A0A077ZFJ1_TRITR Loading...

40S ribosomal protein S6

AlphaFold DB , UniProt , Accession A0A077ZFJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M93.8Very high95.4Very high22 Ų2247.2 Ų47.211%0.10829%0.289CS..  0128.40-59.3-173.1-57.700110.9I3 L13 I14 V16 L22 F25 L39 L107 L109M1-I3 HydrophobicContact CB-CG1 4.32Å; M1-I3 HydrophobicContact CE-CD1 4.28Å; M1-L13 WeakPolarHBondContact O-CA 3.43Å; M1-I14 PolarHBondContact N-O 3.14Å; M1-I14 PolarHBondContact O-N 3.18Å; M1-V16 HydrophobicContact CE-CB 4.47Å; M1-V16 HydrophobicContact CE-CG2 3.5Å; M1-V16 VanDerWaalsContact CE-CG2 3.5Å; M1-L22 HydrophobicContact SD-CD2 4.37Å; M1-F25 HydrophobicContact SD-CE2 3.6Å; M1-F25 VanDerWaalsContact SD-CE2 3.6Å; M1-F25 HydrophobicContact SD-CZ 4.05Å; M1-L39 HydrophobicContact CE-CD1 4.26Å; M1-L107 CarbonylContact C-O 3.58Å; M1-L107 WeakPolarHBondContact CA-O 3.48Å; M1-L109 HydrophobicContact CB-CD1 4.22Å; M1-L109 HydrophobicContact CG-CD1 4.34Å; M1-L109 HydrophobicContact SD-CD1 3.81Å
2N96.7Very high95.3Very high60 Ų6049.5 Ų49.532%0.32129%0.292SS..EExtended strand (participates in β ladder)trans-100.7107173.4-178.210.2000109.4L13 V106 L107 S108 L109N2-L13 HydrophobicContact CB-CD1 4.08Å; N2-V106 HydrophobicContact CB-CG1 3.92Å; N2-L107 PolarHBondContact N-O 3.3Å; N2-S108 WeakPolarHBondContact O-CA 3.16Å; N2-L109 PolarHBondContact O-N 2.95Å
3I96.8Very high95.4Very high0 Ų055.1 Ų55.10%032%0.319CS..EExtended strand (participates in β ladder)trans-105.9129.4-173.4-53.8171.3000109.1M1 Q11 K12 I14 W43 F48 L109 I111 L122M1-I3 HydrophobicContact CB-CG1 4.32Å; M1-I3 HydrophobicContact CE-CD1 4.28Å; I3-Q11 CarbonylContact O-C 3.58Å; I3-Q11 WeakPolarHBondContact O-CA 3.46Å; I3-K12 PolarHBondContact N-O 3.36Å; I3-K12 PolarHBondContact O-N 3.05Å; I3-I14 HydrophobicContact CD1-CD1 3.88Å; I3-I14 HydrophobicContact CD1-CG1 4.49Å; I3-W43 HydrophobicContact CD1-CH2 3.45Å; I3-W43 VanDerWaalsContact CD1-CH2 3.45Å; I3-W43 HydrophobicContact CD1-CZ2 3.91Å; I3-W43 HydrophobicContact CD1-CZ3 4.1Å; I3-F48 HydrophobicContact CD1-CE2 4.28Å; I3-F48 HydrophobicContact CD1-CZ 4.01Å; I3-F48 HydrophobicContact CG2-CE1 4.33Å; I3-F48 HydrophobicContact CG2-CZ 4.43Å; I3-L109 WeakPolarHBondContact CA-O 3.21Å; I3-L109 HydrophobicContact CG1-CB 4.25Å; I3-L109 HydrophobicContact CG1-CD1 4.19Å; I3-I111 HydrophobicContact CG2-CD1 4.09Å; I3-I111 HydrophobicContact CG2-CG1 3.95Å; I3-L122 HydrophobicContact CB-CD1 3.93Å; I3-L122 HydrophobicContact CG2-CD1 3.94Å; I3-L122 HydrophobicContact CG2-CD2 4.25Å; I3-L122 WeakPolarHBondContact O-CD1 3.34Å
4A96.9Very high95.3Very high28 Ų2853.5 Ų53.523%0.23131%0.308CS..EExtended strand (participates in β ladder)trans-116.6139.9174.800000111.3Q11 L109 V110 I111A4-Q11 HydrophobicContact CB-CB 4.32Å; A4-L109 PolarHBondContact N-O 2.92Å; A4-V110 HydrophobicContact CB-CG2 4.4Å; A4-V110 WeakPolarHBondContact O-CA 3.44Å; A4-I111 PolarHBondContact O-N 3.47Å
5Y96.3Very high95.2Very high42 Ų4260.9 Ų60.917%0.16534%0.339CS..EExtended strand (participates in β ladder)trans-114102.9168.8-173.9-147.5000110.6A7 T8 A9 C10 I111 T123Y5-A7 HydrophobicContact CD1-CB 4.42Å; Y5-A7 HydrophobicContact CD2-CB 4.22Å; Y5-A7 HydrophobicContact CE1-CB 3.88Å; Y5-A7 HydrophobicContact CE2-CB 3.65Å; Y5-A7 VanDerWaalsContact CZ-CB 3.46Å; Y5-A7 PolarHBondContact O-N 2.83Å; Y5-T8 HydrophobicContact CD1-CG2 3.49Å; Y5-T8 VanDerWaalsContact CD1-CG2 3.49Å; Y5-T8 VanDerWaalsContact CD1-OG1 3.23Å; Y5-T8 WeakPolarHBondContact CD1-OG1 3.37Å; Y5-T8 HydrophobicContact CE1-CG2 3.61Å; Y5-T8 PolarHBondContact O-N 2.69Å; Y5-T8 PolarHBondContact O-OG1 3.14Å; Y5-A9 PolarHBondContact O-N 3.03Å; Y5-C10 PolarHBondContact N-O 3.37Å; Y5-I111 HydrophobicContact CD2-CB 3.79Å; Y5-I111 HydrophobicContact CD2-CG2 3.8Å; Y5-I111 HydrophobicContact CE2-CB 4.48Å; Y5-I111 HydrophobicContact CE2-CG2 4.01Å; Y5-I111 HydrophobicContact CG-CB 4.44Å; Y5-I111 HydrophobicContact CG-CD1 4.48Å; Y5-T123 HydrophobicContact CD1-CG2 3.84Å; Y5-T123 HydrophobicContact CE1-CG2 4.01Å
6P95.8Very high95Very high81 Ų8159.3 Ų59.353%0.52633%0.331SS..THydrogen-bonded Turntrans-63.2-25-173.4-26.235.3000115V110P6-V110 HydrophobicContact CG-CG1 3.65Å
7A94.2Very high94.7Very high77 Ų7763.9 Ų63.964%0.63635%0.354SS*.THydrogen-bonded Turntrans-69-39.5-179.200000111.9Y5Y5-A7 HydrophobicContact CD1-CB 4.42Å; Y5-A7 HydrophobicContact CD2-CB 4.22Å; Y5-A7 HydrophobicContact CE1-CB 3.88Å; Y5-A7 HydrophobicContact CE2-CB 3.65Å; Y5-A7 VanDerWaalsContact CZ-CB 3.46Å; Y5-A7 PolarHBondContact O-N 2.83Å
8T94.1Very high94.5Very high7 Ų764.6 Ų64.64%0.04336%0.357CS..THydrogen-bonded Turntrans-91.9-14.6176.457.60000113.2Y5 C10 L122 K125 T126 I127Y5-T8 HydrophobicContact CD1-CG2 3.49Å; Y5-T8 VanDerWaalsContact CD1-CG2 3.49Å; Y5-T8 VanDerWaalsContact CD1-OG1 3.23Å; Y5-T8 WeakPolarHBondContact CD1-OG1 3.37Å; Y5-T8 HydrophobicContact CE1-CG2 3.61Å; Y5-T8 PolarHBondContact O-N 2.69Å; Y5-T8 PolarHBondContact O-OG1 3.14Å; T8-C10 PolarHBondContact O-N 3.16Å; T8-C10 PolarHBondContact OG1-N 2.9Å; T8-L122 PolarHBondContact OG1-O 3.3Å; T8-K125 WeakPolarHBondContact CB-O 3.49Å; T8-K125 WeakPolarHBondContact CG2-O 3.23Å; T8-T126 HydrophobicContact CG2-CG2 3.82Å; T8-I127 PolarHBondContact O-N 3.16Å
9A93.1Very high94.2Very high51 Ų5164.7 Ų64.742%0.42136%0.355SS..THydrogen-bonded Turntrans60.121-171.100000114.2Y5 I127Y5-A9 PolarHBondContact O-N 3.03Å; A9-I127 HydrophobicContact CB-CB 4.4Å
10C95.2Very high94Very high9 Ų969.5 Ų69.56%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-92.5152.7174.3-65.60000111Y5 T8 L122 K125Y5-C10 PolarHBondContact N-O 3.37Å; T8-C10 PolarHBondContact O-N 3.16Å; T8-C10 PolarHBondContact OG1-N 2.9Å; C10-L122 WeakPolarHBondContact CB-O 3.38Å; C10-K125 PolarHBondContact SG-O 2.92Å
11Q96Very high93.9Very high142 Ų14269.9 Ų69.966%0.66437%0.371SS*.EExtended strand (participates in β ladder)trans-136.9151.417171.2-115.5-22.100110.4I3 A4I3-Q11 CarbonylContact O-C 3.58Å; I3-Q11 WeakPolarHBondContact O-CA 3.46Å; A4-Q11 HydrophobicContact CB-CB 4.32Å
12K94.9Very high93.9Very high75 Ų7570.7 Ų70.733%0.32638%0.375SS..EExtended strand (participates in β ladder)trans-141134.6176.1-166.1176.5-179.4-1800109.3I3 I14 P120 L122I3-K12 PolarHBondContact N-O 3.36Å; I3-K12 PolarHBondContact O-N 3.05Å; K12-I14 HydrophobicContact CD-CD1 4.29Å; K12-I14 HydrophobicContact CD-CG1 4.19Å; K12-I14 HydrophobicContact CG-CG1 4.07Å; K12-P120 PolarHBondContact NZ-O 3.46Å; K12-L122 HydrophobicContact CB-CD1 3.41Å; K12-L122 VanDerWaalsContact CB-CD1 3.41Å; K12-L122 HydrophobicContact CB-CG 4.48Å
13L96Very high93.7Very high122 Ų12275.3 Ų75.364%0.63939%0.388SS*.EExtended strand (participates in β ladder)trans-88.6125.5167.7-174.971.2000107.5M1 N2 V106M1-L13 WeakPolarHBondContact O-CA 3.43Å; N2-L13 HydrophobicContact CB-CD1 4.08Å; L13-V106 HydrophobicContact CD1-CG1 4.43Å
14I94Very high93.6Very high33 Ų3377.1 Ų77.117%0.16940%0.397CS..  trans-123.2129.7177.6-57.1-177.8000107.6M1 I3 K12 V16 W43M1-I14 PolarHBondContact N-O 3.14Å; M1-I14 PolarHBondContact O-N 3.18Å; I3-I14 HydrophobicContact CD1-CD1 3.88Å; I3-I14 HydrophobicContact CD1-CG1 4.49Å; K12-I14 HydrophobicContact CD-CD1 4.29Å; K12-I14 HydrophobicContact CD-CG1 4.19Å; K12-I14 HydrophobicContact CG-CG1 4.07Å; I14-V16 HydrophobicContact CG2-CG2 4.15Å; I14-W43 HydrophobicContact CD1-CH2 3.9Å; I14-W43 HydrophobicContact CD1-CZ2 3.45Å; I14-W43 VanDerWaalsContact CD1-CZ2 3.45Å
15E93.9Very high93.5Very high165 Ų16575.9 Ų75.977%0.77139%0.387SS*.  trans-88.4135173.6-168.8158.7-150.400109.2
16V91.7Very high93.5Very high35 Ų3576.3 Ų76.321%0.21239%0.389CS..  trans-139107.3179.8177.10000106.7M1 I14 K21 L22M1-V16 HydrophobicContact CE-CB 4.47Å; M1-V16 HydrophobicContact CE-CG2 3.5Å; M1-V16 VanDerWaalsContact CE-CG2 3.5Å; I14-V16 HydrophobicContact CG2-CG2 4.15Å; V16-K21 HydrophobicContact CG1-CB 4.03Å; V16-K21 HydrophobicContact CG1-CD 4.27Å; V16-L22 HydrophobicContact CB-CD2 4.18Å; V16-L22 HydrophobicContact CG1-CD2 3.98Å; V16-L22 HydrophobicContact CG1-CG 4.17Å
17D90Very high93.4Very high137 Ų13780.8 Ų80.873%0.73340%0.402SS*.  trans-91.4-23.7-178.7-58.4-38000112.3E19D17-E19 PolarHBondContact O-N 2.84Å; D17-E19 VanDerWaalsContact O-N 3.08Å
18D91.7Very high93.5Very high76 Ų7681.3 Ų81.341%0.40639%0.39SS..  trans-71.2106.8179.2-176.21.7000110.9K20 K21 L22D18-K20 PolarHBondContact O-N 2.92Å; D18-K20 WeakPolarHBondContact OD1-CB 3.38Å; D18-K20 PolarHBondContact OD1-N 3.46Å; D18-K21 HydrophobicContact CB-CD 4.21Å; D18-K21 HydrophobicContact CB-CG 4.23Å; D18-K21 WeakPolarHBondContact O-CB 3.28Å; D18-K21 PolarHBondContact O-N 2.77Å; D18-K21 VanDerWaalsContact O-N 3.14Å; D18-L22 PolarHBondContact O-N 3.03Å
19E88Confident93.6Very high68 Ų6887 Ų8732%0.31841%0.411SS..Hα-helixtrans-61.2-29.4-179.3-159-179178.800112.7D17 K21 L22 R23 Y26 Q102D17-E19 PolarHBondContact O-N 2.84Å; D17-E19 VanDerWaalsContact O-N 3.08Å; E19-K21 PolarHBondContact O-N 3.08Å; E19-L22 PolarHBondContact O-N 3.46Å; E19-R23 WeakPolarHBondContact O-CG 3.33Å; E19-R23 PolarHBondContact O-N 3.14Å; E19-R23 VanDerWaalsContact O-N 3.08Å; E19-Y26 HydrophobicContact CG-CE2 4.32Å; E19-Y26 PolarHBondContact OE1-OH 3.15Å; E19-Q102 PolarHBondContact OE1-NE2 3.47Å; E19-Q102 PolarHBondContact OE1-OE1 2.9Å; E19-Q102 PolarHBondContact OE2-NE2 2.96Å
20K91.3Very high93.8Very high159 Ų15985.1 Ų85.169%0.69139%0.394SS*.Hα-helixtrans-60.6-37.7178.1-66.9178.1-179.91750111.4D18 L22D18-K20 PolarHBondContact O-N 2.92Å; D18-K20 WeakPolarHBondContact OD1-CB 3.38Å; D18-K20 PolarHBondContact OD1-N 3.46Å; K20-L22 VanDerWaalsContact C-N 3.35Å
21K92Very high93.8Very high79 Ų7987.3 Ų87.334%0.34341%0.412SS..Hα-helixtrans-69.1-33.7175.7-65.5-176.3176.5-1600111.9V16 D18 E19 I24 L39V16-K21 HydrophobicContact CG1-CB 4.03Å; V16-K21 HydrophobicContact CG1-CD 4.27Å; D18-K21 HydrophobicContact CB-CD 4.21Å; D18-K21 HydrophobicContact CB-CG 4.23Å; D18-K21 WeakPolarHBondContact O-CB 3.28Å; D18-K21 PolarHBondContact O-N 2.77Å; D18-K21 VanDerWaalsContact O-N 3.14Å; E19-K21 PolarHBondContact O-N 3.08Å; K21-I24 WeakPolarHBondContact O-CG1 3.44Å; K21-L39 HydrophobicContact CB-CD2 3.96Å; K21-L39 VanDerWaalsContact CD-O 3.28Å; K21-L39 WeakPolarHBondContact CD-O 3.41Å; K21-L39 VanDerWaalsContact CE-O 3.24Å; K21-L39 WeakPolarHBondContact CE-O 3.42Å; K21-L39 PolarHBondContact NZ-O 3.28Å; K21-L39 WeakPolarHBondContact O-CD2 3.47Å
22L92.7Very high93.9Very high39 Ų3983.5 Ų83.520%0.20440%0.395CS..Hα-helixtrans-76.7-24.4-178.6-63.5178.1000113.7M1 V16 D18 E19 K20 I24 F25 Y26M1-L22 HydrophobicContact SD-CD2 4.37Å; V16-L22 HydrophobicContact CB-CD2 4.18Å; V16-L22 HydrophobicContact CG1-CD2 3.98Å; V16-L22 HydrophobicContact CG1-CG 4.17Å; D18-L22 PolarHBondContact O-N 3.03Å; E19-L22 PolarHBondContact O-N 3.46Å; K20-L22 VanDerWaalsContact C-N 3.35Å; L22-I24 PolarHBondContact O-N 3.31Å; L22-F25 HydrophobicContact CD2-CD2 4.42Å; L22-F25 WeakPolarHBondContact O-CB 3.3Å; L22-F25 PolarHBondContact O-N 3.08Å; L22-Y26 HydrophobicContact CB-CE1 4.39Å
23R92.9Very high94Very high157 Ų15785.6 Ų85.659%0.59241%0.406SS*.G310 helixtrans-53.9-28.8-178.4-76176.5-173-162.30.1114.3E19 F25 Y26E19-R23 WeakPolarHBondContact O-CG 3.33Å; E19-R23 PolarHBondContact O-N 3.14Å; E19-R23 VanDerWaalsContact O-N 3.08Å; R23-F25 PolarHBondContact O-N 3.23Å; R23-Y26 HydrophobicContact CB-CD2 4.37Å; R23-Y26 HydrophobicContact CG-CD2 4.03Å; R23-Y26 HydrophobicContact CG-CE2 4.08Å; R23-Y26 PolarHBondContact O-N 2.96Å; R23-Y26 VanDerWaalsContact O-N 3.14Å
24I94.8Very high94Very high37 Ų3780.3 Ų80.319%0.1938%0.378CS..G310 helixtrans-60.1-26.6176.869.1-177.7000113.1K21 L22 V34 P38 L39K21-I24 WeakPolarHBondContact O-CG1 3.44Å; L22-I24 PolarHBondContact O-N 3.31Å; I24-V34 HydrophobicContact CB-CG1 4.26Å; I24-V34 HydrophobicContact CD1-CG1 4.4Å; I24-V34 HydrophobicContact CG1-CG1 4.19Å; I24-P38 HydrophobicContact CG2-CB 3.81Å; I24-P38 HydrophobicContact CG2-CG 3.97Å; I24-L39 HydrophobicContact CD1-CD1 4.34Å; I24-L39 HydrophobicContact CD1-CD2 3.73Å; I24-L39 HydrophobicContact CD1-CG 3.71Å
25F95.7Very high94.1Very high2 Ų282.7 Ų82.71%0.00939%0.391CS..G310 helixtrans-90.2-20179.9-58.8-62.5000112.9M1 L22 R23 K28 V34 L39 F48 I50 V100 L107 L109M1-F25 HydrophobicContact SD-CE2 3.6Å; M1-F25 VanDerWaalsContact SD-CE2 3.6Å; M1-F25 HydrophobicContact SD-CZ 4.05Å; L22-F25 HydrophobicContact CD2-CD2 4.42Å; L22-F25 WeakPolarHBondContact O-CB 3.3Å; L22-F25 PolarHBondContact O-N 3.08Å; R23-F25 PolarHBondContact O-N 3.23Å; F25-K28 VanDerWaalsContact O-CB 3.28Å; F25-K28 WeakPolarHBondContact O-CB 3.49Å; F25-K28 WeakPolarHBondContact O-CG 3.33Å; F25-K28 PolarHBondContact O-N 2.95Å; F25-V34 HydrophobicContact CD1-CB 4.32Å; F25-V34 HydrophobicContact CD1-CG1 4.05Å; F25-V34 HydrophobicContact CD1-CG2 4.35Å; F25-V34 HydrophobicContact CE1-CB 4.3Å; F25-V34 HydrophobicContact CE1-CG1 4.12Å; F25-L39 HydrophobicContact CE2-CD1 4.32Å; F25-L39 HydrophobicContact CE2-CD2 3.94Å; F25-L39 HydrophobicContact CZ-CD1 3.99Å; F25-L39 HydrophobicContact CZ-CD2 4.38Å; F25-F48 HydrophobicContact CE1-CD2 4.18Å; F25-F48 HydrophobicContact CZ-CD2 4.01Å; F25-F48 HydrophobicContact CZ-CE2 4.42Å; F25-I50 HydrophobicContact CD1-CD1 4.27Å; F25-I50 HydrophobicContact CD1-CG1 4.36Å; F25-V100 HydrophobicContact CB-CG1 4.09Å; F25-V100 VanDerWaalsContact O-CB 3.27Å; F25-V100 WeakPolarHBondContact O-CB 3.45Å; F25-V100 WeakPolarHBondContact O-CG1 3.47Å; F25-L107 HydrophobicContact CB-CD2 3.92Å; F25-L107 HydrophobicContact CD1-CD2 4Å; F25-L107 HydrophobicContact CD2-CD2 3.99Å; F25-L107 HydrophobicContact CE2-CD2 4.48Å; F25-L107 HydrophobicContact CG-CD2 3.71Å; F25-L109 HydrophobicContact CE1-CD1 4.14Å; F25-L109 HydrophobicContact CE1-CD2 4.07Å; F25-L109 HydrophobicContact CZ-CD1 3.81Å
26Y94.8Very high94.1Very high52 Ų5274.8 Ų74.820%0.20436%0.355CS..THydrogen-bonded Turntrans-64.8148.1-179.1-64.1-17000111.2E19 L22 R23 K28 V100 Q102E19-Y26 HydrophobicContact CG-CE2 4.32Å; E19-Y26 PolarHBondContact OE1-OH 3.15Å; L22-Y26 HydrophobicContact CB-CE1 4.39Å; R23-Y26 HydrophobicContact CB-CD2 4.37Å; R23-Y26 HydrophobicContact CG-CD2 4.03Å; R23-Y26 HydrophobicContact CG-CE2 4.08Å; R23-Y26 PolarHBondContact O-N 2.96Å; R23-Y26 VanDerWaalsContact O-N 3.14Å; Y26-K28 PolarHBondContact O-N 3.27Å; Y26-V100 HydrophobicContact CD1-CG1 4.26Å; Y26-Q102 HydrophobicContact CE1-CB 4.36Å; Y26-Q102 WeakPolarHBondContact OH-CG 3.41Å
27E94.3Very high94.2Very high175 Ų17575 Ų7582%0.81836%0.357SS*.THydrogen-bonded Turntrans61.11.5-175.8-53.1-175.6160.300114.7V100E27-V100 PolarHBondContact N-O 2.92Å; E27-V100 VanDerWaalsContact N-O 3.16Å
28K96.5Very high94.3Very high88 Ų8872 Ų7238%0.38335%0.345SS..  trans-81.5152.1168.9-52.9-58.4177.8-175.30109.7F25 Y26 V34 I50 V100F25-K28 VanDerWaalsContact O-CB 3.28Å; F25-K28 WeakPolarHBondContact O-CB 3.49Å; F25-K28 WeakPolarHBondContact O-CG 3.33Å; F25-K28 PolarHBondContact O-N 2.95Å; Y26-K28 PolarHBondContact O-N 3.27Å; K28-V34 HydrophobicContact CB-CG2 4.38Å; K28-V34 HydrophobicContact CD-CG2 4.49Å; K28-V34 HydrophobicContact CG-CG2 3.93Å; K28-I50 HydrophobicContact CB-CD1 3.59Å; K28-I50 HydrophobicContact CG-CD1 4.44Å; K28-V100 WeakPolarHBondContact O-CG2 3.31Å; K28-V100 PolarHBondContact O-N 3.32Å
29R96.2Very high94.3Very high125 Ų12568.7 Ų68.747%0.47233%0.328SS..BIsolated β-bridgetrans-107159.6175.365.4-179.9-176.2-164.1-0111.6A31 Q32 C98R29-A31 PolarHBondContact O-N 3.11Å; R29-Q32 VanDerWaalsContact CG-CD 3.45Å; R29-Q32 HydrophobicContact CG-CG 3.69Å; R29-Q32 WeakPolarHBondContact O-CB 3.28Å; R29-Q32 PolarHBondContact O-N 3.03Å; R29-Q32 VanDerWaalsContact O-N 3.11Å; R29-C98 CarbonylContact C-O 3.53Å; R29-C98 VanDerWaalsContact CA-O 3.25Å; R29-C98 WeakPolarHBondContact CA-O 3.24Å
30I96.7Very high94.4Very high12 Ų1266.5 Ų66.56%0.06232%0.323CS..THydrogen-bonded Turntrans-49.7141.2169.1-64.4171.8000110.8Q32 I50 M61 Q63 C98I30-Q32 VanDerWaalsContact C-N 3.27Å; I30-Q32 PolarHBondContact O-N 3.5Å; I30-I50 HydrophobicContact CG1-CG2 4.34Å; I30-M61 HydrophobicContact CD1-CB 3.64Å; I30-M61 HydrophobicContact CD1-CE 4.21Å; I30-M61 HydrophobicContact CD1-SD 4.35Å; I30-M61 HydrophobicContact CG1-CE 4.21Å; I30-Q63 HydrophobicContact CG2-CB 4.25Å; I30-Q63 PolarHBondContact O-NE2 2.9Å; I30-C98 HydrophobicContact CB-CB 4.25Å; I30-C98 HydrophobicContact CD1-CB 4Å; I30-C98 HydrophobicContact CG1-CB 4.15Å; I30-C98 PolarHBondContact N-O 3.24Å
31A96.6Very high94.4Very high55 Ų5567.3 Ų67.346%0.45533%0.33SS..THydrogen-bonded Turntrans72.52.8-175.700000116R29 I50R29-A31 PolarHBondContact O-N 3.11Å; A31-I50 WeakPolarHBondContact CA-O 3.39Å; A31-I50 PolarHBondContact N-O 3Å
32Q96.7Very high94.4Very high63 Ų6368.9 Ų68.929%0.29434%0.338SS..  trans-77.9146.6167.5-75.3-179.9-27.700111.9R29 I30 R49 I50R29-Q32 VanDerWaalsContact CG-CD 3.45Å; R29-Q32 HydrophobicContact CG-CG 3.69Å; R29-Q32 WeakPolarHBondContact O-CB 3.28Å; R29-Q32 PolarHBondContact O-N 3.03Å; R29-Q32 VanDerWaalsContact O-N 3.11Å; I30-Q32 VanDerWaalsContact C-N 3.27Å; I30-Q32 PolarHBondContact O-N 3.5Å; Q32-R49 WeakPolarHBondContact O-CA 3.23Å; Q32-I50 PolarHBondContact O-N 2.9Å
33E97.2Very high94.4Very high118 Ų11867.3 Ų67.355%0.55133%0.329SS*.EExtended strand (participates in β ladder)trans-89.9137.9171.2-66.9-179.4-175.200109.6V47 F48 R49E33-V47 HydrophobicContact CB-CG1 3.89Å; E33-V47 HydrophobicContact CG-CG1 4.41Å; E33-F48 CarbonylContact C-O 3.48Å; E33-F48 VanDerWaalsContact CA-O 3.23Å; E33-F48 WeakPolarHBondContact CA-O 3.36Å; E33-R49 HydrophobicContact CG-CB 4.21Å; E33-R49 HydrophobicContact CG-CG 4.32Å
34V96.5Very high94.5Very high11 Ų1165.2 Ų65.27%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-134.9130.9-176.8-176.10000107.3I24 F25 K28 A36 F48 I50I24-V34 HydrophobicContact CB-CG1 4.26Å; I24-V34 HydrophobicContact CD1-CG1 4.4Å; I24-V34 HydrophobicContact CG1-CG1 4.19Å; F25-V34 HydrophobicContact CD1-CB 4.32Å; F25-V34 HydrophobicContact CD1-CG1 4.05Å; F25-V34 HydrophobicContact CD1-CG2 4.35Å; F25-V34 HydrophobicContact CE1-CB 4.3Å; F25-V34 HydrophobicContact CE1-CG1 4.12Å; K28-V34 HydrophobicContact CB-CG2 4.38Å; K28-V34 HydrophobicContact CD-CG2 4.49Å; K28-V34 HydrophobicContact CG-CG2 3.93Å; V34-A36 PolarHBondContact O-N 3.29Å; V34-F48 PolarHBondContact N-O 3.17Å; V34-F48 PolarHBondContact O-N 2.92Å; V34-I50 HydrophobicContact CG2-CD1 3.88Å; V34-I50 HydrophobicContact CG2-CG1 4.43Å
35D96.1Very high94.5Very high83 Ų8364.8 Ų64.844%0.44433%0.33SS..EExtended strand (participates in β ladder)trans-67.1127172179.418.2000109.6S37D35-S37 WeakPolarHBondContact OD1-CB 3.48Å; D35-S37 PolarHBondContact OD1-N 3.45Å; D35-S37 PolarHBondContact OD1-OG 3.01Å; D35-S37 PolarHBondContact OD2-OG 2.83Å
36A94.8Very high94.5Very high0 Ų064.7 Ų64.70%033%0.329CS..  trans-90-7-177.500000112.8V34 P38 L39 W43 Y46 F48V34-A36 PolarHBondContact O-N 3.29Å; A36-P38 VanDerWaalsContact C-N 3.27Å; A36-P38 VanDerWaalsContact O-N 3.13Å; A36-L39 HydrophobicContact CB-CD1 4.09Å; A36-L39 WeakPolarHBondContact O-CB 3.45Å; A36-L39 WeakPolarHBondContact O-CG 3.39Å; A36-L39 PolarHBondContact O-N 3.4Å; A36-W43 HydrophobicContact CB-CB 4.04Å; A36-W43 VanDerWaalsContact O-CB 3.31Å; A36-W43 WeakPolarHBondContact O-CB 3.18Å; A36-Y46 VanDerWaalsContact CB-O 3.3Å; A36-Y46 WeakPolarHBondContact CB-O 3.27Å; A36-Y46 PolarHBondContact N-O 2.75Å; A36-F48 HydrophobicContact CB-CD1 4.15Å; A36-F48 HydrophobicContact CB-CD2 3.7Å; A36-F48 HydrophobicContact CB-CE1 3.98Å; A36-F48 HydrophobicContact CB-CE2 3.56Å; A36-F48 HydrophobicContact CB-CG 4.02Å; A36-F48 HydrophobicContact CB-CZ 3.72Å
37S92.5Very high94.6Very high38 Ų3863.7 Ų63.727%0.26633%0.329SS..G310 helixtrans-49.9-37.3-178.2-54.60000114.3D35 L39 G45D35-S37 WeakPolarHBondContact OD1-CB 3.48Å; D35-S37 PolarHBondContact OD1-N 3.45Å; D35-S37 PolarHBondContact OD1-OG 3.01Å; D35-S37 PolarHBondContact OD2-OG 2.83Å; S37-L39 VanDerWaalsContact C-N 3.27Å; S37-L39 PolarHBondContact O-N 3.16Å; S37-G45 PolarHBondContact OG-N 3.19Å; S37-G45 VanDerWaalsContact OG-N 3.14Å
38P92Very high94.7Very high75 Ų7555.4 Ų55.449%0.48729%0.29SS..G310 helixtrans-70.9-10.3178-21.535.5000116I24 A36 G40I24-P38 HydrophobicContact CG2-CB 3.81Å; I24-P38 HydrophobicContact CG2-CG 3.97Å; A36-P38 VanDerWaalsContact C-N 3.27Å; A36-P38 VanDerWaalsContact O-N 3.13Å; P38-G40 VanDerWaalsContact C-N 3.31Å
39L92.1Very high94.8Very high6 Ų656.1 Ų56.13%0.03129%0.29CS..G310 helixtrans-72-28178.2-66.3173.8000112.6M1 K21 I24 F25 A36 S37 W43 F48M1-L39 HydrophobicContact CE-CD1 4.26Å; K21-L39 HydrophobicContact CB-CD2 3.96Å; K21-L39 VanDerWaalsContact CD-O 3.28Å; K21-L39 WeakPolarHBondContact CD-O 3.41Å; K21-L39 VanDerWaalsContact CE-O 3.24Å; K21-L39 WeakPolarHBondContact CE-O 3.42Å; K21-L39 PolarHBondContact NZ-O 3.28Å; K21-L39 WeakPolarHBondContact O-CD2 3.47Å; I24-L39 HydrophobicContact CD1-CD1 4.34Å; I24-L39 HydrophobicContact CD1-CD2 3.73Å; I24-L39 HydrophobicContact CD1-CG 3.71Å; F25-L39 HydrophobicContact CE2-CD1 4.32Å; F25-L39 HydrophobicContact CE2-CD2 3.94Å; F25-L39 HydrophobicContact CZ-CD1 3.99Å; F25-L39 HydrophobicContact CZ-CD2 4.38Å; A36-L39 HydrophobicContact CB-CD1 4.09Å; A36-L39 WeakPolarHBondContact O-CB 3.45Å; A36-L39 WeakPolarHBondContact O-CG 3.39Å; A36-L39 PolarHBondContact O-N 3.4Å; S37-L39 VanDerWaalsContact C-N 3.27Å; S37-L39 PolarHBondContact O-N 3.16Å; L39-W43 HydrophobicContact CB-CB 4.33Å; L39-W43 HydrophobicContact CB-CG 4.11Å; L39-W43 HydrophobicContact CD1-CG 4.45Å; L39-F48 HydrophobicContact CD1-CD2 4.3Å; L39-F48 HydrophobicContact CD1-CE2 3.53Å; L39-F48 HydrophobicContact CD1-CZ 4.36Å
40G90.6Very high94.9Very high22 Ų2250.2 Ų50.223%0.22727%0.268CS..  trans158.7165.2-176.900000111.3P38 E42 W43P38-G40 VanDerWaalsContact C-N 3.31Å; G40-E42 VanDerWaalsContact C-N 3.26Å; G40-E42 PolarHBondContact O-N 3.31Å; G40-W43 PolarHBondContact O-N 2.78Å
41E91Very high94.9Very high176 Ų17652.5 Ų52.582%0.82228%0.283SS*.G310 helixtrans-61.7-33.8-176-170.4160.7-158.700113.1W43 K44E41-W43 PolarHBondContact O-N 3.16Å; E41-W43 VanDerWaalsContact O-N 3.17Å; E41-K44 VanDerWaalsContact O-CB 3.23Å; E41-K44 WeakPolarHBondContact O-CB 3.34Å; E41-K44 PolarHBondContact O-N 2.85Å; E41-K44 VanDerWaalsContact O-N 3.11Å
42E91.5Very high94.9Very high112 Ų11250.2 Ų50.252%0.52326%0.264SS..G310 helixtrans-60.9-21.9174.162.5-174.4-17500113.8G40G40-E42 VanDerWaalsContact C-N 3.26Å; G40-E42 PolarHBondContact O-N 3.31Å
43W92.9Very high94.9Very high6 Ų647.6 Ų47.62%0.02325%0.254CS..G310 helixtrans-99.87.1179.4-59.7102.2000113.3I3 I14 A36 L39 G40 E41 G45 Y46 F48 I111 I119I3-W43 HydrophobicContact CD1-CH2 3.45Å; I3-W43 VanDerWaalsContact CD1-CH2 3.45Å; I3-W43 HydrophobicContact CD1-CZ2 3.91Å; I3-W43 HydrophobicContact CD1-CZ3 4.1Å; I14-W43 HydrophobicContact CD1-CH2 3.9Å; I14-W43 HydrophobicContact CD1-CZ2 3.45Å; I14-W43 VanDerWaalsContact CD1-CZ2 3.45Å; A36-W43 HydrophobicContact CB-CB 4.04Å; A36-W43 VanDerWaalsContact O-CB 3.31Å; A36-W43 WeakPolarHBondContact O-CB 3.18Å; L39-W43 HydrophobicContact CB-CB 4.33Å; L39-W43 HydrophobicContact CB-CG 4.11Å; L39-W43 HydrophobicContact CD1-CG 4.45Å; G40-W43 PolarHBondContact O-N 2.78Å; E41-W43 PolarHBondContact O-N 3.16Å; E41-W43 VanDerWaalsContact O-N 3.17Å; W43-G45 PolarHBondContact O-N 2.87Å; W43-Y46 HydrophobicContact CE3-CD2 4.38Å; W43-Y46 HydrophobicContact CE3-CG 4.2Å; W43-Y46 WeakPolarHBondContact O-CB 3.33Å; W43-Y46 PolarHBondContact O-N 2.88Å; W43-F48 AromaticContact CD2-CZ 3.94Å; W43-F48 HydrophobicContact CD2-CZ 3.94Å; W43-F48 AromaticContact CE3-CE1 3.7Å; W43-F48 HydrophobicContact CE3-CE1 3.7Å; W43-F48 HydrophobicContact CE3-CE2 4.34Å; W43-F48 AromaticContact CE3-CZ 3.24Å; W43-F48 HydrophobicContact CE3-CZ 3.24Å; W43-F48 HydrophobicContact CH2-CZ 4.06Å; W43-F48 AromaticContact CZ3-CE1 3.63Å; W43-F48 HydrophobicContact CZ3-CE1 3.63Å; W43-F48 HydrophobicContact CZ3-CE2 4.5Å; W43-F48 AromaticContact CZ3-CZ 3.28Å; W43-F48 HydrophobicContact CZ3-CZ 3.28Å; W43-I111 HydrophobicContact CZ3-CD1 4.41Å; W43-I119 HydrophobicContact CD2-CD1 3.85Å; W43-I119 HydrophobicContact CE3-CD1 3.18Å; W43-I119 HydrophobicContact CH2-CD1 3.35Å; W43-I119 HydrophobicContact CH2-CG2 4.02Å; W43-I119 HydrophobicContact CZ2-CD1 3.9Å; W43-I119 HydrophobicContact CZ2-CG2 4.31Å; W43-I119 HydrophobicContact CZ3-CD1 2.94Å; W43-I119 HydrophobicContact CZ3-CG1 4.39Å
44K94.5Very high94.9Very high113 Ų11345.1 Ų45.149%0.49125%0.245SC..THydrogen-bonded Turntrans-58.3125.1-179.8-171-179.6179.9-171.90111.5E41 Y46 G115 E116E41-K44 VanDerWaalsContact O-CB 3.23Å; E41-K44 WeakPolarHBondContact O-CB 3.34Å; E41-K44 PolarHBondContact O-N 2.85Å; E41-K44 VanDerWaalsContact O-N 3.11Å; K44-Y46 PolarHBondContact O-N 3.45Å; K44-G115 WeakPolarHBondContact O-CA 3.25Å; K44-E116 PolarHBondContact O-N 3.48Å
45G94.7Very high94.9Very high29 Ų2945.1 Ų45.130%0.29925%0.245SC..THydrogen-bonded Turntrans77.7-2.1-179.600000115.1S37 W43S37-G45 PolarHBondContact OG-N 3.19Å; S37-G45 VanDerWaalsContact OG-N 3.14Å; W43-G45 PolarHBondContact O-N 2.87Å
46Y96.5Very high94.9Very high0 Ų047.1 Ų47.10%025%0.249CC..  trans-75.4136.8171.4-78.2-92.2000110.6A36 W43 K44 I111 K113 K114 G115 G117 I119 T123A36-Y46 VanDerWaalsContact CB-O 3.3Å; A36-Y46 WeakPolarHBondContact CB-O 3.27Å; A36-Y46 PolarHBondContact N-O 2.75Å; W43-Y46 HydrophobicContact CE3-CD2 4.38Å; W43-Y46 HydrophobicContact CE3-CG 4.2Å; W43-Y46 WeakPolarHBondContact O-CB 3.33Å; W43-Y46 PolarHBondContact O-N 2.88Å; K44-Y46 PolarHBondContact O-N 3.45Å; Y46-I111 HydrophobicContact CD1-CD1 3.89Å; Y46-I111 HydrophobicContact CD1-CG1 4.41Å; Y46-I111 HydrophobicContact CD1-CG2 3.94Å; Y46-I111 HydrophobicContact CE1-CD1 3.94Å; Y46-I111 HydrophobicContact CE1-CG2 4.31Å; Y46-K113 WeakPolarHBondContact CA-O 3.25Å; Y46-K114 HydrophobicContact CE1-CB 4.24Å; Y46-K114 HydrophobicContact CE1-CG 3.74Å; Y46-K114 WeakPolarHBondContact OH-CG 3.4Å; Y46-G115 VanDerWaalsContact CD2-CA 3.46Å; Y46-G115 VanDerWaalsContact CE1-N 3.34Å; Y46-G115 VanDerWaalsContact CE2-CA 3.49Å; Y46-G115 VanDerWaalsContact CZ-N 3.34Å; Y46-G117 VanDerWaalsContact CE2-O 3.31Å; Y46-G117 WeakPolarHBondContact CE2-O 3.41Å; Y46-G117 VanDerWaalsContact CZ-O 3.31Å; Y46-G117 PolarHBondContact OH-O 3.46Å; Y46-I119 HydrophobicContact CD2-CD1 4.35Å; Y46-I119 HydrophobicContact CE1-CD1 4.15Å; Y46-I119 HydrophobicContact CE2-CD1 3.87Å; Y46-I119 HydrophobicContact CE2-CG1 4.27Å; Y46-T123 HydrophobicContact CE1-CG2 4.2Å
47V97Very high94.9Very high31 Ų3153.8 Ų53.819%0.18828%0.28CS..EExtended strand (participates in β ladder)trans-116.4124171.7-178.40000108.8E33 V112 K113E33-V47 HydrophobicContact CB-CG1 3.89Å; E33-V47 HydrophobicContact CG-CG1 4.41Å; V47-V112 PolarHBondContact O-N 3.21Å; V47-K113 HydrophobicContact CB-CB 3.97Å; V47-K113 HydrophobicContact CG2-CB 4.08Å; V47-K113 HydrophobicContact CG2-CD 4.35Å; V47-K113 PolarHBondContact N-O 3.01Å; V47-K113 VanDerWaalsContact N-O 3.15Å; V47-K113 PolarHBondContact O-N 3.17Å
48F97Very high95.1Very high0 Ų054.1 Ų54.10%029%0.29CS..EExtended strand (participates in β ladder)trans-100.9145.1176.1-62.7-20.6000110.9I3 F25 E33 V34 A36 L39 W43 L109 V110 I111I3-F48 HydrophobicContact CD1-CE2 4.28Å; I3-F48 HydrophobicContact CD1-CZ 4.01Å; I3-F48 HydrophobicContact CG2-CE1 4.33Å; I3-F48 HydrophobicContact CG2-CZ 4.43Å; F25-F48 HydrophobicContact CE1-CD2 4.18Å; F25-F48 HydrophobicContact CZ-CD2 4.01Å; F25-F48 HydrophobicContact CZ-CE2 4.42Å; E33-F48 CarbonylContact C-O 3.48Å; E33-F48 VanDerWaalsContact CA-O 3.23Å; E33-F48 WeakPolarHBondContact CA-O 3.36Å; V34-F48 PolarHBondContact N-O 3.17Å; V34-F48 PolarHBondContact O-N 2.92Å; A36-F48 HydrophobicContact CB-CD1 4.15Å; A36-F48 HydrophobicContact CB-CD2 3.7Å; A36-F48 HydrophobicContact CB-CE1 3.98Å; A36-F48 HydrophobicContact CB-CE2 3.56Å; A36-F48 HydrophobicContact CB-CG 4.02Å; A36-F48 HydrophobicContact CB-CZ 3.72Å; L39-F48 HydrophobicContact CD1-CD2 4.3Å; L39-F48 HydrophobicContact CD1-CE2 3.53Å; L39-F48 HydrophobicContact CD1-CZ 4.36Å; W43-F48 AromaticContact CD2-CZ 3.94Å; W43-F48 HydrophobicContact CD2-CZ 3.94Å; W43-F48 AromaticContact CE3-CE1 3.7Å; W43-F48 HydrophobicContact CE3-CE1 3.7Å; W43-F48 HydrophobicContact CE3-CE2 4.34Å; W43-F48 AromaticContact CE3-CZ 3.24Å; W43-F48 HydrophobicContact CE3-CZ 3.24Å; W43-F48 HydrophobicContact CH2-CZ 4.06Å; W43-F48 AromaticContact CZ3-CE1 3.63Å; W43-F48 HydrophobicContact CZ3-CE1 3.63Å; W43-F48 HydrophobicContact CZ3-CE2 4.5Å; W43-F48 AromaticContact CZ3-CZ 3.28Å; W43-F48 HydrophobicContact CZ3-CZ 3.28Å; F48-L109 HydrophobicContact CB-CD2 4.46Å; F48-L109 HydrophobicContact CD2-CD1 3.73Å; F48-L109 HydrophobicContact CE2-CD1 4.01Å; F48-L109 HydrophobicContact CG-CD1 4.49Å; F48-V110 CarbonylContact C-O 3.47Å; F48-V110 WeakPolarHBondContact CA-O 3.47Å; F48-I111 HydrophobicContact CD1-CG1 3.79Å; F48-I111 HydrophobicContact CE1-CD1 4.16Å; F48-I111 HydrophobicContact CE1-CG1 3.64Å
49R97.8Very high95.3Very high104 Ų10453.7 Ų53.739%0.39228%0.28SS..EExtended strand (participates in β ladder)trans-107.1127.8163.1-171.7177.466-175.1-1.8109.9Q32 E33 T51 V110 V112Q32-R49 WeakPolarHBondContact O-CA 3.23Å; E33-R49 HydrophobicContact CG-CB 4.21Å; E33-R49 HydrophobicContact CG-CG 4.32Å; R49-T51 PolarHBondContact O-N 3.33Å; R49-V110 PolarHBondContact N-O 3.4Å; R49-V110 PolarHBondContact O-N 3.11Å; R49-V112 HydrophobicContact CB-CG2 3.6Å
50I97.6Very high95.6Very high0 Ų055.4 Ų55.40%029%0.292CS..EExtended strand (participates in β ladder)trans-69.7124.1173.6-61.8159000108.4F25 K28 I30 A31 Q32 V34 V100 L107 L109F25-I50 HydrophobicContact CD1-CD1 4.27Å; F25-I50 HydrophobicContact CD1-CG1 4.36Å; K28-I50 HydrophobicContact CB-CD1 3.59Å; K28-I50 HydrophobicContact CG-CD1 4.44Å; I30-I50 HydrophobicContact CG1-CG2 4.34Å; A31-I50 WeakPolarHBondContact CA-O 3.39Å; A31-I50 PolarHBondContact N-O 3Å; Q32-I50 PolarHBondContact O-N 2.9Å; V34-I50 HydrophobicContact CG2-CD1 3.88Å; V34-I50 HydrophobicContact CG2-CG1 4.43Å; I50-V100 HydrophobicContact CD1-CG2 4.16Å; I50-V100 HydrophobicContact CG2-CG2 4.19Å; I50-L107 HydrophobicContact CG2-CD1 3.86Å; I50-L109 HydrophobicContact CB-CD2 4.37Å; I50-L109 HydrophobicContact CG1-CD2 3.78Å
51T97.6Very high95.9Very high61 Ų6155 Ų5537%0.37428%0.284SS..EExtended strand (participates in β ladder)trans-107.4-16.7-179.256.40000113.8R49 S108 V110R49-T51 PolarHBondContact O-N 3.33Å; T51-S108 PolarHBondContact N-O 3.31Å; T51-S108 WeakPolarHBondContact OG1-CB 3.42Å; T51-S108 PolarHBondContact OG1-O 3.22Å; T51-V110 HydrophobicContact CG2-CB 3.9Å; T51-V110 HydrophobicContact CG2-CG2 3.46Å; T51-V110 VanDerWaalsContact CG2-CG2 3.46Å
52G96.6Very high96.2Very high7 Ų748.2 Ų48.27%0.07225%0.252CS..EExtended strand (participates in β ladder)trans149.5-158.3-179.500000110.5S108G52-S108 WeakPolarHBondContact O-CA 3.5Å; G52-S108 WeakPolarHBondContact O-CB 3.46Å; G52-S108 PolarHBondContact O-N 2.97Å
53G96.9Very high96.4Very high8 Ų847.1 Ų47.18%0.08225%0.247CC..EExtended strand (participates in β ladder)trans169.9-174.6-178.400000111.9M61 V106G53-M61 WeakPolarHBondContact O-CG 3.45Å; G53-M61 PolarHBondContact O-N 3.5Å; G53-V106 CarbonylContact C-O 3.57Å; G53-V106 WeakPolarHBondContact CA-O 3.32Å
54N97.3Very high96.6Very high65 Ų6549.5 Ų49.535%0.34827%0.273SS..EExtended strand (participates in β ladder)trans-126.9135.8173.8-6889.4000109.4G58 F59 S105 V106N54-G58 PolarHBondContact ND2-O 2.92Å; N54-F59 WeakPolarHBondContact CA-O 3.39Å; N54-S105 PolarHBondContact O-N 2.78Å; N54-V106 PolarHBondContact N-O 3.02Å; N54-V106 PolarHBondContact O-N 3.38Å
55D96Very high96.6Very high12 Ų1244.9 Ų44.96%0.06425%0.254CS..EExtended strand (participates in β ladder)trans-65.7161.1169.4-170.2-49.2000110.6Q57 G58 F59 R70 H96 N103D55-Q57 PolarHBondContact O-N 2.91Å; D55-Q57 VanDerWaalsContact O-N 3.1Å; D55-Q57 PolarHBondContact OD1-N 3.46Å; D55-G58 WeakPolarHBondContact O-CA 3.43Å; D55-G58 PolarHBondContact O-N 2.54Å; D55-F59 HydrophobicContact CB-CB 4.44Å; D55-F59 PolarHBondContact N-O 2.95Å; D55-R70 IonicContact OD1-CZ 3.75Å; D55-R70 IonicContact OD1-NE 3.96Å; D55-R70 IonicContact OD1-NH2 2.75Å; D55-R70 PolarHBondContact OD1-NH2 2.99Å; D55-R70 IonicContact OD2-CZ 3.24Å; D55-R70 VanDerWaalsContact OD2-CZ 3.24Å; D55-R70 IonicContact OD2-NE 2.72Å; D55-R70 PolarHBondContact OD2-NE 2.88Å; D55-R70 IonicContact OD2-NH2 2.96Å; D55-R70 PolarHBondContact OD2-NH2 2.9Å; D55-H96 HydrophobicContact CB-CB 4.34Å; D55-H96 IonicContact OD2-CE1 3.68Å; D55-H96 IonicContact OD2-CG 3.89Å; D55-H96 IonicContact OD2-ND1 2.9Å; D55-H96 PolarHBondContact OD2-ND1 3.43Å; D55-N103 WeakPolarHBondContact CA-O 3.35Å; D55-N103 VanDerWaalsContact OD1-O 3.09Å
56K95.6Very high96.7Very high124 Ų12449.4 Ų49.454%0.53927%0.271SS..THydrogen-bonded Turntrans-48.6-31.5174.4-73.1171.5-177.7171.50114.6Q102 N103K56-Q102 WeakPolarHBondContact CE-O 3.25Å; K56-Q102 PolarHBondContact NZ-O 3.32Å; K56-N103 WeakPolarHBondContact CG-O 3.4Å; K56-N103 PolarHBondContact N-O 2.84Å
57Q96Very high96.6Very high140 Ų14051.9 Ų51.965%0.65429%0.286SS*.THydrogen-bonded Turntrans-95.814.9176.4-54167.6-3.600113.2D55 F59 R70D55-Q57 PolarHBondContact O-N 2.91Å; D55-Q57 VanDerWaalsContact O-N 3.1Å; D55-Q57 PolarHBondContact OD1-N 3.46Å; Q57-F59 HydrophobicContact CB-CD2 4.03Å; Q57-F59 HydrophobicContact CB-CE2 4.06Å; Q57-F59 PolarHBondContact O-N 2.89Å; Q57-R70 VanDerWaalsContact CB-NH2 3.33Å; Q57-R70 VanDerWaalsContact CD-NH2 3.28Å; Q57-R70 VanDerWaalsContact OE1-CZ 3.24Å
58G95.8Very high96.5Very high45 Ų4553.7 Ų53.746%0.46430%0.295SS..SBendtrans84.10.1173.400000115.7N54 D55N54-G58 PolarHBondContact ND2-O 2.92Å; D55-G58 WeakPolarHBondContact O-CA 3.43Å; D55-G58 PolarHBondContact O-N 2.54Å
59F96.8Very high96.4Very high66 Ų6659.2 Ų59.229%0.28932%0.324SS..PPolyproline II helixtrans-69.4129.3177.4-67.2-85.6000110.9N54 D55 Q57 S94N54-F59 WeakPolarHBondContact CA-O 3.39Å; D55-F59 HydrophobicContact CB-CB 4.44Å; D55-F59 PolarHBondContact N-O 2.95Å; Q57-F59 HydrophobicContact CB-CD2 4.03Å; Q57-F59 HydrophobicContact CB-CE2 4.06Å; Q57-F59 PolarHBondContact O-N 2.89Å; F59-S94 WeakPolarHBondContact CD1-O 3.43Å
60P97.5Very high96.4Very high42 Ų4257.9 Ų57.927%0.27332%0.319SS..BIsolated β-bridgetrans-75.6150-17931.2-35.6000111.1C81 V95 H96P60-C81 HydrophobicContact CG-CB 3.78Å; P60-V95 WeakPolarHBondContact O-CG1 3.42Å; P60-H96 PolarHBondContact O-N 2.97Å
61M97.4Very high96.3Very high14 Ų1460 Ų607%0.06933%0.331CS..BIsolated β-bridgetrans-74.3151.7170.1-53.9-17978.200111.7I30 G53 H96 G97 V100 L104I30-M61 HydrophobicContact CD1-CB 3.64Å; I30-M61 HydrophobicContact CD1-CE 4.21Å; I30-M61 HydrophobicContact CD1-SD 4.35Å; I30-M61 HydrophobicContact CG1-CE 4.21Å; G53-M61 WeakPolarHBondContact O-CG 3.45Å; G53-M61 PolarHBondContact O-N 3.5Å; M61-H96 WeakPolarHBondContact CA-O 3.02Å; M61-H96 HydrophobicContact CG-CB 4.44Å; M61-G97 WeakPolarHBondContact CB-O 3.42Å; M61-G97 WeakPolarHBondContact CE-O 3.49Å; M61-V100 HydrophobicContact CE-CG2 4.17Å; M61-L104 HydrophobicContact CE-CD1 4.26Å; M61-L104 HydrophobicContact CG-CD2 4.16Å; M61-L104 HydrophobicContact SD-CD1 3.87Å; M61-L104 HydrophobicContact SD-CD2 4.01Å
62K96.8Very high96.3Very high33 Ų3364.7 Ų64.714%0.14334%0.342CS..  trans-131.7128.3174.3171.4170.917954.80112.6G64 V65 L73 L75 S80 V95 H96 C98K62-G64 PolarHBondContact O-N 2.99Å; K62-V65 HydrophobicContact CB-CG2 4.22Å; K62-V65 HydrophobicContact CD-CG2 4.26Å; K62-V65 HydrophobicContact CG-CG2 4.08Å; K62-V65 PolarHBondContact O-N 2.96Å; K62-L73 HydrophobicContact CD-CD1 4.01Å; K62-L75 HydrophobicContact CD-CD2 4.45Å; K62-S80 PolarHBondContact NZ-OG 3.03Å; K62-S80 VanDerWaalsContact NZ-OG 3.13Å; K62-V95 HydrophobicContact CB-CG1 3.37Å; K62-V95 HydrophobicContact CD-CG1 4.31Å; K62-V95 HydrophobicContact CG-CG1 4.47Å; K62-H96 PolarHBondContact N-O 3.13Å; K62-C98 WeakPolarHBondContact O-CB 3.38Å
63Q96.8Very high96.4Very high89 Ų8967 Ų6742%0.41635%0.353SS..THydrogen-bonded Turntrans-60.6136.9174.6-178.462.7-41.700112I30I30-Q63 HydrophobicContact CG2-CB 4.25Å; I30-Q63 PolarHBondContact O-NE2 2.9Å
64G95.5Very high96.4Very high56 Ų5669.8 Ų69.858%0.57737%0.365SS*.THydrogen-bonded Turntrans89.2-2.3179.300000115.2K62 L66K62-G64 PolarHBondContact O-N 2.99Å; G64-L66 PolarHBondContact O-N 2.75Å
65V95.9Very high96.4Very high16 Ų1666.8 Ų66.810%0.09735%0.349CS..  trans-91.195.1169.9179.30000107.9K62 T67 V71 L73 G97 C98K62-V65 HydrophobicContact CB-CG2 4.22Å; K62-V65 HydrophobicContact CD-CG2 4.26Å; K62-V65 HydrophobicContact CG-CG2 4.08Å; K62-V65 PolarHBondContact O-N 2.96Å; V65-T67 WeakPolarHBondContact CG1-OG1 3.49Å; V65-T67 PolarHBondContact O-N 2.72Å; V65-V71 HydrophobicContact CG1-CG1 4.38Å; V65-V71 HydrophobicContact CG1-CG2 3.42Å; V65-V71 VanDerWaalsContact CG1-CG2 3.42Å; V65-V71 HydrophobicContact CG2-CG2 4.33Å; V65-L73 HydrophobicContact CG2-CD1 3.67Å; V65-G97 CarbonylContact O-C 3.54Å; V65-C98 PolarHBondContact O-N 2.92Å; V65-C98 PolarHBondContact O-SG 3.1Å
66L95.9Very high96.5Very high125 Ų12567.7 Ų67.765%0.65436%0.357SS*.  trans-77.544.7-170.7-58.3177.1000113.6G64G64-L66 PolarHBondContact O-N 2.75Å
67T95.7Very high96.6Very high51 Ų5168.3 Ų68.331%0.31336%0.36SS..  trans-127.2161.2173.360.40000108.7V65 L69 G97 C98 I99V65-T67 WeakPolarHBondContact CG1-OG1 3.49Å; V65-T67 PolarHBondContact O-N 2.72Å; T67-L69 PolarHBondContact OG1-O 3.42Å; T67-G97 CarbonylContact O-C 3.53Å; T67-G97 WeakPolarHBondContact O-CA 3.31Å; T67-C98 PolarHBondContact O-N 2.82Å; T67-I99 PolarHBondContact O-N 3.18Å
68N94.7Very high96.6Very high70 Ų7065.4 Ų65.437%0.37437%0.367SS..SBendtrans-88.5-22.8161.456.8-15.8000111.1H96 I99 D101N68-H96 PolarHBondContact O-CE1 2.98Å; N68-H96 PolarHBondContact O-ND1 2.95Å; N68-H96 PolarHBondContact O-NE2 3.23Å; N68-H96 VanDerWaalsContact O-NE2 3.16Å; N68-I99 HydrophobicContact CB-CB 4.21Å; N68-I99 HydrophobicContact CB-CG2 4.35Å; N68-D101 HydrophobicContact CB-CB 4.2Å
69L95.3Very high96.6Very high116 Ų11667.2 Ų67.261%0.60736%0.363SS*.SBendtrans-77.4168.2177.6-59.4176.8000112.8T67 G97T67-L69 PolarHBondContact OG1-O 3.42Å; L69-G97 PolarHBondContact O-N 3.22Å
70R96.3Very high96.6Very high75 Ų7566.8 Ų66.828%0.28337%0.368SS..EExtended strand (participates in β ladder)trans-83.2141.7172.3-60.5-174.2-164.4148.311.4112.1D55 Q57 V95 H96D55-R70 IonicContact OD1-CZ 3.75Å; D55-R70 IonicContact OD1-NE 3.96Å; D55-R70 IonicContact OD1-NH2 2.75Å; D55-R70 PolarHBondContact OD1-NH2 2.99Å; D55-R70 IonicContact OD2-CZ 3.24Å; D55-R70 VanDerWaalsContact OD2-CZ 3.24Å; D55-R70 IonicContact OD2-NE 2.72Å; D55-R70 PolarHBondContact OD2-NE 2.88Å; D55-R70 IonicContact OD2-NH2 2.96Å; D55-R70 PolarHBondContact OD2-NH2 2.9Å; Q57-R70 VanDerWaalsContact CB-NH2 3.33Å; Q57-R70 VanDerWaalsContact CD-NH2 3.28Å; Q57-R70 VanDerWaalsContact OE1-CZ 3.24Å; R70-V95 VanDerWaalsContact CA-O 3.3Å; R70-V95 WeakPolarHBondContact CA-O 3.49Å; R70-H96 HydrophobicContact CG-CB 4.18Å
71V97Very high96.5Very high44 Ų4466.6 Ų66.627%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-129.4153177.2-62.70000111V65 L73 S94 V95V65-V71 HydrophobicContact CG1-CG1 4.38Å; V65-V71 HydrophobicContact CG1-CG2 3.42Å; V65-V71 VanDerWaalsContact CG1-CG2 3.42Å; V65-V71 HydrophobicContact CG2-CG2 4.33Å; V71-L73 HydrophobicContact CG2-CD1 4.23Å; V71-L73 HydrophobicContact CG2-CD2 4.18Å; V71-L73 HydrophobicContact CG2-CG 3.95Å; V71-S94 CarbonylContact O-C 3.46Å; V71-S94 WeakPolarHBondContact O-CA 3.3Å; V71-V95 PolarHBondContact N-O 3.32Å; V71-V95 PolarHBondContact O-N 3.37Å
72R97.5Very high96.5Very high160 Ų16067.2 Ų67.260%0.60437%0.369SS*.EExtended strand (participates in β ladder)trans-100.8101.2178-68.7-170.972.8-172.21.8111.4R92 K93 S94R72-R92 HydrophobicContact CB-CG 4.07Å; R72-R92 PolarHBondContact O-NH1 3.21Å; R72-K93 WeakPolarHBondContact CA-O 3.37Å; R72-S94 WeakPolarHBondContact CG-OG 3.43Å
73L97.2Very high96.5Very high57 Ų5773.3 Ų73.330%0.29839%0.392SS..EExtended strand (participates in β ladder)trans-100.7143.8-178.8-59.7176.1000111.8K62 V65 V71 L75 R92 K93K62-L73 HydrophobicContact CD-CD1 4.01Å; V65-L73 HydrophobicContact CG2-CD1 3.67Å; V71-L73 HydrophobicContact CG2-CD1 4.23Å; V71-L73 HydrophobicContact CG2-CD2 4.18Å; V71-L73 HydrophobicContact CG2-CG 3.95Å; L73-L75 HydrophobicContact CB-CD2 3.91Å; L73-L75 HydrophobicContact CB-CG 4.34Å; L73-L75 PolarHBondContact O-N 2.79Å; L73-R92 CarbonylContact O-C 3.56Å; L73-R92 VanDerWaalsContact O-CA 3.25Å; L73-R92 WeakPolarHBondContact O-CA 3.32Å; L73-K93 PolarHBondContact N-O 2.88Å; L73-K93 PolarHBondContact O-N 2.91Å
74L97.8Very high96.5Very high65 Ų6570.2 Ų70.234%0.3438%0.379SS..EExtended strand (participates in β ladder)trans-82.398.2170.8-175.562000110R90 R92L74-R90 HydrophobicContact CD1-CB 3.82Å; L74-R90 HydrophobicContact CG-CB 4.08Å; L74-R92 HydrophobicContact CD1-CB 4.24Å
75L97.7Very high96.5Very high2 Ų276.5 Ų76.51%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-92.9143.7-174.1-57.9177.7000111.9K62 L73 H79 C81 Y82 R90 R91 K93 V95K62-L75 HydrophobicContact CD-CD2 4.45Å; L73-L75 HydrophobicContact CB-CD2 3.91Å; L73-L75 HydrophobicContact CB-CG 4.34Å; L73-L75 PolarHBondContact O-N 2.79Å; L75-H79 HydrophobicContact CB-CB 4.45Å; L75-H79 HydrophobicContact CD2-CB 4.13Å; L75-C81 HydrophobicContact CD1-CB 4.4Å; L75-Y82 HydrophobicContact CB-CD1 3.88Å; L75-Y82 HydrophobicContact CB-CG 4.02Å; L75-Y82 WeakPolarHBondContact O-CE1 3.41Å; L75-R90 CarbonylContact O-C 3.56Å; L75-R90 VanDerWaalsContact O-CA 3.25Å; L75-R90 WeakPolarHBondContact O-CA 3.45Å; L75-R91 PolarHBondContact N-O 2.83Å; L75-R91 PolarHBondContact O-N 3.47Å; L75-K93 HydrophobicContact CD1-CB 4.2Å; L75-V95 HydrophobicContact CD1-CG2 4.05Å
76S97.2Very high96.6Very high31 Ų3185.4 Ų85.422%0.21742%0.417CS..  trans-120.4-179.8177.257.40000110.9G78 H79S76-G78 PolarHBondContact O-N 2.8Å; S76-H79 PolarHBondContact O-N 2.86Å
77K97.6Very high96.6Very high138 Ų13885.9 Ų85.960%0.642%0.421SS*.THydrogen-bonded Turntrans-55.3133.4173.3-168175.7-176.6175.20111.3H79 P84 D87K77-H79 VanDerWaalsContact C-N 3.33Å; K77-P84 HydrophobicContact CB-CG 3.88Å; K77-P84 HydrophobicContact CG-CG 3.97Å; K77-D87 IonicContact NZ-OD1 3.17Å; K77-D87 PolarHBondContact NZ-OD1 2.91Å
78G96.3Very high96.6Very high79 Ų7986.8 Ų86.881%0.81444%0.44SS*.THydrogen-bonded Turntrans91-17.7178.500000114.5S76S76-G78 PolarHBondContact O-N 2.8Å
79H96.9Very high96.7Very high82 Ų8286 Ų8638%0.3843%0.434SS..SBendtrans-70.2143.8169.4-68.9-177.1000111L75 S76 K77L75-H79 HydrophobicContact CB-CB 4.45Å; L75-H79 HydrophobicContact CD2-CB 4.13Å; S76-H79 PolarHBondContact O-N 2.86Å; K77-H79 VanDerWaalsContact C-N 3.33Å
80S95.9Very high96.8Very high57 Ų5787.5 Ų87.540%0.39943%0.432SS..THydrogen-bonded Turntrans-58.9158.2167.456.90000111.8K62 Y82K62-S80 PolarHBondContact NZ-OG 3.03Å; K62-S80 VanDerWaalsContact NZ-OG 3.13Å; S80-Y82 PolarHBondContact O-N 2.7Å; S80-Y82 VanDerWaalsContact O-N 3.17Å
81C96Very high96.8Very high38 Ų3891 Ų9126%0.25745%0.445SS..THydrogen-bonded Turntrans69.33.1176-44.50000115.7P60 L75 K93 V95P60-C81 HydrophobicContact CG-CB 3.78Å; L75-C81 HydrophobicContact CD1-CB 4.4Å; C81-K93 PolarHBondContact O-NZ 2.91Å; C81-V95 HydrophobicContact CB-CG1 4.27Å; C81-V95 HydrophobicContact CB-CG2 4.41Å
82Y96.8Very high96.9Very high27 Ų2795.6 Ų95.611%0.10646%0.457CS..  trans-143.1141.8176.5179.2-121.8000112.5L75 S80 P84 E89 R91 K93L75-Y82 HydrophobicContact CB-CD1 3.88Å; L75-Y82 HydrophobicContact CB-CG 4.02Å; L75-Y82 WeakPolarHBondContact O-CE1 3.41Å; S80-Y82 PolarHBondContact O-N 2.7Å; S80-Y82 VanDerWaalsContact O-N 3.17Å; Y82-P84 HydrophobicContact CE1-CB 3.86Å; Y82-E89 WeakPolarHBondContact OH-CG 3.44Å; Y82-E89 PolarHBondContact OH-OE1 2.97Å; Y82-R91 HydrophobicContact CD2-CB 4.44Å; Y82-R91 HydrophobicContact CE1-CB 4.42Å; Y82-R91 HydrophobicContact CE2-CB 3.68Å; Y82-K93 HydrophobicContact CD2-CD 3.72Å; Y82-K93 HydrophobicContact CE2-CD 4.48Å; Y82-K93 HydrophobicContact CG-CD 4.37Å
83R95.9Very high96.9Very high162 Ų16291.9 Ų91.961%0.61145%0.445SS*.  trans-128.5113.7169.4-175.7175.372.284.5-15.5107.8
84P97.1Very high96.9Very high24 Ų2491.1 Ų91.116%0.15645%0.445CS..  trans-65.5151.4-179.327.6-35000111.6K77 Y82 E89K77-P84 HydrophobicContact CB-CG 3.88Å; K77-P84 HydrophobicContact CG-CG 3.97Å; Y82-P84 HydrophobicContact CE1-CB 3.86Å; P84-E89 HydrophobicContact CB-CB 4.32Å
85R96.4Very high96.9Very high187 Ų18788.1 Ų88.171%0.70643%0.429SS*.SBendtrans-99.8-30.8177.1-59.2-59.8178.8155.5-1.3111.7E89R85-E89 WeakPolarHBondContact CB-OE2 3.46Å; R85-E89 PolarHBondContact N-OE2 3.24Å
86R96.5Very high96.9Very high203 Ų20388.1 Ų88.177%0.76643%0.429SS*.SBendtrans-116.4154.5170.7-61.9-179.8-179.1175.4-0.4110.4E89R86-E89 HydrophobicContact CB-CB 4.28Å; R86-E89 PolarHBondContact N-OE2 2.78Å; R86-E89 VanDerWaalsContact O-CB 3.31Å; R86-E89 WeakPolarHBondContact O-CB 3.44Å; R86-E89 PolarHBondContact O-N 2.84Å
87D96.7Very high96.8Very high136 Ų13686.6 Ų86.673%0.72742%0.419SS*.THydrogen-bonded Turntrans-69.4142.9175-154.136.6000109.9K77 E89K77-D87 IonicContact NZ-OD1 3.17Å; K77-D87 PolarHBondContact NZ-OD1 2.91Å; D87-E89 PolarHBondContact O-N 2.73Å; D87-E89 VanDerWaalsContact O-N 3.16Å
88G95.5Very high96.8Very high69 Ų6980 Ų8071%0.71139%0.39SS*.THydrogen-bonded Turntrans72.9-7.2-173.500000115.9R90G88-R90 PolarHBondContact O-N 3.1Å
89E96.4Very high96.8Very high54 Ų5478.7 Ų78.725%0.25236%0.364SS..  trans-63.1130.5179.6-168.6-162.1148.500111.5Y82 P84 R85 R86 D87Y82-E89 WeakPolarHBondContact OH-CG 3.44Å; Y82-E89 PolarHBondContact OH-OE1 2.97Å; P84-E89 HydrophobicContact CB-CB 4.32Å; R85-E89 WeakPolarHBondContact CB-OE2 3.46Å; R85-E89 PolarHBondContact N-OE2 3.24Å; R86-E89 HydrophobicContact CB-CB 4.28Å; R86-E89 PolarHBondContact N-OE2 2.78Å; R86-E89 VanDerWaalsContact O-CB 3.31Å; R86-E89 WeakPolarHBondContact O-CB 3.44Å; R86-E89 PolarHBondContact O-N 2.84Å; D87-E89 PolarHBondContact O-N 2.73Å; D87-E89 VanDerWaalsContact O-N 3.16Å
90R97.5Very high96.8Very high148 Ų14875 Ų7556%0.55835%0.347SS*.  trans-116136.7167.7-59.3-179.168.9-176.91.2109.1L74 L75 G88L74-R90 HydrophobicContact CD1-CB 3.82Å; L74-R90 HydrophobicContact CG-CB 4.08Å; L75-R90 CarbonylContact O-C 3.56Å; L75-R90 VanDerWaalsContact O-CA 3.25Å; L75-R90 WeakPolarHBondContact O-CA 3.45Å; G88-R90 PolarHBondContact O-N 3.1Å
91R97.5Very high96.8Very high149 Ų14973.4 Ų73.456%0.56233%0.334SS*.EExtended strand (participates in β ladder)trans-130.7131.5178.8-169.8170178.9174.1-0.3111.3L75 Y82 K93L75-R91 PolarHBondContact N-O 2.83Å; L75-R91 PolarHBondContact O-N 3.47Å; Y82-R91 HydrophobicContact CD2-CB 4.44Å; Y82-R91 HydrophobicContact CE1-CB 4.42Å; Y82-R91 HydrophobicContact CE2-CB 3.68Å; R91-K93 HydrophobicContact CG-CG 4.17Å; R91-K93 PolarHBondContact O-N 2.98Å
92R98Very high96.7Very high140 Ų14076.5 Ų76.553%0.52835%0.345SS..EExtended strand (participates in β ladder)trans-77.6114.6173.3-168.2176.4-73.6-102.511.2109.6R72 L73 L74R72-R92 HydrophobicContact CB-CG 4.07Å; R72-R92 PolarHBondContact O-NH1 3.21Å; L73-R92 CarbonylContact O-C 3.56Å; L73-R92 VanDerWaalsContact O-CA 3.25Å; L73-R92 WeakPolarHBondContact O-CA 3.32Å; L74-R92 HydrophobicContact CD1-CB 4.24Å
93K97.5Very high96.5Very high81 Ų8178.8 Ų78.835%0.35236%0.359SS..EExtended strand (participates in β ladder)trans-125.1146.3-179.6-64.2-170.172.1-172.20110.8R72 L73 L75 C81 Y82 R91R72-K93 WeakPolarHBondContact CA-O 3.37Å; L73-K93 PolarHBondContact N-O 2.88Å; L73-K93 PolarHBondContact O-N 2.91Å; L75-K93 HydrophobicContact CD1-CB 4.2Å; C81-K93 PolarHBondContact O-NZ 2.91Å; Y82-K93 HydrophobicContact CD2-CD 3.72Å; Y82-K93 HydrophobicContact CE2-CD 4.48Å; Y82-K93 HydrophobicContact CG-CD 4.37Å; R91-K93 HydrophobicContact CG-CG 4.17Å; R91-K93 PolarHBondContact O-N 2.98Å
94S97.7Very high96.4Very high42 Ų4272.3 Ų72.329%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-74.8135.8169.2-50.80000109.7F59 V71 R72F59-S94 WeakPolarHBondContact CD1-O 3.43Å; V71-S94 CarbonylContact O-C 3.46Å; V71-S94 WeakPolarHBondContact O-CA 3.3Å; R72-S94 WeakPolarHBondContact CG-OG 3.43Å
95V97.3Very high96.3Very high1 Ų175 Ų751%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-141.4139.7-178.9-166.40000107.7P60 K62 R70 V71 L75 C81P60-V95 WeakPolarHBondContact O-CG1 3.42Å; K62-V95 HydrophobicContact CB-CG1 3.37Å; K62-V95 HydrophobicContact CD-CG1 4.31Å; K62-V95 HydrophobicContact CG-CG1 4.47Å; R70-V95 VanDerWaalsContact CA-O 3.3Å; R70-V95 WeakPolarHBondContact CA-O 3.49Å; V71-V95 PolarHBondContact N-O 3.32Å; V71-V95 PolarHBondContact O-N 3.37Å; L75-V95 HydrophobicContact CD1-CG2 4.05Å; C81-V95 HydrophobicContact CB-CG1 4.27Å; C81-V95 HydrophobicContact CB-CG2 4.41Å
96H97.2Very high96.3Very high2 Ų268 Ų681%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-75.8149.2174.4-172.698.2000109.5D55 P60 M61 K62 N68 R70 D101D55-H96 HydrophobicContact CB-CB 4.34Å; D55-H96 IonicContact OD2-CE1 3.68Å; D55-H96 IonicContact OD2-CG 3.89Å; D55-H96 IonicContact OD2-ND1 2.9Å; D55-H96 PolarHBondContact OD2-ND1 3.43Å; P60-H96 PolarHBondContact O-N 2.97Å; M61-H96 WeakPolarHBondContact CA-O 3.02Å; M61-H96 HydrophobicContact CG-CB 4.44Å; K62-H96 PolarHBondContact N-O 3.13Å; N68-H96 PolarHBondContact O-CE1 2.98Å; N68-H96 PolarHBondContact O-ND1 2.95Å; N68-H96 PolarHBondContact O-NE2 3.23Å; N68-H96 VanDerWaalsContact O-NE2 3.16Å; R70-H96 HydrophobicContact CG-CB 4.18Å; H96-D101 IonicContact CE1-OD1 3.72Å; H96-D101 IonicContact NE2-OD1 3.93Å
97G96.8Very high96.3Very high0 Ų059.1 Ų59.10%030%0.301CS..  trans-67.7-176.5-17900000113.6M61 V65 T67 L69M61-G97 WeakPolarHBondContact CB-O 3.42Å; M61-G97 WeakPolarHBondContact CE-O 3.49Å; V65-G97 CarbonylContact O-C 3.54Å; T67-G97 CarbonylContact O-C 3.53Å; T67-G97 WeakPolarHBondContact O-CA 3.31Å; L69-G97 PolarHBondContact O-N 3.22Å
98C97Very high96.4Very high0 Ų054 Ų540%028%0.276CS..SBendtrans-94.2-13.2-179.271.20000113.6R29 I30 K62 V65 T67R29-C98 CarbonylContact C-O 3.53Å; R29-C98 VanDerWaalsContact CA-O 3.25Å; R29-C98 WeakPolarHBondContact CA-O 3.24Å; I30-C98 HydrophobicContact CB-CB 4.25Å; I30-C98 HydrophobicContact CD1-CB 4Å; I30-C98 HydrophobicContact CG1-CB 4.15Å; I30-C98 PolarHBondContact N-O 3.24Å; K62-C98 WeakPolarHBondContact O-CB 3.38Å; V65-C98 PolarHBondContact O-N 2.92Å; V65-C98 PolarHBondContact O-SG 3.1Å; T67-C98 PolarHBondContact O-N 2.82Å
99I97.1Very high96.5Very high51 Ų5150.8 Ų50.826%0.26224%0.242SC..BIsolated β-bridgetrans-81130.9179.2-56.4176000108.2T67 N68T67-I99 PolarHBondContact O-N 3.18Å; N68-I99 HydrophobicContact CB-CB 4.21Å; N68-I99 HydrophobicContact CB-CG2 4.35Å
100V96.9Very high96.5Very high5 Ų549.4 Ų49.43%0.0324%0.238CC..  trans-79.6129.2-179.7175.60000109.7F25 Y26 E27 K28 I50 M61 L104 L107F25-V100 HydrophobicContact CB-CG1 4.09Å; F25-V100 VanDerWaalsContact O-CB 3.27Å; F25-V100 WeakPolarHBondContact O-CB 3.45Å; F25-V100 WeakPolarHBondContact O-CG1 3.47Å; Y26-V100 HydrophobicContact CD1-CG1 4.26Å; E27-V100 PolarHBondContact N-O 2.92Å; E27-V100 VanDerWaalsContact N-O 3.16Å; K28-V100 WeakPolarHBondContact O-CG2 3.31Å; K28-V100 PolarHBondContact O-N 3.32Å; I50-V100 HydrophobicContact CD1-CG2 4.16Å; I50-V100 HydrophobicContact CG2-CG2 4.19Å; M61-V100 HydrophobicContact CE-CG2 4.17Å; V100-L104 HydrophobicContact CB-CD1 4.43Å; V100-L104 HydrophobicContact CG1-CD1 3.87Å; V100-L104 HydrophobicContact CG2-CD1 4.4Å; V100-L107 HydrophobicContact CG1-CD1 4.36Å; V100-L107 HydrophobicContact CG2-CD1 3.9Å
101D94.5Very high96.5Very high22 Ų2242.6 Ų42.612%0.11821%0.212CC..  trans-129.4-178.4172.676.8-10.4000111N68 H96 N103N68-D101 HydrophobicContact CB-CB 4.2Å; H96-D101 IonicContact CE1-OD1 3.72Å; H96-D101 IonicContact NE2-OD1 3.93Å; D101-N103 PolarHBondContact O-N 2.95Å; D101-N103 WeakPolarHBondContact OD1-CA 3.23Å; D101-N103 WeakPolarHBondContact OD1-CB 3.34Å; D101-N103 PolarHBondContact OD1-N 3.25Å; D101-N103 WeakPolarHBondContact OD2-CB 3.25Å; D101-N103 PolarHBondContact OD2-ND2 3.42Å
102Q93.7Very high96.4Very high104 Ų10438.9 Ų38.949%0.48621%0.206SC..THydrogen-bonded Turntrans-72.5-8.6176.7-169.9177.91800113.3E19 Y26 K56 L104E19-Q102 PolarHBondContact OE1-NE2 3.47Å; E19-Q102 PolarHBondContact OE1-OE1 2.9Å; E19-Q102 PolarHBondContact OE2-NE2 2.96Å; Y26-Q102 HydrophobicContact CE1-CB 4.36Å; Y26-Q102 WeakPolarHBondContact OH-CG 3.41Å; K56-Q102 WeakPolarHBondContact CE-O 3.25Å; K56-Q102 PolarHBondContact NZ-O 3.32Å; Q102-L104 PolarHBondContact O-N 3.12Å
103N93.1Very high96.3Very high74 Ų7438.5 Ų38.540%0.39621%0.208SC..THydrogen-bonded Turntrans-87.814.9-176.5-61.8-46.9000113.3D55 K56 D101D55-N103 WeakPolarHBondContact CA-O 3.35Å; D55-N103 VanDerWaalsContact OD1-O 3.09Å; K56-N103 WeakPolarHBondContact CG-O 3.4Å; K56-N103 PolarHBondContact N-O 2.84Å; D101-N103 PolarHBondContact O-N 2.95Å; D101-N103 WeakPolarHBondContact OD1-CA 3.23Å; D101-N103 WeakPolarHBondContact OD1-CB 3.34Å; D101-N103 PolarHBondContact OD1-N 3.25Å; D101-N103 WeakPolarHBondContact OD2-CB 3.25Å; D101-N103 PolarHBondContact OD2-ND2 3.42Å
104L94.5Very high96.2Very high26 Ų2638.3 Ų38.314%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-86.9140.9171.9-59.1-178.6000111.4M61 V100 Q102 L107M61-L104 HydrophobicContact CE-CD1 4.26Å; M61-L104 HydrophobicContact CG-CD2 4.16Å; M61-L104 HydrophobicContact SD-CD1 3.87Å; M61-L104 HydrophobicContact SD-CD2 4.01Å; V100-L104 HydrophobicContact CB-CD1 4.43Å; V100-L104 HydrophobicContact CG1-CD1 3.87Å; V100-L104 HydrophobicContact CG2-CD1 4.4Å; Q102-L104 PolarHBondContact O-N 3.12Å; L104-L107 HydrophobicContact CD1-CD1 3.88Å
105S94.8Very high96Very high82 Ų8236.9 Ų36.957%0.57320%0.199SC*.EExtended strand (participates in β ladder)trans-89.4-40.8167.6166.30000110.7N54N54-S105 PolarHBondContact O-N 2.78Å
106V96.5Very high95.8Very high40 Ų4044.5 Ų44.524%0.24224%0.235CC..EExtended strand (participates in β ladder)trans-136.5122.3179.6-177.60000110N2 L13 G53 N54N2-V106 HydrophobicContact CB-CG1 3.92Å; L13-V106 HydrophobicContact CD1-CG1 4.43Å; G53-V106 CarbonylContact C-O 3.57Å; G53-V106 WeakPolarHBondContact CA-O 3.32Å; N54-V106 PolarHBondContact N-O 3.02Å; N54-V106 PolarHBondContact O-N 3.38Å
107L96.9Very high95.5Very high15 Ų1546 Ų468%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-93.9128167-169.164.7000110M1 N2 F25 I50 V100 L104 L109M1-L107 CarbonylContact C-O 3.58Å; M1-L107 WeakPolarHBondContact CA-O 3.48Å; N2-L107 PolarHBondContact N-O 3.3Å; F25-L107 HydrophobicContact CB-CD2 3.92Å; F25-L107 HydrophobicContact CD1-CD2 4Å; F25-L107 HydrophobicContact CD2-CD2 3.99Å; F25-L107 HydrophobicContact CE2-CD2 4.48Å; F25-L107 HydrophobicContact CG-CD2 3.71Å; I50-L107 HydrophobicContact CG2-CD1 3.86Å; V100-L107 HydrophobicContact CG1-CD1 4.36Å; V100-L107 HydrophobicContact CG2-CD1 3.9Å; L104-L107 HydrophobicContact CD1-CD1 3.88Å; L107-L109 HydrophobicContact CD2-CD2 3.86Å; L107-L109 HydrophobicContact CD2-CG 4.38Å; L107-L109 HydrophobicContact CG-CD2 3.93Å; L107-L109 HydrophobicContact CG-CG 4.25Å
108S97.5Very high95.2Very high29 Ų2951.5 Ų51.520%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-97.2122.3177.4-59.70000110.8N2 T51 G52N2-S108 WeakPolarHBondContact O-CA 3.16Å; T51-S108 PolarHBondContact N-O 3.31Å; T51-S108 WeakPolarHBondContact OG1-CB 3.42Å; T51-S108 PolarHBondContact OG1-O 3.22Å; G52-S108 WeakPolarHBondContact O-CA 3.5Å; G52-S108 WeakPolarHBondContact O-CB 3.46Å; G52-S108 PolarHBondContact O-N 2.97Å
109L97.3Very high95Very high1 Ų151.7 Ų51.71%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-124.6145.9-171.5-60.6173.3000110.5M1 N2 I3 A4 F25 F48 I50 L107M1-L109 HydrophobicContact CB-CD1 4.22Å; M1-L109 HydrophobicContact CG-CD1 4.34Å; M1-L109 HydrophobicContact SD-CD1 3.81Å; N2-L109 PolarHBondContact O-N 2.95Å; I3-L109 WeakPolarHBondContact CA-O 3.21Å; I3-L109 HydrophobicContact CG1-CB 4.25Å; I3-L109 HydrophobicContact CG1-CD1 4.19Å; A4-L109 PolarHBondContact N-O 2.92Å; F25-L109 HydrophobicContact CE1-CD1 4.14Å; F25-L109 HydrophobicContact CE1-CD2 4.07Å; F25-L109 HydrophobicContact CZ-CD1 3.81Å; F48-L109 HydrophobicContact CB-CD2 4.46Å; F48-L109 HydrophobicContact CD2-CD1 3.73Å; F48-L109 HydrophobicContact CE2-CD1 4.01Å; F48-L109 HydrophobicContact CG-CD1 4.49Å; I50-L109 HydrophobicContact CB-CD2 4.37Å; I50-L109 HydrophobicContact CG1-CD2 3.78Å; L107-L109 HydrophobicContact CD2-CD2 3.86Å; L107-L109 HydrophobicContact CD2-CG 4.38Å; L107-L109 HydrophobicContact CG-CD2 3.93Å; L107-L109 HydrophobicContact CG-CG 4.25Å
110V97.7Very high94.7Very high25 Ų2552.8 Ų52.815%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-123.3129.2172.9167.50000109.3A4 P6 F48 R49 T51 V112A4-V110 HydrophobicContact CB-CG2 4.4Å; A4-V110 WeakPolarHBondContact O-CA 3.44Å; P6-V110 HydrophobicContact CG-CG1 3.65Å; F48-V110 CarbonylContact C-O 3.47Å; F48-V110 WeakPolarHBondContact CA-O 3.47Å; R49-V110 PolarHBondContact N-O 3.4Å; R49-V110 PolarHBondContact O-N 3.11Å; T51-V110 HydrophobicContact CG2-CB 3.9Å; T51-V110 HydrophobicContact CG2-CG2 3.46Å; T51-V110 VanDerWaalsContact CG2-CG2 3.46Å; V110-V112 PolarHBondContact O-N 3.32Å
111I96.8Very high94.4Very high5 Ų554 Ų543%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-70.4122.3171.8-64179.5000109.2I3 A4 Y5 W43 Y46 F48 K113 L122I3-I111 HydrophobicContact CG2-CD1 4.09Å; I3-I111 HydrophobicContact CG2-CG1 3.95Å; A4-I111 PolarHBondContact O-N 3.47Å; Y5-I111 HydrophobicContact CD2-CB 3.79Å; Y5-I111 HydrophobicContact CD2-CG2 3.8Å; Y5-I111 HydrophobicContact CE2-CB 4.48Å; Y5-I111 HydrophobicContact CE2-CG2 4.01Å; Y5-I111 HydrophobicContact CG-CB 4.44Å; Y5-I111 HydrophobicContact CG-CD1 4.48Å; W43-I111 HydrophobicContact CZ3-CD1 4.41Å; Y46-I111 HydrophobicContact CD1-CD1 3.89Å; Y46-I111 HydrophobicContact CD1-CG1 4.41Å; Y46-I111 HydrophobicContact CD1-CG2 3.94Å; Y46-I111 HydrophobicContact CE1-CD1 3.94Å; Y46-I111 HydrophobicContact CE1-CG2 4.31Å; F48-I111 HydrophobicContact CD1-CG1 3.79Å; F48-I111 HydrophobicContact CE1-CD1 4.16Å; F48-I111 HydrophobicContact CE1-CG1 3.64Å; I111-K113 WeakPolarHBondContact CG2-O 3.21Å; I111-L122 HydrophobicContact CD1-CD2 3.28Å; I111-L122 HydrophobicContact CG1-CD2 4.45Å
112V96.2Very high94.4Very high71 Ų7153 Ų5343%0.4330%0.297SS..EExtended strand (participates in β ladder)trans-96.9-43.6174.1-178.40000110.3V47 R49 V110V47-V112 PolarHBondContact O-N 3.21Å; R49-V112 HydrophobicContact CB-CG2 3.6Å; V110-V112 PolarHBondContact O-N 3.32Å
113K95.9Very high94.3Very high132 Ų13248.4 Ų48.457%0.57428%0.276SS*.EExtended strand (participates in β ladder)trans-121.7127177.2-172.8178.2176.1-175.60109.7Y46 V47 I111Y46-K113 WeakPolarHBondContact CA-O 3.25Å; V47-K113 HydrophobicContact CB-CB 3.97Å; V47-K113 HydrophobicContact CG2-CB 4.08Å; V47-K113 HydrophobicContact CG2-CD 4.35Å; V47-K113 PolarHBondContact N-O 3.01Å; V47-K113 VanDerWaalsContact N-O 3.15Å; V47-K113 PolarHBondContact O-N 3.17Å; I111-K113 WeakPolarHBondContact CG2-O 3.21Å
114K95Very high94.2Very high78 Ų7848.5 Ų48.534%0.33928%0.276SS..  trans-74133.5172.2-168.2-169.4173.6-175.40108.4Y46 E118 T123Y46-K114 HydrophobicContact CE1-CB 4.24Å; Y46-K114 HydrophobicContact CE1-CG 3.74Å; Y46-K114 WeakPolarHBondContact OH-CG 3.4Å; K114-E118 IonicContact NZ-OE1 3.87Å; K114-E118 PolarHBondContact NZ-OE1 3.38Å; K114-T123 HydrophobicContact CG-CG2 4.42Å
115G93.4Very high94.1Very high12 Ų1254 Ų5412%0.12430%0.299CS..  trans-80.3-169.3170.200000112.8K44 Y46K44-G115 WeakPolarHBondContact O-CA 3.25Å; Y46-G115 VanDerWaalsContact CD2-CA 3.46Å; Y46-G115 VanDerWaalsContact CE1-N 3.34Å; Y46-G115 VanDerWaalsContact CE2-CA 3.49Å; Y46-G115 VanDerWaalsContact CZ-N 3.34Å
116E92.1Very high94.1Very high161 Ų16155.6 Ų55.675%0.75231%0.305SS*.SBendtrans-74.7-45.2-175.9-67169.9-172.700112K44K44-E116 PolarHBondContact O-N 3.48Å
117G91Very high93.9Very high34 Ų3458.7 Ų58.735%0.35132%0.319SS..SBendtrans-75.7151.3-179.600000113Y46Y46-G117 VanDerWaalsContact CE2-O 3.31Å; Y46-G117 WeakPolarHBondContact CE2-O 3.41Å; Y46-G117 VanDerWaalsContact CZ-O 3.31Å; Y46-G117 PolarHBondContact OH-O 3.46Å
118E92Very high93.7Very high115 Ų11562.3 Ų62.354%0.53735%0.351SS..  trans-92.8149169.5-55-144.9132.100111.2K114 T123 D124K114-E118 IonicContact NZ-OE1 3.87Å; K114-E118 PolarHBondContact NZ-OE1 3.38Å; E118-T123 WeakPolarHBondContact CA-OG1 3.48Å; E118-D124 WeakPolarHBondContact CB-OD1 3.49Å
119I91.6Very high93.4Very high3 Ų372 Ų722%0.01538%0.383CS..  trans-118.7116-172.9-54.8-175000109.7W43 Y46 G121 L122 T123 D124W43-I119 HydrophobicContact CD2-CD1 3.85Å; W43-I119 HydrophobicContact CE3-CD1 3.18Å; W43-I119 HydrophobicContact CH2-CD1 3.35Å; W43-I119 HydrophobicContact CH2-CG2 4.02Å; W43-I119 HydrophobicContact CZ2-CD1 3.9Å; W43-I119 HydrophobicContact CZ2-CG2 4.31Å; W43-I119 HydrophobicContact CZ3-CD1 2.94Å; W43-I119 HydrophobicContact CZ3-CG1 4.39Å; Y46-I119 HydrophobicContact CD2-CD1 4.35Å; Y46-I119 HydrophobicContact CE1-CD1 4.15Å; Y46-I119 HydrophobicContact CE2-CD1 3.87Å; Y46-I119 HydrophobicContact CE2-CG1 4.27Å; I119-G121 PolarHBondContact O-N 3.12Å; I119-L122 HydrophobicContact CB-CB 4.37Å; I119-L122 HydrophobicContact CG2-CB 4.14Å; I119-L122 PolarHBondContact O-N 3.07Å; I119-T123 PolarHBondContact N-OG1 2.85Å; I119-T123 PolarHBondContact O-N 3.49Å; I119-T123 VanDerWaalsContact O-N 3.1Å; I119-T123 PolarHBondContact O-OG1 3.38Å; I119-D124 VanDerWaalsContact C-OD1 3.24Å; I119-D124 PolarHBondContact N-OD1 3.36Å
120P92.1Very high93Very high75 Ų7580.9 Ų80.949%0.48742%0.417SS..THydrogen-bonded Turntrans-60.9123.3-172.620.2-30.4000112.2K12 L122 D124K12-P120 PolarHBondContact NZ-O 3.46Å; P120-L122 VanDerWaalsContact C-N 3.34Å; P120-D124 VanDerWaalsContact CA-OD2 3.25Å; P120-D124 WeakPolarHBondContact CA-OD2 3.48Å
121G90.8Very high92.7Very high31 Ų3185.7 Ų85.732%0.3244%0.441SS..THydrogen-bonded Turntrans841.7179.800000115.1I119I119-G121 PolarHBondContact O-N 3.12Å
122L92.7Very high92.6Very high0 Ų086.9 Ų86.90%046%0.455CS..THydrogen-bonded Turntrans-124.3-52-177.6-156135.4000112.3I3 T8 C10 K12 I111 I119 P120I3-L122 HydrophobicContact CB-CD1 3.93Å; I3-L122 HydrophobicContact CG2-CD1 3.94Å; I3-L122 HydrophobicContact CG2-CD2 4.25Å; I3-L122 WeakPolarHBondContact O-CD1 3.34Å; T8-L122 PolarHBondContact OG1-O 3.3Å; C10-L122 WeakPolarHBondContact CB-O 3.38Å; K12-L122 HydrophobicContact CB-CD1 3.41Å; K12-L122 VanDerWaalsContact CB-CD1 3.41Å; K12-L122 HydrophobicContact CB-CG 4.48Å; I111-L122 HydrophobicContact CD1-CD2 3.28Å; I111-L122 HydrophobicContact CG1-CD2 4.45Å; I119-L122 HydrophobicContact CB-CB 4.37Å; I119-L122 HydrophobicContact CG2-CB 4.14Å; I119-L122 PolarHBondContact O-N 3.07Å; P120-L122 VanDerWaalsContact C-N 3.34Å
123T92.8Very high92.6Very high8 Ų884.9 Ų84.95%0.04944%0.443CS..THydrogen-bonded Turntrans-98.2-28.4176.255.20000113.7Y5 Y46 K114 E118 I119Y5-T123 HydrophobicContact CD1-CG2 3.84Å; Y5-T123 HydrophobicContact CE1-CG2 4.01Å; Y46-T123 HydrophobicContact CE1-CG2 4.2Å; K114-T123 HydrophobicContact CG-CG2 4.42Å; E118-T123 WeakPolarHBondContact CA-OG1 3.48Å; I119-T123 PolarHBondContact N-OG1 2.85Å; I119-T123 PolarHBondContact O-N 3.49Å; I119-T123 VanDerWaalsContact O-N 3.1Å; I119-T123 PolarHBondContact O-OG1 3.38Å
124D91.3Very high92.7Very high75 Ų7584.2 Ų84.240%0.40144%0.44SS..SBendtrans-74.3-34.3-169.7-48.78.8000111.9E118 I119 P120E118-D124 WeakPolarHBondContact CB-OD1 3.49Å; I119-D124 VanDerWaalsContact C-OD1 3.24Å; I119-D124 PolarHBondContact N-OD1 3.36Å; P120-D124 VanDerWaalsContact CA-OD2 3.25Å; P120-D124 WeakPolarHBondContact CA-OD2 3.48Å
125K92.5Very high92.8Very high143 Ų14385.8 Ų85.862%0.62244%0.444SS*.  trans-98.4137.2-178.7-64.2-177.8-177.71780109.3T8 C10T8-K125 WeakPolarHBondContact CB-O 3.49Å; T8-K125 WeakPolarHBondContact CG2-O 3.23Å; C10-K125 PolarHBondContact SG-O 2.92Å
126T93.9Very high93Very high115 Ų11585.5 Ų85.571%0.70644%0.441SS*.  trans-111.9123.2171.848.20000110.1T8T8-T126 HydrophobicContact CG2-CG2 3.82Å
127I92.8Very high93.2Very high105 Ų10581.1 Ų81.154%0.53843%0.428SS..  trans-97.8111.9175.3-61.2172000108.3T8 A9T8-I127 PolarHBondContact O-N 3.16Å; A9-I127 HydrophobicContact CB-CB 4.4Å
128A91.7Very high93.6Very high90 Ų9085.4 Ų85.474%0.74444%0.437SS*.  trans-62.8144.3177.100000111.8R130A128-R130 PolarHBondContact O-N 2.77Å
129R91.9Very high93.8Very high233 Ų23380 Ų8088%0.87941%0.411SS*.  trans-64.2120.6176.5-68.6-177.3179.8178.31.7110.3L131R129-L131 VanDerWaalsContact C-N 3.27Å; R129-L131 PolarHBondContact O-N 3.35Å
130R88.2Confident94.1Very high188 Ų18883.7 Ų83.771%0.70943%0.425SS*.SBendtrans-60.1-30.5-177.6-175.4179.6175.7-152.11.4114.8A128A128-R130 PolarHBondContact O-N 2.77Å
131L92.6Very high94.3Very high126 Ų12688.5 Ų88.566%0.6644%0.438SS*.  trans-126.9128.6-171.3-62.4177.2000111.3R129R129-L131 VanDerWaalsContact C-N 3.27Å; R129-L131 PolarHBondContact O-N 3.35Å
132G93.5Very high94.6Very high30 Ų3091.4 Ų91.431%0.30945%0.446SS..  trans-79.5174.6169.400000113.5
133P97.1Very high94.8Very high29 Ų2995.5 Ų95.519%0.18846%0.464CS..  trans-67.5132.6178.126.3-31.8000112.4K138 I139 L142P133-K138 HydrophobicContact CB-CB 3.55Å; P133-I139 HydrophobicContact CB-CG1 4.19Å; P133-I139 HydrophobicContact CG-CG1 3.93Å; P133-I139 WeakPolarHBondContact O-CG1 3.04Å; P133-L142 HydrophobicContact CG-CB 4.31Å; P133-L142 HydrophobicContact CG-CD2 3.71Å
134K97.5Very high95Very high117 Ų117102.2 Ų102.251%0.50950%0.5SS..  trans-90.5-25.9177.1178.5173.5179.4-179.60114.5P174 K175 I176 Q177K134-P174 HydrophobicContact CB-CB 4.35Å; K134-P174 HydrophobicContact CD-CB 4.48Å; K134-P174 HydrophobicContact CG-CB 4.16Å; K134-K175 WeakPolarHBondContact CE-O 3.45Å; K134-K175 WeakPolarHBondContact CG-O 3.43Å; K134-I176 WeakPolarHBondContact O-CA 3.23Å; K134-Q177 PolarHBondContact O-N 2.89Å
135R97.7Very high95.2Very high111 Ų111100 Ų10042%0.41949%0.488SS..BIsolated β-bridgetrans-88.4135.1-174.1-171.9-175.2-66.6-175.41.1109.6S137 K138 I139 R178R135-S137 VanDerWaalsContact C-N 3.29Å; R135-S137 WeakPolarHBondContact CD-OG 3.39Å; R135-S137 PolarHBondContact O-N 3.22Å; R135-K138 HydrophobicContact CB-CB 4.36Å; R135-K138 HydrophobicContact CB-CD 4.49Å; R135-K138 HydrophobicContact CB-CG 4.24Å; R135-K138 WeakPolarHBondContact O-CA 3.48Å; R135-K138 WeakPolarHBondContact O-CB 3.44Å; R135-K138 PolarHBondContact O-N 3.39Å; R135-I139 PolarHBondContact O-N 3.07Å; R135-I139 VanDerWaalsContact O-N 3.07Å; R135-R178 HydrophobicContact CG-CG 4.45Å
136A97.3Very high95.4Very high7 Ų795.5 Ų95.56%0.05847%0.474CS..Hα-helixtrans-49.8-46.2-178.300000113.1K138 I139 R140 V151 I176 Q177A136-K138 VanDerWaalsContact C-N 3.31Å; A136-K138 PolarHBondContact O-N 3.41Å; A136-I139 PolarHBondContact O-N 2.95Å; A136-R140 PolarHBondContact O-N 3.03Å; A136-V151 HydrophobicContact CB-CG2 4.18Å; A136-I176 HydrophobicContact CB-CG2 3.89Å; A136-Q177 PolarHBondContact N-O 3.31Å
137S97.2Very high95.4Very high69 Ų6997.8 Ų97.848%0.48347%0.474SS..Hα-helixtrans-64.9-30.9178.263.70000114.2R135 K141R135-S137 VanDerWaalsContact C-N 3.29Å; R135-S137 WeakPolarHBondContact CD-OG 3.39Å; R135-S137 PolarHBondContact O-N 3.22Å; S137-K141 PolarHBondContact O-N 3.46Å
138K97.6Very high95.4Very high124 Ų124100.3 Ų100.354%0.53948%0.484SS..Hα-helixtrans-76.1-31.8176.4-70.3-169.2173.9-168.40111.9P133 R135 A136 L142P133-K138 HydrophobicContact CB-CB 3.55Å; R135-K138 HydrophobicContact CB-CB 4.36Å; R135-K138 HydrophobicContact CB-CD 4.49Å; R135-K138 HydrophobicContact CB-CG 4.24Å; R135-K138 WeakPolarHBondContact O-CA 3.48Å; R135-K138 WeakPolarHBondContact O-CB 3.44Å; R135-K138 PolarHBondContact O-N 3.39Å; A136-K138 VanDerWaalsContact C-N 3.31Å; A136-K138 PolarHBondContact O-N 3.41Å; K138-L142 WeakPolarHBondContact O-CB 3.31Å; K138-L142 PolarHBondContact O-N 3.18Å; K138-L142 VanDerWaalsContact O-N 3.07Å
139I97.2Very high95.6Very high1 Ų198.8 Ų98.81%0.00546%0.463CS..Hα-helixtrans-65.9-47.5172.4-63.1162.7000109.1P133 R135 A136 K141 L142 F143 V151 V155 I176P133-I139 HydrophobicContact CB-CG1 4.19Å; P133-I139 HydrophobicContact CG-CG1 3.93Å; P133-I139 WeakPolarHBondContact O-CG1 3.04Å; R135-I139 PolarHBondContact O-N 3.07Å; R135-I139 VanDerWaalsContact O-N 3.07Å; A136-I139 PolarHBondContact O-N 2.95Å; I139-K141 VanDerWaalsContact C-N 3.35Å; I139-K141 PolarHBondContact O-N 2.68Å; I139-L142 PolarHBondContact O-N 3.19Å; I139-L142 VanDerWaalsContact O-N 3.12Å; I139-F143 HydrophobicContact CG2-CD2 4.01Å; I139-F143 HydrophobicContact CG2-CE2 4.34Å; I139-F143 WeakPolarHBondContact O-CD2 3.39Å; I139-F143 PolarHBondContact O-N 2.99Å; I139-F143 VanDerWaalsContact O-N 3.15Å; I139-V151 HydrophobicContact CB-CB 4.48Å; I139-V151 HydrophobicContact CG2-CB 4.13Å; I139-V151 HydrophobicContact CG2-CG1 4.45Å; I139-V155 HydrophobicContact CD1-CG2 3.95Å; I139-I176 HydrophobicContact CD1-CD1 4.26Å; I139-I176 HydrophobicContact CD1-CG1 4.17Å; I139-I176 HydrophobicContact CD1-CG2 4.04Å
140R97Very high95.8Very high80 Ų8090 Ų9030%0.30243%0.434SS..Hα-helixtrans-55.7-47.7175.2-68.1-175.1173.5160.7-5.7112.6A136 L142 F143 N144 L145 S146 K147 V151A136-R140 PolarHBondContact O-N 3.03Å; R140-L142 VanDerWaalsContact C-N 3.29Å; R140-L142 PolarHBondContact O-N 3.01Å; R140-F143 PolarHBondContact O-N 3.15Å; R140-N144 WeakPolarHBondContact O-CA 3.49Å; R140-N144 PolarHBondContact O-N 3.22Å; R140-L145 HydrophobicContact CB-CB 4.27Å; R140-L145 HydrophobicContact CG-CB 4.17Å; R140-L145 PolarHBondContact O-N 3.38Å; R140-S146 PolarHBondContact NE-O 2.93Å; R140-K147 PolarHBondContact NH2-O 3.19Å; R140-V151 HydrophobicContact CG-CG1 3.42Å; R140-V151 VanDerWaalsContact CG-CG1 3.42Å
141K97.5Very high96.2Very high176 Ų17681.1 Ų81.177%0.76540%0.4SS*.Hα-helixtrans-62.5-34.5178.1-175.3171.2-178.2172.70112.9S137 I139 N144S137-K141 PolarHBondContact O-N 3.46Å; I139-K141 VanDerWaalsContact C-N 3.35Å; I139-K141 PolarHBondContact O-N 2.68Å; K141-N144 PolarHBondContact O-OD1 2.8Å
142L96.4Very high96.3Very high93 Ų9382.8 Ų82.849%0.48740%0.398SS..Hα-helixtrans-71-39.9-178.9-178.264.9000112.1P133 K138 I139 R140 I156P133-L142 HydrophobicContact CG-CB 4.31Å; P133-L142 HydrophobicContact CG-CD2 3.71Å; K138-L142 WeakPolarHBondContact O-CB 3.31Å; K138-L142 PolarHBondContact O-N 3.18Å; K138-L142 VanDerWaalsContact O-N 3.07Å; I139-L142 PolarHBondContact O-N 3.19Å; I139-L142 VanDerWaalsContact O-N 3.12Å; R140-L142 VanDerWaalsContact C-N 3.29Å; R140-L142 PolarHBondContact O-N 3.01Å; L142-I156 HydrophobicContact CD2-CD1 3.79Å
143F96.9Very high96.4Very high86 Ų8689.9 Ų89.938%0.37742%0.42SS..THydrogen-bonded Turntrans-10311.9-175.7-66.8-73.3000113.4I139 R140 L145 Y154 I156I139-F143 HydrophobicContact CG2-CD2 4.01Å; I139-F143 HydrophobicContact CG2-CE2 4.34Å; I139-F143 WeakPolarHBondContact O-CD2 3.39Å; I139-F143 PolarHBondContact O-N 2.99Å; I139-F143 VanDerWaalsContact O-N 3.15Å; R140-F143 PolarHBondContact O-N 3.15Å; F143-L145 HydrophobicContact CB-CD1 4.11Å; F143-L145 HydrophobicContact CB-CD2 4Å; F143-L145 HydrophobicContact CB-CG 3.73Å; F143-L145 PolarHBondContact O-N 3.07Å; F143-Y154 WeakPolarHBondContact CE2-O 3.44Å; F143-Y154 HydrophobicContact CG-CD1 4.38Å; F143-I156 HydrophobicContact CE2-CG1 4.36Å; F143-I156 HydrophobicContact CZ-CD1 4.24Å; F143-I156 HydrophobicContact CZ-CG1 3.99Å
144N96.9Very high96.3Very high149 Ų14993 Ų9380%0.79743%0.429SS*.THydrogen-bonded Turntrans48.440.6-176-64.1-27.8000114R140 K141R140-N144 WeakPolarHBondContact O-CA 3.49Å; R140-N144 PolarHBondContact O-N 3.22Å; K141-N144 PolarHBondContact O-OD1 2.8Å
145L96.5Very high96.2Very high28 Ų2888.1 Ų88.115%0.14741%0.409CS..  trans-79.9148-177.5-56.2173.8000111.9R140 F143 D149 V151 Y154R140-L145 HydrophobicContact CB-CB 4.27Å; R140-L145 HydrophobicContact CG-CB 4.17Å; R140-L145 PolarHBondContact O-N 3.38Å; F143-L145 HydrophobicContact CB-CD1 4.11Å; F143-L145 HydrophobicContact CB-CD2 4Å; F143-L145 HydrophobicContact CB-CG 3.73Å; F143-L145 PolarHBondContact O-N 3.07Å; L145-D149 HydrophobicContact CB-CB 4.02Å; L145-D149 HydrophobicContact CD2-CB 4.37Å; L145-V151 HydrophobicContact CD1-CG1 4.32Å; L145-Y154 HydrophobicContact CD1-CD1 4.35Å; L145-Y154 HydrophobicContact CD1-CD2 3.5Å; L145-Y154 HydrophobicContact CD1-CE2 3.99Å; L145-Y154 HydrophobicContact CD1-CG 3.72Å; L145-Y154 HydrophobicContact CD2-CD1 4.15Å; L145-Y154 HydrophobicContact CD2-CD2 4.15Å; L145-Y154 HydrophobicContact CD2-CE1 3.87Å; L145-Y154 HydrophobicContact CD2-CE2 3.88Å; L145-Y154 HydrophobicContact CD2-CG 4.29Å; L145-Y154 HydrophobicContact CG-CD2 4.49Å
146S96Very high96Very high48 Ų4886.7 Ų86.734%0.33641%0.409SS..  trans-71.517917074.90000111.7R140 E148 D149R140-S146 PolarHBondContact NE-O 2.93Å; S146-E148 VanDerWaalsContact C-N 3.31Å; S146-E148 VanDerWaalsContact CB-OE2 3.23Å; S146-E148 WeakPolarHBondContact CB-OE2 3.33Å; S146-E148 PolarHBondContact OG-N 3.07Å; S146-E148 PolarHBondContact OG-OE2 2.97Å; S146-D149 WeakPolarHBondContact CB-OD2 3.36Å; S146-D149 PolarHBondContact N-OD2 3.44Å; S146-D149 PolarHBondContact OG-N 2.96Å; S146-D149 PolarHBondContact OG-OD2 3.44Å
147K93.4Very high95.9Very high163 Ų16393.5 Ų93.571%0.70943%0.433SS*.SBendtrans-79.2-23.3177.8-73.8177.6-176.2166.80111.7R140R140-K147 PolarHBondContact NH2-O 3.19Å
148E94Very high95.5Very high158 Ų15894.1 Ų94.174%0.73843%0.425SS*.SBendtrans-75.2-30.9-177.9-62.763.1-138.200110.3S146S146-E148 VanDerWaalsContact C-N 3.31Å; S146-E148 VanDerWaalsContact CB-OE2 3.23Å; S146-E148 WeakPolarHBondContact CB-OE2 3.33Å; S146-E148 PolarHBondContact OG-N 3.07Å; S146-E148 PolarHBondContact OG-OE2 2.97Å
149D95.2Very high95Very high59 Ų5991.7 Ų91.732%0.31642%0.422SS..SBendtrans-67.6135.7-179.7-61.7-44000113.8L145 S146 V151L145-D149 HydrophobicContact CB-CB 4.02Å; L145-D149 HydrophobicContact CD2-CB 4.37Å; S146-D149 WeakPolarHBondContact CB-OD2 3.36Å; S146-D149 PolarHBondContact N-OD2 3.44Å; S146-D149 PolarHBondContact OG-N 2.96Å; S146-D149 PolarHBondContact OG-OD2 3.44Å; D149-V151 PolarHBondContact O-N 3Å
150D95.5Very high94.4Very high48 Ų4893.6 Ų93.626%0.25743%0.433SS..  trans-79.4101.8174.2-171.9-0.3000111.7R152 K153 Y154D150-R152 PolarHBondContact O-N 2.82Å; D150-R152 VanDerWaalsContact OD1-CB 3.27Å; D150-R152 WeakPolarHBondContact OD1-CB 3.1Å; D150-R152 VanDerWaalsContact OD1-CG 3.28Å; D150-R152 WeakPolarHBondContact OD1-CG 3.36Å; D150-R152 PolarHBondContact OD1-N 3.21Å; D150-R152 IonicContact OD1-NE 2.71Å; D150-R152 PolarHBondContact OD1-NE 3.26Å; D150-R152 VanDerWaalsContact OD1-NE 3.1Å; D150-R152 IonicContact OD2-CZ 2.73Å; D150-R152 IonicContact OD2-NE 3.1Å; D150-R152 PolarHBondContact OD2-NE 3.38Å; D150-R152 IonicContact OD2-NH2 3.01Å; D150-R152 PolarHBondContact OD2-NH2 3.29Å; D150-K153 PolarHBondContact O-N 3.21Å; D150-Y154 WeakPolarHBondContact O-CD2 3.4Å
151V96.6Very high93.2Very high1 Ų192.7 Ų92.71%0.00645%0.449CS..THydrogen-bonded Turntrans-57.4-16.7177-61.10000114.5A136 I139 R140 L145 D149 K153 Y154 I176 L179A136-V151 HydrophobicContact CB-CG2 4.18Å; I139-V151 HydrophobicContact CB-CB 4.48Å; I139-V151 HydrophobicContact CG2-CB 4.13Å; I139-V151 HydrophobicContact CG2-CG1 4.45Å; R140-V151 HydrophobicContact CG-CG1 3.42Å; R140-V151 VanDerWaalsContact CG-CG1 3.42Å; L145-V151 HydrophobicContact CD1-CG1 4.32Å; D149-V151 PolarHBondContact O-N 3Å; V151-K153 VanDerWaalsContact C-N 3.26Å; V151-K153 PolarHBondContact O-N 3.27Å; V151-Y154 PolarHBondContact O-N 3.39Å; V151-I176 HydrophobicContact CG2-CD1 4.09Å; V151-I176 HydrophobicContact CG2-CG2 4.44Å; V151-L179 HydrophobicContact CG2-CD1 3.61Å
152R95.3Very high91.8Very high162 Ų16288.3 Ų88.361%0.61144%0.437SS*.THydrogen-bonded Turntrans-63.7-30.9179.2-68.7179.7-69.7176.21.9113.1D150 Y154 I176 L179D150-R152 PolarHBondContact O-N 2.82Å; D150-R152 VanDerWaalsContact OD1-CB 3.27Å; D150-R152 WeakPolarHBondContact OD1-CB 3.1Å; D150-R152 VanDerWaalsContact OD1-CG 3.28Å; D150-R152 WeakPolarHBondContact OD1-CG 3.36Å; D150-R152 PolarHBondContact OD1-N 3.21Å; D150-R152 IonicContact OD1-NE 2.71Å; D150-R152 PolarHBondContact OD1-NE 3.26Å; D150-R152 VanDerWaalsContact OD1-NE 3.1Å; D150-R152 IonicContact OD2-CZ 2.73Å; D150-R152 IonicContact OD2-NE 3.1Å; D150-R152 PolarHBondContact OD2-NE 3.38Å; D150-R152 IonicContact OD2-NH2 3.01Å; D150-R152 PolarHBondContact OD2-NH2 3.29Å; R152-Y154 VanDerWaalsContact C-N 3.33Å; R152-I176 HydrophobicContact CB-CD1 4.35Å; R152-I176 HydrophobicContact CG-CD1 3.87Å; R152-L179 HydrophobicContact CG-CD2 3.85Å
153K95Very high90.3Very high178 Ų17889 Ų8977%0.77445%0.447SS*.THydrogen-bonded Turntrans-72.8-28.9178.8-62.6-178179.9-179.70112.2D150 V151D150-K153 PolarHBondContact O-N 3.21Å; V151-K153 VanDerWaalsContact C-N 3.26Å; V151-K153 PolarHBondContact O-N 3.27Å
154Y95.8Very high88.8Confident94 Ų9494.1 Ų94.137%0.36947%0.469SS..THydrogen-bonded Turntrans-97.813.1-173.1-57.6-89000113.7F143 L145 D150 V151 R152 I156F143-Y154 WeakPolarHBondContact CE2-O 3.44Å; F143-Y154 HydrophobicContact CG-CD1 4.38Å; L145-Y154 HydrophobicContact CD1-CD1 4.35Å; L145-Y154 HydrophobicContact CD1-CD2 3.5Å; L145-Y154 HydrophobicContact CD1-CE2 3.99Å; L145-Y154 HydrophobicContact CD1-CG 3.72Å; L145-Y154 HydrophobicContact CD2-CD1 4.15Å; L145-Y154 HydrophobicContact CD2-CD2 4.15Å; L145-Y154 HydrophobicContact CD2-CE1 3.87Å; L145-Y154 HydrophobicContact CD2-CE2 3.88Å; L145-Y154 HydrophobicContact CD2-CG 4.29Å; L145-Y154 HydrophobicContact CG-CD2 4.49Å; D150-Y154 WeakPolarHBondContact O-CD2 3.4Å; V151-Y154 PolarHBondContact O-N 3.39Å; R152-Y154 VanDerWaalsContact C-N 3.33Å; Y154-I156 PolarHBondContact O-N 3.18Å
155V95.1Very high87.4Confident15 Ų1592.3 Ų92.39%0.09146%0.459CS..PPolyproline II helixtrans-72121176.4174.60000109.8I139 R157 A173 P174 I176I139-V155 HydrophobicContact CD1-CG2 3.95Å; V155-R157 PolarHBondContact O-N 3.37Å; V155-R157 VanDerWaalsContact O-N 3.13Å; V155-A173 HydrophobicContact CG1-CB 3.95Å; V155-P174 HydrophobicContact CG1-CG 3.83Å; V155-I176 HydrophobicContact CG2-CD1 3.27Å; V155-I176 HydrophobicContact CG2-CG1 3.52Å
156I94.3Very high86.3Confident81 Ų8194.7 Ų94.742%0.41549%0.49SS..PPolyproline II helixtrans-61.5117.7171.5-63.3168.6000109L142 F143 Y154L142-I156 HydrophobicContact CD2-CD1 3.79Å; F143-I156 HydrophobicContact CE2-CG1 4.36Å; F143-I156 HydrophobicContact CZ-CD1 4.24Å; F143-I156 HydrophobicContact CZ-CG1 3.99Å; Y154-I156 PolarHBondContact O-N 3.18Å
157R93.5Very high85.2Confident151 Ų15199.9 Ų99.957%0.5751%0.507SS*.PPolyproline II helixtrans-92.8147.8174.5-57.4-170.6170.1-148.70.2109.3V155 E171 A173V155-R157 PolarHBondContact O-N 3.37Å; V155-R157 VanDerWaalsContact O-N 3.13Å; R157-E171 HydrophobicContact CB-CB 4.29Å; R157-E171 WeakPolarHBondContact CD-OE2 3.44Å; R157-E171 IonicContact NH1-OE2 2.86Å; R157-A173 HydrophobicContact CG-CB 4.16Å
158R89.9Confident84.5Confident82 Ų82101.2 Ų101.231%0.30951%0.513SS..EExtended strand (participates in β ladder)trans-113.3127.2176.8-169.3-174.369.8-165.31.5109.5V160 E171 R172R158-V160 PolarHBondContact O-N 3.1Å; R158-E171 CarbonylContact O-C 3.59Å; R158-E171 WeakPolarHBondContact O-CA 3.27Å; R158-R172 PolarHBondContact N-O 3.16Å; R158-R172 PolarHBondContact O-N 2.96Å
159P88Confident83.9Confident73 Ų73100.2 Ų100.247%0.47451%0.508SS..EExtended strand (participates in β ladder)trans-63.2135.7167.627.5-32.9000109.4R170P159-R170 CarbonylContact C-O 3.55Å; P159-R170 WeakPolarHBondContact CA-O 3.28Å
160V84.3Confident83.5Confident41 Ų41105 Ų10525%0.24852%0.522CS..EExtended strand (participates in β ladder)trans-130.7134.6174.1-89.20000108.9R158 R170 R172R158-V160 PolarHBondContact O-N 3.1Å; V160-R170 HydrophobicContact CG2-CB 4.04Å; V160-R170 VanDerWaalsContact CG2-O 3.3Å; V160-R170 WeakPolarHBondContact CG2-O 3.41Å; V160-R170 PolarHBondContact N-O 3.13Å; V160-R170 PolarHBondContact O-N 3.39Å; V160-R170 VanDerWaalsContact O-O 3.1Å; V160-R172 HydrophobicContact CB-CG 4.39Å; V160-R172 HydrophobicContact CG1-CG 4.27Å; V160-R172 HydrophobicContact CG2-CB 4.13Å; V160-R172 HydrophobicContact CG2-CG 3.26Å
161G72Confident83.2Confident61 Ų61108.1 Ų108.163%0.62954%0.535SS*.SBendtrans107135.7-172.600000110.6
162T67.1Low83Confident84 Ų84115.1 Ų115.152%0.51556%0.561SS.*  trans-81.4139.2163.337.80000107.7K164T162-K164 PolarHBondContact O-N 2.84Å
163P65.5Low82.9Confident107 Ų107109.9 Ų109.970%0.69555%0.552SS**G310 helixtrans-56.4-18.9173.7-24.232.9000113.5D165P163-D165 VanDerWaalsContact C-N 3.29Å; P163-D165 PolarHBondContact O-N 2.88Å
164K65.4Low83Confident193 Ų193103.7 Ų103.784%0.83953%0.531SS*.G310 helixtrans-63.3-22.6-174.4-71.5-171172.3-173.20115.4T162 G166T162-K164 PolarHBondContact O-N 2.84Å; K164-G166 PolarHBondContact O-N 3.48Å
165D67.4Low83Confident111 Ų111107.5 Ų107.559%0.59455%0.549SS*.G310 helixtrans-93.912.7-173.1-72.9-8.9000114.2P163 K167P163-D165 VanDerWaalsContact C-N 3.29Å; P163-D165 PolarHBondContact O-N 2.88Å; D165-K167 PolarHBondContact O-N 2.74Å
166G73.3Confident83.1Confident78 Ų78108 Ų10880%0.80455%0.551SS**SBendtrans64.22.5-177.400000114.6K164K164-G166 PolarHBondContact O-N 3.48Å
167K73.4Confident83.3Confident158 Ų158109.2 Ų109.269%0.68756%0.555SS**PPolyproline II helixtrans-88132.6176.8-67.1174.1-172.5168.30109.3D165 Q169D165-K167 PolarHBondContact O-N 2.74Å; K167-Q169 PolarHBondContact O-N 3.19Å
168K77.8Confident83.4Confident191 Ų191110.6 Ų110.683%0.8356%0.56SS**PPolyproline II helixtrans-49.5133.7174.6-67.1-176.2178.9-1780110.4R170K168-R170 WeakPolarHBondContact O-CG 3.06Å; K168-R170 PolarHBondContact O-N 3.12Å; K168-R170 VanDerWaalsContact O-N 3.17Å
169Q81.1Confident83.7Confident136 Ų136108.8 Ų108.864%0.63656%0.556SS**PPolyproline II helixtrans-57.9119.9176.2-170.8171.90.100109.3K167K167-Q169 PolarHBondContact O-N 3.19Å
170R86.2Confident84.1Confident160 Ų160111 Ų11160%0.60456%0.563SS**EExtended strand (participates in β ladder)trans-102.6149.7-179.3-69.3-179.2178.3-177.2-4.1109.4P159 V160 K168P159-R170 CarbonylContact C-O 3.55Å; P159-R170 WeakPolarHBondContact CA-O 3.28Å; V160-R170 HydrophobicContact CG2-CB 4.04Å; V160-R170 VanDerWaalsContact CG2-O 3.3Å; V160-R170 WeakPolarHBondContact CG2-O 3.41Å; V160-R170 PolarHBondContact N-O 3.13Å; V160-R170 PolarHBondContact O-N 3.39Å; V160-R170 VanDerWaalsContact O-O 3.1Å; K168-R170 WeakPolarHBondContact O-CG 3.06Å; K168-R170 PolarHBondContact O-N 3.12Å; K168-R170 VanDerWaalsContact O-N 3.17Å
171E90.3Very high84.6Confident113 Ų113111.1 Ų111.153%0.52856%0.564SS.*EExtended strand (participates in β ladder)trans-109.8145.5168.5-66.7-173.5164.800110.7R157 R158R157-E171 HydrophobicContact CB-CB 4.29Å; R157-E171 WeakPolarHBondContact CD-OE2 3.44Å; R157-E171 IonicContact NH1-OE2 2.86Å; R158-E171 CarbonylContact O-C 3.59Å; R158-E171 WeakPolarHBondContact O-CA 3.27Å
172R92Very high85.8Confident148 Ų148113.2 Ų113.256%0.55857%0.566SS**EExtended strand (participates in β ladder)trans-121.9130.6173.7-67-75-171-1496.5109.8R158 V160R158-R172 PolarHBondContact N-O 3.16Å; R158-R172 PolarHBondContact O-N 2.96Å; V160-R172 HydrophobicContact CB-CG 4.39Å; V160-R172 HydrophobicContact CG1-CG 4.27Å; V160-R172 HydrophobicContact CG2-CB 4.13Å; V160-R172 HydrophobicContact CG2-CG 3.26Å
173A94.1Very high87.3Confident52 Ų52114.3 Ų114.343%0.4357%0.566SS.*  trans-111.2141.1172.700000110V155 R157V155-A173 HydrophobicContact CG1-CB 3.95Å; R157-A173 HydrophobicContact CG-CB 4.16Å
174P96.3Very high88.8Confident49 Ų49112.2 Ų112.232%0.31855%0.55SS.*PPolyproline II helixtrans-68.3140.4170.328.8-35.4000111.2K134 V155 I176K134-P174 HydrophobicContact CB-CB 4.35Å; K134-P174 HydrophobicContact CD-CB 4.48Å; K134-P174 HydrophobicContact CG-CB 4.16Å; V155-P174 HydrophobicContact CG1-CG 3.83Å; P174-I176 PolarHBondContact O-N 2.93Å
175K96.9Very high90.3Very high174 Ų174107 Ų10776%0.75753%0.531SS*.PPolyproline II helixtrans-62.1117.9166.9-178.7175.6-178.9174.10109.7K134 Q177K134-K175 WeakPolarHBondContact CE-O 3.45Å; K134-K175 WeakPolarHBondContact CG-O 3.43Å; K175-Q177 PolarHBondContact O-N 3.34Å
176I97.2Very high91.8Very high24 Ų24107.4 Ų107.412%0.12353%0.53CS..PPolyproline II helixtrans-65.5127.8-177.3-52.9175.9000110K134 A136 I139 V151 R152 V155 P174 L179K134-I176 WeakPolarHBondContact O-CA 3.23Å; A136-I176 HydrophobicContact CB-CG2 3.89Å; I139-I176 HydrophobicContact CD1-CD1 4.26Å; I139-I176 HydrophobicContact CD1-CG1 4.17Å; I139-I176 HydrophobicContact CD1-CG2 4.04Å; V151-I176 HydrophobicContact CG2-CD1 4.09Å; V151-I176 HydrophobicContact CG2-CG2 4.44Å; R152-I176 HydrophobicContact CB-CD1 4.35Å; R152-I176 HydrophobicContact CG-CD1 3.87Å; V155-I176 HydrophobicContact CG2-CD1 3.27Å; V155-I176 HydrophobicContact CG2-CG1 3.52Å; P174-I176 PolarHBondContact O-N 2.93Å; I176-L179 HydrophobicContact CB-CB 4.47Å; I176-L179 HydrophobicContact CG2-CB 4.14Å
177Q97.5Very high93Very high108 Ų108110.9 Ų110.951%0.50552%0.518SS..BIsolated β-bridgetrans-96.1146176.9-166.561.111.700111.3K134 A136 K175 L179K134-Q177 PolarHBondContact O-N 2.89Å; A136-Q177 PolarHBondContact N-O 3.31Å; K175-Q177 PolarHBondContact O-N 3.34Å; Q177-L179 PolarHBondContact O-N 2.97Å
178R96.1Very high94.1Very high180 Ų180109.8 Ų109.868%0.67951%0.514SS*.THydrogen-bonded Turntrans61.429.2-176.7-54.2-174.6174.8-118.5-1113.6R135R135-R178 HydrophobicContact CG-CG 4.45Å
179L96.2Very high95.1Very high43 Ų43108.8 Ų108.823%0.22551%0.505CS..  trans-77.8132.2167.3-176.164000109.2V151 R152 I176 Q177 T181V151-L179 HydrophobicContact CG2-CD1 3.61Å; R152-L179 HydrophobicContact CG-CD2 3.85Å; I176-L179 HydrophobicContact CB-CB 4.47Å; I176-L179 HydrophobicContact CG2-CB 4.14Å; Q177-L179 PolarHBondContact O-N 2.97Å; L179-T181 HydrophobicContact CB-CG2 4.48Å; L179-T181 HydrophobicContact CD2-CG2 4.01Å; L179-T181 HydrophobicContact CG-CG2 4.05Å; L179-T181 PolarHBondContact O-N 3.29Å
180I95.8Very high95.9Very high120 Ų120107.8 Ų107.862%0.61550%0.5SS*.  trans-81.6110.2171.8-56.9-57.2000107.4L185I180-L185 HydrophobicContact CG2-CD1 4.18Å; I180-L185 HydrophobicContact CG2-CD2 3.72Å; I180-L185 HydrophobicContact CG2-CG 3.82Å
181T95.9Very high96.5Very high43 Ų43109 Ų10926%0.26450%0.504SS..  trans-106.9159.317863.80000110.8L179 Q183 V184 L185L179-T181 HydrophobicContact CB-CG2 4.48Å; L179-T181 HydrophobicContact CD2-CG2 4.01Å; L179-T181 HydrophobicContact CG-CG2 4.05Å; L179-T181 PolarHBondContact O-N 3.29Å; T181-Q183 PolarHBondContact O-N 3.05Å; T181-Q183 VanDerWaalsContact O-N 3.16Å; T181-V184 WeakPolarHBondContact O-CB 3.44Å; T181-V184 PolarHBondContact O-N 3.42Å; T181-V184 WeakPolarHBondContact OG1-CG2 3.4Å; T181-V184 PolarHBondContact OG1-N 3.37Å; T181-L185 PolarHBondContact O-N 3.16Å
182P97.1Very high96.9Very high105 Ų105107.9 Ų107.968%0.68250%0.502SS*.Hα-helixtrans-52.4-37.5174.9-28.735.9000113L185 Q186P182-L185 PolarHBondContact O-N 2.71Å; P182-Q186 WeakPolarHBondContact O-CB 3.45Å; P182-Q186 PolarHBondContact O-N 2.86Å
183Q97.3Very high97.2Very high108 Ų108102.9 Ų102.951%0.50549%0.492SS..Hα-helixtrans-64.9-39.6175.7-165.4-176.328.300112.6T181 L185 Q186 R187T181-Q183 PolarHBondContact O-N 3.05Å; T181-Q183 VanDerWaalsContact O-N 3.16Å; Q183-L185 VanDerWaalsContact C-N 3.34Å; Q183-Q186 PolarHBondContact O-N 3.17Å; Q183-R187 VanDerWaalsContact NE2-NH2 3.12Å; Q183-R187 WeakPolarHBondContact O-CB 3.3Å; Q183-R187 VanDerWaalsContact O-CG 3.3Å; Q183-R187 WeakPolarHBondContact O-CG 3.28Å; Q183-R187 PolarHBondContact O-N 3.24Å
184V97.1Very high97.4Very high62 Ų62103.4 Ų103.438%0.37649%0.487SS..Hα-helixtrans-64.3-41.8174.8170.80000110.5T181 R187 K188T181-V184 WeakPolarHBondContact O-CB 3.44Å; T181-V184 PolarHBondContact O-N 3.42Å; T181-V184 WeakPolarHBondContact OG1-CG2 3.4Å; T181-V184 PolarHBondContact OG1-N 3.37Å; V184-R187 PolarHBondContact O-N 2.94Å; V184-K188 PolarHBondContact O-N 3.36Å
185L97.6Very high97.4Very high83 Ų83108.5 Ų108.544%0.43551%0.505SS..Hα-helixtrans-65.3-40.9176-65.7176.8000112I180 T181 P182 Q183 K188 R189I180-L185 HydrophobicContact CG2-CD1 4.18Å; I180-L185 HydrophobicContact CG2-CD2 3.72Å; I180-L185 HydrophobicContact CG2-CG 3.82Å; T181-L185 PolarHBondContact O-N 3.16Å; P182-L185 PolarHBondContact O-N 2.71Å; Q183-L185 VanDerWaalsContact C-N 3.34Å; L185-K188 PolarHBondContact O-N 2.99Å; L185-R189 WeakPolarHBondContact O-CG 3.44Å; L185-R189 PolarHBondContact O-N 3.11Å
186Q98.2Very high97.5Very high121 Ų121109 Ų10957%0.56550%0.502SS*.Hα-helixtrans-62.3-46.8174.2-171.3-173.723.300111.5P182 Q183 K188 R189 H190P182-Q186 WeakPolarHBondContact O-CB 3.45Å; P182-Q186 PolarHBondContact O-N 2.86Å; Q183-Q186 PolarHBondContact O-N 3.17Å; Q186-K188 VanDerWaalsContact C-N 3.27Å; Q186-K188 PolarHBondContact O-N 3.26Å; Q186-R189 PolarHBondContact O-N 3.37Å; Q186-R189 VanDerWaalsContact O-N 3.16Å; Q186-H190 WeakPolarHBondContact O-CB 3.39Å; Q186-H190 PolarHBondContact O-N 2.95Å
187R98.3Very high97.5Very high150 Ų150113.6 Ų113.657%0.56652%0.522SS*.Hα-helixtrans-59.4-38175.1-72.7174.6-174.1179.62.8112Q183 V184 R191Q183-R187 VanDerWaalsContact NE2-NH2 3.12Å; Q183-R187 WeakPolarHBondContact O-CB 3.3Å; Q183-R187 VanDerWaalsContact O-CG 3.3Å; Q183-R187 WeakPolarHBondContact O-CG 3.28Å; Q183-R187 PolarHBondContact O-N 3.24Å; V184-R187 PolarHBondContact O-N 2.94Å; R187-R191 WeakPolarHBondContact O-CB 3.33Å; R187-R191 PolarHBondContact O-N 3.31Å
188K98.3Very high97.5Very high135 Ų135116.9 Ų116.959%0.58753%0.53SS*.Hα-helixtrans-64.3-48174.2-172-178179.3-174.40111.1V184 L185 Q186 R191 L192V184-K188 PolarHBondContact O-N 3.36Å; L185-K188 PolarHBondContact O-N 2.99Å; Q186-K188 VanDerWaalsContact C-N 3.27Å; Q186-K188 PolarHBondContact O-N 3.26Å; K188-R191 PolarHBondContact O-N 2.93Å; K188-L192 WeakPolarHBondContact O-CG 3.43Å; K188-L192 PolarHBondContact O-N 3.05Å; K188-L192 VanDerWaalsContact O-N 3.12Å
189R98.4Very high97.6Very high171 Ų171111.2 Ų111.265%0.64552%0.522SS*.Hα-helixtrans-58.5-48.4176.3-75.2-175.3-77.6171.7-4.6111.8L185 Q186 R191 L192 A193L185-R189 WeakPolarHBondContact O-CG 3.44Å; L185-R189 PolarHBondContact O-N 3.11Å; Q186-R189 PolarHBondContact O-N 3.37Å; Q186-R189 VanDerWaalsContact O-N 3.16Å; R189-R191 PolarHBondContact O-N 3.39Å; R189-L192 PolarHBondContact O-N 3.25Å; R189-A193 PolarHBondContact O-N 2.85Å
190H98.2Very high97.6Very high114 Ų114113.5 Ų113.553%0.52853%0.533SS..Hα-helixtrans-57.7-45.6176.7-177.8-29.3000111.9Q186 L192 A193 L194Q186-H190 WeakPolarHBondContact O-CB 3.39Å; Q186-H190 PolarHBondContact O-N 2.95Å; H190-L192 VanDerWaalsContact C-N 3.3Å; H190-L192 PolarHBondContact O-N 3.08Å; H190-A193 WeakPolarHBondContact O-CB 3.44Å; H190-A193 PolarHBondContact O-N 3.4Å; H190-L194 WeakPolarHBondContact CE1-CD1 3.49Å; H190-L194 WeakPolarHBondContact ND1-CG 3.46Å; H190-L194 PolarHBondContact O-N 3.37Å
191R98.2Very high97.7Very high185 Ų185113.6 Ų113.670%0.69853%0.529SS*.Hα-helixtrans-59.7-42.3178.2-172.4-172.8-56.9176.10.3111.8R187 K188 R189 K195R187-R191 WeakPolarHBondContact O-CB 3.33Å; R187-R191 PolarHBondContact O-N 3.31Å; K188-R191 PolarHBondContact O-N 2.93Å; R189-R191 PolarHBondContact O-N 3.39Å; R191-K195 PolarHBondContact O-N 2.97Å; R191-K195 VanDerWaalsContact O-N 3.09Å
192L97.9Very high97.8Very high90 Ų90120.3 Ų120.347%0.47155%0.55SS..Hα-helixtrans-67-39.4176.8-67.4173.7000111.7K188 R189 H190 K195 R196K188-L192 WeakPolarHBondContact O-CG 3.43Å; K188-L192 PolarHBondContact O-N 3.05Å; K188-L192 VanDerWaalsContact O-N 3.12Å; R189-L192 PolarHBondContact O-N 3.25Å; H190-L192 VanDerWaalsContact C-N 3.3Å; H190-L192 PolarHBondContact O-N 3.08Å; L192-K195 PolarHBondContact O-N 3.47Å; L192-R196 WeakPolarHBondContact O-CG 3.48Å; L192-R196 PolarHBondContact O-N 2.99Å
193A98.2Very high97.8Very high44 Ų44125.1 Ų125.136%0.36455%0.554SS.*Hα-helixtrans-60.7-47.1175.200000111.7R189 H190 K195 R196 Q197R189-A193 PolarHBondContact O-N 2.85Å; H190-A193 WeakPolarHBondContact O-CB 3.44Å; H190-A193 PolarHBondContact O-N 3.4Å; A193-K195 VanDerWaalsContact C-N 3.31Å; A193-K195 PolarHBondContact O-N 3.14Å; A193-R196 WeakPolarHBondContact O-CB 3.43Å; A193-R196 PolarHBondContact O-N 3.37Å; A193-R196 VanDerWaalsContact O-N 3.14Å; A193-Q197 WeakPolarHBondContact O-CG 3.3Å; A193-Q197 PolarHBondContact O-N 2.94Å
194L98.1Very high97.8Very high63 Ų63125.9 Ų125.933%0.3356%0.558SS.*Hα-helixtrans-59.8-40.5174.5-72.7178.4000112.3H190 R196 Q197 R198H190-L194 WeakPolarHBondContact CE1-CD1 3.49Å; H190-L194 WeakPolarHBondContact ND1-CG 3.46Å; H190-L194 PolarHBondContact O-N 3.37Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3.25Å; L194-Q197 PolarHBondContact O-N 2.88Å; L194-R198 VanDerWaalsContact O-CG 3.3Å; L194-R198 WeakPolarHBondContact O-CG 3.4Å; L194-R198 PolarHBondContact O-N 3.2Å
195K98Very high97.8Very high156 Ų156128 Ų12868%0.67856%0.563SS**Hα-helixtrans-61.6-41.9176.7-173.6178.3178.5-178.40111.1R191 L192 A193 A199R191-K195 PolarHBondContact O-N 2.97Å; R191-K195 VanDerWaalsContact O-N 3.09Å; L192-K195 PolarHBondContact O-N 3.47Å; A193-K195 VanDerWaalsContact C-N 3.31Å; A193-K195 PolarHBondContact O-N 3.14Å; K195-A199 PolarHBondContact O-N 3.31Å
196R97.8Very high97.7Very high185 Ų185126.9 Ų126.970%0.69857%0.567SS**Hα-helixtrans-66.2-46.9175.8-71.4177.9179.1177.4-2111.8L192 A193 L194 R198 A199 I200L192-R196 WeakPolarHBondContact O-CG 3.48Å; L192-R196 PolarHBondContact O-N 2.99Å; A193-R196 WeakPolarHBondContact O-CB 3.43Å; A193-R196 PolarHBondContact O-N 3.37Å; A193-R196 VanDerWaalsContact O-N 3.14Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3.25Å; R196-R198 VanDerWaalsContact C-N 3.32Å; R196-R198 PolarHBondContact O-N 3.09Å; R196-A199 WeakPolarHBondContact O-CB 3.44Å; R196-A199 PolarHBondContact O-N 3.41Å; R196-I200 WeakPolarHBondContact O-CG1 3.3Å; R196-I200 PolarHBondContact O-N 2.92Å
197Q97.7Very high97.7Very high119 Ų119124 Ų12456%0.55656%0.563SS**Hα-helixtrans-57.6-43.1177.2-75.4175.9-1600112.1A193 L194 A199 I200 K201A193-Q197 WeakPolarHBondContact O-CG 3.3Å; A193-Q197 PolarHBondContact O-N 2.94Å; L194-Q197 PolarHBondContact O-N 2.88Å; Q197-A199 VanDerWaalsContact C-N 3.3Å; Q197-A199 PolarHBondContact O-N 2.83Å; Q197-I200 PolarHBondContact O-N 2.84Å; Q197-K201 WeakPolarHBondContact O-CB 3.48Å; Q197-K201 PolarHBondContact O-N 3.4Å
198R97.7Very high97.6Very high178 Ų178119.7 Ų119.767%0.67256%0.56SS**Hα-helixtrans-61.7-37.2175.1-71.2173.9-168.7176.81.2112.8L194 R196 R202L194-R198 VanDerWaalsContact O-CG 3.3Å; L194-R198 WeakPolarHBondContact O-CG 3.4Å; L194-R198 PolarHBondContact O-N 3.2Å; R196-R198 VanDerWaalsContact C-N 3.32Å; R196-R198 PolarHBondContact O-N 3.09Å; R198-R202 WeakPolarHBondContact O-CB 3.45Å; R198-R202 PolarHBondContact O-N 3.03Å; R198-R202 VanDerWaalsContact O-N 3.08Å
199A97.4Very high97.4Very high60 Ų60120.6 Ų120.650%0.49656%0.561SS.*Hα-helixtrans-69.9-41.9177.400000111.8K195 R196 Q197 R203K195-A199 PolarHBondContact O-N 3.31Å; R196-A199 WeakPolarHBondContact O-CB 3.44Å; R196-A199 PolarHBondContact O-N 3.41Å; Q197-A199 VanDerWaalsContact C-N 3.3Å; Q197-A199 PolarHBondContact O-N 2.83Å; A199-R203 PolarHBondContact O-N 3.5Å; A199-R203 VanDerWaalsContact O-N 3.11Å
200I97.5Very high97.3Very high91 Ų91122 Ų12247%0.46757%0.566SS.*Hα-helixtrans-62.6-52.3175.4-66.8168000110R196 Q197 R202 R203 E204R196-I200 WeakPolarHBondContact O-CG1 3.3Å; R196-I200 PolarHBondContact O-N 2.92Å; Q197-I200 PolarHBondContact O-N 2.84Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 2.91Å; I200-R203 WeakPolarHBondContact O-CA 3.5Å; I200-R203 WeakPolarHBondContact O-CB 3.39Å; I200-R203 PolarHBondContact O-N 3.1Å; I200-E204 HydrophobicContact CG2-CG 4.3Å; I200-E204 VanDerWaalsContact CG2-OE1 3.3Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.38Å; I200-E204 WeakPolarHBondContact O-CG 3.3Å; I200-E204 PolarHBondContact O-N 3.24Å
201K97.6Very high97.1Very high122 Ų122123.3 Ų123.353%0.5357%0.57SS.*Hα-helixtrans-54.1-46.4178179.1172.8173.7172.40112.1Q197 R203 E204 E205Q197-K201 WeakPolarHBondContact O-CB 3.48Å; Q197-K201 PolarHBondContact O-N 3.4Å; K201-R203 VanDerWaalsContact C-N 3.3Å; K201-R203 PolarHBondContact O-N 3.38Å; K201-E204 PolarHBondContact O-N 3.02Å; K201-E205 WeakPolarHBondContact CE-OE1 3.42Å; K201-E205 HydrophobicContact CG-CG 4.31Å; K201-E205 IonicContact NZ-OE1 3.67Å; K201-E205 WeakPolarHBondContact O-CB 3.36Å; K201-E205 WeakPolarHBondContact O-CG 3.32Å; K201-E205 PolarHBondContact O-N 2.96Å
202R97Very high97Very high185 Ų185118.1 Ų118.170%0.69856%0.556SS**Hα-helixtrans-59.3-40.9176-175.1-170.3-60.4-177.3-3.5112.2R198 I200 A206R198-R202 WeakPolarHBondContact O-CB 3.45Å; R198-R202 PolarHBondContact O-N 3.03Å; R198-R202 VanDerWaalsContact O-N 3.08Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 2.91Å; R202-A206 VanDerWaalsContact O-CB 3.28Å; R202-A206 WeakPolarHBondContact O-CB 3.3Å; R202-A206 PolarHBondContact O-N 3.48Å
203R97.2Very high96.8Very high205 Ų205117.4 Ų117.477%0.77455%0.552SS**Hα-helixtrans-66.3-43.3178.9-168.4-178.6-164.5174.54.4111.1A199 I200 K201 A207A199-R203 PolarHBondContact O-N 3.5Å; A199-R203 VanDerWaalsContact O-N 3.11Å; I200-R203 WeakPolarHBondContact O-CA 3.5Å; I200-R203 WeakPolarHBondContact O-CB 3.39Å; I200-R203 PolarHBondContact O-N 3.1Å; K201-R203 VanDerWaalsContact C-N 3.3Å; K201-R203 PolarHBondContact O-N 3.38Å; R203-A207 WeakPolarHBondContact O-CB 3.49Å; R203-A207 PolarHBondContact O-N 2.84Å
204E97.2Very high96.6Very high124 Ų124118 Ų11858%0.57955%0.554SS**Hα-helixtrans-64.9-46.7177.4-70.6170.5172.400111.6I200 K201 A206 A207 A208I200-E204 HydrophobicContact CG2-CG 4.3Å; I200-E204 VanDerWaalsContact CG2-OE1 3.3Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.38Å; I200-E204 WeakPolarHBondContact O-CG 3.3Å; I200-E204 PolarHBondContact O-N 3.24Å; K201-E204 PolarHBondContact O-N 3.02Å; E204-A206 PolarHBondContact O-N 3.36Å; E204-A207 PolarHBondContact O-N 3.4Å; E204-A208 WeakPolarHBondContact O-CB 3.34Å; E204-A208 PolarHBondContact O-N 3Å
205E96.8Very high96.3Very high106 Ų106120.1 Ų120.150%0.49556%0.562SS.*Hα-helixtrans-61.5-43.1176.5-73.5173.1162.700111.9K201 A207 A208 Y209K201-E205 WeakPolarHBondContact CE-OE1 3.42Å; K201-E205 HydrophobicContact CG-CG 4.31Å; K201-E205 IonicContact NZ-OE1 3.67Å; K201-E205 WeakPolarHBondContact O-CB 3.36Å; K201-E205 WeakPolarHBondContact O-CG 3.32Å; K201-E205 PolarHBondContact O-N 2.96Å; E205-A207 PolarHBondContact O-N 3.24Å; E205-A208 PolarHBondContact O-N 3.5Å; E205-Y209 VanDerWaalsContact O-CB 3.3Å; E205-Y209 WeakPolarHBondContact O-CB 3.33Å; E205-Y209 PolarHBondContact O-N 3.47Å
206A96.7Very high96.1Very high61 Ų61120.7 Ų120.750%0.50456%0.56SS.*Hα-helixtrans-64.4-39.8176.200000112.1R202 E204 R210R202-A206 VanDerWaalsContact O-CB 3.28Å; R202-A206 WeakPolarHBondContact O-CB 3.3Å; R202-A206 PolarHBondContact O-N 3.48Å; E204-A206 PolarHBondContact O-N 3.36Å; A206-R210 WeakPolarHBondContact O-CB 3.48Å; A206-R210 PolarHBondContact O-N 3Å
207A96.5Very high95.8Very high60 Ų60115.8 Ų115.850%0.49655%0.548SS..Hα-helixtrans-67.2-43.117600000111.8R203 E204 E205 R210 K211R203-A207 WeakPolarHBondContact O-CB 3.49Å; R203-A207 PolarHBondContact O-N 2.84Å; E204-A207 PolarHBondContact O-N 3.4Å; E205-A207 PolarHBondContact O-N 3.24Å; A207-R210 PolarHBondContact O-N 2.86Å; A207-K211 PolarHBondContact O-N 3.29Å
208A96.2Very high95.4Very high60 Ų60119.7 Ų119.750%0.49656%0.557SS.*Hα-helixtrans-62.7-45.4176.300000111.4E204 E205 R210 K211 L212E204-A208 WeakPolarHBondContact O-CB 3.34Å; E204-A208 PolarHBondContact O-N 3Å; E205-A208 PolarHBondContact O-N 3.5Å; A208-R210 PolarHBondContact O-N 3.27Å; A208-K211 PolarHBondContact O-N 2.86Å; A208-L212 PolarHBondContact O-N 3.29Å
209Y95.8Very high95Very high154 Ų154117.1 Ų117.160%0.60456%0.561SS**Hα-helixtrans-61.7-43.2175.7-178.2-105.4000111.9E205 K211 L212 L213E205-Y209 VanDerWaalsContact O-CB 3.3Å; E205-Y209 WeakPolarHBondContact O-CB 3.33Å; E205-Y209 PolarHBondContact O-N 3.47Å; Y209-K211 VanDerWaalsContact C-N 3.31Å; Y209-K211 PolarHBondContact O-N 3.33Å; Y209-L212 PolarHBondContact O-N 3.25Å; Y209-L213 HydrophobicContact CE1-CD1 4.17Å; Y209-L213 WeakPolarHBondContact O-CB 3.48Å; Y209-L213 PolarHBondContact O-N 3.37Å
210R95.3Very high94Very high199 Ų199122.5 Ų122.575%0.75158%0.576SS**Hα-helixtrans-59.9-39.9175.7-173.9176.2-179.7171.10.7112.3A206 A207 A208 S214A206-R210 WeakPolarHBondContact O-CB 3.48Å; A206-R210 PolarHBondContact O-N 3Å; A207-R210 PolarHBondContact O-N 2.86Å; A208-R210 PolarHBondContact O-N 3.27Å; R210-S214 PolarHBondContact O-N 2.9Å; R210-S214 VanDerWaalsContact O-N 3.1Å
211K95.3Very high91.9Very high142 Ų142128.8 Ų128.862%0.61760%0.603SS**Hα-helixtrans-67.8-40.8175.9-171.1-179.8179.9-177.50112.1A207 A208 Y209 S214 Q215A207-K211 PolarHBondContact O-N 3.29Å; A208-K211 PolarHBondContact O-N 2.86Å; Y209-K211 VanDerWaalsContact C-N 3.31Å; Y209-K211 PolarHBondContact O-N 3.33Å; K211-S214 PolarHBondContact O-OG 2.94Å; K211-Q215 WeakPolarHBondContact O-CG 3.41Å; K211-Q215 PolarHBondContact O-N 3.1Å
212L94.4Very high91.6Very high76 Ų76129.1 Ų129.140%0.39861%0.607SS.*Hα-helixtrans-65-43.1176.2-175.173000111.6A208 Y209 Q215 R216A208-L212 PolarHBondContact O-N 3.29Å; Y209-L212 PolarHBondContact O-N 3.25Å; L212-Q215 PolarHBondContact O-N 3.28Å; L212-R216 PolarHBondContact O-N 3.44Å
213L94.6Very high91.4Very high75 Ų75126.2 Ų126.239%0.39360%0.602SS.*Hα-helixtrans-62.2-43.7178.2-165.1102.5000111.3Y209 Q215 R216 N217Y209-L213 HydrophobicContact CE1-CD1 4.17Å; Y209-L213 WeakPolarHBondContact O-CB 3.48Å; Y209-L213 PolarHBondContact O-N 3.37Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 3.03Å; L213-R216 PolarHBondContact O-N 3.2Å; L213-N217 WeakPolarHBondContact O-CB 3.44Å; L213-N217 VanDerWaalsContact O-CG 3.26Å; L213-N217 PolarHBondContact O-N 2.93Å; L213-N217 PolarHBondContact O-OD1 2.86Å
214S93.2Very high91Very high58 Ų58121.8 Ų121.841%0.40659%0.593SS.*Hα-helixtrans-65.3-35.6178.368.30000112.8R210 K211 R218R210-S214 PolarHBondContact O-N 2.9Å; R210-S214 VanDerWaalsContact O-N 3.1Å; K211-S214 PolarHBondContact O-OG 2.94Å; S214-R218 WeakPolarHBondContact O-CG 2.75Å; S214-R218 PolarHBondContact O-N 3.22Å
215Q93.4Very high90.7Very high107 Ų107121.6 Ų121.650%0.559%0.593SS.*Hα-helixtrans-64.9-45.6172.7-73.5177.4-18.400111.8K211 L212 L213 R218 V219K211-Q215 WeakPolarHBondContact O-CG 3.41Å; K211-Q215 PolarHBondContact O-N 3.1Å; L212-Q215 PolarHBondContact O-N 3.28Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 3.03Å; Q215-R218 PolarHBondContact O-N 2.95Å; Q215-V219 WeakPolarHBondContact O-CG2 3.5Å; Q215-V219 PolarHBondContact O-N 3.23Å
216R91.9Very high90.3Very high168 Ų168122.6 Ų122.663%0.63460%0.6SS**Hα-helixtrans-64.8-41.9178.9-75.1-173.4176.2179.5-1.4112.9L212 L213 R218 V219 Q220L212-R216 PolarHBondContact O-N 3.44Å; L213-R216 PolarHBondContact O-N 3.2Å; R216-R218 PolarHBondContact O-N 2.86Å; R216-V219 PolarHBondContact O-N 3.34Å; R216-V219 VanDerWaalsContact O-N 3.1Å; R216-Q220 PolarHBondContact O-N 3.32Å
217N91.7Very high89.9Confident82 Ų82126.7 Ų126.744%0.43961%0.606SS.*Hα-helixtrans-63.2-31.9177.7-69.80.1000112.1L213 V219L213-N217 WeakPolarHBondContact O-CB 3.44Å; L213-N217 VanDerWaalsContact O-CG 3.26Å; L213-N217 PolarHBondContact O-N 2.93Å; L213-N217 PolarHBondContact O-OD1 2.86Å; N217-V219 VanDerWaalsContact C-N 3.35Å
218R89.6Confident89.4Confident201 Ų201131.5 Ų131.576%0.75861%0.614SS**Hα-helixtrans-70.3-27.8174.2-78.7178.9175.1-172.4-2.9113.9S214 Q215 R216S214-R218 WeakPolarHBondContact O-CG 2.75Å; S214-R218 PolarHBondContact O-N 3.22Å; Q215-R218 PolarHBondContact O-N 2.95Å; R216-R218 PolarHBondContact O-N 2.86Å
219V89.6Confident88.9Confident124 Ų124137 Ų13775%0.75262%0.623SS**Hα-helixtrans-83-23179.8174.20000111.7Q215 R216 N217Q215-V219 WeakPolarHBondContact O-CG2 3.5Å; Q215-V219 PolarHBondContact O-N 3.23Å; R216-V219 PolarHBondContact O-N 3.34Å; R216-V219 VanDerWaalsContact O-N 3.1Å; N217-V219 VanDerWaalsContact C-N 3.35Å
220Q75.6Confident88.3Confident172 Ų172135.6 Ų135.680%0.80462%0.624SS**  trans-88-6.7178.3-71.2-167.2-24.700114.3R216R216-Q220 PolarHBondContact O-N 3.32Å
221Q54.8Low87.6Confident223 Ų223129.8 Ų129.8100%1.04261%0.613SS**  trans-97.60171.7-71.4-174.9-20.200109.5

Retrieved 221 of 221 residues in 66 ms (Link to these results)

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