A0A087X637_POEFO Loading...

REC114 meiotic recombination protein

AlphaFold DB , UniProt , Accession A0A087X637, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 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
1M90Very high87.3Confident75 Ų7538.1 Ų38.137%0.36919%0.193SC..  0146.9070.6-175.9-84.400108.4L9 L10 L39 M54 F56 A71M1-L9 HydrophobicContact CB-CD1 4.26Å; M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact CE-CD2 4.07Å; M1-L9 HydrophobicContact CE-CG 4.35Å; M1-L10 CarbonylContact C-O 3.56Å; M1-L10 WeakPolarHBondContact CA-O 3.37Å; M1-L39 HydrophobicContact CE-CD2 3.93Å; M1-L39 HydrophobicContact SD-CD2 3.99Å; M1-M54 HydrophobicContact CB-CE 4.27Å; M1-M54 HydrophobicContact CB-SD 3.99Å; M1-M54 HydrophobicContact CE-CE 4.17Å; M1-M54 HydrophobicContact CG-CE 4.46Å; M1-M54 HydrophobicContact SD-CE 3.46Å; M1-M54 WeakPolarHBondContact SD-CE 3.35Å; M1-M54 HydrophobicContact SD-SD 4.36Å; M1-F56 HydrophobicContact SD-CE1 4.22Å; M1-F56 HydrophobicContact SD-CE2 4.27Å; M1-F56 HydrophobicContact SD-CZ 3.48Å; M1-F56 WeakPolarHBondContact SD-CZ 3.5Å; M1-A71 HydrophobicContact SD-CB 4.27Å
2T91.2Very high87.3Confident43 Ų4340.6 Ų40.626%0.26421%0.207SC..EExtended strand (participates in β ladder)trans-130.7122.1178.8-550000108.7L4 L10T2-L4 HydrophobicContact CG2-CD2 4.28Å; T2-L10 PolarHBondContact N-O 3.42Å; T2-L10 PolarHBondContact O-N 3.08Å
3L89.9Confident87.1Confident37 Ų3747.1 Ų47.119%0.19424%0.236CC..EExtended strand (participates in β ladder)trans-95.1112.4175.7177.863.4000107.8L9 L23 K74 L75 Y78L3-L9 HydrophobicContact CB-CD1 4.41Å; L3-L23 HydrophobicContact CD1-CD1 3.14Å; L3-K74 HydrophobicContact CD2-CB 3.86Å; L3-L75 HydrophobicContact CD1-CD1 4.21Å; L3-Y78 HydrophobicContact CD1-CD2 4.31Å; L3-Y78 HydrophobicContact CD1-CE2 4.31Å; L3-Y78 HydrophobicContact CD2-CD2 3.96Å; L3-Y78 HydrophobicContact CD2-CE2 3.66Å; L3-Y78 HydrophobicContact CG-CE2 4.19Å
4L85.4Confident86.9Confident5 Ų549.1 Ų49.13%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-81.6142174.8-60.3179000109.4T2 S6 G7 Y8 L10 D152T2-L4 HydrophobicContact CG2-CD2 4.28Å; L4-S6 PolarHBondContact O-N 3.35Å; L4-S6 VanDerWaalsContact O-N 3.16Å; L4-G7 PolarHBondContact O-N 3.12Å; L4-Y8 PolarHBondContact N-O 3.21Å; L4-L10 HydrophobicContact CD1-CD1 3.71Å; L4-L10 HydrophobicContact CD1-CG 4.17Å; L4-L10 HydrophobicContact CD2-CD1 4.17Å; L4-L10 HydrophobicContact CG-CD1 3.97Å; L4-L10 HydrophobicContact CG-CG 4.43Å; L4-D152 HydrophobicContact CD2-CB 4.09Å
5E79.4Confident86.5Confident83 Ų8359.3 Ų59.339%0.38832%0.319SS..THydrogen-bonded Turntrans-60.2-25.2177.1-64.1-167.7170.900113.2G7 C146E5-G7 PolarHBondContact O-N 3.45Å; E5-C146 WeakPolarHBondContact CB-SG 3.48Å
6S77.6Confident86.5Confident51 Ų5163.8 Ų63.836%0.35734%0.337SS..THydrogen-bonded Turntrans-66.62.1172.656.80000114L4L4-S6 PolarHBondContact O-N 3.35Å; L4-S6 VanDerWaalsContact O-N 3.16Å
7G85.1Confident86.5Confident2 Ų263.9 Ų63.92%0.02134%0.338CS..THydrogen-bonded Turntrans79.129.7177.200000113.7L4 E5 L23L4-G7 PolarHBondContact O-N 3.12Å; E5-G7 PolarHBondContact O-N 3.45Å; G7-L23 VanDerWaalsContact O-CB 3.25Å; G7-L23 WeakPolarHBondContact O-CB 3.08Å; G7-L23 WeakPolarHBondContact O-CG 3.07Å; G7-L23 PolarHBondContact O-N 3.06Å
8Y88.3Confident86.5Confident111 Ų11165.4 Ų65.444%0.43535%0.346SS..EExtended strand (participates in β ladder)trans-109.7138.1170.9-72-93.8000110.3L4 T20 I21 P22L4-Y8 PolarHBondContact N-O 3.21Å; Y8-T20 HydrophobicContact CD1-CG2 4.08Å; Y8-I21 WeakPolarHBondContact CA-O 3.34Å; Y8-P22 HydrophobicContact CD1-CB 4.26Å; Y8-P22 HydrophobicContact CE1-CB 3.96Å
9L91.1Very high86.6Confident0 Ų062.6 Ų62.60%033%0.333CS..EExtended strand (participates in β ladder)trans-103.1118.7169.7-17968.8000110.3M1 L3 I21 L23 I41M1-L9 HydrophobicContact CB-CD1 4.26Å; M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact CE-CD2 4.07Å; M1-L9 HydrophobicContact CE-CG 4.35Å; L3-L9 HydrophobicContact CB-CD1 4.41Å; L9-I21 HydrophobicContact CB-CB 4.38Å; L9-I21 HydrophobicContact CD2-CD1 4.49Å; L9-I21 PolarHBondContact N-O 3.13Å; L9-I21 PolarHBondContact O-N 2.72Å; L9-L23 HydrophobicContact CB-CD1 4.27Å; L9-L23 HydrophobicContact CB-CD2 4.01Å; L9-L23 HydrophobicContact CB-CG 4.26Å; L9-I41 HydrophobicContact CD2-CD1 3.18Å
10L91.6Very high86.7Confident4 Ų462.7 Ų62.72%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-95.5125.8172.9-65.1170.1000110.3M1 T2 L4 L12 T20 P155 V159M1-L10 CarbonylContact C-O 3.56Å; M1-L10 WeakPolarHBondContact CA-O 3.37Å; T2-L10 PolarHBondContact N-O 3.42Å; T2-L10 PolarHBondContact O-N 3.08Å; L4-L10 HydrophobicContact CD1-CD1 3.71Å; L4-L10 HydrophobicContact CD1-CG 4.17Å; L4-L10 HydrophobicContact CD2-CD1 4.17Å; L4-L10 HydrophobicContact CG-CD1 3.97Å; L4-L10 HydrophobicContact CG-CG 4.43Å; L10-L12 HydrophobicContact CB-CG 4.42Å; L10-T20 HydrophobicContact CD2-CG2 3.75Å; L10-T20 WeakPolarHBondContact CD2-OG1 3.39Å; L10-P155 HydrophobicContact CD1-CB 3.94Å; L10-V159 HydrophobicContact CD2-CG2 4.4Å
11V91.1Very high86.8Confident8 Ų859.7 Ų59.75%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-109.6109.3171.6-172.70000107.7L18 A19 I21 I52 M54V11-L18 HydrophobicContact CB-CB 4.41Å; V11-L18 HydrophobicContact CG1-CB 4.14Å; V11-L18 HydrophobicContact CG1-CD1 4.2Å; V11-L18 WeakPolarHBondContact O-CB 3.38Å; V11-L18 PolarHBondContact O-N 3.09Å; V11-A19 HydrophobicContact CB-CB 4.24Å; V11-A19 HydrophobicContact CG2-CB 4.37Å; V11-A19 PolarHBondContact N-O 3.34Å; V11-A19 PolarHBondContact O-N 3.47Å; V11-I21 HydrophobicContact CG2-CD1 4.41Å; V11-I52 HydrophobicContact CG1-CG2 4.43Å; V11-I52 HydrophobicContact CG2-CD1 4.42Å; V11-M54 HydrophobicContact CG1-SD 4.03Å; V11-M54 HydrophobicContact CG2-SD 4.14Å
12L86.9Confident86.7Confident68 Ų6858.8 Ų58.836%0.35632%0.32SS..EExtended strand (participates in β ladder)trans-118.3145.8-176.6-53.4176000109.9L10 E16 N17L10-L12 HydrophobicContact CB-CG 4.42Å; L12-E16 CarbonylContact C-O 3.58Å; L12-E16 VanDerWaalsContact CA-O 3.31Å; L12-E16 WeakPolarHBondContact CA-O 3.28Å; L12-N17 HydrophobicContact CD2-CB 3.86Å
13Q84.8Confident86.4Confident125 Ų12557.1 Ų57.158%0.58431%0.309SS*.EExtended strand (participates in β ladder)trans-129.7106.4170-178.7174.31.100108.9Q15 E16 L18Q13-Q15 PolarHBondContact O-N 3.09Å; Q13-E16 PolarHBondContact N-O 3.2Å; Q13-E16 WeakPolarHBondContact O-CB 3.49Å; Q13-E16 PolarHBondContact O-N 3.37Å; Q13-L18 HydrophobicContact CB-CD1 3.79Å; Q13-L18 HydrophobicContact CB-CD2 4.35Å; Q13-L18 HydrophobicContact CB-CG 4.06Å
14G83.7Confident85.7Confident76 Ų7660.9 Ų60.978%0.78433%0.325SS*.THydrogen-bonded Turntrans61.6-119.8-171.400000111.3
15Q82Confident84.7Confident201 Ų20164.9 Ų64.994%0.93935%0.347SS*.THydrogen-bonded Turntrans-94.30.4174.5-66.5-169.5-23.900113.5Q13Q13-Q15 PolarHBondContact O-N 3.09Å
16E85.9Confident83.5Confident131 Ų13164.8 Ų64.861%0.61237%0.368SS*.EExtended strand (participates in β ladder)trans-93.4136.7-177.8-60.3-176.216900111.6L12 Q13L12-E16 CarbonylContact C-O 3.58Å; L12-E16 VanDerWaalsContact CA-O 3.31Å; L12-E16 WeakPolarHBondContact CA-O 3.28Å; Q13-E16 PolarHBondContact N-O 3.2Å; Q13-E16 WeakPolarHBondContact O-CB 3.49Å; Q13-E16 PolarHBondContact O-N 3.37Å
17N85.9Confident82.7Confident66 Ų6664.7 Ų64.735%0.35337%0.367SS..EExtended strand (participates in β ladder)trans-91.5112.2170.1-175-28.7000109.4L12 A19 T20L12-N17 HydrophobicContact CD2-CB 3.86Å; N17-A19 WeakPolarHBondContact OD1-CA 3.42Å; N17-A19 PolarHBondContact OD1-N 3.34Å; N17-A19 VanDerWaalsContact OD1-N 3.07Å; N17-A19 PolarHBondContact OD1-O 2.92Å; N17-T20 PolarHBondContact ND2-OG1 2.72Å; N17-T20 VanDerWaalsContact ND2-OG1 3.1Å
18L87Confident81.5Confident92 Ų9272.1 Ų72.148%0.48241%0.407SS..EExtended strand (participates in β ladder)trans-83.7-38.6178.3-58.4-176.7000111.7V11 Q13V11-L18 HydrophobicContact CB-CB 4.41Å; V11-L18 HydrophobicContact CG1-CB 4.14Å; V11-L18 HydrophobicContact CG1-CD1 4.2Å; V11-L18 WeakPolarHBondContact O-CB 3.38Å; V11-L18 PolarHBondContact O-N 3.09Å; Q13-L18 HydrophobicContact CB-CD1 3.79Å; Q13-L18 HydrophobicContact CB-CD2 4.35Å; Q13-L18 HydrophobicContact CB-CG 4.06Å
19A87.8Confident80.9Confident12 Ų1268.2 Ų68.210%0.09940%0.395CS..EExtended strand (participates in β ladder)trans-160.8147.2176.600000113.1V11 N17 I21 F43 I52V11-A19 HydrophobicContact CB-CB 4.24Å; V11-A19 HydrophobicContact CG2-CB 4.37Å; V11-A19 PolarHBondContact N-O 3.34Å; V11-A19 PolarHBondContact O-N 3.47Å; N17-A19 WeakPolarHBondContact OD1-CA 3.42Å; N17-A19 PolarHBondContact OD1-N 3.34Å; N17-A19 VanDerWaalsContact OD1-N 3.07Å; N17-A19 PolarHBondContact OD1-O 2.92Å; A19-I21 HydrophobicContact CB-CD1 4.24Å; A19-I21 HydrophobicContact CB-CG1 4.01Å; A19-F43 HydrophobicContact CB-CZ 4.28Å; A19-I52 HydrophobicContact CB-CD1 3.41Å; A19-I52 VanDerWaalsContact CB-CD1 3.41Å
20T89.4Confident80.8Confident63 Ų6369.3 Ų69.339%0.38740%0.401SS..EExtended strand (participates in β ladder)trans-121.5110.8166.9-56.70000107.8Y8 L10 N17Y8-T20 HydrophobicContact CD1-CG2 4.08Å; L10-T20 HydrophobicContact CD2-CG2 3.75Å; L10-T20 WeakPolarHBondContact CD2-OG1 3.39Å; N17-T20 PolarHBondContact ND2-OG1 2.72Å; N17-T20 VanDerWaalsContact ND2-OG1 3.1Å
21I88.8Confident80.8Confident1 Ų175.1 Ų75.11%0.00543%0.426CS..EExtended strand (participates in β ladder)trans-115119.2-168.2-52.6171000108.9Y8 L9 V11 A19 L30 I41 F43 I52Y8-I21 WeakPolarHBondContact CA-O 3.34Å; L9-I21 HydrophobicContact CB-CB 4.38Å; L9-I21 HydrophobicContact CD2-CD1 4.49Å; L9-I21 PolarHBondContact N-O 3.13Å; L9-I21 PolarHBondContact O-N 2.72Å; V11-I21 HydrophobicContact CG2-CD1 4.41Å; A19-I21 HydrophobicContact CB-CD1 4.24Å; A19-I21 HydrophobicContact CB-CG1 4.01Å; I21-L30 HydrophobicContact CG2-CD1 3.94Å; I21-I41 HydrophobicContact CD1-CG2 3.95Å; I21-F43 HydrophobicContact CD1-CD1 3.77Å; I21-F43 HydrophobicContact CD1-CE1 3.51Å; I21-F43 HydrophobicContact CD1-CG 4.46Å; I21-F43 HydrophobicContact CD1-CZ 4.01Å; I21-F43 HydrophobicContact CG1-CD1 4.22Å; I21-F43 HydrophobicContact CG1-CD2 4.46Å; I21-F43 HydrophobicContact CG1-CE1 3.94Å; I21-F43 HydrophobicContact CG1-CE2 4.21Å; I21-F43 HydrophobicContact CG1-CG 4.48Å; I21-F43 HydrophobicContact CG1-CZ 3.94Å; I21-F43 HydrophobicContact CG2-CB 4.29Å; I21-F43 HydrophobicContact CG2-CD1 4.42Å; I21-F43 HydrophobicContact CG2-CD2 4.41Å; I21-F43 HydrophobicContact CG2-CG 4.15Å; I21-I52 HydrophobicContact CD1-CD1 4.24Å
22P86.9Confident80.9Confident55 Ų5574.8 Ų74.836%0.35742%0.424SS..EExtended strand (participates in β ladder)trans-71.8132.9171.630.1-32.5000110Y8 D25Y8-P22 HydrophobicContact CD1-CB 4.26Å; Y8-P22 HydrophobicContact CE1-CB 3.96Å; P22-D25 HydrophobicContact CB-CB 4.48Å; P22-D25 HydrophobicContact CG-CB 4.33Å
23L86.2Confident81.2Confident9 Ų975.2 Ų75.25%0.04742%0.424CS..SBendtrans-95.4-23.7-180-57.8175000113L3 G7 L9 L30 L75 Y78 V79L3-L23 HydrophobicContact CD1-CD1 3.14Å; G7-L23 VanDerWaalsContact O-CB 3.25Å; G7-L23 WeakPolarHBondContact O-CB 3.08Å; G7-L23 WeakPolarHBondContact O-CG 3.07Å; G7-L23 PolarHBondContact O-N 3.06Å; L9-L23 HydrophobicContact CB-CD1 4.27Å; L9-L23 HydrophobicContact CB-CD2 4.01Å; L9-L23 HydrophobicContact CB-CG 4.26Å; L23-L30 HydrophobicContact CB-CD2 4.49Å; L23-L30 HydrophobicContact CD2-CD2 3.63Å; L23-L75 HydrophobicContact CD1-CD1 3.63Å; L23-L75 HydrophobicContact CD2-CD1 3.91Å; L23-L75 HydrophobicContact CG-CD1 4.44Å; L23-Y78 HydrophobicContact CD1-CD1 4.23Å; L23-Y78 HydrophobicContact CD1-CG 3.96Å; L23-V79 HydrophobicContact CD2-CG1 4.39Å
24H74.3Confident81.7Confident115 Ų11570.6 Ų70.653%0.53240%0.403SS..  trans-92.89.7-179.8-64.8-54.8000114.3G26 Y78H24-G26 PolarHBondContact O-N 3.48Å; H24-G26 VanDerWaalsContact O-N 3.14Å; H24-Y78 AromaticContact CE1-CD1 3.38Å; H24-Y78 WeakPolarHBondContact CE1-CD1 3.35Å; H24-Y78 AromaticContact NE2-CD1 3.33Å; H24-Y78 VanDerWaalsContact NE2-CD1 3.33Å; H24-Y78 WeakPolarHBondContact NE2-CD1 3.32Å; H24-Y78 AromaticContact NE2-CE1 3.65Å
25D65Low82.2Confident90 Ų9072.1 Ų72.148%0.48139%0.388SS..  trans-67.9117177.5-169.626.9000109.2P22 S27P22-D25 HydrophobicContact CB-CB 4.48Å; P22-D25 HydrophobicContact CG-CB 4.33Å; D25-S27 PolarHBondContact O-N 3.37Å; D25-S27 PolarHBondContact OD2-OG 3.09Å
26G55.2Low82.7Confident80 Ų8064.5 Ų64.583%0.82536%0.357SS*.SBendtrans-67.76.5-176.200000114.3H24H24-G26 PolarHBondContact O-N 3.48Å; H24-G26 VanDerWaalsContact O-N 3.14Å
27S59.6Low83.2Confident49 Ų4959.3 Ų59.334%0.34333%0.333SS..SBendtrans-82133.817173.30000109.3D25 S29D25-S27 PolarHBondContact O-N 3.37Å; D25-S27 PolarHBondContact OD2-OG 3.09Å; S27-S29 PolarHBondContact O-N 3.01Å; S27-S29 WeakPolarHBondContact OG-CB 3.48Å; S27-S29 PolarHBondContact OG-OG 3.36Å
28N60.6Low83.6Confident159 Ų15957.3 Ų57.385%0.8532%0.323SS*.THydrogen-bonded Turntrans-64.823.8173.6-68.4-16.4000113.5
29S75.6Confident84Confident28 Ų2853 Ų5320%0.19630%0.3CS..THydrogen-bonded Turntrans-81.4-27-174.369.20000112.6S27 F43S27-S29 PolarHBondContact O-N 3.01Å; S27-S29 WeakPolarHBondContact OG-CB 3.48Å; S27-S29 PolarHBondContact OG-OG 3.36Å; S29-F43 WeakPolarHBondContact O-CA 3.5Å
30L88.3Confident84.4Confident24 Ų2455.2 Ų55.213%0.12631%0.309CS..  trans-89.3121.7178.9-175.864.5000111.1I21 L23 V32 I41 R42 F43 V79I21-L30 HydrophobicContact CG2-CD1 3.94Å; L23-L30 HydrophobicContact CB-CD2 4.49Å; L23-L30 HydrophobicContact CD2-CD2 3.63Å; L30-V32 HydrophobicContact CD1-CG2 4.35Å; L30-V32 HydrophobicContact CG-CG2 4.27Å; L30-I41 HydrophobicContact CD1-CG2 3.58Å; L30-R42 CarbonylContact C-O 3.59Å; L30-R42 WeakPolarHBondContact CA-O 3.37Å; L30-F43 HydrophobicContact CD1-CB 3.89Å; L30-V79 HydrophobicContact CD2-CB 4.2Å; L30-V79 HydrophobicContact CD2-CG1 4.25Å; L30-V79 HydrophobicContact CD2-CG2 3.91Å; L30-V79 HydrophobicContact CG-CG2 4.18Å
31K91.1Very high84.5Confident125 Ų12552.2 Ų52.254%0.54329%0.291SS..EExtended strand (participates in β ladder)trans-127.3125.4172.6-64.4-178-179.1179.50109.2R42K31-R42 HydrophobicContact CB-CB 4.39Å; K31-R42 PolarHBondContact N-O 3.2Å; K31-R42 PolarHBondContact O-N 3.18Å
32V93.1Very high84.6Confident2 Ų257.3 Ų57.31%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-115.2129.1176.9-172.60000109.3L30 L39 M40 I41 L75 V79 V81 T82L30-V32 HydrophobicContact CD1-CG2 4.35Å; L30-V32 HydrophobicContact CG-CG2 4.27Å; V32-L39 HydrophobicContact CG1-CD1 3.61Å; V32-L39 HydrophobicContact CG1-CG 4.23Å; V32-M40 WeakPolarHBondContact CA-O 3.36Å; V32-I41 HydrophobicContact CG1-CG1 4.33Å; V32-I41 HydrophobicContact CG2-CG2 4.41Å; V32-L75 HydrophobicContact CB-CD2 4.48Å; V32-L75 HydrophobicContact CG1-CD2 3.67Å; V32-L75 HydrophobicContact CG2-CD2 4.26Å; V32-V79 HydrophobicContact CB-CG1 4.5Å; V32-V79 HydrophobicContact CG2-CG1 3.71Å; V32-V79 HydrophobicContact CG2-CG2 4.37Å; V32-V81 HydrophobicContact CB-CG1 4.47Å; V32-V81 HydrophobicContact CB-CG2 4.17Å; V32-V81 HydrophobicContact CG1-CB 4.41Å; V32-V81 HydrophobicContact CG1-CG1 3.91Å; V32-V81 HydrophobicContact CG1-CG2 3.94Å; V32-T82 PolarHBondContact O-N 3.46Å
33Q94.1Very high84.7Confident76 Ų7655.5 Ų55.536%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-129.9143.4177.1-59.4-177.1-23.100109.4M40 T82Q33-M40 HydrophobicContact CB-CB 4.47Å; Q33-M40 PolarHBondContact N-O 3.15Å; Q33-M40 PolarHBondContact O-N 3.05Å; Q33-T82 CarbonylContact C-O 3.56Å; Q33-T82 VanDerWaalsContact CA-O 3.25Å; Q33-T82 WeakPolarHBondContact CA-O 3.26Å
34H95Very high84.6Confident28 Ų2857.7 Ų57.713%0.1331%0.31CS..EExtended strand (participates in β ladder)trans-129.3150.9174.3126-82.8000111.1S36 N38 L39 V72 V81 T82 L84H34-S36 PolarHBondContact CD2-O 3.16Å; H34-S36 VanDerWaalsContact CD2-O 3.32Å; H34-S36 PolarHBondContact NE2-N 3.08Å; H34-S36 PolarHBondContact NE2-O 3.18Å; H34-N38 CarbonylContact C-O 3.59Å; H34-N38 VanDerWaalsContact CA-O 3.28Å; H34-N38 WeakPolarHBondContact CA-O 3.44Å; H34-L39 HydrophobicContact CB-CD1 3.7Å; H34-V72 HydrophobicContact CB-CG2 3.75Å; H34-V81 HydrophobicContact CB-CG1 4.28Å; H34-T82 PolarHBondContact N-O 3.22Å; H34-L84 PolarHBondContact O-N 3.4Å
35K94.2Very high84.8Confident109 Ų10955.1 Ų55.147%0.47430%0.302SS..EExtended strand (participates in β ladder)trans-149.6120.7170-174.7178.4178177.30109.5D37 N38 L84 E85K35-D37 PolarHBondContact O-N 3.25Å; K35-N38 PolarHBondContact N-O 3.41Å; K35-N38 WeakPolarHBondContact O-CB 3.27Å; K35-N38 PolarHBondContact O-N 3.33Å; K35-L84 HydrophobicContact CB-CB 4.23Å; K35-L84 HydrophobicContact CD-CD2 4.42Å; K35-E85 HydrophobicContact CG-CG 4.44Å
36S93.1Very high85.6Confident40 Ų4060.9 Ų60.928%0.2832%0.323SS..THydrogen-bonded Turntrans56.1-117.8179.6-175.60000111.2H34 V65H34-S36 PolarHBondContact CD2-O 3.16Å; H34-S36 VanDerWaalsContact CD2-O 3.32Å; H34-S36 PolarHBondContact NE2-N 3.08Å; H34-S36 PolarHBondContact NE2-O 3.18Å; S36-V65 WeakPolarHBondContact OG-CG2 3.38Å
37D95.8Very high86.8Confident22 Ų2260.5 Ų60.512%0.11832%0.319CS..THydrogen-bonded Turntrans-93.17.2178.161.4-30.9000112.6K35 Q55 F56 A64 V65K35-D37 PolarHBondContact O-N 3.25Å; D37-Q55 WeakPolarHBondContact OD2-CG 3.43Å; D37-Q55 PolarHBondContact OD2-NE2 2.85Å; D37-F56 WeakPolarHBondContact O-CD2 3.37Å; D37-F56 PolarHBondContact O-N 2.95Å; D37-A64 HydrophobicContact CB-CB 3.97Å; D37-V65 HydrophobicContact CB-CG2 4.1Å
38N95.2Very high88Confident25 Ų2563.8 Ų63.813%0.13433%0.329CS..EExtended strand (participates in β ladder)trans-109.4136-176.1-75.2-109.5000111.6H34 K35 R53 M54H34-N38 CarbonylContact C-O 3.59Å; H34-N38 VanDerWaalsContact CA-O 3.28Å; H34-N38 WeakPolarHBondContact CA-O 3.44Å; K35-N38 PolarHBondContact N-O 3.41Å; K35-N38 WeakPolarHBondContact O-CB 3.27Å; K35-N38 PolarHBondContact O-N 3.33Å; N38-R53 VanDerWaalsContact OD1-CZ 3.32Å; N38-R53 PolarHBondContact OD1-NE 3.38Å; N38-R53 PolarHBondContact OD1-NH2 3.25Å; N38-M54 WeakPolarHBondContact CA-O 3.23Å
39L95.4Very high89.2Confident1 Ų159.4 Ų59.41%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-121.4130.6171.2-170.469.6000109.5M1 V32 H34 I41 M54 F56 V72 L75 V81M1-L39 HydrophobicContact CE-CD2 3.93Å; M1-L39 HydrophobicContact SD-CD2 3.99Å; V32-L39 HydrophobicContact CG1-CD1 3.61Å; V32-L39 HydrophobicContact CG1-CG 4.23Å; H34-L39 HydrophobicContact CB-CD1 3.7Å; L39-I41 HydrophobicContact CD2-CD1 4.25Å; L39-I41 HydrophobicContact CG-CG1 4.35Å; L39-M54 HydrophobicContact CB-CE 4.18Å; L39-M54 HydrophobicContact CD2-CE 3.62Å; L39-M54 HydrophobicContact CG-CE 4.2Å; L39-M54 PolarHBondContact N-O 2.88Å; L39-M54 PolarHBondContact O-N 3.47Å; L39-F56 HydrophobicContact CB-CE2 3.83Å; L39-F56 HydrophobicContact CD2-CE2 4.36Å; L39-V72 HydrophobicContact CD1-CG2 3.95Å; L39-L75 HydrophobicContact CD2-CD2 4.09Å; L39-V81 HydrophobicContact CD1-CG1 4.48Å
40M94.9Very high89.8Confident58 Ų5864.5 Ų64.529%0.28633%0.326SS..EExtended strand (participates in β ladder)trans-119.6126.5-180-167.4-179.6-131.900109.6V32 Q33 M51 I52V32-M40 WeakPolarHBondContact CA-O 3.36Å; Q33-M40 HydrophobicContact CB-CB 4.47Å; Q33-M40 PolarHBondContact N-O 3.15Å; Q33-M40 PolarHBondContact O-N 3.05Å; M40-M51 HydrophobicContact CE-CE 3.44Å; M40-M51 VanDerWaalsContact CE-CE 3.44Å; M40-M51 HydrophobicContact CE-CG 3.83Å; M40-M51 HydrophobicContact CE-SD 3.16Å; M40-M51 WeakPolarHBondContact CE-SD 3.48Å; M40-M51 HydrophobicContact CG-CE 3.96Å; M40-M51 HydrophobicContact CG-CG 4.32Å; M40-M51 HydrophobicContact SD-CE 3.46Å; M40-M51 WeakPolarHBondContact SD-CE 3.37Å; M40-M51 HydrophobicContact SD-SD 4.06Å; M40-I52 WeakPolarHBondContact CA-O 3.26Å
41I92.6Very high90Very high1 Ų167 Ų671%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-122.8118.3-177.8-52.9-177000107.8L9 I21 L30 V32 L39 F43 M51 I52 M54L9-I41 HydrophobicContact CD2-CD1 3.18Å; I21-I41 HydrophobicContact CD1-CG2 3.95Å; L30-I41 HydrophobicContact CD1-CG2 3.58Å; V32-I41 HydrophobicContact CG1-CG1 4.33Å; V32-I41 HydrophobicContact CG2-CG2 4.41Å; L39-I41 HydrophobicContact CD2-CD1 4.25Å; L39-I41 HydrophobicContact CG-CG1 4.35Å; I41-F43 HydrophobicContact CG2-CD1 4.2Å; I41-M51 WeakPolarHBondContact O-CA 3.33Å; I41-I52 PolarHBondContact N-O 3.22Å; I41-I52 PolarHBondContact O-N 3.26Å; I41-M54 HydrophobicContact CD1-CE 3.88Å
42R91.3Very high90Very high108 Ų10862.7 Ų62.741%0.40832%0.32SS..EExtended strand (participates in β ladder)trans-109.5129.8171.5-177.3-171.6-66-82.27.7108.2L30 K31 R50 M51L30-R42 CarbonylContact C-O 3.59Å; L30-R42 WeakPolarHBondContact CA-O 3.37Å; K31-R42 HydrophobicContact CB-CB 4.39Å; K31-R42 PolarHBondContact N-O 3.2Å; K31-R42 PolarHBondContact O-N 3.18Å; R42-R50 WeakPolarHBondContact CA-O 3.38Å; R42-M51 HydrophobicContact CB-CE 4.12Å; R42-M51 HydrophobicContact CG-CE 4.49Å
43F88.4Confident90Very high17 Ų1770.9 Ų70.98%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-142.5160.1177.760.4-77.7000109.8A19 I21 S29 L30 I41 V45 S49 R50 I52A19-F43 HydrophobicContact CB-CZ 4.28Å; I21-F43 HydrophobicContact CD1-CD1 3.77Å; I21-F43 HydrophobicContact CD1-CE1 3.51Å; I21-F43 HydrophobicContact CD1-CG 4.46Å; I21-F43 HydrophobicContact CD1-CZ 4.01Å; I21-F43 HydrophobicContact CG1-CD1 4.22Å; I21-F43 HydrophobicContact CG1-CD2 4.46Å; I21-F43 HydrophobicContact CG1-CE1 3.94Å; I21-F43 HydrophobicContact CG1-CE2 4.21Å; I21-F43 HydrophobicContact CG1-CG 4.48Å; I21-F43 HydrophobicContact CG1-CZ 3.94Å; I21-F43 HydrophobicContact CG2-CB 4.29Å; I21-F43 HydrophobicContact CG2-CD1 4.42Å; I21-F43 HydrophobicContact CG2-CD2 4.41Å; I21-F43 HydrophobicContact CG2-CG 4.15Å; S29-F43 WeakPolarHBondContact O-CA 3.5Å; L30-F43 HydrophobicContact CD1-CB 3.89Å; I41-F43 HydrophobicContact CG2-CD1 4.2Å; F43-V45 HydrophobicContact CD2-CG2 3.53Å; F43-V45 HydrophobicContact CE2-CG2 3.6Å; F43-S49 CarbonylContact O-C 3.56Å; F43-S49 WeakPolarHBondContact O-CA 3.44Å; F43-R50 HydrophobicContact CE1-CB 4.08Å; F43-R50 HydrophobicContact CE2-CB 4.16Å; F43-R50 HydrophobicContact CZ-CB 3.88Å; F43-R50 PolarHBondContact N-O 2.85Å; F43-R50 PolarHBondContact O-N 3.28Å; F43-R50 VanDerWaalsContact O-O 3.14Å; F43-I52 HydrophobicContact CE1-CD1 3.77Å; F43-I52 HydrophobicContact CE1-CG1 4.04Å; F43-I52 HydrophobicContact CZ-CD1 4.12Å
44T84.4Confident90Very high55 Ų5568.5 Ų68.534%0.33734%0.34SS..EExtended strand (participates in β ladder)trans-119.1128.6177.2-62.40000109.5E48T44-E48 CarbonylContact C-O 3.55Å; T44-E48 VanDerWaalsContact CA-O 3.27Å; T44-E48 WeakPolarHBondContact CA-O 3.25Å
45V78.6Confident90Very high60 Ų6073.6 Ų73.636%0.36436%0.364SS..EExtended strand (participates in β ladder)trans-122.2121.8176.7-176.50000107.7F43 G47 E48F43-V45 HydrophobicContact CD2-CG2 3.53Å; F43-V45 HydrophobicContact CE2-CG2 3.6Å; V45-G47 PolarHBondContact O-N 2.7Å; V45-G47 VanDerWaalsContact O-N 3.13Å; V45-E48 PolarHBondContact N-O 2.89Å; V45-E48 PolarHBondContact O-N 3.03Å
46K81.3Confident90.1Very high212 Ų21270 Ų7092%0.92235%0.348SS*.THydrogen-bonded Turntrans51.537178.6-60.8-179.6177.6-177.60113.8E48K46-E48 VanDerWaalsContact C-N 3.32Å; K46-E48 PolarHBondContact O-N 3.14Å
47G81.2Confident90.1Very high72 Ų7275 Ų7574%0.74237%0.372SS*.THydrogen-bonded Turntrans86.2-8.9-179.300000115.2V45V45-G47 PolarHBondContact O-N 2.7Å; V45-G47 VanDerWaalsContact O-N 3.13Å
48E83.1Confident89.9Confident118 Ų11875.3 Ų75.355%0.55138%0.38SS*.EExtended strand (participates in β ladder)trans-93.4121.9175.7-63.3-178.4169.500110.9T44 V45 K46 R50T44-E48 CarbonylContact C-O 3.55Å; T44-E48 VanDerWaalsContact CA-O 3.27Å; T44-E48 WeakPolarHBondContact CA-O 3.25Å; V45-E48 PolarHBondContact N-O 2.89Å; V45-E48 PolarHBondContact O-N 3.03Å; K46-E48 VanDerWaalsContact C-N 3.32Å; K46-E48 PolarHBondContact O-N 3.14Å; E48-R50 IonicContact OE2-NH2 3.28Å; E48-R50 PolarHBondContact OE2-NH2 2.94Å
49S86.5Confident89.9Confident67 Ų6779.6 Ų79.647%0.46941%0.412SS..EExtended strand (participates in β ladder)trans-81.5127.2173.1-170.30000110.3F43F43-S49 CarbonylContact O-C 3.56Å; F43-S49 WeakPolarHBondContact O-CA 3.44Å
50R88.5Confident89.9Confident134 Ų13482.3 Ų82.351%0.50643%0.431SS..EExtended strand (participates in β ladder)trans-116152.1174.7-62.4-175.5-177.1-169.2-0.7109.7R42 F43 E48R42-R50 WeakPolarHBondContact CA-O 3.38Å; F43-R50 HydrophobicContact CE1-CB 4.08Å; F43-R50 HydrophobicContact CE2-CB 4.16Å; F43-R50 HydrophobicContact CZ-CB 3.88Å; F43-R50 PolarHBondContact N-O 2.85Å; F43-R50 PolarHBondContact O-N 3.28Å; F43-R50 VanDerWaalsContact O-O 3.14Å; E48-R50 IonicContact OE2-NH2 3.28Å; E48-R50 PolarHBondContact OE2-NH2 2.94Å
51M91.4Very high89.9Confident78 Ų7884.6 Ų84.638%0.38445%0.449SS..EExtended strand (participates in β ladder)trans-137.3128-178173.3166.7-96.200109.3M40 I41 R42M40-M51 HydrophobicContact CE-CE 3.44Å; M40-M51 VanDerWaalsContact CE-CE 3.44Å; M40-M51 HydrophobicContact CE-CG 3.83Å; M40-M51 HydrophobicContact CE-SD 3.16Å; M40-M51 WeakPolarHBondContact CE-SD 3.48Å; M40-M51 HydrophobicContact CG-CE 3.96Å; M40-M51 HydrophobicContact CG-CG 4.32Å; M40-M51 HydrophobicContact SD-CE 3.46Å; M40-M51 WeakPolarHBondContact SD-CE 3.37Å; M40-M51 HydrophobicContact SD-SD 4.06Å; I41-M51 WeakPolarHBondContact O-CA 3.33Å; R42-M51 HydrophobicContact CB-CE 4.12Å; R42-M51 HydrophobicContact CG-CE 4.49Å
52I91.9Very high90.1Very high33 Ų3388.1 Ų88.117%0.16948%0.478CS..EExtended strand (participates in β ladder)trans-120131.1175.9-61177.6000107.4V11 A19 I21 M40 I41 F43 M54V11-I52 HydrophobicContact CG1-CG2 4.43Å; V11-I52 HydrophobicContact CG2-CD1 4.42Å; A19-I52 HydrophobicContact CB-CD1 3.41Å; A19-I52 VanDerWaalsContact CB-CD1 3.41Å; I21-I52 HydrophobicContact CD1-CD1 4.24Å; M40-I52 WeakPolarHBondContact CA-O 3.26Å; I41-I52 PolarHBondContact N-O 3.22Å; I41-I52 PolarHBondContact O-N 3.26Å; F43-I52 HydrophobicContact CE1-CD1 3.77Å; F43-I52 HydrophobicContact CE1-CG1 4.04Å; F43-I52 HydrophobicContact CZ-CD1 4.12Å; I52-M54 HydrophobicContact CG2-CG 3.94Å
53R93.3Very high90.3Very high174 Ų17486.3 Ų86.366%0.65747%0.474SS*.EExtended strand (participates in β ladder)trans-113.3128.3170.5-179.3-179.9170.9-166.9-3.9107.8N38N38-R53 VanDerWaalsContact OD1-CZ 3.32Å; N38-R53 PolarHBondContact OD1-NE 3.38Å; N38-R53 PolarHBondContact OD1-NH2 3.25Å
54M94Very high90.7Very high27 Ų2785.8 Ų85.813%0.13347%0.473CS..EExtended strand (participates in β ladder)trans-118.7139.9176.4-58.4-178.5-5700108.5M1 V11 N38 L39 I41 I52M1-M54 HydrophobicContact CB-CE 4.27Å; M1-M54 HydrophobicContact CB-SD 3.99Å; M1-M54 HydrophobicContact CE-CE 4.17Å; M1-M54 HydrophobicContact CG-CE 4.46Å; M1-M54 HydrophobicContact SD-CE 3.46Å; M1-M54 WeakPolarHBondContact SD-CE 3.35Å; M1-M54 HydrophobicContact SD-SD 4.36Å; V11-M54 HydrophobicContact CG1-SD 4.03Å; V11-M54 HydrophobicContact CG2-SD 4.14Å; N38-M54 WeakPolarHBondContact CA-O 3.23Å; L39-M54 HydrophobicContact CB-CE 4.18Å; L39-M54 HydrophobicContact CD2-CE 3.62Å; L39-M54 HydrophobicContact CG-CE 4.2Å; L39-M54 PolarHBondContact N-O 2.88Å; L39-M54 PolarHBondContact O-N 3.47Å; I41-M54 HydrophobicContact CD1-CE 3.88Å; I52-M54 HydrophobicContact CG2-CG 3.94Å
55Q95.3Very high91.2Very high134 Ų13485.1 Ų85.163%0.62647%0.468SS*.EExtended strand (participates in β ladder)trans-112.3128.4169-174.7173.514.500107.5D37D37-Q55 WeakPolarHBondContact OD2-CG 3.43Å; D37-Q55 PolarHBondContact OD2-NE2 2.85Å
56F95.1Very high92.1Very high33 Ų3386.3 Ų86.315%0.14547%0.473CS..  trans-76.5140.6176-76.6-104.7000109.1M1 D37 L39 A64 Q67 C68 A71M1-F56 HydrophobicContact SD-CE1 4.22Å; M1-F56 HydrophobicContact SD-CE2 4.27Å; M1-F56 HydrophobicContact SD-CZ 3.48Å; M1-F56 WeakPolarHBondContact SD-CZ 3.5Å; D37-F56 WeakPolarHBondContact O-CD2 3.37Å; D37-F56 PolarHBondContact O-N 2.95Å; L39-F56 HydrophobicContact CB-CE2 3.83Å; L39-F56 HydrophobicContact CD2-CE2 4.36Å; F56-A64 WeakPolarHBondContact CB-O 3.4Å; F56-A64 WeakPolarHBondContact O-CB 3.4Å; F56-Q67 HydrophobicContact CB-CB 4.49Å; F56-Q67 HydrophobicContact CD1-CB 3.89Å; F56-C68 HydrophobicContact CB-CB 4.08Å; F56-C68 HydrophobicContact CD1-CB 4.27Å; F56-C68 HydrophobicContact CD2-CB 3.58Å; F56-C68 WeakPolarHBondContact CD2-SG 3.25Å; F56-C68 HydrophobicContact CE2-CB 4.05Å; F56-C68 VanDerWaalsContact CE2-SG 3.56Å; F56-C68 HydrophobicContact CG-CB 3.7Å; F56-A71 HydrophobicContact CE1-CB 3.51Å; F56-A71 HydrophobicContact CZ-CB 3.37Å
57D93.8Very high92.7Very high146 Ų14679.4 Ų79.478%0.78144%0.444SS*.  trans-99.1160178.9-165.419.4000110.6
58G92.4Very high93.4Very high28 Ų2876 Ų7629%0.28941%0.409SS..  trans-179.5160.6179.300000111.6S60G58-S60 PolarHBondContact O-N 2.82Å; G58-S60 VanDerWaalsContact O-N 3.12Å
59S94.3Very high94Very high115 Ų11572.3 Ų72.380%0.80440%0.396SS*.SBendtrans-66.3-14.5178.269.40000113.2E63S59-E63 VanDerWaalsContact CB-OE2 3.25Å; S59-E63 WeakPolarHBondContact CB-OE2 3.5Å; S59-E63 PolarHBondContact N-OE2 3.45Å; S59-E63 PolarHBondContact OG-OE2 2.95Å
60S95.8Very high94.3Very high58 Ų5875.1 Ų75.141%0.40640%0.396SS..SBendtrans-147.5162.5173.566.20000110.7G58 A62 E63 A64G58-S60 PolarHBondContact O-N 2.82Å; G58-S60 VanDerWaalsContact O-N 3.12Å; S60-A62 PolarHBondContact O-N 3.49Å; S60-E63 PolarHBondContact O-N 2.97Å; S60-E63 VanDerWaalsContact O-N 3.11Å; S60-E63 PolarHBondContact OG-N 3.08Å; S60-A64 PolarHBondContact O-N 2.9Å
61T94.8Very high94.6Very high106 Ų10669.6 Ų69.665%0.6538%0.379SS*.Hα-helixtrans-55.9-40.4172.6-52.40000111.9E63 A64 V65T61-E63 VanDerWaalsContact C-N 3.32Å; T61-E63 PolarHBondContact O-N 3.11Å; T61-A64 PolarHBondContact O-N 2.8Å; T61-V65 HydrophobicContact CG2-CG2 4.41Å; T61-V65 WeakPolarHBondContact O-CB 3.36Å; T61-V65 WeakPolarHBondContact O-CG2 3.5Å; T61-V65 PolarHBondContact O-N 2.84Å
62A95.8Very high94.7Very high75 Ų7567 Ų6762%0.6237%0.367SS*.Hα-helixtrans-63.7-38.7178.600000112S60 N66S60-A62 PolarHBondContact O-N 3.49Å; A62-N66 WeakPolarHBondContact O-CB 3.49Å; A62-N66 PolarHBondContact O-N 3.48Å
63E96.9Very high94.8Very high71 Ų7171.7 Ų71.733%0.33239%0.389SS..Hα-helixtrans-68.8-45.9176.2-170.5-179.6-171.900111.7S59 S60 T61 V65 N66 Q67S59-E63 VanDerWaalsContact CB-OE2 3.25Å; S59-E63 WeakPolarHBondContact CB-OE2 3.5Å; S59-E63 PolarHBondContact N-OE2 3.45Å; S59-E63 PolarHBondContact OG-OE2 2.95Å; S60-E63 PolarHBondContact O-N 2.97Å; S60-E63 VanDerWaalsContact O-N 3.11Å; S60-E63 PolarHBondContact OG-N 3.08Å; T61-E63 VanDerWaalsContact C-N 3.32Å; T61-E63 PolarHBondContact O-N 3.11Å; E63-V65 VanDerWaalsContact C-N 3.31Å; E63-V65 PolarHBondContact O-N 3.44Å; E63-N66 WeakPolarHBondContact O-CB 3.37Å; E63-N66 PolarHBondContact O-N 3.26Å; E63-N66 VanDerWaalsContact O-N 3.1Å; E63-Q67 WeakPolarHBondContact O-CG 3.43Å; E63-Q67 PolarHBondContact O-N 3.21Å
64A96.3Very high94.7Very high5 Ų570.1 Ų70.14%0.04139%0.387CS..Hα-helixtrans-57.4-44176.900000112D37 F56 S60 T61 Q67 C68D37-A64 HydrophobicContact CB-CB 3.97Å; F56-A64 WeakPolarHBondContact CB-O 3.4Å; F56-A64 WeakPolarHBondContact O-CB 3.4Å; S60-A64 PolarHBondContact O-N 2.9Å; T61-A64 PolarHBondContact O-N 2.8Å; A64-Q67 PolarHBondContact O-N 3.17Å; A64-C68 PolarHBondContact O-N 3.24Å
65V96Very high94.6Very high41 Ų4168.8 Ų68.825%0.24838%0.38CS..Hα-helixtrans-61.7-45.4173.91720000111S36 D37 T61 E63 Q67 C68 S69S36-V65 WeakPolarHBondContact OG-CG2 3.38Å; D37-V65 HydrophobicContact CB-CG2 4.1Å; T61-V65 HydrophobicContact CG2-CG2 4.41Å; T61-V65 WeakPolarHBondContact O-CB 3.36Å; T61-V65 WeakPolarHBondContact O-CG2 3.5Å; T61-V65 PolarHBondContact O-N 2.84Å; E63-V65 VanDerWaalsContact C-N 3.31Å; E63-V65 PolarHBondContact O-N 3.44Å; V65-Q67 PolarHBondContact O-N 2.95Å; V65-C68 WeakPolarHBondContact O-CB 3.26Å; V65-C68 PolarHBondContact O-N 3.18Å; V65-C68 VanDerWaalsContact O-N 3.17Å; V65-S69 PolarHBondContact O-N 3.08Å; V65-S69 PolarHBondContact O-OG 2.91Å
66N95.8Very high94.3Very high86 Ų8665.8 Ų65.846%0.4637%0.374SS..Hα-helixtrans-62.1-40.9178.4-177.454.3000112.5A62 E63 C68 S69 R70A62-N66 WeakPolarHBondContact O-CB 3.49Å; A62-N66 PolarHBondContact O-N 3.48Å; E63-N66 WeakPolarHBondContact O-CB 3.37Å; E63-N66 PolarHBondContact O-N 3.26Å; E63-N66 VanDerWaalsContact O-N 3.1Å; N66-C68 VanDerWaalsContact C-N 3.32Å; N66-S69 PolarHBondContact O-N 3.31Å; N66-R70 WeakPolarHBondContact O-CG 3.34Å; N66-R70 PolarHBondContact O-N 3.23Å
67Q95.3Very high94Very high66 Ų6668.1 Ų68.131%0.30840%0.399SS..Hα-helixtrans-63.2-40.8174.6-64.8-65.1-4.200111.4F56 E63 A64 V65 R70 A71F56-Q67 HydrophobicContact CB-CB 4.49Å; F56-Q67 HydrophobicContact CD1-CB 3.89Å; E63-Q67 WeakPolarHBondContact O-CG 3.43Å; E63-Q67 PolarHBondContact O-N 3.21Å; A64-Q67 PolarHBondContact O-N 3.17Å; V65-Q67 PolarHBondContact O-N 2.95Å; Q67-R70 PolarHBondContact O-N 3.07Å; Q67-A71 PolarHBondContact O-N 3.44Å; Q67-A71 VanDerWaalsContact O-N 3.11Å
68C95.6Very high93.6Very high0 Ų064.2 Ų64.20%037%0.374CS..Hα-helixtrans-60.7-48.9174.5-166.40000111.5F56 A64 V65 N66 R70 A71 V72F56-C68 HydrophobicContact CB-CB 4.08Å; F56-C68 HydrophobicContact CD1-CB 4.27Å; F56-C68 HydrophobicContact CD2-CB 3.58Å; F56-C68 WeakPolarHBondContact CD2-SG 3.25Å; F56-C68 HydrophobicContact CE2-CB 4.05Å; F56-C68 VanDerWaalsContact CE2-SG 3.56Å; F56-C68 HydrophobicContact CG-CB 3.7Å; A64-C68 PolarHBondContact O-N 3.24Å; V65-C68 WeakPolarHBondContact O-CB 3.26Å; V65-C68 PolarHBondContact O-N 3.18Å; V65-C68 VanDerWaalsContact O-N 3.17Å; N66-C68 VanDerWaalsContact C-N 3.32Å; C68-R70 PolarHBondContact O-N 2.81Å; C68-A71 WeakPolarHBondContact O-CB 3.42Å; C68-A71 PolarHBondContact O-N 3.2Å; C68-A71 VanDerWaalsContact O-N 3.09Å; C68-V72 WeakPolarHBondContact O-CG2 3.42Å; C68-V72 PolarHBondContact O-N 3.23Å
69S94.4Very high93.4Very high41 Ų4163.4 Ų63.429%0.28736%0.364SS..Hα-helixtrans-56.5-45.9177.9-63.80000112.4V65 N66 A71 V72 E73V65-S69 PolarHBondContact O-N 3.08Å; V65-S69 PolarHBondContact O-OG 2.91Å; N66-S69 PolarHBondContact O-N 3.31Å; S69-A71 VanDerWaalsContact C-N 3.3Å; S69-A71 PolarHBondContact O-N 3.43Å; S69-V72 WeakPolarHBondContact O-CB 3.25Å; S69-V72 PolarHBondContact O-N 3.32Å; S69-V72 VanDerWaalsContact O-N 3.17Å; S69-E73 WeakPolarHBondContact O-CG 3.28Å; S69-E73 PolarHBondContact O-N 3.33Å
70R94.5Very high93.1Very high127 Ų12763.1 Ų63.148%0.47936%0.359SS..Hα-helixtrans-62.2-37.2177-69.2172.370.9-168.45.5112.5N66 Q67 C68 K74N66-R70 WeakPolarHBondContact O-CG 3.34Å; N66-R70 PolarHBondContact O-N 3.23Å; Q67-R70 PolarHBondContact O-N 3.07Å; C68-R70 PolarHBondContact O-N 2.81Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.86Å
71A93.8Very high92.9Very high17 Ų1761.9 Ų61.914%0.1435%0.349CS..Hα-helixtrans-69.4-40175.300000111.7M1 F56 Q67 C68 S69 K74 L75M1-A71 HydrophobicContact SD-CB 4.27Å; F56-A71 HydrophobicContact CE1-CB 3.51Å; F56-A71 HydrophobicContact CZ-CB 3.37Å; Q67-A71 PolarHBondContact O-N 3.44Å; Q67-A71 VanDerWaalsContact O-N 3.11Å; C68-A71 WeakPolarHBondContact O-CB 3.42Å; C68-A71 PolarHBondContact O-N 3.2Å; C68-A71 VanDerWaalsContact O-N 3.09Å; S69-A71 VanDerWaalsContact C-N 3.3Å; S69-A71 PolarHBondContact O-N 3.43Å; A71-K74 PolarHBondContact O-N 2.79Å; A71-L75 VanDerWaalsContact O-CB 3.25Å; A71-L75 WeakPolarHBondContact O-CB 3.16Å; A71-L75 PolarHBondContact O-N 2.82Å
72V94.2Very high92.7Very high23 Ų2360.7 Ų60.714%0.13934%0.341CS..Hα-helixtrans-61.8-45174.7168.60000111.2H34 L39 C68 S69 K74 L75 S76 V81H34-V72 HydrophobicContact CB-CG2 3.75Å; L39-V72 HydrophobicContact CD1-CG2 3.95Å; C68-V72 WeakPolarHBondContact O-CG2 3.42Å; C68-V72 PolarHBondContact O-N 3.23Å; S69-V72 WeakPolarHBondContact O-CB 3.25Å; S69-V72 PolarHBondContact O-N 3.32Å; S69-V72 VanDerWaalsContact O-N 3.17Å; V72-K74 PolarHBondContact O-N 2.95Å; V72-L75 PolarHBondContact O-N 3.42Å; V72-S76 WeakPolarHBondContact O-CB 3.43Å; V72-S76 PolarHBondContact O-N 2.68Å; V72-V81 HydrophobicContact CG1-CB 4.04Å; V72-V81 HydrophobicContact CG1-CG1 3.76Å; V72-V81 HydrophobicContact CG1-CG2 4.38Å; V72-V81 HydrophobicContact CG2-CG1 4.25Å
73E92.9Very high92.3Very high133 Ų13360.1 Ų60.162%0.62133%0.333SS*.Hα-helixtrans-55.9-50.1175.7-76.2171.5-174.900111.3S69 L75 S76S69-E73 WeakPolarHBondContact O-CG 3.28Å; S69-E73 PolarHBondContact O-N 3.33Å; E73-L75 PolarHBondContact O-N 3.07Å; E73-S76 PolarHBondContact O-N 2.99Å; E73-S76 PolarHBondContact O-OG 2.68Å
74K91.7Very high91.5Very high140 Ų14061.3 Ų61.361%0.60934%0.341SS*.Hα-helixtrans-61.8-42.8176.8-70.7-177177.3-168.50112.4L3 R70 A71 V72 S76 A77 Y78L3-K74 HydrophobicContact CD2-CB 3.86Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.86Å; A71-K74 PolarHBondContact O-N 2.79Å; V72-K74 PolarHBondContact O-N 2.95Å; K74-S76 VanDerWaalsContact C-N 3.29Å; K74-S76 PolarHBondContact O-N 2.79Å; K74-A77 WeakPolarHBondContact O-CB 3.39Å; K74-A77 PolarHBondContact O-N 3.3Å; K74-Y78 WeakPolarHBondContact O-CD2 3.41Å
75L91.6Very high90Very high0 Ų066.7 Ų66.70%037%0.366CS..Hα-helixtrans-69.4-29.1-177.7-168.961.6000112.4L3 L23 V32 L39 A71 V72 E73 A77 Y78 V79 V81L3-L75 HydrophobicContact CD1-CD1 4.21Å; L23-L75 HydrophobicContact CD1-CD1 3.63Å; L23-L75 HydrophobicContact CD2-CD1 3.91Å; L23-L75 HydrophobicContact CG-CD1 4.44Å; V32-L75 HydrophobicContact CB-CD2 4.48Å; V32-L75 HydrophobicContact CG1-CD2 3.67Å; V32-L75 HydrophobicContact CG2-CD2 4.26Å; L39-L75 HydrophobicContact CD2-CD2 4.09Å; A71-L75 VanDerWaalsContact O-CB 3.25Å; A71-L75 WeakPolarHBondContact O-CB 3.16Å; A71-L75 PolarHBondContact O-N 2.82Å; V72-L75 PolarHBondContact O-N 3.42Å; E73-L75 PolarHBondContact O-N 3.07Å; L75-A77 PolarHBondContact O-N 2.65Å; L75-Y78 PolarHBondContact O-N 2.85Å; L75-V79 HydrophobicContact CD1-CG1 4.04Å; L75-V79 HydrophobicContact CG-CG1 3.87Å; L75-V79 PolarHBondContact O-N 3.44Å; L75-V79 VanDerWaalsContact O-N 3.07Å; L75-V81 HydrophobicContact CB-CG2 4.24Å; L75-V81 HydrophobicContact CD2-CG2 4.13Å; L75-V81 HydrophobicContact CG-CG2 4.11Å
76S89.8Confident87.7Confident70 Ų7070.5 Ų70.549%0.4939%0.388SS..Hα-helixtrans-63.4-19.3178.776.70000113.9V72 E73 K74 Y78 V79V72-S76 WeakPolarHBondContact O-CB 3.43Å; V72-S76 PolarHBondContact O-N 2.68Å; E73-S76 PolarHBondContact O-N 2.99Å; E73-S76 PolarHBondContact O-OG 2.68Å; K74-S76 VanDerWaalsContact C-N 3.29Å; K74-S76 PolarHBondContact O-N 2.79Å; S76-Y78 PolarHBondContact O-N 3.26Å; S76-V79 WeakPolarHBondContact CA-O 3.46Å
77A88Confident85Confident82 Ų8270.7 Ų70.768%0.67840%0.402SS*.THydrogen-bonded Turntrans-70.4-19.6171.900000113.3K74 L75K74-A77 WeakPolarHBondContact O-CB 3.39Å; K74-A77 PolarHBondContact O-N 3.3Å; L75-A77 PolarHBondContact O-N 2.65Å
78Y86.1Confident82.4Confident64 Ų6471.4 Ų71.425%0.25142%0.419SS..THydrogen-bonded Turntrans-110.4-43.1-174-61.4-97.4000112.2L3 L23 H24 K74 L75 S76L3-Y78 HydrophobicContact CD1-CD2 4.31Å; L3-Y78 HydrophobicContact CD1-CE2 4.31Å; L3-Y78 HydrophobicContact CD2-CD2 3.96Å; L3-Y78 HydrophobicContact CD2-CE2 3.66Å; L3-Y78 HydrophobicContact CG-CE2 4.19Å; L23-Y78 HydrophobicContact CD1-CD1 4.23Å; L23-Y78 HydrophobicContact CD1-CG 3.96Å; H24-Y78 AromaticContact CE1-CD1 3.38Å; H24-Y78 WeakPolarHBondContact CE1-CD1 3.35Å; H24-Y78 AromaticContact NE2-CD1 3.33Å; H24-Y78 VanDerWaalsContact NE2-CD1 3.33Å; H24-Y78 WeakPolarHBondContact NE2-CD1 3.32Å; H24-Y78 AromaticContact NE2-CE1 3.65Å; K74-Y78 WeakPolarHBondContact O-CD2 3.41Å; L75-Y78 PolarHBondContact O-N 2.85Å; S76-Y78 PolarHBondContact O-N 3.26Å
79V88.6Confident79.5Confident12 Ų1277.4 Ų77.47%0.07346%0.456CS..SBendtrans-142.8142.6-174.862.30000110.4L23 L30 V32 L75 S76 V81L23-V79 HydrophobicContact CD2-CG1 4.39Å; L30-V79 HydrophobicContact CD2-CB 4.2Å; L30-V79 HydrophobicContact CD2-CG1 4.25Å; L30-V79 HydrophobicContact CD2-CG2 3.91Å; L30-V79 HydrophobicContact CG-CG2 4.18Å; V32-V79 HydrophobicContact CB-CG1 4.5Å; V32-V79 HydrophobicContact CG2-CG1 3.71Å; V32-V79 HydrophobicContact CG2-CG2 4.37Å; L75-V79 HydrophobicContact CD1-CG1 4.04Å; L75-V79 HydrophobicContact CG-CG1 3.87Å; L75-V79 PolarHBondContact O-N 3.44Å; L75-V79 VanDerWaalsContact O-N 3.07Å; S76-V79 WeakPolarHBondContact CA-O 3.46Å; V79-V81 PolarHBondContact O-N 3.34Å
80P88.3Confident76.7Confident109 Ų10983.4 Ų83.471%0.70848%0.479SS*.PPolyproline II helixtrans-59.3124.2173.2-23.333.8000111.5
81V91.1Very high74.2Confident32 Ų3283.2 Ų83.219%0.19449%0.494CS..EExtended strand (participates in β ladder)trans-103.4121.9175-176.50000109.4V32 H34 L39 V72 L75 V79V32-V81 HydrophobicContact CB-CG1 4.47Å; V32-V81 HydrophobicContact CB-CG2 4.17Å; V32-V81 HydrophobicContact CG1-CB 4.41Å; V32-V81 HydrophobicContact CG1-CG1 3.91Å; V32-V81 HydrophobicContact CG1-CG2 3.94Å; H34-V81 HydrophobicContact CB-CG1 4.28Å; L39-V81 HydrophobicContact CD1-CG1 4.48Å; V72-V81 HydrophobicContact CG1-CB 4.04Å; V72-V81 HydrophobicContact CG1-CG1 3.76Å; V72-V81 HydrophobicContact CG1-CG2 4.38Å; V72-V81 HydrophobicContact CG2-CG1 4.25Å; L75-V81 HydrophobicContact CB-CG2 4.24Å; L75-V81 HydrophobicContact CD2-CG2 4.13Å; L75-V81 HydrophobicContact CG-CG2 4.11Å; V79-V81 PolarHBondContact O-N 3.34Å
82T91.2Very high71.5Confident80 Ų8089.5 Ų89.549%0.49153%0.526SS..EExtended strand (participates in β ladder)trans-90.3123.4179.4-50.80000110.5V32 Q33 H34V32-T82 PolarHBondContact O-N 3.46Å; Q33-T82 CarbonylContact C-O 3.56Å; Q33-T82 VanDerWaalsContact CA-O 3.25Å; Q33-T82 WeakPolarHBondContact CA-O 3.26Å; H34-T82 PolarHBondContact N-O 3.22Å
83S87.3Confident68.7Low64 Ų6497.3 Ų97.345%0.44856%0.561SS.*EExtended strand (participates in β ladder)trans-78.8128.1170.1-1780000110.5E85S83-E85 VanDerWaalsContact C-N 3.26Å; S83-E85 PolarHBondContact OG-N 3.18Å
84L79.4Confident66.1Low95 Ų9596.1 Ų96.150%0.49756%0.564SS.*THydrogen-bonded Turntrans-91.417.8175.1-162.363.3000112.3H34 K35H34-L84 PolarHBondContact O-N 3.4Å; K35-L84 HydrophobicContact CB-CB 4.23Å; K35-L84 HydrophobicContact CD-CD2 4.42Å
85E64.8Low63.5Low119 Ų11995.6 Ų95.656%0.55658%0.575SS**THydrogen-bonded Turntrans-91.1-12.1-179.6-73.8-105.1128.400113.9K35 S83K35-E85 HydrophobicContact CG-CG 4.44Å; S83-E85 VanDerWaalsContact C-N 3.26Å; S83-E85 PolarHBondContact OG-N 3.18Å
86V46.7Very low60.7Low120 Ų120101.8 Ų101.873%0.72761%0.613SS**  trans-144.677.2177.9-169.10000111.1
87A39.2Very low58Low91 Ų91104.4 Ų104.475%0.75263%0.626SS**  trans-11959.8158.400000108.9
88A40.4Very low55.7Low80 Ų80106.7 Ų106.766%0.66163%0.631SS**  trans-120.149163.300000109.3
89T35.1Very low53.5Low127 Ų127108.9 Ų108.978%0.77965%0.653SS**  trans-97.195.7165.26.30000108
90H37Very low51Low167 Ų167114.1 Ų114.177%0.77369%0.688SS**  trans-56.7138.1165.7-69.7-87.2000109.7N92H90-N92 PolarHBondContact O-N 3.45Å
91P41.8Very low48.4Very low122 Ų122113.5 Ų113.579%0.79269%0.692SS**SBendtrans-80.323-17031.4-35.5000115.3
92N36.7Very low45.4Very low150 Ų150116.9 Ų116.980%0.80272%0.723SS**  trans-130.381.6-176.6-73.3-53.3000112.4H90H90-N92 PolarHBondContact O-N 3.45Å
93Q36Very low42.8Very low187 Ų187122.2 Ų122.287%0.87474%0.742SS**  trans-150.5127.9153.9-144.1172.4-25.600111
94P38Very low40.1Very low107 Ų107127.8 Ų127.870%0.69576%0.761SS**  trans-77.9158.8-176.129.2-32.1000113.3
95P37Very low37.7Very low129 Ų129127.7 Ų127.784%0.83877%0.774SS**  trans-78.9129.6-163.931.5-33.4000111.9
96T31.8Very low36.1Very low130 Ų130127.6 Ų127.680%0.79879%0.785SS**  trans-116.6104.7170.4-59.40000110.3
97V33.1Very low35.5Very low125 Ų125130.3 Ų130.376%0.75879%0.79SS**  trans50.3109.2140.4-1670000118.6
98V41.1Very low35.1Very low130 Ų130137.5 Ų137.579%0.78880%0.798SS**  trans-69.3142.8162.7-176.80000110.9
99P39Very low34.9Very low111 Ų111143.2 Ų143.272%0.72181%0.807SS**  trans-123.8163.9139.81.620.6000114
100P35.6Very low34.7Very low122 Ų122144.7 Ų144.779%0.79281%0.811SS**  trans-96.9166.3-140.137.1-36.7000116.3
101A33.1Very low34.8Very low96 Ų96140.9 Ų140.979%0.79382%0.817SS**  trans-50.4133176.800000114.8
102A30Very low34.9Very low102 Ų102143.1 Ų143.184%0.84382%0.817SS**  trans-98.3106.3158.300000108.5Q104A102-Q104 PolarHBondContact O-N 3Å
103Q34.8Very low35.1Very low193 Ų193140.9 Ų140.990%0.90281%0.81SS**  trans-65.5117.7167.4-67.2169.4-33.200108.5
104Q32Very low35.7Very low181 Ų181140.7 Ų140.785%0.84681%0.809SS**  trans-117.592.5167-144165.230.800108.5A102 C106A102-Q104 PolarHBondContact O-N 3Å; Q104-C106 PolarHBondContact O-N 3.36Å
105A28.5Very low36.8Very low93 Ų93138.4 Ų138.477%0.76980%0.795SS**  trans-71.9101.8171.200000109Q107A105-Q107 PolarHBondContact O-N 3.22Å
106C30.5Very low38Very low117 Ų117137.6 Ų137.679%0.79178%0.779SS**  trans-88.689.7163.4-75.20000108.6Q104 R108Q104-C106 PolarHBondContact O-N 3.36Å; C106-R108 PolarHBondContact O-N 2.91Å
107Q34Very low39.5Very low176 Ų176134.6 Ų134.682%0.82277%0.768SS**  trans-63.3110.4161.6-75.6-90.125.200108.6A105A105-Q107 PolarHBondContact O-N 3.22Å
108R32.4Very low41.1Very low243 Ų243130.5 Ų130.592%0.91774%0.743SS**  trans-118.4102.4157.2-97-172.9-176.3133.11108.6C106 N110C106-R108 PolarHBondContact O-N 2.91Å; R108-N110 PolarHBondContact O-N 2.95Å
109K34.7Very low42Very low199 Ų199133 Ų13387%0.86575%0.746SS**  trans-72.6113.4166.4-141.5177.7-173.4-178.70107.1
110N31.2Very low43.5Very low159 Ų159131 Ų13185%0.8575%0.746SS**  trans-137121.1156.9-101.51.9000107.1R108 Q112R108-N110 PolarHBondContact O-N 2.95Å; N110-Q112 VanDerWaalsContact C-N 3.35Å; N110-Q112 PolarHBondContact O-N 2.93Å
111G39Very low45.2Very low87 Ų87131 Ų13190%0.89775%0.749SS**  trans-72.784.9-177.500000111.6
112Q44.1Very low47.3Very low169 Ų169128.5 Ų128.579%0.7972%0.723SS**PPolyproline II helixtrans-98.6148.6151-86.4-158.5-102.300109.1N110 E114N110-Q112 VanDerWaalsContact C-N 3.35Å; N110-Q112 PolarHBondContact O-N 2.93Å; Q112-E114 PolarHBondContact O-N 2.95Å; Q112-E114 VanDerWaalsContact O-N 3.09Å
113P42.1Very low49.7Very low102 Ų102126.7 Ų126.766%0.66271%0.705SS**PPolyproline II helixtrans-56.1120.1170.623.7-30.8000107.9
114E48.8Very low51.8Low183 Ų183124.1 Ų124.186%0.85570%0.696SS**PPolyproline II helixtrans-56125174.2-90.6-118.5119.600108.3Q112 E116Q112-E114 PolarHBondContact O-N 2.95Å; Q112-E114 VanDerWaalsContact O-N 3.09Å; E114-E116 PolarHBondContact O-N 3.16Å
115P60.2Low54Low60 Ų60122.6 Ų122.639%0.3969%0.686SS.*PPolyproline II helixtrans-64.3130.4179.723.9-30.2000109.2A117 A136 A138P115-A117 PolarHBondContact O-N 2.75Å; P115-A117 VanDerWaalsContact O-N 3.12Å; P115-A136 HydrophobicContact CB-CB 4.27Å; P115-A138 HydrophobicContact CB-CB 4.03Å; P115-A138 HydrophobicContact CG-CB 4.11Å
116E63Low56.4Low111 Ų111123.3 Ų123.352%0.51967%0.669SS.*EExtended strand (participates in β ladder)trans-59.7119.5-178.6-164.1-179.9169.100108.5E114 V118 R126 A136 L137 A138E114-E116 PolarHBondContact O-N 3.16Å; E116-V118 WeakPolarHBondContact O-CG2 3.35Å; E116-V118 PolarHBondContact O-N 2.99Å; E116-V118 VanDerWaalsContact O-N 3.08Å; E116-R126 IonicContact OE2-NH2 3.45Å; E116-R126 PolarHBondContact OE2-NH2 3.44Å; E116-A136 PolarHBondContact N-O 2.98Å; E116-L137 HydrophobicContact CB-CD2 4.48Å; E116-A138 PolarHBondContact O-N 3.44Å
117A63.4Low58.8Low68 Ų68119.3 Ų119.356%0.56264%0.64SS**EExtended strand (participates in β ladder)trans-69.8104.8179.400000109.5P115 H119P115-A117 PolarHBondContact O-N 2.75Å; P115-A117 VanDerWaalsContact O-N 3.12Å; A117-H119 PolarHBondContact O-N 2.86Å
118V65.7Low61Low38 Ų38114.1 Ų114.123%0.2362%0.62CS.*  trans-83.1105.3-174.7-158.30000109.8E116 V122 L137E116-V118 WeakPolarHBondContact O-CG2 3.35Å; E116-V118 PolarHBondContact O-N 2.99Å; E116-V118 VanDerWaalsContact O-N 3.08Å; V118-V122 HydrophobicContact CB-CG2 4.08Å; V118-V122 HydrophobicContact CG1-CB 4.37Å; V118-V122 HydrophobicContact CG1-CG1 4.36Å; V118-V122 HydrophobicContact CG1-CG2 3.4Å; V118-L137 HydrophobicContact CG2-CB 4.02Å; V118-L137 HydrophobicContact CG2-CD1 4.43Å; V118-L137 HydrophobicContact CG2-CD2 3.87Å; V118-L137 HydrophobicContact CG2-CG 4.33Å
119H59.3Low63.3Low182 Ų182104.8 Ų104.884%0.84359%0.587SS**  trans-93.4116.9170.7-76-73.9000110.1A117A117-H119 PolarHBondContact O-N 2.86Å
120G71.8Confident65.6Low71 Ų7197.4 Ų97.473%0.73256%0.555SS**SBendtrans102.5-147.3175.900000114
121S70.9Confident67.9Low122 Ų12294.7 Ų94.785%0.85354%0.536SS*.  trans-81.6134.9-178.257.80000112.2
122V77.6Confident69.9Low42 Ų4296 Ų9626%0.25552%0.522SS..  trans-106.5138.8175.2-160.20000109.2V118 R126 L127 L137V118-V122 HydrophobicContact CB-CG2 4.08Å; V118-V122 HydrophobicContact CG1-CB 4.37Å; V118-V122 HydrophobicContact CG1-CG1 4.36Å; V118-V122 HydrophobicContact CG1-CG2 3.4Å; V122-R126 HydrophobicContact CG1-CB 3.93Å; V122-L127 HydrophobicContact CB-CD1 4.35Å; V122-L127 HydrophobicContact CB-CD2 4.29Å; V122-L127 HydrophobicContact CB-CG 4.1Å; V122-L127 HydrophobicContact CG1-CD2 4.12Å; V122-L127 HydrophobicContact CG1-CG 3.92Å; V122-L137 HydrophobicContact CG1-CD1 4.11Å
123S80.3Confident71.5Confident64 Ų6491.2 Ų91.245%0.44852%0.518SS..  trans-72151.1174.966.60000111.2K125 R126 L127S123-K125 VanDerWaalsContact C-N 3.26Å; S123-K125 PolarHBondContact O-N 2.98Å; S123-R126 PolarHBondContact O-N 3.19Å; S123-R126 PolarHBondContact OG-N 3.23Å; S123-L127 PolarHBondContact O-N 3.23Å; S123-L127 VanDerWaalsContact O-N 3.09Å
124I79.4Confident73.2Confident140 Ų14092.4 Ų92.472%0.71852%0.515SS*.Hα-helixtrans-56.2-44.7176.5-64.8175.2000110.3R126 L127 T128I124-R126 VanDerWaalsContact C-N 3.35Å; I124-R126 PolarHBondContact O-N 2.93Å; I124-L127 WeakPolarHBondContact O-CB 3.42Å; I124-L127 PolarHBondContact O-N 3.17Å; I124-L127 VanDerWaalsContact O-N 3.09Å; I124-T128 PolarHBondContact O-N 2.84Å; I124-T128 PolarHBondContact O-OG1 2.86Å; I124-T128 VanDerWaalsContact O-OG1 3.05Å
125K77Confident74.5Confident149 Ų14986.5 Ų86.565%0.64849%0.491SS*.Hα-helixtrans-54.3-47.7177.9-175.1175.6176.5176.40112.7S123 L127 T128 E129S123-K125 VanDerWaalsContact C-N 3.26Å; S123-K125 PolarHBondContact O-N 2.98Å; K125-L127 VanDerWaalsContact C-N 3.34Å; K125-L127 PolarHBondContact O-N 3.13Å; K125-T128 WeakPolarHBondContact O-CB 3.5Å; K125-T128 PolarHBondContact O-N 2.85Å; K125-E129 WeakPolarHBondContact CE-OE1 3.47Å; K125-E129 WeakPolarHBondContact O-CG 3.4Å; K125-E129 PolarHBondContact O-N 2.84Å
126R79.7Confident75.4Confident108 Ų10885.9 Ų85.941%0.40849%0.491SS..Hα-helixtrans-65.9-35.4178-91.5-178.4149.4-171.4-15.7112.7E116 V122 S123 I124 H130 L137E116-R126 IonicContact OE2-NH2 3.45Å; E116-R126 PolarHBondContact OE2-NH2 3.44Å; V122-R126 HydrophobicContact CG1-CB 3.93Å; S123-R126 PolarHBondContact O-N 3.19Å; S123-R126 PolarHBondContact OG-N 3.23Å; I124-R126 VanDerWaalsContact C-N 3.35Å; I124-R126 PolarHBondContact O-N 2.93Å; R126-H130 WeakPolarHBondContact O-CB 3.44Å; R126-H130 PolarHBondContact O-N 3.41Å; R126-H130 VanDerWaalsContact O-N 3.08Å; R126-L137 HydrophobicContact CB-CD1 4.37Å; R126-L137 WeakPolarHBondContact O-CD1 3.35Å
127L81.2Confident76.2Confident32 Ų3281 Ų8117%0.16847%0.468CS..Hα-helixtrans-67.4-41.4174.1-72.8170.2000111.3V122 S123 I124 K125 H130 F131 L139V122-L127 HydrophobicContact CB-CD1 4.35Å; V122-L127 HydrophobicContact CB-CD2 4.29Å; V122-L127 HydrophobicContact CB-CG 4.1Å; V122-L127 HydrophobicContact CG1-CD2 4.12Å; V122-L127 HydrophobicContact CG1-CG 3.92Å; S123-L127 PolarHBondContact O-N 3.23Å; S123-L127 VanDerWaalsContact O-N 3.09Å; I124-L127 WeakPolarHBondContact O-CB 3.42Å; I124-L127 PolarHBondContact O-N 3.17Å; I124-L127 VanDerWaalsContact O-N 3.09Å; K125-L127 VanDerWaalsContact C-N 3.34Å; K125-L127 PolarHBondContact O-N 3.13Å; L127-H130 WeakPolarHBondContact O-CB 3.39Å; L127-H130 PolarHBondContact O-N 3.1Å; L127-F131 HydrophobicContact CB-CE2 4.49Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 3.15Å; L127-L139 HydrophobicContact CD2-CD1 3.69Å; L127-L139 HydrophobicContact CD2-CD2 3.73Å; L127-L139 HydrophobicContact CD2-CG 4.4Å
128T80.3Confident77.1Confident67 Ų6779.8 Ų79.841%0.41146%0.459SS..Hα-helixtrans-61-52.4175.8-57.20000110.8I124 K125 H130 F131 L132I124-T128 PolarHBondContact O-N 2.84Å; I124-T128 PolarHBondContact O-OG1 2.86Å; I124-T128 VanDerWaalsContact O-OG1 3.05Å; K125-T128 WeakPolarHBondContact O-CB 3.5Å; K125-T128 PolarHBondContact O-N 2.85Å; T128-H130 PolarHBondContact O-N 3.41Å; T128-F131 PolarHBondContact O-N 3.01Å; T128-F131 VanDerWaalsContact O-N 3.08Å; T128-L132 HydrophobicContact CG2-CD1 3.73Å; T128-L132 VanDerWaalsContact O-CD1 3.23Å; T128-L132 WeakPolarHBondContact O-CD1 3.38Å; T128-L132 PolarHBondContact O-N 3.15Å
129E79.1Confident77.6Confident47 Ų4779.6 Ų79.622%0.2246%0.456CS..Hα-helixtrans-53.9-37.9175.3-70.6165.9177.100111.4K125 G133 E134 T135K125-E129 WeakPolarHBondContact CE-OE1 3.47Å; K125-E129 WeakPolarHBondContact O-CG 3.4Å; K125-E129 PolarHBondContact O-N 2.84Å; E129-G133 PolarHBondContact O-N 3.29Å; E129-E134 HydrophobicContact CB-CB 4.25Å; E129-E134 WeakPolarHBondContact O-CA 3.45Å; E129-E134 WeakPolarHBondContact O-CB 3.37Å; E129-E134 PolarHBondContact O-N 3.38Å; E129-T135 PolarHBondContact O-N 3.19Å
130H83.7Confident78.2Confident45 Ų4574.7 Ų74.721%0.20844%0.44CS..Hα-helixtrans-65.1-49.3174.9177.7-98.9000113.8R126 L127 T128 L132 G133 T135 L137 L139R126-H130 WeakPolarHBondContact O-CB 3.44Å; R126-H130 PolarHBondContact O-N 3.41Å; R126-H130 VanDerWaalsContact O-N 3.08Å; L127-H130 WeakPolarHBondContact O-CB 3.39Å; L127-H130 PolarHBondContact O-N 3.1Å; T128-H130 PolarHBondContact O-N 3.41Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 3.16Å; H130-G133 PolarHBondContact O-N 3.31Å; H130-G133 VanDerWaalsContact O-N 3.11Å; H130-T135 VanDerWaalsContact CA-O 3.28Å; H130-T135 WeakPolarHBondContact CA-O 3.48Å; H130-T135 PolarHBondContact CD2-O 3.44Å; H130-L137 HydrophobicContact CB-CB 4.41Å; H130-L137 HydrophobicContact CB-CD1 3.84Å; H130-L137 HydrophobicContact CB-CG 4.05Å; H130-L137 PolarHBondContact CD2-N 3.06Å; H130-L137 PolarHBondContact NE2-N 3.31Å; H130-L137 PolarHBondContact NE2-O 3.07Å; H130-L137 VanDerWaalsContact NE2-O 3.16Å; H130-L139 WeakPolarHBondContact ND1-CD1 3.46Å
131F79.9Confident77.9Confident101 Ų10178 Ų7844%0.44344%0.441SS..Hα-helixtrans-71.3-25.4-178.9-73-63.2000113.4L127 T128 G133 L139L127-F131 HydrophobicContact CB-CE2 4.49Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 3.15Å; T128-F131 PolarHBondContact O-N 3.01Å; T128-F131 VanDerWaalsContact O-N 3.08Å; F131-G133 PolarHBondContact O-N 2.95Å; F131-L139 HydrophobicContact CE2-CD1 4.45Å; F131-L139 HydrophobicContact CZ-CD1 4.13Å
132L80.4Confident77.4Confident116 Ų11679 Ų7961%0.60744%0.436SS*.THydrogen-bonded Turntrans-79.2-5.3171.9-86.670.7000112.8T128 H130 E134T128-L132 HydrophobicContact CG2-CD1 3.73Å; T128-L132 VanDerWaalsContact O-CD1 3.23Å; T128-L132 WeakPolarHBondContact O-CD1 3.38Å; T128-L132 PolarHBondContact O-N 3.15Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 3.16Å; L132-E134 HydrophobicContact CB-CG 4.15Å
133G78.3Confident76.9Confident67 Ų6782.3 Ų82.369%0.69144%0.444SS*.THydrogen-bonded Turntrans8112.8179.400000114.4E129 H130 F131E129-G133 PolarHBondContact O-N 3.29Å; H130-G133 PolarHBondContact O-N 3.31Å; H130-G133 VanDerWaalsContact O-N 3.11Å; F131-G133 PolarHBondContact O-N 2.95Å
134E77.3Confident76.1Confident128 Ų12882 Ų8260%0.59844%0.442SS*.SBendtrans-82.6-26.2-179.5-58.5177-175.900112.3E129 L132E129-E134 HydrophobicContact CB-CB 4.25Å; E129-E134 WeakPolarHBondContact O-CA 3.45Å; E129-E134 WeakPolarHBondContact O-CB 3.37Å; E129-E134 PolarHBondContact O-N 3.38Å; L132-E134 HydrophobicContact CB-CG 4.15Å
135T76.2Confident75.1Confident58 Ų5880.4 Ų80.436%0.35644%0.441SS..SBendtrans-140149.8178.1-630000110.7E129 H130 L137E129-T135 PolarHBondContact O-N 3.19Å; H130-T135 VanDerWaalsContact CA-O 3.28Å; H130-T135 WeakPolarHBondContact CA-O 3.48Å; H130-T135 PolarHBondContact CD2-O 3.44Å; T135-L137 HydrophobicContact CG2-CD2 4.15Å; T135-L137 HydrophobicContact CG2-CG 4.38Å
136A78.2Confident74Confident48 Ų4876.4 Ų76.440%0.39743%0.431SS..  trans-106.2120.1176.400000111P115 E116P115-A136 HydrophobicContact CB-CB 4.27Å; E116-A136 PolarHBondContact N-O 2.98Å
137L81.4Confident72.9Confident8 Ų875.6 Ų75.64%0.04244%0.442CS..EExtended strand (participates in β ladder)trans-124.3137.3-178.6-62.2-179.4000108.7E116 V118 V122 R126 H130 T135 L139E116-L137 HydrophobicContact CB-CD2 4.48Å; V118-L137 HydrophobicContact CG2-CB 4.02Å; V118-L137 HydrophobicContact CG2-CD1 4.43Å; V118-L137 HydrophobicContact CG2-CD2 3.87Å; V118-L137 HydrophobicContact CG2-CG 4.33Å; V122-L137 HydrophobicContact CG1-CD1 4.11Å; R126-L137 HydrophobicContact CB-CD1 4.37Å; R126-L137 WeakPolarHBondContact O-CD1 3.35Å; H130-L137 HydrophobicContact CB-CB 4.41Å; H130-L137 HydrophobicContact CB-CD1 3.84Å; H130-L137 HydrophobicContact CB-CG 4.05Å; H130-L137 PolarHBondContact CD2-N 3.06Å; H130-L137 PolarHBondContact NE2-N 3.31Å; H130-L137 PolarHBondContact NE2-O 3.07Å; H130-L137 VanDerWaalsContact NE2-O 3.16Å; T135-L137 HydrophobicContact CG2-CD2 4.15Å; T135-L137 HydrophobicContact CG2-CG 4.38Å; L137-L139 HydrophobicContact CB-CD2 3.95Å; L137-L139 HydrophobicContact CB-CG 4.07Å; L137-L139 HydrophobicContact CD1-CD2 4.28Å; L137-L139 PolarHBondContact O-N 3.46Å; L137-L139 VanDerWaalsContact O-N 3.15Å
138A80.9Confident71.8Confident43 Ų4377.4 Ų77.436%0.35545%0.451SS..EExtended strand (participates in β ladder)trans-85.691.9173.100000107.9P115 E116P115-A138 HydrophobicContact CB-CB 4.03Å; P115-A138 HydrophobicContact CG-CB 4.11Å; E116-A138 PolarHBondContact O-N 3.44Å
139L77.2Confident70.9Confident34 Ų3476.2 Ų76.218%0.17845%0.448CS..  trans-88.4147.1-179.6-57.2177.5000111.3L127 H130 F131 L137 Y143L127-L139 HydrophobicContact CD2-CD1 3.69Å; L127-L139 HydrophobicContact CD2-CD2 3.73Å; L127-L139 HydrophobicContact CD2-CG 4.4Å; H130-L139 WeakPolarHBondContact ND1-CD1 3.46Å; F131-L139 HydrophobicContact CE2-CD1 4.45Å; F131-L139 HydrophobicContact CZ-CD1 4.13Å; L137-L139 HydrophobicContact CB-CD2 3.95Å; L137-L139 HydrophobicContact CB-CG 4.07Å; L137-L139 HydrophobicContact CD1-CD2 4.28Å; L137-L139 PolarHBondContact O-N 3.46Å; L137-L139 VanDerWaalsContact O-N 3.15Å; L139-Y143 HydrophobicContact CB-CD2 4.21Å; L139-Y143 HydrophobicContact CB-CG 4.21Å; L139-Y143 HydrophobicContact CD1-CG 4.33Å
140P72.5Confident70Confident79 Ų7979.8 Ų79.851%0.51348%0.478SS..  trans-53.8152.5170.1-24.331.5000111.8I142 Y143P140-I142 HydrophobicContact CB-CG2 4.32Å; P140-I142 PolarHBondContact O-N 3.11Å; P140-Y143 HydrophobicContact CB-CD2 4.16Å; P140-Y143 HydrophobicContact CB-CE2 4.48Å; P140-Y143 HydrophobicContact CG-CD2 4.16Å; P140-Y143 HydrophobicContact CG-CE2 4.22Å; P140-Y143 PolarHBondContact O-N 3.16Å
141N64.4Low69Low139 Ų13980 Ų8074%0.74349%0.493SS*.G310 helixtrans-57.2-17.7-174.2-165.438000114.7Y143 S144N141-Y143 PolarHBondContact O-N 2.86Å; N141-S144 VanDerWaalsContact O-CB 3.26Å; N141-S144 WeakPolarHBondContact O-CB 3.46Å; N141-S144 PolarHBondContact O-N 3.17Å; N141-S144 PolarHBondContact O-OG 3.22Å; N141-S144 PolarHBondContact OD1-OG 2.85Å
142I61.3Low68.7Low145 Ų14576.8 Ų76.874%0.74448%0.48SS*.G310 helixtrans-68.5-21.9173.6-159.8165.9000113.4P140P140-I142 HydrophobicContact CB-CG2 4.32Å; P140-I142 PolarHBondContact O-N 3.11Å
143Y66.1Low68.7Low111 Ų11174.9 Ų74.944%0.43547%0.47SS..G310 helixtrans-99.25.6176.1-60.5-81.9000112.1L139 P140 N141L139-Y143 HydrophobicContact CB-CD2 4.21Å; L139-Y143 HydrophobicContact CB-CG 4.21Å; L139-Y143 HydrophobicContact CD1-CG 4.33Å; P140-Y143 HydrophobicContact CB-CD2 4.16Å; P140-Y143 HydrophobicContact CB-CE2 4.48Å; P140-Y143 HydrophobicContact CG-CD2 4.16Å; P140-Y143 HydrophobicContact CG-CE2 4.22Å; P140-Y143 PolarHBondContact O-N 3.16Å; N141-Y143 PolarHBondContact O-N 2.86Å
144S63Low68.9Low56 Ų5676.9 Ų76.939%0.39246%0.462SS..SBendtrans-53.3129.5171.1-73.20000107.8N141 C146N141-S144 VanDerWaalsContact O-CB 3.26Å; N141-S144 WeakPolarHBondContact O-CB 3.46Å; N141-S144 PolarHBondContact O-N 3.17Å; N141-S144 PolarHBondContact O-OG 3.22Å; N141-S144 PolarHBondContact OD1-OG 2.85Å; S144-C146 PolarHBondContact O-N 3.37Å
145P58.6Low69.1Low108 Ų10871.9 Ų71.970%0.70144%0.44SS*.  trans-57.4107.7-177.320.9-30.6000108.4S147P145-S147 PolarHBondContact O-N 3.41Å
146C53.9Low69.5Low64 Ų6471.8 Ų71.843%0.43244%0.437SS..  trans-90.389.8178.1-162.90000105.4E5 S144 L148E5-C146 WeakPolarHBondContact CB-SG 3.48Å; S144-C146 PolarHBondContact O-N 3.37Å; C146-L148 PolarHBondContact O-N 2.77Å
147S56.7Low69.9Low92 Ų9272.9 Ų72.964%0.64344%0.436SS*.  trans-76.2107.3173.3-175.30000105.9P145 A149P145-S147 PolarHBondContact O-N 3.41Å; S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact O-N 3.3Å
148L58.4Low70.2Confident69 Ų6979.4 Ų79.436%0.36146%0.46SS..  trans-53.6104.3167-77.1168.2000107.1C146 S150 D152 L153 L156C146-L148 PolarHBondContact O-N 2.77Å; L148-S150 PolarHBondContact O-N 3.42Å; L148-D152 HydrophobicContact CD2-CB 4.48Å; L148-L153 HydrophobicContact CD1-CD1 4.26Å; L148-L156 HydrophobicContact CD1-CD2 3.84Å; L148-L156 HydrophobicContact CD2-CD2 4.28Å
149A62.3Low70.5Confident43 Ų4379.9 Ų79.936%0.35546%0.459SS..  trans-53.5142.1173.900000107.2S147 G151 D152S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact O-N 3.3Å; A149-G151 PolarHBondContact O-N 3.48Å; A149-D152 PolarHBondContact O-N 3.32Å
150S59.5Low71Confident121 Ų12179.9 Ų79.985%0.84646%0.461SS*.THydrogen-bonded Turntrans-57.7-19.9-17186.70000113.4L148L148-S150 PolarHBondContact O-N 3.42Å
151G63.3Low71.9Confident50 Ų5081.3 Ų81.352%0.51546%0.464SS..THydrogen-bonded Turntrans-81-20.517400000115.8A149 P155A149-G151 PolarHBondContact O-N 3.48Å; G151-P155 WeakPolarHBondContact O-CD 3.33Å
152D72.4Confident73Confident34 Ų3481.2 Ų81.218%0.18246%0.463CS..THydrogen-bonded Turntrans-89.6-13.6-178.9-69.2-25.7000112.9L4 L148 A149 P155L4-D152 HydrophobicContact CD2-CB 4.09Å; L148-D152 HydrophobicContact CD2-CB 4.48Å; A149-D152 PolarHBondContact O-N 3.32Å; D152-P155 WeakPolarHBondContact O-CD 3.32Å
153L81.7Confident74.5Confident75 Ų7578.1 Ų78.139%0.39345%0.447SS..Hα-helixtrans-67.9-39.5177.4-176.961.6000112L148 L156 L157L148-L153 HydrophobicContact CD1-CD1 4.26Å; L153-L156 PolarHBondContact O-N 3.11Å; L153-L157 HydrophobicContact CD1-CD1 4.28Å; L153-L157 HydrophobicContact CD1-CD2 4.46Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CD2-CD1 4.3Å; L153-L157 HydrophobicContact CG-CD1 3.82Å; L153-L157 HydrophobicContact CG-CG 4.07Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.32Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.81Å
154E82.8Confident75.7Confident110 Ų11078.8 Ų78.851%0.51447%0.465SS..Hα-helixtrans-62.5-49.1-177.4173.7-178.5-168.700112.9L156 L157 R158E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 2.86Å; E154-L157 PolarHBondContact O-N 2.9Å; E154-R158 WeakPolarHBondContact O-CG 3.48Å; E154-R158 PolarHBondContact O-N 2.88Å; E154-R158 IonicContact OE1-CZ 3.31Å; E154-R158 VanDerWaalsContact OE1-CZ 3.31Å; E154-R158 IonicContact OE1-NE 3.55Å; E154-R158 IonicContact OE1-NH2 2.61Å; E154-R158 PolarHBondContact OE1-NH2 3.09Å
155P79.9Confident77.1Confident22 Ų2279.2 Ų79.214%0.14347%0.469CS..Hα-helixtrans-56.8-40173.6-25.933.5000113.5L10 G151 D152 R158 V159L10-P155 HydrophobicContact CD1-CB 3.94Å; G151-P155 WeakPolarHBondContact O-CD 3.33Å; D152-P155 WeakPolarHBondContact O-CD 3.32Å; P155-R158 PolarHBondContact O-N 3.18Å; P155-V159 PolarHBondContact O-N 2.91Å
156L84.1Confident78.9Confident56 Ų5676.2 Ų76.229%0.29344%0.444SS..Hα-helixtrans-65.7-47.6178.3-178.265.8000111.4L148 L153 E154 R158 V159 C160L148-L156 HydrophobicContact CD1-CD2 3.84Å; L148-L156 HydrophobicContact CD2-CD2 4.28Å; L153-L156 PolarHBondContact O-N 3.11Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 2.86Å; L156-R158 VanDerWaalsContact C-N 3.28Å; L156-R158 PolarHBondContact O-N 2.89Å; L156-V159 WeakPolarHBondContact O-CB 3.48Å; L156-V159 PolarHBondContact O-N 2.87Å; L156-C160 PolarHBondContact O-N 3.27Å; L156-C160 PolarHBondContact O-SG 2.82Å
157L87.9Confident80.8Confident72 Ų7276.1 Ų76.138%0.37744%0.443SS..Hα-helixtrans-58.8-39.6177.6-73.6175.7000111.8L153 E154 V159 C160 L161 F166L153-L157 HydrophobicContact CD1-CD1 4.28Å; L153-L157 HydrophobicContact CD1-CD2 4.46Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CD2-CD1 4.3Å; L153-L157 HydrophobicContact CG-CD1 3.82Å; L153-L157 HydrophobicContact CG-CG 4.07Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.32Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.81Å; E154-L157 PolarHBondContact O-N 2.9Å; L157-V159 VanDerWaalsContact C-N 3.3Å; L157-V159 PolarHBondContact O-N 2.84Å; L157-C160 PolarHBondContact O-N 3.35Å; L157-L161 WeakPolarHBondContact O-CB 3.26Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 2.84Å; L157-F166 HydrophobicContact CD2-CE1 4.19Å; L157-F166 HydrophobicContact CD2-CZ 4.44Å
158R87.7Confident82.6Confident145 Ų14574.6 Ų74.655%0.54744%0.436SS..Hα-helixtrans-61.1-37.6175.7-72176.7-176.8175.4-0.8112.7E154 P155 L156E154-R158 WeakPolarHBondContact O-CG 3.48Å; E154-R158 PolarHBondContact O-N 2.88Å; E154-R158 IonicContact OE1-CZ 3.31Å; E154-R158 VanDerWaalsContact OE1-CZ 3.31Å; E154-R158 IonicContact OE1-NE 3.55Å; E154-R158 IonicContact OE1-NH2 2.61Å; E154-R158 PolarHBondContact OE1-NH2 3.09Å; P155-R158 PolarHBondContact O-N 3.18Å; L156-R158 VanDerWaalsContact C-N 3.28Å; L156-R158 PolarHBondContact O-N 2.89Å
159V86Confident84.3Confident53 Ų5377.1 Ų77.132%0.32145%0.445SS..Hα-helixtrans-68.6-43.4174.6176.60000110.4L10 P155 L156 L157 L161 L162L10-V159 HydrophobicContact CD2-CG2 4.4Å; P155-V159 PolarHBondContact O-N 2.91Å; L156-V159 WeakPolarHBondContact O-CB 3.48Å; L156-V159 PolarHBondContact O-N 2.87Å; L157-V159 VanDerWaalsContact C-N 3.3Å; L157-V159 PolarHBondContact O-N 2.84Å; V159-L161 VanDerWaalsContact C-N 3.31Å; V159-L161 PolarHBondContact O-N 2.87Å; V159-L162 VanDerWaalsContact O-CB 3.26Å; V159-L162 WeakPolarHBondContact O-CB 3.33Å; V159-L162 VanDerWaalsContact O-CG 3.32Å; V159-L162 WeakPolarHBondContact O-CG 3.36Å; V159-L162 PolarHBondContact O-N 3.33Å; V159-L162 VanDerWaalsContact O-N 3.16Å
160C88.7Confident85.9Confident34 Ų3478.4 Ų78.423%0.2345%0.448CS..Hα-helixtrans-63.1-36.2178.5-62.80000112.9L156 L157 L162 D163 F166L156-C160 PolarHBondContact O-N 3.27Å; L156-C160 PolarHBondContact O-SG 2.82Å; L157-C160 PolarHBondContact O-N 3.35Å; C160-L162 PolarHBondContact O-N 2.84Å; C160-L162 VanDerWaalsContact O-N 3.15Å; C160-D163 PolarHBondContact O-N 2.92Å; C160-F166 HydrophobicContact CB-CD1 3.54Å; C160-F166 HydrophobicContact CB-CD2 3.72Å; C160-F166 HydrophobicContact CB-CE1 3.37Å; C160-F166 HydrophobicContact CB-CE2 3.57Å; C160-F166 HydrophobicContact CB-CG 3.7Å; C160-F166 HydrophobicContact CB-CZ 3.39Å; C160-F166 WeakPolarHBondContact O-CB 3.21Å
161L91.1Very high87.6Confident109 Ų10978.9 Ų78.957%0.57144%0.436SS*.THydrogen-bonded Turntrans-68.3-6.7177-71.6171000114.1L157 V159 D163 F166 P167L157-L161 WeakPolarHBondContact O-CB 3.26Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 2.84Å; V159-L161 VanDerWaalsContact C-N 3.31Å; V159-L161 PolarHBondContact O-N 2.87Å; L161-D163 PolarHBondContact O-N 3.22Å; L161-F166 HydrophobicContact CD2-CD1 4.46Å; L161-P167 HydrophobicContact CD2-CG 4.17Å
162L88.4Confident89.2Confident137 Ų13782.7 Ų82.772%0.71744%0.439SS*.THydrogen-bonded Turntrans-69.8-19.1167.7-58.1177.6000112V159 C160V159-L162 VanDerWaalsContact O-CB 3.26Å; V159-L162 WeakPolarHBondContact O-CB 3.33Å; V159-L162 VanDerWaalsContact O-CG 3.32Å; V159-L162 WeakPolarHBondContact O-CG 3.36Å; V159-L162 PolarHBondContact O-N 3.33Å; V159-L162 VanDerWaalsContact O-N 3.16Å; C160-L162 PolarHBondContact O-N 2.84Å; C160-L162 VanDerWaalsContact O-N 3.15Å
163D92.3Very high90.2Very high79 Ų7983.9 Ų83.942%0.42245%0.447SS..SBendtrans-94.6115.7170.2-175.4-17.9000109.9C160 L161 S165 F166C160-D163 PolarHBondContact O-N 2.92Å; L161-D163 PolarHBondContact O-N 3.22Å; D163-S165 VanDerWaalsContact CG-OG 3.25Å; D163-S165 PolarHBondContact O-N 3.19Å; D163-S165 VanDerWaalsContact O-N 3.16Å; D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 3.06Å; D163-S165 PolarHBondContact OD1-OG 3.31Å; D163-S165 PolarHBondContact OD2-OG 2.98Å; D163-F166 HydrophobicContact CB-CB 4.25Å; D163-F166 VanDerWaalsContact O-CB 3.29Å; D163-F166 WeakPolarHBondContact O-CB 3.39Å; D163-F166 PolarHBondContact O-N 3.39Å; D163-F166 VanDerWaalsContact O-N 3.11Å
164P90.3Very high90.7Very high125 Ų12585 Ų8581%0.81245%0.45SS*.THydrogen-bonded Turntrans-65.5-18-17927.5-35.1000113.8
165S94Very high91.3Very high66 Ų6684.7 Ų84.746%0.46245%0.449SS..THydrogen-bonded Turntrans-83.8-13.9177.172.50000113.4D163 A168 F169D163-S165 VanDerWaalsContact CG-OG 3.25Å; D163-S165 PolarHBondContact O-N 3.19Å; D163-S165 VanDerWaalsContact O-N 3.16Å; D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 3.06Å; D163-S165 PolarHBondContact OD1-OG 3.31Å; D163-S165 PolarHBondContact OD2-OG 2.98Å; S165-A168 PolarHBondContact O-N 3.17Å; S165-F169 PolarHBondContact O-N 3.04Å
166F95.3Very high91.9Very high44 Ų4488 Ų8819%0.19346%0.462CS..Hα-helixtrans-58.7-44.8-173.2-180-102.9000114L157 C160 L161 D163 A168 F169 V170L157-F166 HydrophobicContact CD2-CE1 4.19Å; L157-F166 HydrophobicContact CD2-CZ 4.44Å; C160-F166 HydrophobicContact CB-CD1 3.54Å; C160-F166 HydrophobicContact CB-CD2 3.72Å; C160-F166 HydrophobicContact CB-CE1 3.37Å; C160-F166 HydrophobicContact CB-CE2 3.57Å; C160-F166 HydrophobicContact CB-CG 3.7Å; C160-F166 HydrophobicContact CB-CZ 3.39Å; C160-F166 WeakPolarHBondContact O-CB 3.21Å; L161-F166 HydrophobicContact CD2-CD1 4.46Å; D163-F166 HydrophobicContact CB-CB 4.25Å; D163-F166 VanDerWaalsContact O-CB 3.29Å; D163-F166 WeakPolarHBondContact O-CB 3.39Å; D163-F166 PolarHBondContact O-N 3.39Å; D163-F166 VanDerWaalsContact O-N 3.11Å; F166-A168 PolarHBondContact O-N 3.33Å; F166-F169 HydrophobicContact CD2-CD1 4.39Å; F166-F169 HydrophobicContact CE2-CD1 4.49Å; F166-F169 WeakPolarHBondContact O-CB 3.39Å; F166-F169 PolarHBondContact O-N 3.48Å; F166-F169 VanDerWaalsContact O-N 3.15Å; F166-V170 HydrophobicContact CD1-CG2 4.11Å; F166-V170 HydrophobicContact CD2-CG2 4.33Å; F166-V170 HydrophobicContact CE1-CG2 3.61Å; F166-V170 HydrophobicContact CE2-CG2 3.86Å; F166-V170 HydrophobicContact CG-CG2 4.44Å; F166-V170 HydrophobicContact CZ-CG2 3.47Å; F166-V170 VanDerWaalsContact CZ-CG2 3.47Å; F166-V170 WeakPolarHBondContact O-CG2 3.38Å; F166-V170 PolarHBondContact O-N 2.9Å
167P93.7Very high92Very high62 Ų6289.4 Ų89.440%0.40347%0.47SS..Hα-helixtrans-58.8-44.6178.9-25.335.7000113.3L161 F169 V170 E171L161-P167 HydrophobicContact CD2-CG 4.17Å; P167-F169 VanDerWaalsContact C-N 3.31Å; P167-F169 PolarHBondContact O-N 3.47Å; P167-V170 PolarHBondContact O-N 3.38Å; P167-E171 PolarHBondContact O-N 3.37Å; P167-E171 VanDerWaalsContact O-N 3.13Å
168A94.1Very high92Very high61 Ų6190.4 Ų90.450%0.50447%0.473SS..Hα-helixtrans-66.8-33.7177.700000112.2S165 F166 K172S165-A168 PolarHBondContact O-N 3.17Å; F166-A168 PolarHBondContact O-N 3.33Å; A168-K172 PolarHBondContact O-N 3.1Å
169F95.4Very high92.2Very high122 Ų12288.9 Ų88.954%0.53547%0.47SS..Hα-helixtrans-64.3-42172.4171.4-100.7000111.9S165 F166 P167 K172 V173S165-F169 PolarHBondContact O-N 3.04Å; F166-F169 HydrophobicContact CD2-CD1 4.39Å; F166-F169 HydrophobicContact CE2-CD1 4.49Å; F166-F169 WeakPolarHBondContact O-CB 3.39Å; F166-F169 PolarHBondContact O-N 3.48Å; F166-F169 VanDerWaalsContact O-N 3.15Å; P167-F169 VanDerWaalsContact C-N 3.31Å; P167-F169 PolarHBondContact O-N 3.47Å; F169-K172 PolarHBondContact O-N 3Å; F169-V173 HydrophobicContact CD1-CG2 4.2Å; F169-V173 HydrophobicContact CD2-CG2 4.37Å; F169-V173 HydrophobicContact CE1-CG2 3.68Å; F169-V173 HydrophobicContact CE2-CG2 3.87Å; F169-V173 HydrophobicContact CZ-CG2 3.5Å; F169-V173 VanDerWaalsContact CZ-CG2 3.5Å; F169-V173 WeakPolarHBondContact O-CG2 3.4Å; F169-V173 PolarHBondContact O-N 3.17Å
170V95.7Very high91.9Very high69 Ų6991.6 Ų91.642%0.41848%0.482SS..Hα-helixtrans-62-43.2177.6173.30000111.3F166 P167 K172 V173 Q174F166-V170 HydrophobicContact CD1-CG2 4.11Å; F166-V170 HydrophobicContact CD2-CG2 4.33Å; F166-V170 HydrophobicContact CE1-CG2 3.61Å; F166-V170 HydrophobicContact CE2-CG2 3.86Å; F166-V170 HydrophobicContact CG-CG2 4.44Å; F166-V170 HydrophobicContact CZ-CG2 3.47Å; F166-V170 VanDerWaalsContact CZ-CG2 3.47Å; F166-V170 WeakPolarHBondContact O-CG2 3.38Å; F166-V170 PolarHBondContact O-N 2.9Å; P167-V170 PolarHBondContact O-N 3.38Å; V170-K172 VanDerWaalsContact C-N 3.32Å; V170-K172 PolarHBondContact O-N 2.88Å; V170-V173 PolarHBondContact O-N 3.43Å; V170-Q174 PolarHBondContact O-N 3.39Å
171E95.1Very high91.1Very high131 Ų13197.7 Ų97.761%0.61251%0.507SS*.Hα-helixtrans-56.6-47.1173.9-70.6176.7175.500111.3P167 V173 Q174 E175P167-E171 PolarHBondContact O-N 3.37Å; P167-E171 VanDerWaalsContact O-N 3.13Å; E171-V173 VanDerWaalsContact C-N 3.35Å; E171-V173 PolarHBondContact O-N 3.01Å; E171-Q174 WeakPolarHBondContact O-CB 3.31Å; E171-Q174 PolarHBondContact O-N 2.88Å; E171-E175 WeakPolarHBondContact O-CG 3.46Å; E171-E175 PolarHBondContact O-N 2.8Å
172K96.1Very high90Very high131 Ų131100.8 Ų100.857%0.5752%0.519SS*.Hα-helixtrans-64.1-37.4178.2-169.2175.1-177.2179.70113.2A168 F169 V170 Q174 E175 E176A168-K172 PolarHBondContact O-N 3.1Å; F169-K172 PolarHBondContact O-N 3Å; V170-K172 VanDerWaalsContact C-N 3.32Å; V170-K172 PolarHBondContact O-N 2.88Å; K172-Q174 VanDerWaalsContact C-N 3.34Å; K172-E175 PolarHBondContact O-N 2.85Å; K172-E176 WeakPolarHBondContact O-CG 3.45Å; K172-E176 PolarHBondContact O-N 2.81Å; K172-E176 VanDerWaalsContact O-N 3.07Å
173V93.9Very high88.4Confident59 Ų59104.5 Ų104.536%0.35853%0.533SS..Hα-helixtrans-63.4-43.2174.8169.80000110.4F169 V170 E171 E176 L177F169-V173 HydrophobicContact CD1-CG2 4.2Å; F169-V173 HydrophobicContact CD2-CG2 4.37Å; F169-V173 HydrophobicContact CE1-CG2 3.68Å; F169-V173 HydrophobicContact CE2-CG2 3.87Å; F169-V173 HydrophobicContact CZ-CG2 3.5Å; F169-V173 VanDerWaalsContact CZ-CG2 3.5Å; F169-V173 WeakPolarHBondContact O-CG2 3.4Å; F169-V173 PolarHBondContact O-N 3.17Å; V170-V173 PolarHBondContact O-N 3.43Å; E171-V173 VanDerWaalsContact C-N 3.35Å; E171-V173 PolarHBondContact O-N 3.01Å; V173-E176 PolarHBondContact O-N 2.81Å; V173-L177 HydrophobicContact CG1-CD1 3.99Å; V173-L177 HydrophobicContact CG1-CG 4.36Å; V173-L177 WeakPolarHBondContact O-CG 3.38Å; V173-L177 PolarHBondContact O-N 3.22Å
174Q93.3Very high88.2Confident98 Ų98105.8 Ų105.846%0.45854%0.538SS..Hα-helixtrans-59.9-46.4176.4-179.861.929.700111.3V170 E171 K172 E176 L177 E178V170-Q174 PolarHBondContact O-N 3.39Å; E171-Q174 WeakPolarHBondContact O-CB 3.31Å; E171-Q174 PolarHBondContact O-N 2.88Å; K172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-E176 PolarHBondContact O-N 3.05Å; Q174-L177 PolarHBondContact O-N 2.98Å; Q174-E178 PolarHBondContact NE2-OE1 3.39Å; Q174-E178 WeakPolarHBondContact O-CG 3.4Å; Q174-E178 PolarHBondContact O-N 3.31Å
175E94.3Very high88.1Confident103 Ų103104.8 Ų104.848%0.48152%0.524SS..Hα-helixtrans-58.7-43.2176.6-71176.5-176.800112.8E171 K172 K179E171-E175 WeakPolarHBondContact O-CG 3.46Å; E171-E175 PolarHBondContact O-N 2.8Å; K172-E175 PolarHBondContact O-N 2.85Å; E175-K179 WeakPolarHBondContact O-CG 3.46Å; E175-K179 PolarHBondContact O-N 2.97Å
176E93.7Very high87.7Confident91 Ų91106.9 Ų106.943%0.42553%0.527SS..Hα-helixtrans-69.9-35178.4-67.6-64.7124.300112.1K172 V173 Q174 K179 L180K172-E176 WeakPolarHBondContact O-CG 3.45Å; K172-E176 PolarHBondContact O-N 2.81Å; K172-E176 VanDerWaalsContact O-N 3.07Å; V173-E176 PolarHBondContact O-N 2.81Å; Q174-E176 PolarHBondContact O-N 3.05Å; E176-K179 PolarHBondContact O-N 3.38Å; E176-K179 IonicContact OE1-NZ 2.68Å; E176-K179 PolarHBondContact OE1-NZ 2.91Å; E176-L180 WeakPolarHBondContact O-CG 3.25Å; E176-L180 PolarHBondContact O-N 2.97Å
177L85.1Confident87.3Confident86 Ų86110.6 Ų110.645%0.4555%0.547SS..Hα-helixtrans-65.6-40.8174.6-75.2173.4000112V173 Q174 K179 L180 Q181V173-L177 HydrophobicContact CG1-CD1 3.99Å; V173-L177 HydrophobicContact CG1-CG 4.36Å; V173-L177 WeakPolarHBondContact O-CG 3.38Å; V173-L177 PolarHBondContact O-N 3.22Å; Q174-L177 PolarHBondContact O-N 2.98Å; L177-K179 VanDerWaalsContact C-N 3.35Å; L177-L180 PolarHBondContact O-N 3.44Å; L177-Q181 WeakPolarHBondContact O-CG 3.36Å; L177-Q181 PolarHBondContact O-N 3.11Å
178E89.1Confident86.9Confident94 Ų94113.7 Ų113.744%0.43956%0.556SS.*Hα-helixtrans-61.1-43.8175.8-74.4172-173.800111.2Q174 L180 Q181 E182Q174-E178 PolarHBondContact NE2-OE1 3.39Å; Q174-E178 WeakPolarHBondContact O-CG 3.4Å; Q174-E178 PolarHBondContact O-N 3.31Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 3.18Å; E178-Q181 PolarHBondContact O-N 2.61Å; E178-Q181 VanDerWaalsContact O-N 3.08Å; E178-E182 PolarHBondContact O-N 2.82Å
179K90.3Very high86.4Confident112 Ų112117.2 Ų117.249%0.48756%0.559SS.*Hα-helixtrans-58.5-39.3175.5-69.3170.2-163.91700112.8E175 E176 L177 Q181 E182E175-K179 WeakPolarHBondContact O-CG 3.46Å; E175-K179 PolarHBondContact O-N 2.97Å; E176-K179 PolarHBondContact O-N 3.38Å; E176-K179 IonicContact OE1-NZ 2.68Å; E176-K179 PolarHBondContact OE1-NZ 2.91Å; L177-K179 VanDerWaalsContact C-N 3.35Å; K179-Q181 VanDerWaalsContact C-N 3.29Å; K179-Q181 PolarHBondContact O-N 2.53Å; K179-E182 PolarHBondContact O-N 3.12Å
180L80.8Confident85.8Confident111 Ų111116.9 Ų116.958%0.58156%0.561SS**Hα-helixtrans-73.1-19.6179.1-69.4171.4000113.4E176 L177 E178E176-L180 WeakPolarHBondContact O-CG 3.25Å; E176-L180 PolarHBondContact O-N 2.97Å; L177-L180 PolarHBondContact O-N 3.44Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 3.18Å
181Q71.1Confident85Confident162 Ų162120.5 Ų120.576%0.75757%0.572SS**Hα-helixtrans-84.8-19.2175.8-72.8-178.5-10.400112.9L177 E178 K179L177-Q181 WeakPolarHBondContact O-CG 3.36Å; L177-Q181 PolarHBondContact O-N 3.11Å; E178-Q181 PolarHBondContact O-N 2.61Å; E178-Q181 VanDerWaalsContact O-N 3.08Å; K179-Q181 VanDerWaalsContact C-N 3.29Å; K179-Q181 PolarHBondContact O-N 2.53Å
182E69.1Low84.2Confident173 Ų173119.7 Ų119.781%0.80857%0.569SS**  trans-93.7-4.2177.9-65.4-177.2169.700113.6E178 K179E178-E182 PolarHBondContact O-N 2.82Å; K179-E182 PolarHBondContact O-N 3.12Å
183E53.6Low83.1Confident216 Ų216118.6 Ų118.6100%1.00957%0.569SS**  trans-86.20176.2-160.4175.6-158.300112.6

Retrieved 183 of 183 residues in 264.5 ms (Link to these results)

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