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Thioredoxin peroxidase

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB , UniProt , Accession Q9Y0D3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene TPx-2, Length 194 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
1M83.6Confident96.1Very high164 Ų16472.8 Ų72.881%0.80840%0.399SS*.  0111.50-171.9172.564.400108.3L3 E112M1-L3 HydrophobicContact CE-CD1 4.08Å; M1-L3 HydrophobicContact CE-CD2 3.95Å; M1-L3 HydrophobicContact CE-CG 4.17Å; M1-E112 VanDerWaalsContact CA-CD 3.49Å; M1-E112 WeakPolarHBondContact CA-OE1 3.49Å; M1-E112 WeakPolarHBondContact CA-OE2 3.42Å; M1-E112 PolarHBondContact N-OE1 3.2Å
2L93.8Very high96.3Very high25 Ų2579.3 Ų79.313%0.13143%0.425CS..  trans-71131.1174.7-112.9120.8000110.9P9 A110 E112 L134 I137L2-P9 HydrophobicContact CD1-CG 3.83Å; L2-P9 HydrophobicContact CD2-CG 4.21Å; L2-P9 HydrophobicContact CG-CG 4.41Å; L2-A110 WeakPolarHBondContact CD1-O 3.43Å; L2-E112 HydrophobicContact CD1-CG 4.01Å; L2-E112 PolarHBondContact N-OE1 2.88Å; L2-E112 PolarHBondContact N-OE2 3.03Å; L2-L134 HydrophobicContact CD2-CD2 3.16Å; L2-L134 HydrophobicContact CG-CD2 4.48Å; L2-I137 HydrophobicContact CB-CD1 4.25Å
3L96Very high96.4Very high76 Ų7674.5 Ų74.540%0.39841%0.405SS..  trans-128.7147.8178.3-69.9175.5000110.9M1M1-L3 HydrophobicContact CE-CD1 4.08Å; M1-L3 HydrophobicContact CE-CD2 3.95Å; M1-L3 HydrophobicContact CE-CG 4.17Å
4P97.4Very high96.6Very high68 Ų6873.4 Ų73.444%0.44240%0.403SS..THydrogen-bonded Turntrans-53.9155.2166.4-25.635.4000112.2Q6 L134P4-Q6 VanDerWaalsContact C-N 3.27Å; P4-Q6 PolarHBondContact O-N 3.15Å; P4-L134 CarbonylContact C-O 3.57Å; P4-L134 WeakPolarHBondContact CA-O 3.28Å
5N97.2Very high96.7Very high120 Ų12068.5 Ų68.564%0.64238%0.376SS*.THydrogen-bonded Turntrans68.717.8-176.2-159.446.9000115.2L134 R135N5-L134 PolarHBondContact N-O 3.39Å; N5-R135 PolarHBondContact OD1-NH1 2.81Å
6Q97.6Very high96.9Very high86 Ų8664.4 Ų64.440%0.40235%0.354SS..SBendtrans-111155.2168.1-62-178-8.600110.1P4 A8 I133 L134P4-Q6 VanDerWaalsContact C-N 3.27Å; P4-Q6 PolarHBondContact O-N 3.15Å; Q6-A8 PolarHBondContact O-N 2.91Å; Q6-I133 WeakPolarHBondContact O-CG2 3.14Å; Q6-L134 PolarHBondContact O-N 2.89Å
7P98Very high96.9Very high99 Ų9963.9 Ų63.964%0.64335%0.349SS*.BIsolated β-bridgetrans-52.6132.8168.5-24.134.6000110.4I133P7-I133 HydrophobicContact CB-CD1 4.46Å; P7-I133 HydrophobicContact CG-CD1 4.16Å
8A98.6Very high96.8Very high10 Ų1062.8 Ų62.88%0.08336%0.355CS..PPolyproline II helixtrans-65.2140.5171.800000109.2Q6 D10 L26 I128 G132 L134Q6-A8 PolarHBondContact O-N 2.91Å; A8-D10 PolarHBondContact O-N 2.87Å; A8-L26 HydrophobicContact CB-CD2 4Å; A8-I128 HydrophobicContact CB-CB 4.47Å; A8-I128 HydrophobicContact CB-CD1 3.69Å; A8-I128 HydrophobicContact CB-CG1 3.8Å; A8-I128 HydrophobicContact CB-CG2 3.83Å; A8-G132 PolarHBondContact N-O 3.36Å; A8-L134 HydrophobicContact CB-CB 4.34Å
9P98.4Very high96.6Very high32 Ų3265.6 Ų65.621%0.20837%0.374CS..PPolyproline II helixtrans-54129172.8-21.428.5000110.2L2 A110 Y111L2-P9 HydrophobicContact CD1-CG 3.83Å; L2-P9 HydrophobicContact CD2-CG 4.21Å; L2-P9 HydrophobicContact CG-CG 4.41Å; P9-A110 HydrophobicContact CB-CB 3.97Å; P9-A110 WeakPolarHBondContact CG-O 3.5Å; P9-Y111 HydrophobicContact CB-CD2 4.23Å; P9-Y111 HydrophobicContact CB-CE2 3.94Å; P9-Y111 HydrophobicContact CG-CD2 4.28Å; P9-Y111 HydrophobicContact CG-CE2 4.23Å; P9-Y111 WeakPolarHBondContact O-CE2 3.45Å; P9-Y111 PolarHBondContact O-OH 3.42Å
10D98Very high96.6Very high113 Ų11367.2 Ų67.260%0.60438%0.378SS*.PPolyproline II helixtrans-66.5151.4177.2-163.315.7000110.3A8 L26A8-D10 PolarHBondContact O-N 2.87Å; D10-L26 WeakPolarHBondContact OD1-CB 3.42Å
11F98.5Very high96.7Very high8 Ų867.4 Ų67.44%0.03538%0.378CS..  trans-143.7151.717566.2-104.3000111.1S25 L26 L36 I69 L100 I107 Y111F11-S25 CarbonylContact O-C 3.44Å; F11-S25 WeakPolarHBondContact O-CA 3.42Å; F11-S25 WeakPolarHBondContact O-CB 3.48Å; F11-L26 HydrophobicContact CD1-CB 3.78Å; F11-L26 HydrophobicContact CD1-CD2 4.35Å; F11-L26 HydrophobicContact CD1-CG 4.47Å; F11-L26 HydrophobicContact CD2-CB 4.43Å; F11-L26 HydrophobicContact CE1-CB 3.61Å; F11-L26 HydrophobicContact CE1-CD1 3.82Å; F11-L26 HydrophobicContact CE1-CD2 4.25Å; F11-L26 HydrophobicContact CE1-CG 4.08Å; F11-L26 HydrophobicContact CE2-CB 4.26Å; F11-L26 HydrophobicContact CG-CB 4.19Å; F11-L26 HydrophobicContact CZ-CB 3.86Å; F11-L26 HydrophobicContact CZ-CD1 4.12Å; F11-L26 PolarHBondContact O-N 2.8Å; F11-L36 HydrophobicContact CD1-CD2 4.16Å; F11-L36 HydrophobicContact CE1-CD1 4.31Å; F11-L36 HydrophobicContact CE1-CD2 3.83Å; F11-L36 HydrophobicContact CZ-CD1 4.35Å; F11-I69 HydrophobicContact CZ-CD1 4.03Å; F11-L100 HydrophobicContact CD2-CD2 3.7Å; F11-L100 HydrophobicContact CE2-CD2 3.69Å; F11-L100 HydrophobicContact CZ-CD2 4.47Å; F11-I107 HydrophobicContact CB-CD1 4.03Å; F11-I107 HydrophobicContact CB-CG1 4Å; F11-I107 HydrophobicContact CB-CG2 3.88Å; F11-I107 HydrophobicContact CG-CG2 4.29Å; F11-Y111 HydrophobicContact CD1-CE2 4.02Å
12E98.2Very high97.4Very high150 Ų15065.2 Ų65.270%0.70136%0.361SS*.EExtended strand (participates in β ladder)trans-141.7141.2168.8-175.7-176.8171.200108.3I24E12-I24 CarbonylContact C-O 3.5Å; E12-I24 WeakPolarHBondContact CA-O 3.38Å
13G98.3Very high97.6Very high17 Ų1768.6 Ų68.618%0.17538%0.384CS..EExtended strand (participates in β ladder)trans-173.7179.717500000112.1P23 I24G13-P23 CarbonylContact O-C 3.54Å; G13-P23 WeakPolarHBondContact O-CA 3.36Å; G13-I24 PolarHBondContact N-O 3.3Å; G13-I24 PolarHBondContact O-N 3.25Å; G13-I24 VanDerWaalsContact O-O 3.11Å
14T98.8Very high97.8Very high60 Ų6065.2 Ų65.237%0.36837%0.366SS..EExtended strand (participates in β ladder)trans-93.3133.6174.8-48.90000109.6L21 V76 S101T14-L21 HydrophobicContact CG2-CB 4.01Å; T14-V76 HydrophobicContact CG2-CG1 3.84Å; T14-V76 VanDerWaalsContact O-CG1 3.26Å; T14-V76 WeakPolarHBondContact O-CG1 3.45Å; T14-S101 PolarHBondContact O-N 3.37Å
15A98.8Very high97.8Very high0 Ų063 Ų630%035%0.353CS..EExtended strand (participates in β ladder)trans-119.2152.9174.400000111.9I17 L21 R22 I24 P98 L99 L100A15-I17 HydrophobicContact CB-CG1 4.39Å; A15-L21 WeakPolarHBondContact O-CA 3.5Å; A15-R22 PolarHBondContact N-O 3.36Å; A15-R22 PolarHBondContact O-N 3.28Å; A15-I24 HydrophobicContact CB-CD1 3.52Å; A15-I24 HydrophobicContact CB-CG1 3.73Å; A15-I24 HydrophobicContact CB-CG2 4.42Å; A15-P98 HydrophobicContact CB-CB 4.07Å; A15-L99 CarbonylContact C-O 3.55Å; A15-L99 WeakPolarHBondContact CA-O 3.4Å; A15-L99 WeakPolarHBondContact CB-O 3.33Å; A15-L100 HydrophobicContact CB-CB 4.36Å; A15-L100 HydrophobicContact CB-CD1 4.39Å
16V98.7Very high97.9Very high3 Ų357.9 Ų57.92%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-82.1121.7163.6-177.80000108.2E20 L21 V76 H79 L80 P98 L99V16-E20 WeakPolarHBondContact CA-O 3.27Å; V16-L21 HydrophobicContact CG2-CD2 3.76Å; V16-V76 HydrophobicContact CG2-CB 4.36Å; V16-V76 WeakPolarHBondContact CG2-O 3.45Å; V16-H79 HydrophobicContact CB-CB 4.4Å; V16-H79 HydrophobicContact CG2-CB 3.59Å; V16-L80 HydrophobicContact CG1-CD1 4.12Å; V16-L80 HydrophobicContact CG2-CB 4.11Å; V16-P98 WeakPolarHBondContact O-CA 3.44Å; V16-L99 HydrophobicContact CB-CB 4.33Å; V16-L99 PolarHBondContact N-O 2.9Å; V16-L99 PolarHBondContact O-N 3Å
17I97.9Very high97.8Very high55 Ų5556.9 Ų56.928%0.28233%0.328SS..EExtended strand (participates in β ladder)trans-125.9108175-56.6-176.7000107.7A15 T19 E20 R22 I24 P98A15-I17 HydrophobicContact CB-CG1 4.39Å; I17-T19 PolarHBondContact O-N 3.46Å; I17-E20 PolarHBondContact N-O 2.75Å; I17-E20 PolarHBondContact O-N 3.47Å; I17-E20 VanDerWaalsContact O-N 3.15Å; I17-R22 HydrophobicContact CD1-CB 4.17Å; I17-I24 HydrophobicContact CD1-CG2 3.94Å; I17-P98 HydrophobicContact CD1-CB 4.24Å; I17-P98 HydrophobicContact CD1-CG 4.13Å; I17-P98 HydrophobicContact CG1-CB 3.9Å; I17-P98 HydrophobicContact CG1-CG 4.12Å
18G94.6Very high97.8Very high44 Ų4456.8 Ų56.845%0.45432%0.319SS..THydrogen-bonded Turntrans64-113.2-166.900000110.4
19T93.1Very high97.7Very high116 Ų11657.3 Ų57.371%0.71232%0.319SS*.THydrogen-bonded Turntrans-1092.2177.353.90000113.3I17I17-T19 PolarHBondContact O-N 3.46Å
20E97.4Very high97.6Very high98 Ų9861.3 Ų61.346%0.45834%0.335SS..EExtended strand (participates in β ladder)trans-105.8151.7-173.9-66.5-178-172.500112.4V16 I17 R22V16-E20 WeakPolarHBondContact CA-O 3.27Å; I17-E20 PolarHBondContact N-O 2.75Å; I17-E20 PolarHBondContact O-N 3.47Å; I17-E20 VanDerWaalsContact O-N 3.15Å; E20-R22 HydrophobicContact CB-CG 4.32Å; E20-R22 IonicContact OE1-NH2 3.83Å; E20-R22 IonicContact OE2-CZ 3.7Å; E20-R22 IonicContact OE2-NE 2.59Å; E20-R22 PolarHBondContact OE2-NE 3.01Å; E20-R22 IonicContact OE2-NH2 2.67Å; E20-R22 PolarHBondContact OE2-NH2 2.76Å
21L98.4Very high97.6Very high71 Ų7158.2 Ų58.237%0.37233%0.33SS..EExtended strand (participates in β ladder)trans-94.2119.6169.5-54.9-172.3000108.5T14 A15 V16 V76 Y77T14-L21 HydrophobicContact CG2-CB 4.01Å; A15-L21 WeakPolarHBondContact O-CA 3.5Å; V16-L21 HydrophobicContact CG2-CD2 3.76Å; L21-V76 HydrophobicContact CD1-CB 4.5Å; L21-V76 HydrophobicContact CD1-CG2 3.9Å; L21-V76 HydrophobicContact CD2-CB 3.87Å; L21-V76 HydrophobicContact CD2-CG2 4.21Å; L21-Y77 HydrophobicContact CD1-CE1 4.26Å
22R98.4Very high97.6Very high118 Ų11863 Ų6345%0.44535%0.351SS..EExtended strand (participates in β ladder)trans-130.8137.5-178.8-64.4-172.9-179.6-175.61.5111.1A15 I17 E20A15-R22 PolarHBondContact N-O 3.36Å; A15-R22 PolarHBondContact O-N 3.28Å; I17-R22 HydrophobicContact CD1-CB 4.17Å; E20-R22 HydrophobicContact CB-CG 4.32Å; E20-R22 IonicContact OE1-NH2 3.83Å; E20-R22 IonicContact OE2-CZ 3.7Å; E20-R22 IonicContact OE2-NE 2.59Å; E20-R22 PolarHBondContact OE2-NE 3.01Å; E20-R22 IonicContact OE2-NH2 2.67Å; E20-R22 PolarHBondContact OE2-NH2 2.76Å
23P98.4Very high97.6Very high96 Ų9656.1 Ų56.162%0.62332%0.318SS*.EExtended strand (participates in β ladder)trans-67.2137.716929.9-33.1000109.5G13G13-P23 CarbonylContact O-C 3.54Å; G13-P23 WeakPolarHBondContact O-CA 3.36Å
24I98.5Very high97.7Very high5 Ų555.4 Ų55.43%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-135.2144.617460.6163.2000109.8E12 G13 A15 I17 I69 P98 L100E12-I24 CarbonylContact C-O 3.5Å; E12-I24 WeakPolarHBondContact CA-O 3.38Å; G13-I24 PolarHBondContact N-O 3.3Å; G13-I24 PolarHBondContact O-N 3.25Å; G13-I24 VanDerWaalsContact O-O 3.11Å; A15-I24 HydrophobicContact CB-CD1 3.52Å; A15-I24 HydrophobicContact CB-CG1 3.73Å; A15-I24 HydrophobicContact CB-CG2 4.42Å; I17-I24 HydrophobicContact CD1-CG2 3.94Å; I24-I69 HydrophobicContact CD1-CG2 4.08Å; I24-P98 HydrophobicContact CD1-CB 4.29Å; I24-L100 HydrophobicContact CD1-CB 4.17Å; I24-L100 HydrophobicContact CD1-CD1 3.96Å; I24-L100 HydrophobicContact CD1-CD2 4.27Å; I24-L100 HydrophobicContact CD1-CG 4.36Å; I24-L100 HydrophobicContact CG1-CD1 3.76Å
25S98.5Very high97.7Very high23 Ų2352.6 Ų52.616%0.16129%0.293CS..EExtended strand (participates in β ladder)trans-126.3163.2169.665.50000111.2F11 S27 Q28 F29F11-S25 CarbonylContact O-C 3.44Å; F11-S25 WeakPolarHBondContact O-CA 3.42Å; F11-S25 WeakPolarHBondContact O-CB 3.48Å; S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact OG-OG 2.72Å; S25-Q28 VanDerWaalsContact O-CG 3.28Å; S25-Q28 WeakPolarHBondContact O-CG 3.45Å; S25-Q28 PolarHBondContact O-NE2 2.89Å; S25-Q28 PolarHBondContact OG-N 3.16Å; S25-F29 VanDerWaalsContact O-CD2 3.28Å; S25-F29 WeakPolarHBondContact O-CD2 3.38Å; S25-F29 WeakPolarHBondContact O-CE2 3.48Å
26L98.5Very high97.7Very high12 Ų1252.6 Ų52.66%0.06329%0.293CS..SBendtrans-65.2-40.2171.418057.4000111A8 D10 F11 Q28 F29 V34 I128A8-L26 HydrophobicContact CB-CD2 4Å; D10-L26 WeakPolarHBondContact OD1-CB 3.42Å; F11-L26 HydrophobicContact CD1-CB 3.78Å; F11-L26 HydrophobicContact CD1-CD2 4.35Å; F11-L26 HydrophobicContact CD1-CG 4.47Å; F11-L26 HydrophobicContact CD2-CB 4.43Å; F11-L26 HydrophobicContact CE1-CB 3.61Å; F11-L26 HydrophobicContact CE1-CD1 3.82Å; F11-L26 HydrophobicContact CE1-CD2 4.25Å; F11-L26 HydrophobicContact CE1-CG 4.08Å; F11-L26 HydrophobicContact CE2-CB 4.26Å; F11-L26 HydrophobicContact CG-CB 4.19Å; F11-L26 HydrophobicContact CZ-CB 3.86Å; F11-L26 HydrophobicContact CZ-CD1 4.12Å; F11-L26 PolarHBondContact O-N 2.8Å; L26-Q28 PolarHBondContact O-N 3.31Å; L26-Q28 VanDerWaalsContact O-N 3.17Å; L26-F29 PolarHBondContact O-N 3.09Å; L26-V34 HydrophobicContact CD1-CB 4.3Å; L26-V34 HydrophobicContact CD1-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG2 4.07Å; L26-I128 HydrophobicContact CD1-CD1 3.89Å; L26-I128 HydrophobicContact CD2-CD1 4.22Å
27S96.8Very high97.7Very high64 Ų6452.5 Ų52.545%0.44829%0.293SS..G310 helixtrans-57.5-29.4-17855.70000114.4S25 F29 Q30S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact OG-OG 2.72Å; S27-F29 PolarHBondContact O-N 3.46Å; S27-Q30 VanDerWaalsContact O-CG 3.27Å; S27-Q30 WeakPolarHBondContact O-CG 3.44Å; S27-Q30 PolarHBondContact O-N 3.23Å
28Q97.3Very high97.7Very high98 Ų9849.9 Ų49.946%0.45828%0.279SS..G310 helixtrans-66.2-17.7176.588.2-167.3-59.200113.4S25 L26S25-Q28 VanDerWaalsContact O-CG 3.28Å; S25-Q28 WeakPolarHBondContact O-CG 3.45Å; S25-Q28 PolarHBondContact O-NE2 2.89Å; S25-Q28 PolarHBondContact OG-N 3.16Å; L26-Q28 PolarHBondContact O-N 3.31Å; L26-Q28 VanDerWaalsContact O-N 3.17Å
29F97.3Very high97.9Very high21 Ų2147.8 Ų47.89%0.09226%0.258CS..G310 helixtrans-97.19.9-178.8-59.4-68.9000113S25 L26 S27 G31 K32 V34 Q67 I69S25-F29 VanDerWaalsContact O-CD2 3.28Å; S25-F29 WeakPolarHBondContact O-CD2 3.38Å; S25-F29 WeakPolarHBondContact O-CE2 3.48Å; L26-F29 PolarHBondContact O-N 3.09Å; S27-F29 PolarHBondContact O-N 3.46Å; F29-G31 PolarHBondContact O-N 3.49Å; F29-K32 WeakPolarHBondContact O-CA 3.33Å; F29-K32 WeakPolarHBondContact O-CB 3.49Å; F29-K32 PolarHBondContact O-N 3.48Å; F29-V34 HydrophobicContact CB-CG2 3.39Å; F29-V34 HydrophobicContact CD2-CG2 4.12Å; F29-V34 HydrophobicContact CG-CG2 3.83Å; F29-Q67 HydrophobicContact CD1-CB 3.98Å; F29-Q67 HydrophobicContact CD1-CG 3.98Å; F29-Q67 HydrophobicContact CE1-CB 4.07Å; F29-Q67 HydrophobicContact CE1-CG 3.55Å; F29-Q67 HydrophobicContact CZ-CG 3.94Å; F29-I69 HydrophobicContact CD2-CD1 3.91Å; F29-I69 HydrophobicContact CE2-CD1 3.33Å; F29-I69 HydrophobicContact CE2-CG1 4.47Å; F29-I69 HydrophobicContact CZ-CD1 3.82Å
30Q96.2Very high98.1Very high116 Ų11642.7 Ų42.754%0.54223%0.227SC..THydrogen-bonded Turntrans-50.4136.6170.7-78-69-23.400111.3S27 K32 R130S27-Q30 VanDerWaalsContact O-CG 3.27Å; S27-Q30 WeakPolarHBondContact O-CG 3.44Å; S27-Q30 PolarHBondContact O-N 3.23Å; Q30-K32 VanDerWaalsContact C-N 3.29Å; Q30-R130 PolarHBondContact OE1-O 2.8Å
31G97.8Very high98.2Very high48 Ų4840.8 Ų40.850%0.49522%0.219SC..THydrogen-bonded Turntrans83.4-6.5-172.300000115.2F29 R130F29-G31 PolarHBondContact O-N 3.49Å; G31-R130 PolarHBondContact N-O 2.85Å; G31-R130 WeakPolarHBondContact O-CD 3.42Å; G31-R130 WeakPolarHBondContact O-CG 3.33Å
32K98.4Very high98.2Very high109 Ų10937.9 Ų37.947%0.47420%0.204SC..SBendtrans-118.7152.9173.3-64-179.2-179.2178.30110.7F29 Q30 G65 R130F29-K32 WeakPolarHBondContact O-CA 3.33Å; F29-K32 WeakPolarHBondContact O-CB 3.49Å; F29-K32 PolarHBondContact O-N 3.48Å; Q30-K32 VanDerWaalsContact C-N 3.29Å; K32-G65 WeakPolarHBondContact CA-O 3.43Å; K32-G65 WeakPolarHBondContact CB-O 3.49Å; K32-R130 WeakPolarHBondContact O-CA 3.38Å
33Y98.8Very high98.1Very high4 Ų437.4 Ų37.42%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-68.8150.3162.9-79.8-97.3000109.5G65 C66 Q67 L127 I128 D129 R130 L155 F158 I159 E162Y33-G65 PolarHBondContact N-O 2.83Å; Y33-C66 CarbonylContact O-C 3.24Å; Y33-C66 VanDerWaalsContact O-CA 3.31Å; Y33-C66 WeakPolarHBondContact O-CA 3.37Å; Y33-Q67 PolarHBondContact O-N 2.94Å; Y33-L127 HydrophobicContact CD1-CD1 3.99Å; Y33-L127 HydrophobicContact CD1-CG 4.42Å; Y33-I128 CarbonylContact C-O 3.55Å; Y33-I128 VanDerWaalsContact CA-O 3.3Å; Y33-I128 WeakPolarHBondContact CA-O 3.28Å; Y33-I128 WeakPolarHBondContact CD1-O 3.46Å; Y33-D129 HydrophobicContact CD1-CB 4.18Å; Y33-D129 HydrophobicContact CE1-CB 3.69Å; Y33-R130 HydrophobicContact CD2-CG 3.75Å; Y33-R130 HydrophobicContact CE2-CG 3.78Å; Y33-L155 HydrophobicContact CD1-CD1 3.74Å; Y33-L155 HydrophobicContact CD2-CD1 4.28Å; Y33-L155 HydrophobicContact CE1-CD1 4.31Å; Y33-L155 HydrophobicContact CG-CD1 3.72Å; Y33-F158 HydrophobicContact CE1-CB 4.17Å; Y33-I159 HydrophobicContact CD2-CG1 4.28Å; Y33-I159 HydrophobicContact CE2-CG1 3.75Å; Y33-E162 WeakPolarHBondContact CE2-OE2 3.12Å; Y33-E162 PolarHBondContact OH-OE2 2.99Å
34V98.9Very high97.9Very high2 Ų234.7 Ų34.71%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-127.3128.6171.4178.30000109L26 F29 Q67 I69 I128L26-V34 HydrophobicContact CD1-CB 4.3Å; L26-V34 HydrophobicContact CD1-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG2 4.07Å; F29-V34 HydrophobicContact CB-CG2 3.39Å; F29-V34 HydrophobicContact CD2-CG2 4.12Å; F29-V34 HydrophobicContact CG-CG2 3.83Å; V34-Q67 CarbonylContact C-O 3.46Å; V34-Q67 VanDerWaalsContact CA-O 3.32Å; V34-Q67 WeakPolarHBondContact CA-O 3.5Å; V34-I69 HydrophobicContact CG1-CD1 3.78Å; V34-I69 HydrophobicContact CG1-CG1 4.33Å; V34-I128 HydrophobicContact CB-CB 4.24Å; V34-I128 HydrophobicContact CB-CD1 4.46Å; V34-I128 HydrophobicContact CG1-CD1 4.47Å; V34-I128 PolarHBondContact N-O 2.88Å; V34-I128 PolarHBondContact O-N 2.96Å
35L98.9Very high97.4Very high2 Ų243.2 Ų43.21%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-104.8101.9167.3-170.474.6000108.4V37 F54 F61 Q67 V68 I69 M125 F126 L127 A151L35-V37 HydrophobicContact CD2-CG2 4.09Å; L35-V37 HydrophobicContact CG-CG2 3.99Å; L35-F54 HydrophobicContact CD2-CD1 4.1Å; L35-F54 HydrophobicContact CD2-CE1 3.49Å; L35-F54 VanDerWaalsContact CD2-CE1 3.49Å; L35-F54 HydrophobicContact CD2-CZ 4.2Å; L35-F61 HydrophobicContact CD2-CD1 4.4Å; L35-F61 HydrophobicContact CD2-CE1 3.76Å; L35-F61 HydrophobicContact CD2-CZ 4.15Å; L35-Q67 PolarHBondContact N-O 3.35Å; L35-V68 HydrophobicContact CB-CG2 4.26Å; L35-V68 HydrophobicContact CD2-CG1 4.4Å; L35-V68 HydrophobicContact CD2-CG2 4.26Å; L35-V68 WeakPolarHBondContact O-CA 3.28Å; L35-I69 PolarHBondContact O-N 3.02Å; L35-M125 HydrophobicContact CD1-CG 3.71Å; L35-M125 HydrophobicContact CD1-SD 3.96Å; L35-M125 HydrophobicContact CD2-SD 4.11Å; L35-M125 HydrophobicContact CG-CG 4.14Å; L35-M125 HydrophobicContact CG-SD 4.3Å; L35-F126 WeakPolarHBondContact CA-O 3.34Å; L35-L127 HydrophobicContact CD1-CB 4.17Å; L35-L127 HydrophobicContact CD1-CD1 4.19Å; L35-A151 HydrophobicContact CD2-CB 4.04Å
36L98.9Very high97Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-91.4118.5178.1-177.165.2000109.5F11 F38 I69 C71 Y111 M125 F126F11-L36 HydrophobicContact CD1-CD2 4.16Å; F11-L36 HydrophobicContact CE1-CD1 4.31Å; F11-L36 HydrophobicContact CE1-CD2 3.83Å; F11-L36 HydrophobicContact CZ-CD1 4.35Å; L36-F38 HydrophobicContact CD2-CD2 4.46Å; L36-F38 HydrophobicContact CD2-CE2 3.44Å; L36-F38 VanDerWaalsContact CD2-CE2 3.44Å; L36-F38 HydrophobicContact CD2-CZ 3.62Å; L36-F38 HydrophobicContact CG-CD2 4.26Å; L36-F38 HydrophobicContact CG-CE2 3.67Å; L36-F38 HydrophobicContact CG-CZ 4.12Å; L36-I69 WeakPolarHBondContact CA-O 3.39Å; L36-I69 HydrophobicContact CD1-CB 4.04Å; L36-I69 HydrophobicContact CD1-CG2 3.97Å; L36-C71 HydrophobicContact CD1-CB 4.17Å; L36-Y111 HydrophobicContact CD2-CD1 4.17Å; L36-Y111 HydrophobicContact CD2-CD2 4.25Å; L36-Y111 HydrophobicContact CD2-CE1 3.71Å; L36-Y111 HydrophobicContact CD2-CE2 3.79Å; L36-Y111 HydrophobicContact CD2-CG 4.41Å; L36-Y111 VanDerWaalsContact CD2-CZ 3.47Å; L36-M125 CarbonylContact O-C 3.49Å; L36-M125 WeakPolarHBondContact O-CA 3.3Å; L36-F126 HydrophobicContact CB-CB 4.4Å; L36-F126 PolarHBondContact N-O 3.45Å; L36-F126 PolarHBondContact O-N 2.9Å
37V98.8Very high96.5Very high1 Ų143.4 Ų43.41%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-117.9100.5-171.8-173.60000109.4L35 F54 V68 I69 A70 C71 M125L35-V37 HydrophobicContact CD2-CG2 4.09Å; L35-V37 HydrophobicContact CG-CG2 3.99Å; V37-F54 HydrophobicContact CG1-CD2 4.39Å; V37-F54 HydrophobicContact CG1-CE2 4.13Å; V37-F54 HydrophobicContact CG2-CE2 4.35Å; V37-F54 HydrophobicContact CG2-CZ 4.38Å; V37-V68 HydrophobicContact CG2-CG1 4.13Å; V37-I69 PolarHBondContact N-O 2.92Å; V37-A70 CarbonylContact O-C 3.59Å; V37-A70 VanDerWaalsContact O-CA 3.27Å; V37-A70 WeakPolarHBondContact O-CA 3.32Å; V37-C71 PolarHBondContact O-N 2.84Å; V37-M125 HydrophobicContact CG2-CG 4.22Å
38F98.8Very high96.4Very high0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-76.3143.1171.7-65.2-94.9000111.1L36 C71 I107 Y111 V113 A121 G124 F126 R146L36-F38 HydrophobicContact CD2-CD2 4.46Å; L36-F38 HydrophobicContact CD2-CE2 3.44Å; L36-F38 VanDerWaalsContact CD2-CE2 3.44Å; L36-F38 HydrophobicContact CD2-CZ 3.62Å; L36-F38 HydrophobicContact CG-CD2 4.26Å; L36-F38 HydrophobicContact CG-CE2 3.67Å; L36-F38 HydrophobicContact CG-CZ 4.12Å; F38-C71 CarbonylContact C-O 3.48Å; F38-C71 WeakPolarHBondContact CA-O 3.33Å; F38-C71 HydrophobicContact CD1-CB 3.96Å; F38-C71 HydrophobicContact CE1-CB 4.05Å; F38-I107 HydrophobicContact CE1-CG2 3.98Å; F38-I107 HydrophobicContact CZ-CG2 3.82Å; F38-Y111 HydrophobicContact CE2-CD1 4.04Å; F38-Y111 HydrophobicContact CE2-CD2 4.33Å; F38-Y111 AromaticContact CE2-CG 3.8Å; F38-Y111 HydrophobicContact CE2-CG 3.8Å; F38-Y111 HydrophobicContact CZ-CD1 4.42Å; F38-Y111 AromaticContact CZ-CD2 3.89Å; F38-Y111 HydrophobicContact CZ-CD2 3.89Å; F38-Y111 AromaticContact CZ-CG 3.76Å; F38-Y111 HydrophobicContact CZ-CG 3.76Å; F38-V113 HydrophobicContact CB-CG2 4.27Å; F38-V113 HydrophobicContact CD1-CG2 3.95Å; F38-V113 HydrophobicContact CD2-CG2 3.93Å; F38-V113 HydrophobicContact CE1-CG2 4.22Å; F38-V113 HydrophobicContact CE2-CG2 4.19Å; F38-V113 HydrophobicContact CG-CG2 3.78Å; F38-V113 HydrophobicContact CZ-CG2 4.32Å; F38-A121 HydrophobicContact CB-CB 4.01Å; F38-A121 HydrophobicContact CD1-CB 4.18Å; F38-A121 HydrophobicContact CG-CB 4.47Å; F38-G124 WeakPolarHBondContact CA-O 3.33Å; F38-G124 WeakPolarHBondContact CB-O 3.45Å; F38-G124 PolarHBondContact N-O 2.98Å; F38-F126 AromaticContact CD2-CD2 3.81Å; F38-F126 HydrophobicContact CD2-CD2 3.81Å; F38-F126 AromaticContact CD2-CE2 3.62Å; F38-F126 HydrophobicContact CD2-CE2 3.62Å; F38-F126 AromaticContact CE2-CD2 3.69Å; F38-F126 HydrophobicContact CE2-CD2 3.69Å; F38-F126 AromaticContact CE2-CE2 3.62Å; F38-F126 HydrophobicContact CE2-CE2 3.62Å; F38-R146 VanDerWaalsContact O-CZ 3.24Å; F38-R146 PolarHBondContact O-NH1 2.77Å; F38-R146 PolarHBondContact O-NH2 2.82Å
39Y98.6Very high96.4Very high0 Ų040.3 Ų40.30%021%0.21CC..  trans-136.7154.2169.763.3-79.1000109.7D42 C47 L51 A70 C71 S72 H79 W82Y39-D42 VanDerWaalsContact CE2-OD1 3.26Å; Y39-D42 WeakPolarHBondContact CE2-OD1 3.11Å; Y39-D42 PolarHBondContact OH-OD1 3.39Å; Y39-C47 HydrophobicContact CD2-CB 3.86Å; Y39-C47 HydrophobicContact CG-CB 4.48Å; Y39-L51 HydrophobicContact CD1-CD1 4.11Å; Y39-L51 HydrophobicContact CD1-CD2 3.84Å; Y39-L51 HydrophobicContact CD1-CG 4.39Å; Y39-L51 HydrophobicContact CD2-CD1 4.32Å; Y39-L51 HydrophobicContact CE1-CD1 3.79Å; Y39-L51 HydrophobicContact CE1-CD2 4.07Å; Y39-L51 HydrophobicContact CE1-CG 4.49Å; Y39-L51 HydrophobicContact CE2-CD1 3.99Å; Y39-L51 HydrophobicContact CG-CD1 4.36Å; Y39-L51 HydrophobicContact CG-CD2 4.4Å; Y39-A70 HydrophobicContact CD1-CB 4.35Å; Y39-A70 HydrophobicContact CE1-CB 4Å; Y39-C71 WeakPolarHBondContact CD1-O 3.14Å; Y39-C71 VanDerWaalsContact CE1-C 3.5Å; Y39-C71 WeakPolarHBondContact CE1-O 3.22Å; Y39-C71 PolarHBondContact N-O 3.49Å; Y39-S72 WeakPolarHBondContact O-CB 3Å; Y39-H79 PolarHBondContact OH-CE1 2.78Å; Y39-H79 PolarHBondContact OH-ND1 2.67Å; Y39-W82 HydrophobicContact CE2-CH2 4.45Å; Y39-W82 AromaticContact CE2-CZ3 3.75Å; Y39-W82 HydrophobicContact CE2-CZ3 3.75Å
40P97.8Very high96.3Very high9 Ų939.6 Ų39.66%0.05821%0.207CC..SBendtrans-57.8-65.2-175.5-27.231.9000114.3H120 A121 R123 R142P40-H120 WeakPolarHBondContact O-CB 3.48Å; P40-A121 VanDerWaalsContact CA-O 3.27Å; P40-A121 WeakPolarHBondContact CA-O 3.39Å; P40-A121 WeakPolarHBondContact CG-O 3.31Å; P40-R123 HydrophobicContact CG-CG 4.35Å; P40-R142 HydrophobicContact CG-CG 4.47Å
41L97.9Very high96.4Very high58 Ų5834.1 Ų34.130%0.30418%0.181SC..  trans-151.7146.6-167.6-71.3171.6000111.9T44 D74 H120L41-T44 HydrophobicContact CB-CG2 3.67Å; L41-T44 HydrophobicContact CD1-CG2 4.49Å; L41-T44 PolarHBondContact O-OG1 2.66Å; L41-D74 WeakPolarHBondContact CA-OD2 3.42Å; L41-H120 HydrophobicContact CD2-CB 4Å; L41-H120 HydrophobicContact CG-CB 4.11Å
42D98.2Very high96.4Very high10 Ų1033.1 Ų33.15%0.05317%0.165CC..THydrogen-bonded Turntrans-60.1155.4164.4-73.50.5000111.5Y39 T44 D74 A78 H79 W82Y39-D42 VanDerWaalsContact CE2-OD1 3.26Å; Y39-D42 WeakPolarHBondContact CE2-OD1 3.11Å; Y39-D42 PolarHBondContact OH-OD1 3.39Å; D42-T44 PolarHBondContact O-N 3.48Å; D42-T44 VanDerWaalsContact O-N 3.16Å; D42-D74 HydrophobicContact CB-CB 4.37Å; D42-D74 PolarHBondContact N-OD2 2.75Å; D42-A78 WeakPolarHBondContact OD2-CB 3.36Å; D42-H79 VanDerWaalsContact CG-ND1 3.32Å; D42-H79 IonicContact OD1-CE1 3.28Å; D42-H79 PolarHBondContact OD1-CE1 3.24Å; D42-H79 IonicContact OD1-ND1 2.77Å; D42-H79 PolarHBondContact OD1-ND1 2.9Å; D42-H79 VanDerWaalsContact OD1-ND1 3.12Å; D42-H79 WeakPolarHBondContact OD2-CA 3.39Å; D42-H79 IonicContact OD2-CE1 3.4Å; D42-H79 IonicContact OD2-CG 3.52Å; D42-H79 PolarHBondContact OD2-N 3.34Å; D42-H79 IonicContact OD2-ND1 3.57Å; D42-H79 PolarHBondContact OD2-ND1 3.15Å; D42-W82 HydrophobicContact CB-CD2 4.17Å; D42-W82 HydrophobicContact CB-CE3 3.74Å; D42-W82 HydrophobicContact CB-CZ3 4.14Å; D42-W82 VanDerWaalsContact CG-CE3 3.47Å; D42-W82 WeakPolarHBondContact OD1-CZ3 3.45Å
43F97Very high96.4Very high108 Ų10829.5 Ų29.547%0.47416%0.155SC..THydrogen-bonded Turntrans57.927.3176.2-53.2-83.3000115A78 A81 W82 L85F43-A78 HydrophobicContact CE2-CB 4.43Å; F43-A81 HydrophobicContact CZ-CB 4.14Å; F43-W82 AromaticContact CD1-CD1 3.44Å; F43-W82 VanDerWaalsContact CD1-CD1 3.44Å; F43-W82 HydrophobicContact CD1-CG 4.04Å; F43-W82 AromaticContact CD1-NE1 3.9Å; F43-W82 HydrophobicContact CE1-CB 3.85Å; F43-W82 AromaticContact CE1-CD1 3.4Å; F43-W82 VanDerWaalsContact CE1-CD1 3.4Å; F43-W82 AromaticContact CE1-CG 3.82Å; F43-W82 HydrophobicContact CE1-CG 3.82Å; F43-W82 HydrophobicContact CE2-CB 3.98Å; F43-W82 HydrophobicContact CE2-CG 4.28Å; F43-W82 HydrophobicContact CG-CG 4.39Å; F43-W82 HydrophobicContact CZ-CB 3.54Å; F43-W82 AromaticContact CZ-CG 3.94Å; F43-W82 HydrophobicContact CZ-CG 3.94Å; F43-W82 VanDerWaalsContact N-CE2 3.34Å; F43-L85 HydrophobicContact CD1-CD2 4.29Å; F43-L85 HydrophobicContact CE1-CD2 4.18Å
44T93.4Very high96.4Very high39 Ų3929.4 Ų29.424%0.23916%0.155CC..  trans-107.7-165.2173.762.20000111.8L41 D42 C47 P48L41-T44 HydrophobicContact CB-CG2 3.67Å; L41-T44 HydrophobicContact CD1-CG2 4.49Å; L41-T44 PolarHBondContact O-OG1 2.66Å; D42-T44 PolarHBondContact O-N 3.48Å; D42-T44 VanDerWaalsContact O-N 3.16Å; T44-C47 WeakPolarHBondContact OG1-CB 3.45Å; T44-C47 PolarHBondContact OG1-SG 2.87Å; T44-P48 WeakPolarHBondContact O-CD 3.33Å; T44-P48 VanDerWaalsContact O-CG 3.31Å; T44-P48 WeakPolarHBondContact O-CG 3.31Å
45F89.6Confident96.4Very high184 Ų18429.3 Ų29.381%0.80715%0.154SC*.SBendtrans-97.3-57.7-162.1-45.5-65.6000114.6P48F45-P48 VanDerWaalsContact O-CD 3.29Å; F45-P48 WeakPolarHBondContact O-CD 3.14Å; F45-P48 WeakPolarHBondContact O-CG 3.4Å
46V88.3Confident96.4Very high38 Ų3834.7 Ų34.723%0.2318%0.179CC..Hα-helixtrans-79.5-31.9-178.5173.90000111.2T49 E50V46-T49 PolarHBondContact O-N 2.91Å; V46-T49 VanDerWaalsContact O-N 3.11Å; V46-T49 PolarHBondContact O-OG1 2.85Å; V46-E50 HydrophobicContact CG1-CG 4.26Å; V46-E50 PolarHBondContact O-N 3.42Å
47C89.5Confident96.3Very high0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-52.7-51.4-179.4-56.50000113.6Y39 T44 T49 E50 L51 W82 R123Y39-C47 HydrophobicContact CD2-CB 3.86Å; Y39-C47 HydrophobicContact CG-CB 4.48Å; T44-C47 WeakPolarHBondContact OG1-CB 3.45Å; T44-C47 PolarHBondContact OG1-SG 2.87Å; C47-T49 VanDerWaalsContact C-N 3.26Å; C47-T49 PolarHBondContact O-N 3.32Å; C47-E50 PolarHBondContact O-N 3.29Å; C47-L51 WeakPolarHBondContact O-CG 3.42Å; C47-L51 PolarHBondContact O-N 3.15Å; C47-L51 VanDerWaalsContact O-N 3.08Å; C47-W82 HydrophobicContact CB-CH2 3.9Å; C47-R123 PolarHBondContact SG-NH1 3.21Å; C47-R123 VanDerWaalsContact SG-NH1 3.4Å
48P94.4Very high96.3Very high12 Ų1237.5 Ų37.58%0.07819%0.19CC..Hα-helixtrans-61.4-36.1179.222.1-31.1000112T44 F45 E50 L51 I52 W82 L92T44-P48 WeakPolarHBondContact O-CD 3.33Å; T44-P48 VanDerWaalsContact O-CG 3.31Å; T44-P48 WeakPolarHBondContact O-CG 3.31Å; F45-P48 VanDerWaalsContact O-CD 3.29Å; F45-P48 WeakPolarHBondContact O-CD 3.14Å; F45-P48 WeakPolarHBondContact O-CG 3.4Å; P48-E50 VanDerWaalsContact C-N 3.34Å; P48-E50 PolarHBondContact O-N 2.54Å; P48-L51 PolarHBondContact O-N 3.41Å; P48-I52 HydrophobicContact CB-CD1 4.37Å; P48-I52 VanDerWaalsContact O-CB 3.26Å; P48-I52 WeakPolarHBondContact O-CB 3.5Å; P48-I52 WeakPolarHBondContact O-CD1 3.2Å; P48-I52 WeakPolarHBondContact O-CG1 3.48Å; P48-I52 PolarHBondContact O-N 3.45Å; P48-W82 HydrophobicContact CB-CH2 4.14Å; P48-W82 HydrophobicContact CB-CZ2 3.61Å; P48-W82 HydrophobicContact CG-CH2 4.46Å; P48-W82 HydrophobicContact CG-CZ2 3.86Å; P48-L92 HydrophobicContact CB-CD2 3.83Å
49T96.4Very high96.3Very high85 Ų8540.8 Ų40.852%0.52122%0.217SC..Hα-helixtrans-63.6-39.6179.472.20000112.3V46 C47 A53V46-T49 PolarHBondContact O-N 2.91Å; V46-T49 VanDerWaalsContact O-N 3.11Å; V46-T49 PolarHBondContact O-OG1 2.85Å; C47-T49 VanDerWaalsContact C-N 3.26Å; C47-T49 PolarHBondContact O-N 3.32Å; T49-A53 VanDerWaalsContact O-CB 3.31Å; T49-A53 WeakPolarHBondContact O-CB 3.04Å; T49-A53 PolarHBondContact O-N 3.13Å; T49-A53 VanDerWaalsContact O-N 3.11Å
50E96.4Very high96.3Very high7 Ų744 Ų443%0.03323%0.232CC..Hα-helixtrans-69.8-48.6178-66.5-172.1112.700110.8V46 C47 P48 I52 A53 F54 R123 R146V46-E50 HydrophobicContact CG1-CG 4.26Å; V46-E50 PolarHBondContact O-N 3.42Å; C47-E50 PolarHBondContact O-N 3.29Å; P48-E50 VanDerWaalsContact C-N 3.34Å; P48-E50 PolarHBondContact O-N 2.54Å; E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 2.99Å; E50-A53 PolarHBondContact O-N 3.26Å; E50-F54 VanDerWaalsContact O-CD2 3.27Å; E50-F54 WeakPolarHBondContact O-CD2 3.47Å; E50-F54 PolarHBondContact O-N 2.88Å; E50-R123 IonicContact OE2-CZ 2.68Å; E50-R123 IonicContact OE2-NE 2.75Å; E50-R123 IonicContact OE2-NH1 3.66Å; E50-R123 PolarHBondContact OE2-NH1 3.4Å; E50-R146 VanDerWaalsContact CD-NH2 3.32Å; E50-R146 WeakPolarHBondContact OE1-CB 3.37Å; E50-R146 IonicContact OE1-CZ 3.84Å; E50-R146 PolarHBondContact OE1-N 3.41Å; E50-R146 IonicContact OE1-NE 3.99Å; E50-R146 PolarHBondContact OE1-NE 3.31Å; E50-R146 IonicContact OE1-NH2 3.71Å; E50-R146 PolarHBondContact OE1-NH2 3.29Å; E50-R146 IonicContact OE2-CZ 2.91Å; E50-R146 IonicContact OE2-NE 2.75Å; E50-R146 IonicContact OE2-NH2 2.94Å; E50-R146 PolarHBondContact OE2-NH2 3.01Å
51L97.8Very high96.4Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-62.4-42.9-177.8-63.5-171.8000111.6Y39 C47 P48 F54 S55 A70 W82 L92 M95 L99Y39-L51 HydrophobicContact CD1-CD1 4.11Å; Y39-L51 HydrophobicContact CD1-CD2 3.84Å; Y39-L51 HydrophobicContact CD1-CG 4.39Å; Y39-L51 HydrophobicContact CD2-CD1 4.32Å; Y39-L51 HydrophobicContact CE1-CD1 3.79Å; Y39-L51 HydrophobicContact CE1-CD2 4.07Å; Y39-L51 HydrophobicContact CE1-CG 4.49Å; Y39-L51 HydrophobicContact CE2-CD1 3.99Å; Y39-L51 HydrophobicContact CG-CD1 4.36Å; Y39-L51 HydrophobicContact CG-CD2 4.4Å; C47-L51 WeakPolarHBondContact O-CG 3.42Å; C47-L51 PolarHBondContact O-N 3.15Å; C47-L51 VanDerWaalsContact O-N 3.08Å; P48-L51 PolarHBondContact O-N 3.41Å; L51-F54 PolarHBondContact O-N 2.74Å; L51-S55 WeakPolarHBondContact O-CB 3.43Å; L51-S55 PolarHBondContact O-N 2.84Å; L51-A70 HydrophobicContact CD2-CB 3.42Å; L51-A70 VanDerWaalsContact CD2-CB 3.42Å; L51-W82 HydrophobicContact CD1-CH2 4.22Å; L51-W82 HydrophobicContact CD1-CZ3 3.73Å; L51-L92 HydrophobicContact CB-CD2 4.02Å; L51-L92 HydrophobicContact CD1-CD1 4.04Å; L51-L92 HydrophobicContact CD1-CD2 4.13Å; L51-M95 HydrophobicContact CB-CE 3.84Å; L51-M95 WeakPolarHBondContact O-CE 3.47Å; L51-L99 HydrophobicContact CD1-CD2 4.29Å
52I98.1Very high96.4Very high27 Ų2746 Ų4614%0.13824%0.239CC..Hα-helixtrans-61.4-47.5175.5-69.9164.2000110.3P48 E50 F54 S55 E56 R87 L92P48-I52 HydrophobicContact CB-CD1 4.37Å; P48-I52 VanDerWaalsContact O-CB 3.26Å; P48-I52 WeakPolarHBondContact O-CB 3.5Å; P48-I52 WeakPolarHBondContact O-CD1 3.2Å; P48-I52 WeakPolarHBondContact O-CG1 3.48Å; P48-I52 PolarHBondContact O-N 3.45Å; E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 2.99Å; I52-F54 PolarHBondContact O-N 2.89Å; I52-S55 WeakPolarHBondContact O-CB 3.49Å; I52-S55 PolarHBondContact O-N 3.38Å; I52-S55 VanDerWaalsContact O-N 3.12Å; I52-E56 HydrophobicContact CG2-CG 4.18Å; I52-E56 WeakPolarHBondContact O-CG 3.3Å; I52-E56 PolarHBondContact O-N 3.37Å; I52-R87 HydrophobicContact CD1-CB 4.5Å; I52-R87 HydrophobicContact CD1-CG 3.88Å; I52-L92 HydrophobicContact CG1-CD2 4.39Å
53A98.4Very high96.4Very high33 Ų3350 Ų5027%0.27327%0.268SS..Hα-helixtrans-61-42.1-178.800000112.6T49 E50 R57 V148T49-A53 VanDerWaalsContact O-CB 3.31Å; T49-A53 WeakPolarHBondContact O-CB 3.04Å; T49-A53 PolarHBondContact O-N 3.13Å; T49-A53 VanDerWaalsContact O-N 3.11Å; E50-A53 PolarHBondContact O-N 3.26Å; A53-R57 PolarHBondContact O-N 3.22Å; A53-V148 HydrophobicContact CB-CG2 3.75Å
54F98.6Very high96.4Very high2 Ų248 Ų481%0.00926%0.257CS..Hα-helixtrans-68.2-38.5173.6-81.6-70.5000112.6L35 V37 E50 L51 I52 R57 A58 F61 V68 I97 M125 V148 A151L35-F54 HydrophobicContact CD2-CD1 4.1Å; L35-F54 HydrophobicContact CD2-CE1 3.49Å; L35-F54 VanDerWaalsContact CD2-CE1 3.49Å; L35-F54 HydrophobicContact CD2-CZ 4.2Å; V37-F54 HydrophobicContact CG1-CD2 4.39Å; V37-F54 HydrophobicContact CG1-CE2 4.13Å; V37-F54 HydrophobicContact CG2-CE2 4.35Å; V37-F54 HydrophobicContact CG2-CZ 4.38Å; E50-F54 VanDerWaalsContact O-CD2 3.27Å; E50-F54 WeakPolarHBondContact O-CD2 3.47Å; E50-F54 PolarHBondContact O-N 2.88Å; L51-F54 PolarHBondContact O-N 2.74Å; I52-F54 PolarHBondContact O-N 2.89Å; F54-R57 CarbonylContact O-C 3.56Å; F54-R57 PolarHBondContact O-N 3.34Å; F54-A58 WeakPolarHBondContact O-CA 3.43Å; F54-A58 PolarHBondContact O-N 2.86Å; F54-F61 AromaticContact CD1-CE2 3.89Å; F54-F61 HydrophobicContact CD1-CE2 3.89Å; F54-F61 AromaticContact CD1-CZ 3.83Å; F54-F61 HydrophobicContact CD1-CZ 3.83Å; F54-F61 HydrophobicContact CE1-CE2 4.33Å; F54-F61 AromaticContact CE1-CZ 3.8Å; F54-F61 HydrophobicContact CE1-CZ 3.8Å; F54-V68 HydrophobicContact CB-CG1 4.25Å; F54-V68 HydrophobicContact CD1-CG1 4.19Å; F54-V68 HydrophobicContact CG-CG1 4.36Å; F54-I97 HydrophobicContact CB-CD1 4.09Å; F54-M125 HydrophobicContact CE1-SD 4.48Å; F54-M125 HydrophobicContact CZ-SD 3.81Å; F54-V148 HydrophobicContact CD1-CG1 4.08Å; F54-V148 HydrophobicContact CD1-CG2 4.05Å; F54-V148 HydrophobicContact CD2-CG2 4.13Å; F54-V148 HydrophobicContact CE1-CB 4.34Å; F54-V148 HydrophobicContact CE1-CG1 4.1Å; F54-V148 HydrophobicContact CE1-CG2 4.01Å; F54-V148 HydrophobicContact CE2-CG2 4.09Å; F54-V148 HydrophobicContact CG-CG2 4.1Å; F54-V148 HydrophobicContact CZ-CG2 4.03Å; F54-A151 HydrophobicContact CE1-CB 3.99Å; F54-A151 HydrophobicContact CZ-CB 4.25Å
55S98.4Very high96.7Very high0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-65.2-44.5179.3-179.80000112.6L51 I52 R57 A58 M95 N96L51-S55 WeakPolarHBondContact O-CB 3.43Å; L51-S55 PolarHBondContact O-N 2.84Å; I52-S55 WeakPolarHBondContact O-CB 3.49Å; I52-S55 PolarHBondContact O-N 3.38Å; I52-S55 VanDerWaalsContact O-N 3.12Å; S55-R57 PolarHBondContact O-N 3.49Å; S55-A58 VanDerWaalsContact O-CB 3.28Å; S55-A58 WeakPolarHBondContact O-CB 3.36Å; S55-A58 PolarHBondContact O-N 2.75Å; S55-M95 WeakPolarHBondContact OG-CA 3.39Å; S55-N96 WeakPolarHBondContact O-CB 3.32Å; S55-N96 PolarHBondContact O-ND2 2.75Å; S55-N96 PolarHBondContact OG-N 2.94Å
56E98.3Very high97.1Very high116 Ų11638.9 Ų38.954%0.54222%0.222SC..Hα-helixtrans-64.8-31.9178.3-72.2-179.3161.900112.2I52 R87I52-E56 HydrophobicContact CG2-CG 4.18Å; I52-E56 WeakPolarHBondContact O-CG 3.3Å; I52-E56 PolarHBondContact O-N 3.37Å; E56-R87 IonicContact OE1-CZ 2.76Å; E56-R87 IonicContact OE1-NH1 3.86Å; E56-R87 PolarHBondContact OE1-NH1 3.26Å; E56-R87 IonicContact OE1-NH2 3.64Å
57R98.5Very high97.6Very high57 Ų5738.6 Ų38.622%0.21522%0.219CC..THydrogen-bonded Turntrans-99.410.4179.5-61.5-178.364.1-177.66.4113.5A53 F54 S55 A59 E60 F61 V148 D149 I152A53-R57 PolarHBondContact O-N 3.22Å; F54-R57 CarbonylContact O-C 3.56Å; F54-R57 PolarHBondContact O-N 3.34Å; S55-R57 PolarHBondContact O-N 3.49Å; R57-A59 PolarHBondContact O-N 2.97Å; R57-A59 VanDerWaalsContact O-N 3.12Å; R57-E60 WeakPolarHBondContact CG-OE1 3.4Å; R57-E60 IonicContact CZ-OE1 3.65Å; R57-E60 IonicContact CZ-OE2 2.77Å; R57-E60 IonicContact NE-OE1 3.78Å; R57-E60 PolarHBondContact NE-OE1 2.94Å; R57-E60 IonicContact NE-OE2 3.46Å; R57-E60 IonicContact NH2-OE1 2.77Å; R57-E60 IonicContact NH2-OE2 3.65Å; R57-E60 PolarHBondContact NH2-OE2 2.94Å; R57-E60 WeakPolarHBondContact O-CB 3.44Å; R57-E60 PolarHBondContact O-N 3.38Å; R57-F61 HydrophobicContact CB-CE2 4.48Å; R57-F61 WeakPolarHBondContact O-CD2 3.21Å; R57-V148 HydrophobicContact CB-CG1 4.25Å; R57-D149 IonicContact CZ-OD1 3.75Å; R57-D149 VanDerWaalsContact NH1-CG 3.3Å; R57-D149 IonicContact NH1-OD1 2.64Å; R57-D149 PolarHBondContact NH1-OD1 3.4Å; R57-D149 IonicContact NH1-OD2 3.12Å; R57-D149 IonicContact NH2-OD1 3.13Å; R57-D149 PolarHBondContact NH2-OD1 3.19Å; R57-D149 VanDerWaalsContact NH2-OD1 3.1Å; R57-I152 VanDerWaalsContact CZ-CD1 3.46Å
58A98.5Very high98.1Very high3 Ų338.8 Ų38.83%0.02522%0.22CC..Hα-helixtrans-55.8-34.6-177.400000112.7F54 S55 E60 F61 Q62 N96 I97F54-A58 WeakPolarHBondContact O-CA 3.43Å; F54-A58 PolarHBondContact O-N 2.86Å; S55-A58 VanDerWaalsContact O-CB 3.28Å; S55-A58 WeakPolarHBondContact O-CB 3.36Å; S55-A58 PolarHBondContact O-N 2.75Å; A58-E60 VanDerWaalsContact C-N 3.29Å; A58-E60 PolarHBondContact O-N 2.91Å; A58-F61 PolarHBondContact O-N 3.4Å; A58-Q62 VanDerWaalsContact O-CG 3.32Å; A58-Q62 WeakPolarHBondContact O-CG 3.45Å; A58-Q62 PolarHBondContact O-N 3.45Å; A58-N96 HydrophobicContact CB-CB 3.77Å; A58-I97 HydrophobicContact CB-CG2 3.82Å
59A98.5Very high98.3Very high68 Ų6838.2 Ų38.256%0.56222%0.216SC*.Hα-helixtrans-62.4-32.4176.800000113.3R57 F61 Q62 S63R57-A59 PolarHBondContact O-N 2.97Å; R57-A59 VanDerWaalsContact O-N 3.12Å; A59-F61 VanDerWaalsContact C-N 3.35Å; A59-Q62 PolarHBondContact O-N 3.13Å; A59-S63 WeakPolarHBondContact O-CB 3.33Å; A59-S63 PolarHBondContact O-N 2.75Å; A59-S63 PolarHBondContact O-OG 2.77Å
60E98.6Very high98.4Very high68 Ų6834.1 Ų34.132%0.31819%0.191SC..Hα-helixtrans-68.3-34.7176.2-66.9178.4-114.400111.9R57 A58 S63 R64 I152R57-E60 WeakPolarHBondContact CG-OE1 3.4Å; R57-E60 IonicContact CZ-OE1 3.65Å; R57-E60 IonicContact CZ-OE2 2.77Å; R57-E60 IonicContact NE-OE1 3.78Å; R57-E60 PolarHBondContact NE-OE1 2.94Å; R57-E60 IonicContact NE-OE2 3.46Å; R57-E60 IonicContact NH2-OE1 2.77Å; R57-E60 IonicContact NH2-OE2 3.65Å; R57-E60 PolarHBondContact NH2-OE2 2.94Å; R57-E60 WeakPolarHBondContact O-CB 3.44Å; R57-E60 PolarHBondContact O-N 3.38Å; A58-E60 VanDerWaalsContact C-N 3.29Å; A58-E60 PolarHBondContact O-N 2.91Å; E60-S63 PolarHBondContact O-OG 2.78Å; E60-R64 WeakPolarHBondContact O-CD 3.32Å; E60-R64 PolarHBondContact O-NH1 2.61Å; E60-I152 HydrophobicContact CB-CD1 4.3Å
61F98.8Very high98.5Very high1 Ų133.8 Ų33.80%0.00419%0.189CC..Hα-helixtrans-72.6-44.2173.5-66.1-86.1000111L35 F54 R57 A58 A59 S63 R64 G65 C66 V68 V148 A151 I152 L155L35-F61 HydrophobicContact CD2-CD1 4.4Å; L35-F61 HydrophobicContact CD2-CE1 3.76Å; L35-F61 HydrophobicContact CD2-CZ 4.15Å; F54-F61 AromaticContact CD1-CE2 3.89Å; F54-F61 HydrophobicContact CD1-CE2 3.89Å; F54-F61 AromaticContact CD1-CZ 3.83Å; F54-F61 HydrophobicContact CD1-CZ 3.83Å; F54-F61 HydrophobicContact CE1-CE2 4.33Å; F54-F61 AromaticContact CE1-CZ 3.8Å; F54-F61 HydrophobicContact CE1-CZ 3.8Å; R57-F61 HydrophobicContact CB-CE2 4.48Å; R57-F61 WeakPolarHBondContact O-CD2 3.21Å; A58-F61 PolarHBondContact O-N 3.4Å; A59-F61 VanDerWaalsContact C-N 3.35Å; F61-S63 VanDerWaalsContact C-N 3.34Å; F61-S63 PolarHBondContact O-N 3.17Å; F61-R64 WeakPolarHBondContact O-CB 3.45Å; F61-R64 PolarHBondContact O-N 3.4Å; F61-R64 VanDerWaalsContact O-N 3.08Å; F61-G65 PolarHBondContact O-N 3.03Å; F61-C66 CarbonylContact C-O 3.51Å; F61-C66 VanDerWaalsContact C-O 3.26Å; F61-C66 HydrophobicContact CB-CB 4.11Å; F61-C66 WeakPolarHBondContact O-CB 3.33Å; F61-C66 PolarHBondContact O-N 3.47Å; F61-V68 HydrophobicContact CB-CG2 3.73Å; F61-V68 HydrophobicContact CD1-CG2 3.77Å; F61-V68 HydrophobicContact CD2-CG2 3.58Å; F61-V68 HydrophobicContact CE1-CG2 4.28Å; F61-V68 HydrophobicContact CE2-CG2 4.1Å; F61-V68 HydrophobicContact CG-CG2 3.4Å; F61-V68 VanDerWaalsContact CG-CG2 3.4Å; F61-V68 HydrophobicContact CZ-CG2 4.42Å; F61-V148 HydrophobicContact CE2-CG1 3.86Å; F61-V148 HydrophobicContact CZ-CG1 3.86Å; F61-A151 HydrophobicContact CE1-CB 4.35Å; F61-A151 HydrophobicContact CZ-CB 4.34Å; F61-I152 HydrophobicContact CD1-CG1 4.39Å; F61-I152 HydrophobicContact CE1-CG1 3.68Å; F61-I152 HydrophobicContact CE2-CD1 4.08Å; F61-I152 HydrophobicContact CE2-CG1 4.02Å; F61-I152 HydrophobicContact CZ-CD1 3.97Å; F61-I152 HydrophobicContact CZ-CG1 3.46Å; F61-I152 VanDerWaalsContact CZ-CG1 3.46Å; F61-L155 HydrophobicContact CD1-CD2 3.82Å; F61-L155 HydrophobicContact CE1-CD2 4.46Å
62Q98.4Very high98.5Very high107 Ų10733.8 Ų33.850%0.519%0.189SC..Hα-helixtrans-61.2-40.4-179.7-71.4171.512.100112.3A58 A59 R64 G65 C66A58-Q62 VanDerWaalsContact O-CG 3.32Å; A58-Q62 WeakPolarHBondContact O-CG 3.45Å; A58-Q62 PolarHBondContact O-N 3.45Å; A59-Q62 PolarHBondContact O-N 3.13Å; Q62-R64 PolarHBondContact O-N 3.08Å; Q62-G65 PolarHBondContact O-N 3.32Å; Q62-C66 PolarHBondContact N-O 3.22Å
63S98.4Very high98.6Very high94 Ų9432.8 Ų32.866%0.65718%0.184SC*.THydrogen-bonded Turntrans-63.9-20.8177.568.50000113.6A59 E60 F61A59-S63 WeakPolarHBondContact O-CB 3.33Å; A59-S63 PolarHBondContact O-N 2.75Å; A59-S63 PolarHBondContact O-OG 2.77Å; E60-S63 PolarHBondContact O-OG 2.78Å; F61-S63 VanDerWaalsContact C-N 3.34Å; F61-S63 PolarHBondContact O-N 3.17Å
64R98.2Very high98.6Very high67 Ų6732.5 Ų32.525%0.25318%0.178SC..THydrogen-bonded Turntrans-92.40.4174.1-67.7165.4171.680.8-4.2113.3E60 F61 Q62 L155 D156 I159E60-R64 WeakPolarHBondContact O-CD 3.32Å; E60-R64 PolarHBondContact O-NH1 2.61Å; F61-R64 WeakPolarHBondContact O-CB 3.45Å; F61-R64 PolarHBondContact O-N 3.4Å; F61-R64 VanDerWaalsContact O-N 3.08Å; Q62-R64 PolarHBondContact O-N 3.08Å; R64-L155 HydrophobicContact CB-CD2 3.96Å; R64-D156 VanDerWaalsContact CD-OD1 3.28Å; R64-D156 WeakPolarHBondContact CD-OD1 3.42Å; R64-D156 IonicContact CZ-OD1 3.54Å; R64-D156 IonicContact CZ-OD2 3.36Å; R64-D156 IonicContact NE-OD1 3.58Å; R64-D156 PolarHBondContact NE-OD1 3.21Å; R64-D156 IonicContact NE-OD2 3.1Å; R64-D156 PolarHBondContact NE-OD2 3.2Å; R64-D156 IonicContact NH2-OD1 2.77Å; R64-D156 IonicContact NH2-OD2 2.72Å; R64-D156 PolarHBondContact NH2-OD2 3.11Å; R64-I159 HydrophobicContact CB-CD1 3.78Å; R64-I159 HydrophobicContact CG-CD1 4.37Å
65G98.3Very high98.6Very high28 Ų2834.1 Ų34.129%0.28919%0.19SC..THydrogen-bonded Turntrans73.832.7-174.300000113.2K32 Y33 F61 Q62K32-G65 WeakPolarHBondContact CA-O 3.43Å; K32-G65 WeakPolarHBondContact CB-O 3.49Å; Y33-G65 PolarHBondContact N-O 2.83Å; F61-G65 PolarHBondContact O-N 3.03Å; Q62-G65 PolarHBondContact O-N 3.32Å
66C98.8Very high98.6Very high3 Ų334.8 Ų34.82%0.0219%0.194CC..EExtended strand (participates in β ladder)trans-113.7132.1176.9-175.60000111.8Y33 F61 Q62 L155Y33-C66 CarbonylContact O-C 3.24Å; Y33-C66 VanDerWaalsContact O-CA 3.31Å; Y33-C66 WeakPolarHBondContact O-CA 3.37Å; F61-C66 CarbonylContact C-O 3.51Å; F61-C66 VanDerWaalsContact C-O 3.26Å; F61-C66 HydrophobicContact CB-CB 4.11Å; F61-C66 WeakPolarHBondContact O-CB 3.33Å; F61-C66 PolarHBondContact O-N 3.47Å; Q62-C66 PolarHBondContact N-O 3.22Å; C66-L155 HydrophobicContact CB-CD1 4.05Å; C66-L155 HydrophobicContact CB-CD2 3.53Å; C66-L155 HydrophobicContact CB-CG 4.47Å
67Q98.6Very high98.6Very high33 Ų3337.5 Ų37.515%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-96.9122.5169.4178.266.857.600109.8F29 Y33 V34 L35 I69 P98F29-Q67 HydrophobicContact CD1-CB 3.98Å; F29-Q67 HydrophobicContact CD1-CG 3.98Å; F29-Q67 HydrophobicContact CE1-CB 4.07Å; F29-Q67 HydrophobicContact CE1-CG 3.55Å; F29-Q67 HydrophobicContact CZ-CG 3.94Å; Y33-Q67 PolarHBondContact O-N 2.94Å; V34-Q67 CarbonylContact C-O 3.46Å; V34-Q67 VanDerWaalsContact CA-O 3.32Å; V34-Q67 WeakPolarHBondContact CA-O 3.5Å; L35-Q67 PolarHBondContact N-O 3.35Å; Q67-I69 HydrophobicContact CG-CD1 4.24Å; Q67-I69 HydrophobicContact CG-CG1 3.81Å; Q67-P98 VanDerWaalsContact NE2-CD 3.32Å
68V98.8Very high98.6Very high3 Ų335.9 Ų35.92%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-87.5133.9168.5-174.60000109.2L35 V37 F54 F61 I97 P98L35-V68 HydrophobicContact CB-CG2 4.26Å; L35-V68 HydrophobicContact CD2-CG1 4.4Å; L35-V68 HydrophobicContact CD2-CG2 4.26Å; L35-V68 WeakPolarHBondContact O-CA 3.28Å; V37-V68 HydrophobicContact CG2-CG1 4.13Å; F54-V68 HydrophobicContact CB-CG1 4.25Å; F54-V68 HydrophobicContact CD1-CG1 4.19Å; F54-V68 HydrophobicContact CG-CG1 4.36Å; F61-V68 HydrophobicContact CB-CG2 3.73Å; F61-V68 HydrophobicContact CD1-CG2 3.77Å; F61-V68 HydrophobicContact CD2-CG2 3.58Å; F61-V68 HydrophobicContact CE1-CG2 4.28Å; F61-V68 HydrophobicContact CE2-CG2 4.1Å; F61-V68 HydrophobicContact CG-CG2 3.4Å; F61-V68 VanDerWaalsContact CG-CG2 3.4Å; F61-V68 HydrophobicContact CZ-CG2 4.42Å; V68-I97 HydrophobicContact CB-CG2 3.79Å; V68-I97 HydrophobicContact CG1-CD1 4.3Å; V68-I97 HydrophobicContact CG1-CG2 4.1Å; V68-P98 VanDerWaalsContact O-CD 3.28Å; V68-P98 WeakPolarHBondContact O-CD 3.22Å
69I98.9Very high98.6Very high0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans-131.5124.8177.2-55.6172.7000107.3F11 I24 F29 V34 L35 L36 V37 Q67 P98 L100F11-I69 HydrophobicContact CZ-CD1 4.03Å; I24-I69 HydrophobicContact CD1-CG2 4.08Å; F29-I69 HydrophobicContact CD2-CD1 3.91Å; F29-I69 HydrophobicContact CE2-CD1 3.33Å; F29-I69 HydrophobicContact CE2-CG1 4.47Å; F29-I69 HydrophobicContact CZ-CD1 3.82Å; V34-I69 HydrophobicContact CG1-CD1 3.78Å; V34-I69 HydrophobicContact CG1-CG1 4.33Å; L35-I69 PolarHBondContact O-N 3.02Å; L36-I69 WeakPolarHBondContact CA-O 3.39Å; L36-I69 HydrophobicContact CD1-CB 4.04Å; L36-I69 HydrophobicContact CD1-CG2 3.97Å; V37-I69 PolarHBondContact N-O 2.92Å; Q67-I69 HydrophobicContact CG-CD1 4.24Å; Q67-I69 HydrophobicContact CG-CG1 3.81Å; I69-P98 HydrophobicContact CG2-CB 4.47Å; I69-L100 HydrophobicContact CG2-CB 4.01Å; I69-L100 HydrophobicContact CG2-CD2 4.37Å
70A98.8Very high98.6Very high0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-93146.2171.800000110.4V37 Y39 L51 I97 P98 L99 L100V37-A70 CarbonylContact O-C 3.59Å; V37-A70 VanDerWaalsContact O-CA 3.27Å; V37-A70 WeakPolarHBondContact O-CA 3.32Å; Y39-A70 HydrophobicContact CD1-CB 4.35Å; Y39-A70 HydrophobicContact CE1-CB 4Å; L51-A70 HydrophobicContact CD2-CB 3.42Å; L51-A70 VanDerWaalsContact CD2-CB 3.42Å; A70-I97 HydrophobicContact CB-CD1 4.16Å; A70-P98 PolarHBondContact N-O 2.8Å; A70-L99 HydrophobicContact CB-CD2 3.75Å; A70-L100 WeakPolarHBondContact O-CB 3.38Å; A70-L100 PolarHBondContact O-N 2.91Å
71C98.9Very high98.6Very high0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-141.6137.1179.8-172.50000112.1L36 V37 F38 Y39 L100L36-C71 HydrophobicContact CD1-CB 4.17Å; V37-C71 PolarHBondContact O-N 2.84Å; F38-C71 CarbonylContact C-O 3.48Å; F38-C71 WeakPolarHBondContact CA-O 3.33Å; F38-C71 HydrophobicContact CD1-CB 3.96Å; F38-C71 HydrophobicContact CE1-CB 4.05Å; Y39-C71 WeakPolarHBondContact CD1-O 3.14Å; Y39-C71 VanDerWaalsContact CE1-C 3.5Å; Y39-C71 WeakPolarHBondContact CE1-O 3.22Å; Y39-C71 PolarHBondContact N-O 3.49Å; C71-L100 VanDerWaalsContact CA-O 3.28Å; C71-L100 WeakPolarHBondContact CA-O 3.38Å; C71-L100 HydrophobicContact CB-CB 4.14Å; C71-L100 HydrophobicContact CB-CD2 4.49Å; C71-L100 PolarHBondContact SG-O 2.99Å; C71-L100 VanDerWaalsContact SG-O 3.37Å
72S98.8Very high98.5Very high0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-141.6178.1165.281.90000110.4Y39 D74 H79 L100 D102Y39-S72 WeakPolarHBondContact O-CB 3Å; S72-D74 PolarHBondContact O-N 2.99Å; S72-D74 WeakPolarHBondContact OG-CB 3.38Å; S72-D74 PolarHBondContact OG-N 3.36Å; S72-D74 PolarHBondContact OG-OD2 3.28Å; S72-H79 PolarHBondContact OG-CE1 3.39Å; S72-H79 VanDerWaalsContact OG-CE1 3.29Å; S72-L100 PolarHBondContact N-O 2.81Å; S72-D102 WeakPolarHBondContact O-CB 3.49Å; S72-D102 PolarHBondContact O-N 3.33Å
73T98.7Very high98.5Very high5 Ų528.7 Ų28.73%0.03116%0.164CC..SBendtrans-84.54.7179.163.30000113.2K103 L105 L114 G119T73-K103 PolarHBondContact O-NZ 3.42Å; T73-L105 VanDerWaalsContact CB-CD2 3.45Å; T73-L105 HydrophobicContact CG2-CD2 3.36Å; T73-L114 HydrophobicContact CG2-CD1 4.22Å; T73-G119 PolarHBondContact OG1-O 2.93Å
74D98.8Very high98.4Very high28 Ų2831.6 Ų31.615%0.1517%0.165CC..SBendtrans-71.4163.9173.9-63.8-73.3000112L41 D42 S72 A78 S101L41-D74 WeakPolarHBondContact CA-OD2 3.42Å; D42-D74 HydrophobicContact CB-CB 4.37Å; D42-D74 PolarHBondContact N-OD2 2.75Å; S72-D74 PolarHBondContact O-N 2.99Å; S72-D74 WeakPolarHBondContact OG-CB 3.38Å; S72-D74 PolarHBondContact OG-N 3.36Å; S72-D74 PolarHBondContact OG-OD2 3.28Å; D74-A78 HydrophobicContact CB-CB 4.16Å; D74-S101 WeakPolarHBondContact O-CB 3.36Å; D74-S101 PolarHBondContact O-OG 2.68Å; D74-S101 VanDerWaalsContact O-OG 3.12Å
75S98.5Very high98.4Very high36 Ų3631.3 Ų31.325%0.25217%0.168SC..  trans-82.4156.1175.774.10000111.3Y77 A78 H79S75-Y77 PolarHBondContact O-N 3.41Å; S75-Y77 VanDerWaalsContact O-N 3.07Å; S75-Y77 PolarHBondContact OG-N 2.85Å; S75-A78 WeakPolarHBondContact O-CB 3.45Å; S75-A78 PolarHBondContact O-N 2.93Å; S75-A78 PolarHBondContact OG-N 3.42Å; S75-H79 PolarHBondContact O-N 3.21Å; S75-H79 VanDerWaalsContact O-N 3.08Å
76V98.4Very high98.3Very high14 Ų1434.6 Ų34.69%0.08518%0.179CC..Hα-helixtrans-56.1-25.8171.6-660000114.2T14 V16 L21 L80T14-V76 HydrophobicContact CG2-CG1 3.84Å; T14-V76 VanDerWaalsContact O-CG1 3.26Å; T14-V76 WeakPolarHBondContact O-CG1 3.45Å; V16-V76 HydrophobicContact CG2-CB 4.36Å; V16-V76 WeakPolarHBondContact CG2-O 3.45Å; L21-V76 HydrophobicContact CD1-CB 4.5Å; L21-V76 HydrophobicContact CD1-CG2 3.9Å; L21-V76 HydrophobicContact CD2-CB 3.87Å; L21-V76 HydrophobicContact CD2-CG2 4.21Å; V76-L80 WeakPolarHBondContact O-CB 3.17Å; V76-L80 PolarHBondContact O-N 2.97Å
77Y98.4Very high98.2Very high172 Ų17238.8 Ų38.868%0.67519%0.194SC*.Hα-helixtrans-73.8-36.9176.5-54.9-68.5000112L21 S75 A81L21-Y77 HydrophobicContact CD1-CE1 4.26Å; S75-Y77 PolarHBondContact O-N 3.41Å; S75-Y77 VanDerWaalsContact O-N 3.07Å; S75-Y77 PolarHBondContact OG-N 2.85Å; Y77-A81 WeakPolarHBondContact O-CB 3.4Å; Y77-A81 PolarHBondContact O-N 3.19Å
78A98.4Very high98Very high24 Ų2447 Ų4720%0.19823%0.23CC..Hα-helixtrans-65-47.7173.100000110D42 F43 D74 S75 L80 A81 W82D42-A78 WeakPolarHBondContact OD2-CB 3.36Å; F43-A78 HydrophobicContact CE2-CB 4.43Å; D74-A78 HydrophobicContact CB-CB 4.16Å; S75-A78 WeakPolarHBondContact O-CB 3.45Å; S75-A78 PolarHBondContact O-N 2.93Å; S75-A78 PolarHBondContact OG-N 3.42Å; A78-L80 PolarHBondContact O-N 3.02Å; A78-A81 WeakPolarHBondContact O-CB 3.43Å; A78-A81 PolarHBondContact O-N 3.04Å; A78-A81 VanDerWaalsContact O-N 3.13Å; A78-W82 WeakPolarHBondContact O-CB 3.4Å; A78-W82 PolarHBondContact O-N 3.41Å
79H98.5Very high97.9Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-54.5-50.2174.8-66.6-17.8000111.8V16 Y39 D42 S72 S75 A81 W82 T83 L99 L100V16-H79 HydrophobicContact CB-CB 4.4Å; V16-H79 HydrophobicContact CG2-CB 3.59Å; Y39-H79 PolarHBondContact OH-CE1 2.78Å; Y39-H79 PolarHBondContact OH-ND1 2.67Å; D42-H79 VanDerWaalsContact CG-ND1 3.32Å; D42-H79 IonicContact OD1-CE1 3.28Å; D42-H79 PolarHBondContact OD1-CE1 3.24Å; D42-H79 IonicContact OD1-ND1 2.77Å; D42-H79 PolarHBondContact OD1-ND1 2.9Å; D42-H79 VanDerWaalsContact OD1-ND1 3.12Å; D42-H79 WeakPolarHBondContact OD2-CA 3.39Å; D42-H79 IonicContact OD2-CE1 3.4Å; D42-H79 IonicContact OD2-CG 3.52Å; D42-H79 PolarHBondContact OD2-N 3.34Å; D42-H79 IonicContact OD2-ND1 3.57Å; D42-H79 PolarHBondContact OD2-ND1 3.15Å; S72-H79 PolarHBondContact OG-CE1 3.39Å; S72-H79 VanDerWaalsContact OG-CE1 3.29Å; S75-H79 PolarHBondContact O-N 3.21Å; S75-H79 VanDerWaalsContact O-N 3.08Å; H79-A81 VanDerWaalsContact C-N 3.32Å; H79-A81 PolarHBondContact O-N 2.85Å; H79-W82 PolarHBondContact O-N 2.77Å; H79-W82 VanDerWaalsContact O-N 3.11Å; H79-T83 WeakPolarHBondContact O-CG2 3.33Å; H79-T83 PolarHBondContact O-N 3.01Å; H79-L99 HydrophobicContact CB-CB 4.18Å; H79-L99 HydrophobicContact CB-CD1 4.15Å; H79-L99 PolarHBondContact CD2-O 2.87Å; H79-L100 PolarHBondContact NE2-O 3.36Å
80L98.3Very high97.7Very high28 Ų2851.6 Ų51.615%0.14727%0.272CS..Hα-helixtrans-65.7-33.9-179.1-178.961.7000112.4V16 V76 A78 W82 T83 K84V16-L80 HydrophobicContact CG1-CD1 4.12Å; V16-L80 HydrophobicContact CG2-CB 4.11Å; V76-L80 WeakPolarHBondContact O-CB 3.17Å; V76-L80 PolarHBondContact O-N 2.97Å; A78-L80 PolarHBondContact O-N 3.02Å; L80-W82 VanDerWaalsContact C-N 3.34Å; L80-T83 PolarHBondContact O-OG1 3.14Å; L80-T83 VanDerWaalsContact O-OG1 3.07Å; L80-K84 WeakPolarHBondContact O-CD 3.43Å; L80-K84 VanDerWaalsContact O-CG 3.3Å; L80-K84 WeakPolarHBondContact O-CG 3.3Å; L80-K84 PolarHBondContact O-N 2.93Å
81A98.3Very high97.6Very high50 Ų5051.6 Ų51.641%0.41327%0.272SS..Hα-helixtrans-67.2-39.2172.700000111F43 Y77 A78 H79 K84 L85F43-A81 HydrophobicContact CZ-CB 4.14Å; Y77-A81 WeakPolarHBondContact O-CB 3.4Å; Y77-A81 PolarHBondContact O-N 3.19Å; A78-A81 WeakPolarHBondContact O-CB 3.43Å; A78-A81 PolarHBondContact O-N 3.04Å; A78-A81 VanDerWaalsContact O-N 3.13Å; H79-A81 VanDerWaalsContact C-N 3.32Å; H79-A81 PolarHBondContact O-N 2.85Å; A81-K84 PolarHBondContact O-N 3.26Å; A81-L85 PolarHBondContact O-N 2.93Å
82W98Very high97.6Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-71.3-33.8-177.8-160.125.7000113.3Y39 D42 F43 C47 P48 L51 A78 H79 L80 K84 L85 G90 L92Y39-W82 HydrophobicContact CE2-CH2 4.45Å; Y39-W82 AromaticContact CE2-CZ3 3.75Å; Y39-W82 HydrophobicContact CE2-CZ3 3.75Å; D42-W82 HydrophobicContact CB-CD2 4.17Å; D42-W82 HydrophobicContact CB-CE3 3.74Å; D42-W82 HydrophobicContact CB-CZ3 4.14Å; D42-W82 VanDerWaalsContact CG-CE3 3.47Å; D42-W82 WeakPolarHBondContact OD1-CZ3 3.45Å; F43-W82 AromaticContact CD1-CD1 3.44Å; F43-W82 VanDerWaalsContact CD1-CD1 3.44Å; F43-W82 HydrophobicContact CD1-CG 4.04Å; F43-W82 AromaticContact CD1-NE1 3.9Å; F43-W82 HydrophobicContact CE1-CB 3.85Å; F43-W82 AromaticContact CE1-CD1 3.4Å; F43-W82 VanDerWaalsContact CE1-CD1 3.4Å; F43-W82 AromaticContact CE1-CG 3.82Å; F43-W82 HydrophobicContact CE1-CG 3.82Å; F43-W82 HydrophobicContact CE2-CB 3.98Å; F43-W82 HydrophobicContact CE2-CG 4.28Å; F43-W82 HydrophobicContact CG-CG 4.39Å; F43-W82 HydrophobicContact CZ-CB 3.54Å; F43-W82 AromaticContact CZ-CG 3.94Å; F43-W82 HydrophobicContact CZ-CG 3.94Å; F43-W82 VanDerWaalsContact N-CE2 3.34Å; C47-W82 HydrophobicContact CB-CH2 3.9Å; P48-W82 HydrophobicContact CB-CH2 4.14Å; P48-W82 HydrophobicContact CB-CZ2 3.61Å; P48-W82 HydrophobicContact CG-CH2 4.46Å; P48-W82 HydrophobicContact CG-CZ2 3.86Å; L51-W82 HydrophobicContact CD1-CH2 4.22Å; L51-W82 HydrophobicContact CD1-CZ3 3.73Å; A78-W82 WeakPolarHBondContact O-CB 3.4Å; A78-W82 PolarHBondContact O-N 3.41Å; H79-W82 PolarHBondContact O-N 2.77Å; H79-W82 VanDerWaalsContact O-N 3.11Å; L80-W82 VanDerWaalsContact C-N 3.34Å; W82-K84 VanDerWaalsContact C-N 3.26Å; W82-K84 PolarHBondContact O-N 2.81Å; W82-L85 PolarHBondContact O-N 3.32Å; W82-G90 PolarHBondContact NE1-O 3.46Å; W82-L92 HydrophobicContact CD2-CD1 3.79Å; W82-L92 HydrophobicContact CD2-CD2 4.12Å; W82-L92 HydrophobicContact CD2-CG 3.58Å; W82-L92 HydrophobicContact CE3-CD1 3.44Å; W82-L92 VanDerWaalsContact CE3-CD1 3.44Å; W82-L92 HydrophobicContact CE3-CD2 4.13Å; W82-L92 HydrophobicContact CE3-CG 3.73Å; W82-L92 HydrophobicContact CG-CD1 4.29Å; W82-L92 HydrophobicContact CG-CG 4Å; W82-L92 HydrophobicContact CH2-CD2 3.89Å; W82-L92 HydrophobicContact CH2-CG 4.39Å; W82-L92 HydrophobicContact CZ2-CD2 3.9Å; W82-L92 HydrophobicContact CZ2-CG 4.28Å; W82-L92 HydrophobicContact CZ3-CD1 3.87Å; W82-L92 HydrophobicContact CZ3-CD2 3.99Å; W82-L92 HydrophobicContact CZ3-CG 4.12Å; W82-L92 PolarHBondContact O-N 2.83Å; W82-L92 VanDerWaalsContact O-N 3.1Å
83T97.9Very high97.5Very high18 Ų1852.4 Ų52.411%0.1128%0.28CS..Hα-helixtrans-68.9-22.717261.40000113.5H79 L80 L92 G93 M95 L99H79-T83 WeakPolarHBondContact O-CG2 3.33Å; H79-T83 PolarHBondContact O-N 3.01Å; L80-T83 PolarHBondContact O-OG1 3.14Å; L80-T83 VanDerWaalsContact O-OG1 3.07Å; T83-L92 HydrophobicContact CG2-CD1 4.25Å; T83-G93 CarbonylContact O-C 3.58Å; T83-G93 VanDerWaalsContact O-C 3.24Å; T83-G93 VanDerWaalsContact O-CA 3.28Å; T83-G93 WeakPolarHBondContact O-CA 3.42Å; T83-G93 VanDerWaalsContact O-O 3.06Å; T83-M95 HydrophobicContact CG2-CG 3.85Å; T83-L99 HydrophobicContact CG2-CD1 3.6Å
84K97Very high97.3Very high154 Ų15459.7 Ų59.767%0.6731%0.314SS*.Hα-helixtrans-82.1-17.3174.7-69.4171.8-177.6179.20113.2L80 A81 W82L80-K84 WeakPolarHBondContact O-CD 3.43Å; L80-K84 VanDerWaalsContact O-CG 3.3Å; L80-K84 WeakPolarHBondContact O-CG 3.3Å; L80-K84 PolarHBondContact O-N 2.93Å; A81-K84 PolarHBondContact O-N 3.26Å; W82-K84 VanDerWaalsContact C-N 3.26Å; W82-K84 PolarHBondContact O-N 2.81Å
85L96.6Very high97.3Very high62 Ų6259.1 Ų59.133%0.32531%0.31SS..SBendtrans-80.7138.4178.4-174.464.6000110.4F43 A81 W82 A89 G91 G93F43-L85 HydrophobicContact CD1-CD2 4.29Å; F43-L85 HydrophobicContact CE1-CD2 4.18Å; A81-L85 PolarHBondContact O-N 2.93Å; W82-L85 PolarHBondContact O-N 3.32Å; L85-A89 HydrophobicContact CD1-CB 3.88Å; L85-A89 HydrophobicContact CG-CB 4.16Å; L85-G91 WeakPolarHBondContact O-CA 3.5Å; L85-G93 PolarHBondContact O-N 2.86Å; L85-G93 VanDerWaalsContact O-N 3.16Å
86D96.3Very high97.3Very high96 Ų9661.4 Ų61.451%0.51332%0.32SS..  trans-67.7143.7178.3-170.6-82.8000111.4K88 A89 G90 G91D86-K88 VanDerWaalsContact C-N 3.25Å; D86-K88 PolarHBondContact O-N 3.3Å; D86-K88 WeakPolarHBondContact OD1-CA 3.27Å; D86-K88 WeakPolarHBondContact OD1-CB 3.25Å; D86-K88 WeakPolarHBondContact OD1-CG 3.48Å; D86-K88 PolarHBondContact OD1-N 2.86Å; D86-A89 CarbonylContact O-C 3.58Å; D86-A89 WeakPolarHBondContact O-CA 3.37Å; D86-A89 WeakPolarHBondContact O-CB 3.44Å; D86-A89 PolarHBondContact O-N 2.74Å; D86-G90 PolarHBondContact O-N 2.94Å; D86-G91 WeakPolarHBondContact O-CA 3.38Å; D86-G91 PolarHBondContact O-N 2.92Å
87R96.6Very high97.3Very high91 Ų9161 Ų6134%0.34332%0.317SS..G310 helixtrans-59.8-33.9179.8-65.7-179.7178.5-177.80.1113.1I52 E56 A89 G90 G91 L92I52-R87 HydrophobicContact CD1-CB 4.5Å; I52-R87 HydrophobicContact CD1-CG 3.88Å; E56-R87 IonicContact OE1-CZ 2.76Å; E56-R87 IonicContact OE1-NH1 3.86Å; E56-R87 PolarHBondContact OE1-NH1 3.26Å; E56-R87 IonicContact OE1-NH2 3.64Å; R87-A89 PolarHBondContact O-N 3.11Å; R87-G90 PolarHBondContact O-N 2.59Å; R87-G91 WeakPolarHBondContact CA-O 3.43Å; R87-L92 WeakPolarHBondContact CG-O 3.35Å; R87-L92 PolarHBondContact NE-O 3.48Å
88K95.7Very high97.3Very high205 Ų20553.2 Ų53.289%0.89129%0.287SS*.G310 helixtrans-65.2-22.5175-62.4177.4179.2177.40112.5D86D86-K88 VanDerWaalsContact C-N 3.25Å; D86-K88 PolarHBondContact O-N 3.3Å; D86-K88 WeakPolarHBondContact OD1-CA 3.27Å; D86-K88 WeakPolarHBondContact OD1-CB 3.25Å; D86-K88 WeakPolarHBondContact OD1-CG 3.48Å; D86-K88 PolarHBondContact OD1-N 2.86Å
89A95.7Very high97.3Very high65 Ų6552.1 Ų52.154%0.53728%0.278SS..G310 helixtrans-97.713.4174.500000112.8L85 D86 R87L85-A89 HydrophobicContact CD1-CB 3.88Å; L85-A89 HydrophobicContact CG-CB 4.16Å; D86-A89 CarbonylContact O-C 3.58Å; D86-A89 WeakPolarHBondContact O-CA 3.37Å; D86-A89 WeakPolarHBondContact O-CB 3.44Å; D86-A89 PolarHBondContact O-N 2.74Å; R87-A89 PolarHBondContact O-N 3.11Å
90G95.5Very high97.3Very high36 Ų3652.1 Ų52.137%0.37128%0.278SS..THydrogen-bonded Turntrans81.412.8-177.900000114.6W82 D86 R87W82-G90 PolarHBondContact NE1-O 3.46Å; D86-G90 PolarHBondContact O-N 2.94Å; R87-G90 PolarHBondContact O-N 2.59Å
91G97.2Very high97.3Very high0 Ų051.7 Ų51.70%028%0.277CS..  trans-81178.4172.700000114L85 D86 R87L85-G91 WeakPolarHBondContact O-CA 3.5Å; D86-G91 WeakPolarHBondContact O-CA 3.38Å; D86-G91 PolarHBondContact O-N 2.92Å; R87-G91 WeakPolarHBondContact CA-O 3.43Å
92L97.5Very high97.4Very high0 Ų049.3 Ų49.30%026%0.258CS..  trans-93.2-30176-61.8-178.5000112.8P48 L51 I52 W82 T83 R87 M95 L99P48-L92 HydrophobicContact CB-CD2 3.83Å; L51-L92 HydrophobicContact CB-CD2 4.02Å; L51-L92 HydrophobicContact CD1-CD1 4.04Å; L51-L92 HydrophobicContact CD1-CD2 4.13Å; I52-L92 HydrophobicContact CG1-CD2 4.39Å; W82-L92 HydrophobicContact CD2-CD1 3.79Å; W82-L92 HydrophobicContact CD2-CD2 4.12Å; W82-L92 HydrophobicContact CD2-CG 3.58Å; W82-L92 HydrophobicContact CE3-CD1 3.44Å; W82-L92 VanDerWaalsContact CE3-CD1 3.44Å; W82-L92 HydrophobicContact CE3-CD2 4.13Å; W82-L92 HydrophobicContact CE3-CG 3.73Å; W82-L92 HydrophobicContact CG-CD1 4.29Å; W82-L92 HydrophobicContact CG-CG 4Å; W82-L92 HydrophobicContact CH2-CD2 3.89Å; W82-L92 HydrophobicContact CH2-CG 4.39Å; W82-L92 HydrophobicContact CZ2-CD2 3.9Å; W82-L92 HydrophobicContact CZ2-CG 4.28Å; W82-L92 HydrophobicContact CZ3-CD1 3.87Å; W82-L92 HydrophobicContact CZ3-CD2 3.99Å; W82-L92 HydrophobicContact CZ3-CG 4.12Å; W82-L92 PolarHBondContact O-N 2.83Å; W82-L92 VanDerWaalsContact O-N 3.1Å; T83-L92 HydrophobicContact CG2-CD1 4.25Å; R87-L92 WeakPolarHBondContact CG-O 3.35Å; R87-L92 PolarHBondContact NE-O 3.48Å; L92-M95 HydrophobicContact CB-CG 4.03Å; L92-M95 HydrophobicContact CB-SD 3.77Å; L92-M95 HydrophobicContact CD1-CE 4.36Å; L92-M95 HydrophobicContact CD1-CG 4.27Å; L92-M95 HydrophobicContact CD1-SD 4.36Å; L92-L99 HydrophobicContact CD1-CD1 3.66Å
93G96.5Very high97.4Very high16 Ų1655.4 Ų55.417%0.16528%0.284CS..  trans61.9-153.5-164.300000112.3T83 L85 M95T83-G93 CarbonylContact O-C 3.58Å; T83-G93 VanDerWaalsContact O-C 3.24Å; T83-G93 VanDerWaalsContact O-CA 3.28Å; T83-G93 WeakPolarHBondContact O-CA 3.42Å; T83-G93 VanDerWaalsContact O-O 3.06Å; L85-G93 PolarHBondContact O-N 2.86Å; L85-G93 VanDerWaalsContact O-N 3.16Å; G93-M95 PolarHBondContact O-N 2.75Å
94Q96Very high97.4Very high159 Ų15959.1 Ų59.174%0.74330%0.304SS*.SBendtrans-64132.9177.7-175.7176.3-3.100111.5
95M97.9Very high97.4Very high15 Ų1553.8 Ų53.87%0.07428%0.282CS..  trans-115.6134.8-179-64.3-57.7-76.200112L51 S55 T83 L92 G93 I97 L99L51-M95 HydrophobicContact CB-CE 3.84Å; L51-M95 WeakPolarHBondContact O-CE 3.47Å; S55-M95 WeakPolarHBondContact OG-CA 3.39Å; T83-M95 HydrophobicContact CG2-CG 3.85Å; L92-M95 HydrophobicContact CB-CG 4.03Å; L92-M95 HydrophobicContact CB-SD 3.77Å; L92-M95 HydrophobicContact CD1-CE 4.36Å; L92-M95 HydrophobicContact CD1-CG 4.27Å; L92-M95 HydrophobicContact CD1-SD 4.36Å; G93-M95 PolarHBondContact O-N 2.75Å; M95-I97 HydrophobicContact CE-CD1 4.11Å; M95-I97 HydrophobicContact CE-CG1 3.9Å; M95-L99 HydrophobicContact CE-CD2 4.25Å
96N98.1Very high97.5Very high85 Ų8559.6 Ų59.646%0.45530%0.3SS..SBendtrans-98.65177-59-41.8000112.8S55 A58S55-N96 WeakPolarHBondContact O-CB 3.32Å; S55-N96 PolarHBondContact O-ND2 2.75Å; S55-N96 PolarHBondContact OG-N 2.94Å; A58-N96 HydrophobicContact CB-CB 3.77Å
97I98.4Very high97.6Very high6 Ų655.5 Ų55.53%0.03128%0.278CS..SBendtrans-125.9145.2178.660.7176.5000109.3F54 A58 V68 A70 M95F54-I97 HydrophobicContact CB-CD1 4.09Å; A58-I97 HydrophobicContact CB-CG2 3.82Å; V68-I97 HydrophobicContact CB-CG2 3.79Å; V68-I97 HydrophobicContact CG1-CD1 4.3Å; V68-I97 HydrophobicContact CG1-CG2 4.1Å; A70-I97 HydrophobicContact CB-CD1 4.16Å; M95-I97 HydrophobicContact CE-CD1 4.11Å; M95-I97 HydrophobicContact CE-CG1 3.9Å
98P98.6Very high97.7Very high7 Ų751.2 Ų51.25%0.04526%0.262CS..  trans-63141172.2-2234.4000112A15 V16 I17 I24 Q67 V68 I69 A70A15-P98 HydrophobicContact CB-CB 4.07Å; V16-P98 WeakPolarHBondContact O-CA 3.44Å; I17-P98 HydrophobicContact CD1-CB 4.24Å; I17-P98 HydrophobicContact CD1-CG 4.13Å; I17-P98 HydrophobicContact CG1-CB 3.9Å; I17-P98 HydrophobicContact CG1-CG 4.12Å; I24-P98 HydrophobicContact CD1-CB 4.29Å; Q67-P98 VanDerWaalsContact NE2-CD 3.32Å; V68-P98 VanDerWaalsContact O-CD 3.28Å; V68-P98 WeakPolarHBondContact O-CD 3.22Å; I69-P98 HydrophobicContact CG2-CB 4.47Å; A70-P98 PolarHBondContact N-O 2.8Å
99L98.8Very high97.9Very high1 Ų146.3 Ų46.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-107.499.7169.7-52.5-177.7000109.3A15 V16 L51 A70 H79 T83 L92 M95A15-L99 CarbonylContact C-O 3.55Å; A15-L99 WeakPolarHBondContact CA-O 3.4Å; A15-L99 WeakPolarHBondContact CB-O 3.33Å; V16-L99 HydrophobicContact CB-CB 4.33Å; V16-L99 PolarHBondContact N-O 2.9Å; V16-L99 PolarHBondContact O-N 3Å; L51-L99 HydrophobicContact CD1-CD2 4.29Å; A70-L99 HydrophobicContact CB-CD2 3.75Å; H79-L99 HydrophobicContact CB-CB 4.18Å; H79-L99 HydrophobicContact CB-CD1 4.15Å; H79-L99 PolarHBondContact CD2-O 2.87Å; T83-L99 HydrophobicContact CG2-CD1 3.6Å; L92-L99 HydrophobicContact CD1-CD1 3.66Å; M95-L99 HydrophobicContact CE-CD2 4.25Å
100L98.9Very high98Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-83.7127-177.8179.556.8000111.8F11 A15 I24 I69 A70 C71 S72 H79 I107F11-L100 HydrophobicContact CD2-CD2 3.7Å; F11-L100 HydrophobicContact CE2-CD2 3.69Å; F11-L100 HydrophobicContact CZ-CD2 4.47Å; A15-L100 HydrophobicContact CB-CB 4.36Å; A15-L100 HydrophobicContact CB-CD1 4.39Å; I24-L100 HydrophobicContact CD1-CB 4.17Å; I24-L100 HydrophobicContact CD1-CD1 3.96Å; I24-L100 HydrophobicContact CD1-CD2 4.27Å; I24-L100 HydrophobicContact CD1-CG 4.36Å; I24-L100 HydrophobicContact CG1-CD1 3.76Å; I69-L100 HydrophobicContact CG2-CB 4.01Å; I69-L100 HydrophobicContact CG2-CD2 4.37Å; A70-L100 WeakPolarHBondContact O-CB 3.38Å; A70-L100 PolarHBondContact O-N 2.91Å; C71-L100 VanDerWaalsContact CA-O 3.28Å; C71-L100 WeakPolarHBondContact CA-O 3.38Å; C71-L100 HydrophobicContact CB-CB 4.14Å; C71-L100 HydrophobicContact CB-CD2 4.49Å; C71-L100 PolarHBondContact SG-O 2.99Å; C71-L100 VanDerWaalsContact SG-O 3.37Å; S72-L100 PolarHBondContact N-O 2.81Å; H79-L100 PolarHBondContact NE2-O 3.36Å; L100-I107 HydrophobicContact CD2-CD1 3.86Å; L100-I107 HydrophobicContact CG-CD1 4.19Å
101S98.9Very high98.2Very high19 Ų1943.8 Ų43.813%0.13321%0.212CC..EExtended strand (participates in β ladder)trans-91.2119.7176.4140.50000111.2T14 D74T14-S101 PolarHBondContact O-N 3.37Å; D74-S101 WeakPolarHBondContact O-CB 3.36Å; D74-S101 PolarHBondContact O-OG 2.68Å; D74-S101 VanDerWaalsContact O-OG 3.12Å
102D98.8Very high98.2Very high1 Ų148.9 Ų48.91%0.00524%0.236CC..  trans-101.252.2170.7-177.935000111.3S72 N104 L105 R106 I107 S108S72-D102 WeakPolarHBondContact O-CB 3.49Å; S72-D102 PolarHBondContact O-N 3.33Å; D102-N104 PolarHBondContact O-N 2.83Å; D102-N104 VanDerWaalsContact O-N 3.08Å; D102-N104 PolarHBondContact OD1-OD1 3.01Å; D102-L105 PolarHBondContact O-N 2.87Å; D102-L105 WeakPolarHBondContact OD1-CA 3.34Å; D102-L105 PolarHBondContact OD1-N 3.45Å; D102-L105 WeakPolarHBondContact OD2-CA 3.43Å; D102-R106 PolarHBondContact OD1-N 3.05Å; D102-I107 HydrophobicContact CB-CB 4.08Å; D102-I107 HydrophobicContact CB-CD1 4.17Å; D102-I107 HydrophobicContact CB-CG1 4.29Å; D102-I107 WeakPolarHBondContact OD1-CG1 3.47Å; D102-I107 PolarHBondContact OD1-N 3.31Å; D102-I107 PolarHBondContact OD2-N 2.94Å; D102-S108 WeakPolarHBondContact OD2-CB 3.32Å; D102-S108 PolarHBondContact OD2-N 2.81Å; D102-S108 PolarHBondContact OD2-OG 2.78Å
103K98.2Very high98.2Very high128 Ų12849 Ų4956%0.55724%0.237SC*.THydrogen-bonded Turntrans-59.3-24.8-174.9-166.663.5-114.8157.30114T73T73-K103 PolarHBondContact O-NZ 3.42Å
104N97.6Very high98.3Very high96 Ų9649.1 Ų49.151%0.51323%0.234SC..THydrogen-bonded Turntrans-942.917866.720.7000113.5D102 R106D102-N104 PolarHBondContact O-N 2.83Å; D102-N104 VanDerWaalsContact O-N 3.08Å; D102-N104 PolarHBondContact OD1-OD1 3.01Å; N104-R106 HydrophobicContact CB-CG 4.43Å; N104-R106 PolarHBondContact O-N 2.76Å; N104-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 VanDerWaalsContact OD1-CB 3.27Å; N104-R106 WeakPolarHBondContact OD1-CB 3.27Å; N104-R106 WeakPolarHBondContact OD1-CG 3.46Å; N104-R106 PolarHBondContact OD1-N 3.34Å
105L98.5Very high98.4Very high42 Ų4242.7 Ų42.722%0.2220%0.204CC..SBendtrans63.211.5176.6-41.1179.4000114.3T73 D102 R109 L114 G119T73-L105 VanDerWaalsContact CB-CD2 3.45Å; T73-L105 HydrophobicContact CG2-CD2 3.36Å; D102-L105 PolarHBondContact O-N 2.87Å; D102-L105 WeakPolarHBondContact OD1-CA 3.34Å; D102-L105 PolarHBondContact OD1-N 3.45Å; D102-L105 WeakPolarHBondContact OD2-CA 3.43Å; L105-R109 WeakPolarHBondContact O-CB 3.1Å; L105-R109 PolarHBondContact O-N 3.26Å; L105-R109 PolarHBondContact O-NH1 3.39Å; L105-L114 HydrophobicContact CB-CD1 4.27Å; L105-L114 HydrophobicContact CB-CD2 3.83Å; L105-L114 HydrophobicContact CD1-CD1 4.5Å; L105-L114 HydrophobicContact CD1-CD2 4.36Å; L105-L114 HydrophobicContact CD2-CD1 4.27Å; L105-G119 WeakPolarHBondContact CD2-O 3.27Å
106R98.4Very high98.4Very high183 Ų18347.7 Ų47.769%0.69123%0.227SC*.Hα-helixtrans-74.5-39.2-175.1-70.3-177.8178.4-178.7-0.8111.1D102 N104 A110D102-R106 PolarHBondContact OD1-N 3.05Å; N104-R106 HydrophobicContact CB-CG 4.43Å; N104-R106 PolarHBondContact O-N 2.76Å; N104-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 VanDerWaalsContact OD1-CB 3.27Å; N104-R106 WeakPolarHBondContact OD1-CB 3.27Å; N104-R106 WeakPolarHBondContact OD1-CG 3.46Å; N104-R106 PolarHBondContact OD1-N 3.34Å; R106-A110 VanDerWaalsContact O-CB 3.22Å; R106-A110 WeakPolarHBondContact O-CB 3.27Å; R106-A110 PolarHBondContact O-N 2.97Å
107I98.8Very high98.4Very high11 Ų1152 Ų526%0.05625%0.245CC..Hα-helixtrans-70.5-50.8-176.1-50.6176.8000109.2F11 F38 L100 D102 R109 A110 Y111F11-I107 HydrophobicContact CB-CD1 4.03Å; F11-I107 HydrophobicContact CB-CG1 4Å; F11-I107 HydrophobicContact CB-CG2 3.88Å; F11-I107 HydrophobicContact CG-CG2 4.29Å; F38-I107 HydrophobicContact CE1-CG2 3.98Å; F38-I107 HydrophobicContact CZ-CG2 3.82Å; L100-I107 HydrophobicContact CD2-CD1 3.86Å; L100-I107 HydrophobicContact CG-CD1 4.19Å; D102-I107 HydrophobicContact CB-CB 4.08Å; D102-I107 HydrophobicContact CB-CD1 4.17Å; D102-I107 HydrophobicContact CB-CG1 4.29Å; D102-I107 WeakPolarHBondContact OD1-CG1 3.47Å; D102-I107 PolarHBondContact OD1-N 3.31Å; D102-I107 PolarHBondContact OD2-N 2.94Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 3.22Å; I107-A110 PolarHBondContact O-N 3.28Å; I107-A110 VanDerWaalsContact O-N 3.15Å; I107-Y111 HydrophobicContact CG2-CD2 4.04Å; I107-Y111 HydrophobicContact CG2-CE2 4.2Å; I107-Y111 WeakPolarHBondContact O-CD2 3.42Å; I107-Y111 PolarHBondContact O-N 3.28Å
108S98.8Very high98.3Very high0 Ų057.6 Ų57.60%027%0.271CS..Hα-helixtrans-60.2-38179.1-53.90000111.7D102 E112 V113 L114D102-S108 WeakPolarHBondContact OD2-CB 3.32Å; D102-S108 PolarHBondContact OD2-N 2.81Å; D102-S108 PolarHBondContact OD2-OG 2.78Å; S108-E112 PolarHBondContact O-N 3.46Å; S108-V113 WeakPolarHBondContact O-CG2 3.42Å; S108-V113 PolarHBondContact O-N 3.31Å; S108-L114 PolarHBondContact O-N 3.38Å; S108-L114 VanDerWaalsContact O-N 3.14Å
109R98.4Very high98.3Very high103 Ų10358.5 Ų58.539%0.38928%0.281SS..Hα-helixtrans-69.2-44.1175.3-174176.5-69.3104-5.5112L105 I107 Y111 E112 L114 E116L105-R109 WeakPolarHBondContact O-CB 3.1Å; L105-R109 PolarHBondContact O-N 3.26Å; L105-R109 PolarHBondContact O-NH1 3.39Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 3.22Å; R109-Y111 VanDerWaalsContact C-N 3.25Å; R109-Y111 PolarHBondContact O-N 3.21Å; R109-E112 PolarHBondContact O-N 3.43Å; R109-L114 HydrophobicContact CB-CB 4.37Å; R109-L114 HydrophobicContact CB-CD2 3.98Å; R109-L114 VanDerWaalsContact CZ-CD2 3.4Å; R109-E116 IonicContact CZ-OE1 3.03Å; R109-E116 IonicContact CZ-OE2 3.93Å; R109-E116 IonicContact NE-OE1 3.64Å; R109-E116 PolarHBondContact NE-OE1 3.37Å; R109-E116 IonicContact NE-OE2 3.68Å; R109-E116 IonicContact NH2-OE1 3.31Å; R109-E116 IonicContact NH2-OE2 3.04Å; R109-E116 PolarHBondContact NH2-OE2 3.04Å
110A98.4Very high98.2Very high44 Ų4459.6 Ų59.636%0.36429%0.286SS..Hα-helixtrans-63.1-33.7178.400000112.2L2 P9 R106 I107 E112L2-A110 WeakPolarHBondContact CD1-O 3.43Å; P9-A110 HydrophobicContact CB-CB 3.97Å; P9-A110 WeakPolarHBondContact CG-O 3.5Å; R106-A110 VanDerWaalsContact O-CB 3.22Å; R106-A110 WeakPolarHBondContact O-CB 3.27Å; R106-A110 PolarHBondContact O-N 2.97Å; I107-A110 PolarHBondContact O-N 3.28Å; I107-A110 VanDerWaalsContact O-N 3.15Å; A110-E112 VanDerWaalsContact C-N 3.28Å
111Y98.7Very high98.2Very high3 Ų359.6 Ų59.61%0.01229%0.286CS..THydrogen-bonded Turntrans-85.65.5174-80.9-97.6000113.8P9 F11 L36 F38 I107 R109 V113 F126 I128P9-Y111 HydrophobicContact CB-CD2 4.23Å; P9-Y111 HydrophobicContact CB-CE2 3.94Å; P9-Y111 HydrophobicContact CG-CD2 4.28Å; P9-Y111 HydrophobicContact CG-CE2 4.23Å; P9-Y111 WeakPolarHBondContact O-CE2 3.45Å; P9-Y111 PolarHBondContact O-OH 3.42Å; F11-Y111 HydrophobicContact CD1-CE2 4.02Å; L36-Y111 HydrophobicContact CD2-CD1 4.17Å; L36-Y111 HydrophobicContact CD2-CD2 4.25Å; L36-Y111 HydrophobicContact CD2-CE1 3.71Å; L36-Y111 HydrophobicContact CD2-CE2 3.79Å; L36-Y111 HydrophobicContact CD2-CG 4.41Å; L36-Y111 VanDerWaalsContact CD2-CZ 3.47Å; F38-Y111 HydrophobicContact CE2-CD1 4.04Å; F38-Y111 HydrophobicContact CE2-CD2 4.33Å; F38-Y111 AromaticContact CE2-CG 3.8Å; F38-Y111 HydrophobicContact CE2-CG 3.8Å; F38-Y111 HydrophobicContact CZ-CD1 4.42Å; F38-Y111 AromaticContact CZ-CD2 3.89Å; F38-Y111 HydrophobicContact CZ-CD2 3.89Å; F38-Y111 AromaticContact CZ-CG 3.76Å; F38-Y111 HydrophobicContact CZ-CG 3.76Å; I107-Y111 HydrophobicContact CG2-CD2 4.04Å; I107-Y111 HydrophobicContact CG2-CE2 4.2Å; I107-Y111 WeakPolarHBondContact O-CD2 3.42Å; I107-Y111 PolarHBondContact O-N 3.28Å; R109-Y111 VanDerWaalsContact C-N 3.25Å; R109-Y111 PolarHBondContact O-N 3.21Å; Y111-V113 PolarHBondContact O-N 2.67Å; Y111-F126 HydrophobicContact CD1-CB 4.36Å; Y111-F126 AromaticContact CD1-CD1 3.7Å; Y111-F126 HydrophobicContact CD1-CD1 3.7Å; Y111-F126 AromaticContact CD1-CD2 3.72Å; Y111-F126 HydrophobicContact CD1-CD2 3.72Å; Y111-F126 AromaticContact CD1-CE1 3.82Å; Y111-F126 HydrophobicContact CD1-CE1 3.82Å; Y111-F126 AromaticContact CD1-CE2 3.84Å; Y111-F126 HydrophobicContact CD1-CE2 3.84Å; Y111-F126 AromaticContact CD1-CG 3.65Å; Y111-F126 HydrophobicContact CD1-CG 3.65Å; Y111-F126 AromaticContact CD1-CZ 3.9Å; Y111-F126 HydrophobicContact CD1-CZ 3.9Å; Y111-F126 HydrophobicContact CE1-CB 4.17Å; Y111-F126 HydrophobicContact CE1-CD1 4.17Å; Y111-F126 HydrophobicContact CE1-CD2 4.3Å; Y111-F126 AromaticContact CE1-CG 3.96Å; Y111-F126 HydrophobicContact CE1-CG 3.96Å; Y111-F126 HydrophobicContact CG-CE2 4.37Å; Y111-F126 HydrophobicContact CG-CZ 4.43Å; Y111-F126 VanDerWaalsContact O-CZ 3.3Å; Y111-F126 WeakPolarHBondContact O-CZ 3.49Å; Y111-I128 HydrophobicContact CE1-CD1 4.4Å; Y111-I128 WeakPolarHBondContact OH-CD1 3.48Å
112E98.1Very high98.1Very high108 Ų10861.4 Ų61.451%0.50529%0.292SS..THydrogen-bonded Turntrans57.233176.5-58.7-179.3173.800114.2M1 L2 S108 R109 A110M1-E112 VanDerWaalsContact CA-CD 3.49Å; M1-E112 WeakPolarHBondContact CA-OE1 3.49Å; M1-E112 WeakPolarHBondContact CA-OE2 3.42Å; M1-E112 PolarHBondContact N-OE1 3.2Å; L2-E112 HydrophobicContact CD1-CG 4.01Å; L2-E112 PolarHBondContact N-OE1 2.88Å; L2-E112 PolarHBondContact N-OE2 3.03Å; S108-E112 PolarHBondContact O-N 3.46Å; R109-E112 PolarHBondContact O-N 3.43Å; A110-E112 VanDerWaalsContact C-N 3.28Å
113V98.4Very high98.1Very high3 Ų361.9 Ų61.92%0.01829%0.294CS..  trans-118.2-1.5179.1-680000113.4F38 S108 Y111 D115 A121 F122 F126 V139F38-V113 HydrophobicContact CB-CG2 4.27Å; F38-V113 HydrophobicContact CD1-CG2 3.95Å; F38-V113 HydrophobicContact CD2-CG2 3.93Å; F38-V113 HydrophobicContact CE1-CG2 4.22Å; F38-V113 HydrophobicContact CE2-CG2 4.19Å; F38-V113 HydrophobicContact CG-CG2 3.78Å; F38-V113 HydrophobicContact CZ-CG2 4.32Å; S108-V113 WeakPolarHBondContact O-CG2 3.42Å; S108-V113 PolarHBondContact O-N 3.31Å; Y111-V113 PolarHBondContact O-N 2.67Å; V113-D115 PolarHBondContact O-N 3.25Å; V113-A121 HydrophobicContact CG2-CB 4.26Å; V113-A121 CarbonylContact O-C 3.26Å; V113-A121 VanDerWaalsContact O-CA 3.25Å; V113-A121 WeakPolarHBondContact O-CA 3.41Å; V113-F122 PolarHBondContact O-N 2.97Å; V113-F126 HydrophobicContact CG1-CE2 3.87Å; V113-F126 HydrophobicContact CG1-CZ 3.65Å; V113-F126 HydrophobicContact CG2-CE2 4.48Å; V113-V139 HydrophobicContact CG1-CG2 4.11Å
114L98.6Very high98.1Very high18 Ų1855.8 Ų55.89%0.09427%0.267CS..BIsolated β-bridgetrans-69.4128.5174-177.265.6000110.6T73 L105 S108 R109 E116T73-L114 HydrophobicContact CG2-CD1 4.22Å; L105-L114 HydrophobicContact CB-CD1 4.27Å; L105-L114 HydrophobicContact CB-CD2 3.83Å; L105-L114 HydrophobicContact CD1-CD1 4.5Å; L105-L114 HydrophobicContact CD1-CD2 4.36Å; L105-L114 HydrophobicContact CD2-CD1 4.27Å; S108-L114 PolarHBondContact O-N 3.38Å; S108-L114 VanDerWaalsContact O-N 3.14Å; R109-L114 HydrophobicContact CB-CB 4.37Å; R109-L114 HydrophobicContact CB-CD2 3.98Å; R109-L114 VanDerWaalsContact CZ-CD2 3.4Å; L114-E116 PolarHBondContact O-N 2.86Å
115D97.9Very high98.2Very high23 Ų2351.4 Ų51.412%0.12324%0.244CC..  trans-77.3109.2158.8-168.7-42.5000108.7V113 Q117 E118 G119 H120 F122 R142V113-D115 PolarHBondContact O-N 3.25Å; D115-Q117 PolarHBondContact O-N 2.94Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.21Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.47Å; D115-Q117 PolarHBondContact OD1-N 3.3Å; D115-E118 HydrophobicContact CB-CB 4.22Å; D115-E118 PolarHBondContact O-N 3.19Å; D115-E118 PolarHBondContact OD1-N 2.92Å; D115-E118 VanDerWaalsContact OD1-N 3.11Å; D115-G119 WeakPolarHBondContact O-CA 3.2Å; D115-G119 PolarHBondContact O-N 3.12Å; D115-H120 WeakPolarHBondContact CB-O 3.32Å; D115-H120 PolarHBondContact N-O 3.17Å; D115-F122 HydrophobicContact CB-CD2 4.38Å; D115-F122 HydrophobicContact CB-CE2 3.82Å; D115-F122 HydrophobicContact CB-CZ 4.44Å; D115-R142 IonicContact OD2-CZ 3.8Å; D115-R142 IonicContact OD2-NH2 3.58Å; D115-R142 PolarHBondContact OD2-NH2 2.91Å
116E97.6Very high98.2Very high120 Ų12049.4 Ų49.456%0.56123%0.233SC*.THydrogen-bonded Turntrans-68.6-17.6-179-65.1-72.8-173.400113.3R109 L114R109-E116 IonicContact CZ-OE1 3.03Å; R109-E116 IonicContact CZ-OE2 3.93Å; R109-E116 IonicContact NE-OE1 3.64Å; R109-E116 PolarHBondContact NE-OE1 3.37Å; R109-E116 IonicContact NE-OE2 3.68Å; R109-E116 IonicContact NH2-OE1 3.31Å; R109-E116 IonicContact NH2-OE2 3.04Å; R109-E116 PolarHBondContact NH2-OE2 3.04Å; L114-E116 PolarHBondContact O-N 2.86Å
117Q97.3Very high98.2Very high175 Ų17540.8 Ų40.882%0.81820%0.201SC*.THydrogen-bonded Turntrans-84.8-43.6176.1-58.9-176.90.700111D115D115-Q117 PolarHBondContact O-N 2.94Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.21Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.47Å; D115-Q117 PolarHBondContact OD1-N 3.3Å
118E96.9Very high98.2Very high125 Ų12540.3 Ų40.358%0.58420%0.198SC*.THydrogen-bonded Turntrans-96.6-16-172.7-60.7-63.5145.600114D115 H120D115-E118 HydrophobicContact CB-CB 4.22Å; D115-E118 PolarHBondContact O-N 3.19Å; D115-E118 PolarHBondContact OD1-N 2.92Å; D115-E118 VanDerWaalsContact OD1-N 3.11Å; E118-H120 VanDerWaalsContact C-N 3.34Å; E118-H120 WeakPolarHBondContact CB-NE2 3.21Å; E118-H120 PolarHBondContact O-N 3.2Å
119G97.6Very high98.2Very high25 Ų2540.9 Ų40.926%0.25820%0.201SC..SBendtrans75.118.5176.400000115T73 L105 D115T73-G119 PolarHBondContact OG1-O 2.93Å; L105-G119 WeakPolarHBondContact CD2-O 3.27Å; D115-G119 WeakPolarHBondContact O-CA 3.2Å; D115-G119 PolarHBondContact O-N 3.12Å
120H97.5Very high98.2Very high25 Ų2539.8 Ų39.812%0.11620%0.197CC..SBendtrans-134.3159.2175.862.363.3000112.1P40 L41 D115 E118 R142P40-H120 WeakPolarHBondContact O-CB 3.48Å; L41-H120 HydrophobicContact CD2-CB 4Å; L41-H120 HydrophobicContact CG-CB 4.11Å; D115-H120 WeakPolarHBondContact CB-O 3.32Å; D115-H120 PolarHBondContact N-O 3.17Å; E118-H120 VanDerWaalsContact C-N 3.34Å; E118-H120 WeakPolarHBondContact CB-NE2 3.21Å; E118-H120 PolarHBondContact O-N 3.2Å; H120-R142 PolarHBondContact CE1-NE 2.81Å
121A98.1Very high98.1Very high0 Ų045.1 Ų45.10%021%0.212CC..BIsolated β-bridgetrans-76.3152.9-176.300000112.8F38 P40 V113F38-A121 HydrophobicContact CB-CB 4.01Å; F38-A121 HydrophobicContact CD1-CB 4.18Å; F38-A121 HydrophobicContact CG-CB 4.47Å; P40-A121 VanDerWaalsContact CA-O 3.27Å; P40-A121 WeakPolarHBondContact CA-O 3.39Å; P40-A121 WeakPolarHBondContact CG-O 3.31Å; V113-A121 HydrophobicContact CG2-CB 4.26Å; V113-A121 CarbonylContact O-C 3.26Å; V113-A121 VanDerWaalsContact O-CA 3.25Å; V113-A121 WeakPolarHBondContact O-CA 3.41Å
122F98.2Very high98.1Very high56 Ų5645.5 Ų45.525%0.24622%0.217CC..  trans-71.8172.5157.2-75.9-83.5000110.5V113 D115 G124 V139 R142V113-F122 PolarHBondContact O-N 2.97Å; D115-F122 HydrophobicContact CB-CD2 4.38Å; D115-F122 HydrophobicContact CB-CE2 3.82Å; D115-F122 HydrophobicContact CB-CZ 4.44Å; F122-G124 PolarHBondContact O-N 2.91Å; F122-V139 HydrophobicContact CB-CG1 4.04Å; F122-R142 HydrophobicContact CD1-CG 4.39Å
123R98.4Very high98.1Very high11 Ų1142 Ų424%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-78.766.5178.4-65.2-173.8-170.4-61.3-20.5111.2P40 C47 E50 N140 R142 V144 R146P40-R123 HydrophobicContact CG-CG 4.35Å; C47-R123 PolarHBondContact SG-NH1 3.21Å; C47-R123 VanDerWaalsContact SG-NH1 3.4Å; E50-R123 IonicContact OE2-CZ 2.68Å; E50-R123 IonicContact OE2-NE 2.75Å; E50-R123 IonicContact OE2-NH1 3.66Å; E50-R123 PolarHBondContact OE2-NH1 3.4Å; R123-N140 HydrophobicContact CB-CB 3.95Å; R123-N140 PolarHBondContact N-O 2.91Å; R123-N140 PolarHBondContact O-N 3.08Å; R123-N140 VanDerWaalsContact O-N 3.08Å; R123-R142 VanDerWaalsContact CZ-O 3.31Å; R123-R142 PolarHBondContact NE-O 2.84Å; R123-R142 PolarHBondContact NH2-O 2.83Å; R123-V144 WeakPolarHBondContact CD-O 3.32Å; R123-R146 VanDerWaalsContact C-NH1 3.31Å; R123-R146 PolarHBondContact O-NH1 2.72Å
124G98.5Very high98.1Very high0 Ų041.9 Ų41.90%020%0.201CC..EExtended strand (participates in β ladder)trans-83.3133176.900000113F38 F122 T138 R146F38-G124 WeakPolarHBondContact CA-O 3.33Å; F38-G124 WeakPolarHBondContact CB-O 3.45Å; F38-G124 PolarHBondContact N-O 2.98Å; F122-G124 PolarHBondContact O-N 2.91Å; G124-T138 CarbonylContact C-O 3.48Å; G124-T138 WeakPolarHBondContact CA-O 3.27Å; G124-R146 PolarHBondContact O-NH1 2.62Å
125M98.7Very high98.1Very high4 Ų443.9 Ų43.92%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-129.4130.4174.4178.8175.973.700109.3L35 L36 V37 F54 I137 T138 A151L35-M125 HydrophobicContact CD1-CG 3.71Å; L35-M125 HydrophobicContact CD1-SD 3.96Å; L35-M125 HydrophobicContact CD2-SD 4.11Å; L35-M125 HydrophobicContact CG-CG 4.14Å; L35-M125 HydrophobicContact CG-SD 4.3Å; L36-M125 CarbonylContact O-C 3.49Å; L36-M125 WeakPolarHBondContact O-CA 3.3Å; V37-M125 HydrophobicContact CG2-CG 4.22Å; F54-M125 HydrophobicContact CE1-SD 4.48Å; F54-M125 HydrophobicContact CZ-SD 3.81Å; M125-I137 WeakPolarHBondContact O-CA 3.4Å; M125-T138 PolarHBondContact N-O 3.1Å; M125-T138 PolarHBondContact O-N 3.37Å; M125-A151 HydrophobicContact CE-CB 3.97Å; M125-A151 HydrophobicContact SD-CB 3.9Å
126F98.8Very high98.1Very high1 Ų144.2 Ų44.20%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-129.2121.9-172.6-61-93.9000109.8L35 L36 F38 Y111 V113 L134 Q136 I137L35-F126 WeakPolarHBondContact CA-O 3.34Å; L36-F126 HydrophobicContact CB-CB 4.4Å; L36-F126 PolarHBondContact N-O 3.45Å; L36-F126 PolarHBondContact O-N 2.9Å; F38-F126 AromaticContact CD2-CD2 3.81Å; F38-F126 HydrophobicContact CD2-CD2 3.81Å; F38-F126 AromaticContact CD2-CE2 3.62Å; F38-F126 HydrophobicContact CD2-CE2 3.62Å; F38-F126 AromaticContact CE2-CD2 3.69Å; F38-F126 HydrophobicContact CE2-CD2 3.69Å; F38-F126 AromaticContact CE2-CE2 3.62Å; F38-F126 HydrophobicContact CE2-CE2 3.62Å; Y111-F126 HydrophobicContact CD1-CB 4.36Å; Y111-F126 AromaticContact CD1-CD1 3.7Å; Y111-F126 HydrophobicContact CD1-CD1 3.7Å; Y111-F126 AromaticContact CD1-CD2 3.72Å; Y111-F126 HydrophobicContact CD1-CD2 3.72Å; Y111-F126 AromaticContact CD1-CE1 3.82Å; Y111-F126 HydrophobicContact CD1-CE1 3.82Å; Y111-F126 AromaticContact CD1-CE2 3.84Å; Y111-F126 HydrophobicContact CD1-CE2 3.84Å; Y111-F126 AromaticContact CD1-CG 3.65Å; Y111-F126 HydrophobicContact CD1-CG 3.65Å; Y111-F126 AromaticContact CD1-CZ 3.9Å; Y111-F126 HydrophobicContact CD1-CZ 3.9Å; Y111-F126 HydrophobicContact CE1-CB 4.17Å; Y111-F126 HydrophobicContact CE1-CD1 4.17Å; Y111-F126 HydrophobicContact CE1-CD2 4.3Å; Y111-F126 AromaticContact CE1-CG 3.96Å; Y111-F126 HydrophobicContact CE1-CG 3.96Å; Y111-F126 HydrophobicContact CG-CE2 4.37Å; Y111-F126 HydrophobicContact CG-CZ 4.43Å; Y111-F126 VanDerWaalsContact O-CZ 3.3Å; Y111-F126 WeakPolarHBondContact O-CZ 3.49Å; V113-F126 HydrophobicContact CG1-CE2 3.87Å; V113-F126 HydrophobicContact CG1-CZ 3.65Å; V113-F126 HydrophobicContact CG2-CE2 4.48Å; F126-L134 HydrophobicContact CB-CD1 3.77Å; F126-L134 HydrophobicContact CD1-CD1 3.87Å; F126-L134 HydrophobicContact CD1-CD2 4.14Å; F126-L134 HydrophobicContact CG-CD1 4.33Å; F126-Q136 WeakPolarHBondContact CA-O 3.35Å; F126-I137 HydrophobicContact CD1-CB 4.37Å; F126-I137 HydrophobicContact CD1-CD1 4.45Å; F126-I137 HydrophobicContact CD1-CG1 3.88Å; F126-I137 HydrophobicContact CD1-CG2 4Å; F126-I137 HydrophobicContact CE1-CB 4.35Å; F126-I137 HydrophobicContact CE1-CD1 4.22Å; F126-I137 HydrophobicContact CE1-CG1 4.02Å; F126-I137 HydrophobicContact CE1-CG2 3.57Å; F126-I137 HydrophobicContact CZ-CG2 4.13Å
127L98.8Very high98.2Very high2 Ų240.9 Ų40.91%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-96.7116.2172.4-179.663.1000109.6Y33 L35 R135 Q136 L155 F158Y33-L127 HydrophobicContact CD1-CD1 3.99Å; Y33-L127 HydrophobicContact CD1-CG 4.42Å; L35-L127 HydrophobicContact CD1-CB 4.17Å; L35-L127 HydrophobicContact CD1-CD1 4.19Å; L127-R135 PolarHBondContact O-N 3.08Å; L127-Q136 HydrophobicContact CB-CB 4.01Å; L127-Q136 PolarHBondContact N-O 2.72Å; L127-Q136 PolarHBondContact O-N 3.04Å; L127-L155 HydrophobicContact CD1-CD1 4.02Å; L127-F158 HydrophobicContact CD2-CD2 3.52Å; L127-F158 HydrophobicContact CD2-CE2 4.11Å; L127-F158 HydrophobicContact CD2-CG 4.38Å
128I98.8Very high98.2Very high1 Ų134.2 Ų34.21%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-111.8133.6-178-51.9166.5000107.8A8 L26 Y33 V34 Y111 I133 L134A8-I128 HydrophobicContact CB-CB 4.47Å; A8-I128 HydrophobicContact CB-CD1 3.69Å; A8-I128 HydrophobicContact CB-CG1 3.8Å; A8-I128 HydrophobicContact CB-CG2 3.83Å; L26-I128 HydrophobicContact CD1-CD1 3.89Å; L26-I128 HydrophobicContact CD2-CD1 4.22Å; Y33-I128 CarbonylContact C-O 3.55Å; Y33-I128 VanDerWaalsContact CA-O 3.3Å; Y33-I128 WeakPolarHBondContact CA-O 3.28Å; Y33-I128 WeakPolarHBondContact CD1-O 3.46Å; V34-I128 HydrophobicContact CB-CB 4.24Å; V34-I128 HydrophobicContact CB-CD1 4.46Å; V34-I128 HydrophobicContact CG1-CD1 4.47Å; V34-I128 PolarHBondContact N-O 2.88Å; V34-I128 PolarHBondContact O-N 2.96Å; Y111-I128 HydrophobicContact CE1-CD1 4.4Å; Y111-I128 WeakPolarHBondContact OH-CD1 3.48Å; I128-I133 WeakPolarHBondContact CA-O 3.2Å; I128-L134 HydrophobicContact CG1-CD1 4.1Å
129D98.5Very high98.3Very high12 Ų1232 Ų326%0.06416%0.159CC..  trans-83.5178.1-178.478.68.3000114Y33 K131 G132 I133 R135Y33-D129 HydrophobicContact CD1-CB 4.18Å; Y33-D129 HydrophobicContact CE1-CB 3.69Å; D129-K131 PolarHBondContact O-N 2.89Å; D129-K131 WeakPolarHBondContact OD1-CA 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.34Å; D129-K131 PolarHBondContact OD1-N 2.85Å; D129-G132 PolarHBondContact O-N 2.91Å; D129-G132 PolarHBondContact OD1-N 2.93Å; D129-I133 PolarHBondContact N-O 2.86Å; D129-I133 WeakPolarHBondContact OD1-CB 3.28Å; D129-I133 PolarHBondContact OD1-N 2.78Å; D129-R135 HydrophobicContact CB-CG 3.86Å; D129-R135 IonicContact OD2-CZ 3.11Å; D129-R135 IonicContact OD2-NE 3.55Å; D129-R135 PolarHBondContact OD2-NE 3.02Å; D129-R135 IonicContact OD2-NH2 2.66Å; D129-R135 PolarHBondContact OD2-NH2 2.73Å
130R97.9Very high98.3Very high79 Ų7932.5 Ų32.530%0.29816%0.156SC..THydrogen-bonded Turntrans-59.1-17.3-179.7-60.6-175179.3118.32.9115Q30 G31 K32 Y33 E162Q30-R130 PolarHBondContact OE1-O 2.8Å; G31-R130 PolarHBondContact N-O 2.85Å; G31-R130 WeakPolarHBondContact O-CD 3.42Å; G31-R130 WeakPolarHBondContact O-CG 3.33Å; K32-R130 WeakPolarHBondContact O-CA 3.38Å; Y33-R130 HydrophobicContact CD2-CG 3.75Å; Y33-R130 HydrophobicContact CE2-CG 3.78Å; R130-E162 IonicContact CZ-OE1 3.71Å; R130-E162 IonicContact CZ-OE2 3.76Å; R130-E162 IonicContact NH1-OE1 2.67Å; R130-E162 PolarHBondContact NH1-OE1 3.43Å; R130-E162 IonicContact NH1-OE2 3.44Å; R130-E162 PolarHBondContact NH1-OE2 3.07Å
131K97.1Very high98.2Very high156 Ų15635.7 Ų35.768%0.67817%0.174SC*.THydrogen-bonded Turntrans-100.43179.1-59.6178.6-177.21770111.7D129 I133D129-K131 PolarHBondContact O-N 2.89Å; D129-K131 WeakPolarHBondContact OD1-CA 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.34Å; D129-K131 PolarHBondContact OD1-N 2.85Å; K131-I133 VanDerWaalsContact C-N 3.33Å; K131-I133 HydrophobicContact CB-CG1 4.16Å
132G97.8Very high97.9Very high11 Ų1139.3 Ų39.311%0.11319%0.188CC..SBendtrans77.916.5-175.200000113.6A8 D129A8-G132 PolarHBondContact N-O 3.36Å; D129-G132 PolarHBondContact O-N 2.91Å; D129-G132 PolarHBondContact OD1-N 2.93Å
133I98.3Very high97.8Very high35 Ų3541.2 Ų41.218%0.17921%0.206CC..BIsolated β-bridgetrans-90.9131.9178.4-53.5-58.7000109.5Q6 P7 I128 D129 K131 R135Q6-I133 WeakPolarHBondContact O-CG2 3.14Å; P7-I133 HydrophobicContact CB-CD1 4.46Å; P7-I133 HydrophobicContact CG-CD1 4.16Å; I128-I133 WeakPolarHBondContact CA-O 3.2Å; D129-I133 PolarHBondContact N-O 2.86Å; D129-I133 WeakPolarHBondContact OD1-CB 3.28Å; D129-I133 PolarHBondContact OD1-N 2.78Å; K131-I133 VanDerWaalsContact C-N 3.33Å; K131-I133 HydrophobicContact CB-CG1 4.16Å; I133-R135 PolarHBondContact O-N 3.27Å
134L98.6Very high97.7Very high0 Ų044.7 Ų44.70%023%0.228CC..EExtended strand (participates in β ladder)trans-71.1129175.3-176.765.4000110.8L2 P4 N5 Q6 A8 F126 I128 I137L2-L134 HydrophobicContact CD2-CD2 3.16Å; L2-L134 HydrophobicContact CG-CD2 4.48Å; P4-L134 CarbonylContact C-O 3.57Å; P4-L134 WeakPolarHBondContact CA-O 3.28Å; N5-L134 PolarHBondContact N-O 3.39Å; Q6-L134 PolarHBondContact O-N 2.89Å; A8-L134 HydrophobicContact CB-CB 4.34Å; F126-L134 HydrophobicContact CB-CD1 3.77Å; F126-L134 HydrophobicContact CD1-CD1 3.87Å; F126-L134 HydrophobicContact CD1-CD2 4.14Å; F126-L134 HydrophobicContact CG-CD1 4.33Å; I128-L134 HydrophobicContact CG1-CD1 4.1Å; L134-I137 HydrophobicContact CD1-CG1 4.37Å; L134-I137 HydrophobicContact CD2-CD1 3.62Å; L134-I137 HydrophobicContact CD2-CG1 3.71Å; L134-I137 HydrophobicContact CG-CG1 4.19Å
135R98.6Very high97.6Very high61 Ų6146.4 Ų46.423%0.2325%0.245CC..EExtended strand (participates in β ladder)trans-113-33.4-175.8-63.1-53.3179.1-166.5-4113.7N5 L127 D129 I133 F158N5-R135 PolarHBondContact OD1-NH1 2.81Å; L127-R135 PolarHBondContact O-N 3.08Å; D129-R135 HydrophobicContact CB-CG 3.86Å; D129-R135 IonicContact OD2-CZ 3.11Å; D129-R135 IonicContact OD2-NE 3.55Å; D129-R135 PolarHBondContact OD2-NE 3.02Å; D129-R135 IonicContact OD2-NH2 2.66Å; D129-R135 PolarHBondContact OD2-NH2 2.73Å; I133-R135 PolarHBondContact O-N 3.27Å; R135-F158 HydrophobicContact CB-CD1 3.94Å; R135-F158 HydrophobicContact CB-CD2 4.1Å; R135-F158 HydrophobicContact CB-CE1 3.71Å; R135-F158 HydrophobicContact CB-CE2 3.89Å; R135-F158 HydrophobicContact CB-CG 4.14Å; R135-F158 HydrophobicContact CB-CZ 3.68Å; R135-F158 HydrophobicContact CG-CD1 4.12Å; R135-F158 HydrophobicContact CG-CE1 4.22Å; R135-F158 HydrophobicContact CG-CG 4.49Å; R135-F158 VanDerWaalsContact O-CZ 3.31Å; R135-F158 WeakPolarHBondContact O-CZ 3.4Å
136Q98.6Very high97.6Very high29 Ų2947.5 Ų47.514%0.13625%0.249CC..EExtended strand (participates in β ladder)trans-149.8145.6-177.2-167.2-85.4-30.900111.4F126 L127 T138 L154 F158F126-Q136 WeakPolarHBondContact CA-O 3.35Å; L127-Q136 HydrophobicContact CB-CB 4.01Å; L127-Q136 PolarHBondContact N-O 2.72Å; L127-Q136 PolarHBondContact O-N 3.04Å; Q136-T138 PolarHBondContact NE2-OG1 3.37Å; Q136-L154 HydrophobicContact CG-CD1 3.85Å; Q136-L154 HydrophobicContact CG-CD2 4.31Å; Q136-F158 HydrophobicContact CB-CE2 3.95Å; Q136-F158 HydrophobicContact CB-CZ 4.49Å
137I98.5Very high97.6Very high50 Ų5050.1 Ų50.126%0.25627%0.268SS..EExtended strand (participates in β ladder)trans-132.4126.8178.9-50.9176000108.4L2 M125 F126 L134 V139L2-I137 HydrophobicContact CB-CD1 4.25Å; M125-I137 WeakPolarHBondContact O-CA 3.4Å; F126-I137 HydrophobicContact CD1-CB 4.37Å; F126-I137 HydrophobicContact CD1-CD1 4.45Å; F126-I137 HydrophobicContact CD1-CG1 3.88Å; F126-I137 HydrophobicContact CD1-CG2 4Å; F126-I137 HydrophobicContact CE1-CB 4.35Å; F126-I137 HydrophobicContact CE1-CD1 4.22Å; F126-I137 HydrophobicContact CE1-CG1 4.02Å; F126-I137 HydrophobicContact CE1-CG2 3.57Å; F126-I137 HydrophobicContact CZ-CG2 4.13Å; L134-I137 HydrophobicContact CD1-CG1 4.37Å; L134-I137 HydrophobicContact CD2-CD1 3.62Å; L134-I137 HydrophobicContact CD2-CG1 3.71Å; L134-I137 HydrophobicContact CG-CG1 4.19Å; I137-V139 HydrophobicContact CG2-CG2 3.91Å
138T98.4Very high97.6Very high35 Ų3550.6 Ų50.622%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-121126.9164.1-62.60000108.2G124 M125 Q136 N140 R146G124-T138 CarbonylContact C-O 3.48Å; G124-T138 WeakPolarHBondContact CA-O 3.27Å; M125-T138 PolarHBondContact N-O 3.1Å; M125-T138 PolarHBondContact O-N 3.37Å; Q136-T138 PolarHBondContact NE2-OG1 3.37Å; T138-N140 WeakPolarHBondContact CG2-OD1 3.28Å; T138-R146 HydrophobicContact CG2-CG 4.4Å
139V98.2Very high97.5Very high78 Ų7855.4 Ų55.447%0.47330%0.296SS..EExtended strand (participates in β ladder)trans-123.8111.8171.4-175.10000108.2V113 F122 I137V113-V139 HydrophobicContact CG1-CG2 4.11Å; F122-V139 HydrophobicContact CB-CG1 4.04Å; I137-V139 HydrophobicContact CG2-CG2 3.91Å
140N98.1Very high97.5Very high36 Ų3658.3 Ų58.319%0.19331%0.31CS..EExtended strand (participates in β ladder)trans-94.1148.3171.6-73.423.7000110.1R123 T138 V144 G145R123-N140 HydrophobicContact CB-CB 3.95Å; R123-N140 PolarHBondContact N-O 2.91Å; R123-N140 PolarHBondContact O-N 3.08Å; R123-N140 VanDerWaalsContact O-N 3.08Å; T138-N140 WeakPolarHBondContact CG2-OD1 3.28Å; N140-V144 WeakPolarHBondContact CB-O 3.46Å; N140-V144 PolarHBondContact ND2-O 3.19Å; N140-G145 PolarHBondContact ND2-O 2.81Å
141D95.5Very high97.6Very high92 Ų9254.6 Ų54.649%0.49230%0.296SS..  trans-65.4160.5160.5-169.620000110.4V144D141-V144 PolarHBondContact O-N 3.12Å
142R91.5Very high97.7Very high77 Ų7747.7 Ų47.729%0.29127%0.266SS..THydrogen-bonded Turntrans-55-39-171.1-61.4172.7-173.4114.1-10.1116.1P40 D115 H120 F122 R123 V144P40-R142 HydrophobicContact CG-CG 4.47Å; D115-R142 IonicContact OD2-CZ 3.8Å; D115-R142 IonicContact OD2-NH2 3.58Å; D115-R142 PolarHBondContact OD2-NH2 2.91Å; H120-R142 PolarHBondContact CE1-NE 2.81Å; F122-R142 HydrophobicContact CD1-CG 4.39Å; R123-R142 VanDerWaalsContact CZ-O 3.31Å; R123-R142 PolarHBondContact NE-O 2.84Å; R123-R142 PolarHBondContact NH2-O 2.83Å; R142-V144 PolarHBondContact O-N 3.43Å
143P95.4Very high97.7Very high95 Ų9549.5 Ų49.562%0.61727%0.27SS*.THydrogen-bonded Turntrans-76.5-10.3-173.628.3-32000113.6
144V96.8Very high97.7Very high85 Ų8549 Ų4952%0.51527%0.267SS..SBendtrans-117.5115.6-171.7-174.30000111.6R123 N140 D141 R142R123-V144 WeakPolarHBondContact CD-O 3.32Å; N140-V144 WeakPolarHBondContact CB-O 3.46Å; N140-V144 PolarHBondContact ND2-O 3.19Å; D141-V144 PolarHBondContact O-N 3.12Å; R142-V144 PolarHBondContact O-N 3.43Å
145G96.6Very high97.7Very high35 Ų3549 Ų4936%0.36127%0.267SS..PPolyproline II helixtrans-69.3159.9174.800000113.7N140N140-G145 PolarHBondContact ND2-O 2.81Å
146R98.5Very high97.7Very high27 Ų2747.2 Ų47.210%0.10226%0.262CS..PPolyproline II helixtrans-91.1165.8177.4-68.8160.4-70.6-164.6-5.6112F38 E50 R123 G124 T138F38-R146 VanDerWaalsContact O-CZ 3.24Å; F38-R146 PolarHBondContact O-NH1 2.77Å; F38-R146 PolarHBondContact O-NH2 2.82Å; E50-R146 VanDerWaalsContact CD-NH2 3.32Å; E50-R146 WeakPolarHBondContact OE1-CB 3.37Å; E50-R146 IonicContact OE1-CZ 3.84Å; E50-R146 PolarHBondContact OE1-N 3.41Å; E50-R146 IonicContact OE1-NE 3.99Å; E50-R146 PolarHBondContact OE1-NE 3.31Å; E50-R146 IonicContact OE1-NH2 3.71Å; E50-R146 PolarHBondContact OE1-NH2 3.29Å; E50-R146 IonicContact OE2-CZ 2.91Å; E50-R146 IonicContact OE2-NE 2.75Å; E50-R146 IonicContact OE2-NH2 2.94Å; E50-R146 PolarHBondContact OE2-NH2 3.01Å; R123-R146 VanDerWaalsContact C-NH1 3.31Å; R123-R146 PolarHBondContact O-NH1 2.72Å; G124-R146 PolarHBondContact O-NH1 2.62Å; T138-R146 HydrophobicContact CG2-CG 4.4Å
147S98.5Very high97.7Very high56 Ų5646.4 Ų46.439%0.39226%0.261SS..PPolyproline II helixtrans-102.1124.3178.7173.90000111.8D149 E150 A151S147-D149 PolarHBondContact OG-N 2.86Å; S147-E150 PolarHBondContact OG-N 3.06Å; S147-A151 PolarHBondContact O-N 3.33Å
148V98.6Very high97.7Very high12 Ų1246.6 Ų46.67%0.07326%0.26CS..Hα-helixtrans-69.2-35.7173.3-175.70000110.9A53 F54 R57 F61 E150 A151 I152A53-V148 HydrophobicContact CB-CG2 3.75Å; F54-V148 HydrophobicContact CD1-CG1 4.08Å; F54-V148 HydrophobicContact CD1-CG2 4.05Å; F54-V148 HydrophobicContact CD2-CG2 4.13Å; F54-V148 HydrophobicContact CE1-CB 4.34Å; F54-V148 HydrophobicContact CE1-CG1 4.1Å; F54-V148 HydrophobicContact CE1-CG2 4.01Å; F54-V148 HydrophobicContact CE2-CG2 4.09Å; F54-V148 HydrophobicContact CG-CG2 4.1Å; F54-V148 HydrophobicContact CZ-CG2 4.03Å; R57-V148 HydrophobicContact CB-CG1 4.25Å; F61-V148 HydrophobicContact CE2-CG1 3.86Å; F61-V148 HydrophobicContact CZ-CG1 3.86Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 2.77Å; V148-A151 WeakPolarHBondContact O-CB 3.28Å; V148-A151 PolarHBondContact O-N 3.49Å; V148-I152 HydrophobicContact CG1-CD1 4.02Å; V148-I152 WeakPolarHBondContact O-CG1 3.45Å; V148-I152 PolarHBondContact O-N 3.26Å
149D98.5Very high97.7Very high102 Ų10246.6 Ų46.655%0.54526%0.258SS..Hα-helixtrans-64.1-39.6177.6-66.9-57.9000112R57 S147 I152 R153R57-D149 IonicContact CZ-OD1 3.75Å; R57-D149 VanDerWaalsContact NH1-CG 3.3Å; R57-D149 IonicContact NH1-OD1 2.64Å; R57-D149 PolarHBondContact NH1-OD1 3.4Å; R57-D149 IonicContact NH1-OD2 3.12Å; R57-D149 IonicContact NH2-OD1 3.13Å; R57-D149 PolarHBondContact NH2-OD1 3.19Å; R57-D149 VanDerWaalsContact NH2-OD1 3.1Å; S147-D149 PolarHBondContact OG-N 2.86Å; D149-I152 PolarHBondContact O-N 3.41Å; D149-R153 WeakPolarHBondContact O-CB 3.29Å; D149-R153 PolarHBondContact O-N 2.97Å
150E98.7Very high97.7Very high73 Ų7345 Ų4534%0.34125%0.245SC..Hα-helixtrans-69.2-38.8176.5-178.657-167.100111.5S147 V148 I152 R153 L154S147-E150 PolarHBondContact OG-N 3.06Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 2.77Å; E150-I152 VanDerWaalsContact C-N 3.32Å; E150-I152 PolarHBondContact O-N 2.97Å; E150-R153 PolarHBondContact O-N 3.4Å; E150-R153 IonicContact OE1-CZ 3.68Å; E150-R153 IonicContact OE1-NE 2.73Å; E150-R153 PolarHBondContact OE1-NE 2.89Å; E150-R153 IonicContact OE1-NH2 2.74Å; E150-R153 PolarHBondContact OE1-NH2 3.2Å; E150-R153 WeakPolarHBondContact OE2-CD 3.15Å; E150-R153 IonicContact OE2-CZ 2.86Å; E150-R153 IonicContact OE2-NE 3.27Å; E150-R153 PolarHBondContact OE2-NE 3.12Å; E150-R153 IonicContact OE2-NH2 3.54Å; E150-L154 HydrophobicContact CG-CD1 4.01Å; E150-L154 WeakPolarHBondContact O-CB 3.33Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å; E150-L154 PolarHBondContact O-N 3.12Å
151A98.7Very high97.7Very high2 Ų248 Ų482%0.01726%0.257CS..Hα-helixtrans-59.7-42.5173.600000111.8L35 F54 F61 M125 S147 V148 L155L35-A151 HydrophobicContact CD2-CB 4.04Å; F54-A151 HydrophobicContact CE1-CB 3.99Å; F54-A151 HydrophobicContact CZ-CB 4.25Å; F61-A151 HydrophobicContact CE1-CB 4.35Å; F61-A151 HydrophobicContact CZ-CB 4.34Å; M125-A151 HydrophobicContact CE-CB 3.97Å; M125-A151 HydrophobicContact SD-CB 3.9Å; S147-A151 PolarHBondContact O-N 3.33Å; V148-A151 WeakPolarHBondContact O-CB 3.28Å; V148-A151 PolarHBondContact O-N 3.49Å; A151-L155 WeakPolarHBondContact O-CB 3.47Å; A151-L155 PolarHBondContact O-N 2.96Å
152I98.7Very high97.7Very high11 Ų1147.9 Ų47.96%0.05625%0.253CS..Hα-helixtrans-66.9-43.7175.9-71.9164.9000111.1R57 E60 F61 V148 D149 E150 L154 L155 D156R57-I152 VanDerWaalsContact CZ-CD1 3.46Å; E60-I152 HydrophobicContact CB-CD1 4.3Å; F61-I152 HydrophobicContact CD1-CG1 4.39Å; F61-I152 HydrophobicContact CE1-CG1 3.68Å; F61-I152 HydrophobicContact CE2-CD1 4.08Å; F61-I152 HydrophobicContact CE2-CG1 4.02Å; F61-I152 HydrophobicContact CZ-CD1 3.97Å; F61-I152 HydrophobicContact CZ-CG1 3.46Å; F61-I152 VanDerWaalsContact CZ-CG1 3.46Å; V148-I152 HydrophobicContact CG1-CD1 4.02Å; V148-I152 WeakPolarHBondContact O-CG1 3.45Å; V148-I152 PolarHBondContact O-N 3.26Å; D149-I152 PolarHBondContact O-N 3.41Å; E150-I152 VanDerWaalsContact C-N 3.32Å; E150-I152 PolarHBondContact O-N 2.97Å; I152-L154 VanDerWaalsContact C-N 3.32Å; I152-L154 PolarHBondContact O-N 3.37Å; I152-L155 PolarHBondContact O-N 3.43Å; I152-D156 WeakPolarHBondContact O-CB 3.49Å; I152-D156 PolarHBondContact O-N 3.08Å
153R98.7Very high97.9Very high49 Ų4951.9 Ų51.919%0.18527%0.272CS..Hα-helixtrans-58.5-45.1177.9-169.1-16470.172.82.2111.6D149 E150 D156 A157 W172 K173D149-R153 WeakPolarHBondContact O-CB 3.29Å; D149-R153 PolarHBondContact O-N 2.97Å; E150-R153 PolarHBondContact O-N 3.4Å; E150-R153 IonicContact OE1-CZ 3.68Å; E150-R153 IonicContact OE1-NE 2.73Å; E150-R153 PolarHBondContact OE1-NE 2.89Å; E150-R153 IonicContact OE1-NH2 2.74Å; E150-R153 PolarHBondContact OE1-NH2 3.2Å; E150-R153 WeakPolarHBondContact OE2-CD 3.15Å; E150-R153 IonicContact OE2-CZ 2.86Å; E150-R153 IonicContact OE2-NE 3.27Å; E150-R153 PolarHBondContact OE2-NE 3.12Å; E150-R153 IonicContact OE2-NH2 3.54Å; R153-D156 PolarHBondContact O-N 3.42Å; R153-A157 WeakPolarHBondContact O-CB 3.31Å; R153-A157 PolarHBondContact O-N 3.28Å; R153-W172 WeakPolarHBondContact CD-O 3.48Å; R153-W172 WeakPolarHBondContact CG-O 3.15Å; R153-W172 PolarHBondContact NH1-O 3.43Å; R153-K173 HydrophobicContact CG-CG 4.36Å
154L98.7Very high98Very high23 Ų2351.9 Ų51.912%0.1226%0.264CS..Hα-helixtrans-65.8-44.1177.7-72.3165.1000111.5Q136 E150 I152 D156 A157 F158Q136-L154 HydrophobicContact CG-CD1 3.85Å; Q136-L154 HydrophobicContact CG-CD2 4.31Å; E150-L154 HydrophobicContact CG-CD1 4.01Å; E150-L154 WeakPolarHBondContact O-CB 3.33Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å; E150-L154 PolarHBondContact O-N 3.12Å; I152-L154 VanDerWaalsContact C-N 3.32Å; I152-L154 PolarHBondContact O-N 3.37Å; L154-D156 VanDerWaalsContact C-N 3.35Å; L154-D156 PolarHBondContact O-N 3.41Å; L154-A157 PolarHBondContact O-N 2.99Å; L154-F158 WeakPolarHBondContact O-CD2 3.32Å; L154-F158 PolarHBondContact O-N 2.91Å
155L98.7Very high98Very high1 Ų149.7 Ų49.71%0.00526%0.258CS..Hα-helixtrans-56.7-48.5174.1174.562.8000111.5Y33 F61 R64 C66 L127 A151 I152 A157 F158 I159Y33-L155 HydrophobicContact CD1-CD1 3.74Å; Y33-L155 HydrophobicContact CD2-CD1 4.28Å; Y33-L155 HydrophobicContact CE1-CD1 4.31Å; Y33-L155 HydrophobicContact CG-CD1 3.72Å; F61-L155 HydrophobicContact CD1-CD2 3.82Å; F61-L155 HydrophobicContact CE1-CD2 4.46Å; R64-L155 HydrophobicContact CB-CD2 3.96Å; C66-L155 HydrophobicContact CB-CD1 4.05Å; C66-L155 HydrophobicContact CB-CD2 3.53Å; C66-L155 HydrophobicContact CB-CG 4.47Å; L127-L155 HydrophobicContact CD1-CD1 4.02Å; A151-L155 WeakPolarHBondContact O-CB 3.47Å; A151-L155 PolarHBondContact O-N 2.96Å; I152-L155 PolarHBondContact O-N 3.43Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.11Å; L155-F158 PolarHBondContact O-N 2.66Å; L155-I159 HydrophobicContact CD1-CD1 3.76Å; L155-I159 HydrophobicContact CD1-CG1 4.18Å; L155-I159 HydrophobicContact CG-CD1 3.83Å; L155-I159 WeakPolarHBondContact O-CG1 3.26Å; L155-I159 PolarHBondContact O-N 3.22Å
156D98.6Very high98Very high24 Ų2450.2 Ų50.213%0.12825%0.251CS..Hα-helixtrans-60.8-38.9178.1-78.2-24.8000111.9R64 I152 R153 L154 I159 F160 W172 P174R64-D156 VanDerWaalsContact CD-OD1 3.28Å; R64-D156 WeakPolarHBondContact CD-OD1 3.42Å; R64-D156 IonicContact CZ-OD1 3.54Å; R64-D156 IonicContact CZ-OD2 3.36Å; R64-D156 IonicContact NE-OD1 3.58Å; R64-D156 PolarHBondContact NE-OD1 3.21Å; R64-D156 IonicContact NE-OD2 3.1Å; R64-D156 PolarHBondContact NE-OD2 3.2Å; R64-D156 IonicContact NH2-OD1 2.77Å; R64-D156 IonicContact NH2-OD2 2.72Å; R64-D156 PolarHBondContact NH2-OD2 3.11Å; I152-D156 WeakPolarHBondContact O-CB 3.49Å; I152-D156 PolarHBondContact O-N 3.08Å; R153-D156 PolarHBondContact O-N 3.42Å; L154-D156 VanDerWaalsContact C-N 3.35Å; L154-D156 PolarHBondContact O-N 3.41Å; D156-I159 PolarHBondContact O-N 3.43Å; D156-F160 WeakPolarHBondContact O-CB 3.38Å; D156-F160 PolarHBondContact O-N 3.36Å; D156-W172 HydrophobicContact CB-CZ3 4.1Å; D156-P174 HydrophobicContact CB-CG 4.15Å
157A98.7Very high98Very high12 Ų1251.4 Ų51.410%0.09926%0.261CS..Hα-helixtrans-65.1-44.3177.900000112.2R153 L154 L155 F160 F161 C168 W172R153-A157 WeakPolarHBondContact O-CB 3.31Å; R153-A157 PolarHBondContact O-N 3.28Å; L154-A157 PolarHBondContact O-N 2.99Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.11Å; A157-F160 PolarHBondContact O-N 2.77Å; A157-F161 WeakPolarHBondContact O-CB 3.38Å; A157-F161 PolarHBondContact O-N 2.94Å; A157-C168 HydrophobicContact CB-CB 4.22Å; A157-W172 VanDerWaalsContact CA-CZ3 3.41Å; A157-W172 HydrophobicContact CB-CE3 3.77Å; A157-W172 HydrophobicContact CB-CZ3 3.87Å
158F98.5Very high97.9Very high54 Ų5450.6 Ų50.624%0.23726%0.255CS..Hα-helixtrans-67.8-39.8177.2-78.9-69.5000112.5Y33 L127 R135 Q136 L154 L155 F160 F161 E162Y33-F158 HydrophobicContact CE1-CB 4.17Å; L127-F158 HydrophobicContact CD2-CD2 3.52Å; L127-F158 HydrophobicContact CD2-CE2 4.11Å; L127-F158 HydrophobicContact CD2-CG 4.38Å; R135-F158 HydrophobicContact CB-CD1 3.94Å; R135-F158 HydrophobicContact CB-CD2 4.1Å; R135-F158 HydrophobicContact CB-CE1 3.71Å; R135-F158 HydrophobicContact CB-CE2 3.89Å; R135-F158 HydrophobicContact CB-CG 4.14Å; R135-F158 HydrophobicContact CB-CZ 3.68Å; R135-F158 HydrophobicContact CG-CD1 4.12Å; R135-F158 HydrophobicContact CG-CE1 4.22Å; R135-F158 HydrophobicContact CG-CG 4.49Å; R135-F158 VanDerWaalsContact O-CZ 3.31Å; R135-F158 WeakPolarHBondContact O-CZ 3.4Å; Q136-F158 HydrophobicContact CB-CE2 3.95Å; Q136-F158 HydrophobicContact CB-CZ 4.49Å; L154-F158 WeakPolarHBondContact O-CD2 3.32Å; L154-F158 PolarHBondContact O-N 2.91Å; L155-F158 PolarHBondContact O-N 2.66Å; F158-F160 VanDerWaalsContact C-N 3.31Å; F158-F160 PolarHBondContact O-N 3Å; F158-F161 PolarHBondContact O-N 3.4Å; F158-E162 WeakPolarHBondContact O-CB 3.41Å; F158-E162 PolarHBondContact O-N 3.07Å
159I98.2Very high97.9Very high35 Ų3551 Ų5118%0.17926%0.258CS..Hα-helixtrans-60.6-42.9173.8-70.6169.7000110.7Y33 R64 L155 D156 K163Y33-I159 HydrophobicContact CD2-CG1 4.28Å; Y33-I159 HydrophobicContact CE2-CG1 3.75Å; R64-I159 HydrophobicContact CB-CD1 3.78Å; R64-I159 HydrophobicContact CG-CD1 4.37Å; L155-I159 HydrophobicContact CD1-CD1 3.76Å; L155-I159 HydrophobicContact CD1-CG1 4.18Å; L155-I159 HydrophobicContact CG-CD1 3.83Å; L155-I159 WeakPolarHBondContact O-CG1 3.26Å; L155-I159 PolarHBondContact O-N 3.22Å; D156-I159 PolarHBondContact O-N 3.43Å; I159-K163 WeakPolarHBondContact O-CB 3.14Å; I159-K163 PolarHBondContact O-N 3.39Å; I159-K163 VanDerWaalsContact O-N 3.17Å
160F98.3Very high97.8Very high44 Ų4450.5 Ų50.519%0.19327%0.268CS..Hα-helixtrans-63.2-50.2177.8179.2-87.2000111.5D156 A157 F158 E162 K163 H164 E166 W172 T178D156-F160 WeakPolarHBondContact O-CB 3.38Å; D156-F160 PolarHBondContact O-N 3.36Å; A157-F160 PolarHBondContact O-N 2.77Å; F158-F160 VanDerWaalsContact C-N 3.31Å; F158-F160 PolarHBondContact O-N 3Å; F160-E162 VanDerWaalsContact C-N 3.34Å; F160-E162 PolarHBondContact O-N 3.25Å; F160-K163 PolarHBondContact O-N 3.08Å; F160-K163 VanDerWaalsContact O-N 3.13Å; F160-H164 AromaticContact CD2-CD2 3.42Å; F160-H164 VanDerWaalsContact CD2-CD2 3.42Å; F160-H164 WeakPolarHBondContact CD2-CD2 3.41Å; F160-H164 HydrophobicContact CE1-CB 4.08Å; F160-H164 HydrophobicContact CE2-CB 4.42Å; F160-H164 AromaticContact CE2-CD2 3.37Å; F160-H164 WeakPolarHBondContact CE2-CD2 3.38Å; F160-H164 AromaticContact CE2-CG 3.92Å; F160-H164 AromaticContact CE2-NE2 3.91Å; F160-H164 AromaticContact CG-CD2 3.96Å; F160-H164 HydrophobicContact CZ-CB 4.01Å; F160-H164 AromaticContact CZ-CD2 3.86Å; F160-H164 AromaticContact CZ-CG 3.98Å; F160-H164 WeakPolarHBondContact O-CB 3.4Å; F160-H164 PolarHBondContact O-CD2 3.46Å; F160-H164 PolarHBondContact O-N 3.37Å; F160-E166 HydrophobicContact CE1-CB 3.87Å; F160-E166 HydrophobicContact CZ-CB 4.41Å; F160-W172 HydrophobicContact CB-CH2 3.63Å; F160-W172 HydrophobicContact CB-CZ2 3.9Å; F160-W172 HydrophobicContact CD1-CZ2 4.11Å; F160-W172 HydrophobicContact CD2-CH2 4.24Å; F160-W172 AromaticContact CD2-CZ2 3.78Å; F160-W172 HydrophobicContact CD2-CZ2 3.78Å; F160-W172 HydrophobicContact CE2-CZ2 4.38Å; F160-W172 AromaticContact CG-CH2 3.93Å; F160-W172 HydrophobicContact CG-CH2 3.93Å; F160-W172 AromaticContact CG-CZ2 3.64Å; F160-W172 HydrophobicContact CG-CZ2 3.64Å; F160-T178 HydrophobicContact CD1-CG2 4.22Å; F160-T178 HydrophobicContact CE1-CG2 3.41Å; F160-T178 VanDerWaalsContact CE1-CG2 3.41Å; F160-T178 HydrophobicContact CZ-CG2 3.62Å
161F97.3Very high97.7Very high100 Ų10053.8 Ų53.844%0.43929%0.288SS..Hα-helixtrans-58.5-44.6178.7174.1-103.7000111.9A157 F158 K163 H164 G165 E166 V167A157-F161 WeakPolarHBondContact O-CB 3.38Å; A157-F161 PolarHBondContact O-N 2.94Å; F158-F161 PolarHBondContact O-N 3.4Å; F161-K163 VanDerWaalsContact C-N 3.26Å; F161-K163 PolarHBondContact O-N 2.84Å; F161-H164 PolarHBondContact O-N 2.89Å; F161-G165 WeakPolarHBondContact O-CA 3.35Å; F161-G165 PolarHBondContact O-N 2.77Å; F161-E166 WeakPolarHBondContact CD2-O 3.26Å; F161-V167 HydrophobicContact CD2-CG1 4.15Å; F161-V167 HydrophobicContact CE2-CG1 3.96Å
162E95.9Very high97.7Very high88 Ų8854.1 Ų54.141%0.41129%0.289SS..Hα-helixtrans-58.9-38177.3-174.2-172.9165.500112.1Y33 R130 F158 F160Y33-E162 WeakPolarHBondContact CE2-OE2 3.12Å; Y33-E162 PolarHBondContact OH-OE2 2.99Å; R130-E162 IonicContact CZ-OE1 3.71Å; R130-E162 IonicContact CZ-OE2 3.76Å; R130-E162 IonicContact NH1-OE1 2.67Å; R130-E162 PolarHBondContact NH1-OE1 3.43Å; R130-E162 IonicContact NH1-OE2 3.44Å; R130-E162 PolarHBondContact NH1-OE2 3.07Å; F158-E162 WeakPolarHBondContact O-CB 3.41Å; F158-E162 PolarHBondContact O-N 3.07Å; F160-E162 VanDerWaalsContact C-N 3.34Å; F160-E162 PolarHBondContact O-N 3.25Å
163K96.3Very high97.6Very high162 Ų16259.8 Ų59.870%0.70431%0.313SS*.Hα-helixtrans-80.8-36.4-177.3-177.2176.7173.4-171.50113.4I159 F160 F161I159-K163 WeakPolarHBondContact O-CB 3.14Å; I159-K163 PolarHBondContact O-N 3.39Å; I159-K163 VanDerWaalsContact O-N 3.17Å; F160-K163 PolarHBondContact O-N 3.08Å; F160-K163 VanDerWaalsContact O-N 3.13Å; F161-K163 VanDerWaalsContact C-N 3.26Å; F161-K163 PolarHBondContact O-N 2.84Å
164H97.1Very high97.5Very high95 Ų9560.5 Ų60.544%0.4432%0.324SS..Hα-helixtrans-113.7-21.5-166.9-65.4-75.3000114.3F160 F161 E166F160-H164 AromaticContact CD2-CD2 3.42Å; F160-H164 VanDerWaalsContact CD2-CD2 3.42Å; F160-H164 WeakPolarHBondContact CD2-CD2 3.41Å; F160-H164 HydrophobicContact CE1-CB 4.08Å; F160-H164 HydrophobicContact CE2-CB 4.42Å; F160-H164 AromaticContact CE2-CD2 3.37Å; F160-H164 WeakPolarHBondContact CE2-CD2 3.38Å; F160-H164 AromaticContact CE2-CG 3.92Å; F160-H164 AromaticContact CE2-NE2 3.91Å; F160-H164 AromaticContact CG-CD2 3.96Å; F160-H164 HydrophobicContact CZ-CB 4.01Å; F160-H164 AromaticContact CZ-CD2 3.86Å; F160-H164 AromaticContact CZ-CG 3.98Å; F160-H164 WeakPolarHBondContact O-CB 3.4Å; F160-H164 PolarHBondContact O-CD2 3.46Å; F160-H164 PolarHBondContact O-N 3.37Å; F161-H164 PolarHBondContact O-N 2.89Å; H164-E166 PolarHBondContact O-N 3.02Å
165G96.2Very high97.3Very high38 Ų3867.7 Ų67.739%0.39236%0.363SS..  trans70.41.5-173.700000114.5F161 P181F161-G165 WeakPolarHBondContact O-CA 3.35Å; F161-G165 PolarHBondContact O-N 2.77Å; G165-P181 WeakPolarHBondContact O-CD 3.46Å; G165-P181 WeakPolarHBondContact O-CG 3.48Å
166E96.8Very high97.2Very high47 Ų4770.2 Ų70.222%0.2238%0.38CS..PPolyproline II helixtrans-88.5140.9174-65.2-173.2-168.500110.5F160 F161 H164 T178 I179 K180F160-E166 HydrophobicContact CE1-CB 3.87Å; F160-E166 HydrophobicContact CZ-CB 4.41Å; F161-E166 WeakPolarHBondContact CD2-O 3.26Å; H164-E166 PolarHBondContact O-N 3.02Å; E166-T178 WeakPolarHBondContact OE2-CB 3.41Å; E166-T178 PolarHBondContact OE2-OG1 3.15Å; E166-I179 CarbonylContact C-O 3.57Å; E166-I179 WeakPolarHBondContact CA-O 3.36Å; E166-K180 HydrophobicContact CG-CG 3.95Å; E166-K180 WeakPolarHBondContact OE1-CE 3.43Å
167V97.8Very high97.1Very high51 Ų5171.7 Ų71.731%0.30940%0.396SS..BIsolated β-bridgetrans-88.8147.9-177.9-57.80000111.6F161 P169 I179 P181F161-V167 HydrophobicContact CD2-CG1 4.15Å; F161-V167 HydrophobicContact CE2-CG1 3.96Å; V167-P169 WeakPolarHBondContact O-CD 3.41Å; V167-I179 HydrophobicContact CG2-CB 3.72Å; V167-I179 HydrophobicContact CG2-CG2 4.37Å; V167-I179 WeakPolarHBondContact CG2-O 3.36Å; V167-I179 PolarHBondContact N-O 3.12Å; V167-I179 PolarHBondContact O-N 3.03Å; V167-P181 HydrophobicContact CG1-CB 4.02Å; V167-P181 HydrophobicContact CG1-CG 4.25Å
168C98.1Very high97Very high39 Ų3972.4 Ų72.426%0.26440%0.399SS..PPolyproline II helixtrans-93.7119.1-176.6-61.80000110.6A157 W172A157-C168 HydrophobicContact CB-CB 4.22Å; C168-W172 HydrophobicContact CB-CB 3.77Å; C168-W172 HydrophobicContact CB-CD2 3.87Å; C168-W172 HydrophobicContact CB-CE3 4.27Å; C168-W172 HydrophobicContact CB-CG 3.65Å
169P97.7Very high97Very high21 Ų2171 Ų7114%0.13639%0.394CS..  trans-62.9175.5175.4-22.733000114.2V167 N171 W172 A177 I179 Y189V167-P169 WeakPolarHBondContact O-CD 3.41Å; P169-N171 PolarHBondContact O-N 3.16Å; P169-W172 WeakPolarHBondContact O-CB 3.26Å; P169-W172 PolarHBondContact O-N 2.89Å; P169-W172 VanDerWaalsContact O-N 3.13Å; P169-A177 WeakPolarHBondContact CD-O 3.39Å; P169-A177 WeakPolarHBondContact CG-O 3.44Å; P169-I179 HydrophobicContact CG-CD1 3.95Å; P169-I179 HydrophobicContact CG-CG1 3.98Å; P169-Y189 VanDerWaalsContact CB-OH 3.32Å; P169-Y189 WeakPolarHBondContact CB-OH 3.5Å; P169-Y189 HydrophobicContact CG-CE1 4.36Å; P169-Y189 HydrophobicContact CG-CE2 3.6Å; P169-Y189 VanDerWaalsContact CG-OH 3.28Å; P169-Y189 WeakPolarHBondContact CG-OH 3.46Å
170A97Very high96.9Very high92 Ų9274.5 Ų74.576%0.7641%0.408SS*.THydrogen-bonded Turntrans-54137.1170.300000110.9W172A170-W172 PolarHBondContact O-N 2.97Å; A170-W172 VanDerWaalsContact O-N 3.15Å
171N96.5Very high96.8Very high141 Ų14176.7 Ų76.775%0.75443%0.427SS*.THydrogen-bonded Turntrans59.817.7-178.7-50.8-47.4000115.2P169 K173P169-N171 PolarHBondContact O-N 3.16Å; N171-K173 PolarHBondContact O-N 2.91Å
172W98.2Very high96.9Very high9 Ų975.7 Ų75.73%0.03443%0.426CS..  trans-56.7136.6178.4-179.692.7000111.6R153 D156 A157 F160 C168 P169 A170 P174 S176R153-W172 WeakPolarHBondContact CD-O 3.48Å; R153-W172 WeakPolarHBondContact CG-O 3.15Å; R153-W172 PolarHBondContact NH1-O 3.43Å; D156-W172 HydrophobicContact CB-CZ3 4.1Å; A157-W172 VanDerWaalsContact CA-CZ3 3.41Å; A157-W172 HydrophobicContact CB-CE3 3.77Å; A157-W172 HydrophobicContact CB-CZ3 3.87Å; F160-W172 HydrophobicContact CB-CH2 3.63Å; F160-W172 HydrophobicContact CB-CZ2 3.9Å; F160-W172 HydrophobicContact CD1-CZ2 4.11Å; F160-W172 HydrophobicContact CD2-CH2 4.24Å; F160-W172 AromaticContact CD2-CZ2 3.78Å; F160-W172 HydrophobicContact CD2-CZ2 3.78Å; F160-W172 HydrophobicContact CE2-CZ2 4.38Å; F160-W172 AromaticContact CG-CH2 3.93Å; F160-W172 HydrophobicContact CG-CH2 3.93Å; F160-W172 AromaticContact CG-CZ2 3.64Å; F160-W172 HydrophobicContact CG-CZ2 3.64Å; C168-W172 HydrophobicContact CB-CB 3.77Å; C168-W172 HydrophobicContact CB-CD2 3.87Å; C168-W172 HydrophobicContact CB-CE3 4.27Å; C168-W172 HydrophobicContact CB-CG 3.65Å; P169-W172 WeakPolarHBondContact O-CB 3.26Å; P169-W172 PolarHBondContact O-N 2.89Å; P169-W172 VanDerWaalsContact O-N 3.13Å; A170-W172 PolarHBondContact O-N 2.97Å; A170-W172 VanDerWaalsContact O-N 3.15Å; W172-P174 HydrophobicContact CH2-CG 4.46Å; W172-S176 PolarHBondContact NE1-O 2.86Å
173K96.8Very high96.9Very high131 Ų13176.7 Ų76.757%0.5744%0.44SS*.  trans-131.1161.5172.2-69.3-179-179.9-178.60108.8R153 N171 N175 S176R153-K173 HydrophobicContact CG-CG 4.36Å; N171-K173 PolarHBondContact O-N 2.91Å; K173-N175 PolarHBondContact O-N 2.64Å; K173-S176 PolarHBondContact N-OG 2.99Å; K173-S176 WeakPolarHBondContact O-CB 3.33Å; K173-S176 PolarHBondContact O-N 2.9Å; K173-S176 PolarHBondContact O-OG 2.91Å
174P96Very high97Very high63 Ų6374.2 Ų74.241%0.40944%0.438SS..THydrogen-bonded Turntrans-47138.5174.5-29.535.9000112.6D156 W172 S176D156-P174 HydrophobicContact CB-CG 4.15Å; W172-P174 HydrophobicContact CH2-CG 4.46Å; P174-S176 PolarHBondContact O-N 2.77Å
175N94.7Very high96.9Very high174 Ų17471.3 Ų71.393%0.9343%0.43SS*.THydrogen-bonded Turntrans69.15.1-175.4-44.6-52.4000116.2K173K173-N175 PolarHBondContact O-N 2.64Å
176S96.1Very high97Very high54 Ų5470.1 Ų70.138%0.37842%0.416SS..SBendtrans-79.1155.7170.4-54.50000111.3W172 K173 P174W172-S176 PolarHBondContact NE1-O 2.86Å; K173-S176 PolarHBondContact N-OG 2.99Å; K173-S176 WeakPolarHBondContact O-CB 3.33Å; K173-S176 PolarHBondContact O-N 2.9Å; K173-S176 PolarHBondContact O-OG 2.91Å; P174-S176 PolarHBondContact O-N 2.77Å
177A96.1Very high97Very high55 Ų5572.6 Ų72.646%0.45543%0.43SS..  trans-59.5144.9175.700000112.2P169 Y189P169-A177 WeakPolarHBondContact CD-O 3.39Å; P169-A177 WeakPolarHBondContact CG-O 3.44Å; A177-Y189 HydrophobicContact CB-CD2 3.91Å; A177-Y189 HydrophobicContact CB-CE2 3.76Å
178T97.5Very high96.9Very high27 Ų2774 Ų7417%0.16644%0.443CS..  trans-128.5166.6-17442.60000110.6F160 E166 Y189F160-T178 HydrophobicContact CD1-CG2 4.22Å; F160-T178 HydrophobicContact CE1-CG2 3.41Å; F160-T178 VanDerWaalsContact CE1-CG2 3.41Å; F160-T178 HydrophobicContact CZ-CG2 3.62Å; E166-T178 WeakPolarHBondContact OE2-CB 3.41Å; E166-T178 PolarHBondContact OE2-OG1 3.15Å; T178-Y189 VanDerWaalsContact O-CD2 3.3Å; T178-Y189 WeakPolarHBondContact O-CD2 3.5Å
179I97.7Very high96.8Very high26 Ų2674 Ų7413%0.13344%0.437CS..BIsolated β-bridgetrans-117.8127.5-175.5-51.1170.3000108.7E166 V167 P169 P181 Y189 F190E166-I179 CarbonylContact C-O 3.57Å; E166-I179 WeakPolarHBondContact CA-O 3.36Å; V167-I179 HydrophobicContact CG2-CB 3.72Å; V167-I179 HydrophobicContact CG2-CG2 4.37Å; V167-I179 WeakPolarHBondContact CG2-O 3.36Å; V167-I179 PolarHBondContact N-O 3.12Å; V167-I179 PolarHBondContact O-N 3.03Å; P169-I179 HydrophobicContact CG-CD1 3.95Å; P169-I179 HydrophobicContact CG-CG1 3.98Å; I179-P181 WeakPolarHBondContact O-CD 3.3Å; I179-Y189 HydrophobicContact CB-CG 4.48Å; I179-Y189 HydrophobicContact CD1-CD1 3.71Å; I179-Y189 HydrophobicContact CD1-CE1 3.69Å; I179-Y189 HydrophobicContact CD1-CG 4.24Å; I179-Y189 HydrophobicContact CG1-CD1 3.48Å; I179-Y189 VanDerWaalsContact CG1-CD1 3.48Å; I179-Y189 HydrophobicContact CG1-CD2 3.8Å; I179-Y189 HydrophobicContact CG1-CE1 3.82Å; I179-Y189 HydrophobicContact CG1-CE2 4.12Å; I179-Y189 HydrophobicContact CG1-CG 3.47Å; I179-Y189 VanDerWaalsContact CG1-CG 3.47Å; I179-F190 HydrophobicContact CD1-CZ 4.4Å
180K97.4Very high96.8Very high108 Ų10877.4 Ų77.447%0.4745%0.45SS..  trans-72.1121164.6-70.2176.9-178.3178.30108E166 D182 A185 S186E166-K180 HydrophobicContact CG-CG 3.95Å; E166-K180 WeakPolarHBondContact OE1-CE 3.43Å; K180-D182 PolarHBondContact O-N 3.18Å; K180-A185 HydrophobicContact CB-CB 3.73Å; K180-A185 HydrophobicContact CD-CB 4.05Å; K180-S186 WeakPolarHBondContact O-CB 3.46Å
181P96.4Very high96.7Very high90 Ų9077.3 Ų77.358%0.58444%0.444SS*.SBendtrans-77.260.9-172.732.9-36.9000111.8G165 V167 I179G165-P181 WeakPolarHBondContact O-CD 3.46Å; G165-P181 WeakPolarHBondContact O-CG 3.48Å; V167-P181 HydrophobicContact CG1-CB 4.02Å; V167-P181 HydrophobicContact CG1-CG 4.25Å; I179-P181 WeakPolarHBondContact O-CD 3.3Å
182D97.7Very high96.5Very high78 Ų7874.5 Ų74.542%0.41744%0.435SS..SBendtrans-138.4137.9177.4169-94000108.9K180 V184 A185 S186K180-D182 PolarHBondContact O-N 3.18Å; D182-V184 PolarHBondContact O-N 3.36Å; D182-V184 VanDerWaalsContact O-N 3.15Å; D182-V184 WeakPolarHBondContact OD1-CA 3.43Å; D182-V184 WeakPolarHBondContact OD1-CB 3.38Å; D182-V184 PolarHBondContact OD1-N 2.88Å; D182-A185 HydrophobicContact CB-CB 3.96Å; D182-A185 PolarHBondContact O-N 3.13Å; D182-A185 PolarHBondContact OD1-N 3.48Å; D182-S186 WeakPolarHBondContact O-CB 3.28Å; D182-S186 PolarHBondContact O-N 2.96Å; D182-S186 PolarHBondContact O-OG 3.41Å
183P96.8Very high96.2Very high109 Ų10977.1 Ų77.171%0.70845%0.452SS*.THydrogen-bonded Turntrans-56.3-31.1-176.7-28.336.2000114.8S186P183-S186 PolarHBondContact O-OG 3.22Å
184V97.5Very high95.4Very high111 Ų11180.5 Ų80.567%0.67347%0.47SS*.THydrogen-bonded Turntrans-90.5-47.8-179.9-1780000110.6D182 S186 L187D182-V184 PolarHBondContact O-N 3.36Å; D182-V184 VanDerWaalsContact O-N 3.15Å; D182-V184 WeakPolarHBondContact OD1-CA 3.43Å; D182-V184 WeakPolarHBondContact OD1-CB 3.38Å; D182-V184 PolarHBondContact OD1-N 2.88Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 3.07Å; V184-L187 WeakPolarHBondContact O-CB 3.42Å; V184-L187 WeakPolarHBondContact O-CG 3.41Å; V184-L187 PolarHBondContact O-N 3.42Å
185A96.7Very high95.4Very high33 Ų3381.4 Ų81.427%0.27347%0.473SS..THydrogen-bonded Turntrans-68.2-27.9-176.600000112.8K180 D182 L187 S188K180-A185 HydrophobicContact CB-CB 3.73Å; K180-A185 HydrophobicContact CD-CB 4.05Å; D182-A185 HydrophobicContact CB-CB 3.96Å; D182-A185 PolarHBondContact O-N 3.13Å; D182-A185 PolarHBondContact OD1-N 3.48Å; A185-L187 PolarHBondContact O-N 3.1Å; A185-S188 PolarHBondContact O-N 2.92Å; A185-S188 PolarHBondContact O-OG 3.16Å; A185-S188 VanDerWaalsContact O-OG 3.09Å
186S97.2Very high95.5Very high14 Ų1476.5 Ų76.510%0.09845%0.449CS..THydrogen-bonded Turntrans-64.7-23176.562.90000113.6K180 D182 P183 V184 S188 Y189 F190K180-S186 WeakPolarHBondContact O-CB 3.46Å; D182-S186 WeakPolarHBondContact O-CB 3.28Å; D182-S186 PolarHBondContact O-N 2.96Å; D182-S186 PolarHBondContact O-OG 3.41Å; P183-S186 PolarHBondContact O-OG 3.22Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 3.07Å; S186-S188 PolarHBondContact O-N 2.98Å; S186-S188 VanDerWaalsContact O-N 3.16Å; S186-Y189 WeakPolarHBondContact O-CB 3.48Å; S186-Y189 PolarHBondContact O-N 3.11Å; S186-F190 VanDerWaalsContact O-CD2 3.27Å; S186-F190 WeakPolarHBondContact O-CD2 3.36Å; S186-F190 PolarHBondContact O-N 3.36Å
187L96.7Very high95.4Very high98 Ų9877.8 Ų77.851%0.51345%0.453SS..Hα-helixtrans-60.9-26.2-179.6-62.7177.9000112.9V184 A185 Y189 F190 S191V184-L187 WeakPolarHBondContact O-CB 3.42Å; V184-L187 WeakPolarHBondContact O-CG 3.41Å; V184-L187 PolarHBondContact O-N 3.42Å; A185-L187 PolarHBondContact O-N 3.1Å; L187-Y189 VanDerWaalsContact C-N 3.3Å; L187-Y189 PolarHBondContact O-N 3.27Å; L187-F190 PolarHBondContact O-N 3.45Å; L187-S191 WeakPolarHBondContact O-CB 3.4Å; L187-S191 PolarHBondContact O-N 2.91Å; L187-S191 PolarHBondContact O-OG 3.41Å
188S96Very high95.4Very high82 Ų8279.1 Ų79.157%0.57345%0.452SS*.Hα-helixtrans-64.5-37.2175.268.50000112A185 S186 S192A185-S188 PolarHBondContact O-N 2.92Å; A185-S188 PolarHBondContact O-OG 3.16Å; A185-S188 VanDerWaalsContact O-OG 3.09Å; S186-S188 PolarHBondContact O-N 2.98Å; S186-S188 VanDerWaalsContact O-N 3.16Å; S188-S192 PolarHBondContact O-N 3.27Å
189Y97Very high95.2Very high39 Ų3982.4 Ų82.415%0.15347%0.47CS..Hα-helixtrans-68.9-52.7175.3171.8-93.3000110.5P169 A177 T178 I179 S186 L187 S191 S192 V193P169-Y189 VanDerWaalsContact CB-OH 3.32Å; P169-Y189 WeakPolarHBondContact CB-OH 3.5Å; P169-Y189 HydrophobicContact CG-CE1 4.36Å; P169-Y189 HydrophobicContact CG-CE2 3.6Å; P169-Y189 VanDerWaalsContact CG-OH 3.28Å; P169-Y189 WeakPolarHBondContact CG-OH 3.46Å; A177-Y189 HydrophobicContact CB-CD2 3.91Å; A177-Y189 HydrophobicContact CB-CE2 3.76Å; T178-Y189 VanDerWaalsContact O-CD2 3.3Å; T178-Y189 WeakPolarHBondContact O-CD2 3.5Å; I179-Y189 HydrophobicContact CB-CG 4.48Å; I179-Y189 HydrophobicContact CD1-CD1 3.71Å; I179-Y189 HydrophobicContact CD1-CE1 3.69Å; I179-Y189 HydrophobicContact CD1-CG 4.24Å; I179-Y189 HydrophobicContact CG1-CD1 3.48Å; I179-Y189 VanDerWaalsContact CG1-CD1 3.48Å; I179-Y189 HydrophobicContact CG1-CD2 3.8Å; I179-Y189 HydrophobicContact CG1-CE1 3.82Å; I179-Y189 HydrophobicContact CG1-CE2 4.12Å; I179-Y189 HydrophobicContact CG1-CG 3.47Å; I179-Y189 VanDerWaalsContact CG1-CG 3.47Å; S186-Y189 WeakPolarHBondContact O-CB 3.48Å; S186-Y189 PolarHBondContact O-N 3.11Å; L187-Y189 VanDerWaalsContact C-N 3.3Å; L187-Y189 PolarHBondContact O-N 3.27Å; Y189-S191 PolarHBondContact O-N 2.77Å; Y189-S192 WeakPolarHBondContact O-CB 3.18Å; Y189-S192 PolarHBondContact O-N 2.88Å; Y189-S192 PolarHBondContact O-OG 3.03Å; Y189-V193 HydrophobicContact CD1-CG2 4.18Å; Y189-V193 HydrophobicContact CD2-CG1 4.31Å; Y189-V193 HydrophobicContact CE1-CG1 4.31Å; Y189-V193 HydrophobicContact CE1-CG2 3.78Å; Y189-V193 HydrophobicContact CE2-CG1 3.83Å; Y189-V193 PolarHBondContact O-N 3.28Å
190F96.3Very high95.1Very high91 Ų9186.1 Ų86.140%0.39949%0.493SS..Hα-helixtrans-62-31.7-175.4-66.5-62.5000113I179 S186 L187 S192I179-F190 HydrophobicContact CD1-CZ 4.4Å; S186-F190 VanDerWaalsContact O-CD2 3.27Å; S186-F190 WeakPolarHBondContact O-CD2 3.36Å; S186-F190 PolarHBondContact O-N 3.36Å; L187-F190 PolarHBondContact O-N 3.45Å; F190-S192 VanDerWaalsContact C-N 3.29Å; F190-S192 PolarHBondContact O-N 2.67Å
191S95.6Very high94.9Very high90 Ų9084.6 Ų84.663%0.62950%0.495SS*.Hα-helixtrans-75.2-14.7174.2-50.60000114L187 Y189L187-S191 WeakPolarHBondContact O-CB 3.4Å; L187-S191 PolarHBondContact O-N 2.91Å; L187-S191 PolarHBondContact O-OG 3.41Å; Y189-S191 PolarHBondContact O-N 2.77Å
192S92.9Very high94.8Very high82 Ų8284.2 Ų84.257%0.57349%0.488SS*.Hα-helixtrans-95.9-18.3-178.673.60000113.8S188 Y189 F190S188-S192 PolarHBondContact O-N 3.27Å; Y189-S192 WeakPolarHBondContact O-CB 3.18Å; Y189-S192 PolarHBondContact O-N 2.88Å; Y189-S192 PolarHBondContact O-OG 3.03Å; F190-S192 VanDerWaalsContact C-N 3.29Å; F190-S192 PolarHBondContact O-N 2.67Å
193V91.7Very high94.6Very high65 Ų6584.7 Ų84.739%0.39449%0.493SS..Hα-helixtrans-110.7-2.9-175.3-59.40000113.3Y189Y189-V193 HydrophobicContact CD1-CG2 4.18Å; Y189-V193 HydrophobicContact CD2-CG1 4.31Å; Y189-V193 HydrophobicContact CE1-CG1 4.31Å; Y189-V193 HydrophobicContact CE1-CG2 3.78Å; Y189-V193 HydrophobicContact CE2-CG1 3.83Å; Y189-V193 PolarHBondContact O-N 3.28Å
194H80.3Confident94.4Very high202 Ų20282.5 Ų82.594%0.93547%0.474SS*.  trans-132.90177.3-64.5-51.4000109.9

Retrieved 194 of 194 residues in 63.6 ms (Link to these results)

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