A0A077ZCN8_TRITR Loading...

GTP binding protein 5

AlphaFold DB , UniProt , Accession A0A077ZCN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 291 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
1M86.1Confident86Confident108 Ų108112.7 Ų112.753%0.53256%0.562SS.*  0147.20-175.6-175.8-15700109.9G85 N86M1-G85 WeakPolarHBondContact O-CA 3.47Å; M1-N86 PolarHBondContact O-N 2.88Å
2V90.2Very high85.6Confident60 Ų60121.2 Ų121.236%0.36458%0.583SS.*  trans-103.3116.2170-178.40000108.8F4 N86 A100V2-F4 HydrophobicContact CG1-CE2 3.83Å; V2-N86 HydrophobicContact CG1-CB 4.35Å; V2-N86 HydrophobicContact CG2-CB 4.34Å; V2-A100 HydrophobicContact CG2-CB 3.88Å
3A90.7Very high85.4Confident15 Ų15113.6 Ų113.612%0.12455%0.552CS.*  trans-140.6153.9173.200000110.1P15 A16 G17 N86A3-P15 WeakPolarHBondContact O-CA 3.1Å; A3-A16 PolarHBondContact O-N 3.45Å; A3-G17 PolarHBondContact O-N 3.06Å; A3-N86 PolarHBondContact N-OD1 3.48Å; A3-N86 PolarHBondContact O-ND2 3.27Å; A3-N86 PolarHBondContact O-OD1 3.23Å; A3-N86 VanDerWaalsContact O-OD1 3.13Å
4F91.1Very high85.8Confident77 Ų77106.8 Ų106.834%0.33853%0.526SS..BIsolated β-bridgetrans-126.4142.1175-68.7-85.5000108.7V2 R6 G14 P15 N96 P97 M98V2-F4 HydrophobicContact CG1-CE2 3.83Å; F4-R6 PolarHBondContact O-N 3.43Å; F4-G14 WeakPolarHBondContact CA-O 3.43Å; F4-P15 HydrophobicContact CD1-CB 4.43Å; F4-P15 HydrophobicContact CE1-CB 4.26Å; F4-N96 HydrophobicContact CE1-CB 3.79Å; F4-N96 HydrophobicContact CZ-CB 4.28Å; F4-P97 WeakPolarHBondContact CZ-O 3.39Å; F4-M98 HydrophobicContact CE2-CG 4.32Å; F4-M98 HydrophobicContact CZ-CG 4.12Å
5L89.2Confident86.3Confident62 Ų62101.1 Ų101.133%0.32550%0.501SS..  trans-66.6135.7177.7-156.174.6000108.5L7 A13 G14 A16 K55L5-L7 HydrophobicContact CD2-CD1 3.65Å; L5-L7 HydrophobicContact CD2-CD2 4.05Å; L5-L7 HydrophobicContact CD2-CG 3.71Å; L5-L7 HydrophobicContact CG-CD2 4.41Å; L5-L7 HydrophobicContact CG-CG 4.1Å; L5-A13 HydrophobicContact CB-CB 3.8Å; L5-A13 WeakPolarHBondContact CB-O 3.44Å; L5-A13 HydrophobicContact CD2-CB 4.25Å; L5-A13 HydrophobicContact CG-CB 4.4Å; L5-A13 WeakPolarHBondContact O-CB 3.49Å; L5-G14 PolarHBondContact N-O 3.01Å; L5-A16 HydrophobicContact CB-CB 4.05Å; L5-A16 HydrophobicContact CD1-CB 4.06Å; L5-K55 HydrophobicContact CD1-CB 4.49Å; L5-K55 HydrophobicContact CD1-CG 4.37Å
6R84Confident86.7Confident243 Ų24394.9 Ų94.992%0.91747%0.47SS*.  trans-111.4106.5172.5-70.7-175.3-178.9176.70.7107.9F4F4-R6 PolarHBondContact O-N 3.43Å
7L85.8Confident87.2Confident94 Ų9489.4 Ų89.449%0.49244%0.443SS..BIsolated β-bridgetrans-113.2146.5175.9-68.1177.8000109.3L5 C9 N10 A13L5-L7 HydrophobicContact CD2-CD1 3.65Å; L5-L7 HydrophobicContact CD2-CD2 4.05Å; L5-L7 HydrophobicContact CD2-CG 3.71Å; L5-L7 HydrophobicContact CG-CD2 4.41Å; L5-L7 HydrophobicContact CG-CG 4.1Å; L7-C9 PolarHBondContact O-N 3.17Å; L7-N10 HydrophobicContact CB-CB 4.05Å; L7-N10 PolarHBondContact O-N 3.35Å; L7-A13 HydrophobicContact CB-CB 4.22Å; L7-A13 HydrophobicContact CD1-CB 3.91Å; L7-A13 HydrophobicContact CG-CB 4.02Å
8W86.1Confident87.5Confident256 Ų25684.4 Ų84.497%0.9742%0.418SS*.THydrogen-bonded Turntrans-61.1130.2175.5-179.542000110.2N10W8-N10 PolarHBondContact O-N 3.08Å; W8-N10 VanDerWaalsContact O-N 3.11Å
9C83.3Confident88Confident128 Ų12881.5 Ų81.587%0.86541%0.405SS*.THydrogen-bonded Turntrans60.514.7179.3-144.60000116.1L7L7-C9 PolarHBondContact O-N 3.17Å
10N82.7Confident88.3Confident73 Ų7378.6 Ų78.639%0.3940%0.396SS..BIsolated β-bridgetrans-126.899175.6-176.82.2000110.8L7 W8 R12 A13L7-N10 HydrophobicContact CB-CB 4.05Å; L7-N10 PolarHBondContact O-N 3.35Å; W8-N10 PolarHBondContact O-N 3.08Å; W8-N10 VanDerWaalsContact O-N 3.11Å; N10-R12 VanDerWaalsContact C-N 3.25Å; N10-R12 PolarHBondContact O-N 3Å; N10-R12 PolarHBondContact OD1-N 3.26Å; N10-A13 PolarHBondContact OD1-N 3.09Å
11S77.4Confident88.6Confident124 Ų12475.2 Ų75.287%0.86738%0.381SS*.THydrogen-bonded Turntrans-75.7-10.5177.956.10000113.8
12R80.8Confident89.1Confident214 Ų21472.3 Ų72.381%0.80837%0.372SS*.THydrogen-bonded Turntrans-11634.9-176.3-63.5-175.1179.1173.7-0.1112.3N10 G14N10-R12 VanDerWaalsContact C-N 3.25Å; N10-R12 PolarHBondContact O-N 3Å; N10-R12 PolarHBondContact OD1-N 3.26Å; R12-G14 PolarHBondContact O-N 2.85Å; R12-G14 VanDerWaalsContact O-N 3.1Å
13A83Confident89.3Confident23 Ų2369.9 Ų69.919%0.1936%0.359CS..  trans-71.6-1.3-175.900000114.6L5 L7 N10L5-A13 HydrophobicContact CB-CB 3.8Å; L5-A13 WeakPolarHBondContact CB-O 3.44Å; L5-A13 HydrophobicContact CD2-CB 4.25Å; L5-A13 HydrophobicContact CG-CB 4.4Å; L5-A13 WeakPolarHBondContact O-CB 3.49Å; L7-A13 HydrophobicContact CB-CB 4.22Å; L7-A13 HydrophobicContact CD1-CB 3.91Å; L7-A13 HydrophobicContact CG-CB 4.02Å; N10-A13 PolarHBondContact OD1-N 3.09Å
14G90.4Very high89.6Confident18 Ų1869.3 Ų69.319%0.18635%0.354CS..  trans79.8178167.700000115.4F4 L5 R12F4-G14 WeakPolarHBondContact CA-O 3.43Å; L5-G14 PolarHBondContact N-O 3.01Å; R12-G14 PolarHBondContact O-N 2.85Å; R12-G14 VanDerWaalsContact O-N 3.1Å
15P93.5Very high89.8Confident22 Ų2268.4 Ų68.414%0.14335%0.351CS..BIsolated β-bridgetrans-72.5143.7-178.729.6-33.4000110.6A3 F4 N86 A90 Q95 P97A3-P15 WeakPolarHBondContact O-CA 3.1Å; F4-P15 HydrophobicContact CD1-CB 4.43Å; F4-P15 HydrophobicContact CE1-CB 4.26Å; P15-N86 WeakPolarHBondContact CB-ND2 3.39Å; P15-A90 HydrophobicContact CG-CB 3.65Å; P15-Q95 WeakPolarHBondContact CD-O 3.39Å; P15-P97 HydrophobicContact CB-CG 4.31Å; P15-P97 HydrophobicContact CG-CG 4.36Å
16A93.3Very high90Very high2 Ų266 Ų662%0.01734%0.339CS..  trans-144.516.4-172.700000112.8A3 L5 S54 K55 S56A3-A16 PolarHBondContact O-N 3.45Å; L5-A16 HydrophobicContact CB-CB 4.05Å; L5-A16 HydrophobicContact CD1-CB 4.06Å; A16-S54 CarbonylContact O-C 3.54Å; A16-S54 WeakPolarHBondContact O-CA 3.36Å; A16-K55 PolarHBondContact O-N 2.96Å; A16-S56 PolarHBondContact O-N 2.94Å
17G94.4Very high90.3Very high0 Ų055.4 Ų55.40%030%0.3CS..PPolyproline II helixtrans-82.3119.6172.300000109.8A3 G85 N86 Q87A3-G17 PolarHBondContact O-N 3.06Å; G17-G85 WeakPolarHBondContact O-CA 3.36Å; G17-N86 WeakPolarHBondContact CA-OD1 3.29Å; G17-N86 PolarHBondContact N-OD1 2.93Å; G17-Q87 WeakPolarHBondContact O-CB 3.18Å; G17-Q87 PolarHBondContact O-N 3.33Å
18G94.1Very high90.4Very high0 Ų052.1 Ų52.10%028%0.282CS..PPolyproline II helixtrans-79161.917400000113.1G53 G85G18-G53 PolarHBondContact N-O 2.94Å; G18-G85 WeakPolarHBondContact O-CA 3.31Å
19D95.5Very high90.3Very high30 Ų3042.6 Ų42.616%0.1625%0.249CC..PPolyproline II helixtrans-72.6150.6173.4-58-4.7000110.9G52 F58 G59 G83 H84 G85D19-G52 WeakPolarHBondContact O-CA 3.35Å; D19-F58 HydrophobicContact CB-CD1 3.76Å; D19-F58 HydrophobicContact CB-CE1 4.1Å; D19-F58 WeakPolarHBondContact O-CA 3.4Å; D19-G59 PolarHBondContact O-N 3.26Å; D19-G83 CarbonylContact C-O 3.57Å; D19-G83 WeakPolarHBondContact CA-O 3.29Å; D19-H84 WeakPolarHBondContact OD1-CA 3.25Å; D19-H84 IonicContact OD1-ND1 2.7Å; D19-H84 IonicContact OD2-CE1 3.9Å; D19-H84 IonicContact OD2-ND1 3.44Å; D19-H84 PolarHBondContact OD2-ND1 3.38Å; D19-G85 PolarHBondContact OD1-N 2.7Å
20G95.3Very high89.8Confident22 Ų2239 Ų3923%0.22723%0.229CC..PPolyproline II helixtrans-76.4151.8170.700000111.9G82 G83G20-G82 VanDerWaalsContact O-CA 3.26Å; G20-G82 WeakPolarHBondContact O-CA 3.14Å; G20-G83 PolarHBondContact N-O 3.23Å
21G94.9Very high89.1Confident9 Ų937 Ų379%0.09322%0.22CC..PPolyproline II helixtrans-76.8152.9171.900000111.9E50 G59 N61G21-E50 PolarHBondContact N-O 2.9Å; G21-G59 WeakPolarHBondContact CA-O 3.45Å; G21-N61 WeakPolarHBondContact CA-OD1 3.22Å
22S95.2Very high88.2Confident47 Ų4734.6 Ų34.633%0.32921%0.208SC..PPolyproline II helixtrans-76.7144.4175.4-58.90000111.3G49 N61 A62 G80 G82S22-G49 WeakPolarHBondContact O-CA 3.04Å; S22-N61 PolarHBondContact N-OD1 3.46Å; S22-N61 WeakPolarHBondContact O-CA 3.37Å; S22-A62 PolarHBondContact O-N 3.48Å; S22-G80 WeakPolarHBondContact CA-O 3.5Å; S22-G82 PolarHBondContact OG-N 3.2Å
23G95.6Very high86.9Confident9 Ų925.4 Ų25.49%0.09318%0.18CC..PPolyproline II helixtrans-69.2152.9171.600000112.2G80G23-G80 PolarHBondContact N-O 2.88Å
24G95.3Very high85.5Confident3 Ų325.3 Ų25.33%0.03118%0.18CC..PPolyproline II helixtrans-67.1149.8174.100000111.7A46 T47 G79G24-A46 VanDerWaalsContact C-CB 3.43Å; G24-A46 WeakPolarHBondContact O-CB 3.4Å; G24-T47 PolarHBondContact N-O 3.42Å; G24-G79 WeakPolarHBondContact O-CA 3.43Å; G24-G79 PolarHBondContact O-N 3.41Å
25H95.8Very high83.9Confident58 Ų5827 Ų2727%0.26918%0.18SC..PPolyproline II helixtrans-87.5155.9169.1-48.2-63.7000110.5I27 H64 T65 V75 A77 R78 G79H25-I27 HydrophobicContact CB-CD1 4.26Å; H25-I27 HydrophobicContact CB-CG1 4.01Å; H25-H64 AromaticContact CD2-CE1 3.27Å; H25-H64 PolarHBondContact CD2-CE1 3.01Å; H25-H64 AromaticContact CD2-ND1 3.68Å; H25-H64 AromaticContact CD2-NE2 3.66Å; H25-H64 PolarHBondContact N-ND1 3.49Å; H25-H64 VanDerWaalsContact N-ND1 3.16Å; H25-H64 AromaticContact NE2-CE1 3.85Å; H25-H64 WeakPolarHBondContact O-CA 3.07Å; H25-H64 WeakPolarHBondContact O-CB 3.34Å; H25-T65 PolarHBondContact O-N 3.47Å; H25-V75 HydrophobicContact CB-CG1 4.44Å; H25-A77 CarbonylContact C-O 3.59Å; H25-A77 WeakPolarHBondContact CA-O 3.48Å; H25-R78 VanDerWaalsContact ND1-CA 3.28Å; H25-R78 WeakPolarHBondContact ND1-CA 3.22Å; H25-G79 PolarHBondContact ND1-N 3.36Å
26V92.9Very high82Confident12 Ų1228.9 Ų28.97%0.07319%0.194CC..EExtended strand (participates in β ladder)trans-97118.9165.6-1780000108V44 A46 T65 I67 A76 A77V26-V44 HydrophobicContact CG1-CB 4.47Å; V26-V44 HydrophobicContact CG1-CG1 3.97Å; V26-V44 HydrophobicContact CG2-CG1 4.4Å; V26-A46 HydrophobicContact CG2-CB 3.86Å; V26-T65 WeakPolarHBondContact CA-O 3.45Å; V26-I67 HydrophobicContact CG1-CD1 3.56Å; V26-I67 HydrophobicContact CG1-CG1 4.18Å; V26-A76 HydrophobicContact CG1-CB 4.39Å; V26-A76 PolarHBondContact O-N 3.49Å; V26-A77 HydrophobicContact CB-CB 4.33Å; V26-A77 PolarHBondContact N-O 3.25Å; V26-A77 PolarHBondContact O-N 3.18Å
27I91.6Very high80.3Confident20 Ų2031.6 Ų31.610%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-125122.6-172.5-54175.6000109H25 I29 H64 T65 Y66 I67 V73 V75H25-I27 HydrophobicContact CB-CD1 4.26Å; H25-I27 HydrophobicContact CB-CG1 4.01Å; I27-I29 HydrophobicContact CG2-CG2 4.22Å; I27-H64 HydrophobicContact CD1-CB 4.22Å; I27-T65 PolarHBondContact N-O 3.32Å; I27-Y66 HydrophobicContact CB-CD1 4.12Å; I27-Y66 HydrophobicContact CB-CE1 4.36Å; I27-Y66 HydrophobicContact CD1-CE1 4.1Å; I27-Y66 HydrophobicContact CG2-CD1 4.49Å; I27-Y66 CarbonylContact O-C 3.54Å; I27-Y66 WeakPolarHBondContact O-CA 3.47Å; I27-I67 PolarHBondContact O-N 3.49Å; I27-V73 HydrophobicContact CG2-CG1 3.74Å; I27-V75 HydrophobicContact CG1-CG2 4.47Å
28F86.8Confident78.5Confident25 Ų2536 Ų3611%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-77.4126.9164.8-74.2-83.4000109.6I40 I67 V73 F74 A76F28-I40 HydrophobicContact CE1-CD1 4.22Å; F28-I67 CarbonylContact C-O 3.46Å; F28-I67 WeakPolarHBondContact CA-O 3.39Å; F28-I67 HydrophobicContact CD1-CB 3.62Å; F28-I67 HydrophobicContact CD1-CD1 4.33Å; F28-I67 HydrophobicContact CD1-CG2 3.66Å; F28-I67 HydrophobicContact CE1-CB 3.72Å; F28-I67 HydrophobicContact CE1-CD1 3.79Å; F28-I67 HydrophobicContact CE1-CG1 4.4Å; F28-I67 HydrophobicContact CE1-CG2 3.41Å; F28-I67 VanDerWaalsContact CE1-CG2 3.41Å; F28-I67 HydrophobicContact CE2-CD1 4.13Å; F28-I67 HydrophobicContact CG-CB 4.33Å; F28-I67 HydrophobicContact CZ-CB 4.46Å; F28-I67 HydrophobicContact CZ-CD1 3.68Å; F28-I67 HydrophobicContact CZ-CG2 4.34Å; F28-V73 CarbonylContact O-C 3.52Å; F28-V73 VanDerWaalsContact O-CA 3.3Å; F28-V73 WeakPolarHBondContact O-CA 3.28Å; F28-F74 HydrophobicContact CB-CB 4.32Å; F28-F74 AromaticContact CD2-CD1 3.95Å; F28-F74 HydrophobicContact CD2-CD1 3.95Å; F28-F74 PolarHBondContact N-O 3.23Å; F28-F74 PolarHBondContact O-N 3.2Å; F28-A76 HydrophobicContact CD2-CB 3.53Å; F28-A76 HydrophobicContact CE2-CB 3.47Å; F28-A76 VanDerWaalsContact CE2-CB 3.47Å
29I84.4Confident77Confident55 Ų5545.7 Ų45.728%0.28228%0.28SS..EExtended strand (participates in β ladder)trans-110.2140.1175.256.3169000110.1I27 S31 Y66 I67 E68 S69I27-I29 HydrophobicContact CG2-CG2 4.22Å; I29-S31 PolarHBondContact O-N 2.88Å; I29-Y66 HydrophobicContact CG2-CD1 3.71Å; I29-Y66 HydrophobicContact CG2-CE1 4.4Å; I29-I67 PolarHBondContact N-O 3.16Å; I29-E68 HydrophobicContact CD1-CG 4.24Å; I29-E68 HydrophobicContact CG1-CG 4.26Å; I29-S69 PolarHBondContact O-N 2.96Å
30A73.4Confident75.8Confident53 Ų5346 Ų4644%0.43828%0.282SS..EExtended strand (participates in β ladder)trans-62115.4172.400000110.5S69 G71A30-S69 CarbonylContact C-O 3.6Å; A30-S69 VanDerWaalsContact CA-O 3.23Å; A30-S69 WeakPolarHBondContact CA-O 3.24Å; A30-G71 WeakPolarHBondContact CB-O 3.36Å
31S67.8Low74.7Confident30 Ų3048.8 Ų48.821%0.2130%0.296CS..  trans-128129.5172.3172.90000108.9I29 G33 A34 E68 S69I29-S31 PolarHBondContact O-N 2.88Å; S31-G33 PolarHBondContact O-N 2.75Å; S31-G33 PolarHBondContact OG-N 3.2Å; S31-A34 PolarHBondContact O-N 2.81Å; S31-E68 WeakPolarHBondContact CB-OE2 3.45Å; S31-E68 PolarHBondContact OG-OE2 2.81Å; S31-S69 PolarHBondContact N-O 3.49Å
32A58.2Low74.1Confident75 Ų7556.6 Ų56.662%0.6234%0.336SS*.THydrogen-bonded Turntrans-62-20.3174.700000112.2R35A32-R35 PolarHBondContact O-NH1 3.13Å; A32-R35 PolarHBondContact O-NH2 2.87Å
33G53Low73.7Confident21 Ų2159 Ų5922%0.21635%0.348CS..THydrogen-bonded Turntrans-88.9-5-179.700000115.4S31 R35S31-G33 PolarHBondContact O-N 2.75Å; S31-G33 PolarHBondContact OG-N 3.2Å; G33-R35 PolarHBondContact O-N 3.48Å
34A54.9Low73.4Confident21 Ų2160.6 Ų60.617%0.17436%0.356CS..  trans-7758.8-172.300000113.9S31 E68 S69 E70S31-A34 PolarHBondContact O-N 2.81Å; A34-E68 HydrophobicContact CB-CB 4.24Å; A34-S69 VanDerWaalsContact CB-CA 3.47Å; A34-E70 HydrophobicContact CB-CG 4.27Å; A34-E70 WeakPolarHBondContact O-CG 3.16Å
35R55.7Low73.2Confident54 Ų5470.2 Ų70.220%0.20439%0.391CS..  trans-97.78.6-171.6-66.2-168.1179.6104.1-2.3114.3A32 G33 L117 Q289A32-R35 PolarHBondContact O-NH1 3.13Å; A32-R35 PolarHBondContact O-NH2 2.87Å; G33-R35 PolarHBondContact O-N 3.48Å; R35-L117 HydrophobicContact CB-CD1 3.4Å; R35-L117 HydrophobicContact CG-CD1 3.76Å; R35-L117 WeakPolarHBondContact O-CD1 3.46Å; R35-Q289 PolarHBondContact NH1-O 3.34Å
36S54.4Low73.1Confident60 Ų6068.8 Ų68.842%0.4239%0.389SS..  trans-150.2131.7-178.8-1790000111.6A38S36-A38 PolarHBondContact O-N 3.42Å; S36-A38 VanDerWaalsContact OG-CB 3.32Å; S36-A38 WeakPolarHBondContact OG-CB 3.33Å; S36-A38 PolarHBondContact OG-N 2.85Å
37L57.7Low73.1Confident59 Ų5971.1 Ų71.131%0.30940%0.404SS..G310 helixtrans-72.8-11171.9-64-177.7000112.8R39 I40 V113 L115L37-R39 PolarHBondContact O-N 3.27Å; L37-I40 HydrophobicContact CD2-CD1 3.85Å; L37-I40 PolarHBondContact O-N 3.13Å; L37-V113 HydrophobicContact CD1-CB 4.47Å; L37-V113 HydrophobicContact CD1-CG1 4.17Å; L37-V113 HydrophobicContact CD2-CB 4.38Å; L37-V113 HydrophobicContact CD2-CG1 3.46Å; L37-V113 VanDerWaalsContact CD2-CG1 3.46Å; L37-V113 HydrophobicContact CG-CG1 4.48Å; L37-L115 HydrophobicContact CD1-CB 3.87Å; L37-L115 HydrophobicContact CG-CB 4.05Å; L37-L115 HydrophobicContact CG-CD1 4.08Å
38A56.7Low73.2Confident92 Ų9275.5 Ų75.576%0.7643%0.433SS*.G310 helixtrans-61.2-19.9-177.100000113.7S36S36-A38 PolarHBondContact O-N 3.42Å; S36-A38 VanDerWaalsContact OG-CB 3.32Å; S36-A38 WeakPolarHBondContact OG-CB 3.33Å; S36-A38 PolarHBondContact OG-N 2.85Å
39R62.9Low73.5Confident204 Ų20475.3 Ų75.377%0.7744%0.438SS*.G310 helixtrans-87.5-15.6177.6-65.5-176.9179.8-173.90.9113.5L37 P41L37-R39 PolarHBondContact O-N 3.27Å; R39-P41 WeakPolarHBondContact O-CD 3.42Å
40I68.9Low74Confident38 Ų3878.8 Ų78.820%0.19545%0.453CS..SBendtrans-91115.2-177.4-55.8177.8000107.8F28 L37 I67F28-I40 HydrophobicContact CE1-CD1 4.22Å; L37-I40 HydrophobicContact CD2-CD1 3.85Å; L37-I40 PolarHBondContact O-N 3.13Å; I40-I67 HydrophobicContact CD1-CG2 4Å; I40-I67 HydrophobicContact CG1-CG2 3.83Å; I40-I67 HydrophobicContact CG2-CG2 4.27Å
41P73Confident74.9Confident79 Ų7984.8 Ų84.851%0.51347%0.472SS..  trans-62.3149.7173.2-18.431.1000111R39 V43 V44R39-P41 WeakPolarHBondContact O-CD 3.42Å; P41-V43 PolarHBondContact O-N 3.47Å; P41-V43 VanDerWaalsContact O-N 3.13Å; P41-V44 HydrophobicContact CB-CG2 4.24Å; P41-V44 HydrophobicContact CG-CG2 4.17Å
42N81.7Confident76.1Confident174 Ų17483.9 Ų83.993%0.9347%0.467SS*.SBendtrans-58.9-26.7175.1-64.3-21.1000112.9
43V87.3Confident77.6Confident97 Ų9781.2 Ų81.259%0.58845%0.447SS*.SBendtrans-131.2117.7177.4-178.90000107.7P41 R45P41-V43 PolarHBondContact O-N 3.47Å; P41-V43 VanDerWaalsContact O-N 3.13Å; V43-R45 HydrophobicContact CG1-CG 4.07Å
44V88.5Confident79.4Confident43 Ų4383.3 Ų83.326%0.26146%0.459SS..  trans-112.1130.8172.9-175.80000108.4V26 P41 T65 I67V26-V44 HydrophobicContact CG1-CB 4.47Å; V26-V44 HydrophobicContact CG1-CG1 3.97Å; V26-V44 HydrophobicContact CG2-CG1 4.4Å; P41-V44 HydrophobicContact CB-CG2 4.24Å; P41-V44 HydrophobicContact CG-CG2 4.17Å; V44-T65 HydrophobicContact CG1-CG2 3.75Å; V44-I67 HydrophobicContact CB-CD1 3.93Å; V44-I67 HydrophobicContact CG1-CD1 3.81Å; V44-I67 HydrophobicContact CG1-CG1 4.11Å; V44-I67 HydrophobicContact CG2-CD1 3.77Å; V44-I67 HydrophobicContact CG2-CG1 4.44Å
45R91.7Very high81.1Confident205 Ų20590.3 Ų90.377%0.77449%0.485SS*.  trans-127.4135.9178.4-64.6-178.3179.6-166.9-2.6109.1V43V43-R45 HydrophobicContact CG1-CG 4.07Å
46A92.8Very high82.6Confident27 Ų2789.8 Ų89.822%0.22349%0.49CS..PPolyproline II helixtrans-81158.5167.800000111.1G24 V26 T65G24-A46 VanDerWaalsContact C-CB 3.43Å; G24-A46 WeakPolarHBondContact O-CB 3.4Å; V26-A46 HydrophobicContact CG2-CB 3.86Å; A46-T65 WeakPolarHBondContact CA-OG1 3.47Å
47T93.9Very high84.4Confident62 Ų6290.4 Ų90.438%0.3849%0.494SS..PPolyproline II helixtrans-68.8139.3177.8550000110.7G24 A62 P63G24-T47 PolarHBondContact N-O 3.42Å; T47-A62 WeakPolarHBondContact O-CB 3.48Å; T47-A62 WeakPolarHBondContact OG1-CB 3Å; T47-P63 VanDerWaalsContact OG1-CD 3.31Å; T47-P63 WeakPolarHBondContact OG1-CD 3.16Å; T47-P63 PolarHBondContact OG1-O 3.45Å; T47-P63 VanDerWaalsContact OG1-O 3.08Å
48P93.4Very high86.1Confident112 Ų11293.5 Ų93.573%0.72751%0.505SS*.PPolyproline II helixtrans-72.9150.2173.730.8-34000110.6A62P48-A62 VanDerWaalsContact C-CB 3.5Å; P48-A62 VanDerWaalsContact O-CB 3.28Å; P48-A62 WeakPolarHBondContact O-CB 3.27Å
49G93.5Very high87.8Confident20 Ų2089.7 Ų89.721%0.20647%0.474CS..PPolyproline II helixtrans-71.4158.6171.300000111.4S22S22-G49 WeakPolarHBondContact O-CA 3.04Å
50E94.9Very high89.3Confident128 Ų12882.3 Ų82.360%0.59846%0.457SS*.PPolyproline II helixtrans-83.6153.7-179.2-61.9-174.2167.600112.2G21 G59 A60G21-E50 PolarHBondContact N-O 2.9Å; E50-G59 WeakPolarHBondContact O-CA 3.23Å; E50-A60 HydrophobicContact CB-CB 4.46Å; E50-A60 HydrophobicContact CG-CB 4.24Å; E50-A60 PolarHBondContact N-O 2.96Å
51H92.1Very high90.6Very high179 Ų17986.1 Ų86.183%0.82948%0.478SS*.PPolyproline II helixtrans-73.5138.4176-63.1-71.5000111.5
52G92Very high91.6Very high11 Ų1182.9 Ų82.911%0.11346%0.457CS..PPolyproline II helixtrans-62.9143166.500000111.2D19 C57D19-G52 WeakPolarHBondContact O-CA 3.35Å; G52-C57 CarbonylContact C-O 3.56Å; G52-C57 WeakPolarHBondContact CA-O 3.22Å
53G91.7Very high92.2Very high20 Ų2079 Ų7921%0.20644%0.442CS..  trans-108.2-173.6-177.600000113.9G18 C57G18-G53 PolarHBondContact N-O 2.94Å; G53-C57 PolarHBondContact N-O 3.33Å
54S90.7Very high92.6Very high65 Ų6577.9 Ų77.946%0.45543%0.43SS..SBendtrans-75169.5169720000111.7A16 S56 C57A16-S54 CarbonylContact O-C 3.54Å; A16-S54 WeakPolarHBondContact O-CA 3.36Å; S54-S56 VanDerWaalsContact C-N 3.33Å; S54-S56 PolarHBondContact O-N 3.45Å; S54-C57 VanDerWaalsContact O-CB 3.27Å; S54-C57 WeakPolarHBondContact O-CB 3.29Å; S54-C57 PolarHBondContact O-N 3.44Å
55K89.9Confident92.8Very high167 Ų16777.7 Ų77.773%0.72643%0.429SS*.THydrogen-bonded Turntrans60.837.2-178.8-53178.7178.9178.50113.4L5 A16 C57L5-K55 HydrophobicContact CD1-CB 4.49Å; L5-K55 HydrophobicContact CD1-CG 4.37Å; A16-K55 PolarHBondContact O-N 2.96Å; K55-C57 PolarHBondContact O-N 2.84Å
56S86.6Confident92.7Very high44 Ų4474.5 Ų74.531%0.30842%0.418SS..THydrogen-bonded Turntrans60.629.3-180-54.70000113.2A16 S54 F58 Q87A16-S56 PolarHBondContact O-N 2.94Å; S54-S56 VanDerWaalsContact C-N 3.33Å; S54-S56 PolarHBondContact O-N 3.45Å; S56-F58 PolarHBondContact O-N 3.44Å; S56-Q87 PolarHBondContact OG-NE2 3.28Å; S56-Q87 PolarHBondContact OG-OE1 3.18Å
57C92.1Very high92.3Very high73 Ų7374 Ų7449%0.49341%0.412SS..  trans-81.3111177.3-1710000109.6G52 G53 S54 K55G52-C57 CarbonylContact C-O 3.56Å; G52-C57 WeakPolarHBondContact CA-O 3.22Å; G53-C57 PolarHBondContact N-O 3.33Å; S54-C57 VanDerWaalsContact O-CB 3.27Å; S54-C57 WeakPolarHBondContact O-CB 3.29Å; S54-C57 PolarHBondContact O-N 3.44Å; K55-C57 PolarHBondContact O-N 2.84Å
58F93.6Very high91.6Very high124 Ų12475.6 Ų75.654%0.54442%0.415SS..PPolyproline II helixtrans-80141.1174.7-60.8-69000110.8D19 S56D19-F58 HydrophobicContact CB-CD1 3.76Å; D19-F58 HydrophobicContact CB-CE1 4.1Å; D19-F58 WeakPolarHBondContact O-CA 3.4Å; S56-F58 PolarHBondContact O-N 3.44Å
59G93.2Very high90.6Very high12 Ų1272.2 Ų72.212%0.12439%0.393CS..PPolyproline II helixtrans-71.5144.2175.500000112D19 G21 E50D19-G59 PolarHBondContact O-N 3.26Å; G21-G59 WeakPolarHBondContact CA-O 3.45Å; E50-G59 WeakPolarHBondContact O-CA 3.23Å
60A94.2Very high89.3Confident49 Ų4975.2 Ų75.241%0.40540%0.402SS..PPolyproline II helixtrans-70.6139.7177.100000112.2E50E50-A60 HydrophobicContact CB-CB 4.46Å; E50-A60 HydrophobicContact CG-CB 4.24Å; E50-A60 PolarHBondContact N-O 2.96Å
61N95.5Very high88.1Confident117 Ų11772.3 Ų72.363%0.62641%0.407SS*.PPolyproline II helixtrans-71.2137169.3-67.4-27.9000110G21 S22G21-N61 WeakPolarHBondContact CA-OD1 3.22Å; S22-N61 PolarHBondContact N-OD1 3.46Å; S22-N61 WeakPolarHBondContact O-CA 3.37Å
62A94.5Very high87.4Confident11 Ų1167.5 Ų67.59%0.09140%0.397CS..PPolyproline II helixtrans-78144-18000000112.1S22 T47 P48S22-A62 PolarHBondContact O-N 3.48Å; T47-A62 WeakPolarHBondContact O-CB 3.48Å; T47-A62 WeakPolarHBondContact OG1-CB 3Å; P48-A62 VanDerWaalsContact C-CB 3.5Å; P48-A62 VanDerWaalsContact O-CB 3.28Å; P48-A62 WeakPolarHBondContact O-CB 3.27Å
63P94.7Very high87.1Confident94 Ų9471.9 Ų71.961%0.6142%0.422SS*.PPolyproline II helixtrans-63.5146.1171.227.7-34.9000111.5T47T47-P63 VanDerWaalsContact OG1-CD 3.31Å; T47-P63 WeakPolarHBondContact OG1-CD 3.16Å; T47-P63 PolarHBondContact OG1-O 3.45Å; T47-P63 VanDerWaalsContact OG1-O 3.08Å
64H94.8Very high86.9Confident73 Ų7375.6 Ų75.634%0.33843%0.433SS..PPolyproline II helixtrans-73.9151.2174.9-53.9-27.4000111.4H25 I27 Y66H25-H64 AromaticContact CD2-CE1 3.27Å; H25-H64 PolarHBondContact CD2-CE1 3.01Å; H25-H64 AromaticContact CD2-ND1 3.68Å; H25-H64 AromaticContact CD2-NE2 3.66Å; H25-H64 PolarHBondContact N-ND1 3.49Å; H25-H64 VanDerWaalsContact N-ND1 3.16Å; H25-H64 AromaticContact NE2-CE1 3.85Å; H25-H64 WeakPolarHBondContact O-CA 3.07Å; H25-H64 WeakPolarHBondContact O-CB 3.34Å; I27-H64 HydrophobicContact CD1-CB 4.22Å; H64-Y66 HydrophobicContact CB-CE2 4.21Å
65T93.1Very high86.9Confident38 Ų3875.6 Ų75.623%0.23343%0.429CS..EExtended strand (participates in β ladder)trans-100.6121.7174.5-62.10000109.2H25 V26 I27 V44 A46H25-T65 PolarHBondContact O-N 3.47Å; V26-T65 WeakPolarHBondContact CA-O 3.45Å; I27-T65 PolarHBondContact N-O 3.32Å; V44-T65 HydrophobicContact CG1-CG2 3.75Å; A46-T65 WeakPolarHBondContact CA-OG1 3.47Å
66Y89.5Confident86.9Confident139 Ų13967.8 Ų67.855%0.54540%0.396SS..EExtended strand (participates in β ladder)trans-99.7133.2179.8-59.5-81.1000110.6I27 I29 H64I27-Y66 HydrophobicContact CB-CD1 4.12Å; I27-Y66 HydrophobicContact CB-CE1 4.36Å; I27-Y66 HydrophobicContact CD1-CE1 4.1Å; I27-Y66 HydrophobicContact CG2-CD1 4.49Å; I27-Y66 CarbonylContact O-C 3.54Å; I27-Y66 WeakPolarHBondContact O-CA 3.47Å; I29-Y66 HydrophobicContact CG2-CD1 3.71Å; I29-Y66 HydrophobicContact CG2-CE1 4.4Å; H64-Y66 HydrophobicContact CB-CE2 4.21Å
67I85Confident87.2Confident17 Ų1766.5 Ų66.59%0.08739%0.388CS..EExtended strand (participates in β ladder)trans-116.2126.4171.8-52.2169.1000107.9V26 I27 F28 I29 I40 V44 S69V26-I67 HydrophobicContact CG1-CD1 3.56Å; V26-I67 HydrophobicContact CG1-CG1 4.18Å; I27-I67 PolarHBondContact O-N 3.49Å; F28-I67 CarbonylContact C-O 3.46Å; F28-I67 WeakPolarHBondContact CA-O 3.39Å; F28-I67 HydrophobicContact CD1-CB 3.62Å; F28-I67 HydrophobicContact CD1-CD1 4.33Å; F28-I67 HydrophobicContact CD1-CG2 3.66Å; F28-I67 HydrophobicContact CE1-CB 3.72Å; F28-I67 HydrophobicContact CE1-CD1 3.79Å; F28-I67 HydrophobicContact CE1-CG1 4.4Å; F28-I67 HydrophobicContact CE1-CG2 3.41Å; F28-I67 VanDerWaalsContact CE1-CG2 3.41Å; F28-I67 HydrophobicContact CE2-CD1 4.13Å; F28-I67 HydrophobicContact CG-CB 4.33Å; F28-I67 HydrophobicContact CZ-CB 4.46Å; F28-I67 HydrophobicContact CZ-CD1 3.68Å; F28-I67 HydrophobicContact CZ-CG2 4.34Å; I29-I67 PolarHBondContact N-O 3.16Å; I40-I67 HydrophobicContact CD1-CG2 4Å; I40-I67 HydrophobicContact CG1-CG2 3.83Å; I40-I67 HydrophobicContact CG2-CG2 4.27Å; V44-I67 HydrophobicContact CB-CD1 3.93Å; V44-I67 HydrophobicContact CG1-CD1 3.81Å; V44-I67 HydrophobicContact CG1-CG1 4.11Å; V44-I67 HydrophobicContact CG2-CD1 3.77Å; V44-I67 HydrophobicContact CG2-CG1 4.44Å; I67-S69 PolarHBondContact O-N 2.59Å
68E79.5Confident87.4Confident95 Ų9570.5 Ų70.544%0.44439%0.393SS..EExtended strand (participates in β ladder)trans-71.8128.2173.3-70.5-176.2-152.900111.1I29 S31 A34I29-E68 HydrophobicContact CD1-CG 4.24Å; I29-E68 HydrophobicContact CG1-CG 4.26Å; S31-E68 WeakPolarHBondContact CB-OE2 3.45Å; S31-E68 PolarHBondContact OG-OE2 2.81Å; A34-E68 HydrophobicContact CB-CB 4.24Å
69S72.5Confident87.4Confident40 Ų4065.6 Ų65.628%0.2838%0.377SS..EExtended strand (participates in β ladder)trans-138.3159.6174.1172.90000110.5I29 A30 S31 A34 I67I29-S69 PolarHBondContact O-N 2.96Å; A30-S69 CarbonylContact C-O 3.6Å; A30-S69 VanDerWaalsContact CA-O 3.23Å; A30-S69 WeakPolarHBondContact CA-O 3.24Å; S31-S69 PolarHBondContact N-O 3.49Å; A34-S69 VanDerWaalsContact CB-CA 3.47Å; I67-S69 PolarHBondContact O-N 2.59Å
70E66.1Low87.5Confident84 Ų8465.6 Ų65.639%0.39338%0.377SS..SBendtrans-70.9146.2168.4-62.2-172.3165.900110.5A34A34-E70 HydrophobicContact CB-CG 4.27Å; A34-E70 WeakPolarHBondContact O-CG 3.16Å
71G68.9Low87.4Confident67 Ų6766.2 Ų66.269%0.69138%0.382SS*.SBendtrans105-118.1165.900000115A30A30-G71 WeakPolarHBondContact CB-O 3.36Å
72A77.2Confident87.3Confident77 Ų7761.5 Ų61.564%0.63636%0.362SS*.SBendtrans-112.2160.2-173.400000111.5F74A72-F74 PolarHBondContact O-N 3.29Å
73V85.4Confident87.3Confident103 Ų10361.4 Ų61.462%0.62436%0.362SS*.  trans-65.9128.3172-179.40000109.2I27 F28I27-V73 HydrophobicContact CG2-CG1 3.74Å; F28-V73 CarbonylContact O-C 3.52Å; F28-V73 VanDerWaalsContact O-CA 3.3Å; F28-V73 WeakPolarHBondContact O-CA 3.28Å
74F87Confident87.4Confident99 Ų9959.5 Ų59.543%0.43434%0.344SS..EExtended strand (participates in β ladder)trans-136.5122-178.2173.1-111.4000109.8F28 A72 A76 Y111F28-F74 HydrophobicContact CB-CB 4.32Å; F28-F74 AromaticContact CD2-CD1 3.95Å; F28-F74 HydrophobicContact CD2-CD1 3.95Å; F28-F74 PolarHBondContact N-O 3.23Å; F28-F74 PolarHBondContact O-N 3.2Å; A72-F74 PolarHBondContact O-N 3.29Å; F74-A76 HydrophobicContact CD1-CB 4.28Å; F74-A76 HydrophobicContact CE1-CB 4.05Å; F74-A76 PolarHBondContact O-N 3.45Å; F74-Y111 AromaticContact CE1-CE1 3.69Å; F74-Y111 HydrophobicContact CE1-CE1 3.69Å; F74-Y111 HydrophobicContact CE1-CE2 4.45Å; F74-Y111 AromaticContact CE1-CZ 3.66Å; F74-Y111 AromaticContact CZ-CE1 3.74Å; F74-Y111 HydrophobicContact CZ-CE1 3.74Å; F74-Y111 AromaticContact CZ-CZ 3.8Å; F74-Y111 WeakPolarHBondContact CZ-OH 2.95Å
75V91Very high87.3Confident64 Ų6456 Ų5639%0.38833%0.328SS..EExtended strand (participates in β ladder)trans-78.8107.3174-177.30000107.6H25 I27 R78H25-V75 HydrophobicContact CB-CG1 4.44Å; I27-V75 HydrophobicContact CG1-CG2 4.47Å; V75-R78 HydrophobicContact CG1-CG 3.97Å
76A90.6Very high87.5Confident4 Ų454.2 Ų54.23%0.03332%0.317CS..EExtended strand (participates in β ladder)trans-80.1-37.1-176.500000113.4V26 F28 F74 Y111V26-A76 HydrophobicContact CG1-CB 4.39Å; V26-A76 PolarHBondContact O-N 3.49Å; F28-A76 HydrophobicContact CD2-CB 3.53Å; F28-A76 HydrophobicContact CE2-CB 3.47Å; F28-A76 VanDerWaalsContact CE2-CB 3.47Å; F74-A76 HydrophobicContact CD1-CB 4.28Å; F74-A76 HydrophobicContact CE1-CB 4.05Å; F74-A76 PolarHBondContact O-N 3.45Å; A76-Y111 HydrophobicContact CB-CE2 3.78Å; A76-Y111 VanDerWaalsContact O-CE2 3.29Å; A76-Y111 WeakPolarHBondContact O-CE2 3.26Å; A76-Y111 PolarHBondContact O-OH 2.68Å
77A93.9Very high87.6Confident16 Ų1650.9 Ų50.913%0.13231%0.307CS..EExtended strand (participates in β ladder)trans-150.9130.4176.100000109.5H25 V26 E107H25-A77 CarbonylContact C-O 3.59Å; H25-A77 WeakPolarHBondContact CA-O 3.48Å; V26-A77 HydrophobicContact CB-CB 4.33Å; V26-A77 PolarHBondContact N-O 3.25Å; V26-A77 PolarHBondContact O-N 3.18Å; A77-E107 HydrophobicContact CB-CB 4.26Å
78R94.4Very high87.9Confident158 Ų15855.6 Ų55.660%0.59633%0.327SS*.PPolyproline II helixtrans-81.9129.4174.9-64176.9177.1179.9-0.9110.4H25 V75 G106 E107H25-R78 VanDerWaalsContact ND1-CA 3.28Å; H25-R78 WeakPolarHBondContact ND1-CA 3.22Å; V75-R78 HydrophobicContact CG1-CG 3.97Å; R78-G106 CarbonylContact O-C 3.55Å; R78-G106 VanDerWaalsContact O-CA 3.25Å; R78-G106 WeakPolarHBondContact O-CA 3.35Å; R78-E107 HydrophobicContact CB-CG 4.17Å; R78-E107 WeakPolarHBondContact CD-OE1 3.39Å; R78-E107 WeakPolarHBondContact CG-OE2 3.43Å; R78-E107 PolarHBondContact N-OE2 2.84Å; R78-E107 PolarHBondContact O-N 2.96Å
79G94.9Very high88.7Confident20 Ų2053.6 Ų53.621%0.20632%0.315CS..PPolyproline II helixtrans-55.9152.6163.100000113.1G24 H25G24-G79 WeakPolarHBondContact O-CA 3.43Å; G24-G79 PolarHBondContact O-N 3.41Å; H25-G79 PolarHBondContact ND1-N 3.36Å
80G94.1Very high89.6Confident13 Ų1353.7 Ų53.713%0.13432%0.319CS..PPolyproline II helixtrans-67.9145.2179.700000112.8S22 G23 G104S22-G80 WeakPolarHBondContact CA-O 3.5Å; G23-G80 PolarHBondContact N-O 2.88Å; G80-G104 CarbonylContact C-O 3.38Å; G80-G104 WeakPolarHBondContact CA-O 3.34Å
81A93.8Very high90.8Very high61 Ų6153.1 Ų53.150%0.50432%0.321SS..PPolyproline II helixtrans-70.3141.6176.100000111.2G103 G104A81-G103 CarbonylContact O-C 3.59Å; A81-G103 WeakPolarHBondContact O-CA 3.18Å; A81-G104 PolarHBondContact N-O 3.05Å; A81-G104 PolarHBondContact O-N 3.47Å
82G93.2Very high91.9Very high19 Ų1955.4 Ų55.420%0.19633%0.326CS..PPolyproline II helixtrans-63.1139169.400000111.6G20 S22G20-G82 VanDerWaalsContact O-CA 3.26Å; G20-G82 WeakPolarHBondContact O-CA 3.14Å; S22-G82 PolarHBondContact OG-N 3.2Å
83G94.2Very high92.6Very high9 Ų957 Ų579%0.09333%0.333CS..PPolyproline II helixtrans-86.1152.3177.300000112.2D19 G20 E101D19-G83 CarbonylContact C-O 3.57Å; D19-G83 WeakPolarHBondContact CA-O 3.29Å; G20-G83 PolarHBondContact N-O 3.23Å; G83-E101 CarbonylContact C-O 3.56Å; G83-E101 VanDerWaalsContact CA-O 3.32Å; G83-E101 WeakPolarHBondContact CA-O 3.35Å
84H95.5Very high92.9Very high53 Ų5358 Ų5825%0.24533%0.326CS..PPolyproline II helixtrans-84.2134.6-178.6-65.7-63.6000113.3D19 F88 Y89 A100 E101D19-H84 WeakPolarHBondContact OD1-CA 3.25Å; D19-H84 IonicContact OD1-ND1 2.7Å; D19-H84 IonicContact OD2-CE1 3.9Å; D19-H84 IonicContact OD2-ND1 3.44Å; D19-H84 PolarHBondContact OD2-ND1 3.38Å; H84-F88 HydrophobicContact CB-CB 3.88Å; H84-F88 HydrophobicContact CB-CD1 3.77Å; H84-F88 HydrophobicContact CB-CE1 4.45Å; H84-F88 HydrophobicContact CB-CG 3.81Å; H84-F88 AromaticContact CD2-CE1 3.95Å; H84-F88 AromaticContact CE1-CD2 3.94Å; H84-F88 AromaticContact CE1-CE2 3.67Å; H84-F88 AromaticContact CE1-CZ 3.89Å; H84-F88 AromaticContact CG-CD1 3.7Å; H84-F88 AromaticContact CG-CE1 3.95Å; H84-F88 AromaticContact CG-CG 3.74Å; H84-F88 AromaticContact ND1-CD2 3.47Å; H84-F88 WeakPolarHBondContact ND1-CD2 3.46Å; H84-F88 AromaticContact ND1-CE2 3.69Å; H84-F88 AromaticContact ND1-CG 3.66Å; H84-F88 AromaticContact NE2-CZ 3.96Å; H84-Y89 HydrophobicContact CB-CE2 3.94Å; H84-A100 CarbonylContact O-C 3.24Å; H84-A100 WeakPolarHBondContact O-CA 3.28Å; H84-A100 WeakPolarHBondContact O-CB 3.2Å; H84-E101 HydrophobicContact CB-CB 4.26Å; H84-E101 IonicContact CD2-OE2 3.63Å; H84-E101 PolarHBondContact CD2-OE2 2.98Å; H84-E101 PolarHBondContact N-O 3.25Å; H84-E101 PolarHBondContact O-N 2.82Å
85G94.1Very high93Very high0 Ų059.4 Ų59.40%033%0.334CS..PPolyproline II helixtrans-7516717100000111.8M1 G17 G18 D19 Q87 F88M1-G85 WeakPolarHBondContact O-CA 3.47Å; G17-G85 WeakPolarHBondContact O-CA 3.36Å; G18-G85 WeakPolarHBondContact O-CA 3.31Å; D19-G85 PolarHBondContact OD1-N 2.7Å; G85-Q87 PolarHBondContact O-N 2.96Å; G85-F88 WeakPolarHBondContact O-CB 2.91Å; G85-F88 PolarHBondContact O-N 3.41Å; G85-F88 VanDerWaalsContact O-N 3.13Å
86N95.7Very high93Very high0 Ų060.2 Ų60.20%034%0.336CS..G310 helixtrans-63.5-25.1-179.470.8-33.3000113.1M1 V2 A3 P15 G17 F88 Y89 P97 V99M1-N86 PolarHBondContact O-N 2.88Å; V2-N86 HydrophobicContact CG1-CB 4.35Å; V2-N86 HydrophobicContact CG2-CB 4.34Å; A3-N86 PolarHBondContact N-OD1 3.48Å; A3-N86 PolarHBondContact O-ND2 3.27Å; A3-N86 PolarHBondContact O-OD1 3.23Å; A3-N86 VanDerWaalsContact O-OD1 3.13Å; P15-N86 WeakPolarHBondContact CB-ND2 3.39Å; G17-N86 WeakPolarHBondContact CA-OD1 3.29Å; G17-N86 PolarHBondContact N-OD1 2.93Å; N86-F88 PolarHBondContact O-N 3.26Å; N86-Y89 PolarHBondContact O-N 3.27Å; N86-P97 HydrophobicContact CB-CG 4.25Å; N86-P97 WeakPolarHBondContact CB-O 3.42Å; N86-P97 PolarHBondContact ND2-O 2.92Å; N86-P97 VanDerWaalsContact ND2-O 3.09Å; N86-P97 WeakPolarHBondContact O-CG 3.39Å; N86-V99 WeakPolarHBondContact CA-O 3.44Å; N86-V99 WeakPolarHBondContact CB-O 3.32Å
87Q92.2Very high93.1Very high70 Ų7060 Ų6033%0.32733%0.334SS..G310 helixtrans-60.5-33.3175.8-174.2175.9-1.800113G17 S56 G85 Y89 A90G17-Q87 WeakPolarHBondContact O-CB 3.18Å; G17-Q87 PolarHBondContact O-N 3.33Å; S56-Q87 PolarHBondContact OG-NE2 3.28Å; S56-Q87 PolarHBondContact OG-OE1 3.18Å; G85-Q87 PolarHBondContact O-N 2.96Å; Q87-Y89 VanDerWaalsContact C-N 3.26Å; Q87-Y89 PolarHBondContact O-N 3.44Å; Q87-A90 VanDerWaalsContact O-CB 3.29Å; Q87-A90 WeakPolarHBondContact O-CB 3.33Å; Q87-A90 PolarHBondContact O-N 2.88Å
88F92.6Very high93Very high115 Ų11566.4 Ų66.450%0.50436%0.363SS..G310 helixtrans-61-34.1178.3-179.1-95.1000112.8H84 G85 N86 A90H84-F88 HydrophobicContact CB-CB 3.88Å; H84-F88 HydrophobicContact CB-CD1 3.77Å; H84-F88 HydrophobicContact CB-CE1 4.45Å; H84-F88 HydrophobicContact CB-CG 3.81Å; H84-F88 AromaticContact CD2-CE1 3.95Å; H84-F88 AromaticContact CE1-CD2 3.94Å; H84-F88 AromaticContact CE1-CE2 3.67Å; H84-F88 AromaticContact CE1-CZ 3.89Å; H84-F88 AromaticContact CG-CD1 3.7Å; H84-F88 AromaticContact CG-CE1 3.95Å; H84-F88 AromaticContact CG-CG 3.74Å; H84-F88 AromaticContact ND1-CD2 3.47Å; H84-F88 WeakPolarHBondContact ND1-CD2 3.46Å; H84-F88 AromaticContact ND1-CE2 3.69Å; H84-F88 AromaticContact ND1-CG 3.66Å; H84-F88 AromaticContact NE2-CZ 3.96Å; G85-F88 WeakPolarHBondContact O-CB 2.91Å; G85-F88 PolarHBondContact O-N 3.41Å; G85-F88 VanDerWaalsContact O-N 3.13Å; N86-F88 PolarHBondContact O-N 3.26Å; F88-A90 VanDerWaalsContact C-N 3.34Å
89Y94.4Very high93Very high53 Ų5361.5 Ų61.521%0.20835%0.351CS..G310 helixtrans-87.4-1.2-179.1-61.3-78.5000114H84 N86 Q87 T91 V99 E101H84-Y89 HydrophobicContact CB-CE2 3.94Å; N86-Y89 PolarHBondContact O-N 3.27Å; Q87-Y89 VanDerWaalsContact C-N 3.26Å; Q87-Y89 PolarHBondContact O-N 3.44Å; Y89-T91 PolarHBondContact O-N 2.83Å; Y89-V99 HydrophobicContact CD1-CG1 4.19Å; Y89-V99 HydrophobicContact CD2-CG1 3.6Å; Y89-V99 HydrophobicContact CE2-CG1 4.09Å; Y89-V99 HydrophobicContact CG-CG1 3.64Å; Y89-E101 WeakPolarHBondContact OH-CB 3.38Å; Y89-E101 PolarHBondContact OH-OE2 3.37Å
90A91.7Very high92.9Very high42 Ų4262.3 Ų62.335%0.34736%0.355SS..  trans-69.9120.2-176.800000110P15 Q87 F88 W94 P97P15-A90 HydrophobicContact CG-CB 3.65Å; Q87-A90 VanDerWaalsContact O-CB 3.29Å; Q87-A90 WeakPolarHBondContact O-CB 3.33Å; Q87-A90 PolarHBondContact O-N 2.88Å; F88-A90 VanDerWaalsContact C-N 3.34Å; A90-W94 WeakPolarHBondContact CA-O 3.42Å; A90-P97 HydrophobicContact CB-CG 4.19Å
91T91.5Very high92.9Very high73 Ų7366.5 Ų66.545%0.44837%0.372SS..  trans-125.3170.8177.6600000110.5Y89 S93 W94 Q95Y89-T91 PolarHBondContact O-N 2.83Å; T91-S93 PolarHBondContact O-N 3.47Å; T91-S93 PolarHBondContact OG1-OG 2.95Å; T91-W94 PolarHBondContact N-O 3.32Å; T91-W94 CarbonylContact O-C 3.42Å; T91-W94 VanDerWaalsContact O-C 3.24Å; T91-W94 PolarHBondContact O-N 2.85Å; T91-W94 WeakPolarHBondContact OG1-CB 3.46Å; T91-W94 PolarHBondContact OG1-N 3.49Å; T91-Q95 PolarHBondContact O-N 2.83Å
92S92Very high92.8Very high114 Ų11467.7 Ų67.780%0.79738%0.381SS*.SBendtrans-59.4-33.517855.20000112.8
93S92.6Very high92.7Very high112 Ų11269 Ų6978%0.78340%0.395SS*.SBendtrans-88-30.1175.852.90000113.2T91T91-S93 PolarHBondContact O-N 3.47Å; T91-S93 PolarHBondContact OG1-OG 2.95Å
94W91Very high92.5Very high123 Ų12370.6 Ų70.647%0.46641%0.411SS..  trans-118.676-180-164.828000111.3A90 T91 P97 V99A90-W94 WeakPolarHBondContact CA-O 3.42Å; T91-W94 PolarHBondContact N-O 3.32Å; T91-W94 CarbonylContact O-C 3.42Å; T91-W94 VanDerWaalsContact O-C 3.24Å; T91-W94 PolarHBondContact O-N 2.85Å; T91-W94 WeakPolarHBondContact OG1-CB 3.46Å; T91-W94 PolarHBondContact OG1-N 3.49Å; W94-P97 HydrophobicContact CD2-CB 3.97Å; W94-P97 HydrophobicContact CE3-CB 4.14Å; W94-P97 HydrophobicContact CH2-CB 4.22Å; W94-P97 HydrophobicContact CZ2-CB 4.01Å; W94-P97 HydrophobicContact CZ3-CB 4.26Å; W94-P97 WeakPolarHBondContact O-CD 3.35Å; W94-V99 HydrophobicContact CH2-CB 4.04Å; W94-V99 HydrophobicContact CH2-CG1 3.37Å; W94-V99 HydrophobicContact CZ2-CG1 4.22Å; W94-V99 HydrophobicContact CZ3-CG1 3.84Å
95Q89.4Confident92.4Very high129 Ų12973.6 Ų73.660%0.60344%0.438SS*.SBendtrans-77.6-19.9-173-64.2-178.3-21.700114P15 T91 P97P15-Q95 WeakPolarHBondContact CD-O 3.39Å; T91-Q95 PolarHBondContact O-N 2.83Å; Q95-P97 WeakPolarHBondContact O-CD 3.31Å
96N90.6Very high92.3Very high80 Ų8075.4 Ų75.443%0.42846%0.457SS..SBendtrans-125.563-179.6-65.1-58.2000111.6F4 M98F4-N96 HydrophobicContact CE1-CB 3.79Å; F4-N96 HydrophobicContact CZ-CB 4.28Å; N96-M98 PolarHBondContact O-N 2.87Å
97P92.6Very high92.2Very high0 Ų079.8 Ų79.80%048%0.477CS..  trans-60.2130.4175.527.1-35.1000110.4F4 P15 N86 A90 W94 Q95 V99F4-P97 WeakPolarHBondContact CZ-O 3.39Å; P15-P97 HydrophobicContact CB-CG 4.31Å; P15-P97 HydrophobicContact CG-CG 4.36Å; N86-P97 HydrophobicContact CB-CG 4.25Å; N86-P97 WeakPolarHBondContact CB-O 3.42Å; N86-P97 PolarHBondContact ND2-O 2.92Å; N86-P97 VanDerWaalsContact ND2-O 3.09Å; N86-P97 WeakPolarHBondContact O-CG 3.39Å; A90-P97 HydrophobicContact CB-CG 4.19Å; W94-P97 HydrophobicContact CD2-CB 3.97Å; W94-P97 HydrophobicContact CE3-CB 4.14Å; W94-P97 HydrophobicContact CH2-CB 4.22Å; W94-P97 HydrophobicContact CZ2-CB 4.01Å; W94-P97 HydrophobicContact CZ3-CB 4.26Å; W94-P97 WeakPolarHBondContact O-CD 3.35Å; Q95-P97 WeakPolarHBondContact O-CD 3.31Å; P97-V99 HydrophobicContact CB-CG1 4.27Å
98M91.8Very high92.2Very high150 Ų15084.3 Ų84.374%0.73950%0.504SS*.  trans-10318.7171.4-66.4-172.167.500111.7F4 N96F4-M98 HydrophobicContact CE2-CG 4.32Å; F4-M98 HydrophobicContact CZ-CG 4.12Å; N96-M98 PolarHBondContact O-N 2.87Å
99V94.1Very high92.2Very high55 Ų5581.9 Ų81.933%0.33350%0.498SS..  trans-103.3146.6176.869.60000109.7N86 Y89 W94 P97N86-V99 WeakPolarHBondContact CA-O 3.44Å; N86-V99 WeakPolarHBondContact CB-O 3.32Å; Y89-V99 HydrophobicContact CD1-CG1 4.19Å; Y89-V99 HydrophobicContact CD2-CG1 3.6Å; Y89-V99 HydrophobicContact CE2-CG1 4.09Å; Y89-V99 HydrophobicContact CG-CG1 3.64Å; W94-V99 HydrophobicContact CH2-CB 4.04Å; W94-V99 HydrophobicContact CH2-CG1 3.37Å; W94-V99 HydrophobicContact CZ2-CG1 4.22Å; W94-V99 HydrophobicContact CZ3-CG1 3.84Å; P97-V99 HydrophobicContact CB-CG1 4.27Å
100A93.2Very high92Very high37 Ų3788.4 Ų88.431%0.30653%0.53SS..  trans-142.9149.6164.900000107.9V2 H84V2-A100 HydrophobicContact CG2-CB 3.88Å; H84-A100 CarbonylContact O-C 3.24Å; H84-A100 WeakPolarHBondContact O-CA 3.28Å; H84-A100 WeakPolarHBondContact O-CB 3.2Å
101E94.1Very high91.7Very high102 Ų10291.1 Ų91.148%0.47753%0.532SS..PPolyproline II helixtrans-97135.1177.1177.7172.1-177.300109.8G83 H84 Y89G83-E101 CarbonylContact C-O 3.56Å; G83-E101 VanDerWaalsContact CA-O 3.32Å; G83-E101 WeakPolarHBondContact CA-O 3.35Å; H84-E101 HydrophobicContact CB-CB 4.26Å; H84-E101 IonicContact CD2-OE2 3.63Å; H84-E101 PolarHBondContact CD2-OE2 2.98Å; H84-E101 PolarHBondContact N-O 3.25Å; H84-E101 PolarHBondContact O-N 2.82Å; Y89-E101 WeakPolarHBondContact OH-CB 3.38Å; Y89-E101 PolarHBondContact OH-OE2 3.37Å
102A91.5Very high91Very high86 Ų8692.8 Ų92.871%0.71155%0.553SS**PPolyproline II helixtrans-73.4145.3172.700000109.2
103G90.9Very high89.9Confident46 Ų4691 Ų9147%0.47454%0.538SS..PPolyproline II helixtrans-60.9149.2173.300000111.6A81A81-G103 CarbonylContact O-C 3.59Å; A81-G103 WeakPolarHBondContact O-CA 3.18Å
104G91.9Very high88.5Confident42 Ų4292.2 Ų92.243%0.43353%0.531SS..PPolyproline II helixtrans-69.9146.2173.400000111G80 A81G80-G104 CarbonylContact C-O 3.38Å; G80-G104 WeakPolarHBondContact CA-O 3.34Å; A81-G104 PolarHBondContact N-O 3.05Å; A81-G104 PolarHBondContact O-N 3.47Å
105S92Very high87.1Confident117 Ų11790.5 Ų90.582%0.81853%0.53SS*.PPolyproline II helixtrans-68.3144.4169.653.90000110.5
106G92Very high85.9Confident38 Ų3893.7 Ų93.739%0.39254%0.537SS..PPolyproline II helixtrans-68.4165.4167.400000111.8R78R78-G106 CarbonylContact O-C 3.55Å; R78-G106 VanDerWaalsContact O-CA 3.25Å; R78-G106 WeakPolarHBondContact O-CA 3.35Å
107E94.4Very high84.8Confident92 Ų9291.2 Ų91.243%0.4352%0.523SS..PPolyproline II helixtrans-72.5138.4172.4-66.7171.8171.500110.4A77 R78 V109A77-E107 HydrophobicContact CB-CB 4.26Å; R78-E107 HydrophobicContact CB-CG 4.17Å; R78-E107 WeakPolarHBondContact CD-OE1 3.39Å; R78-E107 WeakPolarHBondContact CG-OE2 3.43Å; R78-E107 PolarHBondContact N-OE2 2.84Å; R78-E107 PolarHBondContact O-N 2.96Å; E107-V109 HydrophobicContact CB-CG2 4.12Å
108D92.9Very high83.9Confident164 Ų16491.7 Ų91.788%0.87753%0.526SS*.  trans-116.5112.1168.4-167.7-3.9000107.3
109V91.7Very high83.6Confident64 Ų6484.9 Ų84.939%0.38849%0.493SS..  trans-133.3128.7-172.4-170.20000109.3E107 Y111E107-V109 HydrophobicContact CB-CG2 4.12Å; V109-Y111 HydrophobicContact CB-CD2 4.45Å; V109-Y111 HydrophobicContact CB-CE2 3.74Å; V109-Y111 HydrophobicContact CG1-CD2 4.13Å; V109-Y111 HydrophobicContact CG1-CE1 4.08Å; V109-Y111 HydrophobicContact CG1-CE2 3.5Å; V109-Y111 VanDerWaalsContact CG1-CZ 3.47Å
110E91Very high83.3Confident190 Ų19085.4 Ų85.489%0.88849%0.492SS*.  trans-95130.3173.4-170.8174.6-173.700110.1
111Y84Confident83.1Confident100 Ų10083.6 Ų83.639%0.39248%0.477SS..  trans-118.3133.8177.5-67.7-82.1000110.7F74 A76 V109 V113F74-Y111 AromaticContact CE1-CE1 3.69Å; F74-Y111 HydrophobicContact CE1-CE1 3.69Å; F74-Y111 HydrophobicContact CE1-CE2 4.45Å; F74-Y111 AromaticContact CE1-CZ 3.66Å; F74-Y111 AromaticContact CZ-CE1 3.74Å; F74-Y111 HydrophobicContact CZ-CE1 3.74Å; F74-Y111 AromaticContact CZ-CZ 3.8Å; F74-Y111 WeakPolarHBondContact CZ-OH 2.95Å; A76-Y111 HydrophobicContact CB-CE2 3.78Å; A76-Y111 VanDerWaalsContact O-CE2 3.29Å; A76-Y111 WeakPolarHBondContact O-CE2 3.26Å; A76-Y111 PolarHBondContact O-OH 2.68Å; V109-Y111 HydrophobicContact CB-CD2 4.45Å; V109-Y111 HydrophobicContact CB-CE2 3.74Å; V109-Y111 HydrophobicContact CG1-CD2 4.13Å; V109-Y111 HydrophobicContact CG1-CE1 4.08Å; V109-Y111 HydrophobicContact CG1-CE2 3.5Å; V109-Y111 VanDerWaalsContact CG1-CZ 3.47Å; Y111-V113 PolarHBondContact O-N 3.47Å
112A78.2Confident83Confident107 Ų10778.8 Ų78.888%0.88446%0.455SS*.  trans-82.5111.4163.700000108.9
113V68.8Low83.1Confident77 Ų7774.7 Ų74.747%0.46742%0.421SS..  trans-106.5125.7179.1-166.70000109.5L37 Y111L37-V113 HydrophobicContact CD1-CB 4.47Å; L37-V113 HydrophobicContact CD1-CG1 4.17Å; L37-V113 HydrophobicContact CD2-CB 4.38Å; L37-V113 HydrophobicContact CD2-CG1 3.46Å; L37-V113 VanDerWaalsContact CD2-CG1 3.46Å; L37-V113 HydrophobicContact CG-CG1 4.48Å; Y111-V113 PolarHBondContact O-N 3.47Å
114E63Low83.1Confident137 Ų13772.6 Ų72.664%0.6440%0.399SS*.  trans-109.7128.5177.7-66-172.7174.400111.3R116E114-R116 PolarHBondContact O-N 3.22Å
115L60.7Low83Confident88 Ų8870.9 Ų70.946%0.46138%0.381SS..  trans-71.1118.4170.3-173.772.9000108.8L37 L117L37-L115 HydrophobicContact CD1-CB 3.87Å; L37-L115 HydrophobicContact CG-CB 4.05Å; L37-L115 HydrophobicContact CG-CD1 4.08Å; L115-L117 WeakPolarHBondContact CD2-O 3.49Å; L115-L117 HydrophobicContact CG-CB 4.4Å
116R64.4Low82.8Confident195 Ų19566.7 Ų66.774%0.73635%0.35SS*.  trans-74.4-29175.3-71.3-178.3177.4175.70.9112.6E114 R196E114-R116 PolarHBondContact O-N 3.22Å; R116-R196 WeakPolarHBondContact O-CB 3.44Å; R116-R196 WeakPolarHBondContact O-CD 3.46Å; R116-R196 WeakPolarHBondContact O-CG 3.43Å
117L68.8Low82.3Confident28 Ų2869 Ų6915%0.14736%0.358CS..  trans-78.1138.6-174-64.3174.2000113.2R35 L115 R196 V198R35-L117 HydrophobicContact CB-CD1 3.4Å; R35-L117 HydrophobicContact CG-CD1 3.76Å; R35-L117 WeakPolarHBondContact O-CD1 3.46Å; L115-L117 WeakPolarHBondContact CD2-O 3.49Å; L115-L117 HydrophobicContact CG-CB 4.4Å; L117-R196 WeakPolarHBondContact CA-O 3.45Å; L117-R196 WeakPolarHBondContact CD2-O 3.37Å; L117-V198 HydrophobicContact CD1-CG2 3.81Å; L117-V198 HydrophobicContact CD2-CG2 3.94Å
118M73.4Confident81.9Confident11 Ų1171.3 Ų71.35%0.05437%0.373CS..SBendtrans-97.5-38.6173.364.9175.545.800112.4Y148 A171 L173 H193 R196M118-Y148 HydrophobicContact CB-CD1 4.04Å; M118-Y148 HydrophobicContact CB-CE1 3.61Å; M118-Y148 HydrophobicContact CB-CE2 4.14Å; M118-Y148 HydrophobicContact CB-CG 4.48Å; M118-Y148 PolarHBondContact O-OH 3.17Å; M118-A171 HydrophobicContact SD-CB 4.25Å; M118-L173 HydrophobicContact SD-CD2 4.09Å; M118-H193 VanDerWaalsContact CE-CA 3.48Å; M118-H193 HydrophobicContact CE-CB 3.67Å; M118-H193 WeakPolarHBondContact CE-CD2 3.3Å; M118-H193 HydrophobicContact SD-CB 3.75Å; M118-R196 HydrophobicContact CB-CB 4.13Å; M118-R196 HydrophobicContact CE-CB 3.76Å; M118-R196 HydrophobicContact CE-CG 4.33Å; M118-R196 HydrophobicContact CG-CB 3.73Å; M118-R196 WeakPolarHBondContact CG-O 3.4Å; M118-R196 PolarHBondContact N-O 2.85Å; M118-R196 HydrophobicContact SD-CB 4.27Å
119A84.3Confident81.7Confident6 Ų663.5 Ų63.55%0.0533%0.331CS..EExtended strand (participates in β ladder)trans-156.3159.3-173.700000109.2A121 A169 A171 C197A119-A121 VanDerWaalsContact C-N 3.34Å; A119-A169 HydrophobicContact CB-CB 4.24Å; A119-A171 HydrophobicContact CB-CB 3.66Å; A119-C197 WeakPolarHBondContact O-CA 2.91Å
120H87.3Confident81.7Confident66 Ų6661.2 Ų61.231%0.30632%0.32SS..EExtended strand (participates in β ladder)trans-72.6-34.4174.1-53.287.8000110.5L168 A169 V198 C199 L286H120-L168 HydrophobicContact CB-CD2 4.1Å; H120-A169 PolarHBondContact N-O 3.24Å; H120-A169 PolarHBondContact ND1-N 2.95Å; H120-A169 PolarHBondContact ND1-O 3.26Å; H120-V198 VanDerWaalsContact O-CB 3.28Å; H120-V198 WeakPolarHBondContact O-CB 3.48Å; H120-V198 PolarHBondContact O-N 3.1Å; H120-V198 VanDerWaalsContact O-N 3.15Å; H120-C199 PolarHBondContact O-N 3.27Å; H120-C199 PolarHBondContact O-SG 3.37Å; H120-L286 HydrophobicContact CB-CD1 3.64Å; H120-L286 HydrophobicContact CB-CD2 4.1Å
121A90.6Very high81.7Confident0 Ų053.2 Ų53.20%028%0.283CS..EExtended strand (participates in β ladder)trans-133144.817900000112.5A119 A169 V170 A171 C199 L201 L282A119-A121 VanDerWaalsContact C-N 3.34Å; A121-A169 PolarHBondContact N-O 3.08Å; A121-V170 HydrophobicContact CB-CG1 4.3Å; A121-V170 HydrophobicContact CB-CG2 4.09Å; A121-V170 CarbonylContact O-C 3.44Å; A121-V170 WeakPolarHBondContact O-CA 3.36Å; A121-A171 PolarHBondContact O-N 2.86Å; A121-C199 CarbonylContact C-O 3.59Å; A121-C199 VanDerWaalsContact CA-O 3.3Å; A121-C199 WeakPolarHBondContact CA-O 3.4Å; A121-C199 WeakPolarHBondContact CB-SG 3.33Å; A121-L201 HydrophobicContact CB-CD1 3.91Å; A121-L201 HydrophobicContact CB-CG 4.07Å; A121-L282 HydrophobicContact CB-CD1 3.91Å; A121-L282 HydrophobicContact CB-CD2 4.24Å
122G91.9Very high82Confident0 Ų050.7 Ų50.70%028%0.28CS..EExtended strand (participates in β ladder)trans-114.5123.5174.100000112V124 A171 C197 C199 L201G122-V124 PolarHBondContact O-N 3.07Å; G122-A171 WeakPolarHBondContact CA-O 3.19Å; G122-C197 VanDerWaalsContact CA-SG 3.59Å; G122-C199 PolarHBondContact N-O 2.96Å; G122-L201 PolarHBondContact O-N 3.11Å
123L92.8Very high82.6Confident0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-78.6117.4172.8-64.6162.6000109.8K131 L134 L135 V170 A171 D172 L173 L201 V203 I238L123-K131 HydrophobicContact CB-CB 4.28Å; L123-K131 HydrophobicContact CB-CG 4.46Å; L123-L134 HydrophobicContact CD2-CD2 3.99Å; L123-L135 HydrophobicContact CD1-CB 3.83Å; L123-L135 HydrophobicContact CD1-CD1 4.07Å; L123-L135 HydrophobicContact CD1-CG 4.49Å; L123-V170 HydrophobicContact CD1-CG1 3.99Å; L123-V170 HydrophobicContact CG-CG1 3.9Å; L123-A171 PolarHBondContact N-O 3.13Å; L123-D172 HydrophobicContact CD1-CB 4.49Å; L123-L173 WeakPolarHBondContact O-CB 3.4Å; L123-L173 PolarHBondContact O-N 3.41Å; L123-L201 WeakPolarHBondContact CA-O 3.35Å; L123-L201 HydrophobicContact CD2-CB 3.71Å; L123-L201 HydrophobicContact CD2-CD1 3.78Å; L123-L201 HydrophobicContact CD2-CG 4.39Å; L123-L201 HydrophobicContact CG-CB 4.49Å; L123-L201 HydrophobicContact CG-CD1 4.45Å; L123-V203 HydrophobicContact CB-CG2 4.36Å; L123-V203 HydrophobicContact CD2-CG2 3.64Å; L123-I238 HydrophobicContact CD2-CD1 4.45Å
124V90.5Very high83.7Confident2 Ų244.6 Ų44.61%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-118.1138.3178.3179.20000109.1G122 L173 F190 V194 L200 L201 F202 V203 L219 I223G122-V124 PolarHBondContact O-N 3.07Å; V124-L173 HydrophobicContact CG2-CD1 3.8Å; V124-F190 HydrophobicContact CB-CZ 4.47Å; V124-F190 HydrophobicContact CG1-CE2 4.47Å; V124-F190 HydrophobicContact CG1-CZ 3.79Å; V124-F190 HydrophobicContact CG2-CE2 4.29Å; V124-F190 HydrophobicContact CG2-CZ 3.89Å; V124-V194 HydrophobicContact CG2-CG2 4.39Å; V124-L200 HydrophobicContact CG2-CD2 4.37Å; V124-L201 PolarHBondContact N-O 3.12Å; V124-F202 HydrophobicContact CG1-CD1 4.43Å; V124-F202 HydrophobicContact CG1-CE1 4.38Å; V124-F202 CarbonylContact O-C 3.6Å; V124-F202 WeakPolarHBondContact O-CA 3.29Å; V124-V203 PolarHBondContact O-N 2.82Å; V124-L219 HydrophobicContact CG1-CD2 4.32Å; V124-I223 HydrophobicContact CG1-CD1 4.31Å
125G89.9Confident85.1Confident6 Ų638.1 Ų38.16%0.06220%0.204CC..  trans172.6159.7-176.500000112K131 V203G125-K131 WeakPolarHBondContact O-CE 3.46Å; G125-V203 WeakPolarHBondContact CA-O 3.36Å
126L87.6Confident86.6Confident30 Ų3041 Ų4116%0.15721%0.209CC..  trans-61.8162.3178.8-65.8176.1000111.7N128 A129 Q215 L219L126-N128 PolarHBondContact O-N 3.45Å; L126-A129 WeakPolarHBondContact O-CB 3.34Å; L126-A129 PolarHBondContact O-N 2.75Å; L126-A129 VanDerWaalsContact O-N 3.13Å; L126-Q215 HydrophobicContact CD1-CB 4.01Å; L126-Q215 HydrophobicContact CD1-CG 3.84Å; L126-L219 HydrophobicContact CD2-CD2 4Å; L126-L219 HydrophobicContact CG-CD2 4.18Å; L126-L219 HydrophobicContact CG-CG 4.44Å
127P83.3Confident87.8Confident87 Ų8733.6 Ų33.657%0.56519%0.186SC*.THydrogen-bonded Turntrans-50.2141.4170.6-26.635.3000111.5A129P127-A129 PolarHBondContact O-N 2.98Å
128N84.8Confident88.8Confident139 Ų13932.8 Ų32.874%0.74318%0.182SC*.THydrogen-bonded Turntrans61.27.8-178.8-57.2-32.1000116.3L126 G130 K241L126-N128 PolarHBondContact O-N 3.45Å; N128-G130 PolarHBondContact O-N 3.47Å; N128-K241 WeakPolarHBondContact O-CE 3.28Å; N128-K241 PolarHBondContact O-NZ 2.81Å
129A89.3Confident89.5Confident1 Ų132.6 Ų32.61%0.00818%0.182CC..SBendtrans-61.4-11.817300000113.8L126 P127 V203 D205 N240L126-A129 WeakPolarHBondContact O-CB 3.34Å; L126-A129 PolarHBondContact O-N 2.75Å; L126-A129 VanDerWaalsContact O-N 3.13Å; P127-A129 PolarHBondContact O-N 2.98Å; A129-V203 HydrophobicContact CB-CB 4.45Å; A129-V203 HydrophobicContact CB-CG1 4.09Å; A129-V203 WeakPolarHBondContact CB-O 3.3Å; A129-V203 WeakPolarHBondContact O-CG1 3.35Å; A129-D205 HydrophobicContact CB-CB 4.44Å; A129-N240 PolarHBondContact O-ND2 2.81Å
130G90.4Very high89Confident15 Ų1541 Ų4116%0.15521%0.212CC..  trans9119.3175.200000114.4N128 S132 S133 L134N128-G130 PolarHBondContact O-N 3.47Å; G130-S132 PolarHBondContact O-N 3.24Å; G130-S133 PolarHBondContact O-N 3.29Å; G130-L134 WeakPolarHBondContact O-CB 3.22Å; G130-L134 PolarHBondContact O-N 3.22Å
131K91Very high88.2Confident22 Ų2240.4 Ų40.410%0.09622%0.218CC..Hα-helixtrans-50.7-52.8178.5-57.5-178.4-65.3100.20113.2L123 G125 S133 L134 L135 D172 L173 V203L123-K131 HydrophobicContact CB-CB 4.28Å; L123-K131 HydrophobicContact CB-CG 4.46Å; G125-K131 WeakPolarHBondContact O-CE 3.46Å; K131-S133 VanDerWaalsContact C-N 3.33Å; K131-S133 PolarHBondContact O-N 3.5Å; K131-L134 PolarHBondContact O-N 3.13Å; K131-L135 WeakPolarHBondContact O-CB 3.19Å; K131-L135 PolarHBondContact O-N 2.71Å; K131-D172 WeakPolarHBondContact CB-OD1 3.47Å; K131-D172 IonicContact NZ-OD1 3.47Å; K131-D172 PolarHBondContact NZ-OD1 3.3Å; K131-L173 PolarHBondContact NZ-O 2.94Å; K131-V203 HydrophobicContact CG-CB 4.01Å; K131-V203 HydrophobicContact CG-CG1 4.39Å; K131-V203 HydrophobicContact CG-CG2 4.07Å
132S90.1Very high87.5Confident47 Ų4751.6 Ų51.633%0.32926%0.261SS..Hα-helixtrans-66.8-34.8-178.6-40.70000112.5G130 R136 D172G130-S132 PolarHBondContact O-N 3.24Å; S132-R136 WeakPolarHBondContact O-CG 3.17Å; S132-R136 PolarHBondContact O-N 2.81Å; S132-R136 VanDerWaalsContact O-N 3.16Å; S132-D172 VanDerWaalsContact CA-OD2 3.31Å; S132-D172 WeakPolarHBondContact CA-OD2 3.31Å; S132-D172 VanDerWaalsContact CB-OD2 3.28Å; S132-D172 WeakPolarHBondContact CB-OD2 3.18Å; S132-D172 PolarHBondContact N-OD2 2.84Å; S132-D172 PolarHBondContact OG-OD2 3.19Å
133S90.9Very high86.8Confident57 Ų5753 Ų5340%0.39927%0.269SS..Hα-helixtrans-67.2-46.2174.4-59.60000110.6G130 K131 L135 R136 C137G130-S133 PolarHBondContact O-N 3.29Å; K131-S133 VanDerWaalsContact C-N 3.33Å; K131-S133 PolarHBondContact O-N 3.5Å; S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact O-N 2.72Å; S133-R136 WeakPolarHBondContact O-CB 3.25Å; S133-R136 PolarHBondContact O-N 2.87Å; S133-R136 VanDerWaalsContact O-N 3.11Å; S133-C137 PolarHBondContact O-N 2.84Å; S133-C137 PolarHBondContact O-SG 2.94Å
134L92.6Very high86Confident0 Ų060.7 Ų60.70%030%0.303CS..Hα-helixtrans-59.9-41.6176.6-167.969.9000111.6L123 G130 K131 R136 C137 L138 V203 I238 V267 A269 I275 L278L123-L134 HydrophobicContact CD2-CD2 3.99Å; G130-L134 WeakPolarHBondContact O-CB 3.22Å; G130-L134 PolarHBondContact O-N 3.22Å; K131-L134 PolarHBondContact O-N 3.13Å; L134-R136 VanDerWaalsContact C-N 3.32Å; L134-R136 PolarHBondContact O-N 3.04Å; L134-C137 PolarHBondContact O-N 2.95Å; L134-L138 HydrophobicContact CG-CD1 4.14Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.98Å; L134-V203 HydrophobicContact CD2-CG2 4.04Å; L134-I238 HydrophobicContact CD2-CD1 3.87Å; L134-I238 HydrophobicContact CD2-CG2 4.1Å; L134-V267 HydrophobicContact CD1-CG2 3.8Å; L134-A269 HydrophobicContact CB-CB 4.34Å; L134-A269 HydrophobicContact CD1-CB 4.11Å; L134-I275 HydrophobicContact CD1-CD1 3.44Å; L134-I275 VanDerWaalsContact CD1-CD1 3.44Å; L134-L278 HydrophobicContact CD1-CD2 4.13Å; L134-L278 HydrophobicContact CD2-CD2 4.02Å; L134-L278 HydrophobicContact CG-CD2 4.28Å
135L93Very high85.1Confident1 Ų164.1 Ų64.11%0.00532%0.323CS..Hα-helixtrans-60.3-41.2175.3-174.465.5000112.2L123 K131 S133 C137 L138 S139 P143 H156 V170 D172L123-L135 HydrophobicContact CD1-CB 3.83Å; L123-L135 HydrophobicContact CD1-CD1 4.07Å; L123-L135 HydrophobicContact CD1-CG 4.49Å; K131-L135 WeakPolarHBondContact O-CB 3.19Å; K131-L135 PolarHBondContact O-N 2.71Å; S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact O-N 2.72Å; L135-C137 VanDerWaalsContact C-N 3.33Å; L135-L138 PolarHBondContact O-N 2.87Å; L135-S139 WeakPolarHBondContact O-CB 3.3Å; L135-S139 PolarHBondContact O-N 2.84Å; L135-P143 HydrophobicContact CD2-CB 3.96Å; L135-P143 HydrophobicContact CD2-CG 4.09Å; L135-P143 HydrophobicContact CG-CB 4.46Å; L135-P143 HydrophobicContact CG-CG 4.1Å; L135-H156 HydrophobicContact CD2-CB 3.81Å; L135-H156 VanDerWaalsContact CD2-O 3.26Å; L135-H156 WeakPolarHBondContact CD2-O 3.31Å; L135-V170 HydrophobicContact CD1-CB 3.84Å; L135-V170 HydrophobicContact CD1-CG1 3.8Å; L135-V170 WeakPolarHBondContact CD1-O 3.44Å; L135-D172 HydrophobicContact CD2-CB 3.67Å
136R90.9Very high83.7Confident149 Ų14964.4 Ų64.456%0.56233%0.327SS*.Hα-helixtrans-66.4-35176.6-71.6179.1-166.4115.1-0.7112.3S132 S133 L134 P143S132-R136 WeakPolarHBondContact O-CG 3.17Å; S132-R136 PolarHBondContact O-N 2.81Å; S132-R136 VanDerWaalsContact O-N 3.16Å; S133-R136 WeakPolarHBondContact O-CB 3.25Å; S133-R136 PolarHBondContact O-N 2.87Å; S133-R136 VanDerWaalsContact O-N 3.11Å; L134-R136 VanDerWaalsContact C-N 3.32Å; L134-R136 PolarHBondContact O-N 3.04Å; R136-P143 HydrophobicContact CG-CG 3.86Å
137C91.1Very high82.5Confident38 Ų3868.1 Ų68.126%0.25735%0.353SS..Hα-helixtrans-71.5-40.3176.4-61.90000112S133 L134 L135 A269 I275S133-C137 PolarHBondContact O-N 2.84Å; S133-C137 PolarHBondContact O-SG 2.94Å; L134-C137 PolarHBondContact O-N 2.95Å; L135-C137 VanDerWaalsContact C-N 3.33Å; C137-A269 PolarHBondContact SG-O 2.85Å; C137-I275 HydrophobicContact CB-CD1 4.05Å; C137-I275 HydrophobicContact CB-CG1 4.19Å; C137-I275 HydrophobicContact CB-CG2 4.28Å
138L90Very high81.4Confident12 Ų1266.7 Ų66.76%0.06334%0.337CS..Hα-helixtrans-70.7-35.9177.8-72.9167.8000112.4L134 L135 L160 I275 L278 A279L134-L138 HydrophobicContact CG-CD1 4.14Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.98Å; L135-L138 PolarHBondContact O-N 2.87Å; L138-L160 HydrophobicContact CB-CD1 3.88Å; L138-L160 HydrophobicContact CB-CD2 4.46Å; L138-L160 HydrophobicContact CB-CG 4.16Å; L138-L160 HydrophobicContact CD2-CD2 4.2Å; L138-I275 HydrophobicContact CD2-CG2 3.76Å; L138-I275 HydrophobicContact CG-CG2 4.26Å; L138-L278 HydrophobicContact CD1-CD2 3.95Å; L138-L278 HydrophobicContact CD2-CD2 4Å; L138-L278 HydrophobicContact CD2-CG 4.16Å; L138-L278 HydrophobicContact CG-CD2 4.37Å; L138-A279 HydrophobicContact CD2-CB 4.31Å
139S86.6Confident79.5Confident7 Ų765.8 Ų65.85%0.04933%0.33CS..  trans-86.8115-177.8-173.70000110.7L135 A141 G158 V159L135-S139 WeakPolarHBondContact O-CB 3.3Å; L135-S139 PolarHBondContact O-N 2.84Å; S139-A141 VanDerWaalsContact CB-O 3.3Å; S139-A141 WeakPolarHBondContact CB-O 3.48Å; S139-A141 PolarHBondContact O-N 3.17Å; S139-A141 PolarHBondContact OG-O 3.12Å; S139-G158 WeakPolarHBondContact OG-CA 3.26Å; S139-V159 PolarHBondContact OG-N 3.45Å
140R74.5Confident77.7Confident183 Ų18372 Ų7269%0.69136%0.357SS*.SBendtrans-59.1-30.4173-69.6-174.9-177.6168.3-1.8112.5Q161R140-Q161 PolarHBondContact NH2-O 2.88Å
141A70.1Confident75.7Confident52 Ų5272.4 Ų72.443%0.4336%0.357SS..SBendtrans-97.5155.4175.100000111.1S139S139-A141 VanDerWaalsContact CB-O 3.3Å; S139-A141 WeakPolarHBondContact CB-O 3.48Å; S139-A141 PolarHBondContact O-N 3.17Å; S139-A141 PolarHBondContact OG-O 3.12Å
142R76.4Confident73.9Confident236 Ų23676.2 Ų76.289%0.89138%0.382SS*.PPolyproline II helixtrans-55.4130.7169.5-73.7-169.9175.6-161.4-0.1109.7K144R142-K144 PolarHBondContact O-N 3.38Å
143P76.8Confident72.8Confident28 Ų2876.2 Ų76.218%0.18238%0.38CS..PPolyproline II helixtrans-54.9128.5177.2-27.635.1000111.4L135 R136 H156 I157L135-P143 HydrophobicContact CD2-CB 3.96Å; L135-P143 HydrophobicContact CD2-CG 4.09Å; L135-P143 HydrophobicContact CG-CB 4.46Å; L135-P143 HydrophobicContact CG-CG 4.1Å; R136-P143 HydrophobicContact CG-CG 3.86Å; P143-H156 HydrophobicContact CB-CB 4.26Å; P143-I157 CarbonylContact C-O 3.58Å; P143-I157 WeakPolarHBondContact CA-O 3.34Å
144K75.9Confident72Confident163 Ų16381.7 Ų81.771%0.70939%0.392SS*.EExtended strand (participates in β ladder)trans-83.7137.6177-67.7-178.7-180178.40109R142 I157R142-K144 PolarHBondContact O-N 3.38Å; K144-I157 PolarHBondContact N-O 2.73Å; K144-I157 PolarHBondContact O-N 2.74Å
145V72.7Confident71.4Confident73 Ų7381.7 Ų81.744%0.44239%0.392SS..EExtended strand (participates in β ladder)trans-90.8115.7173.2-176.60000107.7R154 H156V145-R154 HydrophobicContact CG1-CB 3.45Å; V145-R154 VanDerWaalsContact CG1-CB 3.45Å; V145-R154 HydrophobicContact CG1-CG 4.12Å; V145-H156 WeakPolarHBondContact CG2-ND1 3.39Å
146G60.7Low71.1Confident13 Ų1385.2 Ų85.213%0.13441%0.408CS..  trans-107.8132.9-178.100000112.6Y148G146-Y148 PolarHBondContact O-N 2.92Å
147P61.1Low70.9Confident108 Ų10879.3 Ų79.370%0.70139%0.388SS*.  trans-78.8102.116431.5-29.1000108.8
148Y60.7Low70.8Confident57 Ų5777.5 Ų77.522%0.22438%0.376CS..  trans-84.9138.6172-73.4-85.1000110M118 G146 F150 T151 P155 I157M118-Y148 HydrophobicContact CB-CD1 4.04Å; M118-Y148 HydrophobicContact CB-CE1 3.61Å; M118-Y148 HydrophobicContact CB-CE2 4.14Å; M118-Y148 HydrophobicContact CB-CG 4.48Å; M118-Y148 PolarHBondContact O-OH 3.17Å; G146-Y148 PolarHBondContact O-N 2.92Å; Y148-F150 PolarHBondContact O-N 3.06Å; Y148-T151 PolarHBondContact O-N 3.35Å; Y148-T151 PolarHBondContact O-OG1 3.31Å; Y148-T151 VanDerWaalsContact O-OG1 3.12Å; Y148-P155 HydrophobicContact CD2-CG 3.45Å; Y148-P155 VanDerWaalsContact CD2-CG 3.45Å; Y148-P155 HydrophobicContact CE2-CG 3.61Å; Y148-I157 HydrophobicContact CE2-CD1 3.47Å; Y148-I157 VanDerWaalsContact CE2-CD1 3.47Å; Y148-I157 HydrophobicContact CE2-CG1 3.83Å; Y148-I157 WeakPolarHBondContact OH-CD1 3.43Å; Y148-I157 WeakPolarHBondContact OH-CG1 3.4Å
149I44.6Very low70.8Confident119 Ų11979.1 Ų79.161%0.6139%0.386SS*.THydrogen-bonded Turntrans-57133.5179.7-51.8178.7000108.5R196I149-R196 PolarHBondContact O-NH1 2.81Å; I149-R196 PolarHBondContact O-NH2 2.92Å; I149-R196 VanDerWaalsContact O-NH2 3.12Å
150F52.4Low70.8Confident131 Ų13179 Ų7958%0.57539%0.385SS*.THydrogen-bonded Turntrans72.38.8-175.3-43.1-78000116Y148 R192Y148-F150 PolarHBondContact O-N 3.06Å; F150-R192 PolarHBondContact O-NH1 3.19Å; F150-R192 PolarHBondContact O-NH2 3.04Å
151T48.1Very low71.4Confident24 Ų2474.3 Ų74.315%0.14737%0.371CS..  trans-98.9131.2173.977.70000110.5Y148 T153 H193Y148-T151 PolarHBondContact O-N 3.35Å; Y148-T151 PolarHBondContact O-OG1 3.31Å; Y148-T151 VanDerWaalsContact O-OG1 3.12Å; T151-T153 WeakPolarHBondContact CB-O 3.34Å; T151-T153 PolarHBondContact OG1-O 3.3Å; T151-H193 WeakPolarHBondContact CB-NE2 3.47Å; T151-H193 WeakPolarHBondContact CG2-NE2 2.98Å
152T52.6Low72.2Confident103 Ų10373.5 Ų73.563%0.63236%0.357SS*.SBendtrans-83.9-32.7171.949.30000110.8Q189T152-Q189 PolarHBondContact OG1-NE2 3.18Å; T152-Q189 PolarHBondContact OG1-OE1 2.69Å
153T67.5Low72.5Confident46 Ų4667.6 Ų67.628%0.28236%0.358SS..SBendtrans-94.3137.4172.352.90000110.3T151 P155 P174T151-T153 WeakPolarHBondContact CB-O 3.34Å; T151-T153 PolarHBondContact OG1-O 3.3Å; T153-P155 WeakPolarHBondContact O-CD 3.46Å; T153-P174 WeakPolarHBondContact OG1-CG 3.28Å
154R74.3Confident72.9Confident172 Ų17270.7 Ų70.765%0.64937%0.373SS*.  trans-88.6113.2177.8-60.4-178.4-179.8174.4-3.8109.8V145V145-R154 HydrophobicContact CG1-CB 3.45Å; V145-R154 VanDerWaalsContact CG1-CB 3.45Å; V145-R154 HydrophobicContact CG1-CG 4.12Å
155P80.2Confident73.1Confident1 Ų165.7 Ų65.71%0.00637%0.368CS..  trans-69.7149.5171.931.2-35.9000110.4Y148 T153Y148-P155 HydrophobicContact CD2-CG 3.45Å; Y148-P155 VanDerWaalsContact CD2-CG 3.45Å; Y148-P155 HydrophobicContact CE2-CG 3.61Å; T153-P155 WeakPolarHBondContact O-CD 3.46Å
156H86.2Confident73.5Confident74 Ų7467 Ų6734%0.34337%0.368SS..EExtended strand (participates in β ladder)trans-88.2128169.7-66.8-92.2000109.1L135 P143 V145 A171 D172L135-H156 HydrophobicContact CD2-CB 3.81Å; L135-H156 VanDerWaalsContact CD2-O 3.26Å; L135-H156 WeakPolarHBondContact CD2-O 3.31Å; P143-H156 HydrophobicContact CB-CB 4.26Å; V145-H156 WeakPolarHBondContact CG2-ND1 3.39Å; H156-A171 CarbonylContact O-C 3.38Å; H156-A171 WeakPolarHBondContact O-CA 3.38Å; H156-D172 HydrophobicContact CB-CB 4.16Å; H156-D172 PolarHBondContact O-N 3.49Å
157I87.6Confident74.6Confident25 Ų2571.9 Ų71.913%0.12839%0.387CS..EExtended strand (participates in β ladder)trans-110.3119.1-179.1-48.1148.4000108.5P143 K144 Y148 A169 V170P143-I157 CarbonylContact C-O 3.58Å; P143-I157 WeakPolarHBondContact CA-O 3.34Å; K144-I157 PolarHBondContact N-O 2.73Å; K144-I157 PolarHBondContact O-N 2.74Å; Y148-I157 HydrophobicContact CE2-CD1 3.47Å; Y148-I157 VanDerWaalsContact CE2-CD1 3.47Å; Y148-I157 HydrophobicContact CE2-CG1 3.83Å; Y148-I157 WeakPolarHBondContact OH-CD1 3.43Å; Y148-I157 WeakPolarHBondContact OH-CG1 3.4Å; I157-A169 HydrophobicContact CG2-CB 4.06Å; I157-V170 WeakPolarHBondContact CA-O 3.43Å
158G89Confident75.9Confident0 Ų067.4 Ų67.40%036%0.357CS..EExtended strand (participates in β ladder)trans-99.2150.1167.800000110.3S139 A169 V170S139-G158 WeakPolarHBondContact OG-CA 3.26Å; G158-A169 CarbonylContact O-C 3.54Å; G158-A169 WeakPolarHBondContact O-CA 3.39Å; G158-V170 PolarHBondContact N-O 2.65Å; G158-V170 PolarHBondContact O-N 2.59Å
159V88.1Confident77.1Confident46 Ų4665.6 Ų65.628%0.27935%0.354SS..EExtended strand (participates in β ladder)trans-119.9116.9176.6-1780000108.7S139 Q167S139-V159 PolarHBondContact OG-N 3.45Å; V159-Q167 HydrophobicContact CG1-CB 3.94Å; V159-Q167 HydrophobicContact CG1-CG 4.41Å
160L88.6Confident79.4Confident5 Ų560 Ų603%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-81134.3170-73.765.9000108L138 Y162 Q167 L168 V170 A279 L282L138-L160 HydrophobicContact CB-CD1 3.88Å; L138-L160 HydrophobicContact CB-CD2 4.46Å; L138-L160 HydrophobicContact CB-CG 4.16Å; L138-L160 HydrophobicContact CD2-CD2 4.2Å; L160-Y162 HydrophobicContact CB-CE2 3.96Å; L160-Y162 WeakPolarHBondContact CD2-OH 3.2Å; L160-Q167 VanDerWaalsContact O-CA 3.29Å; L160-Q167 WeakPolarHBondContact O-CA 3.48Å; L160-L168 HydrophobicContact CB-CB 4.44Å; L160-L168 PolarHBondContact N-O 3.28Å; L160-L168 PolarHBondContact O-N 3.44Å; L160-V170 HydrophobicContact CD1-CB 4.16Å; L160-V170 HydrophobicContact CD1-CG2 3.47Å; L160-V170 VanDerWaalsContact CD1-CG2 3.47Å; L160-A279 HydrophobicContact CD2-CB 3.98Å; L160-L282 HydrophobicContact CD2-CD2 4.07Å
161Q85.3Confident81.1Confident85 Ų8553.7 Ų53.740%0.39730%0.298SS..EExtended strand (participates in β ladder)trans-116.6121.6175.5-66.1-179.7-7.800109R140 Q167R140-Q161 PolarHBondContact NH2-O 2.88Å; Q161-Q167 HydrophobicContact CG-CG 4.33Å
162Y86.9Confident83.1Confident35 Ų3553 Ų5314%0.13729%0.293CS..  trans-92.7161.1178.1-64.6-87.9000110.7L160 D164 G165 K166 L168 A279 R283L160-Y162 HydrophobicContact CB-CE2 3.96Å; L160-Y162 WeakPolarHBondContact CD2-OH 3.2Å; Y162-D164 WeakPolarHBondContact CB-OD1 3.37Å; Y162-D164 PolarHBondContact O-N 3.46Å; Y162-G165 PolarHBondContact O-N 3.04Å; Y162-G165 VanDerWaalsContact O-N 3.09Å; Y162-K166 WeakPolarHBondContact CD2-O 3.03Å; Y162-K166 PolarHBondContact N-O 2.96Å; Y162-L168 HydrophobicContact CD2-CG 4.47Å; Y162-L168 HydrophobicContact CE2-CB 4.02Å; Y162-L168 HydrophobicContact CE2-CD1 3.53Å; Y162-L168 HydrophobicContact CE2-CG 3.68Å; Y162-L168 WeakPolarHBondContact OH-CD1 3.02Å; Y162-A279 HydrophobicContact CE1-CB 4.41Å; Y162-A279 WeakPolarHBondContact CE1-O 3.45Å; Y162-A279 PolarHBondContact OH-O 3.13Å; Y162-R283 HydrophobicContact CD1-CB 4.35Å; Y162-R283 HydrophobicContact CD1-CG 4.32Å; Y162-R283 HydrophobicContact CE1-CB 3.6Å; Y162-R283 HydrophobicContact CE1-CG 4.03Å
163A83.9Confident84.6Confident111 Ų11148.1 Ų48.192%0.91726%0.263SS*.THydrogen-bonded Turntrans-64.4-25.1-179.600000113.1G165A163-G165 PolarHBondContact O-N 3.45Å
164D85.7Confident84.9Confident94 Ų9447.7 Ų47.750%0.50326%0.261SS..THydrogen-bonded Turntrans-78.65.8175.267.5-9.3000113.5Y162 K166 R283Y162-D164 WeakPolarHBondContact CB-OD1 3.37Å; Y162-D164 PolarHBondContact O-N 3.46Å; D164-K166 PolarHBondContact O-N 3.39Å; D164-K166 WeakPolarHBondContact OD1-CB 3.36Å; D164-K166 PolarHBondContact OD1-N 3.17Å; D164-K166 VanDerWaalsContact OD1-N 3.13Å; D164-R283 IonicContact OD1-NH1 2.67Å; D164-R283 PolarHBondContact OD1-NH1 3.49Å; D164-R283 VanDerWaalsContact OD1-NH1 3.12Å; D164-R283 IonicContact OD2-CZ 2.72Å; D164-R283 VanDerWaalsContact OD2-CZ 3.28Å; D164-R283 IonicContact OD2-NH1 2.65Å; D164-R283 PolarHBondContact OD2-NH1 3.02Å; D164-R283 IonicContact OD2-NH2 2.87Å; D164-R283 PolarHBondContact OD2-NH2 2.78Å
165G79.3Confident84.6Confident58 Ų5841.9 Ų41.960%0.59826%0.255SS*.SBendtrans79.8-6.4-179.300000114.5Y162 A163Y162-G165 PolarHBondContact O-N 3.04Å; Y162-G165 VanDerWaalsContact O-N 3.09Å; A163-G165 PolarHBondContact O-N 3.45Å
166K81.3Confident83.6Confident100 Ų10042.4 Ų42.444%0.43526%0.258SS..  trans-68.7149.5175.1-61.8-156.9-154.1168.20110.8Y162 D164 R283 D287Y162-K166 WeakPolarHBondContact CD2-O 3.03Å; Y162-K166 PolarHBondContact N-O 2.96Å; D164-K166 PolarHBondContact O-N 3.39Å; D164-K166 WeakPolarHBondContact OD1-CB 3.36Å; D164-K166 PolarHBondContact OD1-N 3.17Å; D164-K166 VanDerWaalsContact OD1-N 3.13Å; K166-R283 VanDerWaalsContact CD-CZ 3.45Å; K166-R283 VanDerWaalsContact CD-NH2 3.31Å; K166-D287 IonicContact NZ-OD1 2.78Å; K166-D287 IonicContact NZ-OD2 2.99Å
167Q84.4Confident81.9Confident116 Ų11643.4 Ų43.454%0.54227%0.265SS..EExtended strand (participates in β ladder)trans-124.5135.2-179.3-60-1738.800110.5V159 L160 Q161V159-Q167 HydrophobicContact CG1-CB 3.94Å; V159-Q167 HydrophobicContact CG1-CG 4.41Å; L160-Q167 VanDerWaalsContact O-CA 3.29Å; L160-Q167 WeakPolarHBondContact O-CA 3.48Å; Q161-Q167 HydrophobicContact CG-CG 4.33Å
168L86.5Confident80Confident13 Ų1346.3 Ų46.37%0.06829%0.292CS..EExtended strand (participates in β ladder)trans-122.3116.4174.2-66.1-179.8000110.2H120 L160 Y162 R283 L286H120-L168 HydrophobicContact CB-CD2 4.1Å; L160-L168 HydrophobicContact CB-CB 4.44Å; L160-L168 PolarHBondContact N-O 3.28Å; L160-L168 PolarHBondContact O-N 3.44Å; Y162-L168 HydrophobicContact CD2-CG 4.47Å; Y162-L168 HydrophobicContact CE2-CB 4.02Å; Y162-L168 HydrophobicContact CE2-CD1 3.53Å; Y162-L168 HydrophobicContact CE2-CG 3.68Å; Y162-L168 WeakPolarHBondContact OH-CD1 3.02Å; L168-R283 HydrophobicContact CD1-CB 4.49Å; L168-L286 HydrophobicContact CD1-CD1 3.48Å; L168-L286 VanDerWaalsContact CD1-CD1 3.48Å; L168-L286 HydrophobicContact CD2-CD1 3.99Å; L168-L286 HydrophobicContact CG-CD1 4.27Å
169A87.7Confident78.1Confident20 Ų2047.9 Ų47.917%0.16531%0.309CS..EExtended strand (participates in β ladder)trans-71.5130.9166.700000111.3A119 H120 A121 I157 G158A119-A169 HydrophobicContact CB-CB 4.24Å; H120-A169 PolarHBondContact N-O 3.24Å; H120-A169 PolarHBondContact ND1-N 2.95Å; H120-A169 PolarHBondContact ND1-O 3.26Å; A121-A169 PolarHBondContact N-O 3.08Å; I157-A169 HydrophobicContact CG2-CB 4.06Å; G158-A169 CarbonylContact O-C 3.54Å; G158-A169 WeakPolarHBondContact O-CA 3.39Å
170V91.1Very high76Confident0 Ų045.8 Ų45.80%030%0.297CS..EExtended strand (participates in β ladder)trans-121.5131.3172179.10000107.9A121 L123 L135 I157 G158 L160 L201 L282A121-V170 HydrophobicContact CB-CG1 4.3Å; A121-V170 HydrophobicContact CB-CG2 4.09Å; A121-V170 CarbonylContact O-C 3.44Å; A121-V170 WeakPolarHBondContact O-CA 3.36Å; L123-V170 HydrophobicContact CD1-CG1 3.99Å; L123-V170 HydrophobicContact CG-CG1 3.9Å; L135-V170 HydrophobicContact CD1-CB 3.84Å; L135-V170 HydrophobicContact CD1-CG1 3.8Å; L135-V170 WeakPolarHBondContact CD1-O 3.44Å; I157-V170 WeakPolarHBondContact CA-O 3.43Å; G158-V170 PolarHBondContact N-O 2.65Å; G158-V170 PolarHBondContact O-N 2.59Å; L160-V170 HydrophobicContact CD1-CB 4.16Å; L160-V170 HydrophobicContact CD1-CG2 3.47Å; L160-V170 VanDerWaalsContact CD1-CG2 3.47Å; V170-L201 HydrophobicContact CG1-CD1 4.34Å; V170-L282 HydrophobicContact CG2-CD2 3.86Å
171A89.7Confident74.2Confident0 Ų051.5 Ų51.50%032%0.323CS..EExtended strand (participates in β ladder)trans-102.7131.4178.100000110.6M118 A119 A121 G122 L123 H156 L173M118-A171 HydrophobicContact SD-CB 4.25Å; A119-A171 HydrophobicContact CB-CB 3.66Å; A121-A171 PolarHBondContact O-N 2.86Å; G122-A171 WeakPolarHBondContact CA-O 3.19Å; L123-A171 PolarHBondContact N-O 3.13Å; H156-A171 CarbonylContact O-C 3.38Å; H156-A171 WeakPolarHBondContact O-CA 3.38Å; A171-L173 HydrophobicContact CB-CD2 3.83Å; A171-L173 PolarHBondContact O-N 3.2Å
172D90.2Very high72.3Confident8 Ų856.7 Ų56.74%0.04334%0.339CS..EExtended strand (participates in β ladder)trans-79.9106.8161.9-179.217.2000108.4L123 K131 S132 L135 H156L123-D172 HydrophobicContact CD1-CB 4.49Å; K131-D172 WeakPolarHBondContact CB-OD1 3.47Å; K131-D172 IonicContact NZ-OD1 3.47Å; K131-D172 PolarHBondContact NZ-OD1 3.3Å; S132-D172 VanDerWaalsContact CA-OD2 3.31Å; S132-D172 WeakPolarHBondContact CA-OD2 3.31Å; S132-D172 VanDerWaalsContact CB-OD2 3.28Å; S132-D172 WeakPolarHBondContact CB-OD2 3.18Å; S132-D172 PolarHBondContact N-OD2 2.84Å; S132-D172 PolarHBondContact OG-OD2 3.19Å; L135-D172 HydrophobicContact CD2-CB 3.67Å; H156-D172 HydrophobicContact CB-CB 4.16Å; H156-D172 PolarHBondContact O-N 3.49Å
173L83.5Confident70.3Confident1 Ų159.6 Ų59.61%0.00536%0.356CS..PPolyproline II helixtrans-77.4131-178-54.8-168.3000109.2M118 L123 V124 K131 A171 G175 F190 H193 V194M118-L173 HydrophobicContact SD-CD2 4.09Å; L123-L173 WeakPolarHBondContact O-CB 3.4Å; L123-L173 PolarHBondContact O-N 3.41Å; V124-L173 HydrophobicContact CG2-CD1 3.8Å; K131-L173 PolarHBondContact NZ-O 2.94Å; A171-L173 HydrophobicContact CB-CD2 3.83Å; A171-L173 PolarHBondContact O-N 3.2Å; L173-G175 PolarHBondContact O-N 2.83Å; L173-F190 HydrophobicContact CB-CD2 4.25Å; L173-F190 HydrophobicContact CB-CE2 3.84Å; L173-F190 HydrophobicContact CD1-CE2 4.14Å; L173-H193 HydrophobicContact CD2-CB 3.82Å; L173-V194 HydrophobicContact CD1-CB 4.37Å; L173-V194 HydrophobicContact CD1-CG2 3.5Å; L173-V194 VanDerWaalsContact CD1-CG2 3.5Å
174P73.6Confident68.7Low38 Ų3864.2 Ų64.225%0.24735%0.352CS..PPolyproline II helixtrans-57.6136.917722.7-30.7000110.1T153 I176 F190T153-P174 WeakPolarHBondContact OG1-CG 3.28Å; P174-I176 PolarHBondContact O-N 3.29Å; P174-F190 VanDerWaalsContact O-CD2 3.25Å; P174-F190 WeakPolarHBondContact O-CD2 3.43Å
175G67Low66.9Low50 Ų5062 Ų6252%0.51535%0.351SS..PPolyproline II helixtrans-67.5130.8-173.500000112.3L173L173-G175 PolarHBondContact O-N 2.83Å
176I60Low65.5Low12 Ų1263.1 Ų63.16%0.06234%0.343CS..PPolyproline II helixtrans-66.9124.4162.655-161.4000108.6P174 A178 F190 E222P174-I176 PolarHBondContact O-N 3.29Å; I176-A178 PolarHBondContact O-N 3.38Å; I176-F190 HydrophobicContact CD1-CD1 4.23Å; I176-F190 HydrophobicContact CD1-CE1 3.72Å; I176-F190 HydrophobicContact CD1-CZ 3.96Å; I176-F190 HydrophobicContact CG2-CB 3.48Å; I176-F190 VanDerWaalsContact CG2-CB 3.48Å; I176-F190 HydrophobicContact CG2-CD1 3.24Å; I176-F190 HydrophobicContact CG2-CD2 3.68Å; I176-F190 HydrophobicContact CG2-CE1 3.77Å; I176-F190 HydrophobicContact CG2-CE2 4.16Å; I176-F190 HydrophobicContact CG2-CG 3.17Å; I176-F190 HydrophobicContact CG2-CZ 4.2Å; I176-E222 VanDerWaalsContact CB-OE1 3.22Å; I176-E222 WeakPolarHBondContact CB-OE1 3.42Å; I176-E222 HydrophobicContact CD1-CB 4.17Å; I176-E222 HydrophobicContact CD1-CG 3.61Å; I176-E222 WeakPolarHBondContact CD1-OE1 3.28Å; I176-E222 WeakPolarHBondContact CD1-OE2 3.25Å; I176-E222 HydrophobicContact CG1-CG 4.35Å; I176-E222 VanDerWaalsContact CG1-OE1 3.23Å; I176-E222 WeakPolarHBondContact CG1-OE1 3.42Å; I176-E222 VanDerWaalsContact CG1-OE2 3.29Å; I176-E222 WeakPolarHBondContact CG1-OE2 3.08Å
177L51.2Low64.6Low95 Ų9558.4 Ų58.450%0.49732%0.323SS..PPolyproline II helixtrans-63.5132.5173.4-70.1160.3000108.2G179 A180 L186L177-G179 PolarHBondContact O-N 3.13Å; L177-A180 VanDerWaalsContact O-CB 3.22Å; L177-A180 WeakPolarHBondContact O-CB 3.39Å; L177-A180 PolarHBondContact O-N 2.87Å; L177-L186 HydrophobicContact CD1-CD1 3.75Å
178A46.6Very low63.6Low85 Ų8558.3 Ų58.370%0.70233%0.326SS*.THydrogen-bonded Turntrans-54.6114.8167.100000108.6I176I176-A178 PolarHBondContact O-N 3.38Å
179G48.7Very low62.6Low34 Ų3459.8 Ų59.835%0.35133%0.332SS..THydrogen-bonded Turntrans101.77.6-172.400000115.7L177 H181 R182L177-G179 PolarHBondContact O-N 3.13Å; G179-H181 PolarHBondContact O-N 3.33Å; G179-H181 VanDerWaalsContact O-N 3.09Å; G179-R182 PolarHBondContact O-N 3.4Å
180A45.7Very low61.9Low2 Ų259.2 Ų59.22%0.01733%0.326CS..G310 helixtrans-61.2-14.2176.200000114.2L177 R182 N183 Y226L177-A180 VanDerWaalsContact O-CB 3.22Å; L177-A180 WeakPolarHBondContact O-CB 3.39Å; L177-A180 PolarHBondContact O-N 2.87Å; A180-R182 PolarHBondContact O-N 3.22Å; A180-R182 VanDerWaalsContact O-N 3.08Å; A180-N183 CarbonylContact O-C 3.47Å; A180-N183 PolarHBondContact O-N 3.39Å; A180-Y226 PolarHBondContact O-OH 3.29Å
181H49Very low60.9Low124 Ų12459.9 Ų59.957%0.57433%0.329SS*.G310 helixtrans-52.9-27.4166.968.7-90.8000112.2G179 Y226G179-H181 PolarHBondContact O-N 3.33Å; G179-H181 VanDerWaalsContact O-N 3.09Å; H181-Y226 PolarHBondContact N-OH 2.68Å
182R47Very low60.1Low194 Ų19463.3 Ų63.373%0.73234%0.342SS*.G310 helixtrans-83.9-22.7176.3-57.6-167.9177.1-174.5-3.9114.1G179 A180G179-R182 PolarHBondContact O-N 3.4Å; A180-R182 PolarHBondContact O-N 3.22Å; A180-R182 VanDerWaalsContact O-N 3.08Å
183N44.9Very low59.6Low96 Ų9663 Ų6351%0.51334%0.34SS..  trans-11380.9-175.1-73.5-26.3000110.3A180 G185 L186A180-N183 CarbonylContact O-C 3.47Å; A180-N183 PolarHBondContact O-N 3.39Å; N183-G185 PolarHBondContact O-N 2.67Å; N183-L186 PolarHBondContact O-N 3.42Å
184Y49Very low59.5Low209 Ų20962.9 Ų62.982%0.8234%0.34SS*.Hα-helixtrans-48.7-15.7-176.6-73-88.3000116.4
185G48.5Very low59.7Low48 Ų4866.4 Ų66.450%0.49535%0.351SS..Hα-helixtrans-83.4-34.4-179.400000116.1N183 Q189N183-G185 PolarHBondContact O-N 2.67Å; G185-Q189 VanDerWaalsContact O-CD 3.27Å; G185-Q189 PolarHBondContact O-NE2 3.15Å
186L49.4Very low60.3Low81 Ų8166.1 Ų66.142%0.42434%0.335SS..Hα-helixtrans-89.5-31.6-173.9-70.7170.3000112.7L177 N183 Q189 F190L177-L186 HydrophobicContact CD1-CD1 3.75Å; N183-L186 PolarHBondContact O-N 3.42Å; L186-Q189 PolarHBondContact O-N 2.87Å; L186-F190 PolarHBondContact O-N 2.65Å
187G62.5Low61.4Low1 Ų165.6 Ų65.61%0.0133%0.332CS..Hα-helixtrans-63.2-49.2179.800000112.9Q189 F190 L191G187-Q189 PolarHBondContact O-N 3.28Å; G187-F190 PolarHBondContact O-N 2.85Å; G187-L191 VanDerWaalsContact O-CG 3.29Å; G187-L191 WeakPolarHBondContact O-CG 3.4Å; G187-L191 PolarHBondContact O-N 3.47Å; G187-L191 VanDerWaalsContact O-N 3.13Å
188L63.5Low62.9Low114 Ų11461.7 Ų61.760%0.59731%0.312SS*.Hα-helixtrans-60.8-35.1-178-17067.7000112.7R192L188-R192 WeakPolarHBondContact O-CG 3.39Å; L188-R192 PolarHBondContact O-N 2.55Å; L188-R192 VanDerWaalsContact O-N 3.13Å
189Q64.8Low64.9Low43 Ų4357.7 Ų57.720%0.20128%0.279CS..Hα-helixtrans-67.8-49.7179-67.6166.35.500110.7T152 G185 L186 G187 L191 R192 H193T152-Q189 PolarHBondContact OG1-NE2 3.18Å; T152-Q189 PolarHBondContact OG1-OE1 2.69Å; G185-Q189 VanDerWaalsContact O-CD 3.27Å; G185-Q189 PolarHBondContact O-NE2 3.15Å; L186-Q189 PolarHBondContact O-N 2.87Å; G187-Q189 PolarHBondContact O-N 3.28Å; Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 3.33Å; Q189-R192 WeakPolarHBondContact O-CB 3.14Å; Q189-R192 PolarHBondContact O-N 2.95Å; Q189-R192 VanDerWaalsContact O-N 3.15Å; Q189-H193 PolarHBondContact O-N 3.26Å; Q189-H193 PolarHBondContact O-ND1 3.42Å
190F73.2Confident66.9Low8 Ų856.1 Ų56.14%0.03526%0.263CS..Hα-helixtrans-55.6-46176.9170.6-102.6000112V124 L173 P174 I176 L186 G187 R192 H193 V194 I223V124-F190 HydrophobicContact CB-CZ 4.47Å; V124-F190 HydrophobicContact CG1-CE2 4.47Å; V124-F190 HydrophobicContact CG1-CZ 3.79Å; V124-F190 HydrophobicContact CG2-CE2 4.29Å; V124-F190 HydrophobicContact CG2-CZ 3.89Å; L173-F190 HydrophobicContact CB-CD2 4.25Å; L173-F190 HydrophobicContact CB-CE2 3.84Å; L173-F190 HydrophobicContact CD1-CE2 4.14Å; P174-F190 VanDerWaalsContact O-CD2 3.25Å; P174-F190 WeakPolarHBondContact O-CD2 3.43Å; I176-F190 HydrophobicContact CD1-CD1 4.23Å; I176-F190 HydrophobicContact CD1-CE1 3.72Å; I176-F190 HydrophobicContact CD1-CZ 3.96Å; I176-F190 HydrophobicContact CG2-CB 3.48Å; I176-F190 VanDerWaalsContact CG2-CB 3.48Å; I176-F190 HydrophobicContact CG2-CD1 3.24Å; I176-F190 HydrophobicContact CG2-CD2 3.68Å; I176-F190 HydrophobicContact CG2-CE1 3.77Å; I176-F190 HydrophobicContact CG2-CE2 4.16Å; I176-F190 HydrophobicContact CG2-CG 3.17Å; I176-F190 HydrophobicContact CG2-CZ 4.2Å; L186-F190 PolarHBondContact O-N 2.65Å; G187-F190 PolarHBondContact O-N 2.85Å; F190-R192 VanDerWaalsContact C-N 3.28Å; F190-R192 PolarHBondContact O-N 2.97Å; F190-H193 WeakPolarHBondContact O-CA 3.38Å; F190-H193 WeakPolarHBondContact O-CB 3.4Å; F190-H193 PolarHBondContact O-N 2.97Å; F190-V194 HydrophobicContact CD1-CG2 3.96Å; F190-V194 HydrophobicContact CD2-CG2 4.31Å; F190-V194 HydrophobicContact CE1-CG2 3.49Å; F190-V194 VanDerWaalsContact CE1-CG2 3.49Å; F190-V194 HydrophobicContact CE2-CG2 3.87Å; F190-V194 HydrophobicContact CG-CG2 4.36Å; F190-V194 HydrophobicContact CZ-CG2 3.43Å; F190-V194 VanDerWaalsContact CZ-CG2 3.43Å; F190-V194 PolarHBondContact O-N 3.3Å; F190-I223 HydrophobicContact CE1-CG1 4.37Å
191L71.8Confident69.3Low14 Ų1456 Ų567%0.07326%0.262CS..Hα-helixtrans-60-40.4178.2-61.9166.5000112.4G187 Q189 H193 V194 K195 Y226 L230G187-L191 VanDerWaalsContact O-CG 3.29Å; G187-L191 WeakPolarHBondContact O-CG 3.4Å; G187-L191 PolarHBondContact O-N 3.47Å; G187-L191 VanDerWaalsContact O-N 3.13Å; Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 3.33Å; L191-H193 PolarHBondContact O-N 2.94Å; L191-V194 PolarHBondContact O-N 3.45Å; L191-K195 WeakPolarHBondContact O-CB 3.37Å; L191-K195 WeakPolarHBondContact O-CG 3.18Å; L191-K195 PolarHBondContact O-N 2.93Å; L191-Y226 VanDerWaalsContact CD1-CB 3.41Å; L191-Y226 HydrophobicContact CD1-CD1 3.69Å; L191-Y226 HydrophobicContact CD1-CD2 4.4Å; L191-Y226 HydrophobicContact CD1-CG 3.6Å; L191-Y226 HydrophobicContact CD2-CD2 4.03Å; L191-Y226 HydrophobicContact CD2-CG 3.84Å; L191-Y226 HydrophobicContact CG-CD2 4.46Å; L191-Y226 HydrophobicContact CG-CG 4.09Å; L191-L230 HydrophobicContact CD2-CD1 3.67Å
192R72.3Confident71.4Confident73 Ų7350.2 Ų50.228%0.27524%0.235SC..Hα-helixtrans-62.9-26.2173.9-79.4-17750.2-120.1-39.8112.3F150 L188 Q189 F190 R196F150-R192 PolarHBondContact O-NH1 3.19Å; F150-R192 PolarHBondContact O-NH2 3.04Å; L188-R192 WeakPolarHBondContact O-CG 3.39Å; L188-R192 PolarHBondContact O-N 2.55Å; L188-R192 VanDerWaalsContact O-N 3.13Å; Q189-R192 WeakPolarHBondContact O-CB 3.14Å; Q189-R192 PolarHBondContact O-N 2.95Å; Q189-R192 VanDerWaalsContact O-N 3.15Å; F190-R192 VanDerWaalsContact C-N 3.28Å; F190-R192 PolarHBondContact O-N 2.97Å; R192-R196 WeakPolarHBondContact O-CD 3.46Å; R192-R196 WeakPolarHBondContact O-CG 3.4Å
193H78.7Confident73.6Confident0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-78.6-41.5172-60.979.5000112.1M118 T151 L173 Q189 F190 L191 R196 C197M118-H193 VanDerWaalsContact CE-CA 3.48Å; M118-H193 HydrophobicContact CE-CB 3.67Å; M118-H193 WeakPolarHBondContact CE-CD2 3.3Å; M118-H193 HydrophobicContact SD-CB 3.75Å; T151-H193 WeakPolarHBondContact CB-NE2 3.47Å; T151-H193 WeakPolarHBondContact CG2-NE2 2.98Å; L173-H193 HydrophobicContact CD2-CB 3.82Å; Q189-H193 PolarHBondContact O-N 3.26Å; Q189-H193 PolarHBondContact O-ND1 3.42Å; F190-H193 WeakPolarHBondContact O-CA 3.38Å; F190-H193 WeakPolarHBondContact O-CB 3.4Å; F190-H193 PolarHBondContact O-N 2.97Å; L191-H193 PolarHBondContact O-N 2.94Å; H193-R196 PolarHBondContact O-N 3.19Å; H193-R196 VanDerWaalsContact O-N 3.12Å; H193-C197 PolarHBondContact O-N 3.19Å; H193-C197 PolarHBondContact O-SG 2.84Å; H193-C197 VanDerWaalsContact O-SG 3.33Å
194V81.5Confident76Confident0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-59.3-47.9176.3172.10000111.4V124 L173 F190 L191 R196 C197 L200 L230V124-V194 HydrophobicContact CG2-CG2 4.39Å; L173-V194 HydrophobicContact CD1-CB 4.37Å; L173-V194 HydrophobicContact CD1-CG2 3.5Å; L173-V194 VanDerWaalsContact CD1-CG2 3.5Å; F190-V194 HydrophobicContact CD1-CG2 3.96Å; F190-V194 HydrophobicContact CD2-CG2 4.31Å; F190-V194 HydrophobicContact CE1-CG2 3.49Å; F190-V194 VanDerWaalsContact CE1-CG2 3.49Å; F190-V194 HydrophobicContact CE2-CG2 3.87Å; F190-V194 HydrophobicContact CG-CG2 4.36Å; F190-V194 HydrophobicContact CZ-CG2 3.43Å; F190-V194 VanDerWaalsContact CZ-CG2 3.43Å; F190-V194 PolarHBondContact O-N 3.3Å; L191-V194 PolarHBondContact O-N 3.45Å; V194-R196 PolarHBondContact O-N 2.96Å; V194-R196 VanDerWaalsContact O-N 3.11Å; V194-C197 WeakPolarHBondContact O-CB 3.38Å; V194-C197 PolarHBondContact O-N 3.42Å; V194-L200 HydrophobicContact CB-CD2 4.48Å; V194-L200 HydrophobicContact CG1-CD1 3.76Å; V194-L200 HydrophobicContact CG1-CD2 3.71Å; V194-L200 HydrophobicContact CG1-CG 4.34Å; V194-L230 HydrophobicContact CB-CD1 4.3Å; V194-L230 HydrophobicContact CG1-CB 4.31Å; V194-L230 HydrophobicContact CG1-CD1 3.74Å; V194-L230 HydrophobicContact CG1-CD2 3.75Å; V194-L230 HydrophobicContact CG1-CG 4.14Å
195K78.8Confident78.1Confident111 Ų11127.1 Ų27.148%0.48314%0.14SC..THydrogen-bonded Turntrans-58.6-24.9175.5-75.8-170.8177.9-164.60114.1L191 C197 D227 L230L191-K195 WeakPolarHBondContact O-CB 3.37Å; L191-K195 WeakPolarHBondContact O-CG 3.18Å; L191-K195 PolarHBondContact O-N 2.93Å; K195-C197 VanDerWaalsContact C-N 3.32Å; K195-D227 WeakPolarHBondContact CE-OD2 3.31Å; K195-D227 IonicContact NZ-OD2 3.03Å; K195-D227 PolarHBondContact NZ-OD2 3.3Å; K195-L230 HydrophobicContact CB-CD2 4.39Å; K195-L230 HydrophobicContact CG-CD2 3.49Å; K195-L230 VanDerWaalsContact CG-CD2 3.49Å; K195-L230 HydrophobicContact CG-CG 4.43Å
196R79.6Confident80.2Confident44 Ų4424.8 Ų24.817%0.16612%0.116CC..THydrogen-bonded Turntrans-93.34.1-179.4-65.5179.3174.1176.5-2.5112.1R116 L117 M118 I149 R192 H193 V194R116-R196 WeakPolarHBondContact O-CB 3.44Å; R116-R196 WeakPolarHBondContact O-CD 3.46Å; R116-R196 WeakPolarHBondContact O-CG 3.43Å; L117-R196 WeakPolarHBondContact CA-O 3.45Å; L117-R196 WeakPolarHBondContact CD2-O 3.37Å; M118-R196 HydrophobicContact CB-CB 4.13Å; M118-R196 HydrophobicContact CE-CB 3.76Å; M118-R196 HydrophobicContact CE-CG 4.33Å; M118-R196 HydrophobicContact CG-CB 3.73Å; M118-R196 WeakPolarHBondContact CG-O 3.4Å; M118-R196 PolarHBondContact N-O 2.85Å; M118-R196 HydrophobicContact SD-CB 4.27Å; I149-R196 PolarHBondContact O-NH1 2.81Å; I149-R196 PolarHBondContact O-NH2 2.92Å; I149-R196 VanDerWaalsContact O-NH2 3.12Å; R192-R196 WeakPolarHBondContact O-CD 3.46Å; R192-R196 WeakPolarHBondContact O-CG 3.4Å; H193-R196 PolarHBondContact O-N 3.19Å; H193-R196 VanDerWaalsContact O-N 3.12Å; V194-R196 PolarHBondContact O-N 2.96Å; V194-R196 VanDerWaalsContact O-N 3.11Å
197C83.7Confident82.2Confident1 Ų123.4 Ų23.41%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-103.3143169.5-61.60000109.3A119 G122 H193 V194 K195 L200 Q233A119-C197 WeakPolarHBondContact O-CA 2.91Å; G122-C197 VanDerWaalsContact CA-SG 3.59Å; H193-C197 PolarHBondContact O-N 3.19Å; H193-C197 PolarHBondContact O-SG 2.84Å; H193-C197 VanDerWaalsContact O-SG 3.33Å; V194-C197 WeakPolarHBondContact O-CB 3.38Å; V194-C197 PolarHBondContact O-N 3.42Å; K195-C197 VanDerWaalsContact C-N 3.32Å; C197-L200 HydrophobicContact CB-CD2 4.32Å; C197-Q233 PolarHBondContact O-NE2 3.48Å
198V82.7Confident83.4Confident14 Ų1425 Ų259%0.08513%0.125CC..EExtended strand (participates in β ladder)trans-78.1-41179.6-174.70000110.7L117 H120 L286L117-V198 HydrophobicContact CD1-CG2 3.81Å; L117-V198 HydrophobicContact CD2-CG2 3.94Å; H120-V198 VanDerWaalsContact O-CB 3.28Å; H120-V198 WeakPolarHBondContact O-CB 3.48Å; H120-V198 PolarHBondContact O-N 3.1Å; H120-V198 VanDerWaalsContact O-N 3.15Å; V198-L286 HydrophobicContact CB-CD2 4.1Å; V198-L286 HydrophobicContact CG1-CD2 4.09Å
199C88.4Confident84.5Confident0 Ų031.5 Ų31.50%014%0.141CC..EExtended strand (participates in β ladder)trans-130160.6175.4720000112.2H120 A121 G122 P234 L285 L286H120-C199 PolarHBondContact O-N 3.27Å; H120-C199 PolarHBondContact O-SG 3.37Å; A121-C199 CarbonylContact C-O 3.59Å; A121-C199 VanDerWaalsContact CA-O 3.3Å; A121-C199 WeakPolarHBondContact CA-O 3.4Å; A121-C199 WeakPolarHBondContact CB-SG 3.33Å; G122-C199 PolarHBondContact N-O 2.96Å; C199-P234 CarbonylContact C-O 3.51Å; C199-P234 WeakPolarHBondContact CA-O 3.11Å; C199-P234 HydrophobicContact CB-CB 4.06Å; C199-P234 WeakPolarHBondContact CB-O 3.47Å; C199-L285 HydrophobicContact CB-CD2 3.88Å; C199-L286 HydrophobicContact CB-CD2 4.24Å
200L90.9Very high85.6Confident2 Ų232.7 Ų32.71%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-114.3134.7180-58.3178.6000112.2V124 V194 C197 F202 I223 Q233 P234 R235 L236V124-L200 HydrophobicContact CG2-CD2 4.37Å; V194-L200 HydrophobicContact CB-CD2 4.48Å; V194-L200 HydrophobicContact CG1-CD1 3.76Å; V194-L200 HydrophobicContact CG1-CD2 3.71Å; V194-L200 HydrophobicContact CG1-CG 4.34Å; C197-L200 HydrophobicContact CB-CD2 4.32Å; L200-F202 HydrophobicContact CB-CD2 4.46Å; L200-F202 HydrophobicContact CB-CE2 4.01Å; L200-F202 HydrophobicContact CD1-CE2 4.5Å; L200-F202 HydrophobicContact CD1-CZ 4.46Å; L200-I223 HydrophobicContact CD1-CD1 4.4Å; L200-Q233 VanDerWaalsContact CG-OE1 3.31Å; L200-P234 PolarHBondContact N-O 2.99Å; L200-R235 HydrophobicContact CB-CB 4.49Å; L200-R235 CarbonylContact O-C 3.56Å; L200-R235 WeakPolarHBondContact O-CA 3.43Å; L200-L236 PolarHBondContact O-N 2.77Å
201L94.2Very high86.5Confident0 Ų034.9 Ų34.90%016%0.162CC..EExtended strand (participates in β ladder)trans-111.3100.9177.5-61.9-175.7000108.5A121 G122 L123 V124 V170 V203 L236 I238 L282A121-L201 HydrophobicContact CB-CD1 3.91Å; A121-L201 HydrophobicContact CB-CG 4.07Å; G122-L201 PolarHBondContact O-N 3.11Å; L123-L201 WeakPolarHBondContact CA-O 3.35Å; L123-L201 HydrophobicContact CD2-CB 3.71Å; L123-L201 HydrophobicContact CD2-CD1 3.78Å; L123-L201 HydrophobicContact CD2-CG 4.39Å; L123-L201 HydrophobicContact CG-CB 4.49Å; L123-L201 HydrophobicContact CG-CD1 4.45Å; V124-L201 PolarHBondContact N-O 3.12Å; V170-L201 HydrophobicContact CG1-CD1 4.34Å; L201-V203 PolarHBondContact O-N 3.04Å; L201-L236 CarbonylContact C-O 3.49Å; L201-L236 WeakPolarHBondContact CA-O 3.37Å; L201-L236 HydrophobicContact CD2-CB 3.72Å; L201-L236 HydrophobicContact CD2-CD2 4.25Å; L201-L236 HydrophobicContact CD2-CG 4.43Å; L201-I238 HydrophobicContact CB-CD1 3.95Å; L201-I238 HydrophobicContact CD1-CD1 4.39Å; L201-I238 HydrophobicContact CD2-CD1 4.44Å; L201-I238 HydrophobicContact CG-CD1 4.49Å; L201-L282 HydrophobicContact CD1-CD1 4.4Å; L201-L282 HydrophobicContact CD1-CD2 4.1Å; L201-L282 HydrophobicContact CD2-CD1 4.07Å
202F93.9Very high87.4Confident1 Ų134.4 Ų34.40%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-79.5107.4178.4-73-89.5000109.8V124 L200 F216 L219 I223 R235 L236 V237 I238V124-F202 HydrophobicContact CG1-CD1 4.43Å; V124-F202 HydrophobicContact CG1-CE1 4.38Å; V124-F202 CarbonylContact O-C 3.6Å; V124-F202 WeakPolarHBondContact O-CA 3.29Å; L200-F202 HydrophobicContact CB-CD2 4.46Å; L200-F202 HydrophobicContact CB-CE2 4.01Å; L200-F202 HydrophobicContact CD1-CE2 4.5Å; L200-F202 HydrophobicContact CD1-CZ 4.46Å; F202-F216 HydrophobicContact CB-CD2 4.19Å; F202-F216 HydrophobicContact CB-CE2 3.98Å; F202-F216 HydrophobicContact CD1-CD2 4.18Å; F202-F216 AromaticContact CD1-CE2 3.95Å; F202-F216 HydrophobicContact CD1-CE2 3.95Å; F202-F216 AromaticContact CD2-CE2 3.96Å; F202-F216 HydrophobicContact CD2-CE2 3.96Å; F202-F216 HydrophobicContact CE1-CE2 4.42Å; F202-F216 HydrophobicContact CE2-CE2 4.43Å; F202-F216 HydrophobicContact CG-CD2 4.18Å; F202-F216 AromaticContact CG-CE2 3.69Å; F202-F216 HydrophobicContact CG-CE2 3.69Å; F202-L219 HydrophobicContact CD1-CB 4Å; F202-L219 HydrophobicContact CD1-CD1 4.15Å; F202-L219 HydrophobicContact CE1-CB 4.02Å; F202-I223 HydrophobicContact CE1-CD1 3.55Å; F202-I223 HydrophobicContact CZ-CD1 3.55Å; F202-R235 HydrophobicContact CD2-CB 4.19Å; F202-R235 HydrophobicContact CE2-CB 3.96Å; F202-L236 PolarHBondContact N-O 3.33Å; F202-V237 HydrophobicContact CB-CG1 4.49Å; F202-I238 PolarHBondContact O-N 2.82Å
203V94.1Very high88.3Confident0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-93114.5176.8-170.30000109.2L123 V124 G125 A129 K131 L134 L201 I238 N240L123-V203 HydrophobicContact CB-CG2 4.36Å; L123-V203 HydrophobicContact CD2-CG2 3.64Å; V124-V203 PolarHBondContact O-N 2.82Å; G125-V203 WeakPolarHBondContact CA-O 3.36Å; A129-V203 HydrophobicContact CB-CB 4.45Å; A129-V203 HydrophobicContact CB-CG1 4.09Å; A129-V203 WeakPolarHBondContact CB-O 3.3Å; A129-V203 WeakPolarHBondContact O-CG1 3.35Å; K131-V203 HydrophobicContact CG-CB 4.01Å; K131-V203 HydrophobicContact CG-CG1 4.39Å; K131-V203 HydrophobicContact CG-CG2 4.07Å; L134-V203 HydrophobicContact CD2-CG2 4.04Å; L201-V203 PolarHBondContact O-N 3.04Å; V203-I238 HydrophobicContact CG2-CD1 4.35Å; V203-N240 HydrophobicContact CG1-CB 3.85Å
204I93.8Very high88.9Confident1 Ų137 Ų371%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-111.7139179.9-50.2168000108.9A206 L212 Q215 F216 V237 I238 N240 L254I204-A206 PolarHBondContact O-N 3.16Å; I204-L212 HydrophobicContact CB-CD2 4.18Å; I204-L212 HydrophobicContact CG2-CB 4.39Å; I204-L212 HydrophobicContact CG2-CD2 3.39Å; I204-Q215 HydrophobicContact CG2-CB 3.59Å; I204-Q215 HydrophobicContact CG2-CG 4.21Å; I204-Q215 VanDerWaalsContact CG2-OE1 3.32Å; I204-F216 HydrophobicContact CD1-CB 3.62Å; I204-F216 HydrophobicContact CD1-CD2 4.05Å; I204-F216 HydrophobicContact CD1-CG 4.04Å; I204-V237 HydrophobicContact CD1-CG1 3.39Å; I204-V237 HydrophobicContact CG1-CG1 4.27Å; I204-I238 PolarHBondContact N-O 3.11Å; I204-N240 PolarHBondContact O-N 3.39Å; I204-L254 HydrophobicContact CD1-CD2 3.83Å
205D93.5Very high89.3Confident13 Ų1337.1 Ų37.17%0.0718%0.179CC..EExtended strand (participates in β ladder)trans-87.4110.1-178.5-167-14.2000111.2A129 S207 S208 Q215 K241A129-D205 HydrophobicContact CB-CB 4.44Å; D205-S207 VanDerWaalsContact C-N 3.28Å; D205-S207 VanDerWaalsContact CG-OG 3.29Å; D205-S207 PolarHBondContact O-N 2.92Å; D205-S207 WeakPolarHBondContact OD1-CA 3.43Å; D205-S207 WeakPolarHBondContact OD1-CB 3.48Å; D205-S207 PolarHBondContact OD1-N 3.28Å; D205-S207 PolarHBondContact OD1-OG 3.12Å; D205-S207 PolarHBondContact OD2-OG 3.35Å; D205-S208 PolarHBondContact O-N 3.29Å; D205-S208 PolarHBondContact OD1-N 3.39Å; D205-Q215 PolarHBondContact O-NE2 3.47Å; D205-K241 WeakPolarHBondContact OD1-CD 3.23Å; D205-K241 IonicContact OD1-NZ 2.99Å; D205-K241 PolarHBondContact OD1-NZ 2.86Å; D205-K241 IonicContact OD2-NZ 3.82Å; D205-K241 PolarHBondContact OD2-NZ 3.12Å
206A92.9Very high89.9Confident0 Ų032 Ų320%016%0.157CC..THydrogen-bonded Turntrans-66.9-28.117300000112.9I204 S208 L212 N240 I244 R250I204-A206 PolarHBondContact O-N 3.16Å; A206-S208 VanDerWaalsContact C-N 3.31Å; A206-S208 PolarHBondContact O-N 2.89Å; A206-L212 HydrophobicContact CB-CD2 4.41Å; A206-N240 WeakPolarHBondContact CB-O 3.4Å; A206-N240 PolarHBondContact N-O 3.21Å; A206-I244 HydrophobicContact CB-CD1 4.15Å; A206-I244 WeakPolarHBondContact O-CD1 3.33Å; A206-R250 PolarHBondContact O-NH1 2.82Å
207S91.3Very high90.4Very high52 Ų5233.6 Ų33.636%0.36417%0.169SC..THydrogen-bonded Turntrans-76.6-15.7179.776.30000114.1D205 K241 I244D205-S207 VanDerWaalsContact C-N 3.28Å; D205-S207 VanDerWaalsContact CG-OG 3.29Å; D205-S207 PolarHBondContact O-N 2.92Å; D205-S207 WeakPolarHBondContact OD1-CA 3.43Å; D205-S207 WeakPolarHBondContact OD1-CB 3.48Å; D205-S207 PolarHBondContact OD1-N 3.28Å; D205-S207 PolarHBondContact OD1-OG 3.12Å; D205-S207 PolarHBondContact OD2-OG 3.35Å; S207-K241 WeakPolarHBondContact OG-CD 3.11Å; S207-K241 PolarHBondContact OG-NZ 2.89Å; S207-I244 VanDerWaalsContact CA-CD1 3.5Å
208S88.6Confident90.6Very high35 Ų3536 Ų3625%0.24519%0.185CC..SBendtrans-64.5147.4179.3177.50000111.3D205 A206 Q210 R250D205-S208 PolarHBondContact O-N 3.29Å; D205-S208 PolarHBondContact OD1-N 3.39Å; A206-S208 VanDerWaalsContact C-N 3.31Å; A206-S208 PolarHBondContact O-N 2.89Å; S208-Q210 PolarHBondContact O-N 3.15Å; S208-Q210 PolarHBondContact OG-N 3.37Å; S208-R250 VanDerWaalsContact O-CZ 3.23Å; S208-R250 PolarHBondContact O-NH1 3.47Å; S208-R250 PolarHBondContact O-NH2 3.18Å
209R86.7Confident90.8Very high249 Ų24935.4 Ų35.494%0.9418%0.181SC*.SBendtrans-65.2-24.8171.2-74.3-175.6144.187.82.4112.6
210Q87.8Confident90.7Very high69 Ų6937.3 Ų37.332%0.32219%0.189SC..SBendtrans-73.5136.7-178.9-170.3177.61100111.1S208 L212 E214 Q215 R250S208-Q210 PolarHBondContact O-N 3.15Å; S208-Q210 PolarHBondContact OG-N 3.37Å; Q210-L212 PolarHBondContact O-N 2.99Å; Q210-E214 HydrophobicContact CG-CB 4.13Å; Q210-E214 PolarHBondContact NE2-OE2 3.38Å; Q210-Q215 HydrophobicContact CB-CG 4.05Å; Q210-Q215 HydrophobicContact CG-CG 3.97Å; Q210-Q215 PolarHBondContact O-NE2 3.36Å; Q210-R250 PolarHBondContact O-NH2 2.93Å
211P90.6Very high90.5Very high53 Ų5340.7 Ų40.734%0.34421%0.205SC..  trans-52.3139.5173.5-27.335.9000112.7A213 E214 Q215P211-A213 VanDerWaalsContact C-N 3.29Å; P211-A213 PolarHBondContact O-N 3.45Å; P211-E214 HydrophobicContact CB-CB 4.41Å; P211-E214 HydrophobicContact CB-CG 4.14Å; P211-E214 HydrophobicContact CG-CG 4.39Å; P211-E214 PolarHBondContact O-N 3.44Å; P211-Q215 PolarHBondContact O-N 3.3Å; P211-Q215 VanDerWaalsContact O-N 3.16Å
212L92.1Very high89.9Confident5 Ų541.7 Ų41.73%0.02621%0.21CC..Hα-helixtrans-59.7-39.9-177-74175.7000112.3I204 A206 Q210 E214 Q215 F216 R250 V251 L254I204-L212 HydrophobicContact CB-CD2 4.18Å; I204-L212 HydrophobicContact CG2-CB 4.39Å; I204-L212 HydrophobicContact CG2-CD2 3.39Å; A206-L212 HydrophobicContact CB-CD2 4.41Å; Q210-L212 PolarHBondContact O-N 2.99Å; L212-E214 VanDerWaalsContact C-N 3.34Å; L212-E214 PolarHBondContact O-N 3Å; L212-Q215 PolarHBondContact O-N 3.45Å; L212-F216 PolarHBondContact O-N 2.93Å; L212-R250 HydrophobicContact CD1-CB 3.8Å; L212-R250 WeakPolarHBondContact CD1-O 3.47Å; L212-R250 HydrophobicContact CG-CB 4.5Å; L212-V251 HydrophobicContact CD1-CG2 4.42Å; L212-L254 HydrophobicContact CB-CB 4.04Å; L212-L254 HydrophobicContact CB-CD1 4.26Å; L212-L254 HydrophobicContact CB-CD2 4.1Å; L212-L254 HydrophobicContact CB-CG 4.35Å; L212-L254 HydrophobicContact CD1-CB 4.15Å; L212-L254 HydrophobicContact CD1-CD2 4.39Å
213A91.3Very high89.3Confident23 Ų2341.7 Ų41.719%0.1921%0.21CC..Hα-helixtrans-64.6-37.8179.500000112.2P211 F216 N217 L254 T257P211-A213 VanDerWaalsContact C-N 3.29Å; P211-A213 PolarHBondContact O-N 3.45Å; A213-F216 PolarHBondContact O-N 3.15Å; A213-N217 WeakPolarHBondContact O-CB 3.32Å; A213-N217 VanDerWaalsContact O-CG 3.23Å; A213-N217 PolarHBondContact O-N 2.82Å; A213-N217 PolarHBondContact O-ND2 3.43Å; A213-L254 HydrophobicContact CB-CD1 4.13Å; A213-T257 HydrophobicContact CB-CG2 4.39Å
214E90.6Very high88.8Confident104 Ų10447.7 Ų47.749%0.48623%0.232SC..Hα-helixtrans-68.6-41.6176.3-69.5179.7-161.800111.9Q210 P211 L212 F216 N217 C218Q210-E214 HydrophobicContact CG-CB 4.13Å; Q210-E214 PolarHBondContact NE2-OE2 3.38Å; P211-E214 HydrophobicContact CB-CB 4.41Å; P211-E214 HydrophobicContact CB-CG 4.14Å; P211-E214 HydrophobicContact CG-CG 4.39Å; P211-E214 PolarHBondContact O-N 3.44Å; L212-E214 VanDerWaalsContact C-N 3.34Å; L212-E214 PolarHBondContact O-N 3Å; E214-F216 VanDerWaalsContact C-N 3.3Å; E214-F216 PolarHBondContact O-N 2.86Å; E214-N217 PolarHBondContact O-N 2.84Å; E214-C218 WeakPolarHBondContact O-CB 3.33Å; E214-C218 PolarHBondContact O-N 2.62Å
215Q90.3Very high88.1Confident2 Ų255.7 Ų55.71%0.00927%0.268CS..Hα-helixtrans-58.7-45.3174.2-67.3-179.256.500110.8L126 I204 D205 Q210 P211 L212 C218 L219L126-Q215 HydrophobicContact CD1-CB 4.01Å; L126-Q215 HydrophobicContact CD1-CG 3.84Å; I204-Q215 HydrophobicContact CG2-CB 3.59Å; I204-Q215 HydrophobicContact CG2-CG 4.21Å; I204-Q215 VanDerWaalsContact CG2-OE1 3.32Å; D205-Q215 PolarHBondContact O-NE2 3.47Å; Q210-Q215 HydrophobicContact CB-CG 4.05Å; Q210-Q215 HydrophobicContact CG-CG 3.97Å; Q210-Q215 PolarHBondContact O-NE2 3.36Å; P211-Q215 PolarHBondContact O-N 3.3Å; P211-Q215 VanDerWaalsContact O-N 3.16Å; L212-Q215 PolarHBondContact O-N 3.45Å; Q215-C218 WeakPolarHBondContact O-CB 3.36Å; Q215-C218 PolarHBondContact O-N 3.22Å; Q215-L219 WeakPolarHBondContact O-CG 3.21Å; Q215-L219 PolarHBondContact O-N 2.84Å; Q215-L219 VanDerWaalsContact O-N 3.13Å
216F91.3Very high87Confident3 Ų358.7 Ų58.71%0.01328%0.279CS..Hα-helixtrans-63.7-47.1177.9-174.5-134.2000112.6F202 I204 L212 A213 E214 C218 L219 K220 V237 L258F202-F216 HydrophobicContact CB-CD2 4.19Å; F202-F216 HydrophobicContact CB-CE2 3.98Å; F202-F216 HydrophobicContact CD1-CD2 4.18Å; F202-F216 AromaticContact CD1-CE2 3.95Å; F202-F216 HydrophobicContact CD1-CE2 3.95Å; F202-F216 AromaticContact CD2-CE2 3.96Å; F202-F216 HydrophobicContact CD2-CE2 3.96Å; F202-F216 HydrophobicContact CE1-CE2 4.42Å; F202-F216 HydrophobicContact CE2-CE2 4.43Å; F202-F216 HydrophobicContact CG-CD2 4.18Å; F202-F216 AromaticContact CG-CE2 3.69Å; F202-F216 HydrophobicContact CG-CE2 3.69Å; I204-F216 HydrophobicContact CD1-CB 3.62Å; I204-F216 HydrophobicContact CD1-CD2 4.05Å; I204-F216 HydrophobicContact CD1-CG 4.04Å; L212-F216 PolarHBondContact O-N 2.93Å; A213-F216 PolarHBondContact O-N 3.15Å; E214-F216 VanDerWaalsContact C-N 3.3Å; E214-F216 PolarHBondContact O-N 2.86Å; F216-C218 VanDerWaalsContact C-N 3.31Å; F216-C218 PolarHBondContact O-N 2.92Å; F216-L219 PolarHBondContact O-N 3.27Å; F216-K220 HydrophobicContact CD1-CD 4.19Å; F216-K220 HydrophobicContact CD2-CG 4.33Å; F216-K220 HydrophobicContact CE1-CD 3.65Å; F216-K220 VanDerWaalsContact CE1-CE 3.43Å; F216-K220 HydrophobicContact CE1-CG 4.39Å; F216-K220 HydrophobicContact CE2-CD 4.06Å; F216-K220 HydrophobicContact CE2-CG 3.94Å; F216-K220 HydrophobicContact CZ-CD 3.57Å; F216-K220 HydrophobicContact CZ-CG 3.99Å; F216-K220 PolarHBondContact O-N 2.7Å; F216-V237 HydrophobicContact CD2-CG1 4.41Å; F216-V237 HydrophobicContact CD2-CG2 4.42Å; F216-V237 HydrophobicContact CE1-CG2 4.29Å; F216-V237 HydrophobicContact CE2-CG1 4.48Å; F216-V237 HydrophobicContact CE2-CG2 3.72Å; F216-V237 HydrophobicContact CZ-CG2 3.63Å; F216-L258 HydrophobicContact CD1-CD2 3.53Å; F216-L258 HydrophobicContact CE1-CD2 3.24Å; F216-L258 HydrophobicContact CZ-CD2 4.14Å
217N89.9Confident86.1Confident79 Ų7960.6 Ų60.642%0.42229%0.289SS..Hα-helixtrans-63.9-37.8178.8-72.5-24.1000111.6A213 E214 K220 E221A213-N217 WeakPolarHBondContact O-CB 3.32Å; A213-N217 VanDerWaalsContact O-CG 3.23Å; A213-N217 PolarHBondContact O-N 2.82Å; A213-N217 PolarHBondContact O-ND2 3.43Å; E214-N217 PolarHBondContact O-N 2.84Å; N217-K220 PolarHBondContact O-N 2.82Å; N217-K220 WeakPolarHBondContact OD1-CE 3.36Å; N217-K220 PolarHBondContact OD1-NZ 3.07Å; N217-E221 WeakPolarHBondContact O-CB 3.46Å; N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 3.43Å
218C86.7Confident85.4Confident52 Ų5264 Ų6435%0.35130%0.299SS..Hα-helixtrans-57.3-50173.4-175.50000111.3E214 Q215 F216 K220 E221 E222E214-C218 WeakPolarHBondContact O-CB 3.33Å; E214-C218 PolarHBondContact O-N 2.62Å; Q215-C218 WeakPolarHBondContact O-CB 3.36Å; Q215-C218 PolarHBondContact O-N 3.22Å; F216-C218 VanDerWaalsContact C-N 3.31Å; F216-C218 PolarHBondContact O-N 2.92Å; C218-K220 PolarHBondContact O-N 3.3Å; C218-E221 PolarHBondContact O-N 3.41Å; C218-E222 WeakPolarHBondContact O-CB 3.49Å; C218-E222 PolarHBondContact O-N 2.78Å
219L87Confident84.9Confident1 Ų164.9 Ų64.91%0.00531%0.305CS..Hα-helixtrans-63.4-41.4178-66.8169.3000112.5V124 L126 F202 Q215 F216 E222 I223V124-L219 HydrophobicContact CG1-CD2 4.32Å; L126-L219 HydrophobicContact CD2-CD2 4Å; L126-L219 HydrophobicContact CG-CD2 4.18Å; L126-L219 HydrophobicContact CG-CG 4.44Å; F202-L219 HydrophobicContact CD1-CB 4Å; F202-L219 HydrophobicContact CD1-CD1 4.15Å; F202-L219 HydrophobicContact CE1-CB 4.02Å; Q215-L219 WeakPolarHBondContact O-CG 3.21Å; Q215-L219 PolarHBondContact O-N 2.84Å; Q215-L219 VanDerWaalsContact O-N 3.13Å; F216-L219 PolarHBondContact O-N 3.27Å; L219-E222 PolarHBondContact O-N 3.22Å; L219-I223 WeakPolarHBondContact O-CG1 3Å; L219-I223 PolarHBondContact O-N 3.31Å; L219-I223 VanDerWaalsContact O-N 3.08Å
220K87.5Confident84.5Confident39 Ų3953.2 Ų53.217%0.1726%0.261CS..Hα-helixtrans-63.3-48.5176.9-78.4-171.9-63.9-175.60111.8F216 N217 C218 E222 I223 R224 L231F216-K220 HydrophobicContact CD1-CD 4.19Å; F216-K220 HydrophobicContact CD2-CG 4.33Å; F216-K220 HydrophobicContact CE1-CD 3.65Å; F216-K220 VanDerWaalsContact CE1-CE 3.43Å; F216-K220 HydrophobicContact CE1-CG 4.39Å; F216-K220 HydrophobicContact CE2-CD 4.06Å; F216-K220 HydrophobicContact CE2-CG 3.94Å; F216-K220 HydrophobicContact CZ-CD 3.57Å; F216-K220 HydrophobicContact CZ-CG 3.99Å; F216-K220 PolarHBondContact O-N 2.7Å; N217-K220 PolarHBondContact O-N 2.82Å; N217-K220 WeakPolarHBondContact OD1-CE 3.36Å; N217-K220 PolarHBondContact OD1-NZ 3.07Å; C218-K220 PolarHBondContact O-N 3.3Å; K220-E222 VanDerWaalsContact C-N 3.3Å; K220-E222 PolarHBondContact O-N 2.65Å; K220-I223 PolarHBondContact O-N 2.99Å; K220-R224 VanDerWaalsContact O-CB 3.26Å; K220-R224 WeakPolarHBondContact O-CB 3.48Å; K220-R224 PolarHBondContact O-N 3.46Å; K220-L231 HydrophobicContact CB-CD2 4.44Å; K220-L231 HydrophobicContact CG-CD2 4.31Å
221E86.1Confident84.2Confident73 Ų7351.7 Ų51.734%0.34126%0.255SS..Hα-helixtrans-63.5-39.5179.7-73.9-61.8127.700110.6N217 C218 I223 R224 F225N217-E221 WeakPolarHBondContact O-CB 3.46Å; N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 3.43Å; C218-E221 PolarHBondContact O-N 3.41Å; E221-I223 PolarHBondContact O-N 3.5Å; E221-R224 WeakPolarHBondContact O-CB 3.29Å; E221-R224 PolarHBondContact O-N 3.47Å; E221-R224 IonicContact OE1-NH1 3.87Å; E221-R224 PolarHBondContact OE1-NH1 2.75Å; E221-R224 IonicContact OE2-NH1 3.93Å; E221-F225 HydrophobicContact CB-CD2 4.45Å; E221-F225 HydrophobicContact CB-CE2 4.26Å; E221-F225 WeakPolarHBondContact O-CD2 3.48Å; E221-F225 PolarHBondContact O-N 3Å
222E81.5Confident83.8Confident22 Ų2256.3 Ų56.310%0.10327%0.272CS..Hα-helixtrans-60.4-48175.4-166.7166.4-175.200111.7I176 C218 L219 K220 R224 Y226I176-E222 VanDerWaalsContact CB-OE1 3.22Å; I176-E222 WeakPolarHBondContact CB-OE1 3.42Å; I176-E222 HydrophobicContact CD1-CB 4.17Å; I176-E222 HydrophobicContact CD1-CG 3.61Å; I176-E222 WeakPolarHBondContact CD1-OE1 3.28Å; I176-E222 WeakPolarHBondContact CD1-OE2 3.25Å; I176-E222 HydrophobicContact CG1-CG 4.35Å; I176-E222 VanDerWaalsContact CG1-OE1 3.23Å; I176-E222 WeakPolarHBondContact CG1-OE1 3.42Å; I176-E222 VanDerWaalsContact CG1-OE2 3.29Å; I176-E222 WeakPolarHBondContact CG1-OE2 3.08Å; C218-E222 WeakPolarHBondContact O-CB 3.49Å; C218-E222 PolarHBondContact O-N 2.78Å; L219-E222 PolarHBondContact O-N 3.22Å; K220-E222 VanDerWaalsContact C-N 3.3Å; K220-E222 PolarHBondContact O-N 2.65Å; E222-R224 VanDerWaalsContact C-N 3.34Å; E222-R224 PolarHBondContact O-N 3.22Å; E222-Y226 HydrophobicContact CG-CD2 4.47Å; E222-Y226 HydrophobicContact CG-CE2 4.01Å; E222-Y226 WeakPolarHBondContact O-CD2 3.37Å
223I82Confident83.3Confident0 Ų057.7 Ų57.70%028%0.278CS..Hα-helixtrans-61.3-43.1174.3-66.8170.3000111.2V124 F190 L200 F202 L219 K220 E221 Y226 D227 L230 L231V124-I223 HydrophobicContact CG1-CD1 4.31Å; F190-I223 HydrophobicContact CE1-CG1 4.37Å; L200-I223 HydrophobicContact CD1-CD1 4.4Å; F202-I223 HydrophobicContact CE1-CD1 3.55Å; F202-I223 HydrophobicContact CZ-CD1 3.55Å; L219-I223 WeakPolarHBondContact O-CG1 3Å; L219-I223 PolarHBondContact O-N 3.31Å; L219-I223 VanDerWaalsContact O-N 3.08Å; K220-I223 PolarHBondContact O-N 2.99Å; E221-I223 PolarHBondContact O-N 3.5Å; I223-Y226 PolarHBondContact O-N 3.21Å; I223-D227 PolarHBondContact O-N 2.87Å; I223-L230 HydrophobicContact CG2-CB 3.51Å; I223-L230 HydrophobicContact CG2-CD1 4.04Å; I223-L230 HydrophobicContact CG2-CG 4.43Å; I223-L231 HydrophobicContact CB-CD2 4.23Å; I223-L231 HydrophobicContact CG2-CD2 3.95Å; I223-L231 HydrophobicContact CG2-CG 4.19Å
224R83.1Confident83.2Confident126 Ų12657.9 Ų57.948%0.47528%0.278SS..Hα-helixtrans-61.3-44.4-178.4-171.9-176.4177.1-176.3-0.9113K220 E221 E222 Y226 L231K220-R224 VanDerWaalsContact O-CB 3.26Å; K220-R224 WeakPolarHBondContact O-CB 3.48Å; K220-R224 PolarHBondContact O-N 3.46Å; E221-R224 WeakPolarHBondContact O-CB 3.29Å; E221-R224 PolarHBondContact O-N 3.47Å; E221-R224 IonicContact OE1-NH1 3.87Å; E221-R224 PolarHBondContact OE1-NH1 2.75Å; E221-R224 IonicContact OE2-NH1 3.93Å; E222-R224 VanDerWaalsContact C-N 3.34Å; E222-R224 PolarHBondContact O-N 3.22Å; R224-Y226 PolarHBondContact O-N 3.18Å; R224-L231 HydrophobicContact CB-CD1 3.78Å; R224-L231 HydrophobicContact CG-CD1 4.12Å
225F78.4Confident83.2Confident170 Ų17055.9 Ų55.975%0.74627%0.266SS*.Hα-helixtrans-58.5-29.6179.4-86.5-62000112.2E221E221-F225 HydrophobicContact CB-CD2 4.45Å; E221-F225 HydrophobicContact CB-CE2 4.26Å; E221-F225 WeakPolarHBondContact O-CD2 3.48Å; E221-F225 PolarHBondContact O-N 3Å
226Y72.3Confident83.4Confident76 Ų7655.9 Ų55.930%0.29827%0.266SS..Hα-helixtrans-90.3-49.5-179.3-74.7-61.8000113.2A180 H181 L191 E222 I223 R224A180-Y226 PolarHBondContact O-OH 3.29Å; H181-Y226 PolarHBondContact N-OH 2.68Å; L191-Y226 VanDerWaalsContact CD1-CB 3.41Å; L191-Y226 HydrophobicContact CD1-CD1 3.69Å; L191-Y226 HydrophobicContact CD1-CD2 4.4Å; L191-Y226 HydrophobicContact CD1-CG 3.6Å; L191-Y226 HydrophobicContact CD2-CD2 4.03Å; L191-Y226 HydrophobicContact CD2-CG 3.84Å; L191-Y226 HydrophobicContact CG-CD2 4.46Å; L191-Y226 HydrophobicContact CG-CG 4.09Å; E222-Y226 HydrophobicContact CG-CD2 4.47Å; E222-Y226 HydrophobicContact CG-CE2 4.01Å; E222-Y226 WeakPolarHBondContact O-CD2 3.37Å; I223-Y226 PolarHBondContact O-N 3.21Å; R224-Y226 PolarHBondContact O-N 3.18Å
227D72.6Confident83.6Confident39 Ų3955.7 Ų55.721%0.20927%0.265CS..  trans-157.5110.8178-169.4-19.8000111K195 I223 S229 L230K195-D227 WeakPolarHBondContact CE-OD2 3.31Å; K195-D227 IonicContact NZ-OD2 3.03Å; K195-D227 PolarHBondContact NZ-OD2 3.3Å; I223-D227 PolarHBondContact O-N 2.87Å; D227-S229 PolarHBondContact O-N 3Å; D227-S229 WeakPolarHBondContact OD1-CB 3.17Å; D227-S229 PolarHBondContact OD1-N 2.91Å; D227-S229 PolarHBondContact OD1-OG 3.25Å; D227-S229 PolarHBondContact OD2-OG 3.17Å; D227-L230 HydrophobicContact CB-CD1 3.93Å; D227-L230 HydrophobicContact CB-CG 3.98Å; D227-L230 WeakPolarHBondContact O-CB 3.43Å; D227-L230 PolarHBondContact O-N 3.33Å
228Q77.7Confident83.8Confident125 Ų12552 Ų5258%0.58425%0.245SC*.G310 helixtrans-62.2-30.8179.5-176.9172.6-13.200112.9L230 L231Q228-L230 PolarHBondContact O-N 3.04Å; Q228-L231 PolarHBondContact O-N 3.03Å
229S76.6Confident84.3Confident53 Ų5349.5 Ų49.537%0.37123%0.228SC..G310 helixtrans-64-22.3-179.668.30000112.8D227 L231 E232D227-S229 PolarHBondContact O-N 3Å; D227-S229 WeakPolarHBondContact OD1-CB 3.17Å; D227-S229 PolarHBondContact OD1-N 2.91Å; D227-S229 PolarHBondContact OD1-OG 3.25Å; D227-S229 PolarHBondContact OD2-OG 3.17Å; S229-L231 VanDerWaalsContact C-N 3.25Å; S229-L231 PolarHBondContact O-N 3.23Å; S229-E232 VanDerWaalsContact O-CB 3.32Å; S229-E232 WeakPolarHBondContact O-CB 3.1Å; S229-E232 PolarHBondContact O-N 2.98Å; S229-E232 VanDerWaalsContact O-N 3.12Å
230L79.2Confident84.7Confident4 Ų449.5 Ų49.52%0.02123%0.228CC..G310 helixtrans-68.5-26.2176-67.1178.2000112.9L191 V194 K195 I223 D227 Q228 E232 Q233L191-L230 HydrophobicContact CD2-CD1 3.67Å; V194-L230 HydrophobicContact CB-CD1 4.3Å; V194-L230 HydrophobicContact CG1-CB 4.31Å; V194-L230 HydrophobicContact CG1-CD1 3.74Å; V194-L230 HydrophobicContact CG1-CD2 3.75Å; V194-L230 HydrophobicContact CG1-CG 4.14Å; K195-L230 HydrophobicContact CB-CD2 4.39Å; K195-L230 HydrophobicContact CG-CD2 3.49Å; K195-L230 VanDerWaalsContact CG-CD2 3.49Å; K195-L230 HydrophobicContact CG-CG 4.43Å; I223-L230 HydrophobicContact CG2-CB 3.51Å; I223-L230 HydrophobicContact CG2-CD1 4.04Å; I223-L230 HydrophobicContact CG2-CG 4.43Å; D227-L230 HydrophobicContact CB-CD1 3.93Å; D227-L230 HydrophobicContact CB-CG 3.98Å; D227-L230 WeakPolarHBondContact O-CB 3.43Å; D227-L230 PolarHBondContact O-N 3.33Å; Q228-L230 PolarHBondContact O-N 3.04Å; L230-E232 PolarHBondContact O-N 2.84Å; L230-Q233 WeakPolarHBondContact O-CB 3.47Å; L230-Q233 PolarHBondContact O-N 3.41Å
231L82.1Confident85Confident36 Ų3650 Ų5019%0.18823%0.231CC..G310 helixtrans-76.9-10.7174.8-67.1-177.6000112.8K220 I223 R224 Q228 S229 Q233 R235K220-L231 HydrophobicContact CB-CD2 4.44Å; K220-L231 HydrophobicContact CG-CD2 4.31Å; I223-L231 HydrophobicContact CB-CD2 4.23Å; I223-L231 HydrophobicContact CG2-CD2 3.95Å; I223-L231 HydrophobicContact CG2-CG 4.19Å; R224-L231 HydrophobicContact CB-CD1 3.78Å; R224-L231 HydrophobicContact CG-CD1 4.12Å; Q228-L231 PolarHBondContact O-N 3.03Å; S229-L231 VanDerWaalsContact C-N 3.25Å; S229-L231 PolarHBondContact O-N 3.23Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-R235 PolarHBondContact O-NH1 3.03Å
232E82.2Confident85.3Confident150 Ų15047.9 Ų47.970%0.70122%0.221SC*.G310 helixtrans-81.4-16.4172.8-56.8173.7174.900111.5S229 L230S229-E232 VanDerWaalsContact O-CB 3.32Å; S229-E232 WeakPolarHBondContact O-CB 3.1Å; S229-E232 PolarHBondContact O-N 2.98Å; S229-E232 VanDerWaalsContact O-N 3.12Å; L230-E232 PolarHBondContact O-N 2.84Å
233Q81.8Confident85.8Confident35 Ų3550.2 Ų50.216%0.16423%0.234CC..SBendtrans-61.4142.6175.4-64.9-175.2-27.500110.9C197 L200 L230 L231 R235C197-Q233 PolarHBondContact O-NE2 3.48Å; L200-Q233 VanDerWaalsContact CG-OE1 3.31Å; L230-Q233 WeakPolarHBondContact O-CB 3.47Å; L230-Q233 PolarHBondContact O-N 3.41Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 2.95Å
234P87.9Confident86.1Confident27 Ų2752.6 Ų52.618%0.17525%0.246CC..  trans-51.3133.7170.6-24.532.4000110.6C199 L200 L285 Q289C199-P234 CarbonylContact C-O 3.51Å; C199-P234 WeakPolarHBondContact CA-O 3.11Å; C199-P234 HydrophobicContact CB-CB 4.06Å; C199-P234 WeakPolarHBondContact CB-O 3.47Å; L200-P234 PolarHBondContact N-O 2.99Å; P234-L285 HydrophobicContact CB-CD1 4.15Å; P234-L285 HydrophobicContact CB-CD2 4.14Å; P234-L285 HydrophobicContact CB-CG 4.12Å; P234-Q289 HydrophobicContact CB-CG 4.36Å; P234-Q289 HydrophobicContact CG-CG 3.7Å
235R91.3Very high86.2Confident62 Ų6254.6 Ų54.623%0.23426%0.261CS..EExtended strand (participates in β ladder)trans-138.8150.5-175.364.4179.9178.6-126.51.5113.1L200 F202 L231 Q233 E262L200-R235 HydrophobicContact CB-CB 4.49Å; L200-R235 CarbonylContact O-C 3.56Å; L200-R235 WeakPolarHBondContact O-CA 3.43Å; F202-R235 HydrophobicContact CD2-CB 4.19Å; F202-R235 HydrophobicContact CE2-CB 3.96Å; L231-R235 PolarHBondContact O-NH1 3.03Å; Q233-R235 PolarHBondContact O-N 2.95Å; R235-E262 IonicContact CZ-OE1 2.68Å; R235-E262 IonicContact NE-OE1 3.34Å; R235-E262 PolarHBondContact NE-OE1 2.89Å; R235-E262 IonicContact NH2-OE1 3.7Å; R235-E262 PolarHBondContact NH2-OE1 2.78Å
236L93.7Very high86.6Confident1 Ų152.7 Ų52.71%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-132.4136.8174.4-174.6158.3000108.2L200 L201 F202 I238 L263 L265 L278 E281 L285L200-L236 PolarHBondContact O-N 2.77Å; L201-L236 CarbonylContact C-O 3.49Å; L201-L236 WeakPolarHBondContact CA-O 3.37Å; L201-L236 HydrophobicContact CD2-CB 3.72Å; L201-L236 HydrophobicContact CD2-CD2 4.25Å; L201-L236 HydrophobicContact CD2-CG 4.43Å; F202-L236 PolarHBondContact N-O 3.33Å; L236-I238 HydrophobicContact CD2-CD1 4.07Å; L236-I238 HydrophobicContact CD2-CG1 3.36Å; L236-L263 HydrophobicContact CD1-CD2 3.79Å; L236-L263 HydrophobicContact CD1-CG 4.36Å; L236-L263 HydrophobicContact CG-CB 4.42Å; L236-L263 HydrophobicContact CG-CD2 4.29Å; L236-L263 HydrophobicContact CG-CG 4.35Å; L236-L265 HydrophobicContact CD1-CD1 3.97Å; L236-L265 HydrophobicContact CD2-CB 4.45Å; L236-L265 HydrophobicContact CD2-CD1 4.13Å; L236-L265 HydrophobicContact CD2-CG 4.31Å; L236-L278 HydrophobicContact CD1-CD1 4.31Å; L236-L278 HydrophobicContact CD2-CD1 3.7Å; L236-E281 HydrophobicContact CD1-CB 4.04Å; L236-L285 HydrophobicContact CB-CD2 4.49Å
237V95.2Very high87.3Confident0 Ų049.2 Ų49.20%024%0.242CC..EExtended strand (participates in β ladder)trans-101.1132179.3-171.20000109.1F202 I204 F216 L254 L258 L263 L264 L265F202-V237 HydrophobicContact CB-CG1 4.49Å; I204-V237 HydrophobicContact CD1-CG1 3.39Å; I204-V237 HydrophobicContact CG1-CG1 4.27Å; F216-V237 HydrophobicContact CD2-CG1 4.41Å; F216-V237 HydrophobicContact CD2-CG2 4.42Å; F216-V237 HydrophobicContact CE1-CG2 4.29Å; F216-V237 HydrophobicContact CE2-CG1 4.48Å; F216-V237 HydrophobicContact CE2-CG2 3.72Å; F216-V237 HydrophobicContact CZ-CG2 3.63Å; V237-L254 HydrophobicContact CG1-CD2 4.23Å; V237-L258 HydrophobicContact CG2-CD2 4.4Å; V237-L263 PolarHBondContact N-O 2.9Å; V237-L264 HydrophobicContact CB-CD1 3.99Å; V237-L264 HydrophobicContact CG1-CD1 3.73Å; V237-L264 CarbonylContact O-C 3.46Å; V237-L264 VanDerWaalsContact O-CA 3.31Å; V237-L264 WeakPolarHBondContact O-CA 3.45Å; V237-L265 PolarHBondContact O-N 3.12Å
238I96Very high88.1Confident0 Ų050.6 Ų50.60%025%0.254CS..EExtended strand (participates in β ladder)trans-121.2115.6-175.8-55.8174.1000107.5L123 L134 L201 F202 V203 I204 L236 N240 L265 V267 L278L123-I238 HydrophobicContact CD2-CD1 4.45Å; L134-I238 HydrophobicContact CD2-CD1 3.87Å; L134-I238 HydrophobicContact CD2-CG2 4.1Å; L201-I238 HydrophobicContact CB-CD1 3.95Å; L201-I238 HydrophobicContact CD1-CD1 4.39Å; L201-I238 HydrophobicContact CD2-CD1 4.44Å; L201-I238 HydrophobicContact CG-CD1 4.49Å; F202-I238 PolarHBondContact O-N 2.82Å; V203-I238 HydrophobicContact CG2-CD1 4.35Å; I204-I238 PolarHBondContact N-O 3.11Å; L236-I238 HydrophobicContact CD2-CD1 4.07Å; L236-I238 HydrophobicContact CD2-CG1 3.36Å; I238-N240 PolarHBondContact O-N 2.82Å; I238-L265 WeakPolarHBondContact CA-O 3.44Å; I238-V267 HydrophobicContact CG2-CB 4.37Å; I238-V267 HydrophobicContact CG2-CG1 4.16Å; I238-V267 HydrophobicContact CG2-CG2 3.28Å; I238-L278 HydrophobicContact CD1-CD1 3.58Å; I238-L278 HydrophobicContact CD1-CD2 3.76Å; I238-L278 HydrophobicContact CD1-CG 4.33Å; I238-L278 HydrophobicContact CG1-CD1 3.92Å
239A95.9Very high88.7Confident0 Ų048.7 Ų48.70%025%0.248CC..EExtended strand (participates in β ladder)trans-88.9101168.200000108.3I242 V251 L264 L265 P266 V267A239-I242 WeakPolarHBondContact O-CG2 3.06Å; A239-V251 HydrophobicContact CB-CG2 3.73Å; A239-L264 HydrophobicContact CB-CD1 4.13Å; A239-L265 PolarHBondContact N-O 3.08Å; A239-P266 CarbonylContact O-C 3.59Å; A239-P266 WeakPolarHBondContact O-CA 3.47Å; A239-V267 PolarHBondContact O-N 2.86Å
240N95.7Very high89.3Confident1 Ų148.8 Ų48.81%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-91160.4-178.9-173.135.5000111.6A129 V203 I204 A206 I238 V267 A269A129-N240 PolarHBondContact O-ND2 2.81Å; V203-N240 HydrophobicContact CG1-CB 3.85Å; I204-N240 PolarHBondContact O-N 3.39Å; A206-N240 WeakPolarHBondContact CB-O 3.4Å; A206-N240 PolarHBondContact N-O 3.21Å; I238-N240 PolarHBondContact O-N 2.82Å; N240-V267 CarbonylContact C-O 3.56Å; N240-V267 VanDerWaalsContact CA-O 3.29Å; N240-V267 WeakPolarHBondContact CA-O 3.49Å; N240-V267 HydrophobicContact CB-CG2 4.04Å; N240-V267 PolarHBondContact OD1-O 3.5Å; N240-A269 PolarHBondContact OD1-N 2.81Å
241K94.6Very high89.9Confident51 Ų5149.4 Ų49.422%0.22224%0.244CC..  trans64.946.8-179.2-47-170-158.3160.40113.6N128 D205 S207 D243 V267N128-K241 WeakPolarHBondContact O-CE 3.28Å; N128-K241 PolarHBondContact O-NZ 2.81Å; D205-K241 WeakPolarHBondContact OD1-CD 3.23Å; D205-K241 IonicContact OD1-NZ 2.99Å; D205-K241 PolarHBondContact OD1-NZ 2.86Å; D205-K241 IonicContact OD2-NZ 3.82Å; D205-K241 PolarHBondContact OD2-NZ 3.12Å; S207-K241 WeakPolarHBondContact OG-CD 3.11Å; S207-K241 PolarHBondContact OG-NZ 2.89Å; K241-D243 VanDerWaalsContact C-OD1 3.24Å; K241-D243 WeakPolarHBondContact CA-OD1 3.49Å; K241-D243 PolarHBondContact O-N 3.28Å; K241-V267 PolarHBondContact N-O 2.84Å
242I92.3Very high90.3Very high28 Ų2854.2 Ų54.214%0.14426%0.264CS..THydrogen-bonded Turntrans-72.40.4176.666.5177.6000114A239 I244 A247 V251 P266 V267 E273A239-I242 WeakPolarHBondContact O-CG2 3.06Å; I242-I244 PolarHBondContact O-N 2.79Å; I242-A247 HydrophobicContact CB-CB 4Å; I242-A247 HydrophobicContact CG2-CB 4.47Å; I242-A247 VanDerWaalsContact O-CB 3.28Å; I242-A247 WeakPolarHBondContact O-CB 3.32Å; I242-V251 HydrophobicContact CG2-CG2 4.45Å; I242-P266 HydrophobicContact CD1-CB 4.07Å; I242-P266 HydrophobicContact CG2-CB 3.83Å; I242-V267 PolarHBondContact N-O 2.99Å; I242-E273 HydrophobicContact CD1-CG 4.32Å
243D91.1Very high90.7Very high71 Ų7153 Ų5338%0.3826%0.258SS..THydrogen-bonded Turntrans-65.8-8.5176.443.6-77.1000114.6K241 S268K241-D243 VanDerWaalsContact C-OD1 3.24Å; K241-D243 WeakPolarHBondContact CA-OD1 3.49Å; K241-D243 PolarHBondContact O-N 3.28Å; D243-S268 PolarHBondContact OD1-OG 3.44Å
244I89.1Confident91.1Very high49 Ų4951.4 Ų51.425%0.25125%0.25SS..SBendtrans-83156177.568.6180000112.6A206 S207 I242 A247A206-I244 HydrophobicContact CB-CD1 4.15Å; A206-I244 WeakPolarHBondContact O-CD1 3.33Å; S207-I244 VanDerWaalsContact CA-CD1 3.5Å; I242-I244 PolarHBondContact O-N 2.79Å; I244-A247 HydrophobicContact CD1-CB 4.45Å; I244-A247 HydrophobicContact CG1-CB 3.73Å; I244-A247 WeakPolarHBondContact O-CB 3.26Å; I244-A247 PolarHBondContact O-N 3.09Å
245E84.9Confident91.2Very high169 Ų16957.3 Ų57.379%0.7927%0.274SS*.THydrogen-bonded Turntrans-60.1145.1167.1-66.1179.9-179.800111.3A247E245-A247 PolarHBondContact O-N 3.03Å; E245-A247 VanDerWaalsContact O-N 3.13Å
246H85.7Confident91Very high129 Ų12958.9 Ų58.960%0.59729%0.294SS*.THydrogen-bonded Turntrans62.29.4-177.4-51.8-74.5000116.1S248 D249 R250H246-S248 PolarHBondContact O-N 3.48Å; H246-D249 IonicContact ND1-OD2 3.82Å; H246-D249 PolarHBondContact O-N 2.79Å; H246-R250 WeakPolarHBondContact O-CG 3.18Å; H246-R250 PolarHBondContact O-N 3.26Å
247A87Confident90.7Very high4 Ų463 Ų633%0.03332%0.319CS..Hα-helixtrans-53.6-43.9174.900000112.1I242 I244 E245 D249 R250 V251I242-A247 HydrophobicContact CB-CB 4Å; I242-A247 HydrophobicContact CG2-CB 4.47Å; I242-A247 VanDerWaalsContact O-CB 3.28Å; I242-A247 WeakPolarHBondContact O-CB 3.32Å; I244-A247 HydrophobicContact CD1-CB 4.45Å; I244-A247 HydrophobicContact CG1-CB 3.73Å; I244-A247 WeakPolarHBondContact O-CB 3.26Å; I244-A247 PolarHBondContact O-N 3.09Å; E245-A247 PolarHBondContact O-N 3.03Å; E245-A247 VanDerWaalsContact O-N 3.13Å; A247-D249 PolarHBondContact O-N 3.29Å; A247-R250 PolarHBondContact O-N 2.92Å; A247-V251 WeakPolarHBondContact O-CB 3.15Å; A247-V251 VanDerWaalsContact O-CG2 3.24Å; A247-V251 WeakPolarHBondContact O-CG2 3.29Å; A247-V251 PolarHBondContact O-N 3.38Å
248S89.1Confident90.2Very high68 Ų6863.8 Ų63.848%0.47632%0.323SS..Hα-helixtrans-60-42.4-178.357.90000112.7H246 V251 K252H246-S248 PolarHBondContact O-N 3.48Å; S248-V251 PolarHBondContact O-N 3.03Å; S248-K252 VanDerWaalsContact O-CG 3.27Å; S248-K252 WeakPolarHBondContact O-CG 3.49Å; S248-K252 PolarHBondContact O-N 2.98Å
249D90.7Very high89.4Confident85 Ų8565.6 Ų65.646%0.45534%0.342SS..Hα-helixtrans-69.5-39.6179-63.6-33.6000111.5H246 A247 K252 Q253H246-D249 IonicContact ND1-OD2 3.82Å; H246-D249 PolarHBondContact O-N 2.79Å; A247-D249 PolarHBondContact O-N 3.29Å; D249-K252 PolarHBondContact O-N 3.13Å; D249-K252 IonicContact OD1-NZ 3.06Å; D249-Q253 PolarHBondContact O-N 3.31Å
250R90.5Very high88.3Confident54 Ų5474.4 Ų74.420%0.20439%0.389CS..Hα-helixtrans-63.7-43.3174.4-64.9-179.566.7165.31.6111.6A206 S208 Q210 L212 H246 A247 K252 Q253 L254A206-R250 PolarHBondContact O-NH1 2.82Å; S208-R250 VanDerWaalsContact O-CZ 3.23Å; S208-R250 PolarHBondContact O-NH1 3.47Å; S208-R250 PolarHBondContact O-NH2 3.18Å; Q210-R250 PolarHBondContact O-NH2 2.93Å; L212-R250 HydrophobicContact CD1-CB 3.8Å; L212-R250 WeakPolarHBondContact CD1-O 3.47Å; L212-R250 HydrophobicContact CG-CB 4.5Å; H246-R250 WeakPolarHBondContact O-CG 3.18Å; H246-R250 PolarHBondContact O-N 3.26Å; A247-R250 PolarHBondContact O-N 2.92Å; R250-K252 VanDerWaalsContact C-N 3.35Å; R250-Q253 WeakPolarHBondContact O-CB 3.36Å; R250-Q253 PolarHBondContact O-N 2.85Å; R250-L254 PolarHBondContact O-N 2.82Å
251V91.1Very high87.3Confident18 Ų1879.7 Ų79.711%0.10943%0.427CS..Hα-helixtrans-62.9-41.8176.5170.50000110.8L212 A239 I242 A247 S248 Q253 L254 K255 L264 P266L212-V251 HydrophobicContact CD1-CG2 4.42Å; A239-V251 HydrophobicContact CB-CG2 3.73Å; I242-V251 HydrophobicContact CG2-CG2 4.45Å; A247-V251 WeakPolarHBondContact O-CB 3.15Å; A247-V251 VanDerWaalsContact O-CG2 3.24Å; A247-V251 WeakPolarHBondContact O-CG2 3.29Å; A247-V251 PolarHBondContact O-N 3.38Å; S248-V251 PolarHBondContact O-N 3.03Å; V251-Q253 VanDerWaalsContact C-N 3.34Å; V251-Q253 PolarHBondContact O-N 2.89Å; V251-L254 PolarHBondContact O-N 2.85Å; V251-K255 WeakPolarHBondContact O-CB 3.48Å; V251-K255 PolarHBondContact O-N 3.29Å; V251-L264 HydrophobicContact CG1-CD2 3.9Å; V251-L264 HydrophobicContact CG1-CG 4.49Å; V251-P266 HydrophobicContact CG1-CB 4.28Å; V251-P266 HydrophobicContact CG2-CB 4.37Å
252K90.9Very high86.7Confident136 Ų13678.5 Ų78.559%0.59142%0.422SS*.Hα-helixtrans-61.1-41.6173.7-73169.7-171.2167.20111.9S248 D249 R250 K255 S256S248-K252 VanDerWaalsContact O-CG 3.27Å; S248-K252 WeakPolarHBondContact O-CG 3.49Å; S248-K252 PolarHBondContact O-N 2.98Å; D249-K252 PolarHBondContact O-N 3.13Å; D249-K252 IonicContact OD1-NZ 3.06Å; R250-K252 VanDerWaalsContact C-N 3.35Å; K252-K255 WeakPolarHBondContact O-CB 3.37Å; K252-K255 PolarHBondContact O-N 3.31Å; K252-S256 PolarHBondContact O-N 2.68Å
253Q89.7Confident86.6Confident124 Ų12480.4 Ų80.458%0.57943%0.432SS*.Hα-helixtrans-63.8-40.4175.8-171.8-174.610.200111.9D249 R250 V251 S256 T257D249-Q253 PolarHBondContact O-N 3.31Å; R250-Q253 WeakPolarHBondContact O-CB 3.36Å; R250-Q253 PolarHBondContact O-N 2.85Å; V251-Q253 VanDerWaalsContact C-N 3.34Å; V251-Q253 PolarHBondContact O-N 2.89Å; Q253-S256 PolarHBondContact O-N 2.9Å; Q253-S256 PolarHBondContact O-OG 3.27Å; Q253-T257 WeakPolarHBondContact O-CG2 2.91Å; Q253-T257 PolarHBondContact O-N 3.16Å
254L90.7Very high86.8Confident2 Ų278 Ų781%0.0142%0.419CS..Hα-helixtrans-63.6-45.6173.2179.564.3000110.3I204 L212 A213 V237 R250 V251 S256 T257 L258 L264I204-L254 HydrophobicContact CD1-CD2 3.83Å; L212-L254 HydrophobicContact CB-CB 4.04Å; L212-L254 HydrophobicContact CB-CD1 4.26Å; L212-L254 HydrophobicContact CB-CD2 4.1Å; L212-L254 HydrophobicContact CB-CG 4.35Å; L212-L254 HydrophobicContact CD1-CB 4.15Å; L212-L254 HydrophobicContact CD1-CD2 4.39Å; A213-L254 HydrophobicContact CB-CD1 4.13Å; V237-L254 HydrophobicContact CG1-CD2 4.23Å; R250-L254 PolarHBondContact O-N 2.82Å; V251-L254 PolarHBondContact O-N 2.85Å; L254-S256 VanDerWaalsContact C-N 3.25Å; L254-S256 PolarHBondContact O-N 3.13Å; L254-T257 PolarHBondContact O-N 2.87Å; L254-T257 PolarHBondContact O-OG1 2.9Å; L254-L258 HydrophobicContact CD1-CD1 4.36Å; L254-L258 HydrophobicContact CD1-CD2 4.24Å; L254-L258 HydrophobicContact CD1-CG 4.11Å; L254-L258 HydrophobicContact CD2-CD1 4.28Å; L254-L258 HydrophobicContact CG-CD1 3.84Å; L254-L258 HydrophobicContact CG-CG 4.07Å; L254-L258 WeakPolarHBondContact O-CG 3.21Å; L254-L258 PolarHBondContact O-N 3.31Å; L254-L264 HydrophobicContact CB-CD2 4.15Å; L254-L264 HydrophobicContact CD2-CD1 3.63Å; L254-L264 HydrophobicContact CD2-CD2 3.88Å; L254-L264 HydrophobicContact CD2-CG 4.42Å; L254-L264 HydrophobicContact CG-CD2 4.01Å
255K90.4Very high87Confident152 Ų15276 Ų7666%0.66141%0.409SS*.Hα-helixtrans-57.5-35.2179.6-167.5172.9-179.4173.80113.1V251 K252 T257 L264V251-K255 WeakPolarHBondContact O-CB 3.48Å; V251-K255 PolarHBondContact O-N 3.29Å; K252-K255 WeakPolarHBondContact O-CB 3.37Å; K252-K255 PolarHBondContact O-N 3.31Å; K255-T257 VanDerWaalsContact C-N 3.33Å; K255-L264 HydrophobicContact CB-CD2 3.99Å
256S87.7Confident87.5Confident95 Ų9570.3 Ų70.366%0.66439%0.386SS*.Hα-helixtrans-74.1-23.1176.263.90000113.7K252 Q253 L254K252-S256 PolarHBondContact O-N 2.68Å; Q253-S256 PolarHBondContact O-N 2.9Å; Q253-S256 PolarHBondContact O-OG 3.27Å; L254-S256 VanDerWaalsContact C-N 3.25Å; L254-S256 PolarHBondContact O-N 3.13Å
257T85.8Confident88Confident86 Ų8664.1 Ų64.153%0.52836%0.358SS..Hα-helixtrans-88-22.2175.460.50000113.8A213 Q253 L254 K255A213-T257 HydrophobicContact CB-CG2 4.39Å; Q253-T257 WeakPolarHBondContact O-CG2 2.91Å; Q253-T257 PolarHBondContact O-N 3.16Å; L254-T257 PolarHBondContact O-N 2.87Å; L254-T257 PolarHBondContact O-OG1 2.9Å; K255-T257 VanDerWaalsContact C-N 3.33Å
258L85.1Confident88.4Confident17 Ų1764 Ų649%0.08936%0.356CS..SBendtrans-77.1147.2176.5-67.2173000110.4F216 V237 L254 E262 L264F216-L258 HydrophobicContact CD1-CD2 3.53Å; F216-L258 HydrophobicContact CE1-CD2 3.24Å; F216-L258 HydrophobicContact CZ-CD2 4.14Å; V237-L258 HydrophobicContact CG2-CD2 4.4Å; L254-L258 HydrophobicContact CD1-CD1 4.36Å; L254-L258 HydrophobicContact CD1-CD2 4.24Å; L254-L258 HydrophobicContact CD1-CG 4.11Å; L254-L258 HydrophobicContact CD2-CD1 4.28Å; L254-L258 HydrophobicContact CG-CD1 3.84Å; L254-L258 HydrophobicContact CG-CG 4.07Å; L254-L258 WeakPolarHBondContact O-CG 3.21Å; L254-L258 PolarHBondContact O-N 3.31Å; L258-E262 HydrophobicContact CB-CB 4.29Å; L258-E262 HydrophobicContact CD2-CB 4.39Å; L258-E262 WeakPolarHBondContact CD2-OE2 3.43Å; L258-L264 HydrophobicContact CD1-CB 3.7Å; L258-L264 HydrophobicContact CD1-CD1 4.28Å; L258-L264 HydrophobicContact CD1-CD2 3.91Å; L258-L264 HydrophobicContact CD1-CG 4.17Å
259G78.6Confident88.5Confident39 Ų3961.2 Ų61.240%0.40234%0.337SS..  trans-73.1158.7173.200000111.9S261 E262G259-S261 PolarHBondContact O-N 2.85Å; G259-E262 PolarHBondContact O-N 3.42Å
260N74.1Confident88.5Confident184 Ų18463.2 Ų63.298%0.98435%0.348SS*.THydrogen-bonded Turntrans-57.7-18.5177.8-72.3-12.7000114.1
261S74.3Confident88.6Confident113 Ų11366.7 Ų66.779%0.7937%0.366SS*.THydrogen-bonded Turntrans-81.2-14.3176.858.50000114.1G259G259-S261 PolarHBondContact O-N 2.85Å
262E81.8Confident88.6Confident26 Ų2672.3 Ų72.312%0.12139%0.391CS..  trans-99.8112.9-174.2-64.4-174.8140.200110.8R235 L258 G259 L264R235-E262 IonicContact CZ-OE1 2.68Å; R235-E262 IonicContact NE-OE1 3.34Å; R235-E262 PolarHBondContact NE-OE1 2.89Å; R235-E262 IonicContact NH2-OE1 3.7Å; R235-E262 PolarHBondContact NH2-OE1 2.78Å; L258-E262 HydrophobicContact CB-CB 4.29Å; L258-E262 HydrophobicContact CD2-CB 4.39Å; L258-E262 WeakPolarHBondContact CD2-OE2 3.43Å; G259-E262 PolarHBondContact O-N 3.42Å; E262-L264 PolarHBondContact O-N 2.89Å
263L90.9Very high88.7Confident67 Ų6771 Ų7135%0.35139%0.387SS..EExtended strand (participates in β ladder)trans-77122.1175.9-178.260.5000110.3L236 V237 L265 E281L236-L263 HydrophobicContact CD1-CD2 3.79Å; L236-L263 HydrophobicContact CD1-CG 4.36Å; L236-L263 HydrophobicContact CG-CB 4.42Å; L236-L263 HydrophobicContact CG-CD2 4.29Å; L236-L263 HydrophobicContact CG-CG 4.35Å; V237-L263 PolarHBondContact N-O 2.9Å; L263-L265 HydrophobicContact CD1-CD2 4.29Å; L263-L265 HydrophobicContact CG-CD2 4.42Å; L263-L265 HydrophobicContact CG-CG 4.32Å; L263-E281 HydrophobicContact CD2-CB 3.81Å; L263-E281 HydrophobicContact CD2-CG 3.93Å
264L93.8Very high88.8Confident21 Ų2166 Ų6611%0.1137%0.369CS..EExtended strand (participates in β ladder)trans-108.7122.3175.3176.562.9000110.8V237 A239 V251 L254 K255 L258 E262V237-L264 HydrophobicContact CB-CD1 3.99Å; V237-L264 HydrophobicContact CG1-CD1 3.73Å; V237-L264 CarbonylContact O-C 3.46Å; V237-L264 VanDerWaalsContact O-CA 3.31Å; V237-L264 WeakPolarHBondContact O-CA 3.45Å; A239-L264 HydrophobicContact CB-CD1 4.13Å; V251-L264 HydrophobicContact CG1-CD2 3.9Å; V251-L264 HydrophobicContact CG1-CG 4.49Å; L254-L264 HydrophobicContact CB-CD2 4.15Å; L254-L264 HydrophobicContact CD2-CD1 3.63Å; L254-L264 HydrophobicContact CD2-CD2 3.88Å; L254-L264 HydrophobicContact CD2-CG 4.42Å; L254-L264 HydrophobicContact CG-CD2 4.01Å; K255-L264 HydrophobicContact CB-CD2 3.99Å; L258-L264 HydrophobicContact CD1-CB 3.7Å; L258-L264 HydrophobicContact CD1-CD1 4.28Å; L258-L264 HydrophobicContact CD1-CD2 3.91Å; L258-L264 HydrophobicContact CD1-CG 4.17Å; E262-L264 PolarHBondContact O-N 2.89Å
265L95Very high88.9Confident7 Ų766.4 Ų66.44%0.03737%0.371CS..EExtended strand (participates in β ladder)trans-117120.3175.2-63.7-178000111.7L236 V237 I238 A239 L263 E277 L278 E281L236-L265 HydrophobicContact CD1-CD1 3.97Å; L236-L265 HydrophobicContact CD2-CB 4.45Å; L236-L265 HydrophobicContact CD2-CD1 4.13Å; L236-L265 HydrophobicContact CD2-CG 4.31Å; V237-L265 PolarHBondContact O-N 3.12Å; I238-L265 WeakPolarHBondContact CA-O 3.44Å; A239-L265 PolarHBondContact N-O 3.08Å; L263-L265 HydrophobicContact CD1-CD2 4.29Å; L263-L265 HydrophobicContact CG-CD2 4.42Å; L263-L265 HydrophobicContact CG-CG 4.32Å; L265-E277 HydrophobicContact CD2-CG 4.33Å; L265-L278 HydrophobicContact CD1-CB 4.22Å; L265-L278 HydrophobicContact CD1-CD1 3.98Å; L265-E281 HydrophobicContact CD1-CB 3.82Å; L265-E281 HydrophobicContact CD1-CG 3.92Å; L265-E281 HydrophobicContact CD2-CG 4.45Å
266P95.6Very high89Confident49 Ų4965.5 Ų65.532%0.31837%0.373SS..EExtended strand (participates in β ladder)trans-75.8132.3169.130.4-30.8000110.4A239 I242 V251A239-P266 CarbonylContact O-C 3.59Å; A239-P266 WeakPolarHBondContact O-CA 3.47Å; I242-P266 HydrophobicContact CD1-CB 4.07Å; I242-P266 HydrophobicContact CG2-CB 3.83Å; V251-P266 HydrophobicContact CG1-CB 4.28Å; V251-P266 HydrophobicContact CG2-CB 4.37Å
267V96.1Very high89.3Confident0 Ų065.6 Ų65.60%036%0.363CS..EExtended strand (participates in β ladder)trans-140.6153.3178-55.80000111.9L134 I238 A239 N240 K241 I242 E273 I275 L278L134-V267 HydrophobicContact CD1-CG2 3.8Å; I238-V267 HydrophobicContact CG2-CB 4.37Å; I238-V267 HydrophobicContact CG2-CG1 4.16Å; I238-V267 HydrophobicContact CG2-CG2 3.28Å; A239-V267 PolarHBondContact O-N 2.86Å; N240-V267 CarbonylContact C-O 3.56Å; N240-V267 VanDerWaalsContact CA-O 3.29Å; N240-V267 WeakPolarHBondContact CA-O 3.49Å; N240-V267 HydrophobicContact CB-CG2 4.04Å; N240-V267 PolarHBondContact OD1-O 3.5Å; K241-V267 PolarHBondContact N-O 2.84Å; I242-V267 PolarHBondContact N-O 2.99Å; V267-E273 VanDerWaalsContact CA-O 3.31Å; V267-E273 WeakPolarHBondContact CA-O 3.42Å; V267-E273 WeakPolarHBondContact CB-O 3.33Å; V267-I275 HydrophobicContact CB-CD1 4.45Å; V267-L278 HydrophobicContact CG1-CB 4.32Å; V267-L278 HydrophobicContact CG1-CD2 4.3Å
268S95.4Very high89.7Confident0 Ų061.5 Ų61.50%034%0.338CS..BIsolated β-bridgetrans-120.2107.1162.6-178.50000108.9D243 L270 H271 Q272 E273D243-S268 PolarHBondContact OD1-OG 3.44Å; S268-L270 PolarHBondContact O-N 2.81Å; S268-L270 PolarHBondContact OG-N 3.36Å; S268-H271 PolarHBondContact O-N 2.97Å; S268-H271 PolarHBondContact OG-N 2.78Å; S268-Q272 CarbonylContact O-C 3.54Å; S268-Q272 VanDerWaalsContact O-CA 3.25Å; S268-Q272 WeakPolarHBondContact O-CA 3.44Å; S268-Q272 PolarHBondContact O-N 2.83Å; S268-E273 PolarHBondContact N-O 3.2Å; S268-E273 PolarHBondContact O-N 2.87Å
269A91.3Very high90.1Very high10 Ų1061.6 Ų61.68%0.08334%0.341CS..THydrogen-bonded Turntrans-62-27171.700000112.1L134 C137 N240L134-A269 HydrophobicContact CB-CB 4.34Å; L134-A269 HydrophobicContact CD1-CB 4.11Å; C137-A269 PolarHBondContact SG-O 2.85Å; N240-A269 PolarHBondContact OD1-N 2.81Å
270L90.8Very high90.8Very high128 Ų12864.8 Ų64.867%0.6735%0.347SS*.THydrogen-bonded Turntrans-70.5-47.1179.3-178.162.2000111.7S268S268-L270 PolarHBondContact O-N 2.81Å; S268-L270 PolarHBondContact OG-N 3.36Å
271H91.7Very high91.7Very high126 Ų12658 Ų5858%0.58331%0.309SS*.THydrogen-bonded Turntrans-95.43-179.8-62.2-57.5000114.2S268 E273S268-H271 PolarHBondContact O-N 2.97Å; S268-H271 PolarHBondContact OG-N 2.78Å; H271-E273 PolarHBondContact O-N 3.33Å
272Q90.5Very high92.5Very high136 Ų13652.6 Ų52.664%0.63627%0.272SS*.THydrogen-bonded Turntrans56.329.5-174.1-54-178.72100113.5S268 I275S268-Q272 CarbonylContact O-C 3.54Å; S268-Q272 VanDerWaalsContact O-CA 3.25Å; S268-Q272 WeakPolarHBondContact O-CA 3.44Å; S268-Q272 PolarHBondContact O-N 2.83Å; Q272-I275 HydrophobicContact CB-CG1 4.21Å
273E93.4Very high92.9Very high108 Ų10852.6 Ų52.651%0.50527%0.271SS..BIsolated β-bridgetrans-81.3135.4177.4-167.8178.8168.400110.4I242 V267 S268 H271 I275I242-E273 HydrophobicContact CD1-CG 4.32Å; V267-E273 VanDerWaalsContact CA-O 3.31Å; V267-E273 WeakPolarHBondContact CA-O 3.42Å; V267-E273 WeakPolarHBondContact CB-O 3.33Å; S268-E273 PolarHBondContact N-O 3.2Å; S268-E273 PolarHBondContact O-N 2.87Å; H271-E273 PolarHBondContact O-N 3.33Å; E273-I275 PolarHBondContact O-N 3.4Å
274G92.8Very high92.9Very high20 Ų2055.3 Ų55.321%0.20628%0.279CS..THydrogen-bonded Turntrans73.1-2-18000000115.5N276 E277 L278G274-N276 PolarHBondContact O-N 2.86Å; G274-E277 PolarHBondContact O-N 3.05Å; G274-L278 WeakPolarHBondContact O-CB 3.27Å; G274-L278 PolarHBondContact O-N 3.27Å
275I92.6Very high92.7Very high11 Ų1156.1 Ų56.16%0.05628%0.284CS..Hα-helixtrans-64.5-40.9-176.5-57.6-59.3000112.4L134 C137 L138 V267 Q272 E273 L278 A279L134-I275 HydrophobicContact CD1-CD1 3.44Å; L134-I275 VanDerWaalsContact CD1-CD1 3.44Å; C137-I275 HydrophobicContact CB-CD1 4.05Å; C137-I275 HydrophobicContact CB-CG1 4.19Å; C137-I275 HydrophobicContact CB-CG2 4.28Å; L138-I275 HydrophobicContact CD2-CG2 3.76Å; L138-I275 HydrophobicContact CG-CG2 4.26Å; V267-I275 HydrophobicContact CB-CD1 4.45Å; Q272-I275 HydrophobicContact CB-CG1 4.21Å; E273-I275 PolarHBondContact O-N 3.4Å; I275-L278 PolarHBondContact O-N 3.02Å; I275-A279 PolarHBondContact O-N 3.22Å
276N92Very high92.2Very high132 Ų13256.1 Ų56.171%0.70628%0.284SS*.Hα-helixtrans-67.3-41.4178.5-70.3-30.3000111.7G274 A279 M280G274-N276 PolarHBondContact O-N 2.86Å; N276-A279 PolarHBondContact O-N 3.3Å; N276-M280 WeakPolarHBondContact O-CG 3.16Å; N276-M280 PolarHBondContact O-N 3.35Å
277E93.9Very high91.6Very high98 Ų9856.4 Ų56.446%0.45828%0.283SS..Hα-helixtrans-63.1-45.1175.7-172.3175.2-172.400110.8L265 G274 A279 M280 E281L265-E277 HydrophobicContact CD2-CG 4.33Å; G274-E277 PolarHBondContact O-N 3.05Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.25Å; E277-M280 HydrophobicContact CB-CE 4.48Å; E277-M280 PolarHBondContact O-N 3.42Å; E277-M280 VanDerWaalsContact O-N 3.15Å; E277-E281 HydrophobicContact CG-CG 4.45Å; E277-E281 WeakPolarHBondContact O-CG 3.36Å; E277-E281 PolarHBondContact O-N 3.28Å
278L94.4Very high90.7Very high0 Ų059.4 Ų59.40%030%0.304CS..Hα-helixtrans-56.3-44.4173.4175.360.7000112.5L134 L138 L236 I238 L265 V267 G274 I275 L282L134-L278 HydrophobicContact CD1-CD2 4.13Å; L134-L278 HydrophobicContact CD2-CD2 4.02Å; L134-L278 HydrophobicContact CG-CD2 4.28Å; L138-L278 HydrophobicContact CD1-CD2 3.95Å; L138-L278 HydrophobicContact CD2-CD2 4Å; L138-L278 HydrophobicContact CD2-CG 4.16Å; L138-L278 HydrophobicContact CG-CD2 4.37Å; L236-L278 HydrophobicContact CD1-CD1 4.31Å; L236-L278 HydrophobicContact CD2-CD1 3.7Å; I238-L278 HydrophobicContact CD1-CD1 3.58Å; I238-L278 HydrophobicContact CD1-CD2 3.76Å; I238-L278 HydrophobicContact CD1-CG 4.33Å; I238-L278 HydrophobicContact CG1-CD1 3.92Å; L265-L278 HydrophobicContact CD1-CB 4.22Å; L265-L278 HydrophobicContact CD1-CD1 3.98Å; V267-L278 HydrophobicContact CG1-CB 4.32Å; V267-L278 HydrophobicContact CG1-CD2 4.3Å; G274-L278 WeakPolarHBondContact O-CB 3.27Å; G274-L278 PolarHBondContact O-N 3.27Å; I275-L278 PolarHBondContact O-N 3.02Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 PolarHBondContact O-N 2.63Å
279A92.8Very high89.4Confident18 Ų1862.5 Ų62.515%0.14932%0.318CS..Hα-helixtrans-63.6-42.8176.600000112L138 L160 Y162 I275 N276 E277 R283L138-A279 HydrophobicContact CD2-CB 4.31Å; L160-A279 HydrophobicContact CD2-CB 3.98Å; Y162-A279 HydrophobicContact CE1-CB 4.41Å; Y162-A279 WeakPolarHBondContact CE1-O 3.45Å; Y162-A279 PolarHBondContact OH-O 3.13Å; I275-A279 PolarHBondContact O-N 3.22Å; N276-A279 PolarHBondContact O-N 3.3Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.25Å; A279-R283 WeakPolarHBondContact O-CB 3.5Å; A279-R283 PolarHBondContact O-N 2.84Å
280M92.8Very high87.5Confident107 Ų10765.6 Ų65.653%0.52734%0.338SS..Hα-helixtrans-64.7-45.6178-70.4-173.5-62.500112.4N276 E277 R283 K284N276-M280 WeakPolarHBondContact O-CG 3.16Å; N276-M280 PolarHBondContact O-N 3.35Å; E277-M280 HydrophobicContact CB-CE 4.48Å; E277-M280 PolarHBondContact O-N 3.42Å; E277-M280 VanDerWaalsContact O-N 3.15Å; M280-R283 WeakPolarHBondContact O-CB 3.48Å; M280-R283 PolarHBondContact O-N 3.18Å; M280-K284 WeakPolarHBondContact O-CG 3.42Å; M280-K284 PolarHBondContact O-N 3.38Å
281E93.9Very high84.8Confident40 Ų4069.2 Ų69.219%0.18736%0.357CS..Hα-helixtrans-68.8-37.5179.4-69.1-53.8134.400112.1L236 L263 L265 E277 R283 K284 L285L236-E281 HydrophobicContact CD1-CB 4.04Å; L263-E281 HydrophobicContact CD2-CB 3.81Å; L263-E281 HydrophobicContact CD2-CG 3.93Å; L265-E281 HydrophobicContact CD1-CB 3.82Å; L265-E281 HydrophobicContact CD1-CG 3.92Å; L265-E281 HydrophobicContact CD2-CG 4.45Å; E277-E281 HydrophobicContact CG-CG 4.45Å; E277-E281 WeakPolarHBondContact O-CG 3.36Å; E277-E281 PolarHBondContact O-N 3.28Å; E281-R283 VanDerWaalsContact C-N 3.27Å; E281-R283 PolarHBondContact O-N 3.01Å; E281-K284 PolarHBondContact O-N 2.76Å; E281-K284 IonicContact OE1-NZ 3.17Å; E281-K284 PolarHBondContact OE1-NZ 3.09Å; E281-L285 WeakPolarHBondContact O-CB 3.44Å; E281-L285 PolarHBondContact O-N 3.43Å
282L91.9Very high84.5Confident0 Ų066.4 Ų66.40%035%0.346CS..Hα-helixtrans-59-41.7171.2179.154.7000111.5A121 L160 V170 L201 L278 L285 L286A121-L282 HydrophobicContact CB-CD1 3.91Å; A121-L282 HydrophobicContact CB-CD2 4.24Å; L160-L282 HydrophobicContact CD2-CD2 4.07Å; V170-L282 HydrophobicContact CG2-CD2 3.86Å; L201-L282 HydrophobicContact CD1-CD1 4.4Å; L201-L282 HydrophobicContact CD1-CD2 4.1Å; L201-L282 HydrophobicContact CD2-CD1 4.07Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 PolarHBondContact O-N 2.63Å; L282-L285 PolarHBondContact O-N 2.91Å; L282-L286 HydrophobicContact CD1-CD1 3.81Å; L282-L286 HydrophobicContact CD1-CG 4.23Å; L282-L286 HydrophobicContact CG-CD1 4.02Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 3.31Å
283R90.4Very high84.1Confident27 Ų2762.7 Ų62.710%0.10233%0.331CS..Hα-helixtrans-63.8-46.3177.1-179.358.9-172.3-75.4-27.8112.1Y162 D164 K166 L168 A279 M280 E281 L285 L286 D287Y162-R283 HydrophobicContact CD1-CB 4.35Å; Y162-R283 HydrophobicContact CD1-CG 4.32Å; Y162-R283 HydrophobicContact CE1-CB 3.6Å; Y162-R283 HydrophobicContact CE1-CG 4.03Å; D164-R283 IonicContact OD1-NH1 2.67Å; D164-R283 PolarHBondContact OD1-NH1 3.49Å; D164-R283 VanDerWaalsContact OD1-NH1 3.12Å; D164-R283 IonicContact OD2-CZ 2.72Å; D164-R283 VanDerWaalsContact OD2-CZ 3.28Å; D164-R283 IonicContact OD2-NH1 2.65Å; D164-R283 PolarHBondContact OD2-NH1 3.02Å; D164-R283 IonicContact OD2-NH2 2.87Å; D164-R283 PolarHBondContact OD2-NH2 2.78Å; K166-R283 VanDerWaalsContact CD-CZ 3.45Å; K166-R283 VanDerWaalsContact CD-NH2 3.31Å; L168-R283 HydrophobicContact CD1-CB 4.49Å; A279-R283 WeakPolarHBondContact O-CB 3.5Å; A279-R283 PolarHBondContact O-N 2.84Å; M280-R283 WeakPolarHBondContact O-CB 3.48Å; M280-R283 PolarHBondContact O-N 3.18Å; E281-R283 VanDerWaalsContact C-N 3.27Å; E281-R283 PolarHBondContact O-N 3.01Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 2.88Å; R283-L286 PolarHBondContact O-N 3.13Å; R283-D287 IonicContact CZ-OD1 3.99Å; R283-D287 IonicContact CZ-OD2 2.9Å; R283-D287 IonicContact NE-OD1 2.77Å; R283-D287 PolarHBondContact NE-OD1 2.8Å; R283-D287 IonicContact NE-OD2 3.8Å; R283-D287 PolarHBondContact NE-OD2 3.34Å; R283-D287 IonicContact NH2-OD1 3.28Å; R283-D287 IonicContact NH2-OD2 3.12Å; R283-D287 PolarHBondContact NH2-OD2 3.1Å; R283-D287 WeakPolarHBondContact O-CB 3.21Å; R283-D287 PolarHBondContact O-N 3.42Å
284K91Very high83.6Confident123 Ų12360.2 Ų60.254%0.53532%0.321SS..Hα-helixtrans-60-45.4176.7-70174.3-172.9170.10111.4M280 E281 L286 D287 S288M280-K284 WeakPolarHBondContact O-CG 3.42Å; M280-K284 PolarHBondContact O-N 3.38Å; E281-K284 PolarHBondContact O-N 2.76Å; E281-K284 IonicContact OE1-NZ 3.17Å; E281-K284 PolarHBondContact OE1-NZ 3.09Å; K284-L286 VanDerWaalsContact C-N 3.32Å; K284-L286 PolarHBondContact O-N 3.25Å; K284-D287 PolarHBondContact O-N 3.4Å; K284-S288 WeakPolarHBondContact O-CB 3.36Å; K284-S288 PolarHBondContact O-N 2.93Å
285L88.4Confident83.1Confident39 Ų3962.6 Ų62.620%0.20433%0.328CS..Hα-helixtrans-57.1-47.5177.6-171.376.7000110.4C199 P234 L236 E281 L282 R283 S288 Q289C199-L285 HydrophobicContact CB-CD2 3.88Å; P234-L285 HydrophobicContact CB-CD1 4.15Å; P234-L285 HydrophobicContact CB-CD2 4.14Å; P234-L285 HydrophobicContact CB-CG 4.12Å; L236-L285 HydrophobicContact CB-CD2 4.49Å; E281-L285 WeakPolarHBondContact O-CB 3.44Å; E281-L285 PolarHBondContact O-N 3.43Å; L282-L285 PolarHBondContact O-N 2.91Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 2.88Å; L285-S288 PolarHBondContact O-OG 3Å; L285-Q289 VanDerWaalsContact O-CG 3.31Å; L285-Q289 WeakPolarHBondContact O-CG 3.42Å
286L83.9Confident82.5Confident7 Ų765.8 Ų65.84%0.03735%0.345CS..Hα-helixtrans-74-37.1-178.2-72.7166.6000114H120 L168 V198 C199 L282 R283 K284 S288 Q289 C290H120-L286 HydrophobicContact CB-CD1 3.64Å; H120-L286 HydrophobicContact CB-CD2 4.1Å; L168-L286 HydrophobicContact CD1-CD1 3.48Å; L168-L286 VanDerWaalsContact CD1-CD1 3.48Å; L168-L286 HydrophobicContact CD2-CD1 3.99Å; L168-L286 HydrophobicContact CG-CD1 4.27Å; V198-L286 HydrophobicContact CB-CD2 4.1Å; V198-L286 HydrophobicContact CG1-CD2 4.09Å; C199-L286 HydrophobicContact CB-CD2 4.24Å; L282-L286 HydrophobicContact CD1-CD1 3.81Å; L282-L286 HydrophobicContact CD1-CG 4.23Å; L282-L286 HydrophobicContact CG-CD1 4.02Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 3.31Å; R283-L286 PolarHBondContact O-N 3.13Å; K284-L286 VanDerWaalsContact C-N 3.32Å; K284-L286 PolarHBondContact O-N 3.25Å; L286-S288 VanDerWaalsContact C-N 3.28Å; L286-S288 PolarHBondContact O-N 3.45Å; L286-Q289 PolarHBondContact O-N 3.47Å; L286-C290 PolarHBondContact O-N 3.43Å; L286-C290 PolarHBondContact O-SG 2.97Å; L286-C290 VanDerWaalsContact O-SG 3.33Å
287D83.4Confident81.9Confident55 Ų5561.4 Ų61.429%0.29432%0.321SS..Hα-helixtrans-64.8-35.9175.8-79.2-11.8000110.4K166 R283 K284 Q289 C290K166-D287 IonicContact NZ-OD1 2.78Å; K166-D287 IonicContact NZ-OD2 2.99Å; R283-D287 IonicContact CZ-OD1 3.99Å; R283-D287 IonicContact CZ-OD2 2.9Å; R283-D287 IonicContact NE-OD1 2.77Å; R283-D287 PolarHBondContact NE-OD1 2.8Å; R283-D287 IonicContact NE-OD2 3.8Å; R283-D287 PolarHBondContact NE-OD2 3.34Å; R283-D287 IonicContact NH2-OD1 3.28Å; R283-D287 IonicContact NH2-OD2 3.12Å; R283-D287 PolarHBondContact NH2-OD2 3.1Å; R283-D287 WeakPolarHBondContact O-CB 3.21Å; R283-D287 PolarHBondContact O-N 3.42Å; K284-D287 PolarHBondContact O-N 3.4Å; D287-Q289 PolarHBondContact O-N 3.11Å; D287-C290 PolarHBondContact O-N 3.34Å
288S78.3Confident81Confident63 Ų6358.8 Ų58.844%0.44131%0.311SS..Hα-helixtrans-63.9-20.2175.377.20000114.4K284 L285 L286K284-S288 WeakPolarHBondContact O-CB 3.36Å; K284-S288 PolarHBondContact O-N 2.93Å; L285-S288 PolarHBondContact O-OG 3Å; L286-S288 VanDerWaalsContact C-N 3.28Å; L286-S288 PolarHBondContact O-N 3.45Å
289Q66.7Low80Confident65 Ų6563.3 Ų63.330%0.30434%0.335SS..Hα-helixtrans-96.9-13.9-179.5-59.8-63.9-51.600112.7R35 P234 L285 L286 D287R35-Q289 PolarHBondContact NH1-O 3.34Å; P234-Q289 HydrophobicContact CB-CG 4.36Å; P234-Q289 HydrophobicContact CG-CG 3.7Å; L285-Q289 VanDerWaalsContact O-CG 3.31Å; L285-Q289 WeakPolarHBondContact O-CG 3.42Å; L286-Q289 PolarHBondContact O-N 3.47Å; D287-Q289 PolarHBondContact O-N 3.11Å
290C52Low78.9Confident74 Ų7467.1 Ų67.150%0.535%0.35SS..Hα-helixtrans-89.9-11.3178.2-67.70000113.1L286 D287L286-C290 PolarHBondContact O-N 3.43Å; L286-C290 PolarHBondContact O-SG 2.97Å; L286-C290 VanDerWaalsContact O-SG 3.33Å; D287-C290 PolarHBondContact O-N 3.34Å
291L34.1Very low77.6Confident205 Ų20563.5 Ų63.5100%1.07333%0.334SS*.  trans-87.90171-68.8169.6000110.1

Retrieved 291 of 291 residues in 181.6 ms (Link to these results)