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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 A0A059RQT0, Species HUMAN (Homo sapiens, Human), Gene COX2, Length 227 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.6Very high96.7Very high88 Ų8886.5 Ų86.543%0.43355%0.545SS..  0167.4067.4174.3-72.500109.3Q10 L133 L136 Y193M1-Q10 VanDerWaalsContact C-CD 3.42Å; M1-Q10 VanDerWaalsContact C-OE1 3.25Å; M1-L133 HydrophobicContact CE-CD1 3.71Å; M1-L133 HydrophobicContact CE-CD2 3.8Å; M1-L133 HydrophobicContact CE-CG 4.31Å; M1-L133 HydrophobicContact SD-CD1 3.19Å; M1-L133 WeakPolarHBondContact SD-CD1 3.33Å; M1-L133 HydrophobicContact SD-CD2 3.85Å; M1-L133 HydrophobicContact SD-CG 4.13Å; M1-L136 HydrophobicContact CE-CD1 3.81Å; M1-Y193 HydrophobicContact CB-CD2 3.88Å; M1-Y193 HydrophobicContact CB-CG 4.45Å
2A96.6Very high96.8Very high49 Ų4980.1 Ų80.141%0.40551%0.506SS..  trans-67.5144172.100000111.1Q10A2-Q10 HydrophobicContact CB-CG 4.49Å; A2-Q10 VanDerWaalsContact N-CD 3.28Å; A2-Q10 VanDerWaalsContact N-NE2 3.13Å
3H96.5Very high96.9Very high122 Ų12274.2 Ų74.257%0.56547%0.468SS*.  trans-113.1165.317460.859.1000111.3A5 Q6H3-A5 PolarHBondContact O-N 2.69Å; H3-Q6 VanDerWaalsContact CE1-CB 3.48Å; H3-Q6 WeakPolarHBondContact CE1-CB 3.4Å; H3-Q6 VanDerWaalsContact N-OE1 3.17Å; H3-Q6 WeakPolarHBondContact O-CB 3.27Å; H3-Q6 PolarHBondContact O-N 3.22Å
4A97.1Very high96.8Very high96 Ų9669 Ų6979%0.79344%0.436SS*.THydrogen-bonded Turntrans-57.2141.4177.800000111.1Q6A4-Q6 PolarHBondContact O-N 2.76Å; A4-Q6 VanDerWaalsContact O-N 3.16Å
5A96.9Very high96.8Very high102 Ų10268.7 Ų68.784%0.84343%0.434SS*.THydrogen-bonded Turntrans56.324.8179.900000115.5H3H3-A5 PolarHBondContact O-N 2.69Å
6Q97.6Very high96.7Very high50 Ų5066.8 Ų66.823%0.23442%0.42CS..  trans-66.4136.4173.5-167.9169.65.600111.6H3 A4 G8 L9 Q10H3-Q6 VanDerWaalsContact CE1-CB 3.48Å; H3-Q6 WeakPolarHBondContact CE1-CB 3.4Å; H3-Q6 VanDerWaalsContact N-OE1 3.17Å; H3-Q6 WeakPolarHBondContact O-CB 3.27Å; H3-Q6 PolarHBondContact O-N 3.22Å; A4-Q6 PolarHBondContact O-N 2.76Å; A4-Q6 VanDerWaalsContact O-N 3.16Å; Q6-G8 PolarHBondContact NE2-O 3.08Å; Q6-L9 VanDerWaalsContact NE2-C 3.3Å; Q6-L9 PolarHBondContact NE2-O 3.06Å; Q6-Q10 VanDerWaalsContact NE2-CA 3.33Å
7V96.5Very high96.8Very high149 Ų14963.6 Ų63.690%0.90340%0.399SS*.  trans-109.2-36.2178.5179.30000112
8G96.3Very high96.9Very high54 Ų5465.2 Ų65.256%0.55740%0.401SS*.SBendtrans-95.3-169.8-178.100000114.1Q6Q6-G8 PolarHBondContact NE2-O 3.08Å
9L97.9Very high96.9Very high78 Ų7865.2 Ų65.241%0.40840%0.395SS..PPolyproline II helixtrans-65.6159170.8-63.7171.8000110.9Q6 M17 I21 H24Q6-L9 VanDerWaalsContact NE2-C 3.3Å; Q6-L9 PolarHBondContact NE2-O 3.06Å; L9-M17 HydrophobicContact CB-CE 4.02Å; L9-M17 HydrophobicContact CD1-CE 4.01Å; L9-M17 HydrophobicContact CD2-CE 4.42Å; L9-M17 HydrophobicContact CG-CE 4.37Å; L9-I21 HydrophobicContact CB-CG1 4.26Å; L9-I21 HydrophobicContact CD1-CG1 3.86Å; L9-H24 HydrophobicContact CD1-CB 4.14Å
10Q98.1Very high97Very high36 Ų3664.7 Ų64.717%0.16839%0.39CS..PPolyproline II helixtrans-70.8151.4170.1-60.4-178.623.900110.3M1 A2 Q6 A12 T167M1-Q10 VanDerWaalsContact C-CD 3.42Å; M1-Q10 VanDerWaalsContact C-OE1 3.25Å; A2-Q10 HydrophobicContact CB-CG 4.49Å; A2-Q10 VanDerWaalsContact N-CD 3.28Å; A2-Q10 VanDerWaalsContact N-NE2 3.13Å; Q6-Q10 VanDerWaalsContact NE2-CA 3.33Å; Q10-A12 PolarHBondContact O-N 3.32Å; Q10-T167 HydrophobicContact CB-CG2 3.86Å
11D97.9Very high97.1Very high128 Ų12863.6 Ų63.668%0.68438%0.382SS*.PPolyproline II helixtrans-54.9129.8178-64.9-13000111.2
12A98Very high97.3Very high9 Ų963.2 Ų63.27%0.07439%0.385CS..PPolyproline II helixtrans-68.2133.4-177.300000112.1Q10 M17 E18 I21 R188Q10-A12 PolarHBondContact O-N 3.32Å; A12-M17 HydrophobicContact CB-CB 3.68Å; A12-M17 HydrophobicContact CB-CG 3.6Å; A12-E18 HydrophobicContact CB-CB 4.24Å; A12-E18 HydrophobicContact CB-CG 3.46Å; A12-E18 VanDerWaalsContact CB-CG 3.46Å; A12-I21 HydrophobicContact CB-CD1 3.71Å; A12-R188 VanDerWaalsContact O-CZ 3.24Å; A12-R188 PolarHBondContact O-NH1 3.48Å; A12-R188 PolarHBondContact O-NH2 2.82Å
13T97Very high97.4Very high3 Ų363 Ų632%0.01837%0.374CS..  trans-118.52.4-178.860.90000112.6T167 L168 A186 T187 Y192T13-T167 HydrophobicContact CG2-CG2 4.49Å; T13-T167 PolarHBondContact N-O 3.43Å; T13-T167 WeakPolarHBondContact OG1-CB 3.34Å; T13-T167 PolarHBondContact OG1-O 3.41Å; T13-T167 PolarHBondContact OG1-OG1 2.81Å; T13-T167 VanDerWaalsContact OG1-OG1 3.05Å; T13-L168 WeakPolarHBondContact OG1-CD2 3.49Å; T13-L168 WeakPolarHBondContact OG1-CG 3.5Å; T13-A186 WeakPolarHBondContact O-CA 3.36Å; T13-T187 PolarHBondContact O-N 3.44Å; T13-T187 VanDerWaalsContact O-N 3.15Å; T13-T187 PolarHBondContact O-OG1 2.86Å; T13-Y192 HydrophobicContact CG2-CD1 3.65Å; T13-Y192 HydrophobicContact CG2-CE1 3.07Å
14S96.6Very high97.5Very high2 Ų260.7 Ų60.71%0.01436%0.364CS..SBendtrans-132155.3171.367.40000109.6I16 M17 E18 L168 T185S14-I16 VanDerWaalsContact C-N 3.26Å; S14-I16 PolarHBondContact O-N 3.25Å; S14-M17 PolarHBondContact O-N 3.06Å; S14-M17 WeakPolarHBondContact OG-CB 3.27Å; S14-M17 PolarHBondContact OG-N 3.11Å; S14-E18 PolarHBondContact O-N 3.3Å; S14-L168 VanDerWaalsContact OG-C 3.32Å; S14-L168 PolarHBondContact OG-O 3.48Å; S14-T185 WeakPolarHBondContact CA-O 3.26Å; S14-T185 VanDerWaalsContact CB-O 3.29Å; S14-T185 WeakPolarHBondContact CB-O 3.34Å
15P96.1Very high97.6Very high64 Ų6460.3 Ų60.342%0.41635%0.349SS..Hα-helixtrans-60.3-35.6176.5-23.635.2000112.9M17 E18 E19 T185 T187P15-M17 PolarHBondContact O-N 3.42Å; P15-E18 WeakPolarHBondContact O-CB 3.15Å; P15-E18 PolarHBondContact O-N 3.33Å; P15-E19 PolarHBondContact O-N 3.44Å; P15-E19 VanDerWaalsContact O-N 3.12Å; P15-T185 WeakPolarHBondContact CD-O 3.48Å; P15-T187 HydrophobicContact CG-CG2 3.96Å
16I96.1Very high97.7Very high39 Ų3958.5 Ų58.520%0.232%0.322CS..Hα-helixtrans-64.5-40.7177.4-62.7-61.1000111.1S14 E18 E19 L20 M86 T87S14-I16 VanDerWaalsContact C-N 3.26Å; S14-I16 PolarHBondContact O-N 3.25Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 2.71Å; I16-E19 PolarHBondContact O-N 3.12Å; I16-L20 HydrophobicContact CG2-CD1 4.15Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 2.8Å; I16-M86 HydrophobicContact CD1-CB 4.27Å; I16-T87 HydrophobicContact CG2-CG2 4.4Å
17M97.9Very high97.7Very high12 Ų1257 Ų576%0.05932%0.319CS..Hα-helixtrans-67.3-31177-171.160.7-171.400112.1L9 A12 S14 P15 L20 I21 T167 G169L9-M17 HydrophobicContact CB-CE 4.02Å; L9-M17 HydrophobicContact CD1-CE 4.01Å; L9-M17 HydrophobicContact CD2-CE 4.42Å; L9-M17 HydrophobicContact CG-CE 4.37Å; A12-M17 HydrophobicContact CB-CB 3.68Å; A12-M17 HydrophobicContact CB-CG 3.6Å; S14-M17 PolarHBondContact O-N 3.06Å; S14-M17 WeakPolarHBondContact OG-CB 3.27Å; S14-M17 PolarHBondContact OG-N 3.11Å; P15-M17 PolarHBondContact O-N 3.42Å; M17-L20 PolarHBondContact O-N 3.03Å; M17-L20 HydrophobicContact SD-CB 4.19Å; M17-L20 HydrophobicContact SD-CD1 4.07Å; M17-I21 HydrophobicContact CE-CD1 4.36Å; M17-I21 HydrophobicContact CE-CG1 4.06Å; M17-I21 WeakPolarHBondContact O-CG1 3.39Å; M17-I21 PolarHBondContact O-N 3.39Å; M17-T167 WeakPolarHBondContact CB-O 3.43Å; M17-T167 WeakPolarHBondContact CG-O 3.33Å; M17-G169 VanDerWaalsContact SD-CA 3.57Å
18E98Very high97.8Very high93 Ų9352.6 Ų52.644%0.43529%0.29SS..Hα-helixtrans-63.1-46.9172.4-67.2175.9-165.500111A12 S14 P15 I16 L20 I21 T22A12-E18 HydrophobicContact CB-CB 4.24Å; A12-E18 HydrophobicContact CB-CG 3.46Å; A12-E18 VanDerWaalsContact CB-CG 3.46Å; S14-E18 PolarHBondContact O-N 3.3Å; P15-E18 WeakPolarHBondContact O-CB 3.15Å; P15-E18 PolarHBondContact O-N 3.33Å; I16-E18 VanDerWaalsContact C-N 3.28Å; I16-E18 PolarHBondContact O-N 2.71Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.2Å; E18-I21 PolarHBondContact O-N 3.22Å; E18-T22 WeakPolarHBondContact O-CG2 3.48Å; E18-T22 PolarHBondContact O-N 2.9Å; E18-T22 VanDerWaalsContact O-N 3.07Å
19E97.9Very high97.9Very high64 Ų6455.6 Ų55.630%0.29929%0.291SS..Hα-helixtrans-62.6-35.3174.7-67.1-67.4147.700112.5P15 I16 T22 F23 I83 M86P15-E19 PolarHBondContact O-N 3.44Å; P15-E19 VanDerWaalsContact O-N 3.12Å; I16-E19 PolarHBondContact O-N 3.12Å; E19-T22 WeakPolarHBondContact CA-OG1 3.36Å; E19-T22 PolarHBondContact O-N 3.34Å; E19-T22 PolarHBondContact O-OG1 2.91Å; E19-F23 WeakPolarHBondContact O-CB 3.4Å; E19-F23 PolarHBondContact O-N 2.67Å; E19-I83 HydrophobicContact CB-CD1 4.08Å; E19-I83 HydrophobicContact CB-CG1 4.13Å; E19-I83 WeakPolarHBondContact O-CD1 3.3Å; E19-M86 HydrophobicContact CG-CE 4.41Å
20L98.3Very high97.9Very high55 Ų5552.6 Ų52.629%0.28828%0.275SS..Hα-helixtrans-66.9-38.5175.3-72.3172000112.2I16 M17 E18 H24 I83I16-L20 HydrophobicContact CG2-CD1 4.15Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 2.8Å; M17-L20 PolarHBondContact O-N 3.03Å; M17-L20 HydrophobicContact SD-CB 4.19Å; M17-L20 HydrophobicContact SD-CD1 4.07Å; E18-L20 VanDerWaalsContact C-N 3.3Å; E18-L20 PolarHBondContact O-N 3.2Å; L20-H24 VanDerWaalsContact O-CB 3.25Å; L20-H24 WeakPolarHBondContact O-CB 3.29Å; L20-H24 PolarHBondContact O-N 2.84Å; L20-I83 HydrophobicContact CD2-CG2 3.92Å; L20-I83 HydrophobicContact CG-CG2 4.4Å
21I98.6Very high97.9Very high42 Ų4255.2 Ų55.222%0.21529%0.289CS..Hα-helixtrans-65.3-45.4175.5-68.2172.7000110.3L9 A12 M17 E18 F23 H24 D25L9-I21 HydrophobicContact CB-CG1 4.26Å; L9-I21 HydrophobicContact CD1-CG1 3.86Å; A12-I21 HydrophobicContact CB-CD1 3.71Å; M17-I21 HydrophobicContact CE-CD1 4.36Å; M17-I21 HydrophobicContact CE-CG1 4.06Å; M17-I21 WeakPolarHBondContact O-CG1 3.39Å; M17-I21 PolarHBondContact O-N 3.39Å; E18-I21 PolarHBondContact O-N 3.22Å; I21-F23 VanDerWaalsContact C-N 3.35Å; I21-F23 PolarHBondContact O-N 3.44Å; I21-H24 WeakPolarHBondContact O-CB 3.35Å; I21-H24 PolarHBondContact O-N 3.47Å; I21-D25 PolarHBondContact O-N 3.15Å
22T98.3Very high98Very high81 Ų8155.5 Ų55.550%0.49728%0.284SS..Hα-helixtrans-65.4-39179.261.10000112E18 E19 D25 H26E18-T22 WeakPolarHBondContact O-CG2 3.48Å; E18-T22 PolarHBondContact O-N 2.9Å; E18-T22 VanDerWaalsContact O-N 3.07Å; E19-T22 WeakPolarHBondContact CA-OG1 3.36Å; E19-T22 PolarHBondContact O-N 3.34Å; E19-T22 PolarHBondContact O-OG1 2.91Å; T22-D25 PolarHBondContact O-N 2.89Å; T22-H26 PolarHBondContact O-N 3.22Å; T22-H26 VanDerWaalsContact O-N 3.08Å
23F98.6Very high98Very high43 Ų4360.6 Ų60.619%0.18931%0.31CS..Hα-helixtrans-66-41.6173.7172.4-112.3000112.5E19 I21 D25 H26 A27 I76 P79 S80 I83E19-F23 WeakPolarHBondContact O-CB 3.4Å; E19-F23 PolarHBondContact O-N 2.67Å; I21-F23 VanDerWaalsContact C-N 3.35Å; I21-F23 PolarHBondContact O-N 3.44Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.39Å; F23-H26 PolarHBondContact O-N 2.97Å; F23-A27 PolarHBondContact O-N 2.76Å; F23-I76 HydrophobicContact CE2-CG2 4.12Å; F23-I76 WeakPolarHBondContact CE2-O 3.35Å; F23-I76 HydrophobicContact CZ-CG2 4.05Å; F23-P79 HydrophobicContact CD2-CB 4.09Å; F23-P79 HydrophobicContact CD2-CG 4.06Å; F23-P79 HydrophobicContact CE2-CG 4.11Å; F23-S80 VanDerWaalsContact CZ-CB 3.49Å; F23-I83 HydrophobicContact CB-CD1 3.44Å; F23-I83 VanDerWaalsContact CB-CD1 3.44Å; F23-I83 HydrophobicContact CG-CD1 3.98Å
24H98.7Very high98Very high74 Ų7463.9 Ų63.934%0.34333%0.327SS..Hα-helixtrans-56.2-47.3173.9168.2-85.4000111L9 L20 I21 H26 A27 L28L9-H24 HydrophobicContact CD1-CB 4.14Å; L20-H24 VanDerWaalsContact O-CB 3.25Å; L20-H24 WeakPolarHBondContact O-CB 3.29Å; L20-H24 PolarHBondContact O-N 2.84Å; I21-H24 WeakPolarHBondContact O-CB 3.35Å; I21-H24 PolarHBondContact O-N 3.47Å; H24-H26 PolarHBondContact O-N 2.99Å; H24-A27 PolarHBondContact O-N 3.14Å; H24-L28 WeakPolarHBondContact O-CB 3.24Å; H24-L28 PolarHBondContact O-N 2.91Å
25D98.4Very high98.1Very high89 Ų8967.1 Ų67.148%0.47635%0.349SS..Hα-helixtrans-65.4-39.1-179.5-70.3-8.5000112.3I21 T22 F23 L28 M29I21-D25 PolarHBondContact O-N 3.15Å; T22-D25 PolarHBondContact O-N 2.89Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.39Å; D25-L28 PolarHBondContact O-N 2.93Å; D25-M29 WeakPolarHBondContact O-CB 3.4Å; D25-M29 PolarHBondContact O-N 2.97Å
26H98.5Very high98.2Very high63 Ų6371 Ų7129%0.29236%0.359SS..Hα-helixtrans-60.5-47.6172.9174.768.4000112.2T22 F23 H24 I30 L75T22-H26 PolarHBondContact O-N 3.22Å; T22-H26 VanDerWaalsContact O-N 3.08Å; F23-H26 PolarHBondContact O-N 2.97Å; H24-H26 PolarHBondContact O-N 2.99Å; H26-I30 PolarHBondContact O-N 3.18Å; H26-L75 PolarHBondContact NE2-O 3Å
27A98.5Very high98.3Very high19 Ų1974 Ų7416%0.15738%0.375CS..Hα-helixtrans-65.4-42177.400000111.7F23 H24 M29 I30 I31F23-A27 PolarHBondContact O-N 2.76Å; H24-A27 PolarHBondContact O-N 3.14Å; A27-M29 PolarHBondContact O-N 3.3Å; A27-I30 PolarHBondContact O-N 2.88Å; A27-I31 WeakPolarHBondContact O-CG1 3.29Å; A27-I31 PolarHBondContact O-N 2.77Å
28L98.3Very high98.3Very high57 Ų5777.2 Ų77.230%0.29840%0.395SS..Hα-helixtrans-64.9-39-180-175.661.7000111.8H24 D25 I30 I31 F32H24-L28 WeakPolarHBondContact O-CB 3.24Å; H24-L28 PolarHBondContact O-N 2.91Å; D25-L28 PolarHBondContact O-N 2.93Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 3.44Å; L28-I31 PolarHBondContact O-N 2.79Å; L28-F32 HydrophobicContact CD1-CD2 3.92Å; L28-F32 HydrophobicContact CD1-CE2 3.58Å; L28-F32 HydrophobicContact CD1-CZ 4.18Å; L28-F32 HydrophobicContact CD2-CD2 4.47Å; L28-F32 HydrophobicContact CD2-CE2 3.84Å; L28-F32 HydrophobicContact CG-CD2 3.72Å; L28-F32 HydrophobicContact CG-CE2 3.5Å; L28-F32 WeakPolarHBondContact O-CD2 3.45Å; L28-F32 PolarHBondContact O-N 2.79Å
29M98.4Very high98.3Very high117 Ų11778.4 Ų78.458%0.57640%0.404SS*.Hα-helixtrans-56.3-46.3172.4177.3-168.464.500111.4D25 A27 F32 L33D25-M29 WeakPolarHBondContact O-CB 3.4Å; D25-M29 PolarHBondContact O-N 2.97Å; A27-M29 PolarHBondContact O-N 3.3Å; M29-F32 PolarHBondContact O-N 2.96Å; M29-L33 WeakPolarHBondContact O-CB 3.35Å; M29-L33 PolarHBondContact O-N 3.25Å
30I98.3Very high98.3Very high15 Ų1581.1 Ų81.18%0.07741%0.412CS..Hα-helixtrans-65.3-43.7178.8-66.4169000110.8H26 A27 L28 F32 L33 I34 I72 I76H26-I30 PolarHBondContact O-N 3.18Å; A27-I30 PolarHBondContact O-N 2.88Å; L28-I30 VanDerWaalsContact C-N 3.31Å; L28-I30 PolarHBondContact O-N 3.44Å; I30-F32 PolarHBondContact O-N 3.39Å; I30-L33 WeakPolarHBondContact O-CB 3.13Å; I30-L33 PolarHBondContact O-N 2.93Å; I30-I34 HydrophobicContact CG2-CD1 3.95Å; I30-I34 WeakPolarHBondContact O-CG1 3.44Å; I30-I34 PolarHBondContact O-N 2.89Å; I30-I72 HydrophobicContact CG2-CG2 3.44Å; I30-I72 VanDerWaalsContact CG2-CG2 3.44Å; I30-I76 HydrophobicContact CD1-CD1 4.19Å; I30-I76 HydrophobicContact CD1-CG1 3.61Å; I30-I76 HydrophobicContact CG2-CD1 4.16Å
31I98.3Very high98.3Very high91 Ų9180.7 Ų80.747%0.46742%0.417SS..Hα-helixtrans-60.2-47.5177.5-68.7166.5000110.3A27 L28 L33 I34 C35A27-I31 WeakPolarHBondContact O-CG1 3.29Å; A27-I31 PolarHBondContact O-N 2.77Å; L28-I31 PolarHBondContact O-N 2.79Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 3.02Å; I31-I34 PolarHBondContact O-N 2.93Å; I31-C35 WeakPolarHBondContact O-CB 3.49Å; I31-C35 PolarHBondContact O-N 2.84Å; I31-C35 PolarHBondContact O-SG 2.95Å; I31-C35 VanDerWaalsContact O-SG 3.33Å
32F98.4Very high98.2Very high133 Ų13383 Ų8358%0.58343%0.429SS*.Hα-helixtrans-60.7-40.6177.1-83.8-54.4000112.6L28 M29 I30 I34 C35 F36L28-F32 HydrophobicContact CD1-CD2 3.92Å; L28-F32 HydrophobicContact CD1-CE2 3.58Å; L28-F32 HydrophobicContact CD1-CZ 4.18Å; L28-F32 HydrophobicContact CD2-CD2 4.47Å; L28-F32 HydrophobicContact CD2-CE2 3.84Å; L28-F32 HydrophobicContact CG-CD2 3.72Å; L28-F32 HydrophobicContact CG-CE2 3.5Å; L28-F32 WeakPolarHBondContact O-CD2 3.45Å; L28-F32 PolarHBondContact O-N 2.79Å; M29-F32 PolarHBondContact O-N 2.96Å; I30-F32 PolarHBondContact O-N 3.39Å; F32-I34 PolarHBondContact O-N 3.28Å; F32-C35 PolarHBondContact O-N 2.9Å; F32-F36 VanDerWaalsContact O-CB 3.27Å; F32-F36 WeakPolarHBondContact O-CB 3.38Å; F32-F36 PolarHBondContact O-N 2.84Å
33L98.2Very high98.2Very high117 Ų11785.4 Ų85.461%0.61343%0.433SS*.Hα-helixtrans-59.4-46.7175.717967.4000111.5M29 I30 I31 L37M29-L33 WeakPolarHBondContact O-CB 3.35Å; M29-L33 PolarHBondContact O-N 3.25Å; I30-L33 WeakPolarHBondContact O-CB 3.13Å; I30-L33 PolarHBondContact O-N 2.93Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 3.02Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 PolarHBondContact O-N 3.18Å
34I98.2Very high98.1Very high71 Ų7187.1 Ų87.136%0.36444%0.443SS..Hα-helixtrans-65.5-47.7178.7-65.7168.8000110.5I30 I31 F32 F36 L37 V38 I72I30-I34 HydrophobicContact CG2-CD1 3.95Å; I30-I34 WeakPolarHBondContact O-CG1 3.44Å; I30-I34 PolarHBondContact O-N 2.89Å; I31-I34 PolarHBondContact O-N 2.93Å; F32-I34 PolarHBondContact O-N 3.28Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.4Å; I34-L37 PolarHBondContact O-N 2.78Å; I34-V38 HydrophobicContact CG2-CG2 4.32Å; I34-V38 WeakPolarHBondContact O-CG2 3.5Å; I34-V38 PolarHBondContact O-N 2.94Å; I34-I72 HydrophobicContact CD1-CD1 4.39Å; I34-I72 HydrophobicContact CD1-CG2 4.41Å
35C98.4Very high97.9Very high71 Ų7188.1 Ų88.148%0.4846%0.455SS..Hα-helixtrans-59.3-43.7178.7-72.30000111.7I31 F32 L39I31-C35 WeakPolarHBondContact O-CB 3.49Å; I31-C35 PolarHBondContact O-N 2.84Å; I31-C35 PolarHBondContact O-SG 2.95Å; I31-C35 VanDerWaalsContact O-SG 3.33Å; F32-C35 PolarHBondContact O-N 2.9Å; C35-L39 VanDerWaalsContact O-CB 3.24Å; C35-L39 WeakPolarHBondContact O-CB 3.29Å; C35-L39 PolarHBondContact O-N 2.97Å
36F98.4Very high97.8Very high144 Ų14490.8 Ų90.863%0.63247%0.468SS*.Hα-helixtrans-63.9-44.7176.4-178.9-96.6000111.7F32 I34 V38 L39 Y40F32-F36 VanDerWaalsContact O-CB 3.27Å; F32-F36 WeakPolarHBondContact O-CB 3.38Å; F32-F36 PolarHBondContact O-N 2.84Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.4Å; F36-V38 PolarHBondContact O-N 3.28Å; F36-L39 PolarHBondContact O-N 2.97Å; F36-Y40 WeakPolarHBondContact O-CB 3.25Å; F36-Y40 PolarHBondContact O-N 3.3Å
37L97.7Very high97.7Very high104 Ų10491.5 Ų91.555%0.54548%0.478SS..Hα-helixtrans-58.8-48.5177.2175.765.4000111.8L33 I34 Y40 A41L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 PolarHBondContact O-N 3.18Å; I34-L37 PolarHBondContact O-N 2.78Å; L37-Y40 PolarHBondContact O-N 3.34Å; L37-A41 WeakPolarHBondContact O-CB 3.24Å; L37-A41 PolarHBondContact O-N 2.92Å
38V98.3Very high97.6Very high78 Ų7894 Ų9447%0.47349%0.491SS..Hα-helixtrans-64.8-46.3-179.9172.70000110.6I34 F36 Y40 A41 L42I34-V38 HydrophobicContact CG2-CG2 4.32Å; I34-V38 WeakPolarHBondContact O-CG2 3.5Å; I34-V38 PolarHBondContact O-N 2.94Å; F36-V38 PolarHBondContact O-N 3.28Å; V38-Y40 VanDerWaalsContact C-N 3.31Å; V38-Y40 PolarHBondContact O-N 3Å; V38-A41 PolarHBondContact O-N 3.19Å; V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.5Å; V38-L42 WeakPolarHBondContact O-CB 3.37Å; V38-L42 WeakPolarHBondContact O-CG 3.21Å; V38-L42 PolarHBondContact O-N 2.86Å
39L98.3Very high97.5Very high119 Ų119101.1 Ų101.162%0.62352%0.519SS*.Hα-helixtrans-61.3-41.6178-177.862.3000111.5C35 F36 L42 F43C35-L39 VanDerWaalsContact O-CB 3.24Å; C35-L39 WeakPolarHBondContact O-CB 3.29Å; C35-L39 PolarHBondContact O-N 2.97Å; F36-L39 PolarHBondContact O-N 2.97Å; L39-L42 PolarHBondContact O-N 2.71Å; L39-F43 WeakPolarHBondContact O-CB 3.1Å; L39-F43 PolarHBondContact O-N 3.37Å
40Y98.1Very high97.4Very high120 Ų120102.7 Ų102.747%0.47153%0.529SS..Hα-helixtrans-64.9-44.8176.8178.9-108.8000112.1F36 L37 V38 L42 F43 L44F36-Y40 WeakPolarHBondContact O-CB 3.25Å; F36-Y40 PolarHBondContact O-N 3.3Å; L37-Y40 PolarHBondContact O-N 3.34Å; V38-Y40 VanDerWaalsContact C-N 3.31Å; V38-Y40 PolarHBondContact O-N 3Å; Y40-L42 PolarHBondContact O-N 3.28Å; Y40-F43 WeakPolarHBondContact O-CB 3.45Å; Y40-F43 PolarHBondContact O-N 3.24Å; Y40-L44 HydrophobicContact CD1-CD1 3.94Å; Y40-L44 HydrophobicContact CD1-CG 4.46Å; Y40-L44 HydrophobicContact CE1-CD1 3.37Å; Y40-L44 HydrophobicContact CE1-CG 4.08Å; Y40-L44 HydrophobicContact CE2-CD1 4.35Å; Y40-L44 HydrophobicContact CE2-CD2 4.25Å; Y40-L44 HydrophobicContact CE2-CG 4.19Å; Y40-L44 WeakPolarHBondContact O-CG 3.33Å; Y40-L44 PolarHBondContact O-N 2.79Å
41A96.8Very high97.2Very high46 Ų46108.1 Ų108.138%0.3856%0.564SS.*Hα-helixtrans-62.3-41.4176.400000112.2L37 V38 L44 T45L37-A41 WeakPolarHBondContact O-CB 3.24Å; L37-A41 PolarHBondContact O-N 2.92Å; V38-A41 PolarHBondContact O-N 3.19Å; A41-L44 PolarHBondContact O-N 3.02Å; A41-T45 WeakPolarHBondContact O-CG2 3.47Å; A41-T45 PolarHBondContact O-N 2.77Å; A41-T45 PolarHBondContact O-OG1 2.82Å
42L97.3Very high96.9Very high92 Ų92109.6 Ų109.648%0.48257%0.572SS.*Hα-helixtrans-62.3-45.1173-73172.1000111.4V38 L39 Y40 L44 T45 L46V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.5Å; V38-L42 WeakPolarHBondContact O-CB 3.37Å; V38-L42 WeakPolarHBondContact O-CG 3.21Å; V38-L42 PolarHBondContact O-N 2.86Å; L39-L42 PolarHBondContact O-N 2.71Å; Y40-L42 PolarHBondContact O-N 3.28Å; L42-L44 PolarHBondContact O-N 3.1Å; L42-T45 WeakPolarHBondContact CA-OG1 3.29Å; L42-T45 PolarHBondContact O-N 3.04Å; L42-T45 PolarHBondContact O-OG1 2.98Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 VanDerWaalsContact O-CG 3.22Å; L42-L46 WeakPolarHBondContact O-CG 3.13Å; L42-L46 PolarHBondContact O-N 2.96Å
43F97.8Very high96.6Very high130 Ų130109.6 Ų109.657%0.5758%0.583SS**Hα-helixtrans-59.3-45.1176.8179-98000111.9L39 Y40 T47L39-F43 WeakPolarHBondContact O-CB 3.1Å; L39-F43 PolarHBondContact O-N 3.37Å; Y40-F43 WeakPolarHBondContact O-CB 3.45Å; Y40-F43 PolarHBondContact O-N 3.24Å; F43-T47 HydrophobicContact CD2-CG2 3.99Å; F43-T47 HydrophobicContact CE1-CG2 4.29Å; F43-T47 HydrophobicContact CE2-CG2 3.72Å; F43-T47 HydrophobicContact CG-CG2 4.39Å; F43-T47 HydrophobicContact CZ-CG2 3.88Å; F43-T47 WeakPolarHBondContact O-CB 3.47Å; F43-T47 WeakPolarHBondContact O-CG2 3.46Å; F43-T47 PolarHBondContact O-N 2.69Å; F43-T47 VanDerWaalsContact O-N 3.11Å; F43-T47 PolarHBondContact O-OG1 2.87Å
44L97.1Very high96.4Very high79 Ų79110 Ų11041%0.41459%0.586SS.*Hα-helixtrans-62.3-46.7178-72.5178.7000112.7Y40 A41 L42 L46 T47 T48Y40-L44 HydrophobicContact CD1-CD1 3.94Å; Y40-L44 HydrophobicContact CD1-CG 4.46Å; Y40-L44 HydrophobicContact CE1-CD1 3.37Å; Y40-L44 HydrophobicContact CE1-CG 4.08Å; Y40-L44 HydrophobicContact CE2-CD1 4.35Å; Y40-L44 HydrophobicContact CE2-CD2 4.25Å; Y40-L44 HydrophobicContact CE2-CG 4.19Å; Y40-L44 WeakPolarHBondContact O-CG 3.33Å; Y40-L44 PolarHBondContact O-N 2.79Å; A41-L44 PolarHBondContact O-N 3.02Å; L42-L44 PolarHBondContact O-N 3.1Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 2.83Å; L44-T47 PolarHBondContact O-N 3.01Å; L44-T47 PolarHBondContact O-OG1 3.37Å; L44-T48 PolarHBondContact O-N 2.74Å
45T94Very high95.9Very high95 Ų95115.1 Ų115.158%0.58361%0.612SS**Hα-helixtrans-68.6-32.3-177.651.30000112.6A41 L42A41-T45 WeakPolarHBondContact O-CG2 3.47Å; A41-T45 PolarHBondContact O-N 2.77Å; A41-T45 PolarHBondContact O-OG1 2.82Å; L42-T45 WeakPolarHBondContact CA-OG1 3.29Å; L42-T45 PolarHBondContact O-N 3.04Å; L42-T45 PolarHBondContact O-OG1 2.98Å
46L96.4Very high95.5Very high145 Ų145116 Ų11676%0.75962%0.62SS**Hα-helixtrans-83.2-22.4179.4-66.7173.8000114.1L42 L44L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 VanDerWaalsContact O-CG 3.22Å; L42-L46 WeakPolarHBondContact O-CG 3.13Å; L42-L46 PolarHBondContact O-N 2.96Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 2.83Å
47T97.3Very high95.2Very high79 Ų79115.8 Ų115.849%0.48563%0.625SS.*Hα-helixtrans-96.9-14.8-174.754.30000114F43 L44F43-T47 HydrophobicContact CD2-CG2 3.99Å; F43-T47 HydrophobicContact CE1-CG2 4.29Å; F43-T47 HydrophobicContact CE2-CG2 3.72Å; F43-T47 HydrophobicContact CG-CG2 4.39Å; F43-T47 HydrophobicContact CZ-CG2 3.88Å; F43-T47 WeakPolarHBondContact O-CB 3.47Å; F43-T47 WeakPolarHBondContact O-CG2 3.46Å; F43-T47 PolarHBondContact O-N 2.69Å; F43-T47 VanDerWaalsContact O-N 3.11Å; F43-T47 PolarHBondContact O-OG1 2.87Å; L44-T47 PolarHBondContact O-N 3.01Å; L44-T47 PolarHBondContact O-OG1 3.37Å
48T96.4Very high95.1Very high72 Ų72112.5 Ų112.544%0.44261%0.613SS.*  trans-73140.1177.7-173.40000111.9L44 L50L44-T48 PolarHBondContact O-N 2.74Å; T48-L50 PolarHBondContact OG1-N 2.94Å
49K95.4Very high95Very high205 Ų205113.9 Ų113.989%0.89161%0.614SS**  trans-90.2-12.3170.3-65.2-175.7179.9-179.50112.7
50L96.3Very high94.8Very high150 Ų150115.2 Ų115.279%0.78562%0.617SS**  trans-72.7140.3180-59.4176.7000109.1T48T48-L50 PolarHBondContact OG1-N 2.94Å
51T94.3Very high94.6Very high130 Ų130115.6 Ų115.680%0.79862%0.624SS**  trans-120.2139.4-17954.40000110.6
52N91.6Very high94.7Very high121 Ų121117.3 Ų117.365%0.64763%0.625SS**  trans-140111.7165.1-177.911.6000107.6N54N52-N54 PolarHBondContact OD1-N 3.19Å
53T92.8Very high94.7Very high133 Ų133115.7 Ų115.782%0.81662%0.619SS**  trans-107.42.4-178.355.10000112.6
54N93.9Very high94.6Very high126 Ų126114 Ų11467%0.67462%0.619SS**SBendtrans-74.6144176.2-65-34000109.7N52 S56N52-N54 PolarHBondContact OD1-N 3.19Å; N54-S56 PolarHBondContact O-N 3.25Å
55I87.3Confident94.6Very high178 Ų178116.3 Ų116.391%0.91362%0.622SS**PPolyproline II helixtrans-68.7116.1171.7-62.1170.6000107.4
56S89.3Confident94.8Very high90 Ų90116.1 Ų116.163%0.62962%0.621SS**PPolyproline II helixtrans-91.4146169.154.80000110N54N54-S56 PolarHBondContact O-N 3.25Å
57D93.6Very high94.9Very high140 Ų140113.7 Ų113.775%0.74961%0.608SS**PPolyproline II helixtrans-59141.7166.6-177.544.4000110.6
58A94.6Very high94.9Very high34 Ų34114.2 Ų114.228%0.28161%0.607SS.*  trans-116-8.9-17000000113.7E60 M61 E62A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 3.43Å; A58-M61 PolarHBondContact O-N 2.85Å; A58-E62 HydrophobicContact CB-CG 4.47Å; A58-E62 WeakPolarHBondContact O-CB 3.34Å; A58-E62 PolarHBondContact O-N 2.72Å
59Q95.9Very high95Very high107 Ų107113.8 Ų113.850%0.561%0.605SS.*Hα-helixtrans-56.3-42.9-169.2-174.162.440.800113.6T63Q59-T63 PolarHBondContact O-N 2.86Å; Q59-T63 PolarHBondContact O-OG1 3.23Å
60E94.8Very high95.1Very high147 Ų147106.5 Ų106.569%0.68758%0.584SS**Hα-helixtrans-65.7-40.8178.7-64.1-59.9148.300111.7A58 T63 V64A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 3.43Å; E60-T63 PolarHBondContact O-N 2.73Å; E60-V64 WeakPolarHBondContact O-CG2 3.29Å; E60-V64 PolarHBondContact O-N 3.33Å
61M94.6Very high95.2Very high128 Ų128103.7 Ų103.763%0.63157%0.569SS**Hα-helixtrans-71.8-38.6179.8-161177.1170.800111.6A58 T63 V64 W65A58-M61 PolarHBondContact O-N 2.85Å; M61-T63 VanDerWaalsContact C-N 3.33Å; M61-T63 PolarHBondContact O-N 2.85Å; M61-V64 PolarHBondContact O-N 3.09Å; M61-W65 HydrophobicContact CB-CE3 4.24Å; M61-W65 HydrophobicContact CB-CZ3 3.91Å; M61-W65 HydrophobicContact CE-CE3 3.94Å; M61-W65 HydrophobicContact CE-CZ3 3.78Å; M61-W65 HydrophobicContact CG-CE3 3.54Å; M61-W65 HydrophobicContact CG-CH2 4.46Å; M61-W65 HydrophobicContact CG-CZ3 3.41Å; M61-W65 VanDerWaalsContact CG-CZ3 3.41Å; M61-W65 PolarHBondContact O-N 3.24Å; M61-W65 HydrophobicContact SD-CE3 4.15Å; M61-W65 HydrophobicContact SD-CZ3 3.6Å
62E97.4Very high95.4Very high83 Ų8399.2 Ų99.239%0.38854%0.539SS..Hα-helixtrans-57.3-46.3173-83178.6-164.400112A58 V64 W65 T66A58-E62 HydrophobicContact CB-CG 4.47Å; A58-E62 WeakPolarHBondContact O-CB 3.34Å; A58-E62 PolarHBondContact O-N 2.72Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 2.78Å; E62-W65 VanDerWaalsContact CA-CE2 3.47Å; E62-W65 HydrophobicContact CB-CZ2 4.1Å; E62-W65 HydrophobicContact CG-CH2 3.81Å; E62-W65 HydrophobicContact CG-CZ2 3.16Å; E62-W65 PolarHBondContact O-N 2.84Å; E62-T66 WeakPolarHBondContact O-CB 3.3Å; E62-T66 PolarHBondContact O-N 2.89Å; E62-T66 PolarHBondContact O-OG1 2.9Å; E62-T66 VanDerWaalsContact O-OG1 3.08Å
63T97.6Very high95.8Very high58 Ų5899 Ų9936%0.35654%0.538SS..Hα-helixtrans-60.2-42.8178.6-56.40000111.3Q59 E60 M61 I67Q59-T63 PolarHBondContact O-N 2.86Å; Q59-T63 PolarHBondContact O-OG1 3.23Å; E60-T63 PolarHBondContact O-N 2.73Å; M61-T63 VanDerWaalsContact C-N 3.33Å; M61-T63 PolarHBondContact O-N 2.85Å; T63-I67 HydrophobicContact CG2-CD1 3.7Å; T63-I67 WeakPolarHBondContact O-CB 3.32Å; T63-I67 WeakPolarHBondContact O-CG1 3.46Å; T63-I67 PolarHBondContact O-N 3.28Å; T63-I67 VanDerWaalsContact O-N 3.08Å
64V96.8Very high96Very high94 Ų9496.6 Ų96.657%0.5752%0.522SS*.Hα-helixtrans-65.8-51179.4173.60000111.9E60 M61 E62 T66 I67 L68E60-V64 WeakPolarHBondContact O-CG2 3.29Å; E60-V64 PolarHBondContact O-N 3.33Å; M61-V64 PolarHBondContact O-N 3.09Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 2.78Å; V64-T66 PolarHBondContact O-N 3.03Å; V64-I67 PolarHBondContact O-N 3.44Å; V64-L68 VanDerWaalsContact O-CB 3.28Å; V64-L68 WeakPolarHBondContact O-CB 3.4Å; V64-L68 PolarHBondContact O-N 2.87Å
65W96.9Very high96.2Very high127 Ų12795 Ų9548%0.48151%0.513SS..Hα-helixtrans-74.1-9-177.171.947.4000113.8M61 E62 P69M61-W65 HydrophobicContact CB-CE3 4.24Å; M61-W65 HydrophobicContact CB-CZ3 3.91Å; M61-W65 HydrophobicContact CE-CE3 3.94Å; M61-W65 HydrophobicContact CE-CZ3 3.78Å; M61-W65 HydrophobicContact CG-CE3 3.54Å; M61-W65 HydrophobicContact CG-CH2 4.46Å; M61-W65 HydrophobicContact CG-CZ3 3.41Å; M61-W65 VanDerWaalsContact CG-CZ3 3.41Å; M61-W65 PolarHBondContact O-N 3.24Å; M61-W65 HydrophobicContact SD-CE3 4.15Å; M61-W65 HydrophobicContact SD-CZ3 3.6Å; E62-W65 VanDerWaalsContact CA-CE2 3.47Å; E62-W65 HydrophobicContact CB-CZ2 4.1Å; E62-W65 HydrophobicContact CG-CH2 3.81Å; E62-W65 HydrophobicContact CG-CZ2 3.16Å; E62-W65 PolarHBondContact O-N 2.84Å; W65-P69 VanDerWaalsContact C-CD 3.5Å; W65-P69 WeakPolarHBondContact O-CD 3.43Å; W65-P69 WeakPolarHBondContact O-CG 3.47Å
66T97.9Very high96.8Very high91 Ų9188.6 Ų88.656%0.55848%0.481SS*.Hα-helixtrans-90.8-45.5172.3-65.80000111.1E62 V64 A70E62-T66 WeakPolarHBondContact O-CB 3.3Å; E62-T66 PolarHBondContact O-N 2.89Å; E62-T66 PolarHBondContact O-OG1 2.9Å; E62-T66 VanDerWaalsContact O-OG1 3.08Å; V64-T66 PolarHBondContact O-N 3.03Å; T66-A70 PolarHBondContact O-N 3.21Å
67I98.4Very high97.2Very high95 Ų9586.3 Ų86.349%0.48747%0.467SS..Hα-helixtrans-70.6-41.9-178.7-66.4174.4000111.3T63 V64 A70 I71T63-I67 HydrophobicContact CG2-CD1 3.7Å; T63-I67 WeakPolarHBondContact O-CB 3.32Å; T63-I67 WeakPolarHBondContact O-CG1 3.46Å; T63-I67 PolarHBondContact O-N 3.28Å; T63-I67 VanDerWaalsContact O-N 3.08Å; V64-I67 PolarHBondContact O-N 3.44Å; I67-A70 WeakPolarHBondContact O-CB 3.38Å; I67-A70 PolarHBondContact O-N 3.29Å; I67-I71 HydrophobicContact CG2-CD1 3.94Å; I67-I71 HydrophobicContact CG2-CG1 4.45Å; I67-I71 PolarHBondContact O-N 3.13Å; I67-I71 VanDerWaalsContact O-N 3.09Å
68L97.4Very high97.4Very high90 Ų9085.1 Ų85.147%0.47146%0.46SS..Hα-helixtrans-62.7-48.7-175.2-178.868.5000112.7V64 A70 I71 I72V64-L68 VanDerWaalsContact O-CB 3.28Å; V64-L68 WeakPolarHBondContact O-CB 3.4Å; V64-L68 PolarHBondContact O-N 2.87Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.13Å; L68-I71 PolarHBondContact O-N 3.38Å; L68-I72 HydrophobicContact CG-CD1 4.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 2.95Å; L68-I72 VanDerWaalsContact O-N 3.1Å
69P98.1Very high97.5Very high62 Ų6285.5 Ų85.540%0.40346%0.46SS..Hα-helixtrans-62.6-34.1173.9-26.739.1000113.6W65 I71 I72 L73W65-P69 VanDerWaalsContact C-CD 3.5Å; W65-P69 WeakPolarHBondContact O-CD 3.43Å; W65-P69 WeakPolarHBondContact O-CG 3.47Å; P69-I71 VanDerWaalsContact C-N 3.32Å; P69-I71 PolarHBondContact O-N 3.12Å; P69-I72 PolarHBondContact O-N 2.88Å; P69-L73 WeakPolarHBondContact O-CG 3.44Å; P69-L73 PolarHBondContact O-N 2.94Å
70A98.4Very high97.6Very high53 Ų5382.7 Ų82.744%0.43845%0.452SS..Hα-helixtrans-60.9-42.817600000111.5T66 I67 L68 L73 V74T66-A70 PolarHBondContact O-N 3.21Å; I67-A70 WeakPolarHBondContact O-CB 3.38Å; I67-A70 PolarHBondContact O-N 3.29Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.13Å; A70-L73 PolarHBondContact O-N 3.07Å; A70-V74 WeakPolarHBondContact O-CG2 3.32Å; A70-V74 PolarHBondContact O-N 3.19Å
71I98.5Very high97.8Very high91 Ų9179.7 Ų79.747%0.46744%0.44SS..Hα-helixtrans-62.9-44.5174.3-65.5169.3000110.7I67 L68 P69 L73 V74 L75I67-I71 HydrophobicContact CG2-CD1 3.94Å; I67-I71 HydrophobicContact CG2-CG1 4.45Å; I67-I71 PolarHBondContact O-N 3.13Å; I67-I71 VanDerWaalsContact O-N 3.09Å; L68-I71 PolarHBondContact O-N 3.38Å; P69-I71 VanDerWaalsContact C-N 3.32Å; P69-I71 PolarHBondContact O-N 3.12Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.83Å; I71-V74 PolarHBondContact O-N 2.87Å; I71-V74 VanDerWaalsContact O-N 3.16Å; I71-L75 HydrophobicContact CG2-CD1 4.3Å; I71-L75 WeakPolarHBondContact O-CG 3.14Å; I71-L75 PolarHBondContact O-N 3.44Å
72I98.3Very high97.9Very high35 Ų3581 Ų8118%0.17944%0.438CS..Hα-helixtrans-59-43.1178.3-68.1169.9000111.2I30 I34 L68 P69 V74 L75 I76I30-I72 HydrophobicContact CG2-CG2 3.44Å; I30-I72 VanDerWaalsContact CG2-CG2 3.44Å; I34-I72 HydrophobicContact CD1-CD1 4.39Å; I34-I72 HydrophobicContact CD1-CG2 4.41Å; L68-I72 HydrophobicContact CG-CD1 4.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 2.95Å; L68-I72 VanDerWaalsContact O-N 3.1Å; P69-I72 PolarHBondContact O-N 2.88Å; I72-V74 VanDerWaalsContact C-N 3.32Å; I72-V74 PolarHBondContact O-N 2.87Å; I72-L75 PolarHBondContact O-N 3.38Å; I72-L75 VanDerWaalsContact O-N 3.16Å; I72-I76 HydrophobicContact CG2-CD1 4.14Å; I72-I76 PolarHBondContact O-N 2.74Å; I72-I76 VanDerWaalsContact O-N 3.1Å
73L98.5Very high97.9Very high118 Ų11877.6 Ų77.662%0.61842%0.422SS*.Hα-helixtrans-60.9-40.2177-71.6176.5000112P69 A70 I71 L75 I76 A77P69-L73 WeakPolarHBondContact O-CG 3.44Å; P69-L73 PolarHBondContact O-N 2.94Å; A70-L73 PolarHBondContact O-N 3.07Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.83Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L73-L75 PolarHBondContact O-N 2.81Å; L73-I76 PolarHBondContact O-N 2.9Å; L73-A77 VanDerWaalsContact O-CB 3.24Å; L73-A77 WeakPolarHBondContact O-CB 3.21Å; L73-A77 PolarHBondContact O-N 3.04Å
74V98.4Very high97.8Very high81 Ų8179.6 Ų79.649%0.49143%0.431SS..Hα-helixtrans-62.9-41.8175.1174.20000111.2A70 I71 I72 I76 A77 L78A70-V74 WeakPolarHBondContact O-CG2 3.32Å; A70-V74 PolarHBondContact O-N 3.19Å; I71-V74 PolarHBondContact O-N 2.87Å; I71-V74 VanDerWaalsContact O-N 3.16Å; I72-V74 VanDerWaalsContact C-N 3.32Å; I72-V74 PolarHBondContact O-N 2.87Å; V74-I76 VanDerWaalsContact C-N 3.26Å; V74-I76 PolarHBondContact O-N 3.27Å; V74-A77 PolarHBondContact O-N 2.97Å; V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.23Å; V74-L78 WeakPolarHBondContact O-CG 3.36Å; V74-L78 PolarHBondContact O-N 3.19Å; V74-L78 VanDerWaalsContact O-N 3.08Å
75L97.8Very high97.7Very high93 Ų9382.7 Ų82.749%0.48743%0.433SS..Hα-helixtrans-65.4-26.3178.4-66.7176.2000113.7H26 I71 I72 L73 P79H26-L75 PolarHBondContact NE2-O 3Å; I71-L75 HydrophobicContact CG2-CD1 4.3Å; I71-L75 WeakPolarHBondContact O-CG 3.14Å; I71-L75 PolarHBondContact O-N 3.44Å; I72-L75 PolarHBondContact O-N 3.38Å; I72-L75 VanDerWaalsContact O-N 3.16Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L73-L75 PolarHBondContact O-N 2.81Å; L75-P79 VanDerWaalsContact O-CD 3.26Å; L75-P79 WeakPolarHBondContact O-CD 3.4Å
76I98.4Very high97.5Very high44 Ų4479.9 Ų79.923%0.22643%0.426CS..Hα-helixtrans-82.8-42.8172.1-63.4170.3000110.4F23 I30 I72 L73 V74 L78 P79 S80F23-I76 HydrophobicContact CE2-CG2 4.12Å; F23-I76 WeakPolarHBondContact CE2-O 3.35Å; F23-I76 HydrophobicContact CZ-CG2 4.05Å; I30-I76 HydrophobicContact CD1-CD1 4.19Å; I30-I76 HydrophobicContact CD1-CG1 3.61Å; I30-I76 HydrophobicContact CG2-CD1 4.16Å; I72-I76 HydrophobicContact CG2-CD1 4.14Å; I72-I76 PolarHBondContact O-N 2.74Å; I72-I76 VanDerWaalsContact O-N 3.1Å; L73-I76 PolarHBondContact O-N 2.9Å; V74-I76 VanDerWaalsContact C-N 3.26Å; V74-I76 PolarHBondContact O-N 3.27Å; I76-L78 PolarHBondContact O-N 2.89Å; I76-P79 WeakPolarHBondContact O-CD 3.47Å; I76-P79 WeakPolarHBondContact O-CG 3.25Å; I76-S80 WeakPolarHBondContact O-CB 3.07Å; I76-S80 PolarHBondContact O-N 2.88Å
77A98.3Very high97.2Very high42 Ų4278.3 Ų78.335%0.34742%0.417SS..Hα-helixtrans-65.9-39.1-173.400000113.1L73 V74 S80 L81L73-A77 VanDerWaalsContact O-CB 3.24Å; L73-A77 WeakPolarHBondContact O-CB 3.21Å; L73-A77 PolarHBondContact O-N 3.04Å; V74-A77 PolarHBondContact O-N 2.97Å; A77-S80 WeakPolarHBondContact O-CB 3.34Å; A77-S80 PolarHBondContact O-N 3.24Å; A77-L81 WeakPolarHBondContact O-CB 3.25Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.2Å; A77-L81 PolarHBondContact O-N 2.79Å
78L97.6Very high96.6Very high114 Ų11479.7 Ų79.760%0.59743%0.425SS*.Hα-helixtrans-59.5-54.6-177.6-70.6175.3000113.8V74 I76 S80 R82V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.23Å; V74-L78 WeakPolarHBondContact O-CG 3.36Å; V74-L78 PolarHBondContact O-N 3.19Å; V74-L78 VanDerWaalsContact O-N 3.08Å; I76-L78 PolarHBondContact O-N 2.89Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 3.24Å; L78-R82 PolarHBondContact O-N 3.47Å
79P97.8Very high95.9Very high43 Ų4381.4 Ų81.428%0.27943%0.431SS..Hα-helixtrans-65.7-34.5175.524.9-33.2000112.4F23 L75 I76 R82 I83F23-P79 HydrophobicContact CD2-CB 4.09Å; F23-P79 HydrophobicContact CD2-CG 4.06Å; F23-P79 HydrophobicContact CE2-CG 4.11Å; L75-P79 VanDerWaalsContact O-CD 3.26Å; L75-P79 WeakPolarHBondContact O-CD 3.4Å; I76-P79 WeakPolarHBondContact O-CD 3.47Å; I76-P79 WeakPolarHBondContact O-CG 3.25Å; P79-R82 PolarHBondContact O-N 3.41Å; P79-I83 WeakPolarHBondContact O-CG1 3.42Å; P79-I83 PolarHBondContact O-N 2.99Å; P79-I83 VanDerWaalsContact O-N 3.15Å
80S98.3Very high94.4Very high47 Ų4782.3 Ų82.333%0.32944%0.435SS..Hα-helixtrans-59.7-50.2177.2-1770000112.3F23 I76 A77 L78 R82 I83 L84F23-S80 VanDerWaalsContact CZ-CB 3.49Å; I76-S80 WeakPolarHBondContact O-CB 3.07Å; I76-S80 PolarHBondContact O-N 2.88Å; A77-S80 WeakPolarHBondContact O-CB 3.34Å; A77-S80 PolarHBondContact O-N 3.24Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 3.24Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 3.14Å; S80-I83 PolarHBondContact O-N 3.05Å; S80-L84 PolarHBondContact O-N 2.99Å
81L97.8Very high93.1Very high85 Ų8584.1 Ų84.145%0.44544%0.437SS..Hα-helixtrans-64.9-37.4179.3-70.9173.1000111.6A77 I83 L84 Y85A77-L81 WeakPolarHBondContact O-CB 3.25Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.2Å; A77-L81 PolarHBondContact O-N 2.79Å; L81-I83 PolarHBondContact O-N 3.09Å; L81-L84 HydrophobicContact CD2-CD2 4.19Å; L81-L84 WeakPolarHBondContact O-CB 3.02Å; L81-L84 PolarHBondContact O-N 3.16Å; L81-Y85 WeakPolarHBondContact O-CD2 3.42Å; L81-Y85 PolarHBondContact O-N 3.14Å
82R97Very high92.5Very high156 Ų15687.2 Ų87.259%0.58945%0.454SS*.Hα-helixtrans-57-48.8174.8178.5-176.7169-153.7-8.5111.4L78 P79 S80 L84 Y85 M86L78-R82 PolarHBondContact O-N 3.47Å; P79-R82 PolarHBondContact O-N 3.41Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 3.14Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-Y85 PolarHBondContact O-N 3.31Å; R82-M86 HydrophobicContact CG-SD 4.04Å; R82-M86 VanDerWaalsContact O-CG 3.31Å; R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.01Å
83I96.9Very high92.1Very high10 Ų1086.9 Ų86.95%0.05146%0.455CS..Hα-helixtrans-66.4-38.6179.9-63.7168.2000111.2E19 L20 F23 P79 S80 L81 Y85 M86 T87E19-I83 HydrophobicContact CB-CD1 4.08Å; E19-I83 HydrophobicContact CB-CG1 4.13Å; E19-I83 WeakPolarHBondContact O-CD1 3.3Å; L20-I83 HydrophobicContact CD2-CG2 3.92Å; L20-I83 HydrophobicContact CG-CG2 4.4Å; F23-I83 HydrophobicContact CB-CD1 3.44Å; F23-I83 VanDerWaalsContact CB-CD1 3.44Å; F23-I83 HydrophobicContact CG-CD1 3.98Å; P79-I83 WeakPolarHBondContact O-CG1 3.42Å; P79-I83 PolarHBondContact O-N 2.99Å; P79-I83 VanDerWaalsContact O-N 3.15Å; S80-I83 PolarHBondContact O-N 3.05Å; L81-I83 PolarHBondContact O-N 3.09Å; I83-Y85 PolarHBondContact O-N 3.26Å; I83-M86 PolarHBondContact O-N 3.47Å; I83-T87 PolarHBondContact O-N 2.92Å; I83-T87 PolarHBondContact O-OG1 3.32Å
84L96.8Very high91.8Very high101 Ų10185.2 Ų85.253%0.52945%0.453SS..Hα-helixtrans-55.1-50.9175.5178.366.4000111.3S80 L81 R82 T87 D88S80-L84 PolarHBondContact O-N 2.99Å; L81-L84 HydrophobicContact CD2-CD2 4.19Å; L81-L84 WeakPolarHBondContact O-CB 3.02Å; L81-L84 PolarHBondContact O-N 3.16Å; R82-L84 VanDerWaalsContact C-N 3.34Å; L84-T87 PolarHBondContact O-N 3.49Å; L84-D88 PolarHBondContact O-N 3.45Å
85Y94.8Very high91.4Very high159 Ų15981.5 Ų81.562%0.62443%0.43SS*.Hα-helixtrans-67.4-37.4178.7-74.9-70.5000112.6L81 R82 I83 T87 D88 E89L81-Y85 WeakPolarHBondContact O-CD2 3.42Å; L81-Y85 PolarHBondContact O-N 3.14Å; R82-Y85 PolarHBondContact O-N 3.31Å; I83-Y85 PolarHBondContact O-N 3.26Å; Y85-T87 PolarHBondContact O-N 3.29Å; Y85-D88 PolarHBondContact O-N 3.45Å; Y85-E89 PolarHBondContact O-N 3.41Å; Y85-E89 VanDerWaalsContact O-N 3.14Å
86M92.3Very high91.3Very high67 Ų6778.2 Ų78.233%0.3341%0.414SS..Hα-helixtrans-62-30.7174.4-72.1174.66200113.1I16 E19 R82 I83I16-M86 HydrophobicContact CD1-CB 4.27Å; E19-M86 HydrophobicContact CG-CE 4.41Å; R82-M86 HydrophobicContact CG-SD 4.04Å; R82-M86 VanDerWaalsContact O-CG 3.31Å; R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.01Å; I83-M86 PolarHBondContact O-N 3.47Å
87T91.6Very high91.1Very high59 Ų5976.1 Ų76.136%0.36240%0.403SS..Hα-helixtrans-78.9-31.1179.3-51.70000111.9I16 I83 L84 Y85I16-T87 HydrophobicContact CG2-CG2 4.4Å; I83-T87 PolarHBondContact O-N 2.92Å; I83-T87 PolarHBondContact O-OG1 3.32Å; L84-T87 PolarHBondContact O-N 3.49Å; Y85-T87 PolarHBondContact O-N 3.29Å
88D86.3Confident91.1Very high124 Ų12476.9 Ų76.966%0.66340%0.399SS*.Hα-helixtrans-84.1-14.5-179.5-159.846.3000113.1L84 Y85 V90L84-D88 PolarHBondContact O-N 3.45Å; Y85-D88 PolarHBondContact O-N 3.45Å; D88-V90 PolarHBondContact O-N 3.07Å
89E81.2Confident91.1Very high126 Ų12671.5 Ų71.559%0.58937%0.37SS*.  trans-62.8100.2172.9-83-178.6-177.800110.9Y85 N91Y85-E89 PolarHBondContact O-N 3.41Å; Y85-E89 VanDerWaalsContact O-N 3.14Å; E89-N91 PolarHBondContact O-N 3.26Å
90V67.8Low91.1Very high81 Ų8169.7 Ų69.749%0.49136%0.358SS..  trans-74.297.5175.6-177.60000109.1D88 T183D88-V90 PolarHBondContact O-N 3.07Å; V90-T183 HydrophobicContact CG1-CG2 4.47Å
91N70.1Confident91.1Very high90 Ų9067.4 Ų67.448%0.48134%0.343SS..  trans-66145.2166.4-63.9-49.7000110E89 P93 P149E89-N91 PolarHBondContact O-N 3.26Å; N91-P93 WeakPolarHBondContact O-CD 3.43Å; N91-P149 HydrophobicContact CB-CB 4.49Å
92D86.4Confident91.2Very high156 Ų15664.1 Ų64.183%0.83433%0.325SS*.  trans-55.3104.3171-79.9-35.3000109.5
93P90.9Very high91.3Very high29 Ų2960.7 Ų60.719%0.18832%0.316CS..  trans-80.6143.6-170.431.1-28.8000110.6N91 P149 R151N91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-P149 CarbonylContact C-O 3.59Å; P93-P149 WeakPolarHBondContact CA-O 3.46Å; P93-R151 HydrophobicContact CB-CB 3.72Å; P93-R151 VanDerWaalsContact CD-NH2 3.29Å; P93-R151 HydrophobicContact CG-CB 3.76Å; P93-R151 VanDerWaalsContact CG-NH2 3.32Å
94S91Very high91.3Very high82 Ų8264 Ų6457%0.57333%0.327SS*.SBendtrans-81.7-21.6178.3-50.90000112.8P149S94-P149 PolarHBondContact N-O 3.3Å
95L91.3Very high91.4Very high3 Ų361.3 Ų61.32%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-146.1133-178.1171.262.9000110.1I97 D112 Y113 L144 P145 R151 F219L95-I97 HydrophobicContact CD1-CD1 4.41Å; L95-I97 HydrophobicContact CD1-CG1 4.12Å; L95-I97 HydrophobicContact CD2-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CG1 4.36Å; L95-I97 HydrophobicContact CG-CD1 4.04Å; L95-I97 HydrophobicContact CG-CG1 4.08Å; L95-D112 HydrophobicContact CD1-CB 4.49Å; L95-Y113 HydrophobicContact CD1-CD2 3.78Å; L95-Y113 HydrophobicContact CD1-CE2 3.61Å; L95-L144 HydrophobicContact CD2-CD2 4.27Å; L95-P145 HydrophobicContact CD2-CG 4.17Å; L95-R151 PolarHBondContact O-N 3.08Å; L95-F219 HydrophobicContact CD2-CE1 4.23Å; L95-F219 HydrophobicContact CD2-CZ 3.79Å
96T94Very high91.6Very high24 Ų2453.7 Ų53.715%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-112.7130.1171.4-55.80000110.8D112 R151 M153T96-D112 PolarHBondContact N-OD2 3.15Å; T96-R151 WeakPolarHBondContact CA-O 3.24Å; T96-R151 HydrophobicContact CG2-CB 4.38Å; T96-R151 HydrophobicContact CG2-CG 4.31Å; T96-M153 HydrophobicContact CG2-CG 3.77Å
97I95.2Very high91.9Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-128.8138.8175.8-67.1163.7000109.1L95 Y108 E109 Y110 L144 R151 M152 M153L95-I97 HydrophobicContact CD1-CD1 4.41Å; L95-I97 HydrophobicContact CD1-CG1 4.12Å; L95-I97 HydrophobicContact CD2-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CG1 4.36Å; L95-I97 HydrophobicContact CG-CD1 4.04Å; L95-I97 HydrophobicContact CG-CG1 4.08Å; I97-Y108 HydrophobicContact CG2-CD1 4.34Å; I97-E109 WeakPolarHBondContact CA-O 3.19Å; I97-Y110 HydrophobicContact CD1-CD1 3.8Å; I97-Y110 HydrophobicContact CD1-CE1 3.37Å; I97-Y110 HydrophobicContact CD1-CE2 4.3Å; I97-Y110 HydrophobicContact CD1-CG 4.45Å; I97-Y110 HydrophobicContact CG1-CD1 3.85Å; I97-Y110 HydrophobicContact CG1-CD2 4.49Å; I97-Y110 HydrophobicContact CG1-CE1 3.95Å; I97-Y110 HydrophobicContact CG1-CG 4.15Å; I97-Y110 HydrophobicContact CG2-CD2 4.48Å; I97-Y110 HydrophobicContact CG2-CE2 4.32Å; I97-L144 HydrophobicContact CD1-CD2 2.96Å; I97-L144 HydrophobicContact CD1-CG 4.44Å; I97-L144 HydrophobicContact CG1-CD2 4.46Å; I97-R151 PolarHBondContact N-O 3.27Å; I97-M152 HydrophobicContact CB-CE 4.36Å; I97-M152 HydrophobicContact CB-SD 3.83Å; I97-M152 HydrophobicContact CG2-CE 4Å; I97-M152 HydrophobicContact CG2-SD 4.11Å; I97-M152 CarbonylContact O-C 3.54Å; I97-M152 WeakPolarHBondContact O-CA 3.44Å; I97-M153 PolarHBondContact O-N 2.96Å
98K97.3Very high92.2Very high59 Ų5948.2 Ų48.226%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-95.6134.1170.3-163.2-172.1-70.7146.10110.2I100 Y108 E109 M153 T155 L179K98-I100 HydrophobicContact CD-CD1 3.9Å; K98-I100 HydrophobicContact CD-CG1 3.77Å; K98-I100 HydrophobicContact CG-CG1 4.06Å; K98-Y108 CarbonylContact O-C 3.54Å; K98-Y108 VanDerWaalsContact O-CA 3.29Å; K98-Y108 WeakPolarHBondContact O-CA 3.25Å; K98-E109 HydrophobicContact CB-CB 4.1Å; K98-E109 HydrophobicContact CB-CG 4.45Å; K98-E109 WeakPolarHBondContact CD-OE2 3.07Å; K98-E109 PolarHBondContact N-O 3.3Å; K98-E109 IonicContact NZ-OE2 2.86Å; K98-E109 PolarHBondContact NZ-OE2 3.18Å; K98-E109 PolarHBondContact O-N 3.49Å; K98-M153 CarbonylContact C-O 3.57Å; K98-M153 VanDerWaalsContact CA-O 3.24Å; K98-M153 WeakPolarHBondContact CA-O 3.48Å; K98-M153 HydrophobicContact CB-CB 4.43Å; K98-M153 HydrophobicContact CG-CB 4.18Å; K98-M153 WeakPolarHBondContact CG-O 3.31Å; K98-T155 HydrophobicContact CD-CG2 4.2Å; K98-L179 HydrophobicContact CD-CD1 4.3Å; K98-L179 HydrophobicContact CG-CD1 4.31Å
99S98.2Very high92.6Very high0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-110.9128.4165.7-173.50000109.4W106 T107 Y108 M153 I154 T155 W163S99-W106 VanDerWaalsContact OG-CE3 3.25Å; S99-T107 WeakPolarHBondContact CA-O 3.39Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.28Å; S99-M153 PolarHBondContact N-O 3.45Å; S99-I154 WeakPolarHBondContact O-CA 3.05Å; S99-T155 PolarHBondContact O-N 3.41Å; S99-W163 VanDerWaalsContact OG-CD1 3.22Å
100I98.8Very high93.2Very high5 Ų538 Ų383%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-119.4119.5-178.7-51.6177.7000108.2K98 H102 W106 T107 E109 T155 Q157K98-I100 HydrophobicContact CD-CD1 3.9Å; K98-I100 HydrophobicContact CD-CG1 3.77Å; K98-I100 HydrophobicContact CG-CG1 4.06Å; I100-H102 WeakPolarHBondContact CG2-NE2 3.34Å; I100-H102 PolarHBondContact O-CD2 3.33Å; I100-W106 WeakPolarHBondContact O-CA 3.41Å; I100-T107 PolarHBondContact N-O 2.8Å; I100-T107 PolarHBondContact O-N 2.95Å; I100-E109 HydrophobicContact CD1-CG 4.23Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.3Å; I100-T155 CarbonylContact C-O 3.57Å; I100-T155 WeakPolarHBondContact CA-O 3.47Å; I100-T155 HydrophobicContact CG1-CG2 4.06Å; I100-T155 HydrophobicContact CG2-CG2 4.41Å; I100-Q157 HydrophobicContact CG2-CB 4.28Å; I100-Q157 HydrophobicContact CG2-CG 3.63Å
101G98.6Very high93.8Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-82.5134.3175.900000112.4W106 T155 S156 Q157G101-W106 VanDerWaalsContact CA-CE3 3.48Å; G101-T155 PolarHBondContact N-O 3.27Å; G101-S156 WeakPolarHBondContact O-CA 3.38Å; G101-S156 PolarHBondContact O-OG 3.07Å; G101-Q157 PolarHBondContact O-N 2.92Å
102H98.8Very high94.4Very high16 Ų1637.8 Ų37.87%0.07420%0.198CC..EExtended strand (participates in β ladder)trans-132.3159.2175.4-62.1-102.9000110.6I100 W104 Y105 T107 Q157 D158 H161 M207I100-H102 WeakPolarHBondContact CG2-NE2 3.34Å; I100-H102 PolarHBondContact O-CD2 3.33Å; H102-W104 CarbonylContact O-C 3.6Å; H102-W104 WeakPolarHBondContact O-CA 3.44Å; H102-W104 PolarHBondContact O-N 2.87Å; H102-Y105 HydrophobicContact CB-CD1 3.83Å; H102-Y105 HydrophobicContact CB-CD2 4.26Å; H102-Y105 HydrophobicContact CB-CE1 3.52Å; H102-Y105 HydrophobicContact CB-CE2 3.97Å; H102-Y105 HydrophobicContact CB-CG 4.19Å; H102-Y105 AromaticContact CD2-CE2 3.73Å; 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 3.46Å; H102-Y105 AromaticContact ND1-CZ 3.89Å; H102-Y105 PolarHBondContact ND1-OH 3.23Å; H102-Y105 PolarHBondContact O-N 3.05Å; H102-Y105 VanDerWaalsContact O-O 3.08Å; H102-T107 PolarHBondContact NE2-OG1 3Å; H102-Q157 VanDerWaalsContact CE1-CD 3.41Å; H102-Q157 PolarHBondContact CE1-OE1 3.49Å; H102-D158 VanDerWaalsContact CA-OD2 3.27Å; H102-D158 WeakPolarHBondContact CA-OD2 3.41Å; H102-H161 VanDerWaalsContact C-CE1 3.47Å; H102-H161 PolarHBondContact O-CE1 3.4Å; H102-M207 WeakPolarHBondContact O-CE 3.45Å
103Q98.4Very high93.7Very high84 Ų8434 Ų3439%0.39317%0.173SC..THydrogen-bonded Turntrans-77.6104.5165.8-67.3-173.4-53.300109.7D158 V159 C200Q103-D158 PolarHBondContact N-OD2 3.4Å; Q103-V159 HydrophobicContact CG-CG2 3.88Å; Q103-C200 PolarHBondContact NE2-O 3.03Å
104W97.5Very high92.7Very high79 Ų7936.7 Ų36.730%0.29921%0.206SC..THydrogen-bonded Turncis-13277.8-4.4-63.6-85.4000109.3H102 C200 A202 N203 M207H102-W104 CarbonylContact O-C 3.6Å; H102-W104 WeakPolarHBondContact O-CA 3.44Å; H102-W104 PolarHBondContact O-N 2.87Å; W104-C200 PolarHBondContact NE1-O 2.87Å; W104-C200 VanDerWaalsContact NE1-O 3.11Å; W104-A202 HydrophobicContact CH2-CB 3.96Å; W104-A202 HydrophobicContact CZ2-CB 3.72Å; W104-N203 HydrophobicContact CB-CB 3.74Å; W104-N203 VanDerWaalsContact CD1-C 3.49Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 VanDerWaalsContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.86Å; W104-N203 HydrophobicContact CG-CB 3.44Å; W104-N203 VanDerWaalsContact CG-CB 3.44Å; W104-M207 HydrophobicContact CB-CB 4.37Å; W104-M207 HydrophobicContact CB-SD 4.19Å
105Y98.7Very high92.2Very high44 Ų4434.9 Ų34.917%0.17320%0.2CC..EExtended strand (participates in β ladder)trans-161.1172.5-17967-85.7000109.9H102 T107 N119 S120 Y121H102-Y105 HydrophobicContact CB-CD1 3.83Å; H102-Y105 HydrophobicContact CB-CD2 4.26Å; H102-Y105 HydrophobicContact CB-CE1 3.52Å; H102-Y105 HydrophobicContact CB-CE2 3.97Å; H102-Y105 HydrophobicContact CB-CG 4.19Å; H102-Y105 AromaticContact CD2-CE2 3.73Å; 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 3.46Å; H102-Y105 AromaticContact ND1-CZ 3.89Å; H102-Y105 PolarHBondContact ND1-OH 3.23Å; H102-Y105 PolarHBondContact O-N 3.05Å; H102-Y105 VanDerWaalsContact O-O 3.08Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.47Å; Y105-N119 HydrophobicContact CD2-CB 4.06Å; Y105-N119 HydrophobicContact CE2-CB 4.19Å; Y105-S120 WeakPolarHBondContact CB-O 3.44Å; Y105-Y121 VanDerWaalsContact CB-CE1 3.46Å; Y105-Y121 HydrophobicContact CD1-CD1 4.31Å; 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 3.37Å; Y105-Y121 HydrophobicContact CD2-CE1 4.24Å; Y105-Y121 HydrophobicContact CD2-CE2 4.08Å; Y105-Y121 AromaticContact CD2-CZ 3.78Å; Y105-Y121 HydrophobicContact CE1-CE1 4.16Å; Y105-Y121 AromaticContact CE1-CZ 3.95Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.26Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.48Å; Y105-Y121 HydrophobicContact CG-CD1 4.04Å; Y105-Y121 AromaticContact CG-CE1 3.43Å; Y105-Y121 HydrophobicContact CG-CE1 3.43Å; Y105-Y121 VanDerWaalsContact CG-CE1 3.43Å; Y105-Y121 HydrophobicContact CG-CE2 4.08Å; Y105-Y121 AromaticContact CG-CZ 3.44Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.44Å
106W98.8Very high92.1Very high0 Ų036.6 Ų36.60%021%0.209CC..EExtended strand (participates in β ladder)trans-116.8139.1175.6-6693.6000110.5S99 I100 G101 Y108 N119 S120 H161 W163 A174 C196 M207 I209S99-W106 VanDerWaalsContact OG-CE3 3.25Å; I100-W106 WeakPolarHBondContact O-CA 3.41Å; G101-W106 VanDerWaalsContact CA-CE3 3.48Å; W106-Y108 HydrophobicContact CB-CD2 4.42Å; W106-Y108 HydrophobicContact CB-CE2 3.59Å; W106-N119 CarbonylContact O-C 3.55Å; W106-N119 WeakPolarHBondContact O-CA 3.45Å; W106-S120 PolarHBondContact N-O 3.41Å; W106-S120 PolarHBondContact O-N 3.08Å; W106-H161 HydrophobicContact CH2-CB 3.76Å; W106-H161 HydrophobicContact CZ2-CB 4.15Å; W106-W163 AromaticContact CE3-CD1 3.84Å; W106-W163 HydrophobicContact CH2-CB 3.69Å; W106-W163 HydrophobicContact CH2-CG 4.33Å; W106-W163 HydrophobicContact CZ2-CB 4.3Å; W106-W163 HydrophobicContact CZ3-CB 3.96Å; W106-W163 AromaticContact CZ3-CD1 3.84Å; W106-W163 HydrophobicContact CZ3-CG 4.33Å; W106-A174 HydrophobicContact CH2-CB 4.11Å; W106-A174 HydrophobicContact CZ3-CB 4.06Å; W106-C196 HydrophobicContact CZ2-CB 4.32Å; W106-M207 HydrophobicContact CD2-CE 4.18Å; W106-M207 HydrophobicContact CG-CE 4.44Å; W106-M207 HydrophobicContact CZ2-CE 3.84Å; W106-M207 PolarHBondContact NE1-O 3.35Å; W106-I209 HydrophobicContact CG-CG1 4.43Å; W106-I209 HydrophobicContact CZ2-CD1 4.16Å
107T98.6Very high92.1Very high10 Ų1040.2 Ų40.26%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-105.5138.5167.6-60.60000109S99 I100 H102 Y105 I117 F118 N119S99-T107 WeakPolarHBondContact CA-O 3.39Å; I100-T107 PolarHBondContact N-O 2.8Å; I100-T107 PolarHBondContact O-N 2.95Å; H102-T107 PolarHBondContact NE2-OG1 3Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.47Å; T107-I117 HydrophobicContact CG2-CG2 3.66Å; T107-F118 WeakPolarHBondContact CA-O 3.46Å; T107-N119 PolarHBondContact OG1-OD1 2.92Å
108Y97.6Very high92.1Very high0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-119134.8176.7-63.4-85.2000110.5I97 K98 S99 W106 I117 F118 V142 M152 W163I97-Y108 HydrophobicContact CG2-CD1 4.34Å; K98-Y108 CarbonylContact O-C 3.54Å; K98-Y108 VanDerWaalsContact O-CA 3.29Å; K98-Y108 WeakPolarHBondContact O-CA 3.25Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.28Å; W106-Y108 HydrophobicContact CB-CD2 4.42Å; W106-Y108 HydrophobicContact CB-CE2 3.59Å; Y108-I117 WeakPolarHBondContact O-CA 3.19Å; Y108-F118 AromaticContact CD2-CE2 3.89Å; Y108-F118 HydrophobicContact CD2-CE2 3.89Å; Y108-F118 HydrophobicContact CD2-CZ 4.29Å; Y108-F118 HydrophobicContact CG-CE2 4.39Å; Y108-F118 HydrophobicContact CG-CZ 4.37Å; Y108-F118 PolarHBondContact N-O 3.42Å; Y108-F118 PolarHBondContact O-N 3.23Å; Y108-V142 HydrophobicContact CD1-CG1 4.26Å; Y108-V142 HydrophobicContact CD1-CG2 3.68Å; Y108-V142 HydrophobicContact CD2-CG2 3.48Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.48Å; Y108-V142 HydrophobicContact CE1-CG1 4.49Å; Y108-V142 HydrophobicContact CE1-CG2 3.51Å; Y108-V142 HydrophobicContact CE2-CG2 3.29Å; Y108-V142 HydrophobicContact CG-CG2 3.66Å; Y108-M152 HydrophobicContact CD1-CE 4.43Å; Y108-M152 HydrophobicContact CE1-CE 4.3Å; Y108-W163 AromaticContact CE1-NE1 3.61Å; Y108-W163 AromaticContact CZ-NE1 3.74Å; Y108-W163 PolarHBondContact OH-NE1 3.22Å
109E95.8Very high92.2Very high35 Ų3541.8 Ų41.816%0.16424%0.236CC..EExtended strand (participates in β ladder)trans-120.2120.6178.2-49.6-179.5157.100109.9I97 K98 I100 L116 I117I97-E109 WeakPolarHBondContact CA-O 3.19Å; K98-E109 HydrophobicContact CB-CB 4.1Å; K98-E109 HydrophobicContact CB-CG 4.45Å; K98-E109 WeakPolarHBondContact CD-OE2 3.07Å; K98-E109 PolarHBondContact N-O 3.3Å; K98-E109 IonicContact NZ-OE2 2.86Å; K98-E109 PolarHBondContact NZ-OE2 3.18Å; K98-E109 PolarHBondContact O-N 3.49Å; I100-E109 HydrophobicContact CD1-CG 4.23Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.3Å; E109-L116 WeakPolarHBondContact CA-O 3.49Å; E109-I117 HydrophobicContact CB-CG1 4.22Å; E109-I117 HydrophobicContact CG-CD1 4.28Å; E109-I117 HydrophobicContact CG-CG1 4.01Å; E109-I117 HydrophobicContact CG-CG2 4.26Å
110Y92.8Very high92.2Very high1 Ų141.9 Ų41.90%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-100.285.7174.1-70.4-115.6000108.4I97 G115 L116 F118 V142 V143 L144 F219 V224I97-Y110 HydrophobicContact CD1-CD1 3.8Å; I97-Y110 HydrophobicContact CD1-CE1 3.37Å; I97-Y110 HydrophobicContact CD1-CE2 4.3Å; I97-Y110 HydrophobicContact CD1-CG 4.45Å; I97-Y110 HydrophobicContact CG1-CD1 3.85Å; I97-Y110 HydrophobicContact CG1-CD2 4.49Å; I97-Y110 HydrophobicContact CG1-CE1 3.95Å; I97-Y110 HydrophobicContact CG1-CG 4.15Å; I97-Y110 HydrophobicContact CG2-CD2 4.48Å; I97-Y110 HydrophobicContact CG2-CE2 4.32Å; Y110-G115 WeakPolarHBondContact O-CA 3.43Å; Y110-G115 PolarHBondContact O-N 3.28Å; Y110-L116 HydrophobicContact CD2-CD2 4.41Å; Y110-L116 PolarHBondContact N-O 3.31Å; Y110-L116 PolarHBondContact O-N 3.12Å; Y110-F118 HydrophobicContact CD2-CE1 4.01Å; Y110-F118 AromaticContact CE2-CE1 3.45Å; Y110-F118 HydrophobicContact CE2-CE1 3.45Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.45Å; Y110-F118 AromaticContact CE2-CZ 3.9Å; Y110-F118 HydrophobicContact CE2-CZ 3.9Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.25Å; Y110-V143 PolarHBondContact OH-N 3.1Å; Y110-V143 PolarHBondContact OH-O 3.2Å; Y110-L144 HydrophobicContact CE1-CD2 4.38Å; Y110-F219 HydrophobicContact CE1-CE2 4.28Å; Y110-F219 HydrophobicContact CE1-CZ 4.32Å; Y110-V224 HydrophobicContact CE1-CG1 4.24Å
111T81.8Confident92.1Very high77 Ų7746.1 Ų46.147%0.47225%0.253SS..THydrogen-bonded Turntrans-72.2-31.4-174.1510000113.2Y113T111-Y113 VanDerWaalsContact C-N 3.27Å; T111-Y113 PolarHBondContact O-N 3.48Å
112D81.7Confident92.1Very high89 Ų8947.9 Ų47.948%0.47626%0.262SS..THydrogen-bonded Turntrans-74.6-19.9-175.5-60.4-17.8000112.4L95 T96L95-D112 HydrophobicContact CD1-CB 4.49Å; T96-D112 PolarHBondContact N-OD2 3.15Å
113Y71.7Confident92.1Very high77 Ų7749.1 Ų49.130%0.30227%0.269SS..THydrogen-bonded Turntrans-122.366.8-175.3-69.8-92.2000112.3L95 T111 G115 F219 F225L95-Y113 HydrophobicContact CD1-CD2 3.78Å; L95-Y113 HydrophobicContact CD1-CE2 3.61Å; T111-Y113 VanDerWaalsContact C-N 3.27Å; T111-Y113 PolarHBondContact O-N 3.48Å; Y113-G115 VanDerWaalsContact C-N 3.28Å; Y113-G115 PolarHBondContact O-N 2.85Å; Y113-F219 HydrophobicContact CE2-CE1 4.12Å; Y113-F225 AromaticContact CD1-CZ 3.92Å; Y113-F225 HydrophobicContact CD1-CZ 3.92Å; Y113-F225 HydrophobicContact CG-CZ 4.03Å; Y113-F225 WeakPolarHBondContact O-CE1 3.45Å
114G70.8Confident92Very high86 Ų8648.1 Ų48.189%0.88727%0.269SS*.THydrogen-bonded Turntrans76.39.1170.300000115.5
115G80.7Confident91.8Very high44 Ų4447.8 Ų47.845%0.45428%0.279SS..THydrogen-bonded Turntrans72.536.3174.800000113.7Y110 Y113 I117Y110-G115 WeakPolarHBondContact O-CA 3.43Å; Y110-G115 PolarHBondContact O-N 3.28Å; Y113-G115 VanDerWaalsContact C-N 3.28Å; Y113-G115 PolarHBondContact O-N 2.85Å; G115-I117 PolarHBondContact O-N 2.66Å
116L88.7Confident91.7Very high39 Ų3953.6 Ų53.620%0.20431%0.312CS..EExtended strand (participates in β ladder)trans-62130.4173.3173.371.9000109.9E109 Y110 F118 V224 F225E109-L116 WeakPolarHBondContact CA-O 3.49Å; Y110-L116 HydrophobicContact CD2-CD2 4.41Å; Y110-L116 PolarHBondContact N-O 3.31Å; Y110-L116 PolarHBondContact O-N 3.12Å; L116-F118 HydrophobicContact CD2-CD1 4.28Å; L116-F118 HydrophobicContact CD2-CE1 4.36Å; L116-F118 HydrophobicContact CG-CD1 4.23Å; L116-V224 HydrophobicContact CD2-CG1 3.77Å; L116-V224 VanDerWaalsContact CD2-O 3.29Å; L116-V224 WeakPolarHBondContact CD2-O 3.34Å; L116-F225 HydrophobicContact CD2-CD1 4.39Å
117I94.2Very high91.5Very high99 Ų9960.6 Ų60.651%0.50834%0.343SS..EExtended strand (participates in β ladder)trans-134130.4177.9-56.4176000108.4T107 Y108 E109 G115T107-I117 HydrophobicContact CG2-CG2 3.66Å; Y108-I117 WeakPolarHBondContact O-CA 3.19Å; E109-I117 HydrophobicContact CB-CG1 4.22Å; E109-I117 HydrophobicContact CG-CD1 4.28Å; E109-I117 HydrophobicContact CG-CG1 4.01Å; E109-I117 HydrophobicContact CG-CG2 4.26Å; G115-I117 PolarHBondContact O-N 2.66Å
118F95.3Very high91.4Very high31 Ų3162.3 Ų62.314%0.13635%0.351CS..EExtended strand (participates in β ladder)trans-145.9160.5174.263.3-92.4000111.9T107 Y108 Y110 L116 N140 V142T107-F118 WeakPolarHBondContact CA-O 3.46Å; Y108-F118 AromaticContact CD2-CE2 3.89Å; Y108-F118 HydrophobicContact CD2-CE2 3.89Å; Y108-F118 HydrophobicContact CD2-CZ 4.29Å; Y108-F118 HydrophobicContact CG-CE2 4.39Å; Y108-F118 HydrophobicContact CG-CZ 4.37Å; Y108-F118 PolarHBondContact N-O 3.42Å; Y108-F118 PolarHBondContact O-N 3.23Å; Y110-F118 HydrophobicContact CD2-CE1 4.01Å; Y110-F118 AromaticContact CE2-CE1 3.45Å; Y110-F118 HydrophobicContact CE2-CE1 3.45Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.45Å; Y110-F118 AromaticContact CE2-CZ 3.9Å; Y110-F118 HydrophobicContact CE2-CZ 3.9Å; L116-F118 HydrophobicContact CD2-CD1 4.28Å; L116-F118 HydrophobicContact CD2-CE1 4.36Å; L116-F118 HydrophobicContact CG-CD1 4.23Å; F118-N140 HydrophobicContact CD2-CB 3.66Å; F118-N140 HydrophobicContact CE2-CB 3.97Å; F118-V142 HydrophobicContact CZ-CG2 4.48Å
119N98Very high91.3Very high62 Ų6269.1 Ų69.133%0.33238%0.383SS..EExtended strand (participates in β ladder)trans-101.7145.3174.9-60.7-29.9000110.1Y105 W106 T107 Y121 N140Y105-N119 HydrophobicContact CD2-CB 4.06Å; Y105-N119 HydrophobicContact CE2-CB 4.19Å; W106-N119 CarbonylContact O-C 3.55Å; W106-N119 WeakPolarHBondContact O-CA 3.45Å; T107-N119 PolarHBondContact OG1-OD1 2.92Å; N119-Y121 HydrophobicContact CB-CD2 4.05Å; N119-Y121 HydrophobicContact CB-CE2 3.53Å; N119-N140 WeakPolarHBondContact O-CB 3.39Å; N119-N140 PolarHBondContact O-ND2 2.95Å
120S98.3Very high91.3Very high1 Ų174.2 Ų74.21%0.00742%0.42CS..EExtended strand (participates in β ladder)trans-121.8108.3178.5-172.80000108.9Y105 W106 V138 D139 N140Y105-S120 WeakPolarHBondContact CB-O 3.44Å; W106-S120 PolarHBondContact N-O 3.41Å; W106-S120 PolarHBondContact O-N 3.08Å; S120-V138 WeakPolarHBondContact OG-CB 3.48Å; S120-D139 WeakPolarHBondContact CA-OD1 3.32Å; S120-N140 WeakPolarHBondContact CB-O 3.44Å; S120-N140 PolarHBondContact OG-O 2.9Å
121Y98.5Very high91.4Very high95 Ų9577.7 Ų77.737%0.37346%0.455SS..  trans-108.2147.1177.8-70.7-92.8000110.4Y105 N119 L123 V138 D139Y105-Y121 VanDerWaalsContact CB-CE1 3.46Å; Y105-Y121 HydrophobicContact CD1-CD1 4.31Å; 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 3.37Å; Y105-Y121 HydrophobicContact CD2-CE1 4.24Å; Y105-Y121 HydrophobicContact CD2-CE2 4.08Å; Y105-Y121 AromaticContact CD2-CZ 3.78Å; Y105-Y121 HydrophobicContact CE1-CE1 4.16Å; Y105-Y121 AromaticContact CE1-CZ 3.95Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.26Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.48Å; Y105-Y121 HydrophobicContact CG-CD1 4.04Å; Y105-Y121 AromaticContact CG-CE1 3.43Å; Y105-Y121 HydrophobicContact CG-CE1 3.43Å; Y105-Y121 VanDerWaalsContact CG-CE1 3.43Å; Y105-Y121 HydrophobicContact CG-CE2 4.08Å; Y105-Y121 AromaticContact CG-CZ 3.44Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.44Å; N119-Y121 HydrophobicContact CB-CD2 4.05Å; N119-Y121 HydrophobicContact CB-CE2 3.53Å; Y121-L123 PolarHBondContact O-N 3.21Å; Y121-V138 CarbonylContact O-C 3.54Å; Y121-V138 WeakPolarHBondContact O-CA 3.28Å; Y121-V138 VanDerWaalsContact O-CB 3.29Å; Y121-V138 WeakPolarHBondContact O-CB 3.13Å; Y121-D139 PolarHBondContact N-OD1 3.34Å; Y121-D139 PolarHBondContact O-N 3.15Å
122M98.4Very high92.1Very high37 Ų3776.5 Ų76.518%0.18245%0.446CS..BIsolated β-bridgetrans-60.2133.4169.5-170.7-175.872.900110.7P124 L135 F206 P208M122-P124 VanDerWaalsContact O-CD 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.49Å; M122-L135 HydrophobicContact CE-CD2 4.23Å; M122-L135 HydrophobicContact SD-CB 4.14Å; M122-L135 HydrophobicContact SD-CD2 3.89Å; M122-F206 WeakPolarHBondContact CB-O 3.37Å; M122-F206 HydrophobicContact CE-CB 3.68Å; M122-F206 HydrophobicContact CE-CD1 3.8Å; M122-F206 HydrophobicContact CE-CG 4Å; M122-F206 HydrophobicContact SD-CB 3.71Å; M122-F206 HydrophobicContact SD-CD1 3.81Å; M122-F206 HydrophobicContact SD-CG 4.22Å; M122-P208 HydrophobicContact CB-CG 4Å; M122-P208 HydrophobicContact CG-CG 3.95Å
123L97.2Very high92.9Very high42 Ų4274.4 Ų74.422%0.2244%0.435CS..PPolyproline II helixtrans-67.3123.2170.8-73.4176.2000110.3Y121 L128 D137 D139Y121-L123 PolarHBondContact O-N 3.21Å; L123-L128 HydrophobicContact CB-CD2 3.92Å; L123-D137 HydrophobicContact CD1-CB 4.15Å; L123-D137 PolarHBondContact N-O 3.41Å; L123-D139 HydrophobicContact CD2-CB 4.09Å
124P96.8Very high94.1Very high62 Ų6278.5 Ų78.540%0.40345%0.45SS..PPolyproline II helixtrans-60.4145.6172.8-2231.9000111.2M122 L126 F127M122-P124 VanDerWaalsContact O-CD 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.49Å; P124-L126 PolarHBondContact O-N 3.16Å; P124-F127 HydrophobicContact CB-CD2 3.84Å; P124-F127 HydrophobicContact CB-CE2 4.34Å; P124-F127 HydrophobicContact CG-CD2 3.78Å; P124-F127 HydrophobicContact CG-CE2 4.15Å; P124-F127 PolarHBondContact O-N 3.5Å
125S94.1Very high95.4Very high72 Ų7276 Ų7650%0.50342%0.416SS..THydrogen-bonded Turntrans-59.5-18.5-175.5-54.80000115.1F127S125-F127 VanDerWaalsContact C-N 3.34Å
126L96.2Very high96.2Very high166 Ų16675.2 Ų75.287%0.86940%0.401SS*.THydrogen-bonded Turntrans-75.5-20.6175.9-66.5169.3000113.5P124P124-L126 PolarHBondContact O-N 3.16Å
127F94.8Very high96.7Very high148 Ų14873.6 Ų73.665%0.64939%0.393SS*.SBendtrans-1075.1-177.8-59.9-63000113.1P124 S125P124-F127 HydrophobicContact CB-CD2 3.84Å; P124-F127 HydrophobicContact CB-CE2 4.34Å; P124-F127 HydrophobicContact CG-CD2 3.78Å; P124-F127 HydrophobicContact CG-CE2 4.15Å; P124-F127 PolarHBondContact O-N 3.5Å; S125-F127 VanDerWaalsContact C-N 3.34Å
128L96.1Very high96.8Very high45 Ų4569.2 Ų69.224%0.23637%0.371CS..  trans-71.7133.2177.2-65.5173.2000110.4L123 D132 R134L123-L128 HydrophobicContact CB-CD2 3.92Å; L128-D132 HydrophobicContact CB-CB 4.1Å; L128-D132 HydrophobicContact CD2-CB 3.67Å; L128-D132 HydrophobicContact CG-CB 4.41Å; L128-R134 HydrophobicContact CD1-CB 4.11Å; L128-R134 HydrophobicContact CD1-CG 4.29Å
129E96.4Very high96.9Very high143 Ų14371.3 Ų71.367%0.66838%0.383SS*.  trans-87.4159.5171.8-61.6-165.7156.700111G131 D132E129-G131 PolarHBondContact O-N 2.85Å; E129-D132 PolarHBondContact N-OD2 2.88Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 3.3Å
130P96.1Very high96.8Very high143 Ų14370.2 Ų70.293%0.92938%0.377SS*.THydrogen-bonded Turntrans-58.2111.7174.7-24.334.9000112
131G94.1Very high96.7Very high73 Ų7373.3 Ų73.375%0.75339%0.389SS*.THydrogen-bonded Turntrans120.9-21.5-17700000112.9E129E129-G131 PolarHBondContact O-N 2.85Å
132D96.4Very high96.6Very high53 Ų5368.8 Ų68.828%0.28337%0.371SS..  trans-71.1154.4178.2-64.3-16.1000112.3L128 E129 D137L128-D132 HydrophobicContact CB-CB 4.1Å; L128-D132 HydrophobicContact CD2-CB 3.67Å; L128-D132 HydrophobicContact CG-CB 4.41Å; E129-D132 PolarHBondContact N-OD2 2.88Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 3.3Å; D132-D137 WeakPolarHBondContact CA-OD2 3.37Å
133L97.3Very high96.5Very high44 Ų4467.6 Ų67.623%0.2337%0.366CS..  trans-101.9111.4-175.3-60.1171.4000110.2M1 L135 L136 D137 Y193M1-L133 HydrophobicContact CE-CD1 3.71Å; M1-L133 HydrophobicContact CE-CD2 3.8Å; M1-L133 HydrophobicContact CE-CG 4.31Å; M1-L133 HydrophobicContact SD-CD1 3.19Å; M1-L133 WeakPolarHBondContact SD-CD1 3.33Å; M1-L133 HydrophobicContact SD-CD2 3.85Å; M1-L133 HydrophobicContact SD-CG 4.13Å; L133-L135 PolarHBondContact O-N 3.19Å; L133-L136 HydrophobicContact CB-CB 3.86Å; L133-L136 HydrophobicContact CB-CD1 4.3Å; L133-L136 HydrophobicContact CD1-CD1 4.29Å; L133-L136 PolarHBondContact O-N 3.47Å; L133-D137 PolarHBondContact N-OD2 3.48Å; L133-D137 PolarHBondContact O-N 3.32Å; L133-D137 VanDerWaalsContact O-N 3.1Å; L133-Y193 HydrophobicContact CD1-CD1 4.33Å; L133-Y193 HydrophobicContact CD1-CD2 4.36Å; L133-Y193 HydrophobicContact CD1-CE1 3.79Å; L133-Y193 HydrophobicContact CD1-CE2 3.81Å; L133-Y193 VanDerWaalsContact CD1-CZ 3.5Å
134R97.8Very high96.4Very high163 Ų16365.6 Ų65.662%0.61536%0.355SS*.THydrogen-bonded Turntrans-53127.5175-167.3-169.364.387.64.2111L128 L136L128-R134 HydrophobicContact CD1-CB 4.11Å; L128-R134 HydrophobicContact CD1-CG 4.29Å; R134-L136 PolarHBondContact O-N 3.08Å
135L97.8Very high96.3Very high34 Ų3462.7 Ų62.718%0.17834%0.337CS..THydrogen-bonded Turntrans70.90.1-179.2-44.6-173.6000116.6M122 L133 F206 P208M122-L135 HydrophobicContact CE-CD2 4.23Å; M122-L135 HydrophobicContact SD-CB 4.14Å; M122-L135 HydrophobicContact SD-CD2 3.89Å; L133-L135 PolarHBondContact O-N 3.19Å; L135-F206 HydrophobicContact CD1-CD1 4.46Å; L135-F206 HydrophobicContact CD1-CE1 4.07Å; L135-F206 HydrophobicContact CD2-CD1 3.81Å; L135-F206 HydrophobicContact CD2-CE1 3.75Å; L135-P208 WeakPolarHBondContact O-CG 3.39Å
136L98.2Very high96.4Very high28 Ų2860.3 Ų60.315%0.14732%0.318CS..THydrogen-bonded Turntrans-116.1-39.1-177.5-69.8180000112.4M1 L133 R134 Y193 Q195 P208 V210M1-L136 HydrophobicContact CE-CD1 3.81Å; L133-L136 HydrophobicContact CB-CB 3.86Å; L133-L136 HydrophobicContact CB-CD1 4.3Å; L133-L136 HydrophobicContact CD1-CD1 4.29Å; L133-L136 PolarHBondContact O-N 3.47Å; R134-L136 PolarHBondContact O-N 3.08Å; L136-Y193 HydrophobicContact CB-CD1 3.79Å; L136-Y193 HydrophobicContact CB-CE1 4.28Å; L136-Q195 HydrophobicContact CD2-CG 3.81Å; L136-P208 WeakPolarHBondContact O-CB 3.5Å; L136-P208 WeakPolarHBondContact O-CG 2.91Å; L136-V210 WeakPolarHBondContact O-CG2 3.21Å
137D97.9Very high96.2Very high5 Ų559.6 Ų59.63%0.02731%0.31CS..  trans-69.6148.9178-84.8-59000112.7L123 D132 L133 R141L123-D137 HydrophobicContact CD1-CB 4.15Å; L123-D137 PolarHBondContact N-O 3.41Å; D132-D137 WeakPolarHBondContact CA-OD2 3.37Å; L133-D137 PolarHBondContact N-OD2 3.48Å; L133-D137 PolarHBondContact O-N 3.32Å; L133-D137 VanDerWaalsContact O-N 3.1Å; D137-R141 IonicContact OD1-CZ 3.58Å; D137-R141 IonicContact OD1-NE 3.85Å; D137-R141 IonicContact OD1-NH2 2.76Å; D137-R141 PolarHBondContact OD1-NH2 3.39Å
138V98.1Very high96.1Very high7 Ų752.9 Ų52.94%0.04228%0.282CS..BIsolated β-bridgetrans-126.7159-177.2-64.30000110.4S120 Y121 N140 R141 P208 V210S120-V138 WeakPolarHBondContact OG-CB 3.48Å; Y121-V138 CarbonylContact O-C 3.54Å; Y121-V138 WeakPolarHBondContact O-CA 3.28Å; Y121-V138 VanDerWaalsContact O-CB 3.29Å; Y121-V138 WeakPolarHBondContact O-CB 3.13Å; V138-N140 VanDerWaalsContact CG2-O 3.3Å; V138-N140 WeakPolarHBondContact CG2-O 3.37Å; V138-R141 HydrophobicContact CG2-CG 3.91Å; V138-P208 HydrophobicContact CG1-CG 3.7Å; V138-V210 HydrophobicContact CB-CG2 4.34Å; V138-V210 HydrophobicContact CG1-CG2 3.94Å; V138-V210 HydrophobicContact CG2-CB 3.68Å; V138-V210 HydrophobicContact CG2-CG2 3.62Å
139D96.2Very high96Very high74 Ų7452.4 Ų52.440%0.39628%0.282SS..SBendtrans-65.2-44.917458.8-5.7000112.3S120 Y121 L123S120-D139 WeakPolarHBondContact CA-OD1 3.32Å; Y121-D139 PolarHBondContact N-OD1 3.34Å; Y121-D139 PolarHBondContact O-N 3.15Å; L123-D139 HydrophobicContact CD2-CB 4.09Å
140N96Very high95.9Very high39 Ų3945.6 Ų45.621%0.20925%0.25CC..SBendtrans-124116-179.3-60.1-66.5000110.4F118 N119 S120 V138F118-N140 HydrophobicContact CD2-CB 3.66Å; F118-N140 HydrophobicContact CE2-CB 3.97Å; N119-N140 WeakPolarHBondContact O-CB 3.39Å; N119-N140 PolarHBondContact O-ND2 2.95Å; S120-N140 WeakPolarHBondContact CB-O 3.44Å; S120-N140 PolarHBondContact OG-O 2.9Å; V138-N140 VanDerWaalsContact CG2-O 3.3Å; V138-N140 WeakPolarHBondContact CG2-O 3.37Å
141R96.7Very high95.9Very high66 Ų6641.7 Ų41.725%0.24922%0.217CC..  trans-83.9151.3176.3-61.3-177.7173.4164.5-1.5110.9D137 V138 V143 V210 E212D137-R141 IonicContact OD1-CZ 3.58Å; D137-R141 IonicContact OD1-NE 3.85Å; D137-R141 IonicContact OD1-NH2 2.76Å; D137-R141 PolarHBondContact OD1-NH2 3.39Å; V138-R141 HydrophobicContact CG2-CG 3.91Å; R141-V143 PolarHBondContact O-N 3.32Å; R141-V210 HydrophobicContact CB-CG1 4.35Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.7Å; R141-E212 HydrophobicContact CB-CB 4.32Å; R141-E212 IonicContact NH1-OE2 3.93Å
142V96.1Very high96Very high0 Ų038.2 Ų38.20%018%0.181CC..EExtended strand (participates in β ladder)trans-85102.4173.7-174.40000108.5Y108 Y110 F118 L144 V210 L211 E212Y108-V142 HydrophobicContact CD1-CG1 4.26Å; Y108-V142 HydrophobicContact CD1-CG2 3.68Å; Y108-V142 HydrophobicContact CD2-CG2 3.48Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.48Å; Y108-V142 HydrophobicContact CE1-CG1 4.49Å; Y108-V142 HydrophobicContact CE1-CG2 3.51Å; Y108-V142 HydrophobicContact CE2-CG2 3.29Å; Y108-V142 HydrophobicContact CG-CG2 3.66Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.25Å; F118-V142 HydrophobicContact CZ-CG2 4.48Å; V142-L144 HydrophobicContact CG1-CD1 4.22Å; V142-L144 HydrophobicContact CG1-CD2 3.96Å; V142-L144 HydrophobicContact CG1-CG 4.02Å; V142-V210 PolarHBondContact N-O 3.05Å; V142-L211 HydrophobicContact CB-CD2 3.6Å; V142-L211 HydrophobicContact CG1-CD2 3.85Å; V142-L211 HydrophobicContact CG2-CD2 4.21Å; V142-L211 CarbonylContact O-C 3.59Å; V142-L211 WeakPolarHBondContact O-CA 3.32Å; V142-E212 PolarHBondContact O-N 3.21Å
143V95.4Very high96Very high12 Ų1237.1 Ų37.17%0.07317%0.174CC..EExtended strand (participates in β ladder)trans-83.7130-179.7-172.60000109.8Y110 R141 E212 I214 F219 V224Y110-V143 PolarHBondContact OH-N 3.1Å; Y110-V143 PolarHBondContact OH-O 3.2Å; R141-V143 PolarHBondContact O-N 3.32Å; V143-E212 CarbonylContact C-O 3.52Å; V143-E212 VanDerWaalsContact CA-O 3.3Å; V143-E212 WeakPolarHBondContact CA-O 3.33Å; V143-E212 HydrophobicContact CG2-CB 4.33Å; V143-I214 HydrophobicContact CG1-CD1 3.43Å; V143-I214 VanDerWaalsContact CG1-CD1 3.43Å; V143-I214 HydrophobicContact CG1-CG1 3.79Å; V143-F219 HydrophobicContact CG1-CD2 4.29Å; V143-F219 WeakPolarHBondContact O-CE2 3.33Å; V143-V224 HydrophobicContact CB-CG1 4.49Å; V143-V224 HydrophobicContact CB-CG2 3.72Å; V143-V224 HydrophobicContact CG1-CG2 3.67Å; V143-V224 HydrophobicContact CG2-CG2 4.47Å
144L95Very high96.1Very high0 Ų035 Ų350%016%0.163CC..EExtended strand (participates in β ladder)trans-141.2153.5-176.4-53.6171000111.8L95 I97 Y110 V142 I150 F184 L211 E212 L213 I214L95-L144 HydrophobicContact CD2-CD2 4.27Å; I97-L144 HydrophobicContact CD1-CD2 2.96Å; I97-L144 HydrophobicContact CD1-CG 4.44Å; I97-L144 HydrophobicContact CG1-CD2 4.46Å; Y110-L144 HydrophobicContact CE1-CD2 4.38Å; V142-L144 HydrophobicContact CG1-CD1 4.22Å; V142-L144 HydrophobicContact CG1-CD2 3.96Å; V142-L144 HydrophobicContact CG1-CG 4.02Å; L144-I150 HydrophobicContact CB-CD1 3.84Å; L144-I150 HydrophobicContact CD1-CD1 4.19Å; L144-I150 HydrophobicContact CD2-CD1 4.46Å; L144-I150 HydrophobicContact CG-CD1 4.41Å; L144-F184 HydrophobicContact CD1-CE2 4.42Å; L144-F184 HydrophobicContact CD1-CZ 3.77Å; L144-L211 HydrophobicContact CD1-CD1 4.22Å; L144-L211 HydrophobicContact CD1-CD2 3.86Å; L144-L211 HydrophobicContact CD1-CG 4.48Å; L144-E212 PolarHBondContact N-O 3.48Å; L144-L213 HydrophobicContact CB-CD2 3.56Å; L144-L213 HydrophobicContact CD1-CD2 3.92Å; L144-L213 HydrophobicContact CG-CD2 4.16Å; L144-L213 WeakPolarHBondContact O-CA 3.41Å; L144-I214 PolarHBondContact O-N 2.96Å
145P95Very high96.1Very high2 Ų228.2 Ų28.21%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-76.6141.9174.231-33.9000112.5L95 A148 I150 I214 L216 F219L95-P145 HydrophobicContact CD2-CG 4.17Å; P145-A148 HydrophobicContact CB-CB 4.33Å; P145-A148 HydrophobicContact CG-CB 3.99Å; P145-I150 HydrophobicContact CG-CD1 4.5Å; P145-I214 CarbonylContact C-O 3.59Å; P145-I214 VanDerWaalsContact CA-O 3.28Å; P145-I214 WeakPolarHBondContact CA-O 3.45Å; P145-L216 HydrophobicContact CB-CB 4.19Å; P145-L216 HydrophobicContact CB-CD1 3.7Å; P145-L216 HydrophobicContact CG-CD1 4.19Å; P145-F219 HydrophobicContact CB-CB 4.28Å; P145-F219 HydrophobicContact CB-CD1 4.34Å; P145-F219 HydrophobicContact CB-CG 4.22Å; P145-F219 HydrophobicContact CG-CD1 4.23Å; P145-F219 HydrophobicContact CG-CE1 4.41Å; P145-F219 HydrophobicContact CG-CG 4.39Å
146I96Very high96.1Very high22 Ų2227 Ų2711%0.11313%0.134CC..SBendtrans-75.3161.5164.563.1175.7000111.2A148 R188 P189 L213 I214 P215I146-A148 PolarHBondContact O-N 2.95Å; I146-R188 WeakPolarHBondContact CG2-O 3.36Å; I146-P189 HydrophobicContact CD1-CB 4.41Å; I146-P189 HydrophobicContact CG2-CB 4.34Å; I146-L213 HydrophobicContact CG2-CB 3.64Å; I146-I214 PolarHBondContact N-O 3.35Å; I146-P215 HydrophobicContact CD1-CG 4.47Å
147E93.4Very high96.1Very high150 Ų15032 Ų3270%0.70116%0.157SC*.SBendtrans60.46.4174.9-58.3-179.7173.300115.5A186E147-A186 PolarHBondContact N-O 3.47Å
148A91.9Very high96.1Very high8 Ų834.5 Ų34.57%0.06617%0.17CC..SBendtrans-106.3134.1174.100000110.2P145 I146 I150P145-A148 HydrophobicContact CB-CB 4.33Å; P145-A148 HydrophobicContact CG-CB 3.99Å; I146-A148 PolarHBondContact O-N 2.95Å; A148-I150 PolarHBondContact O-N 3.32Å
149P93.4Very high96.2Very high34 Ų3436.7 Ų36.722%0.22118%0.183CC..  trans-66.4118.5170.1-17.130.1000110.3N91 P93 S94 T185N91-P149 HydrophobicContact CB-CB 4.49Å; P93-P149 CarbonylContact C-O 3.59Å; P93-P149 WeakPolarHBondContact CA-O 3.46Å; S94-P149 PolarHBondContact N-O 3.3Å; P149-T185 WeakPolarHBondContact CA-OG1 3.29Å
150I94.4Very high96.3Very high0 Ų037.1 Ų37.10%019%0.185CC..EExtended strand (participates in β ladder)trans-107.9134.7-179.1-64157.4000109L144 P145 A148 M152 T183 F184L144-I150 HydrophobicContact CB-CD1 3.84Å; L144-I150 HydrophobicContact CD1-CD1 4.19Å; L144-I150 HydrophobicContact CD2-CD1 4.46Å; L144-I150 HydrophobicContact CG-CD1 4.41Å; P145-I150 HydrophobicContact CG-CD1 4.5Å; A148-I150 PolarHBondContact O-N 3.32Å; I150-M152 HydrophobicContact CG2-CG 4.46Å; I150-M152 HydrophobicContact CG2-SD 4.18Å; I150-T183 VanDerWaalsContact O-CA 3.28Å; I150-T183 WeakPolarHBondContact O-CA 3.43Å; I150-F184 HydrophobicContact CB-CE1 4.29Å; I150-F184 HydrophobicContact CB-CZ 4.25Å; I150-F184 HydrophobicContact CD1-CE2 3.99Å; I150-F184 HydrophobicContact CD1-CZ 4.13Å; I150-F184 HydrophobicContact CG2-CE1 4.12Å; I150-F184 HydrophobicContact CG2-CZ 4.21Å; I150-F184 PolarHBondContact N-O 3.05Å; I150-F184 PolarHBondContact O-N 3.47Å
151R95.6Very high96.4Very high62 Ų6235.2 Ų35.223%0.23418%0.175CC..EExtended strand (participates in β ladder)trans-101.1119.5170.3-178.1-170.4-73.9144.1-3.4109.6P93 L95 T96 I97 M153 Q181 T183P93-R151 HydrophobicContact CB-CB 3.72Å; P93-R151 VanDerWaalsContact CD-NH2 3.29Å; P93-R151 HydrophobicContact CG-CB 3.76Å; P93-R151 VanDerWaalsContact CG-NH2 3.32Å; L95-R151 PolarHBondContact O-N 3.08Å; T96-R151 WeakPolarHBondContact CA-O 3.24Å; T96-R151 HydrophobicContact CG2-CB 4.38Å; T96-R151 HydrophobicContact CG2-CG 4.31Å; I97-R151 PolarHBondContact N-O 3.27Å; R151-M153 VanDerWaalsContact CD-SD 3.57Å; R151-M153 HydrophobicContact CG-SD 3.79Å; R151-Q181 HydrophobicContact CG-CG 3.64Å; R151-T183 HydrophobicContact CB-CG2 4.28Å; R151-T183 HydrophobicContact CG-CG2 4.41Å
152M96.2Very high96.5Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-98.1126.1169.4-65.2-61.8-65.300109.8I97 Y108 I150 I154 W163 Q181 T182 F184I97-M152 HydrophobicContact CB-CE 4.36Å; I97-M152 HydrophobicContact CB-SD 3.83Å; I97-M152 HydrophobicContact CG2-CE 4Å; I97-M152 HydrophobicContact CG2-SD 4.11Å; I97-M152 CarbonylContact O-C 3.54Å; I97-M152 WeakPolarHBondContact O-CA 3.44Å; Y108-M152 HydrophobicContact CD1-CE 4.43Å; Y108-M152 HydrophobicContact CE1-CE 4.3Å; I150-M152 HydrophobicContact CG2-CG 4.46Å; I150-M152 HydrophobicContact CG2-SD 4.18Å; M152-I154 HydrophobicContact CB-CD1 4.11Å; M152-I154 HydrophobicContact CB-CG1 4.22Å; M152-W163 HydrophobicContact CE-CH2 4.24Å; M152-W163 HydrophobicContact CE-CZ2 3.91Å; M152-W163 HydrophobicContact CG-CH2 4.32Å; M152-W163 HydrophobicContact CG-CZ3 4.46Å; M152-Q181 WeakPolarHBondContact O-CA 3.35Å; M152-T182 HydrophobicContact CB-CG2 3.86Å; M152-T182 PolarHBondContact N-O 2.87Å; M152-T182 PolarHBondContact O-N 3.44Å; M152-F184 HydrophobicContact CG-CD1 4.26Å; M152-F184 HydrophobicContact CG-CE1 3.56Å; M152-F184 HydrophobicContact SD-CE1 4.36Å
153M97.3Very high96.6Very high30 Ų3032.1 Ų32.115%0.14816%0.163CC..EExtended strand (participates in β ladder)trans-102.2117.6171-55.3-56.8-71.900108.6T96 I97 K98 S99 R151 L179 N180 Q181T96-M153 HydrophobicContact CG2-CG 3.77Å; I97-M153 PolarHBondContact O-N 2.96Å; K98-M153 CarbonylContact C-O 3.57Å; K98-M153 VanDerWaalsContact CA-O 3.24Å; K98-M153 WeakPolarHBondContact CA-O 3.48Å; K98-M153 HydrophobicContact CB-CB 4.43Å; K98-M153 HydrophobicContact CG-CB 4.18Å; K98-M153 WeakPolarHBondContact CG-O 3.31Å; S99-M153 PolarHBondContact N-O 3.45Å; R151-M153 VanDerWaalsContact CD-SD 3.57Å; R151-M153 HydrophobicContact CG-SD 3.79Å; M153-L179 HydrophobicContact CB-CD1 3.87Å; M153-L179 HydrophobicContact CB-CD2 4.29Å; M153-L179 HydrophobicContact CB-CG 4.07Å; M153-L179 HydrophobicContact CE-CD2 3.44Å; M153-L179 VanDerWaalsContact CE-CD2 3.44Å; M153-L179 HydrophobicContact CE-CG 3.67Å; M153-N180 CarbonylContact C-O 3.48Å; M153-N180 VanDerWaalsContact CA-O 3.32Å; M153-N180 WeakPolarHBondContact CA-O 3.47Å; M153-Q181 HydrophobicContact CE-CB 4.14Å; M153-Q181 HydrophobicContact SD-CB 3.81Å; M153-Q181 HydrophobicContact SD-CG 3.7Å
154I98.6Very high96.8Very high0 Ų031.7 Ų31.70%016%0.161CC..EExtended strand (participates in β ladder)trans-117.8126.7-167.1-63.3160.6000109.3S99 M152 W163 T172 A174 N180 T182S99-I154 WeakPolarHBondContact O-CA 3.05Å; M152-I154 HydrophobicContact CB-CD1 4.11Å; M152-I154 HydrophobicContact CB-CG1 4.22Å; I154-W163 HydrophobicContact CD1-CB 4.07Å; I154-W163 HydrophobicContact CD1-CD2 4.2Å; I154-W163 HydrophobicContact CD1-CE3 3.84Å; I154-W163 HydrophobicContact CD1-CG 4.33Å; I154-W163 HydrophobicContact CG1-CB 4.33Å; I154-W163 HydrophobicContact CG2-CB 3.87Å; I154-T172 HydrophobicContact CB-CG2 4.32Å; I154-T172 HydrophobicContact CD1-CG2 3.97Å; I154-A174 HydrophobicContact CG2-CB 3.67Å; I154-N180 PolarHBondContact N-O 3.41Å; I154-N180 PolarHBondContact O-N 2.92Å; I154-T182 HydrophobicContact CD1-CG2 3.75Å
155T98.8Very high97Very high20 Ų2031.7 Ų31.712%0.12316%0.161CC..EExtended strand (participates in β ladder)trans-151.9179.7179.9-164.80000110.9K98 S99 I100 G101 A174 I175 R178 L179K98-T155 HydrophobicContact CD-CG2 4.2Å; S99-T155 PolarHBondContact O-N 3.41Å; I100-T155 CarbonylContact C-O 3.57Å; I100-T155 WeakPolarHBondContact CA-O 3.47Å; I100-T155 HydrophobicContact CG1-CG2 4.06Å; I100-T155 HydrophobicContact CG2-CG2 4.41Å; G101-T155 PolarHBondContact N-O 3.27Å; T155-A174 WeakPolarHBondContact O-CB 3.46Å; T155-I175 PolarHBondContact OG1-O 3.47Å; T155-R178 VanDerWaalsContact CB-O 3.25Å; T155-R178 WeakPolarHBondContact CB-O 3.41Å; T155-R178 PolarHBondContact OG1-O 3.47Å; T155-L179 HydrophobicContact CG2-CD1 3.98Å
156S98.5Very high97.1Very high7 Ų734.4 Ų34.45%0.04918%0.179CC..EExtended strand (participates in β ladder)trans-136.3154.6174.2174.20000111.4G101 D158 V159 H161 P176G101-S156 WeakPolarHBondContact O-CA 3.38Å; G101-S156 PolarHBondContact O-OG 3.07Å; S156-D158 PolarHBondContact OG-N 3.43Å; S156-D158 PolarHBondContact OG-OD1 2.86Å; S156-V159 VanDerWaalsContact CB-O 3.29Å; S156-V159 WeakPolarHBondContact CB-O 3.45Å; S156-V159 PolarHBondContact OG-O 3.33Å; S156-H161 PolarHBondContact OG-CD2 3.23Å; S156-P176 WeakPolarHBondContact O-CA 3.33Å
157Q98.4Very high97.2Very high135 Ų13533.5 Ų33.563%0.63117%0.174SC*.SBendtrans-100.4-4.6171.5-76.4-175.718.500114.3I100 G101 H102I100-Q157 HydrophobicContact CG2-CB 4.28Å; I100-Q157 HydrophobicContact CG2-CG 3.63Å; G101-Q157 PolarHBondContact O-N 2.92Å; H102-Q157 VanDerWaalsContact CE1-CD 3.41Å; H102-Q157 PolarHBondContact CE1-OE1 3.49Å
158D97.8Very high97.4Very high56 Ų5626.4 Ų26.430%0.29914%0.141SC..SBendtrans-134.6-85.9-177.748.831.3000114.4H102 Q103 S156 H161 P176H102-D158 VanDerWaalsContact CA-OD2 3.27Å; H102-D158 WeakPolarHBondContact CA-OD2 3.41Å; Q103-D158 PolarHBondContact N-OD2 3.4Å; S156-D158 PolarHBondContact OG-N 3.43Å; S156-D158 PolarHBondContact OG-OD1 2.86Å; D158-H161 IonicContact OD1-CD2 2.8Å; D158-H161 IonicContact OD1-CE1 3.82Å; D158-H161 IonicContact OD1-NE2 3.83Å; D158-H161 PolarHBondContact OD1-NE2 3.23Å; D158-P176 WeakPolarHBondContact O-CG 3.21Å
159V98.5Very high97.7Very high53 Ų5327.3 Ų27.332%0.32115%0.152SC..SBendtrans-112.6-178-175.6-62.50000110.5Q103 S156 H161 C200Q103-V159 HydrophobicContact CG-CG2 3.88Å; S156-V159 VanDerWaalsContact CB-O 3.29Å; S156-V159 WeakPolarHBondContact CB-O 3.45Å; S156-V159 PolarHBondContact OG-O 3.33Å; V159-H161 PolarHBondContact O-CD2 3.5Å; V159-C200 HydrophobicContact CG2-CB 3.83Å
160L98.7Very high97.9Very high83 Ų8326.3 Ų26.344%0.43514%0.144SC..  trans-68.4135.1172.3-61.2176.9000110.4I175 E198 C200L160-I175 HydrophobicContact CD2-CB 4.16Å; L160-I175 HydrophobicContact CD2-CG1 3.88Å; L160-I175 HydrophobicContact CD2-CG2 3.95Å; L160-E198 HydrophobicContact CB-CG 3.77Å; L160-C200 WeakPolarHBondContact O-CB 3.34Å
161H98.8Very high98.1Very high0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans-132.4175167.1-59.6-94.2000108.6H102 W106 S156 D158 V159 D173 A174 C200 M207H102-H161 VanDerWaalsContact C-CE1 3.47Å; H102-H161 PolarHBondContact O-CE1 3.4Å; W106-H161 HydrophobicContact CH2-CB 3.76Å; W106-H161 HydrophobicContact CZ2-CB 4.15Å; S156-H161 PolarHBondContact OG-CD2 3.23Å; D158-H161 IonicContact OD1-CD2 2.8Å; D158-H161 IonicContact OD1-CE1 3.82Å; D158-H161 IonicContact OD1-NE2 3.83Å; D158-H161 PolarHBondContact OD1-NE2 3.23Å; V159-H161 PolarHBondContact O-CD2 3.5Å; H161-D173 CarbonylContact O-C 3.52Å; H161-D173 WeakPolarHBondContact O-CA 3.35Å; H161-A174 HydrophobicContact CB-CB 3.92Å; H161-A174 PolarHBondContact N-O 3.46Å; H161-A174 PolarHBondContact O-N 2.88Å; H161-C200 VanDerWaalsContact CE1-CB 3.4Å; H161-C200 WeakPolarHBondContact CE1-CB 3.34Å; H161-C200 VanDerWaalsContact ND1-CB 3.29Å; H161-C200 WeakPolarHBondContact ND1-CB 3.27Å; H161-C200 PolarHBondContact ND1-SG 3.37Å; H161-M207 WeakPolarHBondContact ND1-CE 3.49Å
162S98.7Very high98.3Very high0 Ų030.1 Ų30.10%016%0.164CC..EExtended strand (participates in β ladder)trans-145119.9171.9-171.60000110K171 D173 C196 S197S162-K171 WeakPolarHBondContact OG-CE 3.47Å; S162-D173 WeakPolarHBondContact CB-OD1 3.42Å; S162-D173 PolarHBondContact OG-OD1 3.43Å; S162-C196 WeakPolarHBondContact O-CA 3.38Å; S162-S197 PolarHBondContact O-N 3.09Å
163W98.8Very high98.4Very high0 Ų033.2 Ų33.20%018%0.181CC..EExtended strand (participates in β ladder)trans-85.4114.3-178.6-170.391.9000108.6S99 W106 Y108 M152 I154 V165 L170 K171 T172 I209 L211S99-W163 VanDerWaalsContact OG-CD1 3.22Å; W106-W163 AromaticContact CE3-CD1 3.84Å; W106-W163 HydrophobicContact CH2-CB 3.69Å; W106-W163 HydrophobicContact CH2-CG 4.33Å; W106-W163 HydrophobicContact CZ2-CB 4.3Å; W106-W163 HydrophobicContact CZ3-CB 3.96Å; W106-W163 AromaticContact CZ3-CD1 3.84Å; W106-W163 HydrophobicContact CZ3-CG 4.33Å; Y108-W163 AromaticContact CE1-NE1 3.61Å; Y108-W163 AromaticContact CZ-NE1 3.74Å; Y108-W163 PolarHBondContact OH-NE1 3.22Å; M152-W163 HydrophobicContact CE-CH2 4.24Å; M152-W163 HydrophobicContact CE-CZ2 3.91Å; M152-W163 HydrophobicContact CG-CH2 4.32Å; M152-W163 HydrophobicContact CG-CZ3 4.46Å; I154-W163 HydrophobicContact CD1-CB 4.07Å; I154-W163 HydrophobicContact CD1-CD2 4.2Å; I154-W163 HydrophobicContact CD1-CE3 3.84Å; I154-W163 HydrophobicContact CD1-CG 4.33Å; I154-W163 HydrophobicContact CG1-CB 4.33Å; I154-W163 HydrophobicContact CG2-CB 3.87Å; W163-V165 HydrophobicContact CE3-CG2 4.47Å; W163-V165 HydrophobicContact CH2-CG2 3.65Å; W163-V165 HydrophobicContact CZ2-CG2 3.89Å; W163-V165 HydrophobicContact CZ3-CG2 3.96Å; W163-L170 HydrophobicContact CH2-CD1 4.31Å; W163-L170 HydrophobicContact CZ3-CB 4.15Å; W163-L170 HydrophobicContact CZ3-CD1 3.85Å; W163-K171 WeakPolarHBondContact O-CA 3.36Å; W163-T172 PolarHBondContact N-O 2.9Å; W163-T172 PolarHBondContact O-N 3.22Å; W163-I209 HydrophobicContact CB-CD1 4.31Å; W163-I209 HydrophobicContact CD2-CD1 4.22Å; W163-I209 HydrophobicContact CG-CD1 3.74Å; W163-I209 HydrophobicContact CZ2-CG2 3.85Å; W163-L211 HydrophobicContact CH2-CD1 4.11Å; W163-L211 HydrophobicContact CH2-CD2 4.34Å; W163-L211 HydrophobicContact CZ2-CD1 4.43Å; W163-L211 HydrophobicContact CZ2-CD2 3.9Å
164A98.8Very high98.5Very high4 Ų431.8 Ų31.83%0.03317%0.174CC..EExtended strand (participates in β ladder)trans-136.5131.6-172.100000112L170 K171 G194 Q195 S197A164-L170 CarbonylContact C-O 3.59Å; A164-L170 VanDerWaalsContact CA-O 3.25Å; A164-L170 WeakPolarHBondContact CA-O 3.38Å; A164-K171 HydrophobicContact CB-CB 4.1Å; A164-K171 HydrophobicContact CB-CG 4.07Å; A164-G194 WeakPolarHBondContact O-CA 3.36Å; A164-Q195 PolarHBondContact O-N 3.28Å; A164-S197 VanDerWaalsContact CB-OG 3.25Å; A164-S197 WeakPolarHBondContact CB-OG 3.24Å
165V98.7Very high98.5Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-131.994.9174.2-175.60000107.9W163 T167 L168 G169 L170 I209 L211W163-V165 HydrophobicContact CE3-CG2 4.47Å; W163-V165 HydrophobicContact CH2-CG2 3.65Å; W163-V165 HydrophobicContact CZ2-CG2 3.89Å; W163-V165 HydrophobicContact CZ3-CG2 3.96Å; V165-T167 PolarHBondContact O-N 3.01Å; 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 4.18Å; V165-L168 PolarHBondContact O-N 3.26Å; V165-L168 VanDerWaalsContact O-N 3.13Å; V165-G169 PolarHBondContact O-N 2.91Å; V165-L170 PolarHBondContact N-O 2.93Å; V165-L170 PolarHBondContact O-N 3.04Å; V165-I209 HydrophobicContact CG2-CG2 3.8Å; V165-L211 HydrophobicContact CB-CD1 4.47Å; V165-L211 HydrophobicContact CG1-CD1 4.14Å; V165-L211 HydrophobicContact CG2-CD1 4.01Å; V165-L211 HydrophobicContact CG2-CG 4.27Å
166P98.4Very high98.4Very high58 Ų5835.7 Ų35.738%0.37720%0.196SC..G310 helixtrans-60.4-36.9-168.5-28.636.1000115.1L168 G169P166-L168 PolarHBondContact O-N 2.98Å; P166-G169 PolarHBondContact O-N 3Å
167T98.1Very high98.4Very high3 Ų339.6 Ų39.62%0.01824%0.238CC..G310 helixtrans-64.6-26-179.761.20000112.6Q10 T13 M17 V165 Y192Q10-T167 HydrophobicContact CB-CG2 3.86Å; T13-T167 HydrophobicContact CG2-CG2 4.49Å; T13-T167 PolarHBondContact N-O 3.43Å; T13-T167 WeakPolarHBondContact OG1-CB 3.34Å; T13-T167 PolarHBondContact OG1-O 3.41Å; T13-T167 PolarHBondContact OG1-OG1 2.81Å; T13-T167 VanDerWaalsContact OG1-OG1 3.05Å; M17-T167 WeakPolarHBondContact CB-O 3.43Å; M17-T167 WeakPolarHBondContact CG-O 3.33Å; V165-T167 PolarHBondContact O-N 3.01Å; T167-Y192 HydrophobicContact CG2-CD1 4.38Å; T167-Y192 WeakPolarHBondContact OG1-CD1 3.49Å
168L97.9Very high98.4Very high1 Ų140.2 Ų40.21%0.00523%0.234CC..G310 helixtrans-90.3-3.5176-68.4170.8000112.8T13 S14 V165 P166 L170 F184 A186 L211T13-L168 WeakPolarHBondContact OG1-CD2 3.49Å; T13-L168 WeakPolarHBondContact OG1-CG 3.5Å; S14-L168 VanDerWaalsContact OG-C 3.32Å; S14-L168 PolarHBondContact OG-O 3.48Å; 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 4.18Å; V165-L168 PolarHBondContact O-N 3.26Å; V165-L168 VanDerWaalsContact O-N 3.13Å; P166-L168 PolarHBondContact O-N 2.98Å; L168-L170 VanDerWaalsContact C-N 3.27Å; L168-L170 HydrophobicContact CB-CB 4.48Å; L168-L170 HydrophobicContact CB-CD1 3.59Å; L168-L170 HydrophobicContact CB-CG 3.74Å; L168-L170 HydrophobicContact CD1-CD1 3.82Å; L168-L170 HydrophobicContact CG-CD1 4.35Å; L168-F184 HydrophobicContact CD1-CD2 3.9Å; L168-F184 HydrophobicContact CD1-CE2 3.67Å; L168-F184 HydrophobicContact CD1-CZ 4.12Å; L168-F184 HydrophobicContact CD2-CD2 4.09Å; L168-F184 HydrophobicContact CD2-CE2 4.43Å; L168-A186 HydrophobicContact CD2-CB 3.94Å; L168-L211 HydrophobicContact CD1-CD1 3.43Å; L168-L211 VanDerWaalsContact CD1-CD1 3.43Å
169G97.8Very high98.4Very high28 Ų2841.8 Ų41.829%0.28924%0.242SC..THydrogen-bonded Turntrans69.524.9-174.300000113.2M17 V165 P166M17-G169 VanDerWaalsContact SD-CA 3.57Å; V165-G169 PolarHBondContact O-N 2.91Å; P166-G169 PolarHBondContact O-N 3Å
170L97.9Very high98.3Very high12 Ų1240.4 Ų40.46%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-103.8129.6-174.2-60.7170.6000111.1W163 A164 V165 L168 T182 F184W163-L170 HydrophobicContact CH2-CD1 4.31Å; W163-L170 HydrophobicContact CZ3-CB 4.15Å; W163-L170 HydrophobicContact CZ3-CD1 3.85Å; A164-L170 CarbonylContact C-O 3.59Å; A164-L170 VanDerWaalsContact CA-O 3.25Å; A164-L170 WeakPolarHBondContact CA-O 3.38Å; V165-L170 PolarHBondContact N-O 2.93Å; V165-L170 PolarHBondContact O-N 3.04Å; L168-L170 VanDerWaalsContact C-N 3.27Å; L168-L170 HydrophobicContact CB-CB 4.48Å; L168-L170 HydrophobicContact CB-CD1 3.59Å; L168-L170 HydrophobicContact CB-CG 3.74Å; L168-L170 HydrophobicContact CD1-CD1 3.82Å; L168-L170 HydrophobicContact CG-CD1 4.35Å; L170-T182 HydrophobicContact CD2-CG2 4.25Å; L170-T182 WeakPolarHBondContact CD2-OG1 3.22Å; L170-F184 HydrophobicContact CD1-CB 3.89Å; L170-F184 HydrophobicContact CD1-CD1 3.27Å; L170-F184 HydrophobicContact CD1-CD2 4.22Å; L170-F184 HydrophobicContact CD1-CE1 3.69Å; L170-F184 HydrophobicContact CD1-CG 3.54Å; L170-F184 HydrophobicContact CD1-CZ 4.33Å; L170-F184 HydrophobicContact CD2-CB 3.92Å; L170-F184 HydrophobicContact CD2-CD1 4.29Å; L170-F184 HydrophobicContact CD2-CG 4.43Å; L170-F184 HydrophobicContact CG-CB 4.34Å; L170-F184 HydrophobicContact CG-CD1 4.38Å; L170-F184 HydrophobicContact CG-CG 4.49Å
171K98.6Very high98.2Very high122 Ų12240.1 Ų40.153%0.5323%0.229SC..EExtended strand (participates in β ladder)trans-150.6123164.1178.3174.4175.2173.30108.4S162 W163 A164 S197S162-K171 WeakPolarHBondContact OG-CE 3.47Å; W163-K171 WeakPolarHBondContact O-CA 3.36Å; A164-K171 HydrophobicContact CB-CB 4.1Å; A164-K171 HydrophobicContact CB-CG 4.07Å; K171-S197 PolarHBondContact NZ-O 3.45Å
172T98.6Very high98Very high21 Ų2141 Ų4113%0.12924%0.235CC..EExtended strand (participates in β ladder)trans-145.5130.5178.7-53.80000110.1I154 W163 N180I154-T172 HydrophobicContact CB-CG2 4.32Å; I154-T172 HydrophobicContact CD1-CG2 3.97Å; W163-T172 PolarHBondContact N-O 2.9Å; W163-T172 PolarHBondContact O-N 3.22Å; T172-N180 HydrophobicContact CG2-CB 3.51Å
173D98.8Very high97.8Very high64 Ų6442.2 Ų42.234%0.34224%0.242SC..EExtended strand (participates in β ladder)trans-70.9135.9-178.1-60.6-17.8000111.3H161 S162 I175 N180H161-D173 CarbonylContact O-C 3.52Å; H161-D173 WeakPolarHBondContact O-CA 3.35Å; S162-D173 WeakPolarHBondContact CB-OD1 3.42Å; S162-D173 PolarHBondContact OG-OD1 3.43Å; D173-I175 HydrophobicContact CB-CD1 4.16Å; D173-I175 HydrophobicContact CB-CG1 3.99Å; D173-N180 PolarHBondContact O-ND2 3.39Å
174A98.7Very high97.6Very high0 Ų042.7 Ų42.70%024%0.244CC..EExtended strand (participates in β ladder)trans-94.5103.8170.900000107.9W106 I154 T155 H161W106-A174 HydrophobicContact CH2-CB 4.11Å; W106-A174 HydrophobicContact CZ3-CB 4.06Å; I154-A174 HydrophobicContact CG2-CB 3.67Å; T155-A174 WeakPolarHBondContact O-CB 3.46Å; H161-A174 HydrophobicContact CB-CB 3.92Å; H161-A174 PolarHBondContact N-O 3.46Å; H161-A174 PolarHBondContact O-N 2.88Å
175I98.7Very high97.5Very high47 Ų4744.4 Ų44.424%0.24125%0.254CS..  trans-112.1126.4-172.8-58.4168.9000108.8T155 L160 D173 G177 R178T155-I175 PolarHBondContact OG1-O 3.47Å; L160-I175 HydrophobicContact CD2-CB 4.16Å; L160-I175 HydrophobicContact CD2-CG1 3.88Å; L160-I175 HydrophobicContact CD2-CG2 3.95Å; D173-I175 HydrophobicContact CB-CD1 4.16Å; D173-I175 HydrophobicContact CB-CG1 3.99Å; I175-G177 PolarHBondContact O-N 3.47Å; I175-R178 HydrophobicContact CB-CB 4.1Å; I175-R178 HydrophobicContact CG2-CB 4.18Å; I175-R178 PolarHBondContact O-N 2.94Å
176P98.3Very high97.3Very high55 Ų5544.4 Ų44.436%0.35725%0.254SS..BIsolated β-bridgetrans-55.9129175.8-23.932.8000111.8S156 D158 R178S156-P176 WeakPolarHBondContact O-CA 3.33Å; D158-P176 WeakPolarHBondContact O-CG 3.21Å; P176-R178 VanDerWaalsContact C-N 3.29Å; P176-R178 PolarHBondContact O-N 3.42Å
177G97.4Very high97.2Very high89 Ų8944 Ų4492%0.91825%0.251SS*.THydrogen-bonded Turntrans77.94.6-17900000115.5I175I175-G177 PolarHBondContact O-N 3.47Å
178R98Very high97Very high149 Ų14948.5 Ų48.556%0.56227%0.267SS*.  trans-127.1138.2173.3177.9172174.3160.50.5110.5T155 I175 P176 N180T155-R178 VanDerWaalsContact CB-O 3.25Å; T155-R178 WeakPolarHBondContact CB-O 3.41Å; T155-R178 PolarHBondContact OG1-O 3.47Å; I175-R178 HydrophobicContact CB-CB 4.1Å; I175-R178 HydrophobicContact CG2-CB 4.18Å; I175-R178 PolarHBondContact O-N 2.94Å; P176-R178 VanDerWaalsContact C-N 3.29Å; P176-R178 PolarHBondContact O-N 3.42Å; R178-N180 PolarHBondContact NE-OD1 2.94Å; R178-N180 PolarHBondContact NH2-OD1 3.31Å
179L97.4Very high97Very high88 Ų8852.1 Ų52.146%0.46129%0.291SS..  trans-108.597.9176.2-165.268.4000108.4K98 M153 T155K98-L179 HydrophobicContact CD-CD1 4.3Å; K98-L179 HydrophobicContact CG-CD1 4.31Å; M153-L179 HydrophobicContact CB-CD1 3.87Å; M153-L179 HydrophobicContact CB-CD2 4.29Å; M153-L179 HydrophobicContact CB-CG 4.07Å; M153-L179 HydrophobicContact CE-CD2 3.44Å; M153-L179 VanDerWaalsContact CE-CD2 3.44Å; M153-L179 HydrophobicContact CE-CG 3.67Å; T155-L179 HydrophobicContact CG2-CD1 3.98Å
180N97.8Very high97Very high24 Ų2452.2 Ų52.213%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-80.6153.8174.7-76.4-32.1000110.1M153 I154 T172 D173 R178M153-N180 CarbonylContact C-O 3.48Å; M153-N180 VanDerWaalsContact CA-O 3.32Å; M153-N180 WeakPolarHBondContact CA-O 3.47Å; I154-N180 PolarHBondContact N-O 3.41Å; I154-N180 PolarHBondContact O-N 2.92Å; T172-N180 HydrophobicContact CG2-CB 3.51Å; D173-N180 PolarHBondContact O-ND2 3.39Å; R178-N180 PolarHBondContact NE-OD1 2.94Å; R178-N180 PolarHBondContact NH2-OD1 3.31Å
181Q95.4Very high97Very high78 Ų7853.8 Ų53.836%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-123.5140.2178.1-178.7178.7-48.100109.4R151 M152 M153R151-Q181 HydrophobicContact CG-CG 3.64Å; M152-Q181 WeakPolarHBondContact O-CA 3.35Å; M153-Q181 HydrophobicContact CE-CB 4.14Å; M153-Q181 HydrophobicContact SD-CB 3.81Å; M153-Q181 HydrophobicContact SD-CG 3.7Å
182T95.4Very high96.9Very high19 Ų1949 Ų4912%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-137.5148.9163.1-170.70000109.3M152 I154 L170M152-T182 HydrophobicContact CB-CG2 3.86Å; M152-T182 PolarHBondContact N-O 2.87Å; M152-T182 PolarHBondContact O-N 3.44Å; I154-T182 HydrophobicContact CD1-CG2 3.75Å; L170-T182 HydrophobicContact CD2-CG2 4.25Å; L170-T182 WeakPolarHBondContact CD2-OG1 3.22Å
183T94.8Very high96.9Very high24 Ų2449.3 Ų49.315%0.14728%0.28CS..EExtended strand (participates in β ladder)trans-118.2145.6176.446.50000110.4V90 I150 R151V90-T183 HydrophobicContact CG1-CG2 4.47Å; I150-T183 VanDerWaalsContact O-CA 3.28Å; I150-T183 WeakPolarHBondContact O-CA 3.43Å; R151-T183 HydrophobicContact CB-CG2 4.28Å; R151-T183 HydrophobicContact CG-CG2 4.41Å
184F94.9Very high96.9Very high11 Ų1146.4 Ų46.45%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-152.9160.317268.1-87.6000111.1L144 I150 M152 L168 L170 L211L144-F184 HydrophobicContact CD1-CE2 4.42Å; L144-F184 HydrophobicContact CD1-CZ 3.77Å; I150-F184 HydrophobicContact CB-CE1 4.29Å; I150-F184 HydrophobicContact CB-CZ 4.25Å; I150-F184 HydrophobicContact CD1-CE2 3.99Å; I150-F184 HydrophobicContact CD1-CZ 4.13Å; I150-F184 HydrophobicContact CG2-CE1 4.12Å; I150-F184 HydrophobicContact CG2-CZ 4.21Å; I150-F184 PolarHBondContact N-O 3.05Å; I150-F184 PolarHBondContact O-N 3.47Å; M152-F184 HydrophobicContact CG-CD1 4.26Å; M152-F184 HydrophobicContact CG-CE1 3.56Å; M152-F184 HydrophobicContact SD-CE1 4.36Å; L168-F184 HydrophobicContact CD1-CD2 3.9Å; L168-F184 HydrophobicContact CD1-CE2 3.67Å; L168-F184 HydrophobicContact CD1-CZ 4.12Å; L168-F184 HydrophobicContact CD2-CD2 4.09Å; L168-F184 HydrophobicContact CD2-CE2 4.43Å; L170-F184 HydrophobicContact CD1-CB 3.89Å; L170-F184 HydrophobicContact CD1-CD1 3.27Å; L170-F184 HydrophobicContact CD1-CD2 4.22Å; L170-F184 HydrophobicContact CD1-CE1 3.69Å; L170-F184 HydrophobicContact CD1-CG 3.54Å; L170-F184 HydrophobicContact CD1-CZ 4.33Å; L170-F184 HydrophobicContact CD2-CB 3.92Å; L170-F184 HydrophobicContact CD2-CD1 4.29Å; L170-F184 HydrophobicContact CD2-CG 4.43Å; L170-F184 HydrophobicContact CG-CB 4.34Å; L170-F184 HydrophobicContact CG-CD1 4.38Å; L170-F184 HydrophobicContact CG-CG 4.49Å; F184-L211 HydrophobicContact CZ-CD1 4.3Å
185T95.1Very high96.9Very high39 Ų3950.4 Ų50.424%0.23928%0.284CS..  trans-128.2126.8168.3-53.90000107.4S14 P15 P149S14-T185 WeakPolarHBondContact CA-O 3.26Å; S14-T185 VanDerWaalsContact CB-O 3.29Å; S14-T185 WeakPolarHBondContact CB-O 3.34Å; P15-T185 WeakPolarHBondContact CD-O 3.48Å; P149-T185 WeakPolarHBondContact CA-OG1 3.29Å
186A95.7Very high96.9Very high0 Ų048.6 Ų48.60%028%0.275CS..  trans-94.3138.3173.400000111.1T13 E147 L168 L213T13-A186 WeakPolarHBondContact O-CA 3.36Å; E147-A186 PolarHBondContact N-O 3.47Å; L168-A186 HydrophobicContact CD2-CB 3.94Å; A186-L213 HydrophobicContact CB-CD1 3.12Å; A186-L213 HydrophobicContact CB-CG 4.42Å
187T95.2Very high97Very high51 Ų5148.1 Ų48.131%0.31327%0.273SS..  trans-99.5-11.1-172.953.40000113.5T13 P15T13-T187 PolarHBondContact O-N 3.44Å; T13-T187 VanDerWaalsContact O-N 3.15Å; T13-T187 PolarHBondContact O-OG1 2.86Å; P15-T187 HydrophobicContact CG-CG2 3.96Å
188R95.4Very high97Very high96 Ų9647 Ų4736%0.36224%0.244SC..SBendtrans-138.8143.4-174.1-58.7-170.4-56.5-80.86.3111.1A12 I146 Y192A12-R188 VanDerWaalsContact O-CZ 3.24Å; A12-R188 PolarHBondContact O-NH1 3.48Å; A12-R188 PolarHBondContact O-NH2 2.82Å; I146-R188 WeakPolarHBondContact CG2-O 3.36Å; R188-Y192 PolarHBondContact O-OH 3.47Å; R188-Y192 VanDerWaalsContact O-OH 3.09Å
189P97.2Very high97Very high78 Ų7846 Ų4651%0.50625%0.249SC..  trans-72.9154.4173.331.4-34.5000110.6I146 Y192 L213I146-P189 HydrophobicContact CD1-CB 4.41Å; I146-P189 HydrophobicContact CG2-CB 4.34Å; P189-Y192 PolarHBondContact O-OH 3.22Å; P189-L213 CarbonylContact C-O 3.54Å; P189-L213 WeakPolarHBondContact CA-O 3.26Å; P189-L213 WeakPolarHBondContact CB-O 3.41Å
190G96.9Very high97Very high29 Ų2942 Ų4230%0.29923%0.228SC..EExtended strand (participates in β ladder)trans149-176.1177.400000113.3L213G190-L213 PolarHBondContact N-O 3.24Å; G190-L213 PolarHBondContact O-N 3.08Å
191V97.9Very high97.1Very high45 Ų4542.8 Ų42.827%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-107.8122.9178-1740000109.4Y193 V210 L211 E212V191-Y193 HydrophobicContact CB-CE2 4.2Å; V191-Y193 HydrophobicContact CG1-CD2 4.45Å; V191-Y193 HydrophobicContact CG1-CE1 4.24Å; V191-Y193 HydrophobicContact CG1-CE2 3.7Å; V191-V210 HydrophobicContact CG1-CG1 3.34Å; V191-L211 CarbonylContact C-O 3.48Å; V191-L211 VanDerWaalsContact CA-O 3.3Å; V191-L211 WeakPolarHBondContact CA-O 3.44Å; V191-E212 HydrophobicContact CG2-CG 4.35Å
192Y98.3Very high97.2Very high21 Ų2143 Ų438%0.08226%0.256CS..EExtended strand (participates in β ladder)trans-119.3136.5-176.3-55.7-72.4000110.6T13 T167 R188 P189 V210 L211 L213T13-Y192 HydrophobicContact CG2-CD1 3.65Å; T13-Y192 HydrophobicContact CG2-CE1 3.07Å; T167-Y192 HydrophobicContact CG2-CD1 4.38Å; T167-Y192 WeakPolarHBondContact OG1-CD1 3.49Å; R188-Y192 PolarHBondContact O-OH 3.47Å; R188-Y192 VanDerWaalsContact O-OH 3.09Å; P189-Y192 PolarHBondContact O-OH 3.22Å; Y192-V210 WeakPolarHBondContact O-CA 3.43Å; Y192-L211 PolarHBondContact N-O 3.22Å; Y192-L211 PolarHBondContact O-N 3.04Å; Y192-L213 HydrophobicContact CD2-CB 4.43Å; Y192-L213 HydrophobicContact CD2-CD1 3.4Å; Y192-L213 HydrophobicContact CD2-CG 3.63Å; Y192-L213 HydrophobicContact CE2-CB 4.04Å; Y192-L213 HydrophobicContact CE2-CD1 3.28Å; Y192-L213 HydrophobicContact CE2-CG 3.66Å
193Y98.7Very high97.3Very high28 Ų2845.2 Ų45.211%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-114146.7-169.4-61.7-95.4000110.6M1 L133 L136 V191 I209 V210M1-Y193 HydrophobicContact CB-CD2 3.88Å; M1-Y193 HydrophobicContact CB-CG 4.45Å; L133-Y193 HydrophobicContact CD1-CD1 4.33Å; L133-Y193 HydrophobicContact CD1-CD2 4.36Å; L133-Y193 HydrophobicContact CD1-CE1 3.79Å; L133-Y193 HydrophobicContact CD1-CE2 3.81Å; L133-Y193 VanDerWaalsContact CD1-CZ 3.5Å; L136-Y193 HydrophobicContact CB-CD1 3.79Å; L136-Y193 HydrophobicContact CB-CE1 4.28Å; V191-Y193 HydrophobicContact CB-CE2 4.2Å; V191-Y193 HydrophobicContact CG1-CD2 4.45Å; V191-Y193 HydrophobicContact CG1-CE1 4.24Å; V191-Y193 HydrophobicContact CG1-CE2 3.7Å; Y193-I209 CarbonylContact C-O 3.57Å; Y193-I209 WeakPolarHBondContact CA-O 3.28Å; Y193-V210 HydrophobicContact CD1-CB 4.49Å; Y193-V210 HydrophobicContact CD1-CG1 4.17Å; Y193-V210 HydrophobicContact CD1-CG2 3.66Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.86Å
194G98.6Very high97.5Very high4 Ų446.4 Ų46.44%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-145.5170.2178.800000111A164 P208 I209A164-G194 WeakPolarHBondContact O-CA 3.36Å; G194-P208 WeakPolarHBondContact O-CA 3.4Å; G194-I209 PolarHBondContact N-O 3.16Å; G194-I209 PolarHBondContact O-N 3.1Å
195Q98.7Very high97.6Very high83 Ų8349.1 Ų49.139%0.38829%0.292SS..EExtended strand (participates in β ladder)trans-143.3155.5175.5-66.4-171.1-88.300110.2L136 A164 S197 P208L136-Q195 HydrophobicContact CD2-CG 3.81Å; A164-Q195 PolarHBondContact O-N 3.28Å; Q195-S197 PolarHBondContact O-N 3.46Å; Q195-S197 PolarHBondContact O-OG 3.26Å; Q195-P208 HydrophobicContact CG-CB 4.42Å
196C98.6Very high97.8Very high9 Ų950.9 Ų50.96%0.06130%0.297CS..  trans-56.4128.3171.5-175.80000110.3W106 S162 E198 H204 M207W106-C196 HydrophobicContact CZ2-CB 4.32Å; S162-C196 WeakPolarHBondContact O-CA 3.38Å; C196-E198 PolarHBondContact SG-O 3.39Å; C196-E198 VanDerWaalsContact SG-O 3.34Å; C196-H204 PolarHBondContact O-CE1 3.01Å; C196-H204 VanDerWaalsContact O-CE1 3.3Å; C196-M207 HydrophobicContact CB-CE 4.2Å; C196-M207 HydrophobicContact CB-CG 3.64Å; C196-M207 HydrophobicContact CB-SD 3.99Å
197S98.6Very high97.9Very high46 Ų4651 Ų5132%0.32230%0.297SS..  trans-114.422.7-172.6-65.80000113.9S162 A164 K171 Q195S162-S197 PolarHBondContact O-N 3.09Å; A164-S197 VanDerWaalsContact CB-OG 3.25Å; A164-S197 WeakPolarHBondContact CB-OG 3.24Å; K171-S197 PolarHBondContact NZ-O 3.45Å; Q195-S197 PolarHBondContact O-N 3.46Å; Q195-S197 PolarHBondContact O-OG 3.26Å
198E98.6Very high98.1Very high64 Ų6448.7 Ų48.730%0.29928%0.283SS..SBendtrans-143.3137.9175.8-175.553.6-127.500110.4L160 C196 C200 H204L160-E198 HydrophobicContact CB-CG 3.77Å; C196-E198 PolarHBondContact SG-O 3.39Å; C196-E198 VanDerWaalsContact SG-O 3.34Å; E198-C200 PolarHBondContact O-N 3.23Å; E198-C200 VanDerWaalsContact O-N 3.15Å; E198-H204 PolarHBondContact O-CE1 3.34Å; E198-H204 PolarHBondContact O-ND1 3.25Å
199I98.2Very high98.3Very high129 Ų12944.1 Ų44.166%0.66227%0.266SS*.  trans-67.3114-171.3-174.2171000111.6
200C97.8Very high98.3Very high4 Ų440.4 Ų40.43%0.02724%0.242CC..  trans-122.314.3-172.6660000115Q103 W104 V159 L160 H161 E198 H204 M207Q103-C200 PolarHBondContact NE2-O 3.03Å; W104-C200 PolarHBondContact NE1-O 2.87Å; W104-C200 VanDerWaalsContact NE1-O 3.11Å; V159-C200 HydrophobicContact CG2-CB 3.83Å; L160-C200 WeakPolarHBondContact O-CB 3.34Å; H161-C200 VanDerWaalsContact CE1-CB 3.4Å; H161-C200 WeakPolarHBondContact CE1-CB 3.34Å; H161-C200 VanDerWaalsContact ND1-CB 3.29Å; H161-C200 WeakPolarHBondContact ND1-CB 3.27Å; H161-C200 PolarHBondContact ND1-SG 3.37Å; E198-C200 PolarHBondContact O-N 3.23Å; E198-C200 VanDerWaalsContact O-N 3.15Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; C200-M207 PolarHBondContact SG-SD 3.07Å
201G98.2Very high98.4Very high40 Ų4039 Ų3941%0.41223%0.227SC..SBendtrans112.9-154.9173.800000114.6N203 H204G201-N203 PolarHBondContact O-N 3.25Å; G201-H204 VanDerWaalsContact O-CB 3.27Å; G201-H204 WeakPolarHBondContact O-CB 3.48Å; G201-H204 PolarHBondContact O-N 3.45Å; G201-H204 VanDerWaalsContact O-N 3.12Å
202A97.9Very high98.4Very high82 Ų8240 Ų4068%0.67823%0.229SC*.THydrogen-bonded Turntrans-57-41-165.600000114.6W104W104-A202 HydrophobicContact CH2-CB 3.96Å; W104-A202 HydrophobicContact CZ2-CB 3.72Å
203N98.1Very high98.3Very high67 Ų6739.1 Ų39.136%0.35823%0.225SC..THydrogen-bonded Turntrans-106.330.3-179.6-64.1-28.9000112.7W104 G201 S205 F206W104-N203 HydrophobicContact CB-CB 3.74Å; W104-N203 VanDerWaalsContact CD1-C 3.49Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 VanDerWaalsContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.86Å; W104-N203 HydrophobicContact CG-CB 3.44Å; W104-N203 VanDerWaalsContact CG-CB 3.44Å; G201-N203 PolarHBondContact O-N 3.25Å; N203-S205 PolarHBondContact O-N 3.39Å; N203-S205 VanDerWaalsContact O-N 3.14Å; N203-F206 HydrophobicContact CB-CB 4.15Å; N203-F206 HydrophobicContact CB-CD2 3.8Å; N203-F206 HydrophobicContact CB-CG 4.48Å; N203-F206 PolarHBondContact O-N 3.02Å
204H98.4Very high98.2Very high49 Ų4938.8 Ų38.823%0.22723%0.226CC..G310 helixtrans-50.4-38.9176.7168.850.7000113.1C196 E198 C200 G201 F206C196-H204 PolarHBondContact O-CE1 3.01Å; C196-H204 VanDerWaalsContact O-CE1 3.3Å; E198-H204 PolarHBondContact O-CE1 3.34Å; E198-H204 PolarHBondContact O-ND1 3.25Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; G201-H204 VanDerWaalsContact O-CB 3.27Å; G201-H204 WeakPolarHBondContact O-CB 3.48Å; G201-H204 PolarHBondContact O-N 3.45Å; G201-H204 VanDerWaalsContact O-N 3.12Å; H204-F206 PolarHBondContact O-N 3.26Å
205S98.1Very high98Very high68 Ų6841.2 Ų41.248%0.47624%0.24SC..G310 helixtrans-76.5-2.6178.5-52.30000115.1N203N203-S205 PolarHBondContact O-N 3.39Å; N203-S205 VanDerWaalsContact O-N 3.14Å
206F98.5Very high97.6Very high76 Ų7640.8 Ų40.833%0.33324%0.241SC..G310 helixtrans-123.429.3-167.7-52.8-55.4000113.5M122 L135 N203 H204M122-F206 WeakPolarHBondContact CB-O 3.37Å; M122-F206 HydrophobicContact CE-CB 3.68Å; M122-F206 HydrophobicContact CE-CD1 3.8Å; M122-F206 HydrophobicContact CE-CG 4Å; M122-F206 HydrophobicContact SD-CB 3.71Å; M122-F206 HydrophobicContact SD-CD1 3.81Å; M122-F206 HydrophobicContact SD-CG 4.22Å; L135-F206 HydrophobicContact CD1-CD1 4.46Å; L135-F206 HydrophobicContact CD1-CE1 4.07Å; L135-F206 HydrophobicContact CD2-CD1 3.81Å; L135-F206 HydrophobicContact CD2-CE1 3.75Å; N203-F206 HydrophobicContact CB-CB 4.15Å; N203-F206 HydrophobicContact CB-CD2 3.8Å; N203-F206 HydrophobicContact CB-CG 4.48Å; N203-F206 PolarHBondContact O-N 3.02Å; H204-F206 PolarHBondContact O-N 3.26Å
207M98.5Very high97.2Very high3 Ų347.5 Ų47.52%0.01527%0.269CS..  trans-13069.1174.254.7179.7-64.500111.2H102 W104 W106 H161 C196 C200H102-M207 WeakPolarHBondContact O-CE 3.45Å; W104-M207 HydrophobicContact CB-CB 4.37Å; W104-M207 HydrophobicContact CB-SD 4.19Å; W106-M207 HydrophobicContact CD2-CE 4.18Å; W106-M207 HydrophobicContact CG-CE 4.44Å; W106-M207 HydrophobicContact CZ2-CE 3.84Å; W106-M207 PolarHBondContact NE1-O 3.35Å; H161-M207 WeakPolarHBondContact ND1-CE 3.49Å; C196-M207 HydrophobicContact CB-CE 4.2Å; C196-M207 HydrophobicContact CB-CG 3.64Å; C196-M207 HydrophobicContact CB-SD 3.99Å; C200-M207 PolarHBondContact SG-SD 3.07Å
208P98.6Very high96.7Very high2 Ų249.3 Ų49.31%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-70.6170.2-178.832.9-34000111.7M122 L135 L136 V138 G194 Q195M122-P208 HydrophobicContact CB-CG 4Å; M122-P208 HydrophobicContact CG-CG 3.95Å; L135-P208 WeakPolarHBondContact O-CG 3.39Å; L136-P208 WeakPolarHBondContact O-CB 3.5Å; L136-P208 WeakPolarHBondContact O-CG 2.91Å; V138-P208 HydrophobicContact CG1-CG 3.7Å; G194-P208 WeakPolarHBondContact O-CA 3.4Å; Q195-P208 HydrophobicContact CG-CB 4.42Å
209I98.9Very high96.3Very high0 Ų046.3 Ų46.30%026%0.26CS..EExtended strand (participates in β ladder)trans-124.7131.8178-65.1155.3000106.6W106 W163 V165 Y193 G194 L211W106-I209 HydrophobicContact CG-CG1 4.43Å; W106-I209 HydrophobicContact CZ2-CD1 4.16Å; W163-I209 HydrophobicContact CB-CD1 4.31Å; W163-I209 HydrophobicContact CD2-CD1 4.22Å; W163-I209 HydrophobicContact CG-CD1 3.74Å; W163-I209 HydrophobicContact CZ2-CG2 3.85Å; V165-I209 HydrophobicContact CG2-CG2 3.8Å; Y193-I209 CarbonylContact C-O 3.57Å; Y193-I209 WeakPolarHBondContact CA-O 3.28Å; G194-I209 PolarHBondContact N-O 3.16Å; G194-I209 PolarHBondContact O-N 3.1Å; I209-L211 HydrophobicContact CG2-CD2 4.49Å
210V98.7Very high95.6Very high0 Ų045.8 Ų45.80%026%0.255CS..EExtended strand (participates in β ladder)trans-131.1120.2175.9-172.40000109.6L136 V138 R141 V142 V191 Y192 Y193L136-V210 WeakPolarHBondContact O-CG2 3.21Å; V138-V210 HydrophobicContact CB-CG2 4.34Å; V138-V210 HydrophobicContact CG1-CG2 3.94Å; V138-V210 HydrophobicContact CG2-CB 3.68Å; V138-V210 HydrophobicContact CG2-CG2 3.62Å; R141-V210 HydrophobicContact CB-CG1 4.35Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.7Å; V142-V210 PolarHBondContact N-O 3.05Å; V191-V210 HydrophobicContact CG1-CG1 3.34Å; Y192-V210 WeakPolarHBondContact O-CA 3.43Å; Y193-V210 HydrophobicContact CD1-CB 4.49Å; Y193-V210 HydrophobicContact CD1-CG1 4.17Å; Y193-V210 HydrophobicContact CD1-CG2 3.66Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.86Å
211L98.3Very high94.8Very high0 Ų052.1 Ų52.10%029%0.285CS..EExtended strand (participates in β ladder)trans-101.1133172.8-58.2-174.8000109.4V142 L144 W163 V165 L168 F184 V191 Y192 I209 L213V142-L211 HydrophobicContact CB-CD2 3.6Å; V142-L211 HydrophobicContact CG1-CD2 3.85Å; V142-L211 HydrophobicContact CG2-CD2 4.21Å; V142-L211 CarbonylContact O-C 3.59Å; V142-L211 WeakPolarHBondContact O-CA 3.32Å; L144-L211 HydrophobicContact CD1-CD1 4.22Å; L144-L211 HydrophobicContact CD1-CD2 3.86Å; L144-L211 HydrophobicContact CD1-CG 4.48Å; W163-L211 HydrophobicContact CH2-CD1 4.11Å; W163-L211 HydrophobicContact CH2-CD2 4.34Å; W163-L211 HydrophobicContact CZ2-CD1 4.43Å; W163-L211 HydrophobicContact CZ2-CD2 3.9Å; V165-L211 HydrophobicContact CB-CD1 4.47Å; V165-L211 HydrophobicContact CG1-CD1 4.14Å; V165-L211 HydrophobicContact CG2-CD1 4.01Å; V165-L211 HydrophobicContact CG2-CG 4.27Å; L168-L211 HydrophobicContact CD1-CD1 3.43Å; L168-L211 VanDerWaalsContact CD1-CD1 3.43Å; F184-L211 HydrophobicContact CZ-CD1 4.3Å; V191-L211 CarbonylContact C-O 3.48Å; V191-L211 VanDerWaalsContact CA-O 3.3Å; V191-L211 WeakPolarHBondContact CA-O 3.44Å; Y192-L211 PolarHBondContact N-O 3.22Å; Y192-L211 PolarHBondContact O-N 3.04Å; I209-L211 HydrophobicContact CG2-CD2 4.49Å; L211-L213 HydrophobicContact CB-CD2 4.2Å
212E97.6Very high93.4Very high65 Ų6550.7 Ų50.730%0.30427%0.271SS..EExtended strand (participates in β ladder)trans-112.7108.6170.5-177.7170.1161.500109.1R141 V142 V143 L144 V191 I214R141-E212 HydrophobicContact CB-CB 4.32Å; R141-E212 IonicContact NH1-OE2 3.93Å; V142-E212 PolarHBondContact O-N 3.21Å; V143-E212 CarbonylContact C-O 3.52Å; V143-E212 VanDerWaalsContact CA-O 3.3Å; V143-E212 WeakPolarHBondContact CA-O 3.33Å; V143-E212 HydrophobicContact CG2-CB 4.33Å; L144-E212 PolarHBondContact N-O 3.48Å; V191-E212 HydrophobicContact CG2-CG 4.35Å; E212-I214 HydrophobicContact CG-CG2 4.15Å
213L96.9Very high91.4Very high2 Ų249.5 Ų49.51%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-98.6121.2-175.7-51.1-173.1000110L144 I146 A186 P189 G190 Y192 L211L144-L213 HydrophobicContact CB-CD2 3.56Å; L144-L213 HydrophobicContact CD1-CD2 3.92Å; L144-L213 HydrophobicContact CG-CD2 4.16Å; L144-L213 WeakPolarHBondContact O-CA 3.41Å; I146-L213 HydrophobicContact CG2-CB 3.64Å; A186-L213 HydrophobicContact CB-CD1 3.12Å; A186-L213 HydrophobicContact CB-CG 4.42Å; P189-L213 CarbonylContact C-O 3.54Å; P189-L213 WeakPolarHBondContact CA-O 3.26Å; P189-L213 WeakPolarHBondContact CB-O 3.41Å; G190-L213 PolarHBondContact N-O 3.24Å; G190-L213 PolarHBondContact O-N 3.08Å; Y192-L213 HydrophobicContact CD2-CB 4.43Å; Y192-L213 HydrophobicContact CD2-CD1 3.4Å; Y192-L213 HydrophobicContact CD2-CG 3.63Å; Y192-L213 HydrophobicContact CE2-CB 4.04Å; Y192-L213 HydrophobicContact CE2-CD1 3.28Å; Y192-L213 HydrophobicContact CE2-CG 3.66Å; L211-L213 HydrophobicContact CB-CD2 4.2Å
214I96Very high89.5Confident22 Ų2246.4 Ų46.411%0.11324%0.24CC..EExtended strand (participates in β ladder)trans-128.7158.9-174.657.5169.3000111.2V143 L144 P145 I146 E212 L216 I218 F219 P223V143-I214 HydrophobicContact CG1-CD1 3.43Å; V143-I214 VanDerWaalsContact CG1-CD1 3.43Å; V143-I214 HydrophobicContact CG1-CG1 3.79Å; L144-I214 PolarHBondContact O-N 2.96Å; P145-I214 CarbonylContact C-O 3.59Å; P145-I214 VanDerWaalsContact CA-O 3.28Å; P145-I214 WeakPolarHBondContact CA-O 3.45Å; I146-I214 PolarHBondContact N-O 3.35Å; E212-I214 HydrophobicContact CG-CG2 4.15Å; I214-L216 PolarHBondContact O-N 2.95Å; I214-I218 HydrophobicContact CD1-CB 4.32Å; I214-I218 HydrophobicContact CD1-CG2 4Å; I214-F219 HydrophobicContact CD1-CB 3.94Å; I214-F219 HydrophobicContact CD1-CD2 4.47Å; I214-F219 HydrophobicContact CG1-CB 4.11Å; I214-P223 HydrophobicContact CD1-CG 4.26Å
215P95.2Very high87.3Confident54 Ų5448.5 Ų48.535%0.35125%0.249SC..  trans-53.7137.2171.7-27.635.4000112.8I146 K217 I218 F219I146-P215 HydrophobicContact CD1-CG 4.47Å; P215-K217 PolarHBondContact O-N 2.91Å; P215-K217 VanDerWaalsContact O-N 3.14Å; P215-I218 HydrophobicContact CB-CD1 4.34Å; P215-I218 HydrophobicContact CB-CG1 4.36Å; P215-I218 HydrophobicContact CG-CD1 4.13Å; P215-I218 WeakPolarHBondContact O-CB 3.35Å; P215-I218 PolarHBondContact O-N 3.4Å; P215-F219 PolarHBondContact O-N 3Å; P215-F219 VanDerWaalsContact O-N 3.07Å
216L89.6Confident84.9Confident75 Ų7551 Ų5139%0.39326%0.261SS..Hα-helixtrans-50.2-42.9-178.6178.263000112.9P145 I214 I218 F219 E220P145-L216 HydrophobicContact CB-CB 4.19Å; P145-L216 HydrophobicContact CB-CD1 3.7Å; P145-L216 HydrophobicContact CG-CD1 4.19Å; I214-L216 PolarHBondContact O-N 2.95Å; L216-I218 PolarHBondContact O-N 3.5Å; L216-F219 HydrophobicContact CD1-CD1 4.36Å; L216-F219 WeakPolarHBondContact O-CB 3.49Å; L216-F219 PolarHBondContact O-N 3.02Å; L216-F219 VanDerWaalsContact O-N 3.13Å; L216-E220 HydrophobicContact CD1-CG 4.16Å; L216-E220 HydrophobicContact CG-CG 4.44Å; L216-E220 WeakPolarHBondContact O-CG 3.4Å; L216-E220 PolarHBondContact O-N 3.45Å
217K89.4Confident82.3Confident149 Ų14954.7 Ų54.765%0.64828%0.283SS*.Hα-helixtrans-58.4-35.8178.1-173.7177.5-177.4-1780113.1P215 M221P215-K217 PolarHBondContact O-N 2.91Å; P215-K217 VanDerWaalsContact O-N 3.14Å; K217-M221 HydrophobicContact CD-CE 4.3Å; K217-M221 HydrophobicContact CG-CE 3.85Å; K217-M221 VanDerWaalsContact O-CG 3.25Å; K217-M221 WeakPolarHBondContact O-CG 3.48Å; K217-M221 PolarHBondContact O-N 3.41Å
218I90.1Very high81.5Confident84 Ų8457.3 Ų57.343%0.43130%0.297SS..Hα-helixtrans-77.5-40.8178.1-60.2178.6000109.5I214 P215 L216 E220 M221 P223I214-I218 HydrophobicContact CD1-CB 4.32Å; I214-I218 HydrophobicContact CD1-CG2 4Å; P215-I218 HydrophobicContact CB-CD1 4.34Å; P215-I218 HydrophobicContact CB-CG1 4.36Å; P215-I218 HydrophobicContact CG-CD1 4.13Å; P215-I218 WeakPolarHBondContact O-CB 3.35Å; P215-I218 PolarHBondContact O-N 3.4Å; L216-I218 PolarHBondContact O-N 3.5Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.36Å; I218-M221 WeakPolarHBondContact O-CB 3.18Å; I218-M221 PolarHBondContact O-N 2.92Å; I218-M221 VanDerWaalsContact O-N 3.12Å; I218-P223 HydrophobicContact CG2-CG 4.15Å; I218-P223 WeakPolarHBondContact O-CD 3.2Å; I218-P223 WeakPolarHBondContact O-CG 3.36Å
219F89.1Confident80.6Confident2 Ų260.2 Ų60.21%0.00931%0.312CS..Hα-helixtrans-54.5-46.3174.8178.5-97.3000111.7L95 Y110 Y113 V143 P145 I214 P215 L216 M221 G222 V224L95-F219 HydrophobicContact CD2-CE1 4.23Å; L95-F219 HydrophobicContact CD2-CZ 3.79Å; Y110-F219 HydrophobicContact CE1-CE2 4.28Å; Y110-F219 HydrophobicContact CE1-CZ 4.32Å; Y113-F219 HydrophobicContact CE2-CE1 4.12Å; V143-F219 HydrophobicContact CG1-CD2 4.29Å; V143-F219 WeakPolarHBondContact O-CE2 3.33Å; P145-F219 HydrophobicContact CB-CB 4.28Å; P145-F219 HydrophobicContact CB-CD1 4.34Å; P145-F219 HydrophobicContact CB-CG 4.22Å; P145-F219 HydrophobicContact CG-CD1 4.23Å; P145-F219 HydrophobicContact CG-CE1 4.41Å; P145-F219 HydrophobicContact CG-CG 4.39Å; I214-F219 HydrophobicContact CD1-CB 3.94Å; I214-F219 HydrophobicContact CD1-CD2 4.47Å; I214-F219 HydrophobicContact CG1-CB 4.11Å; P215-F219 PolarHBondContact O-N 3Å; P215-F219 VanDerWaalsContact O-N 3.07Å; L216-F219 HydrophobicContact CD1-CD1 4.36Å; L216-F219 WeakPolarHBondContact O-CB 3.49Å; L216-F219 PolarHBondContact O-N 3.02Å; L216-F219 VanDerWaalsContact O-N 3.13Å; F219-M221 VanDerWaalsContact C-N 3.31Å; F219-M221 PolarHBondContact O-N 2.85Å; F219-G222 PolarHBondContact O-N 3.11Å; F219-V224 HydrophobicContact CD2-CG2 3.7Å; F219-V224 HydrophobicContact CE2-CG2 3.73Å
220E83.3Confident79.6Confident118 Ų11863.6 Ų63.655%0.55133%0.329SS*.Hα-helixtrans-68.8-23.4178.6-69.3177.2164.400114.2L216 I218 G222L216-E220 HydrophobicContact CD1-CG 4.16Å; L216-E220 HydrophobicContact CG-CG 4.44Å; L216-E220 WeakPolarHBondContact O-CG 3.4Å; L216-E220 PolarHBondContact O-N 3.45Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.36Å; E220-G222 PolarHBondContact O-N 3.49Å
221M81.9Confident78.5Confident136 Ų13667.3 Ų67.367%0.6735%0.349SS*.THydrogen-bonded Turntrans-71.9-4.7175.6-74.4172.3-179.400113.2K217 I218 F219K217-M221 HydrophobicContact CD-CE 4.3Å; K217-M221 HydrophobicContact CG-CE 3.85Å; K217-M221 VanDerWaalsContact O-CG 3.25Å; K217-M221 WeakPolarHBondContact O-CG 3.48Å; K217-M221 PolarHBondContact O-N 3.41Å; I218-M221 WeakPolarHBondContact O-CB 3.18Å; I218-M221 PolarHBondContact O-N 2.92Å; I218-M221 VanDerWaalsContact O-N 3.12Å; F219-M221 VanDerWaalsContact C-N 3.31Å; F219-M221 PolarHBondContact O-N 2.85Å
222G67.5Low77.2Confident11 Ų1171.5 Ų71.511%0.11337%0.37CS..  trans84.625.5168.900000119.1F219 E220 V224 F225F219-G222 PolarHBondContact O-N 3.11Å; E220-G222 PolarHBondContact O-N 3.49Å; G222-V224 PolarHBondContact O-N 2.67Å; G222-V224 VanDerWaalsContact O-N 3.09Å; G222-F225 VanDerWaalsContact CA-CD2 3.47Å; G222-F225 PolarHBondContact O-N 3.27Å
223P56.2Low75.9Confident56 Ų5671.9 Ų71.936%0.36438%0.375SS..G310 helixtrans-60-18.4168.426.1-30.6000112.4I214 I218 T226I214-P223 HydrophobicContact CD1-CG 4.26Å; I218-P223 HydrophobicContact CG2-CG 4.15Å; I218-P223 WeakPolarHBondContact O-CD 3.2Å; I218-P223 WeakPolarHBondContact O-CG 3.36Å; P223-T226 PolarHBondContact O-OG1 3.2Å
224V58.5Low74.4Confident3 Ų376.9 Ų76.92%0.01840%0.401CS..G310 helixtrans-74.9-23.1174.5-1670000112.7Y110 L116 V143 F219 G222Y110-V224 HydrophobicContact CE1-CG1 4.24Å; L116-V224 HydrophobicContact CD2-CG1 3.77Å; L116-V224 VanDerWaalsContact CD2-O 3.29Å; L116-V224 WeakPolarHBondContact CD2-O 3.34Å; V143-V224 HydrophobicContact CB-CG1 4.49Å; V143-V224 HydrophobicContact CB-CG2 3.72Å; V143-V224 HydrophobicContact CG1-CG2 3.67Å; V143-V224 HydrophobicContact CG2-CG2 4.47Å; F219-V224 HydrophobicContact CD2-CG2 3.7Å; F219-V224 HydrophobicContact CE2-CG2 3.73Å; G222-V224 PolarHBondContact O-N 2.67Å; G222-V224 VanDerWaalsContact O-N 3.09Å
225F52.3Low72.7Confident93 Ų9381.2 Ų81.241%0.40842%0.423SS..G310 helixtrans-98.54.3-176.7-53.7-64.8000113.8Y113 L116 G222Y113-F225 AromaticContact CD1-CZ 3.92Å; Y113-F225 HydrophobicContact CD1-CZ 3.92Å; Y113-F225 HydrophobicContact CG-CZ 4.03Å; Y113-F225 WeakPolarHBondContact O-CE1 3.45Å; L116-F225 HydrophobicContact CD2-CD1 4.39Å; G222-F225 VanDerWaalsContact CA-CD2 3.47Å; G222-F225 PolarHBondContact O-N 3.27Å
226T47.6Very low70.8Confident121 Ų12183.4 Ų83.474%0.74243%0.429SS*.  trans-111.82179.953.40000113.9P223P223-T226 PolarHBondContact O-OG1 3.2Å
227L44.7Very low69.1Low153 Ų15384.2 Ų84.280%0.80143%0.432SS*.  trans-77.60169.3-73.1167.6000110.6

Retrieved 227 of 227 residues in 67.9 ms (Link to these results)

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