A0A077Z3W5_TRITR Loading...

ATP synthase subunit delta, mitochondrial

Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB , UniProt , Accession A0A077Z3W5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 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
1M66.8Low87.6Confident230 Ų23078.6 Ų78.6100%1.13343%0.433SS*.  0132.80-160.4-179.3-156.600108.5
2F80.2Confident87.8Confident66 Ų6674 Ų7429%0.28941%0.408SS..  trans-125.3138.5176.1172.9-95.1000108.7V6 I38 K40F2-V6 HydrophobicContact CE1-CG1 3.66Å; F2-V6 HydrophobicContact CZ-CG1 3.89Å; F2-I38 HydrophobicContact CD1-CD1 3.89Å; F2-I38 HydrophobicContact CE1-CD1 4.27Å; F2-I38 HydrophobicContact CE1-CG2 4.01Å; F2-I38 HydrophobicContact CG-CD1 4.29Å; F2-I38 HydrophobicContact CZ-CG2 4.22Å; F2-K40 HydrophobicContact CE2-CD 4.18Å; F2-K40 HydrophobicContact CZ-CD 4.38Å; F2-K40 HydrophobicContact CZ-CG 4.31Å
3S86.3Confident87.8Confident119 Ų11968.5 Ų68.583%0.83238%0.379SS*.  trans-147.3133.7170.6-176.40000107.8
4G89.3Confident87.5Confident49 Ų4967.2 Ų67.251%0.50538%0.377SS..SBendtrans164.1173.4-17800000112.8
5L88.8Confident87.2Confident126 Ų12675.8 Ų75.866%0.6641%0.413SS*.  trans-75.7135175.3-64.3173.2000110.4Q41L5-Q41 HydrophobicContact CB-CG 4.12Å; L5-Q41 VanDerWaalsContact CD1-NE2 3.29Å
6V91.4Very high87.2Confident48 Ų4873.2 Ų73.229%0.29141%0.409SS..EExtended strand (participates in β ladder)trans-133.9146.9-177.9-59.60000109.2F2 I9 I38 V39F2-V6 HydrophobicContact CE1-CG1 3.66Å; F2-V6 HydrophobicContact CZ-CG1 3.89Å; V6-I9 HydrophobicContact CG2-CD1 3.93Å; V6-I9 HydrophobicContact CG2-CG1 4Å; V6-I38 HydrophobicContact CB-CG2 4.14Å; V6-I38 HydrophobicContact CG1-CG2 3.35Å; V6-V39 CarbonylContact C-O 3.58Å; V6-V39 WeakPolarHBondContact CA-O 3.35Å
7E91.5Very high87.4Confident93 Ų9376.6 Ų76.644%0.43542%0.421SS..EExtended strand (participates in β ladder)trans-85.8-38177.4-67.7-179.5-171.600111.3P22 V39 Q41 H42E7-P22 WeakPolarHBondContact O-CD 3.37Å; E7-P22 WeakPolarHBondContact O-CG 3.45Å; E7-V39 HydrophobicContact CB-CG1 4.48Å; E7-V39 PolarHBondContact N-O 3.48Å; E7-Q41 WeakPolarHBondContact OE1-CA 3.32Å; E7-H42 PolarHBondContact OE1-N 3.45Å
8K91.9Very high87.6Confident60 Ų6074.7 Ų74.726%0.26141%0.41SS..EExtended strand (participates in β ladder)trans-158.3155.317561.2-178.8-179.5-170.70111.2I20 Y21 V39K8-I20 WeakPolarHBondContact CA-O 2.99Å; K8-Y21 HydrophobicContact CB-CD1 4.09Å; K8-Y21 HydrophobicContact CB-CE1 4.05Å; K8-Y21 HydrophobicContact CD-CE1 3.74Å; K8-V39 HydrophobicContact CD-CG2 4.27Å; K8-V39 VanDerWaalsContact CE-CG2 3.49Å; K8-V39 HydrophobicContact CG-CB 3.69Å; K8-V39 HydrophobicContact CG-CG1 4.43Å; K8-V39 HydrophobicContact CG-CG2 3.72Å; K8-V39 PolarHBondContact O-N 2.9Å
9I92.7Very high87.9Confident13 Ų1372.3 Ų72.37%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-123.2138.8174.1-66.7165.9000108.2V6 G19 I20 I36 R37 V62V6-I9 HydrophobicContact CG2-CD1 3.93Å; V6-I9 HydrophobicContact CG2-CG1 4Å; I9-G19 CarbonylContact O-C 3.55Å; I9-G19 WeakPolarHBondContact O-CA 3.29Å; I9-I20 HydrophobicContact CB-CB 4.44Å; I9-I20 PolarHBondContact N-O 3.35Å; I9-I20 PolarHBondContact O-N 2.82Å; I9-I36 HydrophobicContact CG2-CD1 3.66Å; I9-I36 HydrophobicContact CG2-CG1 3.7Å; I9-R37 CarbonylContact C-O 3.56Å; I9-R37 WeakPolarHBondContact CA-O 3.35Å; I9-V62 HydrophobicContact CD1-CB 3.97Å; I9-V62 HydrophobicContact CD1-CG1 3.79Å; I9-V62 HydrophobicContact CD1-CG2 4.36Å
10Q93.2Very high88.1Confident61 Ų6169 Ų6929%0.28539%0.385SS..EExtended strand (participates in β ladder)trans-119.9132.4166.9-52.7-176.3-65.400108.8L18 I36 R37Q10-L18 CarbonylContact C-O 3.55Å; Q10-L18 VanDerWaalsContact CA-O 3.32Å; Q10-L18 WeakPolarHBondContact CA-O 3.48Å; Q10-I36 CarbonylContact O-C 3.59Å; Q10-I36 VanDerWaalsContact O-CA 3.28Å; Q10-I36 WeakPolarHBondContact O-CA 3.48Å; Q10-I36 WeakPolarHBondContact O-CG1 3.41Å; Q10-R37 HydrophobicContact CB-CB 4.21Å; Q10-R37 PolarHBondContact N-O 2.79Å; Q10-R37 PolarHBondContact O-N 3.12Å
11V92Very high88.3Confident0 Ų071.8 Ų71.80%039%0.391CS..EExtended strand (participates in β ladder)trans-143.7147.2-176.664.40000110.8G13 L18 I31 I36 L50 L55V11-G13 PolarHBondContact O-N 2.96Å; V11-L18 HydrophobicContact CG1-CB 4.14Å; V11-L18 HydrophobicContact CG1-CD2 4.36Å; V11-L18 PolarHBondContact N-O 3.38Å; V11-L18 PolarHBondContact O-N 2.64Å; V11-I31 HydrophobicContact CG2-CD1 4.1Å; V11-I31 HydrophobicContact CG2-CG1 4.04Å; V11-I31 HydrophobicContact CG2-CG2 3.8Å; V11-I36 HydrophobicContact CB-CG1 4.27Å; V11-I36 HydrophobicContact CG2-CB 4.48Å; V11-L50 HydrophobicContact CG2-CD1 4.38Å; V11-L55 HydrophobicContact CG1-CD2 3.91Å
12T89.2Confident89.4Confident23 Ų2365.8 Ų65.814%0.14137%0.369CS..EExtended strand (participates in β ladder)trans-79.798.7172.5-48.10000110.7G16 E17 I31 K32T12-G16 CarbonylContact C-O 3.59Å; T12-E17 WeakPolarHBondContact CB-OE1 3.39Å; T12-E17 WeakPolarHBondContact CG2-OE1 3.49Å; T12-E17 PolarHBondContact OG1-OE1 2.85Å; T12-I31 WeakPolarHBondContact O-CG2 3.19Å; T12-K32 HydrophobicContact CG2-CB 4.26Å; T12-K32 PolarHBondContact O-N 3.35Å
13G88.4Confident89.8Confident3 Ų366.6 Ų66.63%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-76.7-177.6172.700000113.5V11 E15 G16 A30V11-G13 PolarHBondContact O-N 2.96Å; G13-E15 VanDerWaalsContact C-N 3.31Å; G13-E15 PolarHBondContact O-N 3.38Å; G13-G16 WeakPolarHBondContact CA-O 3.45Å; G13-G16 PolarHBondContact N-O 3.07Å; G13-G16 PolarHBondContact O-N 2.95Å; G13-A30 CarbonylContact C-O 3.59Å
14S83.1Confident90.1Very high50 Ų5064.1 Ų64.135%0.3537%0.371SS..THydrogen-bonded Turntrans-61-36.2176.554.10000113.5A30 K32S14-A30 PolarHBondContact N-O 3.48Å; S14-K32 WeakPolarHBondContact O-CE 3.46Å; S14-K32 PolarHBondContact O-NZ 2.79Å
15E83.4Confident90.3Very high196 Ų19664.9 Ų64.992%0.91637%0.373SS*.THydrogen-bonded Turntrans-97.50.3-176.7-61-166.8124.900114.1G13G13-E15 VanDerWaalsContact C-N 3.31Å; G13-E15 PolarHBondContact O-N 3.38Å
16G87.4Confident90.5Very high34 Ų3462.9 Ų62.935%0.35137%0.368SS..EExtended strand (participates in β ladder)trans134.5-152.7-17900000112.4T12 G13T12-G16 CarbonylContact C-O 3.59Å; G13-G16 WeakPolarHBondContact CA-O 3.45Å; G13-G16 PolarHBondContact N-O 3.07Å; G13-G16 PolarHBondContact O-N 2.95Å
17E89.8Confident90.6Very high131 Ų13163.4 Ų63.461%0.61237%0.368SS*.EExtended strand (participates in β ladder)trans-78.9129.2-179.1-64.6-61.4129.900111.4T12T12-E17 WeakPolarHBondContact CB-OE1 3.39Å; T12-E17 WeakPolarHBondContact CG2-OE1 3.49Å; T12-E17 PolarHBondContact OG1-OE1 2.85Å
18L91.6Very high90.7Very high43 Ų4364.8 Ų64.823%0.22538%0.378CS..EExtended strand (participates in β ladder)trans-119.2125.4-179.1179.264.1000110Q10 V11 I20 L27 T29 L55Q10-L18 CarbonylContact C-O 3.55Å; Q10-L18 VanDerWaalsContact CA-O 3.32Å; Q10-L18 WeakPolarHBondContact CA-O 3.48Å; V11-L18 HydrophobicContact CG1-CB 4.14Å; V11-L18 HydrophobicContact CG1-CD2 4.36Å; V11-L18 PolarHBondContact N-O 3.38Å; V11-L18 PolarHBondContact O-N 2.64Å; L18-I20 HydrophobicContact CD1-CD1 4.08Å; L18-I20 HydrophobicContact CD2-CD1 3.85Å; L18-I20 HydrophobicContact CG-CD1 3.74Å; L18-I20 HydrophobicContact CG-CG1 4.39Å; L18-L27 HydrophobicContact CD1-CD2 4.41Å; L18-L27 HydrophobicContact CD2-CD2 3.7Å; L18-T29 HydrophobicContact CD2-CG2 3.94Å; L18-L55 HydrophobicContact CD2-CD2 3.72Å
19G92.8Very high90.8Very high29 Ų2963.3 Ų63.330%0.29937%0.374SS..EExtended strand (participates in β ladder)trans-105.7121173.600000111.5I9I9-G19 CarbonylContact O-C 3.55Å; I9-G19 WeakPolarHBondContact O-CA 3.29Å
20I92.3Very high90.7Very high5 Ų565.3 Ų65.33%0.02639%0.393CS..EExtended strand (participates in β ladder)trans-103.4121.8176.6-52.8-56.1000109.6K8 I9 L18 H24 L55 V57 V62K8-I20 WeakPolarHBondContact CA-O 2.99Å; I9-I20 HydrophobicContact CB-CB 4.44Å; I9-I20 PolarHBondContact N-O 3.35Å; I9-I20 PolarHBondContact O-N 2.82Å; L18-I20 HydrophobicContact CD1-CD1 4.08Å; L18-I20 HydrophobicContact CD2-CD1 3.85Å; L18-I20 HydrophobicContact CG-CD1 3.74Å; L18-I20 HydrophobicContact CG-CG1 4.39Å; I20-H24 HydrophobicContact CG2-CB 4.01Å; I20-L55 HydrophobicContact CD1-CD2 4.3Å; I20-L55 HydrophobicContact CG1-CD2 4.11Å; I20-V57 HydrophobicContact CD1-CG2 3.93Å; I20-V57 HydrophobicContact CG1-CG2 4.08Å; I20-V57 HydrophobicContact CG2-CG1 4.16Å; I20-V57 HydrophobicContact CG2-CG2 4.11Å; I20-V62 HydrophobicContact CG2-CG2 3.85Å
21Y92.6Very high90.6Very high128 Ų12863 Ų6350%0.50238%0.382SS..  trans-112163.8177.7-74.8-93.3000111.1K8 G23 H24K8-Y21 HydrophobicContact CB-CD1 4.09Å; K8-Y21 HydrophobicContact CB-CE1 4.05Å; K8-Y21 HydrophobicContact CD-CE1 3.74Å; Y21-G23 PolarHBondContact O-N 3.25Å; Y21-H24 WeakPolarHBondContact O-CB 3.43Å; Y21-H24 PolarHBondContact O-N 2.94Å; Y21-H24 VanDerWaalsContact O-N 3.13Å
22P89.3Confident90.4Very high105 Ų10568.2 Ų68.268%0.68241%0.405SS*.THydrogen-bonded Turntrans-59.3132.5176.4-21.935.4000110.5E7E7-P22 WeakPolarHBondContact O-CD 3.37Å; E7-P22 WeakPolarHBondContact O-CG 3.45Å
23G89.4Confident90.4Very high83 Ų8369.5 Ų69.586%0.85641%0.413SS*.THydrogen-bonded Turntrans82.411.5-176.800000115.1Y21Y21-G23 PolarHBondContact O-N 3.25Å
24H91.6Very high90.4Very high66 Ų6669.6 Ų69.631%0.30642%0.415SS..PPolyproline II helixtrans-57.5142.4171.7-167.2-77.5000111.2I20 Y21 V57I20-H24 HydrophobicContact CG2-CB 4.01Å; Y21-H24 WeakPolarHBondContact O-CB 3.43Å; Y21-H24 PolarHBondContact O-N 2.94Å; Y21-H24 VanDerWaalsContact O-N 3.13Å; H24-V57 HydrophobicContact CB-CG1 4.22Å
25A93.3Very high90.7Very high65 Ų6569 Ų6954%0.53741%0.407SS..PPolyproline II helixtrans-61.5151.3176.100000111.1L27A25-L27 PolarHBondContact O-N 2.79Å
26P93.9Very high91.1Very high85 Ų8559.9 Ų59.955%0.55237%0.365SS*.PPolyproline II helixtrans-54.8134176.9-25.434.5000111.8V57 P59P26-V57 CarbonylContact C-O 3.59Å; P26-V57 WeakPolarHBondContact CA-O 3.21Å; P26-P59 HydrophobicContact CG-CG 4.16Å
27L93.4Very high91.3Very high58 Ų5861.3 Ų61.330%0.30436%0.359SS..EExtended strand (participates in β ladder)trans-147.2134.7-175.9178.665.6000110.2L18 A25 T29 E56 V57L18-L27 HydrophobicContact CD1-CD2 4.41Å; L18-L27 HydrophobicContact CD2-CD2 3.7Å; A25-L27 PolarHBondContact O-N 2.79Å; L27-T29 HydrophobicContact CD2-CG2 4.21Å; L27-T29 HydrophobicContact CG-CG2 4.37Å; L27-E56 CarbonylContact O-C 3.55Å; L27-E56 WeakPolarHBondContact O-CA 3.23Å; L27-V57 HydrophobicContact CB-CB 4.16Å; L27-V57 HydrophobicContact CB-CG2 4.34Å; L27-V57 PolarHBondContact N-O 2.83Å; L27-V57 PolarHBondContact O-N 2.86Å
28L93.5Very high91.4Very high123 Ų12355.5 Ų55.564%0.64433%0.332SS*.EExtended strand (participates in β ladder)trans-120.9119.7168.9-173.169.2000108I54 L55 E56L28-I54 HydrophobicContact CD1-CG2 3.56Å; L28-I54 HydrophobicContact CG-CG2 4.33Å; L28-L55 WeakPolarHBondContact CA-O 3.44Å; L28-E56 HydrophobicContact CD1-CB 3.89Å; L28-E56 HydrophobicContact CD1-CG 4.11Å
29T93.1Very high91.4Very high29 Ų2953.8 Ų53.818%0.17832%0.323CS..EExtended strand (participates in β ladder)trans-144.5152.8-177.6-1710000112.3L18 L27 L55L18-T29 HydrophobicContact CD2-CG2 3.94Å; L27-T29 HydrophobicContact CD2-CG2 4.21Å; L27-T29 HydrophobicContact CG-CG2 4.37Å; T29-L55 HydrophobicContact CG2-CB 3.88Å; T29-L55 HydrophobicContact CG2-CD2 3.96Å; T29-L55 HydrophobicContact CG2-CG 4.5Å; T29-L55 PolarHBondContact N-O 2.88Å; T29-L55 PolarHBondContact O-N 3Å
30A92.4Very high91.2Very high55 Ų5555.5 Ų55.546%0.45532%0.323SS..EExtended strand (participates in β ladder)trans-79.4141.8173.200000110.5G13 S14G13-A30 CarbonylContact C-O 3.59Å; S14-A30 PolarHBondContact N-O 3.48Å
31I91.1Very high90.8Very high12 Ų1259.7 Ų59.76%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-101.2131.5177.1-60.8168.3000108.3V11 T12 L50 G52 G53 L55 V64V11-I31 HydrophobicContact CG2-CD1 4.1Å; V11-I31 HydrophobicContact CG2-CG1 4.04Å; V11-I31 HydrophobicContact CG2-CG2 3.8Å; T12-I31 WeakPolarHBondContact O-CG2 3.19Å; I31-L50 HydrophobicContact CD1-CD1 4.34Å; I31-L50 HydrophobicContact CG2-CD1 4.25Å; I31-G52 WeakPolarHBondContact O-CA 3.36Å; I31-G53 PolarHBondContact N-O 3.36Å; I31-G53 PolarHBondContact O-N 2.62Å; I31-L55 HydrophobicContact CD1-CB 3.83Å; I31-L55 HydrophobicContact CG1-CB 3.88Å; I31-V64 HydrophobicContact CD1-CG1 3.72Å
32K87.2Confident90.3Very high110 Ų11061.4 Ų61.448%0.47836%0.355SS..EExtended strand (participates in β ladder)trans-83.2156.6171.3-80.2178171.3169.60110.5T12 S14 G34T12-K32 HydrophobicContact CG2-CB 4.26Å; T12-K32 PolarHBondContact O-N 3.35Å; S14-K32 WeakPolarHBondContact O-CE 3.46Å; S14-K32 PolarHBondContact O-NZ 2.79Å; K32-G34 PolarHBondContact O-N 2.95Å; K32-G34 VanDerWaalsContact O-N 3.12Å
33P88Confident89.9Confident49 Ų4958.5 Ų58.532%0.31834%0.343SS..EExtended strand (participates in β ladder)trans-52.9122.7170.8-14.120.6000110L50 S51 K109P33-L50 CarbonylContact C-O 3.54Å; P33-L50 WeakPolarHBondContact CA-O 3.28Å; P33-S51 WeakPolarHBondContact CB-O 3.35Å; P33-S51 VanDerWaalsContact CG-O 3.24Å; P33-S51 WeakPolarHBondContact CG-O 3.43Å; P33-K109 HydrophobicContact CB-CG 3.98Å; P33-K109 HydrophobicContact CG-CG 4.29Å
34G88.9Confident89.7Confident6 Ų660.9 Ų60.96%0.06233%0.332CS..EExtended strand (participates in β ladder)trans178-163.7-164.800000112.7K32 Y49 L50K32-G34 PolarHBondContact O-N 2.95Å; K32-G34 VanDerWaalsContact O-N 3.12Å; G34-Y49 WeakPolarHBondContact O-CD2 3.49Å; G34-L50 PolarHBondContact N-O 2.65Å; G34-L50 PolarHBondContact O-N 2.84Å
35M89.3Confident89.6Confident36 Ų3661.3 Ų61.318%0.17733%0.334CS..EExtended strand (participates in β ladder)trans-107.6147.2179.762.1176.2-84.300110.7R37 F47 I48 V116 L119M35-R37 HydrophobicContact CE-CB 4.08Å; M35-F47 HydrophobicContact CE-CD1 3.6Å; M35-F47 HydrophobicContact CE-CE1 3.82Å; M35-I48 WeakPolarHBondContact CA-O 3.29Å; M35-V116 HydrophobicContact CB-CG2 3.47Å; M35-V116 VanDerWaalsContact CB-CG2 3.47Å; M35-L119 HydrophobicContact CE-CD1 3.61Å; M35-L119 HydrophobicContact SD-CD1 3.27Å; M35-L119 WeakPolarHBondContact SD-CD1 3.25Å
36I91.4Very high89.4Confident6 Ų659.5 Ų59.53%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-113.2126.6160.6-170.8173.7000108.4I9 Q10 V11 I38 I48 L50 V64I9-I36 HydrophobicContact CG2-CD1 3.66Å; I9-I36 HydrophobicContact CG2-CG1 3.7Å; Q10-I36 CarbonylContact O-C 3.59Å; Q10-I36 VanDerWaalsContact O-CA 3.28Å; Q10-I36 WeakPolarHBondContact O-CA 3.48Å; Q10-I36 WeakPolarHBondContact O-CG1 3.41Å; V11-I36 HydrophobicContact CB-CG1 4.27Å; V11-I36 HydrophobicContact CG2-CB 4.48Å; I36-I38 HydrophobicContact CD1-CG1 4.33Å; I36-I38 HydrophobicContact CG1-CG1 4.12Å; I36-I48 HydrophobicContact CG2-CB 3.6Å; I36-I48 HydrophobicContact CG2-CG1 4.45Å; I36-I48 HydrophobicContact CG2-CG2 4.3Å; I36-I48 WeakPolarHBondContact CG2-O 3.45Å; I36-I48 PolarHBondContact N-O 2.97Å; I36-I48 PolarHBondContact O-N 2.77Å; I36-L50 HydrophobicContact CB-CD1 3.78Å; I36-L50 HydrophobicContact CB-CG 4.25Å; I36-L50 HydrophobicContact CD1-CD1 4.3Å; I36-L50 HydrophobicContact CG2-CD1 3.77Å; I36-L50 HydrophobicContact CG2-CD2 4.11Å; I36-L50 HydrophobicContact CG2-CG 3.82Å; I36-V64 HydrophobicContact CD1-CG2 3.79Å
37R91.7Very high89.2Confident64 Ų6456.3 Ų56.324%0.24229%0.292CS..EExtended strand (participates in β ladder)trans-102.5119.4171.1-175.5-169.3-167.8-174.35108.1I9 Q10 M35 E45 F47I9-R37 CarbonylContact C-O 3.56Å; I9-R37 WeakPolarHBondContact CA-O 3.35Å; Q10-R37 HydrophobicContact CB-CB 4.21Å; Q10-R37 PolarHBondContact N-O 2.79Å; Q10-R37 PolarHBondContact O-N 3.12Å; M35-R37 HydrophobicContact CE-CB 4.08Å; R37-E45 VanDerWaalsContact CZ-CD 3.49Å; R37-E45 IonicContact CZ-OE1 3.66Å; R37-E45 IonicContact CZ-OE2 2.67Å; R37-E45 VanDerWaalsContact NE-CD 3.27Å; R37-E45 IonicContact NE-OE1 2.61Å; R37-E45 PolarHBondContact NE-OE1 3.32Å; R37-E45 IonicContact NE-OE2 2.83Å; R37-E45 PolarHBondContact NE-OE2 2.98Å; R37-E45 IonicContact NH2-OE1 3.96Å; R37-E45 PolarHBondContact NH2-OE1 3.01Å; R37-E45 IonicContact NH2-OE2 2.6Å; R37-E45 PolarHBondContact NH2-OE2 2.68Å; R37-F47 HydrophobicContact CB-CD1 4.13Å; R37-F47 HydrophobicContact CB-CE1 4.02Å; R37-F47 HydrophobicContact CG-CD1 4.01Å; R37-F47 HydrophobicContact CG-CE1 3.53Å; R37-F47 HydrophobicContact CG-CZ 4.04Å
38I91.9Very high89.1Confident9 Ų954.3 Ų54.35%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-108.3118.4178.8-57.7175.4000107.4F2 V6 I36 K40 E45 E46 I48F2-I38 HydrophobicContact CD1-CD1 3.89Å; F2-I38 HydrophobicContact CE1-CD1 4.27Å; F2-I38 HydrophobicContact CE1-CG2 4.01Å; F2-I38 HydrophobicContact CG-CD1 4.29Å; F2-I38 HydrophobicContact CZ-CG2 4.22Å; V6-I38 HydrophobicContact CB-CG2 4.14Å; V6-I38 HydrophobicContact CG1-CG2 3.35Å; I36-I38 HydrophobicContact CD1-CG1 4.33Å; I36-I38 HydrophobicContact CG1-CG1 4.12Å; I38-K40 HydrophobicContact CG2-CG 4.35Å; I38-E45 CarbonylContact O-C 3.43Å; I38-E45 WeakPolarHBondContact O-CA 3.3Å; I38-E46 PolarHBondContact N-O 2.88Å; I38-E46 PolarHBondContact O-N 2.9Å; I38-I48 HydrophobicContact CD1-CD1 3.88Å
39V92Very high89Confident6 Ų648.7 Ų48.74%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-97.7109.3171.7-1760000107.6V6 E7 K8 E45V6-V39 CarbonylContact C-O 3.58Å; V6-V39 WeakPolarHBondContact CA-O 3.35Å; E7-V39 HydrophobicContact CB-CG1 4.48Å; E7-V39 PolarHBondContact N-O 3.48Å; K8-V39 HydrophobicContact CD-CG2 4.27Å; K8-V39 VanDerWaalsContact CE-CG2 3.49Å; K8-V39 HydrophobicContact CG-CB 3.69Å; K8-V39 HydrophobicContact CG-CG1 4.43Å; K8-V39 HydrophobicContact CG-CG2 3.72Å; K8-V39 PolarHBondContact O-N 2.9Å; V39-E45 HydrophobicContact CG2-CG 4.19Å
40K89.3Confident88.9Confident65 Ų6547.6 Ų47.628%0.28325%0.245SC..EExtended strand (participates in β ladder)trans-78.3171.5177.4-58.2-177.7-170.8179.30110.3F2 I38 G43 H44 E46F2-K40 HydrophobicContact CE2-CD 4.18Å; F2-K40 HydrophobicContact CZ-CD 4.38Å; F2-K40 HydrophobicContact CZ-CG 4.31Å; I38-K40 HydrophobicContact CG2-CG 4.35Å; K40-G43 PolarHBondContact O-N 2.9Å; K40-H44 HydrophobicContact CB-CB 4.36Å; K40-H44 WeakPolarHBondContact CB-O 3.42Å; K40-H44 PolarHBondContact N-O 3.42Å; K40-E46 WeakPolarHBondContact CE-OE2 3.41Å; K40-E46 IonicContact NZ-OE2 2.64Å; K40-E46 PolarHBondContact NZ-OE2 3.13Å
41Q84.5Confident88.7Confident94 Ų9445.8 Ų45.844%0.43923%0.229SC..G310 helixtrans-53.7141.9168.1-61.2-177.2-32.900110.2L5 E7 G43L5-Q41 HydrophobicContact CB-CG 4.12Å; L5-Q41 VanDerWaalsContact CD1-NE2 3.29Å; E7-Q41 WeakPolarHBondContact OE1-CA 3.32Å; Q41-G43 VanDerWaalsContact C-N 3.32Å
42H81.5Confident88.6Confident164 Ų16445.6 Ų45.676%0.75923%0.229SC*.G310 helixtrans75.115.7-177.7-46.866.4000114.3E7 H44E7-H42 PolarHBondContact OE1-N 3.45Å; H42-H44 VanDerWaalsContact C-N 3.29Å; H42-H44 PolarHBondContact O-N 2.93Å
43G80.9Confident88.8Confident43 Ų4341.1 Ų41.144%0.44322%0.215SC..G310 helixtrans77.37.5173.300000115.3K40 Q41 E45K40-G43 PolarHBondContact O-N 2.9Å; Q41-G43 VanDerWaalsContact C-N 3.32Å; G43-E45 PolarHBondContact O-N 3.3Å
44H85.5Confident89.1Confident133 Ų13342.8 Ų42.862%0.61622%0.22SC*.  trans-69124.5174.6-70.3-65.9000111K40 H42K40-H44 HydrophobicContact CB-CB 4.36Å; K40-H44 WeakPolarHBondContact CB-O 3.42Å; K40-H44 PolarHBondContact N-O 3.42Å; H42-H44 VanDerWaalsContact C-N 3.29Å; H42-H44 PolarHBondContact O-N 2.93Å
45E88.9Confident89.3Confident75 Ų7542.5 Ų42.535%0.3522%0.217SC..EExtended strand (participates in β ladder)trans-101.2132.4-179.8-51.7-165.8157.900111.1R37 I38 V39 G43 F47R37-E45 VanDerWaalsContact CZ-CD 3.49Å; R37-E45 IonicContact CZ-OE1 3.66Å; R37-E45 IonicContact CZ-OE2 2.67Å; R37-E45 VanDerWaalsContact NE-CD 3.27Å; R37-E45 IonicContact NE-OE1 2.61Å; R37-E45 PolarHBondContact NE-OE1 3.32Å; R37-E45 IonicContact NE-OE2 2.83Å; R37-E45 PolarHBondContact NE-OE2 2.98Å; R37-E45 IonicContact NH2-OE1 3.96Å; R37-E45 PolarHBondContact NH2-OE1 3.01Å; R37-E45 IonicContact NH2-OE2 2.6Å; R37-E45 PolarHBondContact NH2-OE2 2.68Å; I38-E45 CarbonylContact O-C 3.43Å; I38-E45 WeakPolarHBondContact O-CA 3.3Å; V39-E45 HydrophobicContact CG2-CG 4.19Å; G43-E45 PolarHBondContact O-N 3.3Å; E45-F47 HydrophobicContact CB-CE2 4.05Å; E45-F47 HydrophobicContact CB-CZ 4.33Å
46E88.5Confident89.5Confident28 Ų2843.9 Ų43.913%0.13122%0.223CC..EExtended strand (participates in β ladder)trans-118.8131.7171.7-172.3173.5170.400109.3I38 K40 I48 R71I38-E46 PolarHBondContact N-O 2.88Å; I38-E46 PolarHBondContact O-N 2.9Å; K40-E46 WeakPolarHBondContact CE-OE2 3.41Å; K40-E46 IonicContact NZ-OE2 2.64Å; K40-E46 PolarHBondContact NZ-OE2 3.13Å; E46-I48 HydrophobicContact CG-CD1 4.41Å; E46-I48 HydrophobicContact CG-CG1 4.13Å; E46-R71 IonicContact OE1-CZ 3.74Å; E46-R71 IonicContact OE1-NE 2.96Å; E46-R71 PolarHBondContact OE1-NE 2.67Å; E46-R71 IonicContact OE1-NH2 3.94Å
47F90.3Very high89.7Confident18 Ų1843.8 Ų43.88%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-108.2127.6177.2-60.3-87.9000109.1M35 R37 E45 G72 V116 L119 A123M35-F47 HydrophobicContact CE-CD1 3.6Å; M35-F47 HydrophobicContact CE-CE1 3.82Å; R37-F47 HydrophobicContact CB-CD1 4.13Å; R37-F47 HydrophobicContact CB-CE1 4.02Å; R37-F47 HydrophobicContact CG-CD1 4.01Å; R37-F47 HydrophobicContact CG-CE1 3.53Å; R37-F47 HydrophobicContact CG-CZ 4.04Å; E45-F47 HydrophobicContact CB-CE2 4.05Å; E45-F47 HydrophobicContact CB-CZ 4.33Å; F47-G72 PolarHBondContact O-N 2.92Å; F47-V116 HydrophobicContact CB-CG1 4.35Å; F47-L119 HydrophobicContact CD1-CB 4.28Å; F47-L119 HydrophobicContact CE1-CB 4.28Å; F47-A123 HydrophobicContact CD2-CB 4.21Å; F47-A123 HydrophobicContact CE2-CB 3.51Å; F47-A123 HydrophobicContact CZ-CB 4.38Å
48I90.8Very high89.7Confident15 Ų1544.2 Ų44.28%0.07723%0.228CC..EExtended strand (participates in β ladder)trans-129.3134.8178.6-53.6177.3000107.6M35 I36 I38 E46 L50 A69 I70 R71M35-I48 WeakPolarHBondContact CA-O 3.29Å; I36-I48 HydrophobicContact CG2-CB 3.6Å; I36-I48 HydrophobicContact CG2-CG1 4.45Å; I36-I48 HydrophobicContact CG2-CG2 4.3Å; I36-I48 WeakPolarHBondContact CG2-O 3.45Å; I36-I48 PolarHBondContact N-O 2.97Å; I36-I48 PolarHBondContact O-N 2.77Å; I38-I48 HydrophobicContact CD1-CD1 3.88Å; E46-I48 HydrophobicContact CG-CD1 4.41Å; E46-I48 HydrophobicContact CG-CG1 4.13Å; I48-L50 HydrophobicContact CG2-CD2 4.14Å; I48-A69 HydrophobicContact CG2-CB 4.22Å; I48-I70 CarbonylContact C-O 3.58Å; I48-I70 WeakPolarHBondContact CG2-O 3.44Å; I48-R71 HydrophobicContact CG1-CG 4.36Å
49Y91.1Very high89.6Confident5 Ų548.9 Ų48.92%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-80.5132.1169.7171.9-103.3000109.8G34 A69 I70 K109 A112 Q113 V116G34-Y49 WeakPolarHBondContact O-CD2 3.49Å; Y49-A69 CarbonylContact O-C 3.59Å; Y49-A69 VanDerWaalsContact O-CA 3.29Å; Y49-A69 WeakPolarHBondContact O-CA 3.39Å; Y49-I70 HydrophobicContact CD1-CD1 4.4Å; Y49-I70 PolarHBondContact N-O 2.78Å; Y49-I70 PolarHBondContact O-N 3.02Å; Y49-K109 WeakPolarHBondContact OH-CB 3.44Å; Y49-A112 HydrophobicContact CD2-CB 4.25Å; Y49-A112 HydrophobicContact CE2-CB 3.7Å; Y49-Q113 HydrophobicContact CD1-CG 3.95Å; Y49-Q113 HydrophobicContact CD2-CB 4.49Å; Y49-Q113 HydrophobicContact CD2-CG 3.75Å; Y49-Q113 HydrophobicContact CE1-CG 3.77Å; Y49-Q113 HydrophobicContact CE2-CB 4.5Å; Y49-Q113 HydrophobicContact CE2-CG 3.57Å; Y49-Q113 HydrophobicContact CG-CG 3.93Å; Y49-V116 HydrophobicContact CD2-CG2 4.28Å
50L91.7Very high89.3Confident6 Ų652.7 Ų52.73%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-117.7130.7172.7-55.1-180000108.8V11 I31 P33 G34 I36 I48 G52 V64 A66 T68 A69V11-L50 HydrophobicContact CG2-CD1 4.38Å; I31-L50 HydrophobicContact CD1-CD1 4.34Å; I31-L50 HydrophobicContact CG2-CD1 4.25Å; P33-L50 CarbonylContact C-O 3.54Å; P33-L50 WeakPolarHBondContact CA-O 3.28Å; G34-L50 PolarHBondContact N-O 2.65Å; G34-L50 PolarHBondContact O-N 2.84Å; I36-L50 HydrophobicContact CB-CD1 3.78Å; I36-L50 HydrophobicContact CB-CG 4.25Å; I36-L50 HydrophobicContact CD1-CD1 4.3Å; I36-L50 HydrophobicContact CG2-CD1 3.77Å; I36-L50 HydrophobicContact CG2-CD2 4.11Å; I36-L50 HydrophobicContact CG2-CG 3.82Å; I48-L50 HydrophobicContact CG2-CD2 4.14Å; L50-G52 PolarHBondContact O-N 2.82Å; L50-V64 HydrophobicContact CD1-CG1 3.8Å; L50-A66 HydrophobicContact CB-CB 4.4Å; L50-A66 HydrophobicContact CD2-CB 3.8Å; L50-A66 HydrophobicContact CG-CB 4.5Å; L50-T68 WeakPolarHBondContact CA-O 3.44Å; L50-A69 HydrophobicContact CD2-CB 3.67Å
51S88.7Confident89.4Confident18 Ų1853.7 Ų53.713%0.12631%0.308CS..  trans-77.2-11.3176.8630000113.9P33 T68P33-S51 WeakPolarHBondContact CB-O 3.35Å; P33-S51 VanDerWaalsContact CG-O 3.24Å; P33-S51 WeakPolarHBondContact CG-O 3.43Å; S51-T68 PolarHBondContact N-O 3.36Å; S51-T68 VanDerWaalsContact OG-CB 3.29Å; S51-T68 WeakPolarHBondContact OG-CB 3.09Å; S51-T68 PolarHBondContact OG-N 3.13Å; S51-T68 VanDerWaalsContact OG-N 3.1Å
52G89.6Confident89.7Confident7 Ų751.7 Ų51.77%0.07230%0.302CS..SBendtrans139.8165.6-169.700000110.5I31 L50 A66 D67I31-G52 WeakPolarHBondContact O-CA 3.36Å; L50-G52 PolarHBondContact O-N 2.82Å; G52-A66 VanDerWaalsContact O-CA 3.23Å; G52-A66 WeakPolarHBondContact O-CA 3.48Å; G52-A66 WeakPolarHBondContact O-CB 3.21Å; G52-D67 PolarHBondContact O-N 2.83Å; G52-D67 VanDerWaalsContact O-N 3.09Å
53G91.5Very high90.3Very high17 Ų1746.5 Ų46.518%0.17528%0.282CS..EExtended strand (participates in β ladder)trans155.5-154.9-179.500000114.1I31 L65I31-G53 PolarHBondContact N-O 3.36Å; I31-G53 PolarHBondContact O-N 2.62Å; G53-L65 CarbonylContact C-O 3.58Å; G53-L65 WeakPolarHBondContact CA-O 3.33Å
54I93.3Very high90.8Very high84 Ų8446.7 Ų46.743%0.43127%0.274SS..EExtended strand (participates in β ladder)trans-127.9135.3179.3-58.7173.3000109.1L28 L65L28-I54 HydrophobicContact CD1-CG2 3.56Å; L28-I54 HydrophobicContact CG-CG2 4.33Å; I54-L65 PolarHBondContact N-O 2.85Å; I54-L65 PolarHBondContact O-N 2.86Å
55L93.3Very high91.1Very high0 Ų045.6 Ų45.60%027%0.272CS..EExtended strand (participates in β ladder)trans-102.3126.1167.9-177.477.1000108.6V11 L18 I20 L28 T29 I31 V57 V62 V64V11-L55 HydrophobicContact CG1-CD2 3.91Å; L18-L55 HydrophobicContact CD2-CD2 3.72Å; I20-L55 HydrophobicContact CD1-CD2 4.3Å; I20-L55 HydrophobicContact CG1-CD2 4.11Å; L28-L55 WeakPolarHBondContact CA-O 3.44Å; T29-L55 HydrophobicContact CG2-CB 3.88Å; T29-L55 HydrophobicContact CG2-CD2 3.96Å; T29-L55 HydrophobicContact CG2-CG 4.5Å; T29-L55 PolarHBondContact N-O 2.88Å; T29-L55 PolarHBondContact O-N 3Å; I31-L55 HydrophobicContact CD1-CB 3.83Å; I31-L55 HydrophobicContact CG1-CB 3.88Å; L55-V57 HydrophobicContact CD2-CG2 4Å; L55-V57 HydrophobicContact CG-CG2 4.15Å; L55-V62 HydrophobicContact CD1-CG1 3.66Å; L55-V64 HydrophobicContact CD1-CG2 3.46Å; L55-V64 VanDerWaalsContact CD1-CG2 3.46Å
56E94.2Very high91.2Very high65 Ų6543.6 Ų43.630%0.30427%0.269SS..EExtended strand (participates in β ladder)trans-115.2127.5168.1-173.3-173.1-16800109.3L27 L28 Q58 V62 T63L27-E56 CarbonylContact O-C 3.55Å; L27-E56 WeakPolarHBondContact O-CA 3.23Å; L28-E56 HydrophobicContact CD1-CB 3.89Å; L28-E56 HydrophobicContact CD1-CG 4.11Å; E56-Q58 HydrophobicContact CG-CG 4.1Å; E56-Q58 PolarHBondContact OE1-NE2 2.83Å; E56-V62 CarbonylContact O-C 3.57Å; E56-V62 WeakPolarHBondContact O-CA 3.44Å; E56-T63 PolarHBondContact N-O 2.81Å; E56-T63 PolarHBondContact O-N 2.99Å
57V94Very high91.2Very high3 Ų348.7 Ų48.72%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-114.9121173.4-179.30000106.9I20 H24 P26 L27 L55 V62I20-V57 HydrophobicContact CD1-CG2 3.93Å; I20-V57 HydrophobicContact CG1-CG2 4.08Å; I20-V57 HydrophobicContact CG2-CG1 4.16Å; I20-V57 HydrophobicContact CG2-CG2 4.11Å; H24-V57 HydrophobicContact CB-CG1 4.22Å; P26-V57 CarbonylContact C-O 3.59Å; P26-V57 WeakPolarHBondContact CA-O 3.21Å; L27-V57 HydrophobicContact CB-CB 4.16Å; L27-V57 HydrophobicContact CB-CG2 4.34Å; L27-V57 PolarHBondContact N-O 2.83Å; L27-V57 PolarHBondContact O-N 2.86Å; L55-V57 HydrophobicContact CD2-CG2 4Å; L55-V57 HydrophobicContact CG-CG2 4.15Å; V57-V62 HydrophobicContact CG1-CG2 4.26Å; V57-V62 HydrophobicContact CG2-CG1 4.27Å; V57-V62 HydrophobicContact CG2-CG2 4.35Å
58Q92.6Very high91.1Very high73 Ų7351 Ų5134%0.34131%0.313SS..EExtended strand (participates in β ladder)trans-119.1168.7170.7-53.8-77.127.100110E56 G60 N61E56-Q58 HydrophobicContact CG-CG 4.1Å; E56-Q58 PolarHBondContact OE1-NE2 2.83Å; Q58-G60 PolarHBondContact O-N 2.96Å; Q58-N61 WeakPolarHBondContact CB-OD1 3.09Å; Q58-N61 PolarHBondContact N-O 3.09Å; Q58-N61 PolarHBondContact O-N 3.1Å; Q58-N61 VanDerWaalsContact O-N 3.12Å
59P88.6Confident91.1Very high107 Ų10753.3 Ų53.370%0.69533%0.334SS*.THydrogen-bonded Turntrans-57108.6176.7-25.536.9000111.4P26P26-P59 HydrophobicContact CG-CG 4.16Å
60G85.8Confident91Very high87 Ų8755.6 Ų55.690%0.89735%0.346SS*.THydrogen-bonded Turntrans84.60.6177.500000116.1Q58Q58-G60 PolarHBondContact O-N 2.96Å
61N91.3Very high90.8Very high85 Ų8560.4 Ų60.446%0.45536%0.364SS..EExtended strand (participates in β ladder)trans-141.3154.917575.933.1000112.5Q58Q58-N61 WeakPolarHBondContact CB-OD1 3.09Å; Q58-N61 PolarHBondContact N-O 3.09Å; Q58-N61 PolarHBondContact O-N 3.1Å; Q58-N61 VanDerWaalsContact O-N 3.12Å
62V92.6Very high90.6Very high52 Ų5259.9 Ų59.932%0.31536%0.361SS..EExtended strand (participates in β ladder)trans-135.4126.8174.8-179.10000107.7I9 I20 L55 E56 V57I9-V62 HydrophobicContact CD1-CB 3.97Å; I9-V62 HydrophobicContact CD1-CG1 3.79Å; I9-V62 HydrophobicContact CD1-CG2 4.36Å; I20-V62 HydrophobicContact CG2-CG2 3.85Å; L55-V62 HydrophobicContact CD1-CG1 3.66Å; E56-V62 CarbonylContact O-C 3.57Å; E56-V62 WeakPolarHBondContact O-CA 3.44Å; V57-V62 HydrophobicContact CG1-CG2 4.26Å; V57-V62 HydrophobicContact CG2-CG1 4.27Å; V57-V62 HydrophobicContact CG2-CG2 4.35Å
63T93.2Very high90.3Very high55 Ų5566.4 Ų66.434%0.33739%0.389SS..EExtended strand (participates in β ladder)trans-118.2129.1179.6-55.60000109.2E56 L65E56-T63 PolarHBondContact N-O 2.81Å; E56-T63 PolarHBondContact O-N 2.99Å; T63-L65 HydrophobicContact CG2-CD2 4.19Å; T63-L65 HydrophobicContact CG2-CG 4.18Å
64V92Very high90Very high48 Ų4871 Ų7129%0.29141%0.41SS..EExtended strand (participates in β ladder)trans-114.7115.2174.3176.80000107.9I31 I36 L50 L55 A66I31-V64 HydrophobicContact CD1-CG1 3.72Å; I36-V64 HydrophobicContact CD1-CG2 3.79Å; L50-V64 HydrophobicContact CD1-CG1 3.8Å; L55-V64 HydrophobicContact CD1-CG2 3.46Å; L55-V64 VanDerWaalsContact CD1-CG2 3.46Å; V64-A66 HydrophobicContact CG1-CB 4.4Å
65L92.1Very high89.5Confident109 Ų10968.1 Ų68.157%0.57140%0.395SS*.EExtended strand (participates in β ladder)trans-103.498.8174-63174.6000107.7G53 I54 T63G53-L65 CarbonylContact C-O 3.58Å; G53-L65 WeakPolarHBondContact CA-O 3.33Å; I54-L65 PolarHBondContact N-O 2.85Å; I54-L65 PolarHBondContact O-N 2.86Å; T63-L65 HydrophobicContact CG2-CD2 4.19Å; T63-L65 HydrophobicContact CG2-CG 4.18Å
66A90.7Very high89.2Confident34 Ų3471.5 Ų71.528%0.28141%0.413SS..EExtended strand (participates in β ladder)trans-109.1143.3179.700000111.7L50 G52 V64 T68L50-A66 HydrophobicContact CB-CB 4.4Å; L50-A66 HydrophobicContact CD2-CB 3.8Å; L50-A66 HydrophobicContact CG-CB 4.5Å; G52-A66 VanDerWaalsContact O-CA 3.23Å; G52-A66 WeakPolarHBondContact O-CA 3.48Å; G52-A66 WeakPolarHBondContact O-CB 3.21Å; V64-A66 HydrophobicContact CG1-CB 4.4Å; A66-T68 VanDerWaalsContact C-N 3.3Å; A66-T68 PolarHBondContact O-N 2.95Å
67D88.2Confident88.8Confident135 Ų13572 Ų7272%0.72242%0.416SS*.SBendtrans-65.2-38.1176.3-60.5-41.4000111.2G52G52-D67 PolarHBondContact O-N 2.83Å; G52-D67 VanDerWaalsContact O-N 3.09Å
68T88Confident88.5Confident67 Ų6774.9 Ų74.941%0.41144%0.439SS..  trans-144.4132.8174.6-590000109.1L50 S51 A66 I70L50-T68 WeakPolarHBondContact CA-O 3.44Å; S51-T68 PolarHBondContact N-O 3.36Å; S51-T68 VanDerWaalsContact OG-CB 3.29Å; S51-T68 WeakPolarHBondContact OG-CB 3.09Å; S51-T68 PolarHBondContact OG-N 3.13Å; S51-T68 VanDerWaalsContact OG-N 3.1Å; A66-T68 VanDerWaalsContact C-N 3.3Å; A66-T68 PolarHBondContact O-N 2.95Å; T68-I70 HydrophobicContact CG2-CD1 4.14Å; T68-I70 HydrophobicContact CG2-CG1 3.97Å
69A90.2Very high88.1Confident63 Ų6380 Ų8052%0.52146%0.455SS..EExtended strand (participates in β ladder)trans-131.9119.217700000110I48 Y49 L50I48-A69 HydrophobicContact CG2-CB 4.22Å; Y49-A69 CarbonylContact O-C 3.59Å; Y49-A69 VanDerWaalsContact O-CA 3.29Å; Y49-A69 WeakPolarHBondContact O-CA 3.39Å; L50-A69 HydrophobicContact CD2-CB 3.67Å
70I88.9Confident88Confident52 Ų5274.9 Ų74.927%0.26742%0.423SS..EExtended strand (participates in β ladder)trans-124129-178.7-52.4172.9000108.3I48 Y49 T68 D74 L75I48-I70 CarbonylContact C-O 3.58Å; I48-I70 WeakPolarHBondContact CG2-O 3.44Å; Y49-I70 HydrophobicContact CD1-CD1 4.4Å; Y49-I70 PolarHBondContact N-O 2.78Å; Y49-I70 PolarHBondContact O-N 3.02Å; T68-I70 HydrophobicContact CG2-CD1 4.14Å; T68-I70 HydrophobicContact CG2-CG1 3.97Å; I70-D74 HydrophobicContact CG2-CB 4.08Å; I70-L75 HydrophobicContact CB-CG 4.35Å; I70-L75 HydrophobicContact CG2-CD1 4.35Å; I70-L75 HydrophobicContact CG2-CG 3.83Å
71R87.4Confident88.1Confident108 Ų10875.5 Ų75.541%0.40840%0.404SS..EExtended strand (participates in β ladder)trans-68147.1177.2-69-179.2163.1153.96.7110.4E46 I48 Q73 D74 L75E46-R71 IonicContact OE1-CZ 3.74Å; E46-R71 IonicContact OE1-NE 2.96Å; E46-R71 PolarHBondContact OE1-NE 2.67Å; E46-R71 IonicContact OE1-NH2 3.94Å; I48-R71 HydrophobicContact CG1-CG 4.36Å; R71-Q73 PolarHBondContact O-N 3.37Å; R71-Q73 VanDerWaalsContact O-N 3.07Å; R71-D74 PolarHBondContact O-N 3.33Å; R71-L75 PolarHBondContact O-N 3.41Å
72G84.2Confident88.1Confident6 Ų675.6 Ų75.66%0.06240%0.401CS..G310 helixtrans-47.7-37.6176.300000114.8F47 T120F47-G72 PolarHBondContact O-N 2.92Å; G72-T120 VanDerWaalsContact CA-OG1 3.3Å; G72-T120 WeakPolarHBondContact CA-OG1 3.31Å
73Q83.7Confident87.8Confident145 Ų14575.1 Ų75.168%0.67840%0.402SS*.G310 helixtrans-75.2-24.8-177.7-55.3-178500113.3R71 T120 M124R71-Q73 PolarHBondContact O-N 3.37Å; R71-Q73 VanDerWaalsContact O-N 3.07Å; Q73-T120 HydrophobicContact CG-CG2 4.01Å; Q73-M124 HydrophobicContact CG-CE 3.65Å
74D85.7Confident87.6Confident114 Ų11475.9 Ų75.961%0.6140%0.401SS*.G310 helixtrans-93.5-2.3-178.4-59.7-41.4000111.9I70 R71I70-D74 HydrophobicContact CG2-CB 4.08Å; R71-D74 PolarHBondContact O-N 3.33Å
75L83.2Confident87.5Confident22 Ų2279.3 Ų79.312%0.11541%0.409CS..  trans-80125.3178.3-85.4138.5000111.1I70 R71 E77 Q113 V116 I117I70-L75 HydrophobicContact CB-CG 4.35Å; I70-L75 HydrophobicContact CG2-CD1 4.35Å; I70-L75 HydrophobicContact CG2-CG 3.83Å; R71-L75 PolarHBondContact O-N 3.41Å; L75-E77 PolarHBondContact O-N 2.6Å; L75-Q113 HydrophobicContact CD2-CB 3.74Å; L75-Q113 HydrophobicContact CD2-CG 3.67Å; L75-V116 HydrophobicContact CD1-CB 4.13Å; L75-V116 HydrophobicContact CD1-CG1 3.61Å; L75-I117 HydrophobicContact CB-CD1 3.74Å; L75-I117 HydrophobicContact CB-CG1 3.43Å; L75-I117 VanDerWaalsContact CB-CG1 3.43Å; L75-I117 HydrophobicContact CD1-CG1 4.46Å; L75-I117 HydrophobicContact CD2-CD1 4.45Å; L75-I117 HydrophobicContact CG-CG1 4.35Å
76D86Confident87.3Confident72 Ų7278.5 Ų78.539%0.38540%0.401SS..  trans-86110175.2-176-25.5000110.1A78 R79 A80D76-A78 VanDerWaalsContact C-N 3.31Å; D76-A78 PolarHBondContact O-N 3.4Å; D76-A78 WeakPolarHBondContact OD1-CA 3.27Å; D76-A78 WeakPolarHBondContact OD1-CB 3.36Å; D76-A78 PolarHBondContact OD1-N 2.9Å; D76-R79 HydrophobicContact CB-CB 4.01Å; D76-R79 HydrophobicContact CB-CG 4.08Å; D76-R79 PolarHBondContact O-N 3.25Å; D76-R79 PolarHBondContact OD1-N 3.35Å; D76-R79 VanDerWaalsContact OD1-N 3.13Å; D76-R79 WeakPolarHBondContact OD2-CG 3.38Å; D76-R79 IonicContact OD2-NE 3.36Å; D76-A80 PolarHBondContact O-N 3.43Å
77E86.1Confident87.1Confident76 Ų7676.9 Ų76.936%0.35539%0.387SS..Hα-helixtrans-61.3-37.7179.6-168-179.2-146.400112.7L75 A80 M81 L114 I117 K121L75-E77 PolarHBondContact O-N 2.6Å; E77-A80 PolarHBondContact O-N 2.83Å; E77-M81 HydrophobicContact CG-CE 3.83Å; E77-M81 WeakPolarHBondContact O-CB 3.32Å; E77-M81 WeakPolarHBondContact O-CG 3.44Å; E77-M81 PolarHBondContact O-N 3.08Å; E77-L114 HydrophobicContact CG-CD2 4.25Å; E77-I117 HydrophobicContact CB-CD1 4.06Å; E77-I117 HydrophobicContact CB-CG2 4.13Å; E77-I117 HydrophobicContact CG-CD1 4.45Å; E77-I117 HydrophobicContact CG-CG2 4.14Å; E77-K121 IonicContact OE1-NZ 3.11Å; E77-K121 PolarHBondContact OE1-NZ 3.47Å; E77-K121 IonicContact OE2-NZ 3.63Å; E77-K121 PolarHBondContact OE2-NZ 3.34Å
78A87.1Confident87Confident62 Ų6274.7 Ų74.751%0.51237%0.373SS..Hα-helixtrans-66.2-42.9179.600000110.4D76 M81 E82D76-A78 VanDerWaalsContact C-N 3.31Å; D76-A78 PolarHBondContact O-N 3.4Å; D76-A78 WeakPolarHBondContact OD1-CA 3.27Å; D76-A78 WeakPolarHBondContact OD1-CB 3.36Å; D76-A78 PolarHBondContact OD1-N 2.9Å; A78-M81 PolarHBondContact O-N 3.24Å; A78-E82 WeakPolarHBondContact O-CB 3.4Å; A78-E82 PolarHBondContact O-N 3.5Å
79R86Confident86.9Confident180 Ų18075.6 Ų75.668%0.67937%0.372SS*.Hα-helixtrans-64.6-41.7174.6-73.2-177.9178.8165.52112.4D76 E82 A83D76-R79 HydrophobicContact CB-CB 4.01Å; D76-R79 HydrophobicContact CB-CG 4.08Å; D76-R79 PolarHBondContact O-N 3.25Å; D76-R79 PolarHBondContact OD1-N 3.35Å; D76-R79 VanDerWaalsContact OD1-N 3.13Å; D76-R79 WeakPolarHBondContact OD2-CG 3.38Å; D76-R79 IonicContact OD2-NE 3.36Å; R79-E82 PolarHBondContact O-N 3.19Å; R79-A83 VanDerWaalsContact O-CB 3.31Å; R79-A83 WeakPolarHBondContact O-CB 3.32Å; R79-A83 PolarHBondContact O-N 2.87Å
80A85.8Confident86.5Confident1 Ų177.7 Ų77.71%0.00837%0.371CS..Hα-helixtrans-65.7-38.6178.400000111.7D76 E77 K84 Q113 L114 I117D76-A80 PolarHBondContact O-N 3.43Å; E77-A80 PolarHBondContact O-N 2.83Å; A80-K84 WeakPolarHBondContact O-CB 3.24Å; A80-K84 PolarHBondContact O-N 3.35Å; A80-Q113 HydrophobicContact CB-CB 3.98Å; A80-L114 HydrophobicContact CB-CD2 3.62Å; A80-L114 HydrophobicContact CB-CG 3.84Å; A80-I117 HydrophobicContact CB-CD1 4.05Å
81M88.6Confident86.2Confident100 Ų10077.1 Ų77.149%0.49337%0.368SS..Hα-helixtrans-66.6-42.3173.5-77.2-166.8-8400112.4E77 A78 K84 R85 L114E77-M81 HydrophobicContact CG-CE 3.83Å; E77-M81 WeakPolarHBondContact O-CB 3.32Å; E77-M81 WeakPolarHBondContact O-CG 3.44Å; E77-M81 PolarHBondContact O-N 3.08Å; A78-M81 PolarHBondContact O-N 3.24Å; M81-K84 WeakPolarHBondContact O-CB 3.36Å; M81-K84 PolarHBondContact O-N 3.28Å; M81-R85 PolarHBondContact O-N 3.04Å; M81-L114 HydrophobicContact CG-CD1 4.39Å; M81-L114 HydrophobicContact CG-CD2 3.66Å
82E89.7Confident85.8Confident87 Ų8776.5 Ų76.541%0.40738%0.38SS..Hα-helixtrans-64.3-42.7176.6-169.2-171.5162.900111.3A78 R79 K84 R85 K86A78-E82 WeakPolarHBondContact O-CB 3.4Å; A78-E82 PolarHBondContact O-N 3.5Å; R79-E82 PolarHBondContact O-N 3.19Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-K84 PolarHBondContact O-N 2.93Å; E82-R85 PolarHBondContact O-N 3.37Å; E82-K86 HydrophobicContact CG-CD 4.47Å; E82-K86 WeakPolarHBondContact O-CG 3.43Å; E82-K86 PolarHBondContact O-N 3.44Å; E82-K86 WeakPolarHBondContact OE1-CE 3.35Å; E82-K86 IonicContact OE1-NZ 3.08Å; E82-K86 PolarHBondContact OE1-NZ 3.06Å
83A87.8Confident85.5Confident41 Ų4180 Ų8034%0.33940%0.404SS..Hα-helixtrans-61.1-42175.300000111.5R79 K86 A87 A110R79-A83 VanDerWaalsContact O-CB 3.31Å; R79-A83 WeakPolarHBondContact O-CB 3.32Å; R79-A83 PolarHBondContact O-N 2.87Å; A83-K86 PolarHBondContact O-N 3.1Å; A83-A87 WeakPolarHBondContact O-CB 3.48Å; A83-A87 PolarHBondContact O-N 2.89Å; A83-A110 HydrophobicContact CB-CB 4.05Å
84K89.1Confident84.8Confident72 Ų7274.6 Ų74.631%0.31338%0.382SS..Hα-helixtrans-58.7-50.9173.7-176.6-171.9168.2-172.40111.1A80 M81 E82 K86 A87 E88 L107 A110 L114A80-K84 WeakPolarHBondContact O-CB 3.24Å; A80-K84 PolarHBondContact O-N 3.35Å; M81-K84 WeakPolarHBondContact O-CB 3.36Å; M81-K84 PolarHBondContact O-N 3.28Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-K84 PolarHBondContact O-N 2.93Å; K84-K86 PolarHBondContact O-N 3.48Å; K84-A87 PolarHBondContact O-N 3.43Å; K84-E88 WeakPolarHBondContact CE-OE1 3.46Å; K84-E88 IonicContact NZ-OE1 3.73Å; K84-E88 WeakPolarHBondContact O-CG 3.43Å; K84-E88 PolarHBondContact O-N 3.36Å; K84-L107 HydrophobicContact CG-CD1 3.72Å; K84-A110 HydrophobicContact CB-CB 3.89Å; K84-L114 HydrophobicContact CB-CD1 4.23Å; K84-L114 HydrophobicContact CD-CD1 3.78Å
85R89.5Confident83.9Confident119 Ų11978.2 Ų78.245%0.44940%0.395SS..Hα-helixtrans-59.7-44.9-179.8-173.6-177.566.584.12.6111.6M81 E82 E88 E89M81-R85 PolarHBondContact O-N 3.04Å; E82-R85 PolarHBondContact O-N 3.37Å; R85-E88 PolarHBondContact O-N 2.97Å; R85-E89 IonicContact CZ-OE1 2.65Å; R85-E89 IonicContact CZ-OE2 2.82Å; R85-E89 IonicContact NH1-OE1 3.21Å; R85-E89 PolarHBondContact NH1-OE1 3.32Å; R85-E89 IonicContact NH1-OE2 2.62Å; R85-E89 PolarHBondContact NH1-OE2 3.02Å; R85-E89 VanDerWaalsContact NH1-OE2 3.08Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 2.79Å
86K87.8Confident83.1Confident93 Ų9378.7 Ų78.740%0.40441%0.406SS..Hα-helixtrans-60.6-47.6176.3-75.2177.6-178.8168.10111.2E82 A83 K84 E88 E89 H90E82-K86 HydrophobicContact CG-CD 4.47Å; E82-K86 WeakPolarHBondContact O-CG 3.43Å; E82-K86 PolarHBondContact O-N 3.44Å; E82-K86 WeakPolarHBondContact OE1-CE 3.35Å; E82-K86 IonicContact OE1-NZ 3.08Å; E82-K86 PolarHBondContact OE1-NZ 3.06Å; A83-K86 PolarHBondContact O-N 3.1Å; K84-K86 PolarHBondContact O-N 3.48Å; K86-E88 VanDerWaalsContact C-N 3.32Å; K86-E88 PolarHBondContact O-N 3.29Å; K86-E89 PolarHBondContact O-N 3.25Å; K86-H90 WeakPolarHBondContact O-CB 3.46Å; K86-H90 PolarHBondContact O-CD2 3.45Å; K86-H90 PolarHBondContact O-N 2.97Å
87A85.4Confident82.4Confident0 Ų082.5 Ų82.50%043%0.426CS..Hα-helixtrans-62.5-3917900000112.2A83 K84 H90 I91 E106 L107A83-A87 WeakPolarHBondContact O-CB 3.48Å; A83-A87 PolarHBondContact O-N 2.89Å; K84-A87 PolarHBondContact O-N 3.43Å; A87-H90 PolarHBondContact O-N 3.05Å; A87-I91 VanDerWaalsContact O-CG1 3.28Å; A87-I91 WeakPolarHBondContact O-CG1 3.48Å; A87-I91 PolarHBondContact O-N 3.12Å; A87-E106 HydrophobicContact CB-CB 4.02Å; A87-L107 HydrophobicContact CB-CB 3.77Å; A87-L107 HydrophobicContact CB-CD1 4.27Å
88E86.3Confident81.5Confident89 Ų8983.8 Ų83.842%0.41644%0.439SS..Hα-helixtrans-63.5-41.8173.7-72.6175.9161.900112.5K84 R85 K86 I91 S92 L107K84-E88 WeakPolarHBondContact CE-OE1 3.46Å; K84-E88 IonicContact NZ-OE1 3.73Å; K84-E88 WeakPolarHBondContact O-CG 3.43Å; K84-E88 PolarHBondContact O-N 3.36Å; R85-E88 PolarHBondContact O-N 2.97Å; K86-E88 VanDerWaalsContact C-N 3.32Å; K86-E88 PolarHBondContact O-N 3.29Å; E88-I91 PolarHBondContact O-N 3Å; E88-S92 PolarHBondContact O-N 2.87Å; E88-S92 PolarHBondContact O-OG 3.08Å; E88-L107 HydrophobicContact CG-CD1 3.76Å; E88-L107 HydrophobicContact CG-CD2 4.29Å
89E86.4Confident81Confident85 Ų8584.8 Ų84.840%0.39744%0.436SS..Hα-helixtrans-65.6-37.5175-74.8171.2-176.600112.3R85 K86 S92 S93R85-E89 IonicContact CZ-OE1 2.65Å; R85-E89 IonicContact CZ-OE2 2.82Å; R85-E89 IonicContact NH1-OE1 3.21Å; R85-E89 PolarHBondContact NH1-OE1 3.32Å; R85-E89 IonicContact NH1-OE2 2.62Å; R85-E89 PolarHBondContact NH1-OE2 3.02Å; R85-E89 VanDerWaalsContact NH1-OE2 3.08Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 2.79Å; K86-E89 PolarHBondContact O-N 3.25Å; E89-S92 PolarHBondContact O-N 2.78Å; E89-S92 PolarHBondContact O-OG 2.97Å; E89-S93 VanDerWaalsContact O-CB 3.29Å; E89-S93 WeakPolarHBondContact O-CB 3.39Å; E89-S93 PolarHBondContact O-N 2.85Å; E89-S93 PolarHBondContact O-OG 3.43Å
90H82.6Confident80.8Confident107 Ų10782.5 Ų82.550%0.49543%0.428SS..Hα-helixtrans-66.9-42.5174.8-80.4-123.8000110.9K86 A87 S92 S93 S94 A103K86-H90 WeakPolarHBondContact O-CB 3.46Å; K86-H90 PolarHBondContact O-CD2 3.45Å; K86-H90 PolarHBondContact O-N 2.97Å; A87-H90 PolarHBondContact O-N 3.05Å; H90-S92 VanDerWaalsContact C-N 3.34Å; H90-S92 PolarHBondContact O-N 2.61Å; H90-S93 CarbonylContact O-C 3.58Å; H90-S93 PolarHBondContact O-N 3.34Å; H90-S94 VanDerWaalsContact O-CB 3.27Å; H90-S94 WeakPolarHBondContact O-CB 3.46Å; H90-S94 PolarHBondContact O-N 3.45Å; H90-S94 PolarHBondContact O-OG 3.33Å; H90-A103 HydrophobicContact CB-CB 3.8Å
91I81.4Confident80.7Confident41 Ų4185.3 Ų85.321%0.2145%0.451CS..Hα-helixtrans-60.8-43.2175.9-70.8163.8000111A87 E88 S93 Y100 A103 L107A87-I91 VanDerWaalsContact O-CG1 3.28Å; A87-I91 WeakPolarHBondContact O-CG1 3.48Å; A87-I91 PolarHBondContact O-N 3.12Å; E88-I91 PolarHBondContact O-N 3Å; I91-S93 VanDerWaalsContact C-N 3.33Å; I91-S93 PolarHBondContact O-N 3.04Å; I91-Y100 HydrophobicContact CG2-CD2 4.04Å; I91-Y100 HydrophobicContact CG2-CE2 3.67Å; I91-A103 HydrophobicContact CD1-CB 4.49Å; I91-A103 HydrophobicContact CG1-CB 3.53Å; I91-L107 HydrophobicContact CD1-CB 4.02Å; I91-L107 HydrophobicContact CD1-CD2 3.48Å; I91-L107 VanDerWaalsContact CD1-CD2 3.48Å; I91-L107 HydrophobicContact CD1-CG 4.35Å
92S79.8Confident80.5Confident94 Ų9486.2 Ų86.266%0.65745%0.454SS*.Hα-helixtrans-71.9-27.3-179.466.30000113.4E88 E89 H90E88-S92 PolarHBondContact O-N 2.87Å; E88-S92 PolarHBondContact O-OG 3.08Å; E89-S92 PolarHBondContact O-N 2.78Å; E89-S92 PolarHBondContact O-OG 2.97Å; H90-S92 VanDerWaalsContact C-N 3.34Å; H90-S92 PolarHBondContact O-N 2.61Å
93S77.2Confident80.2Confident79 Ų7982.2 Ų82.255%0.55244%0.436SS*.Hα-helixtrans-97.3-3.2179.6-51.50000113.7E89 H90 I91 H95E89-S93 VanDerWaalsContact O-CB 3.29Å; E89-S93 WeakPolarHBondContact O-CB 3.39Å; E89-S93 PolarHBondContact O-N 2.85Å; E89-S93 PolarHBondContact O-OG 3.43Å; H90-S93 CarbonylContact O-C 3.58Å; H90-S93 PolarHBondContact O-N 3.34Å; I91-S93 VanDerWaalsContact C-N 3.33Å; I91-S93 PolarHBondContact O-N 3.04Å; S93-H95 PolarHBondContact O-CE1 2.93Å; S93-H95 PolarHBondContact O-N 3.25Å; S93-H95 PolarHBondContact O-ND1 2.92Å
94S70Confident80.1Confident33 Ų3382.7 Ų82.723%0.23144%0.437CS..  trans-74.1124.1-177.3-75.10000110.9H90 D99H90-S94 VanDerWaalsContact O-CB 3.27Å; H90-S94 WeakPolarHBondContact O-CB 3.46Å; H90-S94 PolarHBondContact O-N 3.45Å; H90-S94 PolarHBondContact O-OG 3.33Å; S94-D99 WeakPolarHBondContact OG-CB 3.48Å
95H65.9Low79.9Confident189 Ų18981.6 Ų81.688%0.87544%0.441SS*.  trans-106.222.3-178.6-70.373.7000112.8S93S93-H95 PolarHBondContact O-CE1 2.93Å; S93-H95 PolarHBondContact O-N 3.25Å; S93-H95 PolarHBondContact O-ND1 2.92Å
96G67.1Low79.8Confident33 Ų3381 Ų8134%0.3444%0.443SS..SBendtrans-164.4160.7178.400000113.8V98 D99 Y100G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.27Å; G96-D99 PolarHBondContact O-N 3.48Å; G96-Y100 PolarHBondContact O-N 3.39Å
97D70.3Confident79.7Confident151 Ų15178 Ų7881%0.80743%0.431SS*.Hα-helixtrans-63.1-33.9-174.2-67.3-31.6000113.4A101D97-A101 PolarHBondContact O-N 2.95Å; D97-A101 VanDerWaalsContact O-N 3.14Å
98V67.7Low79.8Confident103 Ų10380.4 Ų80.462%0.62445%0.452SS*.Hα-helixtrans-69.2-45.2-177.9179.70000111.2G96 Y100 A101 Q102G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.27Å; V98-Y100 VanDerWaalsContact C-N 3.31Å; V98-Y100 PolarHBondContact O-N 2.88Å; V98-A101 PolarHBondContact O-N 2.98Å; V98-Q102 PolarHBondContact O-N 3.49Å
99D77.8Confident79.8Confident84 Ų8480.4 Ų80.445%0.44945%0.45SS..Hα-helixtrans-65.7-38.4179.3-62.9-39.5000110.7S94 G96 A101 Q102 A103S94-D99 WeakPolarHBondContact OG-CB 3.48Å; G96-D99 PolarHBondContact O-N 3.48Å; D99-A101 PolarHBondContact O-N 3.33Å; D99-Q102 PolarHBondContact O-N 2.75Å; D99-A103 VanDerWaalsContact O-CB 3.25Å; D99-A103 WeakPolarHBondContact O-CB 3.33Å; D99-A103 PolarHBondContact O-N 2.91Å
100Y81.5Confident79.8Confident131 Ų13176.5 Ų76.551%0.51443%0.432SS..Hα-helixtrans-61.7-44.1176.3-174.4-91.2000112.2I91 G96 V98 Q102 A103 S104I91-Y100 HydrophobicContact CG2-CD2 4.04Å; I91-Y100 HydrophobicContact CG2-CE2 3.67Å; G96-Y100 PolarHBondContact O-N 3.39Å; V98-Y100 VanDerWaalsContact C-N 3.31Å; V98-Y100 PolarHBondContact O-N 2.88Å; Y100-Q102 PolarHBondContact O-N 3.25Å; Y100-A103 PolarHBondContact O-N 3.2Å; Y100-S104 WeakPolarHBondContact O-CB 3.31Å; Y100-S104 PolarHBondContact O-N 3.01Å
101A83.1Confident80.1Confident60 Ų6075.3 Ų75.350%0.49643%0.429SS..Hα-helixtrans-63.6-42.1179.300000112.1D97 V98 D99 A105D97-A101 PolarHBondContact O-N 2.95Å; D97-A101 VanDerWaalsContact O-N 3.14Å; V98-A101 PolarHBondContact O-N 2.98Å; D99-A101 PolarHBondContact O-N 3.33Å; A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 3.47Å; A101-A105 VanDerWaalsContact O-N 3.08Å
102Q83.7Confident80.4Confident120 Ų12074.1 Ų74.156%0.56143%0.425SS*.Hα-helixtrans-67.2-48.5177-70.5-174.4-25.300111.6V98 D99 Y100 S104 A105 E106V98-Q102 PolarHBondContact O-N 3.49Å; D99-Q102 PolarHBondContact O-N 2.75Å; Y100-Q102 PolarHBondContact O-N 3.25Å; Q102-S104 VanDerWaalsContact C-N 3.3Å; Q102-S104 PolarHBondContact O-N 2.91Å; Q102-A105 WeakPolarHBondContact O-CB 3.48Å; Q102-A105 PolarHBondContact O-N 3.37Å; Q102-A105 VanDerWaalsContact O-N 3.1Å; Q102-E106 PolarHBondContact O-N 2.93Å
103A84.7Confident80.7Confident3 Ų371.6 Ų71.63%0.02540%0.403CS..Hα-helixtrans-64.2-36.3-179.500000111.8H90 I91 D99 Y100 E106 L107H90-A103 HydrophobicContact CB-CB 3.8Å; I91-A103 HydrophobicContact CD1-CB 4.49Å; I91-A103 HydrophobicContact CG1-CB 3.53Å; D99-A103 VanDerWaalsContact O-CB 3.25Å; D99-A103 WeakPolarHBondContact O-CB 3.33Å; D99-A103 PolarHBondContact O-N 2.91Å; Y100-A103 PolarHBondContact O-N 3.2Å; A103-E106 PolarHBondContact O-N 3.08Å; A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 PolarHBondContact O-N 3.41Å
104S84.8Confident81.3Confident50 Ų5069.5 Ų69.535%0.3539%0.385SS..Hα-helixtrans-63.5-41.5171.9-176.80000112.5Y100 Q102 L107 A108Y100-S104 WeakPolarHBondContact O-CB 3.31Å; Y100-S104 PolarHBondContact O-N 3.01Å; Q102-S104 VanDerWaalsContact C-N 3.3Å; Q102-S104 PolarHBondContact O-N 2.91Å; S104-L107 PolarHBondContact O-N 3.21Å; S104-A108 WeakPolarHBondContact O-CB 3.43Å; S104-A108 PolarHBondContact O-N 3Å
105A85.6Confident82.1Confident50 Ų5073.5 Ų73.541%0.41340%0.395SS..Hα-helixtrans-66.4-39.6176.200000112.4A101 Q102 A108 K109A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 3.47Å; A101-A105 VanDerWaalsContact O-N 3.08Å; Q102-A105 WeakPolarHBondContact O-CB 3.48Å; Q102-A105 PolarHBondContact O-N 3.37Å; Q102-A105 VanDerWaalsContact O-N 3.1Å; A105-A108 PolarHBondContact O-N 2.86Å; A105-K109 WeakPolarHBondContact O-CG 3.36Å; A105-K109 PolarHBondContact O-N 3.41Å; A105-K109 VanDerWaalsContact O-N 3.08Å
106E85.9Confident83.1Confident105 Ų10564.5 Ų64.549%0.49135%0.354SS..Hα-helixtrans-65-42.3173.9-71.1-174.717000111.8A87 Q102 A103 A108 K109 A110A87-E106 HydrophobicContact CB-CB 4.02Å; Q102-E106 PolarHBondContact O-N 2.93Å; A103-E106 PolarHBondContact O-N 3.08Å; E106-A108 PolarHBondContact O-N 2.72Å; E106-K109 WeakPolarHBondContact O-CB 3.43Å; E106-K109 PolarHBondContact O-N 2.73Å; E106-A110 PolarHBondContact O-N 3.46Å
107L87.7Confident84.1Confident30 Ų3063.3 Ų63.316%0.15734%0.339CS..Hα-helixtrans-60.7-46.6175.6-179.359000111.1K84 A87 E88 I91 A103 S104 K109 A110 I111K84-L107 HydrophobicContact CG-CD1 3.72Å; A87-L107 HydrophobicContact CB-CB 3.77Å; A87-L107 HydrophobicContact CB-CD1 4.27Å; E88-L107 HydrophobicContact CG-CD1 3.76Å; E88-L107 HydrophobicContact CG-CD2 4.29Å; I91-L107 HydrophobicContact CD1-CB 4.02Å; I91-L107 HydrophobicContact CD1-CD2 3.48Å; I91-L107 VanDerWaalsContact CD1-CD2 3.48Å; I91-L107 HydrophobicContact CD1-CG 4.35Å; A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 PolarHBondContact O-N 3.41Å; S104-L107 PolarHBondContact O-N 3.21Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 2.95Å; L107-A110 PolarHBondContact O-N 3.36Å; L107-I111 HydrophobicContact CD1-CD1 3.9Å; L107-I111 HydrophobicContact CD1-CG1 4.12Å; L107-I111 HydrophobicContact CD2-CD1 4.41Å; L107-I111 HydrophobicContact CG-CD1 3.78Å; L107-I111 HydrophobicContact CG-CG1 4.4Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.41Å; L107-I111 PolarHBondContact O-N 2.88Å
108A86Confident84.9Confident51 Ų5161 Ų6142%0.42132%0.324SS..Hα-helixtrans-58.8-41.5177.200000111.8S104 A105 E106 A112S104-A108 WeakPolarHBondContact O-CB 3.43Å; S104-A108 PolarHBondContact O-N 3Å; A105-A108 PolarHBondContact O-N 2.86Å; E106-A108 PolarHBondContact O-N 2.72Å; A108-A112 WeakPolarHBondContact O-CB 3.42Å; A108-A112 PolarHBondContact O-N 3.4Å
109K86.2Confident85.7Confident90 Ų9057.8 Ų57.839%0.39130%0.303SS..Hα-helixtrans-62.4-47.5175-73.5175.9-176.3178.50111.7P33 Y49 A105 E106 L107 A112 Q113P33-K109 HydrophobicContact CB-CG 3.98Å; P33-K109 HydrophobicContact CG-CG 4.29Å; Y49-K109 WeakPolarHBondContact OH-CB 3.44Å; A105-K109 WeakPolarHBondContact O-CG 3.36Å; A105-K109 PolarHBondContact O-N 3.41Å; A105-K109 VanDerWaalsContact O-N 3.08Å; E106-K109 WeakPolarHBondContact O-CB 3.43Å; E106-K109 PolarHBondContact O-N 2.73Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 2.95Å; K109-A112 PolarHBondContact O-N 3.35Å; K109-Q113 WeakPolarHBondContact O-CG 3.5Å; K109-Q113 PolarHBondContact O-N 2.93Å
110A87.9Confident86Confident2 Ų254.4 Ų54.42%0.01729%0.285CS..Hα-helixtrans-64.1-41.8-179.200000112.2A83 K84 E106 L107 Q113 L114A83-A110 HydrophobicContact CB-CB 4.05Å; K84-A110 HydrophobicContact CB-CB 3.89Å; E106-A110 PolarHBondContact O-N 3.46Å; L107-A110 PolarHBondContact O-N 3.36Å; A110-Q113 PolarHBondContact O-N 2.93Å; A110-L114 WeakPolarHBondContact O-CG 3.4Å; A110-L114 PolarHBondContact O-N 3.47Å
111I88.4Confident86Confident83 Ų8353.3 Ų53.343%0.42628%0.283SS..Hα-helixtrans-62.2-44.7175.1-68.3170.1000110.7L107 Q113 L114 R115L107-I111 HydrophobicContact CD1-CD1 3.9Å; L107-I111 HydrophobicContact CD1-CG1 4.12Å; L107-I111 HydrophobicContact CD2-CD1 4.41Å; L107-I111 HydrophobicContact CG-CD1 3.78Å; L107-I111 HydrophobicContact CG-CG1 4.4Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.41Å; L107-I111 PolarHBondContact O-N 2.88Å; I111-Q113 VanDerWaalsContact C-N 3.33Å; I111-Q113 PolarHBondContact O-N 3.49Å; I111-L114 PolarHBondContact O-N 3.38Å; I111-R115 WeakPolarHBondContact O-CB 2.94Å; I111-R115 PolarHBondContact O-N 3.08Å
112A86.9Confident85.9Confident15 Ų1558.6 Ų58.612%0.12430%0.295CS..Hα-helixtrans-62.6-39.417800000112.2Y49 A108 K109 R115 V116Y49-A112 HydrophobicContact CD2-CB 4.25Å; Y49-A112 HydrophobicContact CE2-CB 3.7Å; A108-A112 WeakPolarHBondContact O-CB 3.42Å; A108-A112 PolarHBondContact O-N 3.4Å; K109-A112 PolarHBondContact O-N 3.35Å; A112-R115 PolarHBondContact O-N 3.38Å; A112-V116 VanDerWaalsContact O-CG2 3.32Å; A112-V116 WeakPolarHBondContact O-CG2 3.28Å; A112-V116 PolarHBondContact O-N 3.49Å
113Q87.4Confident85.4Confident41 Ų4155.8 Ų55.819%0.19229%0.292CS..Hα-helixtrans-61.2-49.4173.7-73.8-179-26.400112Y49 L75 A80 K109 A110 I111 R115 V116 I117Y49-Q113 HydrophobicContact CD1-CG 3.95Å; Y49-Q113 HydrophobicContact CD2-CB 4.49Å; Y49-Q113 HydrophobicContact CD2-CG 3.75Å; Y49-Q113 HydrophobicContact CE1-CG 3.77Å; Y49-Q113 HydrophobicContact CE2-CB 4.5Å; Y49-Q113 HydrophobicContact CE2-CG 3.57Å; Y49-Q113 HydrophobicContact CG-CG 3.93Å; L75-Q113 HydrophobicContact CD2-CB 3.74Å; L75-Q113 HydrophobicContact CD2-CG 3.67Å; A80-Q113 HydrophobicContact CB-CB 3.98Å; K109-Q113 WeakPolarHBondContact O-CG 3.5Å; K109-Q113 PolarHBondContact O-N 2.93Å; A110-Q113 PolarHBondContact O-N 2.93Å; I111-Q113 VanDerWaalsContact C-N 3.33Å; I111-Q113 PolarHBondContact O-N 3.49Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 2.88Å; Q113-V116 PolarHBondContact O-N 3.2Å; Q113-I117 WeakPolarHBondContact O-CG1 3.33Å; Q113-I117 PolarHBondContact O-N 2.72Å
114L88.5Confident84.4Confident36 Ų3663.9 Ų63.919%0.18833%0.331CS..Hα-helixtrans-59.2-39.8177.4-71.4171000111.7E77 A80 M81 K84 A110 I111 V116 I117 E118E77-L114 HydrophobicContact CG-CD2 4.25Å; A80-L114 HydrophobicContact CB-CD2 3.62Å; A80-L114 HydrophobicContact CB-CG 3.84Å; M81-L114 HydrophobicContact CG-CD1 4.39Å; M81-L114 HydrophobicContact CG-CD2 3.66Å; K84-L114 HydrophobicContact CB-CD1 4.23Å; K84-L114 HydrophobicContact CD-CD1 3.78Å; A110-L114 WeakPolarHBondContact O-CG 3.4Å; A110-L114 PolarHBondContact O-N 3.47Å; I111-L114 PolarHBondContact O-N 3.38Å; L114-V116 PolarHBondContact O-N 3.32Å; L114-I117 PolarHBondContact O-N 2.88Å; L114-E118 PolarHBondContact O-N 3.1Å
115R86.7Confident84.4Confident117 Ų11764.6 Ų64.644%0.44233%0.331SS..Hα-helixtrans-64.4-40.7177.9-172.756.9174.5170.31.2112.4I111 A112 Q113 I117 E118 L119I111-R115 WeakPolarHBondContact O-CB 2.94Å; I111-R115 PolarHBondContact O-N 3.08Å; A112-R115 PolarHBondContact O-N 3.38Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 2.88Å; R115-I117 VanDerWaalsContact C-N 3.34Å; R115-E118 IonicContact CZ-OE2 3.86Å; R115-E118 IonicContact NH1-OE1 3.04Å; R115-E118 PolarHBondContact NH1-OE1 3.05Å; R115-E118 IonicContact NH1-OE2 2.75Å; R115-E118 PolarHBondContact NH1-OE2 3.38Å; R115-E118 PolarHBondContact O-N 3.46Å; R115-L119 HydrophobicContact CG-CD1 4.22Å; R115-L119 WeakPolarHBondContact O-CG 3.35Å; R115-L119 PolarHBondContact O-N 2.75Å; R115-L119 VanDerWaalsContact O-N 3.1Å
116V86.7Confident84.4Confident0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-63.2-42.4175.3173.90000110.8M35 F47 Y49 L75 A112 Q113 L114 L119 T120M35-V116 HydrophobicContact CB-CG2 3.47Å; M35-V116 VanDerWaalsContact CB-CG2 3.47Å; F47-V116 HydrophobicContact CB-CG1 4.35Å; Y49-V116 HydrophobicContact CD2-CG2 4.28Å; L75-V116 HydrophobicContact CD1-CB 4.13Å; L75-V116 HydrophobicContact CD1-CG1 3.61Å; A112-V116 VanDerWaalsContact O-CG2 3.32Å; A112-V116 WeakPolarHBondContact O-CG2 3.28Å; A112-V116 PolarHBondContact O-N 3.49Å; Q113-V116 PolarHBondContact O-N 3.2Å; L114-V116 PolarHBondContact O-N 3.32Å; V116-L119 PolarHBondContact O-N 2.87Å; V116-T120 WeakPolarHBondContact O-CB 3.15Å; V116-T120 PolarHBondContact O-N 3.35Å; V116-T120 PolarHBondContact O-OG1 3.44Å
117I88.3Confident84.3Confident7 Ų763.1 Ų63.14%0.03632%0.317CS..Hα-helixtrans-61.6-48.8177.7-66.9160.6000110.8L75 E77 A80 Q113 L114 R115 L119 T120 K121L75-I117 HydrophobicContact CB-CD1 3.74Å; L75-I117 HydrophobicContact CB-CG1 3.43Å; L75-I117 VanDerWaalsContact CB-CG1 3.43Å; L75-I117 HydrophobicContact CD1-CG1 4.46Å; L75-I117 HydrophobicContact CD2-CD1 4.45Å; L75-I117 HydrophobicContact CG-CG1 4.35Å; E77-I117 HydrophobicContact CB-CD1 4.06Å; E77-I117 HydrophobicContact CB-CG2 4.13Å; E77-I117 HydrophobicContact CG-CD1 4.45Å; E77-I117 HydrophobicContact CG-CG2 4.14Å; A80-I117 HydrophobicContact CB-CD1 4.05Å; Q113-I117 WeakPolarHBondContact O-CG1 3.33Å; Q113-I117 PolarHBondContact O-N 2.72Å; L114-I117 PolarHBondContact O-N 2.88Å; R115-I117 VanDerWaalsContact C-N 3.34Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 2.96Å; I117-T120 PolarHBondContact O-N 3.4Å; I117-K121 HydrophobicContact CG2-CD 4.25Å; I117-K121 WeakPolarHBondContact O-CG 3.19Å; I117-K121 PolarHBondContact O-N 2.58Å
118E87.6Confident84.1Confident103 Ų10365.1 Ų65.148%0.48133%0.326SS..Hα-helixtrans-57.5-45.7179-170.5-162.9154.100111.6L114 R115 K121 K122L114-E118 PolarHBondContact O-N 3.1Å; R115-E118 IonicContact CZ-OE2 3.86Å; R115-E118 IonicContact NH1-OE1 3.04Å; R115-E118 PolarHBondContact NH1-OE1 3.05Å; R115-E118 IonicContact NH1-OE2 2.75Å; R115-E118 PolarHBondContact NH1-OE2 3.38Å; R115-E118 PolarHBondContact O-N 3.46Å; E118-K121 PolarHBondContact O-N 3.26Å; E118-K122 PolarHBondContact O-N 3.01Å; E118-K122 VanDerWaalsContact O-N 3.08Å
119L84.7Confident84Confident36 Ų3665.9 Ų65.919%0.18832%0.32CS..Hα-helixtrans-69.5-37.1179.1-70.1172000112.5M35 F47 R115 V116 I117 K122 A123M35-L119 HydrophobicContact CE-CD1 3.61Å; M35-L119 HydrophobicContact SD-CD1 3.27Å; M35-L119 WeakPolarHBondContact SD-CD1 3.25Å; F47-L119 HydrophobicContact CD1-CB 4.28Å; F47-L119 HydrophobicContact CE1-CB 4.28Å; R115-L119 HydrophobicContact CG-CD1 4.22Å; R115-L119 WeakPolarHBondContact O-CG 3.35Å; R115-L119 PolarHBondContact O-N 2.75Å; R115-L119 VanDerWaalsContact O-N 3.1Å; V116-L119 PolarHBondContact O-N 2.87Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 2.96Å; L119-K122 PolarHBondContact O-N 3.44Å; L119-A123 WeakPolarHBondContact O-CB 3.29Å; L119-A123 PolarHBondContact O-N 3.14Å
120T82.7Confident83.8Confident12 Ų1264.3 Ų64.37%0.07432%0.316CS..Hα-helixtrans-64.2-43175.9-54.50000110.8G72 Q73 V116 I117 K122 A123 M124G72-T120 VanDerWaalsContact CA-OG1 3.3Å; G72-T120 WeakPolarHBondContact CA-OG1 3.31Å; Q73-T120 HydrophobicContact CG-CG2 4.01Å; V116-T120 WeakPolarHBondContact O-CB 3.15Å; V116-T120 PolarHBondContact O-N 3.35Å; V116-T120 PolarHBondContact O-OG1 3.44Å; I117-T120 PolarHBondContact O-N 3.4Å; T120-K122 VanDerWaalsContact C-N 3.3Å; T120-K122 PolarHBondContact O-N 3.47Å; T120-A123 PolarHBondContact O-N 3.5Å; T120-M124 HydrophobicContact CG2-CE 4.22Å; T120-M124 WeakPolarHBondContact O-CG 3.27Å; T120-M124 PolarHBondContact O-N 3.3Å
121K83.3Confident83.5Confident108 Ų10868.8 Ų68.847%0.4734%0.337SS..Hα-helixtrans-63.2-34.1174.8-73.3179.1179.1-178.80112.9E77 I117 E118E77-K121 IonicContact OE1-NZ 3.11Å; E77-K121 PolarHBondContact OE1-NZ 3.47Å; E77-K121 IonicContact OE2-NZ 3.63Å; E77-K121 PolarHBondContact OE2-NZ 3.34Å; I117-K121 HydrophobicContact CG2-CD 4.25Å; I117-K121 WeakPolarHBondContact O-CG 3.19Å; I117-K121 PolarHBondContact O-N 2.58Å; E118-K121 PolarHBondContact O-N 3.26Å
122K80.7Confident83.1Confident171 Ų17167.7 Ų67.774%0.74333%0.33SS*.Hα-helixtrans-77.3-25.2179-172.1175.9179.2-179.50113.3E118 L119 T120E118-K122 PolarHBondContact O-N 3.01Å; E118-K122 VanDerWaalsContact O-N 3.08Å; L119-K122 PolarHBondContact O-N 3.44Å; T120-K122 VanDerWaalsContact C-N 3.3Å; T120-K122 PolarHBondContact O-N 3.47Å
123A73.1Confident82.8Confident61 Ų6172.1 Ų72.150%0.50435%0.348SS..Hα-helixtrans-87.1-9.8178.400000113.6F47 L119 T120F47-A123 HydrophobicContact CD2-CB 4.21Å; F47-A123 HydrophobicContact CE2-CB 3.51Å; F47-A123 HydrophobicContact CZ-CB 4.38Å; L119-A123 WeakPolarHBondContact O-CB 3.29Å; L119-A123 PolarHBondContact O-N 3.14Å; T120-A123 PolarHBondContact O-N 3.5Å
124M64.2Low82.4Confident173 Ų17374.9 Ų74.985%0.85236%0.362SS*.  trans-85.70167.9-70.8179.2170.200110.6Q73 T120Q73-M124 HydrophobicContact CG-CE 3.65Å; T120-M124 HydrophobicContact CG2-CE 4.22Å; T120-M124 WeakPolarHBondContact O-CG 3.27Å; T120-M124 PolarHBondContact O-N 3.3Å

Retrieved 124 of 124 residues in 55 ms (Link to these results)

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