A0A5K4F1B9_SCHMA Loading...

Cation-transporting ATPase 13A1

AlphaFold DB , UniProt , Accession A0A5K4F1B9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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
1M26.4Very low65.9Low242 Ų24285.8 Ų85.8100%1.19251%0.508SS*.  0109.50-83.3168.8172.500105.7Q3M1-Q3 PolarHBondContact O-N 2.96Å
2V36.9Very low68.1Low118 Ų11882.9 Ų82.972%0.71549%0.486SS*.  trans-62.7117.6178.9178.80000106.2S4V2-S4 PolarHBondContact O-N 3.39Å
3Q39.6Very low70.2Confident177 Ų17776.8 Ų76.883%0.82745%0.45SS*.  trans-65.5103.2179-159.4151.8-22.900105.6M1 D5M1-Q3 PolarHBondContact O-N 2.96Å; Q3-D5 PolarHBondContact O-N 3.47Å
4S51Low71.8Confident105 Ų10572.2 Ų72.273%0.73442%0.422SS*.  trans-59.3106172.351.40000106.6V2 A6V2-S4 PolarHBondContact O-N 3.39Å; S4-A6 PolarHBondContact O-N 3.16Å
5D62Low73.3Confident39 Ų3969.7 Ų69.721%0.20941%0.408CS..  trans-53.6137.8171-79.8-40.2000108.7Q3 D7 I8 P142Q3-D5 PolarHBondContact O-N 3.47Å; D5-D7 PolarHBondContact O-N 2.92Å; D5-I8 PolarHBondContact O-N 3.07Å; D5-P142 VanDerWaalsContact OD2-CD 3.29Å; D5-P142 WeakPolarHBondContact OD2-CD 3.35Å
6A71Confident74.3Confident81 Ų8170 Ų7067%0.66941%0.407SS*.THydrogen-bonded Turntrans-59.8-20.6-173.200000113.2S4 T99S4-A6 PolarHBondContact O-N 3.16Å; A6-T99 WeakPolarHBondContact O-CB 3.38Å; A6-T99 VanDerWaalsContact O-CG2 3.23Å; A6-T99 WeakPolarHBondContact O-CG2 2.97Å; A6-T99 PolarHBondContact O-OG1 3.38Å
7D81.4Confident75.2Confident57 Ų5771.9 Ų71.931%0.30541%0.406SS..THydrogen-bonded Turntrans-101.8-23.9-169.8-59.5-27.1000113.8D5 P98 T99 T102D5-D7 PolarHBondContact O-N 2.92Å; D7-P98 VanDerWaalsContact O-CA 3.3Å; D7-P98 WeakPolarHBondContact O-CA 3.41Å; D7-T99 PolarHBondContact O-N 3.35Å; D7-T99 PolarHBondContact O-OG1 3.11Å; D7-T102 PolarHBondContact O-OG1 3.33Å
8I88.1Confident75.9Confident4 Ų472.6 Ų72.62%0.02141%0.413CS..EExtended strand (participates in β ladder)trans-118.9118.5-175.6-58.7178.3000110.3D5 V11 V96 F123 F125 Y130 F140D5-I8 PolarHBondContact O-N 3.07Å; I8-V11 HydrophobicContact CG2-CG2 3.79Å; I8-V96 HydrophobicContact CB-CG1 4.46Å; I8-V96 HydrophobicContact CD1-CG1 3.82Å; I8-V96 HydrophobicContact CG1-CG1 3.87Å; I8-V96 HydrophobicContact CG2-CG1 3.82Å; I8-F123 HydrophobicContact CD1-CE2 4.48Å; I8-F125 HydrophobicContact CD1-CD1 4.11Å; I8-F125 HydrophobicContact CG1-CD1 4.11Å; I8-F125 HydrophobicContact CG1-CE1 4.3Å; I8-Y130 HydrophobicContact CD1-CD1 4.11Å; I8-Y130 HydrophobicContact CD1-CD2 4.29Å; I8-Y130 HydrophobicContact CD1-CE1 3.58Å; I8-Y130 HydrophobicContact CD1-CE2 3.79Å; I8-Y130 HydrophobicContact CD1-CG 4.44Å; I8-Y130 VanDerWaalsContact CD1-CZ 3.4Å; I8-F140 HydrophobicContact CB-CE2 4.13Å; I8-F140 HydrophobicContact CB-CZ 4.34Å; I8-F140 HydrophobicContact CD1-CE2 4.09Å; I8-F140 HydrophobicContact CG2-CE2 4.01Å; I8-F140 HydrophobicContact CG2-CZ 3.82Å
9A87.4Confident76.2Confident62 Ų6274.2 Ų74.251%0.51243%0.425SS..EExtended strand (participates in β ladder)trans-81.1-42.6177.400000112.4V97 T99A9-V97 PolarHBondContact N-O 2.92Å; A9-T99 HydrophobicContact CB-CG2 4.09Å
10S89.3Confident76.6Confident55 Ų5576.8 Ų76.839%0.38544%0.436SS..EExtended strand (participates in β ladder)trans-160.4158.8179.163.90000112.7V97S10-V97 PolarHBondContact N-O 3.21Å; S10-V97 PolarHBondContact O-N 3.25Å
11V91.7Very high77.1Confident4 Ų477.4 Ų77.42%0.02444%0.438CS..EExtended strand (participates in β ladder)trans-127.6134.5-179.6177.40000110I8 V94 K95 F140I8-V11 HydrophobicContact CG2-CG2 3.79Å; V11-V94 HydrophobicContact CB-CG2 4.48Å; V11-V94 HydrophobicContact CG1-CG2 3.09Å; V11-K95 WeakPolarHBondContact CA-O 3.36Å; V11-F140 HydrophobicContact CB-CD1 4.35Å; V11-F140 HydrophobicContact CB-CE1 3.96Å; V11-F140 HydrophobicContact CG2-CD1 3.89Å; V11-F140 HydrophobicContact CG2-CE1 3.4Å; V11-F140 HydrophobicContact CG2-CE2 4.25Å; V11-F140 HydrophobicContact CG2-CZ 3.61Å
12E93Very high80.1Confident51 Ų5166.4 Ų66.424%0.23838%0.384CS..EExtended strand (participates in β ladder)trans-123.1136.4173.7-59.5-167.6123.500111.3F14 K84 V94 K95E12-F14 HydrophobicContact CB-CD2 4.33Å; E12-F14 HydrophobicContact CB-CE2 3.56Å; E12-F14 HydrophobicContact CB-CZ 4.03Å; E12-K84 IonicContact OE1-NZ 2.7Å; E12-K84 PolarHBondContact OE1-NZ 3.03Å; E12-V94 CarbonylContact O-C 3.59Å; E12-V94 WeakPolarHBondContact O-CA 3.32Å; E12-K95 HydrophobicContact CB-CB 4.27Å; E12-K95 PolarHBondContact N-O 2.92Å; E12-K95 PolarHBondContact O-N 3.05Å; E12-K95 IonicContact OE2-NZ 3.76Å
13L94.3Very high82.4Confident3 Ų361.7 Ų61.72%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-97.2136.9-176.9-58.3174.5000111.2K84 Q85 V88 V94 I110 F132 K137L13-K84 WeakPolarHBondContact O-CA 3.42Å; L13-Q85 HydrophobicContact CB-CB 4.34Å; L13-Q85 PolarHBondContact O-N 3.03Å; L13-V88 HydrophobicContact CD1-CB 4.44Å; L13-V88 HydrophobicContact CD1-CG2 3.77Å; L13-V88 HydrophobicContact CD2-CG2 4.35Å; L13-V94 HydrophobicContact CD2-CG2 4.24Å; L13-I110 HydrophobicContact CD2-CD1 4.25Å; L13-F132 HydrophobicContact CD2-CZ 4.33Å; L13-K137 HydrophobicContact CD1-CB 3.72Å; L13-K137 HydrophobicContact CG-CB 4.01Å
14F93.7Very high84.6Confident13 Ų1356.5 Ų56.56%0.05733%0.332CS..EExtended strand (participates in β ladder)trans-138150.9-174.6-70.3-73000113.4E12 C78 C82 K83 K84 E92 Y93 K95E12-F14 HydrophobicContact CB-CD2 4.33Å; E12-F14 HydrophobicContact CB-CE2 3.56Å; E12-F14 HydrophobicContact CB-CZ 4.03Å; F14-C78 HydrophobicContact CE1-CB 4.31Å; F14-C78 HydrophobicContact CE2-CB 4.36Å; F14-C78 HydrophobicContact CZ-CB 4.01Å; F14-C82 HydrophobicContact CB-CB 3.93Å; F14-C82 HydrophobicContact CD1-CB 3.41Å; F14-C82 VanDerWaalsContact CD1-CB 3.41Å; F14-C82 HydrophobicContact CE1-CB 4.15Å; F14-C82 HydrophobicContact CG-CB 3.84Å; F14-K83 WeakPolarHBondContact CA-O 3.36Å; F14-K84 HydrophobicContact CD1-CB 4.42Å; F14-K84 HydrophobicContact CE1-CB 4.1Å; F14-K84 HydrophobicContact CE1-CG 4.44Å; F14-E92 PolarHBondContact O-N 3.03Å; F14-E92 VanDerWaalsContact O-N 3.08Å; F14-Y93 PolarHBondContact N-O 3.32Å; F14-Y93 PolarHBondContact O-N 3.39Å; F14-K95 HydrophobicContact CD2-CB 3.86Å; F14-K95 HydrophobicContact CE2-CB 3.52Å; F14-K95 HydrophobicContact CE2-CD 4.02Å; F14-K95 HydrophobicContact CE2-CG 4.38Å
15T93.3Very high86.5Confident34 Ų3453.4 Ų53.421%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-120.8142.9163.615.60000109.6C82 K83 A90 E92T15-C82 WeakPolarHBondContact O-CA 3.35Å; T15-K83 PolarHBondContact N-O 2.85Å; T15-K83 PolarHBondContact O-N 2.97Å; T15-A90 WeakPolarHBondContact CG2-O 3.39Å; T15-E92 HydrophobicContact CG2-CB 4.44Å
16L90Very high87.8Confident75 Ų7555.4 Ų55.439%0.39332%0.319SS..EExtended strand (participates in β ladder)trans-71.6138.5173.6-87.1110.4000110.9T81 Y93L16-T81 HydrophobicContact CD2-CG2 3.57Å; L16-T81 HydrophobicContact CG-CG2 4.2Å; L16-Y93 HydrophobicContact CD1-CD2 3.3Å; L16-Y93 HydrophobicContact CD1-CE2 2.93Å; L16-Y93 HydrophobicContact CD1-CG 4.27Å; L16-Y93 HydrophobicContact CG-CE2 4.4Å
17R89.1Confident88.8Confident103 Ų10354.7 Ų54.739%0.38931%0.307SS..PPolyproline II helixtrans-74.7156.7164.7-64-177.8-174.1-161.41109.3L21 H22 T81 C82 K83R17-L21 HydrophobicContact CB-CB 4.3Å; R17-H22 PolarHBondContact O-CE1 3.45Å; R17-T81 WeakPolarHBondContact CB-O 3.43Å; R17-T81 WeakPolarHBondContact CG-O 3.27Å; R17-T81 PolarHBondContact N-O 2.91Å; R17-C82 PolarHBondContact NE-O 2.9Å; R17-K83 HydrophobicContact CG-CB 4.39Å
18P88Confident89.4Confident84 Ų8453 Ų5355%0.54530%0.298SS..PPolyproline II helixtrans-60.6150.5171.822.7-29000110.6L20 L21 H22P18-L20 PolarHBondContact O-N 3.44Å; P18-L20 VanDerWaalsContact O-N 3.12Å; P18-L21 HydrophobicContact CG-CB 4.09Å; P18-L21 HydrophobicContact CG-CD1 4.09Å; P18-L21 WeakPolarHBondContact O-CA 3.29Å; P18-L21 PolarHBondContact O-N 2.84Å; P18-H22 PolarHBondContact O-N 3.44Å; P18-H22 PolarHBondContact O-ND1 2.74Å
19T82.5Confident89.6Confident103 Ų10356.6 Ų56.663%0.63232%0.32SS*.G310 helixtrans-50.6-39.3-175.749.80000113.1L21 H22T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 3.4Å; T19-H22 VanDerWaalsContact CA-CE1 3.45Å; T19-H22 WeakPolarHBondContact CA-CE1 3.38Å; T19-H22 WeakPolarHBondContact CA-ND1 3.37Å; T19-H22 WeakPolarHBondContact O-CB 3.48Å; T19-H22 PolarHBondContact O-N 3.12Å; T19-H22 PolarHBondContact O-ND1 2.95Å
20L84Confident89.9Confident125 Ų12558.2 Ų58.265%0.65432%0.319SS*.G310 helixtrans-66.2-29178-61.7177.7000113.7P18 L26P18-L20 PolarHBondContact O-N 3.44Å; P18-L20 VanDerWaalsContact O-N 3.12Å; L20-L26 WeakPolarHBondContact O-CB 3.34Å; L20-L26 WeakPolarHBondContact O-CD1 3.41Å
21L86.4Confident90.1Very high90 Ų9059.8 Ų59.847%0.47132%0.322SS..G310 helixtrans-926.7178.1-100.994.5000113.5R17 P18 T19 G23R17-L21 HydrophobicContact CB-CB 4.3Å; P18-L21 HydrophobicContact CG-CB 4.09Å; P18-L21 HydrophobicContact CG-CD1 4.09Å; P18-L21 WeakPolarHBondContact O-CA 3.29Å; P18-L21 PolarHBondContact O-N 2.84Å; T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 3.4Å; L21-G23 PolarHBondContact O-N 3.41Å
22H89.3Confident90.2Very high12 Ų1262 Ų626%0.05633%0.33CS..SBendtrans-65.4138.1174-74.249.8000109.8R17 P18 T19 Y24 V25 L26 T81R17-H22 PolarHBondContact O-CE1 3.45Å; P18-H22 PolarHBondContact O-N 3.44Å; P18-H22 PolarHBondContact O-ND1 2.74Å; T19-H22 VanDerWaalsContact CA-CE1 3.45Å; T19-H22 WeakPolarHBondContact CA-CE1 3.38Å; T19-H22 WeakPolarHBondContact CA-ND1 3.37Å; T19-H22 WeakPolarHBondContact O-CB 3.48Å; T19-H22 PolarHBondContact O-N 3.12Å; T19-H22 PolarHBondContact O-ND1 2.95Å; H22-Y24 HydrophobicContact CB-CD1 4.11Å; H22-Y24 HydrophobicContact CB-CE1 3.77Å; H22-Y24 HydrophobicContact CB-CE2 4.46Å; H22-Y24 AromaticContact CD2-CE1 3.57Å; H22-Y24 AromaticContact CD2-CZ 3.73Å; H22-Y24 PolarHBondContact CD2-OH 2.94Å; H22-Y24 PolarHBondContact O-N 3.15Å; H22-Y24 VanDerWaalsContact O-N 3.09Å; H22-V25 HydrophobicContact CB-CG2 4.26Å; H22-V25 PolarHBondContact O-N 3.36Å; H22-L26 PolarHBondContact O-N 3.19Å; H22-L26 VanDerWaalsContact O-N 3.12Å; H22-T81 WeakPolarHBondContact CD2-CG2 3.29Å; H22-T81 PolarHBondContact CD2-OG1 3Å; H22-T81 WeakPolarHBondContact NE2-CG2 3.47Å
23G85.1Confident90.3Very high19 Ų1963.1 Ų63.120%0.19634%0.344CS..THydrogen-bonded Turntrans-62.5-17.2-175.800000114.8L21 P27 M80L21-G23 PolarHBondContact O-N 3.41Å; G23-P27 WeakPolarHBondContact O-CD 3.34Å; G23-P27 WeakPolarHBondContact O-CG 3.39Å; G23-M80 PolarHBondContact N-O 3.02Å
24Y87.1Confident90.3Very high68 Ų6867.7 Ų67.727%0.26737%0.372SS..THydrogen-bonded Turntrans-92.9-4.3173.563.9-100.7000114H22 F28H22-Y24 HydrophobicContact CB-CD1 4.11Å; H22-Y24 HydrophobicContact CB-CE1 3.77Å; H22-Y24 HydrophobicContact CB-CE2 4.46Å; H22-Y24 AromaticContact CD2-CE1 3.57Å; H22-Y24 AromaticContact CD2-CZ 3.73Å; H22-Y24 PolarHBondContact CD2-OH 2.94Å; H22-Y24 PolarHBondContact O-N 3.15Å; H22-Y24 VanDerWaalsContact O-N 3.09Å; Y24-F28 WeakPolarHBondContact O-CD2 3.2Å
25V90.5Very high90.2Very high39 Ų3969 Ų6924%0.23638%0.376CS..THydrogen-bonded Turntrans-107.6-62.9178.3-1760000110.4H22 F28 V29H22-V25 HydrophobicContact CB-CG2 4.26Å; H22-V25 PolarHBondContact O-N 3.36Å; V25-F28 PolarHBondContact O-N 3.43Å; V25-F28 VanDerWaalsContact O-N 3.17Å; V25-V29 HydrophobicContact CG1-CG2 4.06Å; V25-V29 WeakPolarHBondContact O-CG2 3.22Å; V25-V29 PolarHBondContact O-N 3.31Å
26L89.7Confident90.1Very high82 Ų8271.2 Ų71.243%0.42939%0.386SS..Hα-helixtrans-56.3-50.5-170.9-165.696.7000112.9L20 H22 F28 V29 I30L20-L26 WeakPolarHBondContact O-CB 3.34Å; L20-L26 WeakPolarHBondContact O-CD1 3.41Å; H22-L26 PolarHBondContact O-N 3.19Å; H22-L26 VanDerWaalsContact O-N 3.12Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 3.28Å; L26-V29 PolarHBondContact O-N 3.1Å; L26-I30 HydrophobicContact CD2-CD1 4.33Å; L26-I30 HydrophobicContact CG-CD1 4.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.45Å; L26-I30 PolarHBondContact O-N 3.34Å; L26-I30 VanDerWaalsContact O-N 3.14Å
27P91Very high90.1Very high65 Ų6568.9 Ų68.942%0.42238%0.381SS..Hα-helixtrans-65.1-36.3-177.9-21.136.8000111.7G23 I30 L31G23-P27 WeakPolarHBondContact O-CD 3.34Å; G23-P27 WeakPolarHBondContact O-CG 3.39Å; P27-I30 PolarHBondContact O-N 2.97Å; P27-L31 VanDerWaalsContact O-CB 3.29Å; P27-L31 WeakPolarHBondContact O-CB 3.45Å; P27-L31 PolarHBondContact O-N 3.34Å
28F93.5Very high90.1Very high22 Ų2269.4 Ų69.410%0.09638%0.383CS..Hα-helixtrans-71.3-38.7178.7-74.3-82.8000112.4Y24 V25 L26 I30 L31 Y32 I59 V62 Q63 V66Y24-F28 WeakPolarHBondContact O-CD2 3.2Å; V25-F28 PolarHBondContact O-N 3.43Å; V25-F28 VanDerWaalsContact O-N 3.17Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 3.28Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.45Å; F28-L31 PolarHBondContact O-N 3.48Å; F28-Y32 HydrophobicContact CB-CD2 4.46Å; F28-Y32 HydrophobicContact CB-CE2 4.32Å; F28-Y32 WeakPolarHBondContact O-CD2 3.47Å; F28-Y32 PolarHBondContact O-N 3.2Å; F28-I59 HydrophobicContact CD1-CG2 4.13Å; F28-V62 HydrophobicContact CE1-CB 4.46Å; F28-V62 HydrophobicContact CE1-CG1 4.12Å; F28-V62 HydrophobicContact CZ-CG1 4.16Å; F28-Q63 HydrophobicContact CB-CG 4.3Å; F28-Q63 HydrophobicContact CD1-CB 3.58Å; F28-Q63 HydrophobicContact CD1-CG 3.8Å; F28-Q63 HydrophobicContact CD2-CG 4.01Å; F28-Q63 VanDerWaalsContact CE1-CA 3.42Å; F28-Q63 HydrophobicContact CE1-CB 3.54Å; F28-Q63 HydrophobicContact CE1-CG 4.08Å; F28-Q63 HydrophobicContact CE2-CB 4.47Å; F28-Q63 HydrophobicContact CE2-CG 4.26Å; F28-Q63 HydrophobicContact CG-CB 4.08Å; F28-Q63 HydrophobicContact CG-CG 3.76Å; F28-Q63 VanDerWaalsContact CZ-CA 3.5Å; F28-Q63 HydrophobicContact CZ-CB 4.01Å; F28-Q63 HydrophobicContact CZ-CG 4.3Å; F28-V66 HydrophobicContact CE2-CB 4.13Å; F28-V66 HydrophobicContact CE2-CG1 4.13Å; F28-V66 HydrophobicContact CE2-CG2 4.21Å; F28-V66 HydrophobicContact CZ-CB 4.13Å; F28-V66 HydrophobicContact CZ-CG2 3.86Å
29V92.5Very high90.1Very high80 Ų8066.4 Ų66.449%0.48536%0.361SS..Hα-helixtrans-59.7-44173.8170.80000111V25 L26 S33V25-V29 HydrophobicContact CG1-CG2 4.06Å; V25-V29 WeakPolarHBondContact O-CG2 3.22Å; V25-V29 PolarHBondContact O-N 3.31Å; L26-V29 PolarHBondContact O-N 3.1Å; V29-S33 VanDerWaalsContact O-CB 3.31Å; V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.47Å; V29-S33 PolarHBondContact O-OG 3.1Å
30I93.7Very high90.3Very high96 Ų9664.8 Ų64.849%0.49235%0.351SS..Hα-helixtrans-62.7-46.5175-64.7167.7000109.9L26 P27 F28 Y32 S33 V34L26-I30 HydrophobicContact CD2-CD1 4.33Å; L26-I30 HydrophobicContact CG-CD1 4.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.45Å; L26-I30 PolarHBondContact O-N 3.34Å; L26-I30 VanDerWaalsContact O-N 3.14Å; P27-I30 PolarHBondContact O-N 2.97Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.45Å; I30-Y32 PolarHBondContact O-N 2.99Å; I30-S33 PolarHBondContact O-N 2.82Å; I30-V34 HydrophobicContact CG2-CG2 4.24Å; I30-V34 VanDerWaalsContact O-CG2 3.32Å; I30-V34 WeakPolarHBondContact O-CG2 3.31Å; I30-V34 PolarHBondContact O-N 2.96Å
31L94Very high90.3Very high88 Ų8865.4 Ų65.446%0.46136%0.355SS..Hα-helixtrans-61.9-44.2-178.5-158.6111.8000112.3P27 F28 W35 I59P27-L31 VanDerWaalsContact O-CB 3.29Å; P27-L31 WeakPolarHBondContact O-CB 3.45Å; P27-L31 PolarHBondContact O-N 3.34Å; F28-L31 PolarHBondContact O-N 3.48Å; L31-W35 WeakPolarHBondContact O-CB 3.41Å; L31-W35 PolarHBondContact O-N 2.88Å; L31-I59 HydrophobicContact CD2-CB 4.06Å; L31-I59 HydrophobicContact CD2-CD1 3.68Å; L31-I59 HydrophobicContact CD2-CG1 3.5Å; L31-I59 VanDerWaalsContact CD2-CG1 3.5Å; L31-I59 HydrophobicContact CD2-CG2 3.39Å
32Y94.2Very high90.1Very high50 Ų5065.8 Ų65.820%0.19636%0.361CS..Hα-helixtrans-62.9-43.1173.5-76.8-64.3000111.9F28 I30 W35 I36 V56 I59 G60 Q63F28-Y32 HydrophobicContact CB-CD2 4.46Å; F28-Y32 HydrophobicContact CB-CE2 4.32Å; F28-Y32 WeakPolarHBondContact O-CD2 3.47Å; F28-Y32 PolarHBondContact O-N 3.2Å; I30-Y32 PolarHBondContact O-N 2.99Å; Y32-W35 PolarHBondContact O-N 2.89Å; Y32-I36 WeakPolarHBondContact O-CB 3.37Å; Y32-I36 VanDerWaalsContact O-CG1 3.22Å; Y32-I36 WeakPolarHBondContact O-CG1 3.4Å; Y32-I36 PolarHBondContact O-N 3.02Å; Y32-V56 HydrophobicContact CE1-CG1 4.19Å; Y32-I59 HydrophobicContact CD1-CB 4.42Å; Y32-I59 HydrophobicContact CD1-CD1 4.48Å; Y32-I59 HydrophobicContact CD1-CG2 3.9Å; Y32-I59 HydrophobicContact CD2-CG2 4.33Å; Y32-I59 HydrophobicContact CE1-CB 3.83Å; Y32-I59 HydrophobicContact CE1-CG2 3.43Å; Y32-I59 VanDerWaalsContact CE1-CG2 3.43Å; Y32-I59 HydrophobicContact CE2-CG2 3.91Å; Y32-I59 HydrophobicContact CG-CG2 4.32Å; Y32-I59 VanDerWaalsContact CZ-CG2 3.45Å; Y32-G60 WeakPolarHBondContact OH-CA 3.46Å; Y32-G60 PolarHBondContact OH-N 2.92Å; Y32-Q63 PolarHBondContact OH-OE1 2.88Å; Y32-Q63 VanDerWaalsContact OH-OE1 3.06Å
33S93.8Very high89.6Confident75 Ų7566.6 Ų66.652%0.52437%0.366SS..Hα-helixtrans-64.7-43.2-179-63.60000111.7V29 I30 G37V29-S33 VanDerWaalsContact O-CB 3.31Å; V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.47Å; V29-S33 PolarHBondContact O-OG 3.1Å; I30-S33 PolarHBondContact O-N 2.82Å; S33-G37 PolarHBondContact O-N 3.3Å
34V94.3Very high89Confident99 Ų9967.1 Ų67.160%0.637%0.371SS*.Hα-helixtrans-64.4-45175.2171.70000110.7I30 G37 Y38I30-V34 HydrophobicContact CG2-CG2 4.24Å; I30-V34 VanDerWaalsContact O-CG2 3.32Å; I30-V34 WeakPolarHBondContact O-CG2 3.31Å; I30-V34 PolarHBondContact O-N 2.96Å; V34-G37 PolarHBondContact O-N 3.18Å; V34-Y38 WeakPolarHBondContact O-CB 3.49Å; V34-Y38 PolarHBondContact O-N 2.89Å
35W93.2Very high88.1Confident39 Ų3969.1 Ų69.115%0.14838%0.381CS..Hα-helixtrans-64.3-47.6179.8179.9-113000112.6L31 Y32 G37 Y38 W39 F51 G52 V55 I59L31-W35 WeakPolarHBondContact O-CB 3.41Å; L31-W35 PolarHBondContact O-N 2.88Å; Y32-W35 PolarHBondContact O-N 2.89Å; W35-G37 VanDerWaalsContact C-N 3.31Å; W35-G37 PolarHBondContact O-N 2.85Å; W35-Y38 HydrophobicContact CE3-CD1 4.11Å; W35-Y38 HydrophobicContact CH2-CD1 4.25Å; W35-Y38 HydrophobicContact CH2-CE1 4.46Å; W35-Y38 AromaticContact CZ3-CD1 3.67Å; W35-Y38 HydrophobicContact CZ3-CD1 3.67Å; W35-Y38 HydrophobicContact CZ3-CE1 4.08Å; W35-Y38 PolarHBondContact O-N 3.49Å; W35-W39 WeakPolarHBondContact O-CB 3.03Å; W35-W39 PolarHBondContact O-N 3.34Å; W35-F51 HydrophobicContact CH2-CD1 4.37Å; W35-F51 AromaticContact CH2-CE1 3.77Å; W35-F51 HydrophobicContact CH2-CE1 3.77Å; W35-F51 HydrophobicContact CZ2-CD1 4.48Å; W35-F51 HydrophobicContact CZ2-CE1 4.27Å; W35-G52 PolarHBondContact NE1-O 3.14Å; W35-V55 HydrophobicContact CD2-CB 4.21Å; W35-V55 HydrophobicContact CD2-CG1 3.53Å; W35-V55 HydrophobicContact CE3-CG1 3.95Å; W35-V55 HydrophobicContact CG-CG1 4.1Å; W35-V55 HydrophobicContact CH2-CB 3.96Å; W35-V55 HydrophobicContact CH2-CG1 3.87Å; W35-V55 HydrophobicContact CH2-CG2 3.75Å; W35-V55 HydrophobicContact CZ2-CB 3.26Å; W35-V55 HydrophobicContact CZ2-CG1 3.46Å; W35-V55 VanDerWaalsContact CZ2-CG1 3.46Å; W35-V55 HydrophobicContact CZ2-CG2 3.45Å; W35-V55 VanDerWaalsContact CZ2-CG2 3.45Å; W35-V55 HydrophobicContact CZ3-CG1 4.1Å; W35-I59 HydrophobicContact CB-CD1 3.98Å; W35-I59 HydrophobicContact CG-CD1 3.96Å
36I89.8Confident87.4Confident81 Ų8174.5 Ų74.542%0.41540%0.404SS..Hα-helixtrans-63.7-39.5177.8-68167.8000110.4Y32 W39 T40Y32-I36 WeakPolarHBondContact O-CB 3.37Å; Y32-I36 VanDerWaalsContact O-CG1 3.22Å; Y32-I36 WeakPolarHBondContact O-CG1 3.4Å; Y32-I36 PolarHBondContact O-N 3.02Å; I36-W39 PolarHBondContact O-N 3.32Å; I36-T40 HydrophobicContact CG2-CG2 4.37Å; I36-T40 WeakPolarHBondContact O-CB 3.39Å; I36-T40 WeakPolarHBondContact O-CG2 3.5Å; I36-T40 PolarHBondContact O-N 3.23Å; I36-T40 PolarHBondContact O-OG1 3.28Å
37G90.7Very high86.6Confident27 Ų2778 Ų7828%0.27842%0.418SS..Hα-helixtrans-60.9-44.9174.500000112.5S33 V34 W35 T40 N41S33-G37 PolarHBondContact O-N 3.3Å; V34-G37 PolarHBondContact O-N 3.18Å; W35-G37 VanDerWaalsContact C-N 3.31Å; W35-G37 PolarHBondContact O-N 2.85Å; G37-T40 PolarHBondContact O-OG1 3.48Å; G37-N41 WeakPolarHBondContact O-CB 3.09Å; G37-N41 PolarHBondContact O-N 2.98Å; G37-N41 PolarHBondContact O-ND2 3.46Å
38Y89.7Confident86Confident113 Ų11380.9 Ų80.944%0.44342%0.421SS..Hα-helixtrans-65-45.5176.1179.1-105.8000112.2V34 W35 T40 V42 L43V34-Y38 WeakPolarHBondContact O-CB 3.49Å; V34-Y38 PolarHBondContact O-N 2.89Å; W35-Y38 HydrophobicContact CE3-CD1 4.11Å; W35-Y38 HydrophobicContact CH2-CD1 4.25Å; W35-Y38 HydrophobicContact CH2-CE1 4.46Å; W35-Y38 AromaticContact CZ3-CD1 3.67Å; W35-Y38 HydrophobicContact CZ3-CD1 3.67Å; W35-Y38 HydrophobicContact CZ3-CE1 4.08Å; W35-Y38 PolarHBondContact O-N 3.49Å; Y38-T40 PolarHBondContact O-N 3.21Å; Y38-V42 HydrophobicContact CD2-CB 3.95Å; Y38-V42 HydrophobicContact CD2-CG1 4.46Å; Y38-V42 HydrophobicContact CD2-CG2 3.72Å; Y38-V42 HydrophobicContact CE2-CB 3.8Å; Y38-V42 HydrophobicContact CE2-CG1 3.81Å; Y38-V42 HydrophobicContact CE2-CG2 3.87Å; Y38-V42 WeakPolarHBondContact O-CB 3.4Å; Y38-V42 PolarHBondContact O-N 2.89Å; Y38-L43 HydrophobicContact CD1-CD1 3.75Å; Y38-L43 HydrophobicContact CE1-CD1 3.36Å; Y38-L43 HydrophobicContact CE1-CG 4.24Å
39W88.1Confident85.5Confident22 Ų2284 Ų848%0.08344%0.437CS..Iπ-helixtrans-61.6-43.7179.3-179.125.9000112.2W35 I36 G44 F45 Y48 M49 L53W35-W39 WeakPolarHBondContact O-CB 3.03Å; W35-W39 PolarHBondContact O-N 3.34Å; I36-W39 PolarHBondContact O-N 3.32Å; W39-G44 PolarHBondContact O-N 3.35Å; W39-F45 HydrophobicContact CH2-CE2 4.01Å; W39-F45 HydrophobicContact CZ2-CD2 4.21Å; W39-F45 HydrophobicContact CZ2-CE2 4.08Å; W39-F45 HydrophobicContact CZ3-CE2 4.48Å; W39-Y48 PolarHBondContact NE1-O 2.9Å; W39-M49 HydrophobicContact CZ2-CG 4.39Å; W39-L53 HydrophobicContact CH2-CD2 4.19Å; W39-L53 HydrophobicContact CH2-CG 4.29Å
40T85.9Confident85.3Confident69 Ų6987.7 Ų87.742%0.42345%0.449SS..Iπ-helixtrans-74.5-38.5-17949.90000113.6I36 G37 Y38I36-T40 HydrophobicContact CG2-CG2 4.37Å; I36-T40 WeakPolarHBondContact O-CB 3.39Å; I36-T40 WeakPolarHBondContact O-CG2 3.5Å; I36-T40 PolarHBondContact O-N 3.23Å; I36-T40 PolarHBondContact O-OG1 3.28Å; G37-T40 PolarHBondContact O-OG1 3.48Å; Y38-T40 PolarHBondContact O-N 3.21Å
41N84Confident85Confident137 Ų13788 Ų8873%0.73345%0.447SS*.Iπ-helixtrans-90.7-33.1-173.8-73.3-86.1000114.5G37G37-N41 WeakPolarHBondContact O-CB 3.09Å; G37-N41 PolarHBondContact O-N 2.98Å; G37-N41 PolarHBondContact O-ND2 3.46Å
42V83.1Confident84.7Confident99 Ų9983.8 Ų83.860%0.643%0.425SS*.Iπ-helixtrans-105.7-48.3-170.2-175.90000112.1Y38Y38-V42 HydrophobicContact CD2-CB 3.95Å; Y38-V42 HydrophobicContact CD2-CG1 4.46Å; Y38-V42 HydrophobicContact CD2-CG2 3.72Å; Y38-V42 HydrophobicContact CE2-CB 3.8Å; Y38-V42 HydrophobicContact CE2-CG1 3.81Å; Y38-V42 HydrophobicContact CE2-CG2 3.87Å; Y38-V42 WeakPolarHBondContact O-CB 3.4Å; Y38-V42 PolarHBondContact O-N 2.89Å
43L77.3Confident84.5Confident29 Ų2986 Ų8615%0.15244%0.44CS..Iπ-helixtrans-80.8-22.3-176-83.6145.4000113.1Y38 Y48Y38-L43 HydrophobicContact CD1-CD1 3.75Å; Y38-L43 HydrophobicContact CE1-CD1 3.36Å; Y38-L43 HydrophobicContact CE1-CG 4.24Å; L43-Y48 HydrophobicContact CB-CD2 4.23Å; L43-Y48 HydrophobicContact CD2-CD2 3.52Å; L43-Y48 HydrophobicContact CD2-CE2 4.09Å; L43-Y48 HydrophobicContact CD2-CG 3.79Å; L43-Y48 WeakPolarHBondContact O-CD2 3.19Å
44G72.1Confident84.4Confident29 Ų2987.8 Ų87.830%0.29944%0.442SS..  trans74.4122.8-172.400000111.7W39 Q46 E47W39-G44 PolarHBondContact O-N 3.35Å; G44-Q46 PolarHBondContact O-N 2.92Å; G44-Q46 VanDerWaalsContact O-N 3.12Å; G44-E47 PolarHBondContact O-N 3.42Å
45F69.7Low84.3Confident110 Ų11084.5 Ų84.548%0.48242%0.422SS..THydrogen-bonded Turntrans-58.3-31.7-170.6-174.7-100.4000114.4W39W39-F45 HydrophobicContact CH2-CE2 4.01Å; W39-F45 HydrophobicContact CZ2-CD2 4.21Å; W39-F45 HydrophobicContact CZ2-CE2 4.08Å; W39-F45 HydrophobicContact CZ3-CE2 4.48Å
46Q75.1Confident84.3Confident152 Ų15284.7 Ų84.771%0.7143%0.428SS*.THydrogen-bonded Turntrans-88.9-30.7-174.7-74.7-82.3-25.300113.6G44G44-Q46 PolarHBondContact O-N 2.92Å; G44-Q46 VanDerWaalsContact O-N 3.12Å
47E74Confident84.5Confident156 Ų15683.9 Ų83.973%0.72943%0.433SS*.THydrogen-bonded Turntrans-78.3-35.4-172.7-75.7-176.716100112.9G44G44-E47 PolarHBondContact O-N 3.42Å
48Y78.3Confident84.6Confident125 Ų12585.1 Ų85.149%0.4944%0.441SS..THydrogen-bonded Turntrans-127.450.7-176.2-60-78.5000112.5W39 L43 G52W39-Y48 PolarHBondContact NE1-O 2.9Å; L43-Y48 HydrophobicContact CB-CD2 4.23Å; L43-Y48 HydrophobicContact CD2-CD2 3.52Å; L43-Y48 HydrophobicContact CD2-CE2 4.09Å; L43-Y48 HydrophobicContact CD2-CG 3.79Å; L43-Y48 WeakPolarHBondContact O-CD2 3.19Å; Y48-G52 PolarHBondContact O-N 3.28Å; Y48-G52 VanDerWaalsContact O-N 3.16Å
49M82.9Confident84.9Confident87 Ų8780.5 Ų80.543%0.42942%0.424SS..Hα-helixtrans-62.5-46.8-178.1-163.4-167.3-34.700112.3W39 F51 G52 L53W39-M49 HydrophobicContact CZ2-CG 4.39Å; M49-F51 PolarHBondContact O-N 3.37Å; M49-G52 PolarHBondContact O-N 3.17Å; M49-L53 HydrophobicContact CG-CD1 4.38Å; M49-L53 WeakPolarHBondContact O-CG 3.3Å; M49-L53 PolarHBondContact O-N 2.9Å; M49-L53 VanDerWaalsContact O-N 3.1Å
50E86.9Confident85.1Confident158 Ų15880.1 Ų80.174%0.73843%0.426SS*.Hα-helixtrans-61.8-46.5-177.8-62.6177.917800111.7G52 L53 I54E50-G52 PolarHBondContact O-N 3.46Å; E50-L53 PolarHBondContact O-N 3.43Å; E50-I54 VanDerWaalsContact O-CG1 3.27Å; E50-I54 WeakPolarHBondContact O-CG1 3.47Å; E50-I54 PolarHBondContact O-N 2.96Å
51F87.8Confident85.4Confident103 Ų10380.7 Ų80.745%0.45242%0.423SS..Hα-helixtrans-62.8-42.6179-177.3-106.6000112W35 M49 L53 I54 V55W35-F51 HydrophobicContact CH2-CD1 4.37Å; W35-F51 AromaticContact CH2-CE1 3.77Å; W35-F51 HydrophobicContact CH2-CE1 3.77Å; W35-F51 HydrophobicContact CZ2-CD1 4.48Å; W35-F51 HydrophobicContact CZ2-CE1 4.27Å; M49-F51 PolarHBondContact O-N 3.37Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 2.8Å; F51-I54 PolarHBondContact O-N 3.48Å; F51-V55 HydrophobicContact CE1-CG2 4.28Å; F51-V55 HydrophobicContact CE2-CG2 4.31Å; F51-V55 HydrophobicContact CZ-CG2 4.09Å; F51-V55 WeakPolarHBondContact O-CG2 3.43Å; F51-V55 PolarHBondContact O-N 3.3Å; F51-V55 VanDerWaalsContact O-N 3.15Å
52G88.9Confident85.9Confident0 Ų077.8 Ų77.80%041%0.41CS..Hα-helixtrans-57-46.3175.400000112.5W35 Y48 M49 E50 V55 V56W35-G52 PolarHBondContact NE1-O 3.14Å; Y48-G52 PolarHBondContact O-N 3.28Å; Y48-G52 VanDerWaalsContact O-N 3.16Å; M49-G52 PolarHBondContact O-N 3.17Å; E50-G52 PolarHBondContact O-N 3.46Å; G52-V55 PolarHBondContact O-N 3.49Å; G52-V56 WeakPolarHBondContact O-CG2 3.08Å; G52-V56 PolarHBondContact O-N 3.34Å; G52-V56 VanDerWaalsContact O-N 3.1Å
53L89.4Confident86.5Confident97 Ų9775.4 Ų75.451%0.50839%0.393SS..Hα-helixtrans-65.4-41.8178.5-70.4172.8000112.7W39 M49 E50 F51 V55 V56 A57W39-L53 HydrophobicContact CH2-CD2 4.19Å; W39-L53 HydrophobicContact CH2-CG 4.29Å; M49-L53 HydrophobicContact CG-CD1 4.38Å; M49-L53 WeakPolarHBondContact O-CG 3.3Å; M49-L53 PolarHBondContact O-N 2.9Å; M49-L53 VanDerWaalsContact O-N 3.1Å; E50-L53 PolarHBondContact O-N 3.43Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 2.8Å; L53-V55 VanDerWaalsContact C-N 3.32Å; L53-V55 PolarHBondContact O-N 3.31Å; L53-V56 PolarHBondContact O-N 3.04Å; L53-A57 WeakPolarHBondContact O-CB 3.49Å; L53-A57 PolarHBondContact O-N 3.25Å
54I91.3Very high87.2Confident111 Ų11178.7 Ų78.757%0.56941%0.409SS*.Hα-helixtrans-59.5-44.3178-69.9163.7000110.7E50 F51 A57 A58E50-I54 VanDerWaalsContact O-CG1 3.27Å; E50-I54 WeakPolarHBondContact O-CG1 3.47Å; E50-I54 PolarHBondContact O-N 2.96Å; F51-I54 PolarHBondContact O-N 3.48Å; I54-A57 PolarHBondContact O-N 3.26Å; I54-A58 WeakPolarHBondContact O-CB 3.49Å; I54-A58 PolarHBondContact O-N 3.29Å
55V92.7Very high88.1Confident31 Ų3180.8 Ų80.819%0.18841%0.413CS..Hα-helixtrans-69.7-39.1179.9177.50000111.4W35 F51 G52 L53 A57 A58 I59W35-V55 HydrophobicContact CD2-CB 4.21Å; W35-V55 HydrophobicContact CD2-CG1 3.53Å; W35-V55 HydrophobicContact CE3-CG1 3.95Å; W35-V55 HydrophobicContact CG-CG1 4.1Å; W35-V55 HydrophobicContact CH2-CB 3.96Å; W35-V55 HydrophobicContact CH2-CG1 3.87Å; W35-V55 HydrophobicContact CH2-CG2 3.75Å; W35-V55 HydrophobicContact CZ2-CB 3.26Å; W35-V55 HydrophobicContact CZ2-CG1 3.46Å; W35-V55 VanDerWaalsContact CZ2-CG1 3.46Å; W35-V55 HydrophobicContact CZ2-CG2 3.45Å; W35-V55 VanDerWaalsContact CZ2-CG2 3.45Å; W35-V55 HydrophobicContact CZ3-CG1 4.1Å; F51-V55 HydrophobicContact CE1-CG2 4.28Å; F51-V55 HydrophobicContact CE2-CG2 4.31Å; F51-V55 HydrophobicContact CZ-CG2 4.09Å; F51-V55 WeakPolarHBondContact O-CG2 3.43Å; F51-V55 PolarHBondContact O-N 3.3Å; F51-V55 VanDerWaalsContact O-N 3.15Å; G52-V55 PolarHBondContact O-N 3.49Å; L53-V55 VanDerWaalsContact C-N 3.32Å; L53-V55 PolarHBondContact O-N 3.31Å; V55-A57 VanDerWaalsContact C-N 3.3Å; V55-A57 PolarHBondContact O-N 3.42Å; V55-A58 PolarHBondContact O-N 2.87Å; V55-I59 HydrophobicContact CG1-CD1 4.01Å; V55-I59 HydrophobicContact CG1-CG1 4.4Å; V55-I59 VanDerWaalsContact O-CG1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.43Å; V55-I59 PolarHBondContact O-N 3.24Å
56V93.4Very high89.2Confident43 Ų4376.8 Ų76.826%0.26140%0.398SS..Hα-helixtrans-58.6-44.6172.6171.40000110.7Y32 G52 L53 A58 I59 G60Y32-V56 HydrophobicContact CE1-CG1 4.19Å; G52-V56 WeakPolarHBondContact O-CG2 3.08Å; G52-V56 PolarHBondContact O-N 3.34Å; G52-V56 VanDerWaalsContact O-N 3.1Å; L53-V56 PolarHBondContact O-N 3.04Å; V56-A58 PolarHBondContact O-N 3.33Å; V56-I59 PolarHBondContact O-N 2.88Å; V56-G60 PolarHBondContact O-N 3.42Å
57A92.5Very high90.1Very high64 Ų6471.9 Ų71.953%0.52938%0.379SS..Hα-helixtrans-62.7-40.9176.500000112.1L53 I54 V55 G60 F61L53-A57 WeakPolarHBondContact O-CB 3.49Å; L53-A57 PolarHBondContact O-N 3.25Å; I54-A57 PolarHBondContact O-N 3.26Å; V55-A57 VanDerWaalsContact C-N 3.3Å; V55-A57 PolarHBondContact O-N 3.42Å; A57-G60 PolarHBondContact O-N 3.24Å; A57-F61 PolarHBondContact O-N 3.06Å
58A93.4Very high90.9Very high53 Ų5366 Ų6644%0.43835%0.352SS..Hα-helixtrans-63.3-42.8176.300000112.2I54 V55 V56 G60 F61 V62I54-A58 WeakPolarHBondContact O-CB 3.49Å; I54-A58 PolarHBondContact O-N 3.29Å; V55-A58 PolarHBondContact O-N 2.87Å; V56-A58 PolarHBondContact O-N 3.33Å; A58-G60 VanDerWaalsContact C-N 3.33Å; A58-G60 PolarHBondContact O-N 3.09Å; A58-F61 PolarHBondContact O-N 2.93Å; A58-V62 WeakPolarHBondContact O-CG2 3.44Å; A58-V62 PolarHBondContact O-N 3.32Å
59I95.3Very high91.6Very high16 Ų1661.4 Ų61.48%0.08234%0.339CS..Hα-helixtrans-60.7-45.1174.5-64.9165.7000110.2F28 L31 Y32 W35 V55 V56 F61 V62 Q63F28-I59 HydrophobicContact CD1-CG2 4.13Å; L31-I59 HydrophobicContact CD2-CB 4.06Å; L31-I59 HydrophobicContact CD2-CD1 3.68Å; L31-I59 HydrophobicContact CD2-CG1 3.5Å; L31-I59 VanDerWaalsContact CD2-CG1 3.5Å; L31-I59 HydrophobicContact CD2-CG2 3.39Å; Y32-I59 HydrophobicContact CD1-CB 4.42Å; Y32-I59 HydrophobicContact CD1-CD1 4.48Å; Y32-I59 HydrophobicContact CD1-CG2 3.9Å; Y32-I59 HydrophobicContact CD2-CG2 4.33Å; Y32-I59 HydrophobicContact CE1-CB 3.83Å; Y32-I59 HydrophobicContact CE1-CG2 3.43Å; Y32-I59 VanDerWaalsContact CE1-CG2 3.43Å; Y32-I59 HydrophobicContact CE2-CG2 3.91Å; Y32-I59 HydrophobicContact CG-CG2 4.32Å; Y32-I59 VanDerWaalsContact CZ-CG2 3.45Å; W35-I59 HydrophobicContact CB-CD1 3.98Å; W35-I59 HydrophobicContact CG-CD1 3.96Å; V55-I59 HydrophobicContact CG1-CD1 4.01Å; V55-I59 HydrophobicContact CG1-CG1 4.4Å; V55-I59 VanDerWaalsContact O-CG1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.43Å; V55-I59 PolarHBondContact O-N 3.24Å; V56-I59 PolarHBondContact O-N 2.88Å; I59-F61 VanDerWaalsContact C-N 3.34Å; I59-F61 PolarHBondContact O-N 3.49Å; I59-V62 PolarHBondContact O-N 2.92Å; I59-Q63 WeakPolarHBondContact O-CB 3.41Å; I59-Q63 PolarHBondContact O-N 3.12Å
60G93.6Very high91.9Very high14 Ų1457.8 Ų57.814%0.14432%0.322CS..Hα-helixtrans-60.7-41.9176.700000112.8Y32 V56 A57 A58 Q63 I64Y32-G60 WeakPolarHBondContact OH-CA 3.46Å; Y32-G60 PolarHBondContact OH-N 2.92Å; V56-G60 PolarHBondContact O-N 3.42Å; A57-G60 PolarHBondContact O-N 3.24Å; A58-G60 VanDerWaalsContact C-N 3.33Å; A58-G60 PolarHBondContact O-N 3.09Å; G60-Q63 WeakPolarHBondContact O-CB 3.42Å; G60-Q63 PolarHBondContact O-N 3.15Å; G60-I64 VanDerWaalsContact O-CG1 3.3Å; G60-I64 WeakPolarHBondContact O-CG1 3.38Å; G60-I64 PolarHBondContact O-N 3.45Å
61F92.4Very high92Very high80 Ų8054.5 Ų54.535%0.35131%0.306SS..Hα-helixtrans-62.5-45.7176.3-176.7-107.7000112.1A57 A58 I59 Q63 I64 I65 F203A57-F61 PolarHBondContact O-N 3.06Å; A58-F61 PolarHBondContact O-N 2.93Å; I59-F61 VanDerWaalsContact C-N 3.34Å; I59-F61 PolarHBondContact O-N 3.49Å; F61-Q63 VanDerWaalsContact C-N 3.3Å; F61-Q63 PolarHBondContact O-N 2.86Å; F61-I64 PolarHBondContact O-N 3.38Å; F61-I65 HydrophobicContact CD1-CD1 3.83Å; F61-I65 HydrophobicContact CE1-CD1 3.33Å; F61-I65 HydrophobicContact CE1-CG1 4.37Å; F61-I65 HydrophobicContact CE2-CD1 4.41Å; F61-I65 HydrophobicContact CZ-CD1 3.67Å; F61-I65 HydrophobicContact CZ-CG1 4.38Å; F61-I65 PolarHBondContact O-N 3.12Å; F61-F203 HydrophobicContact CD2-CD2 4.2Å; F61-F203 AromaticContact CD2-CE2 3.6Å; F61-F203 HydrophobicContact CD2-CE2 3.6Å; F61-F203 AromaticContact CD2-CZ 3.96Å; F61-F203 HydrophobicContact CD2-CZ 3.96Å; F61-F203 HydrophobicContact CE2-CD1 4.29Å; F61-F203 AromaticContact CE2-CD2 3.77Å; F61-F203 HydrophobicContact CE2-CD2 3.77Å; F61-F203 AromaticContact CE2-CE1 3.9Å; F61-F203 HydrophobicContact CE2-CE1 3.9Å; F61-F203 AromaticContact CE2-CE2 3.34Å; F61-F203 HydrophobicContact CE2-CE2 3.34Å; F61-F203 HydrophobicContact CE2-CG 4.22Å; F61-F203 AromaticContact CE2-CZ 3.4Å; F61-F203 HydrophobicContact CE2-CZ 3.4Å; F61-F203 VanDerWaalsContact CE2-CZ 3.4Å; F61-F203 HydrophobicContact CZ-CE1 4.14Å; F61-F203 HydrophobicContact CZ-CE2 4.29Å; F61-F203 AromaticContact CZ-CZ 3.9Å; F61-F203 HydrophobicContact CZ-CZ 3.9Å
62V94.1Very high92.1Very high76 Ų7654.4 Ų54.446%0.46130%0.303SS..Hα-helixtrans-61.9-39.9175.31750000110.9F28 A58 I59 I64 I65 V66F28-V62 HydrophobicContact CE1-CB 4.46Å; F28-V62 HydrophobicContact CE1-CG1 4.12Å; F28-V62 HydrophobicContact CZ-CG1 4.16Å; A58-V62 WeakPolarHBondContact O-CG2 3.44Å; A58-V62 PolarHBondContact O-N 3.32Å; I59-V62 PolarHBondContact O-N 2.92Å; V62-I64 PolarHBondContact O-N 3.29Å; V62-I65 PolarHBondContact O-N 3.46Å; V62-V66 WeakPolarHBondContact O-CG2 3.34Å; V62-V66 PolarHBondContact O-N 2.96Å
63Q94.5Very high92.2Very high50 Ų5060.2 Ų60.223%0.23433%0.328CS..Hα-helixtrans-60.5-45.3176-170.1-178.98.900112F28 Y32 I59 G60 F61 I65 V66 C67F28-Q63 HydrophobicContact CB-CG 4.3Å; F28-Q63 HydrophobicContact CD1-CB 3.58Å; F28-Q63 HydrophobicContact CD1-CG 3.8Å; F28-Q63 HydrophobicContact CD2-CG 4.01Å; F28-Q63 VanDerWaalsContact CE1-CA 3.42Å; F28-Q63 HydrophobicContact CE1-CB 3.54Å; F28-Q63 HydrophobicContact CE1-CG 4.08Å; F28-Q63 HydrophobicContact CE2-CB 4.47Å; F28-Q63 HydrophobicContact CE2-CG 4.26Å; F28-Q63 HydrophobicContact CG-CB 4.08Å; F28-Q63 HydrophobicContact CG-CG 3.76Å; F28-Q63 VanDerWaalsContact CZ-CA 3.5Å; F28-Q63 HydrophobicContact CZ-CB 4.01Å; F28-Q63 HydrophobicContact CZ-CG 4.3Å; Y32-Q63 PolarHBondContact OH-OE1 2.88Å; Y32-Q63 VanDerWaalsContact OH-OE1 3.06Å; I59-Q63 WeakPolarHBondContact O-CB 3.41Å; I59-Q63 PolarHBondContact O-N 3.12Å; G60-Q63 WeakPolarHBondContact O-CB 3.42Å; G60-Q63 PolarHBondContact O-N 3.15Å; F61-Q63 VanDerWaalsContact C-N 3.3Å; F61-Q63 PolarHBondContact O-N 2.86Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.19Å; Q63-V66 PolarHBondContact O-N 3.21Å; Q63-C67 PolarHBondContact O-N 2.95Å; Q63-C67 PolarHBondContact O-SG 3.2Å; Q63-C67 VanDerWaalsContact O-SG 3.32Å
64I92.7Very high92.2Very high98 Ų9857.5 Ų57.550%0.50332%0.316SS..Hα-helixtrans-60.5-44.7177.4-68.8164.5000110.4G60 F61 V62 V66 C67 L68G60-I64 VanDerWaalsContact O-CG1 3.3Å; G60-I64 WeakPolarHBondContact O-CG1 3.38Å; G60-I64 PolarHBondContact O-N 3.45Å; F61-I64 PolarHBondContact O-N 3.38Å; V62-I64 PolarHBondContact O-N 3.29Å; I64-V66 PolarHBondContact O-N 3.47Å; I64-C67 WeakPolarHBondContact O-CB 3.36Å; I64-C67 PolarHBondContact O-N 3.44Å; I64-L68 HydrophobicContact CG2-CD1 3.86Å; I64-L68 HydrophobicContact CG2-CG 4.46Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.9Å
65I92Very high92.1Very high72 Ų7258 Ų5837%0.36932%0.315SS..Hα-helixtrans-60.2-46.2176.3-70.2172.6000111.1F61 V62 Q63 C67 L68 C69F61-I65 HydrophobicContact CD1-CD1 3.83Å; F61-I65 HydrophobicContact CE1-CD1 3.33Å; F61-I65 HydrophobicContact CE1-CG1 4.37Å; F61-I65 HydrophobicContact CE2-CD1 4.41Å; F61-I65 HydrophobicContact CZ-CD1 3.67Å; F61-I65 HydrophobicContact CZ-CG1 4.38Å; F61-I65 PolarHBondContact O-N 3.12Å; V62-I65 PolarHBondContact O-N 3.46Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.19Å; I65-C67 VanDerWaalsContact C-N 3.31Å; I65-C67 PolarHBondContact O-N 3.27Å; I65-L68 PolarHBondContact O-N 2.93Å; I65-L68 VanDerWaalsContact O-N 3.15Å; I65-C69 PolarHBondContact O-N 3.3Å; I65-C69 PolarHBondContact O-SG 3Å
66V93Very high92Very high27 Ų2759.3 Ų59.316%0.16432%0.319CS..Hα-helixtrans-61.6-40.7178.7172.10000111.3F28 V62 Q63 I64 C69 C70 F76F28-V66 HydrophobicContact CE2-CB 4.13Å; F28-V66 HydrophobicContact CE2-CG1 4.13Å; F28-V66 HydrophobicContact CE2-CG2 4.21Å; F28-V66 HydrophobicContact CZ-CB 4.13Å; F28-V66 HydrophobicContact CZ-CG2 3.86Å; V62-V66 WeakPolarHBondContact O-CG2 3.34Å; V62-V66 PolarHBondContact O-N 2.96Å; Q63-V66 PolarHBondContact O-N 3.21Å; I64-V66 PolarHBondContact O-N 3.47Å; V66-C69 PolarHBondContact O-N 2.93Å; V66-C70 PolarHBondContact O-N 3.36Å; V66-C70 PolarHBondContact O-SG 2.7Å; V66-F76 HydrophobicContact CG1-CE1 4.02Å; V66-F76 HydrophobicContact CG1-CZ 4.23Å
67C92.1Very high91.9Very high49 Ų4961.9 Ų61.933%0.33133%0.327SS..Hα-helixtrans-62.6-41.6174.3-71.60000112.2Q63 I64 I65 C70 H71Q63-C67 PolarHBondContact O-N 2.95Å; Q63-C67 PolarHBondContact O-SG 3.2Å; Q63-C67 VanDerWaalsContact O-SG 3.32Å; I64-C67 WeakPolarHBondContact O-CB 3.36Å; I64-C67 PolarHBondContact O-N 3.44Å; I65-C67 VanDerWaalsContact C-N 3.31Å; I65-C67 PolarHBondContact O-N 3.27Å; C67-C70 WeakPolarHBondContact O-CB 3.49Å; C67-C70 PolarHBondContact O-N 3.46Å; C67-H71 PolarHBondContact O-N 3.27Å
68L92.1Very high91.8Very high31 Ų3159.2 Ų59.216%0.16230%0.304CS..Hα-helixtrans-66.5-41.4175.7-72.8164.1000111.9I64 I65 C70 H71 W72 V199I64-L68 HydrophobicContact CG2-CD1 3.86Å; I64-L68 HydrophobicContact CG2-CG 4.46Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.9Å; I65-L68 PolarHBondContact O-N 2.93Å; I65-L68 VanDerWaalsContact O-N 3.15Å; L68-C70 VanDerWaalsContact C-N 3.27Å; L68-C70 PolarHBondContact O-N 3.37Å; L68-H71 WeakPolarHBondContact O-CA 3.21Å; L68-H71 WeakPolarHBondContact O-CB 3.42Å; L68-H71 PolarHBondContact O-N 3.39Å; L68-W72 HydrophobicContact CB-CH2 4.42Å; L68-W72 HydrophobicContact CB-CZ2 4.38Å; L68-W72 HydrophobicContact CD2-CZ2 4.34Å; L68-W72 PolarHBondContact O-N 3.17Å; L68-V199 HydrophobicContact CD1-CG1 3.69Å; L68-V199 HydrophobicContact CD2-CG2 4.16Å
69C91.7Very high91.7Very high30 Ų3062.5 Ų62.520%0.20331%0.314CS..Hα-helixtrans-59.8-37.9173.1-69.20000111.9I65 V66 H71 W72 F73 F76I65-C69 PolarHBondContact O-N 3.3Å; I65-C69 PolarHBondContact O-SG 3Å; V66-C69 PolarHBondContact O-N 2.93Å; C69-H71 PolarHBondContact O-N 3.2Å; C69-W72 PolarHBondContact O-N 3.3Å; C69-F73 HydrophobicContact CB-CD2 4.43Å; C69-F73 WeakPolarHBondContact O-CB 3.28Å; C69-F73 PolarHBondContact O-N 3.15Å; C69-F76 HydrophobicContact CB-CD1 3.86Å; C69-F76 HydrophobicContact CB-CE1 3.81Å; C69-F76 HydrophobicContact CB-CZ 4.46Å
70C90.9Very high91.3Very high10 Ų1063.9 Ų63.97%0.06832%0.32CS..Hα-helixtrans-65.8-24.9172.7-66.80000112.9V66 C67 L68 F76 K77V66-C70 PolarHBondContact O-N 3.36Å; V66-C70 PolarHBondContact O-SG 2.7Å; C67-C70 WeakPolarHBondContact O-CB 3.49Å; C67-C70 PolarHBondContact O-N 3.46Å; L68-C70 VanDerWaalsContact C-N 3.27Å; L68-C70 PolarHBondContact O-N 3.37Å; C70-F76 HydrophobicContact CB-CD1 4.34Å; C70-F76 VanDerWaalsContact SG-CD1 3.5Å; C70-F76 VanDerWaalsContact SG-CE1 3.5Å; C70-K77 WeakPolarHBondContact O-CB 3.4Å
71H89.2Confident91.2Very high90 Ų9063.6 Ų63.642%0.41732%0.315SS..Hα-helixtrans-81.6-43.4176-174.460.5000111.9C67 L68 C69 T194C67-H71 PolarHBondContact O-N 3.27Å; L68-H71 WeakPolarHBondContact O-CA 3.21Å; L68-H71 WeakPolarHBondContact O-CB 3.42Å; L68-H71 PolarHBondContact O-N 3.39Å; C69-H71 PolarHBondContact O-N 3.2Å; H71-T194 PolarHBondContact NE2-OG1 2.82Å
72W89.1Confident91.1Very high101 Ų10160.3 Ų60.338%0.38330%0.302SS..Hα-helixtrans-77.3-37.7-177.1-62.3-24.3000113.8L68 C69 T194 P196L68-W72 HydrophobicContact CB-CH2 4.42Å; L68-W72 HydrophobicContact CB-CZ2 4.38Å; L68-W72 HydrophobicContact CD2-CZ2 4.34Å; L68-W72 PolarHBondContact O-N 3.17Å; C69-W72 PolarHBondContact O-N 3.3Å; W72-T194 WeakPolarHBondContact CZ2-O 3.44Å; W72-T194 PolarHBondContact NE1-O 3.24Å; W72-P196 HydrophobicContact CH2-CB 3.78Å; W72-P196 HydrophobicContact CZ2-CB 3.9Å
73F90.8Very high90.9Very high121 Ų12162.5 Ų62.553%0.53131%0.306SS..  trans-111.2109.9-174.3-59.1-74.2000110.7C69 E75 F76 K77C69-F73 HydrophobicContact CB-CD2 4.43Å; C69-F73 WeakPolarHBondContact O-CB 3.28Å; C69-F73 PolarHBondContact O-N 3.15Å; F73-E75 VanDerWaalsContact C-N 3.25Å; F73-E75 PolarHBondContact O-N 2.91Å; F73-F76 HydrophobicContact CB-CB 3.78Å; F73-F76 PolarHBondContact O-N 3.39Å; F73-K77 PolarHBondContact O-N 2.95Å
74V89.1Confident90.8Very high40 Ų4066.1 Ų66.124%0.24232%0.32CS..Hα-helixtrans-60.9-36.8178.9178.30000111.5K77 C78 S105 I107V74-K77 WeakPolarHBondContact O-CB 3.22Å; V74-K77 PolarHBondContact O-N 3.47Å; V74-C78 PolarHBondContact O-N 3.39Å; V74-C78 PolarHBondContact O-SG 3.37Å; V74-C78 VanDerWaalsContact O-SG 3.37Å; V74-S105 WeakPolarHBondContact CG2-O 3.5Å; V74-I107 HydrophobicContact CG1-CD1 3.76Å; V74-I107 HydrophobicContact CG1-CG1 3.61Å
75E90.4Very high90.8Very high121 Ų12164 Ų6457%0.56531%0.309SS*.Hα-helixtrans-65.5-42.3177.9-50.2-151.7124.400112.2F73 K77 C78 L79 K95F73-E75 VanDerWaalsContact C-N 3.25Å; F73-E75 PolarHBondContact O-N 2.91Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-C78 WeakPolarHBondContact O-CB 3.45Å; E75-C78 PolarHBondContact O-N 3.13Å; E75-L79 PolarHBondContact O-N 3.4Å; E75-K95 IonicContact OE1-NZ 2.92Å; E75-K95 PolarHBondContact OE1-NZ 3.45Å
76F89.6Confident90.7Very high60 Ų6065.5 Ų65.526%0.26333%0.326SS..Hα-helixtrans-65.9-38.9176.2-167.6-101.2000111.1V66 C69 C70 F73 L79 M80V66-F76 HydrophobicContact CG1-CE1 4.02Å; V66-F76 HydrophobicContact CG1-CZ 4.23Å; C69-F76 HydrophobicContact CB-CD1 3.86Å; C69-F76 HydrophobicContact CB-CE1 3.81Å; C69-F76 HydrophobicContact CB-CZ 4.46Å; C70-F76 HydrophobicContact CB-CD1 4.34Å; C70-F76 VanDerWaalsContact SG-CD1 3.5Å; C70-F76 VanDerWaalsContact SG-CE1 3.5Å; F73-F76 HydrophobicContact CB-CB 3.78Å; F73-F76 PolarHBondContact O-N 3.39Å; F76-L79 WeakPolarHBondContact O-CB 3.42Å; F76-L79 PolarHBondContact O-N 3.24Å; F76-M80 HydrophobicContact CD1-CG 4.05Å; F76-M80 HydrophobicContact CE1-CE 3.93Å; F76-M80 HydrophobicContact CE1-CG 3.77Å; F76-M80 HydrophobicContact CE2-CE 3.64Å; F76-M80 HydrophobicContact CZ-CE 3.25Å; F76-M80 HydrophobicContact CZ-CG 4.05Å; F76-M80 WeakPolarHBondContact O-CB 3.21Å; F76-M80 WeakPolarHBondContact O-CG 3.15Å; F76-M80 PolarHBondContact O-N 3.27Å
77K91.7Very high90.6Very high97 Ų9765.4 Ų65.442%0.42233%0.326SS..Hα-helixtrans-59.1-47.1171.8-168178.9175.5-177.80111.9C70 F73 V74 E75 L79 M80 T81 I107C70-K77 WeakPolarHBondContact O-CB 3.4Å; F73-K77 PolarHBondContact O-N 2.95Å; V74-K77 WeakPolarHBondContact O-CB 3.22Å; V74-K77 PolarHBondContact O-N 3.47Å; E75-K77 VanDerWaalsContact C-N 3.33Å; K77-L79 VanDerWaalsContact C-N 3.31Å; K77-L79 PolarHBondContact O-N 3.43Å; K77-M80 PolarHBondContact O-N 3.01Å; K77-T81 VanDerWaalsContact O-CB 3.28Å; K77-T81 WeakPolarHBondContact O-CB 3.48Å; K77-T81 PolarHBondContact O-N 3.47Å; K77-I107 HydrophobicContact CD-CD1 4.15Å
78C90.4Very high90.5Very high7 Ų763.1 Ų63.15%0.04731%0.31CS..Hα-helixtrans-59-43.8176.1-73.60000111.3F14 V74 E75 C82 I107F14-C78 HydrophobicContact CE1-CB 4.31Å; F14-C78 HydrophobicContact CE2-CB 4.36Å; F14-C78 HydrophobicContact CZ-CB 4.01Å; V74-C78 PolarHBondContact O-N 3.39Å; V74-C78 PolarHBondContact O-SG 3.37Å; V74-C78 VanDerWaalsContact O-SG 3.37Å; E75-C78 WeakPolarHBondContact O-CB 3.45Å; E75-C78 PolarHBondContact O-N 3.13Å; C78-C82 WeakPolarHBondContact O-CA 3.37Å; C78-C82 WeakPolarHBondContact O-CB 3.47Å; C78-C82 PolarHBondContact O-N 3.35Å; C78-I107 WeakPolarHBondContact SG-CD1 3.22Å
79L90Very high90.4Very high123 Ų12363.3 Ų63.364%0.64432%0.316SS*.Hα-helixtrans-62.3-44.6178.4-175.270.5000112.2E75 F76 K77E75-L79 PolarHBondContact O-N 3.4Å; F76-L79 WeakPolarHBondContact O-CB 3.42Å; F76-L79 PolarHBondContact O-N 3.24Å; K77-L79 VanDerWaalsContact C-N 3.31Å; K77-L79 PolarHBondContact O-N 3.43Å
80M88.4Confident90.3Very high45 Ų4564.2 Ų64.222%0.22233%0.326CS..Hα-helixtrans-80.8-32.4-173.5-71.5-61.4-178.200114G23 F76 K77G23-M80 PolarHBondContact N-O 3.02Å; F76-M80 HydrophobicContact CD1-CG 4.05Å; F76-M80 HydrophobicContact CE1-CE 3.93Å; F76-M80 HydrophobicContact CE1-CG 3.77Å; F76-M80 HydrophobicContact CE2-CE 3.64Å; F76-M80 HydrophobicContact CZ-CE 3.25Å; F76-M80 HydrophobicContact CZ-CG 4.05Å; F76-M80 WeakPolarHBondContact O-CB 3.21Å; F76-M80 WeakPolarHBondContact O-CG 3.15Å; F76-M80 PolarHBondContact O-N 3.27Å; K77-M80 PolarHBondContact O-N 3.01Å
81T90.1Very high90.4Very high7 Ų763.8 Ų63.84%0.04332%0.323CS..Hα-helixtrans-111.7-26.7-168.9-62.30000112.9L16 R17 H22 K77L16-T81 HydrophobicContact CD2-CG2 3.57Å; L16-T81 HydrophobicContact CG-CG2 4.2Å; R17-T81 WeakPolarHBondContact CB-O 3.43Å; R17-T81 WeakPolarHBondContact CG-O 3.27Å; R17-T81 PolarHBondContact N-O 2.91Å; H22-T81 WeakPolarHBondContact CD2-CG2 3.29Å; H22-T81 PolarHBondContact CD2-OG1 3Å; H22-T81 WeakPolarHBondContact NE2-CG2 3.47Å; K77-T81 VanDerWaalsContact O-CB 3.28Å; K77-T81 WeakPolarHBondContact O-CB 3.48Å; K77-T81 PolarHBondContact O-N 3.47Å
82C90.3Very high90.5Very high11 Ų1163.2 Ų63.27%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-106.2155.9-167.8-550000112.7F14 T15 R17 C78F14-C82 HydrophobicContact CB-CB 3.93Å; F14-C82 HydrophobicContact CD1-CB 3.41Å; F14-C82 VanDerWaalsContact CD1-CB 3.41Å; F14-C82 HydrophobicContact CE1-CB 4.15Å; F14-C82 HydrophobicContact CG-CB 3.84Å; T15-C82 WeakPolarHBondContact O-CA 3.35Å; R17-C82 PolarHBondContact NE-O 2.9Å; C78-C82 WeakPolarHBondContact O-CA 3.37Å; C78-C82 WeakPolarHBondContact O-CB 3.47Å; C78-C82 PolarHBondContact O-N 3.35Å
83K90.9Very high90.8Very high123 Ų12361.4 Ų61.454%0.53531%0.314SS..EExtended strand (participates in β ladder)trans-112.6129.4166-175.9-177.5175.4-173.70107.8F14 T15 R17F14-K83 WeakPolarHBondContact CA-O 3.36Å; T15-K83 PolarHBondContact N-O 2.85Å; T15-K83 PolarHBondContact O-N 2.97Å; R17-K83 HydrophobicContact CG-CB 4.39Å
84K92.6Very high91Very high125 Ų12555.7 Ų55.754%0.54329%0.289SS..EExtended strand (participates in β ladder)trans-70135.8178-168.4166.3-178.1161.80109.9E12 L13 F14E12-K84 IonicContact OE1-NZ 2.7Å; E12-K84 PolarHBondContact OE1-NZ 3.03Å; L13-K84 WeakPolarHBondContact O-CA 3.42Å; F14-K84 HydrophobicContact CD1-CB 4.42Å; F14-K84 HydrophobicContact CE1-CB 4.1Å; F14-K84 HydrophobicContact CE1-CG 4.44Å
85Q91.9Very high91.2Very high55 Ų5554.4 Ų54.426%0.25728%0.28SS..EExtended strand (participates in β ladder)trans-119152.1-179.1-162.763.311.600110.5L13 A90L13-Q85 HydrophobicContact CB-CB 4.34Å; L13-Q85 PolarHBondContact O-N 3.03Å; Q85-A90 HydrophobicContact CG-CB 3.85Å
86S89.6Confident91.3Very high103 Ų10348.6 Ų48.672%0.7225%0.253SS*.SBendtrans-93.9-28.8179.3510000114.1
87S91.1Very high91.5Very high25 Ų2547.3 Ų47.318%0.17525%0.25CS..BIsolated β-bridgetrans-113143.1-175.41440000110.6A89 S91 D135S87-A89 PolarHBondContact OG-N 3.37Å; S87-S91 PolarHBondContact O-N 2.86Å; S87-D135 WeakPolarHBondContact CB-OD2 3.49Å; S87-D135 PolarHBondContact OG-OD1 3.28Å; S87-D135 PolarHBondContact OG-OD2 3.23Å
88V91Very high91.5Very high0 Ų043.2 Ų43.20%023%0.234CC..SBendtrans-66.4-41.5178.9179.90000110.4L13 A90 S91 Y121 F132 D135L13-V88 HydrophobicContact CD1-CB 4.44Å; L13-V88 HydrophobicContact CD1-CG2 3.77Å; L13-V88 HydrophobicContact CD2-CG2 4.35Å; V88-A90 VanDerWaalsContact C-N 3.27Å; V88-A90 PolarHBondContact O-N 3.34Å; V88-S91 WeakPolarHBondContact CA-OG 3.38Å; V88-S91 PolarHBondContact O-N 2.92Å; V88-S91 PolarHBondContact O-OG 2.78Å; V88-Y121 HydrophobicContact CG1-CD1 4.08Å; V88-Y121 HydrophobicContact CG1-CD2 3.97Å; V88-Y121 HydrophobicContact CG1-CG 3.64Å; V88-F132 HydrophobicContact CG1-CB 4.42Å; V88-F132 HydrophobicContact CG1-CD1 4.48Å; V88-F132 HydrophobicContact CG1-CD2 3.77Å; V88-F132 HydrophobicContact CG1-CE2 4.06Å; V88-F132 HydrophobicContact CG1-CG 3.99Å; V88-F132 HydrophobicContact CG2-CD1 3.89Å; V88-F132 HydrophobicContact CG2-CE1 4.08Å; V88-F132 HydrophobicContact CG2-CG 4.16Å; V88-D135 WeakPolarHBondContact CA-OD1 3.47Å; V88-D135 WeakPolarHBondContact CB-OD1 3.42Å; V88-D135 PolarHBondContact N-O 2.91Å; V88-D135 PolarHBondContact N-OD1 2.95Å
89A90Very high91.5Very high35 Ų3544.4 Ų44.429%0.28924%0.241SC..THydrogen-bonded Turntrans-59.1-37.9-177.100000113.4S87 K112 Y121 D135S87-A89 PolarHBondContact OG-N 3.37Å; A89-K112 PolarHBondContact O-NZ 3.12Å; A89-Y121 WeakPolarHBondContact CA-OH 3.35Å; A89-Y121 HydrophobicContact CB-CE2 4.34Å; A89-Y121 VanDerWaalsContact CB-OH 3.31Å; A89-Y121 WeakPolarHBondContact CB-OH 3.35Å; A89-D135 PolarHBondContact N-OD1 2.81Å
90A90.5Very high91.3Very high49 Ų4943.9 Ų43.941%0.40525%0.245SC..THydrogen-bonded Turntrans-85.7-6.2178.500000113.7T15 Q85 V88T15-A90 WeakPolarHBondContact CG2-O 3.39Å; Q85-A90 HydrophobicContact CG-CB 3.85Å; V88-A90 VanDerWaalsContact C-N 3.27Å; V88-A90 PolarHBondContact O-N 3.34Å
91S91.4Very high91.2Very high1 Ų149.9 Ų49.91%0.00728%0.277CS..  trans-91.7149.2178.270.60000111.7S87 V88 I110S87-S91 PolarHBondContact O-N 2.86Å; V88-S91 WeakPolarHBondContact CA-OG 3.38Å; V88-S91 PolarHBondContact O-N 2.92Å; V88-S91 PolarHBondContact O-OG 2.78Å; S91-I110 WeakPolarHBondContact OG-CD1 3.42Å
92E92.5Very high91Very high79 Ų7951.5 Ų51.537%0.36929%0.288SS..SBendtrans-112.5-27.9175.8-171.9-175.7179.700110.9F14 T15 I110F14-E92 PolarHBondContact O-N 3.03Å; F14-E92 VanDerWaalsContact O-N 3.08Å; T15-E92 HydrophobicContact CG2-CB 4.44Å; E92-I110 PolarHBondContact O-N 2.88Å
93Y94.4Very high90.7Very high63 Ų6353.5 Ų53.525%0.24731%0.31CS..EExtended strand (participates in β ladder)trans-130.1150.9-178.1-68.8-92.8000111.1F14 L16 I107 V108 K109F14-Y93 PolarHBondContact N-O 3.32Å; F14-Y93 PolarHBondContact O-N 3.39Å; L16-Y93 HydrophobicContact CD1-CD2 3.3Å; L16-Y93 HydrophobicContact CD1-CE2 2.93Å; L16-Y93 HydrophobicContact CD1-CG 4.27Å; L16-Y93 HydrophobicContact CG-CE2 4.4Å; Y93-I107 HydrophobicContact CD1-CG2 3.79Å; Y93-I107 HydrophobicContact CG-CG2 4.14Å; Y93-V108 CarbonylContact C-O 3.55Å; Y93-V108 WeakPolarHBondContact CA-O 3.48Å; Y93-K109 HydrophobicContact CD1-CB 4.16Å; Y93-K109 HydrophobicContact CE1-CB 3.92Å; Y93-K109 HydrophobicContact CE1-CG 4.21Å
94V94.4Very high90.6Very high0 Ų055.5 Ų55.50%032%0.315CS..EExtended strand (participates in β ladder)trans-123.5127.2177.665.50000109.2V11 E12 L13 V96 I107 V108 I110 F123V11-V94 HydrophobicContact CB-CG2 4.48Å; V11-V94 HydrophobicContact CG1-CG2 3.09Å; E12-V94 CarbonylContact O-C 3.59Å; E12-V94 WeakPolarHBondContact O-CA 3.32Å; L13-V94 HydrophobicContact CD2-CG2 4.24Å; V94-V96 HydrophobicContact CG1-CG2 4.32Å; V94-V96 HydrophobicContact CG2-CG2 4.33Å; V94-I107 CarbonylContact O-C 3.58Å; V94-I107 WeakPolarHBondContact O-CA 3.35Å; V94-V108 HydrophobicContact CG1-CB 3.9Å; V94-V108 WeakPolarHBondContact CG1-O 3.35Å; V94-V108 PolarHBondContact N-O 2.93Å; V94-V108 PolarHBondContact O-N 2.9Å; V94-I110 HydrophobicContact CB-CD1 4.11Å; V94-I110 HydrophobicContact CB-CG1 3.98Å; V94-I110 HydrophobicContact CG1-CG1 4.05Å; V94-F123 HydrophobicContact CG1-CB 3.88Å; V94-F123 HydrophobicContact CG1-CD1 4.41Å; V94-F123 HydrophobicContact CG1-CD2 4.01Å; V94-F123 HydrophobicContact CG1-CG 3.85Å
95K94.4Very high90.5Very high13 Ų1351 Ų516%0.05730%0.299CS..EExtended strand (participates in β ladder)trans-90.5118.4168.1179.3-166.8174.3-170.30107.1V11 E12 F14 E75 V97V11-K95 WeakPolarHBondContact CA-O 3.36Å; E12-K95 HydrophobicContact CB-CB 4.27Å; E12-K95 PolarHBondContact N-O 2.92Å; E12-K95 PolarHBondContact O-N 3.05Å; E12-K95 IonicContact OE2-NZ 3.76Å; F14-K95 HydrophobicContact CD2-CB 3.86Å; F14-K95 HydrophobicContact CE2-CB 3.52Å; F14-K95 HydrophobicContact CE2-CD 4.02Å; F14-K95 HydrophobicContact CE2-CG 4.38Å; E75-K95 IonicContact OE1-NZ 2.92Å; E75-K95 PolarHBondContact OE1-NZ 3.45Å; K95-V97 HydrophobicContact CD-CG2 4.47Å
96V93Very high90.4Very high0 Ų052.3 Ų52.30%031%0.306CS..EExtended strand (participates in β ladder)trans-99.9125.3175.8-174.50000108.1I8 V94 S105 M106 F123 F125I8-V96 HydrophobicContact CB-CG1 4.46Å; I8-V96 HydrophobicContact CD1-CG1 3.82Å; I8-V96 HydrophobicContact CG1-CG1 3.87Å; I8-V96 HydrophobicContact CG2-CG1 3.82Å; V94-V96 HydrophobicContact CG1-CG2 4.32Å; V94-V96 HydrophobicContact CG2-CG2 4.33Å; V96-S105 WeakPolarHBondContact O-CA 3.24Å; V96-M106 PolarHBondContact N-O 3.33Å; V96-M106 PolarHBondContact O-N 2.94Å; V96-F123 HydrophobicContact CG2-CD2 4.19Å; V96-F123 HydrophobicContact CG2-CE2 3.8Å; V96-F125 HydrophobicContact CB-CD2 3.87Å; V96-F125 HydrophobicContact CB-CE2 4.04Å; V96-F125 HydrophobicContact CB-CG 4.3Å; V96-F125 HydrophobicContact CG1-CD1 3.95Å; V96-F125 HydrophobicContact CG1-CD2 3.81Å; V96-F125 HydrophobicContact CG1-CE1 4.03Å; V96-F125 HydrophobicContact CG1-CE2 3.9Å; V96-F125 HydrophobicContact CG1-CG 3.84Å; V96-F125 HydrophobicContact CG1-CZ 4.01Å; V96-F125 HydrophobicContact CG2-CD2 4.22Å; V96-F125 HydrophobicContact CG2-CG 4.44Å
97V92.3Very high90.6Very high32 Ų3249.2 Ų49.219%0.19428%0.281CS..EExtended strand (participates in β ladder)trans-105.5109.6173.1-177.90000107.6A9 S10 K95A9-V97 PolarHBondContact N-O 2.92Å; S10-V97 PolarHBondContact N-O 3.21Å; S10-V97 PolarHBondContact O-N 3.25Å; K95-V97 HydrophobicContact CD-CG2 4.47Å
98P91.8Very high90.6Very high12 Ų1249 Ų498%0.07828%0.279CS..EExtended strand (participates in β ladder)trans-68.7162.4178.828-33.2000111.5D7 T102 F125D7-P98 VanDerWaalsContact O-CA 3.3Å; D7-P98 WeakPolarHBondContact O-CA 3.41Å; P98-T102 WeakPolarHBondContact CB-OG1 3.39Å; P98-F125 HydrophobicContact CB-CE1 4.43Å; P98-F125 HydrophobicContact CB-CZ 4.1Å; P98-F125 HydrophobicContact CG-CZ 4.46Å
99T90.3Very high90.8Very high32 Ų3254.7 Ų54.720%0.19630%0.304CS..PPolyproline II helixtrans-62.4158.8167.347.10000111.4A6 D7 A9 N101 T102A6-T99 WeakPolarHBondContact O-CB 3.38Å; A6-T99 VanDerWaalsContact O-CG2 3.23Å; A6-T99 WeakPolarHBondContact O-CG2 2.97Å; A6-T99 PolarHBondContact O-OG1 3.38Å; D7-T99 PolarHBondContact O-N 3.35Å; D7-T99 PolarHBondContact O-OG1 3.11Å; A9-T99 HydrophobicContact CB-CG2 4.09Å; T99-N101 PolarHBondContact O-N 2.8Å; T99-T102 PolarHBondContact N-OG1 2.98Å; T99-T102 PolarHBondContact O-N 2.94Å; T99-T102 PolarHBondContact O-OG1 3.44Å; T99-T102 WeakPolarHBondContact OG1-CG2 3.41Å; T99-T102 PolarHBondContact OG1-OG1 2.94Å
100P87.2Confident91Very high112 Ų11253.4 Ų53.473%0.72729%0.292SS*.THydrogen-bonded Turntrans-55.2132.8174.9-22.632.8000110.5
101N85.7Confident91.1Very high170 Ų17055.3 Ų55.391%0.90929%0.292SS*.THydrogen-bonded Turntrans77.5-1.6-178.7-47.2-43.1000117.6T99T99-N101 PolarHBondContact O-N 2.8Å
102T85.6Confident91.1Very high42 Ų4261 Ų6126%0.25832%0.317SS..SBendtrans-96.95.817848.90000114D7 P98 T99 Q126D7-T102 PolarHBondContact O-OG1 3.33Å; P98-T102 WeakPolarHBondContact CB-OG1 3.39Å; T99-T102 PolarHBondContact N-OG1 2.98Å; T99-T102 PolarHBondContact O-N 2.94Å; T99-T102 PolarHBondContact O-OG1 3.44Å; T99-T102 WeakPolarHBondContact OG1-CG2 3.41Å; T99-T102 PolarHBondContact OG1-OG1 2.94Å; T102-Q126 PolarHBondContact O-NE2 3.37Å
103G85.2Confident90.8Very high52 Ų5260.3 Ų60.354%0.53631%0.314SS..  trans132.8-149.717100000113.4
104Y86.9Confident90.3Very high166 Ų16665.4 Ų65.465%0.65134%0.34SS*.  trans-115.5154.2-176.855.3-88.8000111.8M106Y104-M106 HydrophobicContact CE2-CE 4.08Å
105S91Very high89.3Confident29 Ų2966.7 Ų66.720%0.20335%0.349CS..  trans-66.3137176.1-64.30000110.7V74 V96V74-S105 WeakPolarHBondContact CG2-O 3.5Å; V96-S105 WeakPolarHBondContact O-CA 3.24Å
106M90.3Very high88.1Confident84 Ų8474.8 Ų74.841%0.41439%0.386SS..EExtended strand (participates in β ladder)trans-137.7148-179.7-176.5177-105.600110.6V96 Y104 V108 F125V96-M106 PolarHBondContact N-O 3.33Å; V96-M106 PolarHBondContact O-N 2.94Å; Y104-M106 HydrophobicContact CE2-CE 4.08Å; M106-V108 HydrophobicContact CG-CG2 4.3Å; M106-V108 HydrophobicContact SD-CG2 4.48Å; M106-F125 HydrophobicContact CB-CE2 4.5Å
107I92.7Very high87.3Confident38 Ų3881 Ų8120%0.19543%0.43CS..EExtended strand (participates in β ladder)trans-95124170.1-59.3159.2000107.8V74 K77 C78 Y93 V94V74-I107 HydrophobicContact CG1-CD1 3.76Å; V74-I107 HydrophobicContact CG1-CG1 3.61Å; K77-I107 HydrophobicContact CD-CD1 4.15Å; C78-I107 WeakPolarHBondContact SG-CD1 3.22Å; Y93-I107 HydrophobicContact CD1-CG2 3.79Å; Y93-I107 HydrophobicContact CG-CG2 4.14Å; V94-I107 CarbonylContact O-C 3.58Å; V94-I107 WeakPolarHBondContact O-CA 3.35Å
108V92.7Very high86.8Confident21 Ų2186.5 Ų86.513%0.12745%0.453CS..EExtended strand (participates in β ladder)trans-117147179.9-1760000108.9Y93 V94 M106 F123 H124Y93-V108 CarbonylContact C-O 3.55Å; Y93-V108 WeakPolarHBondContact CA-O 3.48Å; V94-V108 HydrophobicContact CG1-CB 3.9Å; V94-V108 WeakPolarHBondContact CG1-O 3.35Å; V94-V108 PolarHBondContact N-O 2.93Å; V94-V108 PolarHBondContact O-N 2.9Å; M106-V108 HydrophobicContact CG-CG2 4.3Å; M106-V108 HydrophobicContact SD-CG2 4.48Å; V108-F123 HydrophobicContact CG1-CB 4.21Å; V108-H124 VanDerWaalsContact CG1-O 3.23Å; V108-H124 WeakPolarHBondContact CG1-O 3.37Å
109K94Very high86.6Confident119 Ų11989.1 Ų89.152%0.51747%0.469SS..EExtended strand (participates in β ladder)trans-78.6139.3173.9-171.4177.9-179179.70110.1Y93Y93-K109 HydrophobicContact CD1-CB 4.16Å; Y93-K109 HydrophobicContact CE1-CB 3.92Å; Y93-K109 HydrophobicContact CE1-CG 4.21Å
110I94.2Very high86.6Confident7 Ų790.4 Ų90.44%0.03647%0.474CS..PPolyproline II helixtrans-85.4127.5173.3-58.8169.5000108.6L13 S91 E92 V94 Y121L13-I110 HydrophobicContact CD2-CD1 4.25Å; S91-I110 WeakPolarHBondContact OG-CD1 3.42Å; E92-I110 PolarHBondContact O-N 2.88Å; V94-I110 HydrophobicContact CB-CD1 4.11Å; V94-I110 HydrophobicContact CB-CG1 3.98Å; V94-I110 HydrophobicContact CG1-CG1 4.05Å; I110-Y121 HydrophobicContact CG2-CD1 3.98Å; I110-Y121 HydrophobicContact CG2-CG 4.49Å
111E92.8Very high86.8Confident90 Ų9086.8 Ų86.842%0.42145%0.446SS..EExtended strand (participates in β ladder)trans-92.7135.6173-63.1-177.7-177.700109.9Y121 T122E111-Y121 WeakPolarHBondContact O-CA 3.39Å; E111-T122 PolarHBondContact N-O 2.78Å; E111-T122 PolarHBondContact O-N 2.61Å
112K91Very high87.2Confident119 Ų11978.7 Ų78.752%0.51740%0.403SS..EExtended strand (participates in β ladder)trans-108.5125.2178.3-53.6-171.9178.9-167.60108.2A89 Y121A89-K112 PolarHBondContact O-NZ 3.12Å; K112-Y121 HydrophobicContact CB-CE1 4.44Å; K112-Y121 HydrophobicContact CD-CD1 4.28Å; K112-Y121 HydrophobicContact CD-CE1 3.67Å; K112-Y121 HydrophobicContact CG-CD1 3.79Å; K112-Y121 HydrophobicContact CG-CE1 3.67Å
113Q86.2Confident87.5Confident65 Ų6576.7 Ų76.730%0.30439%0.391SS..EExtended strand (participates in β ladder)trans-123.4125.5176.6-63-173.8-0.300109.3I120Q113-I120 PolarHBondContact N-O 2.85Å; Q113-I120 PolarHBondContact O-N 2.71Å
114E84.8Confident87.8Confident170 Ų17078 Ų7879%0.79438%0.382SS*.EExtended strand (participates in β ladder)trans-93.5122175.5-64.9-175.7173.600109.7V119E114-V119 HydrophobicContact CG-CG2 4.27Å
115C72.9Confident88Confident28 Ų2870.3 Ų70.319%0.18935%0.352CS..EExtended strand (participates in β ladder)trans-131.5115.4179.7-152.60000110.2S117 E118 I120C115-S117 PolarHBondContact O-N 3.35Å; C115-E118 PolarHBondContact N-O 3.08Å; C115-E118 PolarHBondContact O-N 3.36Å; C115-I120 HydrophobicContact CB-CD1 4.34Å
116H70.4Confident87.8Confident182 Ų18273.6 Ų73.684%0.84337%0.365SS*.THydrogen-bonded Turntrans44.239.7171.2-71.9-98.2000115.6
117S76.2Confident87.5Confident131 Ų13177 Ų7792%0.91637%0.373SS*.THydrogen-bonded Turntrans88.90.2-179.4-33.80000116.9C115C115-S117 PolarHBondContact O-N 3.35Å
118E81.6Confident87.3Confident147 Ų14779.1 Ų79.169%0.68738%0.384SS*.EExtended strand (participates in β ladder)trans-110.2138.1171.3-66.8-171.2164.300111.2C115C115-E118 PolarHBondContact N-O 3.08Å; C115-E118 PolarHBondContact O-N 3.36Å
119V87.9Confident87.1Confident67 Ų6779.7 Ų79.741%0.40639%0.385SS..EExtended strand (participates in β ladder)trans-97.6117.8175.7-172.40000108.4E114 Y121E114-V119 HydrophobicContact CG-CG2 4.27Å; V119-Y121 HydrophobicContact CB-CE2 4.38Å; V119-Y121 HydrophobicContact CG1-CE1 4.19Å; V119-Y121 HydrophobicContact CG1-CE2 4.02Å
120I88.9Confident87Confident59 Ų5974.2 Ų74.230%0.30336%0.361SS..EExtended strand (participates in β ladder)trans-99.5126.9177.8-57.2175.2000108.2Q113 C115 T122 I131Q113-I120 PolarHBondContact N-O 2.85Å; Q113-I120 PolarHBondContact O-N 2.71Å; C115-I120 HydrophobicContact CB-CD1 4.34Å; I120-T122 HydrophobicContact CG2-CG2 4.39Å; I120-I131 HydrophobicContact CG2-CG2 3.66Å
121Y92.6Very high86.9Confident37 Ų3775 Ų7515%0.14537%0.365CS..EExtended strand (participates in β ladder)trans-100.2128.2173.9-60.4-85.1000109.5V88 A89 I110 E111 K112 V119 F132V88-Y121 HydrophobicContact CG1-CD1 4.08Å; V88-Y121 HydrophobicContact CG1-CD2 3.97Å; V88-Y121 HydrophobicContact CG1-CG 3.64Å; A89-Y121 WeakPolarHBondContact CA-OH 3.35Å; A89-Y121 HydrophobicContact CB-CE2 4.34Å; A89-Y121 VanDerWaalsContact CB-OH 3.31Å; A89-Y121 WeakPolarHBondContact CB-OH 3.35Å; I110-Y121 HydrophobicContact CG2-CD1 3.98Å; I110-Y121 HydrophobicContact CG2-CG 4.49Å; E111-Y121 WeakPolarHBondContact O-CA 3.39Å; K112-Y121 HydrophobicContact CB-CE1 4.44Å; K112-Y121 HydrophobicContact CD-CD1 4.28Å; K112-Y121 HydrophobicContact CD-CE1 3.67Å; K112-Y121 HydrophobicContact CG-CD1 3.79Å; K112-Y121 HydrophobicContact CG-CE1 3.67Å; V119-Y121 HydrophobicContact CB-CE2 4.38Å; V119-Y121 HydrophobicContact CG1-CE1 4.19Å; V119-Y121 HydrophobicContact CG1-CE2 4.02Å; Y121-F132 PolarHBondContact O-N 3.04Å
122T92.5Very high86.8Confident0 Ų071.2 Ų71.20%035%0.347CS..EExtended strand (participates in β ladder)trans-133.1147.8-176.623.30000111.2E111 I120 K129 Y130 I131E111-T122 PolarHBondContact N-O 2.78Å; E111-T122 PolarHBondContact O-N 2.61Å; I120-T122 HydrophobicContact CG2-CG2 4.39Å; T122-K129 HydrophobicContact CG2-CD 4.33Å; T122-K129 HydrophobicContact CG2-CG 4.11Å; T122-Y130 VanDerWaalsContact CA-O 3.28Å; T122-Y130 WeakPolarHBondContact CA-O 3.31Å; T122-Y130 WeakPolarHBondContact CG2-O 3.41Å; T122-I131 HydrophobicContact CG2-CB 4.19Å; T122-I131 HydrophobicContact CG2-CG1 3.6Å; T122-I131 HydrophobicContact CG2-CG2 4.38Å
123F93.8Very high86.6Confident0 Ų073.7 Ų73.70%035%0.353CS..EExtended strand (participates in β ladder)trans-141.6156.1170.467.7-84.8000110.1I8 V94 V96 V108 F125 Y130 F132 F140I8-F123 HydrophobicContact CD1-CE2 4.48Å; V94-F123 HydrophobicContact CG1-CB 3.88Å; V94-F123 HydrophobicContact CG1-CD1 4.41Å; V94-F123 HydrophobicContact CG1-CD2 4.01Å; V94-F123 HydrophobicContact CG1-CG 3.85Å; V96-F123 HydrophobicContact CG2-CD2 4.19Å; V96-F123 HydrophobicContact CG2-CE2 3.8Å; V108-F123 HydrophobicContact CG1-CB 4.21Å; F123-F125 HydrophobicContact CD2-CB 4.36Å; F123-F125 HydrophobicContact CE2-CB 4.2Å; F123-Y130 HydrophobicContact CD2-CD2 4.4Å; F123-Y130 VanDerWaalsContact CE1-CB 3.41Å; F123-Y130 HydrophobicContact CE1-CG 4.31Å; F123-Y130 AromaticContact CE2-CD2 3.82Å; F123-Y130 HydrophobicContact CE2-CD2 3.82Å; F123-Y130 AromaticContact CE2-CG 3.84Å; F123-Y130 HydrophobicContact CE2-CG 3.84Å; F123-Y130 HydrophobicContact CZ-CD1 4.33Å; F123-Y130 HydrophobicContact CZ-CD2 4.17Å; F123-Y130 AromaticContact CZ-CG 3.7Å; F123-Y130 HydrophobicContact CZ-CG 3.7Å; F123-Y130 PolarHBondContact N-O 3.24Å; F123-Y130 PolarHBondContact O-N 2.84Å; F123-F132 HydrophobicContact CD1-CD2 4.14Å; F123-F132 AromaticContact CD1-CE2 3.35Å; F123-F132 HydrophobicContact CD1-CE2 3.35Å; F123-F132 AromaticContact CD1-CZ 3.76Å; F123-F132 HydrophobicContact CD1-CZ 3.76Å; F123-F132 HydrophobicContact CE1-CD2 4.3Å; F123-F132 HydrophobicContact CE1-CE1 4.23Å; F123-F132 AromaticContact CE1-CE2 3.53Å; F123-F132 HydrophobicContact CE1-CE2 3.53Å; F123-F132 AromaticContact CE1-CZ 3.47Å; F123-F132 HydrophobicContact CE1-CZ 3.47Å; F123-F132 VanDerWaalsContact CE1-CZ 3.47Å; F123-F140 HydrophobicContact CE1-CB 4.17Å; F123-F140 HydrophobicContact CZ-CB 4.46Å; F123-F140 HydrophobicContact CZ-CD2 4.44Å
124H90.8Very high86.6Confident78 Ų7874.2 Ų74.236%0.36136%0.361SS..EExtended strand (participates in β ladder)trans-112.1118.2-179.8-71.8-91.3000110.3V108 L128V108-H124 VanDerWaalsContact CG1-O 3.23Å; V108-H124 WeakPolarHBondContact CG1-O 3.37Å; H124-L128 CarbonylContact C-O 3.59Å; H124-L128 WeakPolarHBondContact CA-O 3.05Å
125F90.3Very high86.7Confident5 Ų569.2 Ų69.22%0.02234%0.34CS..EExtended strand (participates in β ladder)trans-121.1125.2174.3-179-110.5000109.1I8 V96 P98 M106 F123 R127 L128 Y130I8-F125 HydrophobicContact CD1-CD1 4.11Å; I8-F125 HydrophobicContact CG1-CD1 4.11Å; I8-F125 HydrophobicContact CG1-CE1 4.3Å; V96-F125 HydrophobicContact CB-CD2 3.87Å; V96-F125 HydrophobicContact CB-CE2 4.04Å; V96-F125 HydrophobicContact CB-CG 4.3Å; V96-F125 HydrophobicContact CG1-CD1 3.95Å; V96-F125 HydrophobicContact CG1-CD2 3.81Å; V96-F125 HydrophobicContact CG1-CE1 4.03Å; V96-F125 HydrophobicContact CG1-CE2 3.9Å; V96-F125 HydrophobicContact CG1-CG 3.84Å; V96-F125 HydrophobicContact CG1-CZ 4.01Å; V96-F125 HydrophobicContact CG2-CD2 4.22Å; V96-F125 HydrophobicContact CG2-CG 4.44Å; P98-F125 HydrophobicContact CB-CE1 4.43Å; P98-F125 HydrophobicContact CB-CZ 4.1Å; P98-F125 HydrophobicContact CG-CZ 4.46Å; M106-F125 HydrophobicContact CB-CE2 4.5Å; F123-F125 HydrophobicContact CD2-CB 4.36Å; F123-F125 HydrophobicContact CE2-CB 4.2Å; F125-R127 PolarHBondContact O-N 3.36Å; F125-R127 VanDerWaalsContact O-N 3.17Å; F125-L128 PolarHBondContact N-O 2.98Å; F125-L128 WeakPolarHBondContact O-CB 3.44Å; F125-L128 PolarHBondContact O-N 3.47Å; F125-Y130 HydrophobicContact CB-CD2 4.19Å; F125-Y130 HydrophobicContact CB-CE2 4Å
126Q87.7Confident87.4Confident98 Ų9872.7 Ų72.746%0.45836%0.357SS..THydrogen-bonded Turntrans50.640.6-179-60.7-177.9-13.300113.9T102 L128T102-Q126 PolarHBondContact O-NE2 3.37Å; Q126-L128 PolarHBondContact O-N 3.24Å
127R84.6Confident88.1Confident157 Ų15768.4 Ų68.459%0.59234%0.336SS*.THydrogen-bonded Turntrans682.9-176.1-52.7169.9170.6-105-11.1115.4F125 H179F125-R127 PolarHBondContact O-N 3.36Å; F125-R127 VanDerWaalsContact O-N 3.17Å; R127-H179 PolarHBondContact NH1-O 3.39Å; R127-H179 PolarHBondContact NH2-O 3.45Å
128L87.8Confident88.5Confident81 Ų8166.2 Ų66.242%0.42431%0.314SS..EExtended strand (participates in β ladder)trans-92.8134.4170.7-64.1174000110.1H124 F125 Q126 Y130H124-L128 CarbonylContact C-O 3.59Å; H124-L128 WeakPolarHBondContact CA-O 3.05Å; F125-L128 PolarHBondContact N-O 2.98Å; F125-L128 WeakPolarHBondContact O-CB 3.44Å; F125-L128 PolarHBondContact O-N 3.47Å; Q126-L128 PolarHBondContact O-N 3.24Å; L128-Y130 HydrophobicContact CB-CD2 4.4Å; L128-Y130 HydrophobicContact CB-CE2 3.72Å; L128-Y130 WeakPolarHBondContact O-CD2 3.23Å
129K89.1Confident88.8Confident34 Ų3460.4 Ų60.415%0.14829%0.289CS..EExtended strand (participates in β ladder)trans-86.5127.6175.4-175.5175.7177.7175.90109.2T122 T143 R171T122-K129 HydrophobicContact CG2-CD 4.33Å; T122-K129 HydrophobicContact CG2-CG 4.11Å; K129-T143 PolarHBondContact O-N 3.1Å; K129-T143 VanDerWaalsContact O-N 3.1Å; K129-T143 PolarHBondContact O-OG1 2.69Å; K129-R171 PolarHBondContact NZ-O 2.97Å
130Y91.7Very high88.9Confident3 Ų358.8 Ų58.81%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-115.3139.7174.6-70.4-92.6000109.8I8 T122 F123 F125 L128 F140 H141 P142I8-Y130 HydrophobicContact CD1-CD1 4.11Å; I8-Y130 HydrophobicContact CD1-CD2 4.29Å; I8-Y130 HydrophobicContact CD1-CE1 3.58Å; I8-Y130 HydrophobicContact CD1-CE2 3.79Å; I8-Y130 HydrophobicContact CD1-CG 4.44Å; I8-Y130 VanDerWaalsContact CD1-CZ 3.4Å; T122-Y130 VanDerWaalsContact CA-O 3.28Å; T122-Y130 WeakPolarHBondContact CA-O 3.31Å; T122-Y130 WeakPolarHBondContact CG2-O 3.41Å; F123-Y130 HydrophobicContact CD2-CD2 4.4Å; F123-Y130 VanDerWaalsContact CE1-CB 3.41Å; F123-Y130 HydrophobicContact CE1-CG 4.31Å; F123-Y130 AromaticContact CE2-CD2 3.82Å; F123-Y130 HydrophobicContact CE2-CD2 3.82Å; F123-Y130 AromaticContact CE2-CG 3.84Å; F123-Y130 HydrophobicContact CE2-CG 3.84Å; F123-Y130 HydrophobicContact CZ-CD1 4.33Å; F123-Y130 HydrophobicContact CZ-CD2 4.17Å; F123-Y130 AromaticContact CZ-CG 3.7Å; F123-Y130 HydrophobicContact CZ-CG 3.7Å; F123-Y130 PolarHBondContact N-O 3.24Å; F123-Y130 PolarHBondContact O-N 2.84Å; F125-Y130 HydrophobicContact CB-CD2 4.19Å; F125-Y130 HydrophobicContact CB-CE2 4Å; L128-Y130 HydrophobicContact CB-CD2 4.4Å; L128-Y130 HydrophobicContact CB-CE2 3.72Å; L128-Y130 WeakPolarHBondContact O-CD2 3.23Å; Y130-F140 AromaticContact CD1-CD2 4Å; Y130-F140 HydrophobicContact CD1-CD2 4Å; Y130-F140 HydrophobicContact CE1-CD2 4.48Å; Y130-H141 WeakPolarHBondContact CA-O 3.41Å; Y130-P142 HydrophobicContact CD1-CB 4.18Å; Y130-P142 HydrophobicContact CE1-CB 3.93Å
131I91.3Very high88.9Confident24 Ų2457.9 Ų57.912%0.12327%0.271CS..EExtended strand (participates in β ladder)trans-119.3132.1-176.2-54168.7000108.6I120 T122 F140 H141I120-I131 HydrophobicContact CG2-CG2 3.66Å; T122-I131 HydrophobicContact CG2-CB 4.19Å; T122-I131 HydrophobicContact CG2-CG1 3.6Å; T122-I131 HydrophobicContact CG2-CG2 4.38Å; I131-F140 WeakPolarHBondContact O-CA 3.48Å; I131-H141 PolarHBondContact N-O 3.05Å; I131-H141 PolarHBondContact O-CE1 3.32Å; I131-H141 PolarHBondContact O-N 3.03Å; I131-H141 PolarHBondContact O-ND1 3.33Å
132F91Very high88.8Confident11 Ų1158 Ų585%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-83.7125.2169-68.2-79.2000110.1L13 V88 Y121 F123 F140L13-F132 HydrophobicContact CD2-CZ 4.33Å; V88-F132 HydrophobicContact CG1-CB 4.42Å; V88-F132 HydrophobicContact CG1-CD1 4.48Å; V88-F132 HydrophobicContact CG1-CD2 3.77Å; V88-F132 HydrophobicContact CG1-CE2 4.06Å; V88-F132 HydrophobicContact CG1-CG 3.99Å; V88-F132 HydrophobicContact CG2-CD1 3.89Å; V88-F132 HydrophobicContact CG2-CE1 4.08Å; V88-F132 HydrophobicContact CG2-CG 4.16Å; Y121-F132 PolarHBondContact O-N 3.04Å; F123-F132 HydrophobicContact CD1-CD2 4.14Å; F123-F132 AromaticContact CD1-CE2 3.35Å; F123-F132 HydrophobicContact CD1-CE2 3.35Å; F123-F132 AromaticContact CD1-CZ 3.76Å; F123-F132 HydrophobicContact CD1-CZ 3.76Å; F123-F132 HydrophobicContact CE1-CD2 4.3Å; F123-F132 HydrophobicContact CE1-CE1 4.23Å; F123-F132 AromaticContact CE1-CE2 3.53Å; F123-F132 HydrophobicContact CE1-CE2 3.53Å; F123-F132 AromaticContact CE1-CZ 3.47Å; F123-F132 HydrophobicContact CE1-CZ 3.47Å; F123-F132 VanDerWaalsContact CE1-CZ 3.47Å; F132-F140 HydrophobicContact CD1-CB 3.86Å; F132-F140 HydrophobicContact CE1-CB 3.79Å; F132-F140 HydrophobicContact CE1-CD1 4.46Å; F132-F140 HydrophobicContact CZ-CB 4.5Å
133R86.2Confident88.5Confident170 Ų17058.6 Ų58.664%0.64228%0.28SS*.SBendtrans-83-29.5177.1-171.5173.9-67.2-178.71.9112.1S139 H141 E144R133-S139 PolarHBondContact N-O 2.92Å; R133-H141 PolarHBondContact NH2-NE2 3.08Å; R133-E144 IonicContact NH2-OE1 3.78Å
134T86.7Confident88Confident76 Ų7664.1 Ų64.147%0.46631%0.306SS..SBendtrans-137.4169.9-177.5-51.30000108.9D136 S139T134-D136 PolarHBondContact O-N 3.19Å; T134-D136 VanDerWaalsContact O-N 3.08Å; T134-S139 WeakPolarHBondContact CA-OG 3.47Å; T134-S139 WeakPolarHBondContact CB-OG 3.11Å; T134-S139 PolarHBondContact N-OG 3.23Å; T134-S139 PolarHBondContact O-OG 3.5Å
135D86.7Confident87.6Confident66 Ų6664.9 Ų64.935%0.35331%0.308SS..SBendtrans-72.26.3176.3-161.928.6000113.6S87 V88 A89S87-D135 WeakPolarHBondContact CB-OD2 3.49Å; S87-D135 PolarHBondContact OG-OD1 3.28Å; S87-D135 PolarHBondContact OG-OD2 3.23Å; V88-D135 WeakPolarHBondContact CA-OD1 3.47Å; V88-D135 WeakPolarHBondContact CB-OD1 3.42Å; V88-D135 PolarHBondContact N-O 2.91Å; V88-D135 PolarHBondContact N-OD1 2.95Å; A89-D135 PolarHBondContact N-OD1 2.81Å
136D87.7Confident87.1Confident101 Ų10165.6 Ų65.654%0.5431%0.314SS..BIsolated β-bridgetrans-88.7136.2177.8-67.7-36.3000111.3T134 D138 S139T134-D136 PolarHBondContact O-N 3.19Å; T134-D136 VanDerWaalsContact O-N 3.08Å; D136-D138 PolarHBondContact O-N 3.17Å; D136-D138 VanDerWaalsContact O-N 3.11Å; D136-S139 WeakPolarHBondContact O-CB 3.34Å; D136-S139 PolarHBondContact O-N 2.89Å; D136-S139 VanDerWaalsContact O-N 3.1Å; D136-S139 PolarHBondContact O-OG 3.02Å
137K84.6Confident86.7Confident92 Ų9265.3 Ų65.340%0.432%0.318SS..THydrogen-bonded Turntrans-55.9-28.417966.7173.5-170.5170.70114.7L13 F140L13-K137 HydrophobicContact CD1-CB 3.72Å; L13-K137 HydrophobicContact CG-CB 4.01Å; K137-F140 WeakPolarHBondContact O-CD1 3.34Å
138D85.1Confident86.5Confident85 Ų8565.4 Ų65.446%0.45533%0.331SS..THydrogen-bonded Turntrans-95.71.4-174.2-59.7-39.6000111.9D136 F140D136-D138 PolarHBondContact O-N 3.17Å; D136-D138 VanDerWaalsContact O-N 3.11Å; D138-F140 VanDerWaalsContact C-N 3.31Å; D138-F140 PolarHBondContact O-N 3.26Å
139S87.6Confident86.1Confident25 Ų2566.6 Ų66.618%0.17533%0.329CS..  trans-94.330.5-177.172.80000113.5R133 T134 D136R133-S139 PolarHBondContact N-O 2.92Å; T134-S139 WeakPolarHBondContact CA-OG 3.47Å; T134-S139 WeakPolarHBondContact CB-OG 3.11Å; T134-S139 PolarHBondContact N-OG 3.23Å; T134-S139 PolarHBondContact O-OG 3.5Å; D136-S139 WeakPolarHBondContact O-CB 3.34Å; D136-S139 PolarHBondContact O-N 2.89Å; D136-S139 VanDerWaalsContact O-N 3.1Å; D136-S139 PolarHBondContact O-OG 3.02Å
140F89.9Confident85.9Confident33 Ų3368.7 Ų68.715%0.14535%0.348CS..EExtended strand (participates in β ladder)trans-89.9150.9175.567.1-86.7000111.3I8 V11 F123 Y130 I131 F132 K137 D138I8-F140 HydrophobicContact CB-CE2 4.13Å; I8-F140 HydrophobicContact CB-CZ 4.34Å; I8-F140 HydrophobicContact CD1-CE2 4.09Å; I8-F140 HydrophobicContact CG2-CE2 4.01Å; I8-F140 HydrophobicContact CG2-CZ 3.82Å; V11-F140 HydrophobicContact CB-CD1 4.35Å; V11-F140 HydrophobicContact CB-CE1 3.96Å; V11-F140 HydrophobicContact CG2-CD1 3.89Å; V11-F140 HydrophobicContact CG2-CE1 3.4Å; V11-F140 HydrophobicContact CG2-CE2 4.25Å; V11-F140 HydrophobicContact CG2-CZ 3.61Å; F123-F140 HydrophobicContact CE1-CB 4.17Å; F123-F140 HydrophobicContact CZ-CB 4.46Å; F123-F140 HydrophobicContact CZ-CD2 4.44Å; Y130-F140 AromaticContact CD1-CD2 4Å; Y130-F140 HydrophobicContact CD1-CD2 4Å; Y130-F140 HydrophobicContact CE1-CD2 4.48Å; I131-F140 WeakPolarHBondContact O-CA 3.48Å; F132-F140 HydrophobicContact CD1-CB 3.86Å; F132-F140 HydrophobicContact CE1-CB 3.79Å; F132-F140 HydrophobicContact CE1-CD1 4.46Å; F132-F140 HydrophobicContact CZ-CB 4.5Å; K137-F140 WeakPolarHBondContact O-CD1 3.34Å; D138-F140 VanDerWaalsContact C-N 3.31Å; D138-F140 PolarHBondContact O-N 3.26Å
141H89.5Confident85.3Confident39 Ų3974.4 Ų74.418%0.18138%0.376CS..EExtended strand (participates in β ladder)trans-150.8152.9174.359.6-59.6000109.1Y130 I131 R133 E144Y130-H141 WeakPolarHBondContact CA-O 3.41Å; I131-H141 PolarHBondContact N-O 3.05Å; I131-H141 PolarHBondContact O-CE1 3.32Å; I131-H141 PolarHBondContact O-N 3.03Å; I131-H141 PolarHBondContact O-ND1 3.33Å; R133-H141 PolarHBondContact NH2-NE2 3.08Å; H141-E144 IonicContact CD2-OE1 3.05Å
142P89.4Confident84.9Confident40 Ų4081.7 Ų81.726%0.2641%0.407SS..EExtended strand (participates in β ladder)trans-71.8159.117529.5-24.4000108.7D5 Y130 E144D5-P142 VanDerWaalsContact OD2-CD 3.29Å; D5-P142 WeakPolarHBondContact OD2-CD 3.35Å; Y130-P142 HydrophobicContact CD1-CB 4.18Å; Y130-P142 HydrophobicContact CE1-CB 3.93Å; P142-E144 PolarHBondContact O-N 2.96Å
143T86.5Confident84.4Confident13 Ų1383.1 Ų83.18%0.0842%0.421CS..  trans-59111.3173.3-590000110K129 F145 K172 Y173K129-T143 PolarHBondContact O-N 3.1Å; K129-T143 VanDerWaalsContact O-N 3.1Å; K129-T143 PolarHBondContact O-OG1 2.69Å; T143-F145 HydrophobicContact CG2-CZ 4.48Å; T143-F145 VanDerWaalsContact O-CD2 3.27Å; T143-F145 WeakPolarHBondContact O-CD2 3.37Å; T143-F145 WeakPolarHBondContact O-CE2 3.25Å; T143-F145 PolarHBondContact O-N 3.4Å; T143-K172 HydrophobicContact CG2-CG 4.14Å; T143-Y173 HydrophobicContact CG2-CD1 3.72Å; T143-Y173 HydrophobicContact CG2-CE1 4Å
144E83.7Confident84.1Confident115 Ų11578.2 Ų78.254%0.53740%0.403SS..  trans-72.6121.5177.5-68.4173.7-164.600110.4R133 H141 P142 Y173R133-E144 IonicContact NH2-OE1 3.78Å; H141-E144 IonicContact CD2-OE1 3.05Å; P142-E144 PolarHBondContact O-N 2.96Å; E144-Y173 WeakPolarHBondContact O-CE1 3.42Å
145F82.8Confident83.8Confident95 Ų9579.3 Ų79.342%0.41741%0.406SS..  trans-93.9136172.8-63.3-83.8000109.8T143 V147 Y173 F270T143-F145 HydrophobicContact CG2-CZ 4.48Å; T143-F145 VanDerWaalsContact O-CD2 3.27Å; T143-F145 WeakPolarHBondContact O-CD2 3.37Å; T143-F145 WeakPolarHBondContact O-CE2 3.25Å; T143-F145 PolarHBondContact O-N 3.4Å; F145-V147 VanDerWaalsContact C-N 3.3Å; F145-V147 HydrophobicContact CB-CG2 3.87Å; F145-V147 WeakPolarHBondContact O-CG2 3.15Å; F145-V147 PolarHBondContact O-N 2.94Å; F145-Y173 AromaticContact CD1-CD1 3.52Å; F145-Y173 HydrophobicContact CD1-CD1 3.52Å; F145-Y173 AromaticContact CD1-CE1 3.74Å; F145-Y173 HydrophobicContact CD1-CE1 3.74Å; F145-Y173 HydrophobicContact CD1-CG 4.46Å; F145-Y173 AromaticContact CE1-CD1 3.39Å; F145-Y173 HydrophobicContact CE1-CD1 3.39Å; F145-Y173 HydrophobicContact CE1-CE1 4.09Å; F145-Y173 HydrophobicContact CE1-CG 4.16Å; F145-Y173 HydrophobicContact CG-CE1 4.47Å; F145-Y173 HydrophobicContact CZ-CD1 4.3Å; F145-F270 HydrophobicContact CB-CE1 4.17Å; F145-F270 HydrophobicContact CB-CE2 4.13Å; F145-F270 HydrophobicContact CB-CZ 3.87Å; F145-F270 HydrophobicContact CD1-CB 4.29Å; F145-F270 HydrophobicContact CD1-CD1 4.19Å; F145-F270 AromaticContact CD1-CD2 3.48Å; F145-F270 HydrophobicContact CD1-CD2 3.48Å; F145-F270 VanDerWaalsContact CD1-CD2 3.48Å; F145-F270 HydrophobicContact CD1-CE1 4.42Å; F145-F270 AromaticContact CD1-CE2 3.72Å; F145-F270 HydrophobicContact CD1-CE2 3.72Å; F145-F270 AromaticContact CD1-CG 3.73Å; F145-F270 HydrophobicContact CD1-CG 3.73Å; F145-F270 HydrophobicContact CD1-CZ 4.19Å; F145-F270 HydrophobicContact CE1-CD2 4.01Å; F145-F270 HydrophobicContact CE1-CG 4.34Å; F145-F270 HydrophobicContact CG-CD2 4.4Å; F145-F270 HydrophobicContact CG-CE2 4.22Å; F145-F270 HydrophobicContact CG-CZ 4.44Å
146P80.3Confident83.5Confident20 Ų2078.8 Ų78.813%0.1342%0.416CS..  trans-7484.5174.625-28.6000110.4W149 Y154 Y173 F270P146-W149 HydrophobicContact CB-CD2 3.82Å; P146-W149 HydrophobicContact CB-CE3 4.47Å; P146-W149 HydrophobicContact CB-CG 4.23Å; P146-W149 HydrophobicContact CB-CH2 4.19Å; P146-W149 HydrophobicContact CB-CZ2 3.48Å; P146-W149 VanDerWaalsContact CB-CZ2 3.48Å; P146-W149 VanDerWaalsContact CB-NE1 3.33Å; P146-W149 HydrophobicContact CG-CH2 4.29Å; P146-W149 HydrophobicContact CG-CZ2 3.92Å; P146-Y154 VanDerWaalsContact C-OH 3.3Å; P146-Y154 PolarHBondContact O-OH 3.49Å; P146-Y173 WeakPolarHBondContact CD-OH 3.48Å; P146-F270 VanDerWaalsContact CD-CE1 3.42Å; P146-F270 HydrophobicContact CG-CD1 3.92Å; P146-F270 HydrophobicContact CG-CE1 3.65Å
147V77.8Confident83.1Confident92 Ų9278 Ų7856%0.55841%0.405SS*.  trans-102-20.8175.2-1520000112.1F145 Y154F145-V147 VanDerWaalsContact C-N 3.3Å; F145-V147 HydrophobicContact CB-CG2 3.87Å; F145-V147 WeakPolarHBondContact O-CG2 3.15Å; F145-V147 PolarHBondContact O-N 2.94Å; V147-Y154 WeakPolarHBondContact CA-OH 3.19Å; V147-Y154 PolarHBondContact O-OH 3.22Å
148D81.2Confident82.6Confident159 Ų15979.8 Ų79.885%0.8541%0.413SS*.SBendtrans-10320.8-174-58.6-42.2000113.5
149W80.1Confident82.1Confident106 Ų10676.1 Ų76.140%0.40240%0.395SS..  trans-67.4149.5175.7-70.7-5.7000111.3P146 A153 Y154 W157P146-W149 HydrophobicContact CB-CD2 3.82Å; P146-W149 HydrophobicContact CB-CE3 4.47Å; P146-W149 HydrophobicContact CB-CG 4.23Å; P146-W149 HydrophobicContact CB-CH2 4.19Å; P146-W149 HydrophobicContact CB-CZ2 3.48Å; P146-W149 VanDerWaalsContact CB-CZ2 3.48Å; P146-W149 VanDerWaalsContact CB-NE1 3.33Å; P146-W149 HydrophobicContact CG-CH2 4.29Å; P146-W149 HydrophobicContact CG-CZ2 3.92Å; W149-A153 HydrophobicContact CB-CB 4.22Å; W149-Y154 HydrophobicContact CB-CD2 4.03Å; W149-Y154 HydrophobicContact CB-CE1 4.14Å; W149-Y154 HydrophobicContact CB-CE2 3.56Å; W149-Y154 HydrophobicContact CD2-CE1 4.44Å; W149-Y154 HydrophobicContact CE3-CD1 4.16Å; W149-Y154 AromaticContact CE3-CE1 3.93Å; W149-Y154 HydrophobicContact CE3-CE1 3.93Å; W149-Y154 PolarHBondContact N-OH 3.07Å; W149-Y154 WeakPolarHBondContact O-CD2 3.48Å; W149-Y154 WeakPolarHBondContact O-CE2 3.33Å; W149-W157 HydrophobicContact CH2-CE3 4.29Å; W149-W157 HydrophobicContact CH2-CZ3 4.19Å; W149-W157 HydrophobicContact CZ3-CD2 4.18Å; W149-W157 AromaticContact CZ3-CE3 3.98Å; W149-W157 HydrophobicContact CZ3-CE3 3.98Å; W149-W157 HydrophobicContact CZ3-CZ3 4.35Å
150S84.2Confident81.6Confident77 Ų7776.9 Ų76.954%0.53840%0.395SS..  trans-59.6145.717373.30000110.7K152 A153 Y154S150-K152 PolarHBondContact O-N 2.94Å; S150-A153 WeakPolarHBondContact O-CA 3.35Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 2.91Å; S150-A153 PolarHBondContact OG-N 3.38Å; S150-Y154 PolarHBondContact O-N 3.5Å
151M79.3Confident80.8Confident123 Ų12381.5 Ų81.561%0.60642%0.417SS*.Hα-helixtrans-56-32.2-178.3-162.6133.3-150.900113Y154 L155 M289M151-Y154 PolarHBondContact O-N 3.26Å; M151-L155 HydrophobicContact CG-CD1 4.16Å; M151-L155 WeakPolarHBondContact O-CB 3.46Å; M151-L155 WeakPolarHBondContact O-CD1 3.38Å; M151-L155 WeakPolarHBondContact O-CG 3.36Å; M151-L155 PolarHBondContact O-N 3.18Å; M151-M289 HydrophobicContact CE-SD 4.47Å
152K83.3Confident80.3Confident178 Ų17882.5 Ų82.577%0.77443%0.426SS*.Hα-helixtrans-65.2-37.6175-169.1178.7-178.5-178.40112.7S150 L155 G156S150-K152 PolarHBondContact O-N 2.94Å; K152-L155 PolarHBondContact O-N 3.42Å; K152-G156 PolarHBondContact O-N 2.82Å
153A80.9Confident79.8Confident41 Ų4185.3 Ų85.334%0.33944%0.442SS..Hα-helixtrans-67.4-41.3176.200000111W149 S150 G156 W157W149-A153 HydrophobicContact CB-CB 4.22Å; S150-A153 WeakPolarHBondContact O-CA 3.35Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 2.91Å; S150-A153 PolarHBondContact OG-N 3.38Å; A153-G156 PolarHBondContact O-N 3Å; A153-W157 PolarHBondContact O-N 2.97Å; A153-W157 VanDerWaalsContact O-N 3.14Å
154Y79.6Confident79.6Confident67 Ų6790.6 Ų90.626%0.26347%0.47SS..Hα-helixtrans-62.8-44.8172.7-74.1-60.4000112.7P146 V147 W149 S150 M151 G156 W157P146-Y154 VanDerWaalsContact C-OH 3.3Å; P146-Y154 PolarHBondContact O-OH 3.49Å; V147-Y154 WeakPolarHBondContact CA-OH 3.19Å; V147-Y154 PolarHBondContact O-OH 3.22Å; W149-Y154 HydrophobicContact CB-CD2 4.03Å; W149-Y154 HydrophobicContact CB-CE1 4.14Å; W149-Y154 HydrophobicContact CB-CE2 3.56Å; W149-Y154 HydrophobicContact CD2-CE1 4.44Å; W149-Y154 HydrophobicContact CE3-CD1 4.16Å; W149-Y154 AromaticContact CE3-CE1 3.93Å; W149-Y154 HydrophobicContact CE3-CE1 3.93Å; W149-Y154 PolarHBondContact N-OH 3.07Å; W149-Y154 WeakPolarHBondContact O-CD2 3.48Å; W149-Y154 WeakPolarHBondContact O-CE2 3.33Å; S150-Y154 PolarHBondContact O-N 3.5Å; M151-Y154 PolarHBondContact O-N 3.26Å; Y154-G156 VanDerWaalsContact C-N 3.27Å; Y154-G156 PolarHBondContact O-N 3.43Å; Y154-W157 WeakPolarHBondContact O-CB 3.44Å; Y154-W157 PolarHBondContact O-N 3.41Å
155L80.4Confident79.5Confident99 Ų9989.7 Ų89.752%0.51847%0.465SS..Hα-helixtrans-61.9-33177.3-82.7155.3000113.2M151 K152 N291M151-L155 HydrophobicContact CG-CD1 4.16Å; M151-L155 WeakPolarHBondContact O-CB 3.46Å; M151-L155 WeakPolarHBondContact O-CD1 3.38Å; M151-L155 WeakPolarHBondContact O-CG 3.36Å; M151-L155 PolarHBondContact O-N 3.18Å; K152-L155 PolarHBondContact O-N 3.42Å; L155-N291 WeakPolarHBondContact CD2-ND2 3.3Å
156G80.7Confident79.1Confident55 Ų5587.9 Ų87.957%0.56746%0.458SS*.Hα-helixtrans-85.3-8.6178.700000114.5K152 A153 Y154K152-G156 PolarHBondContact O-N 2.82Å; A153-G156 PolarHBondContact O-N 3Å; Y154-G156 VanDerWaalsContact C-N 3.27Å; Y154-G156 PolarHBondContact O-N 3.43Å
157W78.3Confident79.1Confident85 Ų8590.1 Ų90.132%0.32247%0.468SS..  trans-75.2126.8-177-174.3-105.9000111.1W149 A153 Y154 Y160 A271W149-W157 HydrophobicContact CH2-CE3 4.29Å; W149-W157 HydrophobicContact CH2-CZ3 4.19Å; W149-W157 HydrophobicContact CZ3-CD2 4.18Å; W149-W157 AromaticContact CZ3-CE3 3.98Å; W149-W157 HydrophobicContact CZ3-CE3 3.98Å; W149-W157 HydrophobicContact CZ3-CZ3 4.35Å; A153-W157 PolarHBondContact O-N 2.97Å; A153-W157 VanDerWaalsContact O-N 3.14Å; Y154-W157 WeakPolarHBondContact O-CB 3.44Å; Y154-W157 PolarHBondContact O-N 3.41Å; W157-Y160 HydrophobicContact CH2-CD1 4.42Å; W157-Y160 HydrophobicContact CH2-CE1 4.29Å; W157-Y160 HydrophobicContact CZ2-CD1 4.22Å; W157-Y160 HydrophobicContact CZ2-CE1 4.06Å; W157-A271 HydrophobicContact CZ2-CB 4.27Å; W157-A271 PolarHBondContact NE1-O 3.33Å
158K74Confident79.3Confident128 Ų12891.2 Ų91.256%0.55747%0.467SS*.  trans-112.911.3-176.8-69176.6174.2-178.80113.7Y257K158-Y257 HydrophobicContact CB-CD2 3.42Å; K158-Y257 VanDerWaalsContact CB-CD2 3.42Å; K158-Y257 HydrophobicContact CB-CE2 3.53Å; K158-Y257 HydrophobicContact CD-CD2 3.95Å; K158-Y257 HydrophobicContact CD-CE2 3.23Å; K158-Y257 HydrophobicContact CG-CD2 4.37Å; K158-Y257 HydrophobicContact CG-CE2 4.05Å; K158-Y257 PolarHBondContact NZ-OH 3.02Å
159G75.1Confident79.3Confident8 Ų883.9 Ų83.98%0.08243%0.429CS..  trans84.6-178.9-171.500000112.7
160Y75.9Confident79.4Confident41 Ų4182.6 Ų82.616%0.16143%0.427CS..  trans-74.6129.4178.3-60.2-76.9000110.8W157 H165 A169 F270 E272W157-Y160 HydrophobicContact CH2-CD1 4.42Å; W157-Y160 HydrophobicContact CH2-CE1 4.29Å; W157-Y160 HydrophobicContact CZ2-CD1 4.22Å; W157-Y160 HydrophobicContact CZ2-CE1 4.06Å; Y160-H165 HydrophobicContact CD1-CB 3.87Å; Y160-H165 HydrophobicContact CG-CB 4.44Å; Y160-A169 HydrophobicContact CE1-CB 3.8Å; Y160-A169 HydrophobicContact CE2-CB 3.81Å; Y160-A169 VanDerWaalsContact OH-CB 3.29Å; Y160-A169 WeakPolarHBondContact OH-CB 3.29Å; Y160-F270 WeakPolarHBondContact CE2-O 3.4Å; Y160-F270 PolarHBondContact OH-O 3.04Å; Y160-E272 HydrophobicContact CD2-CB 4.45Å; Y160-E272 HydrophobicContact CD2-CG 3.67Å; Y160-E272 HydrophobicContact CE2-CB 4.41Å; Y160-E272 HydrophobicContact CE2-CG 3.57Å
161E73.5Confident79.3Confident131 Ų13185 Ų8561%0.61243%0.425SS*.SBendtrans-80.6-31.4-176.7-64.2-173.7173.400112.7Y257E161-Y257 HydrophobicContact CG-CD1 4.33Å; E161-Y257 HydrophobicContact CG-CD2 3.61Å; E161-Y257 HydrophobicContact CG-CE2 3.89Å; E161-Y257 HydrophobicContact CG-CG 3.86Å; E161-Y257 WeakPolarHBondContact OE1-CE2 3.42Å
162T79Confident79.4Confident60 Ų6083.4 Ų83.437%0.36841%0.414SS..SBendtrans-120.9151-177.265.90000111.7D164 H165 Q166T162-D164 PolarHBondContact O-N 3.27Å; T162-H165 PolarHBondContact O-N 3.38Å; T162-H165 PolarHBondContact OG1-CD2 3.07Å; T162-H165 PolarHBondContact OG1-N 2.94Å; T162-Q166 PolarHBondContact O-N 2.87Å
163V79.4Confident79.4Confident99 Ų9977 Ų7760%0.639%0.385SS*.Hα-helixtrans-61.2-33.4174.8-1790000110.9Q166 I167V163-Q166 WeakPolarHBondContact O-CB 3.43Å; V163-Q166 PolarHBondContact O-N 2.83Å; V163-Q166 VanDerWaalsContact O-N 3.17Å; V163-I167 HydrophobicContact CG1-CD1 3.92Å; V163-I167 HydrophobicContact CG1-CG1 4.32Å; V163-I167 WeakPolarHBondContact O-CG1 3.45Å; V163-I167 PolarHBondContact O-N 2.89Å
164D82.6Confident79.5Confident124 Ų12476.4 Ų76.466%0.66338%0.383SS*.Hα-helixtrans-63.8-44178.1-63.1-33000111.8T162 Q166 I167 E168T162-D164 PolarHBondContact O-N 3.27Å; D164-Q166 VanDerWaalsContact C-N 3.26Å; D164-Q166 PolarHBondContact O-N 3.15Å; D164-I167 PolarHBondContact O-N 3.31Å; D164-E168 WeakPolarHBondContact O-CB 3.38Å; D164-E168 PolarHBondContact O-N 3.43Å
165H80.1Confident79.6Confident95 Ų9576.4 Ų76.444%0.4439%0.388SS..Hα-helixtrans-64.6-33.3174-74-50.1000112.2Y160 T162 E168 A169Y160-H165 HydrophobicContact CD1-CB 3.87Å; Y160-H165 HydrophobicContact CG-CB 4.44Å; T162-H165 PolarHBondContact O-N 3.38Å; T162-H165 PolarHBondContact OG1-CD2 3.07Å; T162-H165 PolarHBondContact OG1-N 2.94Å; H165-E168 IonicContact ND1-OE2 3.78Å; H165-A169 WeakPolarHBondContact O-CB 3.49Å; H165-A169 PolarHBondContact O-N 3.43Å
166Q76.3Confident79.5Confident57 Ų5774.8 Ų74.827%0.26638%0.38SS..Hα-helixtrans-66.1-46175-160.7-177.1-2.100111.6T162 V163 D164 E168 A169 Q170 E272T162-Q166 PolarHBondContact O-N 2.87Å; V163-Q166 WeakPolarHBondContact O-CB 3.43Å; V163-Q166 PolarHBondContact O-N 2.83Å; V163-Q166 VanDerWaalsContact O-N 3.17Å; D164-Q166 VanDerWaalsContact C-N 3.26Å; D164-Q166 PolarHBondContact O-N 3.15Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-E168 PolarHBondContact O-N 2.81Å; Q166-A169 PolarHBondContact O-N 3Å; Q166-Q170 WeakPolarHBondContact O-CB 3.49Å; Q166-Q170 PolarHBondContact O-N 3.36Å; Q166-E272 WeakPolarHBondContact CG-OE1 3.27Å; Q166-E272 PolarHBondContact NE2-OE1 2.72Å
167I80.3Confident79.2Confident67 Ų6777.4 Ų77.434%0.34438%0.377SS..Hα-helixtrans-62.8-41.6176.7-68.3167.5000110.5V163 D164 Q170 R171V163-I167 HydrophobicContact CG1-CD1 3.92Å; V163-I167 HydrophobicContact CG1-CG1 4.32Å; V163-I167 WeakPolarHBondContact O-CG1 3.45Å; V163-I167 PolarHBondContact O-N 2.89Å; D164-I167 PolarHBondContact O-N 3.31Å; I167-Q170 PolarHBondContact O-N 2.73Å; I167-R171 WeakPolarHBondContact O-CB 3.47Å; I167-R171 VanDerWaalsContact O-CG 3.28Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 2.8Å
168E81.3Confident79Confident115 Ų11579.4 Ų79.454%0.53739%0.394SS..Hα-helixtrans-63.2-44.5176.8-171.6176.7-165.100111.7D164 H165 Q166 R171 K172D164-E168 WeakPolarHBondContact O-CB 3.38Å; D164-E168 PolarHBondContact O-N 3.43Å; H165-E168 IonicContact ND1-OE2 3.78Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-E168 PolarHBondContact O-N 2.81Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-K172 WeakPolarHBondContact O-CB 3.36Å; E168-K172 PolarHBondContact O-N 2.96Å
169A80.9Confident78.9Confident6 Ų677.4 Ų77.45%0.0539%0.386CS..Hα-helixtrans-62.5-44.6174.700000112Y160 H165 Q166 R171 K172 Y173Y160-A169 HydrophobicContact CE1-CB 3.8Å; Y160-A169 HydrophobicContact CE2-CB 3.81Å; Y160-A169 VanDerWaalsContact OH-CB 3.29Å; Y160-A169 WeakPolarHBondContact OH-CB 3.29Å; H165-A169 WeakPolarHBondContact O-CB 3.49Å; H165-A169 PolarHBondContact O-N 3.43Å; Q166-A169 PolarHBondContact O-N 3Å; A169-R171 VanDerWaalsContact C-N 3.29Å; A169-R171 PolarHBondContact O-N 2.79Å; A169-K172 PolarHBondContact O-N 3.15Å; A169-K172 VanDerWaalsContact O-N 3.17Å; A169-Y173 HydrophobicContact CB-CD2 4.23Å; A169-Y173 HydrophobicContact CB-CE2 4.39Å; A169-Y173 WeakPolarHBondContact O-CD2 3.28Å; A169-Y173 PolarHBondContact O-N 3.36Å
170Q82.4Confident78.9Confident78 Ų7879.4 Ų79.436%0.36439%0.394SS..Hα-helixtrans-62.6-36.8176.8-169.9-174.2-12.800111.6Q166 I167 G174 L175Q166-Q170 WeakPolarHBondContact O-CB 3.49Å; Q166-Q170 PolarHBondContact O-N 3.36Å; I167-Q170 PolarHBondContact O-N 2.73Å; Q170-G174 CarbonylContact O-C 3.56Å; Q170-G174 WeakPolarHBondContact O-CA 3.32Å; Q170-G174 PolarHBondContact O-N 3.5Å; Q170-L175 HydrophobicContact CG-CD2 4.19Å; Q170-L175 HydrophobicContact CG-CG 4.49Å; Q170-L175 VanDerWaalsContact NE2-CD2 3.29Å
171R81.7Confident79Confident128 Ų12882.9 Ų82.948%0.48342%0.416SS..Hα-helixtrans-67.9-41.3173.1-74.6174.2-175.5-175.23112K129 I167 E168 A169K129-R171 PolarHBondContact NZ-O 2.97Å; I167-R171 WeakPolarHBondContact O-CB 3.47Å; I167-R171 VanDerWaalsContact O-CG 3.28Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 2.8Å; E168-R171 PolarHBondContact O-N 3.41Å; A169-R171 VanDerWaalsContact C-N 3.29Å; A169-R171 PolarHBondContact O-N 2.79Å
172K82.7Confident79.3Confident90 Ų9078.8 Ų78.839%0.39140%0.4SS..Hα-helixtrans-67.6-53.3-178.5-174175.5178.7-173.80111.5T143 E168 A169T143-K172 HydrophobicContact CG2-CG 4.14Å; E168-K172 WeakPolarHBondContact O-CB 3.36Å; E168-K172 PolarHBondContact O-N 2.96Å; A169-K172 PolarHBondContact O-N 3.15Å; A169-K172 VanDerWaalsContact O-N 3.17Å
173Y83.1Confident79.7Confident42 Ų4278 Ų7817%0.16540%0.396CS..Hα-helixtrans-92.8-20-172.5-57.7-61.7000113.9T143 E144 F145 P146 A169 F270T143-Y173 HydrophobicContact CG2-CD1 3.72Å; T143-Y173 HydrophobicContact CG2-CE1 4Å; E144-Y173 WeakPolarHBondContact O-CE1 3.42Å; F145-Y173 AromaticContact CD1-CD1 3.52Å; F145-Y173 HydrophobicContact CD1-CD1 3.52Å; F145-Y173 AromaticContact CD1-CE1 3.74Å; F145-Y173 HydrophobicContact CD1-CE1 3.74Å; F145-Y173 HydrophobicContact CD1-CG 4.46Å; F145-Y173 AromaticContact CE1-CD1 3.39Å; F145-Y173 HydrophobicContact CE1-CD1 3.39Å; F145-Y173 HydrophobicContact CE1-CE1 4.09Å; F145-Y173 HydrophobicContact CE1-CG 4.16Å; F145-Y173 HydrophobicContact CG-CE1 4.47Å; F145-Y173 HydrophobicContact CZ-CD1 4.3Å; P146-Y173 WeakPolarHBondContact CD-OH 3.48Å; A169-Y173 HydrophobicContact CB-CD2 4.23Å; A169-Y173 HydrophobicContact CB-CE2 4.39Å; A169-Y173 WeakPolarHBondContact O-CD2 3.28Å; A169-Y173 PolarHBondContact O-N 3.36Å; Y173-F270 HydrophobicContact CD1-CB 4.07Å; Y173-F270 HydrophobicContact CD2-CB 3.6Å; Y173-F270 HydrophobicContact CE1-CB 4.44Å; Y173-F270 HydrophobicContact CE2-CB 4.01Å; Y173-F270 HydrophobicContact CG-CB 3.62Å
174G82.9Confident80.2Confident29 Ų2976 Ų7630%0.29939%0.386SS..  trans80.2-178.8-170.300000112.3Q170Q170-G174 CarbonylContact O-C 3.56Å; Q170-G174 WeakPolarHBondContact O-CA 3.32Å; Q170-G174 PolarHBondContact O-N 3.5Å
175L80.1Confident80.6Confident68 Ų6874.1 Ų74.136%0.35637%0.372SS..  trans-79.5147.7172.2-72.1165.4000110.1Q170 E177 A266 K267Q170-L175 HydrophobicContact CG-CD2 4.19Å; Q170-L175 HydrophobicContact CG-CG 4.49Å; Q170-L175 VanDerWaalsContact NE2-CD2 3.29Å; L175-E177 HydrophobicContact CB-CG 4.03Å; L175-E177 PolarHBondContact O-N 3.46Å; L175-A266 WeakPolarHBondContact CD2-O 3.23Å; L175-K267 HydrophobicContact CD2-CG 4.46Å
176N78.9Confident81.2Confident64 Ų6472.7 Ų72.734%0.34238%0.377SS..SBendtrans-80.665.9171.8-177.537.3000110.6A266 L268N176-A266 PolarHBondContact N-O 3.29Å; N176-A266 VanDerWaalsContact N-O 3.16Å; N176-A266 WeakPolarHBondContact O-CA 3.07Å; N176-L268 HydrophobicContact CB-CB 4.25Å; N176-L268 WeakPolarHBondContact CB-O 3.43Å
177E75.5Confident81.9Confident111 Ų11175 Ų7552%0.51939%0.388SS..  trans-123.8131.1176.365.8-177.1178.200111.5L175 H179L175-E177 HydrophobicContact CB-CG 4.03Å; L175-E177 PolarHBondContact O-N 3.46Å; E177-H179 PolarHBondContact O-N 2.97Å
178L73.5Confident82.5Confident127 Ų12772 Ų7267%0.66537%0.372SS*.  trans-84.486.7169.4-176.370.1000108.6L180L178-L180 HydrophobicContact CD2-CG 4.48Å; L178-L180 HydrophobicContact CG-CG 4.28Å; L178-L180 PolarHBondContact O-N 3.05Å
179H72.2Confident83Confident86 Ų8669.3 Ų69.340%0.39836%0.359SS..  trans-80.2104.4174.3-158.9-104.8000110.6R127 E177 D181R127-H179 PolarHBondContact NH1-O 3.39Å; R127-H179 PolarHBondContact NH2-O 3.45Å; E177-H179 PolarHBondContact O-N 2.97Å; H179-D181 IonicContact CE1-OD1 2.85Å; H179-D181 PolarHBondContact CE1-OD1 2.93Å; H179-D181 IonicContact CE1-OD2 3.77Å; H179-D181 VanDerWaalsContact ND1-CG 3.28Å; H179-D181 IonicContact ND1-OD1 3.08Å; H179-D181 PolarHBondContact ND1-OD1 2.92Å; H179-D181 IonicContact ND1-OD2 3.79Å; H179-D181 PolarHBondContact ND1-OD2 2.88Å; H179-D181 VanDerWaalsContact ND1-OD2 3.08Å
180L75.2Confident83.5Confident49 Ų4975 Ų7526%0.25738%0.383SS..  trans-93.997.9168-65.2178.7000109L178 V182 S246L178-L180 HydrophobicContact CD2-CG 4.48Å; L178-L180 HydrophobicContact CG-CG 4.28Å; L178-L180 PolarHBondContact O-N 3.05Å; L180-V182 PolarHBondContact O-N 2.95Å; L180-V182 VanDerWaalsContact O-N 3.13Å; L180-S246 WeakPolarHBondContact CD1-OG 3.22Å
181D76.9Confident83.9Confident115 Ų11577.5 Ų77.562%0.61539%0.394SS*.  trans-64.5108.3169.1-70.2-64.8000109.7H179 P183H179-D181 IonicContact CE1-OD1 2.85Å; H179-D181 PolarHBondContact CE1-OD1 2.93Å; H179-D181 IonicContact CE1-OD2 3.77Å; H179-D181 VanDerWaalsContact ND1-CG 3.28Å; H179-D181 IonicContact ND1-OD1 3.08Å; H179-D181 PolarHBondContact ND1-OD1 2.92Å; H179-D181 IonicContact ND1-OD2 3.79Å; H179-D181 PolarHBondContact ND1-OD2 2.88Å; H179-D181 VanDerWaalsContact ND1-OD2 3.08Å; D181-P183 WeakPolarHBondContact O-CD 3.13Å
182V80.5Confident84.3Confident45 Ų4577.6 Ų77.627%0.27339%0.394SS..PPolyproline II helixtrans-80.2119.2169174.80000106.4L180 L236 L239 R243L180-V182 PolarHBondContact O-N 2.95Å; L180-V182 VanDerWaalsContact O-N 3.13Å; V182-L236 HydrophobicContact CG1-CD2 4.34Å; V182-L239 HydrophobicContact CG1-CB 4.41Å; V182-R243 HydrophobicContact CG2-CB 4.02Å; V182-R243 HydrophobicContact CG2-CG 4.32Å
183P86.9Confident84.7Confident43 Ų4374.3 Ų74.328%0.27938%0.384SS..PPolyproline II helixtrans-65.5149-177.821.3-22.5000109.8D181 E187 L188 L236 L239D181-P183 WeakPolarHBondContact O-CD 3.13Å; P183-E187 HydrophobicContact CB-CB 4.33Å; P183-L188 HydrophobicContact CB-CD1 3.55Å; P183-L188 HydrophobicContact CB-CG 4.35Å; P183-L188 HydrophobicContact CG-CD1 3.52Å; P183-L188 HydrophobicContact CG-CG 4.04Å; P183-L188 VanDerWaalsContact O-CD1 3.25Å; P183-L188 WeakPolarHBondContact O-CD1 3.04Å; P183-L236 VanDerWaalsContact O-CD2 3.27Å; P183-L236 WeakPolarHBondContact O-CD2 3.45Å; P183-L239 HydrophobicContact CG-CD1 4.36Å
184S90.1Very high85.1Confident56 Ų5673.6 Ų73.639%0.39238%0.384SS..PPolyproline II helixtrans-71.9156.7-179.364.40000111.2A186 E187 L188S184-A186 PolarHBondContact O-N 3.41Å; S184-A186 VanDerWaalsContact O-N 3.13Å; S184-E187 WeakPolarHBondContact CB-OE2 3.44Å; S184-E187 PolarHBondContact N-OE2 2.9Å; S184-E187 PolarHBondContact O-N 3.29Å; S184-E187 VanDerWaalsContact OG-CG 3.26Å; S184-E187 WeakPolarHBondContact OG-CG 3.33Å; S184-E187 PolarHBondContact OG-N 2.94Å; S184-E187 PolarHBondContact OG-OE2 3.41Å; S184-L188 WeakPolarHBondContact O-CD1 3.25Å; S184-L188 PolarHBondContact O-N 2.78Å; S184-L188 VanDerWaalsContact O-N 3.11Å
185F91.1Very high85.6Confident85 Ų8573.9 Ų73.937%0.37338%0.384SS..Hα-helixtrans-51-41.4176.9175.3-92.3000113.1E187 F189 A229 V232 Q233 L236F185-E187 PolarHBondContact O-N 3.45Å; F185-F189 HydrophobicContact CE1-CB 4.31Å; F185-F189 HydrophobicContact CZ-CB 4.49Å; F185-F189 HydrophobicContact CZ-CD2 4.36Å; F185-F189 WeakPolarHBondContact O-CB 3.37Å; F185-F189 PolarHBondContact O-N 2.97Å; F185-A229 HydrophobicContact CZ-CB 4.18Å; F185-V232 HydrophobicContact CD2-CB 4.4Å; F185-V232 HydrophobicContact CD2-CG1 3.62Å; F185-V232 HydrophobicContact CE2-CB 3.96Å; F185-V232 HydrophobicContact CE2-CG1 3.66Å; F185-V232 HydrophobicContact CG-CG1 4.47Å; F185-Q233 HydrophobicContact CD2-CG 4.37Å; F185-Q233 HydrophobicContact CE2-CG 3.97Å; F185-L236 HydrophobicContact CB-CD1 3.71Å; F185-L236 HydrophobicContact CD2-CD1 3.7Å; F185-L236 HydrophobicContact CG-CD1 4.2Å
186A92.2Very high86Confident66 Ų6674.7 Ų74.755%0.54539%0.393SS..Hα-helixtrans-65.7-3717900000112.7S184 K190S184-A186 PolarHBondContact O-N 3.41Å; S184-A186 VanDerWaalsContact O-N 3.13Å; A186-K190 WeakPolarHBondContact O-CB 3.33Å; A186-K190 PolarHBondContact O-N 3Å
187E91.9Very high86.5Confident106 Ų10678 Ų7850%0.49541%0.405SS..Hα-helixtrans-68.2-49.8178-74163.9152.400111.4P183 S184 F185 F189 K190 E191P183-E187 HydrophobicContact CB-CB 4.33Å; S184-E187 WeakPolarHBondContact CB-OE2 3.44Å; S184-E187 PolarHBondContact N-OE2 2.9Å; S184-E187 PolarHBondContact O-N 3.29Å; S184-E187 VanDerWaalsContact OG-CG 3.26Å; S184-E187 WeakPolarHBondContact OG-CG 3.33Å; S184-E187 PolarHBondContact OG-N 2.94Å; S184-E187 PolarHBondContact OG-OE2 3.41Å; F185-E187 PolarHBondContact O-N 3.45Å; E187-F189 VanDerWaalsContact C-N 3.31Å; E187-F189 PolarHBondContact O-N 3.22Å; E187-K190 WeakPolarHBondContact O-CB 3.48Å; E187-K190 PolarHBondContact O-N 3.33Å; E187-E191 WeakPolarHBondContact O-CG 3.47Å; E187-E191 PolarHBondContact O-N 3.04Å
188L91.8Very high87.3Confident3 Ų373.7 Ų73.72%0.01638%0.384CS..Hα-helixtrans-63-41.1176.5-71.788.4000111.5P183 S184 K190 E191 R192 V232 Q235 L236 L239P183-L188 HydrophobicContact CB-CD1 3.55Å; P183-L188 HydrophobicContact CB-CG 4.35Å; P183-L188 HydrophobicContact CG-CD1 3.52Å; P183-L188 HydrophobicContact CG-CG 4.04Å; P183-L188 VanDerWaalsContact O-CD1 3.25Å; P183-L188 WeakPolarHBondContact O-CD1 3.04Å; S184-L188 WeakPolarHBondContact O-CD1 3.25Å; S184-L188 PolarHBondContact O-N 2.78Å; S184-L188 VanDerWaalsContact O-N 3.11Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 2.98Å; L188-E191 PolarHBondContact O-N 2.88Å; L188-R192 PolarHBondContact O-N 2.9Å; L188-V232 HydrophobicContact CB-CG1 3.7Å; L188-V232 HydrophobicContact CD2-CG1 4.5Å; L188-Q235 HydrophobicContact CD2-CB 4.3Å; L188-Q235 HydrophobicContact CD2-CG 3.85Å; L188-L236 HydrophobicContact CD1-CD2 3.48Å; L188-L236 VanDerWaalsContact CD1-CD2 3.48Å; L188-L236 HydrophobicContact CD1-CG 4.18Å; L188-L236 HydrophobicContact CD2-CD2 4.08Å; L188-L236 HydrophobicContact CD2-CG 4.15Å; L188-L236 HydrophobicContact CG-CD2 4.44Å; L188-L239 HydrophobicContact CD2-CD1 4.06Å
189F92.8Very high88.2Confident58 Ų5869.5 Ų69.525%0.25436%0.364SS..Hα-helixtrans-63-40178.6-175.5-98.9000110.8F185 E187 R192 A193 E228 V232F185-F189 HydrophobicContact CE1-CB 4.31Å; F185-F189 HydrophobicContact CZ-CB 4.49Å; F185-F189 HydrophobicContact CZ-CD2 4.36Å; F185-F189 WeakPolarHBondContact O-CB 3.37Å; F185-F189 PolarHBondContact O-N 2.97Å; E187-F189 VanDerWaalsContact C-N 3.31Å; E187-F189 PolarHBondContact O-N 3.22Å; F189-R192 PolarHBondContact O-N 2.78Å; F189-A193 HydrophobicContact CE1-CB 4.29Å; F189-A193 WeakPolarHBondContact O-CB 3.26Å; F189-A193 PolarHBondContact O-N 2.84Å; F189-E228 HydrophobicContact CE2-CB 4.22Å; F189-V232 HydrophobicContact CB-CG1 4.47Å; F189-V232 HydrophobicContact CB-CG2 4.47Å; F189-V232 HydrophobicContact CD2-CG2 4.2Å
190K91.6Very high89.1Confident127 Ų12771.7 Ų71.755%0.55237%0.372SS*.Hα-helixtrans-62.8-47.1173.9-178.7-176.9177.3-176.20111.6A186 E187 L188 R192 A193 T194A186-K190 WeakPolarHBondContact O-CB 3.33Å; A186-K190 PolarHBondContact O-N 3Å; E187-K190 WeakPolarHBondContact O-CB 3.48Å; E187-K190 PolarHBondContact O-N 3.33Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 2.98Å; K190-R192 VanDerWaalsContact C-N 3.29Å; K190-R192 PolarHBondContact O-N 3.45Å; K190-A193 PolarHBondContact O-N 2.98Å; K190-T194 HydrophobicContact CG-CG2 4.32Å; K190-T194 WeakPolarHBondContact O-CB 3.48Å; K190-T194 VanDerWaalsContact O-CG2 3.25Å; K190-T194 WeakPolarHBondContact O-CG2 3.5Å; K190-T194 PolarHBondContact O-N 2.83Å; K190-T194 PolarHBondContact O-OG1 3.22Å; K190-T194 VanDerWaalsContact O-OG1 3.07Å
191E90.7Very high89.9Confident130 Ų13072 Ų7261%0.60737%0.373SS*.Hα-helixtrans-56.6-45.5177.1-73.6-180175.700111.2E187 L188 T194E187-E191 WeakPolarHBondContact O-CG 3.47Å; E187-E191 PolarHBondContact O-N 3.04Å; L188-E191 PolarHBondContact O-N 2.88Å; E191-T194 PolarHBondContact O-N 2.8Å; E191-T194 PolarHBondContact O-OG1 3.4Å
192R90.5Very high90.7Very high129 Ų12969 Ų6949%0.48736%0.358SS..Hα-helixtrans-65.9-44.6175.2-79.6-73.1-177.5168.6-1.4113.4L188 F189 K190 T194 A195 V232L188-R192 PolarHBondContact O-N 2.9Å; F189-R192 PolarHBondContact O-N 2.78Å; K190-R192 VanDerWaalsContact C-N 3.29Å; K190-R192 PolarHBondContact O-N 3.45Å; R192-T194 PolarHBondContact O-N 2.91Å; R192-A195 WeakPolarHBondContact O-CB 3.37Å; R192-A195 PolarHBondContact O-N 2.96Å; R192-V232 HydrophobicContact CB-CG2 4.36Å; R192-V232 HydrophobicContact CG-CG2 4.1Å
193A91.5Very high91.2Very high22 Ų2270.7 Ų70.718%0.18236%0.362CS..Hα-helixtrans-67.4-25.9-17900000112.6F189 K190 A195 F198 V199F189-A193 HydrophobicContact CE1-CB 4.29Å; F189-A193 WeakPolarHBondContact O-CB 3.26Å; F189-A193 PolarHBondContact O-N 2.84Å; K190-A193 PolarHBondContact O-N 2.98Å; A193-A195 VanDerWaalsContact C-N 3.25Å; A193-A195 PolarHBondContact O-N 3.09Å; A193-F198 HydrophobicContact CB-CD1 4.02Å; A193-F198 HydrophobicContact CB-CE1 3.9Å; A193-F198 WeakPolarHBondContact O-CD1 3.47Å; A193-V199 WeakPolarHBondContact O-CG2 3.43Å
194T91.3Very high91.4Very high27 Ų2771.6 Ų71.617%0.16637%0.369CS..THydrogen-bonded Turntrans-83.1-0.217461.40000113.3H71 W72 K190 E191 R192H71-T194 PolarHBondContact NE2-OG1 2.82Å; W72-T194 WeakPolarHBondContact CZ2-O 3.44Å; W72-T194 PolarHBondContact NE1-O 3.24Å; K190-T194 HydrophobicContact CG-CG2 4.32Å; K190-T194 WeakPolarHBondContact O-CB 3.48Å; K190-T194 VanDerWaalsContact O-CG2 3.25Å; K190-T194 WeakPolarHBondContact O-CG2 3.5Å; K190-T194 PolarHBondContact O-N 2.83Å; K190-T194 PolarHBondContact O-OG1 3.22Å; K190-T194 VanDerWaalsContact O-OG1 3.07Å; E191-T194 PolarHBondContact O-N 2.8Å; E191-T194 PolarHBondContact O-OG1 3.4Å; R192-T194 PolarHBondContact O-N 2.91Å
195A91.8Very high91.5Very high34 Ų3470 Ų7028%0.28136%0.358SS..SBendtrans-61.7137.9173.500000110R192 A193 F197 F198 V199R192-A195 WeakPolarHBondContact O-CB 3.37Å; R192-A195 PolarHBondContact O-N 2.96Å; A193-A195 VanDerWaalsContact C-N 3.25Å; A193-A195 PolarHBondContact O-N 3.09Å; A195-F197 PolarHBondContact O-N 3.25Å; A195-F197 VanDerWaalsContact O-N 3.12Å; A195-F198 PolarHBondContact O-N 2.66Å; A195-V199 WeakPolarHBondContact O-CG2 3.27Å; A195-V199 PolarHBondContact O-N 3.16Å
196P89.1Confident91.4Very high85 Ų8567.8 Ų67.855%0.55236%0.358SS*.Hα-helixtrans-57.6-33.7-17621.3-33000112.6W72 F200W72-P196 HydrophobicContact CH2-CB 3.78Å; W72-P196 HydrophobicContact CZ2-CB 3.9Å; P196-F200 VanDerWaalsContact O-CB 3.29Å; P196-F200 WeakPolarHBondContact O-CB 3.44Å; P196-F200 PolarHBondContact O-N 3.1Å
197F89.6Confident91.3Very high134 Ų13469.1 Ų69.159%0.58836%0.356SS*.Hα-helixtrans-63.9-49.3175.7-179-109.6000112.4A195 F200 Q201A195-F197 PolarHBondContact O-N 3.25Å; A195-F197 VanDerWaalsContact O-N 3.12Å; F197-F200 PolarHBondContact O-N 2.96Å; F197-Q201 HydrophobicContact CD1-CG 4.48Å; F197-Q201 HydrophobicContact CE1-CG 4.22Å; F197-Q201 HydrophobicContact CE2-CG 4.28Å; F197-Q201 VanDerWaalsContact CZ-CD 3.47Å; F197-Q201 HydrophobicContact CZ-CG 4.12Å; F197-Q201 WeakPolarHBondContact O-CG 3.48Å; F197-Q201 PolarHBondContact O-N 3.17Å
198F92.2Very high91.1Very high20 Ų2070.4 Ų70.49%0.08836%0.356CS..Hα-helixtrans-64-45.3-179.4-175.7-89.9000111.3A193 A195 F200 Q201 V202 L224 E228A193-F198 HydrophobicContact CB-CD1 4.02Å; A193-F198 HydrophobicContact CB-CE1 3.9Å; A193-F198 WeakPolarHBondContact O-CD1 3.47Å; A195-F198 PolarHBondContact O-N 2.66Å; F198-F200 VanDerWaalsContact C-N 3.31Å; F198-F200 PolarHBondContact O-N 3.41Å; F198-Q201 PolarHBondContact O-N 2.9Å; F198-V202 HydrophobicContact CD1-CG2 3.94Å; F198-V202 HydrophobicContact CE1-CG2 3.56Å; F198-V202 HydrophobicContact CZ-CG2 3.9Å; F198-V202 WeakPolarHBondContact O-CG2 3.27Å; F198-V202 PolarHBondContact O-N 3.4Å; F198-L224 HydrophobicContact CD2-CD2 3.85Å; F198-L224 HydrophobicContact CE2-CD2 3.17Å; F198-L224 HydrophobicContact CE2-CG 4.4Å; F198-L224 HydrophobicContact CZ-CD2 3.71Å; F198-E228 HydrophobicContact CD2-CG 3.69Å; F198-E228 HydrophobicContact CE2-CB 4.21Å; F198-E228 HydrophobicContact CE2-CG 3.54Å
199V92.3Very high91Very high40 Ų4072.5 Ų72.524%0.24237%0.37CS..Hα-helixtrans-58.8-45.1177.1176.20000111L68 A193 A195 V202 F203L68-V199 HydrophobicContact CD1-CG1 3.69Å; L68-V199 HydrophobicContact CD2-CG2 4.16Å; A193-V199 WeakPolarHBondContact O-CG2 3.43Å; A195-V199 WeakPolarHBondContact O-CG2 3.27Å; A195-V199 PolarHBondContact O-N 3.16Å; V199-V202 PolarHBondContact O-N 2.94Å; V199-F203 WeakPolarHBondContact O-CB 3.28Å; V199-F203 PolarHBondContact O-N 3.41Å
200F90.6Very high90.6Very high132 Ų13276.7 Ų76.758%0.57940%0.395SS*.Hα-helixtrans-64.9-40.1178-178.6-101.8000112.3P196 F197 F198 F203 S204P196-F200 VanDerWaalsContact O-CB 3.29Å; P196-F200 WeakPolarHBondContact O-CB 3.44Å; P196-F200 PolarHBondContact O-N 3.1Å; F197-F200 PolarHBondContact O-N 2.96Å; F198-F200 VanDerWaalsContact C-N 3.31Å; F198-F200 PolarHBondContact O-N 3.41Å; F200-F203 PolarHBondContact O-N 2.89Å; F200-S204 WeakPolarHBondContact O-CB 3.41Å; F200-S204 PolarHBondContact O-N 2.8Å
201Q93Very high90.3Very high55 Ų5575.7 Ų75.726%0.25740%0.396SS..Hα-helixtrans-61.7-48.6175.7-75.9-175.5-38.700111.9F197 F198 F203 S204 V205 L224F197-Q201 HydrophobicContact CD1-CG 4.48Å; F197-Q201 HydrophobicContact CE1-CG 4.22Å; F197-Q201 HydrophobicContact CE2-CG 4.28Å; F197-Q201 VanDerWaalsContact CZ-CD 3.47Å; F197-Q201 HydrophobicContact CZ-CG 4.12Å; F197-Q201 WeakPolarHBondContact O-CG 3.48Å; F197-Q201 PolarHBondContact O-N 3.17Å; F198-Q201 PolarHBondContact O-N 2.9Å; Q201-F203 VanDerWaalsContact C-N 3.27Å; Q201-F203 PolarHBondContact O-N 3.11Å; Q201-S204 PolarHBondContact O-N 3.48Å; Q201-V205 WeakPolarHBondContact O-CG2 3.16Å; Q201-V205 PolarHBondContact O-N 3.13Å; Q201-L224 HydrophobicContact CB-CD1 3.92Å
202V93.2Very high89.6Confident51 Ų5177.2 Ų77.231%0.30940%0.403SS..Hα-helixtrans-60.5-40.9177.5173.90000110.7F198 V199 V205 G206 L221 L224F198-V202 HydrophobicContact CD1-CG2 3.94Å; F198-V202 HydrophobicContact CE1-CG2 3.56Å; F198-V202 HydrophobicContact CZ-CG2 3.9Å; F198-V202 WeakPolarHBondContact O-CG2 3.27Å; F198-V202 PolarHBondContact O-N 3.4Å; V199-V202 PolarHBondContact O-N 2.94Å; V202-V205 PolarHBondContact O-N 2.75Å; V202-G206 PolarHBondContact O-N 2.95Å; V202-L221 HydrophobicContact CG1-CD1 4.2Å; V202-L221 HydrophobicContact CG2-CD1 4.1Å; V202-L224 HydrophobicContact CG2-CD2 4.27Å
203F90.9Very high89.2Confident81 Ų8178.1 Ų78.136%0.35541%0.407SS..Hα-helixtrans-61.8-46.3175.1176.4-110.9000112.4F61 V199 F200 Q201 V205 G206 L207F61-F203 HydrophobicContact CD2-CD2 4.2Å; F61-F203 AromaticContact CD2-CE2 3.6Å; F61-F203 HydrophobicContact CD2-CE2 3.6Å; F61-F203 AromaticContact CD2-CZ 3.96Å; F61-F203 HydrophobicContact CD2-CZ 3.96Å; F61-F203 HydrophobicContact CE2-CD1 4.29Å; F61-F203 AromaticContact CE2-CD2 3.77Å; F61-F203 HydrophobicContact CE2-CD2 3.77Å; F61-F203 AromaticContact CE2-CE1 3.9Å; F61-F203 HydrophobicContact CE2-CE1 3.9Å; F61-F203 AromaticContact CE2-CE2 3.34Å; F61-F203 HydrophobicContact CE2-CE2 3.34Å; F61-F203 HydrophobicContact CE2-CG 4.22Å; F61-F203 AromaticContact CE2-CZ 3.4Å; F61-F203 HydrophobicContact CE2-CZ 3.4Å; F61-F203 VanDerWaalsContact CE2-CZ 3.4Å; F61-F203 HydrophobicContact CZ-CE1 4.14Å; F61-F203 HydrophobicContact CZ-CE2 4.29Å; F61-F203 AromaticContact CZ-CZ 3.9Å; F61-F203 HydrophobicContact CZ-CZ 3.9Å; V199-F203 WeakPolarHBondContact O-CB 3.28Å; V199-F203 PolarHBondContact O-N 3.41Å; F200-F203 PolarHBondContact O-N 2.89Å; Q201-F203 VanDerWaalsContact C-N 3.27Å; Q201-F203 PolarHBondContact O-N 3.11Å; F203-V205 PolarHBondContact O-N 2.99Å; F203-G206 PolarHBondContact O-N 3.38Å; F203-L207 HydrophobicContact CD1-CD1 4.25Å; F203-L207 HydrophobicContact CE1-CD1 3.6Å; F203-L207 HydrophobicContact CE1-CG 4.32Å; F203-L207 HydrophobicContact CE2-CD1 4.32Å; F203-L207 HydrophobicContact CE2-CD2 4.37Å; F203-L207 HydrophobicContact CE2-CG 4.22Å; F203-L207 HydrophobicContact CZ-CD1 3.65Å; F203-L207 HydrophobicContact CZ-CD2 4.27Å; F203-L207 HydrophobicContact CZ-CG 4.04Å; F203-L207 PolarHBondContact O-N 2.83Å
204S91.4Very high89.1Confident62 Ų6284.6 Ų84.643%0.43443%0.427SS..Hα-helixtrans-62.9-39.9178.3-174.60000112.5F200 Q201 G206 L207 W208F200-S204 WeakPolarHBondContact O-CB 3.41Å; F200-S204 PolarHBondContact O-N 2.8Å; Q201-S204 PolarHBondContact O-N 3.48Å; S204-G206 VanDerWaalsContact C-N 3.35Å; S204-L207 PolarHBondContact O-N 3.41Å; S204-W208 PolarHBondContact O-N 2.97Å; S204-W208 VanDerWaalsContact O-N 3.15Å
205V92.2Very high89.1Confident24 Ų2486.8 Ų86.815%0.14544%0.44CS..Hα-helixtrans-70.6-34.6176.2177.30000110.8Q201 V202 F203 W208 C209 P217 L221Q201-V205 WeakPolarHBondContact O-CG2 3.16Å; Q201-V205 PolarHBondContact O-N 3.13Å; V202-V205 PolarHBondContact O-N 2.75Å; F203-V205 PolarHBondContact O-N 2.99Å; V205-W208 WeakPolarHBondContact O-CB 3.45Å; V205-W208 PolarHBondContact O-N 3.46Å; V205-C209 PolarHBondContact O-N 3.26Å; V205-P217 HydrophobicContact CG1-CB 3.84Å; V205-P217 VanDerWaalsContact CG1-O 3.24Å; V205-P217 WeakPolarHBondContact CG1-O 3.48Å; V205-L221 HydrophobicContact CG1-CB 3.97Å; V205-L221 HydrophobicContact CG1-CD1 4.43Å
206G89.2Confident89.1Confident38 Ų3892.6 Ų92.639%0.39246%0.456SS..Hα-helixtrans-61.8-42.2172.700000112.9V202 F203 S204 W208 C209 L210V202-G206 PolarHBondContact O-N 2.95Å; F203-G206 PolarHBondContact O-N 3.38Å; S204-G206 VanDerWaalsContact C-N 3.35Å; G206-W208 VanDerWaalsContact C-N 3.3Å; G206-W208 PolarHBondContact O-N 2.95Å; G206-C209 WeakPolarHBondContact O-CB 3.5Å; G206-C209 PolarHBondContact O-N 3.08Å; G206-C209 VanDerWaalsContact O-N 3.13Å; G206-L210 PolarHBondContact O-N 3.32Å
207L89Confident89.3Confident93 Ų9388.6 Ų88.649%0.48743%0.43SS..Hα-helixtrans-64-35.8173-71.3177.7000112.3F203 S204 C209 L210F203-L207 HydrophobicContact CD1-CD1 4.25Å; F203-L207 HydrophobicContact CE1-CD1 3.6Å; F203-L207 HydrophobicContact CE1-CG 4.32Å; F203-L207 HydrophobicContact CE2-CD1 4.32Å; F203-L207 HydrophobicContact CE2-CD2 4.37Å; F203-L207 HydrophobicContact CE2-CG 4.22Å; F203-L207 HydrophobicContact CZ-CD1 3.65Å; F203-L207 HydrophobicContact CZ-CD2 4.27Å; F203-L207 HydrophobicContact CZ-CG 4.04Å; F203-L207 PolarHBondContact O-N 2.83Å; S204-L207 PolarHBondContact O-N 3.41Å; L207-C209 VanDerWaalsContact C-N 3.26Å; L207-C209 PolarHBondContact O-N 3.16Å; L207-L210 HydrophobicContact CD2-CD1 4.43Å; L207-L210 WeakPolarHBondContact O-CB 3.37Å; L207-L210 PolarHBondContact O-N 3.42Å
208W89.5Confident89.4Confident133 Ų13386.5 Ų86.550%0.50442%0.424SS..Hα-helixtrans-66.3-30.4173.8-171.317.4000112.3S204 V205 G206 L210 D211 P217 A220S204-W208 PolarHBondContact O-N 2.97Å; S204-W208 VanDerWaalsContact O-N 3.15Å; V205-W208 WeakPolarHBondContact O-CB 3.45Å; V205-W208 PolarHBondContact O-N 3.46Å; G206-W208 VanDerWaalsContact C-N 3.3Å; G206-W208 PolarHBondContact O-N 2.95Å; W208-L210 VanDerWaalsContact C-N 3.26Å; W208-L210 PolarHBondContact O-N 3.09Å; W208-D211 PolarHBondContact O-N 3.45Å; W208-P217 HydrophobicContact CB-CB 4.07Å; W208-P217 HydrophobicContact CD2-CB 3.81Å; W208-P217 HydrophobicContact CD2-CG 4.26Å; W208-P217 HydrophobicContact CE3-CB 3.72Å; W208-P217 HydrophobicContact CG-CB 3.98Å; W208-P217 HydrophobicContact CG-CG 4.22Å; W208-P217 HydrophobicContact CZ3-CB 4.42Å; W208-A220 HydrophobicContact CZ3-CB 4.4Å
209C88.6Confident89.5Confident47 Ų4790.7 Ų90.732%0.31845%0.446SS..Hα-helixtrans-71.7-16.9175.9-165.70000114V205 G206 L207 D211 P217V205-C209 PolarHBondContact O-N 3.26Å; G206-C209 WeakPolarHBondContact O-CB 3.5Å; G206-C209 PolarHBondContact O-N 3.08Å; G206-C209 VanDerWaalsContact O-N 3.13Å; L207-C209 VanDerWaalsContact C-N 3.26Å; L207-C209 PolarHBondContact O-N 3.16Å; C209-D211 VanDerWaalsContact C-N 3.26Å; C209-P217 HydrophobicContact CB-CB 4.29Å; C209-P217 HydrophobicContact CB-CG 3.96Å
210L85Confident89.5Confident147 Ų14790.6 Ų90.677%0.7745%0.45SS*.THydrogen-bonded Turntrans-79.2-8175.9-94.6161.5000113.3G206 L207 W208G206-L210 PolarHBondContact O-N 3.32Å; L207-L210 HydrophobicContact CD2-CD1 4.43Å; L207-L210 WeakPolarHBondContact O-CB 3.37Å; L207-L210 PolarHBondContact O-N 3.42Å; W208-L210 VanDerWaalsContact C-N 3.26Å; W208-L210 PolarHBondContact O-N 3.09Å
211D85Confident89.6Confident106 Ų10687 Ų8757%0.56744%0.436SS*.SBendtrans-82.1172.3171.2-152.2-14.3000111W208 C209 Y213W208-D211 PolarHBondContact O-N 3.45Å; C209-D211 VanDerWaalsContact C-N 3.26Å; D211-Y213 PolarHBondContact O-N 3.4Å
212E76.4Confident89.6Confident162 Ų16286 Ų8676%0.75744%0.441SS*.SBendtrans-58.3-24.4-174.8-84.2-172.9154.500114W214E212-W214 PolarHBondContact O-N 3.4Å
213Y81.6Confident89.7Confident147 Ų14789.3 Ų89.358%0.57646%0.455SS*.  trans-103.771-173.7-61.8-75.3000113.1D211 V215 Y216 P217D211-Y213 PolarHBondContact O-N 3.4Å; Y213-V215 VanDerWaalsContact C-N 3.33Å; Y213-V215 PolarHBondContact O-N 2.75Å; Y213-Y216 HydrophobicContact CD1-CE2 4.34Å; Y213-P217 WeakPolarHBondContact O-CD 3.29Å
214W89.3Confident89.8Confident159 Ų15986.8 Ų86.860%0.60245%0.445SS*.  trans-65.9-25.8-179.362.9-78.1000115.1E212 P217 L218E212-W214 PolarHBondContact O-N 3.4Å; W214-P217 WeakPolarHBondContact O-CD 3.22Å; W214-P217 WeakPolarHBondContact O-CG 3.41Å; W214-L218 HydrophobicContact CE3-CD1 3.79Å; W214-L218 HydrophobicContact CZ3-CD1 4.12Å; W214-L218 WeakPolarHBondContact O-CB 3.48Å; W214-L218 PolarHBondContact O-N 3.3Å
215V91.7Very high89.8Confident72 Ų7286.2 Ų86.244%0.43644%0.44SS..Hα-helixtrans-67.8-43.4-173.9178.30000112.7Y213 L218 I219Y213-V215 VanDerWaalsContact C-N 3.33Å; Y213-V215 PolarHBondContact O-N 2.75Å; V215-L218 PolarHBondContact O-N 2.91Å; V215-I219 HydrophobicContact CG1-CD1 4.06Å; V215-I219 WeakPolarHBondContact O-CG1 3.09Å; V215-I219 PolarHBondContact O-N 2.85Å; V215-I219 VanDerWaalsContact O-N 3.15Å
216Y91.5Very high90Very high156 Ų15690.5 Ų90.561%0.61246%0.462SS*.Hα-helixtrans-62.5-52.1-179.1-62.8-68.5000114.1Y213 L218 I219 A220Y213-Y216 HydrophobicContact CD1-CE2 4.34Å; Y216-L218 PolarHBondContact O-N 3.17Å; Y216-I219 PolarHBondContact O-N 3.08Å; Y216-A220 PolarHBondContact O-N 3.05Å
217P93.4Very high90.2Very high1 Ų194.6 Ų94.61%0.00647%0.469CS..Hα-helixtrans-62.5-30.7177.220.9-29.2000112.1V205 W208 C209 Y213 W214 A220 L221V205-P217 HydrophobicContact CG1-CB 3.84Å; V205-P217 VanDerWaalsContact CG1-O 3.24Å; V205-P217 WeakPolarHBondContact CG1-O 3.48Å; W208-P217 HydrophobicContact CB-CB 4.07Å; W208-P217 HydrophobicContact CD2-CB 3.81Å; W208-P217 HydrophobicContact CD2-CG 4.26Å; W208-P217 HydrophobicContact CE3-CB 3.72Å; W208-P217 HydrophobicContact CG-CB 3.98Å; W208-P217 HydrophobicContact CG-CG 4.22Å; W208-P217 HydrophobicContact CZ3-CB 4.42Å; C209-P217 HydrophobicContact CB-CB 4.29Å; C209-P217 HydrophobicContact CB-CG 3.96Å; Y213-P217 WeakPolarHBondContact O-CD 3.29Å; W214-P217 WeakPolarHBondContact O-CD 3.22Å; W214-P217 WeakPolarHBondContact O-CG 3.41Å; P217-A220 PolarHBondContact O-N 2.85Å; P217-L221 WeakPolarHBondContact O-CB 3.32Å; P217-L221 PolarHBondContact O-N 3.17Å
218L91.9Very high90.4Very high90 Ų9091.1 Ų91.147%0.47145%0.45SS..Hα-helixtrans-67.9-40.7178-133.8153.6000112.2W214 V215 Y216 L221 G222W214-L218 HydrophobicContact CE3-CD1 3.79Å; W214-L218 HydrophobicContact CZ3-CD1 4.12Å; W214-L218 WeakPolarHBondContact O-CB 3.48Å; W214-L218 PolarHBondContact O-N 3.3Å; V215-L218 PolarHBondContact O-N 2.91Å; Y216-L218 PolarHBondContact O-N 3.17Å; L218-L221 PolarHBondContact O-N 3.29Å; L218-G222 PolarHBondContact O-N 2.87Å
219I93.2Very high90.6Very high108 Ų10885.8 Ų85.855%0.55444%0.435SS*.Hα-helixtrans-64.2-44.6172.5-65.9170.4000110.2V215 Y216 L221 G222 M223V215-I219 HydrophobicContact CG1-CD1 4.06Å; V215-I219 WeakPolarHBondContact O-CG1 3.09Å; V215-I219 PolarHBondContact O-N 2.85Å; V215-I219 VanDerWaalsContact O-N 3.15Å; Y216-I219 PolarHBondContact O-N 3.08Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.4Å; I219-G222 PolarHBondContact O-N 3.07Å; I219-M223 WeakPolarHBondContact O-CG 3.35Å; I219-M223 PolarHBondContact O-N 3.36Å
220A92.4Very high90.8Very high39 Ų3986.4 Ų86.432%0.32244%0.439SS..Hα-helixtrans-60.2-41.8177.300000112W208 Y216 P217 M223 L224W208-A220 HydrophobicContact CZ3-CB 4.4Å; Y216-A220 PolarHBondContact O-N 3.05Å; P217-A220 PolarHBondContact O-N 2.85Å; A220-M223 PolarHBondContact O-N 3.13Å; A220-L224 WeakPolarHBondContact O-CB 3.35Å; A220-L224 PolarHBondContact O-N 2.9Å
221L93Very high91.2Very high55 Ų5582.2 Ų82.229%0.28842%0.417SS..Hα-helixtrans-61.2-43.7174.5-174.566.6000111.5V202 V205 P217 L218 I219 M223 L224 C225V202-L221 HydrophobicContact CG1-CD1 4.2Å; V202-L221 HydrophobicContact CG2-CD1 4.1Å; V205-L221 HydrophobicContact CG1-CB 3.97Å; V205-L221 HydrophobicContact CG1-CD1 4.43Å; P217-L221 WeakPolarHBondContact O-CB 3.32Å; P217-L221 PolarHBondContact O-N 3.17Å; L218-L221 PolarHBondContact O-N 3.29Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.4Å; L221-M223 PolarHBondContact O-N 2.9Å; L221-L224 PolarHBondContact O-N 3.35Å; L221-C225 PolarHBondContact O-N 3.39Å; L221-C225 PolarHBondContact O-SG 3.02Å; L221-C225 VanDerWaalsContact O-SG 3.41Å
222G93.9Very high91.7Very high35 Ų3577.2 Ų77.236%0.36139%0.391SS..Hα-helixtrans-59.1-46.1175.400000112.4L218 I219 L224 C225 L226L218-G222 PolarHBondContact O-N 2.87Å; I219-G222 PolarHBondContact O-N 3.07Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.46Å; G222-C225 PolarHBondContact O-N 2.9Å; G222-L226 WeakPolarHBondContact O-CG 3.35Å; G222-L226 PolarHBondContact O-N 2.69Å
223M93.7Very high92.5Very high120 Ų12074.6 Ų74.659%0.59138%0.378SS*.Hα-helixtrans-63-39.8176.8-68.5-58.1-64.300112.4I219 A220 L221 L226 F227I219-M223 WeakPolarHBondContact O-CG 3.35Å; I219-M223 PolarHBondContact O-N 3.36Å; A220-M223 PolarHBondContact O-N 3.13Å; L221-M223 PolarHBondContact O-N 2.9Å; M223-L226 PolarHBondContact O-N 3.17Å; M223-L226 HydrophobicContact SD-CD1 4.43Å; M223-F227 WeakPolarHBondContact O-CB 3.43Å; M223-F227 PolarHBondContact O-N 3.5Å
224L93Very high93.1Very high29 Ų2974.1 Ų74.115%0.15238%0.382CS..Hα-helixtrans-62.3-45.8176.1-177.5150.3000111.4F198 Q201 V202 A220 L221 G222 L226 F227 E228F198-L224 HydrophobicContact CD2-CD2 3.85Å; F198-L224 HydrophobicContact CE2-CD2 3.17Å; F198-L224 HydrophobicContact CE2-CG 4.4Å; F198-L224 HydrophobicContact CZ-CD2 3.71Å; Q201-L224 HydrophobicContact CB-CD1 3.92Å; V202-L224 HydrophobicContact CG2-CD2 4.27Å; A220-L224 WeakPolarHBondContact O-CB 3.35Å; A220-L224 PolarHBondContact O-N 2.9Å; L221-L224 PolarHBondContact O-N 3.35Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.46Å; L224-L226 PolarHBondContact O-N 3.26Å; L224-F227 PolarHBondContact O-N 3.35Å; L224-E228 PolarHBondContact O-N 3.23Å; L224-E228 VanDerWaalsContact O-N 3.15Å
225C93.3Very high93.3Very high49 Ų4970.1 Ų70.133%0.33137%0.37SS..Hα-helixtrans-63-41.6176.2-72.20000112.6L221 G222 A229L221-C225 PolarHBondContact O-N 3.39Å; L221-C225 PolarHBondContact O-SG 3.02Å; L221-C225 VanDerWaalsContact O-SG 3.41Å; G222-C225 PolarHBondContact O-N 2.9Å; C225-A229 WeakPolarHBondContact O-CB 3.47Å; C225-A229 PolarHBondContact O-N 3.04Å
226L94.6Very high93.4Very high115 Ų11568.2 Ų68.260%0.60236%0.357SS*.Hα-helixtrans-64.5-40.1177.2-72.4174.3000112.1G222 M223 L224 A229 S230G222-L226 WeakPolarHBondContact O-CG 3.35Å; G222-L226 PolarHBondContact O-N 2.69Å; M223-L226 PolarHBondContact O-N 3.17Å; M223-L226 HydrophobicContact SD-CD1 4.43Å; L224-L226 PolarHBondContact O-N 3.26Å; L226-A229 PolarHBondContact O-N 2.72Å; L226-S230 PolarHBondContact O-N 2.85Å
227F93.5Very high93.4Very high123 Ų12368 Ų6854%0.53936%0.359SS..Hα-helixtrans-60.9-51.2177.4178-104.2000111.2M223 L224 A229 S230 L231M223-F227 WeakPolarHBondContact O-CB 3.43Å; M223-F227 PolarHBondContact O-N 3.5Å; L224-F227 PolarHBondContact O-N 3.35Å; F227-A229 VanDerWaalsContact C-N 3.33Å; F227-A229 PolarHBondContact O-N 3.44Å; F227-S230 PolarHBondContact O-N 2.99Å; F227-S230 VanDerWaalsContact O-N 3.16Å; F227-S230 PolarHBondContact O-OG 2.93Å; F227-L231 HydrophobicContact CD1-CD1 4.01Å; F227-L231 HydrophobicContact CE1-CD1 3.46Å; F227-L231 VanDerWaalsContact CE1-CD1 3.46Å; F227-L231 HydrophobicContact CE1-CG 4.32Å; F227-L231 HydrophobicContact CZ-CD1 3.78Å; F227-L231 HydrophobicContact CZ-CG 4.29Å; F227-L231 PolarHBondContact O-N 3.32Å; F227-L231 VanDerWaalsContact O-N 3.09Å
228E93Very high93.3Very high21 Ų2172.4 Ų72.410%0.09838%0.383CS..Hα-helixtrans-63.5-38.1177-71.3-62.1163.900112.6F189 F198 L224 S230 L231 V232F189-E228 HydrophobicContact CE2-CB 4.22Å; F198-E228 HydrophobicContact CD2-CG 3.69Å; F198-E228 HydrophobicContact CE2-CB 4.21Å; F198-E228 HydrophobicContact CE2-CG 3.54Å; L224-E228 PolarHBondContact O-N 3.23Å; L224-E228 VanDerWaalsContact O-N 3.15Å; E228-S230 VanDerWaalsContact C-N 3.3Å; E228-S230 PolarHBondContact O-N 3.19Å; E228-L231 PolarHBondContact O-N 2.85Å; E228-V232 WeakPolarHBondContact O-CG2 3.48Å; E228-V232 PolarHBondContact O-N 3.46Å
229A93.9Very high93.1Very high21 Ų2171 Ų7117%0.17438%0.375CS..Hα-helixtrans-60.6-40.7174.800000111.8F185 C225 L226 F227 V232 Q233F185-A229 HydrophobicContact CZ-CB 4.18Å; C225-A229 WeakPolarHBondContact O-CB 3.47Å; C225-A229 PolarHBondContact O-N 3.04Å; L226-A229 PolarHBondContact O-N 2.72Å; F227-A229 VanDerWaalsContact C-N 3.33Å; F227-A229 PolarHBondContact O-N 3.44Å; A229-V232 PolarHBondContact O-N 2.95Å; A229-Q233 WeakPolarHBondContact O-CG 3.15Å; A229-Q233 PolarHBondContact O-N 2.95Å
230S94.2Very high92.8Very high59 Ų5969 Ų6941%0.41337%0.37SS..Hα-helixtrans-65.4-38.6177.375.50000112.4L226 F227 E228 Q233 Q234L226-S230 PolarHBondContact O-N 2.85Å; F227-S230 PolarHBondContact O-N 2.99Å; F227-S230 VanDerWaalsContact O-N 3.16Å; F227-S230 PolarHBondContact O-OG 2.93Å; E228-S230 VanDerWaalsContact C-N 3.3Å; E228-S230 PolarHBondContact O-N 3.19Å; S230-Q233 PolarHBondContact O-N 3.27Å; S230-Q234 PolarHBondContact O-N 3.28Å; S230-Q234 VanDerWaalsContact O-N 3.09Å
231L93.2Very high92.6Very high60 Ų6072.5 Ų72.531%0.31438%0.38SS..Hα-helixtrans-64.5-44.9174.7-70.9176.3000111.8F227 E228 Q233 Q234 Q235F227-L231 HydrophobicContact CD1-CD1 4.01Å; F227-L231 HydrophobicContact CE1-CD1 3.46Å; F227-L231 VanDerWaalsContact CE1-CD1 3.46Å; F227-L231 HydrophobicContact CE1-CG 4.32Å; F227-L231 HydrophobicContact CZ-CD1 3.78Å; F227-L231 HydrophobicContact CZ-CG 4.29Å; F227-L231 PolarHBondContact O-N 3.32Å; F227-L231 VanDerWaalsContact O-N 3.09Å; E228-L231 PolarHBondContact O-N 2.85Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 3.4Å; L231-Q234 WeakPolarHBondContact O-CB 3.42Å; L231-Q234 PolarHBondContact O-N 3.3Å; L231-Q234 VanDerWaalsContact O-N 3.16Å; L231-Q235 PolarHBondContact O-N 2.89Å
232V94.2Very high92.2Very high0 Ų074 Ų740%039%0.388CS..Hα-helixtrans-63.4-39.7177.6173.60000111.1F185 L188 F189 R192 E228 A229 Q234 Q235 L236F185-V232 HydrophobicContact CD2-CB 4.4Å; F185-V232 HydrophobicContact CD2-CG1 3.62Å; F185-V232 HydrophobicContact CE2-CB 3.96Å; F185-V232 HydrophobicContact CE2-CG1 3.66Å; F185-V232 HydrophobicContact CG-CG1 4.47Å; L188-V232 HydrophobicContact CB-CG1 3.7Å; L188-V232 HydrophobicContact CD2-CG1 4.5Å; F189-V232 HydrophobicContact CB-CG1 4.47Å; F189-V232 HydrophobicContact CB-CG2 4.47Å; F189-V232 HydrophobicContact CD2-CG2 4.2Å; R192-V232 HydrophobicContact CB-CG2 4.36Å; R192-V232 HydrophobicContact CG-CG2 4.1Å; E228-V232 WeakPolarHBondContact O-CG2 3.48Å; E228-V232 PolarHBondContact O-N 3.46Å; A229-V232 PolarHBondContact O-N 2.95Å; V232-Q234 VanDerWaalsContact C-N 3.31Å; V232-Q234 PolarHBondContact O-N 3.4Å; V232-Q235 PolarHBondContact O-N 3.41Å; V232-L236 HydrophobicContact CG1-CD1 4.36Å; V232-L236 WeakPolarHBondContact O-CG 3.22Å; V232-L236 PolarHBondContact O-N 2.66Å
233Q93.9Very high91.6Very high107 Ų10777.9 Ų77.950%0.539%0.391SS..Hα-helixtrans-60.8-40174.1-74.91782.600112.3F185 A229 S230 L231 K237F185-Q233 HydrophobicContact CD2-CG 4.37Å; F185-Q233 HydrophobicContact CE2-CG 3.97Å; A229-Q233 WeakPolarHBondContact O-CG 3.15Å; A229-Q233 PolarHBondContact O-N 2.95Å; S230-Q233 PolarHBondContact O-N 3.27Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 3.4Å; Q233-K237 WeakPolarHBondContact O-CG 3.41Å; Q233-K237 PolarHBondContact O-N 2.92Å
234Q94Very high91Very high138 Ų13876.4 Ų76.465%0.64539%0.393SS*.Hα-helixtrans-66.5-41.8176.2-170.4171.9900111.7S230 L231 V232 K237 N238S230-Q234 PolarHBondContact O-N 3.28Å; S230-Q234 VanDerWaalsContact O-N 3.09Å; L231-Q234 WeakPolarHBondContact O-CB 3.42Å; L231-Q234 PolarHBondContact O-N 3.3Å; L231-Q234 VanDerWaalsContact O-N 3.16Å; V232-Q234 VanDerWaalsContact C-N 3.31Å; V232-Q234 PolarHBondContact O-N 3.4Å; Q234-K237 PolarHBondContact O-N 3.3Å; Q234-N238 PolarHBondContact O-N 3.42Å
235Q93.7Very high90.3Very high75 Ų7581.4 Ų81.435%0.3542%0.417SS..Hα-helixtrans-62.6-42.9176.6-173.9174.8-7.500112.1L188 L231 V232 K237 N238 L239L188-Q235 HydrophobicContact CD2-CB 4.3Å; L188-Q235 HydrophobicContact CD2-CG 3.85Å; L231-Q235 PolarHBondContact O-N 2.89Å; V232-Q235 PolarHBondContact O-N 3.41Å; Q235-K237 PolarHBondContact O-N 3.06Å; Q235-N238 PolarHBondContact O-N 3.2Å; Q235-L239 HydrophobicContact CG-CD1 4.42Å; Q235-L239 PolarHBondContact O-N 2.86Å; Q235-L239 VanDerWaalsContact O-N 3.08Å
236L93.1Very high89.5Confident32 Ų3280.9 Ų80.917%0.16841%0.414CS..Hα-helixtrans-60.7-42176.1-82.3172.7000113V182 P183 F185 L188 V232 N238 L239 S240V182-L236 HydrophobicContact CG1-CD2 4.34Å; P183-L236 VanDerWaalsContact O-CD2 3.27Å; P183-L236 WeakPolarHBondContact O-CD2 3.45Å; F185-L236 HydrophobicContact CB-CD1 3.71Å; F185-L236 HydrophobicContact CD2-CD1 3.7Å; F185-L236 HydrophobicContact CG-CD1 4.2Å; L188-L236 HydrophobicContact CD1-CD2 3.48Å; L188-L236 VanDerWaalsContact CD1-CD2 3.48Å; L188-L236 HydrophobicContact CD1-CG 4.18Å; L188-L236 HydrophobicContact CD2-CD2 4.08Å; L188-L236 HydrophobicContact CD2-CG 4.15Å; L188-L236 HydrophobicContact CG-CD2 4.44Å; V232-L236 HydrophobicContact CG1-CD1 4.36Å; V232-L236 WeakPolarHBondContact O-CG 3.22Å; V232-L236 PolarHBondContact O-N 2.66Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.48Å; L236-L239 PolarHBondContact O-N 3.33Å; L236-S240 WeakPolarHBondContact O-CB 3.47Å; L236-S240 PolarHBondContact O-N 3.22Å; L236-S240 PolarHBondContact O-OG 3.18Å
237K92.1Very high88.4Confident150 Ų15081 Ų8165%0.65241%0.412SS*.Hα-helixtrans-59.4-46.4177.7-75.7176.8179.6-179.80110.9Q233 Q234 Q235 L239 S240 E241Q233-K237 WeakPolarHBondContact O-CG 3.41Å; Q233-K237 PolarHBondContact O-N 2.92Å; Q234-K237 PolarHBondContact O-N 3.3Å; Q235-K237 PolarHBondContact O-N 3.06Å; K237-L239 PolarHBondContact O-N 3.36Å; K237-S240 PolarHBondContact O-N 2.95Å; K237-S240 PolarHBondContact O-OG 3.02Å; K237-E241 PolarHBondContact O-N 3.2Å
238N91.3Very high87.6Confident95 Ų9583.7 Ų83.751%0.50842%0.423SS..Hα-helixtrans-60.8-47177.9-171.1-8.1000112Q234 Q235 L236 S240 E241 I242Q234-N238 PolarHBondContact O-N 3.42Å; Q235-N238 PolarHBondContact O-N 3.2Å; L236-N238 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 3.48Å; N238-S240 VanDerWaalsContact C-N 3.31Å; N238-S240 PolarHBondContact O-N 3.31Å; N238-E241 WeakPolarHBondContact O-CB 3.48Å; N238-E241 PolarHBondContact O-N 2.63Å; N238-E241 VanDerWaalsContact O-N 3.17Å; N238-I242 WeakPolarHBondContact O-CG1 3.47Å; N238-I242 PolarHBondContact O-N 3.01Å; N238-I242 VanDerWaalsContact O-N 3.07Å
239L88.8Confident86.8Confident60 Ų6086.7 Ų86.731%0.31444%0.444SS..Hα-helixtrans-62.1-37.5176.5-70.9172000112.7V182 P183 L188 Q235 L236 K237 E241 I242 R243V182-L239 HydrophobicContact CG1-CB 4.41Å; P183-L239 HydrophobicContact CG-CD1 4.36Å; L188-L239 HydrophobicContact CD2-CD1 4.06Å; Q235-L239 HydrophobicContact CG-CD1 4.42Å; Q235-L239 PolarHBondContact O-N 2.86Å; Q235-L239 VanDerWaalsContact O-N 3.08Å; L236-L239 PolarHBondContact O-N 3.33Å; K237-L239 PolarHBondContact O-N 3.36Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-I242 PolarHBondContact O-N 3.39Å; L239-R243 PolarHBondContact O-N 3.14Å
240S86.9Confident86Confident65 Ų6587.9 Ų87.946%0.45545%0.445SS..Hα-helixtrans-67.3-33.6176.975.20000112.6L236 K237 N238 R243 S244L236-S240 WeakPolarHBondContact O-CB 3.47Å; L236-S240 PolarHBondContact O-N 3.22Å; L236-S240 PolarHBondContact O-OG 3.18Å; K237-S240 PolarHBondContact O-N 2.95Å; K237-S240 PolarHBondContact O-OG 3.02Å; N238-S240 VanDerWaalsContact C-N 3.31Å; N238-S240 PolarHBondContact O-N 3.31Å; S240-R243 PolarHBondContact O-N 3.02Å; S240-S244 PolarHBondContact O-N 2.89Å
241E86.9Confident85.1Confident113 Ų11390.1 Ų90.153%0.52845%0.452SS..Hα-helixtrans-68.1-46.8176-169.8177.1175.800110.8K237 N238 L239 R243 S244 M245K237-E241 PolarHBondContact O-N 3.2Å; N238-E241 WeakPolarHBondContact O-CB 3.48Å; N238-E241 PolarHBondContact O-N 2.63Å; N238-E241 VanDerWaalsContact O-N 3.17Å; L239-E241 VanDerWaalsContact C-N 3.31Å; E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 3.44Å; E241-S244 WeakPolarHBondContact O-CB 3.14Å; E241-S244 PolarHBondContact O-N 2.77Å; E241-S244 PolarHBondContact O-OG 3.42Å; E241-M245 HydrophobicContact CG-CE 4.17Å; E241-M245 PolarHBondContact O-N 3.3Å
242I84Confident84.1Confident87 Ų8788.2 Ų88.245%0.44644%0.442SS..Hα-helixtrans-58.4-41.5174.6-64.4169.2000110.8N238 L239 S244 M245N238-I242 WeakPolarHBondContact O-CG1 3.47Å; N238-I242 PolarHBondContact O-N 3.01Å; N238-I242 VanDerWaalsContact O-N 3.07Å; L239-I242 PolarHBondContact O-N 3.39Å; I242-S244 VanDerWaalsContact C-N 3.31Å; I242-S244 PolarHBondContact O-N 3.44Å; I242-M245 WeakPolarHBondContact O-CB 3.4Å; I242-M245 PolarHBondContact O-N 2.81Å
243R82.4Confident82.8Confident116 Ų11691.3 Ų91.344%0.43846%0.463SS..Hα-helixtrans-61.7-39.8174.8-174.6-173.2-176.1159.55111.9V182 L239 S240 E241 M245 S246V182-R243 HydrophobicContact CG2-CB 4.02Å; V182-R243 HydrophobicContact CG2-CG 4.32Å; L239-R243 PolarHBondContact O-N 3.14Å; S240-R243 PolarHBondContact O-N 3.02Å; E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 3.44Å; R243-M245 PolarHBondContact O-N 3.16Å; R243-S246 VanDerWaalsContact O-CB 3.22Å; R243-S246 WeakPolarHBondContact O-CB 3.43Å; R243-S246 PolarHBondContact O-N 2.86Å; R243-S246 PolarHBondContact O-OG 3.17Å
244S81.2Confident81.5Confident90 Ų9086.4 Ų86.463%0.62944%0.44SS*.Hα-helixtrans-63.3-20.9179.778.70000113.4S240 E241 I242 S246S240-S244 PolarHBondContact O-N 2.89Å; E241-S244 WeakPolarHBondContact O-CB 3.14Å; E241-S244 PolarHBondContact O-N 2.77Å; E241-S244 PolarHBondContact O-OG 3.42Å; I242-S244 VanDerWaalsContact C-N 3.31Å; I242-S244 PolarHBondContact O-N 3.44Å; S244-S246 VanDerWaalsContact C-N 3.28Å
245M78.9Confident80Confident133 Ų13382.4 Ų82.466%0.65543%0.427SS*.THydrogen-bonded Turntrans-78.4-10.4173.8-57.1178.9-175.700113.1E241 I242 R243E241-M245 HydrophobicContact CG-CE 4.17Å; E241-M245 PolarHBondContact O-N 3.3Å; I242-M245 WeakPolarHBondContact O-CB 3.4Å; I242-M245 PolarHBondContact O-N 2.81Å; R243-M245 PolarHBondContact O-N 3.16Å
246S75.4Confident78.3Confident38 Ų3880.4 Ų80.427%0.26642%0.424SS..SBendtrans-68.5132.5175-59.50000110.4L180 R243 S244L180-S246 WeakPolarHBondContact CD1-OG 3.22Å; R243-S246 VanDerWaalsContact O-CB 3.22Å; R243-S246 WeakPolarHBondContact O-CB 3.43Å; R243-S246 PolarHBondContact O-N 2.86Å; R243-S246 PolarHBondContact O-OG 3.17Å; S244-S246 VanDerWaalsContact C-N 3.28Å
247E70.9Confident76.4Confident118 Ų11883.7 Ų83.755%0.55144%0.435SS*.PPolyproline II helixtrans-64.1136.1-176.9-66.6-170.7164.600111.6T283E247-T283 WeakPolarHBondContact OE1-CB 2.99Å; E247-T283 WeakPolarHBondContact OE1-CG2 3.45Å; E247-T283 PolarHBondContact OE1-OG1 3.17Å; E247-T283 WeakPolarHBondContact OE2-CB 3.33Å
248K77.1Confident74.4Confident179 Ų17986.1 Ų86.178%0.77845%0.446SS*.PPolyproline II helixtrans-78.3141.5177.4-66.8179.7-177175.40109.9Y250K248-Y250 PolarHBondContact O-N 3.35Å
249P76.1Confident72.6Confident84 Ų8487 Ų8755%0.54545%0.45SS..PPolyproline II helixtrans-63.1132176.525.6-32.8000110.3T264 T265 A266P249-T264 HydrophobicContact CB-CG2 3.61Å; P249-T264 HydrophobicContact CG-CG2 4.48Å; P249-T265 WeakPolarHBondContact CA-OG1 3.35Å; P249-A266 HydrophobicContact CB-CB 4.2Å
250Y78.5Confident71.2Confident47 Ų4788 Ų8818%0.18446%0.462CS..  trans-118.7159.8171.759.5-87.2000110.4K248 I252 T265 N282 T283 S285K248-Y250 PolarHBondContact O-N 3.35Å; Y250-I252 HydrophobicContact CD2-CG2 3.75Å; Y250-I252 HydrophobicContact CE2-CG2 3.37Å; Y250-T265 HydrophobicContact CD1-CG2 4.46Å; Y250-T265 HydrophobicContact CD2-CG2 4.16Å; Y250-T265 HydrophobicContact CE1-CG2 4.19Å; Y250-T265 HydrophobicContact CE2-CG2 3.89Å; Y250-T265 HydrophobicContact CG-CG2 4.43Å; Y250-T265 PolarHBondContact N-OG1 3.03Å; Y250-T265 VanDerWaalsContact N-OG1 3.07Å; Y250-T265 VanDerWaalsContact O-CG2 3.27Å; Y250-T265 WeakPolarHBondContact O-CG2 3.22Å; Y250-T265 PolarHBondContact O-N 2.75Å; Y250-T265 PolarHBondContact O-OG1 2.87Å; Y250-N282 WeakPolarHBondContact CD2-ND2 3.42Å; Y250-N282 HydrophobicContact CE1-CB 4.32Å; Y250-N282 HydrophobicContact CE2-CB 3.97Å; Y250-N282 VanDerWaalsContact CE2-ND2 3.33Å; Y250-N282 WeakPolarHBondContact CE2-ND2 3.46Å; Y250-T283 PolarHBondContact OH-O 3.37Å; Y250-S285 PolarHBondContact OH-OG 3.06Å
251N74.8Confident69.8Low106 Ų10687.6 Ų87.657%0.56746%0.457SS*.EExtended strand (participates in β ladder)trans-81.7136.4-179.7-63.7-31.1000110.4D263 T264N251-D263 WeakPolarHBondContact CA-O 3.46Å; N251-T264 PolarHBondContact OD1-OG1 3.4Å
252I71.9Confident68.5Low19 Ų1989.7 Ų89.710%0.09747%0.465CS..EExtended strand (participates in β ladder)trans-127.2153.1172.558.4162.4000109.8Y250 V254 D263 T265 L268 I275Y250-I252 HydrophobicContact CD2-CG2 3.75Å; Y250-I252 HydrophobicContact CE2-CG2 3.37Å; I252-V254 HydrophobicContact CD1-CG2 4.27Å; I252-V254 HydrophobicContact CG1-CG2 4.14Å; I252-V254 PolarHBondContact O-N 3.38Å; I252-D263 PolarHBondContact N-O 2.95Å; I252-D263 PolarHBondContact O-N 3.27Å; I252-T265 HydrophobicContact CD1-CG2 4.18Å; I252-T265 HydrophobicContact CG1-CG2 4.05Å; I252-T265 HydrophobicContact CG2-CG2 3.88Å; I252-L268 HydrophobicContact CD1-CD1 3.54Å; I252-L268 HydrophobicContact CD1-CD2 4.08Å; I252-L268 HydrophobicContact CD1-CG 4.25Å; I252-L268 HydrophobicContact CG1-CD1 4.4Å; I252-I275 HydrophobicContact CD1-CD1 3.74Å
253C67.7Low67.6Low65 Ų6587.1 Ų87.144%0.43945%0.452SS..EExtended strand (participates in β ladder)trans-76.7119.3171.3-65.60000109.2F262C253-F262 WeakPolarHBondContact SG-CE1 3.45Å; C253-F262 VanDerWaalsContact SG-CZ 3.5Å
254V66.4Low66.6Low5 Ų583.5 Ų83.53%0.0344%0.443CS..EExtended strand (participates in β ladder)trans-105.7129.8173.9170.50000107.7I252 S260 T261 D263 L268 C273I252-V254 HydrophobicContact CD1-CG2 4.27Å; I252-V254 HydrophobicContact CG1-CG2 4.14Å; I252-V254 PolarHBondContact O-N 3.38Å; V254-S260 WeakPolarHBondContact O-CA 3.34Å; V254-T261 PolarHBondContact N-O 3.48Å; V254-T261 PolarHBondContact O-N 3.42Å; V254-D263 HydrophobicContact CB-CB 4.39Å; V254-D263 HydrophobicContact CG2-CB 3.91Å; V254-L268 HydrophobicContact CG2-CD2 3.76Å; V254-C273 WeakPolarHBondContact CG1-SG 3.19Å; V254-C273 WeakPolarHBondContact CG2-SG 3.45Å
255S61Low66Low53 Ų5379.7 Ų79.737%0.37142%0.416SS..EExtended strand (participates in β ladder)trans-94.997.5172.8-1740000108.9
256A59.3Low65.3Low34 Ų3474.4 Ų74.428%0.28139%0.393SS..EExtended strand (participates in β ladder)trans-82.5147.2161.500000108.4F258 N259A256-F258 PolarHBondContact O-N 3.3Å; A256-N259 PolarHBondContact N-O 3.36Å; A256-N259 PolarHBondContact O-N 2.62Å; A256-N259 VanDerWaalsContact O-O 3.08Å
257Y52Low64.9Low101 Ų10178.2 Ų78.240%0.39641%0.405SS..THydrogen-bonded Turntrans-40.8-27.3-164.4-162-90.6000117.3K158 E161K158-Y257 HydrophobicContact CB-CD2 3.42Å; K158-Y257 VanDerWaalsContact CB-CD2 3.42Å; K158-Y257 HydrophobicContact CB-CE2 3.53Å; K158-Y257 HydrophobicContact CD-CD2 3.95Å; K158-Y257 HydrophobicContact CD-CE2 3.23Å; K158-Y257 HydrophobicContact CG-CD2 4.37Å; K158-Y257 HydrophobicContact CG-CE2 4.05Å; K158-Y257 PolarHBondContact NZ-OH 3.02Å; E161-Y257 HydrophobicContact CG-CD1 4.33Å; E161-Y257 HydrophobicContact CG-CD2 3.61Å; E161-Y257 HydrophobicContact CG-CE2 3.89Å; E161-Y257 HydrophobicContact CG-CG 3.86Å; E161-Y257 WeakPolarHBondContact OE1-CE2 3.42Å
258F51.3Low64.6Low200 Ų20073 Ų7388%0.87738%0.381SS*.THydrogen-bonded Turntrans-115.4-14.1-175.3-149.1-101.2000115.5A256A256-F258 PolarHBondContact O-N 3.3Å
259N52.6Low63.7Low114 Ų11464.9 Ų64.961%0.6135%0.348SS*.EExtended strand (participates in β ladder)trans-162143.2179.4-142.9-4.1000112A256 T261A256-N259 PolarHBondContact N-O 3.36Å; A256-N259 PolarHBondContact O-N 2.62Å; A256-N259 VanDerWaalsContact O-O 3.08Å; N259-T261 PolarHBondContact O-N 3.35Å
260S60Low62.8Low80 Ų8064.6 Ų64.656%0.55934%0.338SS*.EExtended strand (participates in β ladder)trans-75.7112.9169.457.90000109.1V254V254-S260 WeakPolarHBondContact O-CA 3.34Å
261T58.1Low61.7Low58 Ų5863.7 Ų63.736%0.35634%0.341SS..EExtended strand (participates in β ladder)trans-105.7143.5175.350.80000109.8V254 N259 D263V254-T261 PolarHBondContact N-O 3.48Å; V254-T261 PolarHBondContact O-N 3.42Å; N259-T261 PolarHBondContact O-N 3.35Å; T261-D263 PolarHBondContact O-N 3.21Å
262F58.9Low60.8Low157 Ų15759.1 Ų59.169%0.68932%0.316SS*.EExtended strand (participates in β ladder)trans-78.7113166.9-76.7-88.4000107.3C253C253-F262 WeakPolarHBondContact SG-CE1 3.45Å; C253-F262 VanDerWaalsContact SG-CZ 3.5Å
263D64.4Low59.9Low32 Ų3259.2 Ų59.217%0.17132%0.318CS..EExtended strand (participates in β ladder)trans-117.9156.9171.9-104.7-49.6000110.8N251 I252 V254 T261 K267N251-D263 WeakPolarHBondContact CA-O 3.46Å; I252-D263 PolarHBondContact N-O 2.95Å; I252-D263 PolarHBondContact O-N 3.27Å; V254-D263 HydrophobicContact CB-CB 4.39Å; V254-D263 HydrophobicContact CG2-CB 3.91Å; T261-D263 PolarHBondContact O-N 3.21Å; D263-K267 WeakPolarHBondContact OD1-CD 3.42Å
264T61.8Low59Low41 Ų4160 Ų6025%0.25232%0.32SS..EExtended strand (participates in β ladder)trans-81.7140.9177.7-51.60000109.2P249 N251 A266 K267P249-T264 HydrophobicContact CB-CG2 3.61Å; P249-T264 HydrophobicContact CG-CG2 4.48Å; N251-T264 PolarHBondContact OD1-OG1 3.4Å; T264-A266 HydrophobicContact CG2-CB 4.35Å; T264-A266 PolarHBondContact O-N 3.07Å; T264-K267 PolarHBondContact O-N 3Å
265T69.1Low58.3Low9 Ų962.5 Ų62.56%0.05533%0.333CS..G310 helixtrans-49.9-30.8176380000114.7P249 Y250 I252 K267 L268 S285P249-T265 WeakPolarHBondContact CA-OG1 3.35Å; Y250-T265 HydrophobicContact CD1-CG2 4.46Å; Y250-T265 HydrophobicContact CD2-CG2 4.16Å; Y250-T265 HydrophobicContact CE1-CG2 4.19Å; Y250-T265 HydrophobicContact CE2-CG2 3.89Å; Y250-T265 HydrophobicContact CG-CG2 4.43Å; Y250-T265 PolarHBondContact N-OG1 3.03Å; Y250-T265 VanDerWaalsContact N-OG1 3.07Å; Y250-T265 VanDerWaalsContact O-CG2 3.27Å; Y250-T265 WeakPolarHBondContact O-CG2 3.22Å; Y250-T265 PolarHBondContact O-N 2.75Å; Y250-T265 PolarHBondContact O-OG1 2.87Å; I252-T265 HydrophobicContact CD1-CG2 4.18Å; I252-T265 HydrophobicContact CG1-CG2 4.05Å; I252-T265 HydrophobicContact CG2-CG2 3.88Å; T265-K267 VanDerWaalsContact C-N 3.32Å; T265-K267 PolarHBondContact O-N 3.47Å; T265-L268 HydrophobicContact CG2-CD1 4.28Å; T265-L268 WeakPolarHBondContact O-CB 3.18Å; T265-L268 WeakPolarHBondContact O-CD1 3.15Å; T265-L268 PolarHBondContact O-N 3.47Å; T265-S285 WeakPolarHBondContact CG2-OG 3.43Å
266A63.7Low57.4Low22 Ų2271.2 Ų71.218%0.18236%0.358CS..G310 helixtrans-67.6-27.6175.700000114.3L175 N176 P249 T264 L268L175-A266 WeakPolarHBondContact CD2-O 3.23Å; N176-A266 PolarHBondContact N-O 3.29Å; N176-A266 VanDerWaalsContact N-O 3.16Å; N176-A266 WeakPolarHBondContact O-CA 3.07Å; P249-A266 HydrophobicContact CB-CB 4.2Å; T264-A266 HydrophobicContact CG2-CB 4.35Å; T264-A266 PolarHBondContact O-N 3.07Å; A266-L268 VanDerWaalsContact C-N 3.34Å
267K66.6Low56.7Low119 Ų11978.9 Ų78.952%0.51739%0.385SS..G310 helixtrans-85-8-178.9-75.6-176.2171.9-177.30113.9L175 D263 T264 T265 G269L175-K267 HydrophobicContact CD2-CG 4.46Å; D263-K267 WeakPolarHBondContact OD1-CD 3.42Å; T264-K267 PolarHBondContact O-N 3Å; T265-K267 VanDerWaalsContact C-N 3.32Å; T265-K267 PolarHBondContact O-N 3.47Å; K267-G269 PolarHBondContact O-N 3.35Å
268L64.5Low56.5Low8 Ų877.3 Ų77.34%0.04239%0.388CS..  trans-61.3109.6-179.9-72.5163.2000110.5N176 I252 V254 T265 A266 E272 C273 W288N176-L268 HydrophobicContact CB-CB 4.25Å; N176-L268 WeakPolarHBondContact CB-O 3.43Å; I252-L268 HydrophobicContact CD1-CD1 3.54Å; I252-L268 HydrophobicContact CD1-CD2 4.08Å; I252-L268 HydrophobicContact CD1-CG 4.25Å; I252-L268 HydrophobicContact CG1-CD1 4.4Å; V254-L268 HydrophobicContact CG2-CD2 3.76Å; T265-L268 HydrophobicContact CG2-CD1 4.28Å; T265-L268 WeakPolarHBondContact O-CB 3.18Å; T265-L268 WeakPolarHBondContact O-CD1 3.15Å; T265-L268 PolarHBondContact O-N 3.47Å; A266-L268 VanDerWaalsContact C-N 3.34Å; L268-E272 WeakPolarHBondContact CA-OE2 3.4Å; L268-C273 HydrophobicContact CD2-CB 4.39Å; L268-C273 WeakPolarHBondContact CD2-SG 3.2Å; L268-W288 HydrophobicContact CD1-CZ2 4.24Å; L268-W288 HydrophobicContact CD2-CH2 4.46Å
269G59.7Low56.5Low8 Ų876 Ų768%0.08238%0.382CS..  trans-74.7157.9163.800000111.5K267 A271 E272K267-G269 PolarHBondContact O-N 3.35Å; G269-A271 PolarHBondContact O-N 2.98Å; G269-E272 PolarHBondContact N-OE2 3.46Å; G269-E272 WeakPolarHBondContact O-CB 3.4Å; G269-E272 WeakPolarHBondContact O-CG 3.36Å; G269-E272 PolarHBondContact O-N 2.87Å
270F56.7Low56.4Low78 Ų7877.4 Ų77.434%0.34240%0.399SS..THydrogen-bonded Turntrans-62.2135.8173.9-161.6-89.4000110.4F145 P146 Y160 Y173 E272F145-F270 HydrophobicContact CB-CE1 4.17Å; F145-F270 HydrophobicContact CB-CE2 4.13Å; F145-F270 HydrophobicContact CB-CZ 3.87Å; F145-F270 HydrophobicContact CD1-CB 4.29Å; F145-F270 HydrophobicContact CD1-CD1 4.19Å; F145-F270 AromaticContact CD1-CD2 3.48Å; F145-F270 HydrophobicContact CD1-CD2 3.48Å; F145-F270 VanDerWaalsContact CD1-CD2 3.48Å; F145-F270 HydrophobicContact CD1-CE1 4.42Å; F145-F270 AromaticContact CD1-CE2 3.72Å; F145-F270 HydrophobicContact CD1-CE2 3.72Å; F145-F270 AromaticContact CD1-CG 3.73Å; F145-F270 HydrophobicContact CD1-CG 3.73Å; F145-F270 HydrophobicContact CD1-CZ 4.19Å; F145-F270 HydrophobicContact CE1-CD2 4.01Å; F145-F270 HydrophobicContact CE1-CG 4.34Å; F145-F270 HydrophobicContact CG-CD2 4.4Å; F145-F270 HydrophobicContact CG-CE2 4.22Å; F145-F270 HydrophobicContact CG-CZ 4.44Å; P146-F270 VanDerWaalsContact CD-CE1 3.42Å; P146-F270 HydrophobicContact CG-CD1 3.92Å; P146-F270 HydrophobicContact CG-CE1 3.65Å; Y160-F270 WeakPolarHBondContact CE2-O 3.4Å; Y160-F270 PolarHBondContact OH-O 3.04Å; Y173-F270 HydrophobicContact CD1-CB 4.07Å; Y173-F270 HydrophobicContact CD2-CB 3.6Å; Y173-F270 HydrophobicContact CE1-CB 4.44Å; Y173-F270 HydrophobicContact CE2-CB 4.01Å; Y173-F270 HydrophobicContact CG-CB 3.62Å; F270-E272 VanDerWaalsContact C-N 3.31Å; F270-E272 PolarHBondContact O-N 2.98Å
271A55.2Low56.3Low29 Ų2978.9 Ų78.924%0.2441%0.409CS..THydrogen-bonded Turntrans66.414-176.100000116.7W157 G269 C273W157-A271 HydrophobicContact CZ2-CB 4.27Å; W157-A271 PolarHBondContact NE1-O 3.33Å; G269-A271 PolarHBondContact O-N 2.98Å; A271-C273 VanDerWaalsContact C-N 3.34Å; A271-C273 PolarHBondContact O-N 2.67Å
272E55.1Low56.5Low9 Ų979.3 Ų79.34%0.04241%0.409CS..  trans-71.4-18.9178.8-75.9-169.8160.600115.2Y160 Q166 L268 G269 F270Y160-E272 HydrophobicContact CD2-CB 4.45Å; Y160-E272 HydrophobicContact CD2-CG 3.67Å; Y160-E272 HydrophobicContact CE2-CB 4.41Å; Y160-E272 HydrophobicContact CE2-CG 3.57Å; Q166-E272 WeakPolarHBondContact CG-OE1 3.27Å; Q166-E272 PolarHBondContact NE2-OE1 2.72Å; L268-E272 WeakPolarHBondContact CA-OE2 3.4Å; G269-E272 PolarHBondContact N-OE2 3.46Å; G269-E272 WeakPolarHBondContact O-CB 3.4Å; G269-E272 WeakPolarHBondContact O-CG 3.36Å; G269-E272 PolarHBondContact O-N 2.87Å; F270-E272 VanDerWaalsContact C-N 3.31Å; F270-E272 PolarHBondContact O-N 2.98Å
273C53.3Low56.8Low21 Ų2175.6 Ų75.614%0.14240%0.4CS..  trans-137.5136.7-157.3-80.60000117.8V254 L268 A271 I275 W288V254-C273 WeakPolarHBondContact CG1-SG 3.19Å; V254-C273 WeakPolarHBondContact CG2-SG 3.45Å; L268-C273 HydrophobicContact CD2-CB 4.39Å; L268-C273 WeakPolarHBondContact CD2-SG 3.2Å; A271-C273 VanDerWaalsContact C-N 3.34Å; A271-C273 PolarHBondContact O-N 2.67Å; C273-I275 HydrophobicContact CB-CG1 4.31Å; C273-W288 HydrophobicContact CB-CH2 3.5Å; C273-W288 VanDerWaalsContact CB-CH2 3.5Å; C273-W288 HydrophobicContact CB-CZ3 3.43Å; C273-W288 VanDerWaalsContact CB-CZ3 3.43Å
274V49.5Very low56.9Low81 Ų8179.6 Ų79.649%0.49142%0.42SS..  trans-107.8109.8151.4179.90000107.4
275I51.2Low57.1Low59 Ų5979.2 Ų79.230%0.30342%0.419SS..  trans-90.9130.6178.5-62.8177.1000109.9I252 C273 W288I252-I275 HydrophobicContact CD1-CD1 3.74Å; C273-I275 HydrophobicContact CB-CG1 4.31Å; I275-W288 HydrophobicContact CD1-CD2 4.18Å; I275-W288 HydrophobicContact CD1-CE3 4.15Å; I275-W288 HydrophobicContact CD1-CH2 3.32Å; I275-W288 HydrophobicContact CD1-CZ2 3.33Å; I275-W288 HydrophobicContact CD1-CZ3 3.74Å; I275-W288 HydrophobicContact CG1-CE3 4.46Å; I275-W288 HydrophobicContact CG1-CH2 3.89Å; I275-W288 HydrophobicContact CG1-CZ2 4.37Å; I275-W288 HydrophobicContact CG1-CZ3 3.93Å
276W42.6Very low57.1Low235 Ų23580.9 Ų80.989%0.8943%0.43SS*.SBendtrans-91.1-26.1179.2-84.375.7000114.8
277K44.7Very low57.4Low195 Ų19589.3 Ų89.385%0.84847%0.466SS*.  trans-161.8113.4-176.2-145.5164.3-175.8168.50112
278C48.1Very low57.4Low68 Ų6887.9 Ų87.946%0.45946%0.457SS..  trans-91.5137.3165.2-156.60000109
279K50.2Low57.2Low173 Ų17393.9 Ų93.975%0.75249%0.486SS*.  trans-76.8129.3176.5-157.3173.4-174.2179.50107.9S281 N282K279-S281 PolarHBondContact O-N 3.43Å; K279-N282 PolarHBondContact O-N 2.92Å
280C50.5Low57.1Low144 Ų144101.9 Ų101.997%0.97352%0.524SS*.THydrogen-bonded Turntrans-51.4-13.9-172.7-85.10000117
281S57.5Low56.9Low110 Ų110102.6 Ų102.677%0.76953%0.531SS*.THydrogen-bonded Turntrans-87.8-6.9-179.1-167.30000114.1K279K279-S281 PolarHBondContact O-N 3.43Å
282N62.8Low56.2Low67 Ų67106.1 Ų106.136%0.35855%0.554SS.*SBendtrans-110.1133-174.2-65.79.8000110.4Y250 K279Y250-N282 WeakPolarHBondContact CD2-ND2 3.42Å; Y250-N282 HydrophobicContact CE1-CB 4.32Å; Y250-N282 HydrophobicContact CE2-CB 3.97Å; Y250-N282 VanDerWaalsContact CE2-ND2 3.33Å; Y250-N282 WeakPolarHBondContact CE2-ND2 3.46Å; K279-N282 PolarHBondContact O-N 2.92Å
283T65.7Low55.4Low79 Ų79111.6 Ų111.649%0.48558%0.583SS.*  trans-60.3150.6171.7-44.10000110.2E247 Y250 S285E247-T283 WeakPolarHBondContact OE1-CB 2.99Å; E247-T283 WeakPolarHBondContact OE1-CG2 3.45Å; E247-T283 PolarHBondContact OE1-OG1 3.17Å; E247-T283 WeakPolarHBondContact OE2-CB 3.33Å; Y250-T283 PolarHBondContact OH-O 3.37Å; T283-S285 PolarHBondContact O-N 3.4Å
284I67.2Low54.5Low117 Ų117116 Ų11660%0.661%0.614SS**  trans-72.6123.7177-57.8177.5000108.8C286 W288I284-C286 VanDerWaalsContact C-N 3.33Å; I284-C286 VanDerWaalsContact CG2-O 3.22Å; I284-C286 WeakPolarHBondContact CG2-O 3.19Å; I284-C286 PolarHBondContact O-N 2.95Å; I284-W288 HydrophobicContact CG2-CG 4.35Å
285S64.8Low53.5Low33 Ų33120.9 Ų120.923%0.23163%0.632CS.*  trans-70.4-21.1-168.4-32.90000115.6Y250 T265 T283Y250-S285 PolarHBondContact OH-OG 3.06Å; T265-S285 WeakPolarHBondContact CG2-OG 3.43Å; T283-S285 PolarHBondContact O-N 3.4Å
286C69.7Low52.5Low43 Ų43128.8 Ų128.829%0.29167%0.672SS.*SBendtrans-163.1178.7-177.847.50000109.6I284 W288I284-C286 VanDerWaalsContact C-N 3.33Å; I284-C286 VanDerWaalsContact CG2-O 3.22Å; I284-C286 WeakPolarHBondContact CG2-O 3.19Å; I284-C286 PolarHBondContact O-N 2.95Å; C286-W288 PolarHBondContact O-N 3.03Å; C286-W288 PolarHBondContact O-NE1 3.31Å; C286-W288 WeakPolarHBondContact SG-CZ2 3.25Å; C286-W288 PolarHBondContact SG-NE1 2.93Å
287H69Low53Low199 Ų199123.5 Ų123.592%0.92166%0.661SS**  trans-71.7125.2173.2-88.9-169.1000111.1
288W67.7Low53.4Low89 Ų89119.7 Ų119.734%0.33765%0.652SS.*  trans-118.7145.1176.7-62.585000110.6L268 C273 I275 I284 C286L268-W288 HydrophobicContact CD1-CZ2 4.24Å; L268-W288 HydrophobicContact CD2-CH2 4.46Å; C273-W288 HydrophobicContact CB-CH2 3.5Å; C273-W288 VanDerWaalsContact CB-CH2 3.5Å; C273-W288 HydrophobicContact CB-CZ3 3.43Å; C273-W288 VanDerWaalsContact CB-CZ3 3.43Å; I275-W288 HydrophobicContact CD1-CD2 4.18Å; I275-W288 HydrophobicContact CD1-CE3 4.15Å; I275-W288 HydrophobicContact CD1-CH2 3.32Å; I275-W288 HydrophobicContact CD1-CZ2 3.33Å; I275-W288 HydrophobicContact CD1-CZ3 3.74Å; I275-W288 HydrophobicContact CG1-CE3 4.46Å; I275-W288 HydrophobicContact CG1-CH2 3.89Å; I275-W288 HydrophobicContact CG1-CZ2 4.37Å; I275-W288 HydrophobicContact CG1-CZ3 3.93Å; I284-W288 HydrophobicContact CG2-CG 4.35Å; C286-W288 PolarHBondContact O-N 3.03Å; C286-W288 PolarHBondContact O-NE1 3.31Å; C286-W288 WeakPolarHBondContact SG-CZ2 3.25Å; C286-W288 PolarHBondContact SG-NE1 2.93Å
289M59.9Low53.7Low134 Ų134122.6 Ų122.666%0.6666%0.662SS**  trans-95109.3166.1-166.7173.6-86.100108.4M151M151-M289 HydrophobicContact CE-SD 4.47Å
290M58.4Low53.9Low176 Ų176119.6 Ų119.687%0.86766%0.657SS**  trans-78.1126.4175.9-81.5176.571.300110.2
291N50.8Low54.2Low93 Ų93118.1 Ų118.150%0.49764%0.637SS.*  trans-89.5119.8167.4-160.91.4000108.3L155 L293L155-N291 WeakPolarHBondContact CD2-ND2 3.3Å; N291-L293 PolarHBondContact O-N 3.07Å
292S41.6Very low53.9Low104 Ų104118.7 Ų118.773%0.72763%0.628SS**  trans-74.521.1-173.666.80000114.5S294S292-S294 PolarHBondContact O-N 2.79Å
293L38.5Very low53.3Low124 Ų124122.4 Ų122.465%0.64965%0.648SS**  trans-8442.2-177.2-82.4164.5000113N291N291-L293 PolarHBondContact O-N 3.07Å
294S33.9Very low52.4Low113 Ų113125.7 Ų125.779%0.7966%0.66SS**  trans-110.844163.473.30000111.2S292S292-S294 PolarHBondContact O-N 2.79Å
295Q28.8Very low51.1Low184 Ų184126.4 Ų126.486%0.8667%0.665SS**  trans-127.963.4160.7-78.2-155.6-18.800109.6
296I30.2Very low49.9Very low225 Ų225134.9 Ų134.9100%1.15471%0.705SS**  trans-1430153.3-53.9-178.3000107.1

Retrieved 296 of 296 residues in 421.5 ms (Link to these results)

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