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Cytochrome c oxidase subunit 2

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A059QM31, Species HUMAN (Homo sapiens, Human), Gene COX2, Length 221 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
1M92.3Very high96.9Very high90 Ų9087.8 Ų87.844%0.44355%0.552SS.*  0166.5066.2175.3-72.900109.3Q10 L133 L136 Y193M1-Q10 VanDerWaalsContact C-CD 3.44Å; M1-L133 HydrophobicContact CE-CD1 3.58Å; M1-L133 HydrophobicContact CE-CD2 3.74Å; M1-L133 HydrophobicContact CE-CG 4.23Å; M1-L133 HydrophobicContact SD-CD1 3.21Å; M1-L133 WeakPolarHBondContact SD-CD1 3.11Å; M1-L133 HydrophobicContact SD-CD2 3.93Å; M1-L133 HydrophobicContact SD-CG 4.18Å; M1-L136 HydrophobicContact CE-CD1 3.97Å; M1-Y193 HydrophobicContact CB-CD2 3.86Å; M1-Y193 HydrophobicContact CB-CG 4.44Å
2A96.8Very high97Very high50 Ų5081.3 Ų81.341%0.41351%0.513SS..  trans-67.6144.2172.100000111.1Q10A2-Q10 HydrophobicContact CB-CG 4.47Å; A2-Q10 VanDerWaalsContact N-CD 3.28Å; A2-Q10 VanDerWaalsContact N-NE2 3.18Å
3H96.6Very high97Very high125 Ų12575.2 Ų75.258%0.57947%0.474SS*.  trans-114.7164174.759.939.3000111.4A5 Q6H3-A5 PolarHBondContact O-N 3.43Å; H3-Q6 VanDerWaalsContact N-OE1 3.13Å; H3-Q6 WeakPolarHBondContact ND1-CB 3.48Å; H3-Q6 WeakPolarHBondContact O-CB 3.16Å; H3-Q6 PolarHBondContact O-N 3.29Å
4A97.3Very high97Very high99 Ų9970.1 Ų70.182%0.81844%0.442SS*.THydrogen-bonded Turntrans-56.8140.6179.100000111.6Q6A4-Q6 PolarHBondContact O-N 3.04Å
5A97.3Very high96.9Very high102 Ų10269.7 Ų69.784%0.84344%0.44SS*.THydrogen-bonded Turntrans5726-179.600000115.4H3H3-A5 PolarHBondContact O-N 3.43Å
6Q97.8Very high96.9Very high53 Ų5367.8 Ų67.825%0.24843%0.425CS..  trans-64.7138.1172.6-165.1163.53.700111.8H3 A4 L9H3-Q6 VanDerWaalsContact N-OE1 3.13Å; H3-Q6 WeakPolarHBondContact ND1-CB 3.48Å; H3-Q6 WeakPolarHBondContact O-CB 3.16Å; H3-Q6 PolarHBondContact O-N 3.29Å; A4-Q6 PolarHBondContact O-N 3.04Å; Q6-L9 PolarHBondContact NE2-O 3.19Å
7V96.7Very high96.9Very high149 Ų14964.4 Ų64.490%0.90340%0.403SS*.  trans-109.8-37.9177.5179.60000112.1
8G96.5Very high97Very high53 Ų5366.1 Ų66.155%0.54641%0.405SS..SBendtrans-96.7-168.3-177.300000114.3
9L98Very high97Very high80 Ų8066 Ų6642%0.41940%0.4SS..PPolyproline II helixtrans-65.9159.8171.7-63.4170.9000110.9Q6 M17 I21 H24Q6-L9 PolarHBondContact NE2-O 3.19Å; L9-M17 HydrophobicContact CB-CE 4.01Å; L9-M17 HydrophobicContact CD1-CE 4.04Å; L9-M17 HydrophobicContact CD2-CE 4.42Å; L9-M17 HydrophobicContact CG-CE 4.38Å; L9-I21 HydrophobicContact CB-CG1 4.27Å; L9-I21 HydrophobicContact CD1-CG1 3.85Å; L9-H24 HydrophobicContact CD1-CB 4.12Å
10Q98.2Very high97.1Very high35 Ų3565.5 Ų65.516%0.16439%0.394CS..PPolyproline II helixtrans-71.8152.9170.6-60.3-177.424.900110.5M1 A2 A12 T167M1-Q10 VanDerWaalsContact C-CD 3.44Å; A2-Q10 HydrophobicContact CB-CG 4.47Å; A2-Q10 VanDerWaalsContact N-CD 3.28Å; A2-Q10 VanDerWaalsContact N-NE2 3.18Å; Q10-A12 PolarHBondContact O-N 3.08Å; Q10-T167 HydrophobicContact CB-CG2 3.86Å
11D97.9Very high97.2Very high130 Ų13064.4 Ų64.470%0.69539%0.386SS*.PPolyproline II helixtrans-56.3128.6179.1-64.3-14.5000111.7
12A98.1Very high97.4Very high10 Ų1063.9 Ų63.98%0.08339%0.388CS..PPolyproline II helixtrans-66.2135.1-177.800000112Q10 M17 E18 I21 R188Q10-A12 PolarHBondContact O-N 3.08Å; A12-M17 HydrophobicContact CB-CB 3.72Å; A12-M17 HydrophobicContact CB-CG 3.64Å; A12-E18 HydrophobicContact CB-CB 4.25Å; A12-E18 HydrophobicContact CB-CG 3.45Å; A12-E18 VanDerWaalsContact CB-CG 3.45Å; A12-I21 HydrophobicContact CB-CD1 3.72Å; A12-R188 VanDerWaalsContact O-CZ 3.3Å; A12-R188 PolarHBondContact O-NH1 2.69Å; A12-R188 PolarHBondContact O-NH2 2.75Å
13T97.1Very high97.5Very high2 Ų263.5 Ų63.51%0.01238%0.377CS..  trans-116.6-10.4-179.4-57.80000112.2T167 L168 A186 T187 Y192T13-T167 WeakPolarHBondContact CB-O 3.38Å; T13-T167 PolarHBondContact N-O 3.21Å; T13-T167 WeakPolarHBondContact OG1-CB 3.41Å; T13-L168 HydrophobicContact CG2-CD2 3.7Å; T13-A186 HydrophobicContact CG2-CB 4.39Å; T13-T187 PolarHBondContact O-N 3.48Å; T13-T187 PolarHBondContact O-OG1 3.23Å; T13-Y192 HydrophobicContact CG2-CD1 3.9Å; T13-Y192 HydrophobicContact CG2-CD2 4.05Å; T13-Y192 HydrophobicContact CG2-CE1 3.34Å; T13-Y192 HydrophobicContact CG2-CE2 3.49Å; T13-Y192 VanDerWaalsContact CG2-CE2 3.49Å; T13-Y192 HydrophobicContact CG2-CG 4.23Å; T13-Y192 WeakPolarHBondContact CG2-OH 3.41Å; T13-Y192 WeakPolarHBondContact OG1-CE1 3.25Å
14S96.8Very high97.6Very high3 Ų361 Ų612%0.02137%0.366CS..SBendtrans-122.8155173.867.30000109.8I16 M17 E18 L168 T185S14-I16 PolarHBondContact O-N 2.67Å; S14-M17 PolarHBondContact O-N 3Å; S14-M17 VanDerWaalsContact O-N 3.15Å; S14-M17 WeakPolarHBondContact OG-CB 3.13Å; S14-M17 PolarHBondContact OG-N 2.91Å; S14-E18 PolarHBondContact O-N 3.44Å; S14-L168 VanDerWaalsContact OG-C 3.31Å; S14-L168 PolarHBondContact OG-O 3.27Å; S14-T185 WeakPolarHBondContact CA-O 3.44Å; S14-T185 WeakPolarHBondContact CB-O 3.49Å
15P96.2Very high97.7Very high64 Ų6460.6 Ų60.642%0.41635%0.35SS..Hα-helixtrans-59.8-35.9176.2-23.935.3000112.7M17 E18 E19 T185 T187P15-M17 VanDerWaalsContact C-N 3.35Å; P15-M17 PolarHBondContact O-N 3.48Å; P15-E18 WeakPolarHBondContact O-CB 3.4Å; P15-E18 PolarHBondContact O-N 3.3Å; P15-E19 PolarHBondContact O-N 3.3Å; P15-E19 VanDerWaalsContact O-N 3.12Å; P15-T185 WeakPolarHBondContact CD-O 3.34Å; P15-T187 HydrophobicContact CG-CG2 3.96Å
16I96.1Very high97.7Very high39 Ų3958.8 Ų58.820%0.232%0.324CS..Hα-helixtrans-64-40.7177-62.9-61.2000111.1S14 E18 E19 L20 M86 T87S14-I16 PolarHBondContact O-N 2.67Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 3.26Å; I16-E19 PolarHBondContact O-N 3.05Å; I16-L20 HydrophobicContact CG2-CD1 4.11Å; I16-L20 HydrophobicContact CG2-CG 4.39Å; I16-L20 WeakPolarHBondContact O-CG 3.27Å; I16-L20 PolarHBondContact O-N 3.07Å; I16-M86 HydrophobicContact CD1-CB 4.27Å; I16-T87 HydrophobicContact CG2-CG2 4.38Å
17M97.9Very high97.8Very high11 Ų1157 Ų575%0.05432%0.318CS..Hα-helixtrans-67.2-31.3177.3-17159.6-169.600112L9 A12 S14 P15 L20 I21 G169L9-M17 HydrophobicContact CB-CE 4.01Å; L9-M17 HydrophobicContact CD1-CE 4.04Å; L9-M17 HydrophobicContact CD2-CE 4.42Å; L9-M17 HydrophobicContact CG-CE 4.38Å; A12-M17 HydrophobicContact CB-CB 3.72Å; A12-M17 HydrophobicContact CB-CG 3.64Å; S14-M17 PolarHBondContact O-N 3Å; S14-M17 VanDerWaalsContact O-N 3.15Å; S14-M17 WeakPolarHBondContact OG-CB 3.13Å; S14-M17 PolarHBondContact OG-N 2.91Å; P15-M17 VanDerWaalsContact C-N 3.35Å; P15-M17 PolarHBondContact O-N 3.48Å; M17-L20 PolarHBondContact O-N 3.3Å; M17-L20 HydrophobicContact SD-CB 4.26Å; M17-L20 HydrophobicContact SD-CD1 4.15Å; M17-I21 HydrophobicContact CE-CD1 4.34Å; M17-I21 HydrophobicContact CE-CG1 4.05Å; M17-I21 WeakPolarHBondContact O-CG1 3.24Å; M17-I21 PolarHBondContact O-N 2.83Å; M17-G169 VanDerWaalsContact SD-CA 3.54Å
18E98Very high97.8Very high94 Ų9452.6 Ų52.644%0.43929%0.289SS..Hα-helixtrans-63.5-47.2172.3-66.8177.1-165.900111.1A12 S14 P15 I16 L20 I21 T22A12-E18 HydrophobicContact CB-CB 4.25Å; A12-E18 HydrophobicContact CB-CG 3.45Å; A12-E18 VanDerWaalsContact CB-CG 3.45Å; S14-E18 PolarHBondContact O-N 3.44Å; P15-E18 WeakPolarHBondContact O-CB 3.4Å; P15-E18 PolarHBondContact O-N 3.3Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 3.26Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 2.89Å; E18-I21 PolarHBondContact O-N 2.89Å; E18-T22 WeakPolarHBondContact O-CG2 3.34Å; E18-T22 PolarHBondContact O-N 2.73Å
19E98Very high97.9Very high65 Ų6555.7 Ų55.730%0.30429%0.291SS..Hα-helixtrans-62.2-35.3174.8-67.7-67.1151.700112.5P15 I16 T22 F23 I83P15-E19 PolarHBondContact O-N 3.3Å; P15-E19 VanDerWaalsContact O-N 3.12Å; I16-E19 PolarHBondContact O-N 3.05Å; E19-T22 WeakPolarHBondContact CA-OG1 3.26Å; E19-T22 PolarHBondContact O-N 2.74Å; E19-T22 PolarHBondContact O-OG1 3.31Å; E19-F23 WeakPolarHBondContact O-CB 3.22Å; E19-F23 PolarHBondContact O-N 3.33Å; E19-I83 HydrophobicContact CB-CD1 4.13Å; E19-I83 HydrophobicContact CB-CG1 4.17Å; E19-I83 WeakPolarHBondContact O-CD1 3.37Å
20L98.2Very high98Very high55 Ų5552.7 Ų52.729%0.28828%0.275SS..Hα-helixtrans-67.4-38.1175.1-72.6171.5000112.3I16 M17 E18 H24 I83I16-L20 HydrophobicContact CG2-CD1 4.11Å; I16-L20 HydrophobicContact CG2-CG 4.39Å; I16-L20 WeakPolarHBondContact O-CG 3.27Å; I16-L20 PolarHBondContact O-N 3.07Å; M17-L20 PolarHBondContact O-N 3.3Å; M17-L20 HydrophobicContact SD-CB 4.26Å; M17-L20 HydrophobicContact SD-CD1 4.15Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 2.89Å; L20-H24 VanDerWaalsContact O-CB 3.25Å; L20-H24 WeakPolarHBondContact O-CB 3.49Å; L20-H24 PolarHBondContact O-N 3.17Å; L20-I83 HydrophobicContact CD2-CG2 3.89Å; L20-I83 HydrophobicContact CG-CG2 4.37Å
21I98.6Very high97.9Very high43 Ų4355.3 Ų55.322%0.22129%0.289CS..Hα-helixtrans-65.6-45.3175.1-68.2172000110.3L9 A12 M17 E18 F23 H24 D25L9-I21 HydrophobicContact CB-CG1 4.27Å; L9-I21 HydrophobicContact CD1-CG1 3.85Å; A12-I21 HydrophobicContact CB-CD1 3.72Å; M17-I21 HydrophobicContact CE-CD1 4.34Å; M17-I21 HydrophobicContact CE-CG1 4.05Å; M17-I21 WeakPolarHBondContact O-CG1 3.24Å; M17-I21 PolarHBondContact O-N 2.83Å; E18-I21 PolarHBondContact O-N 2.89Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.42Å; I21-H24 WeakPolarHBondContact O-CB 3.42Å; I21-H24 PolarHBondContact O-N 2.8Å; I21-D25 PolarHBondContact O-N 3.4Å
22T98.3Very high98Very high79 Ų7954.3 Ų54.349%0.48528%0.279SS..Hα-helixtrans-64.8-39.117960.80000111.9E18 E19 D25 H26E18-T22 WeakPolarHBondContact O-CG2 3.34Å; E18-T22 PolarHBondContact O-N 2.73Å; E19-T22 WeakPolarHBondContact CA-OG1 3.26Å; E19-T22 PolarHBondContact O-N 2.74Å; E19-T22 PolarHBondContact O-OG1 3.31Å; T22-D25 PolarHBondContact O-N 2.85Å; T22-H26 PolarHBondContact O-N 3.46Å; T22-H26 VanDerWaalsContact O-N 3.09Å
23F98.6Very high98Very high42 Ų4259.6 Ų59.618%0.18431%0.305CS..Hα-helixtrans-66.2-41.9173.7172.5-112.1000112.7E19 I21 D25 H26 A27 I76 P79 S80 I83E19-F23 WeakPolarHBondContact O-CB 3.22Å; E19-F23 PolarHBondContact O-N 3.33Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.42Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.45Å; F23-H26 PolarHBondContact O-N 3.42Å; F23-A27 PolarHBondContact O-N 2.98Å; F23-I76 HydrophobicContact CE2-CG2 4.11Å; F23-I76 WeakPolarHBondContact CE2-O 3.42Å; F23-I76 HydrophobicContact CZ-CG2 4.04Å; F23-P79 HydrophobicContact CD2-CB 4.07Å; F23-P79 HydrophobicContact CD2-CG 4.05Å; F23-P79 HydrophobicContact CE2-CG 4.1Å; F23-S80 VanDerWaalsContact CZ-CB 3.49Å; F23-I83 HydrophobicContact CB-CD1 3.42Å; F23-I83 VanDerWaalsContact CB-CD1 3.42Å; F23-I83 HydrophobicContact CG-CD1 3.95Å
24H98.6Very high98Very high74 Ų7462.9 Ų62.934%0.34332%0.322SS..Hα-helixtrans-55.7-47.5173.8167.1-85.4000110.9L9 L20 I21 H26 A27 L28L9-H24 HydrophobicContact CD1-CB 4.12Å; L20-H24 VanDerWaalsContact O-CB 3.25Å; L20-H24 WeakPolarHBondContact O-CB 3.49Å; L20-H24 PolarHBondContact O-N 3.17Å; I21-H24 WeakPolarHBondContact O-CB 3.42Å; I21-H24 PolarHBondContact O-N 2.8Å; H24-H26 PolarHBondContact O-N 3.45Å; H24-A27 PolarHBondContact O-N 2.9Å; H24-L28 WeakPolarHBondContact O-CB 3.35Å; H24-L28 PolarHBondContact O-N 3.19Å
25D98.4Very high98.1Very high89 Ų8966.2 Ų66.248%0.47634%0.344SS..Hα-helixtrans-65.7-39.1-179.1-69.9-8.3000112.3I21 T22 F23 L28 M29I21-D25 PolarHBondContact O-N 3.4Å; T22-D25 PolarHBondContact O-N 2.85Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.45Å; D25-L28 PolarHBondContact O-N 3.34Å; D25-M29 WeakPolarHBondContact O-CB 3.34Å; D25-M29 PolarHBondContact O-N 3.22Å
26H98.5Very high98.2Very high64 Ų6469.5 Ų69.530%0.29635%0.353SS..Hα-helixtrans-60.4-47.7172.8174.468.4000112.1T22 F23 H24 I30 L75T22-H26 PolarHBondContact O-N 3.46Å; T22-H26 VanDerWaalsContact O-N 3.09Å; F23-H26 PolarHBondContact O-N 3.42Å; H24-H26 PolarHBondContact O-N 3.45Å; H26-I30 PolarHBondContact O-N 2.99Å; H26-L75 PolarHBondContact NE2-O 3.03Å
27A98.4Very high98.3Very high17 Ų1772.6 Ų72.614%0.1437%0.369CS..Hα-helixtrans-65.5-42.1177.600000111.7F23 H24 M29 I30 I31F23-A27 PolarHBondContact O-N 2.98Å; H24-A27 PolarHBondContact O-N 2.9Å; A27-M29 PolarHBondContact O-N 2.94Å; A27-I30 PolarHBondContact O-N 3.16Å; A27-I31 WeakPolarHBondContact O-CG1 3.4Å; A27-I31 PolarHBondContact O-N 2.94Å
28L98.3Very high98.3Very high56 Ų5675.8 Ų75.829%0.29339%0.389SS..Hα-helixtrans-64.9-38.6-180-175.661.6000111.9H24 D25 I30 I31 F32H24-L28 WeakPolarHBondContact O-CB 3.35Å; H24-L28 PolarHBondContact O-N 3.19Å; D25-L28 PolarHBondContact O-N 3.34Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 2.95Å; L28-I31 PolarHBondContact O-N 3.18Å; L28-F32 HydrophobicContact CD1-CD2 3.99Å; L28-F32 HydrophobicContact CD1-CE2 3.64Å; L28-F32 HydrophobicContact CD1-CZ 4.13Å; L28-F32 HydrophobicContact CD2-CD2 4.49Å; L28-F32 HydrophobicContact CD2-CE2 3.82Å; L28-F32 HydrophobicContact CG-CD2 3.75Å; L28-F32 HydrophobicContact CG-CE2 3.51Å; L28-F32 HydrophobicContact CG-CZ 4.44Å; L28-F32 WeakPolarHBondContact O-CD2 3.37Å; L28-F32 PolarHBondContact O-N 2.77Å
29M98.4Very high98.3Very high118 Ų11876.7 Ų76.758%0.58140%0.396SS*.Hα-helixtrans-56.2-46.4172.3177.5-168.864.400111.3D25 A27 F32 L33D25-M29 WeakPolarHBondContact O-CB 3.34Å; D25-M29 PolarHBondContact O-N 3.22Å; A27-M29 PolarHBondContact O-N 2.94Å; M29-F32 PolarHBondContact O-N 2.75Å; M29-L33 WeakPolarHBondContact O-CB 3.46Å; M29-L33 PolarHBondContact O-N 3.26Å
30I98.3Very high98.3Very high16 Ų1680.3 Ų80.38%0.08241%0.408CS..Hα-helixtrans-65.8-43.4178.9-65.8168.9000110.8H26 A27 L28 F32 L33 I34 I72 I76H26-I30 PolarHBondContact O-N 2.99Å; A27-I30 PolarHBondContact O-N 3.16Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 2.95Å; I30-F32 PolarHBondContact O-N 2.93Å; I30-L33 WeakPolarHBondContact O-CB 3.47Å; I30-L33 PolarHBondContact O-N 3.15Å; I30-I34 HydrophobicContact CG2-CD1 3.97Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 2.94Å; I30-I72 HydrophobicContact CG2-CG2 3.45Å; I30-I72 VanDerWaalsContact CG2-CG2 3.45Å; I30-I76 HydrophobicContact CD1-CD1 4.19Å; I30-I76 HydrophobicContact CD1-CG1 3.61Å; I30-I76 HydrophobicContact CG2-CD1 4.14Å
31I98.1Very high98.2Very high90 Ų9079.9 Ų79.946%0.46241%0.412SS..Hα-helixtrans-60.3-46.7177.1-68.8166.4000110.4A27 L28 L33 I34 C35A27-I31 WeakPolarHBondContact O-CG1 3.4Å; A27-I31 PolarHBondContact O-N 2.94Å; L28-I31 PolarHBondContact O-N 3.18Å; I31-L33 VanDerWaalsContact C-N 3.35Å; I31-L33 PolarHBondContact O-N 2.9Å; I31-I34 PolarHBondContact O-N 3.47Å; I31-C35 WeakPolarHBondContact O-CB 3.29Å; I31-C35 PolarHBondContact O-N 3.37Å; I31-C35 PolarHBondContact O-SG 2.78Å
32F98.4Very high98.2Very high109 Ų10982.3 Ų82.348%0.47843%0.425SS..Hα-helixtrans-60.3-44.3176.2-82.4-52.5000111.9L28 M29 I30 I34 C35 F36L28-F32 HydrophobicContact CD1-CD2 3.99Å; L28-F32 HydrophobicContact CD1-CE2 3.64Å; L28-F32 HydrophobicContact CD1-CZ 4.13Å; L28-F32 HydrophobicContact CD2-CD2 4.49Å; L28-F32 HydrophobicContact CD2-CE2 3.82Å; L28-F32 HydrophobicContact CG-CD2 3.75Å; L28-F32 HydrophobicContact CG-CE2 3.51Å; L28-F32 HydrophobicContact CG-CZ 4.44Å; L28-F32 WeakPolarHBondContact O-CD2 3.37Å; L28-F32 PolarHBondContact O-N 2.77Å; M29-F32 PolarHBondContact O-N 2.75Å; I30-F32 PolarHBondContact O-N 2.93Å; F32-I34 VanDerWaalsContact C-N 3.32Å; F32-I34 PolarHBondContact O-N 3.49Å; F32-C35 PolarHBondContact O-N 2.74Å; F32-F36 HydrophobicContact CB-CD2 4.26Å; F32-F36 HydrophobicContact CB-CE2 4.24Å; F32-F36 HydrophobicContact CD1-CE2 4.24Å; F32-F36 WeakPolarHBondContact O-CB 3.4Å; F32-F36 WeakPolarHBondContact O-CD2 3.32Å; F32-F36 PolarHBondContact O-N 3.16Å
33L98.1Very high98.1Very high121 Ų12184.7 Ų84.763%0.63443%0.429SS*.Hα-helixtrans-55.6-47.1176.6179.868000111.7M29 I30 I31 L37M29-L33 WeakPolarHBondContact O-CB 3.46Å; M29-L33 PolarHBondContact O-N 3.26Å; I30-L33 WeakPolarHBondContact O-CB 3.47Å; I30-L33 PolarHBondContact O-N 3.15Å; I31-L33 VanDerWaalsContact C-N 3.35Å; I31-L33 PolarHBondContact O-N 2.9Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 2.78Å
34I98.1Very high98.1Very high71 Ų7186.5 Ų86.536%0.36444%0.44SS..Hα-helixtrans-65.6-46.8178.6-64.9168.2000110.7I30 I31 F32 F36 L37 V38 I72I30-I34 HydrophobicContact CG2-CD1 3.97Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 2.94Å; I31-I34 PolarHBondContact O-N 3.47Å; F32-I34 VanDerWaalsContact C-N 3.32Å; F32-I34 PolarHBondContact O-N 3.49Å; I34-F36 VanDerWaalsContact C-N 3.34Å; I34-F36 PolarHBondContact O-N 2.9Å; I34-L37 WeakPolarHBondContact O-CB 3.23Å; I34-L37 PolarHBondContact O-N 2.97Å; I34-V38 HydrophobicContact CG2-CG2 4.32Å; I34-V38 WeakPolarHBondContact O-CG2 3.45Å; I34-V38 PolarHBondContact O-N 2.78Å; I34-I72 HydrophobicContact CD1-CD1 4.43Å; I34-I72 HydrophobicContact CD1-CG2 4.39Å
35C98.4Very high97.8Very high73 Ų7387.5 Ų87.549%0.49345%0.451SS..Hα-helixtrans-59.2-44.4178.8-73.80000111.9I31 F32 L39I31-C35 WeakPolarHBondContact O-CB 3.29Å; I31-C35 PolarHBondContact O-N 3.37Å; I31-C35 PolarHBondContact O-SG 2.78Å; F32-C35 PolarHBondContact O-N 2.74Å; C35-L39 VanDerWaalsContact O-CB 3.25Å; C35-L39 WeakPolarHBondContact O-CB 3.3Å; C35-L39 PolarHBondContact O-N 2.78Å
36F98.4Very high97.7Very high134 Ų13490.1 Ų90.159%0.58847%0.465SS*.Hα-helixtrans-65.4-41.1175.9-79.2-62.7000112.1F32 I34 L39 Y40F32-F36 HydrophobicContact CB-CD2 4.26Å; F32-F36 HydrophobicContact CB-CE2 4.24Å; F32-F36 HydrophobicContact CD1-CE2 4.24Å; F32-F36 WeakPolarHBondContact O-CB 3.4Å; F32-F36 WeakPolarHBondContact O-CD2 3.32Å; F32-F36 PolarHBondContact O-N 3.16Å; I34-F36 VanDerWaalsContact C-N 3.34Å; I34-F36 PolarHBondContact O-N 2.9Å; F36-L39 PolarHBondContact O-N 2.83Å; F36-Y40 WeakPolarHBondContact O-CB 3.47Å; F36-Y40 PolarHBondContact O-N 2.63Å
37L97.6Very high97.7Very high104 Ų10491 Ų9155%0.54547%0.474SS..Hα-helixtrans-60-48.6176.2175.665.5000111.6L33 I34 Y40 A41L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 2.78Å; I34-L37 WeakPolarHBondContact O-CB 3.23Å; I34-L37 PolarHBondContact O-N 2.97Å; L37-Y40 PolarHBondContact O-N 2.91Å; L37-A41 WeakPolarHBondContact O-CB 3.31Å; L37-A41 PolarHBondContact O-N 3.49Å
38V98.3Very high97.6Very high78 Ų7893.7 Ų93.747%0.47349%0.489SS..Hα-helixtrans-64.8-46.7179.9172.90000110.7I34 Y40 A41 L42I34-V38 HydrophobicContact CG2-CG2 4.32Å; I34-V38 WeakPolarHBondContact O-CG2 3.45Å; I34-V38 PolarHBondContact O-N 2.78Å; V38-Y40 VanDerWaalsContact C-N 3.3Å; V38-Y40 PolarHBondContact O-N 2.86Å; V38-A41 PolarHBondContact O-N 3.03Å; V38-L42 HydrophobicContact CG1-CD1 4.02Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 WeakPolarHBondContact O-CG 3.29Å; V38-L42 PolarHBondContact O-N 2.98Å
39L98.3Very high97.5Very high112 Ų112100.8 Ų100.859%0.58652%0.518SS*.Hα-helixtrans-59.9-42.5177.7-179.162.2000111.5C35 F36 L42 F43C35-L39 VanDerWaalsContact O-CB 3.25Å; C35-L39 WeakPolarHBondContact O-CB 3.3Å; C35-L39 PolarHBondContact O-N 2.78Å; F36-L39 PolarHBondContact O-N 2.83Å; L39-L42 PolarHBondContact O-N 2.97Å; L39-F43 WeakPolarHBondContact O-CB 3.39Å; L39-F43 PolarHBondContact O-N 2.91Å
40Y98Very high97.4Very high142 Ų142102.2 Ų102.256%0.55753%0.527SS*.Hα-helixtrans-64.9-44.6177.2178.2-109.7000112.2F36 L37 V38 L42 F43 L44F36-Y40 WeakPolarHBondContact O-CB 3.47Å; F36-Y40 PolarHBondContact O-N 2.63Å; L37-Y40 PolarHBondContact O-N 2.91Å; V38-Y40 VanDerWaalsContact C-N 3.3Å; V38-Y40 PolarHBondContact O-N 2.86Å; Y40-L42 PolarHBondContact O-N 3.49Å; Y40-F43 PolarHBondContact O-N 3.28Å; Y40-L44 HydrophobicContact CD1-CD1 3.88Å; Y40-L44 HydrophobicContact CD1-CG 4.46Å; Y40-L44 HydrophobicContact CE1-CD1 3.33Å; Y40-L44 HydrophobicContact CE1-CG 4.09Å; Y40-L44 HydrophobicContact CE2-CD1 4.24Å; Y40-L44 HydrophobicContact CE2-CD2 4.25Å; Y40-L44 HydrophobicContact CE2-CG 4.12Å; Y40-L44 WeakPolarHBondContact O-CG 3.46Å; Y40-L44 PolarHBondContact O-N 3.18Å
41A96.8Very high97.2Very high45 Ų45107.7 Ų107.737%0.37256%0.562SS.*Hα-helixtrans-62.4-41.7176.900000112.2L37 V38 L44 T45L37-A41 WeakPolarHBondContact O-CB 3.31Å; L37-A41 PolarHBondContact O-N 3.49Å; V38-A41 PolarHBondContact O-N 3.03Å; A41-L44 PolarHBondContact O-N 2.86Å; A41-T45 WeakPolarHBondContact O-CG2 3.11Å; A41-T45 PolarHBondContact O-N 2.89Å; A41-T45 PolarHBondContact O-OG1 2.69Å
42L97Very high96.9Very high95 Ų95109.2 Ų109.250%0.49757%0.571SS.*Hα-helixtrans-62.8-44.9173.4-72.1171.9000111.4V38 L39 Y40 L44 T45 L46V38-L42 HydrophobicContact CG1-CD1 4.02Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 WeakPolarHBondContact O-CG 3.29Å; V38-L42 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 2.97Å; Y40-L42 PolarHBondContact O-N 3.49Å; L42-L44 PolarHBondContact O-N 2.93Å; L42-T45 WeakPolarHBondContact CA-OG1 3.3Å; L42-T45 PolarHBondContact O-N 3.35Å; L42-T45 PolarHBondContact O-OG1 2.93Å; L42-T45 VanDerWaalsContact O-OG1 3.04Å; L42-L46 WeakPolarHBondContact O-CB 3.35Å; L42-L46 VanDerWaalsContact O-CG 3.22Å; L42-L46 WeakPolarHBondContact O-CG 3.29Å; L42-L46 PolarHBondContact O-N 3.34Å
43F97.8Very high96.6Very high128 Ų128110.4 Ų110.456%0.56159%0.587SS**Hα-helixtrans-59.6-45.2177.2-180-98.2000111.9L39 Y40 T47L39-F43 WeakPolarHBondContact O-CB 3.39Å; L39-F43 PolarHBondContact O-N 2.91Å; Y40-F43 PolarHBondContact O-N 3.28Å; F43-T47 HydrophobicContact CD1-CG2 4.48Å; F43-T47 HydrophobicContact CD2-CG2 4.03Å; F43-T47 HydrophobicContact CE1-CG2 4.23Å; F43-T47 HydrophobicContact CE2-CG2 3.76Å; F43-T47 HydrophobicContact CG-CG2 4.39Å; F43-T47 HydrophobicContact CZ-CG2 3.87Å; F43-T47 WeakPolarHBondContact O-CB 3.49Å; F43-T47 WeakPolarHBondContact O-CG2 3.45Å; F43-T47 PolarHBondContact O-N 3.38Å; F43-T47 VanDerWaalsContact O-N 3.14Å; F43-T47 PolarHBondContact O-OG1 3.23Å
44L97.2Very high96.4Very high80 Ų80110.7 Ų110.742%0.41959%0.589SS.*Hα-helixtrans-61.5-47.9177.9-75.1177000112.8Y40 A41 L42 L46 T47 T48Y40-L44 HydrophobicContact CD1-CD1 3.88Å; Y40-L44 HydrophobicContact CD1-CG 4.46Å; Y40-L44 HydrophobicContact CE1-CD1 3.33Å; Y40-L44 HydrophobicContact CE1-CG 4.09Å; Y40-L44 HydrophobicContact CE2-CD1 4.24Å; Y40-L44 HydrophobicContact CE2-CD2 4.25Å; Y40-L44 HydrophobicContact CE2-CG 4.12Å; Y40-L44 WeakPolarHBondContact O-CG 3.46Å; Y40-L44 PolarHBondContact O-N 3.18Å; A41-L44 PolarHBondContact O-N 2.86Å; L42-L44 PolarHBondContact O-N 2.93Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.09Å; L44-T47 PolarHBondContact O-N 3.01Å; L44-T47 PolarHBondContact O-OG1 2.79Å; L44-T48 PolarHBondContact O-N 2.97Å
45T93.8Very high95.8Very high95 Ų95115.8 Ų115.858%0.58362%0.615SS**Hα-helixtrans-67.8-32.6-17750.50000112.5A41 L42A41-T45 WeakPolarHBondContact O-CG2 3.11Å; A41-T45 PolarHBondContact O-N 2.89Å; A41-T45 PolarHBondContact O-OG1 2.69Å; L42-T45 WeakPolarHBondContact CA-OG1 3.3Å; L42-T45 PolarHBondContact O-N 3.35Å; L42-T45 PolarHBondContact O-OG1 2.93Å; L42-T45 VanDerWaalsContact O-OG1 3.04Å
46L96.4Very high95.4Very high145 Ų145116.6 Ų116.676%0.75962%0.622SS**Hα-helixtrans-82.1-22.7179.2-66.7173.9000114.1L42 L44L42-L46 WeakPolarHBondContact O-CB 3.35Å; L42-L46 VanDerWaalsContact O-CG 3.22Å; L42-L46 WeakPolarHBondContact O-CG 3.29Å; L42-L46 PolarHBondContact O-N 3.34Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.09Å
47T97.3Very high95.2Very high81 Ų81116.9 Ų116.950%0.49763%0.63SS.*Hα-helixtrans-96.7-16.6-173.953.40000113.8F43 L44F43-T47 HydrophobicContact CD1-CG2 4.48Å; F43-T47 HydrophobicContact CD2-CG2 4.03Å; F43-T47 HydrophobicContact CE1-CG2 4.23Å; F43-T47 HydrophobicContact CE2-CG2 3.76Å; F43-T47 HydrophobicContact CG-CG2 4.39Å; F43-T47 HydrophobicContact CZ-CG2 3.87Å; F43-T47 WeakPolarHBondContact O-CB 3.49Å; F43-T47 WeakPolarHBondContact O-CG2 3.45Å; F43-T47 PolarHBondContact O-N 3.38Å; F43-T47 VanDerWaalsContact O-N 3.14Å; F43-T47 PolarHBondContact O-OG1 3.23Å; L44-T47 PolarHBondContact O-N 3.01Å; L44-T47 PolarHBondContact O-OG1 2.79Å
48T96.5Very high95.1Very high74 Ų74113.6 Ų113.645%0.45462%0.617SS.*  trans-72.2138.2178.1-174.30000111.8L44 L50L44-T48 PolarHBondContact O-N 2.97Å; T48-L50 PolarHBondContact OG1-N 2.94Å
49K95.6Very high95Very high205 Ų205115 Ų11589%0.89162%0.619SS**  trans-89.1-13.2170.3-64.9-175.2-179.7-179.30112.7
50L96.2Very high94.8Very high149 Ų149116.9 Ų116.978%0.7862%0.624SS**  trans-72.1138.4179.9-59.6176.2000109.1T48T48-L50 PolarHBondContact OG1-N 2.94Å
51T94.6Very high94.6Very high131 Ų131116.1 Ų116.180%0.80463%0.628SS**  trans-119.5138.4-178.254.40000110.7
52N91.8Very high94.7Very high122 Ų122118 Ų11865%0.65263%0.629SS**  trans-139.7111.7165.6-178.815.3000107.7N54N52-N54 PolarHBondContact OD1-N 2.86Å
53T92.6Very high94.7Very high133 Ų133116.3 Ų116.382%0.81662%0.622SS**  trans-106.91.4-178.352.50000112.8
54N93.9Very high94.7Very high128 Ų128114.8 Ų114.868%0.68462%0.623SS**SBendtrans-73.2142.7176.5-65.5-34.2000109.8N52 S56N52-N54 PolarHBondContact OD1-N 2.86Å; N54-S56 PolarHBondContact O-N 2.82Å
55I86Confident94.6Very high177 Ų177117.1 Ų117.191%0.90863%0.626SS**  trans-68.5115.8172.5-63.1168.1000107.6
56S89.9Confident94.8Very high90 Ų90116.9 Ų116.963%0.62963%0.625SS**  trans-92.7147.1169.555.10000110.1N54N54-S56 PolarHBondContact O-N 2.82Å
57D93.8Very high94.9Very high141 Ų141114.6 Ų114.675%0.75461%0.613SS**  trans-59.8141.5167.3-177.237.7000110.6
58A94.7Very high94.9Very high35 Ų35115 Ų11529%0.28961%0.611SS.*  trans-115-10-170.100000113.7E60 M61 E62A58-E60 VanDerWaalsContact C-N 3.32Å; A58-E60 PolarHBondContact O-N 2.82Å; A58-M61 PolarHBondContact O-N 2.92Å; A58-E62 PolarHBondContact O-N 2.84Å
59Q96.2Very high95Very high108 Ų108114.3 Ų114.351%0.50561%0.608SS.*Hα-helixtrans-55.7-42.2-169.9-174.462.341.800113.6E62 T63Q59-E62 PolarHBondContact O-N 3.15Å; Q59-T63 PolarHBondContact O-N 2.89Å; Q59-T63 PolarHBondContact O-OG1 3.18Å
60E94.8Very high95.1Very high150 Ų150107 Ų10770%0.70159%0.586SS**Hα-helixtrans-65.2-42178.8-64-60.1148.300111.7A58 T63 V64A58-E60 VanDerWaalsContact C-N 3.32Å; A58-E60 PolarHBondContact O-N 2.82Å; E60-T63 PolarHBondContact O-N 3.39Å; E60-V64 WeakPolarHBondContact O-CG2 3.25Å; E60-V64 PolarHBondContact O-N 3.37Å
61M94.6Very high95.2Very high127 Ų127104.3 Ų104.363%0.62657%0.572SS**Hα-helixtrans-70.5-39179-165.5178.7-179.400111.4A58 T63 V64 W65A58-M61 PolarHBondContact O-N 2.92Å; M61-T63 VanDerWaalsContact C-N 3.33Å; M61-T63 PolarHBondContact O-N 3.03Å; M61-V64 PolarHBondContact O-N 2.77Å; M61-W65 HydrophobicContact CB-CE3 4.41Å; M61-W65 HydrophobicContact CB-CZ3 4.17Å; M61-W65 HydrophobicContact CE-CE3 3.93Å; M61-W65 HydrophobicContact CE-CZ3 3.72Å; M61-W65 HydrophobicContact CG-CE3 3.57Å; M61-W65 HydrophobicContact CG-CH2 4.41Å; M61-W65 HydrophobicContact CG-CZ3 3.48Å; M61-W65 VanDerWaalsContact CG-CZ3 3.48Å; M61-W65 PolarHBondContact O-N 2.67Å; M61-W65 HydrophobicContact SD-CE3 4.08Å; M61-W65 HydrophobicContact SD-CH2 4.45Å; M61-W65 HydrophobicContact SD-CZ3 3.51Å; M61-W65 VanDerWaalsContact SD-CZ3 3.51Å
62E97.4Very high95.4Very high85 Ų8599.8 Ų99.840%0.39754%0.542SS..Hα-helixtrans-58.1-46174.5-83.1178.7-163.400112A58 Q59 V64 W65 T66A58-E62 PolarHBondContact O-N 2.84Å; Q59-E62 PolarHBondContact O-N 3.15Å; E62-V64 VanDerWaalsContact C-N 3.3Å; E62-V64 PolarHBondContact O-N 3.28Å; E62-W65 VanDerWaalsContact CA-CE2 3.49Å; E62-W65 HydrophobicContact CB-CZ2 4.16Å; E62-W65 HydrophobicContact CG-CH2 3.97Å; E62-W65 HydrophobicContact CG-CZ2 3.21Å; E62-W65 VanDerWaalsContact O-CD1 3.22Å; E62-W65 PolarHBondContact O-N 3.38Å; E62-T66 WeakPolarHBondContact O-CB 3.48Å; E62-T66 PolarHBondContact O-N 2.84Å; E62-T66 VanDerWaalsContact O-N 3.07Å; E62-T66 PolarHBondContact O-OG1 3.3Å; E62-T66 VanDerWaalsContact O-OG1 3.06Å
63T97.6Very high95.7Very high59 Ų5999.6 Ų99.636%0.36254%0.54SS..Hα-helixtrans-60.2-42.6178.4-55.90000111.2Q59 E60 M61 T66 I67Q59-T63 PolarHBondContact O-N 2.89Å; Q59-T63 PolarHBondContact O-OG1 3.18Å; E60-T63 PolarHBondContact O-N 3.39Å; M61-T63 VanDerWaalsContact C-N 3.33Å; M61-T63 PolarHBondContact O-N 3.03Å; T63-T66 PolarHBondContact O-N 2.88Å; T63-I67 HydrophobicContact CG2-CD1 3.72Å; T63-I67 WeakPolarHBondContact O-CG1 3.18Å; T63-I67 PolarHBondContact O-N 3.02Å; T63-I67 VanDerWaalsContact O-N 3.08Å
64V96.9Very high96Very high95 Ų9597.1 Ų97.158%0.57653%0.525SS*.Hα-helixtrans-65.6-51179.2173.50000111.9E60 M61 E62 T66 I67 L68E60-V64 WeakPolarHBondContact O-CG2 3.25Å; E60-V64 PolarHBondContact O-N 3.37Å; M61-V64 PolarHBondContact O-N 2.77Å; E62-V64 VanDerWaalsContact C-N 3.3Å; E62-V64 PolarHBondContact O-N 3.28Å; V64-T66 PolarHBondContact O-N 2.73Å; V64-I67 PolarHBondContact O-N 2.91Å; V64-L68 VanDerWaalsContact O-CB 3.27Å; V64-L68 WeakPolarHBondContact O-CB 3.48Å; V64-L68 PolarHBondContact O-N 2.84Å
65W96.8Very high96.2Very high129 Ų12995.5 Ų95.549%0.48952%0.516SS..Hα-helixtrans-73.8-8.6-177.471.442.6000113.8M61 E62 P69M61-W65 HydrophobicContact CB-CE3 4.41Å; M61-W65 HydrophobicContact CB-CZ3 4.17Å; M61-W65 HydrophobicContact CE-CE3 3.93Å; M61-W65 HydrophobicContact CE-CZ3 3.72Å; M61-W65 HydrophobicContact CG-CE3 3.57Å; M61-W65 HydrophobicContact CG-CH2 4.41Å; M61-W65 HydrophobicContact CG-CZ3 3.48Å; M61-W65 VanDerWaalsContact CG-CZ3 3.48Å; M61-W65 PolarHBondContact O-N 2.67Å; M61-W65 HydrophobicContact SD-CE3 4.08Å; M61-W65 HydrophobicContact SD-CH2 4.45Å; M61-W65 HydrophobicContact SD-CZ3 3.51Å; M61-W65 VanDerWaalsContact SD-CZ3 3.51Å; E62-W65 VanDerWaalsContact CA-CE2 3.49Å; E62-W65 HydrophobicContact CB-CZ2 4.16Å; E62-W65 HydrophobicContact CG-CH2 3.97Å; E62-W65 HydrophobicContact CG-CZ2 3.21Å; E62-W65 VanDerWaalsContact O-CD1 3.22Å; E62-W65 PolarHBondContact O-N 3.38Å; W65-P69 VanDerWaalsContact C-CD 3.5Å; W65-P69 WeakPolarHBondContact O-CD 3.4Å; W65-P69 WeakPolarHBondContact O-CG 3.29Å
66T97.9Very high96.8Very high91 Ų9189.1 Ų89.156%0.55848%0.483SS*.Hα-helixtrans-91.3-46172.7-65.60000111E62 T63 V64 A70E62-T66 WeakPolarHBondContact O-CB 3.48Å; E62-T66 PolarHBondContact O-N 2.84Å; E62-T66 VanDerWaalsContact O-N 3.07Å; E62-T66 PolarHBondContact O-OG1 3.3Å; E62-T66 VanDerWaalsContact O-OG1 3.06Å; T63-T66 PolarHBondContact O-N 2.88Å; V64-T66 PolarHBondContact O-N 2.73Å; T66-A70 PolarHBondContact O-N 3.02Å
67I98.4Very high97.2Very high96 Ų9686.8 Ų86.849%0.49247%0.469SS..Hα-helixtrans-70.7-41.5-178.5-66174.1000111.2T63 V64 A70 I71T63-I67 HydrophobicContact CG2-CD1 3.72Å; T63-I67 WeakPolarHBondContact O-CG1 3.18Å; T63-I67 PolarHBondContact O-N 3.02Å; T63-I67 VanDerWaalsContact O-N 3.08Å; V64-I67 PolarHBondContact O-N 2.91Å; I67-A70 WeakPolarHBondContact O-CB 3.19Å; I67-A70 PolarHBondContact O-N 2.86Å; I67-I71 HydrophobicContact CG2-CD1 3.93Å; I67-I71 HydrophobicContact CG2-CG1 4.44Å; I67-I71 PolarHBondContact O-N 3.44Å; I67-I71 VanDerWaalsContact O-N 3.09Å
68L97.3Very high97.4Very high89 Ų8985.5 Ų85.547%0.46646%0.462SS..Hα-helixtrans-62.9-48.7-175.2-178.368.4000112.7V64 A70 I71 I72V64-L68 VanDerWaalsContact O-CB 3.27Å; V64-L68 WeakPolarHBondContact O-CB 3.48Å; V64-L68 PolarHBondContact O-N 2.84Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.28Å; L68-I71 PolarHBondContact O-N 3.28Å; L68-I72 HydrophobicContact CG-CD1 4.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.34Å; L68-I72 PolarHBondContact O-N 3.14Å; L68-I72 VanDerWaalsContact O-N 3.1Å
69P98.1Very high97.5Very high61 Ų6185.9 Ų85.940%0.39646%0.462SS..Hα-helixtrans-62.4-34.2173.7-26.738.9000113.6W65 I71 I72 L73W65-P69 VanDerWaalsContact C-CD 3.5Å; W65-P69 WeakPolarHBondContact O-CD 3.4Å; W65-P69 WeakPolarHBondContact O-CG 3.29Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.1Å; P69-I72 PolarHBondContact O-N 3.02Å; P69-L73 WeakPolarHBondContact O-CG 3.49Å; P69-L73 PolarHBondContact O-N 2.87Å
70A98.4Very high97.6Very high52 Ų5283 Ų8343%0.4345%0.453SS..Hα-helixtrans-61-43176.300000111.6T66 I67 L68 L73 V74T66-A70 PolarHBondContact O-N 3.02Å; I67-A70 WeakPolarHBondContact O-CB 3.19Å; I67-A70 PolarHBondContact O-N 2.86Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.28Å; A70-L73 PolarHBondContact O-N 3.28Å; A70-V74 WeakPolarHBondContact O-CG2 3.38Å; A70-V74 PolarHBondContact O-N 3.13Å
71I98.4Very high97.8Very high92 Ų9280 Ų8047%0.47244%0.442SS..Hα-helixtrans-63-44.7174.4-65.5169.4000110.7I67 L68 P69 L73 V74 L75I67-I71 HydrophobicContact CG2-CD1 3.93Å; I67-I71 HydrophobicContact CG2-CG1 4.44Å; I67-I71 PolarHBondContact O-N 3.44Å; I67-I71 VanDerWaalsContact O-N 3.09Å; L68-I71 PolarHBondContact O-N 3.28Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.1Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.9Å; I71-V74 PolarHBondContact O-N 3.22Å; I71-V74 VanDerWaalsContact O-N 3.15Å; I71-L75 HydrophobicContact CG2-CD1 4.32Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 2.93Å
72I98.3Very high97.9Very high36 Ų3681.4 Ų81.419%0.18544%0.44CS..Hα-helixtrans-58.7-43.1178.4-68.9169000111.2I30 I34 L68 P69 V74 L75 I76I30-I72 HydrophobicContact CG2-CG2 3.45Å; I30-I72 VanDerWaalsContact CG2-CG2 3.45Å; I34-I72 HydrophobicContact CD1-CD1 4.43Å; I34-I72 HydrophobicContact CD1-CG2 4.39Å; L68-I72 HydrophobicContact CG-CD1 4.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.34Å; L68-I72 PolarHBondContact O-N 3.14Å; L68-I72 VanDerWaalsContact O-N 3.1Å; P69-I72 PolarHBondContact O-N 3.02Å; I72-V74 VanDerWaalsContact C-N 3.33Å; I72-V74 PolarHBondContact O-N 2.83Å; I72-L75 PolarHBondContact O-N 2.9Å; I72-I76 HydrophobicContact CG2-CD1 4.19Å; I72-I76 PolarHBondContact O-N 3.11Å; I72-I76 VanDerWaalsContact O-N 3.12Å
73L98.4Very high97.9Very high117 Ų11777.8 Ų77.861%0.61342%0.423SS*.Hα-helixtrans-61.7-40177-71.6176.4000112P69 A70 I71 L75 I76 A77P69-L73 WeakPolarHBondContact O-CG 3.49Å; P69-L73 PolarHBondContact O-N 2.87Å; A70-L73 PolarHBondContact O-N 3.28Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.9Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.11Å; L73-I76 PolarHBondContact O-N 3.45Å; L73-A77 VanDerWaalsContact O-CB 3.24Å; L73-A77 WeakPolarHBondContact O-CB 3.32Å; L73-A77 PolarHBondContact O-N 3.1Å
74V98.4Very high97.8Very high82 Ų8279.9 Ų79.950%0.49743%0.432SS..Hα-helixtrans-62.4-41.7175173.80000111.2A70 I71 I72 I76 A77 L78A70-V74 WeakPolarHBondContact O-CG2 3.38Å; A70-V74 PolarHBondContact O-N 3.13Å; I71-V74 PolarHBondContact O-N 3.22Å; I71-V74 VanDerWaalsContact O-N 3.15Å; I72-V74 VanDerWaalsContact C-N 3.33Å; I72-V74 PolarHBondContact O-N 2.83Å; V74-I76 VanDerWaalsContact C-N 3.27Å; V74-I76 PolarHBondContact O-N 2.98Å; V74-A77 PolarHBondContact O-N 2.82Å; V74-L78 HydrophobicContact CG1-CD1 4.09Å; V74-L78 HydrophobicContact CG1-CG 4.26Å; V74-L78 WeakPolarHBondContact O-CG 3.23Å; V74-L78 PolarHBondContact O-N 3.28Å; V74-L78 VanDerWaalsContact O-N 3.09Å
75L97.8Very high97.7Very high94 Ų9482.9 Ų82.949%0.49243%0.434SS..Hα-helixtrans-65.4-26.8178.3-66.6176.1000113.7H26 I71 I72 L73 P79H26-L75 PolarHBondContact NE2-O 3.03Å; I71-L75 HydrophobicContact CG2-CD1 4.32Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 2.93Å; I72-L75 PolarHBondContact O-N 2.9Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.11Å; L75-P79 VanDerWaalsContact O-CD 3.26Å; L75-P79 WeakPolarHBondContact O-CD 3.43Å
76I98.4Very high97.5Very high42 Ų4279.9 Ų79.922%0.21543%0.426CS..Hα-helixtrans-82.6-42.1172.1-63.1170.6000110.4F23 I30 I72 L73 V74 L78 P79 S80F23-I76 HydrophobicContact CE2-CG2 4.11Å; F23-I76 WeakPolarHBondContact CE2-O 3.42Å; F23-I76 HydrophobicContact CZ-CG2 4.04Å; I30-I76 HydrophobicContact CD1-CD1 4.19Å; I30-I76 HydrophobicContact CD1-CG1 3.61Å; I30-I76 HydrophobicContact CG2-CD1 4.14Å; I72-I76 HydrophobicContact CG2-CD1 4.19Å; I72-I76 PolarHBondContact O-N 3.11Å; I72-I76 VanDerWaalsContact O-N 3.12Å; L73-I76 PolarHBondContact O-N 3.45Å; V74-I76 VanDerWaalsContact C-N 3.27Å; V74-I76 PolarHBondContact O-N 2.98Å; I76-L78 PolarHBondContact O-N 3.49Å; I76-P79 WeakPolarHBondContact O-CD 3.36Å; I76-P79 WeakPolarHBondContact O-CG 3.12Å; I76-S80 WeakPolarHBondContact O-CB 3.35Å; I76-S80 PolarHBondContact O-N 3.39Å
77A98.3Very high97.3Very high41 Ų4178.3 Ų78.334%0.33942%0.416SS..Hα-helixtrans-65.6-39.3-173.700000113.1L73 V74 S80 L81L73-A77 VanDerWaalsContact O-CB 3.24Å; L73-A77 WeakPolarHBondContact O-CB 3.32Å; L73-A77 PolarHBondContact O-N 3.1Å; V74-A77 PolarHBondContact O-N 2.82Å; A77-S80 WeakPolarHBondContact O-CB 3.38Å; A77-S80 PolarHBondContact O-N 3.17Å; A77-L81 WeakPolarHBondContact O-CB 3.25Å; A77-L81 VanDerWaalsContact O-CG 3.3Å; A77-L81 WeakPolarHBondContact O-CG 3.2Å; A77-L81 PolarHBondContact O-N 2.81Å
78L97.6Very high96.7Very high114 Ų11479.6 Ų79.660%0.59742%0.424SS*.Hα-helixtrans-59.2-54.7-177.6-70.5175000113.9V74 I76 S80 R82V74-L78 HydrophobicContact CG1-CD1 4.09Å; V74-L78 HydrophobicContact CG1-CG 4.26Å; V74-L78 WeakPolarHBondContact O-CG 3.23Å; V74-L78 PolarHBondContact O-N 3.28Å; V74-L78 VanDerWaalsContact O-N 3.09Å; I76-L78 PolarHBondContact O-N 3.49Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 3.3Å; L78-R82 PolarHBondContact O-N 2.94Å
79P97.9Very high96.1Very high44 Ų4481.2 Ų81.229%0.28643%0.429SS..Hα-helixtrans-65.7-35175.524.9-33.1000112.4F23 L75 I76 R82 I83F23-P79 HydrophobicContact CD2-CB 4.07Å; F23-P79 HydrophobicContact CD2-CG 4.05Å; F23-P79 HydrophobicContact CE2-CG 4.1Å; L75-P79 VanDerWaalsContact O-CD 3.26Å; L75-P79 WeakPolarHBondContact O-CD 3.43Å; I76-P79 WeakPolarHBondContact O-CD 3.36Å; I76-P79 WeakPolarHBondContact O-CG 3.12Å; P79-R82 PolarHBondContact O-N 3.26Å; P79-I83 WeakPolarHBondContact O-CG1 3.3Å; P79-I83 PolarHBondContact O-N 2.98Å; P79-I83 VanDerWaalsContact O-N 3.12Å
80S98.3Very high94.7Very high48 Ų4882 Ų8234%0.33643%0.433SS..Hα-helixtrans-59.4-50.2177.3-176.80000112.3F23 I76 A77 L78 R82 I83 L84F23-S80 VanDerWaalsContact CZ-CB 3.49Å; I76-S80 WeakPolarHBondContact O-CB 3.35Å; I76-S80 PolarHBondContact O-N 3.39Å; A77-S80 WeakPolarHBondContact O-CB 3.38Å; A77-S80 PolarHBondContact O-N 3.17Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 3.3Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 3Å; S80-I83 PolarHBondContact O-N 3.26Å; S80-L84 PolarHBondContact O-N 2.73Å
81L97.9Very high93.5Very high86 Ų8684 Ų8445%0.4544%0.436SS..Hα-helixtrans-64.7-37.8179.4-71173.3000111.5A77 I83 L84 Y85A77-L81 WeakPolarHBondContact O-CB 3.25Å; A77-L81 VanDerWaalsContact O-CG 3.3Å; A77-L81 WeakPolarHBondContact O-CG 3.2Å; A77-L81 PolarHBondContact O-N 2.81Å; L81-I83 PolarHBondContact O-N 2.9Å; L81-L84 HydrophobicContact CD2-CD2 4.24Å; L81-L84 WeakPolarHBondContact O-CB 3.38Å; L81-L84 PolarHBondContact O-N 3.2Å; L81-Y85 WeakPolarHBondContact O-CD2 3.05Å; L81-Y85 PolarHBondContact O-N 2.77Å; L81-Y85 VanDerWaalsContact O-N 3.1Å
82R97.1Very high93Very high156 Ų15687 Ų8759%0.58945%0.453SS*.Hα-helixtrans-57.7-48.4174.8178.5-177.2169.2-156.1-8.2111.4L78 P79 S80 L84 Y85 M86L78-R82 PolarHBondContact O-N 2.94Å; P79-R82 PolarHBondContact O-N 3.26Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 3Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 3.04Å; R82-Y85 PolarHBondContact O-N 3.43Å; R82-M86 HydrophobicContact CG-SD 4.08Å; R82-M86 WeakPolarHBondContact O-CG 3.35Å; R82-M86 PolarHBondContact O-N 3.31Å
83I97Very high92.6Very high10 Ų1086.6 Ų86.65%0.05145%0.453CS..Hα-helixtrans-66-38.1-180-64.7168.1000111.1E19 L20 F23 P79 S80 L81 Y85 M86 T87E19-I83 HydrophobicContact CB-CD1 4.13Å; E19-I83 HydrophobicContact CB-CG1 4.17Å; E19-I83 WeakPolarHBondContact O-CD1 3.37Å; L20-I83 HydrophobicContact CD2-CG2 3.89Å; L20-I83 HydrophobicContact CG-CG2 4.37Å; F23-I83 HydrophobicContact CB-CD1 3.42Å; F23-I83 VanDerWaalsContact CB-CD1 3.42Å; F23-I83 HydrophobicContact CG-CD1 3.95Å; P79-I83 WeakPolarHBondContact O-CG1 3.3Å; P79-I83 PolarHBondContact O-N 2.98Å; P79-I83 VanDerWaalsContact O-N 3.12Å; S80-I83 PolarHBondContact O-N 3.26Å; L81-I83 PolarHBondContact O-N 2.9Å; I83-Y85 PolarHBondContact O-N 3.15Å; I83-M86 PolarHBondContact O-N 3Å; I83-T87 PolarHBondContact O-N 3.15Å; I83-T87 PolarHBondContact O-OG1 3.17Å
84L96.9Very high92.3Very high102 Ų10284.9 Ų84.953%0.53445%0.451SS..Hα-helixtrans-55.4-50.7175.7178.566.3000111.3S80 L81 R82 T87 D88S80-L84 PolarHBondContact O-N 2.73Å; L81-L84 HydrophobicContact CD2-CD2 4.24Å; L81-L84 WeakPolarHBondContact O-CB 3.38Å; L81-L84 PolarHBondContact O-N 3.2Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 3.04Å; L84-T87 PolarHBondContact O-N 3.21Å; L84-D88 PolarHBondContact O-N 3.31Å
85Y95.1Very high92.1Very high158 Ų15881.1 Ų81.162%0.6243%0.428SS*.Hα-helixtrans-67.4-37.9178.2-74.5-71.1000112.6L81 R82 I83 T87 D88 E89L81-Y85 WeakPolarHBondContact O-CD2 3.05Å; L81-Y85 PolarHBondContact O-N 2.77Å; L81-Y85 VanDerWaalsContact O-N 3.1Å; R82-Y85 PolarHBondContact O-N 3.43Å; I83-Y85 PolarHBondContact O-N 3.15Å; Y85-T87 PolarHBondContact O-N 2.93Å; Y85-D88 PolarHBondContact O-N 3.2Å; Y85-E89 PolarHBondContact O-N 3.48Å; Y85-E89 VanDerWaalsContact O-N 3.11Å
86M92.6Very high91.9Very high66 Ų6677.8 Ų77.833%0.32541%0.412SS..Hα-helixtrans-62.2-30.6174.6-72176.964.200113.1I16 R82 I83I16-M86 HydrophobicContact CD1-CB 4.27Å; R82-M86 HydrophobicContact CG-SD 4.08Å; R82-M86 WeakPolarHBondContact O-CG 3.35Å; R82-M86 PolarHBondContact O-N 3.31Å; I83-M86 PolarHBondContact O-N 3Å
87T91.9Very high91.8Very high58 Ų5875.8 Ų75.836%0.35640%0.402SS..Hα-helixtrans-78.6-32.7179.3-52.80000111.6I16 I83 L84 Y85I16-T87 HydrophobicContact CG2-CG2 4.38Å; I83-T87 PolarHBondContact O-N 3.15Å; I83-T87 PolarHBondContact O-OG1 3.17Å; L84-T87 PolarHBondContact O-N 3.21Å; Y85-T87 PolarHBondContact O-N 2.93Å
88D87.5Confident91.8Very high124 Ų12476.6 Ų76.666%0.66340%0.397SS*.Hα-helixtrans-83.3-14.1-179.2-16051.3000113.1L84 Y85 V90L84-D88 PolarHBondContact O-N 3.31Å; Y85-D88 PolarHBondContact O-N 3.2Å; D88-V90 PolarHBondContact O-N 3.28Å
89E83.9Confident91.8Very high122 Ų12271.1 Ų71.157%0.5737%0.369SS*.  trans-61.4101.9172.8-83.6179.6-17500110.8Y85 N91Y85-E89 PolarHBondContact O-N 3.48Å; Y85-E89 VanDerWaalsContact O-N 3.11Å; E89-N91 PolarHBondContact O-N 2.87Å
90V69.3Low91.9Very high79 Ų7969.3 Ų69.348%0.47936%0.357SS..  trans-74.597.7175.4-177.40000108.8D88D88-V90 PolarHBondContact O-N 3.28Å
91N72Confident91.9Very high93 Ų9367 Ų6750%0.49734%0.341SS..  trans-67.7142.9166.9-63.4-48.1000109.7E89 P93E89-N91 PolarHBondContact O-N 2.87Å; N91-P93 WeakPolarHBondContact O-CD 3.44Å
92D87.4Confident91.9Very high154 Ų15463.7 Ų63.782%0.82432%0.323SS*.  trans-54.5103.4172-78.6-35.4000109.5
93P91.6Very high92Very high28 Ų2860.2 Ų60.218%0.18231%0.313CS..  trans-80.2143.9-170.332.1-30.8000110N91 P149 R151N91-P93 WeakPolarHBondContact O-CD 3.44Å; P93-P149 CarbonylContact C-O 3.52Å; P93-P149 WeakPolarHBondContact CA-O 3.37Å; P93-R151 HydrophobicContact CB-CB 3.71Å; P93-R151 VanDerWaalsContact CD-NH2 3.3Å; P93-R151 HydrophobicContact CG-CB 3.76Å
94S92.2Very high92Very high81 Ų8163.4 Ų63.457%0.56632%0.324SS*.SBendtrans-82.4-20.9177.6-51.80000112.6P149S94-P149 PolarHBondContact N-O 3.08Å
95L92.9Very high92.1Very high3 Ų360.6 Ų60.62%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-145.6132-177.9176.253.3000110.6I97 D112 Y113 P145 R151 F219L95-I97 HydrophobicContact CD1-CG1 4.19Å; L95-I97 HydrophobicContact CD2-CD1 3.86Å; L95-I97 HydrophobicContact CD2-CG1 4.38Å; L95-I97 HydrophobicContact CG-CD1 4.03Å; L95-I97 HydrophobicContact CG-CG1 4.04Å; L95-D112 HydrophobicContact CD1-CB 4.35Å; L95-Y113 HydrophobicContact CD1-CD2 3.88Å; L95-Y113 HydrophobicContact CD1-CE2 3.68Å; L95-P145 HydrophobicContact CD2-CG 4.12Å; L95-R151 PolarHBondContact O-N 3.25Å; L95-F219 HydrophobicContact CD2-CE1 4.06Å; L95-F219 HydrophobicContact CD2-CE2 4.45Å; L95-F219 HydrophobicContact CD2-CZ 3.67Å
96T94.9Very high92.3Very high25 Ų2553.1 Ų53.115%0.15328%0.278CS..EExtended strand (participates in β ladder)trans-111.9128.8171.1-55.40000111.1D112 R151 M153T96-D112 PolarHBondContact N-OD2 3.32Å; T96-R151 WeakPolarHBondContact CA-O 3.33Å; T96-R151 HydrophobicContact CG2-CB 4.38Å; T96-R151 HydrophobicContact CG2-CG 4.29Å; T96-M153 HydrophobicContact CG2-CG 3.76Å
97I96.2Very high92.6Very high0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-128137.8176.7-64.8163.1000108.9L95 Y108 E109 Y110 L144 R151 M152 M153L95-I97 HydrophobicContact CD1-CG1 4.19Å; L95-I97 HydrophobicContact CD2-CD1 3.86Å; L95-I97 HydrophobicContact CD2-CG1 4.38Å; L95-I97 HydrophobicContact CG-CD1 4.03Å; L95-I97 HydrophobicContact CG-CG1 4.04Å; I97-Y108 HydrophobicContact CG2-CD1 4.35Å; I97-E109 WeakPolarHBondContact CA-O 3.19Å; I97-Y110 HydrophobicContact CD1-CD1 3.82Å; I97-Y110 HydrophobicContact CD1-CE1 3.35Å; I97-Y110 HydrophobicContact CD1-CE2 4.33Å; I97-Y110 HydrophobicContact CG1-CD1 3.8Å; I97-Y110 HydrophobicContact CG1-CD2 4.49Å; I97-Y110 HydrophobicContact CG1-CE1 3.86Å; I97-Y110 HydrophobicContact CG1-CG 4.13Å; I97-Y110 HydrophobicContact CG2-CD2 4.37Å; I97-Y110 HydrophobicContact CG2-CE2 4.21Å; I97-L144 HydrophobicContact CD1-CD2 3Å; I97-L144 HydrophobicContact CD1-CG 4.48Å; I97-R151 PolarHBondContact N-O 3.49Å; I97-M152 HydrophobicContact CB-CE 4.33Å; I97-M152 HydrophobicContact CB-SD 3.84Å; I97-M152 HydrophobicContact CG2-CE 4.02Å; I97-M152 HydrophobicContact CG2-SD 4.17Å; I97-M152 CarbonylContact O-C 3.48Å; I97-M152 WeakPolarHBondContact O-CA 3.43Å; I97-M153 PolarHBondContact O-N 3.39Å
98K97.7Very high92.9Very high57 Ų5747.7 Ų47.725%0.24825%0.248CC..EExtended strand (participates in β ladder)trans-95.2133.7171.3-159.8-175.3-661440110.1I100 Y108 E109 M153 T155 L179K98-I100 HydrophobicContact CD-CD1 3.99Å; K98-I100 HydrophobicContact CD-CG1 3.91Å; K98-I100 HydrophobicContact CG-CG1 4.1Å; K98-Y108 CarbonylContact O-C 3.47Å; K98-Y108 VanDerWaalsContact O-CA 3.29Å; K98-Y108 WeakPolarHBondContact O-CA 3.45Å; K98-E109 HydrophobicContact CB-CB 4.08Å; K98-E109 HydrophobicContact CB-CG 4.45Å; K98-E109 WeakPolarHBondContact CD-OE2 3.21Å; K98-E109 PolarHBondContact N-O 3.22Å; K98-E109 IonicContact NZ-OE2 2.75Å; K98-E109 PolarHBondContact NZ-OE2 3.29Å; K98-E109 PolarHBondContact O-N 3.12Å; K98-M153 CarbonylContact C-O 3.51Å; K98-M153 VanDerWaalsContact CA-O 3.25Å; K98-M153 WeakPolarHBondContact CA-O 3.4Å; K98-M153 HydrophobicContact CB-CB 4.46Å; K98-M153 HydrophobicContact CG-CB 4.14Å; K98-M153 WeakPolarHBondContact CG-O 3.42Å; K98-T155 HydrophobicContact CD-CG2 4.4Å; K98-L179 HydrophobicContact CD-CD1 4.25Å; K98-L179 HydrophobicContact CG-CD1 4.27Å
99S98.3Very high93.3Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-111.4127.4166.4-173.10000109.2W106 T107 Y108 M153 I154 T155 W163S99-W106 VanDerWaalsContact OG-CE3 3.26Å; S99-T107 WeakPolarHBondContact CA-O 3.4Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.45Å; S99-M153 PolarHBondContact N-O 2.91Å; S99-I154 WeakPolarHBondContact O-CA 3.36Å; S99-T155 PolarHBondContact O-N 3.22Å; S99-W163 VanDerWaalsContact OG-CD1 3.23Å; S99-W163 PolarHBondContact OG-NE1 3.09Å
100I98.8Very high93.9Very high6 Ų638.1 Ų38.13%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-118.7119.1-178.7-52.7178.1000108.1K98 H102 T107 E109 T155 Q157K98-I100 HydrophobicContact CD-CD1 3.99Å; K98-I100 HydrophobicContact CD-CG1 3.91Å; K98-I100 HydrophobicContact CG-CG1 4.1Å; I100-H102 WeakPolarHBondContact CG2-NE2 3.06Å; I100-H102 PolarHBondContact O-CD2 3.12Å; I100-H102 VanDerWaalsContact O-CD2 3.3Å; I100-T107 PolarHBondContact N-O 3.45Å; I100-T107 PolarHBondContact O-N 2.85Å; I100-E109 HydrophobicContact CD1-CG 4.22Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.28Å; I100-T155 CarbonylContact C-O 3.59Å; I100-T155 WeakPolarHBondContact CA-O 3.46Å; I100-T155 HydrophobicContact CG1-CG2 4.08Å; I100-T155 HydrophobicContact CG2-CG2 4.45Å; I100-Q157 HydrophobicContact CG2-CB 4.28Å; I100-Q157 HydrophobicContact CG2-CG 3.62Å
101G98.7Very high94.5Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-82134.6175.800000112.5W106 T155 S156 Q157G101-W106 VanDerWaalsContact CA-CE3 3.5Å; G101-T155 PolarHBondContact N-O 3.38Å; G101-S156 WeakPolarHBondContact O-CA 3.44Å; G101-S156 PolarHBondContact O-OG 3.12Å; G101-Q157 PolarHBondContact O-N 3.18Å
102H98.7Very high95.1Very high15 Ų1537.8 Ų37.87%0.06920%0.197CC..EExtended strand (participates in β ladder)trans-132.3159.4175.6-61.4-101.5000110.8I100 W104 Y105 T107 Q157 D158 H161I100-H102 WeakPolarHBondContact CG2-NE2 3.06Å; I100-H102 PolarHBondContact O-CD2 3.12Å; I100-H102 VanDerWaalsContact O-CD2 3.3Å; H102-W104 CarbonylContact O-C 3.53Å; H102-W104 WeakPolarHBondContact O-CA 3.39Å; H102-W104 PolarHBondContact O-N 3.34Å; H102-Y105 HydrophobicContact CB-CD1 3.82Å; H102-Y105 HydrophobicContact CB-CD2 4.25Å; H102-Y105 HydrophobicContact CB-CE1 3.51Å; H102-Y105 HydrophobicContact CB-CE2 3.96Å; H102-Y105 HydrophobicContact CB-CG 4.18Å; H102-Y105 AromaticContact CD2-CE2 3.72Å; H102-Y105 AromaticContact CD2-CZ 3.98Å; H102-Y105 AromaticContact CG-CE2 3.82Å; H102-Y105 AromaticContact CG-CZ 3.59Å; H102-Y105 PolarHBondContact N-O 3.31Å; H102-Y105 AromaticContact ND1-CZ 3.93Å; H102-Y105 PolarHBondContact ND1-OH 3.2Å; H102-Y105 PolarHBondContact O-N 3.46Å; H102-Y105 VanDerWaalsContact O-O 3.08Å; H102-T107 PolarHBondContact NE2-OG1 3.04Å; H102-Q157 VanDerWaalsContact CE1-CD 3.41Å; H102-Q157 PolarHBondContact CE1-OE1 3.1Å; H102-D158 VanDerWaalsContact CA-OD2 3.25Å; H102-D158 WeakPolarHBondContact CA-OD2 3.32Å; H102-H161 VanDerWaalsContact C-CE1 3.45Å; H102-H161 PolarHBondContact O-CE1 3.31Å
103Q98.3Very high94.5Very high84 Ų8435.7 Ų35.739%0.39318%0.179SC..THydrogen-bonded Turntrans-78104.5166.5-68-173.6-5000109.9D158 V159 C200Q103-D158 PolarHBondContact N-OD2 3.48Å; Q103-V159 HydrophobicContact CG-CG2 3.86Å; Q103-C200 PolarHBondContact NE2-O 3.2Å
104W97.6Very high93.6Very high76 Ų7638.4 Ų38.429%0.28821%0.212SC..THydrogen-bonded Turncis-131.278.8-5.2-63.8-85.2000109.1H102 C200 A202 N203 M207H102-W104 CarbonylContact O-C 3.53Å; H102-W104 WeakPolarHBondContact O-CA 3.39Å; H102-W104 PolarHBondContact O-N 3.34Å; W104-C200 PolarHBondContact NE1-O 3.03Å; W104-A202 HydrophobicContact CH2-CB 3.92Å; W104-A202 HydrophobicContact CZ2-CB 3.73Å; W104-N203 HydrophobicContact CB-CB 3.7Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.83Å; W104-N203 HydrophobicContact CG-CB 3.44Å; W104-N203 VanDerWaalsContact CG-CB 3.44Å; W104-M207 HydrophobicContact CB-CB 4.38Å; W104-M207 HydrophobicContact CB-SD 4.25Å
105Y98.8Very high93.1Very high44 Ų4436.7 Ų36.717%0.17321%0.207CC..EExtended strand (participates in β ladder)trans-161.8172.6-178.667.3-85.7000110H102 T107 N119 S120 Y121H102-Y105 HydrophobicContact CB-CD1 3.82Å; H102-Y105 HydrophobicContact CB-CD2 4.25Å; H102-Y105 HydrophobicContact CB-CE1 3.51Å; H102-Y105 HydrophobicContact CB-CE2 3.96Å; H102-Y105 HydrophobicContact CB-CG 4.18Å; H102-Y105 AromaticContact CD2-CE2 3.72Å; H102-Y105 AromaticContact CD2-CZ 3.98Å; H102-Y105 AromaticContact CG-CE2 3.82Å; H102-Y105 AromaticContact CG-CZ 3.59Å; H102-Y105 PolarHBondContact N-O 3.31Å; H102-Y105 AromaticContact ND1-CZ 3.93Å; H102-Y105 PolarHBondContact ND1-OH 3.2Å; H102-Y105 PolarHBondContact O-N 3.46Å; H102-Y105 VanDerWaalsContact O-O 3.08Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.27Å; Y105-N119 HydrophobicContact CD2-CB 4.08Å; Y105-N119 HydrophobicContact CE2-CB 4.19Å; Y105-S120 WeakPolarHBondContact CB-O 3.34Å; Y105-Y121 VanDerWaalsContact CB-CE1 3.46Å; Y105-Y121 HydrophobicContact CD1-CD1 4.3Å; Y105-Y121 AromaticContact CD1-CE1 3.38Å; Y105-Y121 HydrophobicContact CD1-CE1 3.38Å; Y105-Y121 AromaticContact CD1-CZ 3.53Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.49Å; Y105-Y121 HydrophobicContact CD2-CE1 4.18Å; Y105-Y121 HydrophobicContact CD2-CE2 4.03Å; Y105-Y121 AromaticContact CD2-CZ 3.73Å; Y105-Y121 HydrophobicContact CE1-CE1 4.14Å; Y105-Y121 AromaticContact CE1-CZ 3.93Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.24Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.49Å; Y105-Y121 HydrophobicContact CG-CD1 4.01Å; Y105-Y121 AromaticContact CG-CE1 3.41Å; Y105-Y121 HydrophobicContact CG-CE1 3.41Å; Y105-Y121 VanDerWaalsContact CG-CE1 3.41Å; Y105-Y121 HydrophobicContact CG-CE2 4.07Å; Y105-Y121 AromaticContact CG-CZ 3.42Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.42Å
106W98.8Very high93.1Very high0 Ų041.1 Ų41.10%023%0.23CC..EExtended strand (participates in β ladder)trans-115.6140.8175.6-65.995000110.7S99 G101 Y108 N119 S120 H161 W163 A174 C196 M207 I209S99-W106 VanDerWaalsContact OG-CE3 3.26Å; G101-W106 VanDerWaalsContact CA-CE3 3.5Å; W106-Y108 HydrophobicContact CB-CD2 4.39Å; W106-Y108 HydrophobicContact CB-CE2 3.56Å; W106-N119 CarbonylContact O-C 3.52Å; W106-N119 WeakPolarHBondContact O-CA 3.37Å; W106-S120 PolarHBondContact N-O 3.49Å; W106-S120 PolarHBondContact O-N 2.9Å; W106-H161 HydrophobicContact CH2-CB 3.81Å; W106-H161 HydrophobicContact CZ2-CB 4.2Å; W106-W163 AromaticContact CE3-CD1 3.85Å; W106-W163 HydrophobicContact CH2-CB 3.68Å; W106-W163 HydrophobicContact CH2-CG 4.3Å; W106-W163 HydrophobicContact CZ2-CB 4.28Å; W106-W163 HydrophobicContact CZ3-CB 3.98Å; W106-W163 AromaticContact CZ3-CD1 3.83Å; W106-W163 HydrophobicContact CZ3-CG 4.34Å; W106-A174 HydrophobicContact CH2-CB 4.17Å; W106-A174 HydrophobicContact CZ3-CB 4.12Å; W106-C196 HydrophobicContact CZ2-CB 4.37Å; W106-M207 HydrophobicContact CD2-CE 4.22Å; W106-M207 HydrophobicContact CG-CE 4.48Å; W106-M207 HydrophobicContact CZ2-CE 3.85Å; W106-M207 PolarHBondContact NE1-O 3.21Å; W106-I209 HydrophobicContact CD2-CG1 4.5Å; W106-I209 HydrophobicContact CG-CG1 4.42Å; W106-I209 HydrophobicContact CZ2-CD1 4.1Å
107T98.8Very high93.2Very high10 Ų1044.6 Ų44.66%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-107.8138.6166.9-61.80000108.9S99 I100 H102 Y105 I117 F118 N119S99-T107 WeakPolarHBondContact CA-O 3.4Å; I100-T107 PolarHBondContact N-O 3.45Å; I100-T107 PolarHBondContact O-N 2.85Å; H102-T107 PolarHBondContact NE2-OG1 3.04Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.27Å; T107-I117 HydrophobicContact CG2-CG2 3.67Å; T107-F118 WeakPolarHBondContact CA-O 3.31Å; T107-N119 PolarHBondContact OG1-OD1 2.96Å
108Y98.3Very high93.3Very high0 Ų046.5 Ų46.50%026%0.255CS..EExtended strand (participates in β ladder)trans-118.8134.8176.8-63.8-85.4000110.5I97 K98 S99 W106 I117 F118 V142 M152 W163I97-Y108 HydrophobicContact CG2-CD1 4.35Å; K98-Y108 CarbonylContact O-C 3.47Å; K98-Y108 VanDerWaalsContact O-CA 3.29Å; K98-Y108 WeakPolarHBondContact O-CA 3.45Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.45Å; W106-Y108 HydrophobicContact CB-CD2 4.39Å; W106-Y108 HydrophobicContact CB-CE2 3.56Å; Y108-I117 WeakPolarHBondContact O-CA 3.36Å; Y108-F118 AromaticContact CD2-CE2 3.92Å; Y108-F118 HydrophobicContact CD2-CE2 3.92Å; Y108-F118 HydrophobicContact CD2-CZ 4.35Å; Y108-F118 HydrophobicContact CG-CE2 4.4Å; Y108-F118 HydrophobicContact CG-CZ 4.39Å; Y108-F118 PolarHBondContact N-O 3.38Å; Y108-F118 PolarHBondContact O-N 3.32Å; Y108-F118 VanDerWaalsContact O-N 3.16Å; Y108-V142 HydrophobicContact CD1-CG1 4.23Å; Y108-V142 HydrophobicContact CD1-CG2 3.68Å; Y108-V142 HydrophobicContact CD2-CG2 3.47Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.47Å; Y108-V142 HydrophobicContact CE1-CG1 4.47Å; Y108-V142 HydrophobicContact CE1-CG2 3.5Å; Y108-V142 VanDerWaalsContact CE1-CG2 3.5Å; Y108-V142 HydrophobicContact CE2-CG2 3.28Å; Y108-V142 HydrophobicContact CG-CG2 3.66Å; Y108-M152 HydrophobicContact CD1-CE 4.41Å; Y108-M152 HydrophobicContact CE1-CE 4.28Å; Y108-W163 AromaticContact CE1-NE1 3.61Å; Y108-W163 AromaticContact CZ-NE1 3.73Å; Y108-W163 PolarHBondContact OH-NE1 3.43Å
109E97.5Very high93.3Very high36 Ų3646.6 Ų46.617%0.16826%0.258CS..EExtended strand (participates in β ladder)trans-121.3120.2177.9-48.7-178.716000110I97 K98 I100 T111 L116 I117I97-E109 WeakPolarHBondContact CA-O 3.19Å; K98-E109 HydrophobicContact CB-CB 4.08Å; K98-E109 HydrophobicContact CB-CG 4.45Å; K98-E109 WeakPolarHBondContact CD-OE2 3.21Å; K98-E109 PolarHBondContact N-O 3.22Å; K98-E109 IonicContact NZ-OE2 2.75Å; K98-E109 PolarHBondContact NZ-OE2 3.29Å; K98-E109 PolarHBondContact O-N 3.12Å; I100-E109 HydrophobicContact CD1-CG 4.22Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.28Å; E109-T111 HydrophobicContact CB-CG2 4.5Å; E109-L116 WeakPolarHBondContact CA-O 3.41Å; E109-I117 HydrophobicContact CB-CG1 4.18Å; E109-I117 HydrophobicContact CG-CD1 4.24Å; E109-I117 HydrophobicContact CG-CG1 3.98Å; E109-I117 HydrophobicContact CG-CG2 4.24Å
110Y95.4Very high93.3Very high10 Ų1046.7 Ų46.74%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-97.988.7173.5-70.3-115.8000107.8I97 D112 G115 L116 F118 V142 V143 L144 F219I97-Y110 HydrophobicContact CD1-CD1 3.82Å; I97-Y110 HydrophobicContact CD1-CE1 3.35Å; I97-Y110 HydrophobicContact CD1-CE2 4.33Å; I97-Y110 HydrophobicContact CG1-CD1 3.8Å; I97-Y110 HydrophobicContact CG1-CD2 4.49Å; I97-Y110 HydrophobicContact CG1-CE1 3.86Å; I97-Y110 HydrophobicContact CG1-CG 4.13Å; I97-Y110 HydrophobicContact CG2-CD2 4.37Å; I97-Y110 HydrophobicContact CG2-CE2 4.21Å; Y110-D112 VanDerWaalsContact C-N 3.34Å; Y110-G115 WeakPolarHBondContact O-CA 3.4Å; Y110-G115 PolarHBondContact O-N 3.26Å; Y110-L116 HydrophobicContact CD2-CD2 4.33Å; Y110-L116 HydrophobicContact CG-CD2 4.45Å; Y110-L116 PolarHBondContact N-O 3.01Å; Y110-L116 PolarHBondContact O-N 3.2Å; Y110-F118 HydrophobicContact CD2-CE1 4.02Å; Y110-F118 AromaticContact CE2-CE1 3.48Å; Y110-F118 HydrophobicContact CE2-CE1 3.48Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.48Å; Y110-F118 AromaticContact CE2-CZ 3.9Å; Y110-F118 HydrophobicContact CE2-CZ 3.9Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.24Å; Y110-V143 PolarHBondContact OH-N 3.48Å; Y110-V143 PolarHBondContact OH-O 3.44Å; Y110-L144 HydrophobicContact CE1-CD2 4.42Å; Y110-F219 HydrophobicContact CD1-CZ 4.34Å; Y110-F219 AromaticContact CE1-CE2 3.98Å; Y110-F219 HydrophobicContact CE1-CE2 3.98Å; Y110-F219 HydrophobicContact CE1-CZ 4.11Å
111T82.5Confident93.3Very high75 Ų7550.8 Ų50.846%0.4627%0.274SS..THydrogen-bonded Turntrans-72.6-29.3-173.550.10000112.9E109 Y113E109-T111 HydrophobicContact CB-CG2 4.5Å; T111-Y113 VanDerWaalsContact C-N 3.33Å; T111-Y113 PolarHBondContact O-N 3.48Å
112D83.4Confident93.3Very high89 Ų8952.5 Ų52.548%0.47628%0.283SS..THydrogen-bonded Turntrans-76.1-22.9-174.9-59.3-16.1000112.2L95 T96 Y110L95-D112 HydrophobicContact CD1-CB 4.35Å; T96-D112 PolarHBondContact N-OD2 3.32Å; Y110-D112 VanDerWaalsContact C-N 3.34Å
113Y75Confident93.3Very high111 Ų11153.6 Ų53.644%0.43529%0.289SS..THydrogen-bonded Turntrans-116.763-176.1-68.9-83.5000112.4L95 T111 G115 F219L95-Y113 HydrophobicContact CD1-CD2 3.88Å; L95-Y113 HydrophobicContact CD1-CE2 3.68Å; T111-Y113 VanDerWaalsContact C-N 3.33Å; T111-Y113 PolarHBondContact O-N 3.48Å; Y113-G115 VanDerWaalsContact C-N 3.32Å; Y113-G115 PolarHBondContact O-N 2.87Å; Y113-F219 HydrophobicContact CD2-CE1 4.5Å; Y113-F219 AromaticContact CE2-CE1 3.9Å; Y113-F219 HydrophobicContact CE2-CE1 3.9Å; Y113-F219 HydrophobicContact CE2-CZ 4.33Å
114G72.7Confident93.2Very high85 Ų8552.2 Ų52.288%0.87629%0.288SS*.THydrogen-bonded Turntrans75.214.5169.100000115.6
115G81.8Confident93Very high44 Ų4452.6 Ų52.645%0.45430%0.3SS..THydrogen-bonded Turntrans72.138.3174.900000113.6Y110 Y113 I117Y110-G115 WeakPolarHBondContact O-CA 3.4Å; Y110-G115 PolarHBondContact O-N 3.26Å; Y113-G115 VanDerWaalsContact C-N 3.32Å; Y113-G115 PolarHBondContact O-N 2.87Å; G115-I117 PolarHBondContact O-N 3.39Å
116L92.9Very high92.8Very high97 Ų9758 Ų5851%0.50833%0.331SS..EExtended strand (participates in β ladder)trans-62.6127171.3171.171.1000109.6E109 Y110 F118E109-L116 WeakPolarHBondContact CA-O 3.41Å; Y110-L116 HydrophobicContact CD2-CD2 4.33Å; Y110-L116 HydrophobicContact CG-CD2 4.45Å; Y110-L116 PolarHBondContact N-O 3.01Å; Y110-L116 PolarHBondContact O-N 3.2Å; L116-F118 HydrophobicContact CD2-CD1 4.46Å; L116-F118 HydrophobicContact CD2-CE1 4.46Å; L116-F118 HydrophobicContact CG-CD1 4.29Å
117I96.9Very high92.7Very high98 Ų9865.2 Ų65.250%0.50336%0.363SS..EExtended strand (participates in β ladder)trans-133.4132.4179-56.4175.7000108.8T107 Y108 E109 G115T107-I117 HydrophobicContact CG2-CG2 3.67Å; Y108-I117 WeakPolarHBondContact O-CA 3.36Å; E109-I117 HydrophobicContact CB-CG1 4.18Å; E109-I117 HydrophobicContact CG-CD1 4.24Å; E109-I117 HydrophobicContact CG-CG1 3.98Å; E109-I117 HydrophobicContact CG-CG2 4.24Å; G115-I117 PolarHBondContact O-N 3.39Å
118F97.9Very high92.5Very high39 Ų3967 Ų6717%0.17137%0.371CS..EExtended strand (participates in β ladder)trans-147.6159.8173.662.3-91000112T107 Y108 Y110 L116 N140T107-F118 WeakPolarHBondContact CA-O 3.31Å; Y108-F118 AromaticContact CD2-CE2 3.92Å; Y108-F118 HydrophobicContact CD2-CE2 3.92Å; Y108-F118 HydrophobicContact CD2-CZ 4.35Å; Y108-F118 HydrophobicContact CG-CE2 4.4Å; Y108-F118 HydrophobicContact CG-CZ 4.39Å; Y108-F118 PolarHBondContact N-O 3.38Å; Y108-F118 PolarHBondContact O-N 3.32Å; Y108-F118 VanDerWaalsContact O-N 3.16Å; Y110-F118 HydrophobicContact CD2-CE1 4.02Å; Y110-F118 AromaticContact CE2-CE1 3.48Å; Y110-F118 HydrophobicContact CE2-CE1 3.48Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.48Å; Y110-F118 AromaticContact CE2-CZ 3.9Å; Y110-F118 HydrophobicContact CE2-CZ 3.9Å; L116-F118 HydrophobicContact CD2-CD1 4.46Å; L116-F118 HydrophobicContact CD2-CE1 4.46Å; L116-F118 HydrophobicContact CG-CD1 4.29Å; F118-N140 HydrophobicContact CD2-CB 3.68Å; F118-N140 HydrophobicContact CE2-CB 4.03Å
119N98.6Very high92.4Very high60 Ų6073.9 Ų73.932%0.32140%0.404SS..EExtended strand (participates in β ladder)trans-101146.7175-60.3-27.7000109.7Y105 W106 T107 Y121 N140Y105-N119 HydrophobicContact CD2-CB 4.08Å; Y105-N119 HydrophobicContact CE2-CB 4.19Å; W106-N119 CarbonylContact O-C 3.52Å; W106-N119 WeakPolarHBondContact O-CA 3.37Å; T107-N119 PolarHBondContact OG1-OD1 2.96Å; N119-Y121 HydrophobicContact CB-CD2 4.03Å; N119-Y121 HydrophobicContact CB-CE2 3.52Å; N119-N140 WeakPolarHBondContact O-CB 3.17Å; N119-N140 PolarHBondContact O-ND2 2.91Å
120S98.6Very high92.4Very high1 Ų179 Ų791%0.00744%0.44CS..EExtended strand (participates in β ladder)trans-123.1108.4178.6-172.60000108.7Y105 W106 V138 D139 N140Y105-S120 WeakPolarHBondContact CB-O 3.34Å; W106-S120 PolarHBondContact N-O 3.49Å; W106-S120 PolarHBondContact O-N 2.9Å; S120-V138 WeakPolarHBondContact OG-CB 3.47Å; S120-D139 WeakPolarHBondContact CA-OD1 3.43Å; S120-N140 VanDerWaalsContact CB-O 3.3Å; S120-N140 WeakPolarHBondContact CB-O 3.44Å; S120-N140 PolarHBondContact OG-O 3.46Å
121Y98.7Very high92.3Very high92 Ų9282.1 Ų82.136%0.36148%0.475SS..  trans-109.2146.4178.1-70.8-92.8000110.3Y105 N119 L123 V138 D139Y105-Y121 VanDerWaalsContact CB-CE1 3.46Å; Y105-Y121 HydrophobicContact CD1-CD1 4.3Å; Y105-Y121 AromaticContact CD1-CE1 3.38Å; Y105-Y121 HydrophobicContact CD1-CE1 3.38Å; Y105-Y121 AromaticContact CD1-CZ 3.53Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.49Å; Y105-Y121 HydrophobicContact CD2-CE1 4.18Å; Y105-Y121 HydrophobicContact CD2-CE2 4.03Å; Y105-Y121 AromaticContact CD2-CZ 3.73Å; Y105-Y121 HydrophobicContact CE1-CE1 4.14Å; Y105-Y121 AromaticContact CE1-CZ 3.93Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.24Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.49Å; Y105-Y121 HydrophobicContact CG-CD1 4.01Å; Y105-Y121 AromaticContact CG-CE1 3.41Å; Y105-Y121 HydrophobicContact CG-CE1 3.41Å; Y105-Y121 VanDerWaalsContact CG-CE1 3.41Å; Y105-Y121 HydrophobicContact CG-CE2 4.07Å; Y105-Y121 AromaticContact CG-CZ 3.42Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.42Å; N119-Y121 HydrophobicContact CB-CD2 4.03Å; N119-Y121 HydrophobicContact CB-CE2 3.52Å; Y121-L123 PolarHBondContact O-N 3.05Å; Y121-V138 CarbonylContact O-C 3.52Å; Y121-V138 WeakPolarHBondContact O-CA 3.32Å; Y121-V138 VanDerWaalsContact O-CB 3.29Å; Y121-V138 WeakPolarHBondContact O-CB 3.41Å; Y121-D139 PolarHBondContact N-OD1 3.28Å; Y121-D139 PolarHBondContact O-N 3.09Å
122M98.5Very high93Very high36 Ų3681.1 Ų81.118%0.17747%0.467CS..BIsolated β-bridgetrans-60.4134.4170.2-170.9-174.772.700110.9P124 L135 F206 P208M122-P124 VanDerWaalsContact O-CD 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.37Å; M122-L135 HydrophobicContact CE-CD2 4.22Å; M122-L135 VanDerWaalsContact SD-CA 3.6Å; M122-L135 HydrophobicContact SD-CB 4.14Å; M122-L135 HydrophobicContact SD-CD2 3.87Å; M122-F206 WeakPolarHBondContact CB-O 3.35Å; M122-F206 HydrophobicContact CE-CB 3.71Å; M122-F206 HydrophobicContact CE-CD1 3.84Å; M122-F206 HydrophobicContact CE-CG 4.04Å; M122-F206 HydrophobicContact SD-CB 3.72Å; M122-F206 HydrophobicContact SD-CD1 3.83Å; M122-F206 HydrophobicContact SD-CG 4.24Å; M122-P208 HydrophobicContact CB-CG 4.02Å; M122-P208 HydrophobicContact CG-CG 3.97Å
123L97.6Very high93.6Very high38 Ų3878.9 Ų78.920%0.19946%0.455CS..PPolyproline II helixtrans-68123.9171.8-72.5177.1000110.6Y121 L128 D137 D139Y121-L123 PolarHBondContact O-N 3.05Å; L123-L128 HydrophobicContact CB-CD2 3.86Å; L123-D137 HydrophobicContact CD1-CB 4.11Å; L123-D137 PolarHBondContact N-O 3.43Å; L123-D139 HydrophobicContact CD2-CB 4.08Å
124P96.5Very high94.7Very high56 Ų5681.5 Ų81.536%0.36446%0.464SS..PPolyproline II helixtrans-63.9150.7173.1-20.931.1000111.8M122 L126 F127M122-P124 VanDerWaalsContact O-CD 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-L126 PolarHBondContact O-N 3.42Å; P124-F127 HydrophobicContact CB-CD2 3.9Å; P124-F127 HydrophobicContact CB-CE2 4.43Å; P124-F127 HydrophobicContact CG-CD2 3.78Å; P124-F127 HydrophobicContact CG-CE2 4.18Å; P124-F127 PolarHBondContact O-N 3.21Å
125P93.4Very high95.9Very high83 Ų8379 Ų7954%0.53943%0.43SS..G310 helixtrans-55.3-25.6-178.1-28.135.2000115.8F127 L128P125-F127 VanDerWaalsContact C-N 3.28Å; P125-F127 PolarHBondContact O-N 3.29Å; P125-L128 HydrophobicContact CB-CD1 4.48Å
126L95.9Very high96.7Very high159 Ų15978.4 Ų78.483%0.83242%0.416SS*.G310 helixtrans-73.1-19.7178.3-72.190.8000113.4P124P124-L126 PolarHBondContact O-N 3.42Å
127F95.1Very high97Very high151 Ų15174 Ų7466%0.66239%0.393SS*.G310 helixtrans-1074.5-178.2-60.5-67.7000113P124 P125P124-F127 HydrophobicContact CB-CD2 3.9Å; P124-F127 HydrophobicContact CB-CE2 4.43Å; P124-F127 HydrophobicContact CG-CD2 3.78Å; P124-F127 HydrophobicContact CG-CE2 4.18Å; P124-F127 PolarHBondContact O-N 3.21Å; P125-F127 VanDerWaalsContact C-N 3.28Å; P125-F127 PolarHBondContact O-N 3.29Å
128L96Very high97Very high47 Ų4769.7 Ų69.725%0.24637%0.371CS..  trans-73.9132.2176.7-65174.8000110.3L123 P125 D132 R134L123-L128 HydrophobicContact CB-CD2 3.86Å; P125-L128 HydrophobicContact CB-CD1 4.48Å; L128-D132 HydrophobicContact CB-CB 4.17Å; L128-D132 HydrophobicContact CD2-CB 3.72Å; L128-D132 HydrophobicContact CG-CB 4.49Å; L128-R134 HydrophobicContact CD1-CB 4.17Å; L128-R134 HydrophobicContact CD1-CG 4.33Å
129E96.5Very high97Very high145 Ų14571.4 Ų71.468%0.67838%0.382SS*.  trans-89159.7171.7-62.1-165.5160.100111.2G131 D132E129-G131 PolarHBondContact O-N 2.8Å; E129-D132 PolarHBondContact N-OD2 3.04Å; E129-D132 WeakPolarHBondContact O-CB 3.47Å; E129-D132 PolarHBondContact O-N 2.67Å
130P96Very high97Very high144 Ų14471.9 Ų71.994%0.93539%0.385SS*.THydrogen-bonded Turntrans-58.2111.7174.6-24.134.7000111.9
131G94.1Very high97Very high75 Ų7575.4 Ų75.477%0.77340%0.398SS*.THydrogen-bonded Turntrans120.4-21.3-177.100000113E129E129-G131 PolarHBondContact O-N 2.8Å
132D96.8Very high97Very high54 Ų5471 Ų7129%0.28938%0.381SS..  trans-70.3153.1178.3-65.4-16.2000112.2L128 E129 D137L128-D132 HydrophobicContact CB-CB 4.17Å; L128-D132 HydrophobicContact CD2-CB 3.72Å; L128-D132 HydrophobicContact CG-CB 4.49Å; E129-D132 PolarHBondContact N-OD2 3.04Å; E129-D132 WeakPolarHBondContact O-CB 3.47Å; E129-D132 PolarHBondContact O-N 2.67Å; D132-D137 WeakPolarHBondContact CA-OD2 3.4Å
133L97.2Very high96.9Very high42 Ų4271.6 Ų71.622%0.2239%0.387CS..  trans-99.6110.3-176.4-59.8172.1000110M1 L135 L136 D137 Y193M1-L133 HydrophobicContact CE-CD1 3.58Å; M1-L133 HydrophobicContact CE-CD2 3.74Å; M1-L133 HydrophobicContact CE-CG 4.23Å; M1-L133 HydrophobicContact SD-CD1 3.21Å; M1-L133 WeakPolarHBondContact SD-CD1 3.11Å; M1-L133 HydrophobicContact SD-CD2 3.93Å; M1-L133 HydrophobicContact SD-CG 4.18Å; L133-L135 PolarHBondContact O-N 3.09Å; L133-L136 HydrophobicContact CB-CB 3.83Å; L133-L136 HydrophobicContact CB-CD1 4.28Å; L133-L136 HydrophobicContact CD1-CB 4.49Å; L133-L136 HydrophobicContact CD1-CD1 4.27Å; L133-L136 PolarHBondContact O-N 3.27Å; L133-D137 PolarHBondContact N-OD2 3.39Å; L133-D137 PolarHBondContact O-N 3.19Å; L133-D137 VanDerWaalsContact O-N 3.09Å; L133-Y193 HydrophobicContact CD1-CD1 4.32Å; L133-Y193 HydrophobicContact CD1-CD2 4.38Å; L133-Y193 HydrophobicContact CD1-CE1 3.79Å; L133-Y193 HydrophobicContact CD1-CE2 3.85Å
134R97.7Very high96.9Very high166 Ų16669.8 Ų69.863%0.62638%0.377SS*.THydrogen-bonded Turntrans-51.5127.1173.8-168.3-167.56589.23.7110.8L128 L136L128-R134 HydrophobicContact CD1-CB 4.17Å; L128-R134 HydrophobicContact CD1-CG 4.33Å; R134-L136 PolarHBondContact O-N 3.45Å
135L97.7Very high96.9Very high33 Ų3367.3 Ų67.317%0.17336%0.361CS..THydrogen-bonded Turntrans71.7-0.9-179.1-45.3-173.3000116.7M122 L133 F206 P208M122-L135 HydrophobicContact CE-CD2 4.22Å; M122-L135 VanDerWaalsContact SD-CA 3.6Å; M122-L135 HydrophobicContact SD-CB 4.14Å; M122-L135 HydrophobicContact SD-CD2 3.87Å; L133-L135 PolarHBondContact O-N 3.09Å; L135-F206 HydrophobicContact CD1-CD1 4.45Å; L135-F206 HydrophobicContact CD1-CE1 4.08Å; L135-F206 HydrophobicContact CD2-CD1 3.79Å; L135-F206 HydrophobicContact CD2-CE1 3.75Å; L135-P208 WeakPolarHBondContact O-CG 3.25Å
136L98.3Very high97.1Very high31 Ų3164.5 Ų64.516%0.16234%0.341CS..THydrogen-bonded Turntrans-116.3-39.4-176.7-70.9178000112.5M1 L133 R134 Y193 Q195 P208 V210M1-L136 HydrophobicContact CE-CD1 3.97Å; L133-L136 HydrophobicContact CB-CB 3.83Å; L133-L136 HydrophobicContact CB-CD1 4.28Å; L133-L136 HydrophobicContact CD1-CB 4.49Å; L133-L136 HydrophobicContact CD1-CD1 4.27Å; L133-L136 PolarHBondContact O-N 3.27Å; R134-L136 PolarHBondContact O-N 3.45Å; L136-Y193 HydrophobicContact CB-CD1 3.83Å; L136-Y193 HydrophobicContact CB-CE1 4.29Å; L136-Q195 HydrophobicContact CD2-CG 3.79Å; L136-P208 WeakPolarHBondContact O-CB 3.37Å; L136-P208 WeakPolarHBondContact O-CG 3.36Å; L136-V210 WeakPolarHBondContact O-CG2 3.34Å
137D98.1Very high97Very high4 Ų464 Ų642%0.02134%0.335CS..  trans-69.7148.9177.3-84.5-59.7000112.5L123 D132 L133 R141L123-D137 HydrophobicContact CD1-CB 4.11Å; L123-D137 PolarHBondContact N-O 3.43Å; D132-D137 WeakPolarHBondContact CA-OD2 3.4Å; L133-D137 PolarHBondContact N-OD2 3.39Å; L133-D137 PolarHBondContact O-N 3.19Å; L133-D137 VanDerWaalsContact O-N 3.09Å; D137-R141 IonicContact OD1-CZ 3.84Å; D137-R141 IonicContact OD1-NE 3.94Å; D137-R141 IonicContact OD1-NH2 2.88Å; D137-R141 PolarHBondContact OD1-NH2 3.15Å
138V98.5Very high96.9Very high7 Ų757.4 Ų57.44%0.04231%0.308CS..BIsolated β-bridgetrans-127.5159.4-176.3-64.40000110.5S120 Y121 N140 R141 P208 V210S120-V138 WeakPolarHBondContact OG-CB 3.47Å; Y121-V138 CarbonylContact O-C 3.52Å; Y121-V138 WeakPolarHBondContact O-CA 3.32Å; Y121-V138 VanDerWaalsContact O-CB 3.29Å; Y121-V138 WeakPolarHBondContact O-CB 3.41Å; V138-N140 WeakPolarHBondContact CG2-O 3.37Å; V138-R141 HydrophobicContact CG2-CG 3.91Å; V138-P208 HydrophobicContact CG1-CG 3.68Å; V138-V210 HydrophobicContact CB-CG2 4.34Å; V138-V210 HydrophobicContact CG1-CG2 3.93Å; V138-V210 HydrophobicContact CG2-CB 3.69Å; V138-V210 HydrophobicContact CG2-CG2 3.62Å
139D97.8Very high96.8Very high75 Ų7556.7 Ų56.740%0.40131%0.306SS..SBendtrans-66.1-42.417561.4-8.3000112.7S120 Y121 L123S120-D139 WeakPolarHBondContact CA-OD1 3.43Å; Y121-D139 PolarHBondContact N-OD1 3.28Å; Y121-D139 PolarHBondContact O-N 3.09Å; L123-D139 HydrophobicContact CD2-CB 4.08Å
140N98.1Very high96.7Very high71 Ų7149.8 Ų49.838%0.3827%0.273SS..SBendtrans-127.1114.9-179.9-58.8-73.8000110.1F118 N119 S120 V138F118-N140 HydrophobicContact CD2-CB 3.68Å; F118-N140 HydrophobicContact CE2-CB 4.03Å; N119-N140 WeakPolarHBondContact O-CB 3.17Å; N119-N140 PolarHBondContact O-ND2 2.91Å; S120-N140 VanDerWaalsContact CB-O 3.3Å; S120-N140 WeakPolarHBondContact CB-O 3.44Å; S120-N140 PolarHBondContact OG-O 3.46Å; V138-N140 WeakPolarHBondContact CG2-O 3.37Å
141R98.4Very high96.7Very high75 Ų7545.9 Ų45.928%0.28324%0.24SC..  trans-82153.4175.5-60.7-178.1173.4164.9-1.6110.7D137 V138 V143 V210 E212D137-R141 IonicContact OD1-CZ 3.84Å; D137-R141 IonicContact OD1-NE 3.94Å; D137-R141 IonicContact OD1-NH2 2.88Å; D137-R141 PolarHBondContact OD1-NH2 3.15Å; V138-R141 HydrophobicContact CG2-CG 3.91Å; R141-V143 PolarHBondContact O-N 3.36Å; R141-V210 HydrophobicContact CB-CG1 4.35Å; R141-V210 HydrophobicContact CG-CB 4.02Å; R141-V210 HydrophobicContact CG-CG1 3.69Å; R141-E212 HydrophobicContact CB-CB 4.3Å; R141-E212 WeakPolarHBondContact CD-OE2 3.41Å; R141-E212 IonicContact NH1-OE2 3.66Å
142V98Very high96.8Very high0 Ų042.3 Ų42.30%020%0.203CC..EExtended strand (participates in β ladder)trans-86.1103.3173.3-174.10000108.4Y108 Y110 L144 V210 L211 E212Y108-V142 HydrophobicContact CD1-CG1 4.23Å; Y108-V142 HydrophobicContact CD1-CG2 3.68Å; Y108-V142 HydrophobicContact CD2-CG2 3.47Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.47Å; Y108-V142 HydrophobicContact CE1-CG1 4.47Å; Y108-V142 HydrophobicContact CE1-CG2 3.5Å; Y108-V142 VanDerWaalsContact CE1-CG2 3.5Å; Y108-V142 HydrophobicContact CE2-CG2 3.28Å; Y108-V142 HydrophobicContact CG-CG2 3.66Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.24Å; V142-L144 HydrophobicContact CG1-CD1 4.25Å; V142-L144 HydrophobicContact CG1-CD2 4Å; V142-L144 HydrophobicContact CG1-CG 4.03Å; V142-V210 PolarHBondContact N-O 3.35Å; V142-L211 HydrophobicContact CB-CD2 3.59Å; V142-L211 HydrophobicContact CG1-CD2 3.92Å; V142-L211 HydrophobicContact CG2-CD2 4.12Å; V142-L211 CarbonylContact O-C 3.56Å; V142-L211 WeakPolarHBondContact O-CA 3.14Å; V142-E212 PolarHBondContact O-N 3.24Å
143V97.6Very high96.9Very high48 Ų4841.2 Ų41.229%0.29120%0.197SC..EExtended strand (participates in β ladder)trans-84.5130.7-178.9-169.70000109.9Y110 R141 E212 I214 F219Y110-V143 PolarHBondContact OH-N 3.48Å; Y110-V143 PolarHBondContact OH-O 3.44Å; R141-V143 PolarHBondContact O-N 3.36Å; V143-E212 CarbonylContact C-O 3.55Å; V143-E212 VanDerWaalsContact CA-O 3.3Å; V143-E212 WeakPolarHBondContact CA-O 3.3Å; V143-E212 HydrophobicContact CG2-CB 4.33Å; V143-I214 HydrophobicContact CG1-CD1 3.35Å; V143-I214 HydrophobicContact CG1-CG1 3.72Å; V143-F219 HydrophobicContact CG1-CD2 4.29Å; V143-F219 WeakPolarHBondContact O-CE2 3.42Å
144L96.9Very high96.9Very high0 Ų039.2 Ų39.20%019%0.186CC..EExtended strand (participates in β ladder)trans-140.8148.5-172.4-60.6175.6000111.7I97 Y110 V142 I150 F184 L211 E212 L213 I214I97-L144 HydrophobicContact CD1-CD2 3Å; I97-L144 HydrophobicContact CD1-CG 4.48Å; Y110-L144 HydrophobicContact CE1-CD2 4.42Å; V142-L144 HydrophobicContact CG1-CD1 4.25Å; V142-L144 HydrophobicContact CG1-CD2 4Å; V142-L144 HydrophobicContact CG1-CG 4.03Å; L144-I150 HydrophobicContact CB-CD1 3.86Å; L144-I150 HydrophobicContact CD1-CD1 4.15Å; L144-I150 HydrophobicContact CD2-CD1 4.26Å; L144-I150 HydrophobicContact CG-CD1 4.33Å; L144-F184 HydrophobicContact CD1-CE2 4.37Å; L144-F184 HydrophobicContact CD1-CZ 3.73Å; L144-L211 HydrophobicContact CD1-CD1 4.15Å; L144-L211 HydrophobicContact CD1-CD2 3.99Å; L144-L211 HydrophobicContact CD1-CG 4.47Å; L144-E212 PolarHBondContact N-O 3.06Å; L144-L213 HydrophobicContact CB-CD1 3.96Å; L144-L213 HydrophobicContact CB-CD2 4.13Å; L144-L213 HydrophobicContact CD1-CD2 4.24Å; L144-L213 WeakPolarHBondContact O-CA 3.49Å; L144-I214 PolarHBondContact O-N 2.92Å
145P96.8Very high97Very high3 Ų332.2 Ų32.22%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-74.8139.9173.530.3-33.5000112.1L95 A148 I214 L216 F219L95-P145 HydrophobicContact CD2-CG 4.12Å; P145-A148 HydrophobicContact CB-CB 4.38Å; P145-A148 HydrophobicContact CG-CB 4.08Å; P145-I214 CarbonylContact C-O 3.57Å; P145-I214 VanDerWaalsContact CA-O 3.27Å; P145-I214 WeakPolarHBondContact CA-O 3.33Å; P145-L216 HydrophobicContact CB-CB 4.27Å; P145-L216 HydrophobicContact CB-CD1 3.78Å; P145-L216 HydrophobicContact CG-CD1 4.25Å; P145-F219 HydrophobicContact CB-CB 4.42Å; P145-F219 HydrophobicContact CB-CD1 4.34Å; P145-F219 HydrophobicContact CB-CG 4.33Å; P145-F219 HydrophobicContact CG-CD1 4.22Å; P145-F219 HydrophobicContact CG-CE1 4.41Å; P145-F219 HydrophobicContact CG-CG 4.45Å
146I97.1Very high97Very high25 Ų2531 Ų3113%0.12816%0.156CC..THydrogen-bonded Turntrans-73160.716661.7175.4000111.4A148 P189 L213 I214 P215I146-A148 PolarHBondContact O-N 3.48Å; I146-P189 HydrophobicContact CD1-CB 4.45Å; I146-P189 HydrophobicContact CG2-CB 4.24Å; I146-L213 HydrophobicContact CG2-CB 3.79Å; I146-L213 HydrophobicContact CG2-CD1 4.13Å; I146-I214 PolarHBondContact N-O 3.24Å; I146-P215 HydrophobicContact CD1-CG 4.41Å
147E94.5Very high97Very high149 Ų14935.9 Ų35.970%0.69618%0.178SC*.THydrogen-bonded Turntrans59.79.8173.9-58-179.4174.300115.5A186E147-A186 PolarHBondContact N-O 3.07Å
148A92.9Very high97Very high12 Ų1238.3 Ų38.310%0.09919%0.191CC..SBendtrans-109.3137.4174.900000110.7P145 I146 I150P145-A148 HydrophobicContact CB-CB 4.38Å; P145-A148 HydrophobicContact CG-CB 4.08Å; I146-A148 PolarHBondContact O-N 3.48Å; A148-I150 PolarHBondContact O-N 3.47Å
149P94Very high97Very high31 Ų3140.5 Ų40.520%0.20121%0.205CC..  trans-69.3117.4171.427.3-31.5000109.9P93 S94P93-P149 CarbonylContact C-O 3.52Å; P93-P149 WeakPolarHBondContact CA-O 3.37Å; S94-P149 PolarHBondContact N-O 3.08Å
150I95.1Very high97.1Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-107.1133.3-179.1-62.9161.8000108.9L144 A148 M152 T183 F184L144-I150 HydrophobicContact CB-CD1 3.86Å; L144-I150 HydrophobicContact CD1-CD1 4.15Å; L144-I150 HydrophobicContact CD2-CD1 4.26Å; L144-I150 HydrophobicContact CG-CD1 4.33Å; A148-I150 PolarHBondContact O-N 3.47Å; I150-M152 HydrophobicContact CG2-CG 4.45Å; I150-M152 HydrophobicContact CG2-SD 4.13Å; I150-T183 VanDerWaalsContact O-CA 3.28Å; I150-T183 WeakPolarHBondContact O-CA 3.4Å; I150-F184 HydrophobicContact CB-CE1 4.26Å; I150-F184 HydrophobicContact CB-CZ 4.26Å; I150-F184 HydrophobicContact CD1-CE2 4.04Å; I150-F184 HydrophobicContact CD1-CZ 4.13Å; I150-F184 HydrophobicContact CG2-CE1 4.09Å; I150-F184 HydrophobicContact CG2-CZ 4.23Å; I150-F184 PolarHBondContact N-O 2.94Å; I150-F184 PolarHBondContact O-N 3.49Å
151R95.9Very high97.1Very high62 Ų6237.5 Ų37.523%0.23419%0.188CC..EExtended strand (participates in β ladder)trans-100.6118.7170.3-178.9-171.6-74.3145.9-2.4109.6P93 L95 T96 I97 M153 Q181 T183P93-R151 HydrophobicContact CB-CB 3.71Å; P93-R151 VanDerWaalsContact CD-NH2 3.3Å; P93-R151 HydrophobicContact CG-CB 3.76Å; L95-R151 PolarHBondContact O-N 3.25Å; T96-R151 WeakPolarHBondContact CA-O 3.33Å; T96-R151 HydrophobicContact CG2-CB 4.38Å; T96-R151 HydrophobicContact CG2-CG 4.29Å; I97-R151 PolarHBondContact N-O 3.49Å; R151-M153 HydrophobicContact CG-SD 3.81Å; R151-Q181 HydrophobicContact CG-CG 3.65Å; R151-T183 HydrophobicContact CB-CG2 4.27Å; R151-T183 HydrophobicContact CG-CG2 4.41Å
152M96.5Very high97.1Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-97.1125.5169.8-64.6-61.1-64.300109.9I97 Y108 I150 I154 W163 Q181 T182 F184I97-M152 HydrophobicContact CB-CE 4.33Å; I97-M152 HydrophobicContact CB-SD 3.84Å; I97-M152 HydrophobicContact CG2-CE 4.02Å; I97-M152 HydrophobicContact CG2-SD 4.17Å; I97-M152 CarbonylContact O-C 3.48Å; I97-M152 WeakPolarHBondContact O-CA 3.43Å; Y108-M152 HydrophobicContact CD1-CE 4.41Å; Y108-M152 HydrophobicContact CE1-CE 4.28Å; I150-M152 HydrophobicContact CG2-CG 4.45Å; I150-M152 HydrophobicContact CG2-SD 4.13Å; M152-I154 HydrophobicContact CB-CD1 4.11Å; M152-I154 HydrophobicContact CB-CG1 4.21Å; M152-W163 HydrophobicContact CE-CH2 4.24Å; M152-W163 HydrophobicContact CE-CZ2 3.86Å; M152-W163 HydrophobicContact CG-CH2 4.25Å; M152-W163 HydrophobicContact CG-CZ3 4.49Å; M152-Q181 WeakPolarHBondContact O-CA 3.09Å; M152-T182 HydrophobicContact CB-CG2 3.86Å; M152-T182 PolarHBondContact N-O 3.04Å; M152-T182 PolarHBondContact O-N 3.43Å; M152-F184 HydrophobicContact CG-CD1 4.23Å; M152-F184 HydrophobicContact CG-CE1 3.56Å; M152-F184 HydrophobicContact SD-CE1 4.31Å
153M97.4Very high97.1Very high31 Ų3134 Ų3415%0.15318%0.175CC..EExtended strand (participates in β ladder)trans-102117.3171-56.1-56.7-7000108.7T96 I97 K98 S99 R151 L179 N180 Q181T96-M153 HydrophobicContact CG2-CG 3.76Å; I97-M153 PolarHBondContact O-N 3.39Å; K98-M153 CarbonylContact C-O 3.51Å; K98-M153 VanDerWaalsContact CA-O 3.25Å; K98-M153 WeakPolarHBondContact CA-O 3.4Å; K98-M153 HydrophobicContact CB-CB 4.46Å; K98-M153 HydrophobicContact CG-CB 4.14Å; K98-M153 WeakPolarHBondContact CG-O 3.42Å; S99-M153 PolarHBondContact N-O 2.91Å; R151-M153 HydrophobicContact CG-SD 3.81Å; M153-L179 HydrophobicContact CB-CD1 3.92Å; M153-L179 HydrophobicContact CB-CD2 4.28Å; M153-L179 HydrophobicContact CB-CG 4.07Å; M153-L179 HydrophobicContact CE-CD2 3.45Å; M153-L179 VanDerWaalsContact CE-CD2 3.45Å; M153-L179 HydrophobicContact CE-CG 3.65Å; M153-N180 CarbonylContact C-O 3.55Å; M153-N180 VanDerWaalsContact CA-O 3.3Å; M153-N180 WeakPolarHBondContact CA-O 3.5Å; M153-Q181 HydrophobicContact CE-CB 4.12Å; M153-Q181 HydrophobicContact SD-CB 3.8Å; M153-Q181 HydrophobicContact SD-CG 3.7Å
154I98.6Very high97.2Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-117.8125.9-166.9-62.2160000109.2S99 M152 W163 T172 A174 N180 T182S99-I154 WeakPolarHBondContact O-CA 3.36Å; M152-I154 HydrophobicContact CB-CD1 4.11Å; M152-I154 HydrophobicContact CB-CG1 4.21Å; I154-W163 HydrophobicContact CD1-CB 4.11Å; I154-W163 HydrophobicContact CD1-CD2 4.22Å; I154-W163 HydrophobicContact CD1-CE3 3.89Å; I154-W163 HydrophobicContact CD1-CG 4.35Å; I154-W163 HydrophobicContact CG1-CB 4.36Å; I154-W163 HydrophobicContact CG2-CB 3.86Å; I154-T172 HydrophobicContact CB-CG2 4.38Å; I154-T172 HydrophobicContact CD1-CG2 4Å; I154-A174 HydrophobicContact CG2-CB 3.72Å; I154-N180 PolarHBondContact N-O 3.42Å; I154-N180 PolarHBondContact O-N 2.92Å; I154-T182 HydrophobicContact CD1-CG2 3.7Å
155T98.7Very high97.3Very high20 Ų2031.9 Ų31.912%0.12316%0.162CC..EExtended strand (participates in β ladder)trans-151.4178.3179-164.50000110.8K98 S99 I100 G101 A174 I175 R178 L179K98-T155 HydrophobicContact CD-CG2 4.4Å; S99-T155 PolarHBondContact O-N 3.22Å; I100-T155 CarbonylContact C-O 3.59Å; I100-T155 WeakPolarHBondContact CA-O 3.46Å; I100-T155 HydrophobicContact CG1-CG2 4.08Å; I100-T155 HydrophobicContact CG2-CG2 4.45Å; G101-T155 PolarHBondContact N-O 3.38Å; T155-A174 VanDerWaalsContact O-CB 3.22Å; T155-A174 WeakPolarHBondContact O-CB 3.36Å; T155-I175 PolarHBondContact OG1-O 3.48Å; T155-R178 VanDerWaalsContact CB-O 3.26Å; T155-R178 WeakPolarHBondContact CB-O 3.37Å; T155-R178 PolarHBondContact OG1-O 3.43Å; T155-L179 HydrophobicContact CG2-CD1 3.92Å
156S98.5Very high97.4Very high7 Ų734.5 Ų34.55%0.04918%0.18CC..EExtended strand (participates in β ladder)trans-133.4154.3174.4172.10000111.3G101 D158 V159 H161 P176G101-S156 WeakPolarHBondContact O-CA 3.44Å; G101-S156 PolarHBondContact O-OG 3.12Å; S156-D158 PolarHBondContact OG-N 3.06Å; S156-D158 PolarHBondContact OG-OD1 3.28Å; S156-V159 VanDerWaalsContact CB-O 3.27Å; S156-V159 WeakPolarHBondContact CB-O 3.46Å; S156-V159 PolarHBondContact OG-O 2.95Å; S156-H161 PolarHBondContact OG-CD2 3.37Å; S156-P176 WeakPolarHBondContact O-CA 3.37Å
157Q98.4Very high97.4Very high134 Ų13433.5 Ų33.563%0.62618%0.175SC*.SBendtrans-99.9-4.8171.2-76.9-175.917.900114.4I100 G101 H102I100-Q157 HydrophobicContact CG2-CB 4.28Å; I100-Q157 HydrophobicContact CG2-CG 3.62Å; G101-Q157 PolarHBondContact O-N 3.18Å; H102-Q157 VanDerWaalsContact CE1-CD 3.41Å; H102-Q157 PolarHBondContact CE1-OE1 3.1Å
158D97.9Very high97.6Very high55 Ų5526.4 Ų26.429%0.29414%0.142SC..SBendtrans-134.9-85.9-177.347.933.8000114.2H102 Q103 S156 H161 P176H102-D158 VanDerWaalsContact CA-OD2 3.25Å; H102-D158 WeakPolarHBondContact CA-OD2 3.32Å; Q103-D158 PolarHBondContact N-OD2 3.48Å; S156-D158 PolarHBondContact OG-N 3.06Å; S156-D158 PolarHBondContact OG-OD1 3.28Å; D158-H161 IonicContact OD1-CD2 2.74Å; D158-H161 IonicContact OD1-CE1 3.58Å; D158-H161 IonicContact OD1-NE2 3.83Å; D158-H161 PolarHBondContact OD1-NE2 3.06Å; D158-P176 WeakPolarHBondContact O-CG 3.43Å
159V98.4Very high97.8Very high53 Ų5327.2 Ų27.232%0.32115%0.151SC..SBendtrans-113.4-179.8-175.9-62.20000110.6Q103 S156 H161 C200Q103-V159 HydrophobicContact CG-CG2 3.86Å; S156-V159 VanDerWaalsContact CB-O 3.27Å; S156-V159 WeakPolarHBondContact CB-O 3.46Å; S156-V159 PolarHBondContact OG-O 2.95Å; V159-H161 PolarHBondContact O-CD2 3.19Å; V159-H161 PolarHBondContact O-N 3.48Å; V159-C200 HydrophobicContact CG2-CB 3.83Å
160L98.7Very high98Very high83 Ų8326.4 Ų26.444%0.43515%0.145SC..  trans-66.2134.6172.1-61.1176.5000110.4I175 E198 C200L160-I175 HydrophobicContact CD2-CB 4.16Å; L160-I175 HydrophobicContact CD2-CG1 3.89Å; L160-I175 HydrophobicContact CD2-CG2 3.95Å; L160-E198 HydrophobicContact CB-CG 3.8Å; L160-C200 VanDerWaalsContact O-CB 3.29Å; L160-C200 WeakPolarHBondContact O-CB 3.25Å
161H98.8Very high98.2Very high0 Ų032.4 Ų32.40%017%0.171CC..EExtended strand (participates in β ladder)trans-132.3175.6165.4-57-96.3000108.4H102 W106 S156 D158 V159 D173 A174 C200 M207H102-H161 VanDerWaalsContact C-CE1 3.45Å; H102-H161 PolarHBondContact O-CE1 3.31Å; W106-H161 HydrophobicContact CH2-CB 3.81Å; W106-H161 HydrophobicContact CZ2-CB 4.2Å; S156-H161 PolarHBondContact OG-CD2 3.37Å; D158-H161 IonicContact OD1-CD2 2.74Å; D158-H161 IonicContact OD1-CE1 3.58Å; D158-H161 IonicContact OD1-NE2 3.83Å; D158-H161 PolarHBondContact OD1-NE2 3.06Å; V159-H161 PolarHBondContact O-CD2 3.19Å; V159-H161 PolarHBondContact O-N 3.48Å; H161-D173 WeakPolarHBondContact O-CA 3.26Å; H161-A174 HydrophobicContact CB-CB 3.99Å; H161-A174 PolarHBondContact N-O 2.85Å; H161-A174 VanDerWaalsContact N-O 3.07Å; H161-A174 PolarHBondContact O-N 2.99Å; H161-C200 VanDerWaalsContact CE1-CB 3.4Å; H161-C200 WeakPolarHBondContact CE1-CB 3.32Å; H161-C200 WeakPolarHBondContact ND1-CB 3.47Å; H161-C200 PolarHBondContact ND1-SG 2.94Å; H161-C200 VanDerWaalsContact ND1-SG 3.42Å; H161-M207 VanDerWaalsContact ND1-CE 3.32Å; H161-M207 WeakPolarHBondContact ND1-CE 3.48Å; H161-M207 PolarHBondContact ND1-SD 3.29Å
162S98.7Very high98.3Very high0 Ų030.5 Ų30.50%017%0.166CC..EExtended strand (participates in β ladder)trans-145119.6173.2-171.80000110K171 D173 C196 S197S162-K171 VanDerWaalsContact OG-CE 3.32Å; S162-K171 WeakPolarHBondContact OG-CE 3.45Å; S162-D173 WeakPolarHBondContact CB-OD1 3.39Å; S162-D173 PolarHBondContact OG-OD1 3.25Å; S162-C196 WeakPolarHBondContact O-CA 3.21Å; S162-S197 PolarHBondContact O-N 3.48Å
163W98.8Very high98.4Very high0 Ų033.5 Ų33.50%018%0.183CC..EExtended strand (participates in β ladder)trans-85.4114.6-177.6-170.793.2000108.5S99 W106 Y108 M152 I154 V165 L170 K171 T172 F184 I209 L211S99-W163 VanDerWaalsContact OG-CD1 3.23Å; S99-W163 PolarHBondContact OG-NE1 3.09Å; W106-W163 AromaticContact CE3-CD1 3.85Å; W106-W163 HydrophobicContact CH2-CB 3.68Å; W106-W163 HydrophobicContact CH2-CG 4.3Å; W106-W163 HydrophobicContact CZ2-CB 4.28Å; W106-W163 HydrophobicContact CZ3-CB 3.98Å; W106-W163 AromaticContact CZ3-CD1 3.83Å; W106-W163 HydrophobicContact CZ3-CG 4.34Å; Y108-W163 AromaticContact CE1-NE1 3.61Å; Y108-W163 AromaticContact CZ-NE1 3.73Å; Y108-W163 PolarHBondContact OH-NE1 3.43Å; M152-W163 HydrophobicContact CE-CH2 4.24Å; M152-W163 HydrophobicContact CE-CZ2 3.86Å; M152-W163 HydrophobicContact CG-CH2 4.25Å; M152-W163 HydrophobicContact CG-CZ3 4.49Å; I154-W163 HydrophobicContact CD1-CB 4.11Å; I154-W163 HydrophobicContact CD1-CD2 4.22Å; I154-W163 HydrophobicContact CD1-CE3 3.89Å; I154-W163 HydrophobicContact CD1-CG 4.35Å; I154-W163 HydrophobicContact CG1-CB 4.36Å; I154-W163 HydrophobicContact CG2-CB 3.86Å; W163-V165 HydrophobicContact CE3-CG2 4.45Å; W163-V165 HydrophobicContact CH2-CG2 3.71Å; W163-V165 HydrophobicContact CZ2-CG2 3.97Å; W163-V165 HydrophobicContact CZ3-CG2 3.96Å; W163-L170 HydrophobicContact CH2-CD1 4.33Å; W163-L170 HydrophobicContact CZ3-CB 4.11Å; W163-L170 HydrophobicContact CZ3-CD1 3.85Å; W163-K171 WeakPolarHBondContact O-CA 3.06Å; W163-T172 PolarHBondContact N-O 3.45Å; W163-T172 PolarHBondContact O-N 3.02Å; W163-F184 HydrophobicContact CH2-CE1 4.5Å; W163-I209 HydrophobicContact CB-CD1 4.29Å; W163-I209 HydrophobicContact CD2-CD1 4.2Å; W163-I209 HydrophobicContact CG-CD1 3.73Å; W163-I209 HydrophobicContact CZ2-CG2 3.94Å; W163-L211 HydrophobicContact CH2-CD1 4.1Å; W163-L211 HydrophobicContact CH2-CD2 4.41Å; W163-L211 HydrophobicContact CZ2-CD1 4.41Å; W163-L211 HydrophobicContact CZ2-CD2 3.93Å
164A98.8Very high98.5Very high4 Ų432 Ų323%0.03318%0.175CC..EExtended strand (participates in β ladder)trans-137.6130.9-171.800000112.2L170 K171 G194 Q195 S197A164-L170 CarbonylContact C-O 3.57Å; A164-L170 VanDerWaalsContact CA-O 3.25Å; A164-L170 WeakPolarHBondContact CA-O 3.44Å; A164-K171 HydrophobicContact CB-CB 4.08Å; A164-K171 HydrophobicContact CB-CG 4.04Å; A164-G194 WeakPolarHBondContact O-CA 3.49Å; A164-Q195 PolarHBondContact O-N 3.4Å; A164-S197 VanDerWaalsContact CB-OG 3.23Å; A164-S197 WeakPolarHBondContact CB-OG 3.48Å
165V98.8Very high98.5Very high0 Ų034.5 Ų34.50%019%0.188CC..EExtended strand (participates in β ladder)trans-131.794.3174.8-175.10000108W163 T167 L168 G169 L170 I209 L211W163-V165 HydrophobicContact CE3-CG2 4.45Å; W163-V165 HydrophobicContact CH2-CG2 3.71Å; W163-V165 HydrophobicContact CZ2-CG2 3.97Å; W163-V165 HydrophobicContact CZ3-CG2 3.96Å; V165-T167 VanDerWaalsContact C-N 3.35Å; V165-T167 PolarHBondContact O-N 3.43Å; V165-L168 HydrophobicContact CB-CD1 4.35Å; V165-L168 HydrophobicContact CG1-CB 4.37Å; V165-L168 HydrophobicContact CG1-CD1 3.91Å; V165-L168 HydrophobicContact CG1-CG 4.16Å; V165-L168 PolarHBondContact O-N 2.98Å; V165-L168 VanDerWaalsContact O-N 3.1Å; V165-G169 PolarHBondContact O-N 2.92Å; V165-L170 PolarHBondContact N-O 3.44Å; V165-L170 PolarHBondContact O-N 3.38Å; V165-I209 HydrophobicContact CG2-CG2 3.77Å; V165-L211 HydrophobicContact CB-CD1 4.47Å; V165-L211 HydrophobicContact CG1-CD1 4.15Å; V165-L211 HydrophobicContact CG2-CD1 4Å; V165-L211 HydrophobicContact CG2-CG 4.25Å
166P98.5Very high98.5Very high59 Ų5936 Ų3638%0.38320%0.198SC..G310 helixtrans-60.3-36.6-169-28.336000115L168 G169P166-L168 PolarHBondContact O-N 3.42Å; P166-G169 PolarHBondContact O-N 2.88Å
167T98.2Very high98.4Very high3 Ų339.8 Ų39.82%0.01824%0.238CC..G310 helixtrans-64.4-22.7179.756.70000113Q10 T13 V165 Y192Q10-T167 HydrophobicContact CB-CG2 3.86Å; T13-T167 WeakPolarHBondContact CB-O 3.38Å; T13-T167 PolarHBondContact N-O 3.21Å; T13-T167 WeakPolarHBondContact OG1-CB 3.41Å; V165-T167 VanDerWaalsContact C-N 3.35Å; V165-T167 PolarHBondContact O-N 3.43Å; T167-Y192 HydrophobicContact CG2-CD1 4.36Å; T167-Y192 WeakPolarHBondContact OG1-CD1 2.93Å
168L98.1Very high98.4Very high1 Ų140.6 Ų40.61%0.00524%0.236CC..G310 helixtrans-95-2.7175.7-68171.9000112.8T13 S14 V165 P166 L170 F184 A186 L211T13-L168 HydrophobicContact CG2-CD2 3.7Å; S14-L168 VanDerWaalsContact OG-C 3.31Å; S14-L168 PolarHBondContact OG-O 3.27Å; V165-L168 HydrophobicContact CB-CD1 4.35Å; V165-L168 HydrophobicContact CG1-CB 4.37Å; V165-L168 HydrophobicContact CG1-CD1 3.91Å; V165-L168 HydrophobicContact CG1-CG 4.16Å; V165-L168 PolarHBondContact O-N 2.98Å; V165-L168 VanDerWaalsContact O-N 3.1Å; P166-L168 PolarHBondContact O-N 3.42Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 HydrophobicContact CB-CB 4.47Å; L168-L170 HydrophobicContact CB-CD1 3.64Å; L168-L170 HydrophobicContact CB-CG 3.75Å; L168-L170 HydrophobicContact CD1-CD1 3.9Å; L168-L170 HydrophobicContact CG-CD1 4.43Å; L168-F184 HydrophobicContact CD1-CD2 3.86Å; L168-F184 HydrophobicContact CD1-CE2 3.64Å; L168-F184 HydrophobicContact CD1-CZ 4.09Å; L168-F184 HydrophobicContact CD2-CD2 4.11Å; L168-F184 HydrophobicContact CD2-CE2 4.44Å; L168-A186 HydrophobicContact CD2-CB 4.05Å; L168-L211 HydrophobicContact CD1-CD1 3.46Å; L168-L211 VanDerWaalsContact CD1-CD1 3.46Å
169G97.8Very high98.4Very high29 Ų2942.2 Ų42.230%0.29924%0.244SC..THydrogen-bonded Turntrans69.625.9-174.600000113.2M17 V165 P166M17-G169 VanDerWaalsContact SD-CA 3.54Å; V165-G169 PolarHBondContact O-N 2.92Å; P166-G169 PolarHBondContact O-N 2.88Å
170L98Very high98.3Very high14 Ų1440.8 Ų40.87%0.07323%0.234CC..EExtended strand (participates in β ladder)trans-106130-173.6-60.8174.1000111.5W163 A164 V165 L168 T182 F184W163-L170 HydrophobicContact CH2-CD1 4.33Å; W163-L170 HydrophobicContact CZ3-CB 4.11Å; W163-L170 HydrophobicContact CZ3-CD1 3.85Å; A164-L170 CarbonylContact C-O 3.57Å; A164-L170 VanDerWaalsContact CA-O 3.25Å; A164-L170 WeakPolarHBondContact CA-O 3.44Å; V165-L170 PolarHBondContact N-O 3.44Å; V165-L170 PolarHBondContact O-N 3.38Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 HydrophobicContact CB-CB 4.47Å; L168-L170 HydrophobicContact CB-CD1 3.64Å; L168-L170 HydrophobicContact CB-CG 3.75Å; L168-L170 HydrophobicContact CD1-CD1 3.9Å; L168-L170 HydrophobicContact CG-CD1 4.43Å; L170-T182 HydrophobicContact CD2-CG2 4.32Å; L170-T182 WeakPolarHBondContact CD2-OG1 3.45Å; L170-F184 HydrophobicContact CD1-CB 3.85Å; L170-F184 HydrophobicContact CD1-CD1 3.29Å; L170-F184 HydrophobicContact CD1-CD2 4.27Å; L170-F184 HydrophobicContact CD1-CE1 3.76Å; L170-F184 HydrophobicContact CD1-CG 3.56Å; L170-F184 HydrophobicContact CD1-CZ 4.42Å; L170-F184 HydrophobicContact CD2-CB 4.09Å; L170-F184 HydrophobicContact CG-CB 4.39Å; L170-F184 HydrophobicContact CG-CD1 4.5Å
171K98.6Very high98.2Very high125 Ų12540.6 Ų40.654%0.54323%0.231SC..EExtended strand (participates in β ladder)trans-151.6122.3164.8178.8174175.2172.60108.4S162 W163 A164 S197S162-K171 VanDerWaalsContact OG-CE 3.32Å; S162-K171 WeakPolarHBondContact OG-CE 3.45Å; W163-K171 WeakPolarHBondContact O-CA 3.06Å; A164-K171 HydrophobicContact CB-CB 4.08Å; A164-K171 HydrophobicContact CB-CG 4.04Å; K171-S197 PolarHBondContact NZ-O 3.28Å; K171-S197 VanDerWaalsContact NZ-O 3.15Å
172T98.6Very high98Very high22 Ų2241.5 Ų41.514%0.13524%0.237CC..EExtended strand (participates in β ladder)trans-145.1129.9178.3-53.40000110.1I154 W163 N180I154-T172 HydrophobicContact CB-CG2 4.38Å; I154-T172 HydrophobicContact CD1-CG2 4Å; W163-T172 PolarHBondContact N-O 3.45Å; W163-T172 PolarHBondContact O-N 3.02Å; T172-N180 HydrophobicContact CG2-CB 3.52Å
173D98.7Very high97.9Very high64 Ų6442.7 Ų42.734%0.34224%0.244SC..EExtended strand (participates in β ladder)trans-70.9135.5-178.1-61.3-15.4000111.2H161 S162 I175 N180H161-D173 WeakPolarHBondContact O-CA 3.26Å; S162-D173 WeakPolarHBondContact CB-OD1 3.39Å; S162-D173 PolarHBondContact OG-OD1 3.25Å; D173-I175 HydrophobicContact CB-CD1 4.23Å; D173-I175 HydrophobicContact CB-CG1 4.02Å; D173-N180 PolarHBondContact O-ND2 3.04Å
174A98.7Very high97.7Very high0 Ų043.2 Ų43.20%025%0.247CC..EExtended strand (participates in β ladder)trans-93.4103.9171.400000107.8W106 I154 T155 H161W106-A174 HydrophobicContact CH2-CB 4.17Å; W106-A174 HydrophobicContact CZ3-CB 4.12Å; I154-A174 HydrophobicContact CG2-CB 3.72Å; T155-A174 VanDerWaalsContact O-CB 3.22Å; T155-A174 WeakPolarHBondContact O-CB 3.36Å; H161-A174 HydrophobicContact CB-CB 3.99Å; H161-A174 PolarHBondContact N-O 2.85Å; H161-A174 VanDerWaalsContact N-O 3.07Å; H161-A174 PolarHBondContact O-N 2.99Å
175I98.7Very high97.5Very high51 Ų5145 Ų4526%0.26226%0.257SS..  trans-111.9125.9-173.2-57.2172.9000108.7T155 L160 D173 G177 R178T155-I175 PolarHBondContact OG1-O 3.48Å; L160-I175 HydrophobicContact CD2-CB 4.16Å; L160-I175 HydrophobicContact CD2-CG1 3.89Å; L160-I175 HydrophobicContact CD2-CG2 3.95Å; D173-I175 HydrophobicContact CB-CD1 4.23Å; D173-I175 HydrophobicContact CB-CG1 4.02Å; I175-G177 PolarHBondContact O-N 2.87Å; I175-R178 HydrophobicContact CB-CB 4.12Å; I175-R178 HydrophobicContact CG2-CB 4.23Å; I175-R178 PolarHBondContact O-N 3.29Å
176P98.3Very high97.4Very high52 Ų5245 Ų4534%0.33826%0.257SS..BIsolated β-bridgetrans-55.7128.8175.8-23.732.5000111.6S156 D158 R178S156-P176 WeakPolarHBondContact O-CA 3.37Å; D158-P176 WeakPolarHBondContact O-CG 3.43Å; P176-R178 VanDerWaalsContact C-N 3.29Å; P176-R178 PolarHBondContact O-N 3.45Å
177G97.1Very high97.3Very high87 Ų8744.5 Ų44.590%0.89725%0.253SS*.THydrogen-bonded Turntrans78.44-17900000115.5I175I175-G177 PolarHBondContact O-N 2.87Å
178R98Very high97.2Very high151 Ų15148.9 Ų48.957%0.5727%0.269SS*.  trans-127.3134.9173177.7173.3174.2157.5-0110.5T155 I175 P176 N180T155-R178 VanDerWaalsContact CB-O 3.26Å; T155-R178 WeakPolarHBondContact CB-O 3.37Å; T155-R178 PolarHBondContact OG1-O 3.43Å; I175-R178 HydrophobicContact CB-CB 4.12Å; I175-R178 HydrophobicContact CG2-CB 4.23Å; I175-R178 PolarHBondContact O-N 3.29Å; P176-R178 VanDerWaalsContact C-N 3.29Å; P176-R178 PolarHBondContact O-N 3.45Å; R178-N180 PolarHBondContact NE-OD1 2.93Å; R178-N180 PolarHBondContact NH2-OD1 3.41Å
179L97.6Very high97.2Very high88 Ų8852.7 Ų52.746%0.46129%0.294SS..  trans-104.898.4175.7-164.769.5000108.4K98 M153 T155K98-L179 HydrophobicContact CD-CD1 4.25Å; K98-L179 HydrophobicContact CG-CD1 4.27Å; M153-L179 HydrophobicContact CB-CD1 3.92Å; M153-L179 HydrophobicContact CB-CD2 4.28Å; M153-L179 HydrophobicContact CB-CG 4.07Å; M153-L179 HydrophobicContact CE-CD2 3.45Å; M153-L179 VanDerWaalsContact CE-CD2 3.45Å; M153-L179 HydrophobicContact CE-CG 3.65Å; T155-L179 HydrophobicContact CG2-CD1 3.92Å
180N97.8Very high97.2Very high24 Ų2452.8 Ų52.813%0.12829%0.294CS..EExtended strand (participates in β ladder)trans-80.7154.5174.7-76.5-33.6000110.3M153 I154 T172 D173 R178M153-N180 CarbonylContact C-O 3.55Å; M153-N180 VanDerWaalsContact CA-O 3.3Å; M153-N180 WeakPolarHBondContact CA-O 3.5Å; I154-N180 PolarHBondContact N-O 3.42Å; I154-N180 PolarHBondContact O-N 2.92Å; T172-N180 HydrophobicContact CG2-CB 3.52Å; D173-N180 PolarHBondContact O-ND2 3.04Å; R178-N180 PolarHBondContact NE-OD1 2.93Å; R178-N180 PolarHBondContact NH2-OD1 3.41Å
181Q95.7Very high97.2Very high78 Ų7854.3 Ų54.336%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-123.6140.2178.1-178.3178.6-48.400109.5R151 M152 M153R151-Q181 HydrophobicContact CG-CG 3.65Å; M152-Q181 WeakPolarHBondContact O-CA 3.09Å; M153-Q181 HydrophobicContact CE-CB 4.12Å; M153-Q181 HydrophobicContact SD-CB 3.8Å; M153-Q181 HydrophobicContact SD-CG 3.7Å
182T95.7Very high97.2Very high20 Ų2049.4 Ų49.412%0.12328%0.283CS..EExtended strand (participates in β ladder)trans-138.3149.4163-170.30000109.4M152 I154 L170M152-T182 HydrophobicContact CB-CG2 3.86Å; M152-T182 PolarHBondContact N-O 3.04Å; M152-T182 PolarHBondContact O-N 3.43Å; I154-T182 HydrophobicContact CD1-CG2 3.7Å; L170-T182 HydrophobicContact CD2-CG2 4.32Å; L170-T182 WeakPolarHBondContact CD2-OG1 3.45Å
183T95.1Very high97.2Very high25 Ų2549.8 Ų49.815%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-119146177.6460000110.8I150 R151I150-T183 VanDerWaalsContact O-CA 3.28Å; I150-T183 WeakPolarHBondContact O-CA 3.4Å; R151-T183 HydrophobicContact CB-CG2 4.27Å; R151-T183 HydrophobicContact CG-CG2 4.41Å
184F95.2Very high97.2Very high11 Ų1146.9 Ų46.95%0.04827%0.267CS..EExtended strand (participates in β ladder)trans-154162.4172.469.5-87.3000111.9L144 I150 M152 W163 L168 L170 L211L144-F184 HydrophobicContact CD1-CE2 4.37Å; L144-F184 HydrophobicContact CD1-CZ 3.73Å; I150-F184 HydrophobicContact CB-CE1 4.26Å; I150-F184 HydrophobicContact CB-CZ 4.26Å; I150-F184 HydrophobicContact CD1-CE2 4.04Å; I150-F184 HydrophobicContact CD1-CZ 4.13Å; I150-F184 HydrophobicContact CG2-CE1 4.09Å; I150-F184 HydrophobicContact CG2-CZ 4.23Å; I150-F184 PolarHBondContact N-O 2.94Å; I150-F184 PolarHBondContact O-N 3.49Å; M152-F184 HydrophobicContact CG-CD1 4.23Å; M152-F184 HydrophobicContact CG-CE1 3.56Å; M152-F184 HydrophobicContact SD-CE1 4.31Å; W163-F184 HydrophobicContact CH2-CE1 4.5Å; L168-F184 HydrophobicContact CD1-CD2 3.86Å; L168-F184 HydrophobicContact CD1-CE2 3.64Å; L168-F184 HydrophobicContact CD1-CZ 4.09Å; L168-F184 HydrophobicContact CD2-CD2 4.11Å; L168-F184 HydrophobicContact CD2-CE2 4.44Å; L170-F184 HydrophobicContact CD1-CB 3.85Å; L170-F184 HydrophobicContact CD1-CD1 3.29Å; L170-F184 HydrophobicContact CD1-CD2 4.27Å; L170-F184 HydrophobicContact CD1-CE1 3.76Å; L170-F184 HydrophobicContact CD1-CG 3.56Å; L170-F184 HydrophobicContact CD1-CZ 4.42Å; L170-F184 HydrophobicContact CD2-CB 4.09Å; L170-F184 HydrophobicContact CG-CB 4.39Å; L170-F184 HydrophobicContact CG-CD1 4.5Å; F184-L211 HydrophobicContact CZ-CD1 4.25Å
185T95.5Very high97.2Very high40 Ų4051 Ų5125%0.24529%0.286CS..  trans-130.5124.1168.6-53.80000107.5S14 P15S14-T185 WeakPolarHBondContact CA-O 3.44Å; S14-T185 WeakPolarHBondContact CB-O 3.49Å; P15-T185 WeakPolarHBondContact CD-O 3.34Å
186A96.3Very high97.2Very high0 Ų049 Ų490%028%0.277CS..  trans-88.1133.317200000109.7T13 E147 L168 L213T13-A186 HydrophobicContact CG2-CB 4.39Å; E147-A186 PolarHBondContact N-O 3.07Å; L168-A186 HydrophobicContact CD2-CB 4.05Å; A186-L213 HydrophobicContact CB-CD1 3.31Å; A186-L213 HydrophobicContact CB-CG 3.83Å
187T95.6Very high97.2Very high49 Ų4948.6 Ų48.630%0.30128%0.275SS..  trans-94.8-10.8-175.355.10000113.5T13 P15T13-T187 PolarHBondContact O-N 3.48Å; T13-T187 PolarHBondContact O-OG1 3.23Å; P15-T187 HydrophobicContact CG-CG2 3.96Å
188R96.3Very high97.3Very high96 Ų9647.4 Ų47.436%0.36225%0.247SC..SBendtrans-139.3145.7-174.4-58.8-171.7-55.6-814.5111A12 Y192A12-R188 VanDerWaalsContact O-CZ 3.3Å; A12-R188 PolarHBondContact O-NH1 2.69Å; A12-R188 PolarHBondContact O-NH2 2.75Å; R188-Y192 PolarHBondContact O-OH 2.92Å
189P97.9Very high97.3Very high81 Ų8146.4 Ų46.453%0.52625%0.251SS..  trans-73.1154172.931.3-34.6000110.8I146 Y192 L213I146-P189 HydrophobicContact CD1-CB 4.45Å; I146-P189 HydrophobicContact CG2-CB 4.24Å; P189-Y192 PolarHBondContact O-OH 3.29Å; P189-L213 CarbonylContact C-O 3.56Å; P189-L213 WeakPolarHBondContact CA-O 3.37Å; P189-L213 WeakPolarHBondContact CB-O 3.37Å
190G97.8Very high97.3Very high30 Ų3042.4 Ų42.431%0.30923%0.231SC..EExtended strand (participates in β ladder)trans149.8-174.4177.400000113.5L213G190-L213 PolarHBondContact N-O 3.43Å; G190-L213 PolarHBondContact O-N 3.04Å
191V98.3Very high97.3Very high47 Ų4743.2 Ų43.229%0.28525%0.245SC..EExtended strand (participates in β ladder)trans-109.6123177.8-174.30000109.4Y193 V210 L211 E212V191-Y193 HydrophobicContact CB-CE2 4.21Å; V191-Y193 HydrophobicContact CG1-CD2 4.43Å; V191-Y193 HydrophobicContact CG1-CE1 4.26Å; V191-Y193 HydrophobicContact CG1-CE2 3.69Å; V191-V210 HydrophobicContact CG1-CG1 3.35Å; V191-L211 CarbonylContact C-O 3.54Å; V191-L211 VanDerWaalsContact CA-O 3.31Å; V191-L211 WeakPolarHBondContact CA-O 3.42Å; V191-E212 HydrophobicContact CG2-CG 4.38Å
192Y98.4Very high97.4Very high22 Ų2243.4 Ų43.49%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-118.5134.1-175.7-57.3-72.2000110.5T13 T167 R188 P189 V210 L211 L213T13-Y192 HydrophobicContact CG2-CD1 3.9Å; T13-Y192 HydrophobicContact CG2-CD2 4.05Å; T13-Y192 HydrophobicContact CG2-CE1 3.34Å; T13-Y192 HydrophobicContact CG2-CE2 3.49Å; T13-Y192 VanDerWaalsContact CG2-CE2 3.49Å; T13-Y192 HydrophobicContact CG2-CG 4.23Å; T13-Y192 WeakPolarHBondContact CG2-OH 3.41Å; T13-Y192 WeakPolarHBondContact OG1-CE1 3.25Å; T167-Y192 HydrophobicContact CG2-CD1 4.36Å; T167-Y192 WeakPolarHBondContact OG1-CD1 2.93Å; R188-Y192 PolarHBondContact O-OH 2.92Å; P189-Y192 PolarHBondContact O-OH 3.29Å; Y192-V210 WeakPolarHBondContact O-CA 3.27Å; Y192-L211 PolarHBondContact N-O 2.97Å; Y192-L211 PolarHBondContact O-N 3.4Å; Y192-L213 HydrophobicContact CD2-CB 4.2Å; Y192-L213 HydrophobicContact CD2-CD2 3.92Å; Y192-L213 HydrophobicContact CD2-CG 3.89Å; Y192-L213 HydrophobicContact CE2-CB 3.83Å; Y192-L213 HydrophobicContact CE2-CD2 4.39Å; Y192-L213 HydrophobicContact CE2-CG 3.86Å
193Y98.8Very high97.5Very high29 Ų2945.6 Ų45.611%0.11427%0.27CS..EExtended strand (participates in β ladder)trans-112.3146.9-170.1-62.2-95.4000110.8M1 L133 L136 V191 I209 V210M1-Y193 HydrophobicContact CB-CD2 3.86Å; M1-Y193 HydrophobicContact CB-CG 4.44Å; L133-Y193 HydrophobicContact CD1-CD1 4.32Å; L133-Y193 HydrophobicContact CD1-CD2 4.38Å; L133-Y193 HydrophobicContact CD1-CE1 3.79Å; L133-Y193 HydrophobicContact CD1-CE2 3.85Å; L136-Y193 HydrophobicContact CB-CD1 3.83Å; L136-Y193 HydrophobicContact CB-CE1 4.29Å; V191-Y193 HydrophobicContact CB-CE2 4.21Å; V191-Y193 HydrophobicContact CG1-CD2 4.43Å; V191-Y193 HydrophobicContact CG1-CE1 4.26Å; V191-Y193 HydrophobicContact CG1-CE2 3.69Å; Y193-I209 CarbonylContact C-O 3.58Å; Y193-I209 WeakPolarHBondContact CA-O 3.45Å; Y193-V210 HydrophobicContact CD1-CB 4.5Å; Y193-V210 HydrophobicContact CD1-CG1 4.17Å; Y193-V210 HydrophobicContact CD1-CG2 3.68Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.88Å
194G98.6Very high97.7Very high4 Ų446.9 Ų46.94%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-145.8170179.100000111.1A164 P208 I209A164-G194 WeakPolarHBondContact O-CA 3.49Å; G194-P208 WeakPolarHBondContact O-CA 3.22Å; G194-I209 PolarHBondContact N-O 2.92Å; G194-I209 PolarHBondContact O-N 3.25Å
195Q98.7Very high97.8Very high86 Ų8649.6 Ų49.640%0.40230%0.295SS..EExtended strand (participates in β ladder)trans-143155.7175.7-66.8-171.2-89.800110.1L136 A164 S197 P208L136-Q195 HydrophobicContact CD2-CG 3.79Å; A164-Q195 PolarHBondContact O-N 3.4Å; Q195-S197 PolarHBondContact O-N 2.93Å; Q195-S197 PolarHBondContact O-OG 3.49Å; Q195-P208 HydrophobicContact CG-CB 4.42Å
196C98.6Very high98Very high9 Ų951.3 Ų51.36%0.06130%0.299CS..  trans-56.9128.2171.1-175.10000110.2W106 S162 E198 H204 M207W106-C196 HydrophobicContact CZ2-CB 4.37Å; S162-C196 WeakPolarHBondContact O-CA 3.21Å; C196-E198 PolarHBondContact SG-O 2.8Å; C196-E198 VanDerWaalsContact SG-O 3.34Å; C196-H204 PolarHBondContact O-CE1 3.48Å; C196-M207 HydrophobicContact CB-CE 4.15Å; C196-M207 HydrophobicContact CB-CG 3.64Å; C196-M207 HydrophobicContact CB-SD 3.87Å
197S98.6Very high98.1Very high44 Ų4451.5 Ų51.531%0.30830%0.3SS..  trans-115.122.8-172.5-65.70000113.9S162 A164 K171 Q195S162-S197 PolarHBondContact O-N 3.48Å; A164-S197 VanDerWaalsContact CB-OG 3.23Å; A164-S197 WeakPolarHBondContact CB-OG 3.48Å; K171-S197 PolarHBondContact NZ-O 3.28Å; K171-S197 VanDerWaalsContact NZ-O 3.15Å; Q195-S197 PolarHBondContact O-N 2.93Å; Q195-S197 PolarHBondContact O-OG 3.49Å
198E98.6Very high98.2Very high62 Ų6249.2 Ų49.229%0.2929%0.286SS..SBendtrans-143.6138.9175.3-174.253.2-123.800110.4L160 C196 C200 H204L160-E198 HydrophobicContact CB-CG 3.8Å; C196-E198 PolarHBondContact SG-O 2.8Å; C196-E198 VanDerWaalsContact SG-O 3.34Å; E198-C200 PolarHBondContact O-N 3.22Å; E198-H204 VanDerWaalsContact C-CE1 3.4Å; E198-H204 PolarHBondContact O-CE1 3.48Å; E198-H204 PolarHBondContact O-ND1 3.29Å
199I98.2Very high98.4Very high130 Ų13044.6 Ų44.667%0.66727%0.269SS*.  trans-67.3118.2-171.7-173.2171.2000111.4
200C98Very high98.4Very high4 Ų440.8 Ų40.83%0.02724%0.244CC..  trans-127.114.8-172.5660000115.1Q103 W104 V159 L160 H161 E198 H204 M207Q103-C200 PolarHBondContact NE2-O 3.2Å; W104-C200 PolarHBondContact NE1-O 3.03Å; V159-C200 HydrophobicContact CG2-CB 3.83Å; L160-C200 VanDerWaalsContact O-CB 3.29Å; L160-C200 WeakPolarHBondContact O-CB 3.25Å; H161-C200 VanDerWaalsContact CE1-CB 3.4Å; H161-C200 WeakPolarHBondContact CE1-CB 3.32Å; H161-C200 WeakPolarHBondContact ND1-CB 3.47Å; H161-C200 PolarHBondContact ND1-SG 2.94Å; H161-C200 VanDerWaalsContact ND1-SG 3.42Å; E198-C200 PolarHBondContact O-N 3.22Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; C200-M207 PolarHBondContact SG-SD 3.49Å
201G98.2Very high98.4Very high41 Ų4139.3 Ų39.342%0.42323%0.229SC..SBendtrans113-155.1173.900000114.4N203 H204G201-N203 VanDerWaalsContact C-N 3.35Å; G201-N203 PolarHBondContact O-N 2.88Å; G201-H204 VanDerWaalsContact O-CB 3.31Å; G201-H204 WeakPolarHBondContact O-CB 3.38Å; G201-H204 PolarHBondContact O-N 3.03Å; G201-H204 VanDerWaalsContact O-N 3.15Å
202A97.9Very high98.5Very high82 Ų8240.1 Ų40.168%0.67823%0.229SC*.THydrogen-bonded Turntrans-57.4-40.5-166.100000114.5W104W104-A202 HydrophobicContact CH2-CB 3.92Å; W104-A202 HydrophobicContact CZ2-CB 3.73Å
203N98.1Very high98.4Very high66 Ų6639.1 Ų39.135%0.35323%0.225SC..THydrogen-bonded Turntrans-106.530.3-179.1-64-29.6000112.8W104 G201 S205 F206W104-N203 HydrophobicContact CB-CB 3.7Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.83Å; W104-N203 HydrophobicContact CG-CB 3.44Å; W104-N203 VanDerWaalsContact CG-CB 3.44Å; G201-N203 VanDerWaalsContact C-N 3.35Å; G201-N203 PolarHBondContact O-N 2.88Å; N203-S205 PolarHBondContact O-N 3.02Å; N203-S205 VanDerWaalsContact O-N 3.16Å; N203-F206 HydrophobicContact CB-CB 4.14Å; N203-F206 HydrophobicContact CB-CD2 3.81Å; N203-F206 HydrophobicContact CB-CG 4.48Å; N203-F206 PolarHBondContact O-N 3.01Å
204H98.4Very high98.4Very high51 Ų5139 Ų3924%0.23623%0.227CC..G310 helixtrans-49.5-41176.7168.951.9000113.1C196 E198 C200 G201 F206C196-H204 PolarHBondContact O-CE1 3.48Å; E198-H204 VanDerWaalsContact C-CE1 3.4Å; E198-H204 PolarHBondContact O-CE1 3.48Å; E198-H204 PolarHBondContact O-ND1 3.29Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; G201-H204 VanDerWaalsContact O-CB 3.31Å; G201-H204 WeakPolarHBondContact O-CB 3.38Å; G201-H204 PolarHBondContact O-N 3.03Å; G201-H204 VanDerWaalsContact O-N 3.15Å; H204-F206 PolarHBondContact O-N 3.25Å
205S98.1Very high98.3Very high69 Ų6941.5 Ų41.548%0.48324%0.242SC..G310 helixtrans-76.1-2.2179.4-49.80000115N203N203-S205 PolarHBondContact O-N 3.02Å; N203-S205 VanDerWaalsContact O-N 3.16Å
206F98.5Very high98.1Very high76 Ų7641.2 Ų41.233%0.33324%0.243SC..G310 helixtrans-123.228.7-167.3-53.4-55000113.4M122 L135 N203 H204M122-F206 WeakPolarHBondContact CB-O 3.35Å; M122-F206 HydrophobicContact CE-CB 3.71Å; M122-F206 HydrophobicContact CE-CD1 3.84Å; M122-F206 HydrophobicContact CE-CG 4.04Å; M122-F206 HydrophobicContact SD-CB 3.72Å; M122-F206 HydrophobicContact SD-CD1 3.83Å; M122-F206 HydrophobicContact SD-CG 4.24Å; L135-F206 HydrophobicContact CD1-CD1 4.45Å; L135-F206 HydrophobicContact CD1-CE1 4.08Å; L135-F206 HydrophobicContact CD2-CD1 3.79Å; L135-F206 HydrophobicContact CD2-CE1 3.75Å; N203-F206 HydrophobicContact CB-CB 4.14Å; N203-F206 HydrophobicContact CB-CD2 3.81Å; N203-F206 HydrophobicContact CB-CG 4.48Å; N203-F206 PolarHBondContact O-N 3.01Å; H204-F206 PolarHBondContact O-N 3.25Å
207M98.5Very high97.8Very high3 Ų349 Ų492%0.01528%0.276CS..  trans-130.668.1175.552.5175.8-56.400110.9W104 W106 H161 C196 C200W104-M207 HydrophobicContact CB-CB 4.38Å; W104-M207 HydrophobicContact CB-SD 4.25Å; W106-M207 HydrophobicContact CD2-CE 4.22Å; W106-M207 HydrophobicContact CG-CE 4.48Å; W106-M207 HydrophobicContact CZ2-CE 3.85Å; W106-M207 PolarHBondContact NE1-O 3.21Å; H161-M207 VanDerWaalsContact ND1-CE 3.32Å; H161-M207 WeakPolarHBondContact ND1-CE 3.48Å; H161-M207 PolarHBondContact ND1-SD 3.29Å; C196-M207 HydrophobicContact CB-CE 4.15Å; C196-M207 HydrophobicContact CB-CG 3.64Å; C196-M207 HydrophobicContact CB-SD 3.87Å; C200-M207 PolarHBondContact SG-SD 3.49Å
208P98.7Very high97.6Very high1 Ų151.3 Ų51.31%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-70.3169.5-17933.2-34.7000111.8M122 L135 L136 V138 G194 Q195M122-P208 HydrophobicContact CB-CG 4.02Å; M122-P208 HydrophobicContact CG-CG 3.97Å; L135-P208 WeakPolarHBondContact O-CG 3.25Å; L136-P208 WeakPolarHBondContact O-CB 3.37Å; L136-P208 WeakPolarHBondContact O-CG 3.36Å; V138-P208 HydrophobicContact CG1-CG 3.68Å; G194-P208 WeakPolarHBondContact O-CA 3.22Å; Q195-P208 HydrophobicContact CG-CB 4.42Å
209I98.9Very high97.3Very high0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-123.7131.2177.9-64.7155.4000106.6W106 W163 V165 Y193 G194 L211W106-I209 HydrophobicContact CD2-CG1 4.5Å; W106-I209 HydrophobicContact CG-CG1 4.42Å; W106-I209 HydrophobicContact CZ2-CD1 4.1Å; W163-I209 HydrophobicContact CB-CD1 4.29Å; W163-I209 HydrophobicContact CD2-CD1 4.2Å; W163-I209 HydrophobicContact CG-CD1 3.73Å; W163-I209 HydrophobicContact CZ2-CG2 3.94Å; V165-I209 HydrophobicContact CG2-CG2 3.77Å; Y193-I209 CarbonylContact C-O 3.58Å; Y193-I209 WeakPolarHBondContact CA-O 3.45Å; G194-I209 PolarHBondContact N-O 2.92Å; G194-I209 PolarHBondContact O-N 3.25Å; I209-L211 HydrophobicContact CG2-CD2 4.31Å
210V98.8Very high96.9Very high0 Ų049.4 Ų49.40%027%0.272CS..EExtended strand (participates in β ladder)trans-131120.3176.1-172.30000109.3L136 V138 R141 V142 V191 Y192 Y193L136-V210 WeakPolarHBondContact O-CG2 3.34Å; V138-V210 HydrophobicContact CB-CG2 4.34Å; V138-V210 HydrophobicContact CG1-CG2 3.93Å; V138-V210 HydrophobicContact CG2-CB 3.69Å; V138-V210 HydrophobicContact CG2-CG2 3.62Å; R141-V210 HydrophobicContact CB-CG1 4.35Å; R141-V210 HydrophobicContact CG-CB 4.02Å; R141-V210 HydrophobicContact CG-CG1 3.69Å; V142-V210 PolarHBondContact N-O 3.35Å; V191-V210 HydrophobicContact CG1-CG1 3.35Å; Y192-V210 WeakPolarHBondContact O-CA 3.27Å; Y193-V210 HydrophobicContact CD1-CB 4.5Å; Y193-V210 HydrophobicContact CD1-CG1 4.17Å; Y193-V210 HydrophobicContact CD1-CG2 3.68Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.88Å
211L98.6Very high95.9Very high0 Ų058.8 Ų58.80%032%0.317CS..EExtended strand (participates in β ladder)trans-102.3134.1173.7-54.6-173.9000109.6V142 L144 W163 V165 L168 F184 V191 Y192 I209 L213V142-L211 HydrophobicContact CB-CD2 3.59Å; V142-L211 HydrophobicContact CG1-CD2 3.92Å; V142-L211 HydrophobicContact CG2-CD2 4.12Å; V142-L211 CarbonylContact O-C 3.56Å; V142-L211 WeakPolarHBondContact O-CA 3.14Å; L144-L211 HydrophobicContact CD1-CD1 4.15Å; L144-L211 HydrophobicContact CD1-CD2 3.99Å; L144-L211 HydrophobicContact CD1-CG 4.47Å; W163-L211 HydrophobicContact CH2-CD1 4.1Å; W163-L211 HydrophobicContact CH2-CD2 4.41Å; W163-L211 HydrophobicContact CZ2-CD1 4.41Å; W163-L211 HydrophobicContact CZ2-CD2 3.93Å; V165-L211 HydrophobicContact CB-CD1 4.47Å; V165-L211 HydrophobicContact CG1-CD1 4.15Å; V165-L211 HydrophobicContact CG2-CD1 4Å; V165-L211 HydrophobicContact CG2-CG 4.25Å; L168-L211 HydrophobicContact CD1-CD1 3.46Å; L168-L211 VanDerWaalsContact CD1-CD1 3.46Å; F184-L211 HydrophobicContact CZ-CD1 4.25Å; V191-L211 CarbonylContact C-O 3.54Å; V191-L211 VanDerWaalsContact CA-O 3.31Å; V191-L211 WeakPolarHBondContact CA-O 3.42Å; Y192-L211 PolarHBondContact N-O 2.97Å; Y192-L211 PolarHBondContact O-N 3.4Å; I209-L211 HydrophobicContact CG2-CD2 4.31Å; L211-L213 HydrophobicContact CB-CD2 3.56Å; L211-L213 HydrophobicContact CD1-CD2 4.45Å
212E98.5Very high95.8Very high63 Ų6359.7 Ų59.729%0.29431%0.312SS..EExtended strand (participates in β ladder)trans-114.6111.1172.2-177.4166.9164.100109.3R141 V142 V143 L144 V191 I214R141-E212 HydrophobicContact CB-CB 4.3Å; R141-E212 WeakPolarHBondContact CD-OE2 3.41Å; R141-E212 IonicContact NH1-OE2 3.66Å; V142-E212 PolarHBondContact O-N 3.24Å; V143-E212 CarbonylContact C-O 3.55Å; V143-E212 VanDerWaalsContact CA-O 3.3Å; V143-E212 WeakPolarHBondContact CA-O 3.3Å; V143-E212 HydrophobicContact CG2-CB 4.33Å; L144-E212 PolarHBondContact N-O 3.06Å; V191-E212 HydrophobicContact CG2-CG 4.38Å; E212-I214 HydrophobicContact CG-CG2 4.1Å
213L98.1Very high95.7Very high1 Ų158.5 Ų58.51%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-101.3117.1-172.1-85.2-75.5000108.8L144 I146 A186 P189 G190 Y192 L211L144-L213 HydrophobicContact CB-CD1 3.96Å; L144-L213 HydrophobicContact CB-CD2 4.13Å; L144-L213 HydrophobicContact CD1-CD2 4.24Å; L144-L213 WeakPolarHBondContact O-CA 3.49Å; I146-L213 HydrophobicContact CG2-CB 3.79Å; I146-L213 HydrophobicContact CG2-CD1 4.13Å; A186-L213 HydrophobicContact CB-CD1 3.31Å; A186-L213 HydrophobicContact CB-CG 3.83Å; P189-L213 CarbonylContact C-O 3.56Å; P189-L213 WeakPolarHBondContact CA-O 3.37Å; P189-L213 WeakPolarHBondContact CB-O 3.37Å; G190-L213 PolarHBondContact N-O 3.43Å; G190-L213 PolarHBondContact O-N 3.04Å; Y192-L213 HydrophobicContact CD2-CB 4.2Å; Y192-L213 HydrophobicContact CD2-CD2 3.92Å; Y192-L213 HydrophobicContact CD2-CG 3.89Å; Y192-L213 HydrophobicContact CE2-CB 3.83Å; Y192-L213 HydrophobicContact CE2-CD2 4.39Å; Y192-L213 HydrophobicContact CE2-CG 3.86Å; L211-L213 HydrophobicContact CB-CD2 3.56Å; L211-L213 HydrophobicContact CD1-CD2 4.45Å
214I98Very high95.6Very high27 Ų2758.1 Ų58.114%0.13829%0.29CS..EExtended strand (participates in β ladder)trans-132.7161.4-173.757.9169.4000111.8V143 L144 P145 I146 E212 I218 F219V143-I214 HydrophobicContact CG1-CD1 3.35Å; V143-I214 HydrophobicContact CG1-CG1 3.72Å; L144-I214 PolarHBondContact O-N 2.92Å; P145-I214 CarbonylContact C-O 3.57Å; P145-I214 VanDerWaalsContact CA-O 3.27Å; P145-I214 WeakPolarHBondContact CA-O 3.33Å; I146-I214 PolarHBondContact N-O 3.24Å; E212-I214 HydrophobicContact CG-CG2 4.1Å; I214-I218 HydrophobicContact CD1-CB 4.1Å; I214-I218 HydrophobicContact CD1-CG2 3.89Å; I214-F219 HydrophobicContact CD1-CB 4.03Å; I214-F219 HydrophobicContact CG1-CB 4.12Å
215P97.2Very high95.4Very high57 Ų5758.5 Ų58.537%0.3729%0.293SS..  trans-57.3140.2172.5-25.735.3000112.8I146 K217 I218 F219I146-P215 HydrophobicContact CD1-CG 4.41Å; P215-K217 PolarHBondContact O-N 2.88Å; P215-K217 VanDerWaalsContact O-N 3.11Å; P215-I218 HydrophobicContact CG-CD1 4.34Å; P215-I218 PolarHBondContact O-N 3.34Å; P215-F219 PolarHBondContact O-N 3.37Å; P215-F219 VanDerWaalsContact O-N 3.14Å
216L93.4Very high95.3Very high80 Ų8057.8 Ų57.842%0.41928%0.281SS..Hα-helixtrans-50-41.6-177.5-179.364.7000113.5P145 I218 F219 E220P145-L216 HydrophobicContact CB-CB 4.27Å; P145-L216 HydrophobicContact CB-CD1 3.78Å; P145-L216 HydrophobicContact CG-CD1 4.25Å; L216-I218 PolarHBondContact O-N 2.68Å; L216-F219 HydrophobicContact CD1-CD1 4.06Å; L216-F219 WeakPolarHBondContact O-CB 3.16Å; L216-F219 PolarHBondContact O-N 3.44Å; L216-F219 VanDerWaalsContact O-N 3.13Å; L216-E220 HydrophobicContact CD1-CG 4.12Å; L216-E220 HydrophobicContact CG-CG 4.42Å; L216-E220 WeakPolarHBondContact O-CG 3.18Å; L216-E220 PolarHBondContact O-N 3.14Å
217K93.4Very high95Very high171 Ų17156.6 Ų56.674%0.74328%0.277SS*.Hα-helixtrans-58.9-33.6178.8-68.4-174.5179.5-179.80113.6P215 M221P215-K217 PolarHBondContact O-N 2.88Å; P215-K217 VanDerWaalsContact O-N 3.11Å; K217-M221 WeakPolarHBondContact O-CE 3.4Å; K217-M221 WeakPolarHBondContact O-CG 3.34Å
218I94.3Very high94.8Very high93 Ų9360.4 Ų60.448%0.47730%0.296SS..Hα-helixtrans-82.5-35.6178.7-55.2179.2000109.9I214 P215 L216 E220 M221I214-I218 HydrophobicContact CD1-CB 4.1Å; I214-I218 HydrophobicContact CD1-CG2 3.89Å; P215-I218 HydrophobicContact CG-CD1 4.34Å; P215-I218 PolarHBondContact O-N 3.34Å; L216-I218 PolarHBondContact O-N 2.68Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 3.45Å; I218-M221 HydrophobicContact CG1-CE 4.18Å; I218-M221 PolarHBondContact O-N 3.2Å
219F92.4Very high94.5Very high33 Ų3365 Ų6515%0.14532%0.318CS..Hα-helixtrans-60-35.9174.7172.1-100.2000113.2L95 Y110 Y113 V143 P145 I214 P215 L216L95-F219 HydrophobicContact CD2-CE1 4.06Å; L95-F219 HydrophobicContact CD2-CE2 4.45Å; L95-F219 HydrophobicContact CD2-CZ 3.67Å; Y110-F219 HydrophobicContact CD1-CZ 4.34Å; Y110-F219 AromaticContact CE1-CE2 3.98Å; Y110-F219 HydrophobicContact CE1-CE2 3.98Å; Y110-F219 HydrophobicContact CE1-CZ 4.11Å; Y113-F219 HydrophobicContact CD2-CE1 4.5Å; Y113-F219 AromaticContact CE2-CE1 3.9Å; Y113-F219 HydrophobicContact CE2-CE1 3.9Å; Y113-F219 HydrophobicContact CE2-CZ 4.33Å; V143-F219 HydrophobicContact CG1-CD2 4.29Å; V143-F219 WeakPolarHBondContact O-CE2 3.42Å; P145-F219 HydrophobicContact CB-CB 4.42Å; P145-F219 HydrophobicContact CB-CD1 4.34Å; P145-F219 HydrophobicContact CB-CG 4.33Å; P145-F219 HydrophobicContact CG-CD1 4.22Å; P145-F219 HydrophobicContact CG-CE1 4.41Å; P145-F219 HydrophobicContact CG-CG 4.45Å; I214-F219 HydrophobicContact CD1-CB 4.03Å; I214-F219 HydrophobicContact CG1-CB 4.12Å; P215-F219 PolarHBondContact O-N 3.37Å; P215-F219 VanDerWaalsContact O-N 3.14Å; L216-F219 HydrophobicContact CD1-CD1 4.06Å; L216-F219 WeakPolarHBondContact O-CB 3.16Å; L216-F219 PolarHBondContact O-N 3.44Å; L216-F219 VanDerWaalsContact O-N 3.13Å
220E87.8Confident94.1Very high119 Ų11970.4 Ų70.456%0.55635%0.345SS*.THydrogen-bonded Turntrans-84.4-10.2-179.7-66.2178.115800114.6L216 I218L216-E220 HydrophobicContact CD1-CG 4.12Å; L216-E220 HydrophobicContact CG-CG 4.42Å; L216-E220 WeakPolarHBondContact O-CG 3.18Å; L216-E220 PolarHBondContact O-N 3.14Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 3.45Å
221M79.1Confident93.7Very high201 Ų20176.8 Ų76.899%0.9938%0.376SS*.  trans-82.60-179.9-84.3-169.3-91.200112K217 I218K217-M221 WeakPolarHBondContact O-CE 3.4Å; K217-M221 WeakPolarHBondContact O-CG 3.34Å; I218-M221 HydrophobicContact CG1-CE 4.18Å; I218-M221 PolarHBondContact O-N 3.2Å

Retrieved 221 of 221 residues in 61.8 ms (Link to these results)

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