A0A077ZPK1_TRITR Loading...

guanylate kinase

AlphaFold DB , UniProt , Accession A0A077ZPK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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
1M60.4Low89.9Confident192 Ų19232.1 Ų32.195%0.94617%0.172SC*.  0130.50-170.5177.9-87.100107.1Q90M1-Q90 HydrophobicContact CE-CB 4.34Å; M1-Q90 HydrophobicContact SD-CB 4.23Å; M1-Q90 HydrophobicContact SD-CG 4.29Å
2S81.4Confident89.9Confident62 Ų6231.3 Ų31.343%0.43418%0.177SC..PPolyproline II helixtrans-68.9138.2-177.551.90000111.3R95S2-R95 WeakPolarHBondContact OG-CG 3.46Å
3R89.7Confident90.2Very high57 Ų5728.8 Ų28.822%0.21516%0.163CC..PPolyproline II helixtrans-54.1135.3174.3-69.5167.665.1-162.4-0.7110.2R95 N114 P115 I116 E188R3-R95 PolarHBondContact O-NE 3.22Å; R3-R95 PolarHBondContact O-NH2 3.32Å; R3-N114 PolarHBondContact NE-O 3.32Å; R3-P115 PolarHBondContact NH2-O 3.27Å; R3-I116 HydrophobicContact CB-CG1 4.39Å; R3-I116 VanDerWaalsContact CZ-CG1 3.49Å; R3-E188 IonicContact NH1-OE2 2.77Å
4P94.1Very high90.5Very high5 Ų527.6 Ų27.63%0.03216%0.16CC..PPolyproline II helixtrans-62.1156.1172.626.7-30.5000110C96 L98 L113 P115 I116P4-C96 WeakPolarHBondContact CA-O 3.17Å; P4-L98 HydrophobicContact CB-CD1 3.91Å; P4-L113 VanDerWaalsContact CD-O 3.23Å; P4-L113 WeakPolarHBondContact CD-O 3.26Å; P4-L113 HydrophobicContact CG-CB 3.9Å; P4-L113 WeakPolarHBondContact CG-O 3.46Å; P4-P115 HydrophobicContact CG-CB 4.37Å; P4-P115 CarbonylContact O-C 3.55Å; P4-P115 VanDerWaalsContact O-CA 3.25Å; P4-P115 WeakPolarHBondContact O-CA 3.43Å; P4-I116 PolarHBondContact O-N 3.22Å
5V96.3Very high90.8Very high2 Ų226.9 Ų26.91%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-113.7134.7178-1790000108.4R95 C96 I97 L98 I116 I118 L184V5-R95 HydrophobicContact CG2-CG 4.49Å; V5-R95 VanDerWaalsContact CG2-CZ 3.43Å; V5-R95 VanDerWaalsContact CG2-NE 3.33Å; V5-C96 PolarHBondContact N-O 2.74Å; V5-I97 HydrophobicContact CB-CG1 4.41Å; V5-I97 CarbonylContact O-C 3.6Å; V5-I97 VanDerWaalsContact O-CA 3.25Å; V5-I97 WeakPolarHBondContact O-CA 3.15Å; V5-L98 PolarHBondContact O-N 3.08Å; V5-I116 CarbonylContact C-O 3.58Å; V5-I116 WeakPolarHBondContact CA-O 3.29Å; V5-I116 HydrophobicContact CG2-CB 4.44Å; V5-I118 HydrophobicContact CG1-CD1 3.92Å; V5-I118 HydrophobicContact CG1-CG1 4.36Å; V5-L184 HydrophobicContact CB-CD2 4.12Å; V5-L184 HydrophobicContact CG1-CD2 3.9Å; V5-L184 HydrophobicContact CG2-CD2 3.58Å
6V97.1Very high90.9Very high0 Ų030.6 Ų30.60%018%0.182CC..EExtended strand (participates in β ladder)trans-104.7118171172.20000106.8L98 I100 V105 V108 P115 I116 C117 I118V6-L98 WeakPolarHBondContact CA-O 3.36Å; V6-L98 HydrophobicContact CG2-CB 4.15Å; V6-L98 HydrophobicContact CG2-CD1 4.23Å; V6-I100 HydrophobicContact CG1-CD1 3.78Å; V6-I100 HydrophobicContact CG1-CG1 3.66Å; V6-I100 HydrophobicContact CG2-CD1 4.29Å; V6-V105 HydrophobicContact CG1-CG2 3.85Å; V6-V108 HydrophobicContact CG2-CB 4.5Å; V6-V108 HydrophobicContact CG2-CG1 3.98Å; V6-P115 HydrophobicContact CG2-CB 3.77Å; V6-P115 HydrophobicContact CG2-CG 4.32Å; V6-I116 PolarHBondContact N-O 3.43Å; V6-C117 HydrophobicContact CB-CB 4.4Å; V6-I118 PolarHBondContact O-N 2.8Å
7L97.8Very high91.1Very high1 Ų133.2 Ų33.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-102.4109.3168.7-174.266.6000107.8K15 I18 L19 I97 L98 I100 I118 L120 L180L7-K15 HydrophobicContact CD2-CB 4.29Å; L7-K15 HydrophobicContact CD2-CG 4.28Å; L7-K15 HydrophobicContact CG-CD 4.44Å; L7-K15 HydrophobicContact CG-CG 4.36Å; L7-I18 HydrophobicContact CD2-CG2 3.75Å; L7-L19 HydrophobicContact CD2-CD1 4.19Å; L7-L19 HydrophobicContact CD2-CD2 3.79Å; L7-L19 HydrophobicContact CD2-CG 3.86Å; L7-I97 HydrophobicContact CB-CG2 4.37Å; L7-L98 PolarHBondContact N-O 3.44Å; L7-I100 PolarHBondContact O-N 3.16Å; L7-I118 HydrophobicContact CD1-CB 4.14Å; L7-I118 HydrophobicContact CD1-CG2 4.01Å; L7-L120 HydrophobicContact CD1-CB 4.05Å; L7-L180 HydrophobicContact CD1-CD1 4.38Å
8S97.1Very high91.4Very high1 Ų131.4 Ų31.41%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-116.1151.5-176.4159.90000111.6I100 V105 I118 L119 L120S8-I100 WeakPolarHBondContact CA-O 3.4Å; S8-I100 WeakPolarHBondContact CB-O 3.42Å; S8-I100 PolarHBondContact OG-O 2.73Å; S8-V105 VanDerWaalsContact CB-CG2 3.43Å; S8-V105 WeakPolarHBondContact OG-CG2 3.23Å; S8-I118 PolarHBondContact N-O 2.87Å; S8-L119 CarbonylContact O-C 3.59Å; S8-L119 WeakPolarHBondContact O-CA 3.45Å; S8-L120 PolarHBondContact O-N 3.35Å
9G95.4Very high91.7Very high4 Ų430.1 Ų30.14%0.04118%0.18CC..  trans165.6166.3177.900000111.2K15 L120G9-K15 PolarHBondContact O-NZ 2.65Å; G9-L120 WeakPolarHBondContact CA-O 3.16Å
10P93.3Very high91.9Very high2 Ų234.5 Ų34.51%0.01320%0.198CC..  trans-66.3156.1-178.226.9-33.4000112.2G12 C13 K15 P122 L128 A150 L154P10-G12 PolarHBondContact O-N 3.07Å; P10-C13 HydrophobicContact CG-CB 4.08Å; P10-C13 PolarHBondContact O-N 3.45Å; P10-C13 VanDerWaalsContact O-N 3.16Å; P10-C13 PolarHBondContact O-SG 3.42Å; P10-K15 PolarHBondContact O-NZ 3.11Å; P10-P122 HydrophobicContact CG-CG 4.35Å; P10-L128 HydrophobicContact CB-CD2 4.32Å; P10-L128 HydrophobicContact CG-CD2 4.31Å; P10-A150 HydrophobicContact CB-CB 3.49Å; P10-A150 VanDerWaalsContact CB-CB 3.49Å; P10-A150 HydrophobicContact CG-CB 4.34Å; P10-L154 HydrophobicContact CG-CD1 4.38Å; P10-L154 HydrophobicContact CG-CD2 4.13Å; P10-L154 HydrophobicContact CG-CG 4.17Å
11S86.8Confident92.1Very high27 Ų2736.3 Ų36.319%0.18920%0.202CC..THydrogen-bonded Turntrans-54129.6169.7167.30000110L128S11-L128 WeakPolarHBondContact O-CD1 3.36Å
12G89.2Confident93.9Very high22 Ų2227.1 Ų27.123%0.22716%0.157CC..THydrogen-bonded Turntrans93.4-4.8-179.600000115P10 G14 R131P10-G12 PolarHBondContact O-N 3.07Å; G12-G14 PolarHBondContact O-N 2.88Å; G12-R131 WeakPolarHBondContact O-CD 3.38Å
13C94.5Very high94.6Very high0 Ų026.9 Ų26.90%015%0.15CC..SBendtrans-73.9-7.8177.571.40000114.4P10 K15 L120 P122 R131 N170P10-C13 HydrophobicContact CG-CB 4.08Å; P10-C13 PolarHBondContact O-N 3.45Å; P10-C13 VanDerWaalsContact O-N 3.16Å; P10-C13 PolarHBondContact O-SG 3.42Å; C13-K15 VanDerWaalsContact SG-CG 3.57Å; C13-L120 PolarHBondContact SG-O 2.82Å; C13-P122 HydrophobicContact CB-CB 4.4Å; C13-R131 PolarHBondContact O-NH1 3.47Å; C13-N170 WeakPolarHBondContact O-CB 3.3Å; C13-N170 PolarHBondContact O-ND2 2.88Å
14G94.1Very high94.9Very high12 Ų1230.6 Ų30.612%0.12417%0.17CC..SBendtrans106.99.5174.100000116.4G12 S16 T17 I18G12-G14 PolarHBondContact O-N 2.88Å; G14-S16 PolarHBondContact O-N 3.41Å; G14-T17 PolarHBondContact O-N 2.86Å; G14-I18 PolarHBondContact O-N 3.24Å
15K95.1Very high95.1Very high16 Ų1634.6 Ų34.67%0.0719%0.188CC..Hα-helixtrans-52.5-49.8179.3-59.6-171.8-56.1-73.70113.6L7 G9 P10 C13 T17 I18 L19 D99 L120L7-K15 HydrophobicContact CD2-CB 4.29Å; L7-K15 HydrophobicContact CD2-CG 4.28Å; L7-K15 HydrophobicContact CG-CD 4.44Å; L7-K15 HydrophobicContact CG-CG 4.36Å; G9-K15 PolarHBondContact O-NZ 2.65Å; P10-K15 PolarHBondContact O-NZ 3.11Å; C13-K15 VanDerWaalsContact SG-CG 3.57Å; K15-T17 VanDerWaalsContact C-N 3.3Å; K15-T17 PolarHBondContact O-N 3.42Å; K15-I18 VanDerWaalsContact O-CG2 3.23Å; K15-I18 WeakPolarHBondContact O-CG2 3.31Å; K15-I18 PolarHBondContact O-N 3.12Å; K15-L19 VanDerWaalsContact O-CB 3.27Å; K15-L19 WeakPolarHBondContact O-CB 3.49Å; K15-L19 WeakPolarHBondContact O-CG 3.43Å; K15-L19 PolarHBondContact O-N 2.87Å; K15-D99 WeakPolarHBondContact CD-OD1 3.19Å; K15-D99 WeakPolarHBondContact CE-OD1 3.33Å; K15-L120 HydrophobicContact CG-CD2 3.92Å
16S92.4Very high95.1Very high86 Ų8638.3 Ų38.360%0.60120%0.203SC*.Hα-helixtrans-62.3-39.3-178-470000112G14 Q20G14-S16 PolarHBondContact O-N 3.41Å; S16-Q20 VanDerWaalsContact O-CB 3.23Å; S16-Q20 WeakPolarHBondContact O-CB 3.43Å; S16-Q20 PolarHBondContact O-N 3.18Å
17T94Very high95Very high75 Ų7541.3 Ų41.346%0.4622%0.222SC..Hα-helixtrans-66.8-48.3178.8-51.30000112.1G14 K15 L19 Q20 R21 M173G14-T17 PolarHBondContact O-N 2.86Å; K15-T17 VanDerWaalsContact C-N 3.3Å; K15-T17 PolarHBondContact O-N 3.42Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.14Å; T17-Q20 PolarHBondContact O-N 2.7Å; T17-R21 PolarHBondContact O-N 3.13Å; T17-R21 VanDerWaalsContact O-N 3.12Å; T17-M173 HydrophobicContact CG2-CE 3.64Å; T17-M173 HydrophobicContact CG2-CG 4.4Å; T17-M173 HydrophobicContact CG2-SD 3.91Å
18I97Very high94.9Very high1 Ų147.5 Ų47.51%0.00526%0.255CS..Hα-helixtrans-66.1-37.3-179.2-159.7172.2000111.2L7 G14 K15 L22 L120 M173 A176 Y177 L180L7-I18 HydrophobicContact CD2-CG2 3.75Å; G14-I18 PolarHBondContact O-N 3.24Å; K15-I18 VanDerWaalsContact O-CG2 3.23Å; K15-I18 WeakPolarHBondContact O-CG2 3.31Å; K15-I18 PolarHBondContact O-N 3.12Å; I18-L22 WeakPolarHBondContact O-CB 3.44Å; I18-L22 PolarHBondContact O-N 3.18Å; I18-L120 HydrophobicContact CG2-CD2 4.19Å; I18-M173 HydrophobicContact CB-SD 4.25Å; I18-A176 HydrophobicContact CD1-CB 4.21Å; I18-Y177 HydrophobicContact CG1-CD2 3.78Å; I18-Y177 HydrophobicContact CG1-CG 4.46Å; I18-L180 HydrophobicContact CD1-CB 4.06Å; I18-L180 HydrophobicContact CD1-CD2 3.8Å; I18-L180 HydrophobicContact CG1-CD2 3.85Å; I18-L180 HydrophobicContact CG2-CD2 4.35Å
19L96.6Very high94.8Very high7 Ų752.6 Ų52.64%0.03728%0.279CS..Hα-helixtrans-71.2-41.6176.8-68.8175.8000112.3L7 K15 T17 R21 L22 L23 V32 I97 D99L7-L19 HydrophobicContact CD2-CD1 4.19Å; L7-L19 HydrophobicContact CD2-CD2 3.79Å; L7-L19 HydrophobicContact CD2-CG 3.86Å; K15-L19 VanDerWaalsContact O-CB 3.27Å; K15-L19 WeakPolarHBondContact O-CB 3.49Å; K15-L19 WeakPolarHBondContact O-CG 3.43Å; K15-L19 PolarHBondContact O-N 2.87Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.14Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.3Å; L19-L22 WeakPolarHBondContact O-CB 3.16Å; L19-L22 PolarHBondContact O-N 2.88Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.36Å; L19-V32 HydrophobicContact CB-CG2 4.03Å; L19-V32 HydrophobicContact CD1-CG1 4.37Å; L19-V32 HydrophobicContact CD1-CG2 3.98Å; L19-V32 HydrophobicContact CD2-CG2 3.99Å; L19-V32 HydrophobicContact CG-CG2 4.22Å; L19-I97 HydrophobicContact CD2-CD1 4.22Å; L19-I97 HydrophobicContact CD2-CG2 3.65Å; L19-D99 HydrophobicContact CD1-CB 3.83Å
20Q95.3Very high94.8Very high117 Ų11753.4 Ų53.455%0.54728%0.281SS..Hα-helixtrans-57.8-45.7175.7-177.7-18014.100110.8S16 T17 L23 Q24S16-Q20 VanDerWaalsContact O-CB 3.23Å; S16-Q20 WeakPolarHBondContact O-CB 3.43Å; S16-Q20 PolarHBondContact O-N 3.18Å; T17-Q20 PolarHBondContact O-N 2.7Å; Q20-L23 PolarHBondContact O-N 3.39Å; Q20-Q24 VanDerWaalsContact O-CG 3.3Å; Q20-Q24 WeakPolarHBondContact O-CG 3.38Å; Q20-Q24 PolarHBondContact O-N 3.11Å
21R97.4Very high94.9Very high73 Ų7354.2 Ų54.228%0.27529%0.288SS..Hα-helixtrans-61.7-45.4175.5-175.8179.9176.5171.33.3112T17 L19 L23 Q24 E25 D174 Y177T17-R21 PolarHBondContact O-N 3.13Å; T17-R21 VanDerWaalsContact O-N 3.12Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.3Å; R21-L23 VanDerWaalsContact C-N 3.32Å; R21-L23 PolarHBondContact O-N 3.35Å; R21-Q24 PolarHBondContact O-N 3.45Å; R21-Q24 VanDerWaalsContact O-N 3.15Å; R21-E25 IonicContact CZ-OE1 3.57Å; R21-E25 IonicContact NE-OE1 2.89Å; R21-E25 PolarHBondContact NE-OE1 2.92Å; R21-E25 IonicContact NH2-OE1 3.74Å; R21-E25 PolarHBondContact O-N 3.4Å; R21-D174 IonicContact CZ-OD1 3.22Å; R21-D174 IonicContact NH1-OD1 3.29Å; R21-D174 PolarHBondContact NH1-OD1 3.39Å; R21-D174 IonicContact NH2-OD1 3.09Å; R21-D174 PolarHBondContact NH2-OD1 2.92Å; R21-Y177 HydrophobicContact CB-CD2 4.31Å; R21-Y177 HydrophobicContact CB-CE2 4.04Å; R21-Y177 HydrophobicContact CG-CD2 4.13Å; R21-Y177 HydrophobicContact CG-CE1 4.18Å; R21-Y177 HydrophobicContact CG-CE2 3.75Å; R21-Y177 VanDerWaalsContact NE-CD1 3.28Å; R21-Y177 VanDerWaalsContact NE-CE1 3.28Å
22L97.3Very high95.4Very high0 Ų054.4 Ų54.40%029%0.288CS..Hα-helixtrans-57-44.9177.3-175.772.3000112.2I18 L19 Q24 E25 Y26 Y30 I97 Y177 L184I18-L22 WeakPolarHBondContact O-CB 3.44Å; I18-L22 PolarHBondContact O-N 3.18Å; L19-L22 WeakPolarHBondContact O-CB 3.16Å; L19-L22 PolarHBondContact O-N 2.88Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-Q24 PolarHBondContact O-N 3.38Å; L22-E25 PolarHBondContact O-N 3.22Å; L22-Y26 HydrophobicContact CD1-CD2 3.82Å; L22-Y26 HydrophobicContact CD1-CE2 4.35Å; L22-Y26 PolarHBondContact O-N 3.12Å; L22-Y30 HydrophobicContact CD1-CD2 4.09Å; L22-Y30 HydrophobicContact CD1-CE2 4.11Å; L22-Y30 HydrophobicContact CD2-CD2 4.37Å; L22-Y30 HydrophobicContact CD2-CG 4.16Å; L22-Y30 HydrophobicContact CG-CD2 4.1Å; L22-Y30 HydrophobicContact CG-CG 4.35Å; L22-I97 HydrophobicContact CD2-CD1 3.19Å; L22-Y177 HydrophobicContact CB-CE2 4.02Å; L22-Y177 HydrophobicContact CD1-CE2 4.28Å; L22-L184 HydrophobicContact CD1-CD1 3.84Å; L22-L184 HydrophobicContact CD2-CD1 3.58Å; L22-L184 HydrophobicContact CG-CD1 4.39Å
23L95.7Very high95.6Very high57 Ų5753.4 Ų53.430%0.29828%0.277SS..Hα-helixtrans-71.2-26.1179.6-64.8-177.7000113.1L19 Q20 R21 P27 Y30 V32L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.36Å; Q20-L23 PolarHBondContact O-N 3.39Å; R21-L23 VanDerWaalsContact C-N 3.32Å; R21-L23 PolarHBondContact O-N 3.35Å; L23-P27 VanDerWaalsContact O-CA 3.31Å; L23-P27 WeakPolarHBondContact O-CA 3.4Å; L23-P27 WeakPolarHBondContact O-CB 3.37Å; L23-Y30 WeakPolarHBondContact CD2-O 3.4Å; L23-V32 HydrophobicContact CD1-CB 4.17Å; L23-V32 HydrophobicContact CD1-CG2 3.79Å; L23-V32 HydrophobicContact CD2-CG2 4.31Å; L23-V32 HydrophobicContact CG-CG2 4.21Å
24Q96.9Very high95.7Very high134 Ų13455.3 Ų55.363%0.62629%0.287SS*.Hα-helixtrans-72.8-42.1172.9-75.2172.1-6.300112Q20 R21 L22Q20-Q24 VanDerWaalsContact O-CG 3.3Å; Q20-Q24 WeakPolarHBondContact O-CG 3.38Å; Q20-Q24 PolarHBondContact O-N 3.11Å; R21-Q24 PolarHBondContact O-N 3.45Å; R21-Q24 VanDerWaalsContact O-N 3.15Å; L22-Q24 VanDerWaalsContact C-N 3.31Å; L22-Q24 PolarHBondContact O-N 3.38Å
25E97.2Very high95.7Very high90 Ų9055.2 Ų55.242%0.42129%0.285SS..Hα-helixtrans-79.5-31.6-178.3-68.2-172.4-149.700112.7R21 L22 P27 Y177R21-E25 IonicContact CZ-OE1 3.57Å; R21-E25 IonicContact NE-OE1 2.89Å; R21-E25 PolarHBondContact NE-OE1 2.92Å; R21-E25 IonicContact NH2-OE1 3.74Å; R21-E25 PolarHBondContact O-N 3.4Å; L22-E25 PolarHBondContact O-N 3.22Å; E25-P27 VanDerWaalsContact C-CD 3.45Å; E25-Y177 WeakPolarHBondContact OE1-CE1 3.43Å; E25-Y177 PolarHBondContact OE1-OH 3.1Å; E25-Y177 PolarHBondContact OE2-OH 3.18Å; E25-Y177 VanDerWaalsContact OE2-OH 3.05Å
26Y96.3Very high95.8Very high80 Ų8056.2 Ų56.231%0.31429%0.29SS..  trans-132.353.6-174-56-80.7000113.2L22 D28 Q29 Y30 Y177L22-Y26 HydrophobicContact CD1-CD2 3.82Å; L22-Y26 HydrophobicContact CD1-CE2 4.35Å; L22-Y26 PolarHBondContact O-N 3.12Å; Y26-D28 PolarHBondContact O-N 2.85Å; Y26-D28 VanDerWaalsContact O-N 3.14Å; Y26-Q29 PolarHBondContact O-N 3.49Å; Y26-Q29 VanDerWaalsContact O-N 3.12Å; Y26-Y30 VanDerWaalsContact CB-CD2 3.47Å; Y26-Y30 HydrophobicContact CD2-CE2 4.3Å; Y26-Y30 HydrophobicContact CG-CD2 4.2Å; Y26-Y30 AromaticContact CG-CE2 3.93Å; Y26-Y30 HydrophobicContact CG-CE2 3.93Å; Y26-Y30 PolarHBondContact O-N 3.4Å; Y26-Y177 WeakPolarHBondContact CE2-OH 3.38Å
27P95.7Very high96.1Very high62 Ų6252.1 Ų52.140%0.40326%0.261SS..THydrogen-bonded Turntrans-62.1-26.5-172.725.5-35.5000113.6L23 E25 K94L23-P27 VanDerWaalsContact O-CA 3.31Å; L23-P27 WeakPolarHBondContact O-CA 3.4Å; L23-P27 WeakPolarHBondContact O-CB 3.37Å; E25-P27 VanDerWaalsContact C-CD 3.45Å; P27-K94 WeakPolarHBondContact O-CE 3.32Å; P27-K94 PolarHBondContact O-NZ 3.32Å
28D95.3Very high96.3Very high131 Ų13149.5 Ų49.570%0.70125%0.245SC*.THydrogen-bonded Turntrans-91.1-10.6-178.2-63.1-40.7000113.8Y26Y26-D28 PolarHBondContact O-N 2.85Å; Y26-D28 VanDerWaalsContact O-N 3.14Å
29Q95Very high96.2Very high109 Ų10950.4 Ų50.451%0.50925%0.248SC..THydrogen-bonded Turntrans-105.2-36.4-175.7-58.9-175.838.100112.6Y26 R95Y26-Q29 PolarHBondContact O-N 3.49Å; Y26-Q29 VanDerWaalsContact O-N 3.12Å; Q29-R95 PolarHBondContact O-N 2.9Å
30Y95.9Very high96.1Very high20 Ų2059 Ų598%0.07829%0.285CS..EExtended strand (participates in β ladder)trans-122.2152.5-176.2-52.3-83.6000111.4L22 L23 Y26 R95 I97 L184L22-Y30 HydrophobicContact CD1-CD2 4.09Å; L22-Y30 HydrophobicContact CD1-CE2 4.11Å; L22-Y30 HydrophobicContact CD2-CD2 4.37Å; L22-Y30 HydrophobicContact CD2-CG 4.16Å; L22-Y30 HydrophobicContact CG-CD2 4.1Å; L22-Y30 HydrophobicContact CG-CG 4.35Å; L23-Y30 WeakPolarHBondContact CD2-O 3.4Å; Y26-Y30 VanDerWaalsContact CB-CD2 3.47Å; Y26-Y30 HydrophobicContact CD2-CE2 4.3Å; Y26-Y30 HydrophobicContact CG-CD2 4.2Å; Y26-Y30 AromaticContact CG-CE2 3.93Å; Y26-Y30 HydrophobicContact CG-CE2 3.93Å; Y26-Y30 PolarHBondContact O-N 3.4Å; Y30-R95 HydrophobicContact CD1-CB 3.93Å; Y30-R95 HydrophobicContact CD1-CG 4.44Å; Y30-R95 HydrophobicContact CE1-CB 4.32Å; Y30-I97 HydrophobicContact CD1-CD1 4.01Å; Y30-I97 HydrophobicContact CG-CD1 4.2Å; Y30-L184 HydrophobicContact CD1-CD1 4.4Å; Y30-L184 HydrophobicContact CE1-CB 4.09Å; Y30-L184 HydrophobicContact CE1-CD1 3.95Å; Y30-L184 HydrophobicContact CE1-CD2 4.41Å; Y30-L184 HydrophobicContact CE1-CG 4.39Å
31A96.1Very high96Very high19 Ų1956.8 Ų56.816%0.15728%0.281CS..EExtended strand (participates in β ladder)trans-144.8141.6165.100000109.3I89 K94 R95 C96 I97A31-I89 HydrophobicContact CB-CB 4.38Å; A31-I89 HydrophobicContact CB-CD1 3.74Å; A31-I89 HydrophobicContact CB-CG1 3.72Å; A31-I89 HydrophobicContact CB-CG2 3.77Å; A31-K94 HydrophobicContact CB-CB 4.36Å; A31-K94 HydrophobicContact CB-CD 4.06Å; A31-R95 PolarHBondContact N-O 3.39Å; A31-C96 WeakPolarHBondContact O-CA 3.37Å; A31-I97 PolarHBondContact O-N 3.47Å
32V95.7Very high95.8Very high32 Ų3255.8 Ų55.819%0.19428%0.277CS..EExtended strand (participates in β ladder)trans-86.8128.1173.9175.70000108.6L19 L23 I34 I97 D99L19-V32 HydrophobicContact CB-CG2 4.03Å; L19-V32 HydrophobicContact CD1-CG1 4.37Å; L19-V32 HydrophobicContact CD1-CG2 3.98Å; L19-V32 HydrophobicContact CD2-CG2 3.99Å; L19-V32 HydrophobicContact CG-CG2 4.22Å; L23-V32 HydrophobicContact CD1-CB 4.17Å; L23-V32 HydrophobicContact CD1-CG2 3.79Å; L23-V32 HydrophobicContact CD2-CG2 4.31Å; L23-V32 HydrophobicContact CG-CG2 4.21Å; V32-I34 PolarHBondContact O-N 3.07Å; V32-I97 CarbonylContact C-O 3.58Å; V32-I97 WeakPolarHBondContact CA-O 3.46Å; V32-I97 HydrophobicContact CG2-CB 4.21Å; V32-I97 HydrophobicContact CG2-CG2 4.5Å; V32-D99 HydrophobicContact CG1-CB 4.31Å
33C95Very high95.5Very high1 Ų161.4 Ų61.41%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-66113.6173.9-790000108.4S35 T81 V86 I89 C96 I97 L98C33-S35 PolarHBondContact O-N 3.48Å; C33-T81 HydrophobicContact CB-CG2 4.25Å; C33-V86 VanDerWaalsContact SG-CA 3.57Å; C33-I89 HydrophobicContact CB-CD1 4.12Å; C33-I89 WeakPolarHBondContact SG-CD1 3.45Å; C33-C96 WeakPolarHBondContact CB-SG 3.41Å; C33-C96 WeakPolarHBondContact SG-CB 3.33Å; C33-C96 CovalentContact SG-SG 2.08Å; C33-C96 PolarHBondContact SG-SG 2.67Å; C33-I97 PolarHBondContact N-O 2.92Å; C33-L98 HydrophobicContact CB-CG 4.46Å
34I94.7Very high95.3Very high39 Ų3962.2 Ų62.220%0.234%0.335CS..PPolyproline II helixtrans-73.7119.7-179.1-55.6179.7000108.4V32 G48 Y52 S85V32-I34 PolarHBondContact O-N 3.07Å; I34-G48 WeakPolarHBondContact CD1-O 3.25Å; I34-Y52 HydrophobicContact CB-CD2 4.15Å; I34-Y52 HydrophobicContact CB-CE2 3.8Å; I34-Y52 HydrophobicContact CG2-CD2 3.72Å; I34-Y52 HydrophobicContact CG2-CE2 3.78Å; I34-Y52 HydrophobicContact CG2-CG 4.37Å; I34-S85 PolarHBondContact N-OG 2.88Å; I34-S85 VanDerWaalsContact N-OG 3.1Å; I34-S85 PolarHBondContact O-OG 2.95Å
35S95.5Very high95.2Very high11 Ų1157.6 Ų57.68%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-82.7159.7179.3-59.80000111.6C33 Y51 Y52 G80 T81C33-S35 PolarHBondContact O-N 3.48Å; S35-Y51 CarbonylContact O-C 3.58Å; S35-Y51 VanDerWaalsContact O-CA 3.26Å; S35-Y51 WeakPolarHBondContact O-CA 3.3Å; S35-Y51 WeakPolarHBondContact O-CD1 3.47Å; S35-Y52 PolarHBondContact O-N 3.38Å; S35-G80 CarbonylContact C-O 3.58Å; S35-G80 WeakPolarHBondContact CA-O 3.49Å; S35-T81 PolarHBondContact OG-OG1 3.28Å
36H97.5Very high95.1Very high37 Ų3760.9 Ų60.917%0.17132%0.322CS..EExtended strand (participates in β ladder)trans-92.2151.4170.2-61.665000109.7Y52 T54 M59 F68 Y79 G80 S82H36-Y52 CarbonylContact C-O 3.57Å; H36-Y52 VanDerWaalsContact CA-O 3.26Å; H36-Y52 WeakPolarHBondContact CA-O 3.19Å; H36-Y52 WeakPolarHBondContact CD2-CB 3.23Å; H36-Y52 AromaticContact CE1-CD2 3.56Å; H36-Y52 AromaticContact NE2-CD2 3.7Å; H36-Y52 AromaticContact NE2-CG 3.8Å; H36-T54 HydrophobicContact CB-CG2 4.31Å; H36-M59 HydrophobicContact CB-CE 4.06Å; H36-M59 HydrophobicContact CB-SD 4.18Å; H36-F68 HydrophobicContact CB-CE1 3.87Å; H36-F68 HydrophobicContact CB-CZ 3.89Å; H36-F68 AromaticContact CG-CE1 3.86Å; H36-F68 AromaticContact CG-CZ 3.67Å; H36-F68 AromaticContact ND1-CE1 3.76Å; H36-F68 AromaticContact ND1-CZ 3.83Å; H36-Y79 WeakPolarHBondContact O-CA 3.47Å; H36-G80 PolarHBondContact N-O 3.18Å; H36-G80 PolarHBondContact O-N 3.17Å; H36-G80 VanDerWaalsContact O-N 3.12Å; H36-S82 PolarHBondContact CE1-OG 2.95Å
37T97.1Very high95.2Very high0 Ų062.8 Ų62.80%033%0.334CS..EExtended strand (participates in β ladder)trans-151150.9169.2-1720000112.3R39 Y51 Y52 F53 T54 L78 Y79T37-R39 HydrophobicContact CG2-CG 3.68Å; T37-R39 WeakPolarHBondContact OG1-CG 3.46Å; T37-R39 PolarHBondContact OG1-N 2.72Å; T37-Y51 HydrophobicContact CG2-CD1 3.74Å; T37-Y51 HydrophobicContact CG2-CD2 4.3Å; T37-Y51 HydrophobicContact CG2-CG 3.63Å; T37-Y52 PolarHBondContact N-O 3.22Å; T37-F53 HydrophobicContact CG2-CD1 3.56Å; T37-F53 HydrophobicContact CG2-CE1 3.72Å; T37-F53 WeakPolarHBondContact O-CA 3.48Å; T37-T54 PolarHBondContact O-N 2.93Å; T37-L78 CarbonylContact C-O 3.6Å; T37-L78 WeakPolarHBondContact CA-O 3.22Å; T37-L78 PolarHBondContact OG1-O 2.93Å; T37-Y79 VanDerWaalsContact OG1-CD1 3.29Å; T37-Y79 WeakPolarHBondContact OG1-CD1 3.23Å; T37-Y79 WeakPolarHBondContact OG1-CE1 3.27Å
38T98Very high95.1Very high20 Ų2060.8 Ų60.812%0.12332%0.324CS..  trans-960.317573.30000113.4T54 K56 M59 N77 L78T38-T54 WeakPolarHBondContact CA-O 3.46Å; T38-T54 HydrophobicContact CG2-CG2 4.39Å; T38-K56 HydrophobicContact CG2-CB 4.36Å; T38-K56 HydrophobicContact CG2-CG 3.86Å; T38-M59 HydrophobicContact CG2-CB 4.09Å; T38-M59 HydrophobicContact CG2-SD 3.77Å; T38-N77 PolarHBondContact O-OD1 3.09Å; T38-N77 WeakPolarHBondContact OG1-CA 3.35Å; T38-L78 HydrophobicContact CG2-CB 3.78Å; T38-L78 HydrophobicContact CG2-CD1 4.32Å; T38-L78 HydrophobicContact CG2-CG 4.29Å; T38-L78 PolarHBondContact N-O 3.41Å; T38-L78 PolarHBondContact OG1-N 3.05Å
39R95.2Very high94.9Very high20 Ų2058.7 Ų58.78%0.07531%0.312CS..SBendtrans-71.2157.5173.675.7177.2173.585-3.5110.1T37 E45 F53 N77 Y79T37-R39 HydrophobicContact CG2-CG 3.68Å; T37-R39 WeakPolarHBondContact OG1-CG 3.46Å; T37-R39 PolarHBondContact OG1-N 2.72Å; R39-E45 IonicContact CZ-OE1 3.36Å; R39-E45 IonicContact CZ-OE2 3.43Å; R39-E45 IonicContact NH1-OE1 3.62Å; R39-E45 IonicContact NH1-OE2 3.87Å; R39-E45 PolarHBondContact NH1-OE2 3.06Å; R39-E45 IonicContact NH2-OE1 3.63Å; R39-E45 PolarHBondContact NH2-OE1 3.36Å; R39-E45 IonicContact NH2-OE2 3.01Å; R39-E45 PolarHBondContact NH2-OE2 2.83Å; R39-F53 WeakPolarHBondContact O-CD1 3.35Å; R39-N77 VanDerWaalsContact CA-OD1 3.32Å; R39-N77 WeakPolarHBondContact CA-OD1 3.36Å; R39-N77 HydrophobicContact CB-CB 4.01Å; R39-N77 PolarHBondContact N-OD1 3.36Å; R39-Y79 WeakPolarHBondContact CD-OH 3.32Å
40K94.5Very high94.7Very high188 Ų18857.2 Ų57.282%0.81731%0.305SS*.PPolyproline II helixtrans-66.7144.1167.2-65.3-176.7179.4-179.30110.5
41P95Very high94.6Very high69 Ų6958.5 Ų58.545%0.44831%0.31SS..PPolyproline II helixtrans-56.6142.3170-18.928.2000111.2E45 F53P41-E45 WeakPolarHBondContact CA-OE2 3.33Å; P41-E45 HydrophobicContact CB-CB 4.18Å; P41-F53 HydrophobicContact CB-CD1 4.33Å; P41-F53 HydrophobicContact CB-CD2 4.33Å; P41-F53 HydrophobicContact CB-CE1 3.92Å; P41-F53 HydrophobicContact CB-CE2 3.92Å; P41-F53 HydrophobicContact CB-CZ 3.7Å; P41-F53 HydrophobicContact CG-CB 4.41Å; P41-F53 HydrophobicContact CG-CD1 3.78Å; P41-F53 HydrophobicContact CG-CD2 3.75Å; P41-F53 HydrophobicContact CG-CE1 3.89Å; P41-F53 HydrophobicContact CG-CE2 3.87Å; P41-F53 HydrophobicContact CG-CG 3.71Å; P41-F53 HydrophobicContact CG-CZ 3.94Å
42R91.4Very high94.7Very high53 Ų5361.6 Ų61.620%0.232%0.318CS..PPolyproline II helixtrans-76.2160.8165.8-68.9169.8175.8144.7-5.7109.3G44 E45 E138 R146R42-G44 PolarHBondContact O-N 3.37Å; R42-E45 HydrophobicContact CB-CG 4.05Å; R42-E45 PolarHBondContact N-OE2 2.95Å; R42-E45 IonicContact NH1-OE1 3.41Å; R42-E45 WeakPolarHBondContact O-CB 3.3Å; R42-E45 PolarHBondContact O-N 3.33Å; R42-E138 IonicContact CZ-OE1 3.34Å; R42-E138 IonicContact NE-OE1 3.95Å; R42-E138 IonicContact NH2-OE1 2.72Å; R42-E138 PolarHBondContact NH2-OE1 2.92Å; R42-R146 VanDerWaalsContact NH2-CZ 3.29Å; R42-R146 VanDerWaalsContact NH2-NH2 3.12Å
43P92.3Very high94.8Very high118 Ų11861.4 Ų61.477%0.76632%0.315SS*.THydrogen-bonded Turntrans-51.3127.2172.9-26.435.2000111.8
44G91.7Very high94.9Very high73 Ų7363.1 Ų63.175%0.75333%0.325SS*.THydrogen-bonded Turntrans90.6-17.6179.800000115.5R42R42-G44 PolarHBondContact O-N 3.37Å
45E93.3Very high95.1Very high37 Ų3764.6 Ų64.617%0.17334%0.337CS..  trans-72.8143.7175.7-65.4-179.615600111.2R39 P41 R42 E50 F53R39-E45 IonicContact CZ-OE1 3.36Å; R39-E45 IonicContact CZ-OE2 3.43Å; R39-E45 IonicContact NH1-OE1 3.62Å; R39-E45 IonicContact NH1-OE2 3.87Å; R39-E45 PolarHBondContact NH1-OE2 3.06Å; R39-E45 IonicContact NH2-OE1 3.63Å; R39-E45 PolarHBondContact NH2-OE1 3.36Å; R39-E45 IonicContact NH2-OE2 3.01Å; R39-E45 PolarHBondContact NH2-OE2 2.83Å; P41-E45 WeakPolarHBondContact CA-OE2 3.33Å; P41-E45 HydrophobicContact CB-CB 4.18Å; R42-E45 HydrophobicContact CB-CG 4.05Å; R42-E45 PolarHBondContact N-OE2 2.95Å; R42-E45 IonicContact NH1-OE1 3.41Å; R42-E45 WeakPolarHBondContact O-CB 3.3Å; R42-E45 PolarHBondContact O-N 3.33Å; E45-E50 WeakPolarHBondContact CA-OE2 3.39Å; E45-E50 HydrophobicContact CB-CG 4.49Å; E45-E50 HydrophobicContact CG-CB 4.37Å; E45-E50 HydrophobicContact CG-CG 4.14Å; E45-F53 HydrophobicContact CB-CE2 4.26Å; E45-F53 HydrophobicContact CB-CZ 3.9Å; E45-F53 WeakPolarHBondContact OE2-CZ 3.33Å
46R96.1Very high95.2Very high160 Ų16068.6 Ų68.660%0.60435%0.353SS*.  trans-126.3139.3-178.2-62.1-174.2-61.6175.83.3110.5G48 I49 E50R46-G48 PolarHBondContact O-N 3.15Å; R46-I49 HydrophobicContact CB-CB 4.2Å; R46-I49 HydrophobicContact CB-CG1 3.88Å; R46-I49 PolarHBondContact O-N 3.48Å; R46-I49 VanDerWaalsContact O-N 3.11Å; R46-E50 PolarHBondContact N-OE2 2.81Å; R46-E50 PolarHBondContact O-N 2.91Å
47H97.1Very high95.2Very high120 Ų12069.8 Ų69.856%0.55637%0.368SS*.BIsolated β-bridgetrans-59.4132.5175.6-177.698000110.8I49 Y51 Y52 F53H47-I49 VanDerWaalsContact C-N 3.26Å; H47-I49 PolarHBondContact O-N 3.37Å; H47-Y51 WeakPolarHBondContact CA-O 3.44Å; H47-Y52 AromaticContact NE2-CD1 3.58Å; H47-F53 HydrophobicContact CB-CD2 4.1Å; H47-F53 PolarHBondContact CE1-O 3.43Å; H47-F53 VanDerWaalsContact CE1-O 3.28Å; H47-F53 PolarHBondContact ND1-N 3.47Å; H47-F53 VanDerWaalsContact ND1-N 3.17Å; H47-F53 PolarHBondContact ND1-O 3.01Å
48G94Very high95.2Very high19 Ų1974.8 Ų74.820%0.19639%0.392CS..THydrogen-bonded Turntrans75.210.9-178.200000114.4I34 R46 Y51I34-G48 WeakPolarHBondContact CD1-O 3.25Å; R46-G48 PolarHBondContact O-N 3.15Å; G48-Y51 PolarHBondContact N-O 3.04Å
49I91.2Very high95.2Very high87 Ų8773.9 Ų73.945%0.44639%0.386SS..THydrogen-bonded Turntrans-114.2-68.5172.2-54.5-62.7000109.9R46 H47R46-I49 HydrophobicContact CB-CB 4.2Å; R46-I49 HydrophobicContact CB-CG1 3.88Å; R46-I49 PolarHBondContact O-N 3.48Å; R46-I49 VanDerWaalsContact O-N 3.11Å; H47-I49 VanDerWaalsContact C-N 3.26Å; H47-I49 PolarHBondContact O-N 3.37Å
50E90.6Very high95.4Very high79 Ų7975.7 Ų75.737%0.36940%0.399SS..THydrogen-bonded Turntrans-84.7-41.6176.6-64.674.8-158.600111.4E45 R46E45-E50 WeakPolarHBondContact CA-OE2 3.39Å; E45-E50 HydrophobicContact CB-CG 4.49Å; E45-E50 HydrophobicContact CG-CB 4.37Å; E45-E50 HydrophobicContact CG-CG 4.14Å; R46-E50 PolarHBondContact N-OE2 2.81Å; R46-E50 PolarHBondContact O-N 2.91Å
51Y95.3Very high95.5Very high47 Ų4771.8 Ų71.818%0.18438%0.384CS..EExtended strand (participates in β ladder)trans-148.2154176.7-69.6-88.6000111.3S35 T37 H47 G48 F53 Y79S35-Y51 CarbonylContact O-C 3.58Å; S35-Y51 VanDerWaalsContact O-CA 3.26Å; S35-Y51 WeakPolarHBondContact O-CA 3.3Å; S35-Y51 WeakPolarHBondContact O-CD1 3.47Å; T37-Y51 HydrophobicContact CG2-CD1 3.74Å; T37-Y51 HydrophobicContact CG2-CD2 4.3Å; T37-Y51 HydrophobicContact CG2-CG 3.63Å; H47-Y51 WeakPolarHBondContact CA-O 3.44Å; G48-Y51 PolarHBondContact N-O 3.04Å; Y51-F53 HydrophobicContact CD2-CE1 4.38Å; Y51-F53 HydrophobicContact CD2-CZ 4.25Å; Y51-F53 HydrophobicContact CG-CE1 4.46Å; Y51-F53 WeakPolarHBondContact O-CD2 3.48Å; Y51-F53 PolarHBondContact O-N 3.32Å; Y51-Y79 HydrophobicContact CE1-CD1 4.23Å
52Y97.2Very high95.7Very high84 Ų8469 Ų6933%0.32937%0.367SS..EExtended strand (participates in β ladder)trans-78.897.9154.7-66.6-68.1000108.8I34 S35 H36 T37 H47 T54I34-Y52 HydrophobicContact CB-CD2 4.15Å; I34-Y52 HydrophobicContact CB-CE2 3.8Å; I34-Y52 HydrophobicContact CG2-CD2 3.72Å; I34-Y52 HydrophobicContact CG2-CE2 3.78Å; I34-Y52 HydrophobicContact CG2-CG 4.37Å; S35-Y52 PolarHBondContact O-N 3.38Å; H36-Y52 CarbonylContact C-O 3.57Å; H36-Y52 VanDerWaalsContact CA-O 3.26Å; H36-Y52 WeakPolarHBondContact CA-O 3.19Å; H36-Y52 WeakPolarHBondContact CD2-CB 3.23Å; H36-Y52 AromaticContact CE1-CD2 3.56Å; H36-Y52 AromaticContact NE2-CD2 3.7Å; H36-Y52 AromaticContact NE2-CG 3.8Å; T37-Y52 PolarHBondContact N-O 3.22Å; H47-Y52 AromaticContact NE2-CD1 3.58Å; Y52-T54 PolarHBondContact O-N 2.88Å
53F98Very high96Very high28 Ų2868.1 Ų68.112%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-74.1120.5174.9-58.5-78.8000110T37 R39 P41 E45 H47 Y51T37-F53 HydrophobicContact CG2-CD1 3.56Å; T37-F53 HydrophobicContact CG2-CE1 3.72Å; T37-F53 WeakPolarHBondContact O-CA 3.48Å; R39-F53 WeakPolarHBondContact O-CD1 3.35Å; P41-F53 HydrophobicContact CB-CD1 4.33Å; P41-F53 HydrophobicContact CB-CD2 4.33Å; P41-F53 HydrophobicContact CB-CE1 3.92Å; P41-F53 HydrophobicContact CB-CE2 3.92Å; P41-F53 HydrophobicContact CB-CZ 3.7Å; P41-F53 HydrophobicContact CG-CB 4.41Å; P41-F53 HydrophobicContact CG-CD1 3.78Å; P41-F53 HydrophobicContact CG-CD2 3.75Å; P41-F53 HydrophobicContact CG-CE1 3.89Å; P41-F53 HydrophobicContact CG-CE2 3.87Å; P41-F53 HydrophobicContact CG-CG 3.71Å; P41-F53 HydrophobicContact CG-CZ 3.94Å; E45-F53 HydrophobicContact CB-CE2 4.26Å; E45-F53 HydrophobicContact CB-CZ 3.9Å; E45-F53 WeakPolarHBondContact OE2-CZ 3.33Å; H47-F53 HydrophobicContact CB-CD2 4.1Å; H47-F53 PolarHBondContact CE1-O 3.43Å; H47-F53 VanDerWaalsContact CE1-O 3.28Å; H47-F53 PolarHBondContact ND1-N 3.47Å; H47-F53 VanDerWaalsContact ND1-N 3.17Å; H47-F53 PolarHBondContact ND1-O 3.01Å; Y51-F53 HydrophobicContact CD2-CE1 4.38Å; Y51-F53 HydrophobicContact CD2-CZ 4.25Å; Y51-F53 HydrophobicContact CG-CE1 4.46Å; Y51-F53 WeakPolarHBondContact O-CD2 3.48Å; Y51-F53 PolarHBondContact O-N 3.32Å
54T97.5Very high96.2Very high36 Ų3669.8 Ų69.822%0.22136%0.363CS..  trans-136173.2-175.2-179.40000110.6H36 T37 T38 Y52 E58 M59H36-T54 HydrophobicContact CB-CG2 4.31Å; T37-T54 PolarHBondContact O-N 2.93Å; T38-T54 WeakPolarHBondContact CA-O 3.46Å; T38-T54 HydrophobicContact CG2-CG2 4.39Å; Y52-T54 PolarHBondContact O-N 2.88Å; T54-E58 WeakPolarHBondContact OG1-CB 3.47Å; T54-E58 PolarHBondContact OG1-OE2 2.91Å; T54-M59 HydrophobicContact CG2-CB 3.88Å; T54-M59 HydrophobicContact CG2-CG 4.34Å; T54-M59 HydrophobicContact CG2-SD 4.07Å
55T97.8Very high96.5Very high71 Ų7173.1 Ų73.144%0.43635%0.353SS..  trans-86.2158.9173.168.70000112A57 E58 M59T55-A57 VanDerWaalsContact C-N 3.27Å; T55-A57 PolarHBondContact O-N 3.34Å; T55-E58 WeakPolarHBondContact CB-OE2 3.46Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.46Å; T55-E58 PolarHBondContact N-OE2 3.46Å; T55-E58 WeakPolarHBondContact OG1-CB 3.46Å; T55-E58 WeakPolarHBondContact OG1-CG 3.28Å; T55-E58 PolarHBondContact OG1-N 3.23Å; T55-E58 PolarHBondContact OG1-OE2 3.35Å; T55-M59 WeakPolarHBondContact O-CB 3.45Å; T55-M59 PolarHBondContact O-N 2.84Å; T55-M59 VanDerWaalsContact O-N 3.07Å
56K97.6Very high96.6Very high95 Ų9573.5 Ų73.541%0.41337%0.367SS..Hα-helixtrans-58.6-39.1173.2-77.2-166.5175.7-161.50112.6T38 T60 E73 G76T38-K56 HydrophobicContact CG2-CB 4.36Å; T38-K56 HydrophobicContact CG2-CG 3.86Å; K56-T60 VanDerWaalsContact O-CB 3.31Å; K56-T60 WeakPolarHBondContact O-CB 3.35Å; K56-T60 PolarHBondContact O-N 2.98Å; K56-T60 PolarHBondContact O-OG1 2.08Å; K56-E73 IonicContact NZ-OE1 3.78Å; K56-E73 PolarHBondContact NZ-OE1 3.2Å; K56-G76 WeakPolarHBondContact CE-O 3.42Å; K56-G76 PolarHBondContact NZ-O 3.26Å
57A98Very high96.7Very high61 Ų6169.9 Ų69.950%0.50436%0.357SS..Hα-helixtrans-63.8-54.3-179.200000111T55 M59 T60 E61T55-A57 VanDerWaalsContact C-N 3.27Å; T55-A57 PolarHBondContact O-N 3.34Å; A57-M59 VanDerWaalsContact C-N 3.32Å; A57-M59 PolarHBondContact O-N 3.07Å; A57-T60 PolarHBondContact O-N 2.76Å; A57-E61 WeakPolarHBondContact O-CG 3.36Å; A57-E61 PolarHBondContact O-N 3.3Å
58E97.8Very high96.7Very high105 Ų10565.4 Ų65.449%0.49134%0.336SS..Hα-helixtrans-57.9-44179.2-68.2162.8152.200112T54 T55 A62T54-E58 WeakPolarHBondContact OG1-CB 3.47Å; T54-E58 PolarHBondContact OG1-OE2 2.91Å; T55-E58 WeakPolarHBondContact CB-OE2 3.46Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.46Å; T55-E58 PolarHBondContact N-OE2 3.46Å; T55-E58 WeakPolarHBondContact OG1-CB 3.46Å; T55-E58 WeakPolarHBondContact OG1-CG 3.28Å; T55-E58 PolarHBondContact OG1-N 3.23Å; T55-E58 PolarHBondContact OG1-OE2 3.35Å; E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 2.74Å
59M98.1Very high96.7Very high2 Ų265.8 Ų65.81%0.0133%0.333CS..Hα-helixtrans-68.2-40.9-179.4-169.4167.3178.100112.3H36 T38 T54 T55 A57 A62 I63 F68 L78H36-M59 HydrophobicContact CB-CE 4.06Å; H36-M59 HydrophobicContact CB-SD 4.18Å; T38-M59 HydrophobicContact CG2-CB 4.09Å; T38-M59 HydrophobicContact CG2-SD 3.77Å; T54-M59 HydrophobicContact CG2-CB 3.88Å; T54-M59 HydrophobicContact CG2-CG 4.34Å; T54-M59 HydrophobicContact CG2-SD 4.07Å; T55-M59 WeakPolarHBondContact O-CB 3.45Å; T55-M59 PolarHBondContact O-N 2.84Å; T55-M59 VanDerWaalsContact O-N 3.07Å; A57-M59 VanDerWaalsContact C-N 3.32Å; A57-M59 PolarHBondContact O-N 3.07Å; M59-A62 PolarHBondContact O-N 2.87Å; M59-I63 HydrophobicContact CE-CD1 4.44Å; M59-I63 HydrophobicContact CG-CD1 4.04Å; M59-I63 WeakPolarHBondContact O-CD1 3.26Å; M59-I63 VanDerWaalsContact O-CG1 3.23Å; M59-I63 WeakPolarHBondContact O-CG1 3.26Å; M59-I63 PolarHBondContact O-N 3.31Å; M59-F68 HydrophobicContact CE-CD1 4.3Å; M59-F68 HydrophobicContact CE-CE1 3.67Å; M59-F68 HydrophobicContact CE-CZ 3.98Å; M59-F68 HydrophobicContact CG-CE2 4.37Å; M59-F68 HydrophobicContact CG-CZ 4.05Å; M59-L78 HydrophobicContact CB-CD1 4.32Å; M59-L78 HydrophobicContact CE-CB 3.97Å; M59-L78 HydrophobicContact CG-CB 4.44Å; M59-L78 HydrophobicContact CG-CD1 4.27Å; M59-L78 HydrophobicContact SD-CB 3.54Å; M59-L78 VanDerWaalsContact SD-CB 3.54Å; M59-L78 HydrophobicContact SD-CD1 4.4Å
60T98.1Very high96.9Very high57 Ų5762 Ų6235%0.3531%0.314SS..Hα-helixtrans-62.7-45.9175.9-64.20000111.2K56 A57 A62 I63 E64K56-T60 VanDerWaalsContact O-CB 3.31Å; K56-T60 WeakPolarHBondContact O-CB 3.35Å; K56-T60 PolarHBondContact O-N 2.98Å; K56-T60 PolarHBondContact O-OG1 2.08Å; A57-T60 PolarHBondContact O-N 2.76Å; T60-A62 VanDerWaalsContact C-N 3.3Å; T60-A62 PolarHBondContact O-N 2.85Å; T60-I63 WeakPolarHBondContact O-CB 3.42Å; T60-I63 PolarHBondContact O-N 3.44Å; T60-E64 WeakPolarHBondContact O-CG 3.43Å; T60-E64 PolarHBondContact O-N 2.98Å
61E98.2Very high97.1Very high107 Ų10762.5 Ų62.550%0.532%0.316SS..Hα-helixtrans-60.9-40.2177-69.5176.7-171.900111.8A57 E64 R65A57-E61 WeakPolarHBondContact O-CG 3.36Å; A57-E61 PolarHBondContact O-N 3.3Å; E61-E64 PolarHBondContact O-N 2.91Å; E61-R65 WeakPolarHBondContact O-CG 3.45Å; E61-R65 PolarHBondContact O-N 3.36Å; E61-R65 PolarHBondContact O-NH1 3.36Å; E61-R65 IonicContact OE2-NH1 3.11Å
62A97.8Very high97Very high9 Ų960.7 Ų60.77%0.07431%0.311CS..Hα-helixtrans-67.5-36.6176.500000112.9E58 M59 T60 R65 G66 E67 F68E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 2.74Å; M59-A62 PolarHBondContact O-N 2.87Å; T60-A62 VanDerWaalsContact C-N 3.3Å; T60-A62 PolarHBondContact O-N 2.85Å; A62-R65 PolarHBondContact O-N 2.93Å; A62-G66 PolarHBondContact O-N 3.19Å; A62-E67 HydrophobicContact CB-CB 4.47Å; A62-E67 WeakPolarHBondContact CB-OE2 3.4Å; A62-E67 WeakPolarHBondContact O-CB 3.23Å; A62-E67 PolarHBondContact O-N 3.26Å; A62-F68 HydrophobicContact CB-CD2 4.19Å; A62-F68 HydrophobicContact CB-CE2 3.68Å
63I97.5Very high96.7Very high35 Ų3562.2 Ų62.218%0.17932%0.321CS..Hα-helixtrans-62.3-45.7172-71.5162.2000110.4M59 T60 R65 G66 F68 H71 L78M59-I63 HydrophobicContact CE-CD1 4.44Å; M59-I63 HydrophobicContact CG-CD1 4.04Å; M59-I63 WeakPolarHBondContact O-CD1 3.26Å; M59-I63 VanDerWaalsContact O-CG1 3.23Å; M59-I63 WeakPolarHBondContact O-CG1 3.26Å; M59-I63 PolarHBondContact O-N 3.31Å; T60-I63 WeakPolarHBondContact O-CB 3.42Å; T60-I63 PolarHBondContact O-N 3.44Å; I63-R65 PolarHBondContact O-N 2.94Å; I63-G66 WeakPolarHBondContact O-CA 3.45Å; I63-G66 PolarHBondContact O-N 3.25Å; I63-F68 HydrophobicContact CG1-CB 4.15Å; I63-F68 HydrophobicContact CG1-CD2 3.68Å; I63-F68 HydrophobicContact CG1-CE2 4.28Å; I63-F68 HydrophobicContact CG1-CG 3.89Å; I63-H71 HydrophobicContact CD1-CB 3.85Å; I63-H71 HydrophobicContact CG1-CB 4.29Å; I63-L78 HydrophobicContact CD1-CD1 4.47Å
64E97.8Very high96.1Very high154 Ų15462.9 Ų62.972%0.7232%0.324SS*.Hα-helixtrans-62.2-31.9177.9-72.3176.3176.800112.7T60 E61 G66T60-E64 WeakPolarHBondContact O-CG 3.43Å; T60-E64 PolarHBondContact O-N 2.98Å; E61-E64 PolarHBondContact O-N 2.91Å; E64-G66 PolarHBondContact O-N 3.07Å
65R97.9Very high95.4Very high142 Ų14263.7 Ų63.754%0.53634%0.34SS..THydrogen-bonded Turntrans-76.2-1.7172.4-67.9-171-52.1-92.7-1.2114E61 A62 I63 E67E61-R65 WeakPolarHBondContact O-CG 3.45Å; E61-R65 PolarHBondContact O-N 3.36Å; E61-R65 PolarHBondContact O-NH1 3.36Å; E61-R65 IonicContact OE2-NH1 3.11Å; A62-R65 PolarHBondContact O-N 2.93Å; I63-R65 PolarHBondContact O-N 2.94Å; R65-E67 VanDerWaalsContact C-N 3.35Å; R65-E67 HydrophobicContact CB-CG 4.08Å; R65-E67 IonicContact CZ-OE1 3.66Å; R65-E67 IonicContact NE-OE1 2.82Å; R65-E67 PolarHBondContact NE-OE1 2.97Å; R65-E67 IonicContact NH2-OE1 3.45Å; R65-E67 PolarHBondContact NH2-OE1 3.34Å; R65-E67 VanDerWaalsContact NH2-OE1 3.09Å; R65-E67 IonicContact NH2-OE2 2.92Å; R65-E67 PolarHBondContact NH2-OE2 3.04Å
66G95.8Very high95Very high46 Ų4662 Ų6247%0.47434%0.336SS..THydrogen-bonded Turntrans73.623.9179.100000113.8A62 I63 E64 F68 L83A62-G66 PolarHBondContact O-N 3.19Å; I63-G66 WeakPolarHBondContact O-CA 3.45Å; I63-G66 PolarHBondContact O-N 3.25Å; E64-G66 PolarHBondContact O-N 3.07Å; G66-F68 VanDerWaalsContact C-N 3.28Å; G66-F68 PolarHBondContact O-N 3.39Å; G66-L83 WeakPolarHBondContact O-CD1 3.49Å
67E97.1Very high94.8Very high84 Ų8459.6 Ų59.639%0.39333%0.328SS..  trans-80-11.1-177.9-63.3175-170.700113A62 R65 S82 L83A62-E67 HydrophobicContact CB-CB 4.47Å; A62-E67 WeakPolarHBondContact CB-OE2 3.4Å; A62-E67 WeakPolarHBondContact O-CB 3.23Å; A62-E67 PolarHBondContact O-N 3.26Å; R65-E67 VanDerWaalsContact C-N 3.35Å; R65-E67 HydrophobicContact CB-CG 4.08Å; R65-E67 IonicContact CZ-OE1 3.66Å; R65-E67 IonicContact NE-OE1 2.82Å; R65-E67 PolarHBondContact NE-OE1 2.97Å; R65-E67 IonicContact NH2-OE1 3.45Å; R65-E67 PolarHBondContact NH2-OE1 3.34Å; R65-E67 VanDerWaalsContact NH2-OE1 3.09Å; R65-E67 IonicContact NH2-OE2 2.92Å; R65-E67 PolarHBondContact NH2-OE2 3.04Å; E67-S82 CarbonylContact O-C 3.49Å; E67-S82 WeakPolarHBondContact O-CA 3.39Å; E67-L83 PolarHBondContact O-N 3.26Å
68F96.8Very high94.8Very high26 Ų2657.6 Ų57.611%0.11431%0.308CS..EExtended strand (participates in β ladder)trans-102.8131.3-177.8-79.8-97000112.4H36 M59 A62 I63 G66 G80H36-F68 HydrophobicContact CB-CE1 3.87Å; H36-F68 HydrophobicContact CB-CZ 3.89Å; H36-F68 AromaticContact CG-CE1 3.86Å; H36-F68 AromaticContact CG-CZ 3.67Å; H36-F68 AromaticContact ND1-CE1 3.76Å; H36-F68 AromaticContact ND1-CZ 3.83Å; M59-F68 HydrophobicContact CE-CD1 4.3Å; M59-F68 HydrophobicContact CE-CE1 3.67Å; M59-F68 HydrophobicContact CE-CZ 3.98Å; M59-F68 HydrophobicContact CG-CE2 4.37Å; M59-F68 HydrophobicContact CG-CZ 4.05Å; A62-F68 HydrophobicContact CB-CD2 4.19Å; A62-F68 HydrophobicContact CB-CE2 3.68Å; I63-F68 HydrophobicContact CG1-CB 4.15Å; I63-F68 HydrophobicContact CG1-CD2 3.68Å; I63-F68 HydrophobicContact CG1-CE2 4.28Å; I63-F68 HydrophobicContact CG1-CG 3.89Å; G66-F68 VanDerWaalsContact C-N 3.28Å; G66-F68 PolarHBondContact O-N 3.39Å; F68-G80 WeakPolarHBondContact CE1-O 3.36Å
69L94.9Very high94.7Very high26 Ų2653.5 Ų53.514%0.13629%0.289CS..EExtended strand (participates in β ladder)trans-68.7-42.8170.5172.965.6000110.7T81 L83 V86 L98 V108 L113L69-T81 WeakPolarHBondContact CB-O 3.48Å; L69-T81 PolarHBondContact N-O 3.17Å; L69-L83 HydrophobicContact CB-CD2 4Å; L69-L83 HydrophobicContact CB-CG 4.49Å; L69-L83 HydrophobicContact CD1-CD2 4.22Å; L69-V86 HydrophobicContact CD2-CG2 4.06Å; L69-L98 HydrophobicContact CD2-CD2 3.54Å; L69-V108 HydrophobicContact CD2-CG2 3.87Å; L69-V108 HydrophobicContact CG-CG2 4.14Å; L69-L113 HydrophobicContact CD1-CD1 3.78Å; L69-L113 HydrophobicContact CD2-CD1 3.43Å; L69-L113 VanDerWaalsContact CD2-CD1 3.43Å; L69-L113 HydrophobicContact CG-CD1 4.26Å
70E94.7Very high94.6Very high9 Ų953.5 Ų53.54%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-150.8153.7178.363.476.5-139.800109.7G80 T81 I100 G104 A107 V108E70-G80 CarbonylContact O-C 3.6Å; E70-G80 WeakPolarHBondContact O-CA 3.25Å; E70-G80 WeakPolarHBondContact OE1-CA 3.49Å; E70-T81 PolarHBondContact O-N 3.36Å; E70-T81 VanDerWaalsContact O-N 3.1Å; E70-T81 VanDerWaalsContact OE1-CB 3.28Å; E70-T81 WeakPolarHBondContact OE1-CB 3.28Å; E70-T81 PolarHBondContact OE1-N 3.01Å; E70-T81 PolarHBondContact OE1-OG1 2.95Å; E70-I100 HydrophobicContact CG-CD1 4.43Å; E70-I100 HydrophobicContact CG-CG2 4.4Å; E70-I100 WeakPolarHBondContact OE1-CG2 3.43Å; E70-G104 WeakPolarHBondContact OE2-CA 3.42Å; E70-A107 HydrophobicContact CB-CB 3.69Å; E70-V108 HydrophobicContact CB-CG2 4.49Å; E70-V108 HydrophobicContact CG-CG2 4.17Å
71H95.9Very high94.5Very high89 Ų8950.8 Ų50.841%0.41227%0.272SS..EExtended strand (participates in β ladder)trans-150.9155.5170.869.490.3000110.8I63 Y79I63-H71 HydrophobicContact CD1-CB 3.85Å; I63-H71 HydrophobicContact CG1-CB 4.29Å; H71-Y79 CarbonylContact C-O 3.55Å; H71-Y79 WeakPolarHBondContact CA-O 3.48Å; H71-Y79 WeakPolarHBondContact CB-O 3.3Å
72A92.3Very high94.4Very high9 Ų946.3 Ų46.37%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-146.3153.9-179.500000110.6L78 Y79 Q103A72-L78 CarbonylContact O-C 3.5Å; A72-L78 WeakPolarHBondContact O-CA 3.46Å; A72-Y79 PolarHBondContact N-O 3.23Å; A72-Y79 PolarHBondContact O-N 3.42Å; A72-Q103 HydrophobicContact CB-CG 4.4Å
73E91.1Very high94.2Very high116 Ų11648.8 Ų48.854%0.54227%0.265SS..EExtended strand (participates in β ladder)trans-110.4126.5169.8-170.5171-171.500110.3K56 G76 N77 L78K56-E73 IonicContact NZ-OE1 3.78Å; K56-E73 PolarHBondContact NZ-OE1 3.2Å; E73-G76 WeakPolarHBondContact OE1-CA 3.31Å; E73-N77 CarbonylContact C-O 3.46Å; E73-N77 WeakPolarHBondContact CA-O 3.42Å; E73-L78 HydrophobicContact CB-CD2 3.92Å; E73-L78 HydrophobicContact CG-CD2 4.13Å
74F84.5Confident94Very high42 Ų4251.9 Ų51.918%0.18428%0.278CS..EExtended strand (participates in β ladder)trans-136.5132.2173.8171.7-109.3000111.8G76 N77 Y79 R146 L149F74-G76 PolarHBondContact O-N 2.89Å; F74-G76 VanDerWaalsContact O-N 3.16Å; F74-N77 PolarHBondContact N-O 2.87Å; F74-N77 PolarHBondContact O-N 3.38Å; F74-Y79 HydrophobicContact CB-CD2 4.27Å; F74-Y79 HydrophobicContact CB-CE2 3.87Å; F74-Y79 HydrophobicContact CD1-CE2 4.33Å; F74-R146 HydrophobicContact CE1-CG 4.07Å; F74-R146 HydrophobicContact CZ-CG 3.8Å; F74-L149 HydrophobicContact CD1-CD2 4.36Å; F74-L149 HydrophobicContact CD2-CB 4.33Å; F74-L149 HydrophobicContact CD2-CD1 4.47Å; F74-L149 HydrophobicContact CD2-CD2 3.23Å; F74-L149 HydrophobicContact CD2-CG 4.18Å; F74-L149 HydrophobicContact CE1-CD2 4.45Å; F74-L149 HydrophobicContact CE2-CB 3.71Å; F74-L149 HydrophobicContact CE2-CD2 3.32Å; F74-L149 HydrophobicContact CE2-CG 4.02Å; F74-L149 HydrophobicContact CG-CD2 3.78Å; F74-L149 HydrophobicContact CZ-CB 4.41Å; F74-L149 HydrophobicContact CZ-CD2 3.96Å
75G83.3Confident93.8Very high53 Ų5345 Ų4555%0.54625%0.247SC..THydrogen-bonded Turntrans58.629.1177.700000112.9N77G75-N77 VanDerWaalsContact C-N 3.33Å; G75-N77 PolarHBondContact O-ND2 3.37Å
76G89.4Confident93.6Very high36 Ų3638.3 Ų38.337%0.37122%0.222SC..THydrogen-bonded Turntrans73.918.3-17500000114.3K56 E73 F74K56-G76 WeakPolarHBondContact CE-O 3.42Å; K56-G76 PolarHBondContact NZ-O 3.26Å; E73-G76 WeakPolarHBondContact OE1-CA 3.31Å; F74-G76 PolarHBondContact O-N 2.89Å; F74-G76 VanDerWaalsContact O-N 3.16Å
77N94.8Very high93.4Very high44 Ų4439.9 Ų39.924%0.23522%0.217CC..EExtended strand (participates in β ladder)trans-122.8144.3174.1-60.7-74.2000110.3T38 R39 E73 F74 G75 Y79T38-N77 PolarHBondContact O-OD1 3.09Å; T38-N77 WeakPolarHBondContact OG1-CA 3.35Å; R39-N77 VanDerWaalsContact CA-OD1 3.32Å; R39-N77 WeakPolarHBondContact CA-OD1 3.36Å; R39-N77 HydrophobicContact CB-CB 4.01Å; R39-N77 PolarHBondContact N-OD1 3.36Å; E73-N77 CarbonylContact C-O 3.46Å; E73-N77 WeakPolarHBondContact CA-O 3.42Å; F74-N77 PolarHBondContact N-O 2.87Å; F74-N77 PolarHBondContact O-N 3.38Å; G75-N77 VanDerWaalsContact C-N 3.33Å; G75-N77 PolarHBondContact O-ND2 3.37Å; N77-Y79 HydrophobicContact CB-CE2 3.92Å; N77-Y79 WeakPolarHBondContact O-CD2 3.15Å; N77-Y79 WeakPolarHBondContact O-CE2 3.48Å
78L96.4Very high93.2Very high18 Ų1838.2 Ų38.29%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-83.7148.2172.8-58.4174.4000110.2T37 T38 M59 I63 A72 E73T37-L78 CarbonylContact C-O 3.6Å; T37-L78 WeakPolarHBondContact CA-O 3.22Å; T37-L78 PolarHBondContact OG1-O 2.93Å; T38-L78 HydrophobicContact CG2-CB 3.78Å; T38-L78 HydrophobicContact CG2-CD1 4.32Å; T38-L78 HydrophobicContact CG2-CG 4.29Å; T38-L78 PolarHBondContact N-O 3.41Å; T38-L78 PolarHBondContact OG1-N 3.05Å; M59-L78 HydrophobicContact CB-CD1 4.32Å; M59-L78 HydrophobicContact CE-CB 3.97Å; M59-L78 HydrophobicContact CG-CB 4.44Å; M59-L78 HydrophobicContact CG-CD1 4.27Å; M59-L78 HydrophobicContact SD-CB 3.54Å; M59-L78 VanDerWaalsContact SD-CB 3.54Å; M59-L78 HydrophobicContact SD-CD1 4.4Å; I63-L78 HydrophobicContact CD1-CD1 4.47Å; A72-L78 CarbonylContact O-C 3.5Å; A72-L78 WeakPolarHBondContact O-CA 3.46Å; E73-L78 HydrophobicContact CB-CD2 3.92Å; E73-L78 HydrophobicContact CG-CD2 4.13Å
79Y95.4Very high93.1Very high20 Ų2037.7 Ų37.78%0.07821%0.213CC..EExtended strand (participates in β ladder)trans-135.9148.7171.8-59.6-99.1000107.8H36 T37 R39 Y51 H71 A72 F74 N77H36-Y79 WeakPolarHBondContact O-CA 3.47Å; T37-Y79 VanDerWaalsContact OG1-CD1 3.29Å; T37-Y79 WeakPolarHBondContact OG1-CD1 3.23Å; T37-Y79 WeakPolarHBondContact OG1-CE1 3.27Å; R39-Y79 WeakPolarHBondContact CD-OH 3.32Å; Y51-Y79 HydrophobicContact CE1-CD1 4.23Å; H71-Y79 CarbonylContact C-O 3.55Å; H71-Y79 WeakPolarHBondContact CA-O 3.48Å; H71-Y79 WeakPolarHBondContact CB-O 3.3Å; A72-Y79 PolarHBondContact N-O 3.23Å; A72-Y79 PolarHBondContact O-N 3.42Å; F74-Y79 HydrophobicContact CB-CD2 4.27Å; F74-Y79 HydrophobicContact CB-CE2 3.87Å; F74-Y79 HydrophobicContact CD1-CE2 4.33Å; N77-Y79 HydrophobicContact CB-CE2 3.92Å; N77-Y79 WeakPolarHBondContact O-CD2 3.15Å; N77-Y79 WeakPolarHBondContact O-CE2 3.48Å
80G96.6Very high92.9Very high1 Ų138.5 Ų38.51%0.0122%0.216CC..EExtended strand (participates in β ladder)trans179.3153.4177.300000114.2S35 H36 F68 E70S35-G80 CarbonylContact C-O 3.58Å; S35-G80 WeakPolarHBondContact CA-O 3.49Å; H36-G80 PolarHBondContact N-O 3.18Å; H36-G80 PolarHBondContact O-N 3.17Å; H36-G80 VanDerWaalsContact O-N 3.12Å; F68-G80 WeakPolarHBondContact CE1-O 3.36Å; E70-G80 CarbonylContact O-C 3.6Å; E70-G80 WeakPolarHBondContact O-CA 3.25Å; E70-G80 WeakPolarHBondContact OE1-CA 3.49Å
81T96.4Very high92.9Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-101.1120.1178-52.90000109.3C33 S35 L69 E70 V86 L98 I100C33-T81 HydrophobicContact CB-CG2 4.25Å; S35-T81 PolarHBondContact OG-OG1 3.28Å; L69-T81 WeakPolarHBondContact CB-O 3.48Å; L69-T81 PolarHBondContact N-O 3.17Å; E70-T81 PolarHBondContact O-N 3.36Å; E70-T81 VanDerWaalsContact O-N 3.1Å; E70-T81 VanDerWaalsContact OE1-CB 3.28Å; E70-T81 WeakPolarHBondContact OE1-CB 3.28Å; E70-T81 PolarHBondContact OE1-N 3.01Å; E70-T81 PolarHBondContact OE1-OG1 2.95Å; T81-V86 HydrophobicContact CG2-CG2 3.9Å; T81-L98 HydrophobicContact CG2-CD2 4.2Å; T81-I100 WeakPolarHBondContact OG1-CG2 3.43Å
82S95.5Very high92.8Very high14 Ų1444.4 Ų44.410%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-75.4148.8176.170.20000111.3H36 E67 E84 S85 V86H36-S82 PolarHBondContact CE1-OG 2.95Å; E67-S82 CarbonylContact O-C 3.49Å; E67-S82 WeakPolarHBondContact O-CA 3.39Å; S82-E84 PolarHBondContact O-N 3.41Å; S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 3.36Å; S82-S85 WeakPolarHBondContact OG-CB 3.42Å; S82-S85 PolarHBondContact OG-N 2.92Å; S82-S85 VanDerWaalsContact OG-N 3.12Å; S82-V86 PolarHBondContact O-N 3.09Å
83L94.2Very high92.9Very high61 Ų6147.3 Ų47.332%0.31928%0.278SS..Hα-helixtrans-57.6-38173.2-71.3168.5000111.1G66 E67 L69 S85 V86 H87G66-L83 WeakPolarHBondContact O-CD1 3.49Å; E67-L83 PolarHBondContact O-N 3.26Å; L69-L83 HydrophobicContact CB-CD2 4Å; L69-L83 HydrophobicContact CB-CG 4.49Å; L69-L83 HydrophobicContact CD1-CD2 4.22Å; L83-S85 PolarHBondContact O-N 3.23Å; L83-V86 PolarHBondContact O-N 3.23Å; L83-H87 PolarHBondContact O-N 3.42Å; L83-H87 PolarHBondContact O-ND1 3.03Å
84E93.5Very high93.1Very high100 Ų10044.7 Ų44.747%0.46727%0.265SS..Hα-helixtrans-67.3-34.7179.1-179.653.3-160.600112.9S82 V86 H87 S88 R91S82-E84 PolarHBondContact O-N 3.41Å; E84-V86 VanDerWaalsContact C-N 3.26Å; E84-V86 PolarHBondContact O-N 2.81Å; E84-H87 PolarHBondContact O-N 3.09Å; E84-S88 VanDerWaalsContact O-CB 3.26Å; E84-S88 WeakPolarHBondContact O-CB 3.47Å; E84-S88 PolarHBondContact O-N 2.89Å; E84-S88 PolarHBondContact O-OG 3.12Å; E84-R91 IonicContact OE1-CZ 3.58Å; E84-R91 IonicContact OE1-NH1 3.57Å; E84-R91 IonicContact OE1-NH2 2.65Å; E84-R91 PolarHBondContact OE1-NH2 3.27Å; E84-R91 IonicContact OE2-CZ 3.86Å; E84-R91 IonicContact OE2-NH1 3.59Å; E84-R91 PolarHBondContact OE2-NH1 2.92Å; E84-R91 VanDerWaalsContact OE2-NH1 3.11Å; E84-R91 IonicContact OE2-NH2 3.63Å
85S93.7Very high93.5Very high9 Ų943.9 Ų43.96%0.06326%0.261CS..Hα-helixtrans-59.2-41.4173-168.70000110.7I34 S82 L83 S88I34-S85 PolarHBondContact N-OG 2.88Å; I34-S85 VanDerWaalsContact N-OG 3.1Å; I34-S85 PolarHBondContact O-OG 2.95Å; S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 3.36Å; S82-S85 WeakPolarHBondContact OG-CB 3.42Å; S82-S85 PolarHBondContact OG-N 2.92Å; S82-S85 VanDerWaalsContact OG-N 3.12Å; L83-S85 PolarHBondContact O-N 3.23Å; S85-S88 PolarHBondContact O-OG 3.4Å
86V92.9Very high94.1Very high2 Ų241.5 Ų41.51%0.01224%0.236CC..Hα-helixtrans-69.6-49.3175.8-176.30000112.1C33 L69 T81 S82 L83 E84 S88 I89 Q90 L98 L113C33-V86 VanDerWaalsContact SG-CA 3.57Å; L69-V86 HydrophobicContact CD2-CG2 4.06Å; T81-V86 HydrophobicContact CG2-CG2 3.9Å; S82-V86 PolarHBondContact O-N 3.09Å; L83-V86 PolarHBondContact O-N 3.23Å; E84-V86 VanDerWaalsContact C-N 3.26Å; E84-V86 PolarHBondContact O-N 2.81Å; V86-S88 VanDerWaalsContact C-N 3.33Å; V86-S88 PolarHBondContact O-N 2.92Å; V86-I89 PolarHBondContact O-N 3.41Å; V86-Q90 WeakPolarHBondContact O-CG 3.48Å; V86-Q90 PolarHBondContact O-N 3.45Å; V86-Q90 VanDerWaalsContact O-N 3.13Å; V86-L98 HydrophobicContact CG2-CD2 4.35Å; V86-L113 HydrophobicContact CG1-CD1 4.47Å; V86-L113 HydrophobicContact CG1-CD2 4.28Å
87H92Very high94.4Very high79 Ų7940 Ų4037%0.36622%0.219SC..Hα-helixtrans-64.9-36.7-176.8-64.1159000112.5L83 E84 I89 Q90 R91L83-H87 PolarHBondContact O-N 3.42Å; L83-H87 PolarHBondContact O-ND1 3.03Å; E84-H87 PolarHBondContact O-N 3.09Å; H87-I89 VanDerWaalsContact C-N 3.33Å; H87-I89 PolarHBondContact O-N 3.19Å; H87-Q90 PolarHBondContact O-N 2.89Å; H87-R91 WeakPolarHBondContact O-CB 3.5Å; H87-R91 VanDerWaalsContact O-CG 3.29Å; H87-R91 WeakPolarHBondContact O-CG 3.44Å; H87-R91 PolarHBondContact O-N 2.96Å
88S92.8Very high94.5Very high48 Ų4837.9 Ų37.934%0.33621%0.208SC..Hα-helixtrans-59.8-43.1178.468.40000112.1E84 S85 V86 R91 A92E84-S88 VanDerWaalsContact O-CB 3.26Å; E84-S88 WeakPolarHBondContact O-CB 3.47Å; E84-S88 PolarHBondContact O-N 2.89Å; E84-S88 PolarHBondContact O-OG 3.12Å; S85-S88 PolarHBondContact O-OG 3.4Å; V86-S88 VanDerWaalsContact C-N 3.33Å; V86-S88 PolarHBondContact O-N 2.92Å; S88-R91 PolarHBondContact O-N 2.79Å; S88-A92 PolarHBondContact O-N 2.65Å; S88-A92 VanDerWaalsContact O-N 3.07Å
89I94.3Very high94.4Very high16 Ų1638.6 Ų38.68%0.08221%0.212CC..Hα-helixtrans-68.4-42.2177.4-72.9166.7000111.4A31 C33 V86 H87 R91 A92 G93 K94 C96A31-I89 HydrophobicContact CB-CB 4.38Å; A31-I89 HydrophobicContact CB-CD1 3.74Å; A31-I89 HydrophobicContact CB-CG1 3.72Å; A31-I89 HydrophobicContact CB-CG2 3.77Å; C33-I89 HydrophobicContact CB-CD1 4.12Å; C33-I89 WeakPolarHBondContact SG-CD1 3.45Å; V86-I89 PolarHBondContact O-N 3.41Å; H87-I89 VanDerWaalsContact C-N 3.33Å; H87-I89 PolarHBondContact O-N 3.19Å; I89-R91 VanDerWaalsContact C-N 3.33Å; I89-R91 PolarHBondContact O-N 2.76Å; I89-A92 WeakPolarHBondContact O-CB 3.29Å; I89-A92 PolarHBondContact O-N 2.97Å; I89-A92 VanDerWaalsContact O-N 3.16Å; I89-G93 PolarHBondContact O-N 3.26Å; I89-K94 HydrophobicContact CG2-CB 4.07Å; I89-K94 PolarHBondContact O-N 2.7Å; I89-C96 HydrophobicContact CB-CB 4.14Å; I89-C96 HydrophobicContact CG2-CB 3.61Å
90Q91.3Very high94.4Very high43 Ų4337.7 Ų37.720%0.20121%0.209CC..Hα-helixtrans-61.8-41.1176.2-71.8176.1-29.600111.9M1 V86 H87 A92 G93M1-Q90 HydrophobicContact CE-CB 4.34Å; M1-Q90 HydrophobicContact SD-CB 4.23Å; M1-Q90 HydrophobicContact SD-CG 4.29Å; V86-Q90 WeakPolarHBondContact O-CG 3.48Å; V86-Q90 PolarHBondContact O-N 3.45Å; V86-Q90 VanDerWaalsContact O-N 3.13Å; H87-Q90 PolarHBondContact O-N 2.89Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.36Å; Q90-G93 PolarHBondContact O-N 3.07Å; Q90-G93 VanDerWaalsContact O-N 3.08Å
91R93.9Very high94.1Very high157 Ų15740 Ų4059%0.59222%0.219SC*.Hα-helixtrans-66.2-30.1175.6-71.1-174.2-50.1-106.13112.5E84 H87 S88 I89 G93E84-R91 IonicContact OE1-CZ 3.58Å; E84-R91 IonicContact OE1-NH1 3.57Å; E84-R91 IonicContact OE1-NH2 2.65Å; E84-R91 PolarHBondContact OE1-NH2 3.27Å; E84-R91 IonicContact OE2-CZ 3.86Å; E84-R91 IonicContact OE2-NH1 3.59Å; E84-R91 PolarHBondContact OE2-NH1 2.92Å; E84-R91 VanDerWaalsContact OE2-NH1 3.11Å; E84-R91 IonicContact OE2-NH2 3.63Å; H87-R91 WeakPolarHBondContact O-CB 3.5Å; H87-R91 VanDerWaalsContact O-CG 3.29Å; H87-R91 WeakPolarHBondContact O-CG 3.44Å; H87-R91 PolarHBondContact O-N 2.96Å; S88-R91 PolarHBondContact O-N 2.79Å; I89-R91 VanDerWaalsContact C-N 3.33Å; I89-R91 PolarHBondContact O-N 2.76Å; R91-G93 PolarHBondContact O-N 3.41Å
92A94.3Very high94Very high65 Ų6540.3 Ų40.354%0.53722%0.22SC..THydrogen-bonded Turntrans-73.90.3173.100000113.6S88 I89 Q90 K94S88-A92 PolarHBondContact O-N 2.65Å; S88-A92 VanDerWaalsContact O-N 3.07Å; I89-A92 WeakPolarHBondContact O-CB 3.29Å; I89-A92 PolarHBondContact O-N 2.97Å; I89-A92 VanDerWaalsContact O-N 3.16Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.36Å; A92-K94 HydrophobicContact CB-CG 4.48Å; A92-K94 PolarHBondContact O-N 2.8Å
93G93.9Very high93.8Very high69 Ų6944.4 Ų44.471%0.71124%0.238SC*.THydrogen-bonded Turntrans749.9178.900000114.4I89 Q90 R91I89-G93 PolarHBondContact O-N 3.26Å; Q90-G93 PolarHBondContact O-N 3.07Å; Q90-G93 VanDerWaalsContact O-N 3.08Å; R91-G93 PolarHBondContact O-N 3.41Å
94K95Very high93.8Very high61 Ų6141.6 Ų41.627%0.26522%0.224SC..  trans-96.2154.1-179.8-58.7-174.1-177.2-172.50110.9P27 A31 I89 A92 C96P27-K94 WeakPolarHBondContact O-CE 3.32Å; P27-K94 PolarHBondContact O-NZ 3.32Å; A31-K94 HydrophobicContact CB-CB 4.36Å; A31-K94 HydrophobicContact CB-CD 4.06Å; I89-K94 HydrophobicContact CG2-CB 4.07Å; I89-K94 PolarHBondContact O-N 2.7Å; A92-K94 HydrophobicContact CB-CG 4.48Å; A92-K94 PolarHBondContact O-N 2.8Å; K94-C96 PolarHBondContact O-N 2.86Å
95R94.7Very high93.9Very high26 Ų2636.8 Ų36.810%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-76115.2171.6-168.6172.9-168.2-174.9-2.6109.1S2 R3 V5 Q29 Y30 A31 L184S2-R95 WeakPolarHBondContact OG-CG 3.46Å; R3-R95 PolarHBondContact O-NE 3.22Å; R3-R95 PolarHBondContact O-NH2 3.32Å; V5-R95 HydrophobicContact CG2-CG 4.49Å; V5-R95 VanDerWaalsContact CG2-CZ 3.43Å; V5-R95 VanDerWaalsContact CG2-NE 3.33Å; Q29-R95 PolarHBondContact O-N 2.9Å; Y30-R95 HydrophobicContact CD1-CB 3.93Å; Y30-R95 HydrophobicContact CD1-CG 4.44Å; Y30-R95 HydrophobicContact CE1-CB 4.32Å; A31-R95 PolarHBondContact N-O 3.39Å; R95-L184 PolarHBondContact NH1-O 3.47Å
96C95.2Very high94Very high3 Ų340 Ų402%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-69.1135.5174.1163.90000110.4P4 V5 A31 C33 I89 K94 L98P4-C96 WeakPolarHBondContact CA-O 3.17Å; V5-C96 PolarHBondContact N-O 2.74Å; A31-C96 WeakPolarHBondContact O-CA 3.37Å; C33-C96 WeakPolarHBondContact CB-SG 3.41Å; C33-C96 WeakPolarHBondContact SG-CB 3.33Å; C33-C96 CovalentContact SG-SG 2.08Å; C33-C96 PolarHBondContact SG-SG 2.67Å; I89-C96 HydrophobicContact CB-CB 4.14Å; I89-C96 HydrophobicContact CG2-CB 3.61Å; K94-C96 PolarHBondContact O-N 2.86Å; C96-L98 WeakPolarHBondContact SG-CD1 3.32Å
97I96.6Very high94Very high3 Ų341.6 Ų41.62%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-111.9122.5167.5-57171.4000108.1V5 L7 L19 L22 Y30 A31 V32 C33V5-I97 HydrophobicContact CB-CG1 4.41Å; V5-I97 CarbonylContact O-C 3.6Å; V5-I97 VanDerWaalsContact O-CA 3.25Å; V5-I97 WeakPolarHBondContact O-CA 3.15Å; L7-I97 HydrophobicContact CB-CG2 4.37Å; L19-I97 HydrophobicContact CD2-CD1 4.22Å; L19-I97 HydrophobicContact CD2-CG2 3.65Å; L22-I97 HydrophobicContact CD2-CD1 3.19Å; Y30-I97 HydrophobicContact CD1-CD1 4.01Å; Y30-I97 HydrophobicContact CG-CD1 4.2Å; A31-I97 PolarHBondContact O-N 3.47Å; V32-I97 CarbonylContact C-O 3.58Å; V32-I97 WeakPolarHBondContact CA-O 3.46Å; V32-I97 HydrophobicContact CG2-CB 4.21Å; V32-I97 HydrophobicContact CG2-CG2 4.5Å; C33-I97 PolarHBondContact N-O 2.92Å
98L96.2Very high94.1Very high0 Ų037.9 Ų37.90%021%0.209CC..EExtended strand (participates in β ladder)trans-95.3119.3174-63.890.4000108.8P4 V5 V6 L7 C33 L69 T81 V86 C96 I100 V108P4-L98 HydrophobicContact CB-CD1 3.91Å; V5-L98 PolarHBondContact O-N 3.08Å; V6-L98 WeakPolarHBondContact CA-O 3.36Å; V6-L98 HydrophobicContact CG2-CB 4.15Å; V6-L98 HydrophobicContact CG2-CD1 4.23Å; L7-L98 PolarHBondContact N-O 3.44Å; C33-L98 HydrophobicContact CB-CG 4.46Å; L69-L98 HydrophobicContact CD2-CD2 3.54Å; T81-L98 HydrophobicContact CG2-CD2 4.2Å; V86-L98 HydrophobicContact CG2-CD2 4.35Å; C96-L98 WeakPolarHBondContact SG-CD1 3.32Å; L98-I100 HydrophobicContact CB-CD1 4.29Å; L98-I100 HydrophobicContact CB-CG1 4.46Å; L98-I100 HydrophobicContact CB-CG2 4.4Å; L98-I100 HydrophobicContact CD2-CD1 4.49Å; L98-V108 HydrophobicContact CD2-CG2 4.15Å
99D95.1Very high94.1Very high33 Ų3338.8 Ų38.818%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-95.295172-176.27.9000109K15 L19 V32K15-D99 WeakPolarHBondContact CD-OD1 3.19Å; K15-D99 WeakPolarHBondContact CE-OD1 3.33Å; L19-D99 HydrophobicContact CD1-CB 3.83Å; V32-D99 HydrophobicContact CG1-CB 4.31Å
100I93.7Very high94Very high2 Ų246.7 Ų46.71%0.0124%0.239CC..  trans-141.9152.8-171.860.7-178.9000112V6 L7 S8 E70 T81 L98 V105 V108V6-I100 HydrophobicContact CG1-CD1 3.78Å; V6-I100 HydrophobicContact CG1-CG1 3.66Å; V6-I100 HydrophobicContact CG2-CD1 4.29Å; L7-I100 PolarHBondContact O-N 3.16Å; S8-I100 WeakPolarHBondContact CA-O 3.4Å; S8-I100 WeakPolarHBondContact CB-O 3.42Å; S8-I100 PolarHBondContact OG-O 2.73Å; E70-I100 HydrophobicContact CG-CD1 4.43Å; E70-I100 HydrophobicContact CG-CG2 4.4Å; E70-I100 WeakPolarHBondContact OE1-CG2 3.43Å; T81-I100 WeakPolarHBondContact OG1-CG2 3.43Å; L98-I100 HydrophobicContact CB-CD1 4.29Å; L98-I100 HydrophobicContact CB-CG1 4.46Å; L98-I100 HydrophobicContact CB-CG2 4.4Å; L98-I100 HydrophobicContact CD2-CD1 4.49Å; I100-V105 HydrophobicContact CG1-CG2 4.43Å; I100-V108 HydrophobicContact CD1-CB 4.43Å; I100-V108 HydrophobicContact CD1-CG2 3.57Å
101E91.4Very high93.9Very high50 Ų5046.3 Ų46.323%0.23424%0.24CC..  trans-78.1172.5173.2-61.685.1177.200112.8Q103 G104 V105E101-Q103 PolarHBondContact O-N 3.12Å; E101-Q103 VanDerWaalsContact O-N 3.1Å; E101-G104 WeakPolarHBondContact O-CA 3.47Å; E101-G104 PolarHBondContact O-N 3.1Å; E101-V105 PolarHBondContact O-N 2.85Å; E101-V105 VanDerWaalsContact O-N 3.07Å
102I94.1Very high93.7Very high5 Ų549.3 Ų49.33%0.02626%0.258CS..Hα-helixtrans-55.5-33.1-175.4-170.6171.4000113.9G104 V105 R106 D153 A156 A157 L163 F164I102-G104 VanDerWaalsContact C-N 3.32Å; I102-G104 PolarHBondContact O-N 3.3Å; I102-V105 WeakPolarHBondContact O-CB 3.16Å; I102-V105 PolarHBondContact O-N 3Å; I102-R106 WeakPolarHBondContact O-CG 3.4Å; I102-R106 PolarHBondContact O-N 2.89Å; I102-R106 VanDerWaalsContact O-N 3.07Å; I102-D153 HydrophobicContact CG2-CB 4.24Å; I102-A156 VanDerWaalsContact CD1-C 3.45Å; I102-A156 HydrophobicContact CD1-CB 3.73Å; I102-A157 VanDerWaalsContact CD1-CA 3.48Å; I102-A157 HydrophobicContact CD1-CB 3.93Å; I102-A157 VanDerWaalsContact CD1-N 3.28Å; I102-L163 HydrophobicContact CD1-CD1 4.43Å; I102-L163 HydrophobicContact CG1-CD1 4.2Å; I102-F164 HydrophobicContact CD1-CE2 4.3Å; I102-F164 HydrophobicContact CD1-CZ 4.39Å; I102-F164 HydrophobicContact CG1-CZ 4.19Å
103Q91.6Very high93.5Very high100 Ų10047.8 Ų47.847%0.46724%0.241SC..Hα-helixtrans-60.5-44174.3-177174.619.400111.5A72 E101 R106 A107A72-Q103 HydrophobicContact CB-CG 4.4Å; E101-Q103 PolarHBondContact O-N 3.12Å; E101-Q103 VanDerWaalsContact O-N 3.1Å; Q103-R106 PolarHBondContact O-N 2.66Å; Q103-A107 PolarHBondContact O-N 3.5Å
104G93.1Very high93.4Very high2 Ų249.2 Ų49.22%0.02123%0.232CC..Hα-helixtrans-62.6-42173.300000111.6E70 E101 I102 R106 A107 V108E70-G104 WeakPolarHBondContact OE2-CA 3.42Å; E101-G104 WeakPolarHBondContact O-CA 3.47Å; E101-G104 PolarHBondContact O-N 3.1Å; I102-G104 VanDerWaalsContact C-N 3.32Å; I102-G104 PolarHBondContact O-N 3.3Å; G104-R106 VanDerWaalsContact C-N 3.29Å; G104-R106 PolarHBondContact O-N 3.45Å; G104-A107 WeakPolarHBondContact O-CB 3.21Å; G104-A107 PolarHBondContact O-N 2.99Å; G104-V108 WeakPolarHBondContact O-CG2 3.15Å; G104-V108 PolarHBondContact O-N 3.2Å
105V96Very high93.4Very high0 Ų046.4 Ų46.40%022%0.22CC..Hα-helixtrans-55.4-43.8176.3-173.20000111.7V6 S8 I100 E101 I102 A107 V108 R109 C117 L163 F164V6-V105 HydrophobicContact CG1-CG2 3.85Å; S8-V105 VanDerWaalsContact CB-CG2 3.43Å; S8-V105 WeakPolarHBondContact OG-CG2 3.23Å; I100-V105 HydrophobicContact CG1-CG2 4.43Å; E101-V105 PolarHBondContact O-N 2.85Å; E101-V105 VanDerWaalsContact O-N 3.07Å; I102-V105 WeakPolarHBondContact O-CB 3.16Å; I102-V105 PolarHBondContact O-N 3Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 2.91Å; V105-V108 PolarHBondContact O-N 2.85Å; V105-R109 HydrophobicContact CG1-CG 4.24Å; V105-R109 WeakPolarHBondContact O-CB 3.44Å; V105-R109 WeakPolarHBondContact O-CG 3.23Å; V105-R109 PolarHBondContact O-N 3.39Å; V105-C117 HydrophobicContact CG1-CB 4.34Å; V105-L163 HydrophobicContact CG1-CB 4.12Å; V105-F164 HydrophobicContact CG1-CE1 4.14Å; V105-F164 HydrophobicContact CG1-CZ 4.43Å; V105-F164 HydrophobicContact CG2-CE1 4Å; V105-F164 HydrophobicContact CG2-CZ 4.29Å
106R95.2Very high93.4Very high75 Ų7545.3 Ų45.328%0.28322%0.216SC..Hα-helixtrans-60.8-38.2176.6-66.1177.9-169.2118.1-2.1112.4I102 Q103 G104 K110 E160 L163I102-R106 WeakPolarHBondContact O-CG 3.4Å; I102-R106 PolarHBondContact O-N 2.89Å; I102-R106 VanDerWaalsContact O-N 3.07Å; Q103-R106 PolarHBondContact O-N 2.66Å; G104-R106 VanDerWaalsContact C-N 3.29Å; G104-R106 PolarHBondContact O-N 3.45Å; R106-K110 WeakPolarHBondContact O-CG 2.69Å; R106-E160 IonicContact CZ-OE1 3.42Å; R106-E160 IonicContact CZ-OE2 2.67Å; R106-E160 IonicContact NE-OE1 3.22Å; R106-E160 PolarHBondContact NE-OE1 2.94Å; R106-E160 IonicContact NE-OE2 2.92Å; R106-E160 PolarHBondContact NE-OE2 3.48Å; R106-E160 IonicContact NH2-OE1 3.62Å; R106-E160 PolarHBondContact NH2-OE1 2.91Å; R106-E160 IonicContact NH2-OE2 3.49Å; R106-L163 HydrophobicContact CG-CD1 3.7Å
107A93.1Very high93.5Very high37 Ų3745.1 Ų45.131%0.30622%0.215SC..Hα-helixtrans-71.2-47.4177.300000111.1E70 Q103 G104 V105 R109 K110 S111E70-A107 HydrophobicContact CB-CB 3.69Å; Q103-A107 PolarHBondContact O-N 3.5Å; G104-A107 WeakPolarHBondContact O-CB 3.21Å; G104-A107 PolarHBondContact O-N 2.99Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 2.91Å; A107-R109 PolarHBondContact O-N 3.31Å; A107-K110 WeakPolarHBondContact O-CB 3.15Å; A107-K110 PolarHBondContact O-N 3.04Å; A107-S111 PolarHBondContact O-N 2.92Å
108V93.9Very high93.6Very high0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-65-37.4-179.2-177.60000111.7V6 L69 E70 L98 I100 G104 V105 K110 S111 L113 P115V6-V108 HydrophobicContact CG2-CB 4.5Å; V6-V108 HydrophobicContact CG2-CG1 3.98Å; L69-V108 HydrophobicContact CD2-CG2 3.87Å; L69-V108 HydrophobicContact CG-CG2 4.14Å; E70-V108 HydrophobicContact CB-CG2 4.49Å; E70-V108 HydrophobicContact CG-CG2 4.17Å; L98-V108 HydrophobicContact CD2-CG2 4.15Å; I100-V108 HydrophobicContact CD1-CB 4.43Å; I100-V108 HydrophobicContact CD1-CG2 3.57Å; G104-V108 WeakPolarHBondContact O-CG2 3.15Å; G104-V108 PolarHBondContact O-N 3.2Å; V105-V108 PolarHBondContact O-N 2.85Å; V108-K110 PolarHBondContact O-N 2.75Å; V108-S111 VanDerWaalsContact O-CB 3.28Å; V108-S111 WeakPolarHBondContact O-CB 3.47Å; V108-S111 PolarHBondContact O-N 3.45Å; V108-S111 PolarHBondContact O-OG 2.82Å; V108-L113 HydrophobicContact CG1-CD1 4.17Å; V108-P115 HydrophobicContact CG1-CB 4.24Å; V108-P115 HydrophobicContact CG1-CG 3.86Å
109R94Very high93.7Very high67 Ų6745.5 Ų45.525%0.25322%0.217SC..Hα-helixtrans-62.7-24.2174.4-78.4-67.6-162.8-173.87.5113.5V105 A107 S111 P115 C117 L163 D165V105-R109 HydrophobicContact CG1-CG 4.24Å; V105-R109 WeakPolarHBondContact O-CB 3.44Å; V105-R109 WeakPolarHBondContact O-CG 3.23Å; V105-R109 PolarHBondContact O-N 3.39Å; A107-R109 PolarHBondContact O-N 3.31Å; R109-S111 VanDerWaalsContact C-N 3.35Å; R109-P115 PolarHBondContact NH1-O 3.39Å; R109-C117 PolarHBondContact NE-SG 2.87Å; R109-L163 HydrophobicContact CB-CD2 4.41Å; R109-L163 HydrophobicContact CG-CD2 4.09Å; R109-L163 VanDerWaalsContact CZ-O 3.29Å; R109-L163 PolarHBondContact NE-O 2.97Å; R109-L163 PolarHBondContact NH2-O 3.03Å; R109-D165 IonicContact CZ-OD1 2.66Å; R109-D165 IonicContact CZ-OD2 3.63Å; R109-D165 IonicContact NH1-OD1 3.47Å; R109-D165 IonicContact NH1-OD2 3.02Å; R109-D165 PolarHBondContact NH1-OD2 3.4Å; R109-D165 IonicContact NH2-OD1 2.66Å; R109-D165 PolarHBondContact NH2-OD1 2.89Å; R109-D165 IonicContact NH2-OD2 3.29Å; R109-D165 PolarHBondContact NH2-OD2 3.27Å
110K92Very high93.8Very high183 Ų18344 Ų4480%0.79621%0.208SC*.THydrogen-bonded Turntrans-85.1-9.5173.7-65.1171.1-175-179.90113R106 A107 V108R106-K110 WeakPolarHBondContact O-CG 2.69Å; A107-K110 WeakPolarHBondContact O-CB 3.15Å; A107-K110 PolarHBondContact O-N 3.04Å; V108-K110 PolarHBondContact O-N 2.75Å
111S89.8Confident94Very high34 Ų3447.5 Ų47.524%0.23822%0.224CC..SBendtrans-83.9169.6179.383.40000112.2A107 V108 R109 L113A107-S111 PolarHBondContact O-N 2.92Å; V108-S111 VanDerWaalsContact O-CB 3.28Å; V108-S111 WeakPolarHBondContact O-CB 3.47Å; V108-S111 PolarHBondContact O-N 3.45Å; V108-S111 PolarHBondContact O-OG 2.82Å; R109-S111 VanDerWaalsContact C-N 3.35Å; S111-L113 PolarHBondContact O-N 3.05Å; S111-L113 WeakPolarHBondContact OG-CB 3.37Å; S111-L113 WeakPolarHBondContact OG-CG 3.38Å; S111-L113 PolarHBondContact OG-N 3.32Å
112K88.8Confident94.2Very high220 Ų22045.6 Ų45.696%0.95722%0.216SC*.THydrogen-bonded Turntrans-77.92.9174.9-62.7-176.2-180178.90113.9N114K112-N114 VanDerWaalsContact C-N 3.27Å; K112-N114 PolarHBondContact O-N 3.39Å
113L90.2Very high94.3Very high34 Ų3448 Ų4818%0.17823%0.232CC..THydrogen-bonded Turntrans-70.4-20.8-173.7-71.2177.7000114.1P4 L69 V86 V108 S111P4-L113 VanDerWaalsContact CD-O 3.23Å; P4-L113 WeakPolarHBondContact CD-O 3.26Å; P4-L113 HydrophobicContact CG-CB 3.9Å; P4-L113 WeakPolarHBondContact CG-O 3.46Å; L69-L113 HydrophobicContact CD1-CD1 3.78Å; L69-L113 HydrophobicContact CD2-CD1 3.43Å; L69-L113 VanDerWaalsContact CD2-CD1 3.43Å; L69-L113 HydrophobicContact CG-CD1 4.26Å; V86-L113 HydrophobicContact CG1-CD1 4.47Å; V86-L113 HydrophobicContact CG1-CD2 4.28Å; V108-L113 HydrophobicContact CG1-CD1 4.17Å; S111-L113 PolarHBondContact O-N 3.05Å; S111-L113 WeakPolarHBondContact OG-CB 3.37Å; S111-L113 WeakPolarHBondContact OG-CG 3.38Å; S111-L113 PolarHBondContact OG-N 3.32Å
114N91.5Very high94.5Very high98 Ų9845.1 Ų45.152%0.52422%0.223SC..  trans45.357.3-176.3-172.527.9000113R3 K112R3-N114 PolarHBondContact NE-O 3.32Å; K112-N114 VanDerWaalsContact C-N 3.27Å; K112-N114 PolarHBondContact O-N 3.39Å
115P94.3Very high94.5Very high3 Ų348 Ų482%0.01924%0.237CC..PPolyproline II helixtrans-68.7160.7-173.734.3-41.5000112.2R3 P4 V6 V108 R109R3-P115 PolarHBondContact NH2-O 3.27Å; P4-P115 HydrophobicContact CG-CB 4.37Å; P4-P115 CarbonylContact O-C 3.55Å; P4-P115 VanDerWaalsContact O-CA 3.25Å; P4-P115 WeakPolarHBondContact O-CA 3.43Å; V6-P115 HydrophobicContact CG2-CB 3.77Å; V6-P115 HydrophobicContact CG2-CG 4.32Å; V108-P115 HydrophobicContact CG1-CB 4.24Å; V108-P115 HydrophobicContact CG1-CG 3.86Å; R109-P115 PolarHBondContact NH1-O 3.39Å
116I95.4Very high94.5Very high2 Ų254.4 Ų54.41%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-90119.8153.4-57.4-173.1000107.2R3 P4 V5 V6 I118 D165R3-I116 HydrophobicContact CB-CG1 4.39Å; R3-I116 VanDerWaalsContact CZ-CG1 3.49Å; P4-I116 PolarHBondContact O-N 3.22Å; V5-I116 CarbonylContact C-O 3.58Å; V5-I116 WeakPolarHBondContact CA-O 3.29Å; V5-I116 HydrophobicContact CG2-CB 4.44Å; V6-I116 PolarHBondContact N-O 3.43Å; I116-I118 HydrophobicContact CG2-CG1 4.22Å; I116-D165 VanDerWaalsContact CA-OD2 3.3Å; I116-D165 WeakPolarHBondContact CA-OD2 3.39Å; I116-D165 HydrophobicContact CG2-CB 4.29Å
117C97.4Very high94.5Very high0 Ų053.3 Ų53.30%027%0.269CS..EExtended strand (participates in β ladder)trans-103.7120.6-178.8-66.70000111.1V6 V105 R109 L163 F164 D165 H166V6-C117 HydrophobicContact CB-CB 4.4Å; V105-C117 HydrophobicContact CG1-CB 4.34Å; R109-C117 PolarHBondContact NE-SG 2.87Å; C117-L163 VanDerWaalsContact CB-O 3.23Å; C117-L163 WeakPolarHBondContact CB-O 3.35Å; C117-F164 HydrophobicContact CB-CD1 4.26Å; C117-F164 CarbonylContact O-C 3.57Å; C117-D165 PolarHBondContact N-OD2 2.8Å; C117-D165 PolarHBondContact O-N 2.94Å; C117-H166 PolarHBondContact O-N 2.98Å
118I98Very high94.6Very high1 Ų151.5 Ų51.51%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-116.7126.2-179.1-54.9177000108.6V5 V6 L7 S8 I116 H166 I168 L180 L183V5-I118 HydrophobicContact CG1-CD1 3.92Å; V5-I118 HydrophobicContact CG1-CG1 4.36Å; V6-I118 PolarHBondContact O-N 2.8Å; L7-I118 HydrophobicContact CD1-CB 4.14Å; L7-I118 HydrophobicContact CD1-CG2 4.01Å; S8-I118 PolarHBondContact N-O 2.87Å; I116-I118 HydrophobicContact CG2-CG1 4.22Å; I118-H166 WeakPolarHBondContact CA-O 3.32Å; I118-H166 HydrophobicContact CG1-CB 4.35Å; I118-H166 HydrophobicContact CG2-CB 4.41Å; I118-I168 HydrophobicContact CG2-CD1 3.78Å; I118-I168 HydrophobicContact CG2-CG1 3.91Å; I118-L180 HydrophobicContact CD1-CD1 3.73Å; I118-L183 HydrophobicContact CD1-CB 4.22Å; I118-L183 HydrophobicContact CD1-CD1 4.1Å; I118-L183 HydrophobicContact CG2-CD1 4.49Å
119L98.3Very high94.7Very high10 Ų1054.5 Ų54.55%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-92.7118.5172.6-179.467.2000110.4S8 K121 A157 F164 H166 V167 I168S8-L119 CarbonylContact O-C 3.59Å; S8-L119 WeakPolarHBondContact O-CA 3.45Å; L119-K121 HydrophobicContact CD2-CD 3.95Å; L119-K121 HydrophobicContact CD2-CG 3.83Å; L119-K121 HydrophobicContact CG-CG 3.88Å; L119-A157 HydrophobicContact CD1-CB 4.08Å; L119-A157 HydrophobicContact CD2-CB 3.73Å; L119-F164 HydrophobicContact CB-CB 4.36Å; L119-F164 HydrophobicContact CB-CD1 3.61Å; L119-F164 HydrophobicContact CB-CD2 4.32Å; L119-F164 HydrophobicContact CB-CE1 3.91Å; L119-F164 HydrophobicContact CB-CG 3.83Å; L119-F164 HydrophobicContact CB-CZ 4.4Å; L119-F164 HydrophobicContact CD1-CE1 4.03Å; L119-F164 HydrophobicContact CD1-CE2 4.41Å; L119-F164 HydrophobicContact CD1-CZ 3.93Å; L119-F164 HydrophobicContact CD2-CD2 4.44Å; L119-F164 HydrophobicContact CD2-CE2 4.47Å; L119-H166 PolarHBondContact N-O 2.82Å; L119-V167 HydrophobicContact CB-CG1 4.39Å; L119-V167 HydrophobicContact CB-CG2 4.21Å; L119-V167 HydrophobicContact CD2-CG1 4.2Å; L119-V167 HydrophobicContact CD2-CG2 4.32Å; L119-V167 HydrophobicContact CG-CG1 4.49Å; L119-V167 CarbonylContact O-C 3.49Å; L119-V167 WeakPolarHBondContact O-CA 3.4Å; L119-I168 PolarHBondContact O-N 3.37Å
120L98.2Very high94.8Very high0 Ų054.1 Ų54.10%028%0.275CS..EExtended strand (participates in β ladder)trans-95.5112169.7-168.669.7000110.4L7 S8 G9 C13 K15 I18 I168 N170L7-L120 HydrophobicContact CD1-CB 4.05Å; S8-L120 PolarHBondContact O-N 3.35Å; G9-L120 WeakPolarHBondContact CA-O 3.16Å; C13-L120 PolarHBondContact SG-O 2.82Å; K15-L120 HydrophobicContact CG-CD2 3.92Å; I18-L120 HydrophobicContact CG2-CD2 4.19Å; L120-I168 CarbonylContact C-O 3.52Å; L120-I168 WeakPolarHBondContact CA-O 3.46Å; L120-I168 HydrophobicContact CD1-CB 3.8Å; L120-I168 HydrophobicContact CD1-CG2 3.64Å; L120-N170 HydrophobicContact CD1-CB 3.94Å; L120-N170 HydrophobicContact CG-CB 4.21Å
121K97.6Very high94.8Very high77 Ų7748.8 Ų48.834%0.33525%0.25SS..EExtended strand (participates in β ladder)trans-99.1143.6179.2-62.4178.967.9179.40111L119 L154 V167 I168 N170L119-K121 HydrophobicContact CD2-CD 3.95Å; L119-K121 HydrophobicContact CD2-CG 3.83Å; L119-K121 HydrophobicContact CG-CG 3.88Å; K121-L154 HydrophobicContact CG-CD2 4.18Å; K121-V167 HydrophobicContact CD-CG1 3.59Å; K121-V167 HydrophobicContact CG-CG1 4.06Å; K121-I168 PolarHBondContact N-O 2.87Å; K121-N170 PolarHBondContact O-N 2.65Å
122P96Very high94.9Very high9 Ų947.2 Ų47.26%0.05824%0.239CC..  trans-67.7158.5160.333.7-34.2000109.8P10 C13 S124 L128 L154P10-P122 HydrophobicContact CG-CG 4.35Å; C13-P122 HydrophobicContact CB-CB 4.4Å; P122-S124 VanDerWaalsContact C-N 3.27Å; P122-S124 PolarHBondContact O-N 2.92Å; P122-L128 HydrophobicContact CB-CB 4.14Å; P122-L128 HydrophobicContact CB-CD1 4.11Å; P122-L128 HydrophobicContact CG-CB 4.19Å; P122-L128 HydrophobicContact CG-CD1 4.15Å; P122-L128 HydrophobicContact CG-CD2 4.34Å; P122-L128 HydrophobicContact CG-CG 4.48Å; P122-L154 HydrophobicContact CG-CD1 4.38Å
123P95.3Very high95.2Very high57 Ų5740.9 Ų40.937%0.3721%0.209SC..SBendtrans-68.5-30.7178.228.7-34.5000111.7V127 I169 N170 D171P123-V127 HydrophobicContact CG-CB 3.79Å; P123-V127 HydrophobicContact CG-CG1 3.7Å; P123-V127 HydrophobicContact CG-CG2 3.84Å; P123-I169 HydrophobicContact CB-CG2 4.31Å; P123-N170 WeakPolarHBondContact CD-O 3.41Å; P123-D171 HydrophobicContact CB-CB 3.94Å
124S95.7Very high95.4Very high39 Ų3945.1 Ų45.127%0.27323%0.232SC..  trans-156.8169.6174.5860000111.3P122 E126 V127 L128P122-S124 VanDerWaalsContact C-N 3.27Å; P122-S124 PolarHBondContact O-N 2.92Å; S124-E126 VanDerWaalsContact C-N 3.33Å; S124-E126 WeakPolarHBondContact CB-OE2 3.42Å; S124-E126 PolarHBondContact OG-N 2.72Å; S124-E126 PolarHBondContact OG-OE2 3.26Å; S124-V127 PolarHBondContact OG-N 3.46Å; S124-L128 PolarHBondContact O-N 3.41Å
125L94.6Very high95.2Very high63 Ų6344 Ų4433%0.3322%0.221SC..Hα-helixtrans-69.9-32.2174.7-72.3173000112L128 E129 L151 L154L125-L128 HydrophobicContact CD2-CD2 4.45Å; L125-L128 WeakPolarHBondContact O-CB 3.42Å; L125-L128 PolarHBondContact O-N 3.1Å; L125-E129 WeakPolarHBondContact O-CB 3.46Å; L125-E129 PolarHBondContact O-N 3.43Å; L125-L151 HydrophobicContact CD1-CD1 3.92Å; L125-L154 HydrophobicContact CD2-CD1 3.97Å
126E95.7Very high95Very high133 Ų13347.2 Ų47.262%0.62125%0.254SS*.Hα-helixtrans-65.4-42.8178.6-58.572.3-158.200110.6S124 L128 E129 S130S124-E126 VanDerWaalsContact C-N 3.33Å; S124-E126 WeakPolarHBondContact CB-OE2 3.42Å; S124-E126 PolarHBondContact OG-N 2.72Å; S124-E126 PolarHBondContact OG-OE2 3.26Å; E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 3.07Å; E126-E129 PolarHBondContact O-N 3.39Å; E126-S130 PolarHBondContact O-N 3.36Å
127V95.2Very high94.6Very high52 Ų5249.9 Ų49.932%0.31527%0.271SS..Hα-helixtrans-65.3-38.6174173.40000110.8P123 S124 S130 R131P123-V127 HydrophobicContact CG-CB 3.79Å; P123-V127 HydrophobicContact CG-CG1 3.7Å; P123-V127 HydrophobicContact CG-CG2 3.84Å; S124-V127 PolarHBondContact OG-N 3.46Å; V127-S130 PolarHBondContact O-N 2.89Å; V127-R131 VanDerWaalsContact O-CG 3.27Å; V127-R131 WeakPolarHBondContact O-CG 3.33Å; V127-R131 PolarHBondContact O-N 3.07Å; V127-R131 VanDerWaalsContact O-N 3.08Å
128L94.8Very high94.1Very high0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-61.8-46175.2-170.468.2000111.2P10 S11 P122 S124 L125 E126 R131 L132 L147 A150P10-L128 HydrophobicContact CB-CD2 4.32Å; P10-L128 HydrophobicContact CG-CD2 4.31Å; S11-L128 WeakPolarHBondContact O-CD1 3.36Å; P122-L128 HydrophobicContact CB-CB 4.14Å; P122-L128 HydrophobicContact CB-CD1 4.11Å; P122-L128 HydrophobicContact CG-CB 4.19Å; P122-L128 HydrophobicContact CG-CD1 4.15Å; P122-L128 HydrophobicContact CG-CD2 4.34Å; P122-L128 HydrophobicContact CG-CG 4.48Å; S124-L128 PolarHBondContact O-N 3.41Å; L125-L128 HydrophobicContact CD2-CD2 4.45Å; L125-L128 WeakPolarHBondContact O-CB 3.42Å; L125-L128 PolarHBondContact O-N 3.1Å; E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 3.07Å; L128-R131 PolarHBondContact O-N 3.2Å; L128-L132 HydrophobicContact CG-CD1 4.36Å; L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 2.85Å; L128-L132 PolarHBondContact O-N 2.89Å; L128-L147 HydrophobicContact CD2-CD2 4.48Å; L128-A150 HydrophobicContact CD2-CB 3.36Å
129E95.8Very high93.8Very high63 Ų6355.7 Ų55.729%0.29430%0.304SS..Hα-helixtrans-59.2-48.8177.2177.2165.7-171.900112.1L125 E126 R131 L132 R133 L147L125-E129 WeakPolarHBondContact O-CB 3.46Å; L125-E129 PolarHBondContact O-N 3.43Å; E126-E129 PolarHBondContact O-N 3.39Å; E129-R131 VanDerWaalsContact C-N 3.34Å; E129-R131 PolarHBondContact O-N 3.01Å; E129-L132 PolarHBondContact O-N 3.31Å; E129-L132 VanDerWaalsContact O-N 3.14Å; E129-R133 HydrophobicContact CG-CG 4.38Å; E129-R133 WeakPolarHBondContact O-CG 3.41Å; E129-R133 PolarHBondContact O-N 2.85Å; E129-R133 IonicContact OE1-CZ 3.5Å; E129-R133 IonicContact OE1-NE 2.77Å; E129-R133 PolarHBondContact OE1-NE 2.88Å; E129-R133 IonicContact OE1-NH2 2.65Å; E129-R133 PolarHBondContact OE1-NH2 3.28Å; E129-L147 HydrophobicContact CB-CD1 4.03Å; E129-L147 HydrophobicContact CB-CD2 3.79Å; E129-L147 HydrophobicContact CG-CD1 3.81Å; E129-L147 HydrophobicContact CG-CD2 4.47Å
130S95.2Very high93.6Very high58 Ų5859 Ų5941%0.40632%0.319SS..Hα-helixtrans-52.9-52.7174.6-168.90000110.6E126 V127 L132 R133 D134E126-S130 PolarHBondContact O-N 3.36Å; V127-S130 PolarHBondContact O-N 2.89Å; S130-L132 VanDerWaalsContact C-N 3.29Å; S130-L132 PolarHBondContact O-N 3.35Å; S130-R133 PolarHBondContact O-N 3.16Å; S130-R133 VanDerWaalsContact O-N 3.09Å; S130-D134 WeakPolarHBondContact O-CB 3.47Å; S130-D134 PolarHBondContact O-N 2.92Å; S130-D134 VanDerWaalsContact O-OD2 3.05Å; S130-D134 PolarHBondContact OG-OD2 2.93Å; S130-D134 VanDerWaalsContact OG-OD2 3.1Å
131R93.8Very high93.4Very high71 Ų7164.8 Ų64.827%0.26835%0.346SS..Hα-helixtrans-59.1-36.7179.8-68.6171.8-176.7-179.92.9113.1G12 C13 V127 L128 E129 N170G12-R131 WeakPolarHBondContact O-CD 3.38Å; C13-R131 PolarHBondContact O-NH1 3.47Å; V127-R131 VanDerWaalsContact O-CG 3.27Å; V127-R131 WeakPolarHBondContact O-CG 3.33Å; V127-R131 PolarHBondContact O-N 3.07Å; V127-R131 VanDerWaalsContact O-N 3.08Å; L128-R131 PolarHBondContact O-N 3.2Å; E129-R131 VanDerWaalsContact C-N 3.34Å; E129-R131 PolarHBondContact O-N 3.01Å; R131-N170 PolarHBondContact NH2-O 3.34Å
132L92.1Very high93.1Very high1 Ų162.5 Ų62.51%0.00534%0.341CS..Hα-helixtrans-69.7-39.3177.6-68.2174.7000112L128 E129 S130 I143 R146 L147L128-L132 HydrophobicContact CG-CD1 4.36Å; L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 2.85Å; L128-L132 PolarHBondContact O-N 2.89Å; E129-L132 PolarHBondContact O-N 3.31Å; E129-L132 VanDerWaalsContact O-N 3.14Å; S130-L132 VanDerWaalsContact C-N 3.29Å; S130-L132 PolarHBondContact O-N 3.35Å; L132-I143 HydrophobicContact CB-CG2 4.39Å; L132-R146 HydrophobicContact CD1-CB 3.94Å; L132-L147 HydrophobicContact CD1-CD2 3.7Å; L132-L147 HydrophobicContact CD1-CG 3.91Å
133R94.6Very high92.9Very high88 Ų8862.5 Ų62.533%0.33234%0.341SS..Hα-helixtrans-70.8-45.3177.6-70.3176.4178.7-65-6.6111.8E129 S130 R135 G136 E140 I143E129-R133 HydrophobicContact CG-CG 4.38Å; E129-R133 WeakPolarHBondContact O-CG 3.41Å; E129-R133 PolarHBondContact O-N 2.85Å; E129-R133 IonicContact OE1-CZ 3.5Å; E129-R133 IonicContact OE1-NE 2.77Å; E129-R133 PolarHBondContact OE1-NE 2.88Å; E129-R133 IonicContact OE1-NH2 2.65Å; E129-R133 PolarHBondContact OE1-NH2 3.28Å; S130-R133 PolarHBondContact O-N 3.16Å; S130-R133 VanDerWaalsContact O-N 3.09Å; R133-R135 PolarHBondContact O-N 3.35Å; R133-R135 VanDerWaalsContact O-N 3.13Å; R133-G136 PolarHBondContact O-N 2.92Å; R133-E140 IonicContact CZ-OE1 3.61Å; R133-E140 IonicContact CZ-OE2 3.91Å; R133-E140 IonicContact NH1-OE1 2.66Å; R133-E140 IonicContact NH1-OE2 2.73Å; R133-E140 PolarHBondContact NH1-OE2 2.69Å; R133-E140 IonicContact NH2-OE1 3.49Å; R133-E140 PolarHBondContact NH2-OE1 2.83Å; R133-E140 IonicContact NH2-OE2 3.88Å; R133-E140 PolarHBondContact NH2-OE2 3.43Å; R133-I143 HydrophobicContact CG-CD1 4.04Å; R133-I143 HydrophobicContact CG-CG2 4.27Å
134D93.4Very high92.9Very high123 Ų12363.2 Ų63.266%0.65834%0.339SS*.Hα-helixtrans-60.2-26.5-178.5-66.9-25.7000112.8S130 G136S130-D134 WeakPolarHBondContact O-CB 3.47Å; S130-D134 PolarHBondContact O-N 2.92Å; S130-D134 VanDerWaalsContact O-OD2 3.05Å; S130-D134 PolarHBondContact OG-OD2 2.93Å; S130-D134 VanDerWaalsContact OG-OD2 3.1Å; D134-G136 PolarHBondContact O-N 3.44Å
135R88.5Confident92.8Very high75 Ų7567.6 Ų67.628%0.28335%0.353SS..THydrogen-bonded Turntrans-62.6-27.7174.4-176.3171.442.9-166-5.6112.9R133 T137 E138R133-R135 PolarHBondContact O-N 3.35Å; R133-R135 VanDerWaalsContact O-N 3.13Å; R135-T137 HydrophobicContact CG-CG2 4.13Å; R135-T137 WeakPolarHBondContact O-CG2 3.36Å; R135-T137 PolarHBondContact O-N 2.99Å; R135-E138 IonicContact CZ-OE1 3.78Å; R135-E138 IonicContact NE-OE1 3.47Å; R135-E138 PolarHBondContact NE-OE1 3.41Å; R135-E138 IonicContact NH1-OE1 2.93Å; R135-E138 IonicContact NH2-OE1 3.19Å; R135-E138 PolarHBondContact NH2-OE1 2.81Å
136G88.6Confident92.7Very high70 Ų7066.2 Ų66.272%0.72234%0.343SS*.  trans64.313.1171.900000116.5R133 D134R133-G136 PolarHBondContact O-N 2.92Å; D134-G136 PolarHBondContact O-N 3.44Å
137T87.7Confident92.6Very high58 Ų5860.7 Ų60.736%0.35632%0.318SS..  trans-105.1-0.5-176.362.10000114.6R135R135-T137 HydrophobicContact CG-CG2 4.13Å; R135-T137 WeakPolarHBondContact O-CG2 3.36Å; R135-T137 PolarHBondContact O-N 2.99Å
138E86.9Confident92.6Very high39 Ų3962.6 Ų62.618%0.18233%0.327CS..SBendtrans-131147.1-167.7-55.9-163.3-133.200111.2R42 R135 A142 I143 R146R42-E138 IonicContact CZ-OE1 3.34Å; R42-E138 IonicContact NE-OE1 3.95Å; R42-E138 IonicContact NH2-OE1 2.72Å; R42-E138 PolarHBondContact NH2-OE1 2.92Å; R135-E138 IonicContact CZ-OE1 3.78Å; R135-E138 IonicContact NE-OE1 3.47Å; R135-E138 PolarHBondContact NE-OE1 3.41Å; R135-E138 IonicContact NH1-OE1 2.93Å; R135-E138 IonicContact NH2-OE1 3.19Å; R135-E138 PolarHBondContact NH2-OE1 2.81Å; E138-A142 HydrophobicContact CB-CB 4.09Å; E138-I143 HydrophobicContact CB-CG1 4.04Å; E138-R146 IonicContact OE1-CZ 2.84Å; E138-R146 IonicContact OE1-NE 3.56Å; E138-R146 PolarHBondContact OE1-NE 2.9Å; E138-R146 IonicContact OE1-NH2 3.49Å; E138-R146 PolarHBondContact OE1-NH2 3.33Å; E138-R146 IonicContact OE2-CZ 2.91Å; E138-R146 VanDerWaalsContact OE2-CZ 3.29Å; E138-R146 IonicContact OE2-NE 2.72Å; E138-R146 PolarHBondContact OE2-NE 2.79Å; E138-R146 IonicContact OE2-NH2 2.65Å; E138-R146 PolarHBondContact OE2-NH2 3.26Å
139T91.7Very high92.5Very high84 Ų8464.8 Ų64.852%0.51534%0.338SS..  trans-72.2162.5173.676.60000110.6E141 A142 I143T139-E141 VanDerWaalsContact CB-OE2 3.24Å; T139-E141 WeakPolarHBondContact CB-OE2 3.36Å; T139-E141 PolarHBondContact O-N 3.27Å; T139-E141 PolarHBondContact OG1-OE2 2.76Å; T139-A142 WeakPolarHBondContact O-CB 3.49Å; T139-A142 PolarHBondContact O-N 2.73Å; T139-A142 PolarHBondContact OG1-N 3.04Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 2.9Å
140E95.3Very high92.4Very high79 Ų7961.9 Ų61.937%0.36933%0.325SS..Hα-helixtrans-54.9-42.8176.5-175.157.4-149.600111.6R133 A142 I143 Q144R133-E140 IonicContact CZ-OE1 3.61Å; R133-E140 IonicContact CZ-OE2 3.91Å; R133-E140 IonicContact NH1-OE1 2.66Å; R133-E140 IonicContact NH1-OE2 2.73Å; R133-E140 PolarHBondContact NH1-OE2 2.69Å; R133-E140 IonicContact NH2-OE1 3.49Å; R133-E140 PolarHBondContact NH2-OE1 2.83Å; R133-E140 IonicContact NH2-OE2 3.88Å; R133-E140 PolarHBondContact NH2-OE2 3.43Å; E140-A142 VanDerWaalsContact C-N 3.3Å; E140-A142 PolarHBondContact O-N 3.08Å; E140-I143 PolarHBondContact O-N 3.27Å; E140-Q144 HydrophobicContact CG-CG 4.46Å; E140-Q144 WeakPolarHBondContact O-CG 3.42Å; E140-Q144 PolarHBondContact O-N 3.16Å; E140-Q144 PolarHBondContact OE1-NE2 3.3Å
141E93.8Very high92.4Very high122 Ų12262 Ų6257%0.5732%0.321SS*.Hα-helixtrans-63.6-36.4179.5-56.373.5-15900111.9T139 K145T139-E141 VanDerWaalsContact CB-OE2 3.24Å; T139-E141 WeakPolarHBondContact CB-OE2 3.36Å; T139-E141 PolarHBondContact O-N 3.27Å; T139-E141 PolarHBondContact OG1-OE2 2.76Å; E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.19Å; E141-K145 PolarHBondContact O-N 3.41Å
142A90.3Very high92.4Very high29 Ų2965.6 Ų65.624%0.2434%0.338CS..Hα-helixtrans-70.8-39.7175.900000111.6E138 T139 E140 K145 R146E138-A142 HydrophobicContact CB-CB 4.09Å; T139-A142 WeakPolarHBondContact O-CB 3.49Å; T139-A142 PolarHBondContact O-N 2.73Å; T139-A142 PolarHBondContact OG1-N 3.04Å; E140-A142 VanDerWaalsContact C-N 3.3Å; E140-A142 PolarHBondContact O-N 3.08Å; A142-K145 PolarHBondContact O-N 3.29Å; A142-R146 WeakPolarHBondContact O-CG 3.3Å; A142-R146 PolarHBondContact O-N 2.77Å
143I92.9Very high92.5Very high9 Ų966.8 Ų66.85%0.04635%0.345CS..Hα-helixtrans-60.7-48.9174.2-67.4169.1000110L132 R133 E138 T139 E140 K145 R146 L147L132-I143 HydrophobicContact CB-CG2 4.39Å; R133-I143 HydrophobicContact CG-CD1 4.04Å; R133-I143 HydrophobicContact CG-CG2 4.27Å; E138-I143 HydrophobicContact CB-CG1 4.04Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 2.9Å; E140-I143 PolarHBondContact O-N 3.27Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.1Å; I143-R146 WeakPolarHBondContact O-CB 3.44Å; I143-R146 PolarHBondContact O-N 3.06Å; I143-L147 HydrophobicContact CG2-CD1 4.04Å; I143-L147 HydrophobicContact CG2-CG 4.49Å; I143-L147 PolarHBondContact O-N 3.49Å
144Q94.9Very high92.6Very high72 Ų7263.9 Ų63.934%0.33634%0.336SS..Hα-helixtrans-61.4-39.7177.5-67.6-55.6-34.500112.5E140 R146 L147 N148E140-Q144 HydrophobicContact CG-CG 4.46Å; E140-Q144 WeakPolarHBondContact O-CG 3.42Å; E140-Q144 PolarHBondContact O-N 3.16Å; E140-Q144 PolarHBondContact OE1-NE2 3.3Å; Q144-R146 VanDerWaalsContact C-N 3.3Å; Q144-R146 PolarHBondContact O-N 3.02Å; Q144-L147 PolarHBondContact O-N 2.91Å; Q144-N148 WeakPolarHBondContact O-CB 3.46Å; Q144-N148 PolarHBondContact O-N 3.28Å; Q144-N148 PolarHBondContact O-ND2 3.13Å
145K93.2Very high92.7Very high131 Ų13164 Ų6457%0.5733%0.33SS*.Hα-helixtrans-60.8-38.8173.5-77.8173.4-177.61770112E141 A142 I143 L149E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.19Å; E141-K145 PolarHBondContact O-N 3.41Å; A142-K145 PolarHBondContact O-N 3.29Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.1Å; K145-L149 PolarHBondContact O-N 2.8Å
146R92.2Very high93.1Very high33 Ų3361.4 Ų61.413%0.12533%0.325CS..Hα-helixtrans-70.3-42.2176.5-73.4-172.2-169.6-77.4-9.5113.1R42 F74 L132 E138 A142 I143 Q144 N148 L149 A150R42-R146 VanDerWaalsContact NH2-CZ 3.29Å; R42-R146 VanDerWaalsContact NH2-NH2 3.12Å; F74-R146 HydrophobicContact CE1-CG 4.07Å; F74-R146 HydrophobicContact CZ-CG 3.8Å; L132-R146 HydrophobicContact CD1-CB 3.94Å; E138-R146 IonicContact OE1-CZ 2.84Å; E138-R146 IonicContact OE1-NE 3.56Å; E138-R146 PolarHBondContact OE1-NE 2.9Å; E138-R146 IonicContact OE1-NH2 3.49Å; E138-R146 PolarHBondContact OE1-NH2 3.33Å; E138-R146 IonicContact OE2-CZ 2.91Å; E138-R146 VanDerWaalsContact OE2-CZ 3.29Å; E138-R146 IonicContact OE2-NE 2.72Å; E138-R146 PolarHBondContact OE2-NE 2.79Å; E138-R146 IonicContact OE2-NH2 2.65Å; E138-R146 PolarHBondContact OE2-NH2 3.26Å; A142-R146 WeakPolarHBondContact O-CG 3.3Å; A142-R146 PolarHBondContact O-N 2.77Å; I143-R146 WeakPolarHBondContact O-CB 3.44Å; I143-R146 PolarHBondContact O-N 3.06Å; Q144-R146 VanDerWaalsContact C-N 3.3Å; Q144-R146 PolarHBondContact O-N 3.02Å; R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 2.66Å; R146-L149 PolarHBondContact O-N 2.66Å; R146-A150 WeakPolarHBondContact O-CB 3.49Å; R146-A150 PolarHBondContact O-N 3.16Å
147L94.7Very high93.4Very high18 Ų1858.2 Ų58.29%0.09429%0.292CS..Hα-helixtrans-61.6-43.9176.7-72.5170.8000111.4L128 E129 L132 I143 Q144 L149 A150 L151L128-L147 HydrophobicContact CD2-CD2 4.48Å; E129-L147 HydrophobicContact CB-CD1 4.03Å; E129-L147 HydrophobicContact CB-CD2 3.79Å; E129-L147 HydrophobicContact CG-CD1 3.81Å; E129-L147 HydrophobicContact CG-CD2 4.47Å; L132-L147 HydrophobicContact CD1-CD2 3.7Å; L132-L147 HydrophobicContact CD1-CG 3.91Å; I143-L147 HydrophobicContact CG2-CD1 4.04Å; I143-L147 HydrophobicContact CG2-CG 4.49Å; I143-L147 PolarHBondContact O-N 3.49Å; Q144-L147 PolarHBondContact O-N 2.91Å; L147-L149 PolarHBondContact O-N 3.2Å; L147-A150 PolarHBondContact O-N 3.04Å; L147-L151 PolarHBondContact O-N 3.4Å
148N94.7Very high93.8Very high91 Ų9162.7 Ų62.749%0.48731%0.309SS..Hα-helixtrans-62.6-40.9175.3-76.7-49.5000112.7Q144 R146 K152Q144-N148 WeakPolarHBondContact O-CB 3.46Å; Q144-N148 PolarHBondContact O-N 3.28Å; Q144-N148 PolarHBondContact O-ND2 3.13Å; R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 2.66Å; N148-K152 WeakPolarHBondContact O-CG 3.39Å; N148-K152 PolarHBondContact O-N 3.49Å
149L92.4Very high94.4Very high46 Ų4664.6 Ų64.624%0.24133%0.331CS..Hα-helixtrans-64.6-47.8173.417766000110.8F74 K145 R146 L147 L151 K152 D153F74-L149 HydrophobicContact CD1-CD2 4.36Å; F74-L149 HydrophobicContact CD2-CB 4.33Å; F74-L149 HydrophobicContact CD2-CD1 4.47Å; F74-L149 HydrophobicContact CD2-CD2 3.23Å; F74-L149 HydrophobicContact CD2-CG 4.18Å; F74-L149 HydrophobicContact CE1-CD2 4.45Å; F74-L149 HydrophobicContact CE2-CB 3.71Å; F74-L149 HydrophobicContact CE2-CD2 3.32Å; F74-L149 HydrophobicContact CE2-CG 4.02Å; F74-L149 HydrophobicContact CG-CD2 3.78Å; F74-L149 HydrophobicContact CZ-CB 4.41Å; F74-L149 HydrophobicContact CZ-CD2 3.96Å; K145-L149 PolarHBondContact O-N 2.8Å; R146-L149 PolarHBondContact O-N 2.66Å; L147-L149 PolarHBondContact O-N 3.2Å; L149-L151 VanDerWaalsContact C-N 3.26Å; L149-L151 PolarHBondContact O-N 3.31Å; L149-K152 CarbonylContact O-C 3.58Å; L149-K152 WeakPolarHBondContact O-CA 3.38Å; L149-K152 WeakPolarHBondContact O-CB 3.48Å; L149-K152 PolarHBondContact O-N 2.91Å; L149-D153 PolarHBondContact O-N 3.45Å
150A93.7Very high94.6Very high2 Ų262.5 Ų62.52%0.01732%0.315CS..Hα-helixtrans-57.5-41.1-17900000112.1P10 L128 R146 L147 D153 L154P10-A150 HydrophobicContact CB-CB 3.49Å; P10-A150 VanDerWaalsContact CB-CB 3.49Å; P10-A150 HydrophobicContact CG-CB 4.34Å; L128-A150 HydrophobicContact CD2-CB 3.36Å; R146-A150 WeakPolarHBondContact O-CB 3.49Å; R146-A150 PolarHBondContact O-N 3.16Å; L147-A150 PolarHBondContact O-N 3.04Å; A150-D153 PolarHBondContact O-N 3.1Å; A150-L154 WeakPolarHBondContact O-CB 3.36Å; A150-L154 WeakPolarHBondContact O-CG 3.34Å; A150-L154 PolarHBondContact O-N 3.08Å
151L95.1Very high94.7Very high62 Ų6262.4 Ų62.433%0.32532%0.324SS..Hα-helixtrans-62-42.4174.2-179.759000112.2L125 L147 L149 K155L125-L151 HydrophobicContact CD1-CD1 3.92Å; L147-L151 PolarHBondContact O-N 3.4Å; L149-L151 VanDerWaalsContact C-N 3.26Å; L149-L151 PolarHBondContact O-N 3.31Å; L151-K155 HydrophobicContact CD1-CD 4.34Å; L151-K155 HydrophobicContact CD1-CG 4.44Å; L151-K155 HydrophobicContact CG-CD 4.38Å; L151-K155 WeakPolarHBondContact O-CB 3.27Å; L151-K155 VanDerWaalsContact O-CG 3.31Å; L151-K155 WeakPolarHBondContact O-CG 3.32Å; L151-K155 PolarHBondContact O-N 3.32Å; L151-K155 VanDerWaalsContact O-N 3.07Å
152K94.6Very high94.9Very high146 Ų14664.6 Ų64.664%0.63533%0.328SS*.Hα-helixtrans-64.9-45176.2-71.3174.6-179-177.80111.5N148 L149 K155 A156N148-K152 WeakPolarHBondContact O-CG 3.39Å; N148-K152 PolarHBondContact O-N 3.49Å; L149-K152 CarbonylContact O-C 3.58Å; L149-K152 WeakPolarHBondContact O-CA 3.38Å; L149-K152 WeakPolarHBondContact O-CB 3.48Å; L149-K152 PolarHBondContact O-N 2.91Å; K152-K155 PolarHBondContact O-N 2.82Å; K152-A156 VanDerWaalsContact O-CB 3.3Å; K152-A156 WeakPolarHBondContact O-CB 3.49Å; K152-A156 PolarHBondContact O-N 3.21Å
153D94Very high95.2Very high25 Ų2563.6 Ų63.613%0.13432%0.318CS..Hα-helixtrans-64-42.7179.8-71.7-11.5000111.5I102 L149 A150 A156 A157I102-D153 HydrophobicContact CG2-CB 4.24Å; L149-D153 PolarHBondContact O-N 3.45Å; A150-D153 PolarHBondContact O-N 3.1Å; D153-A156 PolarHBondContact O-N 3.21Å; D153-A157 VanDerWaalsContact O-CB 3.3Å; D153-A157 WeakPolarHBondContact O-CB 3.2Å; D153-A157 PolarHBondContact O-N 3.38Å
154L95.3Very high95.4Very high28 Ų2864 Ų6415%0.14732%0.32CS..Hα-helixtrans-65-43.4177.2-72.5170.5000112P10 K121 P122 L125 A150 A157 E158P10-L154 HydrophobicContact CG-CD1 4.38Å; P10-L154 HydrophobicContact CG-CD2 4.13Å; P10-L154 HydrophobicContact CG-CG 4.17Å; K121-L154 HydrophobicContact CG-CD2 4.18Å; P122-L154 HydrophobicContact CG-CD1 4.38Å; L125-L154 HydrophobicContact CD2-CD1 3.97Å; A150-L154 WeakPolarHBondContact O-CB 3.36Å; A150-L154 WeakPolarHBondContact O-CG 3.34Å; A150-L154 PolarHBondContact O-N 3.08Å; L154-A157 PolarHBondContact O-N 3.5Å; L154-E158 PolarHBondContact O-N 3Å
155K96.4Very high95.5Very high125 Ų12563.7 Ų63.754%0.54332%0.32SS..Hα-helixtrans-63-42174.5-76177.8176.4-178.90111.9L151 K152 A157 E158 A159L151-K155 HydrophobicContact CD1-CD 4.34Å; L151-K155 HydrophobicContact CD1-CG 4.44Å; L151-K155 HydrophobicContact CG-CD 4.38Å; L151-K155 WeakPolarHBondContact O-CB 3.27Å; L151-K155 VanDerWaalsContact O-CG 3.31Å; L151-K155 WeakPolarHBondContact O-CG 3.32Å; L151-K155 PolarHBondContact O-N 3.32Å; L151-K155 VanDerWaalsContact O-N 3.07Å; K152-K155 PolarHBondContact O-N 2.82Å; K155-A157 VanDerWaalsContact C-N 3.35Å; K155-E158 PolarHBondContact O-N 2.82Å; K155-A159 WeakPolarHBondContact O-CB 3.3Å; K155-A159 PolarHBondContact O-N 2.94Å
156A96.2Very high95.7Very high20 Ų2059.7 Ų59.717%0.16530%0.304CS..Hα-helixtrans-66-39.3176.800000111.4I102 K152 D153 E158 A159 E160I102-A156 VanDerWaalsContact CD1-C 3.45Å; I102-A156 HydrophobicContact CD1-CB 3.73Å; K152-A156 VanDerWaalsContact O-CB 3.3Å; K152-A156 WeakPolarHBondContact O-CB 3.49Å; K152-A156 PolarHBondContact O-N 3.21Å; D153-A156 PolarHBondContact O-N 3.21Å; A156-E158 VanDerWaalsContact C-N 3.3Å; A156-E158 PolarHBondContact O-N 3.33Å; A156-A159 PolarHBondContact O-N 3.44Å; A156-E160 VanDerWaalsContact O-CB 3.31Å; A156-E160 WeakPolarHBondContact O-CB 3.35Å; A156-E160 PolarHBondContact O-N 3.09Å
157A96.3Very high96Very high4 Ų461.6 Ų61.63%0.03332%0.319CS..Hα-helixtrans-65.9-33.5176.800000112.6I102 L119 D153 L154 K155 E160 S161 F164I102-A157 VanDerWaalsContact CD1-CA 3.48Å; I102-A157 HydrophobicContact CD1-CB 3.93Å; I102-A157 VanDerWaalsContact CD1-N 3.28Å; L119-A157 HydrophobicContact CD1-CB 4.08Å; L119-A157 HydrophobicContact CD2-CB 3.73Å; D153-A157 VanDerWaalsContact O-CB 3.3Å; D153-A157 WeakPolarHBondContact O-CB 3.2Å; D153-A157 PolarHBondContact O-N 3.38Å; L154-A157 PolarHBondContact O-N 3.5Å; K155-A157 VanDerWaalsContact C-N 3.35Å; A157-E160 CarbonylContact O-C 3.55Å; A157-S161 WeakPolarHBondContact O-CA 3.34Å; A157-S161 PolarHBondContact O-N 2.96Å; A157-S161 VanDerWaalsContact O-N 3.16Å; A157-F164 HydrophobicContact CB-CE2 3.77Å; A157-F164 HydrophobicContact CB-CZ 4.28Å
158E96.3Very high96.2Very high151 Ų15160.8 Ų60.871%0.70631%0.314SS*.Hα-helixtrans-68.4-47.9172.6-177.1172.9-155.900111.7L154 K155 A156 E160L154-E158 PolarHBondContact O-N 3Å; K155-E158 PolarHBondContact O-N 2.82Å; A156-E158 VanDerWaalsContact C-N 3.3Å; A156-E158 PolarHBondContact O-N 3.33Å; E158-E160 VanDerWaalsContact C-N 3.31Å; E158-E160 PolarHBondContact O-N 2.81Å
159A97.8Very high96.4Very high79 Ų7960.7 Ų60.765%0.65331%0.313SS*.Hα-helixtrans-66.8-31178.500000113.3K155 A156K155-A159 WeakPolarHBondContact O-CB 3.3Å; K155-A159 PolarHBondContact O-N 2.94Å; A156-A159 PolarHBondContact O-N 3.44Å
160E97.4Very high96.6Very high40 Ų4058.5 Ų58.519%0.18730%0.302CS..THydrogen-bonded Turntrans-11238.9-179.2-61.3172.1-120.600111.5R106 A156 A157 E158 Y162 L163R106-E160 IonicContact CZ-OE1 3.42Å; R106-E160 IonicContact CZ-OE2 2.67Å; R106-E160 IonicContact NE-OE1 3.22Å; R106-E160 PolarHBondContact NE-OE1 2.94Å; R106-E160 IonicContact NE-OE2 2.92Å; R106-E160 PolarHBondContact NE-OE2 3.48Å; R106-E160 IonicContact NH2-OE1 3.62Å; R106-E160 PolarHBondContact NH2-OE1 2.91Å; R106-E160 IonicContact NH2-OE2 3.49Å; A156-E160 VanDerWaalsContact O-CB 3.31Å; A156-E160 WeakPolarHBondContact O-CB 3.35Å; A156-E160 PolarHBondContact O-N 3.09Å; A157-E160 CarbonylContact O-C 3.55Å; E158-E160 VanDerWaalsContact C-N 3.31Å; E158-E160 PolarHBondContact O-N 2.81Å; E160-Y162 HydrophobicContact CB-CD1 4.37Å; E160-Y162 HydrophobicContact CB-CE1 3.75Å; E160-Y162 HydrophobicContact CG-CE1 3.99Å; E160-Y162 PolarHBondContact O-N 3.14Å; E160-L163 HydrophobicContact CB-CD1 3.68Å; E160-L163 HydrophobicContact CB-CG 4.04Å; E160-L163 VanDerWaalsContact O-CB 3.3Å; E160-L163 WeakPolarHBondContact O-CB 3.31Å; E160-L163 WeakPolarHBondContact O-CG 3.36Å; E160-L163 PolarHBondContact O-N 2.97Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.28Å
161S97.1Very high96.7Very high78 Ų7862.9 Ų62.955%0.54533%0.325SS..G310 helixtrans-53.6-28.2-178.452.80000114A157 L163 F164A157-S161 WeakPolarHBondContact O-CA 3.34Å; A157-S161 PolarHBondContact O-N 2.96Å; A157-S161 VanDerWaalsContact O-N 3.16Å; S161-L163 PolarHBondContact O-N 3.24Å; S161-L163 VanDerWaalsContact O-N 3.08Å; S161-F164 PolarHBondContact O-N 3.27Å
162Y96.8Very high96.7Very high167 Ų16762.8 Ų62.866%0.65533%0.325SS*.G310 helixtrans-59.5-16173.769.5-91.2000114.4E160 F164E160-Y162 HydrophobicContact CB-CD1 4.37Å; E160-Y162 HydrophobicContact CB-CE1 3.75Å; E160-Y162 HydrophobicContact CG-CE1 3.99Å; E160-Y162 PolarHBondContact O-N 3.14Å; Y162-F164 VanDerWaalsContact C-N 3.27Å
163L97.3Very high96.8Very high8 Ų858.7 Ų58.74%0.04231%0.308CS..G310 helixtrans-73.4-18.8174.8-67.4176.8000112.8I102 V105 R106 R109 C117 E160 S161I102-L163 HydrophobicContact CD1-CD1 4.43Å; I102-L163 HydrophobicContact CG1-CD1 4.2Å; V105-L163 HydrophobicContact CG1-CB 4.12Å; R106-L163 HydrophobicContact CG-CD1 3.7Å; R109-L163 HydrophobicContact CB-CD2 4.41Å; R109-L163 HydrophobicContact CG-CD2 4.09Å; R109-L163 VanDerWaalsContact CZ-O 3.29Å; R109-L163 PolarHBondContact NE-O 2.97Å; R109-L163 PolarHBondContact NH2-O 3.03Å; C117-L163 VanDerWaalsContact CB-O 3.23Å; C117-L163 WeakPolarHBondContact CB-O 3.35Å; E160-L163 HydrophobicContact CB-CD1 3.68Å; E160-L163 HydrophobicContact CB-CG 4.04Å; E160-L163 VanDerWaalsContact O-CB 3.3Å; E160-L163 WeakPolarHBondContact O-CB 3.31Å; E160-L163 WeakPolarHBondContact O-CG 3.36Å; E160-L163 PolarHBondContact O-N 2.97Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.28Å; S161-L163 PolarHBondContact O-N 3.24Å; S161-L163 VanDerWaalsContact O-N 3.08Å
164F98Very high97Very high19 Ų1962.1 Ų62.18%0.08333%0.327CS..  trans-115.7129.3-172.6-57.5-77.7000111I102 V105 C117 L119 A157 S161 Y162I102-F164 HydrophobicContact CD1-CE2 4.3Å; I102-F164 HydrophobicContact CD1-CZ 4.39Å; I102-F164 HydrophobicContact CG1-CZ 4.19Å; V105-F164 HydrophobicContact CG1-CE1 4.14Å; V105-F164 HydrophobicContact CG1-CZ 4.43Å; V105-F164 HydrophobicContact CG2-CE1 4Å; V105-F164 HydrophobicContact CG2-CZ 4.29Å; C117-F164 HydrophobicContact CB-CD1 4.26Å; C117-F164 CarbonylContact O-C 3.57Å; L119-F164 HydrophobicContact CB-CB 4.36Å; L119-F164 HydrophobicContact CB-CD1 3.61Å; L119-F164 HydrophobicContact CB-CD2 4.32Å; L119-F164 HydrophobicContact CB-CE1 3.91Å; L119-F164 HydrophobicContact CB-CG 3.83Å; L119-F164 HydrophobicContact CB-CZ 4.4Å; L119-F164 HydrophobicContact CD1-CE1 4.03Å; L119-F164 HydrophobicContact CD1-CE2 4.41Å; L119-F164 HydrophobicContact CD1-CZ 3.93Å; L119-F164 HydrophobicContact CD2-CD2 4.44Å; L119-F164 HydrophobicContact CD2-CE2 4.47Å; A157-F164 HydrophobicContact CB-CE2 3.77Å; A157-F164 HydrophobicContact CB-CZ 4.28Å; S161-F164 PolarHBondContact O-N 3.27Å; Y162-F164 VanDerWaalsContact C-N 3.27Å
165D97.2Very high97.1Very high64 Ų6467 Ų6734%0.34235%0.347SS..SBendtrans-78.3-32.5174.7-52.2-54.4000110.4R109 I116 C117R109-D165 IonicContact CZ-OD1 2.66Å; R109-D165 IonicContact CZ-OD2 3.63Å; R109-D165 IonicContact NH1-OD1 3.47Å; R109-D165 IonicContact NH1-OD2 3.02Å; R109-D165 PolarHBondContact NH1-OD2 3.4Å; R109-D165 IonicContact NH2-OD1 2.66Å; R109-D165 PolarHBondContact NH2-OD1 2.89Å; R109-D165 IonicContact NH2-OD2 3.29Å; R109-D165 PolarHBondContact NH2-OD2 3.27Å; I116-D165 VanDerWaalsContact CA-OD2 3.3Å; I116-D165 WeakPolarHBondContact CA-OD2 3.39Å; I116-D165 HydrophobicContact CG2-CB 4.29Å; C117-D165 PolarHBondContact N-OD2 2.8Å; C117-D165 PolarHBondContact O-N 2.94Å
166H97.6Very high97.2Very high47 Ų4761 Ų6122%0.21832%0.321CS..EExtended strand (participates in β ladder)trans-141.4157179.1-52.7-68.5000112.5C117 I118 L119 L183C117-H166 PolarHBondContact O-N 2.98Å; I118-H166 WeakPolarHBondContact CA-O 3.32Å; I118-H166 HydrophobicContact CG1-CB 4.35Å; I118-H166 HydrophobicContact CG2-CB 4.41Å; L119-H166 PolarHBondContact N-O 2.82Å; H166-L183 HydrophobicContact CB-CD1 3.63Å; H166-L183 HydrophobicContact CB-CD2 4.46Å
167V97.8Very high97.3Very high73 Ų7360.6 Ų60.644%0.44232%0.315SS..EExtended strand (participates in β ladder)trans-131.3125.2175.5-177.40000108.8L119 K121L119-V167 HydrophobicContact CB-CG1 4.39Å; L119-V167 HydrophobicContact CB-CG2 4.21Å; L119-V167 HydrophobicContact CD2-CG1 4.2Å; L119-V167 HydrophobicContact CD2-CG2 4.32Å; L119-V167 HydrophobicContact CG-CG1 4.49Å; L119-V167 CarbonylContact O-C 3.49Å; L119-V167 WeakPolarHBondContact O-CA 3.4Å; K121-V167 HydrophobicContact CD-CG1 3.59Å; K121-V167 HydrophobicContact CG-CG1 4.06Å
168I98.4Very high97.3Very high1 Ų166.6 Ų66.61%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-112.4133.8175.6-57.6178.2000108.2I118 L119 L120 K121 A176 E179 L180 L183I118-I168 HydrophobicContact CG2-CD1 3.78Å; I118-I168 HydrophobicContact CG2-CG1 3.91Å; L119-I168 PolarHBondContact O-N 3.37Å; L120-I168 CarbonylContact C-O 3.52Å; L120-I168 WeakPolarHBondContact CA-O 3.46Å; L120-I168 HydrophobicContact CD1-CB 3.8Å; L120-I168 HydrophobicContact CD1-CG2 3.64Å; K121-I168 PolarHBondContact N-O 2.87Å; I168-A176 HydrophobicContact CG2-CB 3.77Å; I168-E179 HydrophobicContact CD1-CB 4.42Å; I168-E179 HydrophobicContact CD1-CG 4.21Å; I168-E179 HydrophobicContact CG1-CG 4.04Å; I168-L180 HydrophobicContact CD1-CB 3.87Å; I168-L180 HydrophobicContact CD1-CD1 4.24Å; I168-L183 HydrophobicContact CD1-CD1 4.03Å; I168-L183 HydrophobicContact CG1-CD1 4.2Å
169I98Very high97.4Very high89 Ų8963.3 Ų63.346%0.45633%0.327SS..EExtended strand (participates in β ladder)trans-98.2123.1171-57.8175.4000108.1P123 D171P123-I169 HydrophobicContact CB-CG2 4.31Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 HydrophobicContact CG2-CB 4.35Å; I169-D171 PolarHBondContact O-N 2.92Å
170N97.3Very high97.4Very high0 Ų059.7 Ų59.70%030%0.296CS..  trans-91.359.5179.2-169.610.3000112.1C13 L120 K121 P123 R131 A176C13-N170 WeakPolarHBondContact O-CB 3.3Å; C13-N170 PolarHBondContact O-ND2 2.88Å; L120-N170 HydrophobicContact CD1-CB 3.94Å; L120-N170 HydrophobicContact CG-CB 4.21Å; K121-N170 PolarHBondContact O-N 2.65Å; P123-N170 WeakPolarHBondContact CD-O 3.41Å; R131-N170 PolarHBondContact NH2-O 3.34Å; N170-A176 HydrophobicContact CB-CB 4.24Å
171D95.4Very high97.3Very high95 Ų9558.7 Ų58.751%0.50829%0.294SS..SBendtrans-72.9-39.117168.3-32.5000111.4P123 I169P123-D171 HydrophobicContact CB-CB 3.94Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 HydrophobicContact CG2-CB 4.35Å; I169-D171 PolarHBondContact O-N 2.92Å
172D96.5Very high97.3Very high60 Ų6058.4 Ų58.432%0.32129%0.289SS..SBendtrans-131.3128.2176.6179.5-76.7000110D174 K175 A176D172-D174 VanDerWaalsContact C-N 3.34Å; D172-D174 PolarHBondContact O-N 3.06Å; D172-D174 WeakPolarHBondContact OD1-CA 3.35Å; D172-D174 WeakPolarHBondContact OD1-CB 3.29Å; D172-D174 PolarHBondContact OD1-N 3.5Å; D172-K175 HydrophobicContact CB-CB 4.14Å; D172-K175 HydrophobicContact CB-CD 3.96Å; D172-K175 HydrophobicContact CB-CG 4.05Å; D172-K175 PolarHBondContact O-N 3.05Å; D172-K175 PolarHBondContact OD1-N 3.19Å; D172-A176 WeakPolarHBondContact O-CB 3.45Å; D172-A176 PolarHBondContact O-N 3.4Å
173M95.6Very high97.2Very high59 Ų5951.7 Ų51.729%0.29126%0.264SS..Hα-helixtrans-66.4-34.9-173.5-174.462.765.400112.6T17 I18 Y177T17-M173 HydrophobicContact CG2-CE 3.64Å; T17-M173 HydrophobicContact CG2-CG 4.4Å; T17-M173 HydrophobicContact CG2-SD 3.91Å; I18-M173 HydrophobicContact CB-SD 4.25Å; M173-Y177 WeakPolarHBondContact O-CB 3.24Å; M173-Y177 PolarHBondContact O-N 3.27Å
174D97.7Very high97Very high98 Ų9851.6 Ų51.652%0.52426%0.264SS..Hα-helixtrans-72.4-42.4-179.8-73.7-44.7000110.9R21 D172 Y177 H178R21-D174 IonicContact CZ-OD1 3.22Å; R21-D174 IonicContact NH1-OD1 3.29Å; R21-D174 PolarHBondContact NH1-OD1 3.39Å; R21-D174 IonicContact NH2-OD1 3.09Å; R21-D174 PolarHBondContact NH2-OD1 2.92Å; D172-D174 VanDerWaalsContact C-N 3.34Å; D172-D174 PolarHBondContact O-N 3.06Å; D172-D174 WeakPolarHBondContact OD1-CA 3.35Å; D172-D174 WeakPolarHBondContact OD1-CB 3.29Å; D172-D174 PolarHBondContact OD1-N 3.5Å; D174-Y177 PolarHBondContact O-N 3.41Å; D174-H178 WeakPolarHBondContact O-CB 3.5Å; D174-H178 PolarHBondContact O-N 3.04Å
175K97.9Very high96.5Very high130 Ų13054.9 Ų54.957%0.56529%0.289SS*.Hα-helixtrans-63.9-49.9176.2-66-177.8-167.2167.10111.8D172 Y177 H178 E179D172-K175 HydrophobicContact CB-CB 4.14Å; D172-K175 HydrophobicContact CB-CD 3.96Å; D172-K175 HydrophobicContact CB-CG 4.05Å; D172-K175 PolarHBondContact O-N 3.05Å; D172-K175 PolarHBondContact OD1-N 3.19Å; K175-Y177 VanDerWaalsContact C-N 3.27Å; K175-Y177 PolarHBondContact O-N 2.96Å; K175-H178 PolarHBondContact O-N 3.36Å; K175-E179 WeakPolarHBondContact O-CB 3.06Å; K175-E179 PolarHBondContact O-N 3.07Å
176A98.1Very high95.6Very high0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-60.7-38.817900000111.6I18 I168 N170 D172 L180I18-A176 HydrophobicContact CD1-CB 4.21Å; I168-A176 HydrophobicContact CG2-CB 3.77Å; N170-A176 HydrophobicContact CB-CB 4.24Å; D172-A176 WeakPolarHBondContact O-CB 3.45Å; D172-A176 PolarHBondContact O-N 3.4Å; A176-L180 WeakPolarHBondContact O-CB 3.46Å; A176-L180 PolarHBondContact O-N 3.34Å
177Y98.2Very high93.6Very high10 Ų1061.9 Ų61.94%0.03932%0.321CS..Hα-helixtrans-63.7-46.4174.4179.7-106.8000112.8I18 R21 L22 E25 Y26 M173 D174 K175 E179 L180 C181I18-Y177 HydrophobicContact CG1-CD2 3.78Å; I18-Y177 HydrophobicContact CG1-CG 4.46Å; R21-Y177 HydrophobicContact CB-CD2 4.31Å; R21-Y177 HydrophobicContact CB-CE2 4.04Å; R21-Y177 HydrophobicContact CG-CD2 4.13Å; R21-Y177 HydrophobicContact CG-CE1 4.18Å; R21-Y177 HydrophobicContact CG-CE2 3.75Å; R21-Y177 VanDerWaalsContact NE-CD1 3.28Å; R21-Y177 VanDerWaalsContact NE-CE1 3.28Å; L22-Y177 HydrophobicContact CB-CE2 4.02Å; L22-Y177 HydrophobicContact CD1-CE2 4.28Å; E25-Y177 WeakPolarHBondContact OE1-CE1 3.43Å; E25-Y177 PolarHBondContact OE1-OH 3.1Å; E25-Y177 PolarHBondContact OE2-OH 3.18Å; E25-Y177 VanDerWaalsContact OE2-OH 3.05Å; Y26-Y177 WeakPolarHBondContact CE2-OH 3.38Å; M173-Y177 WeakPolarHBondContact O-CB 3.24Å; M173-Y177 PolarHBondContact O-N 3.27Å; D174-Y177 PolarHBondContact O-N 3.41Å; K175-Y177 VanDerWaalsContact C-N 3.27Å; K175-Y177 PolarHBondContact O-N 2.96Å; Y177-E179 VanDerWaalsContact C-N 3.33Å; Y177-E179 PolarHBondContact O-N 3.28Å; Y177-L180 PolarHBondContact O-N 3.34Å; Y177-C181 PolarHBondContact O-N 3.22Å; Y177-C181 PolarHBondContact O-SG 2.83Å
178H97.7Very high91.4Very high130 Ų13065.9 Ų65.960%0.60234%0.335SS*.Hα-helixtrans-64.4-39.6178.8-172.570.4000112.1D174 K175 C181 T182D174-H178 WeakPolarHBondContact O-CB 3.5Å; D174-H178 PolarHBondContact O-N 3.04Å; K175-H178 PolarHBondContact O-N 3.36Å; H178-C181 PolarHBondContact O-N 3.3Å; H178-T182 PolarHBondContact O-N 3.07Å; H178-T182 PolarHBondContact O-OG1 2.72Å
179E97.8Very high91Very high82 Ų8269.1 Ų69.138%0.38335%0.351SS..Hα-helixtrans-62.2-47.3174.1-172.3175.6174.800111.1I168 K175 Y177 C181 T182 L183I168-E179 HydrophobicContact CD1-CB 4.42Å; I168-E179 HydrophobicContact CD1-CG 4.21Å; I168-E179 HydrophobicContact CG1-CG 4.04Å; K175-E179 WeakPolarHBondContact O-CB 3.06Å; K175-E179 PolarHBondContact O-N 3.07Å; Y177-E179 VanDerWaalsContact C-N 3.33Å; Y177-E179 PolarHBondContact O-N 3.28Å; E179-C181 VanDerWaalsContact C-N 3.35Å; E179-C181 PolarHBondContact O-N 3.43Å; E179-T182 WeakPolarHBondContact O-CB 3.44Å; E179-T182 PolarHBondContact O-N 3.4Å; E179-L183 WeakPolarHBondContact O-CG 3.48Å; E179-L183 PolarHBondContact O-N 2.8Å
180L97.4Very high90.7Very high3 Ų368.1 Ų68.12%0.01635%0.346CS..Hα-helixtrans-56.9-48.1174.8179.764.5000111.1L7 I18 I118 I168 A176 Y177 T182 L183 L184L7-L180 HydrophobicContact CD1-CD1 4.38Å; I18-L180 HydrophobicContact CD1-CB 4.06Å; I18-L180 HydrophobicContact CD1-CD2 3.8Å; I18-L180 HydrophobicContact CG1-CD2 3.85Å; I18-L180 HydrophobicContact CG2-CD2 4.35Å; I118-L180 HydrophobicContact CD1-CD1 3.73Å; I168-L180 HydrophobicContact CD1-CB 3.87Å; I168-L180 HydrophobicContact CD1-CD1 4.24Å; A176-L180 WeakPolarHBondContact O-CB 3.46Å; A176-L180 PolarHBondContact O-N 3.34Å; Y177-L180 PolarHBondContact O-N 3.34Å; L180-T182 VanDerWaalsContact C-N 3.29Å; L180-T182 PolarHBondContact O-N 2.99Å; L180-L183 PolarHBondContact O-N 3.03Å; L180-L184 HydrophobicContact CD1-CD1 4.19Å; L180-L184 HydrophobicContact CD1-CD2 4.49Å; L180-L184 HydrophobicContact CD1-CG 4.1Å; L180-L184 HydrophobicContact CD2-CD1 4.45Å; L180-L184 HydrophobicContact CG-CD1 3.91Å; L180-L184 HydrophobicContact CG-CG 4.21Å; L180-L184 WeakPolarHBondContact O-CB 3.4Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.31Å; L180-L184 PolarHBondContact O-N 2.67Å
181C96.2Very high90.3Very high19 Ų1971.8 Ų71.813%0.12837%0.365CS..Hα-helixtrans-59.9-40178.7-67.80000112.2Y177 H178 E179 L184 S185Y177-C181 PolarHBondContact O-N 3.22Å; Y177-C181 PolarHBondContact O-SG 2.83Å; H178-C181 PolarHBondContact O-N 3.3Å; E179-C181 VanDerWaalsContact C-N 3.35Å; E179-C181 PolarHBondContact O-N 3.43Å; C181-L184 PolarHBondContact O-N 2.95Å; C181-S185 WeakPolarHBondContact O-CB 3.37Å; C181-S185 PolarHBondContact O-N 3.32Å; C181-S185 PolarHBondContact O-OG 2.81Å
182T95.8Very high90Very high72 Ų7270.5 Ų70.544%0.44236%0.357SS..Hα-helixtrans-59.9-49.4176.4-59.40000110.8H178 E179 L180 L184 S185 S186H178-T182 PolarHBondContact O-N 3.07Å; H178-T182 PolarHBondContact O-OG1 2.72Å; E179-T182 WeakPolarHBondContact O-CB 3.44Å; E179-T182 PolarHBondContact O-N 3.4Å; L180-T182 VanDerWaalsContact C-N 3.29Å; L180-T182 PolarHBondContact O-N 2.99Å; T182-L184 VanDerWaalsContact C-N 3.32Å; T182-L184 PolarHBondContact O-N 2.84Å; T182-S185 PolarHBondContact O-N 3.22Å; T182-S185 PolarHBondContact O-OG 2.77Å; T182-S186 PolarHBondContact O-N 3.49Å; T182-S186 VanDerWaalsContact O-N 3.09Å
183L95.1Very high89.6Confident27 Ų2771.1 Ų71.114%0.14136%0.359CS..Hα-helixtrans-65.3-31.6177-63.4176.4000113.3I118 H166 I168 E179 L180 S186I118-L183 HydrophobicContact CD1-CB 4.22Å; I118-L183 HydrophobicContact CD1-CD1 4.1Å; I118-L183 HydrophobicContact CG2-CD1 4.49Å; H166-L183 HydrophobicContact CB-CD1 3.63Å; H166-L183 HydrophobicContact CB-CD2 4.46Å; I168-L183 HydrophobicContact CD1-CD1 4.03Å; I168-L183 HydrophobicContact CG1-CD1 4.2Å; E179-L183 WeakPolarHBondContact O-CG 3.48Å; E179-L183 PolarHBondContact O-N 2.8Å; L180-L183 PolarHBondContact O-N 3.03Å; L183-S186 PolarHBondContact O-OG 2.9Å
184L93.3Very high89.2Confident6 Ų671.9 Ų71.93%0.03136%0.363CS..Hα-helixtrans-75.9-26.2176.7-69.6-178.9000113V5 L22 Y30 R95 L180 C181 T182V5-L184 HydrophobicContact CB-CD2 4.12Å; V5-L184 HydrophobicContact CG1-CD2 3.9Å; V5-L184 HydrophobicContact CG2-CD2 3.58Å; L22-L184 HydrophobicContact CD1-CD1 3.84Å; L22-L184 HydrophobicContact CD2-CD1 3.58Å; L22-L184 HydrophobicContact CG-CD1 4.39Å; Y30-L184 HydrophobicContact CD1-CD1 4.4Å; Y30-L184 HydrophobicContact CE1-CB 4.09Å; Y30-L184 HydrophobicContact CE1-CD1 3.95Å; Y30-L184 HydrophobicContact CE1-CD2 4.41Å; Y30-L184 HydrophobicContact CE1-CG 4.39Å; R95-L184 PolarHBondContact NH1-O 3.47Å; L180-L184 HydrophobicContact CD1-CD1 4.19Å; L180-L184 HydrophobicContact CD1-CD2 4.49Å; L180-L184 HydrophobicContact CD1-CG 4.1Å; L180-L184 HydrophobicContact CD2-CD1 4.45Å; L180-L184 HydrophobicContact CG-CD1 3.91Å; L180-L184 HydrophobicContact CG-CG 4.21Å; L180-L184 WeakPolarHBondContact O-CB 3.4Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.31Å; L180-L184 PolarHBondContact O-N 2.67Å; C181-L184 PolarHBondContact O-N 2.95Å; T182-L184 VanDerWaalsContact C-N 3.32Å; T182-L184 PolarHBondContact O-N 2.84Å
185S87.5Confident88.6Confident87 Ų8770.1 Ų70.161%0.60835%0.352SS*.Hα-helixtrans-89.4-17.8179.773.70000113.6C181 T182 K187C181-S185 WeakPolarHBondContact O-CB 3.37Å; C181-S185 PolarHBondContact O-N 3.32Å; C181-S185 PolarHBondContact O-OG 2.81Å; T182-S185 PolarHBondContact O-N 3.22Å; T182-S185 PolarHBondContact O-OG 2.77Å; S185-K187 PolarHBondContact O-N 2.65Å
186S77.9Confident87.9Confident44 Ų4465.5 Ų65.531%0.30834%0.336SS..SBendtrans-63.2130176.463.10000109.8T182 L183 E188T182-S186 PolarHBondContact O-N 3.49Å; T182-S186 VanDerWaalsContact O-N 3.09Å; L183-S186 PolarHBondContact O-OG 2.9Å; S186-E188 PolarHBondContact O-N 3Å; S186-E188 VanDerWaalsContact O-N 3.09Å
187K55.8Low87Confident214 Ų21470.9 Ų70.993%0.9336%0.364SS*.  trans-7890172.7-69.6-177179.9178.80108S185S185-K187 PolarHBondContact O-N 2.65Å
188E51.5Low86Confident157 Ų15776.5 Ų76.573%0.73439%0.393SS*.  trans-105.20160.9-68.3-168.9177.600111.6R3 S186R3-E188 IonicContact NH1-OE2 2.77Å; S186-E188 PolarHBondContact O-N 3Å; S186-E188 VanDerWaalsContact O-N 3.09Å

Retrieved 188 of 188 residues in 108.5 ms (Link to these results)

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