWaalsContact CA-O 3.26Å; G44-G50 WeakPolarHBondContact CA-O 3.3Å; G44-G51 PolarHBondContact N-O 2.86Å; G44-R201 PolarHBondContact O-NH2 2.92Å
45V48.3Very low59.9Low94 Ų9444 Ų4457%0.5726%0.262SS*.SBendtrans-56.3-19.8153-170.90000110.1G50 G51 R201V45-G50 PolarHBondContact N-O 3.24Å; V45-G50 VanDerWaalsContact N-O 3.12Å; V45-G51 PolarHBondContact N-O 2.86Å; V45-R201 PolarHBondContact O-NH1 2.82Å
46D56.9Low58.7Low72 Ų7245 Ų4539%0.38527%0.271SS..SBendtrans-100.7146.3167.6-174.912.8000112.8G44 K48 G49 G50G44-D46 CarbonylContact C-O 3.56Å; G44-D46 WeakPolarHBondContact CA-O 3.41Å; G44-D46 PolarHBondContact O-N 3.3Å; G44-D46 VanDerWaalsContact O-N 3.16Å; D46-K48 PolarHBondContact O-N 3.21Å; D46-G49 PolarHBondContact O-N 2.94Å; D46-G50 PolarHBondContact N-O 3.35Å
47T55Low57.6Low30 Ų3045 Ų4518%0.18427%0.271CS..THydrogen-bonded Turntrans-58.1-16.8178.952.50000113.2L105 R201 L202T47-L105 PolarHBondContact O-N 3.06Å; T47-R201 HydrophobicContact CG2-CB 4.43Å; T47-R201 HydrophobicContact CG2-CG 3.67Å; T47-R201 VanDerWaalsContact CG2-CZ 3.46Å; T47-R201 VanDerWaalsContact N-NH1 3.2Å; T47-L202 HydrophobicContact CG2-CD2 3.9Å
48K56.8Low57.5Low106 Ų10647.4 Ų47.446%0.46128%0.284SS..THydrogen-bonded Turntrans-901.5178.3-56.9176.6-174.3168.40113.6D46 R106D46-K48 PolarHBondContact O-N 3.21Å; K48-R106 PolarHBondContact O-NE 3.25Å; K48-R106 PolarHBondContact O-NH2 3.44Å
49G54.2Low58Low13 Ų1354 Ų5413%0.13431%0.313CS..SBendtrans85.724.3176.800000115.5D46D46-G49 PolarHBondContact O-N 2.94Å
50G45.6Very low59.2Low40 Ų4054.2 Ų54.241%0.41231%0.314SS..  trans-104129.5174.600000114.3G44 V45 D46G44-G50 CarbonylContact C-O 3.6Å; G44-G50 VanDerWaalsContact CA-O 3.26Å; G44-G50 WeakPolarHBondContact CA-O 3.3Å; V45-G50 PolarHBondContact N-O 3.24Å; V45-G50 VanDerWaalsContact N-O 3.12Å; D46-G50 PolarHBondContact N-O 3.35Å
51G51.5Low60.8Low48 Ų4854 Ų5450%0.49531%0.313SS..  trans102.7146.7173.400000115.3G44 V45G44-G51 PolarHBondContact N-O 2.86Å; V45-G51 PolarHBondContact N-O 2.86Å
52R53.6Low62.7Low206 Ų20658.1 Ų58.178%0.77733%0.331SS*.  trans-107.4130173.5-76.7-176.9161.6157.2-0.5110.1D42D42-R52 IonicContact OD2-NE 3.8Å
53S54.7Low65Low54 Ų5459.2 Ų59.238%0.37834%0.335SS..  trans-149.9119.1170-174.50000110.6A55S53-A55 VanDerWaalsContact C-N 3.3Å
54S63.3Low67.5Low65 Ų6557 Ų5746%0.45532%0.323SS..THydrogen-bonded Turntrans-71.5-23.3175.251.50000113.1A56 A57S54-A56 PolarHBondContact O-N 3.45Å; S54-A57 PolarHBondContact O-N 2.95Å; S54-A57 VanDerWaalsContact O-N 3.12Å
55A69.6Low69.9Low44 Ų4463.5 Ų63.536%0.36435%0.345SS..Hα-helixtrans-64.6-18.6-167.800000115.6S53 K59S53-A55 VanDerWaalsContact C-N 3.3Å; A55-K59 WeakPolarHBondContact O-CD 3.42Å; A55-K59 VanDerWaalsContact O-CG 3.24Å; A55-K59 WeakPolarHBondContact O-CG 3.35Å; A55-K59 PolarHBondContact O-N 2.92Å
56A71.8Confident72.2Confident37 Ų3763.3 Ų63.331%0.30635%0.353SS..Hα-helixtrans-76.4-31.8177.500000112.5V40 S54V40-A56 HydrophobicContact CG1-CB 4.47Å; V40-A56 HydrophobicContact CG2-CB 4.35Å; S54-A56 PolarHBondContact O-N 3.45Å
57A69.6Low73.9Confident1 Ų166.7 Ų66.71%0.00837%0.365CS..Hα-helixtrans-74.1-48.9-177.800000108.8V40 S54 K59 V60 V61 A73 Y75V40-A57 HydrophobicContact CB-CB 3.81Å; V40-A57 HydrophobicContact CG2-CB 3.12Å; V40-A57 VanDerWaalsContact CG2-N 3.32Å; S54-A57 PolarHBondContact O-N 2.95Å; S54-A57 VanDerWaalsContact O-N 3.12Å; A57-K59 PolarHBondContact O-N 3.28Å; A57-V60 PolarHBondContact O-N 2.88Å; A57-V61 WeakPolarHBondContact O-CG2 3.34Å; A57-V61 PolarHBondContact O-N 2.69Å; A57-A73 HydrophobicContact CB-CB 3.73Å; A57-Y75 HydrophobicContact CB-CD1 4.34Å; A57-Y75 HydrophobicContact CB-CE1 3.99Å
58D82.5Confident75.6Confident49 Ų4968.6 Ų68.626%0.26239%0.39SS..Hα-helixtrans-56.8-43.4-177.1-60.7-29.7000110.2V60 V61 E62 Y75D58-V60 PolarHBondContact O-N 2.93Å; D58-V61 PolarHBondContact O-N 3.25Å; D58-E62 WeakPolarHBondContact O-CB 3.45Å; D58-E62 WeakPolarHBondContact O-CG 3.39Å; D58-E62 PolarHBondContact O-N 3.34Å; D58-Y75 PolarHBondContact OD1-OH 3.48Å
59K86.5Confident77.4Confident141 Ų14164.4 Ų64.461%0.61338%0.377SS*.Hα-helixtrans-60.3-42.4176.5-75.7175.4-176.9-176.30113.8A55 A57 E63A55-K59 WeakPolarHBondContact O-CD 3.42Å; A55-K59 VanDerWaalsContact O-CG 3.24Å; A55-K59 WeakPolarHBondContact O-CG 3.35Å; A55-K59 PolarHBondContact O-N 2.92Å; A57-K59 PolarHBondContact O-N 3.28Å; K59-E63 VanDerWaalsContact O-CB 3.29Å; K59-E63 WeakPolarHBondContact O-CB 3.04Å; K59-E63 PolarHBondContact O-N 3.38Å
60V87.7Confident79.3Confident4 Ų470.4 Ų70.42%0.02440%0.399CS..Hα-helixtrans-72.3-41.5-179.8178.60000110.3K23 A26 A57 D58 E63 I64K23-V60 HydrophobicContact CB-CG2 4.38Å; K23-V60 HydrophobicContact CD-CG2 4.01Å; K23-V60 HydrophobicContact CG-CG1 4.28Å; K23-V60 HydrophobicContact CG-CG2 3.88Å; A26-V60 HydrophobicContact CB-CG1 4.31Å; A57-V60 PolarHBondContact O-N 2.88Å; D58-V60 PolarHBondContact O-N 2.93Å; V60-E63 WeakPolarHBondContact O-CB 3.42Å; V60-E63 PolarHBondContact O-N 2.89Å; V60-I64 HydrophobicContact CG1-CD1 4.08Å; V60-I64 WeakPolarHBondContact O-CG1 3.33Å; V60-I64 PolarHBondContact O-N 2.8Å
61V89.1Confident81.6Confident5 Ų568.8 Ų68.83%0.0338%0.382CS..Hα-helixtrans-62.7-43.5175.3170.10000111.4D38 A57 D58 I64 R65 A71 A73D38-V61 HydrophobicContact CB-CG2 3.98Å; A57-V61 WeakPolarHBondContact O-CG2 3.34Å; A57-V61 PolarHBondContact O-N 2.69Å; D58-V61 PolarHBondContact O-N 3.25Å; V61-I64 PolarHBondContact O-N 2.75Å; V61-R65 HydrophobicContact CG1-CG 4.48Å; V61-R65 WeakPolarHBondContact O-CB 3.36Å; V61-R65 VanDerWaalsContact O-CG 3.23Å; V61-R65 WeakPolarHBondContact O-CG 3.47Å; V61-R65 PolarHBondContact O-N 2.8Å; V61-A71 HydrophobicContact CB-CB 4.37Å; V61-A71 HydrophobicContact CG1-CB 4.09Å; V61-A71 HydrophobicContact CG2-CB 4.1Å; V61-A73 HydrophobicContact CG2-CB 4Å
62E91.5Very high83.5Confident123 Ų12368.2 Ų68.258%0.57537%0.369SS*.Hα-helixtrans-61.3-43.5173.2-76.9172.6-179.100111.2D58 R65 A66D58-E62 WeakPolarHBondContact O-CB 3.45Å; D58-E62 WeakPolarHBondContact O-CG 3.39Å; D58-E62 PolarHBondContact O-N 3.34Å; E62-R65 PolarHBondContact O-N 2.82Å; E62-A66 VanDerWaalsContact O-CB 3.24Å; E62-A66 WeakPolarHBondContact O-CB 3.34Å; E62-A66 PolarHBondContact O-N 3.3Å
63E93.4Very high85.2Confident56 Ų5659.1 Ų59.126%0.26234%0.338SS..Hα-helixtrans-62.3-43.2176.5-169.1-17715600111.7K23 L27 K59 V60 A66 K67K23-E63 WeakPolarHBondContact CE-OE2 3.45Å; K23-E63 IonicContact NZ-OE2 3.05Å; K23-E63 PolarHBondContact NZ-OE2 3.05Å; L27-E63 HydrophobicContact CD2-CB 4.44Å; L27-E63 HydrophobicContact CD2-CG 4.04Å; K59-E63 VanDerWaalsContact O-CB 3.29Å; K59-E63 WeakPolarHBondContact O-CB 3.04Å; K59-E63 PolarHBondContact O-N 3.38Å; V60-E63 WeakPolarHBondContact O-CB 3.42Å; V60-E63 PolarHBondContact O-N 2.89Å; E63-A66 PolarHBondContact O-N 2.75Å; E63-K67 HydrophobicContact CG-CD 4.47Å; E63-K67 WeakPolarHBondContact O-CG 3.2Å; E63-K67 PolarHBondContact O-N 3.39Å; E63-K67 VanDerWaalsContact O-N 3.13Å; E63-K67 IonicContact OE1-NZ 3.23Å; E63-K67 PolarHBondContact OE1-NZ 3.48Å
64I93.4Very high86.8Confident2 Ų256.8 Ų56.81%0.0132%0.321CS..Hα-helixtrans-62-47.9175.2-72.6169.1000110.7A26 L27 A30 V36 D38 V60 V61 A66 K67 G68 G69 A71A26-I64 HydrophobicContact CB-CD1 4.12Å; L27-I64 HydrophobicContact CD2-CG1 3.76Å; A30-I64 HydrophobicContact CB-CB 4.36Å; A30-I64 HydrophobicContact CB-CD1 4.17Å; A30-I64 HydrophobicContact CB-CG1 4Å; A30-I64 HydrophobicContact CB-CG2 3.5Å; V36-I64 HydrophobicContact CB-CD1 4.5Å; D38-I64 VanDerWaalsContact OD2-CD1 3.23Å; D38-I64 WeakPolarHBondContact OD2-CD1 3.49Å; V60-I64 HydrophobicContact CG1-CD1 4.08Å; V60-I64 WeakPolarHBondContact O-CG1 3.33Å; V60-I64 PolarHBondContact O-N 2.8Å; V61-I64 PolarHBondContact O-N 2.75Å; I64-A66 VanDerWaalsContact C-N 3.35Å; I64-A66 PolarHBondContact O-N 2.82Å; I64-K67 CarbonylContact O-C 3.46Å; I64-K67 PolarHBondContact O-N 3.35Å; I64-K67 VanDerWaalsContact O-N 3.15Å; I64-G68 PolarHBondContact O-N 3.46Å; I64-G69 PolarHBondContact O-N 2.92Å; I64-A71 HydrophobicContact CB-CB 4.03Å; I64-A71 HydrophobicContact CD1-CB 3.88Å; I64-A71 HydrophobicContact CG2-CB 3.69Å
65R93.9Very high87.8Confident143 Ų14358.5 Ų58.554%0.5432%0.318SS..Hα-helixtrans-63.7-40.2179.6-73.5171.7-178.6179.30.8111.7V61 E62 K67 G68 A71V61-R65 HydrophobicContact CG1-CG 4.48Å; V61-R65 WeakPolarHBondContact O-CB 3.36Å; V61-R65 VanDerWaalsContact O-CG 3.23Å; V61-R65 WeakPolarHBondContact O-CG 3.47Å; V61-R65 PolarHBondContact O-N 2.8Å; E62-R65 PolarHBondContact O-N 2.82Å; R65-K67 PolarHBondContact O-N 3.29Å; R65-G68 PolarHBondContact O-N 3.45Å; R65-A71 PolarHBondContact NE-O 3.39Å; R65-A71 VanDerWaalsContact NE-O 3.12Å; R65-A71 PolarHBondContact NH2-O 3.23Å
66A94.8Very high88.6Confident90 Ų9058.5 Ų58.574%0.74431%0.312SS*.Hα-helixtrans-62.9-30.1175.800000112.4E62 E63 I64 G68E62-A66 VanDerWaalsContact O-CB 3.24Å; E62-A66 WeakPolarHBondContact O-CB 3.34Å; E62-A66 PolarHBondContact O-N 3.3Å; E63-A66 PolarHBondContact O-N 2.75Å; I64-A66 VanDerWaalsContact C-N 3.35Å; I64-A66 PolarHBondContact O-N 2.82Å; A66-G68 VanDerWaalsContact C-N 3.28Å
67K93.4Very high89.4Confident144 Ų14457.4 Ų57.463%0.62630%0.302SS*.THydrogen-bonded Turntrans-85.37173.2-69171.9175.9170.70113.6L27 E63 I64 R65L27-K67 HydrophobicContact CD2-CD 4.49Å; E63-K67 HydrophobicContact CG-CD 4.47Å; E63-K67 WeakPolarHBondContact O-CG 3.2Å; E63-K67 PolarHBondContact O-N 3.39Å; E63-K67 VanDerWaalsContact O-N 3.13Å; E63-K67 IonicContact OE1-NZ 3.23Å; E63-K67 PolarHBondContact OE1-NZ 3.48Å; I64-K67 CarbonylContact O-C 3.46Å; I64-K67 PolarHBondContact O-N 3.35Å; I64-K67 VanDerWaalsContact O-N 3.15Å; R65-K67 PolarHBondContact O-N 3.29Å
68G91.8Very high90.4Very high70 Ų7057.5 Ų57.572%0.72230%0.303SS*.THydrogen-bonded Turntrans83.18.2177.700000115.3I64 R65 A66I64-G68 PolarHBondContact O-N 3.46Å; R65-G68 PolarHBondContact O-N 3.45Å; A66-G68 VanDerWaalsContact C-N 3.28Å
69G93.3Very high90.9Very high17 Ų1757.7 Ų57.718%0.17530%0.302CS..  trans-84.7171.6176.800000113.6I64I64-G69 PolarHBondContact O-N 2.92Å
70K94.5Very high91.2Very high140 Ų14054.3 Ų54.361%0.60929%0.291SS*.EExtended strand (participates in β ladder)trans-108.1119.8177.2-65.5174.2-175.6171.60109.5V36 F92V36-K70 PolarHBondContact N-O 2.82Å; K70-F92 HydrophobicContact CB-CE1 4.31Å; K70-F92 HydrophobicContact CB-CZ 4.48Å
71A93.9Very high91.4Very high6 Ų654.2 Ų54.25%0.0529%0.291CS..EExtended strand (participates in β ladder)trans-146.3152.7174.500000114.2V36 V61 I64 R65V36-A71 HydrophobicContact CB-CB 4.34Å; V36-A71 WeakPolarHBondContact O-CA 3.11Å; V61-A71 HydrophobicContact CB-CB 4.37Å; V61-A71 HydrophobicContact CG1-CB 4.09Å; V61-A71 HydrophobicContact CG2-CB 4.1Å; I64-A71 HydrophobicContact CB-CB 4.03Å; I64-A71 HydrophobicContact CD1-CB 3.88Å; I64-A71 HydrophobicContact CG2-CB 3.69Å; R65-A71 PolarHBondContact NE-O 3.39Å; R65-A71 VanDerWaalsContact NE-O 3.12Å; R65-A71 PolarHBondContact NH2-O 3.23Å
72V92.4Very high91.7Very high35 Ų3559 Ų5921%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-135.1138173.540.70000109V36 V37 D38 A91 F92V36-V72 PolarHBondContact O-N 2.79Å; V36-V72 VanDerWaalsContact O-N 3.1Å; V37-V72 WeakPolarHBondContact CA-O 3.45Å; V37-V72 HydrophobicContact CB-CG1 4.49Å; V37-V72 HydrophobicContact CG1-CG1 4.46Å; V37-V72 HydrophobicContact CG2-CG1 3.96Å; D38-V72 PolarHBondContact N-O 2.79Å; V72-A91 HydrophobicContact CB-CB 4.41Å; V72-A91 HydrophobicContact CG1-CB 3.66Å; V72-F92 HydrophobicContact CG1-CD2 4.33Å; V72-F92 HydrophobicContact CG1-CE2 3.43Å; V72-F92 VanDerWaalsContact CG1-CE2 3.43Å; V72-F92 HydrophobicContact CG1-CZ 3.69Å
73A89.2Confident91.8Very high16 Ų1658 Ų5813%0.13231%0.307CS..EExtended strand (participates in β ladder)trans-83.1142.5176.300000111.1D38 A57 V61 Y75D38-A73 CarbonylContact O-C 3.58Å; D38-A73 WeakPolarHBondContact O-CA 3.41Å; A57-A73 HydrophobicContact CB-CB 3.73Å; V61-A73 HydrophobicContact CG2-CB 4Å; A73-Y75 HydrophobicContact CB-CE1 3.83Å
74N87Confident91.8Very high5 Ų555.4 Ų55.43%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-122.7139163.3176.5-78.3000110V37 D38 K39 V40 D76 L84 S87V37-N74 HydrophobicContact CG1-CB 4.4Å; D38-N74 PolarHBondContact O-N 2.96Å; K39-N74 WeakPolarHBondContact CA-O 3.34Å; K39-N74 HydrophobicContact CB-CB 4.37Å; V40-N74 PolarHBondContact N-O 3.09Å; N74-D76 PolarHBondContact ND2-OD2 3.29Å; N74-D76 PolarHBondContact OD1-N 2.79Å; N74-L84 WeakPolarHBondContact OD1-CD1 3.47Å; N74-S87 PolarHBondContact ND2-OG 2.85Å
75Y85.3Confident91.9Very high101 Ų10155.3 Ų55.340%0.39629%0.294SS..  trans-113.62.7-174.4-41.7-74.7000113.6D42 A57 D58 A73D42-Y75 WeakPolarHBondContact CB-O 3.24Å; A57-Y75 HydrophobicContact CB-CD1 4.34Å; A57-Y75 HydrophobicContact CB-CE1 3.99Å; D58-Y75 PolarHBondContact OD1-OH 3.48Å; A73-Y75 HydrophobicContact CB-CE1 3.83Å
76D86.4Confident92Very high43 Ų4352.3 Ų52.323%0.2329%0.286CS..SBendtrans-77159.7-178.5-63.7-78000111.3K39 N74 D80 K83 L84K39-D76 WeakPolarHBondContact CE-O 3.3Å; K39-D76 PolarHBondContact NZ-O 3.22Å; N74-D76 PolarHBondContact ND2-OD2 3.29Å; N74-D76 PolarHBondContact OD1-N 2.79Å; D76-D80 HydrophobicContact CB-CB 4.27Å; D76-K83 HydrophobicContact CB-CB 4.21Å; D76-K83 HydrophobicContact CB-CD 4.18Å; D76-K83 VanDerWaalsContact CG-CD 3.4Å; D76-K83 WeakPolarHBondContact OD1-CD 3.25Å; D76-K83 IonicContact OD1-NZ 3.45Å; D76-K83 PolarHBondContact OD1-NZ 3.43Å; D76-K83 WeakPolarHBondContact OD2-CB 3.49Å; D76-L84 HydrophobicContact CB-CD1 3.75Å
77S88.4Confident91.9Very high15 Ų1549.3 Ų49.311%0.10526%0.259CS..  trans-67.3154.8173.4-176.20000111.1E79 D80 L84S77-E79 PolarHBondContact O-N 3.31Å; S77-E79 VanDerWaalsContact O-N 3.16Å; S77-E79 PolarHBondContact OG-N 3.43Å; S77-D80 PolarHBondContact O-N 3.24Å; S77-L84 WeakPolarHBondContact O-CD1 3.29Å
78V91Very high92Very high3 Ų342.4 Ų42.42%0.01823%0.23CC..G310 helixtrans-63.8-16.4167.5-70.80000112.1T15 K39 D80 G81 L84 A102 V124 G128 V132T15-V78 HydrophobicContact CG2-CG1 4.09Å; K39-V78 HydrophobicContact CD-CG1 4Å; V78-D80 PolarHBondContact O-N 3.31Å; V78-G81 PolarHBondContact O-N 3.28Å; V78-L84 HydrophobicContact CG1-CD2 4.28Å; V78-A102 HydrophobicContact CG1-CB 3.72Å; V78-V124 HydrophobicContact CG2-CG1 4.22Å; V78-V124 WeakPolarHBondContact CG2-O 3.47Å; V78-G128 WeakPolarHBondContact O-CA 3.37Å; V78-V132 HydrophobicContact CB-CG2 4.22Å; V78-V132 HydrophobicContact CG1-CG2 4.35Å
79E92.5Very high92.3Very high52 Ų5240.6 Ų40.624%0.24320%0.203CC..G310 helixtrans-68.9-17.6170.4-61.7-175.4-10200113.1S77 R123 R127 L131S77-E79 PolarHBondContact O-N 3.31Å; S77-E79 VanDerWaalsContact O-N 3.16Å; S77-E79 PolarHBondContact OG-N 3.43Å; E79-R123 WeakPolarHBondContact OE2-CD 3.32Å; E79-R127 IonicContact OE2-NH1 3.15Å; E79-L131 VanDerWaalsContact O-CD1 3.28Å; E79-L131 WeakPolarHBondContact O-CD1 3.33Å
80D92.8Very high92.4Very high71 Ų7145.5 Ų45.538%0.3823%0.225SC..G310 helixtrans-107.144.1175.2-62.4-63.4000110.6D76 S77 V78 E82 K83D76-D80 HydrophobicContact CB-CB 4.27Å; S77-D80 PolarHBondContact O-N 3.24Å; V78-D80 PolarHBondContact O-N 3.31Å; D80-E82 PolarHBondContact O-N 2.74Å; D80-K83 HydrophobicContact CB-CD 4.07Å; D80-K83 HydrophobicContact CB-CG 4.39Å; D80-K83 PolarHBondContact O-N 3.33Å
81G92.3Very high92.5Very high2 Ų241.2 Ų41.22%0.02122%0.216CC..Hα-helixtrans-52.6-26.1-170.200000116.1V78 K83 L84 I85V78-G81 PolarHBondContact O-N 3.28Å; G81-K83 PolarHBondContact O-N 3.3Å; G81-L84 PolarHBondContact O-N 2.97Å; G81-I85 PolarHBondContact O-N 2.81Å
82E94.4Very high92.6Very high106 Ų10643.6 Ų43.650%0.49523%0.225SC..Hα-helixtrans-61-42.4174.2-161.566.2-150.300112.3D80 L84 I85 Q86 A135D80-E82 PolarHBondContact O-N 2.74Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.15Å; E82-I85 PolarHBondContact O-N 3.12Å; E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 PolarHBondContact O-N 3.13Å; E82-A135 WeakPolarHBondContact OE2-CB 3.36Å
83K93.9Very high92.8Very high102 Ų10244.8 Ų44.844%0.44325%0.245SC..Hα-helixtrans-68.5-33-178.9-62.2-178.2-178.4169.30112.4D76 D80 G81 Q86 S87D76-K83 HydrophobicContact CB-CB 4.21Å; D76-K83 HydrophobicContact CB-CD 4.18Å; D76-K83 VanDerWaalsContact CG-CD 3.4Å; D76-K83 WeakPolarHBondContact OD1-CD 3.25Å; D76-K83 IonicContact OD1-NZ 3.45Å; D76-K83 PolarHBondContact OD1-NZ 3.43Å; D76-K83 WeakPolarHBondContact OD2-CB 3.49Å; D80-K83 HydrophobicContact CB-CD 4.07Å; D80-K83 HydrophobicContact CB-CG 4.39Å; D80-K83 PolarHBondContact O-N 3.33Å; G81-K83 PolarHBondContact O-N 3.3Å; K83-Q86 PolarHBondContact O-N 3.48Å; K83-S87 PolarHBondContact O-N 3.2Å; K83-S87 PolarHBondContact O-OG 2.81Å
84L92.7Very high93.2Very high0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-63.4-46.4175.3-84.566.1000110.3L13 T15 K39 N74 D76 S77 V78 G81 E82 S87 A88 V132L13-L84 HydrophobicContact CD1-CB 4.38Å; L13-L84 HydrophobicContact CD2-CB 4.07Å; L13-L84 HydrophobicContact CD2-CD2 4.45Å; T15-L84 HydrophobicContact CG2-CD2 3.99Å; K39-L84 HydrophobicContact CB-CD2 4Å; K39-L84 HydrophobicContact CB-CG 4.25Å; K39-L84 HydrophobicContact CD-CD2 3.92Å; K39-L84 HydrophobicContact CG-CD1 4.35Å; K39-L84 HydrophobicContact CG-CD2 3.6Å; K39-L84 HydrophobicContact CG-CG 3.85Å; N74-L84 WeakPolarHBondContact OD1-CD1 3.47Å; D76-L84 HydrophobicContact CB-CD1 3.75Å; S77-L84 WeakPolarHBondContact O-CD1 3.29Å; V78-L84 HydrophobicContact CG1-CD2 4.28Å; G81-L84 PolarHBondContact O-N 2.97Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.15Å; L84-S87 PolarHBondContact O-N 3.47Å; L84-A88 PolarHBondContact O-N 2.99Å; L84-V132 HydrophobicContact CD2-CG2 3.82Å
85I96.4Very high93.7Very high0 Ų047.9 Ų47.90%025%0.253CS..Hα-helixtrans-69.3-41178-60.9-60.5000110.6L13 G81 E82 S87 A88 L89 I95 V98 V132 A135 A136L13-I85 HydrophobicContact CD2-CD1 3.63Å; G81-I85 PolarHBondContact O-N 2.81Å; E82-I85 PolarHBondContact O-N 3.12Å; I85-S87 PolarHBondContact O-N 3Å; I85-A88 WeakPolarHBondContact O-CA 2.8Å; I85-A88 VanDerWaalsContact O-CB 3.3Å; I85-A88 WeakPolarHBondContact O-CB 3.38Å; I85-A88 PolarHBondContact O-N 3.1Å; I85-L89 HydrophobicContact CG2-CD1 4.22Å; I85-L89 HydrophobicContact CG2-CG 4.36Å; I85-L89 WeakPolarHBondContact O-CG 3.28Å; I85-L89 PolarHBondContact O-N 2.89Å; I85-I95 HydrophobicContact CD1-CG1 4.15Å; I85-I95 HydrophobicContact CG2-CG2 4.24Å; I85-V98 HydrophobicContact CD1-CG2 4.3Å; I85-V132 HydrophobicContact CD1-CG1 4.38Å; I85-A135 HydrophobicContact CB-CB 4.06Å; I85-A135 HydrophobicContact CG1-CB 3.6Å; I85-A136 HydrophobicContact CD1-CB 3.62Å; I85-A136 HydrophobicContact CG1-CB 4.2Å
86Q95.5Very high94.4Very high80 Ų8043.1 Ų43.137%0.37423%0.234SC..Hα-helixtrans-57.1-39.6175.3-168.661.250.800111.8E82 K83 A88 L89 D90E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 PolarHBondContact O-N 3.13Å; K83-Q86 PolarHBondContact O-N 3.48Å; Q86-A88 VanDerWaalsContact C-N 3.27Å; Q86-A88 PolarHBondContact O-N 2.86Å; Q86-L89 PolarHBondContact O-N 3.17Å; Q86-L89 VanDerWaalsContact O-N 3.11Å; Q86-D90 PolarHBondContact NE2-OD1 3.47Å; Q86-D90 WeakPolarHBondContact O-CB 3.34Å; Q86-D90 VanDerWaalsContact O-CG 3.24Å; Q86-D90 PolarHBondContact O-N 3.49Å
87S93.4Very high95Very high27 Ų2741.1 Ų41.119%0.18922%0.223CC..Hα-helixtrans-60.8-35.6175.6-57.40000112.7N74 K83 L84 I85 A91N74-S87 PolarHBondContact ND2-OG 2.85Å; K83-S87 PolarHBondContact O-N 3.2Å; K83-S87 PolarHBondContact O-OG 2.81Å; L84-S87 PolarHBondContact O-N 3.47Å; I85-S87 PolarHBondContact O-N 3Å; S87-A91 VanDerWaalsContact O-CB 3.27Å; S87-A91 WeakPolarHBondContact O-CB 3.34Å; S87-A91 PolarHBondContact O-N 2.98Å; S87-A91 VanDerWaalsContact O-N 3.14Å
88A95Very high95.5Very high0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-68.3-41.8173.900000112.2V11 V37 L84 I85 Q86 F92 G93 I95V11-A88 HydrophobicContact CG1-CB 4.18Å; V37-A88 HydrophobicContact CG2-CB 3.66Å; L84-A88 PolarHBondContact O-N 2.99Å; I85-A88 WeakPolarHBondContact O-CA 2.8Å; I85-A88 VanDerWaalsContact O-CB 3.3Å; I85-A88 WeakPolarHBondContact O-CB 3.38Å; I85-A88 PolarHBondContact O-N 3.1Å; Q86-A88 VanDerWaalsContact C-N 3.27Å; Q86-A88 PolarHBondContact O-N 2.86Å; A88-F92 WeakPolarHBondContact O-CA 3.34Å; A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 3.42Å; A88-G93 PolarHBondContact O-N 2.89Å; A88-I95 HydrophobicContact CB-CB 4.47Å; A88-I95 HydrophobicContact CB-CD1 4.17Å
89L97.2Very high95.8Very high31 Ų3140.2 Ų40.216%0.16222%0.217CC..Hα-helixtrans-66.9-43.5178.2-61175.5000111.6I85 Q86 G93 H139I85-L89 HydrophobicContact CG2-CD1 4.22Å; I85-L89 HydrophobicContact CG2-CG 4.36Å; I85-L89 WeakPolarHBondContact O-CG 3.28Å; I85-L89 PolarHBondContact O-N 2.89Å; Q86-L89 PolarHBondContact O-N 3.17Å; Q86-L89 VanDerWaalsContact O-N 3.11Å; L89-G93 WeakPolarHBondContact O-CA 3.35Å; L89-G93 PolarHBondContact O-N 3.2Å; L89-H139 VanDerWaalsContact CD1-CE1 3.42Å; L89-H139 WeakPolarHBondContact CD1-CE1 3.23Å
90D96.7Very high96.1Very high121 Ų12137.9 Ų37.965%0.64721%0.206SC*.Hα-helixtrans-67.4-40.8-179.4-68.2-16.5000111.7Q86Q86-D90 PolarHBondContact NE2-OD1 3.47Å; Q86-D90 WeakPolarHBondContact O-CB 3.34Å; Q86-D90 VanDerWaalsContact O-CG 3.24Å; Q86-D90 PolarHBondContact O-N 3.49Å
91A95.4Very high96.2Very high49 Ų4935.6 Ų35.641%0.40519%0.194SC..Hα-helixtrans-81.2-36.9-177.400000113.5V72 S87V72-A91 HydrophobicContact CB-CB 4.41Å; V72-A91 HydrophobicContact CG1-CB 3.66Å; S87-A91 VanDerWaalsContact O-CB 3.27Å; S87-A91 WeakPolarHBondContact O-CB 3.34Å; S87-A91 PolarHBondContact O-N 2.98Å; S87-A91 VanDerWaalsContact O-N 3.14Å
92F96.6Very high96.1Very high56 Ų5635.8 Ų35.825%0.24620%0.195CC..Hα-helixtrans-132.7-2.5-167.7-54.1-54.5000114.5V11 V37 K70 V72 A88 R94V11-F92 HydrophobicContact CG1-CB 4.21Å; V11-F92 HydrophobicContact CG1-CD2 3.77Å; V11-F92 HydrophobicContact CG1-CG 4.4Å; V11-F92 HydrophobicContact CG2-CB 3.51Å; V11-F92 HydrophobicContact CG2-CD2 4.33Å; V11-F92 HydrophobicContact CG2-CG 4.17Å; V37-F92 HydrophobicContact CG2-CD2 3.91Å; V37-F92 HydrophobicContact CG2-CE2 3.79Å; K70-F92 HydrophobicContact CB-CE1 4.31Å; K70-F92 HydrophobicContact CB-CZ 4.48Å; V72-F92 HydrophobicContact CG1-CD2 4.33Å; V72-F92 HydrophobicContact CG1-CE2 3.43Å; V72-F92 VanDerWaalsContact CG1-CE2 3.43Å; V72-F92 HydrophobicContact CG1-CZ 3.69Å; A88-F92 WeakPolarHBondContact O-CA 3.34Å; A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 3.42Å; F92-R94 PolarHBondContact O-N 2.86Å
93G96.8Very high95.8Very high61 Ų6131.6 Ų31.663%0.62918%0.181SC*.SBendtrans76.7-3.4174.100000115.8A88 L89A88-G93 PolarHBondContact O-N 2.89Å; L89-G93 WeakPolarHBondContact O-CA 3.35Å; L89-G93 PolarHBondContact O-N 3.2Å
94R97.7Very high95.5Very high86 Ų8626.9 Ų26.933%0.32516%0.16SC..  trans-157.6170.4-175.667.8-174.3-67.21595.5112.7V11 F92 D96V11-R94 HydrophobicContact CB-CG 4.13Å; V11-R94 WeakPolarHBondContact CB-O 3.36Å; V11-R94 WeakPolarHBondContact CG1-O 3.23Å; V11-R94 HydrophobicContact CG2-CG 3.43Å; V11-R94 VanDerWaalsContact CG2-CG 3.43Å; F92-R94 PolarHBondContact O-N 2.86Å; R94-D96 IonicContact CZ-OD1 2.64Å; R94-D96 IonicContact CZ-OD2 3.69Å; R94-D96 IonicContact NE-OD1 3.54Å; R94-D96 PolarHBondContact NE-OD1 3.11Å; R94-D96 IonicContact NE-OD2 2.93Å; R94-D96 PolarHBondContact NE-OD2 2.93Å; R94-D96 IonicContact NH2-OD1 3.1Å; R94-D96 PolarHBondContact NH2-OD1 3.33Å; R94-D96 IonicContact NH2-OD2 2.74Å
95I98.4Very high95.1Very high0 Ų027.7 Ų27.70%017%0.165CC..  trans-141.1127.9169.5-176.464.1000109.3V11 L13 I85 A88 I97 V98 A136 H139 M140 Q143V11-I95 HydrophobicContact CG1-CD1 4.26Å; L13-I95 HydrophobicContact CB-CD1 3.76Å; I85-I95 HydrophobicContact CD1-CG1 4.15Å; I85-I95 HydrophobicContact CG2-CG2 4.24Å; A88-I95 HydrophobicContact CB-CB 4.47Å; A88-I95 HydrophobicContact CB-CD1 4.17Å; I95-I97 WeakPolarHBondContact CD1-O 3.15Å; I95-V98 HydrophobicContact CD1-CG2 4.25Å; I95-V98 HydrophobicContact CG1-CG2 4Å; I95-A136 HydrophobicContact CG1-CB 4.47Å; I95-A136 HydrophobicContact CG2-CB 4.33Å; I95-H139 HydrophobicContact CG2-CB 3.74Å; I95-M140 HydrophobicContact CG1-CE 4.36Å; I95-Q143 PolarHBondContact O-NE2 3.18Å
96D98.6Very high94.6Very high0 Ų030.2 Ų30.20%017%0.174CC..  trans-118-38.3-176.2-66.9-84.5000112.6R10 V11 R94 M140 F145 G146 R147R10-D96 HydrophobicContact CB-CB 4.34Å; R10-D96 IonicContact NH1-OD1 3.55Å; R10-D96 PolarHBondContact NH1-OD1 2.94Å; R10-D96 VanDerWaalsContact NH1-OD1 3.15Å; V11-D96 PolarHBondContact N-OD2 3.07Å; V11-D96 WeakPolarHBondContact O-CB 3.39Å; V11-D96 PolarHBondContact O-N 3.31Å; R94-D96 IonicContact CZ-OD1 2.64Å; R94-D96 IonicContact CZ-OD2 3.69Å; R94-D96 IonicContact NE-OD1 3.54Å; R94-D96 PolarHBondContact NE-OD1 3.11Å; R94-D96 IonicContact NE-OD2 2.93Å; R94-D96 PolarHBondContact NE-OD2 2.93Å; R94-D96 IonicContact NH2-OD1 3.1Å; R94-D96 PolarHBondContact NH2-OD1 3.33Å; R94-D96 IonicContact NH2-OD2 2.74Å; D96-M140 WeakPolarHBondContact O-CE 3.4Å; D96-F145 HydrophobicContact CB-CD1 4Å; D96-F145 HydrophobicContact CB-CE1 3.96Å; D96-F145 WeakPolarHBondContact OD1-CD1 3.44Å; D96-G146 WeakPolarHBondContact O-CA 3.17Å; D96-R147 PolarHBondContact O-N 3.48Å
97I98.8Very high94.2Very high1 Ų128.9 Ų28.91%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-128.2130.8-172.3-58164.1000109F7 R10 V11 A12 L13 F29 I95 V99 R147 C228F7-I97 HydrophobicContact CD1-CD1 3.75Å; F7-I97 HydrophobicContact CE1-CD1 4Å; R10-I97 HydrophobicContact CB-CD1 4.32Å; V11-I97 PolarHBondContact O-N 3.4Å; A12-I97 WeakPolarHBondContact CA-O 3.36Å; A12-I97 HydrophobicContact CB-CB 3.91Å; A12-I97 HydrophobicContact CB-CD1 4.33Å; A12-I97 HydrophobicContact CB-CG2 4.24Å; L13-I97 PolarHBondContact N-O 2.71Å; F29-I97 HydrophobicContact CE1-CD1 4.1Å; F29-I97 HydrophobicContact CZ-CG2 4.21Å; I95-I97 WeakPolarHBondContact CD1-O 3.15Å; I97-V99 HydrophobicContact CG2-CG2 4.09Å; I97-R147 CarbonylContact C-O 3.58Å; I97-R147 VanDerWaalsContact CA-O 3.29Å; I97-R147 WeakPolarHBondContact CA-O 3.43Å; I97-R147 HydrophobicContact CG1-CB 4.19Å; I97-C228 HydrophobicContact CD1-CB 4.15Å; I97-C228 HydrophobicContact CG1-CB 4.33Å; I97-C228 HydrophobicContact CG2-CB 3.85Å; I97-C228 VanDerWaalsContact CG2-SG 3.52Å
98V98.7Very high93.9Very high0 Ų032.5 Ų32.50%018%0.179CC..EExtended strand (participates in β ladder)trans-125.4116.5173.9173.90000109.4I85 I95 V132 A136 M140 R147 I148 I149I85-V98 HydrophobicContact CD1-CG2 4.3Å; I95-V98 HydrophobicContact CD1-CG2 4.25Å; I95-V98 HydrophobicContact CG1-CG2 4Å; V98-V132 HydrophobicContact CG1-CG1 3.84Å; V98-A136 HydrophobicContact CG2-CB 3.78Å; V98-M140 HydrophobicContact CB-CE 4.23Å; V98-M140 HydrophobicContact CG2-CE 3.58Å; V98-R147 PolarHBondContact N-O 2.91Å; V98-I148 WeakPolarHBondContact O-CA 3.49Å; V98-I149 PolarHBondContact O-N 3.36Å
99V98.4Very high93.7Very high0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-106.9102175.3-176.60000109.3L13 V14 T15 Y25 F29 I97 N101 I149 V224L13-V99 PolarHBondContact O-N 3.06Å; V14-V99 HydrophobicContact CG1-CB 4.39Å; V14-V99 HydrophobicContact CG1-CG1 4.49Å; V14-V99 HydrophobicContact CG2-CB 4.31Å; V14-V99 HydrophobicContact CG2-CG2 4.45Å; T15-V99 PolarHBondContact N-O 3.24Å; T15-V99 PolarHBondContact OG1-O 3.07Å; Y25-V99 HydrophobicContact CD2-CG1 3.88Å; Y25-V99 HydrophobicContact CE2-CG1 4.23Å; F29-V99 HydrophobicContact CE2-CG2 4Å; F29-V99 HydrophobicContact CZ-CG2 4.47Å; I97-V99 HydrophobicContact CG2-CG2 4.09Å; V99-N101 HydrophobicContact CG1-CB 4.17Å; V99-N101 PolarHBondContact O-N 3.48Å; V99-N101 VanDerWaalsContact O-N 3.09Å; V99-I149 HydrophobicContact CG1-CB 4.19Å; V99-I149 HydrophobicContact CG1-CG2 4.28Å; V99-I149 HydrophobicContact CG2-CB 4.36Å; V99-I149 HydrophobicContact CG2-CG1 4.41Å; V99-V224 HydrophobicContact CG1-CG1 4.36Å; V99-V224 HydrophobicContact CG2-CG1 4.1Å
100N97.9Very high93.6Very high3 Ų340.8 Ų40.82%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-8185.3178.1-65.8-64.3000110.8T15 S129 T133 I149 M150 T151T15-N100 WeakPolarHBondContact OG1-CA 3.29Å; N100-S129 WeakPolarHBondContact CB-OG 3.17Å; N100-T133 PolarHBondContact ND2-OG1 3.35Å; N100-I149 WeakPolarHBondContact CB-O 3.02Å; N100-I149 PolarHBondContact N-O 2.99Å; N100-M150 HydrophobicContact CB-SD 3.98Å; N100-M150 PolarHBondContact ND2-SD 3.03Å; N100-M150 VanDerWaalsContact ND2-SD 3.36Å; N100-T151 WeakPolarHBondContact O-CB 3.17Å; N100-T151 PolarHBondContact O-N 2.97Å; N100-T151 PolarHBondContact O-OG1 3.47Å; N100-T151 VanDerWaalsContact O-OG1 3.07Å
101N94.9Very high93.5Very high23 Ų2340 Ų4012%0.12323%0.229CC..  trans-112.1-17-175.4167.284.4000114.3T15 G16 G22 Y25 V99 G103T15-N101 CarbonylContact O-C 3.57Å; T15-N101 VanDerWaalsContact O-CB 3.27Å; T15-N101 WeakPolarHBondContact O-CB 3.21Å; T15-N101 PolarHBondContact O-ND2 3.06Å; T15-N101 VanDerWaalsContact O-ND2 3.13Å; T15-N101 PolarHBondContact OG1-N 3.24Å; G16-N101 PolarHBondContact O-ND2 2.81Å; G22-N101 WeakPolarHBondContact CA-ND2 3.43Å; G22-N101 PolarHBondContact N-ND2 2.85Å; Y25-N101 HydrophobicContact CE2-CB 4.4Å; V99-N101 HydrophobicContact CG1-CB 4.17Å; V99-N101 PolarHBondContact O-N 3.48Å; V99-N101 VanDerWaalsContact O-N 3.09Å; N101-G103 PolarHBondContact O-N 3.3Å
102A90.1Very high93.5Very high5 Ų546.9 Ų46.94%0.04125%0.245CC..  trans-54.2139.4-179.900000112.6T15 V78T15-A102 PolarHBondContact O-N 3.13Å; T15-A102 VanDerWaalsContact O-N 3.08Å; T15-A102 PolarHBondContact OG1-N 3.07Å; V78-A102 HydrophobicContact CG1-CB 3.72Å
103G87.8Confident93.4Very high18 Ų1845.7 Ų45.719%0.18624%0.242CC..  trans-170.9159.7-175.800000114.7N101 H125N101-G103 PolarHBondContact O-N 3.3Å; G103-H125 WeakPolarHBondContact CA-CE1 3.35Å
104I88.1Confident93.3Very high3 Ų345.2 Ų45.22%0.01523%0.229CC..  trans-141.1166.5-179.952.7159.8000109.7L120 I121 V124 H125I104-L120 HydrophobicContact CD1-CB 4.32Å; I104-L120 HydrophobicContact CD1-CD2 3.63Å; I104-L120 HydrophobicContact CD1-CG 3.51Å; I104-I121 HydrophobicContact CD1-CD1 4.11Å; I104-I121 HydrophobicContact CG1-CD1 3.89Å; I104-I121 WeakPolarHBondContact O-CD1 3.5Å; I104-V124 HydrophobicContact CD1-CB 4.34Å; I104-V124 HydrophobicContact CD1-CG2 4Å; I104-V124 HydrophobicContact CG1-CB 4.18Å; I104-V124 HydrophobicContact CG1-CG1 4.22Å; I104-V124 HydrophobicContact CG1-CG2 4.3Å; I104-H125 PolarHBondContact N-NE2 3.49Å; I104-H125 PolarHBondContact O-NE2 3.04Å
105L85.1Confident93.3Very high18 Ų1847.6 Ų47.69%0.09425%0.248CC..  trans-123.1141.3174.7-72.2177000111.8T47 Y166 L202T47-L105 PolarHBondContact O-N 3.06Å; L105-Y166 HydrophobicContact CD2-CD1 4.48Å; L105-Y166 HydrophobicContact CD2-CD2 3.58Å; L105-Y166 HydrophobicContact CD2-CE1 4.46Å; L105-Y166 HydrophobicContact CD2-CE2 3.52Å; L105-Y166 HydrophobicContact CD2-CG 4.05Å; L105-L202 HydrophobicContact CB-CD2 4.4Å; L105-L202 HydrophobicContact CD1-CB 3.82Å; L105-L202 HydrophobicContact CD1-CD2 3.91Å; L105-L202 HydrophobicContact CD1-CG 4.36Å; L105-L202 WeakPolarHBondContact CD1-O 3.39Å; L105-L202 HydrophobicContact CG-CD2 3.96Å
106R85.5Confident93.1Very high53 Ų5352.5 Ų52.520%0.227%0.274CS..  trans-143.162.4175.3-72.3-58.6-170.5127.7-9.7109.8K48 R108 D117 I121 N165K48-R106 PolarHBondContact O-NE 3.25Å; K48-R106 PolarHBondContact O-NH2 3.44Å; R106-R108 PolarHBondContact O-N 2.78Å; R106-D117 HydrophobicContact CB-CB 3.99Å; R106-D117 WeakPolarHBondContact CD-OD1 3.47Å; R106-D117 HydrophobicContact CG-CB 4.45Å; R106-D117 IonicContact CZ-OD1 3.93Å; R106-D117 IonicContact NE-OD1 2.67Å; R106-D117 IonicContact NH1-OD1 3.75Å; R106-D117 PolarHBondContact NH1-OD1 3.12Å; R106-I121 HydrophobicContact CB-CD1 4.07Å; R106-I121 HydrophobicContact CB-CG1 4.02Å; R106-I121 HydrophobicContact CG-CD1 4.26Å; R106-I121 HydrophobicContact CG-CG1 4.41Å; R106-N165 PolarHBondContact O-ND2 3.46Å
107D86.9Confident92.7Very high51 Ų5153 Ų5327%0.27328%0.277SS..  trans-71.4122.4-174.1-56.5-25.4000110.9G162 Q163D107-G162 CarbonylContact C-O 3.56Å; D107-G162 WeakPolarHBondContact CA-O 3.41Å; D107-Q163 WeakPolarHBondContact OD1-CG 3.28Å; D107-Q163 PolarHBondContact OD1-NE2 3.29Å
108R88.1Confident92.6Very high104 Ų10457.7 Ų57.739%0.39229%0.294SS..BIsolated β-bridgetrans-148.4139.1180-66.1-65.2177.9-105.25.9108.3R106 F110 G162R106-R108 PolarHBondContact O-N 2.78Å; R108-F110 PolarHBondContact O-N 2.92Å; R108-G162 CarbonylContact C-O 3.56Å; R108-G162 PolarHBondContact N-O 3.45Å; R108-G162 CarbonylContact O-C 3.49Å; R108-G162 VanDerWaalsContact O-CA 3.26Å; R108-G162 WeakPolarHBondContact O-CA 3.45Å
109S90.9Very high92.4Very high41 Ų4161.4 Ų61.429%0.28731%0.314SS..  trans-52.7143.1164.358.70000109.3A111 R112 T113S109-A111 VanDerWaalsContact C-N 3.32Å; S109-A111 PolarHBondContact O-N 3.46Å; S109-A111 VanDerWaalsContact O-N 3.1Å; S109-R112 CarbonylContact O-C 3.54Å; S109-R112 WeakPolarHBondContact O-CA 3.43Å; S109-R112 PolarHBondContact O-N 3.43Å; S109-R112 WeakPolarHBondContact OG-CB 3.24Å; S109-R112 WeakPolarHBondContact OG-CD 3.46Å; S109-R112 WeakPolarHBondContact OG-CG 3.46Å; S109-T113 PolarHBondContact O-N 2.89Å
110F94.2Very high92.2Very high164 Ų16462.4 Ų62.472%0.71932%0.319SS*.G310 helixtrans-46.2-49.5-170.6-176-109000114.4R108 R112 T113 A164R108-F110 PolarHBondContact O-N 2.92Å; F110-R112 PolarHBondContact O-N 3.48Å; F110-R112 VanDerWaalsContact O-N 3.13Å; F110-T113 WeakPolarHBondContact O-CB 3.47Å; F110-T113 PolarHBondContact O-N 2.9Å; F110-T113 PolarHBondContact O-OG1 2.85Å; F110-A164 HydrophobicContact CD2-CB 3.71Å; F110-A164 HydrophobicContact CE2-CB 4.36Å
111A95.2Very high92Very high103 Ų10362.3 Ų62.385%0.85132%0.319SS*.G310 helixtrans-67.3-12.518000000115.2S109S109-A111 VanDerWaalsContact C-N 3.32Å; S109-A111 PolarHBondContact O-N 3.46Å; S109-A111 VanDerWaalsContact O-N 3.1Å
112R94.4Very high92.1Very high195 Ų19563 Ų6374%0.73632%0.321SS*.G310 helixtrans-109.23.6179.6-61.1-176.7-178.9175.2-0.1112.5S109 F110 S114S109-R112 CarbonylContact O-C 3.54Å; S109-R112 WeakPolarHBondContact O-CA 3.43Å; S109-R112 PolarHBondContact O-N 3.43Å; S109-R112 WeakPolarHBondContact OG-CB 3.24Å; S109-R112 WeakPolarHBondContact OG-CD 3.46Å; S109-R112 WeakPolarHBondContact OG-CG 3.46Å; F110-R112 PolarHBondContact O-N 3.48Å; F110-R112 VanDerWaalsContact O-N 3.13Å; R112-S114 PolarHBondContact O-N 3.34Å
113T94.3Very high92.4Very high30 Ų3066.8 Ų66.818%0.18434%0.335CS..  trans-72.4114172.9-580000108.1S109 F110 D117 W118 N165S109-T113 PolarHBondContact O-N 2.89Å; F110-T113 WeakPolarHBondContact O-CB 3.47Å; F110-T113 PolarHBondContact O-N 2.9Å; F110-T113 PolarHBondContact O-OG1 2.85Å; T113-D117 HydrophobicContact CG2-CB 4.26Å; T113-W118 HydrophobicContact CG2-CB 4.29Å; T113-N165 HydrophobicContact CG2-CB 4.33Å
114S95.6Very high92.7Very high52 Ų5266 Ų6636%0.36433%0.326SS..  trans-75.6157.5173.367.50000111R112 L116 D117 W118R112-S114 PolarHBondContact O-N 3.34Å; S114-L116 PolarHBondContact O-N 3.39Å; S114-D117 PolarHBondContact O-N 2.89Å; S114-D117 PolarHBondContact OG-N 3.33Å; S114-D117 VanDerWaalsContact OG-N 3.16Å; S114-D117 PolarHBondContact OG-OD2 3Å; S114-W118 PolarHBondContact O-N 3.12Å
115D96.7Very high93Very high136 Ų13666 Ų6673%0.72733%0.326SS*.Hα-helixtrans-54.2-39.4174.2-62-11.9000111.4W118 D119D115-W118 WeakPolarHBondContact O-CB 3.49Å; D115-W118 PolarHBondContact O-N 2.74Å; D115-D119 WeakPolarHBondContact O-CB 3.04Å; D115-D119 VanDerWaalsContact O-CG 3.32Å; D115-D119 PolarHBondContact O-N 3.36Å
116L94.6Very high93.7Very high103 Ų10367.5 Ų67.554%0.53933%0.334SS..Hα-helixtrans-64.2-43176.6-179.163.6000112.3S114 W118 L120S114-L116 PolarHBondContact O-N 3.39Å; L116-W118 VanDerWaalsContact C-N 3.27Å; L116-W118 PolarHBondContact O-N 3.21Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 PolarHBondContact O-N 3.41Å
117D91.3Very high94.3Very high10 Ų1070.7 Ų70.75%0.05335%0.346CS..Hα-helixtrans-65.6-32.6176.8-68.8-45.9000111.3R106 T113 S114 I121 N165R106-D117 HydrophobicContact CB-CB 3.99Å; R106-D117 WeakPolarHBondContact CD-OD1 3.47Å; R106-D117 HydrophobicContact CG-CB 4.45Å; R106-D117 IonicContact CZ-OD1 3.93Å; R106-D117 IonicContact NE-OD1 2.67Å; R106-D117 IonicContact NH1-OD1 3.75Å; R106-D117 PolarHBondContact NH1-OD1 3.12Å; T113-D117 HydrophobicContact CG2-CB 4.26Å; S114-D117 PolarHBondContact O-N 2.89Å; S114-D117 PolarHBondContact OG-N 3.33Å; S114-D117 VanDerWaalsContact OG-N 3.16Å; S114-D117 PolarHBondContact OG-OD2 3Å; D117-I121 VanDerWaalsContact O-CG1 3.25Å; D117-I121 WeakPolarHBondContact O-CG1 3.39Å; D117-N165 PolarHBondContact O-ND2 3.44Å
118W95.8Very high94.7Very high99 Ų9968.2 Ų68.238%0.37533%0.333SS..Hα-helixtrans-70.5-53.6174.4-179.7-89.1000112T113 S114 D115 L116 L120 I121 H122 N165 A168T113-W118 HydrophobicContact CG2-CB 4.29Å; S114-W118 PolarHBondContact O-N 3.12Å; D115-W118 WeakPolarHBondContact O-CB 3.49Å; D115-W118 PolarHBondContact O-N 2.74Å; L116-W118 VanDerWaalsContact C-N 3.27Å; L116-W118 PolarHBondContact O-N 3.21Å; W118-L120 PolarHBondContact O-N 2.92Å; W118-I121 PolarHBondContact O-N 2.93Å; W118-H122 AromaticContact CD1-ND1 3.79Å; W118-H122 AromaticContact CD2-CE1 3.64Å; W118-H122 AromaticContact CD2-ND1 3.87Å; W118-H122 AromaticContact CE2-CE1 3.18Å; W118-H122 AromaticContact CE2-ND1 3.57Å; W118-H122 AromaticContact CE2-NE2 3.89Å; W118-H122 AromaticContact CG-ND1 4Å; W118-H122 AromaticContact CH2-CE1 3.73Å; W118-H122 AromaticContact CZ2-CE1 3.23Å; W118-H122 WeakPolarHBondContact CZ2-CE1 3.29Å; W118-H122 AromaticContact CZ2-NE2 3.6Å; W118-H122 AromaticContact NE1-CE1 3.57Å; W118-H122 AromaticContact NE1-ND1 3.51Å; W118-H122 PolarHBondContact O-N 2.77Å; W118-H122 VanDerWaalsContact O-N 3.13Å; W118-H122 PolarHBondContact O-ND1 3.43Å; W118-N165 HydrophobicContact CD2-CB 4.38Å; W118-N165 HydrophobicContact CE3-CB 3.68Å; W118-N165 HydrophobicContact CZ3-CB 4.16Å; W118-A168 HydrophobicContact CH2-CB 3.94Å
119D95.6Very high95.2Very high78 Ų7863.6 Ų63.642%0.41732%0.316SS..Hα-helixtrans-64-41-175.1-77.6-10000112D115 H122 R123D115-D119 WeakPolarHBondContact O-CB 3.04Å; D115-D119 VanDerWaalsContact O-CG 3.32Å; D115-D119 PolarHBondContact O-N 3.36Å; D119-H122 PolarHBondContact O-N 2.79Å; D119-R123 VanDerWaalsContact O-CB 3.23Å; D119-R123 WeakPolarHBondContact O-CB 3.27Å; D119-R123 VanDerWaalsContact O-CG 3.23Å; D119-R123 WeakPolarHBondContact O-CG 3.39Å; D119-R123 PolarHBondContact O-N 2.96Å; D119-R123 PolarHBondContact O-NE 3.06Å
120L92.9Very high95.6Very high22 Ų2265.7 Ų65.712%0.11532%0.32CS..Hα-helixtrans-64.9-41.9-179.2-16669.4000111.3I104 L116 W118 R123 V124I104-L120 HydrophobicContact CD1-CB 4.32Å; I104-L120 HydrophobicContact CD1-CD2 3.63Å; I104-L120 HydrophobicContact CD1-CG 3.51Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 PolarHBondContact O-N 3.41Å; W118-L120 PolarHBondContact O-N 2.92Å; L120-R123 PolarHBondContact O-N 3.36Å; L120-V124 WeakPolarHBondContact O-CG2 3.19Å; L120-V124 PolarHBondContact O-N 3.17Å; L120-V124 VanDerWaalsContact O-N 3.08Å
121I94.6Very high95.8Very high0 Ų058.4 Ų58.40%029%0.289CS..Hα-helixtrans-61.2-48.6175.3-70.4-59.2000110.6I104 R106 D117 W118 H125 N165 A169I104-I121 HydrophobicContact CD1-CD1 4.11Å; I104-I121 HydrophobicContact CG1-CD1 3.89Å; I104-I121 WeakPolarHBondContact O-CD1 3.5Å; R106-I121 HydrophobicContact CB-CD1 4.07Å; R106-I121 HydrophobicContact CB-CG1 4.02Å; R106-I121 HydrophobicContact CG-CD1 4.26Å; R106-I121 HydrophobicContact CG-CG1 4.41Å; D117-I121 VanDerWaalsContact O-CG1 3.25Å; D117-I121 WeakPolarHBondContact O-CG1 3.39Å; W118-I121 PolarHBondContact O-N 2.93Å; I121-H125 WeakPolarHBondContact O-CB 3.31Å; I121-H125 PolarHBondContact O-CD2 3.46Å; I121-H125 VanDerWaalsContact O-CD2 3.24Å; I121-H125 PolarHBondContact O-N 3.15Å; I121-N165 HydrophobicContact CB-CB 4.31Å; I121-N165 HydrophobicContact CG1-CB 4.31Å; I121-N165 HydrophobicContact CG2-CB 4.3Å; I121-N165 WeakPolarHBondContact CG2-O 3.14Å; I121-A169 HydrophobicContact CG2-CB 3.77Å
122H97.3Very high95.9Very high38 Ų3853.5 Ų53.518%0.17625%0.248CC..Hα-helixtrans-67.6-38.2-179.1-74.679.8000112.9W118 D119 L126 R127 N165W118-H122 AromaticContact CD1-ND1 3.79Å; W118-H122 AromaticContact CD2-CE1 3.64Å; W118-H122 AromaticContact CD2-ND1 3.87Å; W118-H122 AromaticContact CE2-CE1 3.18Å; W118-H122 AromaticContact CE2-ND1 3.57Å; W118-H122 AromaticContact CE2-NE2 3.89Å; W118-H122 AromaticContact CG-ND1 4Å; W118-H122 AromaticContact CH2-CE1 3.73Å; W118-H122 AromaticContact CZ2-CE1 3.23Å; W118-H122 WeakPolarHBondContact CZ2-CE1 3.29Å; W118-H122 AromaticContact CZ2-NE2 3.6Å; W118-H122 AromaticContact NE1-CE1 3.57Å; W118-H122 AromaticContact NE1-ND1 3.51Å; W118-H122 PolarHBondContact O-N 2.77Å; W118-H122 VanDerWaalsContact O-N 3.13Å; W118-H122 PolarHBondContact O-ND1 3.43Å; D119-H122 PolarHBondContact O-N 2.79Å; H122-L126 PolarHBondContact O-N 3.39Å; H122-L126 VanDerWaalsContact O-N 3.12Å; H122-R127 PolarHBondContact O-N 2.97Å; H122-N165 PolarHBondContact CE1-O 2.72Å
123R95.7Very high96.1Very high85 Ų8544.3 Ų44.332%0.32121%0.214SC..Iπ-helixtrans-63.4-45.5177.9-79.4-176.2-63.7-164.60.1112.2E79 D119 L120 G128E79-R123 WeakPolarHBondContact OE2-CD 3.32Å; D119-R123 VanDerWaalsContact O-CB 3.23Å; D119-R123 WeakPolarHBondContact O-CB 3.27Å; D119-R123 VanDerWaalsContact O-CG 3.23Å; D119-R123 WeakPolarHBondContact O-CG 3.39Å; D119-R123 PolarHBondContact O-N 2.96Å; D119-R123 PolarHBondContact O-NE 3.06Å; L120-R123 PolarHBondContact O-N 3.36Å; R123-G128 PolarHBondContact O-N 3.3Å
124V93.1Very high96.4Very high2 Ų249.3 Ų49.31%0.01223%0.229CC..Iπ-helixtrans-75.6-50.1-178.2175.10000111.3L43 V78 I104 L120L43-V124 HydrophobicContact CD1-CG2 4Å; V78-V124 HydrophobicContact CG2-CG1 4.22Å; V78-V124 WeakPolarHBondContact CG2-O 3.47Å; I104-V124 HydrophobicContact CD1-CB 4.34Å; I104-V124 HydrophobicContact CD1-CG2 4Å; I104-V124 HydrophobicContact CG1-CB 4.18Å; I104-V124 HydrophobicContact CG1-CG1 4.22Å; I104-V124 HydrophobicContact CG1-CG2 4.3Å; L120-V124 WeakPolarHBondContact O-CG2 3.19Å; L120-V124 PolarHBondContact O-N 3.17Å; L120-V124 VanDerWaalsContact O-N 3.08Å
125H96Very high96.5Very high3 Ų347.2 Ų47.21%0.01422%0.215CC..Iπ-helixtrans-77.7-64.9-173-71.7-83.4000112.3G103 I104 I121 S129 Y166 A169 K170G103-H125 WeakPolarHBondContact CA-CE1 3.35Å; I104-H125 PolarHBondContact N-NE2 3.49Å; I104-H125 PolarHBondContact O-NE2 3.04Å; I121-H125 WeakPolarHBondContact O-CB 3.31Å; I121-H125 PolarHBondContact O-CD2 3.46Å; I121-H125 VanDerWaalsContact O-CD2 3.24Å; I121-H125 PolarHBondContact O-N 3.15Å; H125-S129 VanDerWaalsContact O-CB 3.29Å; H125-S129 WeakPolarHBondContact O-CB 3.48Å; H125-S129 PolarHBondContact O-N 2.86Å; H125-S129 PolarHBondContact O-OG 2.87Å; H125-Y166 AromaticContact CE1-CE2 3.65Å; H125-Y166 AromaticContact NE2-CD2 3.98Å; H125-Y166 AromaticContact NE2-CE2 3.8Å; H125-A169 HydrophobicContact CB-CB 4.02Å; H125-K170 WeakPolarHBondContact ND1-CE 3.31Å; H125-K170 PolarHBondContact ND1-NZ 3.17Å
126L98.2Very high96.6Very high48 Ų4840.7 Ų40.725%0.25118%0.18SC..Iπ-helixtrans-80.8-55.5-169.5-178.656.8000111.6H122 G128 S129 F130 L173H122-L126 PolarHBondContact O-N 3.39Å; H122-L126 VanDerWaalsContact O-N 3.12Å; L126-G128 PolarHBondContact O-N 2.77Å; L126-S129 PolarHBondContact O-N 2.84Å; L126-F130 PolarHBondContact O-N 3.17Å; L126-L173 HydrophobicContact CD1-CD2 3.95Å; L126-L173 HydrophobicContact CD1-CG 4.18Å
127R98.1Very high96.8Very high120 Ų12037 Ų3745%0.45316%0.159SC..Iπ-helixtrans-64.8-42.6-179-172-177.4-179.3-91.5-5.5111.2E79 H122 F130 L131E79-R127 IonicContact OE2-NH1 3.15Å; H122-R127 PolarHBondContact O-N 2.97Å; R127-F130 WeakPolarHBondContact O-CB 3.3Å; R127-F130 PolarHBondContact O-N 2.81Å; R127-L131 HydrophobicContact CG-CD1 3.93Å; R127-L131 HydrophobicContact CG-CG 4.35Å; R127-L131 VanDerWaalsContact O-CG 3.24Å; R127-L131 WeakPolarHBondContact O-CG 3.29Å; R127-L131 PolarHBondContact O-N 3.22Å
128G97Very high97.1Very high0 Ų041.1 Ų41.10%018%0.181CC..Hα-helixtrans-57.4-51.3176.500000112.1V78 R123 L126 F130 L131 V132V78-G128 WeakPolarHBondContact O-CA 3.37Å; R123-G128 PolarHBondContact O-N 3.3Å; L126-G128 PolarHBondContact O-N 2.77Å; G128-F130 VanDerWaalsContact C-N 3.3Å; G128-F130 PolarHBondContact O-N 3.42Å; G128-L131 PolarHBondContact O-N 3.02Å; G128-L131 VanDerWaalsContact O-N 3.13Å; G128-V132 WeakPolarHBondContact O-CG2 3.19Å; G128-V132 PolarHBondContact O-N 3.02Å
129S98.3Very high97.2Very high6 Ų639 Ų394%0.04218%0.175CC..Hα-helixtrans-60.3-39.6177.4-56.60000112.6N100 H125 L126 T133 L173N100-S129 WeakPolarHBondContact CB-OG 3.17Å; H125-S129 VanDerWaalsContact O-CB 3.29Å; H125-S129 WeakPolarHBondContact O-CB 3.48Å; H125-S129 PolarHBondContact O-N 2.86Å; H125-S129 PolarHBondContact O-OG 2.87Å; L126-S129 PolarHBondContact O-N 2.84Å; S129-T133 WeakPolarHBondContact O-CB 3.33Å; S129-T133 PolarHBondContact O-N 3.17Å; S129-T133 PolarHBondContact O-OG1 3.17Å; S129-L173 VanDerWaalsContact CB-CD2 3.45Å; S129-L173 WeakPolarHBondContact OG-CD2 3.47Å
130F98.7Very high97.4Very high85 Ų8535.2 Ų35.237%0.37316%0.155SC..Hα-helixtrans-59.1-49.3172.6160.6-106.6000111.8L126 R127 G128 T133 R134 L176L126-F130 PolarHBondContact O-N 3.17Å; R127-F130 WeakPolarHBondContact O-CB 3.3Å; R127-F130 PolarHBondContact O-N 2.81Å; G128-F130 VanDerWaalsContact C-N 3.3Å; G128-F130 PolarHBondContact O-N 3.42Å; F130-T133 PolarHBondContact O-N 3.19Å; F130-R134 HydrophobicContact CE2-CB 4.4Å; F130-R134 WeakPolarHBondContact O-CB 3.49Å; F130-R134 PolarHBondContact O-N 2.96Å; F130-L176 HydrophobicContact CB-CD2 4.07Å
131L98.5Very high97.6Very high11 Ų1137.4 Ų37.46%0.05816%0.163CC..Hα-helixtrans-65.4-45.2-176-69.1168.7000112.3E79 R127 G128 R134 A135E79-L131 VanDerWaalsContact O-CD1 3.28Å; E79-L131 WeakPolarHBondContact O-CD1 3.33Å; R127-L131 HydrophobicContact CG-CD1 3.93Å; R127-L131 HydrophobicContact CG-CG 4.35Å; R127-L131 VanDerWaalsContact O-CG 3.24Å; R127-L131 WeakPolarHBondContact O-CG 3.29Å; R127-L131 PolarHBondContact O-N 3.22Å; G128-L131 PolarHBondContact O-N 3.02Å; G128-L131 VanDerWaalsContact O-N 3.13Å; L131-R134 VanDerWaalsContact CD2-NH2 3.26Å; L131-R134 PolarHBondContact O-N 3.44Å; L131-A135 WeakPolarHBondContact O-CB 3.11Å; L131-A135 PolarHBondContact O-N 3.17Å
132V98.2Very high97.8Very high0 Ų045.9 Ų45.90%020%0.201CC..Hα-helixtrans-62.3-48.2177.31770000110.7L13 T15 V78 L84 I85 V98 G128 R134 A135 A136L13-V132 HydrophobicContact CD2-CG1 3.57Å; T15-V132 HydrophobicContact CG2-CG1 4.28Å; T15-V132 HydrophobicContact CG2-CG2 4.48Å; V78-V132 HydrophobicContact CB-CG2 4.22Å; V78-V132 HydrophobicContact CG1-CG2 4.35Å; L84-V132 HydrophobicContact CD2-CG2 3.82Å; I85-V132 HydrophobicContact CD1-CG1 4.38Å; V98-V132 HydrophobicContact CG1-CG1 3.84Å; G128-V132 WeakPolarHBondContact O-CG2 3.19Å; G128-V132 PolarHBondContact O-N 3.02Å; V132-R134 PolarHBondContact O-N 2.89Å; V132-A135 PolarHBondContact O-N 3.41Å; V132-A136 PolarHBondContact O-N 3.31Å; V132-A136 VanDerWaalsContact O-N 3.14Å
133T98.8Very high97.8Very high3 Ų347 Ų472%0.01821%0.206CC..Hα-helixtrans-66.3-40.2-178.9-53.40000111.6N100 S129 F130 A135 A136 W137 I148 M150 L180N100-T133 PolarHBondContact ND2-OG1 3.35Å; S129-T133 WeakPolarHBondContact O-CB 3.33Å; S129-T133 PolarHBondContact O-N 3.17Å; S129-T133 PolarHBondContact O-OG1 3.17Å; F130-T133 PolarHBondContact O-N 3.19Å; T133-A135 VanDerWaalsContact C-N 3.35Å; T133-A135 PolarHBondContact O-N 3.4Å; T133-A136 PolarHBondContact O-N 2.88Å; T133-W137 WeakPolarHBondContact O-CB 3.44Å; T133-W137 PolarHBondContact O-N 3.26Å; T133-I148 HydrophobicContact CG2-CD1 3.66Å; T133-I148 HydrophobicContact CG2-CG1 4.29Å; T133-I148 HydrophobicContact CG2-CG2 4.05Å; T133-M150 HydrophobicContact CG2-CE 4.32Å; T133-L180 HydrophobicContact CG2-CD1 3.81Å
134R98.7Very high97.9Very high135 Ų13547.4 Ų47.451%0.50921%0.214SC..Hα-helixtrans-60.4-43.7176.2-176.8-174.370.5-178.74.2111.7F130 L131 V132 A136 W137F130-R134 HydrophobicContact CE2-CB 4.4Å; F130-R134 WeakPolarHBondContact O-CB 3.49Å; F130-R134 PolarHBondContact O-N 2.96Å; L131-R134 VanDerWaalsContact CD2-NH2 3.26Å; L131-R134 PolarHBondContact O-N 3.44Å; V132-R134 PolarHBondContact O-N 2.89Å; R134-A136 VanDerWaalsContact C-N 3.32Å; R134-A136 PolarHBondContact O-N 3.46Å; R134-W137 WeakPolarHBondContact O-CB 3.48Å; R134-W137 PolarHBondContact O-N 3.06Å
135A98.5Very high98.2Very high7 Ų747.8 Ų47.86%0.05822%0.216CC..Hα-helixtrans-62.3-39.617700000111.6E82 I85 L131 V132 T133 H139E82-A135 WeakPolarHBondContact OE2-CB 3.36Å; I85-A135 HydrophobicContact CB-CB 4.06Å; I85-A135 HydrophobicContact CG1-CB 3.6Å; L131-A135 WeakPolarHBondContact O-CB 3.11Å; L131-A135 PolarHBondContact O-N 3.17Å; V132-A135 PolarHBondContact O-N 3.41Å; T133-A135 VanDerWaalsContact C-N 3.35Å; T133-A135 PolarHBondContact O-N 3.4Å; A135-H139 PolarHBondContact O-CD2 3.18Å
136A98.5Very high98.3Very high0 Ų047.7 Ų47.70%022%0.215CC..Hα-helixtrans-71.9-29177.900000114.1I85 I95 V98 V132 T133 R134 N138 H139 M140I85-A136 HydrophobicContact CD1-CB 3.62Å; I85-A136 HydrophobicContact CG1-CB 4.2Å; I95-A136 HydrophobicContact CG1-CB 4.47Å; I95-A136 HydrophobicContact CG2-CB 4.33Å; V98-A136 HydrophobicContact CG2-CB 3.78Å; V132-A136 PolarHBondContact O-N 3.31Å; V132-A136 VanDerWaalsContact O-N 3.14Å; T133-A136 PolarHBondContact O-N 2.88Å; R134-A136 VanDerWaalsContact C-N 3.32Å; R134-A136 PolarHBondContact O-N 3.46Å; A136-N138 PolarHBondContact O-N 2.64Å; A136-H139 WeakPolarHBondContact O-CB 3.04Å; A136-H139 PolarHBondContact O-N 2.93Å; A136-M140 HydrophobicContact CB-CE 4.1Å; A136-M140 HydrophobicContact CB-SD 4.44Å; A136-M140 PolarHBondContact O-N 2.95Å; A136-M140 VanDerWaalsContact O-N 3.08Å
137W98.6Very high98.3Very high26 Ų2645.4 Ų45.410%0.09820%0.203CC..Hα-helixtrans-55-49.6-163.1-169.6-111.3000114.2T133 R134 H139 M140 K141 I148 L180 E183 G184 I189T133-W137 WeakPolarHBondContact O-CB 3.44Å; T133-W137 PolarHBondContact O-N 3.26Å; R134-W137 WeakPolarHBondContact O-CB 3.48Å; R134-W137 PolarHBondContact O-N 3.06Å; W137-H139 VanDerWaalsContact C-N 3.28Å; W137-H139 PolarHBondContact O-N 3.36Å; W137-M140 PolarHBondContact O-N 3.02Å; W137-K141 HydrophobicContact CG-CD 4.38Å; W137-K141 WeakPolarHBondContact O-CG 3.2Å; W137-K141 PolarHBondContact O-N 3.34Å; W137-I148 HydrophobicContact CE3-CD1 3.99Å; W137-I148 HydrophobicContact CZ3-CD1 3.71Å; W137-L180 HydrophobicContact CE3-CD2 4.32Å; W137-L180 HydrophobicContact CH2-CB 4.33Å; W137-L180 HydrophobicContact CH2-CD2 4.06Å; W137-L180 WeakPolarHBondContact CH2-O 3.43Å; W137-L180 HydrophobicContact CZ3-CB 4.31Å; W137-L180 HydrophobicContact CZ3-CD2 3.92Å; W137-E183 HydrophobicContact CH2-CB 4.33Å; W137-E183 HydrophobicContact CZ2-CB 3.82Å; W137-G184 VanDerWaalsContact CH2-CA 3.5Å; W137-I189 HydrophobicContact CE3-CD1 4.46Å; W137-I189 HydrophobicContact CE3-CG2 4.29Å; W137-I189 HydrophobicContact CH2-CD1 4.5Å; W137-I189 HydrophobicContact CH2-CG2 4.13Å; W137-I189 HydrophobicContact CZ3-CD1 4.44Å; W137-I189 HydrophobicContact CZ3-CG2 3.65Å
138N98.3Very high98.4Very high96 Ų9639.8 Ų39.851%0.51318%0.182SC..Hα-helixtrans-68.7-28.8-177.4-74.9-31.4000112.4A136 K142A136-N138 PolarHBondContact O-N 2.64Å; N138-K142 VanDerWaalsContact O-CG 3.26Å; N138-K142 WeakPolarHBondContact O-CG 3.33Å; N138-K142 PolarHBondContact O-N 3.31Å; N138-K142 VanDerWaalsContact O-N 3.15Å
139H98.4Very high98.4Very high53 Ų5339.8 Ų39.825%0.24518%0.182CC..Hα-helixtrans-69.3-47.1173.6-60.6-82.6000110.4L89 I95 A135 A136 W137 K141 K142 Q143L89-H139 VanDerWaalsContact CD1-CE1 3.42Å; L89-H139 WeakPolarHBondContact CD1-CE1 3.23Å; I95-H139 HydrophobicContact CG2-CB 3.74Å; A135-H139 PolarHBondContact O-CD2 3.18Å; A136-H139 WeakPolarHBondContact O-CB 3.04Å; A136-H139 PolarHBondContact O-N 2.93Å; W137-H139 VanDerWaalsContact C-N 3.28Å; W137-H139 PolarHBondContact O-N 3.36Å; H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact O-N 3.07Å; H139-K142 PolarHBondContact O-N 3.17Å; H139-Q143 VanDerWaalsContact O-CG 3.25Å; H139-Q143 WeakPolarHBondContact O-CG 3.14Å; H139-Q143 PolarHBondContact O-N 3Å; H139-Q143 VanDerWaalsContact O-N 3.11Å; H139-Q143 PolarHBondContact O-NE2 3.27Å
140M98.6Very high98.5Very high0 Ų039.5 Ų39.50%018%0.18CC..Hα-helixtrans-61.1-42176.9-68.7179174.200111.8I95 D96 V98 A136 W137 K142 Q143 N144 F145 I148 I189I95-M140 HydrophobicContact CG1-CE 4.36Å; D96-M140 WeakPolarHBondContact O-CE 3.4Å; V98-M140 HydrophobicContact CB-CE 4.23Å; V98-M140 HydrophobicContact CG2-CE 3.58Å; A136-M140 HydrophobicContact CB-CE 4.1Å; A136-M140 HydrophobicContact CB-SD 4.44Å; A136-M140 PolarHBondContact O-N 2.95Å; A136-M140 VanDerWaalsContact O-N 3.08Å; W137-M140 PolarHBondContact O-N 3.02Å; M140-K142 PolarHBondContact O-N 3.22Å; M140-Q143 CarbonylContact O-C 3.58Å; M140-Q143 PolarHBondContact O-N 3.24Å; M140-N144 PolarHBondContact O-N 3.5Å; M140-F145 WeakPolarHBondContact CA-O 3.36Å; M140-F145 WeakPolarHBondContact CB-O 3.15Å; M140-F145 PolarHBondContact O-N 2.98Å; M140-I148 HydrophobicContact CE-CG1 4.28Å; M140-I148 HydrophobicContact SD-CD1 4.12Å; M140-I148 HydrophobicContact SD-CG1 4.07Å; M140-I189 HydrophobicContact CB-CD1 3.66Å; M140-I189 HydrophobicContact CB-CG1 4Å; M140-I189 HydrophobicContact SD-CG2 4.3Å
141K98.3Very high98.4Very high67 Ų6735.8 Ų35.829%0.29116%0.164SC..Hα-helixtrans-60.1-44.3176.6-77.2-177.462170.20112.6W137 H139 Q143 N144 Y187 I189W137-K141 HydrophobicContact CG-CD 4.38Å; W137-K141 WeakPolarHBondContact O-CG 3.2Å; W137-K141 PolarHBondContact O-N 3.34Å; H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact O-N 3.07Å; K141-Q143 VanDerWaalsContact C-N 3.29Å; K141-Q143 PolarHBondContact O-N 3.08Å; K141-N144 PolarHBondContact O-N 2.95Å; K141-Y187 HydrophobicContact CB-CG 4.49Å; K141-Y187 HydrophobicContact CD-CD2 4.26Å; K141-Y187 HydrophobicContact CD-CE2 4.28Å; K141-Y187 HydrophobicContact CG-CD1 4.49Å; K141-Y187 HydrophobicContact CG-CD2 4.04Å; K141-Y187 HydrophobicContact CG-CG 4.02Å; K141-I189 HydrophobicContact CB-CD1 4.37Å; K141-I189 HydrophobicContact CG-CD1 3.56Å
142K98.1Very high98.3Very high179 Ų17935.4 Ų35.478%0.77816%0.163SC*.Hα-helixtrans-64.3-35177.4-74.6172.4-177.61790112.2N138 H139 M140 N144N138-K142 VanDerWaalsContact O-CG 3.26Å; N138-K142 WeakPolarHBondContact O-CG 3.33Å; N138-K142 PolarHBondContact O-N 3.31Å; N138-K142 VanDerWaalsContact O-N 3.15Å; H139-K142 PolarHBondContact O-N 3.17Å; M140-K142 PolarHBondContact O-N 3.22Å; K142-N144 VanDerWaalsContact C-N 3.34Å
143Q97.3Very high98.1Very high61 Ų6136.3 Ų36.329%0.28517%0.17SC..Hα-helixtrans-82.2-11.4-179.9-66.9170.384.200113.5I95 H139 M140 K141 F145I95-Q143 PolarHBondContact O-NE2 3.18Å; H139-Q143 VanDerWaalsContact O-CG 3.25Å; H139-Q143 WeakPolarHBondContact O-CG 3.14Å; H139-Q143 PolarHBondContact O-N 3Å; H139-Q143 VanDerWaalsContact O-N 3.11Å; H139-Q143 PolarHBondContact O-NE2 3.27Å; M140-Q143 CarbonylContact O-C 3.58Å; M140-Q143 PolarHBondContact O-N 3.24Å; K141-Q143 VanDerWaalsContact C-N 3.29Å; K141-Q143 PolarHBondContact O-N 3.08Å; Q143-F145 PolarHBondContact O-N 3.42Å
144N98Very high97.8Very high93 Ų9337.6 Ų37.650%0.49718%0.18SC..THydrogen-bonded Turntrans53.737.2-173.1-153.520.4000112.8M140 K141 K142 Y187 N188M140-N144 PolarHBondContact O-N 3.5Å; K141-N144 PolarHBondContact O-N 2.95Å; K142-N144 VanDerWaalsContact C-N 3.34Å; N144-Y187 CarbonylContact C-O 3.57Å; N144-Y187 WeakPolarHBondContact CA-O 3.49Å; N144-Y187 WeakPolarHBondContact OD1-CA 3.42Å; N144-Y187 PolarHBondContact OD1-O 3.13Å; N144-Y187 VanDerWaalsContact OD1-O 3.06Å; N144-N188 WeakPolarHBondContact O-CB 3.46Å; N144-N188 PolarHBondContact O-ND2 3.43Å
145F98.6Very high97.4Very high11 Ų1131.6 Ų31.65%0.04816%0.16CC..  trans-157133.1176.9-174.5-91.1000109.8D96 M140 Q143 R147 Y187 E230D96-F145 HydrophobicContact CB-CD1 4Å; D96-F145 HydrophobicContact CB-CE1 3.96Å; D96-F145 WeakPolarHBondContact OD1-CD1 3.44Å; M140-F145 WeakPolarHBondContact CA-O 3.36Å; M140-F145 WeakPolarHBondContact CB-O 3.15Å; M140-F145 PolarHBondContact O-N 2.98Å; Q143-F145 PolarHBondContact O-N 3.42Å; F145-R147 HydrophobicContact CE1-CG 4.19Å; F145-R147 HydrophobicContact CZ-CG 3.97Å; F145-Y187 PolarHBondContact N-O 3.14Å; F145-E230 HydrophobicContact CE2-CB 3.64Å; F145-E230 HydrophobicContact CZ-CB 4.02Å
146G98.6Very high97.2Very high0 Ų031.6 Ų31.60%016%0.16CC..EExtended strand (participates in β ladder)trans-163.8145.7169.700000112.2D96 N188 I189 H190D96-G146 WeakPolarHBondContact O-CA 3.17Å; G146-N188 PolarHBondContact N-O 3.47Å; G146-I189 VanDerWaalsContact O-CA 3.31Å; G146-I189 WeakPolarHBondContact O-CA 3.27Å; G146-H190 PolarHBondContact O-N 3.18Å
147R98.8Very high97Very high1 Ų133.5 Ų33.50%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-132.8124.6171.9-59.8-73-177.4-92.18.7109.4D96 I97 V98 F145 N188 H190 C228 H229 E230 C232D96-R147 PolarHBondContact O-N 3.48Å; I97-R147 CarbonylContact C-O 3.58Å; I97-R147 VanDerWaalsContact CA-O 3.29Å; I97-R147 WeakPolarHBondContact CA-O 3.43Å; I97-R147 HydrophobicContact CG1-CB 4.19Å; V98-R147 PolarHBondContact N-O 2.91Å; F145-R147 HydrophobicContact CE1-CG 4.19Å; F145-R147 HydrophobicContact CZ-CG 3.97Å; R147-N188 PolarHBondContact NH1-O 2.86Å; R147-N188 PolarHBondContact NH1-OD1 2.88Å; R147-N188 PolarHBondContact NH2-OD1 2.96Å; R147-H190 CarbonylContact C-O 3.47Å; R147-H190 WeakPolarHBondContact CA-O 3.42Å; R147-C228 HydrophobicContact CB-CB 4.14Å; R147-C228 WeakPolarHBondContact CG-O 3.43Å; R147-H229 PolarHBondContact NE-O 3.22Å; R147-H229 VanDerWaalsContact NE-O 3.14Å; R147-E230 PolarHBondContact NH2-O 3.44Å; R147-C232 PolarHBondContact NH2-O 3.41Å
148I98.9Very high96.8Very high1 Ų139.1 Ų39.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-125.5131.5-174.5-59.2158.6000108.4V98 T133 W137 M140 M150 I189 H190 C191 N192V98-I148 WeakPolarHBondContact O-CA 3.49Å; T133-I148 HydrophobicContact CG2-CD1 3.66Å; T133-I148 HydrophobicContact CG2-CG1 4.29Å; T133-I148 HydrophobicContact CG2-CG2 4.05Å; W137-I148 HydrophobicContact CE3-CD1 3.99Å; W137-I148 HydrophobicContact CZ3-CD1 3.71Å; M140-I148 HydrophobicContact CE-CG1 4.28Å; M140-I148 HydrophobicContact SD-CD1 4.12Å; M140-I148 HydrophobicContact SD-CG1 4.07Å; I148-M150 HydrophobicContact CG2-CE 3.94Å; I148-I189 HydrophobicContact CD1-CG2 3.68Å; I148-I189 HydrophobicContact CG1-CG2 4.49Å; I148-H190 PolarHBondContact N-O 3.09Å; I148-C191 HydrophobicContact CB-CB 4.25Å; I148-C191 WeakPolarHBondContact O-CA 3.31Å; I148-N192 PolarHBondContact O-N 3.05Å
149I98.8Very high96.5Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-115.5129.2173.1-61.2-64.2000109.3V98 V99 N100 N192 I194 V224 L227 C228V98-I149 PolarHBondContact O-N 3.36Å; V99-I149 HydrophobicContact CG1-CB 4.19Å; V99-I149 HydrophobicContact CG1-CG2 4.28Å; V99-I149 HydrophobicContact CG2-CB 4.36Å; V99-I149 HydrophobicContact CG2-CG1 4.41Å; N100-I149 WeakPolarHBondContact CB-O 3.02Å; N100-I149 PolarHBondContact N-O 2.99Å; I149-N192 WeakPolarHBondContact CA-O 3.48Å; I149-N192 HydrophobicContact CD1-CB 4.1Å; I149-I194 HydrophobicContact CG2-CD1 4.1Å; I149-I194 HydrophobicContact CG2-CG1 3.91Å; I149-I194 HydrophobicContact CG2-CG2 4.43Å; I149-V224 HydrophobicContact CG1-CG1 4.4Å; I149-L227 HydrophobicContact CD1-CB 3.7Å; I149-L227 HydrophobicContact CD1-CD1 3.99Å; I149-C228 WeakPolarHBondContact CG1-SG 3.19Å
150M98.7Very high96.1Very high0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-104.5129.2168.6-62.5-59.4-176.400109.7N100 T133 I148 A152 L173 L176 A177 L180 N192 T193 I194N100-M150 HydrophobicContact CB-SD 3.98Å; N100-M150 PolarHBondContact ND2-SD 3.03Å; N100-M150 VanDerWaalsContact ND2-SD 3.36Å; T133-M150 HydrophobicContact CG2-CE 4.32Å; I148-M150 HydrophobicContact CG2-CE 3.94Å; M150-A152 PolarHBondContact O-N 3.12Å; M150-L173 HydrophobicContact CB-CB 4.41Å; M150-L173 HydrophobicContact SD-CD2 4.17Å; M150-L176 HydrophobicContact CE-CD2 3.81Å; M150-L176 HydrophobicContact CE-CG 4.16Å; M150-A177 HydrophobicContact CB-CB 4.39Å; M150-A177 HydrophobicContact CG-CB 3.92Å; M150-L180 HydrophobicContact CE-CD1 3.63Å; M150-N192 PolarHBondContact N-O 3.26Å; M150-T193 HydrophobicContact CB-CG2 4.31Å; M150-T193 CarbonylContact O-C 3.57Å; M150-T193 VanDerWaalsContact O-CA 3.3Å; M150-T193 WeakPolarHBondContact O-CA 3.49Å; M150-T193 WeakPolarHBondContact O-CG2 3.42Å; M150-I194 PolarHBondContact O-N 2.92Å
151T97.8Very high95.6Very high7 Ų747.1 Ų47.14%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-94.896.2177.2-570000110.6N100 K170 L173 I194 P196N100-T151 WeakPolarHBondContact O-CB 3.17Å; N100-T151 PolarHBondContact O-N 2.97Å; N100-T151 PolarHBondContact O-OG1 3.47Å; N100-T151 VanDerWaalsContact O-OG1 3.07Å; T151-K170 VanDerWaalsContact O-CD 3.3Å; T151-K170 WeakPolarHBondContact O-CD 3.4Å; T151-K170 PolarHBondContact O-NZ 3.41Å; T151-L173 WeakPolarHBondContact O-CD1 3.5Å; T151-I194 CarbonylContact C-O 3.54Å; T151-I194 HydrophobicContact CG2-CG1 4.47Å; T151-P196 HydrophobicContact CG2-CG 3.87Å
152A96.5Very high95.2Very high3 Ų344.6 Ų44.63%0.02523%0.232CC..  trans-77.4-154.2167.200000110.9M150 T193 I194M150-A152 PolarHBondContact O-N 3.12Å; A152-T193 HydrophobicContact CB-CG2 3.46Å; A152-T193 VanDerWaalsContact CB-CG2 3.46Å; A152-I194 CarbonylContact C-O 3.59Å; A152-I194 WeakPolarHBondContact CA-O 3.37Å; A152-I194 PolarHBondContact N-O 2.82Å
153S93.5Very high94.9Very high20 Ų2037 Ų3714%0.1420%0.199CC..  trans-166.2152.8176.4177.10000109.9A155 G156 I157S153-A155 PolarHBondContact O-N 3.47Å; S153-A155 PolarHBondContact OG-N 3.29Å; S153-G156 WeakPolarHBondContact O-CA 3.45Å; S153-G156 PolarHBondContact O-N 3.02Å; S153-I157 WeakPolarHBondContact O-CG1 3.06Å; S153-I157 PolarHBondContact O-N 2.83Å; S153-I157 VanDerWaalsContact O-N 3.13Å
154A92.4Very high94.8Very high30 Ų3035.4 Ų35.425%0.24820%0.196CC..Hα-helixtrans-53-35.6167.400000112.1G156 I157 Y158A154-G156 PolarHBondContact O-N 3.1Å; A154-I157 PolarHBondContact O-N 3.19Å; A154-I157 VanDerWaalsContact O-N 3.15Å; A154-Y158 HydrophobicContact CB-CD2 3.99Å; A154-Y158 HydrophobicContact CB-CE2 4.19Å; A154-Y158 WeakPolarHBondContact O-CD2 3.24Å; A154-Y158 PolarHBondContact O-N 3.44Å
155A91.1Very high94.6Very high9 Ų931 Ų317%0.07417%0.173CC..Hα-helixtrans-63.7-28.5174.900000113.1S153 G159 N160 Y166 S167S153-A155 PolarHBondContact O-N 3.47Å; S153-A155 PolarHBondContact OG-N 3.29Å; A155-G159 CarbonylContact O-C 3.58Å; A155-G159 WeakPolarHBondContact O-CA 3.47Å; A155-G159 PolarHBondContact O-N 3.11Å; A155-G159 VanDerWaalsContact O-N 3.16Å; A155-N160 HydrophobicContact CB-CB 3.8Å; A155-Y166 HydrophobicContact CB-CD1 4.23Å; A155-Y166 HydrophobicContact CB-CE1 4.29Å; A155-S167 WeakPolarHBondContact O-CB 3.34Å
156G92.8Very high94.4Very high7 Ų731.8 Ų31.87%0.07218%0.176CC..Hα-helixtrans-76.5-39.1172.300000112.6S153 A154S153-G156 WeakPolarHBondContact O-CA 3.45Å; S153-G156 PolarHBondContact O-N 3.02Å; A154-G156 PolarHBondContact O-N 3.1Å
157I95.7Very high94.2Very high40 Ų4032.9 Ų32.921%0.20518%0.183CC..Hα-helixtrans-74.1-47.9-175.9-61.2161.6000111.1S153 A154 L171 A195 L238 E240 L249S153-I157 WeakPolarHBondContact O-CG1 3.06Å; S153-I157 PolarHBondContact O-N 2.83Å; S153-I157 VanDerWaalsContact O-N 3.13Å; A154-I157 PolarHBondContact O-N 3.19Å; A154-I157 VanDerWaalsContact O-N 3.15Å; I157-L171 HydrophobicContact CG1-CD1 4.47Å; I157-A195 HydrophobicContact CD1-CB 3.63Å; I157-L238 HydrophobicContact CD1-CD1 4.32Å; I157-L238 HydrophobicContact CD1-CD2 4.2Å; I157-L238 HydrophobicContact CG1-CD2 4.45Å; I157-E240 HydrophobicContact CD1-CG 4.47Å; I157-L249 HydrophobicContact CD1-CD2 4.03Å; I157-L249 HydrophobicContact CG2-CD2 3.99Å
158Y94.4Very high94.2Very high144 Ų14434.7 Ų34.757%0.56520%0.198SC*.Hα-helixtrans-106.7-9.6-171.1-51.1-62.8000113.4A154 E240 L249A154-Y158 HydrophobicContact CB-CD2 3.99Å; A154-Y158 HydrophobicContact CB-CE2 4.19Å; A154-Y158 WeakPolarHBondContact O-CD2 3.24Å; A154-Y158 PolarHBondContact O-N 3.44Å; Y158-E240 WeakPolarHBondContact CE2-OE1 3.29Å; Y158-E240 PolarHBondContact OH-OE2 3.15Å; Y158-L249 WeakPolarHBondContact OH-CD2 3.32Å
159G91.3Very high94.1Very high44 Ų4434.6 Ų34.645%0.45420%0.198SC..  trans79.7156.3-168.900000112.5A155A155-G159 CarbonylContact O-C 3.58Å; A155-G159 WeakPolarHBondContact O-CA 3.47Å; A155-G159 PolarHBondContact O-N 3.11Å; A155-G159 VanDerWaalsContact O-N 3.16Å
160N90Very high94Very high86 Ų8635 Ų3546%0.4620%0.199SC..  trans-151.4144.4170.8-168.424.1000110.8A155 G162 Q163A155-N160 HydrophobicContact CB-CB 3.8Å; N160-G162 PolarHBondContact O-N 3.36Å; N160-Q163 HydrophobicContact CB-CB 4.38Å; N160-Q163 PolarHBondContact ND2-OE1 3.32Å; N160-Q163 PolarHBondContact O-N 3.28Å
161F88.7Confident94Very high186 Ų18638 Ų3882%0.81622%0.216SC*.THydrogen-bonded Turntrans-62.4132.9-177.7-176.6-89.7000111.1Q163F161-Q163 VanDerWaalsContact C-N 3.29Å; F161-Q163 PolarHBondContact O-N 3.29Å
162G89.3Confident94Very high14 Ų1438.9 Ų38.914%0.14423%0.226CC..THydrogen-bonded Turntrans75.612177.700000115.3D107 R108 N160D107-G162 CarbonylContact C-O 3.56Å; D107-G162 WeakPolarHBondContact CA-O 3.41Å; R108-G162 CarbonylContact C-O 3.56Å; R108-G162 PolarHBondContact N-O 3.45Å; R108-G162 CarbonylContact O-C 3.49Å; R108-G162 VanDerWaalsContact O-CA 3.26Å; R108-G162 WeakPolarHBondContact O-CA 3.45Å; N160-G162 PolarHBondContact O-N 3.36Å
163Q92.6Very high94.1Very high19 Ų1938.9 Ų38.99%0.08923%0.225CC..BIsolated β-bridgetrans-126.934.9-176-61.7-158.8-65.200113.1D107 N160 F161 N165 Y166 S167D107-Q163 WeakPolarHBondContact OD1-CG 3.28Å; D107-Q163 PolarHBondContact OD1-NE2 3.29Å; N160-Q163 HydrophobicContact CB-CB 4.38Å; N160-Q163 PolarHBondContact ND2-OE1 3.32Å; N160-Q163 PolarHBondContact O-N 3.28Å; F161-Q163 VanDerWaalsContact C-N 3.29Å; F161-Q163 PolarHBondContact O-N 3.29Å; Q163-N165 PolarHBondContact O-N 3.42Å; Q163-Y166 PolarHBondContact O-N 3.12Å; Q163-S167 VanDerWaalsContact O-CB 3.29Å; Q163-S167 WeakPolarHBondContact O-CB 3.44Å; Q163-S167 PolarHBondContact O-N 2.84Å; Q163-S167 PolarHBondContact O-OG 2.92Å
164A94.1Very high94.4Very high28 Ų2838.4 Ų38.423%0.23122%0.221CC..Hα-helixtrans-60.4-43.3-177.900000113.2F110 S167 A168F110-A164 HydrophobicContact CD2-CB 3.71Å; F110-A164 HydrophobicContact CE2-CB 4.36Å; A164-S167 WeakPolarHBondContact CA-OG 3.45Å; A164-S167 PolarHBondContact O-OG 3.12Å; A164-S167 VanDerWaalsContact O-OG 3.06Å; A164-A168 VanDerWaalsContact O-CB 3.26Å; A164-A168 WeakPolarHBondContact O-CB 3.47Å; A164-A168 PolarHBondContact O-N 3.06Å; A164-A168 VanDerWaalsContact O-N 3.13Å
165N95Very high94.7Very high0 Ų038.8 Ų38.80%023%0.228CC..Hα-helixtrans-61.1-46.417451.9-5.6000112.3R106 T113 D117 W118 I121 H122 Q163 A169R106-N165 PolarHBondContact O-ND2 3.46Å; T113-N165 HydrophobicContact CG2-CB 4.33Å; D117-N165 PolarHBondContact O-ND2 3.44Å; W118-N165 HydrophobicContact CD2-CB 4.38Å; W118-N165 HydrophobicContact CE3-CB 3.68Å; W118-N165 HydrophobicContact CZ3-CB 4.16Å; I121-N165 HydrophobicContact CB-CB 4.31Å; I121-N165 HydrophobicContact CG1-CB 4.31Å; I121-N165 HydrophobicContact CG2-CB 4.3Å; I121-N165 WeakPolarHBondContact CG2-O 3.14Å; H122-N165 PolarHBondContact CE1-O 2.72Å; Q163-N165 PolarHBondContact O-N 3.42Å; N165-A169 PolarHBondContact O-N 3.12Å
166Y94.2Very high95Very high29 Ų2940.1 Ų40.111%0.11423%0.233CC..Hα-helixtrans-69.6-47.7-177.8-177.1-97.9000112.3L105 H125 A155 Q163 A168 A169 K170L105-Y166 HydrophobicContact CD2-CD1 4.48Å; L105-Y166 HydrophobicContact CD2-CD2 3.58Å; L105-Y166 HydrophobicContact CD2-CE1 4.46Å; L105-Y166 HydrophobicContact CD2-CE2 3.52Å; L105-Y166 HydrophobicContact CD2-CG 4.05Å; H125-Y166 AromaticContact CE1-CE2 3.65Å; H125-Y166 AromaticContact NE2-CD2 3.98Å; H125-Y166 AromaticContact NE2-CE2 3.8Å; A155-Y166 HydrophobicContact CB-CD1 4.23Å; A155-Y166 HydrophobicContact CB-CE1 4.29Å; Q163-Y166 PolarHBondContact O-N 3.12Å; Y166-A168 PolarHBondContact O-N 3.06Å; Y166-A169 PolarHBondContact O-N 3.14Å; Y166-K170 HydrophobicContact CD1-CG 3.94Å; Y166-K170 HydrophobicContact CD2-CG 4.38Å; Y166-K170 HydrophobicContact CE1-CD 4.46Å; Y166-K170 HydrophobicContact CE1-CG 3.66Å; Y166-K170 HydrophobicContact CE2-CD 4.41Å; Y166-K170 VanDerWaalsContact CE2-CE 3.45Å; Y166-K170 HydrophobicContact CE2-CG 4.16Å; Y166-K170 HydrophobicContact CG-CG 4.31Å; Y166-K170 WeakPolarHBondContact O-CB 3.31Å; Y166-K170 VanDerWaalsContact O-CG 3.26Å; Y166-K170 WeakPolarHBondContact O-CG 3.41Å; Y166-K170 PolarHBondContact O-N 2.97Å; Y166-K170 WeakPolarHBondContact OH-CE 3.48Å
167S94.2Very high95.3Very high22 Ų2239.9 Ų39.915%0.15423%0.23CC..Hα-helixtrans-58.6-45.4177.254.80000111.8A155 Q163 A164 A169 K170 L171A155-S167 WeakPolarHBondContact O-CB 3.34Å; Q163-S167 VanDerWaalsContact O-CB 3.29Å; Q163-S167 WeakPolarHBondContact O-CB 3.44Å; Q163-S167 PolarHBondContact O-N 2.84Å; Q163-S167 PolarHBondContact O-OG 2.92Å; A164-S167 WeakPolarHBondContact CA-OG 3.45Å; A164-S167 PolarHBondContact O-OG 3.12Å; A164-S167 VanDerWaalsContact O-OG 3.06Å; S167-A169 PolarHBondContact O-N 2.86Å; S167-K170 PolarHBondContact O-N 3.45Å; S167-L171 PolarHBondContact O-N 3.3Å
168A97.6Very high95.4Very high39 Ų3941 Ų4132%0.32224%0.237SC..Hα-helixtrans-57.7-49.1175.200000112.1W118 A164 Y166 K170 G172W118-A168 HydrophobicContact CH2-CB 3.94Å; A164-A168 VanDerWaalsContact O-CB 3.26Å; A164-A168 WeakPolarHBondContact O-CB 3.47Å; A164-A168 PolarHBondContact O-N 3.06Å; A164-A168 VanDerWaalsContact O-N 3.13Å; Y166-A168 PolarHBondContact O-N 3.06Å; A168-K170 PolarHBondContact O-N 3.43Å; A168-G172 PolarHBondContact O-N 3.21Å
169A97.8Very high95.6Very high0 Ų037.7 Ų37.70%023%0.232CC..Hα-helixtrans-64.4-40178.400000112.5I121 H125 N165 Y166 S167 G172 L173I121-A169 HydrophobicContact CG2-CB 3.77Å; H125-A169 HydrophobicContact CB-CB 4.02Å; N165-A169 PolarHBondContact O-N 3.12Å; Y166-A169 PolarHBondContact O-N 3.14Å; S167-A169 PolarHBondContact O-N 2.86Å; A169-G172 PolarHBondContact O-N 3.35Å; A169-L173 WeakPolarHBondContact O-CG 3.45Å; A169-L173 PolarHBondContact O-N 2.82Å; A169-L173 VanDerWaalsContact O-N 3.14Å
170K97.4Very high96Very high7 Ų736.6 Ų36.63%0.0322%0.215CC..Hα-helixtrans-70.3-38.1-178.8-71.3-58-167.9165.40113.4H125 T151 Y166 S167 A168 L173H125-K170 WeakPolarHBondContact ND1-CE 3.31Å; H125-K170 PolarHBondContact ND1-NZ 3.17Å; T151-K170 VanDerWaalsContact O-CD 3.3Å; T151-K170 WeakPolarHBondContact O-CD 3.4Å; T151-K170 PolarHBondContact O-NZ 3.41Å; Y166-K170 HydrophobicContact CD1-CG 3.94Å; Y166-K170 HydrophobicContact CD2-CG 4.38Å; Y166-K170 HydrophobicContact CE1-CD 4.46Å; Y166-K170 HydrophobicContact CE1-CG 3.66Å; Y166-K170 HydrophobicContact CE2-CD 4.41Å; Y166-K170 VanDerWaalsContact CE2-CE 3.45Å; Y166-K170 HydrophobicContact CE2-CG 4.16Å; Y166-K170 HydrophobicContact CG-CG 4.31Å; Y166-K170 WeakPolarHBondContact O-CB 3.31Å; Y166-K170 VanDerWaalsContact O-CG 3.26Å; Y166-K170 WeakPolarHBondContact O-CG 3.41Å; Y166-K170 PolarHBondContact O-N 2.97Å; Y166-K170 WeakPolarHBondContact OH-CE 3.48Å; S167-K170 PolarHBondContact O-N 3.45Å; A168-K170 PolarHBondContact O-N 3.43Å; K170-L173 HydrophobicContact CD-CD1 4.12Å; K170-L173 WeakPolarHBondContact O-CB 3.5Å; K170-L173 PolarHBondContact O-N 3.4Å
171L97.9Very high96.4Very high65 Ų6532.7 Ų32.734%0.3420%0.195SC..Hα-helixtrans-77.5-29.2174-157.366.3000111.7I157 S167 L173 L174 G175I157-L171 HydrophobicContact CG1-CD1 4.47Å; S167-L171 PolarHBondContact O-N 3.3Å; L171-L173 PolarHBondContact O-N 3.08Å; L171-L174 HydrophobicContact CD1-CB 4.49Å; L171-L174 HydrophobicContact CD1-CD2 3.89Å; L171-L174 WeakPolarHBondContact O-CB 3.4Å; L171-L174 PolarHBondContact O-N 2.91Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L171-G175 PolarHBondContact O-N 2.89Å; L171-G175 VanDerWaalsContact O-N 3.12Å
172G98.5Very high96.8Very high25 Ų2529.8 Ų29.826%0.25819%0.187SC..Hα-helixtrans-58.7-34169.100000113.2A168 A169 G175 L176A168-G172 PolarHBondContact O-N 3.21Å; A169-G172 PolarHBondContact O-N 3.35Å; G172-G175 PolarHBondContact O-N 3.14Å; G172-L176 PolarHBondContact O-N 3.35Å
173L98.5Very high97.2Very high2 Ų234.3 Ų34.31%0.0120%0.204CC..Hα-helixtrans-64.7-37.5173.5-73.4170.3000112.7L126 S129 M150 T151 A169 K170 L171 L176 A177L126-L173 HydrophobicContact CD1-CD2 3.95Å; L126-L173 HydrophobicContact CD1-CG 4.18Å; S129-L173 VanDerWaalsContact CB-CD2 3.45Å; S129-L173 WeakPolarHBondContact OG-CD2 3.47Å; M150-L173 HydrophobicContact CB-CB 4.41Å; M150-L173 HydrophobicContact SD-CD2 4.17Å; T151-L173 WeakPolarHBondContact O-CD1 3.5Å; A169-L173 WeakPolarHBondContact O-CG 3.45Å; A169-L173 PolarHBondContact O-N 2.82Å; A169-L173 VanDerWaalsContact O-N 3.14Å; K170-L173 HydrophobicContact CD-CD1 4.12Å; K170-L173 WeakPolarHBondContact O-CB 3.5Å; K170-L173 PolarHBondContact O-N 3.4Å; L171-L173 PolarHBondContact O-N 3.08Å; L173-L176 PolarHBondContact O-N 3.28Å; L173-A177 WeakPolarHBondContact O-CB 3.5Å; L173-A177 PolarHBondContact O-N 2.86Å
174L98.5Very high97.5Very high11 Ų1133.4 Ų33.46%0.05820%0.2CC..Hα-helixtrans-64.1-43.8173.3175.563.4000110.7L171 L176 A177 N178 T193 L238L171-L174 HydrophobicContact CD1-CB 4.49Å; L171-L174 HydrophobicContact CD1-CD2 3.89Å; L171-L174 WeakPolarHBondContact O-CB 3.4Å; L171-L174 PolarHBondContact O-N 2.91Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L174-L176 PolarHBondContact O-N 2.99Å; L174-A177 PolarHBondContact O-N 3.2Å; L174-N178 PolarHBondContact O-N 3.4Å; L174-N178 PolarHBondContact O-ND2 3.28Å; L174-N178 PolarHBondContact O-OD1 3.16Å; L174-T193 HydrophobicContact CB-CG2 4.5Å; L174-T193 HydrophobicContact CD1-CG2 4.25Å; L174-L238 HydrophobicContact CD1-CB 4.25Å; L174-L238 HydrophobicContact CD1-CD1 4.31Å; L174-L238 HydrophobicContact CD1-CD2 4.36Å; L174-L238 HydrophobicContact CD2-CD2 3.87Å
175G98.3Very high97.6Very high37 Ų3740.1 Ų40.138%0.38122%0.22SC..Hα-helixtrans-57.6-43.9174.100000112.7L171 G172 N178L171-G175 PolarHBondContact O-N 2.89Å; L171-G175 VanDerWaalsContact O-N 3.12Å; G172-G175 PolarHBondContact O-N 3.14Å; G175-N178 PolarHBondContact O-N 3.26Å
176L98.6Very high97.6Very high38 Ų3848.4 Ų48.420%0.19926%0.256CS..Hα-helixtrans-61.8-46.2173.7176.962.5000111.7F130 M150 G172 L173 L174 N178 T179 L180F130-L176 HydrophobicContact CB-CD2 4.07Å; M150-L176 HydrophobicContact CE-CD2 3.81Å; M150-L176 HydrophobicContact CE-CG 4.16Å; G172-L176 PolarHBondContact O-N 3.35Å; L173-L176 PolarHBondContact O-N 3.28Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L174-L176 PolarHBondContact O-N 2.99Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 2.93Å; L176-T179 PolarHBondContact O-N 3.36Å; L176-L180 HydrophobicContact CD1-CD1 4.04Å; L176-L180 HydrophobicContact CD1-CG 4.18Å; L176-L180 HydrophobicContact CG-CD1 3.89Å; L176-L180 HydrophobicContact CG-CG 4.42Å; L176-L180 WeakPolarHBondContact O-CG 3.33Å; L176-L180 PolarHBondContact O-N 3.15Å; L176-L180 VanDerWaalsContact O-N 3.13Å
177A98.7Very high97.8Very high1 Ų150.6 Ų50.61%0.00826%0.264CS..Hα-helixtrans-60.1-41.3179.800000112.5M150 L173 L174 T179 L180 A181 T193M150-A177 HydrophobicContact CB-CB 4.39Å; M150-A177 HydrophobicContact CG-CB 3.92Å; L173-A177 WeakPolarHBondContact O-CB 3.5Å; L173-A177 PolarHBondContact O-N 2.86Å; L174-A177 PolarHBondContact O-N 3.2Å; A177-T179 VanDerWaalsContact C-N 3.33Å; A177-T179 PolarHBondContact O-N 2.92Å; A177-L180 PolarHBondContact O-N 3.06Å; A177-A181 WeakPolarHBondContact O-CB 3.5Å; A177-A181 PolarHBondContact O-N 3.05Å; A177-T193 WeakPolarHBondContact CB-OG1 3.46Å
178N98.3Very high98Very high65 Ų6552.1 Ų52.135%0.34827%0.271SS..Hα-helixtrans-56.2-46.1179.4-69.3-19.5000111.9L174 G175 L176 I182L174-N178 PolarHBondContact O-N 3.4Å; L174-N178 PolarHBondContact O-ND2 3.28Å; L174-N178 PolarHBondContact O-OD1 3.16Å; G175-N178 PolarHBondContact O-N 3.26Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 2.93Å; N178-I182 WeakPolarHBondContact O-CG1 3.35Å
179T98.6Very high98Very high73 Ų7350.3 Ų50.345%0.44826%0.255SS..Hα-helixtrans-69.5-44.7178.3-54.60000111.5L176 A177 A181 I182 E183L176-T179 PolarHBondContact O-N 3.36Å; A177-T179 VanDerWaalsContact C-N 3.33Å; A177-T179 PolarHBondContact O-N 2.92Å; T179-A181 VanDerWaalsContact C-N 3.29Å; T179-A181 PolarHBondContact O-N 3.06Å; T179-I182 WeakPolarHBondContact O-CB 3.27Å; T179-I182 PolarHBondContact O-N 2.97Å; T179-I182 VanDerWaalsContact O-N 3.08Å; T179-E183 HydrophobicContact CG2-CG 4.43Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.11Å; T179-E183 PolarHBondContact O-N 3.42Å
180L98.5Very high98.1Very high21 Ų2150.9 Ų50.911%0.1126%0.258CS..Hα-helixtrans-62-36.9179.4-67.2176.2000112.3T133 W137 M150 L176 A177 I182 E183 G184 C191T133-L180 HydrophobicContact CG2-CD1 3.81Å; W137-L180 HydrophobicContact CE3-CD2 4.32Å; W137-L180 HydrophobicContact CH2-CB 4.33Å; W137-L180 HydrophobicContact CH2-CD2 4.06Å; W137-L180 WeakPolarHBondContact CH2-O 3.43Å; W137-L180 HydrophobicContact CZ3-CB 4.31Å; W137-L180 HydrophobicContact CZ3-CD2 3.92Å; M150-L180 HydrophobicContact CE-CD1 3.63Å; L176-L180 HydrophobicContact CD1-CD1 4.04Å; L176-L180 HydrophobicContact CD1-CG 4.18Å; L176-L180 HydrophobicContact CG-CD1 3.89Å; L176-L180 HydrophobicContact CG-CG 4.42Å; L176-L180 WeakPolarHBondContact O-CG 3.33Å; L176-L180 PolarHBondContact O-N 3.15Å; L176-L180 VanDerWaalsContact O-N 3.13Å; A177-L180 PolarHBondContact O-N 3.06Å; L180-I182 PolarHBondContact O-N 2.87Å; L180-E183 PolarHBondContact O-N 3.17Å; L180-G184 PolarHBondContact O-N 2.9Å; L180-C191 HydrophobicContact CB-CB 4.05Å
181A98.4Very high98.1Very high5 Ų550.5 Ų50.54%0.04126%0.256CS..Hα-helixtrans-59.8-35.8175.500000112.3A177 T179 R185 C191 N235A177-A181 WeakPolarHBondContact O-CB 3.5Å; A177-A181 PolarHBondContact O-N 3.05Å; T179-A181 VanDerWaalsContact C-N 3.29Å; T179-A181 PolarHBondContact O-N 3.06Å; A181-R185 PolarHBondContact O-N 3.37Å; A181-C191 HydrophobicContact CB-CB 4.38Å; A181-N235 WeakPolarHBondContact CA-OD1 3.48Å; A181-N235 VanDerWaalsContact CB-OD1 3.24Å; A181-N235 WeakPolarHBondContact CB-OD1 3.37Å; A181-N235 PolarHBondContact O-ND2 3.3Å
182I97.7Very high98.2Very high125 Ų12547.5 Ų47.564%0.64124%0.24SC*.Hα-helixtrans-74.8-52.1177.8-62.5165.7000110.4N178 T179 L180 G184 R185N178-I182 WeakPolarHBondContact O-CG1 3.35Å; T179-I182 WeakPolarHBondContact O-CB 3.27Å; T179-I182 PolarHBondContact O-N 2.97Å; T179-I182 VanDerWaalsContact O-N 3.08Å; L180-I182 PolarHBondContact O-N 2.87Å; I182-G184 VanDerWaalsContact C-N 3.29Å; I182-G184 PolarHBondContact O-N 3.16Å; I182-R185 PolarHBondContact O-N 3.15Å
183E98.1Very high98.2Very high109 Ų10946.3 Ų46.351%0.50923%0.228SC..Hα-helixtrans-64.7-33.2-177.9-69.4-173.3-147.400113.1W137 T179 L180W137-E183 HydrophobicContact CH2-CB 4.33Å; W137-E183 HydrophobicContact CZ2-CB 3.82Å; T179-E183 HydrophobicContact CG2-CG 4.43Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.11Å; T179-E183 PolarHBondContact O-N 3.42Å; L180-E183 PolarHBondContact O-N 3.17Å
184G97.9Very high98.2Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-81.2-22.5-176.800000114.8W137 L180 I182 K186 Y187 N188 I189W137-G184 VanDerWaalsContact CH2-CA 3.5Å; L180-G184 PolarHBondContact O-N 2.9Å; I182-G184 VanDerWaalsContact C-N 3.29Å; I182-G184 PolarHBondContact O-N 3.16Å; G184-K186 VanDerWaalsContact C-N 3.33Å; G184-K186 PolarHBondContact O-N 3.26Å; G184-Y187 CarbonylContact O-C 3.55Å; G184-Y187 WeakPolarHBondContact O-CA 3.35Å; G184-Y187 PolarHBondContact O-N 3.36Å; G184-N188 PolarHBondContact O-N 2.74Å; G184-I189 CarbonylContact C-O 3.56Å; G184-I189 VanDerWaalsContact C-O 3.29Å; G184-I189 PolarHBondContact O-N 3.07Å; G184-I189 VanDerWaalsContact O-N 3.09Å
185R96.4Very high98.1Very high169 Ų16945.7 Ų45.764%0.63823%0.225SC*.G310 helixtrans-53.5-45.6-170.2-175.6-179.8-70.2-174-4.2113.1A181 I182 Y187 N188A181-R185 PolarHBondContact O-N 3.37Å; I182-R185 PolarHBondContact O-N 3.15Å; R185-Y187 PolarHBondContact O-N 3.44Å; R185-N188 PolarHBondContact O-N 2.91Å
186K95.8Very high97.9Very high174 Ų17445 Ų4576%0.75721%0.214SC*.G310 helixtrans-62.7-22.9-179.5-178.7174.7177.1178.90113.2G184G184-K186 VanDerWaalsContact C-N 3.33Å; G184-K186 PolarHBondContact O-N 3.26Å
187Y98Very high97.1Very high75 Ų7545.6 Ų45.629%0.29422%0.219SC..G310 helixtrans-106.215-175.4-53.5-75.3000112.7K141 N144 F145 G184 R185 I189K141-Y187 HydrophobicContact CB-CG 4.49Å; K141-Y187 HydrophobicContact CD-CD2 4.26Å; K141-Y187 HydrophobicContact CD-CE2 4.28Å; K141-Y187 HydrophobicContact CG-CD1 4.49Å; K141-Y187 HydrophobicContact CG-CD2 4.04Å; K141-Y187 HydrophobicContact CG-CG 4.02Å; N144-Y187 CarbonylContact C-O 3.57Å; N144-Y187 WeakPolarHBondContact CA-O 3.49Å; N144-Y187 WeakPolarHBondContact OD1-CA 3.42Å; N144-Y187 PolarHBondContact OD1-O 3.13Å; N144-Y187 VanDerWaalsContact OD1-O 3.06Å; F145-Y187 PolarHBondContact N-O 3.14Å; G184-Y187 CarbonylContact O-C 3.55Å; G184-Y187 WeakPolarHBondContact O-CA 3.35Å; G184-Y187 PolarHBondContact O-N 3.36Å; R185-Y187 PolarHBondContact O-N 3.44Å; Y187-I189 PolarHBondContact O-N 3.01Å
188N98Very high96.2Very high54 Ų5445.9 Ų45.929%0.28922%0.221SC..THydrogen-bonded Turntrans52.639.1-173.8179.830.6000112.1N144 G146 R147 G184 R185N144-N188 WeakPolarHBondContact O-CB 3.46Å; N144-N188 PolarHBondContact O-ND2 3.43Å; G146-N188 PolarHBondContact N-O 3.47Å; R147-N188 PolarHBondContact NH1-O 2.86Å; R147-N188 PolarHBondContact NH1-OD1 2.88Å; R147-N188 PolarHBondContact NH2-OD1 2.96Å; G184-N188 PolarHBondContact O-N 2.74Å; R185-N188 PolarHBondContact O-N 2.91Å
189I98.8Very high95Very high0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-104112.5171.9-55.3172.7000107.5W137 M140 K141 G146 I148 G184 Y187W137-I189 HydrophobicContact CE3-CD1 4.46Å; W137-I189 HydrophobicContact CE3-CG2 4.29Å; W137-I189 HydrophobicContact CH2-CD1 4.5Å; W137-I189 HydrophobicContact CH2-CG2 4.13Å; W137-I189 HydrophobicContact CZ3-CD1 4.44Å; W137-I189 HydrophobicContact CZ3-CG2 3.65Å; M140-I189 HydrophobicContact CB-CD1 3.66Å; M140-I189 HydrophobicContact CB-CG1 4Å; M140-I189 HydrophobicContact SD-CG2 4.3Å; K141-I189 HydrophobicContact CB-CD1 4.37Å; K141-I189 HydrophobicContact CG-CD1 3.56Å; G146-I189 VanDerWaalsContact O-CA 3.31Å; G146-I189 WeakPolarHBondContact O-CA 3.27Å; I148-I189 HydrophobicContact CD1-CG2 3.68Å; I148-I189 HydrophobicContact CG1-CG2 4.49Å; G184-I189 CarbonylContact C-O 3.56Å; G184-I189 VanDerWaalsContact C-O 3.29Å; G184-I189 PolarHBondContact O-N 3.07Å; G184-I189 VanDerWaalsContact O-N 3.09Å; Y187-I189 PolarHBondContact O-N 3.01Å
190H98.8Very high93.7Very high12 Ų1241.2 Ų41.26%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-102.2136.8178.7-56.2170.3000109.9G146 R147 I148 C232 N235G146-H190 PolarHBondContact O-N 3.18Å; R147-H190 CarbonylContact C-O 3.47Å; R147-H190 WeakPolarHBondContact CA-O 3.42Å; I148-H190 PolarHBondContact N-O 3.09Å; H190-C232 PolarHBondContact CE1-O 3.07Å; H190-C232 VanDerWaalsContact CE1-O 3.3Å; H190-C232 PolarHBondContact ND1-O 3.5Å; H190-C232 VanDerWaalsContact ND1-O 3.15Å; H190-N235 WeakPolarHBondContact CA-OD1 3.1Å; H190-N235 HydrophobicContact CB-CB 4.07Å
191C98.8Very high92.3Very high0 Ų045.4 Ų45.40%021%0.213CC..EExtended strand (participates in β ladder)trans-124.3117.3175.8-1680000108.8I148 L180 A181 N235 G236I148-C191 HydrophobicContact CB-CB 4.25Å; I148-C191 WeakPolarHBondContact O-CA 3.31Å; L180-C191 HydrophobicContact CB-CB 4.05Å; A181-C191 HydrophobicContact CB-CB 4.38Å; C191-N235 PolarHBondContact N-OD1 3.15Å; C191-N235 PolarHBondContact O-OD1 3.23Å; C191-G236 WeakPolarHBondContact O-CA 3.44Å; C191-G236 PolarHBondContact O-N 3.24Å
192N98.9Very high90.9Very high1 Ų147.6 Ų47.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-123.3156.6178.6-66-62000110.3I148 I149 M150 L227 E234 N235 G236 G237I148-N192 PolarHBondContact O-N 3.05Å; I149-N192 WeakPolarHBondContact CA-O 3.48Å; I149-N192 HydrophobicContact CD1-CB 4.1Å; M150-N192 PolarHBondContact N-O 3.26Å; N192-L227 HydrophobicContact CB-CD1 4.09Å; N192-L227 HydrophobicContact CB-CD2 4.32Å; N192-E234 PolarHBondContact ND2-O 2.93Å; N192-N235 WeakPolarHBondContact OD1-CA 3.43Å; N192-N235 PolarHBondContact OD1-N 3.42Å; N192-G236 PolarHBondContact OD1-N 3.22Å; N192-G237 PolarHBondContact OD1-N 2.94Å
193T98.8Very high89.4Confident1 Ų143 Ų431%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-117.8136.6-178.1-54.50000110.2M150 A152 L174 A177 G237 L238 F239M150-T193 HydrophobicContact CB-CG2 4.31Å; M150-T193 CarbonylContact O-C 3.57Å; M150-T193 VanDerWaalsContact O-CA 3.3Å; M150-T193 WeakPolarHBondContact O-CA 3.49Å; M150-T193 WeakPolarHBondContact O-CG2 3.42Å; A152-T193 HydrophobicContact CB-CG2 3.46Å; A152-T193 VanDerWaalsContact CB-CG2 3.46Å; L174-T193 HydrophobicContact CB-CG2 4.5Å; L174-T193 HydrophobicContact CD1-CG2 4.25Å; A177-T193 WeakPolarHBondContact CB-OG1 3.46Å; T193-G237 PolarHBondContact N-O 3.19Å; T193-L238 HydrophobicContact CG2-CD1 3.69Å; T193-L238 WeakPolarHBondContact O-CA 3.2Å; T193-F239 PolarHBondContact O-N 2.98Å
194I98.3Very high88.2Confident0 Ų043.5 Ų43.50%020%0.203CC..EExtended strand (participates in β ladder)trans-116.4146.3172.961.7165.7000110.9Y25 I149 M150 T151 A152 P196 V220 L223 V224 L227 F239Y25-I194 WeakPolarHBondContact OH-CD1 3.24Å; I149-I194 HydrophobicContact CG2-CD1 4.1Å; I149-I194 HydrophobicContact CG2-CG1 3.91Å; I149-I194 HydrophobicContact CG2-CG2 4.43Å; M150-I194 PolarHBondContact O-N 2.92Å; T151-I194 CarbonylContact C-O 3.54Å; T151-I194 HydrophobicContact CG2-CG1 4.47Å; A152-I194 CarbonylContact C-O 3.59Å; A152-I194 WeakPolarHBondContact CA-O 3.37Å; A152-I194 PolarHBondContact N-O 2.82Å; I194-P196 HydrophobicContact CD1-CG 4.45Å; I194-V220 HydrophobicContact CD1-CG1 4.43Å; I194-L223 HydrophobicContact CG2-CD2 4.1Å; I194-V224 HydrophobicContact CD1-CG2 3.73Å; I194-L227 HydrophobicContact CG2-CD1 4.01Å; I194-F239 CarbonylContact C-O 3.43Å; I194-F239 WeakPolarHBondContact CA-O 3.48Å
195A96.8Very high86.7Confident0 Ų048.6 Ų48.60%023%0.234CC..EExtended strand (participates in β ladder)trans-120.18517000000107.6I157 F239 E240 A241I157-A195 HydrophobicContact CD1-CB 3.63Å; A195-F239 PolarHBondContact N-O 2.67Å; A195-E240 HydrophobicContact CB-CG 3.81Å; A195-E240 WeakPolarHBondContact O-CA 3.37Å; A195-A241 PolarHBondContact O-N 3.36Å
196P93.1Very high85.4Confident21 Ų2145 Ų4514%0.13623%0.231CC..EExtended strand (participates in β ladder)trans-79.3147.3-17232.5-36.1000112.2L21 T151 I194 V220 A241L21-P196 HydrophobicContact CD1-CB 3.74Å; L21-P196 HydrophobicContact CD1-CG 3.68Å; T151-P196 HydrophobicContact CG2-CG 3.87Å; I194-P196 HydrophobicContact CD1-CG 4.45Å; P196-V220 HydrophobicContact CB-CG1 3.96Å; P196-V220 HydrophobicContact CB-CG2 4.28Å; P196-A241 CarbonylContact C-O 3.52Å; P196-A241 WeakPolarHBondContact CA-O 3.34Å
197V82.4Confident84.4Confident52 Ų5239 Ų3932%0.31521%0.207SC..  trans-11999.6170.5-175.70000107.9M207 L215 A241 G242V197-M207 HydrophobicContact CG1-CE 4.36Å; V197-L215 HydrophobicContact CG1-CD1 4.03Å; V197-L215 HydrophobicContact CG1-CD2 4.44Å; V197-A241 PolarHBondContact N-O 2.79Å; V197-G242 WeakPolarHBondContact O-CA 3.44Å
198A78.9Confident83.4Confident7 Ų739.3 Ų39.36%0.05822%0.217CC..  trans-141.5145.7-179.400000112L21 S200 T203 L215L21-A198 HydrophobicContact CD1-CB 4.19Å; L21-A198 HydrophobicContact CD2-CB 3.76Å; L21-A198 HydrophobicContact CG-CB 4.03Å; A198-S200 PolarHBondContact O-N 3.23Å; A198-T203 WeakPolarHBondContact O-CG2 3.41Å; A198-T203 PolarHBondContact O-OG1 3.41Å; A198-L215 CarbonylContact C-O 3.5Å; A198-L215 WeakPolarHBondContact CA-O 3.48Å
199G73.6Confident82.5Confident9 Ų941.9 Ų41.99%0.09324%0.237CC..  trans-64.1122.216600000110T203 L215G199-T203 WeakPolarHBondContact CA-OG1 3.4Å; G199-L215 PolarHBondContact N-O 2.85Å
200S71.4Confident81.6Confident30 Ų3048.2 Ų48.221%0.2127%0.271CS..SBendtrans-155170.6175.671.70000108.6A198 L202 T203 E204A198-S200 PolarHBondContact O-N 3.23Å; S200-L202 PolarHBondContact O-N 3.43Å; S200-L202 PolarHBondContact OG-N 2.84Å; S200-T203 PolarHBondContact N-OG1 2.88Å; S200-T203 PolarHBondContact O-N 3.46Å; S200-T203 PolarHBondContact O-OG1 3.29Å; S200-T203 VanDerWaalsContact O-OG1 3.14Å; S200-E204 PolarHBondContact O-N 2.9Å; S200-E204 VanDerWaalsContact O-N 3.12Å
201R69.4Low80.5Confident110 Ų11051.5 Ų51.542%0.41529%0.289SS..THydrogen-bonded Turntrans-51.4-26.5170.9-163.7179.866.4134.9-7.9113.7G44 V45 T47G44-R201 PolarHBondContact O-NH2 2.92Å; V45-R201 PolarHBondContact O-NH1 2.82Å; T47-R201 HydrophobicContact CG2-CB 4.43Å; T47-R201 HydrophobicContact CG2-CG 3.67Å; T47-R201 VanDerWaalsContact CG2-CZ 3.46Å; T47-R201 VanDerWaalsContact N-NH1 3.2Å
202L68.8Low79.5Confident50 Ų5052.6 Ų52.626%0.26230%0.295SS..THydrogen-bonded Turntrans-80.2-22.3178-63.6178.1000113.3T47 L105 S200T47-L202 HydrophobicContact CG2-CD2 3.9Å; L105-L202 HydrophobicContact CB-CD2 4.4Å; L105-L202 HydrophobicContact CD1-CB 3.82Å; L105-L202 HydrophobicContact CD1-CD2 3.91Å; L105-L202 HydrophobicContact CD1-CG 4.36Å; L105-L202 WeakPolarHBondContact CD1-O 3.39Å; L105-L202 HydrophobicContact CG-CD2 3.96Å; S200-L202 PolarHBondContact O-N 3.43Å; S200-L202 PolarHBondContact OG-N 2.84Å
203T67.1Low78.6Confident29 Ų2955.9 Ų55.918%0.17832%0.322CS..THydrogen-bonded Turntrans-104.1-10.1-177.4480000113.5A198 G199 S200 T205 V206 M207A198-T203 WeakPolarHBondContact O-CG2 3.41Å; A198-T203 PolarHBondContact O-OG1 3.41Å; G199-T203 WeakPolarHBondContact CA-OG1 3.4Å; S200-T203 PolarHBondContact N-OG1 2.88Å; S200-T203 PolarHBondContact O-N 3.46Å; S200-T203 PolarHBondContact O-OG1 3.29Å; S200-T203 VanDerWaalsContact O-OG1 3.14Å; T203-T205 PolarHBondContact O-N 3.14Å; T203-V206 VanDerWaalsContact O-CG2 3.28Å; T203-V206 WeakPolarHBondContact O-CG2 3.47Å; T203-V206 PolarHBondContact O-N 3.06Å; T203-V206 VanDerWaalsContact O-N 3.1Å; T203-M207 HydrophobicContact CG2-CE 4.36Å; T203-M207 PolarHBondContact O-N 3.31Å
204E71.3Confident77.9Confident119 Ų11959.3 Ų59.356%0.55635%0.346SS*.THydrogen-bonded Turntrans-56.4-29.6173.3-78.7169.7-161.700114S200 V206 V212S200-E204 PolarHBondContact O-N 2.9Å; S200-E204 VanDerWaalsContact O-N 3.12Å; E204-V206 VanDerWaalsContact C-N 3.28Å; E204-V206 PolarHBondContact O-N 2.91Å; E204-V212 HydrophobicContact CG-CG1 4.15Å
205T67.8Low77.3Confident107 Ų10760 Ų6066%0.65635%0.35SS*.THydrogen-bonded Turntrans-77.5-13.5-179.951.90000113.5T203T203-T205 PolarHBondContact O-N 3.14Å
206V69Low76.9Confident94 Ų9464.9 Ų64.957%0.5737%0.371SS*.THydrogen-bonded Turntrans-126.5-7-171.7-65.20000113.9T203 E204T203-V206 VanDerWaalsContact O-CG2 3.28Å; T203-V206 WeakPolarHBondContact O-CG2 3.47Å; T203-V206 PolarHBondContact O-N 3.06Å; T203-V206 VanDerWaalsContact O-N 3.1Å; E204-V206 VanDerWaalsContact C-N 3.28Å; E204-V206 PolarHBondContact O-N 2.91Å
207M74.4Confident76.7Confident49 Ų4965 Ų6524%0.24137%0.372CS..SBendtrans-126.4147.2-178.7-69.2179.6-173.700111.9V197 T203 L211 V212 L215V197-M207 HydrophobicContact CG1-CE 4.36Å; T203-M207 HydrophobicContact CG2-CE 4.36Å; T203-M207 PolarHBondContact O-N 3.31Å; M207-L211 HydrophobicContact CG-CD2 4.45Å; M207-V212 HydrophobicContact CB-CG2 3.61Å; M207-L215 HydrophobicContact CE-CD1 4.26Å; M207-L215 HydrophobicContact SD-CD1 3.72Å
208P77.9Confident77.1Confident80 Ų8066.6 Ų66.652%0.51938%0.376SS..  trans-59.8146.5170.3-22.733.6000112.2D210 L211 V212P208-D210 VanDerWaalsContact C-N 3.31Å; P208-D210 PolarHBondContact O-N 2.8Å; P208-L211 WeakPolarHBondContact O-CB 3.28Å; P208-L211 PolarHBondContact O-N 3.46Å; P208-V212 PolarHBondContact O-N 3.13Å
209P78.3Confident77.8Confident108 Ų10871 Ų7170%0.70139%0.392SS*.Hα-helixtrans-54.3-41-177.2-28.235.3000114.6L211 V212 A213P209-L211 VanDerWaalsContact C-N 3.29Å; P209-L211 PolarHBondContact O-N 3.49Å; P209-V212 PolarHBondContact O-N 3.08Å; P209-A213 PolarHBondContact O-N 2.94Å
210D78.8Confident78.9Confident134 Ų13470.5 Ų70.572%0.71739%0.387SS*.Hα-helixtrans-65.9-33.7-179.8-60.8-27.6000112.3P208 S214P208-D210 VanDerWaalsContact C-N 3.31Å; P208-D210 PolarHBondContact O-N 2.8Å; D210-S214 WeakPolarHBondContact O-CB 3.26Å; D210-S214 PolarHBondContact O-N 3.37Å; D210-S214 VanDerWaalsContact O-N 3.15Å; D210-S214 PolarHBondContact O-OG 3.06Å
211L76.5Confident80Confident81 Ų8169.2 Ų69.242%0.42438%0.378SS..Hα-helixtrans-74.3-40.4176.9-173.561.2000111M207 P208 P209 A213 S214 L215M207-L211 HydrophobicContact CG-CD2 4.45Å; P208-L211 WeakPolarHBondContact O-CB 3.28Å; P208-L211 PolarHBondContact O-N 3.46Å; P209-L211 VanDerWaalsContact C-N 3.29Å; P209-L211 PolarHBondContact O-N 3.49Å; L211-A213 VanDerWaalsContact C-N 3.32Å; L211-A213 PolarHBondContact O-N 3.46Å; L211-S214 PolarHBondContact O-N 2.87Å; L211-L215 HydrophobicContact CD1-CD1 4.06Å; L211-L215 HydrophobicContact CD1-CG 4.16Å; L211-L215 HydrophobicContact CD2-CD1 4.48Å; L211-L215 HydrophobicContact CG-CD1 3.85Å; L211-L215 HydrophobicContact CG-CG 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 2.88Å
212V78.9Confident81.4Confident23 Ų2367.7 Ų67.714%0.13938%0.383CS..Hα-helixtrans-58.5-45.1172.8175.10000110.6E204 M207 P208 P209 S214 L215E204-V212 HydrophobicContact CG-CG1 4.15Å; M207-V212 HydrophobicContact CB-CG2 3.61Å; P208-V212 PolarHBondContact O-N 3.13Å; P209-V212 PolarHBondContact O-N 3.08Å; V212-S214 VanDerWaalsContact C-N 3.26Å; V212-S214 PolarHBondContact O-N 3.11Å; V212-L215 PolarHBondContact O-N 3.2Å
213A78.8Confident82.8Confident69 Ų6965.7 Ų65.757%0.5737%0.372SS*.Hα-helixtrans-64.7-30178.200000113.2P209 L211P209-A213 PolarHBondContact O-N 2.94Å; L211-A213 VanDerWaalsContact C-N 3.32Å; L211-A213 PolarHBondContact O-N 3.46Å
214S83.5Confident84.2Confident73 Ų7364.3 Ų64.351%0.5136%0.364SS..Hα-helixtrans-83.2-29.9-179.3-60.20000113.1D210 L211 V212 K216 Y219D210-S214 WeakPolarHBondContact O-CB 3.26Å; D210-S214 PolarHBondContact O-N 3.37Å; D210-S214 VanDerWaalsContact O-N 3.15Å; D210-S214 PolarHBondContact O-OG 3.06Å; L211-S214 PolarHBondContact O-N 2.87Å; V212-S214 VanDerWaalsContact C-N 3.26Å; V212-S214 PolarHBondContact O-N 3.11Å; S214-K216 VanDerWaalsContact C-N 3.26Å; S214-K216 PolarHBondContact O-N 3.06Å; S214-Y219 WeakPolarHBondContact O-CE2 3.36Å
215L86.1Confident85.5Confident16 Ų1659 Ų598%0.08434%0.339CS..SBendtrans-84.564.6-178.9-70.3173.9000111.9V197 A198 G199 M207 L211 V212 A243V197-L215 HydrophobicContact CG1-CD1 4.03Å; V197-L215 HydrophobicContact CG1-CD2 4.44Å; A198-L215 CarbonylContact C-O 3.5Å; A198-L215 WeakPolarHBondContact CA-O 3.48Å; G199-L215 PolarHBondContact N-O 2.85Å; M207-L215 HydrophobicContact CE-CD1 4.26Å; M207-L215 HydrophobicContact SD-CD1 3.72Å; L211-L215 HydrophobicContact CD1-CD1 4.06Å; L211-L215 HydrophobicContact CD1-CG 4.16Å; L211-L215 HydrophobicContact CD2-CD1 4.48Å; L211-L215 HydrophobicContact CG-CD1 3.85Å; L211-L215 HydrophobicContact CG-CG 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 2.88Å; V212-L215 PolarHBondContact O-N 3.2Å; L215-A243 HydrophobicContact CD2-CB 3.88Å
216K88.3Confident87Confident102 Ų10259.2 Ų59.244%0.44333%0.328SS..  trans-62.9130.2-176.3-76.1-172-173-179.60113.4S214 E218 Y219S214-K216 VanDerWaalsContact C-N 3.26Å; S214-K216 PolarHBondContact O-N 3.06Å; K216-E218 HydrophobicContact CB-CB 4.47Å; K216-E218 WeakPolarHBondContact CB-OE2 3.18Å; K216-E218 PolarHBondContact O-N 3.1Å; K216-E218 VanDerWaalsContact O-N 3.12Å; K216-Y219 HydrophobicContact CB-CD2 3.84Å; K216-Y219 HydrophobicContact CB-CE1 4.39Å; K216-Y219 HydrophobicContact CB-CE2 3.73Å; K216-Y219 HydrophobicContact CB-CG 4.27Å; K216-Y219 HydrophobicContact CG-CE2 4.33Å; K216-Y219 WeakPolarHBondContact O-CB 3.29Å; K216-Y219 PolarHBondContact O-N 3.21Å
217P88.9Confident88.4Confident22 Ų2254.8 Ų54.814%0.14330%0.301CS..G310 helixtrans-50.5-30.6172.1-30.236.9000114.7L21 E24 Y219 V220 A221L21-P217 HydrophobicContact CD2-CB 3.93Å; L21-P217 HydrophobicContact CG-CB 4.43Å; E24-P217 HydrophobicContact CB-CB 4.06Å; E24-P217 HydrophobicContact CG-CB 4.42Å; P217-Y219 PolarHBondContact O-N 3.4Å; P217-Y219 VanDerWaalsContact O-N 3.12Å; P217-V220 PolarHBondContact O-N 3.16Å; P217-A221 PolarHBondContact O-N 3.14Å
218E92.2Very high89.6Confident87 Ų8752.5 Ų52.541%0.40729%0.29SS..G310 helixtrans-56.7-24.2177.1-64.581168.400112.5E24 K216 V220 P222E24-E218 HydrophobicContact CG-CB 4.44Å; E24-E218 HydrophobicContact CG-CG 4.05Å; K216-E218 HydrophobicContact CB-CB 4.47Å; K216-E218 WeakPolarHBondContact CB-OE2 3.18Å; K216-E218 PolarHBondContact O-N 3.1Å; K216-E218 VanDerWaalsContact O-N 3.12Å; E218-V220 VanDerWaalsContact C-N 3.32Å; E218-P222 WeakPolarHBondContact O-CD 3.41Å
219Y93Very high90.5Very high98 Ų9849 Ų4938%0.38427%0.267SS..G310 helixtrans-80.9-12.7178.6-58.7-27.3000113.8S214 K216 P217S214-Y219 WeakPolarHBondContact O-CE2 3.36Å; K216-Y219 HydrophobicContact CB-CD2 3.84Å; K216-Y219 HydrophobicContact CB-CE1 4.39Å; K216-Y219 HydrophobicContact CB-CE2 3.73Å; K216-Y219 HydrophobicContact CB-CG 4.27Å; K216-Y219 HydrophobicContact CG-CE2 4.33Å; K216-Y219 WeakPolarHBondContact O-CB 3.29Å; K216-Y219 PolarHBondContact O-N 3.21Å; P217-Y219 PolarHBondContact O-N 3.4Å; P217-Y219 VanDerWaalsContact O-N 3.12Å
220V95.7Very high91.4Very high0 Ų048.5 Ų48.50%026%0.255CS..THydrogen-bonded Turntrans-101.1-32.9178.3-177.10000111.4L21 Y25 I194 P196 P217 E218 P222 L223 V224 A241L21-V220 HydrophobicContact CD2-CB 3.77Å; L21-V220 HydrophobicContact CD2-CG1 4.16Å; L21-V220 HydrophobicContact CD2-CG2 3.95Å; Y25-V220 HydrophobicContact CE1-CB 4.49Å; Y25-V220 HydrophobicContact CE1-CG1 4.25Å; Y25-V220 WeakPolarHBondContact OH-CG1 3.45Å; I194-V220 HydrophobicContact CD1-CG1 4.43Å; P196-V220 HydrophobicContact CB-CG1 3.96Å; P196-V220 HydrophobicContact CB-CG2 4.28Å; P217-V220 PolarHBondContact O-N 3.16Å; E218-V220 VanDerWaalsContact C-N 3.32Å; V220-P222 VanDerWaalsContact C-CD 3.45Å; V220-L223 WeakPolarHBondContact O-CB 3.25Å; V220-L223 PolarHBondContact O-N 3.21Å; V220-L223 VanDerWaalsContact O-N 3.08Å; V220-V224 PolarHBondContact O-N 2.83Å; V220-A241 HydrophobicContact CG1-CB 4.31Å
221A96.1Very high92.3Very high2 Ų247.9 Ų47.92%0.01725%0.248CC..Hα-helixtrans-53.5-40.4-176.800000114.8E24 Y25 A28 P217 L223 V224 L225E24-A221 HydrophobicContact CG-CB 3.85Å; Y25-A221 HydrophobicContact CD1-CB 3.76Å; Y25-A221 HydrophobicContact CE1-CB 4.1Å; A28-A221 HydrophobicContact CB-CB 4.25Å; P217-A221 PolarHBondContact O-N 3.14Å; A221-L223 VanDerWaalsContact C-N 3.28Å; A221-L223 PolarHBondContact O-N 3.12Å; A221-V224 PolarHBondContact O-N 2.69Å; A221-V224 VanDerWaalsContact O-N 3.13Å; A221-L225 WeakPolarHBondContact O-CD1 3.28Å; A221-L225 PolarHBondContact O-N 2.96Å
222P97.3Very high93.3Very high79 Ų7944 Ų4451%0.51323%0.228SC..Hα-helixtrans-57.8-36.8177.1-27.636.1000114E218 V220 L225 W226E218-P222 WeakPolarHBondContact O-CD 3.41Å; V220-P222 VanDerWaalsContact C-CD 3.45Å; P222-L225 PolarHBondContact O-N 2.99Å; P222-W226 WeakPolarHBondContact O-CB 3.29Å; P222-W226 PolarHBondContact O-N 3.02Å
223L98.2Very high94.2Very high8 Ų849.8 Ų49.84%0.04225%0.253CS..Hα-helixtrans-65.7-45.5176.1174.361.7000111.1I194 V220 A221 L225 W226 L227 F239 A241 I246I194-L223 HydrophobicContact CG2-CD2 4.1Å; V220-L223 WeakPolarHBondContact O-CB 3.25Å; V220-L223 PolarHBondContact O-N 3.21Å; V220-L223 VanDerWaalsContact O-N 3.08Å; A221-L223 VanDerWaalsContact C-N 3.28Å; A221-L223 PolarHBondContact O-N 3.12Å; L223-L225 VanDerWaalsContact C-N 3.32Å; L223-L225 PolarHBondContact O-N 3.49Å; L223-W226 PolarHBondContact O-N 3.3Å; L223-L227 HydrophobicContact CD1-CD1 3.81Å; L223-L227 HydrophobicContact CD1-CD2 4.48Å; L223-L227 HydrophobicContact CD1-CG 3.9Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 HydrophobicContact CG-CG 4.37Å; L223-L227 WeakPolarHBondContact O-CB 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 2.92Å; L223-F239 HydrophobicContact CD2-CB 3.78Å; L223-F239 HydrophobicContact CD2-CG 4.38Å; L223-A241 HydrophobicContact CD2-CB 3.6Å; L223-I246 HydrophobicContact CB-CD1 3.95Å; L223-I246 HydrophobicContact CB-CG1 4.5Å; L223-I246 HydrophobicContact CD1-CD1 4.3Å; L223-I246 HydrophobicContact CD1-CG2 4.06Å; L223-I246 HydrophobicContact CD2-CG1 4.41Å; L223-I246 HydrophobicContact CD2-CG2 3.93Å
224V98.3Very high95.2Very high0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-60.6-44.6178.21730000110.7Y25 F29 V99 I149 I194 V220 A221 L227 C228Y25-V224 HydrophobicContact CD1-CB 4.19Å; Y25-V224 HydrophobicContact CD1-CG1 4.33Å; Y25-V224 HydrophobicContact CD1-CG2 4.15Å; Y25-V224 HydrophobicContact CE1-CB 4.18Å; Y25-V224 HydrophobicContact CE1-CG2 3.67Å; Y25-V224 HydrophobicContact CE2-CG2 4.23Å; Y25-V224 HydrophobicContact CG-CG1 4.27Å; F29-V224 HydrophobicContact CE2-CG1 4.03Å; F29-V224 HydrophobicContact CZ-CG1 4.07Å; V99-V224 HydrophobicContact CG1-CG1 4.36Å; V99-V224 HydrophobicContact CG2-CG1 4.1Å; I149-V224 HydrophobicContact CG1-CG1 4.4Å; I194-V224 HydrophobicContact CD1-CG2 3.73Å; V220-V224 PolarHBondContact O-N 2.83Å; A221-V224 PolarHBondContact O-N 2.69Å; A221-V224 VanDerWaalsContact O-N 3.13Å; V224-L227 PolarHBondContact O-N 3.11Å; V224-C228 VanDerWaalsContact O-CB 3.31Å; V224-C228 WeakPolarHBondContact O-CB 3.39Å; V224-C228 PolarHBondContact O-N 3.28Å; V224-C228 PolarHBondContact O-SG 3.08Å
225L98.3Very high95.9Very high8 Ų846.8 Ų46.84%0.04222%0.22CC..Hα-helixtrans-60.2-49.4175.1-91.661.3000111F7 A28 F29 A221 P222 L223 L227 C228 H229F7-L225 HydrophobicContact CE2-CB 4.31Å; F7-L225 HydrophobicContact CE2-CD2 4.42Å; F7-L225 HydrophobicContact CE2-CG 4.13Å; F7-L225 HydrophobicContact CZ-CB 4.19Å; F7-L225 HydrophobicContact CZ-CG 4.29Å; F7-L225 VanDerWaalsContact CZ-O 3.29Å; F7-L225 WeakPolarHBondContact CZ-O 3.34Å; A28-L225 HydrophobicContact CB-CD1 3.7Å; A28-L225 HydrophobicContact CB-CD2 3.8Å; A28-L225 HydrophobicContact CB-CG 4.42Å; F29-L225 HydrophobicContact CD1-CD1 4.04Å; F29-L225 HydrophobicContact CD1-CG 4.04Å; F29-L225 HydrophobicContact CD2-CD1 4.14Å; F29-L225 HydrophobicContact CE1-CD1 3.9Å; F29-L225 HydrophobicContact CE1-CG 3.89Å; F29-L225 HydrophobicContact CE2-CD1 3.99Å; F29-L225 HydrophobicContact CG-CD1 4.14Å; F29-L225 HydrophobicContact CZ-CD1 3.85Å; F29-L225 HydrophobicContact CZ-CG 4.3Å; A221-L225 WeakPolarHBondContact O-CD1 3.28Å; A221-L225 PolarHBondContact O-N 2.96Å; P222-L225 PolarHBondContact O-N 2.99Å; L223-L225 VanDerWaalsContact C-N 3.32Å; L223-L225 PolarHBondContact O-N 3.49Å; L225-L227 PolarHBondContact O-N 3.01Å; L225-C228 CarbonylContact O-C 3.58Å; L225-C228 PolarHBondContact O-N 3.25Å; L225-C228 VanDerWaalsContact O-N 3.09Å; L225-H229 PolarHBondContact O-N 3.06Å
226W98.6Very high96.5Very high110 Ų11047.6 Ų47.642%0.41723%0.232SC..Hα-helixtrans-56.4-50.5178.1168.6-117.6000112.2L5 P222 L223 C228 H229 C232L5-W226 HydrophobicContact CD1-CE3 4.16Å; P222-W226 WeakPolarHBondContact O-CB 3.29Å; P222-W226 PolarHBondContact O-N 3.02Å; L223-W226 PolarHBondContact O-N 3.3Å; W226-C228 PolarHBondContact O-N 2.67Å; W226-H229 WeakPolarHBondContact O-CB 3.05Å; W226-H229 PolarHBondContact O-N 3.45Å; W226-C232 HydrophobicContact CD2-CB 4.3Å; W226-C232 HydrophobicContact CE3-CB 4.4Å; W226-C232 HydrophobicContact CH2-CB 4.26Å; W226-C232 HydrophobicContact CZ2-CB 4.14Å; W226-C232 HydrophobicContact CZ3-CB 4.39Å; W226-C232 WeakPolarHBondContact O-CB 3.4Å
227L98.6Very high96.9Very high2 Ų242.9 Ų42.91%0.0121%0.213CC..Hα-helixtrans-63.3-23179.3-67.4174.3000113I149 N192 I194 L223 V224 L225 E234 F239I149-L227 HydrophobicContact CD1-CB 3.7Å; I149-L227 HydrophobicContact CD1-CD1 3.99Å; N192-L227 HydrophobicContact CB-CD1 4.09Å; N192-L227 HydrophobicContact CB-CD2 4.32Å; I194-L227 HydrophobicContact CG2-CD1 4.01Å; L223-L227 HydrophobicContact CD1-CD1 3.81Å; L223-L227 HydrophobicContact CD1-CD2 4.48Å; L223-L227 HydrophobicContact CD1-CG 3.9Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 HydrophobicContact CG-CG 4.37Å; L223-L227 WeakPolarHBondContact O-CB 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 2.92Å; V224-L227 PolarHBondContact O-N 3.11Å; L225-L227 PolarHBondContact O-N 3.01Å; L227-E234 HydrophobicContact CD2-CB 4.03Å; L227-E234 HydrophobicContact CD2-CG 3.93Å; L227-F239 HydrophobicContact CD1-CD2 3.95Å; L227-F239 HydrophobicContact CD1-CE2 4.23Å; L227-F239 HydrophobicContact CD2-CD2 4.34Å; L227-F239 HydrophobicContact CD2-CE2 3.79Å; L227-F239 HydrophobicContact CD2-CZ 4.24Å
228C98.6Very high97.4Very high1 Ų142.7 Ų42.71%0.00721%0.21CC..Hα-helixtrans-95.7-0.9176.9-69.20000114.4F7 F29 I97 R147 I149 V224 L225 W226F7-C228 HydrophobicContact CE1-CB 4.37Å; F7-C228 WeakPolarHBondContact CE1-O 3.29Å; F29-C228 HydrophobicContact CE1-CB 3.87Å; F29-C228 HydrophobicContact CZ-CB 3.72Å; I97-C228 HydrophobicContact CD1-CB 4.15Å; I97-C228 HydrophobicContact CG1-CB 4.33Å; I97-C228 HydrophobicContact CG2-CB 3.85Å; I97-C228 VanDerWaalsContact CG2-SG 3.52Å; R147-C228 HydrophobicContact CB-CB 4.14Å; R147-C228 WeakPolarHBondContact CG-O 3.43Å; I149-C228 WeakPolarHBondContact CG1-SG 3.19Å; V224-C228 VanDerWaalsContact O-CB 3.31Å; V224-C228 WeakPolarHBondContact O-CB 3.39Å; V224-C228 PolarHBondContact O-N 3.28Å; V224-C228 PolarHBondContact O-SG 3.08Å; L225-C228 CarbonylContact O-C 3.58Å; L225-C228 PolarHBondContact O-N 3.25Å; L225-C228 VanDerWaalsContact O-N 3.09Å; W226-C228 PolarHBondContact O-N 2.67Å
229H98.6Very high97.7Very high6 Ų639.4 Ų39.43%0.02820%0.195CC..SBendtrans-79.2152.1-179.7-165.7-102.6000111.4S6 F7 R147 L225 W226 Q231 C232S6-H229 PolarHBondContact O-NE2 3.09Å; F7-H229 HydrophobicContact CE1-CB 4.24Å; F7-H229 HydrophobicContact CZ-CB 3.99Å; F7-H229 AromaticContact CZ-CD2 3.74Å; R147-H229 PolarHBondContact NE-O 3.22Å; R147-H229 VanDerWaalsContact NE-O 3.14Å; L225-H229 PolarHBondContact O-N 3.06Å; W226-H229 WeakPolarHBondContact O-CB 3.05Å; W226-H229 PolarHBondContact O-N 3.45Å; H229-Q231 VanDerWaalsContact C-N 3.28Å; H229-Q231 WeakPolarHBondContact ND1-CB 3.49Å; H229-Q231 PolarHBondContact ND1-N 2.87Å; H229-Q231 PolarHBondContact O-N 3.06Å; H229-C232 WeakPolarHBondContact O-CB 3.5Å; H229-C232 PolarHBondContact O-N 3.35Å; H229-C232 VanDerWaalsContact O-N 3.15Å
230E97.2Very high97.9Very high97 Ų9736 Ų3645%0.45318%0.182SC..THydrogen-bonded Turntrans-65.9-31.1-178.464.1-177.7-173.200113.4R10 F145 R147 C232R10-E230 IonicContact CZ-OE2 3.7Å; R10-E230 IonicContact NE-OE2 3.82Å; R10-E230 IonicContact NH2-OE2 2.62Å; R10-E230 PolarHBondContact NH2-OE2 2.92Å; F145-E230 HydrophobicContact CE2-CB 3.64Å; F145-E230 HydrophobicContact CZ-CB 4.02Å; R147-E230 PolarHBondContact NH2-O 3.44Å; E230-C232 VanDerWaalsContact C-N 3.27Å; E230-C232 PolarHBondContact O-N 3.17Å
231Q97.3Very high97.9Very high122 Ų12236 Ų3657%0.5718%0.182SC*.THydrogen-bonded Turntrans-73.9-17.2176.7-63.8176.3-3.800113.1H229 Q233H229-Q231 VanDerWaalsContact C-N 3.28Å; H229-Q231 WeakPolarHBondContact ND1-CB 3.49Å; H229-Q231 PolarHBondContact ND1-N 2.87Å; H229-Q231 PolarHBondContact O-N 3.06Å; Q231-Q233 PolarHBondContact O-N 3.05Å
232C97.9Very high97.7Very high0 Ų036.3 Ų36.30%019%0.185CC..  trans-75122.1-178.1-173.50000111.1R147 H190 W226 H229 E230R147-C232 PolarHBondContact NH2-O 3.41Å; H190-C232 PolarHBondContact CE1-O 3.07Å; H190-C232 VanDerWaalsContact CE1-O 3.3Å; H190-C232 PolarHBondContact ND1-O 3.5Å; H190-C232 VanDerWaalsContact ND1-O 3.15Å; W226-C232 HydrophobicContact CD2-CB 4.3Å; W226-C232 HydrophobicContact CE3-CB 4.4Å; W226-C232 HydrophobicContact CH2-CB 4.26Å; W226-C232 HydrophobicContact CZ2-CB 4.14Å; W226-C232 HydrophobicContact CZ3-CB 4.39Å; W226-C232 WeakPolarHBondContact O-CB 3.4Å; H229-C232 WeakPolarHBondContact O-CB 3.5Å; H229-C232 PolarHBondContact O-N 3.35Å; H229-C232 VanDerWaalsContact O-N 3.15Å; E230-C232 VanDerWaalsContact C-N 3.27Å; E230-C232 PolarHBondContact O-N 3.17Å
233Q97.9Very high97.3Very high143 Ų14335.9 Ų35.967%0.66819%0.188SC*.  trans-97.6-0.3178.7-59.6-58-39.700113.1Q231 N235Q231-Q233 PolarHBondContact O-N 3.05Å; Q233-N235 PolarHBondContact O-N 3.44Å
234E98.6Very high96.9Very high54 Ų5438.2 Ų38.225%0.25222%0.215SC..  trans-68.5130.6178.3-17266.3-121.500110.3N192 L227 F239 K248N192-E234 PolarHBondContact ND2-O 2.93Å; L227-E234 HydrophobicContact CD2-CB 4.03Å; L227-E234 HydrophobicContact CD2-CG 3.93Å; E234-F239 HydrophobicContact CG-CE2 3.8Å; E234-F239 HydrophobicContact CG-CZ 3.64Å; E234-K248 WeakPolarHBondContact OE1-CE 3.43Å; E234-K248 IonicContact OE1-NZ 3.74Å; E234-K248 PolarHBondContact OE1-NZ 3.03Å; E234-K248 IonicContact OE2-NZ 2.89Å; E234-K248 PolarHBondContact OE2-NZ 2.87Å
235N98.4Very high96.8Very high26 Ų2645.5 Ų45.514%0.13924%0.242CC..  trans-150.9130-179-175.122.4000110.2A181 H190 C191 N192 Q233 G237A181-N235 WeakPolarHBondContact CA-OD1 3.48Å; A181-N235 VanDerWaalsContact CB-OD1 3.24Å; A181-N235 WeakPolarHBondContact CB-OD1 3.37Å; A181-N235 PolarHBondContact O-ND2 3.3Å; H190-N235 WeakPolarHBondContact CA-OD1 3.1Å; H190-N235 HydrophobicContact CB-CB 4.07Å; C191-N235 PolarHBondContact N-OD1 3.15Å; C191-N235 PolarHBondContact O-OD1 3.23Å; N192-N235 WeakPolarHBondContact OD1-CA 3.43Å; N192-N235 PolarHBondContact OD1-N 3.42Å; Q233-N235 PolarHBondContact O-N 3.44Å; N235-G237 VanDerWaalsContact C-N 3.32Å
236G98.1Very high96.8Very high33 Ų3349.1 Ų49.134%0.3426%0.261SS..SBendtrans76.516.1-174.200000114C191 N192C191-G236 WeakPolarHBondContact O-CA 3.44Å; C191-G236 PolarHBondContact O-N 3.24Å; N192-G236 PolarHBondContact OD1-N 3.22Å
237G98.3Very high96.8Very high3 Ų344.5 Ų44.53%0.03125%0.247CC..  trans-78.8149.6178.500000113.1N192 T193 N235N192-G237 PolarHBondContact OD1-N 2.94Å; T193-G237 PolarHBondContact N-O 3.19Å; N235-G237 VanDerWaalsContact C-N 3.32Å
238L98.6Very high96.8Very high18 Ų1850 Ų509%0.09427%0.271CS..EExtended strand (participates in β ladder)trans-117.3123.916917461.8000109.1I157 L174 T193 K248 L249I157-L238 HydrophobicContact CD1-CD1 4.32Å; I157-L238 HydrophobicContact CD1-CD2 4.2Å; I157-L238 HydrophobicContact CG1-CD2 4.45Å; L174-L238 HydrophobicContact CD1-CB 4.25Å; L174-L238 HydrophobicContact CD1-CD1 4.31Å; L174-L238 HydrophobicContact CD1-CD2 4.36Å; L174-L238 HydrophobicContact CD2-CD2 3.87Å; T193-L238 HydrophobicContact CG2-CD1 3.69Å; T193-L238 WeakPolarHBondContact O-CA 3.2Å; L238-K248 WeakPolarHBondContact O-CA 3.45Å; L238-L249 HydrophobicContact CB-CB 4.37Å; L238-L249 HydrophobicContact CD2-CB 3.8Å; L238-L249 HydrophobicContact CD2-CD2 4.1Å; L238-L249 HydrophobicContact CG-CB 3.98Å; L238-L249 PolarHBondContact O-N 2.88Å
239F98.6Very high96.7Very high18 Ų1851.7 Ų51.78%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-126.7129.8-175.6-62.4-88.8000112.4T193 I194 A195 L223 L227 E234 I246 G247 K248T193-F239 PolarHBondContact O-N 2.98Å; I194-F239 CarbonylContact C-O 3.43Å; I194-F239 WeakPolarHBondContact CA-O 3.48Å; A195-F239 PolarHBondContact N-O 2.67Å; L223-F239 HydrophobicContact CD2-CB 3.78Å; L223-F239 HydrophobicContact CD2-CG 4.38Å; L227-F239 HydrophobicContact CD1-CD2 3.95Å; L227-F239 HydrophobicContact CD1-CE2 4.23Å; L227-F239 HydrophobicContact CD2-CD2 4.34Å; L227-F239 HydrophobicContact CD2-CE2 3.79Å; L227-F239 HydrophobicContact CD2-CZ 4.24Å; E234-F239 HydrophobicContact CG-CE2 3.8Å; E234-F239 HydrophobicContact CG-CZ 3.64Å; F239-I246 HydrophobicContact CD1-CG2 4.17Å; F239-G247 CarbonylContact C-O 3.48Å; F239-G247 WeakPolarHBondContact CA-O 3.4Å; F239-K248 HydrophobicContact CD1-CB 3.95Å; F239-K248 HydrophobicContact CD1-CG 4.13Å; F239-K248 HydrophobicContact CE1-CB 3.79Å; F239-K248 HydrophobicContact CE1-CD 3.83Å; F239-K248 HydrophobicContact CE1-CG 3.72Å; F239-K248 HydrophobicContact CZ-CD 3.94Å; F239-K248 HydrophobicContact CZ-CG 4.09Å
240E97.6Very high96.7Very high27 Ų2760.6 Ų60.613%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-90137.9162.7-77-173.2106.900109.5I157 Y158 A195 W245 I246 G247 L249I157-E240 HydrophobicContact CD1-CG 4.47Å; Y158-E240 WeakPolarHBondContact CE2-OE1 3.29Å; Y158-E240 PolarHBondContact OH-OE2 3.15Å; A195-E240 HydrophobicContact CB-CG 3.81Å; A195-E240 WeakPolarHBondContact O-CA 3.37Å; E240-W245 HydrophobicContact CB-CH2 4.11Å; E240-W245 HydrophobicContact CB-CZ3 3.68Å; E240-I246 WeakPolarHBondContact O-CA 3.48Å; E240-G247 PolarHBondContact N-O 2.99Å; E240-G247 PolarHBondContact O-N 2.97Å; E240-L249 HydrophobicContact CB-CD1 3.96Å; E240-L249 HydrophobicContact CG-CD1 3.62Å; E240-L249 HydrophobicContact CG-CD2 4.41Å
241A94.8Very high96.7Very high0 Ų064.5 Ų64.50%032%0.324CS..EExtended strand (participates in β ladder)trans-149.7135.7-177.600000112.6A195 P196 V197 V220 L223 W245 I246A195-A241 PolarHBondContact O-N 3.36Å; P196-A241 CarbonylContact C-O 3.52Å; P196-A241 WeakPolarHBondContact CA-O 3.34Å; V197-A241 PolarHBondContact N-O 2.79Å; V220-A241 HydrophobicContact CG1-CB 4.31Å; L223-A241 HydrophobicContact CD2-CB 3.6Å; A241-W245 WeakPolarHBondContact CA-O 3.3Å; A241-I246 HydrophobicContact CB-CG1 4.2Å
242G91.3Very high96.6Very high8 Ų863.8 Ų63.88%0.08232%0.32CS..EExtended strand (participates in β ladder)trans175.1157.3178.100000111.5V197 G244 W245V197-G242 WeakPolarHBondContact O-CA 3.44Å; G242-G244 PolarHBondContact O-N 2.79Å; G242-W245 PolarHBondContact N-O 2.95Å; G242-W245 PolarHBondContact O-N 2.85Å
243A89.6Confident96.5Very high69 Ų6967.5 Ų67.557%0.5734%0.335SS*.THydrogen-bonded Turntrans54.817.7178.900000116L215L215-A243 HydrophobicContact CD2-CB 3.88Å
244G90.8Very high96.5Very high58 Ų5861.8 Ų61.860%0.59831%0.309SS*.THydrogen-bonded Turntrans88.5-0.8-174.900000114.5G242G242-G244 PolarHBondContact O-N 2.79Å
245W96.1Very high96.1Very high153 Ų15365 Ų6558%0.5832%0.324SS*.EExtended strand (participates in β ladder)trans-95.3144.8172.817589.3000111.1E240 A241 G242E240-W245 HydrophobicContact CB-CH2 4.11Å; E240-W245 HydrophobicContact CB-CZ3 3.68Å; A241-W245 WeakPolarHBondContact CA-O 3.3Å; G242-W245 PolarHBondContact N-O 2.95Å; G242-W245 PolarHBondContact O-N 2.85Å
246I98Very high95.8Very high83 Ų8364.6 Ų64.643%0.42633%0.327SS..EExtended strand (participates in β ladder)trans-134.9125.7175.5-59.8164.8000108.3L223 F239 E240 A241L223-I246 HydrophobicContact CB-CD1 3.95Å; L223-I246 HydrophobicContact CB-CG1 4.5Å; L223-I246 HydrophobicContact CD1-CD1 4.3Å; L223-I246 HydrophobicContact CD1-CG2 4.06Å; L223-I246 HydrophobicContact CD2-CG1 4.41Å; L223-I246 HydrophobicContact CD2-CG2 3.93Å; F239-I246 HydrophobicContact CD1-CG2 4.17Å; E240-I246 WeakPolarHBondContact O-CA 3.48Å; A241-I246 HydrophobicContact CB-CG1 4.2Å
247G97.6Very high95.6Very high13 Ų1368.6 Ų68.613%0.13433%0.332CS..EExtended strand (participates in β ladder)trans-123.2149.3173.900000111.7F239 E240F239-G247 CarbonylContact C-O 3.48Å; F239-G247 WeakPolarHBondContact CA-O 3.4Å; E240-G247 PolarHBondContact N-O 2.99Å; E240-G247 PolarHBondContact O-N 2.97Å
248K98.4Very high95.3Very high118 Ų11871.7 Ų71.751%0.51335%0.347SS..EExtended strand (participates in β ladder)trans-107.2134.2175.7-170.5176.8-173.3173.30110.1E234 L238 F239E234-K248 WeakPolarHBondContact OE1-CE 3.43Å; E234-K248 IonicContact OE1-NZ 3.74Å; E234-K248 PolarHBondContact OE1-NZ 3.03Å; E234-K248 IonicContact OE2-NZ 2.89Å; E234-K248 PolarHBondContact OE2-NZ 2.87Å; L238-K248 WeakPolarHBondContact O-CA 3.45Å; F239-K248 HydrophobicContact CD1-CB 3.95Å; F239-K248 HydrophobicContact CD1-CG 4.13Å; F239-K248 HydrophobicContact CE1-CB 3.79Å; F239-K248 HydrophobicContact CE1-CD 3.83Å; F239-K248 HydrophobicContact CE1-CG 3.72Å; F239-K248 HydrophobicContact CZ-CD 3.94Å; F239-K248 HydrophobicContact CZ-CG 4.09Å
249L97.8Very high95Very high36 Ų3672.3 Ų72.319%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-107.6150.8179.2-69.875.8000110.1I157 Y158 L238 E240I157-L249 HydrophobicContact CD1-CD2 4.03Å; I157-L249 HydrophobicContact CG2-CD2 3.99Å; Y158-L249 WeakPolarHBondContact OH-CD2 3.32Å; L238-L249 HydrophobicContact CB-CB 4.37Å; L238-L249 HydrophobicContact CD2-CB 3.8Å; L238-L249 HydrophobicContact CD2-CD2 4.1Å; L238-L249 HydrophobicContact CG-CB 3.98Å; L238-L249 PolarHBondContact O-N 2.88Å; E240-L249 HydrophobicContact CB-CD1 3.96Å; E240-L249 HydrophobicContact CG-CD1 3.62Å; E240-L249 HydrophobicContact CG-CD2 4.41Å
250R97.6Very high94.6Very high194 Ų19475.6 Ų75.673%0.73236%0.363SS*.  trans-151.8161.5172.165.9176.6177.4-173.9-3.5110.2
251W96.9Very high93.9Very high178 Ų17879.7 Ų79.767%0.67438%0.382SS*.  trans-74.7141.9171.4-65.5112.5000111.6
252E96Very high93.5Very high107 Ų10784.7 Ų84.750%0.540%0.401SS..  trans-119.7151.5162.159.2177.6-164.900109.1F281 A284 T285E252-F281 HydrophobicContact CG-CD1 3.98Å; E252-F281 HydrophobicContact CG-CE1 3.88Å; E252-F281 WeakPolarHBondContact OE1-CD1 3.41Å; E252-A284 HydrophobicContact CB-CB 4.27Å; E252-T285 WeakPolarHBondContact CA-O 3.23Å
253R96.6Very high93.1Very high79 Ų7991.5 Ų91.530%0.29844%0.436SS..BIsolated β-bridgetrans-137.4128.1-178.1-171.4-178.769.3166.34.3109A284 T285 P287 S293 S296R253-A284 CarbonylContact O-C 3.59Å; R253-A284 WeakPolarHBondContact O-CA 3.21Å; R253-T285 PolarHBondContact N-O 3.45Å; R253-T285 PolarHBondContact O-N 2.91Å; R253-T285 PolarHBondContact O-OG1 3.5Å; R253-P287 HydrophobicContact CB-CG 3.96Å; R253-S293 PolarHBondContact NH1-OG 2.9Å; R253-S293 VanDerWaalsContact NH1-OG 3.15Å; R253-S296 PolarHBondContact NH2-OG 2.88Å
254T96.3Very high93Very high22 Ų2294.2 Ų94.214%0.13543%0.434CS..  trans-53.9158.2173.566.50000110.7G256 I278 D280 F281T254-G256 PolarHBondContact O-N 2.99Å; T254-G256 PolarHBondContact OG1-N 3.29Å; T254-I278 WeakPolarHBondContact CB-O 3.45Å; T254-I278 WeakPolarHBondContact CG2-O 3.37Å; T254-I278 PolarHBondContact OG1-O 3.47Å; T254-D280 WeakPolarHBondContact CB-O 3.12Å; T254-D280 WeakPolarHBondContact CG2-O 2.74Å; T254-F281 HydrophobicContact CG2-CD1 3.82Å; T254-F281 HydrophobicContact CG2-CD2 3.62Å; T254-F281 HydrophobicContact CG2-CE1 3.69Å; T254-F281 HydrophobicContact CG2-CE2 3.5Å; T254-F281 VanDerWaalsContact CG2-CE2 3.5Å; T254-F281 HydrophobicContact CG2-CG 3.78Å; T254-F281 HydrophobicContact CG2-CZ 3.53Å
255E91.5Very high93Very high121 Ų12196.8 Ų96.857%0.56544%0.441SS*.  trans-63.2-22.9168.9-65-171.7148.300111.4R257 N283E255-R257 IonicContact OE2-NH1 2.77Å; E255-N283 HydrophobicContact CG-CB 4.3Å
256G92.3Very high93Very high19 Ų1994.7 Ų94.720%0.19644%0.439CS..  trans68.7-171.6-176.700000112.2T254T254-G256 PolarHBondContact O-N 2.99Å; T254-G256 PolarHBondContact OG1-N 3.29Å
257R92.3Very high92.8Very high117 Ų11793.5 Ų93.544%0.44244%0.436SS..  trans-141.4146.7173.8-73.1-62.6175.8-1065.2111.8E255 V259 A277 I278E255-R257 IonicContact OE2-NH1 2.77Å; R257-V259 HydrophobicContact CB-CG1 4.45Å; R257-V259 PolarHBondContact O-N 3.03Å; R257-A277 HydrophobicContact CG-CB 3.48Å; R257-A277 VanDerWaalsContact CG-CB 3.48Å; R257-I278 HydrophobicContact CB-CG1 4.05Å
258I92.6Very high92.7Very high68 Ų6897.5 Ų97.535%0.34946%0.459SS..  trans-83108.4171.8-53.1177.6000107.7V300 Q303 V304I258-V300 HydrophobicContact CD1-CB 4.48Å; I258-V300 HydrophobicContact CD1-CG1 4.1Å; I258-V300 HydrophobicContact CD1-CG2 4.19Å; I258-V300 HydrophobicContact CG1-CB 4.48Å; I258-V300 HydrophobicContact CG1-CG1 3.84Å; I258-V300 HydrophobicContact CG1-CG2 4.02Å; I258-V300 HydrophobicContact CG2-CG1 4.16Å; I258-Q303 HydrophobicContact CD1-CB 3.96Å; I258-V304 HydrophobicContact CG2-CG2 3.3Å
259V92.6Very high92.6Very high31 Ų3196.6 Ų96.619%0.18846%0.457CS..  trans-102.8-5.4-177.7-62.50000113.3R257 M266 V271 Q274 I278R257-V259 HydrophobicContact CB-CG1 4.45Å; R257-V259 PolarHBondContact O-N 3.03Å; V259-M266 HydrophobicContact CG2-CE 3.27Å; V259-M266 HydrophobicContact CG2-CG 4.42Å; V259-M266 HydrophobicContact CG2-SD 3.98Å; V259-V271 HydrophobicContact CG2-CG2 4.11Å; V259-Q274 HydrophobicContact CG1-CB 3.71Å; V259-Q274 HydrophobicContact CG1-CG 4.01Å; V259-I278 HydrophobicContact CG1-CD1 3.94Å
260R89.2Confident92.3Very high86 Ų8695.9 Ų95.933%0.32546%0.458SS..  trans-95.9139.9177-176.5177.367.789.2-2.6109.9M266 V304R260-M266 HydrophobicContact CB-CB 4.35Å; R260-M266 HydrophobicContact CB-CG 4.47Å; R260-M266 HydrophobicContact CB-SD 4.3Å; R260-M266 HydrophobicContact CG-CB 4.26Å; R260-V304 VanDerWaalsContact NH1-CG1 3.34Å
261Q84.5Confident92.3Very high114 Ų11488.3 Ų88.353%0.53343%0.433SS..  trans-106.9154.7172.2-64.9175.715.400110.6K264Q261-K264 HydrophobicContact CB-CB 4.31Å; Q261-K264 HydrophobicContact CB-CD 4.23Å; Q261-K264 PolarHBondContact O-N 3.11Å
262R85.1Confident92.3Very high104 Ų10487.5 Ų87.539%0.39243%0.43SS..THydrogen-bonded Turntrans-59.1139.3175.6-160.5176.8174.7-178.1-7.2110.7K264 V304 E305R262-K264 PolarHBondContact O-N 2.8Å; R262-V304 WeakPolarHBondContact CB-O 3.42Å; R262-E305 WeakPolarHBondContact CD-O 3.49Å; R262-E305 PolarHBondContact NE-O 3.27Å; R262-E305 PolarHBondContact NH1-O 3.39Å
263N84.3Confident92.2Very high152 Ų15287 Ų8781%0.81343%0.431SS*.THydrogen-bonded Turntrans56.314.1176.2-55-28.6000115.6
264K87.6Confident92.2Very high125 Ų12587.2 Ų87.254%0.54344%0.435SS..SBendtrans-119.1141.7173.8-66.4-175.4-171.1169.30110Q261 R262Q261-K264 HydrophobicContact CB-CB 4.31Å; Q261-K264 HydrophobicContact CB-CD 4.23Å; Q261-K264 PolarHBondContact O-N 3.11Å; R262-K264 PolarHBondContact O-N 2.8Å
265P90.4Very high92.2Very high113 Ų11392.9 Ų92.973%0.73445%0.454SS*.  trans-62.7139.5170.428.1-33000109.2
266M94.6Very high92.4Very high108 Ų10894 Ų9453%0.53246%0.464SS..  trans-69.2132.1170-178171.4162.600108.6V259 R260 V271V259-M266 HydrophobicContact CG2-CE 3.27Å; V259-M266 HydrophobicContact CG2-CG 4.42Å; V259-M266 HydrophobicContact CG2-SD 3.98Å; R260-M266 HydrophobicContact CB-CB 4.35Å; R260-M266 HydrophobicContact CB-CG 4.47Å; R260-M266 HydrophobicContact CB-SD 4.3Å; R260-M266 HydrophobicContact CG-CB 4.26Å; M266-V271 HydrophobicContact CE-CG2 3.51Å
267T94.8Very high92.3Very high59 Ų5994.2 Ų94.236%0.36247%0.465SS..  trans-114.5152.8-177.768.90000111.7E269 G270 V271T267-E269 WeakPolarHBondContact CB-OE2 3.49Å; T267-E269 PolarHBondContact O-N 2.73Å; T267-G270 PolarHBondContact O-N 2.73Å; T267-G270 PolarHBondContact OG1-N 2.93Å; T267-V271 PolarHBondContact O-N 2.76Å
268P95.4Very high92.5Very high97 Ų9790.6 Ų90.663%0.6345%0.453SS*.Hα-helixtrans-58.3-34.1171.5-24.235000113.1V271 R272P268-V271 WeakPolarHBondContact O-CB 3.42Å; P268-V271 PolarHBondContact O-N 2.91Å; P268-R272 PolarHBondContact O-N 3.35Å
269E95.8Very high92.7Very high98 Ų9890.1 Ų90.146%0.45846%0.456SS..Hα-helixtrans-64.6-41.1178-63.970.9-154.200111.3T267 V271 R272 D273T267-E269 WeakPolarHBondContact CB-OE2 3.49Å; T267-E269 PolarHBondContact O-N 2.73Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 2.9Å; E269-R272 PolarHBondContact O-N 3.01Å; E269-D273 WeakPolarHBondContact O-CB 3.37Å; E269-D273 PolarHBondContact O-N 2.86Å
270G92.8Very high92.8Very high21 Ų2191.8 Ų91.822%0.21646%0.463CS..Hα-helixtrans-64-30.2175.700000113.4T267T267-G270 PolarHBondContact O-N 2.73Å; T267-G270 PolarHBondContact OG1-N 2.93Å
271V96.3Very high93.1Very high35 Ų3592.6 Ų92.621%0.21247%0.469CS..Hα-helixtrans-69.4-50.6171.4177.40000110.5V259 M266 T267 P268 E269 D273 Q274 W275 I278V259-V271 HydrophobicContact CG2-CG2 4.11Å; M266-V271 HydrophobicContact CE-CG2 3.51Å; T267-V271 PolarHBondContact O-N 2.76Å; P268-V271 WeakPolarHBondContact O-CB 3.42Å; P268-V271 PolarHBondContact O-N 2.91Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 2.9Å; V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.09Å; V271-Q274 CarbonylContact O-C 3.5Å; V271-Q274 PolarHBondContact O-N 3.44Å; V271-W275 HydrophobicContact CG1-CE3 3.82Å; V271-W275 HydrophobicContact CG1-CZ3 3.91Å; V271-W275 PolarHBondContact O-N 2.87Å; V271-W275 VanDerWaalsContact O-N 3.08Å; V271-I278 HydrophobicContact CG1-CD1 4.19Å
272R97.4Very high93.5Very high161 Ų16194.9 Ų94.961%0.60848%0.48SS*.Hα-helixtrans-56.4-46179.2179.6-161.165.6-157.6-5.2111.3P268 E269 Q274 W275P268-R272 PolarHBondContact O-N 3.35Å; E269-R272 PolarHBondContact O-N 3.01Å; R272-Q274 PolarHBondContact O-N 3.31Å; R272-Q274 VanDerWaalsContact O-N 3.16Å; R272-W275 VanDerWaalsContact O-CB 3.26Å; R272-W275 WeakPolarHBondContact O-CB 3.42Å; R272-W275 PolarHBondContact O-N 2.84Å; R272-W275 VanDerWaalsContact O-N 3.11Å
273D94.3Very high93.7Very high98 Ų9894.6 Ų94.652%0.52449%0.486SS..THydrogen-bonded Turntrans-69.8-11.4-175.1-63.2-9.3000112.8E269 V271E269-D273 WeakPolarHBondContact O-CB 3.37Å; E269-D273 PolarHBondContact O-N 2.86Å; V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.09Å
274Q95.6Very high94Very high83 Ų8387.6 Ų87.639%0.38845%0.45SS..THydrogen-bonded Turntrans-117.410.6175.5-64.7-62.6-61.600112.6V259 V271 R272 D276 A277 I278V259-Q274 HydrophobicContact CG1-CB 3.71Å; V259-Q274 HydrophobicContact CG1-CG 4.01Å; V271-Q274 CarbonylContact O-C 3.5Å; V271-Q274 PolarHBondContact O-N 3.44Å; R272-Q274 PolarHBondContact O-N 3.31Å; R272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-D276 PolarHBondContact O-N 3.42Å; Q274-A277 PolarHBondContact O-N 2.97Å; Q274-A277 VanDerWaalsContact O-N 3.16Å; Q274-I278 HydrophobicContact CB-CD1 4.4Å; Q274-I278 WeakPolarHBondContact O-CG1 3.27Å; Q274-I278 PolarHBondContact O-N 2.7Å
275W96.8Very high94.2Very high140 Ų14084.2 Ų84.253%0.5344%0.44SS..Hα-helixtrans-60.4-44.3-169.9-169.1-105.5000113.1V271 R272 A277 I278 C279V271-W275 HydrophobicContact CG1-CE3 3.82Å; V271-W275 HydrophobicContact CG1-CZ3 3.91Å; V271-W275 PolarHBondContact O-N 2.87Å; V271-W275 VanDerWaalsContact O-N 3.08Å; R272-W275 VanDerWaalsContact O-CB 3.26Å; R272-W275 WeakPolarHBondContact O-CB 3.42Å; R272-W275 PolarHBondContact O-N 2.84Å; R272-W275 VanDerWaalsContact O-N 3.11Å; W275-A277 VanDerWaalsContact C-N 3.26Å; W275-A277 PolarHBondContact O-N 3.45Å; W275-I278 HydrophobicContact CE3-CD1 4.29Å; W275-I278 WeakPolarHBondContact O-CB 3.35Å; W275-I278 PolarHBondContact O-N 3.07Å; W275-I278 VanDerWaalsContact O-N 3.11Å; W275-C279 PolarHBondContact O-N 3.02Å
276D96.3Very high94.5Very high144 Ų14483.6 Ų83.677%0.7743%0.425SS*.Hα-helixtrans-58.8-40.6179.1-65.9-20.3000111.5Q274 C279 D280Q274-D276 PolarHBondContact O-N 3.42Å; D276-C279 CarbonylContact O-C 3.52Å; D276-C279 PolarHBondContact O-N 3.08Å; D276-D280 PolarHBondContact O-N 2.96Å; D276-D280 VanDerWaalsContact O-N 3.15Å
277A90.7Very high94.2Very high25 Ų2580.3 Ų80.321%0.20741%0.412CS..Hα-helixtrans-76.6-27.4178.500000113.3R257 Q274 W275 C279R257-A277 HydrophobicContact CG-CB 3.48Å; R257-A277 VanDerWaalsContact CG-CB 3.48Å; Q274-A277 PolarHBondContact O-N 2.97Å; Q274-A277 VanDerWaalsContact O-N 3.16Å; W275-A277 VanDerWaalsContact C-N 3.26Å; W275-A277 PolarHBondContact O-N 3.45Å; A277-C279 VanDerWaalsContact C-N 3.31Å
278I95.4Very high93.8Very high41 Ų4181.5 Ų81.521%0.2143%0.428CS..Hα-helixtrans-66.4-38.1170.8-68.7166000110.4T254 R257 V259 V271 Q274 W275T254-I278 WeakPolarHBondContact CB-O 3.45Å; T254-I278 WeakPolarHBondContact CG2-O 3.37Å; T254-I278 PolarHBondContact OG1-O 3.47Å; R257-I278 HydrophobicContact CB-CG1 4.05Å; V259-I278 HydrophobicContact CG1-CD1 3.94Å; V271-I278 HydrophobicContact CG1-CD1 4.19Å; Q274-I278 HydrophobicContact CB-CD1 4.4Å; Q274-I278 WeakPolarHBondContact O-CG1 3.27Å; Q274-I278 PolarHBondContact O-N 2.7Å; W275-I278 HydrophobicContact CE3-CD1 4.29Å; W275-I278 WeakPolarHBondContact O-CB 3.35Å; W275-I278 PolarHBondContact O-N 3.07Å; W275-I278 VanDerWaalsContact O-N 3.11Å
279C97Very high93.4Very high58 Ų5880 Ų8039%0.39242%0.415SS..THydrogen-bonded Turntrans-92.78.4-176.4-66.90000114.2W275 D276 A277 F281W275-C279 PolarHBondContact O-N 3.02Å; D276-C279 CarbonylContact O-C 3.52Å; D276-C279 PolarHBondContact O-N 3.08Å; A277-C279 VanDerWaalsContact C-N 3.31Å; C279-F281 VanDerWaalsContact O-CD2 3.26Å; C279-F281 WeakPolarHBondContact O-CD2 3.16Å
280D94.8Very high92.9Very high66 Ų6680.5 Ų80.535%0.35342%0.424SS..  trans-81.7120.8179.9-178.912.2000112.3T254 D276 E282T254-D280 WeakPolarHBondContact CB-O 3.12Å; T254-D280 WeakPolarHBondContact CG2-O 2.74Å; D276-D280 PolarHBondContact O-N 2.96Å; D276-D280 VanDerWaalsContact O-N 3.15Å; D280-E282 WeakPolarHBondContact OD1-CB 3.38Å; D280-E282 PolarHBondContact OD1-N 3.2Å
281F95.9Very high92.2Very high103 Ų10385.6 Ų85.645%0.45244%0.442SS..  trans-1001.6-179.2-77.5-92.3000114.2E252 T254 C279 N283 A284E252-F281 HydrophobicContact CG-CD1 3.98Å; E252-F281 HydrophobicContact CG-CE1 3.88Å; E252-F281 WeakPolarHBondContact OE1-CD1 3.41Å; T254-F281 HydrophobicContact CG2-CD1 3.82Å; T254-F281 HydrophobicContact CG2-CD2 3.62Å; T254-F281 HydrophobicContact CG2-CE1 3.69Å; T254-F281 HydrophobicContact CG2-CE2 3.5Å; T254-F281 VanDerWaalsContact CG2-CE2 3.5Å; T254-F281 HydrophobicContact CG2-CG 3.78Å; T254-F281 HydrophobicContact CG2-CZ 3.53Å; C279-F281 VanDerWaalsContact O-CD2 3.26Å; C279-F281 WeakPolarHBondContact O-CD2 3.16Å; F281-N283 VanDerWaalsContact C-N 3.25Å; F281-N283 PolarHBondContact O-N 2.91Å; F281-N283 VanDerWaalsContact O-N 3.16Å; F281-A284 HydrophobicContact CB-CB 4.32Å; F281-A284 HydrophobicContact CD1-CB 3.81Å; F281-A284 WeakPolarHBondContact O-CB 3.11Å; F281-A284 PolarHBondContact O-N 2.94Å
282E92.4Very high91.4Very high161 Ų16188 Ų8875%0.75245%0.451SS*.THydrogen-bonded Turntrans-52.3-43.6-175.7-171.7175.5171.200112.4D280D280-E282 WeakPolarHBondContact OD1-CB 3.38Å; D280-E282 PolarHBondContact OD1-N 3.2Å
283N88.8Confident90.6Very high98 Ų9882.5 Ų82.552%0.52444%0.438SS..THydrogen-bonded Turntrans-111.731.4178.5-63.9-54.8000113.2E255 F281 T285E255-N283 HydrophobicContact CG-CB 4.3Å; F281-N283 VanDerWaalsContact C-N 3.25Å; F281-N283 PolarHBondContact O-N 2.91Å; F281-N283 VanDerWaalsContact O-N 3.16Å; N283-T285 PolarHBondContact O-N 3.41Å
284A91.6Very high89.9Confident6 Ų683 Ų835%0.0544%0.44CS..  trans-54.6136.5-174.600000113E252 R253 F281 K286E252-A284 HydrophobicContact CB-CB 4.27Å; R253-A284 CarbonylContact O-C 3.59Å; R253-A284 WeakPolarHBondContact O-CA 3.21Å; F281-A284 HydrophobicContact CB-CB 4.32Å; F281-A284 HydrophobicContact CD1-CB 3.81Å; F281-A284 WeakPolarHBondContact O-CB 3.11Å; F281-A284 PolarHBondContact O-N 2.94Å; A284-K286 WeakPolarHBondContact O-CE 3.46Å; A284-K286 PolarHBondContact O-NZ 3.19Å
285T91.3Very high88.9Confident54 Ų5485.6 Ų85.633%0.33145%0.451SS..BIsolated β-bridgetrans-80.7161.2173.263.80000111.4E252 R253 N283 P287E252-T285 WeakPolarHBondContact CA-O 3.23Å; R253-T285 PolarHBondContact N-O 3.45Å; R253-T285 PolarHBondContact O-N 2.91Å; R253-T285 PolarHBondContact O-OG1 3.5Å; N283-T285 PolarHBondContact O-N 3.41Å; T285-P287 VanDerWaalsContact C-CD 3.47Å; T285-P287 WeakPolarHBondContact O-CD 3.34Å
286K96.1Very high88Confident99 Ų9980.7 Ų80.743%0.4344%0.438SS..  trans-120.770.1-178.8-72.584.9-169.9170.50109.7A284 A288A284-K286 WeakPolarHBondContact O-CE 3.46Å; A284-K286 PolarHBondContact O-NZ 3.19Å; K286-A288 PolarHBondContact O-N 2.79Å
287P89.6Confident87.2Confident39 Ų3978.2 Ų78.225%0.25343%0.428SS..  trans-61.9130.3-173.726.6-34.6000111R253 T285R253-P287 HydrophobicContact CB-CG 3.96Å; T285-P287 VanDerWaalsContact C-CD 3.47Å; T285-P287 WeakPolarHBondContact O-CD 3.34Å
288A86.1Confident86.5Confident84 Ų8481.1 Ų81.169%0.69444%0.443SS*.  trans-102.6-19.3-174.400000113.6K286 E292K286-A288 PolarHBondContact O-N 2.79Å; A288-E292 PolarHBondContact N-OE2 2.81Å
289N87.4Confident85.4Confident67 Ų6781 Ų8136%0.35845%0.446SS..SBendtrans-153.4169.8-176.858.668.3000112.5Q291 E292 S293N289-Q291 VanDerWaalsContact C-N 3.31Å; N289-Q291 PolarHBondContact O-N 2.95Å; N289-Q291 WeakPolarHBondContact OD1-CB 3.48Å; N289-Q291 PolarHBondContact OD1-N 2.94Å; N289-Q291 VanDerWaalsContact OD1-N 3.17Å; N289-Q291 PolarHBondContact OD1-OE1 2.7Å; N289-E292 VanDerWaalsContact ND2-CD 3.33Å; N289-E292 PolarHBondContact ND2-OE1 3.42Å; N289-E292 WeakPolarHBondContact OD1-CG 3.35Å; N289-E292 PolarHBondContact OD1-N 2.79Å; N289-S293 PolarHBondContact O-N 2.81Å
290V84.3Confident84.7Confident108 Ų10880.8 Ų80.866%0.65544%0.443SS*.Hα-helixtrans-69.1-29.6-177.767.80000112.6S293 L294V290-S293 WeakPolarHBondContact O-CB 3.32Å; V290-S293 PolarHBondContact O-N 3.2Å; V290-L294 PolarHBondContact O-N 3.2Å
291Q78.5Confident83.8Confident128 Ų12881.7 Ų81.760%0.59845%0.447SS*.Hα-helixtrans-67.6-44-179.1-65.578.22.700111.6N289 S293 L294 H295N289-Q291 VanDerWaalsContact C-N 3.31Å; N289-Q291 PolarHBondContact O-N 2.95Å; N289-Q291 WeakPolarHBondContact OD1-CB 3.48Å; N289-Q291 PolarHBondContact OD1-N 2.94Å; N289-Q291 VanDerWaalsContact OD1-N 3.17Å; N289-Q291 PolarHBondContact OD1-OE1 2.7Å; Q291-S293 VanDerWaalsContact C-N 3.28Å; Q291-S293 PolarHBondContact O-N 3.02Å; Q291-L294 PolarHBondContact O-N 3.49Å; Q291-H295 WeakPolarHBondContact O-CB 3.49Å; Q291-H295 PolarHBondContact O-N 2.85Å
292E78.8Confident82.8Confident86 Ų8680 Ų8040%0.40245%0.448SS..Hα-helixtrans-58.6-41173-76.9168.5-157.200111.9A288 N289 S296A288-E292 PolarHBondContact N-OE2 2.81Å; N289-E292 VanDerWaalsContact ND2-CD 3.33Å; N289-E292 PolarHBondContact ND2-OE1 3.42Å; N289-E292 WeakPolarHBondContact OD1-CG 3.35Å; N289-E292 PolarHBondContact OD1-N 2.79Å; E292-S296 PolarHBondContact O-N 3.26Å; E292-S296 PolarHBondContact O-OG 3.36Å
293S81.4Confident81.9Confident45 Ų4576.7 Ų76.732%0.31543%0.433SS..Hα-helixtrans-63-47.8176.9-172.30000111.4R253 N289 V290 Q291 S296 V297R253-S293 PolarHBondContact NH1-OG 2.9Å; R253-S293 VanDerWaalsContact NH1-OG 3.15Å; N289-S293 PolarHBondContact O-N 2.81Å; V290-S293 WeakPolarHBondContact O-CB 3.32Å; V290-S293 PolarHBondContact O-N 3.2Å; Q291-S293 VanDerWaalsContact C-N 3.28Å; Q291-S293 PolarHBondContact O-N 3.02Å; S293-S296 WeakPolarHBondContact O-CB 3.45Å; S293-S296 PolarHBondContact O-N 2.88Å; S293-V297 PolarHBondContact O-N 3.23Å
294L78.8Confident81.4Confident109 Ų10972.1 Ų72.157%0.57141%0.408SS*.Hα-helixtrans-63.8-41.7179.5-178.860.9000112.2V290 Q291 S296 V297 V298V290-L294 PolarHBondContact O-N 3.2Å; Q291-L294 PolarHBondContact O-N 3.49Å; L294-S296 PolarHBondContact O-N 2.96Å; L294-V297 PolarHBondContact O-N 3.36Å; L294-V298 HydrophobicContact CD1-CG2 4.42Å; L294-V298 HydrophobicContact CG-CG2 4.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.36Å; L294-V298 PolarHBondContact O-N 3.41Å
295H74.9Confident80.5Confident137 Ų13776.9 Ų76.963%0.63443%0.43SS*.Hα-helixtrans-54.9-41177.1179.3-92.3000111.8Q291 V297 V298 S299Q291-H295 WeakPolarHBondContact O-CB 3.49Å; Q291-H295 PolarHBondContact O-N 2.85Å; H295-V297 VanDerWaalsContact C-N 3.31Å; H295-V297 PolarHBondContact O-N 3.34Å; H295-V298 PolarHBondContact O-N 3.23Å; H295-S299 PolarHBondContact O-N 3.24Å; H295-S299 PolarHBondContact O-OG 3.05Å
296S77.8Confident79.2Confident36 Ų3678.2 Ų78.225%0.25244%0.441SS..Hα-helixtrans-64.1-35.5178.7-49.50000112.6R253 E292 S293 L294 S299 V300R253-S296 PolarHBondContact NH2-OG 2.88Å; E292-S296 PolarHBondContact O-N 3.26Å; E292-S296 PolarHBondContact O-OG 3.36Å; S293-S296 WeakPolarHBondContact O-CB 3.45Å; S293-S296 PolarHBondContact O-N 2.88Å; L294-S296 PolarHBondContact O-N 2.96Å; S296-S299 WeakPolarHBondContact CA-OG 3.25Å; S296-S299 PolarHBondContact O-OG 2.85Å; S296-V300 WeakPolarHBondContact O-CG2 3.03Å; S296-V300 PolarHBondContact O-N 3.07Å
297V79.4Confident77.1Confident93 Ų9379.7 Ų79.756%0.56445%0.454SS*.Hα-helixtrans-72.5-41.2177.4178.40000110.6S293 L294 H295 S299 V300 L301S293-V297 PolarHBondContact O-N 3.23Å; L294-V297 PolarHBondContact O-N 3.36Å; H295-V297 VanDerWaalsContact C-N 3.31Å; H295-V297 PolarHBondContact O-N 3.34Å; V297-S299 VanDerWaalsContact C-N 3.34Å; V297-S299 PolarHBondContact O-N 3.48Å; V297-V300 PolarHBondContact O-N 3.2Å; V297-L301 PolarHBondContact O-N 3.48Å; V297-L301 VanDerWaalsContact O-N 3.13Å
298V75.7Confident74.7Confident85 Ų8580 Ų8052%0.51547%0.465SS..Hα-helixtrans-63.7-39.8177.1175.30000111.1L294 H295 V300 L301 S302L294-V298 HydrophobicContact CD1-CG2 4.42Å; L294-V298 HydrophobicContact CG-CG2 4.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.36Å; L294-V298 PolarHBondContact O-N 3.41Å; H295-V298 PolarHBondContact O-N 3.23Å; V298-V300 VanDerWaalsContact C-N 3.32Å; V298-V300 PolarHBondContact O-N 2.84Å; V298-L301 WeakPolarHBondContact O-CB 2.86Å; V298-L301 PolarHBondContact O-N 3.31Å; V298-S302 PolarHBondContact O-N 2.98Å
299S73.4Confident72.5Confident38 Ų3884.5 Ų84.527%0.26647%0.471SS..Hα-helixtrans-65.5-33.1175.559.80000113.2H295 S296 V297 L301 S302 Q303H295-S299 PolarHBondContact O-N 3.24Å; H295-S299 PolarHBondContact O-OG 3.05Å; S296-S299 WeakPolarHBondContact CA-OG 3.25Å; S296-S299 PolarHBondContact O-OG 2.85Å; V297-S299 VanDerWaalsContact C-N 3.34Å; V297-S299 PolarHBondContact O-N 3.48Å; S299-L301 VanDerWaalsContact C-N 3.35Å; S299-S302 PolarHBondContact O-OG 2.95Å; S299-Q303 WeakPolarHBondContact O-CG 3.15Å; S299-Q303 PolarHBondContact O-N 2.57Å; S299-Q303 VanDerWaalsContact O-N 3.16Å
300V80.9Confident70Confident54 Ų5488.5 Ų88.533%0.32750%0.497SS..Hα-helixtrans-68.1-37174.3166.10000111.2I258 S296 V297 V298 Q303 V304I258-V300 HydrophobicContact CD1-CB 4.48Å; I258-V300 HydrophobicContact CD1-CG1 4.1Å; I258-V300 HydrophobicContact CD1-CG2 4.19Å; I258-V300 HydrophobicContact CG1-CB 4.48Å; I258-V300 HydrophobicContact CG1-CG1 3.84Å; I258-V300 HydrophobicContact CG1-CG2 4.02Å; I258-V300 HydrophobicContact CG2-CG1 4.16Å; S296-V300 WeakPolarHBondContact O-CG2 3.03Å; S296-V300 PolarHBondContact O-N 3.07Å; V297-V300 PolarHBondContact O-N 3.2Å; V298-V300 VanDerWaalsContact C-N 3.32Å; V298-V300 PolarHBondContact O-N 2.84Å; V300-Q303 PolarHBondContact O-N 3.11Å; V300-V304 HydrophobicContact CG1-CG2 4.41Å; V300-V304 WeakPolarHBondContact O-CG2 3.45Å; V300-V304 PolarHBondContact O-N 2.95Å
301L76Confident67.7Low86 Ų8687.2 Ų87.245%0.4551%0.506SS..Hα-helixtrans-60.7-47.6177.5-179.362.4000111.3V297 V298 S299 Q303 V304 E305V297-L301 PolarHBondContact O-N 3.48Å; V297-L301 VanDerWaalsContact O-N 3.13Å; V298-L301 WeakPolarHBondContact O-CB 2.86Å; V298-L301 PolarHBondContact O-N 3.31Å; S299-L301 VanDerWaalsContact C-N 3.35Å; L301-Q303 PolarHBondContact O-N 3.17Å; L301-V304 PolarHBondContact O-N 3.3Å; L301-E305 WeakPolarHBondContact O-CG 3.46Å; L301-E305 PolarHBondContact O-N 2.89Å
302S74.8Confident65.3Low68 Ų6886 Ų8648%0.47652%0.518SS..Hα-helixtrans-64-39.4178.658.10000112.4V298 S299 E305 S306V298-S302 PolarHBondContact O-N 2.98Å; S299-S302 PolarHBondContact O-OG 2.95Å; S302-E305 PolarHBondContact O-N 3.04Å; S302-S306 PolarHBondContact O-N 2.65Å; S302-S306 PolarHBondContact O-OG 3.39Å
303Q74.8Confident62.9Low90 Ų9089 Ų8942%0.42154%0.537SS..Hα-helixtrans-61.2-44.6176.3-74.6167.6-11.100112.7I258 S299 V300 L301 E305 S306 D307I258-Q303 HydrophobicContact CD1-CB 3.96Å; S299-Q303 WeakPolarHBondContact O-CG 3.15Å; S299-Q303 PolarHBondContact O-N 2.57Å; S299-Q303 VanDerWaalsContact O-N 3.16Å; V300-Q303 PolarHBondContact O-N 3.11Å; L301-Q303 PolarHBondContact O-N 3.17Å; Q303-E305 VanDerWaalsContact C-N 3.26Å; Q303-E305 PolarHBondContact O-N 3.24Å; Q303-S306 PolarHBondContact O-N 3.34Å; Q303-S306 PolarHBondContact O-OG 3.15Å; Q303-D307 PolarHBondContact O-N 2.9Å
304V78.5Confident60.6Low2 Ų293 Ų931%0.01256%0.562CS.*Hα-helixtrans-66.9-30.6178.3178.60000111.7I258 R260 R262 V300 L301 S306I258-V304 HydrophobicContact CG2-CG2 3.3Å; R260-V304 VanDerWaalsContact NH1-CG1 3.34Å; R262-V304 WeakPolarHBondContact CB-O 3.42Å; V300-V304 HydrophobicContact CG1-CG2 4.41Å; V300-V304 WeakPolarHBondContact O-CG2 3.45Å; V300-V304 PolarHBondContact O-N 2.95Å; L301-V304 PolarHBondContact O-N 3.3Å; V304-S306 VanDerWaalsContact C-N 3.34Å
305E72.7Confident58.2Low107 Ų10792.4 Ų92.450%0.557%0.573SS.*Hα-helixtrans-73.4-25.9178-71.8176.6177.100112.5R262 L301 S302 Q303R262-E305 WeakPolarHBondContact CD-O 3.49Å; R262-E305 PolarHBondContact NE-O 3.27Å; R262-E305 PolarHBondContact NH1-O 3.39Å; L301-E305 WeakPolarHBondContact O-CG 3.46Å; L301-E305 PolarHBondContact O-N 2.89Å; S302-E305 PolarHBondContact O-N 3.04Å; Q303-E305 VanDerWaalsContact C-N 3.26Å; Q303-E305 PolarHBondContact O-N 3.24Å
306S63.7Low55.9Low81 Ų8190 Ų9057%0.56658%0.577SS**Hα-helixtrans-81.3-25.2178.7490000115.7S302 Q303 V304 G308S302-S306 PolarHBondContact O-N 2.65Å; S302-S306 PolarHBondContact O-OG 3.39Å; Q303-S306 PolarHBondContact O-N 3.34Å; Q303-S306 PolarHBondContact O-OG 3.15Å; V304-S306 VanDerWaalsContact C-N 3.34Å; S306-G308 PolarHBondContact O-N 2.92Å
307D50.6Low53.6Low130 Ų13093 Ų9370%0.69560%0.603SS**THydrogen-bonded Turntrans-72.214.7-171-81.6-6.5000116.5Q303Q303-D307 PolarHBondContact O-N 2.9Å
308G39.9Very low51.3Low47 Ų4793.6 Ų93.649%0.48562%0.618SS.*THydrogen-bonded Turntrans-100.8-6.4-172.500000117.5S306S306-G308 PolarHBondContact O-N 2.92Å
309E40.2Very low49.1Very low178 Ų17893.8 Ų93.883%0.83263%0.629SS**  trans-105.867.2-174.2-70.2-167.1170.500113
310V35.4Very low46.9Very low150 Ų15097.3 Ų97.391%0.90965%0.653SS**  trans-140.299.9163.9-169.60000110.1
311G35.3Very low44.4Very low82 Ų8298.5 Ų98.585%0.84568%0.676SS**  trans166.856.1173.600000116.1
312A27.8Very low42.3Very low103 Ų10399 Ų9985%0.85169%0.693SS**  trans-153.7131.1158.400000113.1
313N29.4Very low40.1Very low147 Ų147103 Ų10379%0.78672%0.715SS**  trans-40.5135.2179.1-116.7-18.9000116.6A315N313-A315 VanDerWaalsContact C-N 3.28Å; N313-A315 PolarHBondContact O-N 2.96Å
314P33.3Very low38.4Very low130 Ų130102.4 Ų102.484%0.84473%0.733SS**THydrogen-bonded Turntrans-8540.6-176.835.2-35.1000114.6
315A27.4Very low36.6Very low97 Ų97108.5 Ų108.580%0.80278%0.776SS**THydrogen-bonded Turntrans-128.5-1.9-17800000115.7N313N313-A315 VanDerWaalsContact C-N 3.28Å; N313-A315 PolarHBondContact O-N 2.96Å
316A26.9Very low35.6Very low87 Ų87105.7 Ų105.772%0.71978%0.775SS**SBendtrans-112-6.5179.700000114.7A318A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 2.92Å
317A28.8Very low35.7Very low97 Ų97104.1 Ų104.180%0.80276%0.758SS**THydrogen-bonded Turntrans-8720.8-172.700000114.9
318A31.6Very low36.9Very low107 Ų107101 Ų10188%0.88474%0.742SS**THydrogen-bonded Turntrans-91.22.4172.200000113.3A316A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 2.92Å
319A29.2Very low38.7Very low89 Ų8999.6 Ų99.674%0.73672%0.724SS**SBendtrans-142.967.8-175.400000113
320S27.3Very low40.6Very low111 Ų11194.8 Ų94.878%0.77672%0.715SS**  trans-161.3108.1152.657.40000109.9
321G28Very low42.8Very low79 Ų7992.6 Ų92.681%0.81470%0.695SS**  trans-73.5140.6173.900000112.4
322A32.4Very low45.2Very low96 Ų9688.7 Ų88.779%0.79365%0.654SS**  trans44.7113.1151.200000119.8
323T29Very low48.2Very low152 Ų15286.7 Ų86.793%0.93363%0.629SS**  -166.8142103.438.80000109.3
324G39.3Very low51Low79 Ų7982.1 Ų82.181%0.81462%0.616SS**  trans-100.2168.2-165.100000116.7
325S41.3Very low53.7Low130 Ų13079.7 Ų79.791%0.90959%0.594SS**  trans-173.2110.8153.247.40000109.5
326G51.6Low56.6Low47 Ų4781.8 Ų81.849%0.48559%0.585SS.*SBendtrans163.3-3516900000115.5
327F65.2Low59.5Low48 Ų4878 Ų7821%0.21155%0.552CS.*  trans-108.898.5175.6-160.5-101.4000109P329 G401 L402 V437 A444 A471 F474F327-P329 HydrophobicContact CD1-CG 3.77Å; F327-P329 HydrophobicContact CE1-CG 3.65Å; F327-P329 WeakPolarHBondContact O-CD 3.42Å; F327-G401 CarbonylContact C-O 3.53Å; F327-G401 WeakPolarHBondContact CA-O 3.44Å; F327-L402 HydrophobicContact CD2-CD2 4.33Å; F327-L402 HydrophobicContact CE2-CD2 3.53Å; F327-L402 HydrophobicContact CZ-CD2 3.75Å; F327-V437 HydrophobicContact CE1-CG1 3.96Å; F327-V437 HydrophobicContact CZ-CG1 3.86Å; F327-A444 HydrophobicContact CE1-CB 4.02Å; F327-A444 HydrophobicContact CZ-CB 3.65Å; F327-A471 HydrophobicContact CD2-CB 4.38Å; F327-A471 HydrophobicContact CE2-CB 4.06Å; F327-A471 HydrophobicContact CZ-CB 4.26Å; F327-F474 AromaticContact CD1-CD1 3.8Å; F327-F474 HydrophobicContact CD1-CD1 3.8Å; F327-F474 HydrophobicContact CD1-CE1 4.11Å; F327-F474 HydrophobicContact CD1-CG 4.19Å; F327-F474 AromaticContact CE1-CD1 3.72Å; F327-F474 HydrophobicContact CE1-CD1 3.72Å; F327-F474 AromaticContact CE1-CE1 3.52Å; F327-F474 HydrophobicContact CE1-CE1 3.52Å; F327-F474 HydrophobicContact CE1-CG 4.36Å; F327-F474 AromaticContact CE1-CZ 3.96Å; F327-F474 HydrophobicContact CE1-CZ 3.96Å
328N75.9Confident62Low64 Ų6477.4 Ų77.434%0.34254%0.54SS..  trans-114.588.3174.2-170.7-4000110.3A330 E331 G401N328-A330 PolarHBondContact O-N 2.88Å; N328-A330 VanDerWaalsContact O-N 3.1Å; N328-A330 PolarHBondContact OD1-N 2.8Å; N328-E331 HydrophobicContact CB-CB 4.47Å; N328-E331 HydrophobicContact CB-CG 4.4Å; N328-E331 WeakPolarHBondContact ND2-CG 3.39Å; N328-E331 PolarHBondContact ND2-OE1 3.41Å; N328-E331 PolarHBondContact O-N 3.06Å; N328-E331 VanDerWaalsContact O-N 3.12Å; N328-G401 CarbonylContact C-O 3.48Å; N328-G401 PolarHBondContact N-O 3.37Å
329P76.8Confident64.6Low18 Ų1876.2 Ų76.212%0.11753%0.525CS..Hα-helixtrans-52.6-31.7178.2-29.435000114.9F327 E331 A332 I333 V437 F474F327-P329 HydrophobicContact CD1-CG 3.77Å; F327-P329 HydrophobicContact CE1-CG 3.65Å; F327-P329 WeakPolarHBondContact O-CD 3.42Å; P329-E331 VanDerWaalsContact C-N 3.3Å; P329-E331 PolarHBondContact O-N 3.49Å; P329-A332 PolarHBondContact O-N 2.94Å; P329-I333 WeakPolarHBondContact O-CD1 3.23Å; P329-I333 VanDerWaalsContact O-CG1 3.26Å; P329-I333 WeakPolarHBondContact O-CG1 3.46Å; P329-I333 PolarHBondContact O-N 3.09Å; P329-V437 HydrophobicContact CB-CB 3.97Å; P329-V437 HydrophobicContact CB-CG1 4.01Å; P329-V437 HydrophobicContact CG-CG1 4.18Å; P329-F474 HydrophobicContact CB-CE2 4.25Å; P329-F474 HydrophobicContact CG-CD2 3.58Å; P329-F474 HydrophobicContact CG-CE2 3.47Å; P329-F474 VanDerWaalsContact CG-CE2 3.47Å; P329-F474 HydrophobicContact CG-CG 4.17Å; P329-F474 HydrophobicContact CG-CZ 4.02Å
330A80Confident67.3Low78 Ų7873.7 Ų73.765%0.64550%0.502SS*.Hα-helixtrans-69.2-29.2-176.900000112.6N328N328-A330 PolarHBondContact O-N 2.88Å; N328-A330 VanDerWaalsContact O-N 3.1Å; N328-A330 PolarHBondContact OD1-N 2.8Å
331E82.6Confident70.4Confident103 Ų10372.1 Ų72.148%0.48149%0.491SS..Hα-helixtrans-78.2-26.5175.5-74.1171.9-158.900112.5N328 P329 Q335N328-E331 HydrophobicContact CB-CB 4.47Å; N328-E331 HydrophobicContact CB-CG 4.4Å; N328-E331 WeakPolarHBondContact ND2-CG 3.39Å; N328-E331 PolarHBondContact ND2-OE1 3.41Å; N328-E331 PolarHBondContact O-N 3.06Å; N328-E331 VanDerWaalsContact O-N 3.12Å; P329-E331 VanDerWaalsContact C-N 3.3Å; P329-E331 PolarHBondContact O-N 3.49Å; E331-Q335 WeakPolarHBondContact O-CG 3.3Å; E331-Q335 PolarHBondContact O-NE2 3.26Å
332A84.8Confident73.5Confident0 Ų070.2 Ų70.20%046%0.461CS..Hα-helixtrans-80.5-37.7-177.700000113.1P329 G334 Q335 V399 P400 L402 V434 V437P329-A332 PolarHBondContact O-N 2.94Å; A332-G334 PolarHBondContact O-N 3.01Å; A332-Q335 VanDerWaalsContact O-CB 3.3Å; A332-Q335 WeakPolarHBondContact O-CB 3.38Å; A332-Q335 VanDerWaalsContact O-CG 3.28Å; A332-Q335 WeakPolarHBondContact O-CG 3.43Å; A332-Q335 PolarHBondContact O-N 3.22Å; A332-Q335 VanDerWaalsContact O-N 3.15Å; A332-V399 HydrophobicContact CB-CG1 3.82Å; A332-P400 WeakPolarHBondContact CA-O 3.31Å; A332-P400 PolarHBondContact N-O 3.47Å; A332-L402 HydrophobicContact CB-CD1 3.98Å; A332-L402 HydrophobicContact CB-CD2 3.79Å; A332-L402 HydrophobicContact CB-CG 3.55Å; A332-V434 VanDerWaalsContact O-CB 3.24Å; A332-V434 WeakPolarHBondContact O-CB 3.41Å; A332-V437 HydrophobicContact CB-CG2 4.47Å
333I90.7Very high76.4Confident62 Ų6269.5 Ų69.532%0.31845%0.45SS..THydrogen-bonded Turntrans-64.8128.4-175.6-66.1164.3000110.4P329 Q335 V437P329-I333 WeakPolarHBondContact O-CD1 3.23Å; P329-I333 VanDerWaalsContact O-CG1 3.26Å; P329-I333 WeakPolarHBondContact O-CG1 3.46Å; P329-I333 PolarHBondContact O-N 3.09Å; I333-Q335 VanDerWaalsContact C-N 3.32Å; I333-V437 HydrophobicContact CG1-CG2 4.13Å
334G88.8Confident79.5Confident50 Ų5062.5 Ų62.552%0.51541%0.407SS..THydrogen-bonded Turntrans87.1-6.7-178.200000114.5A332 K336 V434A332-G334 PolarHBondContact O-N 3.01Å; G334-K336 PolarHBondContact O-N 3.42Å; G334-V434 PolarHBondContact N-O 2.86Å
335Q89.4Confident82.2Confident79 Ų7961.8 Ų61.837%0.36939%0.386SS..PPolyproline II helixtrans-66.7134.8175-64.3-63.6-1700110.7E331 A332 I333 V399 T433 V434E331-Q335 WeakPolarHBondContact O-CG 3.3Å; E331-Q335 PolarHBondContact O-NE2 3.26Å; A332-Q335 VanDerWaalsContact O-CB 3.3Å; A332-Q335 WeakPolarHBondContact O-CB 3.38Å; A332-Q335 VanDerWaalsContact O-CG 3.28Å; A332-Q335 WeakPolarHBondContact O-CG 3.43Å; A332-Q335 PolarHBondContact O-N 3.22Å; A332-Q335 VanDerWaalsContact O-N 3.15Å; I333-Q335 VanDerWaalsContact C-N 3.32Å; Q335-V399 HydrophobicContact CB-CG1 4.06Å; Q335-V399 HydrophobicContact CG-CG1 4.26Å; Q335-T433 WeakPolarHBondContact O-CA 3.33Å; Q335-V434 PolarHBondContact O-N 2.79Å
336K89.7Confident84.9Confident141 Ų14156.9 Ų56.961%0.61335%0.352SS*.BIsolated β-bridgetrans-90.9131.4173.5-67.5-167.7173.6-163.80109.7G334 E431 T432G334-K336 PolarHBondContact O-N 3.42Å; K336-E431 IonicContact NZ-OE2 3.36Å; K336-T432 WeakPolarHBondContact CA-O 3.46Å
337L86.6Confident87Confident7 Ų759.6 Ų59.64%0.03736%0.356CS..PPolyproline II helixtrans-77.6156.7168.9-77.565.5000109S339 G395 L396 V399 T432 V434L337-S339 PolarHBondContact O-N 3.45Å; L337-G395 VanDerWaalsContact CD2-C 3.5Å; L337-L396 HydrophobicContact CD2-CD1 4.41Å; L337-V399 HydrophobicContact CD1-CG2 3.64Å; L337-V399 HydrophobicContact CG-CG2 4.13Å; L337-T432 HydrophobicContact CD1-CG2 4.45Å; L337-T432 HydrophobicContact CD2-CG2 4.13Å; L337-T432 PolarHBondContact N-O 2.86Å; L337-V434 HydrophobicContact CD1-CG2 4.06Å
338P82.4Confident88.5Confident85 Ų8560.6 Ų60.655%0.55236%0.361SS*.PPolyproline II helixtrans-52.2133.5173.5-26.134.7000111.7S340P338-S340 PolarHBondContact O-N 3.29Å
339S85.3Confident89.6Confident82 Ų8257.6 Ų57.657%0.57335%0.345SS*.PPolyproline II helixtrans-62.7136.1174.958.10000110.2L337 S430L337-S339 PolarHBondContact O-N 3.45Å; S339-S430 WeakPolarHBondContact CA-O 3.36Å
340S87.2Confident90.6Very high36 Ų3658 Ų5825%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-116.7136177.9-174.90000110.8P338 T429 S430P338-S340 PolarHBondContact O-N 3.29Å; S340-T429 CarbonylContact O-C 3.58Å; S340-T429 WeakPolarHBondContact O-CA 3.11Å; S340-S430 PolarHBondContact N-O 3.32Å; S340-S430 PolarHBondContact O-N 3.23Å
341S91.2Very high91.4Very high78 Ų7856.4 Ų56.455%0.54533%0.326SS..EExtended strand (participates in β ladder)trans-103.4131.9173.7-64.90000110.3L428 T429S341-L428 CarbonylContact C-O 3.26Å; S341-L428 WeakPolarHBondContact CA-O 3.44Å; S341-T429 PolarHBondContact OG-OG1 3.22Å
342F93.1Very high92.2Very high39 Ų3951.5 Ų51.517%0.17130%0.304CS..EExtended strand (participates in β ladder)trans-122.7108.5-178.1-175.5-94.5000109.5F344 F382 I385 P386 T427 L428F342-F344 HydrophobicContact CD1-CB 4.18Å; F342-F344 HydrophobicContact CD1-CD1 4.14Å; F342-F344 HydrophobicContact CD1-CG 4.45Å; F342-F344 HydrophobicContact CE1-CB 3.66Å; F342-F344 HydrophobicContact CE1-CD1 4.27Å; F342-F344 HydrophobicContact CE1-CG 4.14Å; F342-F344 HydrophobicContact CZ-CB 4.48Å; F342-F382 HydrophobicContact CE1-CE1 4.28Å; F342-F382 AromaticContact CE1-CZ 3.79Å; F342-F382 HydrophobicContact CE1-CZ 3.79Å; F342-F382 HydrophobicContact CZ-CZ 4.33Å; F342-I385 HydrophobicContact CE1-CG2 4.33Å; F342-I385 HydrophobicContact CE2-CG2 4.03Å; F342-I385 HydrophobicContact CZ-CG2 3.72Å; F342-P386 HydrophobicContact CB-CB 3.99Å; F342-P386 HydrophobicContact CD1-CB 4.19Å; F342-P386 HydrophobicContact CD1-CG 3.86Å; F342-P386 HydrophobicContact CE1-CG 4.35Å; F342-P386 HydrophobicContact CG-CB 4.17Å; F342-P386 HydrophobicContact CG-CG 4.33Å; F342-T427 WeakPolarHBondContact O-CA 3.33Å; F342-L428 PolarHBondContact N-O 3.18Å; F342-L428 PolarHBondContact O-N 3.18Å
343S93.5Very high92.8Very high81 Ų8151.6 Ų51.657%0.56630%0.304SS*.EExtended strand (participates in β ladder)trans-95133.3176.4-64.90000110.5G426 T427S343-G426 WeakPolarHBondContact CA-O 3.26Å; S343-T427 WeakPolarHBondContact OG-CG2 3.31Å; S343-T427 PolarHBondContact OG-OG1 2.76Å
344F95.4Very high93.1Very high6 Ų651.8 Ų51.83%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-147.1157.2-177.675.7-74.8000112.1F342 Q348 C349 F382 P423 S425 G426 L428F342-F344 HydrophobicContact CD1-CB 4.18Å; F342-F344 HydrophobicContact CD1-CD1 4.14Å; F342-F344 HydrophobicContact CD1-CG 4.45Å; F342-F344 HydrophobicContact CE1-CB 3.66Å; F342-F344 HydrophobicContact CE1-CD1 4.27Å; F342-F344 HydrophobicContact CE1-CG 4.14Å; F342-F344 HydrophobicContact CZ-CB 4.48Å; F344-Q348 HydrophobicContact CB-CB 3.92Å; F344-Q348 HydrophobicContact CB-CG 4.08Å; F344-C349 VanDerWaalsContact CE2-SG 3.55Å; F344-F382 HydrophobicContact CB-CZ 4.41Å; F344-F382 AromaticContact CD2-CE1 3.76Å; F344-F382 HydrophobicContact CD2-CE1 3.76Å; F344-F382 AromaticContact CD2-CZ 3.96Å; F344-F382 HydrophobicContact CD2-CZ 3.96Å; F344-F382 AromaticContact CE2-CE1 3.84Å; F344-F382 HydrophobicContact CE2-CE1 3.84Å; F344-F382 HydrophobicContact CE2-CZ 4.47Å; F344-F382 HydrophobicContact CG-CE1 4.1Å; F344-F382 HydrophobicContact CG-CZ 4.19Å; F344-F382 HydrophobicContact CZ-CE1 4.26Å; F344-P423 VanDerWaalsContact CE2-O 3.3Å; F344-P423 WeakPolarHBondContact CE2-O 3.43Å; F344-P423 HydrophobicContact CZ-CG 4.06Å; F344-P423 VanDerWaalsContact CZ-O 3.23Å; F344-P423 WeakPolarHBondContact CZ-O 3.25Å; F344-S425 CarbonylContact O-C 3.58Å; F344-S425 VanDerWaalsContact O-CA 3.29Å; F344-S425 WeakPolarHBondContact O-CA 3.36Å; F344-G426 VanDerWaalsContact CD1-O 3.29Å; F344-G426 WeakPolarHBondContact CD1-O 3.29Å; F344-G426 PolarHBondContact N-O 3.31Å; F344-G426 PolarHBondContact O-N 3.06Å; F344-L428 HydrophobicContact CD1-CD1 4.5Å; F344-L428 HydrophobicContact CE1-CD1 3.73Å; F344-L428 HydrophobicContact CE1-CG 3.85Å; F344-L428 HydrophobicContact CZ-CD1 4.33Å
345T95.9Very high93.5Very high63 Ų6349.4 Ų49.439%0.38728%0.281SS..  trans-121.4-176.8171.670.40000110N347 Q348 C349 T424T345-N347 PolarHBondContact O-N 3.47Å; T345-N347 PolarHBondContact OG1-N 2.62Å; T345-Q348 PolarHBondContact O-N 2.99Å; T345-Q348 PolarHBondContact OG1-OE1 3.45Å; T345-C349 PolarHBondContact O-N 3.32Å; T345-T424 CarbonylContact C-O 3.27Å; T345-T424 VanDerWaalsContact C-O 3.26Å
346S96.4Very high93.9Very high28 Ų2845.7 Ų45.720%0.19626%0.263CS..Hα-helixtrans-51.1-30.3172.651.10000112.6Q348 C349 I350 T424S346-Q348 PolarHBondContact O-N 3.19Å; S346-C349 WeakPolarHBondContact O-CB 3.38Å; S346-C349 PolarHBondContact O-N 3.11Å; S346-C349 VanDerWaalsContact O-N 3.17Å; S346-I350 VanDerWaalsContact O-CG1 3.29Å; S346-I350 WeakPolarHBondContact O-CG1 3.43Å; S346-I350 PolarHBondContact O-N 2.87Å; S346-T424 WeakPolarHBondContact CA-O 3.4Å; S346-T424 PolarHBondContact N-O 3.45Å
347N96.4Very high94.2Very high103 Ų10339.5 Ų39.555%0.55124%0.24SC*.Hα-helixtrans-57.7-45.8177.7-69.4-4.8000112.3T345 I350 L351T345-N347 PolarHBondContact O-N 3.47Å; T345-N347 PolarHBondContact OG1-N 2.62Å; N347-I350 PolarHBondContact O-N 3.46Å; N347-L351 WeakPolarHBondContact O-CB 3.44Å; N347-L351 PolarHBondContact O-N 3.18Å
348Q97.3Very high94.6Very high69 Ų6939.5 Ų39.532%0.32224%0.24SC..Hα-helixtrans-69.3-35.2178.2-78.271.240.400111.7F344 T345 S346 Y352 F382F344-Q348 HydrophobicContact CB-CB 3.92Å; F344-Q348 HydrophobicContact CB-CG 4.08Å; T345-Q348 PolarHBondContact O-N 2.99Å; T345-Q348 PolarHBondContact OG1-OE1 3.45Å; S346-Q348 PolarHBondContact O-N 3.19Å; Q348-Y352 VanDerWaalsContact O-CB 3.31Å; Q348-Y352 WeakPolarHBondContact O-CB 3.38Å; Q348-Y352 PolarHBondContact O-N 2.95Å; Q348-F382 HydrophobicContact CB-CE2 4.22Å; Q348-F382 HydrophobicContact CB-CZ 4.04Å
349C97.4Very high95Very high2 Ų237.4 Ų37.41%0.01423%0.227CC..Hα-helixtrans-60.8-47.5174.4-59.20000111.3F344 T345 S346 A353 F376 C378F344-C349 VanDerWaalsContact CE2-SG 3.55Å; T345-C349 PolarHBondContact O-N 3.32Å; S346-C349 WeakPolarHBondContact O-CB 3.38Å; S346-C349 PolarHBondContact O-N 3.11Å; S346-C349 VanDerWaalsContact O-N 3.17Å; C349-A353 WeakPolarHBondContact O-CB 3.37Å; C349-A353 PolarHBondContact O-N 2.94Å; C349-F376 HydrophobicContact CB-CZ 4.15Å; C349-C378 HydrophobicContact CB-CB 4.3Å; C349-C378 PolarHBondContact SG-SG 2.9Å
350I98.1Very high95.3Very high25 Ų2538.7 Ų38.713%0.12823%0.231CC..Hα-helixtrans-67.1-45.4179.9-65.2163.7000110.4S346 N347 Y352 A353 L354 L369 E371 F376S346-I350 VanDerWaalsContact O-CG1 3.29Å; S346-I350 WeakPolarHBondContact O-CG1 3.43Å; S346-I350 PolarHBondContact O-N 2.87Å; N347-I350 PolarHBondContact O-N 3.46Å; I350-Y352 VanDerWaalsContact C-N 3.33Å; I350-Y352 PolarHBondContact O-N 2.92Å; I350-A353 PolarHBondContact O-N 3.28Å; I350-A353 VanDerWaalsContact O-N 3.15Å; I350-L354 HydrophobicContact CG2-CD1 4.08Å; I350-L354 HydrophobicContact CG2-CG 4.45Å; I350-L354 WeakPolarHBondContact O-CG 3.18Å; I350-L354 PolarHBondContact O-N 2.89Å; I350-L369 HydrophobicContact CG2-CD2 4.25Å; I350-E371 HydrophobicContact CD1-CB 4.48Å; I350-F376 HydrophobicContact CD1-CE2 4.2Å; I350-F376 HydrophobicContact CD1-CZ 4.16Å; I350-F376 HydrophobicContact CG1-CE2 3.83Å; I350-F376 HydrophobicContact CG1-CZ 3.89Å
351L97.7Very high95.4Very high45 Ų4548 Ų4824%0.23626%0.261CS..Hα-helixtrans-59.2-44.5178.5-177.263.2000111.5N347 G355 L509 L512N347-L351 WeakPolarHBondContact O-CB 3.44Å; N347-L351 PolarHBondContact O-N 3.18Å; L351-G355 PolarHBondContact O-N 2.93Å; L351-L509 HydrophobicContact CD1-CD1 3.91Å; L351-L512 HydrophobicContact CD1-CB 4.27Å; L351-L512 HydrophobicContact CD1-CD1 4.27Å; L351-L512 HydrophobicContact CD2-CB 3.81Å; L351-L512 HydrophobicContact CG-CB 4.28Å
352Y98.3Very high95.1Very high1 Ų145.8 Ų45.80%0.00424%0.243CC..Hα-helixtrans-62.9-46174176.3-96.5000111.7Q348 I350 L354 G355 V356 L379 T381 F382 I385 Y510Q348-Y352 VanDerWaalsContact O-CB 3.31Å; Q348-Y352 WeakPolarHBondContact O-CB 3.38Å; Q348-Y352 PolarHBondContact O-N 2.95Å; I350-Y352 VanDerWaalsContact C-N 3.33Å; I350-Y352 PolarHBondContact O-N 2.92Å; Y352-L354 VanDerWaalsContact C-N 3.33Å; Y352-L354 PolarHBondContact O-N 3.45Å; Y352-G355 CarbonylContact O-C 3Å; Y352-G355 WeakPolarHBondContact O-CA 3.37Å; Y352-G355 PolarHBondContact O-N 2.96Å; Y352-V356 HydrophobicContact CD1-CG2 4.42Å; Y352-V356 HydrophobicContact CD2-CG1 4.41Å; Y352-V356 HydrophobicContact CE1-CG1 4.05Å; Y352-V356 HydrophobicContact CE1-CG2 4.08Å; Y352-V356 HydrophobicContact CE2-CG1 3.87Å; Y352-V356 WeakPolarHBondContact O-CG2 3.32Å; Y352-V356 PolarHBondContact O-N 3.48Å; Y352-L379 HydrophobicContact CD1-CB 4.22Å; Y352-L379 HydrophobicContact CD1-CD1 4.37Å; Y352-L379 HydrophobicContact CE1-CB 4.01Å; Y352-L379 HydrophobicContact CE1-CD1 4.28Å; Y352-T381 WeakPolarHBondContact OH-CB 3.37Å; Y352-T381 PolarHBondContact OH-O 2.81Å; Y352-T381 PolarHBondContact OH-OG1 3.16Å; Y352-F382 HydrophobicContact CD1-CB 3.84Å; Y352-F382 AromaticContact CD1-CD2 3.98Å; Y352-F382 HydrophobicContact CD1-CD2 3.98Å; Y352-F382 HydrophobicContact CD1-CG 4.42Å; Y352-F382 AromaticContact CD2-CD2 3.99Å; Y352-F382 HydrophobicContact CD2-CD2 3.99Å; Y352-F382 HydrophobicContact CE1-CB 3.98Å; Y352-F382 HydrophobicContact CG-CB 4.28Å; Y352-F382 AromaticContact CG-CD2 3.57Å; Y352-F382 HydrophobicContact CG-CD2 3.57Å; Y352-F382 HydrophobicContact CG-CE2 4.43Å; Y352-F382 HydrophobicContact CG-CG 4.42Å; Y352-I385 HydrophobicContact CD2-CD1 4.11Å; Y352-I385 HydrophobicContact CD2-CG1 3.88Å; Y352-I385 HydrophobicContact CE2-CD1 4.03Å; Y352-I385 HydrophobicContact CE2-CG1 3.95Å; Y352-Y510 HydrophobicContact CD2-CE2 4.2Å; Y352-Y510 AromaticContact CE2-CE2 3.74Å; Y352-Y510 HydrophobicContact CE2-CE2 3.74Å
353A97.9Very high94.5Very high1 Ų148.5 Ų48.51%0.00827%0.265CS..Hα-helixtrans-57.5-44.8179.300000112.1C349 I350 V356 G357 M358 F368 L369 L379C349-A353 WeakPolarHBondContact O-CB 3.37Å; C349-A353 PolarHBondContact O-N 2.94Å; I350-A353 PolarHBondContact O-N 3.28Å; I350-A353 VanDerWaalsContact O-N 3.15Å; A353-V356 WeakPolarHBondContact O-CG2 3.38Å; A353-V356 PolarHBondContact O-N 3.08Å; A353-G357 PolarHBondContact O-N 3.49Å; A353-M358 HydrophobicContact CB-CB 4.16Å; A353-M358 HydrophobicContact CB-CG 4.1Å; A353-M358 VanDerWaalsContact O-CB 3.29Å; A353-M358 WeakPolarHBondContact O-CB 3.4Å; A353-M358 PolarHBondContact O-N 3.47Å; A353-F368 HydrophobicContact CB-CB 4.16Å; A353-L369 HydrophobicContact CB-CD2 4.03Å; A353-L379 HydrophobicContact CB-CD1 3.86Å; A353-L379 HydrophobicContact CB-CG 4.44Å
354L97.8Very high94Very high67 Ų6749.3 Ų49.335%0.35126%0.263SS..Hα-helixtrans-63.2-43.3172.4-66.9169.2000111.6I350 Y352 V356 G357 L369 Q506 L509I350-L354 HydrophobicContact CG2-CD1 4.08Å; I350-L354 HydrophobicContact CG2-CG 4.45Å; I350-L354 WeakPolarHBondContact O-CG 3.18Å; I350-L354 PolarHBondContact O-N 2.89Å; Y352-L354 VanDerWaalsContact C-N 3.33Å; Y352-L354 PolarHBondContact O-N 3.45Å; L354-V356 PolarHBondContact O-N 2.87Å; L354-G357 PolarHBondContact O-N 3.24Å; L354-L369 HydrophobicContact CD2-CD1 4.38Å; L354-L369 HydrophobicContact CD2-CD2 3.6Å; L354-L369 HydrophobicContact CG-CD2 3.72Å; L354-Q506 PolarHBondContact O-NE2 2.81Å; L354-L509 HydrophobicContact CB-CD2 4.01Å
355G97.4Very high93.7Very high0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-60.7-27.2178.200000114L351 Y352 Q506 C540L351-G355 PolarHBondContact O-N 2.93Å; Y352-G355 CarbonylContact O-C 3Å; Y352-G355 WeakPolarHBondContact O-CA 3.37Å; Y352-G355 PolarHBondContact O-N 2.96Å; G355-Q506 PolarHBondContact O-NE2 3.17Å; G355-C540 PolarHBondContact O-SG 2.81Å
356V97.5Very high93.5Very high0 Ų049.6 Ų49.60%026%0.262CS..THydrogen-bonded Turntrans-101.416.1173.3-56.60000113.3Y352 A353 L354 L379 Y510 F544 R547Y352-V356 HydrophobicContact CD1-CG2 4.42Å; Y352-V356 HydrophobicContact CD2-CG1 4.41Å; Y352-V356 HydrophobicContact CE1-CG1 4.05Å; Y352-V356 HydrophobicContact CE1-CG2 4.08Å; Y352-V356 HydrophobicContact CE2-CG1 3.87Å; Y352-V356 WeakPolarHBondContact O-CG2 3.32Å; Y352-V356 PolarHBondContact O-N 3.48Å; A353-V356 WeakPolarHBondContact O-CG2 3.38Å; A353-V356 PolarHBondContact O-N 3.08Å; L354-V356 PolarHBondContact O-N 2.87Å; V356-L379 HydrophobicContact CG2-CD1 3.59Å; V356-Y510 HydrophobicContact CG1-CD2 3.79Å; V356-Y510 HydrophobicContact CG1-CE2 3.57Å; V356-F544 HydrophobicContact CB-CD2 4.47Å; V356-F544 VanDerWaalsContact O-CD2 3.25Å; V356-F544 WeakPolarHBondContact O-CD2 3.43Å; V356-F544 VanDerWaalsContact O-CE2 3.27Å; V356-F544 WeakPolarHBondContact O-CE2 3.25Å; V356-F544 WeakPolarHBondContact O-CG 3.49Å; V356-F544 WeakPolarHBondContact O-CZ 3.42Å; V356-R547 PolarHBondContact O-NH1 2.95Å
357G95.1Very high93.4Very high11 Ų1150.4 Ų50.411%0.11326%0.261CS..THydrogen-bonded Turntrans96.75.4166.300000117.1A353 L354 S359 F544 R547A353-G357 PolarHBondContact O-N 3.49Å; L354-G357 PolarHBondContact O-N 3.24Å; G357-S359 PolarHBondContact O-N 3.14Å; G357-F544 VanDerWaalsContact CA-CZ 3.41Å; G357-R547 PolarHBondContact O-NH1 3.33Å; G357-R547 PolarHBondContact O-NH2 2.84Å
358M94.6Very high93.4Very high7 Ų745.6 Ų45.63%0.03424%0.235CC..  trans-59.2142171.5-75.2-61.2-172.800110.2A353 S365 F368 L369 L379 R547A353-M358 HydrophobicContact CB-CB 4.16Å; A353-M358 HydrophobicContact CB-CG 4.1Å; A353-M358 VanDerWaalsContact O-CB 3.29Å; A353-M358 WeakPolarHBondContact O-CB 3.4Å; A353-M358 PolarHBondContact O-N 3.47Å; M358-S365 PolarHBondContact SD-OG 3.4Å; M358-F368 HydrophobicContact CE-CD2 3.6Å; M358-F368 HydrophobicContact CE-CE2 3.8Å; M358-F368 HydrophobicContact CE-CG 4.31Å; M358-F368 HydrophobicContact CG-CB 4.5Å; M358-F368 HydrophobicContact SD-CD2 4.37Å; M358-L369 HydrophobicContact CB-CD1 4.22Å; M358-L369 HydrophobicContact CB-CD2 3.97Å; M358-L369 HydrophobicContact CB-CG 4.23Å; M358-L379 HydrophobicContact CE-CD1 4.4Å; M358-L379 HydrophobicContact CE-CD2 3.86Å; M358-L379 HydrophobicContact CG-CD1 4.17Å; M358-R547 HydrophobicContact CE-CG 3.48Å; M358-R547 VanDerWaalsContact CE-CG 3.48Å; M358-R547 HydrophobicContact SD-CG 4.39Å; M358-R547 PolarHBondContact SD-NE 3.28Å
359S92.6Very high93.4Very high42 Ų4243.3 Ų43.329%0.29423%0.225SC..  trans-145.5142.9-174.8-174.50000110.6G357 R361 D362 S365G357-S359 PolarHBondContact O-N 3.14Å; S359-R361 PolarHBondContact O-N 3.36Å; S359-R361 PolarHBondContact OG-N 2.69Å; S359-D362 PolarHBondContact O-N 3.46Å; S359-S365 VanDerWaalsContact O-CB 3.29Å; S359-S365 WeakPolarHBondContact O-CB 3.24Å; S359-S365 PolarHBondContact O-OG 2.92Å
360T90.7Very high93.3Very high108 Ų10849.1 Ų49.166%0.66325%0.247SC*.THydrogen-bonded Turntrans-64.7-6.9173.453.70000113.6D362 L369T360-D362 PolarHBondContact O-N 3.02Å; T360-L369 HydrophobicContact CG2-CD1 3.99Å
361R88.3Confident93.1Very high232 Ų23252.9 Ų52.988%0.87526%0.264SS*.THydrogen-bonded Turntrans-64.9-24.4169.2-63.2-179.6-167.9178.74.9112.6S359S359-R361 PolarHBondContact O-N 3.36Å; S359-R361 PolarHBondContact OG-N 2.69Å
362D86Confident92.7Very high31 Ų3153 Ų5317%0.16628%0.276CS..SBendtrans-103.7112175.7-175.619.7000109.2S359 T360 D364 S365 K551S359-D362 PolarHBondContact O-N 3.46Å; T360-D362 PolarHBondContact O-N 3.02Å; D362-D364 PolarHBondContact O-N 3.3Å; D362-D364 VanDerWaalsContact O-N 3.15Å; D362-S365 VanDerWaalsContact O-CB 3.24Å; D362-S365 WeakPolarHBondContact O-CB 3.31Å; D362-S365 PolarHBondContact O-N 3.34Å; D362-K551 IonicContact OD1-NZ 2.84Å; D362-K551 PolarHBondContact OD1-NZ 3.48Å; D362-K551 IonicContact OD2-NZ 3Å; D362-K551 PolarHBondContact OD2-NZ 2.81Å
363P79.5Confident92.3Very high97 Ų9755.9 Ų55.963%0.6329%0.289SS*.G310 helixtrans-55.8-33.9-177.6-2634.7000113.2S365 L366P363-S365 PolarHBondContact O-N 3.27Å; P363-L366 PolarHBondContact O-N 3.5Å
364D83.6Confident91.9Very high98 Ų9865.2 Ų65.252%0.52433%0.333SS..G310 helixtrans-68.8-12.4179.1-64.3-20.3000113D362D362-D364 PolarHBondContact O-N 3.3Å; D362-D364 VanDerWaalsContact O-N 3.15Å
365S89.6Confident91.5Very high0 Ų066.4 Ų66.40%034%0.34CS..G310 helixtrans-79.1-15.5177-66.50000113.6M358 S359 D362 P363 R367 F368 L369M358-S365 PolarHBondContact SD-OG 3.4Å; S359-S365 VanDerWaalsContact O-CB 3.29Å; S359-S365 WeakPolarHBondContact O-CB 3.24Å; S359-S365 PolarHBondContact O-OG 2.92Å; D362-S365 VanDerWaalsContact O-CB 3.24Å; D362-S365 WeakPolarHBondContact O-CB 3.31Å; D362-S365 PolarHBondContact O-N 3.34Å; P363-S365 PolarHBondContact O-N 3.27Å; S365-R367 PolarHBondContact O-N 3.43Å; S365-R367 VanDerWaalsContact O-N 3.16Å; S365-F368 PolarHBondContact O-N 2.83Å; S365-L369 WeakPolarHBondContact O-CG 3.43Å; S365-L369 PolarHBondContact O-N 2.93Å
366L91.5Very high91.4Very high75 Ų7567.7 Ų67.739%0.39335%0.345SS..Hα-helixtrans-56.9-34.8-178-79.2174.3000112.6P363 F368 L369 Y370P363-L366 PolarHBondContact O-N 3.5Å; L366-F368 PolarHBondContact O-N 3.13Å; L366-L369 PolarHBondContact O-N 3.15Å; L366-Y370 PolarHBondContact O-N 2.91Å
367R93.4Very high91.3Very high45 Ų4569.1 Ų69.117%0.1736%0.355CS..Hα-helixtrans-61.5-14.3176.278.8-178.8-5417811.5114.8S365 F376 S377 N556S365-R367 PolarHBondContact O-N 3.43Å; S365-R367 VanDerWaalsContact O-N 3.16Å; R367-F376 CarbonylContact O-C 3.54Å; R367-F376 VanDerWaalsContact O-CA 3.28Å; R367-F376 WeakPolarHBondContact O-CA 3.42Å; R367-F376 WeakPolarHBondContact O-CD2 3.39Å; R367-S377 PolarHBondContact O-N 3.25Å; R367-N556 PolarHBondContact NH1-O 2.74Å
368F96.7Very high91.4Very high1 Ų168.8 Ų68.80%0.00435%0.351CS..Hα-helixtrans-111.1-10.6176.9-57.5-71.8000113A353 M358 S365 L366 S377 L379 N556 P558A353-F368 HydrophobicContact CB-CB 4.16Å; M358-F368 HydrophobicContact CE-CD2 3.6Å; M358-F368 HydrophobicContact CE-CE2 3.8Å; M358-F368 HydrophobicContact CE-CG 4.31Å; M358-F368 HydrophobicContact CG-CB 4.5Å; M358-F368 HydrophobicContact SD-CD2 4.37Å; S365-F368 PolarHBondContact O-N 2.83Å; L366-F368 PolarHBondContact O-N 3.13Å; F368-S377 VanDerWaalsContact CD1-O 3.28Å; F368-S377 WeakPolarHBondContact CD1-O 3.37Å; F368-L379 HydrophobicContact CD1-CD2 3.68Å; F368-L379 HydrophobicContact CD1-CG 3.84Å; F368-L379 HydrophobicContact CD2-CD2 4.38Å; F368-L379 HydrophobicContact CE1-CD2 3.59Å; F368-L379 HydrophobicContact CE1-CG 4.19Å; F368-L379 HydrophobicContact CE2-CD2 4.27Å; F368-L379 HydrophobicContact CG-CD2 4.09Å; F368-L379 HydrophobicContact CG-CG 4.27Å; F368-L379 HydrophobicContact CZ-CD2 3.89Å; F368-N556 HydrophobicContact CE2-CB 4.08Å; F368-N556 HydrophobicContact CZ-CB 4.43Å; F368-N556 WeakPolarHBondContact CZ-O 3.31Å; F368-P558 HydrophobicContact CE1-CG 3.62Å; F368-P558 HydrophobicContact CZ-CG 3.89Å
369L96.9Very high91.5Very high22 Ų2268.5 Ų68.512%0.11535%0.35CS..Hα-helixtrans-116.7-12.9-170.4-65.1-178.7000113.8I350 A353 L354 M358 T360 S365 L366I350-L369 HydrophobicContact CG2-CD2 4.25Å; A353-L369 HydrophobicContact CB-CD2 4.03Å; L354-L369 HydrophobicContact CD2-CD1 4.38Å; L354-L369 HydrophobicContact CD2-CD2 3.6Å; L354-L369 HydrophobicContact CG-CD2 3.72Å; M358-L369 HydrophobicContact CB-CD1 4.22Å; M358-L369 HydrophobicContact CB-CD2 3.97Å; M358-L369 HydrophobicContact CB-CG 4.23Å; T360-L369 HydrophobicContact CG2-CD1 3.99Å; S365-L369 WeakPolarHBondContact O-CG 3.43Å; S365-L369 PolarHBondContact O-N 2.93Å; L366-L369 PolarHBondContact O-N 3.15Å
370Y95.8Very high91.8Very high124 Ų12466.6 Ų66.649%0.48634%0.336SS..  trans-132113.5-179177.9-133.7000111.3L366 G372 H373 F376L366-Y370 PolarHBondContact O-N 2.91Å; Y370-G372 VanDerWaalsContact CE1-C 3.47Å; Y370-G372 PolarHBondContact O-N 2.64Å; Y370-H373 HydrophobicContact CD1-CB 4.12Å; Y370-H373 WeakPolarHBondContact O-CB 3.48Å; Y370-H373 PolarHBondContact O-N 3.33Å; Y370-F376 WeakPolarHBondContact O-CD2 3.4Å
371E94Very high92.1Very high104 Ų10461.6 Ų61.649%0.48631%0.306SS..THydrogen-bonded Turntrans-64.2-20-178.970.8-71.2169.100114.1I350 F376I350-E371 HydrophobicContact CD1-CB 4.48Å; E371-F376 HydrophobicContact CB-CD1 4.29Å; E371-F376 HydrophobicContact CB-CE1 4.19Å; E371-F376 HydrophobicContact CB-CZ 4.34Å
372G89.6Confident92.6Very high46 Ų4650.7 Ų50.747%0.47426%0.264SS..THydrogen-bonded Turntrans-85.5-2.7173.200000114.6Y370Y370-G372 VanDerWaalsContact CE1-C 3.47Å; Y370-G372 PolarHBondContact O-N 2.64Å
373H90.9Very high93.1Very high63 Ų6349.2 Ų49.229%0.29226%0.256SS..SBendtrans-67.6136.2174.4-171-81.4000110.1Y370 D375 F376Y370-H373 HydrophobicContact CD1-CB 4.12Å; Y370-H373 WeakPolarHBondContact O-CB 3.48Å; Y370-H373 PolarHBondContact O-N 3.33Å; H373-D375 IonicContact CE1-OD2 3.35Å; H373-D375 PolarHBondContact ND1-N 3.13Å; H373-D375 PolarHBondContact O-N 3.35Å; H373-F376 HydrophobicContact CB-CB 4.36Å; H373-F376 VanDerWaalsContact O-CB 3.31Å; H373-F376 WeakPolarHBondContact O-CB 3.3Å; H373-F376 PolarHBondContact O-N 3.43Å
374Q88.8Confident93.8Very high196 Ų19644.6 Ų44.692%0.91623%0.227SC*.THydrogen-bonded Turntrans-57.7-36.7-175.7-68.7-176.4-10.400112.7
375D89.7Confident94.4Very high93 Ų9340.1 Ų40.150%0.49720%0.203SC..THydrogen-bonded Turntrans-101.129.6176-52.3-57.6000113.7H373 S377H373-D375 IonicContact CE1-OD2 3.35Å; H373-D375 PolarHBondContact ND1-N 3.13Å; H373-D375 PolarHBondContact O-N 3.35Å; D375-S377 PolarHBondContact O-N 3.47Å; D375-S377 VanDerWaalsContact O-N 3.16Å; D375-S377 PolarHBondContact O-OG 3.41Å
376F95.8Very high94.5Very high27 Ų2740.1 Ų40.112%0.11820%0.203CC..  trans-53.9124179.8178.5-112.8000110.7C349 I350 R367 Y370 E371 H373 T424C349-F376 HydrophobicContact CB-CZ 4.15Å; I350-F376 HydrophobicContact CD1-CE2 4.2Å; I350-F376 HydrophobicContact CD1-CZ 4.16Å; I350-F376 HydrophobicContact CG1-CE2 3.83Å; I350-F376 HydrophobicContact CG1-CZ 3.89Å; R367-F376 CarbonylContact O-C 3.54Å; R367-F376 VanDerWaalsContact O-CA 3.28Å; R367-F376 WeakPolarHBondContact O-CA 3.42Å; R367-F376 WeakPolarHBondContact O-CD2 3.39Å; Y370-F376 WeakPolarHBondContact O-CD2 3.4Å; E371-F376 HydrophobicContact CB-CD1 4.29Å; E371-F376 HydrophobicContact CB-CE1 4.19Å; E371-F376 HydrophobicContact CB-CZ 4.34Å; H373-F376 HydrophobicContact CB-CB 4.36Å; H373-F376 VanDerWaalsContact O-CB 3.31Å; H373-F376 WeakPolarHBondContact O-CB 3.3Å; H373-F376 PolarHBondContact O-N 3.43Å; F376-T424 HydrophobicContact CD1-CG2 3.63Å; F376-T424 HydrophobicContact CE1-CG2 3.74Å
377S95.1Very high94.4Very high29 Ų2936.6 Ų36.620%0.20318%0.184CC..  trans-139149.4-172.1-590000111.2R367 F368 D375R367-S377 PolarHBondContact O-N 3.25Å; F368-S377 VanDerWaalsContact CD1-O 3.28Å; F368-S377 WeakPolarHBondContact CD1-O 3.37Å; D375-S377 PolarHBondContact O-N 3.47Å; D375-S377 VanDerWaalsContact O-N 3.16Å; D375-S377 PolarHBondContact O-OG 3.41Å
378C96.6Very high94.2Very high4 Ų435 Ų353%0.02718%0.178CC..  trans-81.8141.2170-170.90000110.3C349 F382 L422C349-C378 HydrophobicContact CB-CB 4.3Å; C349-C378 PolarHBondContact SG-SG 2.9Å; C378-F382 WeakPolarHBondContact SG-CB 3.49Å; C378-F382 WeakPolarHBondContact SG-CD1 3.44Å; C378-F382 VanDerWaalsContact SG-CG 3.52Å; C378-L422 HydrophobicContact CB-CB 4.07Å
379L97.8Very high93.3Very high2 Ų236.9 Ų36.91%0.0120%0.195CC..  trans-65.3134.8174.7-80.5175.7000110.3Y352 A353 V356 M358 F368 T381 F382 R547 L550Y352-L379 HydrophobicContact CD1-CB 4.22Å; Y352-L379 HydrophobicContact CD1-CD1 4.37Å; Y352-L379 HydrophobicContact CE1-CB 4.01Å; Y352-L379 HydrophobicContact CE1-CD1 4.28Å; A353-L379 HydrophobicContact CB-CD1 3.86Å; A353-L379 HydrophobicContact CB-CG 4.44Å; V356-L379 HydrophobicContact CG2-CD1 3.59Å; M358-L379 HydrophobicContact CE-CD1 4.4Å; M358-L379 HydrophobicContact CE-CD2 3.86Å; M358-L379 HydrophobicContact CG-CD1 4.17Å; F368-L379 HydrophobicContact CD1-CD2 3.68Å; F368-L379 HydrophobicContact CD1-CG 3.84Å; F368-L379 HydrophobicContact CD2-CD2 4.38Å; F368-L379 HydrophobicContact CE1-CD2 3.59Å; F368-L379 HydrophobicContact CE1-CG 4.19Å; F368-L379 HydrophobicContact CE2-CD2 4.27Å; F368-L379 HydrophobicContact CG-CD2 4.09Å; F368-L379 HydrophobicContact CG-CG 4.27Å; F368-L379 HydrophobicContact CZ-CD2 3.89Å; L379-T381 PolarHBondContact O-N 2.92Å; L379-T381 VanDerWaalsContact O-N 3.11Å; L379-F382 WeakPolarHBondContact O-CB 3.38Å; L379-F382 PolarHBondContact O-N 2.85Å; L379-R547 HydrophobicContact CD1-CG 4.25Å; L379-R547 HydrophobicContact CD2-CG 4.29Å; L379-L550 HydrophobicContact CD2-CD1 4.43Å
380P97.6Very high92.5Very high2 Ų236.1 Ų36.11%0.01319%0.191CC..G310 helixtrans-52.5-39.1-177.6-32.938.5000114.7F382 G383 L416 L418 L422 L550 P558 F561P380-F382 PolarHBondContact O-N 3.49Å; P380-G383 PolarHBondContact O-N 3.09Å; P380-G383 VanDerWaalsContact O-N 3.12Å; P380-L416 WeakPolarHBondContact O-CD2 3.39Å; P380-L418 HydrophobicContact CB-CD1 3.6Å; P380-L418 HydrophobicContact CG-CD1 4.4Å; P380-L422 WeakPolarHBondContact O-CD1 3.46Å; P380-L550 HydrophobicContact CG-CD1 3.98Å; P380-P558 HydrophobicContact CG-CB 3.89Å; P380-F561 HydrophobicContact CB-CB 3.86Å; P380-F561 HydrophobicContact CB-CD1 3.41Å; P380-F561 VanDerWaalsContact CB-CD1 3.41Å; P380-F561 HydrophobicContact CB-CD2 3.88Å; P380-F561 HydrophobicContact CB-CE1 3.77Å; P380-F561 HydrophobicContact CB-CE2 4.2Å; P380-F561 HydrophobicContact CB-CG 3.44Å; P380-F561 VanDerWaalsContact CB-CG 3.44Å; P380-F561 HydrophobicContact CB-CZ 4.12Å; P380-F561 HydrophobicContact CG-CB 3.61Å; P380-F561 HydrophobicContact CG-CD1 4.16Å; P380-F561 HydrophobicContact CG-CD2 4.16Å; P380-F561 HydrophobicContact CG-CG 3.73Å
381T97.9Very high91.5Very high3 Ų330.2 Ų30.22%0.01817%0.168CC..G310 helixtrans-70.9-11-178.451.90000114.4Y352 L379 G383 V384 F542 A546 F561Y352-T381 WeakPolarHBondContact OH-CB 3.37Å; Y352-T381 PolarHBondContact OH-O 2.81Å; Y352-T381 PolarHBondContact OH-OG1 3.16Å; L379-T381 PolarHBondContact O-N 2.92Å; L379-T381 VanDerWaalsContact O-N 3.11Å; T381-G383 PolarHBondContact O-N 3.24Å; T381-V384 PolarHBondContact O-N 3.3Å; T381-F542 HydrophobicContact CG2-CD1 4Å; T381-F542 HydrophobicContact CG2-CE1 3.42Å; T381-F542 VanDerWaalsContact CG2-CE1 3.42Å; T381-F542 HydrophobicContact CG2-CZ 3.95Å; T381-A546 HydrophobicContact CG2-CB 3.34Å; T381-F561 HydrophobicContact CG2-CZ 4.46Å
382F97.6Very high90.4Very high2 Ų228.7 Ų28.71%0.00916%0.162CC..G310 helixtrans-58.2-24.6167.8-178-104.3000111.8F342 F344 Q348 Y352 C378 L379 P380 V384 I385 P386 L422F342-F382 HydrophobicContact CE1-CE1 4.28Å; F342-F382 AromaticContact CE1-CZ 3.79Å; F342-F382 HydrophobicContact CE1-CZ 3.79Å; F342-F382 HydrophobicContact CZ-CZ 4.33Å; F344-F382 HydrophobicContact CB-CZ 4.41Å; F344-F382 AromaticContact CD2-CE1 3.76Å; F344-F382 HydrophobicContact CD2-CE1 3.76Å; F344-F382 AromaticContact CD2-CZ 3.96Å; F344-F382 HydrophobicContact CD2-CZ 3.96Å; F344-F382 AromaticContact CE2-CE1 3.84Å; F344-F382 HydrophobicContact CE2-CE1 3.84Å; F344-F382 HydrophobicContact CE2-CZ 4.47Å; F344-F382 HydrophobicContact CG-CE1 4.1Å; F344-F382 HydrophobicContact CG-CZ 4.19Å; F344-F382 HydrophobicContact CZ-CE1 4.26Å; Q348-F382 HydrophobicContact CB-CE2 4.22Å; Q348-F382 HydrophobicContact CB-CZ 4.04Å; Y352-F382 HydrophobicContact CD1-CB 3.84Å; Y352-F382 AromaticContact CD1-CD2 3.98Å; Y352-F382 HydrophobicContact CD1-CD2 3.98Å; Y352-F382 HydrophobicContact CD1-CG 4.42Å; Y352-F382 AromaticContact CD2-CD2 3.99Å; Y352-F382 HydrophobicContact CD2-CD2 3.99Å; Y352-F382 HydrophobicContact CE1-CB 3.98Å; Y352-F382 HydrophobicContact CG-CB 4.28Å; Y352-F382 AromaticContact CG-CD2 3.57Å; Y352-F382 HydrophobicContact CG-CD2 3.57Å; Y352-F382 HydrophobicContact CG-CE2 4.43Å; Y352-F382 HydrophobicContact CG-CG 4.42Å; C378-F382 WeakPolarHBondContact SG-CB 3.49Å; C378-F382 WeakPolarHBondContact SG-CD1 3.44Å; C378-F382 VanDerWaalsContact SG-CG 3.52Å; L379-F382 WeakPolarHBondContact O-CB 3.38Å; L379-F382 PolarHBondContact O-N 2.85Å; P380-F382 PolarHBondContact O-N 3.49Å; F382-V384 PolarHBondContact O-N 2.97Å; F382-I385 HydrophobicContact CD2-CB 4.3Å; F382-I385 HydrophobicContact CD2-CG1 3.95Å; F382-I385 HydrophobicContact CE2-CB 4.27Å; F382-I385 HydrophobicContact CE2-CG1 4.24Å; F382-I385 HydrophobicContact CE2-CG2 4.37Å; F382-I385 WeakPolarHBondContact O-CB 3.34Å; F382-I385 PolarHBondContact O-N 2.99Å; F382-P386 VanDerWaalsContact O-CD 3.25Å; F382-P386 WeakPolarHBondContact O-CD 3.49Å; F382-L422 HydrophobicContact CB-CD1 3.99Å; F382-L422 HydrophobicContact CD1-CD1 4.25Å
383G96.3Very high89.2Confident0 Ų029.6 Ų29.60%017%0.172CC..G310 helixtrans-59.4-13.3177.400000114.7P380 T381 L422 N462P380-G383 PolarHBondContact O-N 3.09Å; P380-G383 VanDerWaalsContact O-N 3.12Å; T381-G383 PolarHBondContact O-N 3.24Å; G383-L422 VanDerWaalsContact N-CD1 3.29Å; G383-N462 PolarHBondContact O-ND2 2.96Å
384V95.8Very high87.7Confident1 Ų128.4 Ų28.41%0.00618%0.176CC..Hα-helixtrans-75.1-32.5170.6-178.20000111.8T381 F382 S387 Q388 Q414 L416 F464 L539 F542T381-V384 PolarHBondContact O-N 3.3Å; F382-V384 PolarHBondContact O-N 2.97Å; V384-S387 PolarHBondContact O-N 3.21Å; V384-Q388 HydrophobicContact CG1-CB 4.48Å; V384-Q388 WeakPolarHBondContact O-CB 3.3Å; V384-Q388 PolarHBondContact O-N 3.16Å; V384-Q414 HydrophobicContact CG2-CG 4.3Å; V384-L416 HydrophobicContact CG2-CB 4.26Å; V384-L416 HydrophobicContact CG2-CD2 4.09Å; V384-F464 HydrophobicContact CG1-CE1 3.84Å; V384-F464 HydrophobicContact CG1-CZ 3.91Å; V384-L539 HydrophobicContact CG1-CD1 3.66Å; V384-L539 HydrophobicContact CG1-CD2 3.84Å; V384-L539 HydrophobicContact CG1-CG 4.4Å; V384-L539 HydrophobicContact CG2-CD2 4.47Å; V384-F542 HydrophobicContact CG2-CE1 3.76Å; V384-F542 HydrophobicContact CG2-CZ 4.07Å
385I94.8Very high86.5Confident4 Ų419.5 Ų19.52%0.02114%0.137CC..Hα-helixtrans-61.2-50.5-170.9-60.7-59.8000112.6F342 Y352 F382 S387 Q388 A389 S513F342-I385 HydrophobicContact CE1-CG2 4.33Å; F342-I385 HydrophobicContact CE2-CG2 4.03Å; F342-I385 HydrophobicContact CZ-CG2 3.72Å; Y352-I385 HydrophobicContact CD2-CD1 4.11Å; Y352-I385 HydrophobicContact CD2-CG1 3.88Å; Y352-I385 HydrophobicContact CE2-CD1 4.03Å; Y352-I385 HydrophobicContact CE2-CG1 3.95Å; F382-I385 HydrophobicContact CD2-CB 4.3Å; F382-I385 HydrophobicContact CD2-CG1 3.95Å; F382-I385 HydrophobicContact CE2-CB 4.27Å; F382-I385 HydrophobicContact CE2-CG1 4.24Å; F382-I385 HydrophobicContact CE2-CG2 4.37Å; F382-I385 WeakPolarHBondContact O-CB 3.34Å; F382-I385 PolarHBondContact O-N 2.99Å; I385-S387 VanDerWaalsContact C-N 3.31Å; I385-S387 PolarHBondContact O-N 3.43Å; I385-Q388 PolarHBondContact O-N 2.89Å; I385-A389 PolarHBondContact O-N 3.31Å; I385-A389 VanDerWaalsContact O-N 3.15Å; I385-S513 WeakPolarHBondContact CG2-O 3.41Å
386P92.1Very high85.6Confident0 Ų015.3 Ų15.30%012%0.115CC..Hα-helixtrans-59.7-41.1177.2-23.133.8000112.7F342 F382 A390 L428 S430 T452F342-P386 HydrophobicContact CB-CB 3.99Å; F342-P386 HydrophobicContact CD1-CB 4.19Å; F342-P386 HydrophobicContact CD1-CG 3.86Å; F342-P386 HydrophobicContact CE1-CG 4.35Å; F342-P386 HydrophobicContact CG-CB 4.17Å; F342-P386 HydrophobicContact CG-CG 4.33Å; F382-P386 VanDerWaalsContact O-CD 3.25Å; F382-P386 WeakPolarHBondContact O-CD 3.49Å; P386-A390 PolarHBondContact O-N 3.4Å; P386-L428 HydrophobicContact CB-CB 4.43Å; P386-L428 HydrophobicContact CB-CD1 4.45Å; P386-L428 HydrophobicContact CG-CD1 3.8Å; P386-S430 PolarHBondContact O-OG 2.84Å; P386-T452 HydrophobicContact CB-CG2 4.17Å
387S90.3Very high84.2Confident0 Ų017.8 Ų17.80%014%0.135CC..Hα-helixtrans-72.6-33.4179.7-490000112.3V384 I385 A389 A390 T391 T452 N462V384-S387 PolarHBondContact O-N 3.21Å; I385-S387 VanDerWaalsContact C-N 3.31Å; I385-S387 PolarHBondContact O-N 3.43Å; S387-A389 VanDerWaalsContact C-N 3.34Å; S387-A390 PolarHBondContact O-N 2.88Å; S387-T391 VanDerWaalsContact O-CB 3.32Å; S387-T391 WeakPolarHBondContact O-CB 3.29Å; S387-T391 PolarHBondContact O-N 3.37Å; S387-T391 PolarHBondContact O-OG1 2.74Å; S387-T452 PolarHBondContact OG-OG1 2.99Å; S387-N462 PolarHBondContact OG-ND2 3.34Å
388Q87.9Confident82.8Confident11 Ų1119.6 Ų19.65%0.05115%0.148CC..Hα-helixtrans-62.9-42.2175.9-174.1179.824.800110.7V384 I385 A390 T391 M392 F464 D515V384-Q388 HydrophobicContact CG1-CB 4.48Å; V384-Q388 WeakPolarHBondContact O-CB 3.3Å; V384-Q388 PolarHBondContact O-N 3.16Å; I385-Q388 PolarHBondContact O-N 2.89Å; Q388-A390 VanDerWaalsContact C-N 3.3Å; Q388-A390 PolarHBondContact O-N 3.2Å; Q388-T391 PolarHBondContact O-N 2.76Å; Q388-M392 HydrophobicContact CG-CB 4.41Å; Q388-M392 HydrophobicContact CG-CG 4.37Å; Q388-M392 PolarHBondContact O-N 2.84Å; Q388-F464 HydrophobicContact CB-CE1 4.33Å; Q388-F464 HydrophobicContact CB-CZ 4.35Å; Q388-D515 PolarHBondContact NE2-OD2 3.35Å
389A79.1Confident81.7Confident42 Ų4219.8 Ų19.835%0.34715%0.149SC..Hα-helixtrans-59.2-41174.900000112.1I385 S387 G393I385-A389 PolarHBondContact O-N 3.31Å; I385-A389 VanDerWaalsContact O-N 3.15Å; S387-A389 VanDerWaalsContact C-N 3.34Å; A389-G393 WeakPolarHBondContact O-CA 3.45Å; A389-G393 PolarHBondContact O-N 3.06Å
390A78.7Confident80.4Confident5 Ų522.9 Ų22.94%0.04117%0.169CC..Hα-helixtrans-69.5-35.1176.400000113.4P386 S387 Q388P386-A390 PolarHBondContact O-N 3.4Å; S387-A390 PolarHBondContact O-N 2.88Å; Q388-A390 VanDerWaalsContact C-N 3.3Å; Q388-A390 PolarHBondContact O-N 3.2Å
391T75.8Confident78.9Confident1 Ų123.5 Ų23.51%0.00618%0.176CC..Hα-helixtrans-88.3-46.4-170.8-53.30000112.2S387 Q388 T432 L448 F464S387-T391 VanDerWaalsContact O-CB 3.32Å; S387-T391 WeakPolarHBondContact O-CB 3.29Å; S387-T391 PolarHBondContact O-N 3.37Å; S387-T391 PolarHBondContact O-OG1 2.74Å; Q388-T391 PolarHBondContact O-N 2.76Å; T391-T432 HydrophobicContact CG2-CG2 4.21Å; T391-T432 PolarHBondContact OG1-OG1 2.72Å; T391-L448 HydrophobicContact CG2-CB 3.99Å; T391-L448 HydrophobicContact CG2-CD1 3.29Å; T391-L448 HydrophobicContact CG2-CG 4.14Å; T391-F464 HydrophobicContact CG2-CD2 4.15Å; T391-F464 HydrophobicContact CG2-CG 4.26Å
392M71.4Confident77.8Confident71 Ų7124 Ų2435%0.3518%0.179SC..Hα-helixtrans-106.9-5.5-171.1-54.8-151.583.500113.6Q388 G394 V409 V466Q388-M392 HydrophobicContact CG-CB 4.41Å; Q388-M392 HydrophobicContact CG-CG 4.37Å; Q388-M392 PolarHBondContact O-N 2.84Å; M392-G394 PolarHBondContact O-N 3.2Å; M392-V409 HydrophobicContact CE-CG1 3.92Å; M392-V466 HydrophobicContact CE-CG2 4.4Å
393G62.8Low76.3Confident66 Ų6628.1 Ų28.168%0.6821%0.208SC*.THydrogen-bonded Turntrans-76.831.1174.900000115A389A389-G393 WeakPolarHBondContact O-CA 3.45Å; A389-G393 PolarHBondContact O-N 3.06Å
394G60.8Low75Confident37 Ų3729.1 Ų29.138%0.38121%0.213SC..THydrogen-bonded Turntrans93.9-0.5-179.600000115.8M392 L396 S397M392-G394 PolarHBondContact O-N 3.2Å; G394-L396 VanDerWaalsContact C-N 3.29Å; G394-L396 PolarHBondContact O-N 2.89Å; G394-S397 PolarHBondContact O-OG 3.27Å
395G62.9Low73.6Confident10 Ų1033.2 Ų33.210%0.10324%0.235CC..G310 helixtrans-65.3-31.4176.700000113.2L337 S397 S398L337-G395 VanDerWaalsContact CD2-C 3.5Å; G395-S397 VanDerWaalsContact C-N 3.33Å; G395-S397 PolarHBondContact O-N 3.18Å; G395-S398 PolarHBondContact O-N 2.87Å; G395-S398 PolarHBondContact O-OG 2.78Å
396L70.5Confident72.3Confident5 Ų537.9 Ų37.93%0.02626%0.255CS..G310 helixtrans-66.4-29.7-177.7-14773.3000113.8L337 G394 S398 V399 I404 F406 I446 L448L337-L396 HydrophobicContact CD2-CD1 4.41Å; G394-L396 VanDerWaalsContact C-N 3.29Å; G394-L396 PolarHBondContact O-N 2.89Å; L396-S398 PolarHBondContact O-N 2.98Å; L396-V399 PolarHBondContact O-N 3.18Å; L396-I404 HydrophobicContact CD2-CD1 3.55Å; L396-I404 HydrophobicContact CG-CD1 3.91Å; L396-F406 HydrophobicContact CB-CE1 4.26Å; L396-F406 HydrophobicContact CB-CZ 4.31Å; L396-I446 HydrophobicContact CD2-CD1 4.27Å; L396-L448 HydrophobicContact CD1-CD1 3.45Å; L396-L448 VanDerWaalsContact CD1-CD1 3.45Å; L396-L448 HydrophobicContact CD1-CD2 3.58Å; L396-L448 HydrophobicContact CD1-CG 4.13Å
397S66.7Low71Confident78 Ų7841.8 Ų41.855%0.54528%0.279SS..G310 helixtrans-74.8-15.217856.70000113G394 G395 V399G394-S397 PolarHBondContact O-OG 3.27Å; G395-S397 VanDerWaalsContact C-N 3.33Å; G395-S397 PolarHBondContact O-N 3.18Å; S397-V399 VanDerWaalsContact C-N 3.34Å
398S65.9Low70Confident67 Ų6745.7 Ų45.747%0.46930%0.297SS..G310 helixtrans-85.1-7177.673.50000113.6G395 L396 P400G395-S398 PolarHBondContact O-N 2.87Å; G395-S398 PolarHBondContact O-OG 2.78Å; L396-S398 PolarHBondContact O-N 2.98Å; S398-P400 WeakPolarHBondContact O-CD 3.35Å
399V73.8Confident69.6Low8 Ų846.4 Ų46.45%0.04830%0.302CS..SBendtrans-81.5118.5-175.6179.40000110.5A332 Q335 L337 L396 S397 L402 V434A332-V399 HydrophobicContact CB-CG1 3.82Å; Q335-V399 HydrophobicContact CB-CG1 4.06Å; Q335-V399 HydrophobicContact CG-CG1 4.26Å; L337-V399 HydrophobicContact CD1-CG2 3.64Å; L337-V399 HydrophobicContact CG-CG2 4.13Å; L396-V399 PolarHBondContact O-N 3.18Å; S397-V399 VanDerWaalsContact C-N 3.34Å; V399-L402 HydrophobicContact CB-CB 4.49Å; V399-L402 HydrophobicContact CB-CD1 3.94Å; V399-L402 HydrophobicContact CB-CG 4.4Å; V399-L402 HydrophobicContact CG1-CD1 3.66Å; V399-L402 HydrophobicContact CG1-CG 3.99Å; V399-L402 PolarHBondContact O-N 3.25Å; V399-V434 HydrophobicContact CG1-CG2 4.03Å; V399-V434 HydrophobicContact CG2-CG2 4.11Å
400P69.7Low69.8Low68 Ų6848.2 Ų48.244%0.44231%0.306SS..THydrogen-bonded Turntrans-58.4139.9174.9-22.734000111.9A332 S398 L402A332-P400 WeakPolarHBondContact CA-O 3.31Å; A332-P400 PolarHBondContact N-O 3.47Å; S398-P400 WeakPolarHBondContact O-CD 3.35Å; P400-L402 VanDerWaalsContact C-N 3.32Å; P400-L402 PolarHBondContact O-N 3.15Å
401G67.1Low70.3Confident15 Ų1550 Ų5016%0.15531%0.313CS..THydrogen-bonded Turntrans83.2-1.9178.300000115.4F327 N328F327-G401 CarbonylContact C-O 3.53Å; F327-G401 WeakPolarHBondContact CA-O 3.44Å; N328-G401 CarbonylContact C-O 3.48Å; N328-G401 PolarHBondContact N-O 3.37Å
402L73.9Confident71Confident13 Ų1350.9 Ų50.97%0.06832%0.322CS..  trans-110.490.8173.3-64.7-178.4000111.1F327 A332 V399 P400 I404 V437 I446F327-L402 HydrophobicContact CD2-CD2 4.33Å; F327-L402 HydrophobicContact CE2-CD2 3.53Å; F327-L402 HydrophobicContact CZ-CD2 3.75Å; A332-L402 HydrophobicContact CB-CD1 3.98Å; A332-L402 HydrophobicContact CB-CD2 3.79Å; A332-L402 HydrophobicContact CB-CG 3.55Å; V399-L402 HydrophobicContact CB-CB 4.49Å; V399-L402 HydrophobicContact CB-CD1 3.94Å; V399-L402 HydrophobicContact CB-CG 4.4Å; V399-L402 HydrophobicContact CG1-CD1 3.66Å; V399-L402 HydrophobicContact CG1-CG 3.99Å; V399-L402 PolarHBondContact O-N 3.25Å; P400-L402 VanDerWaalsContact C-N 3.32Å; P400-L402 PolarHBondContact O-N 3.15Å; L402-I404 HydrophobicContact CB-CD1 3.88Å; L402-I404 HydrophobicContact CB-CG1 4.04Å; L402-I404 HydrophobicContact CD1-CD1 4.2Å; L402-I404 HydrophobicContact CG-CD1 4.5Å; L402-I404 PolarHBondContact O-N 2.9Å; L402-V437 HydrophobicContact CD2-CG2 4.27Å; L402-I446 HydrophobicContact CD1-CD1 4.05Å; L402-I446 HydrophobicContact CD1-CG2 4.36Å; L402-I446 HydrophobicContact CD2-CD1 4.26Å; L402-I446 HydrophobicContact CD2-CG1 4.46Å
403S66.6Low72.2Confident89 Ų8948.7 Ų48.762%0.62231%0.311SS*.  trans-82.4100.1165.1-170.10000109.4
404I69.1Low73.8Confident20 Ų2045.6 Ų45.610%0.10328%0.279CS..  trans-117124.7-173.7-59.9171.3000109.8L396 L402 V409 I446 V468L396-I404 HydrophobicContact CD2-CD1 3.55Å; L396-I404 HydrophobicContact CG-CD1 3.91Å; L402-I404 HydrophobicContact CB-CD1 3.88Å; L402-I404 HydrophobicContact CB-CG1 4.04Å; L402-I404 HydrophobicContact CD1-CD1 4.2Å; L402-I404 HydrophobicContact CG-CD1 4.5Å; L402-I404 PolarHBondContact O-N 2.9Å; I404-V409 HydrophobicContact CG2-CG2 3.47Å; I404-V409 VanDerWaalsContact CG2-CG2 3.47Å; I404-I446 HydrophobicContact CD1-CD1 3.31Å; I404-I446 HydrophobicContact CG1-CD1 4.22Å; I404-V468 HydrophobicContact CD1-CG2 4.33Å; I404-V468 HydrophobicContact CG1-CG2 4.29Å; I404-V468 HydrophobicContact CG2-CG1 3.82Å; I404-V468 HydrophobicContact CG2-CG2 3.88Å
405D66.4Low75.6Confident88 Ų8844.3 Ų44.347%0.47126%0.263SS..  trans-80.6112.7163.3178.8-6.3000109.4T407 Q408D405-T407 PolarHBondContact O-N 2.83Å; D405-T407 WeakPolarHBondContact OD1-CB 3.06Å; D405-T407 PolarHBondContact OD1-N 3Å; D405-T407 PolarHBondContact OD1-OG1 2.8Å; D405-T407 PolarHBondContact OD2-OG1 2.81Å; D405-T407 VanDerWaalsContact OD2-OG1 3.12Å; D405-Q408 HydrophobicContact CB-CB 4.45Å; D405-Q408 HydrophobicContact CB-CG 4.37Å; D405-Q408 PolarHBondContact O-N 3.2Å; D405-Q408 VanDerWaalsContact O-N 3.09Å
406F66.1Low77.3Confident101 Ų10143.9 Ų43.944%0.44326%0.258SS..G310 helixtrans-68.7-18.2-177.3-72.4-85.4000114.1L396 Q408 V409L396-F406 HydrophobicContact CB-CE1 4.26Å; L396-F406 HydrophobicContact CB-CZ 4.31Å; F406-Q408 PolarHBondContact O-N 3.44Å; F406-V409 HydrophobicContact CD1-CG2 4.27Å; F406-V409 PolarHBondContact O-N 3.39Å
407T64.6Low78.6Confident83 Ų8345 Ų4551%0.50926%0.263SS..G310 helixtrans-70.4-17.5172.669.90000112.3D405D405-T407 PolarHBondContact O-N 2.83Å; D405-T407 WeakPolarHBondContact OD1-CB 3.06Å; D405-T407 PolarHBondContact OD1-N 3Å; D405-T407 PolarHBondContact OD1-OG1 2.8Å; D405-T407 PolarHBondContact OD2-OG1 2.81Å; D405-T407 VanDerWaalsContact OD2-OG1 3.12Å
408Q70.4Confident80.1Confident81 Ų8141.5 Ų41.538%0.37924%0.238SC..G310 helixtrans-10714.2-177.9-63.8-57.3-31.900113D405 F406 V469D405-Q408 HydrophobicContact CB-CB 4.45Å; D405-Q408 HydrophobicContact CB-CG 4.37Å; D405-Q408 PolarHBondContact O-N 3.2Å; D405-Q408 VanDerWaalsContact O-N 3.09Å; F406-Q408 PolarHBondContact O-N 3.44Å; Q408-V469 HydrophobicContact CB-CB 4.04Å; Q408-V469 PolarHBondContact O-N 3.16Å
409V79.5Confident81.4Confident26 Ų2643.4 Ų43.416%0.15824%0.236CC..EExtended strand (participates in β ladder)trans-91.9119.5-178.8169.10000110.6M392 I404 F406 V466 V468M392-V409 HydrophobicContact CE-CG1 3.92Å; I404-V409 HydrophobicContact CG2-CG2 3.47Å; I404-V409 VanDerWaalsContact CG2-CG2 3.47Å; F406-V409 HydrophobicContact CD1-CG2 4.27Å; F406-V409 PolarHBondContact O-N 3.39Å; V409-V466 HydrophobicContact CG1-CG1 3.44Å; V409-V466 VanDerWaalsContact CG1-CG1 3.44Å; V409-V468 HydrophobicContact CG2-CG2 4.27Å
410L83.4Confident82Confident81 Ų8148.2 Ų48.242%0.42426%0.256SS..EExtended strand (participates in β ladder)trans-114.8131.7174.1-61.8176.4000110.1G412 F467 V469L410-G412 PolarHBondContact O-N 3.41Å; L410-F467 HydrophobicContact CB-CB 4.39Å; L410-F467 HydrophobicContact CD1-CD1 4.47Å; L410-F467 PolarHBondContact N-O 3.07Å; L410-F467 PolarHBondContact O-N 3.37Å; L410-V469 HydrophobicContact CD1-CG2 4.31Å
411H89.3Confident83Confident43 Ų4348.7 Ų48.720%0.19926%0.259CS..EExtended strand (participates in β ladder)trans-76.4108.1169.7-166.2170.7000108.6E413 Q414 F464 F568H411-E413 PolarHBondContact NE2-O 3.22Å; H411-Q414 PolarHBondContact CE1-OE1 2.93Å; H411-Q414 PolarHBondContact NE2-OE1 2.97Å; H411-F464 AromaticContact CE1-CD1 3.59Å; H411-F464 AromaticContact NE2-CD1 3.69Å; H411-F568 AromaticContact CD2-CE2 3.8Å; H411-F568 AromaticContact CG-CE2 3.98Å; H411-F568 AromaticContact NE2-CE2 3.84Å; H411-F568 VanDerWaalsContact O-CD2 3.26Å; H411-F568 WeakPolarHBondContact O-CD2 3.11Å
412G90.6Very high84.2Confident18 Ų1848.6 Ų48.619%0.18626%0.255CS..EExtended strand (participates in β ladder)trans-91.3-45.1-171.800000114.4L410 S465 F568L410-G412 PolarHBondContact O-N 3.41Å; G412-S465 WeakPolarHBondContact CA-O 3.06Å; G412-S465 PolarHBondContact N-O 2.97Å; G412-F568 PolarHBondContact O-N 2.95Å
413E95.5Very high85.2Confident26 Ų2649.6 Ų49.612%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-144.6148.1-179.8-48.5-175173.600111.5H411 S465 K565 V566 R567H411-E413 PolarHBondContact NE2-O 3.22Å; E413-S465 PolarHBondContact N-O 3.42Å; E413-S465 WeakPolarHBondContact O-CB 3.5Å; E413-S465 PolarHBondContact O-N 2.88Å; E413-K565 VanDerWaalsContact OE2-CE 3.26Å; E413-K565 WeakPolarHBondContact OE2-CE 3.37Å; E413-K565 IonicContact OE2-NZ 3.18Å; E413-K565 PolarHBondContact OE2-NZ 3.03Å; E413-V566 WeakPolarHBondContact CA-O 3.38Å; E413-V566 WeakPolarHBondContact CB-O 3.17Å; E413-R567 HydrophobicContact CG-CB 3.98Å; E413-R567 HydrophobicContact CG-CG 3.99Å; E413-R567 IonicContact OE1-CZ 2.79Å; E413-R567 IonicContact OE1-NE 2.72Å; E413-R567 PolarHBondContact OE1-NE 3.32Å; E413-R567 IonicContact OE1-NH2 2.79Å; E413-R567 PolarHBondContact OE1-NH2 3.37Å
414Q97.6Very high86.6Confident0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-126.5134.3175.3-179.368.652.700109.9V384 H411 N462 L539 F542 K565 V566 F568V384-Q414 HydrophobicContact CG2-CG 4.3Å; H411-Q414 PolarHBondContact CE1-OE1 2.93Å; H411-Q414 PolarHBondContact NE2-OE1 2.97Å; Q414-N462 PolarHBondContact NE2-OD1 3.08Å; Q414-L539 HydrophobicContact CB-CD2 4.17Å; Q414-L539 HydrophobicContact CG-CD2 3.84Å; Q414-F542 HydrophobicContact CB-CE2 4.47Å; Q414-F542 HydrophobicContact CG-CE2 4.05Å; Q414-F542 HydrophobicContact CG-CZ 4.1Å; Q414-K565 WeakPolarHBondContact O-CA 3.34Å; Q414-V566 HydrophobicContact CB-CG2 4.25Å; Q414-V566 PolarHBondContact N-O 2.92Å; Q414-V566 PolarHBondContact O-N 3.01Å; Q414-F568 HydrophobicContact CB-CE2 3.91Å; Q414-F568 HydrophobicContact CB-CZ 3.89Å
415Y98.4Very high87.9Confident11 Ų1150 Ų504%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-120.1139.6160.9179.8-100.6000109.8E417 Y461 N462 Q463 K484 A563 I564 K565Y415-E417 HydrophobicContact CE1-CB 3.61Å; Y415-E417 PolarHBondContact OH-OE2 2.82Å; Y415-Y461 AromaticContact CD1-CD1 3.91Å; Y415-Y461 HydrophobicContact CD1-CD1 3.91Å; Y415-Y461 AromaticContact CD1-CE1 3.7Å; Y415-Y461 HydrophobicContact CD1-CE1 3.7Å; Y415-Y461 AromaticContact CE1-CD1 3.76Å; Y415-Y461 HydrophobicContact CE1-CD1 3.76Å; Y415-Y461 AromaticContact CE1-CE1 3.78Å; Y415-Y461 HydrophobicContact CE1-CE1 3.78Å; Y415-N462 CarbonylContact O-C 3.59Å; Y415-N462 WeakPolarHBondContact O-CA 3.12Å; Y415-Q463 PolarHBondContact N-O 2.85Å; Y415-Q463 PolarHBondContact O-N 2.7Å; Y415-K484 HydrophobicContact CD1-CD 4.48Å; Y415-K484 HydrophobicContact CD1-CG 3.81Å; Y415-K484 HydrophobicContact CD2-CB 3.97Å; Y415-K484 HydrophobicContact CD2-CG 4.03Å; Y415-K484 HydrophobicContact CE1-CD 4.27Å; Y415-K484 HydrophobicContact CE1-CG 4.1Å; Y415-K484 HydrophobicContact CE2-CB 4.49Å; Y415-K484 HydrophobicContact CE2-CD 4.45Å; Y415-K484 HydrophobicContact CE2-CG 4.31Å; Y415-K484 HydrophobicContact CG-CB 3.97Å; Y415-K484 HydrophobicContact CG-CG 3.76Å; Y415-A563 HydrophobicContact CE2-CB 4.06Å; Y415-I564 CarbonylContact C-O 3.58Å; Y415-I564 VanDerWaalsContact CA-O 3.3Å; Y415-I564 WeakPolarHBondContact CA-O 3.4Å; Y415-I564 WeakPolarHBondContact CD2-O 3.44Å; Y415-K565 HydrophobicContact CD2-CB 4.01Å; Y415-K565 HydrophobicContact CD2-CD 4.2Å
416L98.4Very high89.2Confident0 Ų047.1 Ų47.10%026%0.256CS..EExtended strand (participates in β ladder)trans-134.8134.6171.4165.270.7000108.1P380 V384 L418 C460 Y461 N462 F542 F561 A563 I564P380-L416 WeakPolarHBondContact O-CD2 3.39Å; V384-L416 HydrophobicContact CG2-CB 4.26Å; V384-L416 HydrophobicContact CG2-CD2 4.09Å; L416-L418 HydrophobicContact CD1-CD2 4.04Å; L416-C460 HydrophobicContact CD1-CB 4.01Å; L416-Y461 CarbonylContact C-O 3.48Å; L416-Y461 WeakPolarHBondContact CA-O 3.26Å; L416-N462 VanDerWaalsContact CD1-OD1 3.27Å; L416-N462 WeakPolarHBondContact CD1-OD1 3.38Å; L416-F542 HydrophobicContact CB-CZ 4.3Å; L416-F542 HydrophobicContact CD2-CZ 4.47Å; L416-F561 HydrophobicContact CD2-CE1 4.29Å; L416-F561 HydrophobicContact CD2-CZ 4.48Å; L416-A563 CarbonylContact O-C 3.5Å; L416-A563 WeakPolarHBondContact O-CA 3.48Å; L416-A563 WeakPolarHBondContact O-CB 3.35Å; L416-I564 HydrophobicContact CB-CG2 3.86Å; L416-I564 HydrophobicContact CD2-CG2 4.34Å; L416-I564 HydrophobicContact CG-CG2 4.49Å; L416-I564 PolarHBondContact N-O 3.39Å; L416-I564 PolarHBondContact O-N 2.85Å
417E98.3Very high90.6Very high28 Ų2845.3 Ų45.313%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-129.1128.8170.6-178.4164.7-168.500109.3Y415 Y419 C460 Y461 K562 A563Y415-E417 HydrophobicContact CE1-CB 3.61Å; Y415-E417 PolarHBondContact OH-OE2 2.82Å; E417-Y419 HydrophobicContact CG-CE1 4.35Å; E417-C460 CarbonylContact O-C 3.41Å; E417-C460 VanDerWaalsContact O-CA 3.24Å; E417-C460 WeakPolarHBondContact O-CA 3.42Å; E417-C460 WeakPolarHBondContact O-CB 3.33Å; E417-Y461 PolarHBondContact N-O 3.45Å; E417-Y461 PolarHBondContact O-N 3.45Å; E417-K562 CarbonylContact C-O 3.59Å; E417-K562 WeakPolarHBondContact CA-O 3.43Å; E417-A563 HydrophobicContact CB-CB 4.03Å; E417-A563 HydrophobicContact CG-CB 4.17Å
418L96.9Very high92Very high5 Ų541.4 Ų41.43%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-98.1132.8172.8-64.4-168.9000109.2P380 L416 L422 C460 F561 K562P380-L418 HydrophobicContact CB-CD1 3.6Å; P380-L418 HydrophobicContact CG-CD1 4.4Å; L416-L418 HydrophobicContact CD1-CD2 4.04Å; L418-L422 HydrophobicContact CD1-CG 4.39Å; L418-L422 HydrophobicContact CD2-CD2 4.24Å; L418-L422 HydrophobicContact CD2-CG 4.25Å; L418-C460 HydrophobicContact CD2-CB 3.38Å; L418-F561 HydrophobicContact CB-CD1 4.47Å; L418-F561 HydrophobicContact CD1-CD1 3.9Å; L418-F561 HydrophobicContact CD1-CE1 4.37Å; L418-F561 HydrophobicContact CG-CD1 4.01Å; L418-F561 HydrophobicContact CG-CE1 4.17Å; L418-K562 PolarHBondContact N-O 2.97Å
419Y93.6Very high93.2Very high107 Ų10739.6 Ų39.642%0.4222%0.224SC..SBendtrans-91.7-24.9170.2-60.8-71.8000111.4E417 L458 V459E417-Y419 HydrophobicContact CG-CE1 4.35Å; Y419-L458 HydrophobicContact CD2-CD2 3.79Å; Y419-L458 HydrophobicContact CD2-CG 3.76Å; Y419-L458 HydrophobicContact CE2-CD2 3.52Å; Y419-L458 HydrophobicContact CE2-CG 3.9Å; Y419-V459 PolarHBondContact N-O 3.4Å
420K86.3Confident93.9Very high109 Ų10938.3 Ų38.347%0.47422%0.216SC..SBendtrans-146.6160.3172.5-65.2-161.8-170172.20111.1E457K420-E457 WeakPolarHBondContact CD-OE1 3.44Å; K420-E457 WeakPolarHBondContact CE-OE1 3.33Å; K420-E457 IonicContact NZ-OE1 2.76Å; K420-E457 PolarHBondContact NZ-OE1 3.1Å; K420-E457 IonicContact NZ-OE2 3.2Å
421P90.1Very high94.4Very high79 Ų7938 Ų3851%0.51321%0.213SC..PPolyproline II helixtrans-53.8140.7168.5-24.734.8000111.4A559P421-A559 HydrophobicContact CG-CB 4.22Å
422L94.3Very high94.6Very high13 Ų1336 Ų367%0.06820%0.203CC..PPolyproline II helixtrans-67.6139.8178.3-67.9167.1000110.2C378 P380 F382 G383 L418 V459C378-L422 HydrophobicContact CB-CB 4.07Å; P380-L422 WeakPolarHBondContact O-CD1 3.46Å; F382-L422 HydrophobicContact CB-CD1 3.99Å; F382-L422 HydrophobicContact CD1-CD1 4.25Å; G383-L422 VanDerWaalsContact N-CD1 3.29Å; L418-L422 HydrophobicContact CD1-CG 4.39Å; L418-L422 HydrophobicContact CD2-CD2 4.24Å; L418-L422 HydrophobicContact CD2-CG 4.25Å; L422-V459 HydrophobicContact CD2-CG1 3.7Å
423P94.5Very high94.8Very high33 Ų3336.9 Ų36.921%0.21421%0.205CC..PPolyproline II helixtrans-63.3158.7170.125.3-28.8000110.5F344 L428F344-P423 VanDerWaalsContact CE2-O 3.3Å; F344-P423 WeakPolarHBondContact CE2-O 3.43Å; F344-P423 HydrophobicContact CZ-CG 4.06Å; F344-P423 VanDerWaalsContact CZ-O 3.23Å; F344-P423 WeakPolarHBondContact CZ-O 3.25Å; P423-L428 HydrophobicContact CG-CD2 4.33Å
424T95.8Very high94.8Very high50 Ų5035.6 Ų35.631%0.30720%0.199SC..SBendtrans-90.4-8.117949.20000113.2T345 S346 F376T345-T424 CarbonylContact C-O 3.27Å; T345-T424 VanDerWaalsContact C-O 3.26Å; S346-T424 WeakPolarHBondContact CA-O 3.4Å; S346-T424 PolarHBondContact N-O 3.45Å; F376-T424 HydrophobicContact CD1-CG2 3.63Å; F376-T424 HydrophobicContact CE1-CG2 3.74Å
425S95.8Very high94.6Very high67 Ų6735.9 Ų35.947%0.46920%0.201SC..SBendtrans-162.3157.3170.962.60000109.9F344F344-S425 CarbonylContact O-C 3.58Å; F344-S425 VanDerWaalsContact O-CA 3.29Å; F344-S425 WeakPolarHBondContact O-CA 3.36Å
426G93.7Very high94.4Very high28 Ų2835.4 Ų35.429%0.28920%0.199SC..EExtended strand (participates in β ladder)trans144.3-166.1173.900000112S343 F344S343-G426 WeakPolarHBondContact CA-O 3.26Å; F344-G426 VanDerWaalsContact CD1-O 3.29Å; F344-G426 WeakPolarHBondContact CD1-O 3.29Å; F344-G426 PolarHBondContact N-O 3.31Å; F344-G426 PolarHBondContact O-N 3.06Å
427T95.1Very high94.1Very high64 Ų6435.6 Ų35.639%0.39320%0.2SC..EExtended strand (participates in β ladder)trans-118.4123.5175.1-58.60000108.8F342 S343F342-T427 WeakPolarHBondContact O-CA 3.33Å; S343-T427 WeakPolarHBondContact OG-CG2 3.31Å; S343-T427 PolarHBondContact OG-OG1 2.76Å
428L95Very high93.7Very high0 Ų034.6 Ų34.60%020%0.196CC..EExtended strand (participates in β ladder)trans-107.1138175.8-61.4174.9000109.9S341 F342 F344 P386 P423 T452 Y453 N454 V459S341-L428 CarbonylContact C-O 3.26Å; S341-L428 WeakPolarHBondContact CA-O 3.44Å; F342-L428 PolarHBondContact N-O 3.18Å; F342-L428 PolarHBondContact O-N 3.18Å; F344-L428 HydrophobicContact CD1-CD1 4.5Å; F344-L428 HydrophobicContact CE1-CD1 3.73Å; F344-L428 HydrophobicContact CE1-CG 3.85Å; F344-L428 HydrophobicContact CZ-CD1 4.33Å; P386-L428 HydrophobicContact CB-CB 4.43Å; P386-L428 HydrophobicContact CB-CD1 4.45Å; P386-L428 HydrophobicContact CG-CD1 3.8Å; P423-L428 HydrophobicContact CG-CD2 4.33Å; L428-T452 HydrophobicContact CB-CG2 3.73Å; L428-T452 HydrophobicContact CD1-CG2 4.17Å; L428-T452 HydrophobicContact CG-CG2 4.36Å; L428-Y453 CarbonylContact C-O 3.48Å; L428-Y453 VanDerWaalsContact CA-O 3.24Å; L428-Y453 WeakPolarHBondContact CA-O 3.44Å; L428-N454 HydrophobicContact CD2-CB 3.71Å; L428-V459 HydrophobicContact CD2-CG2 4.44Å
429T95.2Very high93.4Very high43 Ų4334.9 Ų34.926%0.26420%0.197SC..EExtended strand (participates in β ladder)trans-110126.9176.3-58.20000109.3S340 S341 T452 Y453S340-T429 CarbonylContact O-C 3.58Å; S340-T429 WeakPolarHBondContact O-CA 3.11Å; S341-T429 PolarHBondContact OG-OG1 3.22Å; T429-T452 CarbonylContact O-C 3.52Å; T429-T452 WeakPolarHBondContact O-CA 3.36Å; T429-Y453 PolarHBondContact N-O 3.12Å; T429-Y453 PolarHBondContact O-N 3.45Å
430S94.7Very high93.2Very high0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-112130.2-179.4-58.60000111S339 S340 P386 N451 T452S339-S430 WeakPolarHBondContact CA-O 3.36Å; S340-S430 PolarHBondContact N-O 3.32Å; S340-S430 PolarHBondContact O-N 3.23Å; P386-S430 PolarHBondContact O-OG 2.84Å; S430-N451 CarbonylContact C-O 3.54Å; S430-N451 WeakPolarHBondContact CA-O 3.31Å; S430-T452 WeakPolarHBondContact OG-CG2 3.25Å; S430-T452 PolarHBondContact OG-OG1 3.19Å
431E93.8Very high93.2Very high75 Ų7529.6 Ų29.635%0.3518%0.183SC..EExtended strand (participates in β ladder)trans-113124.3174.2-62-169.9171.200109.5K336 A450 N451 Y453K336-E431 IonicContact NZ-OE2 3.36Å; E431-A450 CarbonylContact O-C 3.6Å; E431-A450 VanDerWaalsContact O-CA 3.3Å; E431-A450 WeakPolarHBondContact O-CA 3.15Å; E431-N451 PolarHBondContact N-O 3.37Å; E431-N451 PolarHBondContact O-N 3.47Å; E431-Y453 HydrophobicContact CB-CE2 4.46Å; E431-Y453 HydrophobicContact CG-CE2 4.17Å
432T94.3Very high92.9Very high1 Ų129.5 Ų29.51%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-116.7138.7-176.2-54.60000110.9K336 L337 T391 L448 D449 A450K336-T432 WeakPolarHBondContact CA-O 3.46Å; L337-T432 HydrophobicContact CD1-CG2 4.45Å; L337-T432 HydrophobicContact CD2-CG2 4.13Å; L337-T432 PolarHBondContact N-O 2.86Å; T391-T432 HydrophobicContact CG2-CG2 4.21Å; T391-T432 PolarHBondContact OG1-OG1 2.72Å; T432-L448 HydrophobicContact CG2-CB 4.06Å; T432-L448 HydrophobicContact CG2-CD2 4.4Å; T432-D449 CarbonylContact C-O 3.6Å; T432-D449 VanDerWaalsContact CA-O 3.31Å; T432-D449 WeakPolarHBondContact CA-O 3.27Å; T432-A450 HydrophobicContact CG2-CB 4.26Å; T432-A450 WeakPolarHBondContact OG1-CB 3.45Å
433T94.3Very high92.5Very high35 Ų3528.9 Ų28.922%0.21518%0.181CC..EExtended strand (participates in β ladder)trans-130.6141.5178.3-530000110.2Q335 A435 L448 D449Q335-T433 WeakPolarHBondContact O-CA 3.33Å; T433-A435 PolarHBondContact O-N 3.35Å; T433-A435 VanDerWaalsContact O-N 3.1Å; T433-L448 WeakPolarHBondContact O-CA 3.49Å; T433-D449 PolarHBondContact N-O 2.9Å; T433-D449 PolarHBondContact O-N 2.92Å
434V94.3Very high92.3Very high0 Ų027.3 Ų27.30%017%0.171CC..EExtended strand (participates in β ladder)trans-72.2102.3170-176.70000109.1A332 G334 Q335 L337 V399 V437 I446 L447 L448A332-V434 VanDerWaalsContact O-CB 3.24Å; A332-V434 WeakPolarHBondContact O-CB 3.41Å; G334-V434 PolarHBondContact N-O 2.86Å; Q335-V434 PolarHBondContact O-N 2.79Å; L337-V434 HydrophobicContact CD1-CG2 4.06Å; V399-V434 HydrophobicContact CG1-CG2 4.03Å; V399-V434 HydrophobicContact CG2-CG2 4.11Å; V434-V437 HydrophobicContact CG1-CG2 4.01Å; V434-I446 HydrophobicContact CG1-CG2 4.1Å; V434-L447 CarbonylContact C-O 3.52Å; V434-L448 HydrophobicContact CB-CD2 4.43Å; V434-L448 HydrophobicContact CG2-CD2 3.84Å
435A93.7Very high92.1Very high5 Ų525.6 Ų25.64%0.04116%0.16CC..EExtended strand (participates in β ladder)trans-71.8-40.6-177.600000111.7T433 L447 D449 K482T433-A435 PolarHBondContact O-N 3.35Å; T433-A435 VanDerWaalsContact O-N 3.1Å; A435-L447 HydrophobicContact CB-CB 4.11Å; A435-L447 PolarHBondContact N-O 3.25Å; A435-D449 HydrophobicContact CB-CB 4.25Å; A435-D449 VanDerWaalsContact CB-OD2 3.3Å; A435-D449 WeakPolarHBondContact CB-OD2 3.12Å; A435-K482 HydrophobicContact CB-CD 4.39Å; A435-K482 VanDerWaalsContact O-CD 3.32Å; A435-K482 WeakPolarHBondContact O-CD 3.37Å; A435-K482 PolarHBondContact O-NZ 3.12Å
436D93.6Very high91.9Very high1 Ų122.4 Ų22.41%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-166.3164.2-177.1-141-18.1000113.3L447 K477 S480D436-L447 HydrophobicContact CB-CB 4.17Å; D436-L447 HydrophobicContact CB-CD1 3.87Å; D436-L447 HydrophobicContact CB-CG 4.27Å; D436-L447 PolarHBondContact N-O 3.02Å; D436-L447 PolarHBondContact O-N 3.1Å; D436-K477 WeakPolarHBondContact OD1-CE 3.35Å; D436-K477 IonicContact OD1-NZ 3Å; D436-K477 PolarHBondContact OD1-NZ 2.84Å; D436-K477 WeakPolarHBondContact OD2-CE 3.2Å; D436-K477 IonicContact OD2-NZ 2.62Å; D436-K477 PolarHBondContact OD2-NZ 3.32Å; D436-S480 WeakPolarHBondContact OD2-CB 3.49Å; D436-S480 PolarHBondContact OD2-OG 3.34Å
437V92.3Very high92Very high4 Ų421.2 Ų21.22%0.02413%0.125CC..EExtended strand (participates in β ladder)trans-136.2126.1172.9-177.80000109.5F327 P329 A332 I333 L402 V434 A444 V445 I446 F474F327-V437 HydrophobicContact CE1-CG1 3.96Å; F327-V437 HydrophobicContact CZ-CG1 3.86Å; P329-V437 HydrophobicContact CB-CB 3.97Å; P329-V437 HydrophobicContact CB-CG1 4.01Å; P329-V437 HydrophobicContact CG-CG1 4.18Å; A332-V437 HydrophobicContact CB-CG2 4.47Å; I333-V437 HydrophobicContact CG1-CG2 4.13Å; L402-V437 HydrophobicContact CD2-CG2 4.27Å; V434-V437 HydrophobicContact CG1-CG2 4.01Å; V437-A444 HydrophobicContact CG1-CB 4.5Å; V437-V445 CarbonylContact C-O 3.21Å; V437-V445 WeakPolarHBondContact CA-O 3.47Å; V437-I446 HydrophobicContact CG1-CG1 4.47Å; V437-I446 HydrophobicContact CG2-CG1 4.45Å; V437-I446 HydrophobicContact CG2-CG2 4.46Å; V437-F474 HydrophobicContact CG1-CZ 4.07Å
438L91.7Very high92Very high7 Ų718.2 Ų18.24%0.03711%0.107CC..EExtended strand (participates in β ladder)trans-117139.4-173-52.2177.8000111.8A444 V445 L447 K477 S479L438-A444 CarbonylContact O-C 3.51Å; L438-A444 VanDerWaalsContact O-CA 3.29Å; L438-A444 WeakPolarHBondContact O-CA 3.4Å; L438-V445 HydrophobicContact CB-CB 4.17Å; L438-V445 PolarHBondContact N-O 3.22Å; L438-V445 PolarHBondContact O-N 3.46Å; L438-L447 HydrophobicContact CD1-CD1 4.46Å; L438-K477 CarbonylContact C-O 3.42Å; L438-K477 VanDerWaalsContact CA-O 3.29Å; L438-K477 WeakPolarHBondContact CA-O 3.37Å; L438-K477 HydrophobicContact CD2-CD 4.25Å; L438-K477 HydrophobicContact CD2-CG 3.71Å; L438-S479 VanDerWaalsContact CD2-C 3.48Å; L438-S479 WeakPolarHBondContact CD2-O 3.34Å
439D90.1Very high92Very high11 Ų1119.9 Ų19.96%0.05912%0.116CC..EExtended strand (participates in β ladder)trans-88.7119.9174.2-167-18.8000109.9G441 R473 F474 G475 K477 R478D439-G441 PolarHBondContact OD1-N 3.37Å; D439-R473 PolarHBondContact OD1-N 2.92Å; D439-R473 VanDerWaalsContact OD2-CA 3.27Å; D439-R473 WeakPolarHBondContact OD2-CA 3.37Å; D439-R473 PolarHBondContact OD2-N 2.95Å; D439-R473 VanDerWaalsContact OD2-N 3.12Å; D439-F474 HydrophobicContact CB-CD1 4.23Å; D439-F474 HydrophobicContact CB-CD2 4.27Å; D439-F474 HydrophobicContact CB-CE1 3.71Å; D439-F474 HydrophobicContact CB-CE2 3.8Å; D439-F474 HydrophobicContact CB-CG 4.49Å; D439-F474 HydrophobicContact CB-CZ 3.51Å; D439-F474 PolarHBondContact OD2-N 3.41Å; D439-G475 PolarHBondContact OD2-N 3.37Å; D439-K477 PolarHBondContact N-O 3.36Å; D439-R478 WeakPolarHBondContact O-CG 3.42Å
440K89.3Confident92.1Very high83 Ų8317.9 Ų17.936%0.36110%0.103SC..  trans-110.220176.8-64.1-61.3-169.5174.20112.5S442 G443 V445 F467 R478K440-S442 PolarHBondContact O-N 3.25Å; K440-G443 WeakPolarHBondContact CA-O 3.38Å; K440-G443 WeakPolarHBondContact CB-O 3.28Å; K440-G443 PolarHBondContact N-O 2.9Å; K440-V445 HydrophobicContact CG-CG2 3.71Å; K440-F467 HydrophobicContact CB-CE2 3.91Å; K440-F467 HydrophobicContact CG-CE2 4.28Å; K440-R478 WeakPolarHBondContact CE-O 3.49Å; K440-R478 PolarHBondContact NZ-O 3.01Å
441G86.6Confident92.2Very high22 Ų2219.9 Ų19.923%0.22711%0.114CC..SBendtrans83.5-83.4-18000000110.9D439 G443 G472 R473D439-G441 PolarHBondContact OD1-N 3.37Å; G441-G443 PolarHBondContact O-N 2.87Å; G441-G472 CarbonylContact O-C 3.59Å; G441-G472 WeakPolarHBondContact O-CA 3.24Å; G441-R473 WeakPolarHBondContact O-CG 3.16Å; G441-R473 PolarHBondContact O-N 2.8Å; G441-R473 VanDerWaalsContact O-N 3.16Å
442S82.3Confident92.3Very high78 Ų7816.3 Ų16.355%0.54510%0.097SC..SBendtrans-81.42.8-178.659.40000114.5K440 G470K440-S442 PolarHBondContact O-N 3.25Å; S442-G470 WeakPolarHBondContact O-CA 3.38Å; S442-G470 PolarHBondContact O-N 3.05Å
443G86.1Confident92.4Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-168.9172.4179.800000112K440 G441 V468 G472K440-G443 WeakPolarHBondContact CA-O 3.38Å; K440-G443 WeakPolarHBondContact CB-O 3.28Å; K440-G443 PolarHBondContact N-O 2.9Å; G441-G443 PolarHBondContact O-N 2.87Å; G443-V468 CarbonylContact C-O 3.57Å; G443-V468 WeakPolarHBondContact CA-O 3.44Å; G443-G472 WeakPolarHBondContact O-CA 3.48Å
444A90Very high92.3Very high0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-105.7150.8174.100000111.1F327 V437 L438 F467 V468 A471 F474F327-A444 HydrophobicContact CE1-CB 4.02Å; F327-A444 HydrophobicContact CZ-CB 3.65Å; V437-A444 HydrophobicContact CG1-CB 4.5Å; L438-A444 CarbonylContact O-C 3.51Å; L438-A444 VanDerWaalsContact O-CA 3.29Å; L438-A444 WeakPolarHBondContact O-CA 3.4Å; A444-F467 CarbonylContact O-C 3.59Å; A444-F467 WeakPolarHBondContact O-CA 3.44Å; A444-F467 WeakPolarHBondContact O-CD2 3.26Å; A444-V468 PolarHBondContact N-O 2.87Å; A444-V468 PolarHBondContact O-N 3.3Å; A444-A471 HydrophobicContact CB-CB 3.89Å; A444-A471 WeakPolarHBondContact CB-O 3.25Å; A444-F474 HydrophobicContact CB-CE1 3.96Å
445V91.9Very high92.2Very high13 Ų1323.3 Ų23.38%0.07914%0.143CC..EExtended strand (participates in β ladder)trans-110.2124.8163.71730000108.8V437 L438 K440 L447 S465 V466 F467V437-V445 CarbonylContact C-O 3.21Å; V437-V445 WeakPolarHBondContact CA-O 3.47Å; L438-V445 HydrophobicContact CB-CB 4.17Å; L438-V445 PolarHBondContact N-O 3.22Å; L438-V445 PolarHBondContact O-N 3.46Å; K440-V445 HydrophobicContact CG-CG2 3.71Å; V445-L447 HydrophobicContact CG1-CD2 3.88Å; V445-L447 HydrophobicContact CG1-CG 4.47Å; V445-S465 WeakPolarHBondContact CG1-OG 3.19Å; V445-V466 CarbonylContact C-O 3.45Å; V445-V466 VanDerWaalsContact CA-O 3.3Å; V445-V466 WeakPolarHBondContact CA-O 3.48Å; V445-F467 HydrophobicContact CG2-CD2 3.68Å; V445-F467 HydrophobicContact CG2-CE2 4.41Å
446I92.7Very high92Very high0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-102.7125.3173.4-55.5159.6000107.6L396 L402 I404 V434 V437 L448 V466 V468L396-I446 HydrophobicContact CD2-CD1 4.27Å; L402-I446 HydrophobicContact CD1-CD1 4.05Å; L402-I446 HydrophobicContact CD1-CG2 4.36Å; L402-I446 HydrophobicContact CD2-CD1 4.26Å; L402-I446 HydrophobicContact CD2-CG1 4.46Å; I404-I446 HydrophobicContact CD1-CD1 3.31Å; I404-I446 HydrophobicContact CG1-CD1 4.22Å; V434-I446 HydrophobicContact CG1-CG2 4.1Å; V437-I446 HydrophobicContact CG1-CG1 4.47Å; V437-I446 HydrophobicContact CG2-CG1 4.45Å; V437-I446 HydrophobicContact CG2-CG2 4.46Å; I446-L448 HydrophobicContact CG2-CD1 4.44Å; I446-L448 HydrophobicContact CG2-CD2 3.95Å; I446-L448 HydrophobicContact CG2-CG 4.03Å; I446-V466 PolarHBondContact N-O 3.3Å; I446-V466 PolarHBondContact O-N 2.91Å; I446-V468 HydrophobicContact CD1-CG2 3.76Å
447L94.7Very high92Very high4 Ų435.1 Ų35.12%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-98124.9174.6-59.8-177.9000109V434 A435 D436 L438 V445 F464 A483V434-L447 CarbonylContact C-O 3.52Å; A435-L447 HydrophobicContact CB-CB 4.11Å; A435-L447 PolarHBondContact N-O 3.25Å; D436-L447 HydrophobicContact CB-CB 4.17Å; D436-L447 HydrophobicContact CB-CD1 3.87Å; D436-L447 HydrophobicContact CB-CG 4.27Å; D436-L447 PolarHBondContact N-O 3.02Å; D436-L447 PolarHBondContact O-N 3.1Å; L438-L447 HydrophobicContact CD1-CD1 4.46Å; V445-L447 HydrophobicContact CG1-CD2 3.88Å; V445-L447 HydrophobicContact CG1-CG 4.47Å; L447-F464 WeakPolarHBondContact CA-O 3.39Å; L447-A483 HydrophobicContact CD1-CB 3.71Å
448L94.8Very high92.1Very high1 Ų137.5 Ų37.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-121.3117.5-176.7-59.8157.9000108.5T391 L396 T432 T433 V434 I446 Q463 F464 V466T391-L448 HydrophobicContact CG2-CB 3.99Å; T391-L448 HydrophobicContact CG2-CD1 3.29Å; T391-L448 HydrophobicContact CG2-CG 4.14Å; L396-L448 HydrophobicContact CD1-CD1 3.45Å; L396-L448 VanDerWaalsContact CD1-CD1 3.45Å; L396-L448 HydrophobicContact CD1-CD2 3.58Å; L396-L448 HydrophobicContact CD1-CG 4.13Å; T432-L448 HydrophobicContact CG2-CB 4.06Å; T432-L448 HydrophobicContact CG2-CD2 4.4Å; T433-L448 WeakPolarHBondContact O-CA 3.49Å; V434-L448 HydrophobicContact CB-CD2 4.43Å; V434-L448 HydrophobicContact CG2-CD2 3.84Å; I446-L448 HydrophobicContact CG2-CD1 4.44Å; I446-L448 HydrophobicContact CG2-CD2 3.95Å; I446-L448 HydrophobicContact CG2-CG 4.03Å; L448-Q463 CarbonylContact O-C 3.52Å; L448-Q463 VanDerWaalsContact O-CA 3.28Å; L448-Q463 WeakPolarHBondContact O-CA 3.2Å; L448-F464 HydrophobicContact CB-CB 4.24Å; L448-F464 PolarHBondContact N-O 3.45Å; L448-F464 PolarHBondContact O-N 2.86Å; L448-V466 HydrophobicContact CD1-CG2 3.88Å
449D96.5Very high92.2Very high35 Ų3537.4 Ų37.419%0.18722%0.215CC..EExtended strand (participates in β ladder)trans-94.4119.5175.6-77.1-14.3000108.5T432 T433 A435 Y461 Q463T432-D449 CarbonylContact C-O 3.6Å; T432-D449 VanDerWaalsContact CA-O 3.31Å; T432-D449 WeakPolarHBondContact CA-O 3.27Å; T433-D449 PolarHBondContact N-O 2.9Å; T433-D449 PolarHBondContact O-N 2.92Å; A435-D449 HydrophobicContact CB-CB 4.25Å; A435-D449 VanDerWaalsContact CB-OD2 3.3Å; A435-D449 WeakPolarHBondContact CB-OD2 3.12Å; D449-Y461 HydrophobicContact CB-CE2 3.85Å; D449-Y461 VanDerWaalsContact CG-OH 3.24Å; D449-Y461 PolarHBondContact OD1-OH 2.9Å; D449-Q463 WeakPolarHBondContact OD1-CG 3.06Å; D449-Q463 PolarHBondContact OD1-NE2 3.35Å
450A96.1Very high92.5Very high0 Ų036.9 Ų36.90%021%0.212CC..EExtended strand (participates in β ladder)trans-119.8121.1179.600000110.7E431 T432 Y461 N462 F464E431-A450 CarbonylContact O-C 3.6Å; E431-A450 VanDerWaalsContact O-CA 3.3Å; E431-A450 WeakPolarHBondContact O-CA 3.15Å; T432-A450 HydrophobicContact CG2-CB 4.26Å; T432-A450 WeakPolarHBondContact OG1-CB 3.45Å; A450-Y461 CarbonylContact O-C 3.51Å; A450-Y461 WeakPolarHBondContact O-CA 3.48Å; A450-N462 HydrophobicContact CB-CB 4.25Å; A450-N462 PolarHBondContact N-O 2.71Å; A450-N462 PolarHBondContact O-N 3.32Å; A450-F464 HydrophobicContact CB-CE2 4.16Å
451N96.7Very high92.9Very high42 Ų4234.1 Ų34.123%0.22520%0.199CC..EExtended strand (participates in β ladder)trans-103.9129.7174.2-67.7-69.5000109.1S430 E431 Y453 L458 Y461S430-N451 CarbonylContact C-O 3.54Å; S430-N451 WeakPolarHBondContact CA-O 3.31Å; E431-N451 PolarHBondContact N-O 3.37Å; E431-N451 PolarHBondContact O-N 3.47Å; N451-Y453 HydrophobicContact CB-CE2 3.72Å; N451-L458 HydrophobicContact CB-CD1 3.76Å; N451-Y461 WeakPolarHBondContact OD1-CD2 3.34Å
452T96.6Very high93.5Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-118.4128.9-178-62.10000110.9P386 S387 L428 T429 S430 V459 C460P386-T452 HydrophobicContact CB-CG2 4.17Å; S387-T452 PolarHBondContact OG-OG1 2.99Å; L428-T452 HydrophobicContact CB-CG2 3.73Å; L428-T452 HydrophobicContact CD1-CG2 4.17Å; L428-T452 HydrophobicContact CG-CG2 4.36Å; T429-T452 CarbonylContact O-C 3.52Å; T429-T452 WeakPolarHBondContact O-CA 3.36Å; S430-T452 WeakPolarHBondContact OG-CG2 3.25Å; S430-T452 PolarHBondContact OG-OG1 3.19Å; T452-V459 PolarHBondContact O-N 3.09Å; T452-C460 VanDerWaalsContact CB-SG 3.56Å; T452-C460 PolarHBondContact N-O 3.17Å; T452-C460 PolarHBondContact O-N 3.2Å
453Y95.8Very high94.2Very high57 Ų5729.5 Ų29.522%0.22416%0.163CC..EExtended strand (participates in β ladder)trans-117.1149.2-171.8-54.9-93.2000112.1L428 T429 E431 N451 G455 E457 L458L428-Y453 CarbonylContact C-O 3.48Å; L428-Y453 VanDerWaalsContact CA-O 3.24Å; L428-Y453 WeakPolarHBondContact CA-O 3.44Å; T429-Y453 PolarHBondContact N-O 3.12Å; T429-Y453 PolarHBondContact O-N 3.45Å; E431-Y453 HydrophobicContact CB-CE2 4.46Å; E431-Y453 HydrophobicContact CG-CE2 4.17Å; N451-Y453 HydrophobicContact CB-CE2 3.72Å; Y453-G455 WeakPolarHBondContact CB-O 3.5Å; Y453-E457 CarbonylContact C-O 3.59Å; Y453-E457 WeakPolarHBondContact CA-O 3.23Å; Y453-L458 HydrophobicContact CD1-CB 4.01Å; Y453-L458 HydrophobicContact CD1-CD1 4.08Å; Y453-L458 HydrophobicContact CE1-CB 3.91Å; Y453-L458 HydrophobicContact CE1-CD1 3.72Å; Y453-L458 HydrophobicContact CE1-CG 4.38Å; Y453-L458 HydrophobicContact CE2-CD1 4.49Å
454N93.2Very high94.7Very high71 Ų7129.5 Ų29.538%0.3816%0.163SC..EExtended strand (participates in β ladder)trans-113.1102.9164.9-179.114.7000108.1L428 D456 E457 V459L428-N454 HydrophobicContact CD2-CB 3.71Å; N454-D456 PolarHBondContact O-N 2.92Å; N454-E457 PolarHBondContact N-O 2.89Å; N454-E457 WeakPolarHBondContact O-CB 3.24Å; N454-E457 PolarHBondContact O-N 3.08Å; N454-V459 HydrophobicContact CB-CG2 3.61Å
455G91Very high94.9Very high56 Ų5630 Ų3058%0.57717%0.166SC*.THydrogen-bonded Turntrans60.9-125.6-161.800000110.1Y453 E457Y453-G455 WeakPolarHBondContact CB-O 3.5Å; G455-E457 VanDerWaalsContact C-N 3.35Å
456D89.9Confident94.8Very high171 Ų17129.3 Ų29.391%0.91416%0.163SC*.THydrogen-bonded Turntrans-88.8-1.7178.3-60.2-40000113.3N454N454-D456 PolarHBondContact O-N 2.92Å
457E93.1Very high94.6Very high82 Ų8231.6 Ų31.638%0.38317%0.173SC..EExtended strand (participates in β ladder)trans-95.5124.4-171.1-163-171.3151.500112.3K420 Y453 N454 G455 V459K420-E457 WeakPolarHBondContact CD-OE1 3.44Å; K420-E457 WeakPolarHBondContact CE-OE1 3.33Å; K420-E457 IonicContact NZ-OE1 2.76Å; K420-E457 PolarHBondContact NZ-OE1 3.1Å; K420-E457 IonicContact NZ-OE2 3.2Å; Y453-E457 CarbonylContact C-O 3.59Å; Y453-E457 WeakPolarHBondContact CA-O 3.23Å; N454-E457 PolarHBondContact N-O 2.89Å; N454-E457 WeakPolarHBondContact O-CB 3.24Å; N454-E457 PolarHBondContact O-N 3.08Å; G455-E457 VanDerWaalsContact C-N 3.35Å; E457-V459 PolarHBondContact O-N 2.77Å
458L94.8Very high94.2Very high54 Ų5431.6 Ų31.628%0.28317%0.172SC..EExtended strand (participates in β ladder)trans-72117.1176-177.566.4000110.9Y419 N451 Y453Y419-L458 HydrophobicContact CD2-CD2 3.79Å; Y419-L458 HydrophobicContact CD2-CG 3.76Å; Y419-L458 HydrophobicContact CE2-CD2 3.52Å; Y419-L458 HydrophobicContact CE2-CG 3.9Å; N451-L458 HydrophobicContact CB-CD1 3.76Å; Y453-L458 HydrophobicContact CD1-CB 4.01Å; Y453-L458 HydrophobicContact CD1-CD1 4.08Å; Y453-L458 HydrophobicContact CE1-CB 3.91Å; Y453-L458 HydrophobicContact CE1-CD1 3.72Å; Y453-L458 HydrophobicContact CE1-CG 4.38Å; Y453-L458 HydrophobicContact CE2-CD1 4.49Å
459V95Very high93.6Very high6 Ų634.1 Ų34.14%0.03619%0.188CC..EExtended strand (participates in β ladder)trans-99.2-45.5-176.5-1770000111.5Y419 L422 L428 T452 N454 E457Y419-V459 PolarHBondContact N-O 3.4Å; L422-V459 HydrophobicContact CD2-CG1 3.7Å; L428-V459 HydrophobicContact CD2-CG2 4.44Å; T452-V459 PolarHBondContact O-N 3.09Å; N454-V459 HydrophobicContact CB-CG2 3.61Å; E457-V459 PolarHBondContact O-N 2.77Å
460C96.3Very high92.8Very high0 Ų035.4 Ų35.40%021%0.21CC..EExtended strand (participates in β ladder)trans-147.6156.5178.467.90000113.4L416 E417 L418 T452L416-C460 HydrophobicContact CD1-CB 4.01Å; E417-C460 CarbonylContact O-C 3.41Å; E417-C460 VanDerWaalsContact O-CA 3.24Å; E417-C460 WeakPolarHBondContact O-CA 3.42Å; E417-C460 WeakPolarHBondContact O-CB 3.33Å; L418-C460 HydrophobicContact CD2-CB 3.38Å; T452-C460 VanDerWaalsContact CB-SG 3.56Å; T452-C460 PolarHBondContact N-O 3.17Å; T452-C460 PolarHBondContact O-N 3.2Å
461Y97.9Very high92.1Very high24 Ų2436.3 Ų36.39%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-120.6133.5171.7164.4-98.1000109.3Y415 L416 E417 D449 A450 N451 Q463Y415-Y461 AromaticContact CD1-CD1 3.91Å; Y415-Y461 HydrophobicContact CD1-CD1 3.91Å; Y415-Y461 AromaticContact CD1-CE1 3.7Å; Y415-Y461 HydrophobicContact CD1-CE1 3.7Å; Y415-Y461 AromaticContact CE1-CD1 3.76Å; Y415-Y461 HydrophobicContact CE1-CD1 3.76Å; Y415-Y461 AromaticContact CE1-CE1 3.78Å; Y415-Y461 HydrophobicContact CE1-CE1 3.78Å; L416-Y461 CarbonylContact C-O 3.48Å; L416-Y461 WeakPolarHBondContact CA-O 3.26Å; E417-Y461 PolarHBondContact N-O 3.45Å; E417-Y461 PolarHBondContact O-N 3.45Å; D449-Y461 HydrophobicContact CB-CE2 3.85Å; D449-Y461 VanDerWaalsContact CG-OH 3.24Å; D449-Y461 PolarHBondContact OD1-OH 2.9Å; A450-Y461 CarbonylContact O-C 3.51Å; A450-Y461 WeakPolarHBondContact O-CA 3.48Å; N451-Y461 WeakPolarHBondContact OD1-CD2 3.34Å; Y461-Q463 HydrophobicContact CE1-CB 4.24Å; Y461-Q463 PolarHBondContact OH-NE2 3.15Å
462N97.9Very high91.5Very high0 Ų035 Ų350%021%0.214CC..EExtended strand (participates in β ladder)trans-120.4140.9175.8-75.6-82.2000109.9G383 S387 Q414 Y415 L416 A450 F464G383-N462 PolarHBondContact O-ND2 2.96Å; S387-N462 PolarHBondContact OG-ND2 3.34Å; Q414-N462 PolarHBondContact NE2-OD1 3.08Å; Y415-N462 CarbonylContact O-C 3.59Å; Y415-N462 WeakPolarHBondContact O-CA 3.12Å; L416-N462 VanDerWaalsContact CD1-OD1 3.27Å; L416-N462 WeakPolarHBondContact CD1-OD1 3.38Å; A450-N462 HydrophobicContact CB-CB 4.25Å; A450-N462 PolarHBondContact N-O 2.71Å; A450-N462 PolarHBondContact O-N 3.32Å; N462-F464 HydrophobicContact CB-CD2 4.23Å; N462-F464 HydrophobicContact CB-CE2 3.57Å; N462-F464 HydrophobicContact CB-CZ 4.17Å
463Q97.5Very high90.8Very high3 Ų345.2 Ų45.21%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-121.4114.9165-172.7177.78600109.8Y415 L448 D449 Y461 K482Y415-Q463 PolarHBondContact N-O 2.85Å; Y415-Q463 PolarHBondContact O-N 2.7Å; L448-Q463 CarbonylContact O-C 3.52Å; L448-Q463 VanDerWaalsContact O-CA 3.28Å; L448-Q463 WeakPolarHBondContact O-CA 3.2Å; D449-Q463 WeakPolarHBondContact OD1-CG 3.06Å; D449-Q463 PolarHBondContact OD1-NE2 3.35Å; Y461-Q463 HydrophobicContact CE1-CB 4.24Å; Y461-Q463 PolarHBondContact OH-NE2 3.15Å; Q463-K482 PolarHBondContact NE2-O 3.47Å
464F95.6Very high90.3Very high0 Ų045.5 Ų45.50%026%0.255CS..EExtended strand (participates in β ladder)trans-94.1135.8175.1-59-100.2000109.5V384 Q388 T391 H411 L447 L448 A450 N462V384-F464 HydrophobicContact CG1-CE1 3.84Å; V384-F464 HydrophobicContact CG1-CZ 3.91Å; Q388-F464 HydrophobicContact CB-CE1 4.33Å; Q388-F464 HydrophobicContact CB-CZ 4.35Å; T391-F464 HydrophobicContact CG2-CD2 4.15Å; T391-F464 HydrophobicContact CG2-CG 4.26Å; H411-F464 AromaticContact CE1-CD1 3.59Å; H411-F464 AromaticContact NE2-CD1 3.69Å; L447-F464 WeakPolarHBondContact CA-O 3.39Å; L448-F464 HydrophobicContact CB-CB 4.24Å; L448-F464 PolarHBondContact N-O 3.45Å; L448-F464 PolarHBondContact O-N 2.86Å; A450-F464 HydrophobicContact CB-CE2 4.16Å; N462-F464 HydrophobicContact CB-CD2 4.23Å; N462-F464 HydrophobicContact CB-CE2 3.57Å; N462-F464 HydrophobicContact CB-CZ 4.17Å
465S94.6Very high89.6Confident10 Ų1045.7 Ų45.77%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-112.6107.4169.8-174.50000108.9G412 E413 V445G412-S465 WeakPolarHBondContact CA-O 3.06Å; G412-S465 PolarHBondContact N-O 2.97Å; E413-S465 PolarHBondContact N-O 3.42Å; E413-S465 WeakPolarHBondContact O-CB 3.5Å; E413-S465 PolarHBondContact O-N 2.88Å; V445-S465 WeakPolarHBondContact CG1-OG 3.19Å
466V91.2Very high89.3Confident0 Ų044.4 Ų44.40%026%0.26CS..EExtended strand (participates in β ladder)trans-103.6120.9-177.1-178.90000108.9M392 V409 V445 I446 L448 V468M392-V466 HydrophobicContact CE-CG2 4.4Å; V409-V466 HydrophobicContact CG1-CG1 3.44Å; V409-V466 VanDerWaalsContact CG1-CG1 3.44Å; V445-V466 CarbonylContact C-O 3.45Å; V445-V466 VanDerWaalsContact CA-O 3.3Å; V445-V466 WeakPolarHBondContact CA-O 3.48Å; I446-V466 PolarHBondContact N-O 3.3Å; I446-V466 PolarHBondContact O-N 2.91Å; L448-V466 HydrophobicContact CD1-CG2 3.88Å; V466-V468 HydrophobicContact CG1-CG2 4.48Å
467F88.5Confident89.2Confident48 Ų4841 Ų4121%0.21124%0.237CC..EExtended strand (participates in β ladder)trans-94.7124.6175-173.6-102.2000109.9L410 K440 A444 V445 V469L410-F467 HydrophobicContact CB-CB 4.39Å; L410-F467 HydrophobicContact CD1-CD1 4.47Å; L410-F467 PolarHBondContact N-O 3.07Å; L410-F467 PolarHBondContact O-N 3.37Å; K440-F467 HydrophobicContact CB-CE2 3.91Å; K440-F467 HydrophobicContact CG-CE2 4.28Å; A444-F467 CarbonylContact O-C 3.59Å; A444-F467 WeakPolarHBondContact O-CA 3.44Å; A444-F467 WeakPolarHBondContact O-CD2 3.26Å; V445-F467 HydrophobicContact CG2-CD2 3.68Å; V445-F467 HydrophobicContact CG2-CE2 4.41Å; F467-V469 HydrophobicContact CD1-CG2 3.99Å; F467-V469 HydrophobicContact CE1-CB 4.44Å; F467-V469 HydrophobicContact CE1-CG2 3.82Å
468V85.8Confident89.1Confident3 Ų344.3 Ų44.32%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-108.7109.5176.5-174.30000108I404 V409 G443 A444 I446 V466 A471I404-V468 HydrophobicContact CD1-CG2 4.33Å; I404-V468 HydrophobicContact CG1-CG2 4.29Å; I404-V468 HydrophobicContact CG2-CG1 3.82Å; I404-V468 HydrophobicContact CG2-CG2 3.88Å; V409-V468 HydrophobicContact CG2-CG2 4.27Å; G443-V468 CarbonylContact C-O 3.57Å; G443-V468 WeakPolarHBondContact CA-O 3.44Å; A444-V468 PolarHBondContact N-O 2.87Å; A444-V468 PolarHBondContact O-N 3.3Å; I446-V468 HydrophobicContact CD1-CG2 3.76Å; V466-V468 HydrophobicContact CG1-CG2 4.48Å; V468-A471 HydrophobicContact CB-CB 3.94Å; V468-A471 HydrophobicContact CG1-CB 3.67Å
469V81.9Confident88.8Confident55 Ų5545.9 Ų45.933%0.33326%0.262SS..EExtended strand (participates in β ladder)trans-64.6139.2177.1-171.20000109Q408 L410 F467 A471Q408-V469 HydrophobicContact CB-CB 4.04Å; Q408-V469 PolarHBondContact O-N 3.16Å; L410-V469 HydrophobicContact CD1-CG2 4.31Å; F467-V469 HydrophobicContact CD1-CG2 3.99Å; F467-V469 HydrophobicContact CE1-CB 4.44Å; F467-V469 HydrophobicContact CE1-CG2 3.82Å; V469-A471 VanDerWaalsContact C-N 3.27Å; V469-A471 PolarHBondContact O-N 3.49Å
470G80.2Confident88.6Confident62 Ų6246.4 Ų46.464%0.63927%0.266SS*.THydrogen-bonded Turntrans85.7-24178.300000115.2S442 G472S442-G470 WeakPolarHBondContact O-CA 3.38Å; S442-G470 PolarHBondContact O-N 3.05Å; G470-G472 PolarHBondContact O-N 3.37Å; G470-G472 VanDerWaalsContact O-N 3.08Å
471A81.8Confident88.4Confident18 Ų1853.5 Ų53.515%0.14930%0.303CS..  trans-79.919.4-177.100000115.2F327 A444 V468 V469 F474F327-A471 HydrophobicContact CD2-CB 4.38Å; F327-A471 HydrophobicContact CE2-CB 4.06Å; F327-A471 HydrophobicContact CZ-CB 4.26Å; A444-A471 HydrophobicContact CB-CB 3.89Å; A444-A471 WeakPolarHBondContact CB-O 3.25Å; V468-A471 HydrophobicContact CB-CB 3.94Å; V468-A471 HydrophobicContact CG1-CB 3.67Å; V469-A471 VanDerWaalsContact C-N 3.27Å; V469-A471 PolarHBondContact O-N 3.49Å; A471-F474 VanDerWaalsContact O-CD1 3.31Å; A471-F474 WeakPolarHBondContact O-CD1 3.46Å; A471-F474 WeakPolarHBondContact O-CE1 3.4Å
472G83Confident88Confident16 Ų1657 Ų5717%0.16532%0.319CS..  trans-96.2-167.9-178.100000114.2G441 G443 G470 F474G441-G472 CarbonylContact O-C 3.59Å; G441-G472 WeakPolarHBondContact O-CA 3.24Å; G443-G472 WeakPolarHBondContact O-CA 3.48Å; G470-G472 PolarHBondContact O-N 3.37Å; G470-G472 VanDerWaalsContact O-N 3.08Å; G472-F474 VanDerWaalsContact C-N 3.29Å; G472-F474 PolarHBondContact O-N 3.25Å
473R82.8Confident87.8Confident214 Ų21458.5 Ų58.581%0.80833%0.332SS*.  trans65.223.5178.1-43.2-173179.9167.6-1115.2D439 G441 G475D439-R473 PolarHBondContact OD1-N 2.92Å; D439-R473 VanDerWaalsContact OD2-CA 3.27Å; D439-R473 WeakPolarHBondContact OD2-CA 3.37Å; D439-R473 PolarHBondContact OD2-N 2.95Å; D439-R473 VanDerWaalsContact OD2-N 3.12Å; G441-R473 WeakPolarHBondContact O-CG 3.16Å; G441-R473 PolarHBondContact O-N 2.8Å; G441-R473 VanDerWaalsContact O-N 3.16Å; R473-G475 VanDerWaalsContact C-N 3.29Å
474F83.8Confident87.7Confident62 Ų6261.9 Ų61.927%0.27235%0.346SS..SBendtrans-87.42.4173.758.1-93.1000113F327 P329 V437 D439 A444 A471 G472 G476F327-F474 AromaticContact CD1-CD1 3.8Å; F327-F474 HydrophobicContact CD1-CD1 3.8Å; F327-F474 HydrophobicContact CD1-CE1 4.11Å; F327-F474 HydrophobicContact CD1-CG 4.19Å; F327-F474 AromaticContact CE1-CD1 3.72Å; F327-F474 HydrophobicContact CE1-CD1 3.72Å; F327-F474 AromaticContact CE1-CE1 3.52Å; F327-F474 HydrophobicContact CE1-CE1 3.52Å; F327-F474 HydrophobicContact CE1-CG 4.36Å; F327-F474 AromaticContact CE1-CZ 3.96Å; F327-F474 HydrophobicContact CE1-CZ 3.96Å; P329-F474 HydrophobicContact CB-CE2 4.25Å; P329-F474 HydrophobicContact CG-CD2 3.58Å; P329-F474 HydrophobicContact CG-CE2 3.47Å; P329-F474 VanDerWaalsContact CG-CE2 3.47Å; P329-F474 HydrophobicContact CG-CG 4.17Å; P329-F474 HydrophobicContact CG-CZ 4.02Å; V437-F474 HydrophobicContact CG1-CZ 4.07Å; D439-F474 HydrophobicContact CB-CD1 4.23Å; D439-F474 HydrophobicContact CB-CD2 4.27Å; D439-F474 HydrophobicContact CB-CE1 3.71Å; D439-F474 HydrophobicContact CB-CE2 3.8Å; D439-F474 HydrophobicContact CB-CG 4.49Å; D439-F474 HydrophobicContact CB-CZ 3.51Å; D439-F474 PolarHBondContact OD2-N 3.41Å; A444-F474 HydrophobicContact CB-CE1 3.96Å; A471-F474 VanDerWaalsContact O-CD1 3.31Å; A471-F474 WeakPolarHBondContact O-CD1 3.46Å; A471-F474 WeakPolarHBondContact O-CE1 3.4Å; G472-F474 VanDerWaalsContact C-N 3.29Å; G472-F474 PolarHBondContact O-N 3.25Å; F474-G476 VanDerWaalsContact C-N 3.34Å; F474-G476 PolarHBondContact O-N 3.13Å
475G80.1Confident87.6Confident75 Ų7564.7 Ų64.777%0.77337%0.369SS*.  trans77.818.1174.500000113.9D439 R473D439-G475 PolarHBondContact OD2-N 3.37Å; R473-G475 VanDerWaalsContact C-N 3.29Å
476G82.8Confident87.5Confident29 Ų2965.8 Ų65.830%0.29938%0.376SS..  trans-77.2173.6178.900000114.1F474F474-G476 VanDerWaalsContact C-N 3.34Å; F474-G476 PolarHBondContact O-N 3.13Å
477K89.5Confident87.6Confident99 Ų9968.3 Ų68.343%0.4339%0.39SS..  trans-64.6145175.261.7-176.4-178.5-177.50111.3D436 L438 D439 S479D436-K477 WeakPolarHBondContact OD1-CE 3.35Å; D436-K477 IonicContact OD1-NZ 3Å; D436-K477 PolarHBondContact OD1-NZ 2.84Å; D436-K477 WeakPolarHBondContact OD2-CE 3.2Å; D436-K477 IonicContact OD2-NZ 2.62Å; D436-K477 PolarHBondContact OD2-NZ 3.32Å; L438-K477 CarbonylContact C-O 3.42Å; L438-K477 VanDerWaalsContact CA-O 3.29Å; L438-K477 WeakPolarHBondContact CA-O 3.37Å; L438-K477 HydrophobicContact CD2-CD 4.25Å; L438-K477 HydrophobicContact CD2-CG 3.71Å; D439-K477 PolarHBondContact N-O 3.36Å; K477-S479 WeakPolarHBondContact CD-O 3.44Å
478R89.8Confident87.7Confident153 Ų15370.9 Ų70.958%0.57741%0.411SS*.SBendtrans-89.6-11-178.7-60.9-177.165.787-3.8113.6D439 K440D439-R478 WeakPolarHBondContact O-CG 3.42Å; K440-R478 WeakPolarHBondContact CE-O 3.49Å; K440-R478 PolarHBondContact NZ-O 3.01Å
479S88.9Confident88Confident87 Ų8772.8 Ų72.861%0.60842%0.424SS*.  trans-142.9155.3-177.852.90000110.5L438 K477L438-S479 VanDerWaalsContact CD2-C 3.48Å; L438-S479 WeakPolarHBondContact CD2-O 3.34Å; K477-S479 WeakPolarHBondContact CD-O 3.44Å
480S91.6Very high88.6Confident17 Ų1771.2 Ų71.212%0.11941%0.414CS..  trans-123.4139174.3-173.20000109.4D436 K482D436-S480 WeakPolarHBondContact OD2-CB 3.49Å; D436-S480 PolarHBondContact OD2-OG 3.34Å; S480-K482 VanDerWaalsContact C-N 3.26Å; S480-K482 WeakPolarHBondContact OG-CB 3.41Å; S480-K482 PolarHBondContact OG-N 2.99Å
481D90.9Very high89.3Confident148 Ų14879 Ų7979%0.79143%0.43SS*.SBendtrans-70.6-22164.758.3-33.4000112.4A483D481-A483 VanDerWaalsContact C-N 3.33Å
482K90.9Very high89.9Confident99 Ų9983 Ų8343%0.4344%0.442SS..SBendtrans-76.9-18.7174.2-54.6-178.2-176.8179.50113.4A435 Q463 S480 K484A435-K482 HydrophobicContact CB-CD 4.39Å; A435-K482 VanDerWaalsContact O-CD 3.32Å; A435-K482 WeakPolarHBondContact O-CD 3.37Å; A435-K482 PolarHBondContact O-NZ 3.12Å; Q463-K482 PolarHBondContact NE2-O 3.47Å; S480-K482 VanDerWaalsContact C-N 3.26Å; S480-K482 WeakPolarHBondContact OG-CB 3.41Å; S480-K482 PolarHBondContact OG-N 2.99Å; K482-K484 PolarHBondContact O-N 3.29Å
483A93Very high90.6Very high31 Ų3186 Ų8626%0.25646%0.464SS..SBendtrans-71.4128.1-179.100000111.3L447 D481 A485L447-A483 HydrophobicContact CD1-CB 3.71Å; D481-A483 VanDerWaalsContact C-N 3.33Å; A483-A485 PolarHBondContact O-N 3.19Å; A483-A485 VanDerWaalsContact O-N 3.13Å
484K94.8Very high91.2Very high74 Ų7477.8 Ų77.832%0.32244%0.439SS..  trans-69109.9168.5-61.3-65.4-175.7174.60109Y415 K482 K565Y415-K484 HydrophobicContact CD1-CD 4.48Å; Y415-K484 HydrophobicContact CD1-CG 3.81Å; Y415-K484 HydrophobicContact CD2-CB 3.97Å; Y415-K484 HydrophobicContact CD2-CG 4.03Å; Y415-K484 HydrophobicContact CE1-CD 4.27Å; Y415-K484 HydrophobicContact CE1-CG 4.1Å; Y415-K484 HydrophobicContact CE2-CB 4.49Å; Y415-K484 HydrophobicContact CE2-CD 4.45Å; Y415-K484 HydrophobicContact CE2-CG 4.31Å; Y415-K484 HydrophobicContact CG-CB 3.97Å; Y415-K484 HydrophobicContact CG-CG 3.76Å; K482-K484 PolarHBondContact O-N 3.29Å; K484-K565 HydrophobicContact CB-CD 4.26Å; K484-K565 WeakPolarHBondContact O-CE 3.21Å; K484-K565 PolarHBondContact O-NZ 3.43Å
485A92.9Very high91.9Very high59 Ų5978.5 Ų78.549%0.48845%0.446SS..  trans-70.8137-172.500000112.5A483A483-A485 PolarHBondContact O-N 3.19Å; A483-A485 VanDerWaalsContact O-N 3.13Å
486P92.9Very high92.7Very high33 Ų3375.3 Ų75.321%0.21441%0.412CS..  trans-70.9151.6165.128.3-29.6000110.6R567 G605P486-R567 VanDerWaalsContact CG-NH2 3.33Å; P486-G605 CarbonylContact C-O 3.57Å; P486-G605 VanDerWaalsContact CA-O 3.27Å; P486-G605 WeakPolarHBondContact CA-O 3.32Å; P486-G605 VanDerWaalsContact CB-O 3.24Å; P486-G605 WeakPolarHBondContact CB-O 3.41Å
487L93.5Very high93.4Very high53 Ų5377.2 Ų77.228%0.27742%0.418SS..  trans-120.9128-178.1-65.1176.5000110.4G605 Y607L487-G605 PolarHBondContact N-O 3.1Å; L487-G605 CarbonylContact O-C 3.15Å; L487-G605 WeakPolarHBondContact O-CA 3.12Å; L487-Y607 HydrophobicContact CB-CD1 4.2Å; L487-Y607 HydrophobicContact CD1-CD1 3.89Å; L487-Y607 HydrophobicContact CD1-CE1 3.98Å; L487-Y607 HydrophobicContact CG-CD1 4.08Å; L487-Y607 HydrophobicContact CG-CE1 4.06Å
488P90.3Very high93.8Very high101 Ų10174.5 Ų74.566%0.65641%0.41SS*.PPolyproline II helixtrans-60.5151.4177.227.8-34.2000110.7
489P91.7Very high94.2Very high44 Ų4470.9 Ų70.929%0.28640%0.401SS..PPolyproline II helixtrans-64148.317528.9-35.5000110.4W583P489-W583 HydrophobicContact CB-CE3 4.15Å; P489-W583 HydrophobicContact CB-CH2 3.84Å; P489-W583 HydrophobicContact CB-CZ2 4.18Å; P489-W583 HydrophobicContact CB-CZ3 3.81Å
490P95.3Very high94.5Very high21 Ų2169 Ų6914%0.13638%0.382CS..PPolyproline II helixtrans-54.7142.7173.3-28.737.5000112.2R492 W583 E585 H590P490-R492 HydrophobicContact CB-CG 4.01Å; P490-R492 PolarHBondContact O-N 2.89Å; P490-W583 HydrophobicContact CB-CB 4.47Å; P490-W583 HydrophobicContact CB-CG 4.27Å; P490-W583 HydrophobicContact CG-CB 3.76Å; P490-W583 HydrophobicContact CG-CG 3.94Å; P490-E585 VanDerWaalsContact CG-OE1 3.28Å; P490-E585 WeakPolarHBondContact CG-OE1 3.4Å; P490-H590 HydrophobicContact CG-CB 4.35Å
491K94.4Very high94.8Very high226 Ų22671.8 Ų71.898%0.98340%0.402SS*.SBendtrans-78.653.8179.5-63.7-175.4-178.6179.70112.1
492R96Very high95.1Very high103 Ų10365 Ų6539%0.38937%0.366SS..SBendtrans-149.3170.8177.562.6178.3-176.584.7-9.4110.1P490 D495 W583 K584P490-R492 HydrophobicContact CB-CG 4.01Å; P490-R492 PolarHBondContact O-N 2.89Å; R492-D495 IonicContact CZ-OD1 3.67Å; R492-D495 IonicContact CZ-OD2 3.89Å; R492-D495 VanDerWaalsContact NH1-CG 3.26Å; R492-D495 IonicContact NH1-OD1 3.62Å; R492-D495 PolarHBondContact NH1-OD1 3.04Å; R492-D495 IonicContact NH1-OD2 3.66Å; R492-D495 PolarHBondContact NH1-OD2 3.49Å; R492-D495 IonicContact NH2-OD1 3.23Å; R492-D495 IonicContact NH2-OD2 2.73Å; R492-D495 PolarHBondContact NH2-OD2 2.84Å; R492-W583 PolarHBondContact O-NE1 3.24Å; R492-K584 PolarHBondContact NH2-O 3.27Å
493A95.7Very high95.4Very high77 Ų7763.8 Ų63.864%0.63637%0.367SS*.  trans-61.8146.1174.100000111.7W583A493-W583 VanDerWaalsContact C-NE1 3.33Å; A493-W583 PolarHBondContact O-NE1 2.83Å
494P97.4Very high95.5Very high43 Ų4365 Ų6528%0.27938%0.382SS..  trans-65.3144.7176.226.7-33.3000111.7A496 V497 E581 M582 W583P494-A496 VanDerWaalsContact C-N 3.32Å; P494-V497 HydrophobicContact CB-CG2 4.07Å; P494-V497 HydrophobicContact CG-CG2 3.55Å; P494-E581 HydrophobicContact CB-CB 4.11Å; P494-E581 HydrophobicContact CG-CB 4.35Å; P494-E581 HydrophobicContact CG-CG 4.44Å; P494-M582 CarbonylContact C-O 3.56Å; P494-W583 VanDerWaalsContact CA-NE1 3.31Å; P494-W583 HydrophobicContact CB-CD2 4.15Å; P494-W583 HydrophobicContact CB-CH2 4.4Å; P494-W583 HydrophobicContact CB-CZ2 3.85Å; P494-W583 HydrophobicContact CG-CZ2 4.31Å
495D97.1Very high95.6Very high76 Ų7667.2 Ų67.241%0.40640%0.398SS..SBendtrans-75.3-26.8176.4-59.6-48.7000111.8R492 M582 W583 K584R492-D495 IonicContact CZ-OD1 3.67Å; R492-D495 IonicContact CZ-OD2 3.89Å; R492-D495 VanDerWaalsContact NH1-CG 3.26Å; R492-D495 IonicContact NH1-OD1 3.62Å; R492-D495 PolarHBondContact NH1-OD1 3.04Å; R492-D495 IonicContact NH1-OD2 3.66Å; R492-D495 PolarHBondContact NH1-OD2 3.49Å; R492-D495 IonicContact NH2-OD1 3.23Å; R492-D495 IonicContact NH2-OD2 2.73Å; R492-D495 PolarHBondContact NH2-OD2 2.84Å; D495-M582 PolarHBondContact N-O 3.37Å; D495-W583 VanDerWaalsContact OD2-CA 3.31Å; D495-W583 WeakPolarHBondContact OD2-CA 3.47Å; D495-K584 PolarHBondContact OD2-N 2.99Å
496A97.4Very high95.8Very high9 Ų964.7 Ų64.77%0.07438%0.376CS..EExtended strand (participates in β ladder)trans-148.1146.5174.300000111.3P494 R552 F553 M582P494-A496 VanDerWaalsContact C-N 3.32Å; A496-R552 HydrophobicContact CB-CG 3.71Å; A496-F553 HydrophobicContact CB-CE2 4.33Å; A496-F553 HydrophobicContact CB-CZ 4.02Å; A496-M582 HydrophobicContact CB-CB 4.41Å; A496-M582 HydrophobicContact CB-CE 3.83Å; A496-M582 PolarHBondContact N-O 3.28Å; A496-M582 PolarHBondContact O-N 3.33Å
497V98Very high96Very high68 Ų6863.3 Ų63.341%0.41237%0.367SS..EExtended strand (participates in β ladder)trans-130.9127.6172.7-175.90000107.9P494 I499 Q579 T580 E581P494-V497 HydrophobicContact CB-CG2 4.07Å; P494-V497 HydrophobicContact CG-CG2 3.55Å; V497-I499 HydrophobicContact CG1-CG1 4.38Å; V497-Q579 HydrophobicContact CG1-CG 3.58Å; V497-T580 WeakPolarHBondContact CA-O 3.32Å; V497-E581 HydrophobicContact CG1-CG 4.39Å; V497-E581 HydrophobicContact CG2-CG 4.22Å
498V97.5Very high96.2Very high43 Ų4362.5 Ų62.526%0.26137%0.368SS..EExtended strand (participates in β ladder)trans-119.6133.8173.9175.50000108.3H548 Q579 T580 M582V498-H548 HydrophobicContact CB-CB 4.1Å; V498-H548 HydrophobicContact CG1-CB 4.27Å; V498-H548 VanDerWaalsContact CG1-CD2 3.48Å; V498-H548 WeakPolarHBondContact CG1-CD2 3.5Å; V498-H548 HydrophobicContact CG2-CB 4.38Å; V498-Q579 CarbonylContact O-C 3.45Å; V498-Q579 WeakPolarHBondContact O-CA 3.47Å; V498-T580 PolarHBondContact N-O 3.47Å; V498-T580 PolarHBondContact O-N 3.14Å; V498-M582 HydrophobicContact CB-CE 4.09Å; V498-M582 HydrophobicContact CG2-CE 3.54Å
499I97.6Very high96.5Very high76 Ų7660.3 Ų60.339%0.3935%0.351SS..EExtended strand (participates in β ladder)trans-119.6121.4177.9-60.6173.2000107.4V497 L578 Q579 K596V497-I499 HydrophobicContact CG1-CG1 4.38Å; I499-L578 WeakPolarHBondContact CA-O 3.48Å; I499-Q579 HydrophobicContact CD1-CG 4.47Å; I499-Q579 HydrophobicContact CG1-CB 4.05Å; I499-Q579 HydrophobicContact CG1-CG 3.94Å; I499-K596 HydrophobicContact CD1-CD 4.1Å; I499-K596 HydrophobicContact CG2-CD 3.69Å
500E96.3Very high96.8Very high48 Ų4858.3 Ų58.322%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-135.2131.2178.5-168.4171.3142.600109.8F544 R547 H548 S577 L578E500-F544 HydrophobicContact CB-CD1 4.48Å; E500-F544 HydrophobicContact CG-CD1 4.32Å; E500-F544 HydrophobicContact CG-CE1 4.05Å; E500-F544 VanDerWaalsContact OE1-CE1 3.25Å; E500-F544 WeakPolarHBondContact OE1-CE1 3.42Å; E500-R547 IonicContact OE1-CZ 3.56Å; E500-R547 IonicContact OE1-NH1 3.2Å; E500-R547 PolarHBondContact OE1-NH1 3.42Å; E500-R547 IonicContact OE1-NH2 2.74Å; E500-R547 PolarHBondContact OE1-NH2 2.9Å; E500-R547 IonicContact OE2-CZ 3.58Å; E500-R547 IonicContact OE2-NH1 2.72Å; E500-R547 IonicContact OE2-NH2 3.36Å; E500-R547 PolarHBondContact OE2-NH2 2.85Å; E500-H548 WeakPolarHBondContact CB-NE2 3.36Å; E500-H548 IonicContact OE2-CD2 3.65Å; E500-H548 IonicContact OE2-NE2 2.67Å; E500-H548 PolarHBondContact OE2-NE2 2.78Å; E500-S577 WeakPolarHBondContact O-CA 3.23Å; E500-L578 PolarHBondContact N-O 3.27Å; E500-L578 PolarHBondContact O-N 2.91Å
501S96.9Very high96.8Very high75 Ų7559.3 Ų59.352%0.52434%0.338SS..EExtended strand (participates in β ladder)trans-86.1131.2177.9-57.10000110.7S577S501-S577 PolarHBondContact OG-OG 2.84Å
502T97.6Very high96.9Very high7 Ų752.2 Ų52.24%0.04331%0.311CS..PPolyproline II helixtrans-74.1155.5168.663.70000109.8Q506 L536 F544 G575 Q576 L578T502-Q506 HydrophobicContact CG2-CG 4.35Å; T502-L536 HydrophobicContact CG2-CD2 3.89Å; T502-F544 HydrophobicContact CG2-CE1 4.36Å; T502-F544 HydrophobicContact CG2-CE2 4.18Å; T502-F544 HydrophobicContact CG2-CZ 3.95Å; T502-G575 VanDerWaalsContact O-CA 3.31Å; T502-G575 WeakPolarHBondContact O-CA 3.26Å; T502-G575 PolarHBondContact OG1-N 3.28Å; T502-Q576 PolarHBondContact N-O 2.93Å; T502-Q576 PolarHBondContact OG1-N 3.02Å; T502-Q576 PolarHBondContact OG1-O 3.5Å; T502-L578 HydrophobicContact CG2-CD1 3.98Å; T502-L578 HydrophobicContact CG2-CG 4.18Å
503T96.2Very high96.8Very high72 Ų7247.9 Ų47.944%0.44230%0.296SS..PPolyproline II helixtrans-80.6163.5172.169.60000111.2D505 Q506 P574 G575T503-D505 PolarHBondContact O-N 2.91Å; T503-D505 PolarHBondContact OG1-N 2.88Å; T503-Q506 WeakPolarHBondContact O-CB 3.24Å; T503-Q506 PolarHBondContact O-N 2.85Å; T503-Q506 PolarHBondContact OG1-N 3.48Å; T503-Q506 VanDerWaalsContact OG1-N 3.1Å; T503-Q506 PolarHBondContact OG1-OE1 3.45Å; T503-P574 CarbonylContact O-C 3.3Å; T503-G575 PolarHBondContact O-N 3.23Å
504G95.8Very high96.3Very high57 Ų5746 Ų4659%0.58829%0.285SS*.THydrogen-bonded Turntrans-59.7-30.7171.800000112.8P574G504-P574 VanDerWaalsContact O-CB 3.23Å; G504-P574 WeakPolarHBondContact O-CB 3.28Å
505D96.9Very high95.8Very high120 Ų12045.3 Ų45.364%0.64228%0.279SS*.THydrogen-bonded Turntrans-96.511.7-179.5-58.4-55.9000113.4T503 A507 A508 L509T503-D505 PolarHBondContact O-N 2.91Å; T503-D505 PolarHBondContact OG1-N 2.88Å; D505-A507 VanDerWaalsContact C-N 3.31Å; D505-A507 PolarHBondContact O-N 3.47Å; D505-A508 HydrophobicContact CB-CB 4.46Å; D505-A508 WeakPolarHBondContact O-CA 3.29Å; D505-A508 WeakPolarHBondContact O-CB 3.43Å; D505-A508 PolarHBondContact O-N 3.28Å; D505-L509 PolarHBondContact O-N 2.89Å
506Q98.1Very high95.3Very high7 Ų748.5 Ų48.53%0.03329%0.285CS..Hα-helixtrans-59.8-40.7-170.6-163.571.855.200112.5L354 G355 T502 T503 L509 Y510 L536 F544L354-Q506 PolarHBondContact O-NE2 2.81Å; G355-Q506 PolarHBondContact O-NE2 3.17Å; T502-Q506 HydrophobicContact CG2-CG 4.35Å; T503-Q506 WeakPolarHBondContact O-CB 3.24Å; T503-Q506 PolarHBondContact O-N 2.85Å; T503-Q506 PolarHBondContact OG1-N 3.48Å; T503-Q506 VanDerWaalsContact OG1-N 3.1Å; T503-Q506 PolarHBondContact OG1-OE1 3.45Å; Q506-L509 PolarHBondContact O-N 3.27Å; Q506-Y510 WeakPolarHBondContact O-CB 3.2Å; Q506-Y510 PolarHBondContact O-N 3.08Å; Q506-L536 HydrophobicContact CB-CD1 3.89Å; Q506-L536 HydrophobicContact CG-CD1 3.9Å; Q506-F544 HydrophobicContact CG-CE2 4.1Å; Q506-F544 HydrophobicContact CG-CZ 4.28Å
507A96.9Very high94.7Very high3 Ų350.9 Ų50.93%0.02530%0.297CS..Hα-helixtrans-68.5-37.6176.100000112.1D505 L509 Y510 R511 H520 L536 H537 P574D505-A507 VanDerWaalsContact C-N 3.31Å; D505-A507 PolarHBondContact O-N 3.47Å; A507-L509 VanDerWaalsContact C-N 3.3Å; A507-L509 PolarHBondContact O-N 3.13Å; A507-Y510 PolarHBondContact O-N 3.49Å; A507-R511 WeakPolarHBondContact O-CB 3.34Å; A507-R511 WeakPolarHBondContact O-CG 3.23Å; A507-R511 PolarHBondContact O-N 2.75Å; A507-H520 HydrophobicContact CB-CB 4.46Å; A507-H520 WeakPolarHBondContact CB-O 3.42Å; A507-L536 HydrophobicContact CB-CD1 3.89Å; A507-H537 PolarHBondContact O-CE1 2.82Å; A507-P574 HydrophobicContact CB-CG 3.78Å
508A96.8Very high94.1Very high37 Ų3750.2 Ų50.231%0.30629%0.294SS..Hα-helixtrans-66.5-31.9177.200000112.3D505 R511 I521D505-A508 HydrophobicContact CB-CB 4.46Å; D505-A508 WeakPolarHBondContact O-CA 3.29Å; D505-A508 WeakPolarHBondContact O-CB 3.43Å; D505-A508 PolarHBondContact O-N 3.28Å; A508-R511 WeakPolarHBondContact O-CG 3.23Å; A508-I521 HydrophobicContact CB-CD1 4.32Å
509L97.6Very high93.6Very high54 Ų5449.2 Ų49.228%0.28329%0.287SS..Hα-helixtrans-78.4-47.8172.9-176.859.3000112L351 L354 D505 Q506 A507 R511 L512L351-L509 HydrophobicContact CD1-CD1 3.91Å; L354-L509 HydrophobicContact CB-CD2 4.01Å; D505-L509 PolarHBondContact O-N 2.89Å; Q506-L509 PolarHBondContact O-N 3.27Å; A507-L509 VanDerWaalsContact C-N 3.3Å; A507-L509 PolarHBondContact O-N 3.13Å; L509-R511 VanDerWaalsContact C-N 3.34Å; L509-R511 PolarHBondContact O-N 2.81Å; L509-L512 HydrophobicContact CD1-CD1 4.32Å; L509-L512 WeakPolarHBondContact O-CB 3.5Å; L509-L512 PolarHBondContact O-N 3.12Å
510Y98Very high93.3Very high2 Ų246.4 Ų46.41%0.00827%0.272CS..Hα-helixtrans-60.6-41.2-176.9-178.4-91.7000112.4Y352 V356 Q506 A507 L512 S513 H537 L539 C540Y352-Y510 HydrophobicContact CD2-CE2 4.2Å; Y352-Y510 AromaticContact CE2-CE2 3.74Å; Y352-Y510 HydrophobicContact CE2-CE2 3.74Å; V356-Y510 HydrophobicContact CG1-CD2 3.79Å; V356-Y510 HydrophobicContact CG1-CE2 3.57Å; Q506-Y510 WeakPolarHBondContact O-CB 3.2Å; Q506-Y510 PolarHBondContact O-N 3.08Å; A507-Y510 PolarHBondContact O-N 3.49Å; Y510-L512 PolarHBondContact O-N 2.83Å; Y510-L512 VanDerWaalsContact O-N 3.09Å; Y510-S513 WeakPolarHBondContact O-CB 3.49Å; Y510-S513 PolarHBondContact O-N 3.06Å; Y510-S513 PolarHBondContact O-OG 3.44Å; Y510-S513 VanDerWaalsContact O-OG 3.08Å; Y510-H537 HydrophobicContact CD1-CB 3.7Å; Y510-H537 AromaticContact CD1-CD2 3.86Å; Y510-H537 AromaticContact CD1-CE1 3.92Å; Y510-H537 AromaticContact CD1-CG 3.43Å; Y510-H537 VanDerWaalsContact CD1-CG 3.43Å; Y510-H537 AromaticContact CD1-ND1 3.49Å; Y510-H537 WeakPolarHBondContact CD1-ND1 3.35Å; Y510-H537 HydrophobicContact CE1-CB 3.71Å; Y510-H537 AromaticContact CE1-CG 3.79Å; Y510-L539 HydrophobicContact CE1-CB 4.38Å; Y510-L539 WeakPolarHBondContact OH-CB 3.41Å; Y510-C540 HydrophobicContact CD1-CB 3.94Å; Y510-C540 HydrophobicContact CD2-CB 3.58Å; Y510-C540 HydrophobicContact CE1-CB 4.23Å; Y510-C540 HydrophobicContact CE2-CB 3.88Å; Y510-C540 HydrophobicContact CG-CB 3.61Å
511R95.4Very high93.3Very high42 Ų4247.9 Ų47.916%0.15828%0.281CS..G310 helixtrans-56.1-27.417964.2-171.9-56.9-86.24.2113.9A507 A508 L509 S513 G514 D515 W516A507-R511 WeakPolarHBondContact O-CB 3.34Å; A507-R511 WeakPolarHBondContact O-CG 3.23Å; A507-R511 PolarHBondContact O-N 2.75Å; A508-R511 WeakPolarHBondContact O-CG 3.23Å; L509-R511 VanDerWaalsContact C-N 3.34Å; L509-R511 PolarHBondContact O-N 2.81Å; R511-S513 PolarHBondContact O-N 3.27Å; R511-S513 VanDerWaalsContact O-N 3.1Å; R511-G514 PolarHBondContact O-N 3.47Å; R511-D515 WeakPolarHBondContact CA-O 3.41Å; R511-D515 WeakPolarHBondContact CB-O 3.37Å; R511-D515 PolarHBondContact O-N 2.93Å; R511-W516 VanDerWaalsContact NH2-CE3 3.33Å; R511-W516 PolarHBondContact NH2-O 3.45Å
512L95.1Very high93Very high78 Ų7848 Ų4841%0.40828%0.275SS..G310 helixtrans-65.1-12.8176.4-54.1179.6000112.8L351 L509 Y510 G514 W516L351-L512 HydrophobicContact CD1-CB 4.27Å; L351-L512 HydrophobicContact CD1-CD1 4.27Å; L351-L512 HydrophobicContact CD2-CB 3.81Å; L351-L512 HydrophobicContact CG-CB 4.28Å; L509-L512 HydrophobicContact CD1-CD1 4.32Å; L509-L512 WeakPolarHBondContact O-CB 3.5Å; L509-L512 PolarHBondContact O-N 3.12Å; Y510-L512 PolarHBondContact O-N 2.83Å; Y510-L512 VanDerWaalsContact O-N 3.09Å; L512-G514 VanDerWaalsContact C-N 3.26Å; L512-W516 HydrophobicContact CD2-CH2 3.61Å; L512-W516 HydrophobicContact CD2-CZ3 3.85Å
513S93.6Very high92.6Very high12 Ų1251.6 Ų51.68%0.08430%0.299CS..G310 helixtrans-75.9-10.6170.9-51.10000113.1I385 Y510 R511I385-S513 WeakPolarHBondContact CG2-O 3.41Å; Y510-S513 WeakPolarHBondContact O-CB 3.49Å; Y510-S513 PolarHBondContact O-N 3.06Å; Y510-S513 PolarHBondContact O-OG 3.44Å; Y510-S513 VanDerWaalsContact O-OG 3.08Å; R511-S513 PolarHBondContact O-N 3.27Å; R511-S513 VanDerWaalsContact O-N 3.1Å
514G85.3Confident92Very high38 Ų3850.2 Ų50.239%0.39230%0.299SS..THydrogen-bonded Turntrans134.4-1.2171.700000116.7R511 L512R511-G514 PolarHBondContact O-N 3.47Å; L512-G514 VanDerWaalsContact C-N 3.26Å
515D87.8Confident91.3Very high28 Ų2850.8 Ų50.815%0.1529%0.285CS..  trans-103.491.7178.9-169.8-19.7000111.5Q388 R511 N517 H537Q388-D515 PolarHBondContact NE2-OD2 3.35Å; R511-D515 WeakPolarHBondContact CA-O 3.41Å; R511-D515 WeakPolarHBondContact CB-O 3.37Å; R511-D515 PolarHBondContact O-N 2.93Å; D515-N517 VanDerWaalsContact C-N 3.31Å; D515-N517 PolarHBondContact O-N 3.13Å; D515-N517 WeakPolarHBondContact OD1-CB 3.28Å; D515-N517 PolarHBondContact OD1-N 3.39Å; D515-H537 VanDerWaalsContact CG-CD2 3.49Å; D515-H537 PolarHBondContact O-NE2 2.65Å; D515-H537 IonicContact OD2-CD2 3.36Å; D515-H537 PolarHBondContact OD2-CD2 2.83Å
516W87.1Confident90.5Very high142 Ų14245.1 Ų45.154%0.53826%0.255SS..  trans-85.96.9-172.2-58.198.7000114.6R511 L512R511-W516 VanDerWaalsContact NH2-CE3 3.33Å; R511-W516 PolarHBondContact NH2-O 3.45Å; L512-W516 HydrophobicContact CD2-CH2 3.61Å; L512-W516 HydrophobicContact CD2-CZ3 3.85Å
517N83.8Confident89.8Confident60 Ų6047.7 Ų47.732%0.32128%0.277SS..  trans-53.8122.4-175.5-175.2-18.4000111.7D515 L519 H520D515-N517 VanDerWaalsContact C-N 3.31Å; D515-N517 PolarHBondContact O-N 3.13Å; D515-N517 WeakPolarHBondContact OD1-CB 3.28Å; D515-N517 PolarHBondContact OD1-N 3.39Å; N517-L519 PolarHBondContact O-N 2.97Å; N517-L519 VanDerWaalsContact O-N 3.1Å; N517-L519 VanDerWaalsContact OD1-CB 3.27Å; N517-L519 WeakPolarHBondContact OD1-CB 3.3Å; N517-L519 PolarHBondContact OD1-N 3.35Å; N517-H520 PolarHBondContact O-N 3.48Å
518P85.6Confident88.7Confident54 Ų5454.7 Ų54.735%0.35131%0.311SS..G310 helixtrans-58.9-23.5-177.3-24.733.7000114.3H520 I521 D522 F525P518-H520 PolarHBondContact O-N 3.44Å; P518-I521 PolarHBondContact O-N 3.2Å; P518-D522 HydrophobicContact CB-CB 4.31Å; P518-D522 PolarHBondContact O-N 2.97Å; P518-F525 HydrophobicContact CB-CB 3.89Å; P518-F525 HydrophobicContact CB-CD1 3.92Å; P518-F525 HydrophobicContact CB-CD2 3.99Å; P518-F525 HydrophobicContact CB-CE1 4.44Å; P518-F525 HydrophobicContact CB-CG 3.66Å; P518-F525 HydrophobicContact CG-CD2 4.36Å; P518-F525 HydrophobicContact CG-CE2 4.46Å; P518-F525 HydrophobicContact CG-CG 4.45Å
519L86.4Confident87.5Confident22 Ų2254.9 Ų54.912%0.11532%0.316CS..G310 helixtrans-48.9-28.4175-175.468.5000113.7N517 F525 A526 F531 P534 I535N517-L519 PolarHBondContact O-N 2.97Å; N517-L519 VanDerWaalsContact O-N 3.1Å; N517-L519 VanDerWaalsContact OD1-CB 3.27Å; N517-L519 WeakPolarHBondContact OD1-CB 3.3Å; N517-L519 PolarHBondContact OD1-N 3.35Å; L519-F525 HydrophobicContact CB-CD1 4.17Å; L519-F525 HydrophobicContact CB-CE1 4.4Å; L519-A526 HydrophobicContact CD1-CB 4.32Å; L519-F531 HydrophobicContact CD1-CD2 3.43Å; L519-F531 VanDerWaalsContact CD1-CD2 3.43Å; L519-F531 HydrophobicContact CD1-CE2 3.68Å; L519-F531 HydrophobicContact CD2-CE2 4.11Å; L519-F531 HydrophobicContact CG-CD2 4.42Å; L519-F531 HydrophobicContact CG-CE2 4.41Å; L519-P534 WeakPolarHBondContact O-CA 3.28Å; L519-I535 HydrophobicContact CD2-CD1 4.05Å; L519-I535 HydrophobicContact CD2-CG1 4.32Å; L519-I535 HydrophobicContact CG-CD1 4.46Å; L519-I535 HydrophobicContact CG-CG1 4.25Å
520H93.3Very high86.7Confident17 Ų1755.6 Ų55.68%0.07934%0.337CS..G310 helixtrans-95.2-0.2-175.1-59.6-59.3000114.5A507 N517 P518 I535 H537A507-H520 HydrophobicContact CB-CB 4.46Å; A507-H520 WeakPolarHBondContact CB-O 3.42Å; N517-H520 PolarHBondContact O-N 3.48Å; P518-H520 PolarHBondContact O-N 3.44Å; H520-I535 WeakPolarHBondContact CA-O 3.34Å; H520-I535 PolarHBondContact ND1-O 2.77Å; H520-H537 WeakPolarHBondContact CB-CE1 3.3Å; H520-H537 AromaticContact CD2-CD2 3.13Å; H520-H537 PolarHBondContact CD2-CD2 2.89Å; H520-H537 AromaticContact CD2-CE1 3.71Å; H520-H537 AromaticContact CD2-CG 3.74Å; H520-H537 AromaticContact CD2-NE2 3.13Å; H520-H537 PolarHBondContact CD2-NE2 3.49Å; H520-H537 AromaticContact CG-CD2 3.59Å; H520-H537 AromaticContact CG-CE1 3.45Å; H520-H537 VanDerWaalsContact CG-CE1 3.45Å; H520-H537 AromaticContact CG-CG 3.78Å; H520-H537 AromaticContact CG-ND1 3.72Å; H520-H537 AromaticContact CG-NE2 3.4Å; H520-H537 AromaticContact ND1-CG 3.95Å; H520-H537 AromaticContact NE2-CD2 3.46Å; H520-H537 PolarHBondContact NE2-CD2 2.79Å; H520-H537 AromaticContact NE2-CG 3.89Å; H520-H537 AromaticContact NE2-NE2 3.96Å
521I94.4Very high86.1Confident79 Ų7957.7 Ų57.741%0.40535%0.346SS..THydrogen-bonded Turntrans-143.5-32.9-178.2-166.8162.1000114.4A508 P518 P523A508-I521 HydrophobicContact CB-CD1 4.32Å; P518-I521 PolarHBondContact O-N 3.2Å; I521-P523 WeakPolarHBondContact O-CD 3.3Å
522D90.9Very high85.9Confident76 Ų7665.3 Ų65.341%0.40638%0.375SS..  trans-96.5116.1-177178.84.7000111.1P518 G524 F525 A526P518-D522 HydrophobicContact CB-CB 4.31Å; P518-D522 PolarHBondContact O-N 2.97Å; D522-G524 VanDerWaalsContact C-N 3.29Å; D522-G524 PolarHBondContact O-N 3.24Å; D522-G524 PolarHBondContact OD1-N 3.03Å; D522-F525 HydrophobicContact CB-CB 4.07Å; D522-F525 PolarHBondContact O-N 3.46Å; D522-A526 WeakPolarHBondContact O-CB 3.37Å; D522-A526 PolarHBondContact O-N 3.19Å
523P90.1Very high85.7Confident84 Ų8463.2 Ų63.255%0.54537%0.369SS..Hα-helixtrans-59.1-34.8176.3-23.634.5000114.3I521 A526 A527 P534I521-P523 WeakPolarHBondContact O-CD 3.3Å; P523-A526 PolarHBondContact O-N 3.16Å; P523-A527 WeakPolarHBondContact O-CB 3.33Å; P523-A527 PolarHBondContact O-N 3.1Å; P523-P534 HydrophobicContact CG-CG 4.14Å
524G83.3Confident85.8Confident42 Ų4264 Ų6443%0.43337%0.374SS..Hα-helixtrans-65.5-48179.900000111.3D522 A527 M528D522-G524 VanDerWaalsContact C-N 3.29Å; D522-G524 PolarHBondContact O-N 3.24Å; D522-G524 PolarHBondContact OD1-N 3.03Å; G524-A527 PolarHBondContact O-N 2.74Å; G524-M528 WeakPolarHBondContact O-CG 3.18Å; G524-M528 PolarHBondContact O-N 2.84Å
525F80.3Confident86.3Confident70 Ų7062.9 Ų62.931%0.30736%0.359SS..Hα-helixtrans-66.7-39.5176.1-160-85.1000112.5P518 L519 D522 A527 M528 G529P518-F525 HydrophobicContact CB-CB 3.89Å; P518-F525 HydrophobicContact CB-CD1 3.92Å; P518-F525 HydrophobicContact CB-CD2 3.99Å; P518-F525 HydrophobicContact CB-CE1 4.44Å; P518-F525 HydrophobicContact CB-CG 3.66Å; P518-F525 HydrophobicContact CG-CD2 4.36Å; P518-F525 HydrophobicContact CG-CE2 4.46Å; P518-F525 HydrophobicContact CG-CG 4.45Å; L519-F525 HydrophobicContact CB-CD1 4.17Å; L519-F525 HydrophobicContact CB-CE1 4.4Å; D522-F525 HydrophobicContact CB-CB 4.07Å; D522-F525 PolarHBondContact O-N 3.46Å; F525-A527 VanDerWaalsContact C-N 3.3Å; F525-A527 PolarHBondContact O-N 3.3Å; F525-M528 WeakPolarHBondContact O-CB 3.43Å; F525-M528 PolarHBondContact O-N 2.78Å; F525-G529 PolarHBondContact O-N 3.3Å
526A81.9Confident86.7Confident0 Ų061.8 Ų61.80%035%0.353CS..Hα-helixtrans-59.8-40.4175.300000112.3L519 D522 P523 G529 G530 F531 P534L519-A526 HydrophobicContact CD1-CB 4.32Å; D522-A526 WeakPolarHBondContact O-CB 3.37Å; D522-A526 PolarHBondContact O-N 3.19Å; P523-A526 PolarHBondContact O-N 3.16Å; A526-G529 CarbonylContact O-C 3.41Å; A526-G529 PolarHBondContact O-N 3.3Å; A526-G530 PolarHBondContact O-N 2.91Å; A526-F531 CarbonylContact C-O 3.44Å; A526-F531 HydrophobicContact CB-CB 4.43Å; A526-F531 WeakPolarHBondContact O-CB 3.45Å; A526-F531 PolarHBondContact O-N 2.73Å; A526-P534 HydrophobicContact CB-CG 4.37Å
527A81.8Confident87.1Confident61 Ų6155.1 Ų55.150%0.50433%0.328SS..Hα-helixtrans-64-38.4175.800000112.5P523 G524 F525 G529 G530 F531P523-A527 WeakPolarHBondContact O-CB 3.33Å; P523-A527 PolarHBondContact O-N 3.1Å; G524-A527 PolarHBondContact O-N 2.74Å; F525-A527 VanDerWaalsContact C-N 3.3Å; F525-A527 PolarHBondContact O-N 3.3Å; A527-G529 VanDerWaalsContact C-N 3.27Å; A527-G529 PolarHBondContact O-N 2.82Å; A527-G530 PolarHBondContact O-N 2.79Å; A527-F531 WeakPolarHBondContact CA-O 3.34Å; A527-F531 PolarHBondContact N-O 3.23Å
528M74.5Confident87.7Confident151 Ų15153.6 Ų53.674%0.74433%0.327SS*.Hα-helixtrans-61.2-36.1173.9-66.6173.861.300112.3G524 F525 G530G524-M528 WeakPolarHBondContact O-CG 3.18Å; G524-M528 PolarHBondContact O-N 2.84Å; F525-M528 WeakPolarHBondContact O-CB 3.43Å; F525-M528 PolarHBondContact O-N 2.78Å; M528-G530 PolarHBondContact O-N 2.79Å
529G71.3Confident88.2Confident40 Ų4051.2 Ų51.241%0.41231%0.311SS..THydrogen-bonded Turntrans-762.9172.900000114.7F525 A526 A527 F531F525-G529 PolarHBondContact O-N 3.3Å; A526-G529 CarbonylContact O-C 3.41Å; A526-G529 PolarHBondContact O-N 3.3Å; A527-G529 VanDerWaalsContact C-N 3.27Å; A527-G529 PolarHBondContact O-N 2.82Å; G529-F531 WeakPolarHBondContact O-CD2 3.27Å; G529-F531 WeakPolarHBondContact O-CE2 3.5Å
530G80.9Confident88.8Confident70 Ų7050.1 Ų50.172%0.72231%0.305SS*.THydrogen-bonded Turntrans82.914.5179.800000114.9A526 A527 M528A526-G530 PolarHBondContact O-N 2.91Å; A527-G530 PolarHBondContact O-N 2.79Å; M528-G530 PolarHBondContact O-N 2.79Å
531F85.3Confident89Confident45 Ų4549.5 Ų49.520%0.19730%0.302CS..  trans-101140.5178.5-56.5-80000111.7L519 A526 A527 G529 A533 I535 P571L519-F531 HydrophobicContact CD1-CD2 3.43Å; L519-F531 VanDerWaalsContact CD1-CD2 3.43Å; L519-F531 HydrophobicContact CD1-CE2 3.68Å; L519-F531 HydrophobicContact CD2-CE2 4.11Å; L519-F531 HydrophobicContact CG-CD2 4.42Å; L519-F531 HydrophobicContact CG-CE2 4.41Å; A526-F531 CarbonylContact C-O 3.44Å; A526-F531 HydrophobicContact CB-CB 4.43Å; A526-F531 WeakPolarHBondContact O-CB 3.45Å; A526-F531 PolarHBondContact O-N 2.73Å; A527-F531 WeakPolarHBondContact CA-O 3.34Å; A527-F531 PolarHBondContact N-O 3.23Å; G529-F531 WeakPolarHBondContact O-CD2 3.27Å; G529-F531 WeakPolarHBondContact O-CE2 3.5Å; F531-A533 PolarHBondContact O-N 2.68Å; F531-I535 HydrophobicContact CB-CG2 4.16Å; F531-I535 HydrophobicContact CD1-CD1 4.26Å; F531-I535 HydrophobicContact CD1-CG2 3.72Å; F531-I535 HydrophobicContact CD2-CD1 4.5Å; F531-I535 HydrophobicContact CE1-CD1 3.9Å; F531-I535 HydrophobicContact CE1-CG2 4.33Å; F531-I535 HydrophobicContact CE2-CD1 4.15Å; F531-I535 HydrophobicContact CG-CG2 3.97Å; F531-I535 HydrophobicContact CZ-CD1 3.83Å; F531-P571 HydrophobicContact CD1-CB 4.36Å; F531-P571 HydrophobicContact CD1-CG 4.37Å; F531-P571 HydrophobicContact CE1-CB 4.09Å; F531-P571 HydrophobicContact CE1-CG 4.14Å
532R90.6Very high89.2Confident202 Ų20245.8 Ų45.876%0.76228%0.283SS*.SBendtrans-69.5-16.5179.867.2179.2-179.9179.60.8114.8F573R532-F573 HydrophobicContact CG-CE1 3.9Å; R532-F573 HydrophobicContact CG-CZ 3.79Å
533A92.8Very high89.5Confident35 Ų3542.1 Ų42.129%0.28926%0.264SS..SBendtrans-164.9164.4-178.300000108.5F531 I535 F573F531-A533 PolarHBondContact O-N 2.68Å; A533-I535 PolarHBondContact O-N 2.93Å; A533-F573 HydrophobicContact CB-CD1 4.07Å; A533-F573 HydrophobicContact CB-CE1 3.95Å
534P95Very high89.9Confident27 Ų2738.2 Ų38.218%0.17524%0.238CC..PPolyproline II helixtrans-55133172.7-25.835.8000112L519 P523 A526L519-P534 WeakPolarHBondContact O-CA 3.28Å; P523-P534 HydrophobicContact CG-CG 4.14Å; A526-P534 HydrophobicContact CB-CG 4.37Å
535I95.4Very high90.6Very high16 Ų1636.2 Ų36.28%0.08222%0.218CC..PPolyproline II helixtrans-98.9155.5-179.362.8171.5000110.5L519 H520 F531 A533 P571 V572 F573L519-I535 HydrophobicContact CD2-CD1 4.05Å; L519-I535 HydrophobicContact CD2-CG1 4.32Å; L519-I535 HydrophobicContact CG-CD1 4.46Å; L519-I535 HydrophobicContact CG-CG1 4.25Å; H520-I535 WeakPolarHBondContact CA-O 3.34Å; H520-I535 PolarHBondContact ND1-O 2.77Å; F531-I535 HydrophobicContact CB-CG2 4.16Å; F531-I535 HydrophobicContact CD1-CD1 4.26Å; F531-I535 HydrophobicContact CD1-CG2 3.72Å; F531-I535 HydrophobicContact CD2-CD1 4.5Å; F531-I535 HydrophobicContact CE1-CD1 3.9Å; F531-I535 HydrophobicContact CE1-CG2 4.33Å; F531-I535 HydrophobicContact CE2-CD1 4.15Å; F531-I535 HydrophobicContact CG-CG2 3.97Å; F531-I535 HydrophobicContact CZ-CD1 3.83Å; A533-I535 PolarHBondContact O-N 2.93Å; I535-P571 HydrophobicContact CB-CB 4.22Å; I535-P571 HydrophobicContact CD1-CB 4.16Å; I535-P571 HydrophobicContact CG2-CB 3.75Å; I535-V572 CarbonylContact C-O 3.59Å; I535-F573 HydrophobicContact CG2-CD1 4.2Å; I535-F573 HydrophobicContact CG2-CE1 3.76Å; I535-F573 HydrophobicContact CG2-CZ 4.08Å
536L96.9Very high91.4Very high5 Ų532.9 Ų32.93%0.02620%0.203CC..PPolyproline II helixtrans-69.9143.2170.6-169.865.3000110.2T502 Q506 A507 G538 C540 V572 P574T502-L536 HydrophobicContact CG2-CD2 3.89Å; Q506-L536 HydrophobicContact CB-CD1 3.89Å; Q506-L536 HydrophobicContact CG-CD1 3.9Å; A507-L536 HydrophobicContact CB-CD1 3.89Å; L536-G538 PolarHBondContact O-N 2.82Å; L536-C540 HydrophobicContact CD1-CB 4.08Å; L536-C540 HydrophobicContact CD2-CB 4.37Å; L536-C540 HydrophobicContact CG-CB 3.97Å; L536-V572 HydrophobicContact CB-CB 4.19Å; L536-V572 HydrophobicContact CB-CG1 4.37Å; L536-V572 WeakPolarHBondContact CB-O 3.11Å; L536-V572 HydrophobicContact CD2-CB 4.45Å; L536-V572 HydrophobicContact CD2-CG1 4.06Å; L536-V572 PolarHBondContact N-O 2.82Å; L536-P574 HydrophobicContact CB-CG 4.41Å; L536-P574 HydrophobicContact CD1-CG 4.46Å
537H95.6Very high92.1Very high1 Ų133.8 Ų33.81%0.00521%0.207CC..PPolyproline II helixtrans-57.5135.5173.9-53.873.1000110.7A507 Y510 D515 H520 L539 C540 S541A507-H537 PolarHBondContact O-CE1 2.82Å; Y510-H537 HydrophobicContact CD1-CB 3.7Å; Y510-H537 AromaticContact CD1-CD2 3.86Å; Y510-H537 AromaticContact CD1-CE1 3.92Å; Y510-H537 AromaticContact CD1-CG 3.43Å; Y510-H537 VanDerWaalsContact CD1-CG 3.43Å; Y510-H537 AromaticContact CD1-ND1 3.49Å; Y510-H537 WeakPolarHBondContact CD1-ND1 3.35Å; Y510-H537 HydrophobicContact CE1-CB 3.71Å; Y510-H537 AromaticContact CE1-CG 3.79Å; D515-H537 VanDerWaalsContact CG-CD2 3.49Å; D515-H537 PolarHBondContact O-NE2 2.65Å; D515-H537 IonicContact OD2-CD2 3.36Å; D515-H537 PolarHBondContact OD2-CD2 2.83Å; H520-H537 WeakPolarHBondContact CB-CE1 3.3Å; H520-H537 AromaticContact CD2-CD2 3.13Å; H520-H537 PolarHBondContact CD2-CD2 2.89Å; H520-H537 AromaticContact CD2-CE1 3.71Å; H520-H537 AromaticContact CD2-CG 3.74Å; H520-H537 AromaticContact CD2-NE2 3.13Å; H520-H537 PolarHBondContact CD2-NE2 3.49Å; H520-H537 AromaticContact CG-CD2 3.59Å; H520-H537 AromaticContact CG-CE1 3.45Å; H520-H537 VanDerWaalsContact CG-CE1 3.45Å; H520-H537 AromaticContact CG-CG 3.78Å; H520-H537 AromaticContact CG-ND1 3.72Å; H520-H537 AromaticContact CG-NE2 3.4Å; H520-H537 AromaticContact ND1-CG 3.95Å; H520-H537 AromaticContact NE2-CD2 3.46Å; H520-H537 PolarHBondContact NE2-CD2 2.79Å; H520-H537 AromaticContact NE2-CG 3.89Å; H520-H537 AromaticContact NE2-NE2 3.96Å; H537-L539 PolarHBondContact O-N 2.99Å; H537-C540 HydrophobicContact CB-CB 3.98Å; H537-C540 VanDerWaalsContact O-CB 3.27Å; H537-C540 WeakPolarHBondContact O-CB 3.34Å; H537-C540 PolarHBondContact O-N 2.87Å; H537-S541 PolarHBondContact O-N 2.85Å
538G95.4Very high92.9Very high29 Ų2931.1 Ų31.130%0.29918%0.184SC..Hα-helixtrans-56.7-41.5173.600000111.6L536 C540 S541 F542 F568L536-G538 PolarHBondContact O-N 2.82Å; G538-C540 VanDerWaalsContact C-N 3.26Å; G538-C540 PolarHBondContact O-N 3.43Å; G538-S541 PolarHBondContact O-N 2.93Å; G538-S541 VanDerWaalsContact O-N 3.16Å; G538-F542 WeakPolarHBondContact O-CB 3.43Å; G538-F542 PolarHBondContact O-N 2.83Å; G538-F568 WeakPolarHBondContact O-CE1 3.46Å
539L96.8Very high94Very high3 Ų323.9 Ų23.92%0.01615%0.148CC..Hα-helixtrans-65.3-24.7176.6-70.6174.5000113.9V384 Q414 Y510 H537 F542 G543 F568V384-L539 HydrophobicContact CG1-CD1 3.66Å; V384-L539 HydrophobicContact CG1-CD2 3.84Å; V384-L539 HydrophobicContact CG1-CG 4.4Å; V384-L539 HydrophobicContact CG2-CD2 4.47Å; Q414-L539 HydrophobicContact CB-CD2 4.17Å; Q414-L539 HydrophobicContact CG-CD2 3.84Å; Y510-L539 HydrophobicContact CE1-CB 4.38Å; Y510-L539 WeakPolarHBondContact OH-CB 3.41Å; H537-L539 PolarHBondContact O-N 2.99Å; L539-F542 HydrophobicContact CD2-CD1 4.21Å; L539-F542 HydrophobicContact CD2-CG 4.45Å; L539-F542 WeakPolarHBondContact O-CB 3.45Å; L539-G543 PolarHBondContact O-N 3.05Å; L539-F568 HydrophobicContact CD2-CZ 4.01Å; L539-F568 HydrophobicContact CG-CZ 4.44Å
540C97.8Very high95.1Very high0 Ų022.1 Ų22.10%013%0.129CC..Hα-helixtrans-68-51.6170.1-1790000110.1G355 Y510 L536 H537 G538 F542 G543 F544G355-C540 PolarHBondContact O-SG 2.81Å; Y510-C540 HydrophobicContact CD1-CB 3.94Å; Y510-C540 HydrophobicContact CD2-CB 3.58Å; Y510-C540 HydrophobicContact CE1-CB 4.23Å; Y510-C540 HydrophobicContact CE2-CB 3.88Å; Y510-C540 HydrophobicContact CG-CB 3.61Å; L536-C540 HydrophobicContact CD1-CB 4.08Å; L536-C540 HydrophobicContact CD2-CB 4.37Å; L536-C540 HydrophobicContact CG-CB 3.97Å; H537-C540 HydrophobicContact CB-CB 3.98Å; H537-C540 VanDerWaalsContact O-CB 3.27Å; H537-C540 WeakPolarHBondContact O-CB 3.34Å; H537-C540 PolarHBondContact O-N 2.87Å; G538-C540 VanDerWaalsContact C-N 3.26Å; G538-C540 PolarHBondContact O-N 3.43Å; C540-F542 PolarHBondContact O-N 2.88Å; C540-G543 WeakPolarHBondContact O-CA 3.19Å; C540-G543 PolarHBondContact O-N 2.93Å; C540-F544 WeakPolarHBondContact O-CD2 3.27Å; C540-F544 PolarHBondContact O-N 2.97Å
541S97.9Very high95.7Very high3 Ų323.5 Ų23.52%0.02112%0.116CC..Hα-helixtrans-58.9-35.1176.6-61.20000112.4H537 G538 F544 A545H537-S541 PolarHBondContact O-N 2.85Å; G538-S541 PolarHBondContact O-N 2.93Å; G538-S541 VanDerWaalsContact O-N 3.16Å; S541-F544 PolarHBondContact O-N 3.06Å; S541-A545 PolarHBondContact O-N 3.24Å
542F98.1Very high96.2Very high1 Ų128.4 Ų28.40%0.00413%0.133CC..Hα-helixtrans-60.6-44.5171.5162.9-93.2000112.7T381 V384 Q414 L416 G538 L539 C540 A545 A546 I564 V566 F568T381-F542 HydrophobicContact CG2-CD1 4Å; T381-F542 HydrophobicContact CG2-CE1 3.42Å; T381-F542 VanDerWaalsContact CG2-CE1 3.42Å; T381-F542 HydrophobicContact CG2-CZ 3.95Å; V384-F542 HydrophobicContact CG2-CE1 3.76Å; V384-F542 HydrophobicContact CG2-CZ 4.07Å; Q414-F542 HydrophobicContact CB-CE2 4.47Å; Q414-F542 HydrophobicContact CG-CE2 4.05Å; Q414-F542 HydrophobicContact CG-CZ 4.1Å; L416-F542 HydrophobicContact CB-CZ 4.3Å; L416-F542 HydrophobicContact CD2-CZ 4.47Å; G538-F542 WeakPolarHBondContact O-CB 3.43Å; G538-F542 PolarHBondContact O-N 2.83Å; L539-F542 HydrophobicContact CD2-CD1 4.21Å; L539-F542 HydrophobicContact CD2-CG 4.45Å; L539-F542 WeakPolarHBondContact O-CB 3.45Å; C540-F542 PolarHBondContact O-N 2.88Å; F542-A545 PolarHBondContact O-N 2.93Å; F542-A546 PolarHBondContact O-N 3.16Å; F542-I564 HydrophobicContact CD2-CD1 3.7Å; F542-I564 HydrophobicContact CD2-CG1 4.16Å; F542-I564 HydrophobicContact CD2-CG2 4.49Å; F542-I564 HydrophobicContact CE1-CG2 4.33Å; F542-I564 HydrophobicContact CE2-CB 4.07Å; F542-I564 HydrophobicContact CE2-CD1 3.5Å; F542-I564 VanDerWaalsContact CE2-CD1 3.5Å; F542-I564 HydrophobicContact CE2-CG1 3.61Å; F542-I564 HydrophobicContact CE2-CG2 3.3Å; F542-I564 HydrophobicContact CG-CD1 4.49Å; F542-I564 HydrophobicContact CZ-CB 4.36Å; F542-I564 HydrophobicContact CZ-CD1 4.11Å; F542-I564 HydrophobicContact CZ-CG1 4.32Å; F542-I564 HydrophobicContact CZ-CG2 3.19Å; F542-V566 HydrophobicContact CB-CG2 4.48Å; F542-V566 HydrophobicContact CD2-CB 4.42Å; F542-V566 HydrophobicContact CD2-CG1 3.95Å; F542-V566 HydrophobicContact CD2-CG2 3.57Å; F542-V566 HydrophobicContact CE2-CG2 4.23Å; F542-V566 HydrophobicContact CG-CG2 4.48Å; F542-F568 HydrophobicContact CB-CE1 4.21Å
543G97.9Very high96.5Very high0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-62.3-42175.100000113L539 C540 A546 R547L539-G543 PolarHBondContact O-N 3.05Å; C540-G543 WeakPolarHBondContact O-CA 3.19Å; C540-G543 PolarHBondContact O-N 2.93Å; G543-A546 PolarHBondContact O-N 3.25Å; G543-R547 WeakPolarHBondContact O-CB 3.34Å; G543-R547 PolarHBondContact O-N 2.99Å
544F98.3Very high96.5Very high1 Ų119.6 Ų19.60%0.0049%0.094CC..Hα-helixtrans-58.5-49.5172.4-86.4-95.9000111.6V356 G357 E500 T502 Q506 C540 S541 A546 R547 H548 L578V356-F544 HydrophobicContact CB-CD2 4.47Å; V356-F544 VanDerWaalsContact O-CD2 3.25Å; V356-F544 WeakPolarHBondContact O-CD2 3.43Å; V356-F544 VanDerWaalsContact O-CE2 3.27Å; V356-F544 WeakPolarHBondContact O-CE2 3.25Å; V356-F544 WeakPolarHBondContact O-CG 3.49Å; V356-F544 WeakPolarHBondContact O-CZ 3.42Å; G357-F544 VanDerWaalsContact CA-CZ 3.41Å; E500-F544 HydrophobicContact CB-CD1 4.48Å; E500-F544 HydrophobicContact CG-CD1 4.32Å; E500-F544 HydrophobicContact CG-CE1 4.05Å; E500-F544 VanDerWaalsContact OE1-CE1 3.25Å; E500-F544 WeakPolarHBondContact OE1-CE1 3.42Å; T502-F544 HydrophobicContact CG2-CE1 4.36Å; T502-F544 HydrophobicContact CG2-CE2 4.18Å; T502-F544 HydrophobicContact CG2-CZ 3.95Å; Q506-F544 HydrophobicContact CG-CE2 4.1Å; Q506-F544 HydrophobicContact CG-CZ 4.28Å; C540-F544 WeakPolarHBondContact O-CD2 3.27Å; C540-F544 PolarHBondContact O-N 2.97Å; S541-F544 PolarHBondContact O-N 3.06Å; F544-A546 VanDerWaalsContact C-N 3.35Å; F544-A546 PolarHBondContact O-N 3.32Å; F544-R547 WeakPolarHBondContact O-CB 3.35Å; F544-R547 PolarHBondContact O-N 3.26Å; F544-H548 PolarHBondContact O-CD2 3Å; F544-H548 PolarHBondContact O-N 3.12Å; F544-H548 PolarHBondContact O-ND1 3.3Å; F544-L578 HydrophobicContact CB-CD1 3.71Å; F544-L578 HydrophobicContact CD1-CD1 4.17Å; F544-L578 HydrophobicContact CD2-CD1 4.06Å; F544-L578 HydrophobicContact CG-CD1 3.74Å
545A98Very high96.3Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-62.5-40.7-179.500000112.4S541 F542 H548 V549 T580 I591 L603S541-A545 PolarHBondContact O-N 3.24Å; F542-A545 PolarHBondContact O-N 2.93Å; A545-H548 PolarHBondContact O-N 3.47Å; A545-V549 PolarHBondContact O-N 3.27Å; A545-T580 HydrophobicContact CB-CG2 4.18Å; A545-I591 HydrophobicContact CB-CD1 4.01Å; A545-L603 HydrophobicContact CB-CD1 3.82Å
546A97.8Very high96.2Very high1 Ų123.9 Ų23.91%0.00812%0.115CC..Hα-helixtrans-63.6-41.9175.300000112.2T381 F542 G543 F544 H548 V549 L550 I564T381-A546 HydrophobicContact CG2-CB 3.34Å; F542-A546 PolarHBondContact O-N 3.16Å; G543-A546 PolarHBondContact O-N 3.25Å; F544-A546 VanDerWaalsContact C-N 3.35Å; F544-A546 PolarHBondContact O-N 3.32Å; A546-H548 PolarHBondContact O-N 3Å; A546-V549 PolarHBondContact O-N 3.26Å; A546-L550 WeakPolarHBondContact O-CG 3.29Å; A546-L550 PolarHBondContact O-N 3.36Å; A546-I564 HydrophobicContact CB-CD1 3.79Å
547R96.8Very high96Very high18 Ų1826 Ų267%0.06813%0.127CC..Hα-helixtrans-57.3-46.3173.1-93.717859.8-127.8-3.7112.4V356 G357 M358 L379 E500 G543 F544 V549 L550 K551V356-R547 PolarHBondContact O-NH1 2.95Å; G357-R547 PolarHBondContact O-NH1 3.33Å; G357-R547 PolarHBondContact O-NH2 2.84Å; M358-R547 HydrophobicContact CE-CG 3.48Å; M358-R547 VanDerWaalsContact CE-CG 3.48Å; M358-R547 HydrophobicContact SD-CG 4.39Å; M358-R547 PolarHBondContact SD-NE 3.28Å; L379-R547 HydrophobicContact CD1-CG 4.25Å; L379-R547 HydrophobicContact CD2-CG 4.29Å; E500-R547 IonicContact OE1-CZ 3.56Å; E500-R547 IonicContact OE1-NH1 3.2Å; E500-R547 PolarHBondContact OE1-NH1 3.42Å; E500-R547 IonicContact OE1-NH2 2.74Å; E500-R547 PolarHBondContact OE1-NH2 2.9Å; E500-R547 IonicContact OE2-CZ 3.58Å; E500-R547 IonicContact OE2-NH1 2.72Å; E500-R547 IonicContact OE2-NH2 3.36Å; E500-R547 PolarHBondContact OE2-NH2 2.85Å; G543-R547 WeakPolarHBondContact O-CB 3.34Å; G543-R547 PolarHBondContact O-N 2.99Å; F544-R547 WeakPolarHBondContact O-CB 3.35Å; F544-R547 PolarHBondContact O-N 3.26Å; R547-V549 VanDerWaalsContact C-N 3.27Å; R547-V549 PolarHBondContact O-N 2.88Å; R547-L550 PolarHBondContact O-N 3.39Å; R547-K551 WeakPolarHBondContact O-CB 3.27Å; R547-K551 PolarHBondContact O-N 3.46Å
548H97.4Very high95.9Very high5 Ų526.4 Ų26.42%0.02313%0.129CC..Hα-helixtrans-59.7-40.7179-61.5161.3000111.4V498 E500 F544 A545 A546 R552 T580 M582V498-H548 HydrophobicContact CB-CB 4.1Å; V498-H548 HydrophobicContact CG1-CB 4.27Å; V498-H548 VanDerWaalsContact CG1-CD2 3.48Å; V498-H548 WeakPolarHBondContact CG1-CD2 3.5Å; V498-H548 HydrophobicContact CG2-CB 4.38Å; E500-H548 WeakPolarHBondContact CB-NE2 3.36Å; E500-H548 IonicContact OE2-CD2 3.65Å; E500-H548 IonicContact OE2-NE2 2.67Å; E500-H548 PolarHBondContact OE2-NE2 2.78Å; F544-H548 PolarHBondContact O-CD2 3Å; F544-H548 PolarHBondContact O-N 3.12Å; F544-H548 PolarHBondContact O-ND1 3.3Å; A545-H548 PolarHBondContact O-N 3.47Å; A546-H548 PolarHBondContact O-N 3Å; H548-R552 WeakPolarHBondContact O-CB 3.18Å; H548-R552 PolarHBondContact O-N 3.13Å; H548-T580 HydrophobicContact CB-CG2 4.28Å; H548-T580 VanDerWaalsContact ND1-CB 3.28Å; H548-T580 WeakPolarHBondContact ND1-CB 3.28Å; H548-T580 PolarHBondContact ND1-OG1 2.96Å; H548-M582 HydrophobicContact CB-CE 4.29Å; H548-M582 HydrophobicContact CB-SD 4.26Å
549V97.8Very high95.7Very high0 Ų027.5 Ų27.50%014%0.136CC..Hα-helixtrans-66.5-47.8174.6175.20000111.7A545 A546 R547 K551 R552 F553 M582 I589 I591 V608A545-V549 PolarHBondContact O-N 3.27Å; A546-V549 PolarHBondContact O-N 3.26Å; R547-V549 VanDerWaalsContact C-N 3.27Å; R547-V549 PolarHBondContact O-N 2.88Å; V549-K551 VanDerWaalsContact C-N 3.32Å; V549-K551 PolarHBondContact O-N 3.15Å; V549-R552 PolarHBondContact O-N 3.26Å; V549-F553 HydrophobicContact CG1-CD2 4.18Å; V549-F553 PolarHBondContact O-N 3.46Å; V549-M582 HydrophobicContact CB-SD 4.45Å; V549-M582 HydrophobicContact CG2-CG 4.22Å; V549-M582 HydrophobicContact CG2-SD 3.75Å; V549-I589 HydrophobicContact CG1-CB 4.03Å; V549-I589 HydrophobicContact CG1-CG1 3.88Å; V549-I589 HydrophobicContact CG1-CG2 4.22Å; V549-I589 HydrophobicContact CG2-CG2 4.1Å; V549-I591 HydrophobicContact CG2-CG2 3.5Å; V549-V608 HydrophobicContact CB-CB 4.41Å; V549-V608 HydrophobicContact CB-CG2 4.18Å; V549-V608 HydrophobicContact CG1-CB 3.89Å; V549-V608 HydrophobicContact CG1-CG1 3.84Å; V549-V608 HydrophobicContact CG1-CG2 4.21Å; V549-V608 HydrophobicContact CG2-CB 4.35Å; V549-V608 HydrophobicContact CG2-CG2 3.92Å
550L95.1Very high95.6Very high3 Ų330.1 Ų30.12%0.01615%0.147CC..Hα-helixtrans-58.3-46.1179.4-78.6174.1000111.6L379 P380 A546 R547 R552 A554 N555 N556 F561L379-L550 HydrophobicContact CD2-CD1 4.43Å; P380-L550 HydrophobicContact CG-CD1 3.98Å; A546-L550 WeakPolarHBondContact O-CG 3.29Å; A546-L550 PolarHBondContact O-N 3.36Å; R547-L550 PolarHBondContact O-N 3.39Å; L550-R552 PolarHBondContact O-N 3.48Å; L550-A554 HydrophobicContact CD2-CB 3.88Å; L550-A554 CarbonylContact O-C 3.58Å; L550-A554 VanDerWaalsContact O-C 3.3Å; L550-A554 VanDerWaalsContact O-CA 3.29Å; L550-A554 WeakPolarHBondContact O-CA 3.33Å; L550-A554 WeakPolarHBondContact O-CB 3.4Å; L550-A554 PolarHBondContact O-N 3.13Å; L550-N555 PolarHBondContact O-N 3.37Å; L550-N555 VanDerWaalsContact O-N 3.11Å; L550-N556 PolarHBondContact O-N 3.06Å; L550-F561 HydrophobicContact CD2-CB 4.16Å; L550-F561 HydrophobicContact CD2-CD2 4.21Å; L550-F561 HydrophobicContact CG-CD2 4.48Å
551K93.9Very high95.6Very high99 Ų9930.3 Ų30.343%0.4315%0.148SC..Hα-helixtrans-61.9-45177-174.7167.9-177164.70111.3D362 R547 V549 N556D362-K551 IonicContact OD1-NZ 2.84Å; D362-K551 PolarHBondContact OD1-NZ 3.48Å; D362-K551 IonicContact OD2-NZ 3Å; D362-K551 PolarHBondContact OD2-NZ 2.81Å; R547-K551 WeakPolarHBondContact O-CB 3.27Å; R547-K551 PolarHBondContact O-N 3.46Å; V549-K551 VanDerWaalsContact C-N 3.32Å; V549-K551 PolarHBondContact O-N 3.15Å; K551-N556 VanDerWaalsContact CA-OD1 3.23Å; K551-N556 WeakPolarHBondContact CA-OD1 3.4Å; K551-N556 WeakPolarHBondContact CB-OD1 3.34Å; K551-N556 PolarHBondContact N-OD1 2.75Å
552R95.7Very high95.6Very high148 Ų14833.9 Ų33.956%0.55816%0.163SC*.Hα-helixtrans-79.8-36.5-172.4-172.958176.6146.3-1.6114.4A496 H548 V549 L550 M582A496-R552 HydrophobicContact CB-CG 3.71Å; H548-R552 WeakPolarHBondContact O-CB 3.18Å; H548-R552 PolarHBondContact O-N 3.13Å; V549-R552 PolarHBondContact O-N 3.26Å; L550-R552 PolarHBondContact O-N 3.48Å; R552-M582 HydrophobicContact CB-CE 4.31Å; R552-M582 HydrophobicContact CB-SD 4.42Å; R552-M582 HydrophobicContact CG-CE 4.4Å
553F95.8Very high95.6Very high50 Ų5033.9 Ų33.922%0.21916%0.163CC..Hα-helixtrans-122-8.3-168.5-62.3-74.5000114.1A496 V549 M582 K584 I589 L610A496-F553 HydrophobicContact CB-CE2 4.33Å; A496-F553 HydrophobicContact CB-CZ 4.02Å; V549-F553 HydrophobicContact CG1-CD2 4.18Å; V549-F553 PolarHBondContact O-N 3.46Å; F553-M582 HydrophobicContact CD2-SD 4.28Å; F553-M582 HydrophobicContact CE2-CB 3.76Å; F553-M582 HydrophobicContact CE2-CG 4.34Å; F553-M582 HydrophobicContact CE2-SD 3.78Å; F553-M582 HydrophobicContact CZ-CB 4.29Å; F553-K584 HydrophobicContact CD1-CD 4.22Å; F553-K584 HydrophobicContact CE1-CB 4.08Å; F553-K584 HydrophobicContact CE1-CD 4.25Å; F553-I589 HydrophobicContact CB-CD1 4.19Å; F553-I589 HydrophobicContact CB-CG1 4.28Å; F553-I589 HydrophobicContact CD1-CD1 3.97Å; F553-I589 HydrophobicContact CD2-CD1 4.04Å; F553-I589 HydrophobicContact CD2-CG1 4.02Å; F553-I589 HydrophobicContact CD2-CG2 3.88Å; F553-I589 HydrophobicContact CE1-CD1 4.34Å; F553-I589 HydrophobicContact CE2-CD1 4.4Å; F553-I589 HydrophobicContact CE2-CG2 3.72Å; F553-I589 HydrophobicContact CG-CD1 3.8Å; F553-I589 HydrophobicContact CG-CG1 4.11Å; F553-I589 HydrophobicContact CZ-CG2 4.42Å; F553-L610 HydrophobicContact CB-CD1 3.84Å
554A93.2Very high95.6Very high1 Ų133.9 Ų33.91%0.00816%0.163CC..SBendtrans-125.24.1-179.900000114.2L550 N556 D557 K560 L610L550-A554 HydrophobicContact CD2-CB 3.88Å; L550-A554 CarbonylContact O-C 3.58Å; L550-A554 VanDerWaalsContact O-C 3.3Å; L550-A554 VanDerWaalsContact O-CA 3.29Å; L550-A554 WeakPolarHBondContact O-CA 3.33Å; L550-A554 WeakPolarHBondContact O-CB 3.4Å; L550-A554 PolarHBondContact O-N 3.13Å; A554-N556 PolarHBondContact O-N 3.46Å; A554-D557 WeakPolarHBondContact O-CB 3.41Å; A554-D557 PolarHBondContact O-N 3.21Å; A554-K560 HydrophobicContact CB-CB 3.99Å; A554-K560 HydrophobicContact CB-CD 4.07Å; A554-L610 HydrophobicContact CB-CD1 4.44Å; A554-L610 HydrophobicContact CB-CD2 4.46Å
555N91.3Very high95.6Very high129 Ų12933.9 Ų33.969%0.6916%0.163SC*.THydrogen-bonded Turntrans5239.2-172.8-61-12.7000112.4L550 D557L550-N555 PolarHBondContact O-N 3.37Å; L550-N555 VanDerWaalsContact O-N 3.11Å; N555-D557 PolarHBondContact O-N 3.49Å; N555-D557 VanDerWaalsContact O-N 3.08Å
556N92.9Very high95.6Very high5 Ų533.9 Ų33.93%0.02716%0.163CC..THydrogen-bonded Turntrans55.424.1-175.4-79.4-30.4000114.1R367 F368 L550 K551 A554 P558R367-N556 PolarHBondContact NH1-O 2.74Å; F368-N556 HydrophobicContact CE2-CB 4.08Å; F368-N556 HydrophobicContact CZ-CB 4.43Å; F368-N556 WeakPolarHBondContact CZ-O 3.31Å; L550-N556 PolarHBondContact O-N 3.06Å; K551-N556 VanDerWaalsContact CA-OD1 3.23Å; K551-N556 WeakPolarHBondContact CA-OD1 3.4Å; K551-N556 WeakPolarHBondContact CB-OD1 3.34Å; K551-N556 PolarHBondContact N-OD1 2.75Å; A554-N556 PolarHBondContact O-N 3.46Å; N556-P558 VanDerWaalsContact O-CD 3.25Å; N556-P558 WeakPolarHBondContact O-CD 3.49Å
557D92.9Very high95.5Very high49 Ų4939.2 Ų39.226%0.26218%0.183SC..  trans-85.6109.4175.4-177.3-0.4000110.7A554 N555 A559 K560A554-D557 WeakPolarHBondContact O-CB 3.41Å; A554-D557 PolarHBondContact O-N 3.21Å; N555-D557 PolarHBondContact O-N 3.49Å; N555-D557 VanDerWaalsContact O-N 3.08Å; D557-A559 PolarHBondContact O-N 2.87Å; D557-A559 WeakPolarHBondContact OD1-CB 3.48Å; D557-A559 PolarHBondContact OD1-N 3.37Å; D557-K560 HydrophobicContact CB-CD 4.16Å; D557-K560 HydrophobicContact CB-CG 4.24Å; D557-K560 PolarHBondContact O-N 3.41Å; D557-K560 WeakPolarHBondContact OD2-CE 3.46Å
558P92.3Very high95.5Very high9 Ų940 Ų406%0.05819%0.187CC..G310 helixtrans-64.7-25.6-179.2-23.538.9000113F368 P380 N556 K560 F561F368-P558 HydrophobicContact CE1-CG 3.62Å; F368-P558 HydrophobicContact CZ-CG 3.89Å; P380-P558 HydrophobicContact CG-CB 3.89Å; N556-P558 VanDerWaalsContact O-CD 3.25Å; N556-P558 WeakPolarHBondContact O-CD 3.49Å; P558-K560 PolarHBondContact O-N 3.38Å; P558-F561 VanDerWaalsContact O-CB 3.32Å; P558-F561 WeakPolarHBondContact O-CB 3.1Å; P558-F561 PolarHBondContact O-N 2.73Å
559A92.8Very high95.4Very high53 Ų5342.2 Ų42.244%0.43821%0.206SC..G310 helixtrans-69-16.3-179.400000112.9P421 D557 H611P421-A559 HydrophobicContact CG-CB 4.22Å; D557-A559 PolarHBondContact O-N 2.87Å; D557-A559 WeakPolarHBondContact OD1-CB 3.48Å; D557-A559 PolarHBondContact OD1-N 3.37Å; A559-H611 PolarHBondContact O-CD2 2.82Å
560K94.9Very high95.2Very high58 Ų5847.4 Ų47.425%0.25223%0.229SC..G310 helixtrans-84.6-12.8173.7-66.5-179.1-175170.80113A554 D557 P558 L610 H611A554-K560 HydrophobicContact CB-CB 3.99Å; A554-K560 HydrophobicContact CB-CD 4.07Å; D557-K560 HydrophobicContact CB-CD 4.16Å; D557-K560 HydrophobicContact CB-CG 4.24Å; D557-K560 PolarHBondContact O-N 3.41Å; D557-K560 WeakPolarHBondContact OD2-CE 3.46Å; P558-K560 PolarHBondContact O-N 3.38Å; K560-L610 CarbonylContact O-C 3.21Å; K560-L610 WeakPolarHBondContact O-CA 3.47Å; K560-L610 WeakPolarHBondContact O-CB 3.38Å; K560-L610 WeakPolarHBondContact O-CD2 3.07Å; K560-H611 PolarHBondContact O-N 2.88Å
561F97.3Very high95.1Very high3 Ų349.9 Ų49.91%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-74.8127.7178.3-172.9-87.5000110.5P380 T381 L416 L418 L550 P558 I564 V608P380-F561 HydrophobicContact CB-CB 3.86Å; P380-F561 HydrophobicContact CB-CD1 3.41Å; P380-F561 VanDerWaalsContact CB-CD1 3.41Å; P380-F561 HydrophobicContact CB-CD2 3.88Å; P380-F561 HydrophobicContact CB-CE1 3.77Å; P380-F561 HydrophobicContact CB-CE2 4.2Å; P380-F561 HydrophobicContact CB-CG 3.44Å; P380-F561 VanDerWaalsContact CB-CG 3.44Å; P380-F561 HydrophobicContact CB-CZ 4.12Å; P380-F561 HydrophobicContact CG-CB 3.61Å; P380-F561 HydrophobicContact CG-CD1 4.16Å; P380-F561 HydrophobicContact CG-CD2 4.16Å; P380-F561 HydrophobicContact CG-CG 3.73Å; T381-F561 HydrophobicContact CG2-CZ 4.46Å; L416-F561 HydrophobicContact CD2-CE1 4.29Å; L416-F561 HydrophobicContact CD2-CZ 4.48Å; L418-F561 HydrophobicContact CB-CD1 4.47Å; L418-F561 HydrophobicContact CD1-CD1 3.9Å; L418-F561 HydrophobicContact CD1-CE1 4.37Å; L418-F561 HydrophobicContact CG-CD1 4.01Å; L418-F561 HydrophobicContact CG-CE1 4.17Å; L550-F561 HydrophobicContact CD2-CB 4.16Å; L550-F561 HydrophobicContact CD2-CD2 4.21Å; L550-F561 HydrophobicContact CG-CD2 4.48Å; P558-F561 VanDerWaalsContact O-CB 3.32Å; P558-F561 WeakPolarHBondContact O-CB 3.1Å; P558-F561 PolarHBondContact O-N 2.73Å; F561-I564 HydrophobicContact CE1-CG2 4.43Å; F561-I564 HydrophobicContact CE2-CB 4.21Å; F561-I564 HydrophobicContact CE2-CG2 4.36Å; F561-I564 HydrophobicContact CZ-CB 3.77Å; F561-I564 HydrophobicContact CZ-CG2 3.55Å; F561-V608 HydrophobicContact CD2-CG1 4.04Å; F561-V608 HydrophobicContact CE2-CG1 3.88Å
562K97.4Very high95.3Very high79 Ų7945.3 Ų45.334%0.34323%0.226SC..EExtended strand (participates in β ladder)trans-108.5-57.5173.8-177.1-179.1176.9-176.80111.5E417 L418 D609E417-K562 CarbonylContact C-O 3.59Å; E417-K562 WeakPolarHBondContact CA-O 3.43Å; L418-K562 PolarHBondContact N-O 2.97Å; K562-D609 WeakPolarHBondContact CA-O 3.46Å; K562-D609 HydrophobicContact CB-CB 4.18Å; K562-D609 WeakPolarHBondContact CB-O 3.44Å; K562-D609 HydrophobicContact CD-CB 4.43Å; K562-D609 PolarHBondContact N-O 2.99Å
563A98.1Very high95.3Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-153163.2-175.200000112.5Y415 L416 E417 V608 D609Y415-A563 HydrophobicContact CE2-CB 4.06Å; L416-A563 CarbonylContact O-C 3.5Å; L416-A563 WeakPolarHBondContact O-CA 3.48Å; L416-A563 WeakPolarHBondContact O-CB 3.35Å; E417-A563 HydrophobicContact CB-CB 4.03Å; E417-A563 HydrophobicContact CG-CB 4.17Å; A563-V608 CarbonylContact O-C 3.57Å; A563-V608 VanDerWaalsContact O-CA 3.27Å; A563-V608 WeakPolarHBondContact O-CA 3.46Å; A563-D609 HydrophobicContact CB-CB 4.25Å; A563-D609 PolarHBondContact N-O 2.95Å; A563-D609 VanDerWaalsContact N-O 3.15Å; A563-D609 PolarHBondContact O-N 2.85Å
564I98.4Very high95.4Very high0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-143.8140.6172.8-177.4169.3000110Y415 L416 F542 A546 F561 V566 I591 Y607 V608Y415-I564 CarbonylContact C-O 3.58Å; Y415-I564 VanDerWaalsContact CA-O 3.3Å; Y415-I564 WeakPolarHBondContact CA-O 3.4Å; Y415-I564 WeakPolarHBondContact CD2-O 3.44Å; L416-I564 HydrophobicContact CB-CG2 3.86Å; L416-I564 HydrophobicContact CD2-CG2 4.34Å; L416-I564 HydrophobicContact CG-CG2 4.49Å; L416-I564 PolarHBondContact N-O 3.39Å; L416-I564 PolarHBondContact O-N 2.85Å; F542-I564 HydrophobicContact CD2-CD1 3.7Å; F542-I564 HydrophobicContact CD2-CG1 4.16Å; F542-I564 HydrophobicContact CD2-CG2 4.49Å; F542-I564 HydrophobicContact CE1-CG2 4.33Å; F542-I564 HydrophobicContact CE2-CB 4.07Å; F542-I564 HydrophobicContact CE2-CD1 3.5Å; F542-I564 VanDerWaalsContact CE2-CD1 3.5Å; F542-I564 HydrophobicContact CE2-CG1 3.61Å; F542-I564 HydrophobicContact CE2-CG2 3.3Å; F542-I564 HydrophobicContact CG-CD1 4.49Å; F542-I564 HydrophobicContact CZ-CB 4.36Å; F542-I564 HydrophobicContact CZ-CD1 4.11Å; F542-I564 HydrophobicContact CZ-CG1 4.32Å; F542-I564 HydrophobicContact CZ-CG2 3.19Å; A546-I564 HydrophobicContact CB-CD1 3.79Å; F561-I564 HydrophobicContact CE1-CG2 4.43Å; F561-I564 HydrophobicContact CE2-CB 4.21Å; F561-I564 HydrophobicContact CE2-CG2 4.36Å; F561-I564 HydrophobicContact CZ-CB 3.77Å; F561-I564 HydrophobicContact CZ-CG2 3.55Å; I564-V566 HydrophobicContact CD1-CG1 4.44Å; I564-V566 HydrophobicContact CG1-CG1 4.33Å; I564-I591 HydrophobicContact CD1-CD1 4.29Å; I564-Y607 CarbonylContact C-O 3.45Å; I564-Y607 VanDerWaalsContact CA-O 3.28Å; I564-Y607 WeakPolarHBondContact CA-O 3.45Å; I564-Y607 WeakPolarHBondContact CG1-O 3.43Å; I564-V608 HydrophobicContact CB-CG2 4.13Å; I564-V608 HydrophobicContact CD1-CG2 3.75Å; I564-V608 HydrophobicContact CG1-CG2 3.77Å
565K98.3Very high95.5Very high1 Ų141 Ų410%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-126.1138.7170.5178.567.7-165.8-169.20108.9E413 Q414 Y415 K484 G606 Y607E413-K565 VanDerWaalsContact OE2-CE 3.26Å; E413-K565 WeakPolarHBondContact OE2-CE 3.37Å; E413-K565 IonicContact OE2-NZ 3.18Å; E413-K565 PolarHBondContact OE2-NZ 3.03Å; Q414-K565 WeakPolarHBondContact O-CA 3.34Å; Y415-K565 HydrophobicContact CD2-CB 4.01Å; Y415-K565 HydrophobicContact CD2-CD 4.2Å; K484-K565 HydrophobicContact CB-CD 4.26Å; K484-K565 WeakPolarHBondContact O-CE 3.21Å; K484-K565 PolarHBondContact O-NZ 3.43Å; K565-G606 CarbonylContact O-C 3.55Å; K565-G606 WeakPolarHBondContact O-CA 3.48Å; K565-Y607 HydrophobicContact CB-CD1 3.86Å; K565-Y607 HydrophobicContact CB-CD2 4.3Å; K565-Y607 HydrophobicContact CB-CE1 3.38Å; K565-Y607 HydrophobicContact CB-CE2 3.85Å; K565-Y607 HydrophobicContact CB-CG 4.3Å; K565-Y607 HydrophobicContact CG-CD1 4.38Å; K565-Y607 HydrophobicContact CG-CE1 3.73Å; K565-Y607 PolarHBondContact N-O 3.4Å; K565-Y607 PolarHBondContact O-N 3.21Å
566V97.8Very high95.8Very high0 Ų036.1 Ų36.10%020%0.199CC..EExtended strand (participates in β ladder)trans-144.4157.2167-59.50000111.6E413 Q414 F542 I564 F568 I591 L603E413-V566 WeakPolarHBondContact CA-O 3.38Å; E413-V566 WeakPolarHBondContact CB-O 3.17Å; Q414-V566 HydrophobicContact CB-CG2 4.25Å; Q414-V566 PolarHBondContact N-O 2.92Å; Q414-V566 PolarHBondContact O-N 3.01Å; F542-V566 HydrophobicContact CB-CG2 4.48Å; F542-V566 HydrophobicContact CD2-CB 4.42Å; F542-V566 HydrophobicContact CD2-CG1 3.95Å; F542-V566 HydrophobicContact CD2-CG2 3.57Å; F542-V566 HydrophobicContact CE2-CG2 4.23Å; F542-V566 HydrophobicContact CG-CG2 4.48Å; I564-V566 HydrophobicContact CD1-CG1 4.44Å; I564-V566 HydrophobicContact CG1-CG1 4.33Å; V566-F568 HydrophobicContact CG2-CD1 4.38Å; V566-F568 HydrophobicContact CG2-CE1 3.69Å; V566-F568 HydrophobicContact CG2-CE2 4.4Å; V566-F568 HydrophobicContact CG2-CZ 3.71Å; V566-I591 HydrophobicContact CG1-CD1 4.02Å; V566-L603 HydrophobicContact CG1-CD1 4.4Å; V566-L603 HydrophobicContact CG2-CD2 4.43Å
567R96.7Very high96.1Very high113 Ų11336.4 Ų36.443%0.42620%0.201SC..EExtended strand (participates in β ladder)trans-111.2129.7160.9175.1-178.6-67.6168.1-2.1109.5E413 P486 A569 L603 A604E413-R567 HydrophobicContact CG-CB 3.98Å; E413-R567 HydrophobicContact CG-CG 3.99Å; E413-R567 IonicContact OE1-CZ 2.79Å; E413-R567 IonicContact OE1-NE 2.72Å; E413-R567 PolarHBondContact OE1-NE 3.32Å; E413-R567 IonicContact OE1-NH2 2.79Å; E413-R567 PolarHBondContact OE1-NH2 3.37Å; P486-R567 VanDerWaalsContact CG-NH2 3.33Å; R567-A569 PolarHBondContact O-N 2.92Å; R567-L603 WeakPolarHBondContact O-CA 3.49Å; R567-A604 WeakPolarHBondContact CB-O 3.31Å; R567-A604 PolarHBondContact N-O 3.29Å; R567-A604 PolarHBondContact O-N 2.83Å
568F96.3Very high96.3Very high34 Ų3434 Ų3415%0.14919%0.188CC..EExtended strand (participates in β ladder)trans-80.4113.1172.6-52.8-66000108.5H411 G412 Q414 G538 L539 F542 V566 L603H411-F568 AromaticContact CD2-CE2 3.8Å; H411-F568 AromaticContact CG-CE2 3.98Å; H411-F568 AromaticContact NE2-CE2 3.84Å; H411-F568 VanDerWaalsContact O-CD2 3.26Å; H411-F568 WeakPolarHBondContact O-CD2 3.11Å; G412-F568 PolarHBondContact O-N 2.95Å; Q414-F568 HydrophobicContact CB-CE2 3.91Å; Q414-F568 HydrophobicContact CB-CZ 3.89Å; G538-F568 WeakPolarHBondContact O-CE1 3.46Å; L539-F568 HydrophobicContact CD2-CZ 4.01Å; L539-F568 HydrophobicContact CG-CZ 4.44Å; F542-F568 HydrophobicContact CB-CE1 4.21Å; V566-F568 HydrophobicContact CG2-CD1 4.38Å; V566-F568 HydrophobicContact CG2-CE1 3.69Å; V566-F568 HydrophobicContact CG2-CE2 4.4Å; V566-F568 HydrophobicContact CG2-CZ 3.71Å; F568-L603 HydrophobicContact CD1-CD2 3.43Å; F568-L603 VanDerWaalsContact CD1-CD2 3.43Å; F568-L603 HydrophobicContact CE1-CD2 3.7Å
569A94Very high96.6Very high53 Ų5335.6 Ų35.644%0.43820%0.195SC..  trans-107.8-37.1-170.500000113.1R567 V601 A602 A604R567-A569 PolarHBondContact O-N 2.92Å; A569-V601 WeakPolarHBondContact CB-O 3.28Å; A569-A602 PolarHBondContact N-O 3.05Å; A569-A604 HydrophobicContact CB-CB 4.03Å
570K94Very high96.9Very high109 Ų10933 Ų3347%0.47417%0.174SC..SBendtrans-145.1151.3179.3-74-168.3172.2-1670111.4D600K570-D600 HydrophobicContact CD-CB 3.67Å; K570-D600 WeakPolarHBondContact CD-OD1 3.26Å; K570-D600 IonicContact NZ-OD1 3.95Å; K570-D600 PolarHBondContact NZ-OD1 2.92Å
571P93.8Very high97.1Very high54 Ų5431.2 Ų31.235%0.35117%0.166SC..  trans-68.1150.5178.429.1-35.4000111.7F531 I535F531-P571 HydrophobicContact CD1-CB 4.36Å; F531-P571 HydrophobicContact CD1-CG 4.37Å; F531-P571 HydrophobicContact CE1-CB 4.09Å; F531-P571 HydrophobicContact CE1-CG 4.14Å; I535-P571 HydrophobicContact CB-CB 4.22Å; I535-P571 HydrophobicContact CD1-CB 4.16Å; I535-P571 HydrophobicContact CG2-CB 3.75Å
572V96.6Very high97.1Very high4 Ų431 Ų312%0.02417%0.165CC..  trans-113.9139.7169.7-179.80000107.1I535 L536 Q576 L578 V595 A602I535-V572 CarbonylContact C-O 3.59Å; L536-V572 HydrophobicContact CB-CB 4.19Å; L536-V572 HydrophobicContact CB-CG1 4.37Å; L536-V572 WeakPolarHBondContact CB-O 3.11Å; L536-V572 HydrophobicContact CD2-CB 4.45Å; L536-V572 HydrophobicContact CD2-CG1 4.06Å; L536-V572 PolarHBondContact N-O 2.82Å; V572-Q576 HydrophobicContact CG1-CB 4.43Å; V572-L578 HydrophobicContact CG1-CD2 3.86Å; V572-L578 HydrophobicContact CG2-CD2 3.92Å; V572-V595 HydrophobicContact CB-CG2 4.49Å; V572-V595 HydrophobicContact CG1-CG2 4.43Å; V572-V595 HydrophobicContact CG2-CG2 3.89Å; V572-A602 HydrophobicContact CG2-CB 3.45Å; V572-A602 VanDerWaalsContact CG2-CB 3.45Å
573F96.9Very high97.2Very high33 Ų3327.7 Ų27.715%0.14515%0.151CC..  trans-99139173.2-64.7-89.3000110.2R532 A533 I535 G575 Q576R532-F573 HydrophobicContact CG-CE1 3.9Å; R532-F573 HydrophobicContact CG-CZ 3.79Å; A533-F573 HydrophobicContact CB-CD1 4.07Å; A533-F573 HydrophobicContact CB-CE1 3.95Å; I535-F573 HydrophobicContact CG2-CD1 4.2Å; I535-F573 HydrophobicContact CG2-CE1 3.76Å; I535-F573 HydrophobicContact CG2-CZ 4.08Å; F573-G575 PolarHBondContact O-N 3.13Å; F573-Q576 HydrophobicContact CB-CG 4.17Å; F573-Q576 VanDerWaalsContact O-CB 3.29Å; F573-Q576 WeakPolarHBondContact O-CB 3.44Å; F573-Q576 WeakPolarHBondContact O-CG 3.26Å; F573-Q576 PolarHBondContact O-N 2.86Å; F573-Q576 VanDerWaalsContact O-N 3.12Å
574P97.4Very high97.1Very high35 Ų3531.3 Ų31.323%0.22717%0.166CC..THydrogen-bonded Turntrans-52.7138.9172.6-25.835.7000111.7T503 G504 A507 L536T503-P574 CarbonylContact O-C 3.3Å; G504-P574 VanDerWaalsContact O-CB 3.23Å; G504-P574 WeakPolarHBondContact O-CB 3.28Å; A507-P574 HydrophobicContact CB-CG 3.78Å; L536-P574 HydrophobicContact CB-CG 4.41Å; L536-P574 HydrophobicContact CD1-CG 4.46Å
575G96.2Very high96.9Very high40 Ų4036 Ų3641%0.41219%0.188SC..THydrogen-bonded Turntrans93-15.5-173.100000114.6T502 T503 F573T502-G575 VanDerWaalsContact O-CA 3.31Å; T502-G575 WeakPolarHBondContact O-CA 3.26Å; T502-G575 PolarHBondContact OG1-N 3.28Å; T503-G575 PolarHBondContact O-N 3.23Å; F573-G575 PolarHBondContact O-N 3.13Å
576Q97.7Very high96.6Very high27 Ų2738.8 Ų38.813%0.12622%0.217CC..PPolyproline II helixtrans-78.9160.3175.8-64.9-172.3-55.500112.3T502 V572 F573 V595T502-Q576 PolarHBondContact N-O 2.93Å; T502-Q576 PolarHBondContact OG1-N 3.02Å; T502-Q576 PolarHBondContact OG1-O 3.5Å; V572-Q576 HydrophobicContact CG1-CB 4.43Å; F573-Q576 HydrophobicContact CB-CG 4.17Å; F573-Q576 VanDerWaalsContact O-CB 3.29Å; F573-Q576 WeakPolarHBondContact O-CB 3.44Å; F573-Q576 WeakPolarHBondContact O-CG 3.26Å; F573-Q576 PolarHBondContact O-N 2.86Å; F573-Q576 VanDerWaalsContact O-N 3.12Å; Q576-V595 HydrophobicContact CB-CG1 4.08Å; Q576-V595 HydrophobicContact CG-CG1 4.33Å
577S98.2Very high96.4Very high10 Ų1041.8 Ų41.87%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-98.3126.9-178.9-45.10000112.1E500 S501 K596 E597E500-S577 WeakPolarHBondContact O-CA 3.23Å; S501-S577 PolarHBondContact OG-OG 2.84Å; S577-K596 PolarHBondContact O-N 3.31Å; S577-E597 WeakPolarHBondContact CB-OE1 3.33Å; S577-E597 PolarHBondContact N-OE1 2.81Å; S577-E597 PolarHBondContact N-OE2 2.81Å; S577-E597 PolarHBondContact OG-OE1 3.12Å
578L98.3Very high96.4Very high0 Ų039.9 Ų39.90%023%0.231CC..EExtended strand (participates in β ladder)trans-89.1116.6175.9-65.9177.9000109.5I499 E500 T502 F544 V572I499-L578 WeakPolarHBondContact CA-O 3.48Å; E500-L578 PolarHBondContact N-O 3.27Å; E500-L578 PolarHBondContact O-N 2.91Å; T502-L578 HydrophobicContact CG2-CD1 3.98Å; T502-L578 HydrophobicContact CG2-CG 4.18Å; F544-L578 HydrophobicContact CB-CD1 3.71Å; F544-L578 HydrophobicContact CD1-CD1 4.17Å; F544-L578 HydrophobicContact CD2-CD1 4.06Å; F544-L578 HydrophobicContact CG-CD1 3.74Å; V572-L578 HydrophobicContact CG1-CD2 3.86Å; V572-L578 HydrophobicContact CG2-CD2 3.92Å
579Q98.3Very high96.5Very high41 Ų4138.3 Ų38.319%0.19222%0.224CC..EExtended strand (participates in β ladder)trans-98.8105.1171.1176.6174.5-48.400109.2V497 V498 I499 E581 C593 K594V497-Q579 HydrophobicContact CG1-CG 3.58Å; V498-Q579 CarbonylContact O-C 3.45Å; V498-Q579 WeakPolarHBondContact O-CA 3.47Å; I499-Q579 HydrophobicContact CD1-CG 4.47Å; I499-Q579 HydrophobicContact CG1-CB 4.05Å; I499-Q579 HydrophobicContact CG1-CG 3.94Å; Q579-E581 HydrophobicContact CG-CG 4.37Å; Q579-E581 PolarHBondContact NE2-OE1 2.81Å; Q579-C593 CarbonylContact O-C 3.59Å; Q579-C593 WeakPolarHBondContact O-CA 3.12Å; Q579-K594 HydrophobicContact CB-CB 4.43Å; Q579-K594 PolarHBondContact N-O 3.21Å; Q579-K594 PolarHBondContact O-N 2.96Å
580T98.4Very high96.7Very high0 Ų036.4 Ų36.40%021%0.206CC..EExtended strand (participates in β ladder)trans-93.7114174.6-54.90000110.3V497 V498 A545 H548 M582 I591 Q592V497-T580 WeakPolarHBondContact CA-O 3.32Å; V498-T580 PolarHBondContact N-O 3.47Å; V498-T580 PolarHBondContact O-N 3.14Å; A545-T580 HydrophobicContact CB-CG2 4.18Å; H548-T580 HydrophobicContact CB-CG2 4.28Å; H548-T580 VanDerWaalsContact ND1-CB 3.28Å; H548-T580 WeakPolarHBondContact ND1-CB 3.28Å; H548-T580 PolarHBondContact ND1-OG1 2.96Å; T580-M582 HydrophobicContact CG2-CG 3.88Å; T580-M582 HydrophobicContact CG2-SD 4.35Å; T580-I591 HydrophobicContact CG2-CB 4.5Å; T580-Q592 WeakPolarHBondContact CA-O 3.44Å
581E98.4Very high96.9Very high19 Ų1931.4 Ų31.49%0.08918%0.184CC..EExtended strand (participates in β ladder)trans-92.7132.7172.9-62.6173169.500108.8P494 V497 Q579 W583 I591 Q592 K594P494-E581 HydrophobicContact CB-CB 4.11Å; P494-E581 HydrophobicContact CG-CB 4.35Å; P494-E581 HydrophobicContact CG-CG 4.44Å; V497-E581 HydrophobicContact CG1-CG 4.39Å; V497-E581 HydrophobicContact CG2-CG 4.22Å; Q579-E581 HydrophobicContact CG-CG 4.37Å; Q579-E581 PolarHBondContact NE2-OE1 2.81Å; E581-W583 HydrophobicContact CB-CH2 3.41Å; E581-W583 VanDerWaalsContact CB-CH2 3.41Å; E581-W583 HydrophobicContact CB-CZ2 4.21Å; E581-W583 HydrophobicContact CB-CZ3 3.66Å; E581-W583 HydrophobicContact CG-CH2 4.46Å; E581-W583 VanDerWaalsContact O-CZ3 3.3Å; E581-W583 WeakPolarHBondContact O-CZ3 3.24Å; E581-I591 WeakPolarHBondContact O-CA 3.5Å; E581-Q592 PolarHBondContact N-O 2.93Å; E581-Q592 PolarHBondContact O-N 2.92Å; E581-K594 IonicContact OE1-NZ 2.71Å; E581-K594 PolarHBondContact OE1-NZ 3.38Å; E581-K594 VanDerWaalsContact OE2-CE 3.28Å; E581-K594 WeakPolarHBondContact OE2-CE 3.42Å; E581-K594 IonicContact OE2-NZ 3.52Å; E581-K594 PolarHBondContact OE2-NZ 2.61Å
582M98.4Very high97.1Very high0 Ų030.2 Ų30.20%017%0.174CC..EExtended strand (participates in β ladder)trans-132.7133.5-170.5-59.9173.5-86.100111.2P494 D495 A496 V498 H548 V549 R552 F553 T580 I589 H590 I591P494-M582 CarbonylContact C-O 3.56Å; D495-M582 PolarHBondContact N-O 3.37Å; A496-M582 HydrophobicContact CB-CB 4.41Å; A496-M582 HydrophobicContact CB-CE 3.83Å; A496-M582 PolarHBondContact N-O 3.28Å; A496-M582 PolarHBondContact O-N 3.33Å; V498-M582 HydrophobicContact CB-CE 4.09Å; V498-M582 HydrophobicContact CG2-CE 3.54Å; H548-M582 HydrophobicContact CB-CE 4.29Å; H548-M582 HydrophobicContact CB-SD 4.26Å; V549-M582 HydrophobicContact CB-SD 4.45Å; V549-M582 HydrophobicContact CG2-CG 4.22Å; V549-M582 HydrophobicContact CG2-SD 3.75Å; R552-M582 HydrophobicContact CB-CE 4.31Å; R552-M582 HydrophobicContact CB-SD 4.42Å; R552-M582 HydrophobicContact CG-CE 4.4Å; F553-M582 HydrophobicContact CD2-SD 4.28Å; F553-M582 HydrophobicContact CE2-CB 3.76Å; F553-M582 HydrophobicContact CE2-CG 4.34Å; F553-M582 HydrophobicContact CE2-SD 3.78Å; F553-M582 HydrophobicContact CZ-CB 4.29Å; T580-M582 HydrophobicContact CG2-CG 3.88Å; T580-M582 HydrophobicContact CG2-SD 4.35Å; M582-I589 HydrophobicContact CB-CG2 3.91Å; M582-I589 HydrophobicContact CG-CG2 4.41Å; M582-H590 CarbonylContact C-O 3.6Å; M582-H590 VanDerWaalsContact CA-O 3.3Å; M582-H590 WeakPolarHBondContact CA-O 3.01Å; M582-I591 HydrophobicContact CG-CG2 4.05Å
583W98.3Very high97.2Very high9 Ų930.1 Ų30.13%0.03417%0.174CC..EExtended strand (participates in β ladder)trans-125.7122.2175.9-56.9-107.4000109.9P489 P490 R492 A493 P494 D495 E581 I589 H590 Q592P489-W583 HydrophobicContact CB-CE3 4.15Å; P489-W583 HydrophobicContact CB-CH2 3.84Å; P489-W583 HydrophobicContact CB-CZ2 4.18Å; P489-W583 HydrophobicContact CB-CZ3 3.81Å; P490-W583 HydrophobicContact CB-CB 4.47Å; P490-W583 HydrophobicContact CB-CG 4.27Å; P490-W583 HydrophobicContact CG-CB 3.76Å; P490-W583 HydrophobicContact CG-CG 3.94Å; R492-W583 PolarHBondContact O-NE1 3.24Å; A493-W583 VanDerWaalsContact C-NE1 3.33Å; A493-W583 PolarHBondContact O-NE1 2.83Å; P494-W583 VanDerWaalsContact CA-NE1 3.31Å; P494-W583 HydrophobicContact CB-CD2 4.15Å; P494-W583 HydrophobicContact CB-CH2 4.4Å; P494-W583 HydrophobicContact CB-CZ2 3.85Å; P494-W583 HydrophobicContact CG-CZ2 4.31Å; D495-W583 VanDerWaalsContact OD2-CA 3.31Å; D495-W583 WeakPolarHBondContact OD2-CA 3.47Å; E581-W583 HydrophobicContact CB-CH2 3.41Å; E581-W583 VanDerWaalsContact CB-CH2 3.41Å; E581-W583 HydrophobicContact CB-CZ2 4.21Å; E581-W583 HydrophobicContact CB-CZ3 3.66Å; E581-W583 HydrophobicContact CG-CH2 4.46Å; E581-W583 VanDerWaalsContact O-CZ3 3.3Å; E581-W583 WeakPolarHBondContact O-CZ3 3.24Å; W583-I589 CarbonylContact O-C 3.58Å; W583-I589 WeakPolarHBondContact O-CA 3.41Å; W583-H590 HydrophobicContact CB-CB 4.24Å; W583-H590 HydrophobicContact CE3-CB 4.3Å; W583-H590 PolarHBondContact N-O 3.06Å; W583-H590 PolarHBondContact O-N 2.91Å; W583-Q592 HydrophobicContact CH2-CB 4.14Å; W583-Q592 HydrophobicContact CZ3-CB 3.93Å
584K96.7Very high97.3Very high76 Ų7630.9 Ų30.933%0.3318%0.177SC..EExtended strand (participates in β ladder)trans-86.6126.2177.9-177.4179.2-177.3-1590110.2R492 D495 F553 G586 I589R492-K584 PolarHBondContact NH2-O 3.27Å; D495-K584 PolarHBondContact OD2-N 2.99Å; F553-K584 HydrophobicContact CD1-CD 4.22Å; F553-K584 HydrophobicContact CE1-CB 4.08Å; F553-K584 HydrophobicContact CE1-CD 4.25Å; K584-G586 WeakPolarHBondContact CE-O 3.27Å; K584-I589 HydrophobicContact CB-CD1 3.71Å; K584-I589 HydrophobicContact CD-CD1 4.3Å; K584-I589 HydrophobicContact CG-CD1 3.58Å
585E94.6Very high97.3Very high97 Ų9729.2 Ų29.245%0.45317%0.166SC..EExtended strand (participates in β ladder)trans-133.295.6170.2-66.5-167.6171.500108.9P490 S587 R588 H590P490-E585 VanDerWaalsContact CG-OE1 3.28Å; P490-E585 WeakPolarHBondContact CG-OE1 3.4Å; E585-S587 PolarHBondContact O-N 3Å; E585-R588 CarbonylContact C-O 3.48Å; E585-R588 PolarHBondContact N-O 3.21Å; E585-R588 PolarHBondContact O-N 3.06Å; E585-H590 IonicContact OE2-NE2 2.68Å
586G92Very high97.3Very high60 Ų6032.6 Ų32.662%0.61917%0.17SC*.THydrogen-bonded Turntrans61.1-121.9-17300000111.9K584K584-G586 WeakPolarHBondContact CE-O 3.27Å
587S93.5Very high97.3Very high63 Ų6336.1 Ų36.144%0.44119%0.186SC..THydrogen-bonded Turntrans-86.8-4.6177.363.90000114E585 L610E585-S587 PolarHBondContact O-N 3Å; S587-L610 WeakPolarHBondContact CB-O 3.39Å; S587-L610 PolarHBondContact O-N 3.37Å
588R97.1Very high97.1Very high73 Ų7339 Ų3928%0.27520%0.203SC..EExtended strand (participates in β ladder)trans-102.3133.8179.6178.7165.6-72.1175.7-3.1110.5E585 Y607 D609E585-R588 CarbonylContact C-O 3.48Å; E585-R588 PolarHBondContact N-O 3.21Å; E585-R588 PolarHBondContact O-N 3.06Å; R588-Y607 HydrophobicContact CG-CD2 4.43Å; R588-Y607 HydrophobicContact CG-CG 4.4Å; R588-D609 WeakPolarHBondContact CB-OD1 3.39Å; R588-D609 WeakPolarHBondContact CG-OD1 3.15Å; R588-D609 IonicContact CZ-OD1 2.63Å; R588-D609 IonicContact CZ-OD2 3.37Å; R588-D609 IonicContact NE-OD1 3.98Å; R588-D609 PolarHBondContact NE-OD1 3.2Å; R588-D609 IonicContact NE-OD2 2.77Å; R588-D609 IonicContact NH2-OD1 2.84Å; R588-D609 PolarHBondContact NH2-OD1 3.1Å; R588-D609 IonicContact NH2-OD2 3.37Å; R588-D609 PolarHBondContact NH2-OD2 3.06Å
589I98.1Very high97Very high1 Ų141.1 Ų41.11%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-109.9106.5172.1-47.5-57.1000107.8V549 F553 M582 W583 K584 I591 Y607 V608 L610V549-I589 HydrophobicContact CG1-CB 4.03Å; V549-I589 HydrophobicContact CG1-CG1 3.88Å; V549-I589 HydrophobicContact CG1-CG2 4.22Å; V549-I589 HydrophobicContact CG2-CG2 4.1Å; F553-I589 HydrophobicContact CB-CD1 4.19Å; F553-I589 HydrophobicContact CB-CG1 4.28Å; F553-I589 HydrophobicContact CD1-CD1 3.97Å; F553-I589 HydrophobicContact CD2-CD1 4.04Å; F553-I589 HydrophobicContact CD2-CG1 4.02Å; F553-I589 HydrophobicContact CD2-CG2 3.88Å; F553-I589 HydrophobicContact CE1-CD1 4.34Å; F553-I589 HydrophobicContact CE2-CD1 4.4Å; F553-I589 HydrophobicContact CE2-CG2 3.72Å; F553-I589 HydrophobicContact CG-CD1 3.8Å; F553-I589 HydrophobicContact CG-CG1 4.11Å; F553-I589 HydrophobicContact CZ-CG2 4.42Å; M582-I589 HydrophobicContact CB-CG2 3.91Å; M582-I589 HydrophobicContact CG-CG2 4.41Å; W583-I589 CarbonylContact O-C 3.58Å; W583-I589 WeakPolarHBondContact O-CA 3.41Å; K584-I589 HydrophobicContact CB-CD1 3.71Å; K584-I589 HydrophobicContact CD-CD1 4.3Å; K584-I589 HydrophobicContact CG-CD1 3.58Å; I589-I591 HydrophobicContact CG2-CG2 4.24Å; I589-Y607 CarbonylContact O-C 3.55Å; I589-Y607 WeakPolarHBondContact O-CA 3.37Å; I589-V608 PolarHBondContact N-O 3.36Å; I589-V608 PolarHBondContact O-N 2.83Å; I589-L610 HydrophobicContact CG1-CD1 4.17Å
590H98.3Very high96.9Very high14 Ų1441.9 Ų41.97%0.06523%0.231CC..EExtended strand (participates in β ladder)trans-67.5139.7170.3-68.4-106.8000109.1P490 M582 W583 E585P490-H590 HydrophobicContact CG-CB 4.35Å; M582-H590 CarbonylContact C-O 3.6Å; M582-H590 VanDerWaalsContact CA-O 3.3Å; M582-H590 WeakPolarHBondContact CA-O 3.01Å; W583-H590 HydrophobicContact CB-CB 4.24Å; W583-H590 HydrophobicContact CE3-CB 4.3Å; W583-H590 PolarHBondContact N-O 3.06Å; W583-H590 PolarHBondContact O-N 2.91Å; E585-H590 IonicContact OE2-NE2 2.68Å
591I98.2Very high96.9Very high3 Ų343.9 Ų43.92%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-132144.6-178.863.4169.5000112.2A545 V549 I564 V566 T580 E581 M582 I589 G606 V608A545-I591 HydrophobicContact CB-CD1 4.01Å; V549-I591 HydrophobicContact CG2-CG2 3.5Å; I564-I591 HydrophobicContact CD1-CD1 4.29Å; V566-I591 HydrophobicContact CG1-CD1 4.02Å; T580-I591 HydrophobicContact CG2-CB 4.5Å; E581-I591 WeakPolarHBondContact O-CA 3.5Å; M582-I591 HydrophobicContact CG-CG2 4.05Å; I589-I591 HydrophobicContact CG2-CG2 4.24Å; I591-G606 VanDerWaalsContact CG1-C 3.48Å; I591-G606 PolarHBondContact N-O 2.95Å; I591-G606 WeakPolarHBondContact O-CA 3.41Å; I591-G606 PolarHBondContact O-N 3.27Å; I591-V608 HydrophobicContact CD1-CG2 4.2Å
592Q98Very high96.8Very high30 Ų3043 Ų4314%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-136.8133.7166.7-178.5176.5-13.400108.1T580 E581 W583 K594 V601T580-Q592 WeakPolarHBondContact CA-O 3.44Å; E581-Q592 PolarHBondContact N-O 2.93Å; E581-Q592 PolarHBondContact O-N 2.92Å; W583-Q592 HydrophobicContact CH2-CB 4.14Å; W583-Q592 HydrophobicContact CZ3-CB 3.93Å; Q592-K594 VanDerWaalsContact NE2-CE 3.3Å; Q592-V601 HydrophobicContact CG-CG1 3.69Å
593C98Very high96.7Very high1 Ų143.2 Ų43.21%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-114.8126.6177-164.40000110.3Q579 A602 L603Q579-C593 CarbonylContact O-C 3.59Å; Q579-C593 WeakPolarHBondContact O-CA 3.12Å; C593-A602 PolarHBondContact O-N 3.24Å; C593-L603 HydrophobicContact CB-CB 3.66Å; C593-L603 HydrophobicContact CB-CD1 3.76Å; C593-L603 HydrophobicContact CB-CG 3.75Å; C593-L603 PolarHBondContact N-O 3.38Å; C593-L603 PolarHBondContact O-N 2.76Å
594K98Very high96.7Very high49 Ų4944 Ų4421%0.21325%0.248CC..EExtended strand (participates in β ladder)trans-112.8149177.9-64.7174-175159.90110.8Q579 E581 Q592 K596 D600 V601Q579-K594 HydrophobicContact CB-CB 4.43Å; Q579-K594 PolarHBondContact N-O 3.21Å; Q579-K594 PolarHBondContact O-N 2.96Å; E581-K594 IonicContact OE1-NZ 2.71Å; E581-K594 PolarHBondContact OE1-NZ 3.38Å; E581-K594 VanDerWaalsContact OE2-CE 3.28Å; E581-K594 WeakPolarHBondContact OE2-CE 3.42Å; E581-K594 IonicContact OE2-NZ 3.52Å; E581-K594 PolarHBondContact OE2-NZ 2.61Å; Q592-K594 VanDerWaalsContact NE2-CE 3.3Å; K594-K596 PolarHBondContact O-N 3.27Å; K594-D600 CarbonylContact C-O 3.6Å; K594-D600 WeakPolarHBondContact CA-O 3.44Å; K594-V601 HydrophobicContact CG-CG2 4.3Å
595V98Very high96.6Very high1 Ų141 Ų411%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-77.1112.4162179.40000107V572 Q576 E597 T598 G599 D600 A602V572-V595 HydrophobicContact CB-CG2 4.49Å; V572-V595 HydrophobicContact CG1-CG2 4.43Å; V572-V595 HydrophobicContact CG2-CG2 3.89Å; Q576-V595 HydrophobicContact CB-CG1 4.08Å; Q576-V595 HydrophobicContact CG-CG1 4.33Å; V595-E597 WeakPolarHBondContact CG1-OE2 3.36Å; V595-E597 PolarHBondContact O-N 2.86Å; V595-T598 HydrophobicContact CG1-CG2 4.31Å; V595-T598 PolarHBondContact O-N 2.87Å; V595-G599 WeakPolarHBondContact O-CA 3.22Å; V595-G599 PolarHBondContact O-N 2.76Å; V595-D600 PolarHBondContact N-O 2.72Å; V595-A602 HydrophobicContact CG2-CB 4.32Å
596K96.9Very high96.7Very high111 Ų11136.5 Ų36.548%0.48322%0.219SC..THydrogen-bonded Turntrans-57.8-39.2-172.9-177.5-178.8179.5-178.90112.2I499 S577 K594 T598I499-K596 HydrophobicContact CD1-CD 4.1Å; I499-K596 HydrophobicContact CG2-CD 3.69Å; S577-K596 PolarHBondContact O-N 3.31Å; K594-K596 PolarHBondContact O-N 3.27Å; K596-T598 PolarHBondContact O-N 3.14Å
597E96.6Very high97Very high101 Ų10134.2 Ų34.247%0.47219%0.192SC..THydrogen-bonded Turntrans-69.7-31.5-174.3-62.878-171.400112.7S577 V595S577-E597 WeakPolarHBondContact CB-OE1 3.33Å; S577-E597 PolarHBondContact N-OE1 2.81Å; S577-E597 PolarHBondContact N-OE2 2.81Å; S577-E597 PolarHBondContact OG-OE1 3.12Å; V595-E597 WeakPolarHBondContact CG1-OE2 3.36Å; V595-E597 PolarHBondContact O-N 2.86Å
598T95.4Very high97.2Very high70 Ų7031.2 Ų31.243%0.42917%0.171SC..THydrogen-bonded Turntrans-110.1-17.1-177.269.70000113.6V595 K596 D600V595-T598 HydrophobicContact CG1-CG2 4.31Å; V595-T598 PolarHBondContact O-N 2.87Å; K596-T598 PolarHBondContact O-N 3.14Å; T598-D600 WeakPolarHBondContact CB-OD2 3.32Å; T598-D600 PolarHBondContact O-N 2.88Å; T598-D600 VanDerWaalsContact OG1-CB 3.22Å; T598-D600 WeakPolarHBondContact OG1-CB 3.48Å; T598-D600 VanDerWaalsContact OG1-CG 3.24Å; T598-D600 PolarHBondContact OG1-N 3.43Å; T598-D600 PolarHBondContact OG1-OD2 2.8Å
599G95.3Very high97.3Very high45 Ų4528.6 Ų28.646%0.46416%0.162SC..  trans75.31.4-170.800000114V595V595-G599 WeakPolarHBondContact O-CA 3.22Å; V595-G599 PolarHBondContact O-N 2.76Å
600D96.8Very high97.2Very high57 Ų5729.4 Ų29.431%0.30517%0.166SC..  trans-67.5136.4-178.3-77.1-43.7000112K570 K594 V595 T598 A602K570-D600 HydrophobicContact CD-CB 3.67Å; K570-D600 WeakPolarHBondContact CD-OD1 3.26Å; K570-D600 IonicContact NZ-OD1 3.95Å; K570-D600 PolarHBondContact NZ-OD1 2.92Å; K594-D600 CarbonylContact C-O 3.6Å; K594-D600 WeakPolarHBondContact CA-O 3.44Å; V595-D600 PolarHBondContact N-O 2.72Å; T598-D600 WeakPolarHBondContact CB-OD2 3.32Å; T598-D600 PolarHBondContact O-N 2.88Å; T598-D600 VanDerWaalsContact OG1-CB 3.22Å; T598-D600 WeakPolarHBondContact OG1-CB 3.48Å; T598-D600 VanDerWaalsContact OG1-CG 3.24Å; T598-D600 PolarHBondContact OG1-N 3.43Å; T598-D600 PolarHBondContact OG1-OD2 2.8Å; D600-A602 PolarHBondContact O-N 3.46Å
601V97.5Very high96.8Very high41 Ų4132.8 Ų32.825%0.24818%0.182CC..EExtended strand (participates in β ladder)trans-80.9105.6175.6-171.50000109.3A569 Q592 K594 L603 A604A569-V601 WeakPolarHBondContact CB-O 3.28Å; Q592-V601 HydrophobicContact CG-CG1 3.69Å; K594-V601 HydrophobicContact CG-CG2 4.3Å; V601-L603 WeakPolarHBondContact CG1-O 3.3Å; V601-A604 HydrophobicContact CG1-CB 3.96Å
602A96.9Very high95.4Very high2 Ų235.9 Ų35.92%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-80.3-45.3177.300000111.8A569 V572 C593 V595 D600A569-A602 PolarHBondContact N-O 3.05Å; V572-A602 HydrophobicContact CG2-CB 3.45Å; V572-A602 VanDerWaalsContact CG2-CB 3.45Å; C593-A602 PolarHBondContact O-N 3.24Å; V595-A602 HydrophobicContact CG2-CB 4.32Å; D600-A602 PolarHBondContact O-N 3.46Å
603L97.6Very high92.6Very high3 Ų338.7 Ų38.72%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-114.8119.9174.8-53.3179.3000109.6A545 V566 R567 F568 C593 V601A545-L603 HydrophobicContact CB-CD1 3.82Å; V566-L603 HydrophobicContact CG1-CD1 4.4Å; V566-L603 HydrophobicContact CG2-CD2 4.43Å; R567-L603 WeakPolarHBondContact O-CA 3.49Å; F568-L603 HydrophobicContact CD1-CD2 3.43Å; F568-L603 VanDerWaalsContact CD1-CD2 3.43Å; F568-L603 HydrophobicContact CE1-CD2 3.7Å; C593-L603 HydrophobicContact CB-CB 3.66Å; C593-L603 HydrophobicContact CB-CD1 3.76Å; C593-L603 HydrophobicContact CB-CG 3.75Å; C593-L603 PolarHBondContact N-O 3.38Å; C593-L603 PolarHBondContact O-N 2.76Å; V601-L603 WeakPolarHBondContact CG1-O 3.3Å
604A97Very high89.6Confident25 Ų2544.1 Ų44.121%0.20727%0.272CS..EExtended strand (participates in β ladder)trans-116.9157-179.200000111.4R567 A569 V601 G606R567-A604 WeakPolarHBondContact CB-O 3.31Å; R567-A604 PolarHBondContact N-O 3.29Å; R567-A604 PolarHBondContact O-N 2.83Å; A569-A604 HydrophobicContact CB-CB 4.03Å; V601-A604 HydrophobicContact CG1-CB 3.96Å; A604-G606 PolarHBondContact O-N 2.82Å; A604-G606 VanDerWaalsContact O-N 3.12Å
605G94.6Very high86.5Confident14 Ų1449.6 Ų49.614%0.14430%0.298CS..EExtended strand (participates in β ladder)trans60.225.4170.800000114.4P486 L487P486-G605 CarbonylContact C-O 3.57Å; P486-G605 VanDerWaalsContact CA-O 3.27Å; P486-G605 WeakPolarHBondContact CA-O 3.32Å; P486-G605 VanDerWaalsContact CB-O 3.24Å; P486-G605 WeakPolarHBondContact CB-O 3.41Å; L487-G605 PolarHBondContact N-O 3.1Å; L487-G605 CarbonylContact O-C 3.15Å; L487-G605 WeakPolarHBondContact O-CA 3.12Å
606G96.9Very high83.2Confident2 Ų253.9 Ų53.92%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-92.6156.8-168.800000113.2K565 I591 A604K565-G606 CarbonylContact O-C 3.55Å; K565-G606 WeakPolarHBondContact O-CA 3.48Å; I591-G606 VanDerWaalsContact CG1-C 3.48Å; I591-G606 PolarHBondContact N-O 2.95Å; I591-G606 WeakPolarHBondContact O-CA 3.41Å; I591-G606 PolarHBondContact O-N 3.27Å; A604-G606 PolarHBondContact O-N 2.82Å; A604-G606 VanDerWaalsContact O-N 3.12Å
607Y98.3Very high79.8Confident13 Ų1353.4 Ų53.45%0.05134%0.344CS..EExtended strand (participates in β ladder)trans-153157.2169.159-94.7000110.8L487 I564 K565 R588 I589L487-Y607 HydrophobicContact CB-CD1 4.2Å; L487-Y607 HydrophobicContact CD1-CD1 3.89Å; L487-Y607 HydrophobicContact CD1-CE1 3.98Å; L487-Y607 HydrophobicContact CG-CD1 4.08Å; L487-Y607 HydrophobicContact CG-CE1 4.06Å; I564-Y607 CarbonylContact C-O 3.45Å; I564-Y607 VanDerWaalsContact CA-O 3.28Å; I564-Y607 WeakPolarHBondContact CA-O 3.45Å; I564-Y607 WeakPolarHBondContact CG1-O 3.43Å; K565-Y607 HydrophobicContact CB-CD1 3.86Å; K565-Y607 HydrophobicContact CB-CD2 4.3Å; K565-Y607 HydrophobicContact CB-CE1 3.38Å; K565-Y607 HydrophobicContact CB-CE2 3.85Å; K565-Y607 HydrophobicContact CB-CG 4.3Å; K565-Y607 HydrophobicContact CG-CD1 4.38Å; K565-Y607 HydrophobicContact CG-CE1 3.73Å; K565-Y607 PolarHBondContact N-O 3.4Å; K565-Y607 PolarHBondContact O-N 3.21Å; R588-Y607 HydrophobicContact CG-CD2 4.43Å; R588-Y607 HydrophobicContact CG-CG 4.4Å; I589-Y607 CarbonylContact O-C 3.55Å; I589-Y607 WeakPolarHBondContact O-CA 3.37Å
608V98.4Very high76.8Confident0 Ų054.7 Ų54.70%036%0.361CS..EExtended strand (participates in β ladder)trans-121.1125.5168.7177.10000108.1V549 F561 A563 I564 I589 I591 L610V549-V608 HydrophobicContact CB-CB 4.41Å; V549-V608 HydrophobicContact CB-CG2 4.18Å; V549-V608 HydrophobicContact CG1-CB 3.89Å; V549-V608 HydrophobicContact CG1-CG1 3.84Å; V549-V608 HydrophobicContact CG1-CG2 4.21Å; V549-V608 HydrophobicContact CG2-CB 4.35Å; V549-V608 HydrophobicContact CG2-CG2 3.92Å; F561-V608 HydrophobicContact CD2-CG1 4.04Å; F561-V608 HydrophobicContact CE2-CG1 3.88Å; A563-V608 CarbonylContact O-C 3.57Å; A563-V608 VanDerWaalsContact O-CA 3.27Å; A563-V608 WeakPolarHBondContact O-CA 3.46Å; I564-V608 HydrophobicContact CB-CG2 4.13Å; I564-V608 HydrophobicContact CD1-CG2 3.75Å; I564-V608 HydrophobicContact CG1-CG2 3.77Å; I589-V608 PolarHBondContact N-O 3.36Å; I589-V608 PolarHBondContact O-N 2.83Å; I591-V608 HydrophobicContact CD1-CG2 4.2Å; V608-L610 HydrophobicContact CG1-CD2 3.94Å
609D97.8Very high73.6Confident17 Ų1760.2 Ų60.29%0.09138%0.382CS..EExtended strand (participates in β ladder)trans-91.1132.2169.3-71.7-34000109.7K562 A563 R588K562-D609 WeakPolarHBondContact CA-O 3.46Å; K562-D609 HydrophobicContact CB-CB 4.18Å; K562-D609 WeakPolarHBondContact CB-O 3.44Å; K562-D609 HydrophobicContact CD-CB 4.43Å; K562-D609 PolarHBondContact N-O 2.99Å; A563-D609 HydrophobicContact CB-CB 4.25Å; A563-D609 PolarHBondContact N-O 2.95Å; A563-D609 VanDerWaalsContact N-O 3.15Å; A563-D609 PolarHBondContact O-N 2.85Å; R588-D609 WeakPolarHBondContact CB-OD1 3.39Å; R588-D609 WeakPolarHBondContact CG-OD1 3.15Å; R588-D609 IonicContact CZ-OD1 2.63Å; R588-D609 IonicContact CZ-OD2 3.37Å; R588-D609 IonicContact NE-OD1 3.98Å; R588-D609 PolarHBondContact NE-OD1 3.2Å; R588-D609 IonicContact NE-OD2 2.77Å; R588-D609 IonicContact NH2-OD1 2.84Å; R588-D609 PolarHBondContact NH2-OD1 3.1Å; R588-D609 IonicContact NH2-OD2 3.37Å; R588-D609 PolarHBondContact NH2-OD2 3.06Å
610L96.4Very high70.5Confident18 Ų1865.1 Ų65.19%0.09440%0.396CS..EExtended strand (participates in β ladder)trans-107.6151.7171.8-57.7178.2000109.8F553 A554 K560 S587 I589 V608 G612F553-L610 HydrophobicContact CB-CD1 3.84Å; A554-L610 HydrophobicContact CB-CD1 4.44Å; A554-L610 HydrophobicContact CB-CD2 4.46Å; K560-L610 CarbonylContact O-C 3.21Å; K560-L610 WeakPolarHBondContact O-CA 3.47Å; K560-L610 WeakPolarHBondContact O-CB 3.38Å; K560-L610 WeakPolarHBondContact O-CD2 3.07Å; S587-L610 WeakPolarHBondContact CB-O 3.39Å; S587-L610 PolarHBondContact O-N 3.37Å; I589-L610 HydrophobicContact CG1-CD1 4.17Å; V608-L610 HydrophobicContact CG1-CD2 3.94Å; L610-G612 PolarHBondContact O-N 3.41Å
611H91.1Very high67.2Low86 Ų8670.5 Ų70.540%0.39842%0.424SS..PPolyproline II helixtrans-63130.8165.4-69.2-71000108.9A559 K560 T613A559-H611 PolarHBondContact O-CD2 2.82Å; K560-H611 PolarHBondContact O-N 2.88Å; H611-T613 PolarHBondContact O-N 3.33Å
612G67.2Low64.2Low67 Ų6773.7 Ų73.769%0.69145%0.446SS*.PPolyproline II helixtrans-55.6130.2-168.700000113L610L610-G612 PolarHBondContact O-N 3.41Å
613T41Very low61.4Low90 Ų9083.3 Ų83.355%0.55249%0.49SS*.PPolyproline II helixtrans-95.9123.2158.641.40000106.8H611 E615H611-T613 PolarHBondContact O-N 3.33Å; T613-E615 PolarHBondContact O-N 3.5Å
614S33.7Very low58.3Low115 Ų11586 Ų8680%0.80452%0.518SS*.PPolyproline II helixtrans-52.5125.9155.4170.40000106.6A616S614-A616 VanDerWaalsContact C-N 3.3Å; S614-A616 PolarHBondContact O-N 3.33Å
615E33.6Very low55.7Low164 Ų16487.6 Ų87.677%0.76654%0.538SS*.  trans-61.494.1174.4-72.2-172.8150.100109T613T613-E615 PolarHBondContact O-N 3.5Å
616A28.6Very low54.1Low91 Ų9190.5 Ų90.575%0.75257%0.568SS**  trans-93.6114.6158.600000107S614S614-A616 VanDerWaalsContact C-N 3.3Å; S614-A616 PolarHBondContact O-N 3.33Å
617S25.4Very low53.2Low101 Ų10191.3 Ų91.371%0.70657%0.571SS**  trans-42.8152.3164.3-59.90000111.6E619S617-E619 PolarHBondContact O-N 2.97Å
618P33.7Very low52.4Low128 Ų12895.9 Ų95.983%0.83159%0.593SS**  trans-69.992.6-176.629.9-32.9000109.6I620P618-I620 PolarHBondContact O-N 3.32Å
619E27.6Very low51.6Low185 Ų18595.9 Ų95.986%0.86459%0.593SS**  trans-80.3108.1160.6-82.8-171.5171.400108.4S617 L621S617-E619 PolarHBondContact O-N 2.97Å; E619-L621 PolarHBondContact O-N 2.89Å
620I31.1Very low50.9Low149 Ų14996.2 Ų96.276%0.76460%0.595SS**  trans-33.6113.9160.2-60.2162.3000108.9P618 P622P618-I620 PolarHBondContact O-N 3.32Å; I620-P622 VanDerWaalsContact O-CD 3.25Å; I620-P622 WeakPolarHBondContact O-CD 3.42Å
621L27.2Very low49.9Very low169 Ų169101.9 Ų101.989%0.88563%0.625SS**  trans-77.6112.4156.6-78.9167.6000106.8E619E619-L621 PolarHBondContact O-N 2.89Å
622P33.3Very low49.4Very low108 Ų10899 Ų9970%0.70161%0.613SS**  trans-75.5143.6165.31.318.7000108.5I620I620-P622 VanDerWaalsContact O-CD 3.25Å; I620-P622 WeakPolarHBondContact O-CD 3.42Å
623Q38.6Very low50.3Low204 Ų20495.8 Ų95.895%0.95358%0.58SS**  trans-50.7137.8169.5-65.5176.6-16.200111.9
624G32.2Very low51.9Low59 Ų5994.3 Ų94.361%0.60858%0.577SS**  trans170.5102.6165.200000117.3
625G43.9Very low53.9Low60 Ų6091.2 Ų91.262%0.61955%0.55SS*.  trans76.1102.514200000120.2L627G625-L627 PolarHBondContact O-N 3.17Å
626G60.1Low56.1Low75 Ų7585 Ų8577%0.77352%0.522SS*.  trans-64.689.5177.400000115.6K661G626-K661 PolarHBondContact O-NZ 3.29Å
627L78.1Confident58.5Low18 Ų1881.5 Ų81.59%0.09449%0.494CS..  trans-99.1140.8163.8-62.9176.1000109.7G625 S629 D630 K661 A666 A667 D697G625-L627 PolarHBondContact O-N 3.17Å; L627-S629 VanDerWaalsContact C-N 3.34Å; L627-D630 PolarHBondContact O-N 3.46Å; L627-K661 HydrophobicContact CD2-CB 4.21Å; L627-K661 HydrophobicContact CD2-CD 3.4Å; L627-K661 HydrophobicContact CD2-CG 4.44Å; L627-A666 HydrophobicContact CD1-CB 3.83Å; L627-A666 HydrophobicContact CD2-CB 4.06Å; L627-A667 HydrophobicContact CD1-CB 3.62Å; L627-D697 WeakPolarHBondContact CA-OD2 3.39Å; L627-D697 HydrophobicContact CD2-CB 4.33Å
628Q80.9Confident60.8Low109 Ų10983.9 Ų83.951%0.50949%0.488SS..SBendtrans-71.3-33.4179-65.5-173.8-28.200111.5D630 L631 D697 M701Q628-D630 PolarHBondContact O-N 3.15Å; Q628-L631 PolarHBondContact O-N 3.38Å; Q628-D697 PolarHBondContact N-OD1 3.16Å; Q628-D697 PolarHBondContact N-OD2 3.13Å; Q628-M701 HydrophobicContact CB-CG 3.66Å; Q628-M701 HydrophobicContact CB-SD 3.92Å
629S81.7Confident62.6Low0 Ų081.3 Ų81.30%046%0.461CS..Hα-helixtrans-60.3-27.8175.1530000113.8L627 L631 V632 F633 D697 F700L627-S629 VanDerWaalsContact C-N 3.34Å; S629-L631 VanDerWaalsContact C-N 3.26Å; S629-L631 PolarHBondContact O-N 3Å; S629-V632 PolarHBondContact O-N 3.28Å; S629-V632 VanDerWaalsContact O-N 3.09Å; S629-F633 WeakPolarHBondContact O-CD2 3.44Å; S629-F633 PolarHBondContact O-N 3.37Å; S629-D697 WeakPolarHBondContact CB-OD1 3.26Å; S629-D697 PolarHBondContact N-OD1 3.22Å; S629-D697 PolarHBondContact OG-OD1 3.15Å; S629-F700 VanDerWaalsContact CB-CD1 3.49Å
630D82.6Confident65Low25 Ų2572.8 Ų72.813%0.13442%0.422CS..Hα-helixtrans-59.5-37.5179.2-74.6-6.8000111.8L627 Q628 A634 W669 R682L627-D630 PolarHBondContact O-N 3.46Å; Q628-D630 PolarHBondContact O-N 3.15Å; D630-A634 WeakPolarHBondContact O-CB 3.3Å; D630-A634 PolarHBondContact O-N 3.11Å; D630-W669 HydrophobicContact CB-CZ2 4.3Å; D630-W669 WeakPolarHBondContact OD1-CZ2 3.3Å; D630-R682 IonicContact OD1-CZ 2.84Å; D630-R682 IonicContact OD1-NH1 3.39Å; D630-R682 IonicContact OD1-NH2 2.82Å; D630-R682 PolarHBondContact OD1-NH2 3.36Å; D630-R682 IonicContact OD2-CZ 3.57Å; D630-R682 IonicContact OD2-NH1 3.2Å; D630-R682 PolarHBondContact OD2-NH1 3.5Å; D630-R682 IonicContact OD2-NH2 3.03Å; D630-R682 PolarHBondContact OD2-NH2 2.83Å
631L77.3Confident67.2Low137 Ų13774.2 Ų74.272%0.71742%0.422SS*.Hα-helixtrans-66.1-39.9177.2-65.2173.8000111.6Q628 S629 A634 E635Q628-L631 PolarHBondContact O-N 3.38Å; S629-L631 VanDerWaalsContact C-N 3.26Å; S629-L631 PolarHBondContact O-N 3Å; L631-A634 PolarHBondContact O-N 3.16Å; L631-E635 PolarHBondContact O-N 2.95Å; L631-E635 VanDerWaalsContact O-N 3.07Å
632V79.9Confident69.3Low24 Ų2472 Ų7215%0.14541%0.412CS..Hα-helixtrans-69.2-45.2179.3-178.90000110.4S629 A634 E635 I636 F700 M701 V704S629-V632 PolarHBondContact O-N 3.28Å; S629-V632 VanDerWaalsContact O-N 3.09Å; V632-A634 VanDerWaalsContact C-N 3.3Å; V632-A634 PolarHBondContact O-N 3.3Å; V632-E635 PolarHBondContact O-N 2.99Å; V632-I636 HydrophobicContact CG1-CD1 3.99Å; V632-I636 HydrophobicContact CG1-CG1 4.43Å; V632-I636 VanDerWaalsContact O-CG1 3.29Å; V632-I636 WeakPolarHBondContact O-CG1 3.5Å; V632-I636 PolarHBondContact O-N 2.77Å; V632-F700 HydrophobicContact CB-CE1 3.76Å; V632-F700 HydrophobicContact CB-CZ 4.26Å; V632-F700 HydrophobicContact CG1-CE1 3.81Å; V632-F700 HydrophobicContact CG1-CZ 3.89Å; V632-F700 HydrophobicContact CG2-CE1 4.03Å; V632-M701 HydrophobicContact CG2-CE 3.91Å; V632-M701 HydrophobicContact CG2-SD 3.61Å; V632-V704 HydrophobicContact CG1-CG1 4.04Å; V632-V704 HydrophobicContact CG1-CG2 4.21Å; V632-V704 HydrophobicContact CG2-CG1 4.46Å
633F85.2Confident71.4Confident1 Ų170.6 Ų70.60%0.00440%0.398CS..Hα-helixtrans-66.3-32.2177-75.5-71.2000112.6S629 I636 G637 W657 I659 W669 I671 V680 F700S629-F633 WeakPolarHBondContact O-CD2 3.44Å; S629-F633 PolarHBondContact O-N 3.37Å; F633-I636 HydrophobicContact CD1-CD1 4.3Å; F633-G637 PolarHBondContact O-N 2.97Å; F633-W657 HydrophobicContact CE1-CB 4.15Å; F633-W657 AromaticContact CE1-CD1 3.65Å; F633-W657 HydrophobicContact CE1-CD2 4.13Å; F633-W657 AromaticContact CE1-CG 3.73Å; F633-W657 HydrophobicContact CE1-CG 3.73Å; F633-W657 AromaticContact CE1-NE1 3.98Å; F633-W657 HydrophobicContact CZ-CB 3.65Å; F633-W657 AromaticContact CZ-CD1 3.96Å; F633-W657 AromaticContact CZ-CD2 3.8Å; F633-W657 HydrophobicContact CZ-CD2 3.8Å; F633-W657 HydrophobicContact CZ-CE3 4.26Å; F633-W657 AromaticContact CZ-CG 3.53Å; F633-W657 HydrophobicContact CZ-CG 3.53Å; F633-I659 HydrophobicContact CE2-CD1 4.08Å; F633-I659 HydrophobicContact CE2-CG1 4.02Å; F633-I659 HydrophobicContact CZ-CD1 4.48Å; F633-W669 HydrophobicContact CB-CD2 3.59Å; F633-W669 HydrophobicContact CB-CE3 3.54Å; F633-W669 HydrophobicContact CB-CG 4.26Å; F633-W669 HydrophobicContact CB-CH2 3.81Å; F633-W669 HydrophobicContact CB-CZ2 3.87Å; F633-W669 HydrophobicContact CB-CZ3 3.64Å; F633-W669 HydrophobicContact CD1-CB 3.84Å; F633-W669 HydrophobicContact CD1-CD2 4.07Å; F633-W669 HydrophobicContact CD1-CE3 4.26Å; F633-W669 AromaticContact CD1-CG 3.91Å; F633-W669 HydrophobicContact CD1-CG 3.91Å; F633-W669 HydrophobicContact CD2-CB 4.26Å; F633-W669 AromaticContact CD2-CD1 3.43Å; F633-W669 VanDerWaalsContact CD2-CD1 3.43Å; F633-W669 AromaticContact CD2-CD2 3.75Å; F633-W669 HydrophobicContact CD2-CD2 3.75Å; F633-W669 AromaticContact CD2-CE2 3.72Å; F633-W669 AromaticContact CD2-CG 3.58Å; F633-W669 HydrophobicContact CD2-CG 3.58Å; F633-W669 HydrophobicContact CD2-CZ2 4.47Å; F633-W669 AromaticContact CD2-NE1 3.51Å; F633-W669 HydrophobicContact CE1-CB 3.75Å; F633-W669 HydrophobicContact CE1-CG 4.13Å; F633-W669 HydrophobicContact CE2-CB 4.2Å; F633-W669 AromaticContact CE2-CD1 3.54Å; F633-W669 HydrophobicContact CE2-CD2 4.48Å; F633-W669 AromaticContact CE2-CG 3.84Å; F633-W669 HydrophobicContact CE2-CG 3.84Å; F633-W669 HydrophobicContact CG-CB 4.11Å; F633-W669 AromaticContact CG-CD1 3.98Å; F633-W669 AromaticContact CG-CD2 3.53Å; F633-W669 HydrophobicContact CG-CD2 3.53Å; F633-W669 AromaticContact CG-CE2 3.86Å; F633-W669 AromaticContact CG-CE3 3.89Å; F633-W669 HydrophobicContact CG-CE3 3.89Å; F633-W669 AromaticContact CG-CG 3.64Å; F633-W669 HydrophobicContact CG-CG 3.64Å; F633-W669 HydrophobicContact CG-CZ2 4.46Å; F633-W669 HydrophobicContact CG-CZ3 4.47Å; F633-W669 HydrophobicContact CZ-CB 3.95Å; F633-W669 HydrophobicContact CZ-CG 4.11Å; F633-I671 HydrophobicContact CD1-CD1 4.39Å; F633-I671 HydrophobicContact CE1-CD1 4.1Å; F633-I671 HydrophobicContact CE1-CG1 4.43Å; F633-V680 HydrophobicContact CD1-CG1 4.45Å; F633-F700 HydrophobicContact CD2-CZ 4.29Å; F633-F700 HydrophobicContact CE1-CZ 4.46Å; F633-F700 HydrophobicContact CE2-CE1 4.1Å; F633-F700 HydrophobicContact CE2-CE2 4.01Å; F633-F700 AromaticContact CE2-CZ 3.62Å; F633-F700 HydrophobicContact CE2-CZ 3.62Å; F633-F700 AromaticContact CZ-CE2 3.79Å; F633-F700 HydrophobicContact CZ-CE2 3.79Å; F633-F700 AromaticContact CZ-CZ 3.71Å; F633-F700 HydrophobicContact CZ-CZ 3.71Å
634A75.9Confident73.2Confident59 Ų5961 Ų6149%0.48835%0.353SS..Hα-helixtrans-63.6-42.1171.400000112.1D630 L631 V632 G637 R638D630-A634 WeakPolarHBondContact O-CB 3.3Å; D630-A634 PolarHBondContact O-N 3.11Å; L631-A634 PolarHBondContact O-N 3.16Å; V632-A634 VanDerWaalsContact C-N 3.3Å; V632-A634 PolarHBondContact O-N 3.3Å; A634-G637 PolarHBondContact O-N 2.78Å; A634-R638 PolarHBondContact O-N 2.91Å
635E75.6Confident75.6Confident50 Ų5061.6 Ų61.623%0.23435%0.348CS..Hα-helixtrans-67-44.4176-17958.4-155.600112L631 V632 G637 R638 R639 L741L631-E635 PolarHBondContact O-N 2.95Å; L631-E635 VanDerWaalsContact O-N 3.07Å; V632-E635 PolarHBondContact O-N 2.99Å; E635-G637 PolarHBondContact O-N 3.48Å; E635-R638 PolarHBondContact O-N 2.63Å; E635-R638 IonicContact OE2-CZ 2.79Å; E635-R638 IonicContact OE2-NH1 2.74Å; E635-R638 PolarHBondContact OE2-NH1 3.45Å; E635-R639 PolarHBondContact O-N 2.71Å; E635-R639 IonicContact OE1-CZ 2.85Å; E635-R639 IonicContact OE1-NE 3.7Å; E635-R639 PolarHBondContact OE1-NE 3.13Å; E635-R639 IonicContact OE1-NH2 3.75Å; E635-L741 HydrophobicContact CG-CD1 4.35Å
636I79.9Confident77.4Confident34 Ų3464.4 Ų64.417%0.17435%0.345CS..Hα-helixtrans-57.6-43.5172.6-63.5168.6000109.4V632 F633 R638 R639 V640 I671 V680V632-I636 HydrophobicContact CG1-CD1 3.99Å; V632-I636 HydrophobicContact CG1-CG1 4.43Å; V632-I636 VanDerWaalsContact O-CG1 3.29Å; V632-I636 WeakPolarHBondContact O-CG1 3.5Å; V632-I636 PolarHBondContact O-N 2.77Å; F633-I636 HydrophobicContact CD1-CD1 4.3Å; I636-R638 PolarHBondContact O-N 2.85Å; I636-R639 PolarHBondContact O-N 2.77Å; I636-V640 HydrophobicContact CG2-CG2 4.15Å; I636-V640 WeakPolarHBondContact O-CB 3.5Å; I636-V640 VanDerWaalsContact O-CG2 3.27Å; I636-V640 WeakPolarHBondContact O-CG2 3.44Å; I636-V640 PolarHBondContact O-N 2.89Å; I636-I671 HydrophobicContact CD1-CD1 4.35Å; I636-I671 HydrophobicContact CG2-CD1 4.01Å; I636-V680 HydrophobicContact CG2-CG2 3.9Å
637G79.3Confident78.3Confident16 Ų1661.6 Ų61.617%0.16531%0.312CS..Hα-helixtrans-59.7-41.2176.600000113.7F633 A634 E635 K641F633-G637 PolarHBondContact O-N 2.97Å; A634-G637 PolarHBondContact O-N 2.78Å; E635-G637 PolarHBondContact O-N 3.48Å; G637-K641 WeakPolarHBondContact O-CG 3.41Å; G637-K641 PolarHBondContact O-N 2.82Å
638R73.3Confident78.6Confident152 Ų15261.6 Ų61.657%0.57431%0.313SS*.Hα-helixtrans-61.5-48.8174.3-171-172.3-66.5136.52.2110.9A634 E635 I636 V640 K641 D642A634-R638 PolarHBondContact O-N 2.91Å; E635-R638 PolarHBondContact O-N 2.63Å; E635-R638 IonicContact OE2-CZ 2.79Å; E635-R638 IonicContact OE2-NH1 2.74Å; E635-R638 PolarHBondContact OE2-NH1 3.45Å; I636-R638 PolarHBondContact O-N 2.85Å; R638-V640 PolarHBondContact O-N 3.29Å; R638-K641 WeakPolarHBondContact O-CB 3.36Å; R638-K641 PolarHBondContact O-N 2.87Å; R638-K641 VanDerWaalsContact O-N 3.08Å; R638-D642 PolarHBondContact O-N 2.91Å
639R71.6Confident78.7Confident73 Ų7365.1 Ų65.128%0.27533%0.327SS..Hα-helixtrans-70-33.1-177.1-64.6-169.6-174.6-155.6-1.7113.6E635 I636 K641 D642 L643 Y738E635-R639 PolarHBondContact O-N 2.71Å; E635-R639 IonicContact OE1-CZ 2.85Å; E635-R639 IonicContact OE1-NE 3.7Å; E635-R639 PolarHBondContact OE1-NE 3.13Å; E635-R639 IonicContact OE1-NH2 3.75Å; I636-R639 PolarHBondContact O-N 2.77Å; R639-K641 PolarHBondContact O-N 2.93Å; R639-D642 PolarHBondContact O-N 2.9Å; R639-D642 VanDerWaalsContact O-N 3.14Å; R639-L643 PolarHBondContact O-N 3.1Å; R639-Y738 HydrophobicContact CB-CE1 4.48Å; R639-Y738 VanDerWaalsContact CD-CE1 3.45Å
640V78.4Confident78.7Confident6 Ų672.2 Ų72.24%0.03636%0.358CS..Hα-helixtrans-63.8-30.3172.2171.80000110.8I636 R638 G644 L647 L673 V680I636-V640 HydrophobicContact CG2-CG2 4.15Å; I636-V640 WeakPolarHBondContact O-CB 3.5Å; I636-V640 VanDerWaalsContact O-CG2 3.27Å; I636-V640 WeakPolarHBondContact O-CG2 3.44Å; I636-V640 PolarHBondContact O-N 2.89Å; R638-V640 PolarHBondContact O-N 3.29Å; V640-G644 WeakPolarHBondContact O-CA 3.44Å; V640-G644 PolarHBondContact O-N 3.24Å; V640-L647 HydrophobicContact CG2-CD1 4.5Å; V640-L673 HydrophobicContact CG1-CD2 4.2Å; V640-L673 HydrophobicContact CG2-CD2 4.13Å; V640-V680 HydrophobicContact CB-CG2 4.26Å; V640-V680 HydrophobicContact CG2-CG2 3.99Å
641K76.1Confident78.8Confident179 Ų17971.1 Ų71.178%0.77835%0.352SS*.Hα-helixtrans-67.3-36.3171.5-68.9176.9179.6-177.10112.8G637 R638 R639G637-K641 WeakPolarHBondContact O-CG 3.41Å; G637-K641 PolarHBondContact O-N 2.82Å; R638-K641 WeakPolarHBondContact O-CB 3.36Å; R638-K641 PolarHBondContact O-N 2.87Å; R638-K641 VanDerWaalsContact O-N 3.08Å; R639-K641 PolarHBondContact O-N 2.93Å
642D72.2Confident79.3Confident124 Ų12469.3 Ų69.366%0.66334%0.343SS*.Hα-helixtrans-81.3-40.8-176.6-61.1-26.6000112.9R638 R639R638-D642 PolarHBondContact O-N 2.91Å; R639-D642 PolarHBondContact O-N 2.9Å; R639-D642 VanDerWaalsContact O-N 3.14Å
643L77.4Confident79.8Confident77 Ų7768.1 Ų68.140%0.40334%0.336SS..Hα-helixtrans-117.70.1-170.4-63.6173.9000114.1R639 S645 E646 L647R639-L643 PolarHBondContact O-N 3.1Å; L643-S645 VanDerWaalsContact C-N 3.31Å; L643-S645 PolarHBondContact O-N 3.38Å; L643-S645 VanDerWaalsContact O-N 3.17Å; L643-E646 PolarHBondContact O-N 2.63Å; L643-L647 HydrophobicContact CB-CD1 4.22Å; L643-L647 HydrophobicContact CB-CG 4.39Å; L643-L647 PolarHBondContact O-N 2.85Å
644G76.2Confident80.1Confident2 Ų268.4 Ų68.42%0.02134%0.338CS..Hα-helixtrans-63.3-30.2-163.200000115V640 E646 L647 V648 S677V640-G644 WeakPolarHBondContact O-CA 3.44Å; V640-G644 PolarHBondContact O-N 3.24Å; G644-E646 VanDerWaalsContact C-N 3.27Å; G644-E646 PolarHBondContact O-N 3.28Å; G644-L647 PolarHBondContact O-N 3.03Å; G644-V648 WeakPolarHBondContact O-CB 3.4Å; G644-V648 WeakPolarHBondContact O-CG2 3.48Å; G644-V648 PolarHBondContact O-N 3.36Å; G644-S677 CarbonylContact C-O 3.58Å; G644-S677 WeakPolarHBondContact CA-O 3.41Å
645S81.4Confident80.8Confident73 Ų7365.6 Ų65.651%0.5132%0.315SS..Hα-helixtrans-61.6-32.1173.7-64.30000113.5L643 K649 S677L643-S645 VanDerWaalsContact C-N 3.31Å; L643-S645 PolarHBondContact O-N 3.38Å; L643-S645 VanDerWaalsContact O-N 3.17Å; S645-K649 WeakPolarHBondContact O-CG 3.33Å; S645-S677 PolarHBondContact N-O 2.8Å
646E81.9Confident81.5Confident118 Ų11863.4 Ų63.455%0.55131%0.306SS*.Hα-helixtrans-79.5-39.7174.3-63.6-165.9168.100111.8L643 G644 K649 K650L643-E646 PolarHBondContact O-N 2.63Å; G644-E646 VanDerWaalsContact C-N 3.27Å; G644-E646 PolarHBondContact O-N 3.28Å; E646-K649 PolarHBondContact O-N 3.46Å; E646-K650 WeakPolarHBondContact O-CG 3.33Å; E646-K650 PolarHBondContact O-N 3Å
647L79.3Confident82.1Confident16 Ų1662.6 Ų62.68%0.08430%0.3CS..Hα-helixtrans-65.4-40.8179.1-64.4174.8000111.4V640 L643 G644 K649 K650 V651 L673 I734V640-L647 HydrophobicContact CG2-CD1 4.5Å; L643-L647 HydrophobicContact CB-CD1 4.22Å; L643-L647 HydrophobicContact CB-CG 4.39Å; L643-L647 PolarHBondContact O-N 2.85Å; G644-L647 PolarHBondContact O-N 3.03Å; L647-K649 VanDerWaalsContact C-N 3.32Å; L647-K649 PolarHBondContact O-N 3.19Å; L647-K650 PolarHBondContact O-N 3.49Å; L647-V651 WeakPolarHBondContact O-CB 3.42Å; L647-V651 VanDerWaalsContact O-CG2 3.28Å; L647-V651 WeakPolarHBondContact O-CG2 3.37Å; L647-V651 PolarHBondContact O-N 3.36Å; L647-L673 HydrophobicContact CB-CD1 4.41Å; L647-L673 HydrophobicContact CB-CD2 3.89Å; L647-I734 HydrophobicContact CD2-CD1 3.91Å; L647-I734 HydrophobicContact CD2-CG1 4.26Å; L647-I734 HydrophobicContact CD2-CG2 4.47Å
648V84.6Confident82.8Confident19 Ų1963.6 Ų63.612%0.11530%0.301CS..Hα-helixtrans-58.1-44.7175.5169.70000111G644 K650 N652 L673G644-V648 WeakPolarHBondContact O-CB 3.4Å; G644-V648 WeakPolarHBondContact O-CG2 3.48Å; G644-V648 PolarHBondContact O-N 3.36Å; V648-K650 VanDerWaalsContact C-N 3.33Å; V648-K650 PolarHBondContact O-N 3.39Å; V648-N652 WeakPolarHBondContact O-CA 3.44Å; V648-N652 PolarHBondContact O-N 3.2Å; V648-L673 WeakPolarHBondContact CA-O 3.18Å
649K83.5Confident83.8Confident182 Ų18256.4 Ų56.479%0.79127%0.273SS*.Hα-helixtrans-63-37.2177.6-71.7176.9-177.4177.30112.8S645 E646 L647S645-K649 WeakPolarHBondContact O-CG 3.33Å; E646-K649 PolarHBondContact O-N 3.46Å; L647-K649 VanDerWaalsContact C-N 3.32Å; L647-K649 PolarHBondContact O-N 3.19Å
650K81.3Confident84.7Confident149 Ų14954.3 Ų54.365%0.64827%0.269SS*.Hα-helixtrans-79.5-37.7-177.4-72.1175.9178.7171.30112.7E646 L647 V648E646-K650 WeakPolarHBondContact O-CG 3.33Å; E646-K650 PolarHBondContact O-N 3Å; L647-K650 PolarHBondContact O-N 3.49Å; V648-K650 VanDerWaalsContact C-N 3.33Å; V648-K650 PolarHBondContact O-N 3.39Å
651V84.8Confident85.1Confident3 Ų358.1 Ų58.12%0.01829%0.285CS..Hα-helixtrans-97.5-51.5-169-174.40000112.3L647 A653 F655 L673 I734L647-V651 WeakPolarHBondContact O-CB 3.42Å; L647-V651 VanDerWaalsContact O-CG2 3.28Å; L647-V651 WeakPolarHBondContact O-CG2 3.37Å; L647-V651 PolarHBondContact O-N 3.36Å; V651-A653 HydrophobicContact CG1-CB 4.15Å; V651-F655 HydrophobicContact CG1-CE2 3.45Å; V651-F655 VanDerWaalsContact CG1-CE2 3.45Å; V651-F655 HydrophobicContact CG1-CZ 3.55Å; V651-L673 HydrophobicContact CB-CB 4.06Å; V651-L673 HydrophobicContact CB-CD1 4.28Å; V651-L673 HydrophobicContact CG1-CB 4.23Å; V651-L673 HydrophobicContact CG1-CD1 4.32Å; V651-L673 HydrophobicContact CG2-CD1 4.03Å; V651-I734 HydrophobicContact CG2-CD1 3.08Å; V651-I734 HydrophobicContact CG2-CG1 4.41Å
652N88.6Confident85.3Confident98 Ų9854.7 Ų54.752%0.52429%0.29SS..  trans52.650.2-179.8-167.925.9000113.5V648 L673 K674V648-N652 WeakPolarHBondContact O-CA 3.44Å; V648-N652 PolarHBondContact O-N 3.2Å; N652-L673 VanDerWaalsContact CA-O 3.29Å; N652-L673 WeakPolarHBondContact CA-O 3.27Å; N652-L673 PolarHBondContact N-O 2.54Å; N652-L673 VanDerWaalsContact N-O 3.17Å; N652-K674 WeakPolarHBondContact OD1-CG 3.35Å
653A89.2Confident85.5Confident0 Ų052.2 Ų52.20%029%0.294CS..EExtended strand (participates in β ladder)trans-153.8155.5-178.400000112.9V651 F655 L673 D690 L727V651-A653 HydrophobicContact CG1-CB 4.15Å; A653-F655 HydrophobicContact CB-CE1 4.39Å; A653-F655 HydrophobicContact CB-CE2 3.93Å; A653-F655 HydrophobicContact CB-CZ 3.75Å; A653-L673 PolarHBondContact N-O 2.94Å; A653-L673 CarbonylContact O-C 3.54Å; A653-L673 VanDerWaalsContact O-C 3.27Å; A653-L673 WeakPolarHBondContact O-CA 3.5Å; A653-L673 PolarHBondContact O-N 3.18Å; A653-D690 WeakPolarHBondContact CA-OD2 3.38Å; A653-D690 HydrophobicContact CB-CB 4.29Å; A653-L727 HydrophobicContact CB-CD1 3.97Å; A653-L727 HydrophobicContact CB-CD2 4.39Å
654V90.8Very high85.6Confident7 Ų755.9 Ų55.94%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-107.2126.7172.2-173.70000110T670 I671 D672 K674 V689 D690 V691V654-T670 HydrophobicContact CG1-CG2 3.67Å; V654-I671 WeakPolarHBondContact CA-O 3.44Å; V654-D672 HydrophobicContact CG1-CB 4.42Å; V654-D672 HydrophobicContact CG2-CB 4.42Å; V654-K674 HydrophobicContact CG2-CB 3.79Å; V654-K674 HydrophobicContact CG2-CD 4Å; V654-V689 HydrophobicContact CG1-CG2 4.02Å; V654-D690 PolarHBondContact N-OD2 3.36Å; V654-D690 PolarHBondContact O-N 2.98Å; V654-V691 PolarHBondContact O-N 3.45Å
655F91.2Very high86.2Confident0 Ų060.7 Ų60.70%033%0.329CS..EExtended strand (participates in β ladder)trans-111.7125.7-178.9-54.2-85.8000111.3V651 A653 T670 I671 V691 F693 L727 L731V651-F655 HydrophobicContact CG1-CE2 3.45Å; V651-F655 VanDerWaalsContact CG1-CE2 3.45Å; V651-F655 HydrophobicContact CG1-CZ 3.55Å; A653-F655 HydrophobicContact CB-CE1 4.39Å; A653-F655 HydrophobicContact CB-CE2 3.93Å; A653-F655 HydrophobicContact CB-CZ 3.75Å; F655-T670 CarbonylContact O-C 3.53Å; F655-T670 WeakPolarHBondContact O-CA 3.09Å; F655-I671 HydrophobicContact CB-CB 4.42Å; F655-I671 PolarHBondContact N-O 3.19Å; F655-I671 PolarHBondContact O-N 3.41Å; F655-V691 CarbonylContact C-O 3.59Å; F655-V691 WeakPolarHBondContact CA-O 3.43Å; F655-V691 HydrophobicContact CD1-CB 4.05Å; F655-V691 HydrophobicContact CD1-CG2 4.49Å; F655-V691 HydrophobicContact CE1-CB 4.48Å; F655-V691 HydrophobicContact CE1-CG2 4.45Å; F655-F693 HydrophobicContact CB-CE2 4.34Å; F655-F693 AromaticContact CD1-CE2 3.8Å; F655-F693 HydrophobicContact CD1-CE2 3.8Å; F655-F693 HydrophobicContact CD1-CZ 4.39Å; F655-F693 HydrophobicContact CG-CE2 4.45Å; F655-L727 HydrophobicContact CE1-CB 4.46Å; F655-L727 WeakPolarHBondContact CE1-O 3.37Å; F655-L731 HydrophobicContact CD1-CD2 3.87Å; F655-L731 HydrophobicContact CD2-CD1 4.19Å; F655-L731 HydrophobicContact CE1-CB 4.09Å; F655-L731 HydrophobicContact CE1-CD2 4.17Å; F655-L731 HydrophobicContact CE2-CD1 4.1Å; F655-L731 HydrophobicContact CG-CD2 4.04Å; F655-L731 HydrophobicContact CZ-CB 4.15Å; F655-L731 HydrophobicContact CZ-CD1 4.34Å
656G91.6Very high86.4Confident4 Ų459.3 Ų59.34%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-96.2148170.400000111.4W669 V691 T692 F693G656-W669 CarbonylContact C-O 3.55Å; G656-W669 WeakPolarHBondContact CA-O 3.32Å; G656-V691 PolarHBondContact N-O 3.35Å; G656-T692 CarbonylContact O-C 3.55Å; G656-T692 VanDerWaalsContact O-CA 3.26Å; G656-T692 WeakPolarHBondContact O-CA 3.29Å; G656-F693 PolarHBondContact O-N 3.34Å
657W92.2Very high86.7Confident17 Ų1754.1 Ų54.16%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-134.3123.8178.1-65.586.8000109.5F633 E668 W669 F693 L695 F700 L731F633-W657 HydrophobicContact CE1-CB 4.15Å; F633-W657 AromaticContact CE1-CD1 3.65Å; F633-W657 HydrophobicContact CE1-CD2 4.13Å; F633-W657 AromaticContact CE1-CG 3.73Å; F633-W657 HydrophobicContact CE1-CG 3.73Å; F633-W657 AromaticContact CE1-NE1 3.98Å; F633-W657 HydrophobicContact CZ-CB 3.65Å; F633-W657 AromaticContact CZ-CD1 3.96Å; F633-W657 AromaticContact CZ-CD2 3.8Å; F633-W657 HydrophobicContact CZ-CD2 3.8Å; F633-W657 HydrophobicContact CZ-CE3 4.26Å; F633-W657 AromaticContact CZ-CG 3.53Å; F633-W657 HydrophobicContact CZ-CG 3.53Å; W657-E668 CarbonylContact O-C 3.46Å; W657-E668 VanDerWaalsContact O-CA 3.25Å; W657-E668 WeakPolarHBondContact O-CA 3.38Å; W657-W669 HydrophobicContact CB-CB 4.09Å; W657-W669 PolarHBondContact N-O 3.16Å; W657-W669 PolarHBondContact O-N 2.84Å; W657-F693 CarbonylContact C-O 3.29Å; W657-F693 WeakPolarHBondContact CA-O 2.96Å; W657-F693 HydrophobicContact CD2-CB 4.01Å; W657-F693 AromaticContact CD2-CD2 3.94Å; W657-F693 HydrophobicContact CD2-CD2 3.94Å; W657-F693 HydrophobicContact CD2-CG 4.32Å; W657-F693 AromaticContact CE2-CD2 3.75Å; W657-F693 HydrophobicContact CE3-CB 3.49Å; W657-F693 VanDerWaalsContact CE3-CB 3.49Å; W657-F693 HydrophobicContact CE3-CD2 4.12Å; W657-F693 HydrophobicContact CE3-CG 4.04Å; W657-F693 HydrophobicContact CH2-CB 4.34Å; W657-F693 AromaticContact CH2-CD2 3.97Å; W657-F693 HydrophobicContact CH2-CD2 3.97Å; W657-F693 HydrophobicContact CH2-CE2 4.43Å; W657-F693 HydrophobicContact CH2-CG 4.06Å; W657-F693 AromaticContact CZ2-CD2 3.81Å; W657-F693 HydrophobicContact CZ2-CD2 3.81Å; W657-F693 HydrophobicContact CZ2-CE2 4.11Å; W657-F693 HydrophobicContact CZ2-CG 4.37Å; W657-F693 HydrophobicContact CZ3-CB 3.66Å; W657-F693 HydrophobicContact CZ3-CD2 4.11Å; W657-F693 AromaticContact CZ3-CG 3.88Å; W657-F693 HydrophobicContact CZ3-CG 3.88Å; W657-L695 HydrophobicContact CE3-CD2 3.93Å; W657-L695 HydrophobicContact CZ3-CD2 4Å; W657-F700 HydrophobicContact CE3-CD2 4.15Å; W657-F700 AromaticContact CE3-CE2 3.88Å; W657-F700 HydrophobicContact CE3-CE2 3.88Å; W657-F700 HydrophobicContact CH2-CE2 4.18Å; W657-F700 AromaticContact CZ3-CD2 3.92Å; W657-F700 HydrophobicContact CZ3-CD2 3.92Å; W657-F700 AromaticContact CZ3-CE2 3.71Å; W657-F700 HydrophobicContact CZ3-CE2 3.71Å; W657-L731 HydrophobicContact CH2-CD2 4.38Å; W657-L731 HydrophobicContact CZ2-CD2 3.61Å
658E93.6Very high87.3Confident37 Ų3755.6 Ų55.617%0.17331%0.306CS..EExtended strand (participates in β ladder)trans-108.9104.6173.2-62.1-172.2132.300108.2K665 T692 F693 T694 L695 R722E658-K665 IonicContact OE1-NZ 3.58Å; E658-K665 PolarHBondContact OE1-NZ 3.4Å; E658-T692 HydrophobicContact CG-CG2 4.04Å; E658-F693 PolarHBondContact N-O 2.82Å; E658-T694 HydrophobicContact CB-CG2 3.94Å; E658-T694 WeakPolarHBondContact O-CA 3.43Å; E658-T694 PolarHBondContact OE2-OG1 3.05Å; E658-L695 PolarHBondContact O-N 3.32Å; E658-R722 IonicContact OE2-NH2 3.19Å
659I93.3Very high87.6Confident0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-90128.4176.8-55.7-57.6000108.7F633 A666 A667 L695 D697 F700F633-I659 HydrophobicContact CE2-CD1 4.08Å; F633-I659 HydrophobicContact CE2-CG1 4.02Å; F633-I659 HydrophobicContact CZ-CD1 4.48Å; I659-A666 PolarHBondContact O-N 3.27Å; I659-A667 HydrophobicContact CB-CB 4.32Å; I659-A667 PolarHBondContact N-O 3.4Å; I659-A667 PolarHBondContact O-N 3.49Å; I659-A667 VanDerWaalsContact O-N 3.09Å; I659-L695 HydrophobicContact CD1-CD2 4.14Å; I659-D697 HydrophobicContact CG2-CB 3.84Å; I659-F700 HydrophobicContact CD1-CB 4.24Å; I659-F700 HydrophobicContact CD1-CD2 3.95Å; I659-F700 HydrophobicContact CD1-CE2 4.48Å; I659-F700 HydrophobicContact CD1-CG 4.03Å
660T90.8Very high88Confident30 Ų3047.4 Ų47.418%0.18427%0.269CS..EExtended strand (participates in β ladder)trans-109148.6177.958.20000111.4E664 T694 L695 S696 D697T660-E664 CarbonylContact C-O 3.53Å; T660-E664 WeakPolarHBondContact CA-O 3.48Å; T660-E664 VanDerWaalsContact CB-O 3.29Å; T660-E664 WeakPolarHBondContact CB-O 3.26Å; T660-T694 HydrophobicContact CG2-CG2 4.25Å; T660-L695 PolarHBondContact N-O 3.25Å; T660-L695 PolarHBondContact OG1-O 2.93Å; T660-L695 VanDerWaalsContact OG1-O 3.04Å; T660-S696 CarbonylContact O-C 3.58Å; T660-S696 VanDerWaalsContact O-CA 3.24Å; T660-S696 WeakPolarHBondContact O-CA 3.47Å; T660-S696 WeakPolarHBondContact OG1-CA 3.37Å; T660-S696 PolarHBondContact OG1-N 3.29Å; T660-D697 PolarHBondContact O-N 2.89Å
661K87Confident88.4Confident85 Ų8540.5 Ų40.537%0.3724%0.239SC..EExtended strand (participates in β ladder)trans-136.9129.9171.1-171.1161.1-177.2164.60108.1G626 L627 G663 E664 A666G626-K661 PolarHBondContact O-NZ 3.29Å; L627-K661 HydrophobicContact CD2-CB 4.21Å; L627-K661 HydrophobicContact CD2-CD 3.4Å; L627-K661 HydrophobicContact CD2-CG 4.44Å; K661-G663 PolarHBondContact O-N 3.26Å; K661-G663 VanDerWaalsContact O-N 3.13Å; K661-E664 PolarHBondContact N-O 3.03Å; K661-E664 PolarHBondContact O-N 2.91Å; K661-A666 HydrophobicContact CB-CB 3.76Å
662A80.9Confident88.6Confident108 Ų10841.5 Ų41.589%0.89324%0.244SC*.THydrogen-bonded Turntrans52.230.6-172.700000114.6
663G75.5Confident88.6Confident72 Ų7237 Ų3774%0.74222%0.22SC*.THydrogen-bonded Turntrans88.2-5.6177.300000115.8K661K661-G663 PolarHBondContact O-N 3.26Å; K661-G663 VanDerWaalsContact O-N 3.13Å
664E81Confident88.5Confident154 Ų15440.8 Ų40.872%0.7224%0.236SC*.EExtended strand (participates in β ladder)trans-106.2152176.3-63.3-170.5166.600111.6T660 K661 A666T660-E664 CarbonylContact C-O 3.53Å; T660-E664 WeakPolarHBondContact CA-O 3.48Å; T660-E664 VanDerWaalsContact CB-O 3.29Å; T660-E664 WeakPolarHBondContact CB-O 3.26Å; K661-E664 PolarHBondContact N-O 3.03Å; K661-E664 PolarHBondContact O-N 2.91Å; E664-A666 PolarHBondContact O-N 3.36Å; E664-A666 VanDerWaalsContact O-N 3.16Å
665K88.1Confident88.1Confident102 Ų10244.8 Ų44.844%0.44326%0.258SS..EExtended strand (participates in β ladder)trans-67.4111.5176.1-175.5171.9178.7169.40109.1E658 E668E658-K665 IonicContact OE1-NZ 3.58Å; E658-K665 PolarHBondContact OE1-NZ 3.4Å; K665-E668 IonicContact NZ-OE1 2.57Å; K665-E668 PolarHBondContact NZ-OE1 3.11Å; K665-E668 IonicContact NZ-OE2 3.74Å; K665-E668 PolarHBondContact NZ-OE2 3.08Å
666A85.7Confident87.8Confident45 Ų4548.3 Ų48.337%0.37229%0.294SS..EExtended strand (participates in β ladder)trans-98.7-32.1-175.800000112.4L627 I659 K661 E664L627-A666 HydrophobicContact CD1-CB 3.83Å; L627-A666 HydrophobicContact CD2-CB 4.06Å; I659-A666 PolarHBondContact O-N 3.27Å; K661-A666 HydrophobicContact CB-CB 3.76Å; E664-A666 PolarHBondContact O-N 3.36Å; E664-A666 VanDerWaalsContact O-N 3.16Å
667A87.9Confident87.4Confident8 Ų851.4 Ų51.47%0.06632%0.315CS..EExtended strand (participates in β ladder)trans-151.1156.8172.900000111.7L627 I659L627-A667 HydrophobicContact CD1-CB 3.62Å; I659-A667 HydrophobicContact CB-CB 4.32Å; I659-A667 PolarHBondContact N-O 3.4Å; I659-A667 PolarHBondContact O-N 3.49Å; I659-A667 VanDerWaalsContact O-N 3.09Å
668E91.5Very high87.1Confident47 Ų4751.1 Ų51.122%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-125.4138.3169.3-173.1161.3-135.300109W657 K665 R682 G683W657-E668 CarbonylContact O-C 3.46Å; W657-E668 VanDerWaalsContact O-CA 3.25Å; W657-E668 WeakPolarHBondContact O-CA 3.38Å; K665-E668 IonicContact NZ-OE1 2.57Å; K665-E668 PolarHBondContact NZ-OE1 3.11Å; K665-E668 IonicContact NZ-OE2 3.74Å; K665-E668 PolarHBondContact NZ-OE2 3.08Å; E668-R682 CarbonylContact O-C 3.56Å; E668-G683 PolarHBondContact O-N 2.79Å
669W91.3Very high86.7Confident25 Ų2551.4 Ų51.410%0.09532%0.323CS..EExtended strand (participates in β ladder)trans-134.3144.7178.9-6791.2000110.4D630 F633 G656 W657 V680 L681 R682D630-W669 HydrophobicContact CB-CZ2 4.3Å; D630-W669 WeakPolarHBondContact OD1-CZ2 3.3Å; F633-W669 HydrophobicContact CB-CD2 3.59Å; F633-W669 HydrophobicContact CB-CE3 3.54Å; F633-W669 HydrophobicContact CB-CG 4.26Å; F633-W669 HydrophobicContact CB-CH2 3.81Å; F633-W669 HydrophobicContact CB-CZ2 3.87Å; F633-W669 HydrophobicContact CB-CZ3 3.64Å; F633-W669 HydrophobicContact CD1-CB 3.84Å; F633-W669 HydrophobicContact CD1-CD2 4.07Å; F633-W669 HydrophobicContact CD1-CE3 4.26Å; F633-W669 AromaticContact CD1-CG 3.91Å; F633-W669 HydrophobicContact CD1-CG 3.91Å; F633-W669 HydrophobicContact CD2-CB 4.26Å; F633-W669 AromaticContact CD2-CD1 3.43Å; F633-W669 VanDerWaalsContact CD2-CD1 3.43Å; F633-W669 AromaticContact CD2-CD2 3.75Å; F633-W669 HydrophobicContact CD2-CD2 3.75Å; F633-W669 AromaticContact CD2-CE2 3.72Å; F633-W669 AromaticContact CD2-CG 3.58Å; F633-W669 HydrophobicContact CD2-CG 3.58Å; F633-W669 HydrophobicContact CD2-CZ2 4.47Å; F633-W669 AromaticContact CD2-NE1 3.51Å; F633-W669 HydrophobicContact CE1-CB 3.75Å; F633-W669 HydrophobicContact CE1-CG 4.13Å; F633-W669 HydrophobicContact CE2-CB 4.2Å; F633-W669 AromaticContact CE2-CD1 3.54Å; F633-W669 HydrophobicContact CE2-CD2 4.48Å; F633-W669 AromaticContact CE2-CG 3.84Å; F633-W669 HydrophobicContact CE2-CG 3.84Å; F633-W669 HydrophobicContact CG-CB 4.11Å; F633-W669 AromaticContact CG-CD1 3.98Å; F633-W669 AromaticContact CG-CD2 3.53Å; F633-W669 HydrophobicContact CG-CD2 3.53Å; F633-W669 AromaticContact CG-CE2 3.86Å; F633-W669 AromaticContact CG-CE3 3.89Å; F633-W669 HydrophobicContact CG-CE3 3.89Å; F633-W669 AromaticContact CG-CG 3.64Å; F633-W669 HydrophobicContact CG-CG 3.64Å; F633-W669 HydrophobicContact CG-CZ2 4.46Å; F633-W669 HydrophobicContact CG-CZ3 4.47Å; F633-W669 HydrophobicContact CZ-CB 3.95Å; F633-W669 HydrophobicContact CZ-CG 4.11Å; G656-W669 CarbonylContact C-O 3.55Å; G656-W669 WeakPolarHBondContact CA-O 3.32Å; W657-W669 HydrophobicContact CB-CB 4.09Å; W657-W669 PolarHBondContact N-O 3.16Å; W657-W669 PolarHBondContact O-N 2.84Å; W669-V680 HydrophobicContact CE3-CG1 4.06Å; W669-V680 HydrophobicContact CZ3-CG1 4.36Å; W669-L681 CarbonylContact C-O 3.58Å; W669-L681 WeakPolarHBondContact CA-O 3.11Å; W669-R682 HydrophobicContact CD2-CB 4.07Å; W669-R682 HydrophobicContact CD2-CG 4.02Å; W669-R682 HydrophobicContact CE3-CB 3.74Å; W669-R682 HydrophobicContact CE3-CG 4.21Å; W669-R682 HydrophobicContact CH2-CB 3.75Å; W669-R682 HydrophobicContact CH2-CG 3.97Å; W669-R682 HydrophobicContact CZ2-CB 4.05Å; W669-R682 HydrophobicContact CZ2-CG 3.74Å; W669-R682 HydrophobicContact CZ3-CB 3.58Å; W669-R682 HydrophobicContact CZ3-CG 4.2Å
670T91.1Very high86.5Confident4 Ų452.9 Ų52.93%0.02533%0.332CS..EExtended strand (participates in β ladder)trans-123.6125.9175.5-59.80000109V654 F655 V680 L681 G683 P685V654-T670 HydrophobicContact CG1-CG2 3.67Å; F655-T670 CarbonylContact O-C 3.53Å; F655-T670 WeakPolarHBondContact O-CA 3.09Å; T670-V680 CarbonylContact O-C 3.51Å; T670-V680 WeakPolarHBondContact O-CA 3.24Å; T670-L681 PolarHBondContact N-O 3.18Å; T670-L681 PolarHBondContact O-N 3.39Å; T670-G683 PolarHBondContact OG1-O 3.15Å; T670-G683 VanDerWaalsContact OG1-O 3.05Å; T670-P685 HydrophobicContact CG2-CB 3.85Å; T670-P685 WeakPolarHBondContact OG1-CA 3.45Å
671I90.3Very high86.2Confident4 Ų455.8 Ų55.82%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-108.1108170.1-55.4177.2000107.3F633 I636 V654 F655 L673 S679 V680F633-I671 HydrophobicContact CD1-CD1 4.39Å; F633-I671 HydrophobicContact CE1-CD1 4.1Å; F633-I671 HydrophobicContact CE1-CG1 4.43Å; I636-I671 HydrophobicContact CD1-CD1 4.35Å; I636-I671 HydrophobicContact CG2-CD1 4.01Å; V654-I671 WeakPolarHBondContact CA-O 3.44Å; F655-I671 HydrophobicContact CB-CB 4.42Å; F655-I671 PolarHBondContact N-O 3.19Å; F655-I671 PolarHBondContact O-N 3.41Å; I671-L673 HydrophobicContact CG2-CD1 4.21Å; I671-L673 HydrophobicContact CG2-CG 3.93Å; I671-S679 CarbonylContact C-O 3.45Å; I671-V680 HydrophobicContact CG1-CG1 4.28Å; I671-V680 HydrophobicContact CG1-CG2 4.19Å; I671-V680 HydrophobicContact CG2-CG2 4.23Å
672D88.9Confident86.2Confident24 Ų2457.6 Ų57.613%0.12835%0.351CS..EExtended strand (participates in β ladder)trans-92.7108.1174.2-170.4-24.3000109.3V654 K674 N675 G678 S679V654-D672 HydrophobicContact CG1-CB 4.42Å; V654-D672 HydrophobicContact CG2-CB 4.42Å; D672-K674 WeakPolarHBondContact OD1-CA 3.28Å; D672-K674 WeakPolarHBondContact OD1-CB 3.3Å; D672-K674 PolarHBondContact OD1-N 3.03Å; D672-N675 PolarHBondContact OD1-N 2.92Å; D672-N675 PolarHBondContact OD1-ND2 2.79Å; D672-N675 PolarHBondContact OD2-ND2 2.85Å; D672-G678 CarbonylContact O-C 3.43Å; D672-G678 WeakPolarHBondContact O-CA 3.22Å; D672-S679 PolarHBondContact N-O 2.72Å; D672-S679 PolarHBondContact O-N 2.97Å
673L88.7Confident86.1Confident4 Ų453.3 Ų53.32%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-116.137.9170-64.3177.1000110.4V640 L647 V648 V651 N652 A653 I671 I734V640-L673 HydrophobicContact CG1-CD2 4.2Å; V640-L673 HydrophobicContact CG2-CD2 4.13Å; L647-L673 HydrophobicContact CB-CD1 4.41Å; L647-L673 HydrophobicContact CB-CD2 3.89Å; V648-L673 WeakPolarHBondContact CA-O 3.18Å; V651-L673 HydrophobicContact CB-CB 4.06Å; V651-L673 HydrophobicContact CB-CD1 4.28Å; V651-L673 HydrophobicContact CG1-CB 4.23Å; V651-L673 HydrophobicContact CG1-CD1 4.32Å; V651-L673 HydrophobicContact CG2-CD1 4.03Å; N652-L673 VanDerWaalsContact CA-O 3.29Å; N652-L673 WeakPolarHBondContact CA-O 3.27Å; N652-L673 PolarHBondContact N-O 2.54Å; N652-L673 VanDerWaalsContact N-O 3.17Å; A653-L673 PolarHBondContact N-O 2.94Å; A653-L673 CarbonylContact O-C 3.54Å; A653-L673 VanDerWaalsContact O-C 3.27Å; A653-L673 WeakPolarHBondContact O-CA 3.5Å; A653-L673 PolarHBondContact O-N 3.18Å; I671-L673 HydrophobicContact CG2-CD1 4.21Å; I671-L673 HydrophobicContact CG2-CG 3.93Å; L673-I734 HydrophobicContact CD1-CD1 4.4Å
674K87.1Confident85.9Confident79 Ų7954.5 Ų54.534%0.34331%0.312SS..SBendtrans-125-38.2-179.5-166.4175.5-165.4163.40111.7N652 V654 D672 D690N652-K674 WeakPolarHBondContact OD1-CG 3.35Å; V654-K674 HydrophobicContact CG2-CB 3.79Å; V654-K674 HydrophobicContact CG2-CD 4Å; D672-K674 WeakPolarHBondContact OD1-CA 3.28Å; D672-K674 WeakPolarHBondContact OD1-CB 3.3Å; D672-K674 PolarHBondContact OD1-N 3.03Å; K674-D690 IonicContact NZ-OD1 3.55Å; K674-D690 PolarHBondContact NZ-OD1 2.84Å; K674-D690 VanDerWaalsContact NZ-OD1 3.1Å; K674-D690 IonicContact NZ-OD2 2.79Å; K674-D690 PolarHBondContact NZ-OD2 2.81Å
675N81.5Confident85.4Confident92 Ų9249.3 Ų49.349%0.49229%0.291SS..SBendtrans-111146.7-173.1-54.3-58.2000111.9D672 G678D672-N675 PolarHBondContact OD1-N 2.92Å; D672-N675 PolarHBondContact OD1-ND2 2.79Å; D672-N675 PolarHBondContact OD2-ND2 2.85Å; N675-G678 PolarHBondContact O-N 3.44Å
676G85.2Confident84.2Confident74 Ų7448.9 Ų48.976%0.76332%0.316SS*.THydrogen-bonded Turntrans56-137.8176.700000113.3G678G676-G678 VanDerWaalsContact C-N 3.27Å
677S83.1Confident83.6Confident68 Ų6849.2 Ų49.248%0.47632%0.323SS..THydrogen-bonded Turntrans-89.112.1171.859.90000112.8G644 S645G644-S677 CarbonylContact C-O 3.58Å; G644-S677 WeakPolarHBondContact CA-O 3.41Å; S645-S677 PolarHBondContact N-O 2.8Å
678G85.8Confident83.3Confident11 Ų1157.5 Ų57.511%0.11336%0.358CS..  trans79.5152.9-172.500000113.6D672 N675 G676D672-G678 CarbonylContact O-C 3.43Å; D672-G678 WeakPolarHBondContact O-CA 3.22Å; N675-G678 PolarHBondContact O-N 3.44Å; G676-G678 VanDerWaalsContact C-N 3.27Å
679S86.6Confident83.2Confident44 Ų4456.8 Ų56.831%0.30836%0.357SS..EExtended strand (participates in β ladder)trans-152.7159179.864.60000112.7I671 D672I671-S679 CarbonylContact C-O 3.45Å; D672-S679 PolarHBondContact N-O 2.72Å; D672-S679 PolarHBondContact O-N 2.97Å
680V88.1Confident83.1Confident31 Ų3157 Ų5719%0.18836%0.36CS..EExtended strand (participates in β ladder)trans-125.5127.9170-177.20000108.1F633 I636 V640 W669 T670 I671F633-V680 HydrophobicContact CD1-CG1 4.45Å; I636-V680 HydrophobicContact CG2-CG2 3.9Å; V640-V680 HydrophobicContact CB-CG2 4.26Å; V640-V680 HydrophobicContact CG2-CG2 3.99Å; W669-V680 HydrophobicContact CE3-CG1 4.06Å; W669-V680 HydrophobicContact CZ3-CG1 4.36Å; T670-V680 CarbonylContact O-C 3.51Å; T670-V680 WeakPolarHBondContact O-CA 3.24Å; I671-V680 HydrophobicContact CG1-CG1 4.28Å; I671-V680 HydrophobicContact CG1-CG2 4.19Å; I671-V680 HydrophobicContact CG2-CG2 4.23Å
681L85Confident83.1Confident91 Ų9156.9 Ų56.948%0.47636%0.359SS..EExtended strand (participates in β ladder)trans-128.3137.6-176-68.1132.3000109.6W669 T670W669-L681 CarbonylContact C-O 3.58Å; W669-L681 WeakPolarHBondContact CA-O 3.11Å; T670-L681 PolarHBondContact N-O 3.18Å; T670-L681 PolarHBondContact O-N 3.39Å
682R86.1Confident83.1Confident123 Ų12358.2 Ų58.246%0.46437%0.367SS..EExtended strand (participates in β ladder)trans-85.5116166.3-166.6176.1-176.2158.48.4107.9D630 E668 W669D630-R682 IonicContact OD1-CZ 2.84Å; D630-R682 IonicContact OD1-NH1 3.39Å; D630-R682 IonicContact OD1-NH2 2.82Å; D630-R682 PolarHBondContact OD1-NH2 3.36Å; D630-R682 IonicContact OD2-CZ 3.57Å; D630-R682 IonicContact OD2-NH1 3.2Å; D630-R682 PolarHBondContact OD2-NH1 3.5Å; D630-R682 IonicContact OD2-NH2 3.03Å; D630-R682 PolarHBondContact OD2-NH2 2.83Å; E668-R682 CarbonylContact O-C 3.56Å; W669-R682 HydrophobicContact CD2-CB 4.07Å; W669-R682 HydrophobicContact CD2-CG 4.02Å; W669-R682 HydrophobicContact CE3-CB 3.74Å; W669-R682 HydrophobicContact CE3-CG 4.21Å; W669-R682 HydrophobicContact CH2-CB 3.75Å; W669-R682 HydrophobicContact CH2-CG 3.97Å; W669-R682 HydrophobicContact CZ2-CB 4.05Å; W669-R682 HydrophobicContact CZ2-CG 3.74Å; W669-R682 HydrophobicContact CZ3-CB 3.58Å; W669-R682 HydrophobicContact CZ3-CG 4.2Å
683G78.9Confident83.2Confident18 Ų1857.6 Ų57.619%0.18636%0.364CS..SBendtrans127.3177.4-177.100000113.6E668 T670E668-G683 PolarHBondContact O-N 2.79Å; T670-G683 PolarHBondContact OG1-O 3.15Å; T670-G683 VanDerWaalsContact OG1-O 3.05Å
684P72.1Confident83.4Confident97 Ų9758.3 Ų58.363%0.6337%0.368SS*.SBendtrans-63.2152.7-178.127.6-35000110.9
685P70.1Confident83.8Confident45 Ų4554.8 Ų54.829%0.29235%0.353SS..  trans-66.4140-17832.4-41.1000110.8T670 G687 V689T670-P685 HydrophobicContact CG2-CB 3.85Å; T670-P685 WeakPolarHBondContact OG1-CA 3.45Å; P685-G687 WeakPolarHBondContact CB-O 3.39Å; P685-G687 WeakPolarHBondContact CG-O 3.44Å; P685-G687 PolarHBondContact O-N 2.94Å; P685-G687 VanDerWaalsContact O-N 3.12Å; P685-V689 HydrophobicContact CB-CG2 3.36Å; P685-V689 HydrophobicContact CG-CB 4.48Å; P685-V689 HydrophobicContact CG-CG2 3.36Å
686G63.2Low84.3Confident93 Ų9351.3 Ų51.396%0.95934%0.336SS*.SBendtrans-68.5-0.8169.800000114.2
687G73.8Confident84.6Confident51 Ų5147.9 Ų47.953%0.52630%0.3SS..SBendtrans-159.9-167.4-176.300000113.2P685 V689P685-G687 WeakPolarHBondContact CB-O 3.39Å; P685-G687 WeakPolarHBondContact CG-O 3.44Å; P685-G687 PolarHBondContact O-N 2.94Å; P685-G687 VanDerWaalsContact O-N 3.12Å; G687-V689 PolarHBondContact O-N 3.32Å
688K81.4Confident84.9Confident183 Ų18349 Ų4980%0.79630%0.298SS*.  trans-72119.8-177.7-171.9178.4-179.6-179.50111.4
689V88.2Confident85Confident31 Ų3149.6 Ų49.619%0.18830%0.298CS..  trans-78133.6171.6167.70000110.4V654 P685 G687 V691 T692V654-V689 HydrophobicContact CG1-CG2 4.02Å; P685-V689 HydrophobicContact CB-CG2 3.36Å; P685-V689 HydrophobicContact CG-CB 4.48Å; P685-V689 HydrophobicContact CG-CG2 3.36Å; G687-V689 PolarHBondContact O-N 3.32Å; V689-V691 VanDerWaalsContact CG1-C 3.44Å; V689-V691 WeakPolarHBondContact CG1-O 3.46Å; V689-T692 WeakPolarHBondContact CG1-OG1 3.45Å
690D90.5Very high85.1Confident31 Ų3147.7 Ų47.717%0.16628%0.284CS..SBendtrans-83.2-34.4-179.8-64.6-63.5000111.3A653 V654 K674 N724 L727A653-D690 WeakPolarHBondContact CA-OD2 3.38Å; A653-D690 HydrophobicContact CB-CB 4.29Å; V654-D690 PolarHBondContact N-OD2 3.36Å; V654-D690 PolarHBondContact O-N 2.98Å; K674-D690 IonicContact NZ-OD1 3.55Å; K674-D690 PolarHBondContact NZ-OD1 2.84Å; K674-D690 VanDerWaalsContact NZ-OD1 3.1Å; K674-D690 IonicContact NZ-OD2 2.79Å; K674-D690 PolarHBondContact NZ-OD2 2.81Å; D690-N724 PolarHBondContact O-N 3.48Å; D690-L727 HydrophobicContact CB-CD1 3.8Å
691V90.7Very high85Confident0 Ų048.2 Ų48.20%029%0.285CS..EExtended strand (participates in β ladder)trans-146.3136.4176.8-173.40000111.2V654 F655 G656 V689 F693 V721 R722 N724 L727V654-V691 PolarHBondContact O-N 3.45Å; F655-V691 CarbonylContact C-O 3.59Å; F655-V691 WeakPolarHBondContact CA-O 3.43Å; F655-V691 HydrophobicContact CD1-CB 4.05Å; F655-V691 HydrophobicContact CD1-CG2 4.49Å; F655-V691 HydrophobicContact CE1-CB 4.48Å; F655-V691 HydrophobicContact CE1-CG2 4.45Å; G656-V691 PolarHBondContact N-O 3.35Å; V689-V691 VanDerWaalsContact CG1-C 3.44Å; V689-V691 WeakPolarHBondContact CG1-O 3.46Å; V691-F693 HydrophobicContact CB-CE2 4.5Å; V691-F693 HydrophobicContact CG1-CE1 4.26Å; V691-F693 HydrophobicContact CG1-CE2 3.97Å; V691-F693 HydrophobicContact CG1-CZ 3.81Å; V691-V721 HydrophobicContact CG1-CG1 3.5Å; V691-V721 VanDerWaalsContact CG1-CG1 3.5Å; V691-R722 CarbonylContact C-O 3.44Å; V691-R722 WeakPolarHBondContact CA-O 3.34Å; V691-N724 HydrophobicContact CG2-CB 4.41Å; V691-N724 WeakPolarHBondContact CG2-O 3.37Å; V691-L727 HydrophobicContact CG2-CB 3.72Å
692T91.1Very high84.9Confident33 Ų3347.6 Ų47.620%0.20228%0.28CS..EExtended strand (participates in β ladder)trans-118.5131174.7-51.10000111G656 E658 V689 V721 R722G656-T692 CarbonylContact O-C 3.55Å; G656-T692 VanDerWaalsContact O-CA 3.26Å; G656-T692 WeakPolarHBondContact O-CA 3.29Å; E658-T692 HydrophobicContact CG-CG2 4.04Å; V689-T692 WeakPolarHBondContact CG1-OG1 3.45Å; T692-V721 CarbonylContact O-C 3.53Å; T692-V721 WeakPolarHBondContact O-CA 2.99Å; T692-R722 PolarHBondContact N-O 3.38Å; T692-R722 PolarHBondContact O-N 3.5Å
693F91.1Very high84.6Confident11 Ų1143.1 Ų43.15%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-105.7133.6174.5-58.2-84.7000110.1F655 G656 W657 E658 V691 L695 L719 K720 V721 L731F655-F693 HydrophobicContact CB-CE2 4.34Å; F655-F693 AromaticContact CD1-CE2 3.8Å; F655-F693 HydrophobicContact CD1-CE2 3.8Å; F655-F693 HydrophobicContact CD1-CZ 4.39Å; F655-F693 HydrophobicContact CG-CE2 4.45Å; G656-F693 PolarHBondContact O-N 3.34Å; W657-F693 CarbonylContact C-O 3.29Å; W657-F693 WeakPolarHBondContact CA-O 2.96Å; W657-F693 HydrophobicContact CD2-CB 4.01Å; W657-F693 AromaticContact CD2-CD2 3.94Å; W657-F693 HydrophobicContact CD2-CD2 3.94Å; W657-F693 HydrophobicContact CD2-CG 4.32Å; W657-F693 AromaticContact CE2-CD2 3.75Å; W657-F693 HydrophobicContact CE3-CB 3.49Å; W657-F693 VanDerWaalsContact CE3-CB 3.49Å; W657-F693 HydrophobicContact CE3-CD2 4.12Å; W657-F693 HydrophobicContact CE3-CG 4.04Å; W657-F693 HydrophobicContact CH2-CB 4.34Å; W657-F693 AromaticContact CH2-CD2 3.97Å; W657-F693 HydrophobicContact CH2-CD2 3.97Å; W657-F693 HydrophobicContact CH2-CE2 4.43Å; W657-F693 HydrophobicContact CH2-CG 4.06Å; W657-F693 AromaticContact CZ2-CD2 3.81Å; W657-F693 HydrophobicContact CZ2-CD2 3.81Å; W657-F693 HydrophobicContact CZ2-CE2 4.11Å; W657-F693 HydrophobicContact CZ2-CG 4.37Å; W657-F693 HydrophobicContact CZ3-CB 3.66Å; W657-F693 HydrophobicContact CZ3-CD2 4.11Å; W657-F693 AromaticContact CZ3-CG 3.88Å; W657-F693 HydrophobicContact CZ3-CG 3.88Å; E658-F693 PolarHBondContact N-O 2.82Å; V691-F693 HydrophobicContact CB-CE2 4.5Å; V691-F693 HydrophobicContact CG1-CE1 4.26Å; V691-F693 HydrophobicContact CG1-CE2 3.97Å; V691-F693 HydrophobicContact CG1-CZ 3.81Å; F693-L695 HydrophobicContact CB-CD2 4.46Å; F693-L719 HydrophobicContact CB-CD1 4.08Å; F693-L719 HydrophobicContact CD1-CD1 4.08Å; F693-K720 CarbonylContact C-O 3.59Å; F693-K720 WeakPolarHBondContact CA-O 3.46Å; F693-V721 HydrophobicContact CD1-CG1 4.3Å; F693-V721 HydrophobicContact CD1-CG2 3.7Å; F693-V721 HydrophobicContact CE1-CG1 4.12Å; F693-V721 HydrophobicContact CE1-CG2 3.92Å; F693-L731 HydrophobicContact CD2-CD2 4.47Å; F693-L731 HydrophobicContact CE2-CD2 3.55Å; F693-L731 HydrophobicContact CZ-CD2 3.85Å
694T93.1Very high84.7Confident18 Ų1844.3 Ų44.311%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-124.6124.7174.6-46.10000109.4E658 T660 K720E658-T694 HydrophobicContact CB-CG2 3.94Å; E658-T694 WeakPolarHBondContact O-CA 3.43Å; E658-T694 PolarHBondContact OE2-OG1 3.05Å; T660-T694 HydrophobicContact CG2-CG2 4.25Å; T694-K720 PolarHBondContact N-O 3.09Å; T694-K720 PolarHBondContact O-N 3.42Å
695L93.9Very high84.7Confident5 Ų542.9 Ų42.93%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-160168.9178.366.1171.3000111.7W657 E658 I659 T660 F693 F700 K718 L719W657-L695 HydrophobicContact CE3-CD2 3.93Å; W657-L695 HydrophobicContact CZ3-CD2 4Å; E658-L695 PolarHBondContact O-N 3.32Å; I659-L695 HydrophobicContact CD1-CD2 4.14Å; T660-L695 PolarHBondContact N-O 3.25Å; T660-L695 PolarHBondContact OG1-O 2.93Å; T660-L695 VanDerWaalsContact OG1-O 3.04Å; F693-L695 HydrophobicContact CB-CD2 4.46Å; L695-F700 HydrophobicContact CD1-CB 3.68Å; L695-F700 HydrophobicContact CD1-CD2 4.1Å; L695-F700 HydrophobicContact CD1-CG 4.39Å; L695-F700 HydrophobicContact CD2-CD2 4.18Å; L695-F700 HydrophobicContact CG-CB 3.91Å; L695-F700 HydrophobicContact CG-CD2 4.4Å; L695-K718 WeakPolarHBondContact CB-O 2.92Å; L695-L719 HydrophobicContact CB-CD1 4.14Å; L695-L719 HydrophobicContact CD1-CD1 4.09Å; L695-L719 HydrophobicContact CD2-CD1 3.94Å; L695-L719 HydrophobicContact CG-CD1 4.29Å
696S93.2Very high85.1Confident20 Ų2043.3 Ų43.314%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-73.8155.8175.568.40000111.9T660 E698 D699 F700T660-S696 CarbonylContact O-C 3.58Å; T660-S696 VanDerWaalsContact O-CA 3.24Å; T660-S696 WeakPolarHBondContact O-CA 3.47Å; T660-S696 WeakPolarHBondContact OG1-CA 3.37Å; T660-S696 PolarHBondContact OG1-N 3.29Å; S696-E698 PolarHBondContact O-N 3.45Å; S696-D699 PolarHBondContact O-N 3.39Å; S696-D699 WeakPolarHBondContact OG-CB 3.48Å; S696-D699 PolarHBondContact OG-N 3.27Å; S696-D699 PolarHBondContact OG-OD2 2.88Å; S696-F700 VanDerWaalsContact O-CB 3.28Å; S696-F700 WeakPolarHBondContact O-CB 3.47Å; S696-F700 PolarHBondContact O-N 3.22Å
697D90.1Very high85.8Confident1 Ų147 Ų471%0.00526%0.262CS..Hα-helixtrans-55.3-40.9173.3-167.148000110.4L627 Q628 S629 I659 T660 M701L627-D697 WeakPolarHBondContact CA-OD2 3.39Å; L627-D697 HydrophobicContact CD2-CB 4.33Å; Q628-D697 PolarHBondContact N-OD1 3.16Å; Q628-D697 PolarHBondContact N-OD2 3.13Å; S629-D697 WeakPolarHBondContact CB-OD1 3.26Å; S629-D697 PolarHBondContact N-OD1 3.22Å; S629-D697 PolarHBondContact OG-OD1 3.15Å; I659-D697 HydrophobicContact CG2-CB 3.84Å; T660-D697 PolarHBondContact O-N 2.89Å; D697-M701 WeakPolarHBondContact O-CG 3.49Å; D697-M701 PolarHBondContact O-N 3.34Å
698E89.5Confident86.1Confident91 Ų9145.4 Ų45.443%0.42524%0.241SC..Hα-helixtrans-68.4-49.2178.1-62.178.7-168.400112.7S696 F700 M701 E702S696-E698 PolarHBondContact O-N 3.45Å; E698-F700 VanDerWaalsContact C-N 3.26Å; E698-F700 PolarHBondContact O-N 3.44Å; E698-M701 PolarHBondContact O-N 3.24Å; E698-E702 PolarHBondContact O-N 3.49Å
699D87.9Confident86.1Confident24 Ų2443.1 Ų43.113%0.12823%0.233CC..Hα-helixtrans-65.6-31.9178.9-68.3-53.5000111.1S696 E702 V703 L708 K718S696-D699 PolarHBondContact O-N 3.39Å; S696-D699 WeakPolarHBondContact OG-CB 3.48Å; S696-D699 PolarHBondContact OG-N 3.27Å; S696-D699 PolarHBondContact OG-OD2 2.88Å; D699-E702 PolarHBondContact O-N 3.19Å; D699-V703 VanDerWaalsContact O-CG2 3.3Å; D699-V703 WeakPolarHBondContact O-CG2 3.07Å; D699-V703 PolarHBondContact O-N 2.78Å; D699-L708 HydrophobicContact CB-CD2 4.45Å; D699-K718 WeakPolarHBondContact OD1-CD 3.4Å; D699-K718 IonicContact OD1-NZ 2.76Å; D699-K718 PolarHBondContact OD1-NZ 3.25Å
700F89.3Confident85.7Confident4 Ų443.8 Ų43.82%0.01824%0.238CC..Hα-helixtrans-61.8-44.7174.1177.8-96.7000111.3S629 V632 F633 W657 I659 L695 S696 E698 V703 V704S629-F700 VanDerWaalsContact CB-CD1 3.49Å; V632-F700 HydrophobicContact CB-CE1 3.76Å; V632-F700 HydrophobicContact CB-CZ 4.26Å; V632-F700 HydrophobicContact CG1-CE1 3.81Å; V632-F700 HydrophobicContact CG1-CZ 3.89Å; V632-F700 HydrophobicContact CG2-CE1 4.03Å; F633-F700 HydrophobicContact CD2-CZ 4.29Å; F633-F700 HydrophobicContact CE1-CZ 4.46Å; F633-F700 HydrophobicContact CE2-CE1 4.1Å; F633-F700 HydrophobicContact CE2-CE2 4.01Å; F633-F700 AromaticContact CE2-CZ 3.62Å; F633-F700 HydrophobicContact CE2-CZ 3.62Å; F633-F700 AromaticContact CZ-CE2 3.79Å; F633-F700 HydrophobicContact CZ-CE2 3.79Å; F633-F700 AromaticContact CZ-CZ 3.71Å; F633-F700 HydrophobicContact CZ-CZ 3.71Å; W657-F700 HydrophobicContact CE3-CD2 4.15Å; W657-F700 AromaticContact CE3-CE2 3.88Å; W657-F700 HydrophobicContact CE3-CE2 3.88Å; W657-F700 HydrophobicContact CH2-CE2 4.18Å; W657-F700 AromaticContact CZ3-CD2 3.92Å; W657-F700 HydrophobicContact CZ3-CD2 3.92Å; W657-F700 AromaticContact CZ3-CE2 3.71Å; W657-F700 HydrophobicContact CZ3-CE2 3.71Å; I659-F700 HydrophobicContact CD1-CB 4.24Å; I659-F700 HydrophobicContact CD1-CD2 3.95Å; I659-F700 HydrophobicContact CD1-CE2 4.48Å; I659-F700 HydrophobicContact CD1-CG 4.03Å; L695-F700 HydrophobicContact CD1-CB 3.68Å; L695-F700 HydrophobicContact CD1-CD2 4.1Å; L695-F700 HydrophobicContact CD1-CG 4.39Å; L695-F700 HydrophobicContact CD2-CD2 4.18Å; L695-F700 HydrophobicContact CG-CB 3.91Å; L695-F700 HydrophobicContact CG-CD2 4.4Å; S696-F700 VanDerWaalsContact O-CB 3.28Å; S696-F700 WeakPolarHBondContact O-CB 3.47Å; S696-F700 PolarHBondContact O-N 3.22Å; E698-F700 VanDerWaalsContact C-N 3.26Å; E698-F700 PolarHBondContact O-N 3.44Å; F700-V703 PolarHBondContact O-N 3.21Å; F700-V704 HydrophobicContact CD1-CG2 4.26Å; F700-V704 HydrophobicContact CD2-CG2 4.48Å; F700-V704 HydrophobicContact CE1-CG2 3.89Å; F700-V704 HydrophobicContact CE2-CG2 4.13Å; F700-V704 HydrophobicContact CZ-CG2 3.83Å; F700-V704 WeakPolarHBondContact O-CG2 3.34Å; F700-V704 PolarHBondContact O-N 2.98Å
701M85.1Confident85.2Confident42 Ų4248.2 Ų48.221%0.20726%0.258CS..Hα-helixtrans-65.7-38.7176.2-66.9-52.7-61.600112.2Q628 V632 D697 E698 V703 V704 T705Q628-M701 HydrophobicContact CB-CG 3.66Å; Q628-M701 HydrophobicContact CB-SD 3.92Å; V632-M701 HydrophobicContact CG2-CE 3.91Å; V632-M701 HydrophobicContact CG2-SD 3.61Å; D697-M701 WeakPolarHBondContact O-CG 3.49Å; D697-M701 PolarHBondContact O-N 3.34Å; E698-M701 PolarHBondContact O-N 3.24Å; M701-V703 VanDerWaalsContact C-N 3.3Å; M701-V703 PolarHBondContact O-N 2.85Å; M701-V704 PolarHBondContact O-N 2.96Å; M701-T705 WeakPolarHBondContact O-CB 3.35Å; M701-T705 VanDerWaalsContact O-CG2 3.3Å; M701-T705 WeakPolarHBondContact O-CG2 3.29Å; M701-T705 PolarHBondContact O-N 3.24Å; M701-T705 PolarHBondContact O-OG1 3.38Å
702E82.7Confident84.7Confident78 Ų7855.1 Ų55.136%0.36429%0.288SS..Hα-helixtrans-63.6-37174.1-68.8-169.6173.200112.4E698 D699 T705 G706 K707 L708E698-E702 PolarHBondContact O-N 3.49Å; D699-E702 PolarHBondContact O-N 3.19Å; E702-T705 PolarHBondContact O-OG1 3.27Å; E702-G706 PolarHBondContact O-N 2.7Å; E702-K707 HydrophobicContact CB-CB 4.25Å; E702-K707 PolarHBondContact O-N 2.62Å; E702-L708 HydrophobicContact CB-CB 3.63Å; E702-L708 PolarHBondContact O-N 3Å
703V81.6Confident84.4Confident29 Ų2953.6 Ų53.618%0.17628%0.279CS..Hα-helixtrans-67.6-46.7176.41690000111.5D699 F700 M701 G706 L708 P710 A713D699-V703 VanDerWaalsContact O-CG2 3.3Å; D699-V703 WeakPolarHBondContact O-CG2 3.07Å; D699-V703 PolarHBondContact O-N 2.78Å; F700-V703 PolarHBondContact O-N 3.21Å; M701-V703 VanDerWaalsContact C-N 3.3Å; M701-V703 PolarHBondContact O-N 2.85Å; V703-G706 PolarHBondContact O-N 2.82Å; V703-L708 WeakPolarHBondContact CA-O 3.26Å; V703-L708 HydrophobicContact CG2-CB 4.2Å; V703-L708 HydrophobicContact CG2-CD2 4.11Å; V703-L708 HydrophobicContact CG2-CG 4.19Å; V703-P710 HydrophobicContact CG1-CG 3.94Å; V703-A713 HydrophobicContact CG2-CB 4.31Å
704V79.3Confident84Confident44 Ų4457 Ų5727%0.26729%0.293SS..Hα-helixtrans-68.2-38.2-178.6172.40000111.8V632 F700 M701 G706V632-V704 HydrophobicContact CG1-CG1 4.04Å; V632-V704 HydrophobicContact CG1-CG2 4.21Å; V632-V704 HydrophobicContact CG2-CG1 4.46Å; F700-V704 HydrophobicContact CD1-CG2 4.26Å; F700-V704 HydrophobicContact CD2-CG2 4.48Å; F700-V704 HydrophobicContact CE1-CG2 3.89Å; F700-V704 HydrophobicContact CE2-CG2 4.13Å; F700-V704 HydrophobicContact CZ-CG2 3.83Å; F700-V704 WeakPolarHBondContact O-CG2 3.34Å; F700-V704 PolarHBondContact O-N 2.98Å; M701-V704 PolarHBondContact O-N 2.96Å; V704-G706 PolarHBondContact O-N 3.17Å
705T74.1Confident83.4Confident67 Ų6764.7 Ų64.741%0.41133%0.326SS..THydrogen-bonded Turntrans-79.72.7176.9590000113.6M701 E702 K707M701-T705 WeakPolarHBondContact O-CB 3.35Å; M701-T705 VanDerWaalsContact O-CG2 3.3Å; M701-T705 WeakPolarHBondContact O-CG2 3.29Å; M701-T705 PolarHBondContact O-N 3.24Å; M701-T705 PolarHBondContact O-OG1 3.38Å; E702-T705 PolarHBondContact O-OG1 3.27Å; T705-K707 PolarHBondContact O-N 3.44Å
706G76.6Confident82.9Confident54 Ų5467.8 Ų67.856%0.55735%0.348SS*.THydrogen-bonded Turntrans73.26.1178.200000115.2E702 V703 V704E702-G706 PolarHBondContact O-N 2.7Å; V703-G706 PolarHBondContact O-N 2.82Å; V704-G706 PolarHBondContact O-N 3.17Å
707K78.8Confident82.5Confident171 Ų17168.8 Ų68.874%0.74336%0.361SS*.SBendtrans-72.2-29.5176.3-67.5179.3-178.8174.60112.4E702 T705E702-K707 HydrophobicContact CB-CB 4.25Å; E702-K707 PolarHBondContact O-N 2.62Å; T705-K707 PolarHBondContact O-N 3.44Å
708L79.9Confident82.3Confident17 Ų1773.1 Ų73.19%0.08938%0.38CS..SBendtrans-121.6118.5176.5-177.961.6000110.6D699 E702 V703 A713 K718D699-L708 HydrophobicContact CB-CD2 4.45Å; E702-L708 HydrophobicContact CB-CB 3.63Å; E702-L708 PolarHBondContact O-N 3Å; V703-L708 WeakPolarHBondContact CA-O 3.26Å; V703-L708 HydrophobicContact CG2-CB 4.2Å; V703-L708 HydrophobicContact CG2-CD2 4.11Å; V703-L708 HydrophobicContact CG2-CG 4.19Å; L708-A713 HydrophobicContact CD2-CB 3.72Å; L708-A713 HydrophobicContact CG-CB 3.96Å; L708-K718 HydrophobicContact CD2-CD 4.21Å
709Q80.6Confident82.3Confident135 Ų13569.5 Ų69.563%0.63136%0.364SS*.  trans-68.7130.8176.2-68.8-176.61.600110.7Q711 K712 A713Q709-Q711 VanDerWaalsContact C-N 3.27Å; Q709-Q711 PolarHBondContact O-N 3.27Å; Q709-K712 HydrophobicContact CB-CB 4.29Å; Q709-K712 WeakPolarHBondContact O-CB 3.42Å; Q709-K712 PolarHBondContact O-N 3.03Å; Q709-A713 PolarHBondContact O-N 3.3Å
710P80.6Confident82.4Confident45 Ų4574.3 Ų74.329%0.29238%0.384SS..Hα-helixtrans-53.7-39-178.4-25.629000114.1V703 K712 A713 F714 L719V703-P710 HydrophobicContact CG1-CG 3.94Å; P710-K712 PolarHBondContact O-N 3.45Å; P710-A713 WeakPolarHBondContact O-CB 3.39Å; P710-A713 PolarHBondContact O-N 3.35Å; P710-F714 PolarHBondContact O-N 3.12Å; P710-L719 HydrophobicContact CB-CD2 4.47Å
711Q79.1Confident82.3Confident124 Ų12475.1 Ų75.158%0.57939%0.389SS*.Hα-helixtrans-63-42.1177.7-67.2180-1000111.7Q709 F714 F715Q709-Q711 VanDerWaalsContact C-N 3.27Å; Q709-Q711 PolarHBondContact O-N 3.27Å; Q711-F714 PolarHBondContact O-N 2.72Å; Q711-F715 WeakPolarHBondContact O-CD2 3.37Å; Q711-F715 PolarHBondContact O-N 2.89Å
712K81.2Confident82.5Confident144 Ų14480.5 Ų80.563%0.62641%0.407SS*.Hα-helixtrans-69.5-38.1177-168.6178.6-179.9-177.50111.5Q709 P710 F714 S716Q709-K712 HydrophobicContact CB-CB 4.29Å; Q709-K712 WeakPolarHBondContact O-CB 3.42Å; Q709-K712 PolarHBondContact O-N 3.03Å; P710-K712 PolarHBondContact O-N 3.45Å; K712-F714 VanDerWaalsContact C-N 3.28Å; K712-F714 PolarHBondContact O-N 3.06Å; K712-S716 WeakPolarHBondContact O-CB 3.42Å; K712-S716 PolarHBondContact O-N 3.36Å; K712-S716 PolarHBondContact O-OG 3.24Å
713A84.4Confident82.7Confident1 Ų179.6 Ų79.61%0.00842%0.418CS..Hα-helixtrans-60.5-39.217300000111.5V703 L708 Q709 P710 S716 G717 K718 L719V703-A713 HydrophobicContact CG2-CB 4.31Å; L708-A713 HydrophobicContact CD2-CB 3.72Å; L708-A713 HydrophobicContact CG-CB 3.96Å; Q709-A713 PolarHBondContact O-N 3.3Å; P710-A713 WeakPolarHBondContact O-CB 3.39Å; P710-A713 PolarHBondContact O-N 3.35Å; A713-S716 PolarHBondContact O-OG 3.46Å; A713-G717 PolarHBondContact O-N 3.19Å; A713-K718 HydrophobicContact CB-CB 4.42Å; A713-K718 PolarHBondContact O-N 3.06Å; A713-L719 HydrophobicContact CB-CB 3.68Å; A713-L719 PolarHBondContact O-N 3.38Å
714F83.4Confident82.9Confident82 Ų8282.2 Ų82.236%0.3643%0.431SS..Hα-helixtrans-67.4-51.5177.6-175.7-103.5000112.7P710 Q711 K712 S716 G717 L719 V721P710-F714 PolarHBondContact O-N 3.12Å; Q711-F714 PolarHBondContact O-N 2.72Å; K712-F714 VanDerWaalsContact C-N 3.28Å; K712-F714 PolarHBondContact O-N 3.06Å; F714-S716 VanDerWaalsContact C-N 3.26Å; F714-S716 PolarHBondContact O-N 2.82Å; F714-G717 PolarHBondContact O-N 3.34Å; F714-L719 WeakPolarHBondContact CA-O 3.46Å; F714-L719 VanDerWaalsContact CD2-O 3.31Å; F714-L719 WeakPolarHBondContact CD2-O 3.44Å; F714-V721 HydrophobicContact CD2-CB 4.31Å; F714-V721 HydrophobicContact CD2-CG2 3.8Å; F714-V721 HydrophobicContact CE2-CB 3.91Å; F714-V721 HydrophobicContact CE2-CG2 3.93Å
715F80.8Confident82.9Confident180 Ų18084.3 Ų84.379%0.78944%0.44SS*.Hα-helixtrans-66.5-25.4179.9-74.6-64.2000113.9Q711 G717Q711-F715 WeakPolarHBondContact O-CD2 3.37Å; Q711-F715 PolarHBondContact O-N 2.89Å; F715-G717 VanDerWaalsContact C-N 3.31Å
716S83.1Confident83.1Confident70 Ų7087 Ų8749%0.4945%0.45SS..THydrogen-bonded Turntrans-84.8-2.3174.157.80000113.8K712 A713 F714 K718K712-S716 WeakPolarHBondContact O-CB 3.42Å; K712-S716 PolarHBondContact O-N 3.36Å; K712-S716 PolarHBondContact O-OG 3.24Å; A713-S716 PolarHBondContact O-OG 3.46Å; F714-S716 VanDerWaalsContact C-N 3.26Å; F714-S716 PolarHBondContact O-N 2.82Å; S716-K718 VanDerWaalsContact C-N 3.25Å; S716-K718 PolarHBondContact O-N 3.38Å
717G84.8Confident83.4Confident41 Ų4185.6 Ų85.642%0.42343%0.429SS..THydrogen-bonded Turntrans77.62.4-179.900000115.3A713 F714 F715A713-G717 PolarHBondContact O-N 3.19Å; F714-G717 PolarHBondContact O-N 3.34Å; F715-G717 VanDerWaalsContact C-N 3.31Å
718K86.1Confident83.2Confident92 Ų9278.8 Ų78.840%0.440%0.403SS..SBendtrans-72-33.5176.6-71.8-179.6155.8-1390113L695 D699 L708 A713 S716L695-K718 WeakPolarHBondContact CB-O 2.92Å; D699-K718 WeakPolarHBondContact OD1-CD 3.4Å; D699-K718 IonicContact OD1-NZ 2.76Å; D699-K718 PolarHBondContact OD1-NZ 3.25Å; L708-K718 HydrophobicContact CD2-CD 4.21Å; A713-K718 HydrophobicContact CB-CB 4.42Å; A713-K718 PolarHBondContact O-N 3.06Å; S716-K718 VanDerWaalsContact C-N 3.25Å; S716-K718 PolarHBondContact O-N 3.38Å
719L88.5Confident82.8Confident15 Ų1583.1 Ų83.18%0.07942%0.423CS..SBendtrans-111.4120.7171.2174.163.4000108.8F693 L695 P710 A713 F714 V721F693-L719 HydrophobicContact CB-CD1 4.08Å; F693-L719 HydrophobicContact CD1-CD1 4.08Å; L695-L719 HydrophobicContact CB-CD1 4.14Å; L695-L719 HydrophobicContact CD1-CD1 4.09Å; L695-L719 HydrophobicContact CD2-CD1 3.94Å; L695-L719 HydrophobicContact CG-CD1 4.29Å; P710-L719 HydrophobicContact CB-CD2 4.47Å; A713-L719 HydrophobicContact CB-CB 3.68Å; A713-L719 PolarHBondContact O-N 3.38Å; F714-L719 WeakPolarHBondContact CA-O 3.46Å; F714-L719 VanDerWaalsContact CD2-O 3.31Å; F714-L719 WeakPolarHBondContact CD2-O 3.44Å; L719-V721 HydrophobicContact CD2-CG2 4.43Å; L719-V721 HydrophobicContact CG-CG2 4.17Å
720K90.1Very high82.4Confident126 Ų12681.3 Ų81.355%0.54841%0.413SS..EExtended strand (participates in β ladder)trans-105.5136.1172.8-60.6176.4-177.5173.10109F693 T694F693-K720 CarbonylContact C-O 3.59Å; F693-K720 WeakPolarHBondContact CA-O 3.46Å; T694-K720 PolarHBondContact N-O 3.09Å; T694-K720 PolarHBondContact O-N 3.42Å
721V88.6Confident81.7Confident21 Ų2179.6 Ų79.613%0.12740%0.401CS..EExtended strand (participates in β ladder)trans-122.4129.7178.5-172.50000109V691 T692 F693 F714 L719 I725V691-V721 HydrophobicContact CG1-CG1 3.5Å; V691-V721 VanDerWaalsContact CG1-CG1 3.5Å; T692-V721 CarbonylContact O-C 3.53Å; T692-V721 WeakPolarHBondContact O-CA 2.99Å; F693-V721 HydrophobicContact CD1-CG1 4.3Å; F693-V721 HydrophobicContact CD1-CG2 3.7Å; F693-V721 HydrophobicContact CE1-CG1 4.12Å; F693-V721 HydrophobicContact CE1-CG2 3.92Å; F714-V721 HydrophobicContact CD2-CB 4.31Å; F714-V721 HydrophobicContact CD2-CG2 3.8Å; F714-V721 HydrophobicContact CE2-CB 3.91Å; F714-V721 HydrophobicContact CE2-CG2 3.93Å; L719-V721 HydrophobicContact CD2-CG2 4.43Å; L719-V721 HydrophobicContact CG-CG2 4.17Å; V721-I725 HydrophobicContact CG1-CG1 4.25Å
722R89.3Confident81Confident154 Ų15476.3 Ų76.358%0.58139%0.386SS*.EExtended strand (participates in β ladder)trans-124.6146.2175-67.2-173.4-105-167.90.9109.7E658 V691 T692E658-R722 IonicContact OE2-NH2 3.19Å; V691-R722 CarbonylContact C-O 3.44Å; V691-R722 WeakPolarHBondContact CA-O 3.34Å; T692-R722 PolarHBondContact N-O 3.38Å; T692-R722 PolarHBondContact O-N 3.5Å
723G87Confident79.9Confident59 Ų5974.4 Ų74.461%0.60839%0.386SS*.EExtended strand (participates in β ladder)trans100-150.7-17700000113.3I725G723-I725 PolarHBondContact O-N 2.91Å
724N84.7Confident78.5Confident84 Ų8475.6 Ų75.645%0.44939%0.392SS..  trans-80.488-175.6-174.3-12.7000111.9D690 V691 M726 L727D690-N724 PolarHBondContact O-N 3.48Å; V691-N724 HydrophobicContact CG2-CB 4.41Å; V691-N724 WeakPolarHBondContact CG2-O 3.37Å; N724-M726 PolarHBondContact O-N 3.19Å; N724-M726 PolarHBondContact OD1-N 2.97Å; N724-L727 HydrophobicContact CB-CD1 4.03Å; N724-L727 HydrophobicContact CB-CG 4.36Å; N724-L727 WeakPolarHBondContact O-CB 3.31Å; N724-L727 PolarHBondContact O-N 3.36Å
725I78.9Confident77.2Confident88 Ų8874.4 Ų74.445%0.45139%0.389SS..Hα-helixtrans-54.4-29.7-175.4-59.7171000112.8V721 G723 L727 S728V721-I725 HydrophobicContact CG1-CG1 4.25Å; G723-I725 PolarHBondContact O-N 2.91Å; I725-L727 PolarHBondContact O-N 3.35Å; I725-S728 WeakPolarHBondContact O-CB 3.42Å; I725-S728 PolarHBondContact O-N 3.2Å; I725-S728 PolarHBondContact O-OG 3.1Å
726M78.6Confident76Confident124 Ų12472.3 Ų72.361%0.61138%0.38SS*.Hα-helixtrans-64.2-26.5177.6-66.1-58.1-61.300113N724 S728N724-M726 PolarHBondContact O-N 3.19Å; N724-M726 PolarHBondContact OD1-N 2.97Å; M726-S728 VanDerWaalsContact C-N 3.31Å
727L82.3Confident74.4Confident25 Ų2575.4 Ų75.413%0.13139%0.391CS..Hα-helixtrans-75.3-18.8175.4-67.7173.6000112.6A653 F655 D690 V691 N724 I725 Q729 K730A653-L727 HydrophobicContact CB-CD1 3.97Å; A653-L727 HydrophobicContact CB-CD2 4.39Å; F655-L727 HydrophobicContact CE1-CB 4.46Å; F655-L727 WeakPolarHBondContact CE1-O 3.37Å; D690-L727 HydrophobicContact CB-CD1 3.8Å; V691-L727 HydrophobicContact CG2-CB 3.72Å; N724-L727 HydrophobicContact CB-CD1 4.03Å; N724-L727 HydrophobicContact CB-CG 4.36Å; N724-L727 WeakPolarHBondContact O-CB 3.31Å; N724-L727 PolarHBondContact O-N 3.36Å; I725-L727 PolarHBondContact O-N 3.35Å; L727-Q729 VanDerWaalsContact C-N 3.26Å; L727-Q729 PolarHBondContact O-N 3.16Å; L727-K730 HydrophobicContact CD2-CD 4.09Å; L727-K730 PolarHBondContact O-N 2.82Å
728S75.9Confident73Confident27 Ų2776.2 Ų76.219%0.18938%0.381CS..Hα-helixtrans-67.5-28175.676.20000112.5I725 M726 K730 L731 E732I725-S728 WeakPolarHBondContact O-CB 3.42Å; I725-S728 PolarHBondContact O-N 3.2Å; I725-S728 PolarHBondContact O-OG 3.1Å; M726-S728 VanDerWaalsContact C-N 3.31Å; S728-K730 VanDerWaalsContact C-N 3.32Å; S728-K730 PolarHBondContact O-N 2.94Å; S728-L731 WeakPolarHBondContact O-CB 3.4Å; S728-L731 PolarHBondContact O-N 3.24Å; S728-E732 PolarHBondContact O-N 2.79Å
729Q71.4Confident70.9Confident108 Ų10874.1 Ų74.151%0.50538%0.382SS..Hα-helixtrans-68.2-31.7177.1-64.9179.6-10.400112.3L727 L731 E732 V733L727-Q729 VanDerWaalsContact C-N 3.26Å; L727-Q729 PolarHBondContact O-N 3.16Å; Q729-L731 VanDerWaalsContact C-N 3.28Å; Q729-L731 PolarHBondContact O-N 3.25Å; Q729-E732 PolarHBondContact O-N 2.91Å; Q729-V733 PolarHBondContact O-N 3.08Å
730K71.8Confident68.7Low97 Ų9783.5 Ų83.542%0.42242%0.422SS..Hα-helixtrans-67.5-30.9175.6-67.4-169.6175.5-1710112.4L727 S728L727-K730 HydrophobicContact CD2-CD 4.09Å; L727-K730 PolarHBondContact O-N 2.82Å; S728-K730 VanDerWaalsContact C-N 3.32Å; S728-K730 PolarHBondContact O-N 2.94Å
731L66.6Low65.8Low9 Ų985.7 Ų85.75%0.04744%0.438CS..Hα-helixtrans-72.1-34.1177.5-168.162.5000111.6F655 W657 F693 S728 Q729 V733 I734 L735F655-L731 HydrophobicContact CD1-CD2 3.87Å; F655-L731 HydrophobicContact CD2-CD1 4.19Å; F655-L731 HydrophobicContact CE1-CB 4.09Å; F655-L731 HydrophobicContact CE1-CD2 4.17Å; F655-L731 HydrophobicContact CE2-CD1 4.1Å; F655-L731 HydrophobicContact CG-CD2 4.04Å; F655-L731 HydrophobicContact CZ-CB 4.15Å; F655-L731 HydrophobicContact CZ-CD1 4.34Å; W657-L731 HydrophobicContact CH2-CD2 4.38Å; W657-L731 HydrophobicContact CZ2-CD2 3.61Å; F693-L731 HydrophobicContact CD2-CD2 4.47Å; F693-L731 HydrophobicContact CE2-CD2 3.55Å; F693-L731 HydrophobicContact CZ-CD2 3.85Å; S728-L731 WeakPolarHBondContact O-CB 3.4Å; S728-L731 PolarHBondContact O-N 3.24Å; Q729-L731 VanDerWaalsContact C-N 3.28Å; Q729-L731 PolarHBondContact O-N 3.25Å; L731-V733 PolarHBondContact O-N 2.83Å; L731-I734 PolarHBondContact O-N 2.83Å; L731-I734 VanDerWaalsContact O-N 3.17Å; L731-L735 HydrophobicContact CD2-CD1 4.49Å; L731-L735 HydrophobicContact CG-CD1 4.03Å; L731-L735 HydrophobicContact CG-CG 4.41Å; L731-L735 WeakPolarHBondContact O-CG 3.36Å; L731-L735 PolarHBondContact O-N 3.12Å
732E63.7Low64.7Low56 Ų5688.9 Ų88.926%0.26245%0.454SS..Hα-helixtrans-64.4-38.2176.6-164.7-171.9151.200112.4S728 Q729 I734 L735 K736S728-E732 PolarHBondContact O-N 2.79Å; Q729-E732 PolarHBondContact O-N 2.91Å; E732-I734 PolarHBondContact O-N 2.73Å; E732-L735 PolarHBondContact O-N 2.95Å; E732-K736 WeakPolarHBondContact O-CB 3.46Å; E732-K736 PolarHBondContact O-N 3.44Å; E732-K736 WeakPolarHBondContact OE1-CE 3.33Å; E732-K736 IonicContact OE1-NZ 2.92Å; E732-K736 PolarHBondContact OE1-NZ 2.86Å
733V57.7Low63.4Low103 Ų10385.5 Ų85.562%0.62445%0.447SS*.Hα-helixtrans-60.7-33.1175.2177.50000111.1Q729 L731Q729-V733 PolarHBondContact O-N 3.08Å; L731-V733 PolarHBondContact O-N 2.83Å
734I56Low62.1Low27 Ų2786.9 Ų86.914%0.13844%0.438CS..Hα-helixtrans-77.6-54.4174-67.4168.9000109.6L647 V651 L673 L731 E732 K736 D737 Y738L647-I734 HydrophobicContact CD2-CD1 3.91Å; L647-I734 HydrophobicContact CD2-CG1 4.26Å; L647-I734 HydrophobicContact CD2-CG2 4.47Å; V651-I734 HydrophobicContact CG2-CD1 3.08Å; V651-I734 HydrophobicContact CG2-CG1 4.41Å; L673-I734 HydrophobicContact CD1-CD1 4.4Å; L731-I734 PolarHBondContact O-N 2.83Å; L731-I734 VanDerWaalsContact O-N 3.17Å; E732-I734 PolarHBondContact O-N 2.73Å; I734-K736 PolarHBondContact O-N 3.49Å; I734-K736 VanDerWaalsContact O-N 3.11Å; I734-D737 PolarHBondContact O-N 3.35Å; I734-Y738 HydrophobicContact CG2-CD2 4.26Å; I734-Y738 HydrophobicContact CG2-CE2 3.8Å; I734-Y738 WeakPolarHBondContact O-CD2 3.35Å; I734-Y738 VanDerWaalsContact O-CE2 3.28Å; I734-Y738 WeakPolarHBondContact O-CE2 3.27Å
735L56.5Low60.7Low57 Ų5787.1 Ų87.130%0.29844%0.438SS..Hα-helixtrans-60.7-28.3-175.3-67.4171.2000113.7L731 E732 D737 Y738 A739L731-L735 HydrophobicContact CD2-CD1 4.49Å; L731-L735 HydrophobicContact CG-CD1 4.03Å; L731-L735 HydrophobicContact CG-CG 4.41Å; L731-L735 WeakPolarHBondContact O-CG 3.36Å; L731-L735 PolarHBondContact O-N 3.12Å; E732-L735 PolarHBondContact O-N 2.95Å; L735-D737 PolarHBondContact O-N 2.88Å; L735-Y738 CarbonylContact O-C 3.48Å; L735-Y738 PolarHBondContact O-N 3.39Å; L735-Y738 VanDerWaalsContact O-N 3.07Å; L735-A739 PolarHBondContact O-N 3.21Å
736K54.3Low59.6Low135 Ų13587.1 Ų87.159%0.58744%0.437SS*.Hα-helixtrans-63.4-36.4176.7-96.8178.1173.6151.50114.5E732 I734 Y738E732-K736 WeakPolarHBondContact O-CB 3.46Å; E732-K736 PolarHBondContact O-N 3.44Å; E732-K736 WeakPolarHBondContact OE1-CE 3.33Å; E732-K736 IonicContact OE1-NZ 2.92Å; E732-K736 PolarHBondContact OE1-NZ 2.86Å; I734-K736 PolarHBondContact O-N 3.49Å; I734-K736 VanDerWaalsContact O-N 3.11Å; K736-Y738 PolarHBondContact O-N 3.12Å
737D49.8Very low58.4Low136 Ų13684.6 Ų84.673%0.72743%0.425SS*.THydrogen-bonded Turntrans-71.7-9.8175.8-74-17.8000112I734 L735I734-D737 PolarHBondContact O-N 3.35Å; L735-D737 PolarHBondContact O-N 2.88Å
738Y54.5Low56.6Low57 Ų5788.9 Ų88.922%0.22445%0.446CS..THydrogen-bonded Turntrans-118.3-2.3-169.4-62.1-120.4000111.6R639 I734 L735 K736 K740R639-Y738 HydrophobicContact CB-CE1 4.48Å; R639-Y738 VanDerWaalsContact CD-CE1 3.45Å; I734-Y738 HydrophobicContact CG2-CD2 4.26Å; I734-Y738 HydrophobicContact CG2-CE2 3.8Å; I734-Y738 WeakPolarHBondContact O-CD2 3.35Å; I734-Y738 VanDerWaalsContact O-CE2 3.28Å; I734-Y738 WeakPolarHBondContact O-CE2 3.27Å; L735-Y738 CarbonylContact O-C 3.48Å; L735-Y738 PolarHBondContact O-N 3.39Å; L735-Y738 VanDerWaalsContact O-N 3.07Å; K736-Y738 PolarHBondContact O-N 3.12Å; Y738-K740 VanDerWaalsContact C-N 3.26Å; Y738-K740 PolarHBondContact O-N 3.03Å
739A43.4Very low55.2Low49 Ų4993.6 Ų93.641%0.40547%0.466SS..  trans-81.45.4177.400000114.2L735 L741L735-A739 PolarHBondContact O-N 3.21Å; A739-L741 VanDerWaalsContact C-N 3.32Å
740K41.1Very low53.8Low212 Ų21292.4 Ų92.492%0.92246%0.463SS*.  trans-98.351.2167.1-69.4-172.1-179.5179.60110.8Y738Y738-K740 VanDerWaalsContact C-N 3.26Å; Y738-K740 PolarHBondContact O-N 3.03Å
741L30.4Very low52.2Low171 Ų17192 Ų9290%0.89547%0.466SS*.  trans-108.80167.7-92.6163.9000108.8E635 A739E635-L741 HydrophobicContact CG-CD1 4.35Å; A739-L741 VanDerWaalsContact C-N 3.32Å

Retrieved 741 of 741 residues in 1017.7 ms (Link to these results)

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