G4VBV1_SCHMA Loading...

40S ribosomal protein S30

AlphaFold DB , UniProt , Accession G4VBV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 135 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.7Confident90.2Very high62 Ų6273.5 Ų73.531%0.30535%0.353SS..  0145.50159.2-150.7169.900105.9V3 D14 T15 L57 S58M1-V3 HydrophobicContact CE-CG1 4.03Å; M1-D14 PolarHBondContact N-OD1 2.73Å; M1-D14 CarbonylContact O-C 3.59Å; M1-D14 WeakPolarHBondContact O-CA 3.42Å; M1-T15 HydrophobicContact CB-CG2 4.07Å; M1-T15 WeakPolarHBondContact CB-OG1 3.27Å; M1-T15 HydrophobicContact CG-CG2 4.14Å; M1-T15 PolarHBondContact N-OG1 3.38Å; M1-T15 WeakPolarHBondContact O-CB 3.38Å; M1-T15 VanDerWaalsContact O-CG2 3.28Å; M1-T15 WeakPolarHBondContact O-CG2 3.49Å; M1-T15 PolarHBondContact O-N 3.03Å; M1-T15 PolarHBondContact O-OG1 3.46Å; M1-T15 VanDerWaalsContact O-OG1 3.09Å; M1-T15 HydrophobicContact SD-CG2 3.86Å; M1-L57 HydrophobicContact CE-CB 4.17Å; M1-L57 WeakPolarHBondContact CE-O 3Å; M1-S58 WeakPolarHBondContact CE-O 3.42Å
2K88.2Confident90.4Very high133 Ų13374.2 Ų74.258%0.57837%0.365SS*.EExtended strand (participates in β ladder)trans-101.1137.4-175.7-65.3-177.1-178.7-177.50110.3V12 I13 S59K2-V12 HydrophobicContact CB-CG1 3.8Å; K2-V12 HydrophobicContact CD-CG1 3.84Å; K2-V12 HydrophobicContact CG-CG1 4.11Å; K2-I13 WeakPolarHBondContact CA-O 3.44Å; K2-S59 VanDerWaalsContact O-O 3.05Å
3V90.8Very high90.4Very high0 Ų069.5 Ų69.50%034%0.342CS..EExtended strand (participates in β ladder)trans-118.9142172.2-68.50000109.7M1 V5 I13 T15 L24 I63M1-V3 HydrophobicContact CE-CG1 4.03Å; V3-V5 HydrophobicContact CG2-CG2 4.21Å; V3-I13 HydrophobicContact CG2-CB 4.19Å; V3-I13 WeakPolarHBondContact CG2-O 3.43Å; V3-I13 PolarHBondContact N-O 2.72Å; V3-I13 PolarHBondContact O-N 3.33Å; V3-T15 HydrophobicContact CG1-CG2 3.92Å; V3-T15 HydrophobicContact CG2-CG2 4.5Å; V3-L24 HydrophobicContact CG2-CD1 4.5Å; V3-I63 HydrophobicContact CB-CD1 4.26Å; V3-I63 HydrophobicContact CG2-CD1 4.27Å
4F92.6Very high90.4Very high81 Ų8168.1 Ų68.136%0.35534%0.337SS..EExtended strand (participates in β ladder)trans-91.8119.5175.5-65.6-86.5000108.7T10 V12 T61 S62 I63F4-T10 HydrophobicContact CD1-CG2 4.46Å; F4-V12 HydrophobicContact CD1-CG2 3.77Å; F4-V12 HydrophobicContact CE1-CG2 3.61Å; F4-T61 PolarHBondContact N-O 3.26Å; F4-T61 VanDerWaalsContact N-O 3.15Å; F4-S62 CarbonylContact O-C 3.5Å; F4-S62 VanDerWaalsContact O-CA 3.29Å; F4-S62 WeakPolarHBondContact O-CA 2.98Å; F4-I63 PolarHBondContact O-N 3Å
5V93.6Very high90.3Very high1 Ų164 Ų641%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-110.6120.8-178.9-177.10000108.7V3 T10 R11 I13 L24 L28 I63 V65V3-V5 HydrophobicContact CG2-CG2 4.21Å; V5-T10 CarbonylContact O-C 3.6Å; V5-T10 WeakPolarHBondContact O-CA 3.19Å; V5-R11 PolarHBondContact N-O 2.97Å; V5-R11 PolarHBondContact O-N 3.35Å; V5-I13 HydrophobicContact CB-CD1 4.23Å; V5-I13 HydrophobicContact CG2-CB 4.4Å; V5-I13 HydrophobicContact CG2-CD1 3.82Å; V5-I13 HydrophobicContact CG2-CG1 4.38Å; V5-L24 HydrophobicContact CG2-CD1 3.81Å; V5-L28 HydrophobicContact CG1-CD1 3.96Å; V5-L28 HydrophobicContact CG1-CD2 4.09Å; V5-I63 WeakPolarHBondContact CA-O 3.5Å; V5-I63 HydrophobicContact CG2-CB 4.41Å; V5-V65 HydrophobicContact CG1-CG2 3.51Å
6K92.2Very high90.2Very high86 Ų8667.6 Ų67.637%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-103100179.7-65.9169.9178.8168.20108.5T10 S62 I63 D64 V65K6-T10 HydrophobicContact CG-CG2 4.35Å; K6-S62 PolarHBondContact NZ-OG 3.39Å; K6-I63 PolarHBondContact N-O 3.19Å; K6-D64 VanDerWaalsContact CD-OD1 3.27Å; K6-D64 WeakPolarHBondContact CD-OD1 3.28Å; K6-V65 PolarHBondContact O-N 3.5Å
7S89Confident90.1Very high33 Ų3371.4 Ų71.423%0.23136%0.36CS..SBendtrans-109.8-119.5169.3680000109.7D9 D32S7-D9 VanDerWaalsContact C-N 3.35Å; S7-D9 PolarHBondContact N-O 3.06Å; S7-D9 VanDerWaalsContact N-O 3.12Å; S7-D32 WeakPolarHBondContact CB-OD2 3.49Å; S7-D32 PolarHBondContact OG-OD2 3.24Å
8F88.1Confident90.1Very high149 Ų14967.8 Ų67.865%0.65434%0.342SS*.SBendtrans-68.4-37.2167.2-67.1-65.6000111.6D32 L34F8-D32 HydrophobicContact CD2-CB 3.88Å; F8-D32 HydrophobicContact CE2-CB 3.93Å; F8-L34 HydrophobicContact CE2-CD2 3.74Å; F8-L34 HydrophobicContact CE2-CG 4.36Å; F8-L34 HydrophobicContact CZ-CD2 3.94Å
9D90.7Very high90.1Very high106 Ų10667.7 Ų67.757%0.56735%0.346SS*.SBendtrans-124.2163.3174.1-63.7-48.4000109.8S7S7-D9 VanDerWaalsContact C-N 3.35Å; S7-D9 PolarHBondContact N-O 3.06Å; S7-D9 VanDerWaalsContact N-O 3.12Å
10T92.1Very high90.3Very high93 Ų9366.3 Ų66.357%0.57134%0.341SS*.EExtended strand (participates in β ladder)trans-86120.3169.8-56.90000109.6F4 V5 K6F4-T10 HydrophobicContact CD1-CG2 4.46Å; V5-T10 CarbonylContact O-C 3.6Å; V5-T10 WeakPolarHBondContact O-CA 3.19Å; K6-T10 HydrophobicContact CG-CG2 4.35Å
11R91.1Very high90.4Very high64 Ų6463.1 Ų63.124%0.24233%0.325CS..EExtended strand (participates in β ladder)trans-118.7146.9179.7-61.6179.4-179.3163.83.9110.2V5 D32V5-R11 PolarHBondContact N-O 2.97Å; V5-R11 PolarHBondContact O-N 3.35Å; R11-D32 IonicContact CZ-OD1 2.72Å; R11-D32 IonicContact NH1-OD1 3.55Å; R11-D32 PolarHBondContact NH1-OD1 3.19Å; R11-D32 IonicContact NH1-OD2 3.1Å; R11-D32 IonicContact NH2-OD1 2.73Å; R11-D32 PolarHBondContact NH2-OD1 2.9Å
12V92.1Very high90.9Very high82 Ų8261.7 Ų61.750%0.49732%0.323SS..EExtended strand (participates in β ladder)trans-100.9117.5172.5-173.60000107.6K2 F4K2-V12 HydrophobicContact CB-CG1 3.8Å; K2-V12 HydrophobicContact CD-CG1 3.84Å; K2-V12 HydrophobicContact CG-CG1 4.11Å; F4-V12 HydrophobicContact CD1-CG2 3.77Å; F4-V12 HydrophobicContact CE1-CG2 3.61Å
13I90.7Very high91.2Very high14 Ų1458.1 Ų58.17%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-112.3133.7179.4-70.5170.4000108.3K2 V3 V5 C18 L24 L27K2-I13 WeakPolarHBondContact CA-O 3.44Å; V3-I13 HydrophobicContact CG2-CB 4.19Å; V3-I13 WeakPolarHBondContact CG2-O 3.43Å; V3-I13 PolarHBondContact N-O 2.72Å; V3-I13 PolarHBondContact O-N 3.33Å; V5-I13 HydrophobicContact CB-CD1 4.23Å; V5-I13 HydrophobicContact CG2-CB 4.4Å; V5-I13 HydrophobicContact CG2-CD1 3.82Å; V5-I13 HydrophobicContact CG2-CG1 4.38Å; I13-C18 HydrophobicContact CG2-CB 4.34Å; I13-L24 HydrophobicContact CD1-CD1 4.49Å; I13-L27 HydrophobicContact CD1-CD2 4.09Å
14D90.4Very high91.4Very high49 Ų4958.1 Ų58.126%0.26231%0.31SS..EExtended strand (participates in β ladder)trans-80.8130.7171.4-158.2-16.2000109.3M1 N16 D17 C18M1-D14 PolarHBondContact N-OD1 2.73Å; M1-D14 CarbonylContact O-C 3.59Å; M1-D14 WeakPolarHBondContact O-CA 3.42Å; D14-N16 PolarHBondContact O-N 2.92Å; D14-N16 VanDerWaalsContact O-N 3.12Å; D14-N16 PolarHBondContact OD1-N 3.33Å; D14-D17 PolarHBondContact O-N 3.46Å; D14-D17 VanDerWaalsContact O-N 3.12Å; D14-C18 PolarHBondContact O-N 3.12Å
15T88.8Confident91.4Very high7 Ų755.3 Ų55.34%0.04330%0.298CS..THydrogen-bonded Turntrans-63.7-13.9176.860.80000112.7M1 V3 C18 P19 L54M1-T15 HydrophobicContact CB-CG2 4.07Å; M1-T15 WeakPolarHBondContact CB-OG1 3.27Å; M1-T15 HydrophobicContact CG-CG2 4.14Å; M1-T15 PolarHBondContact N-OG1 3.38Å; M1-T15 WeakPolarHBondContact O-CB 3.38Å; M1-T15 VanDerWaalsContact O-CG2 3.28Å; M1-T15 WeakPolarHBondContact O-CG2 3.49Å; M1-T15 PolarHBondContact O-N 3.03Å; M1-T15 PolarHBondContact O-OG1 3.46Å; M1-T15 VanDerWaalsContact O-OG1 3.09Å; M1-T15 HydrophobicContact SD-CG2 3.86Å; V3-T15 HydrophobicContact CG1-CG2 3.92Å; V3-T15 HydrophobicContact CG2-CG2 4.5Å; T15-C18 CarbonylContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-O 3.09Å; T15-P19 WeakPolarHBondContact O-CA 3.44Å; T15-L54 HydrophobicContact CG2-CB 3.84Å
16N88.8Confident91.5Very high122 Ų12259.1 Ų59.165%0.65232%0.317SS*.THydrogen-bonded Turntrans-74-34.6174.7-64.4-26.1000112D14D14-N16 PolarHBondContact O-N 2.92Å; D14-N16 VanDerWaalsContact O-N 3.12Å; D14-N16 PolarHBondContact OD1-N 3.33Å
17D89Confident91.5Very high132 Ų13256.8 Ų56.871%0.70631%0.309SS*.THydrogen-bonded Turntrans-79.8-27.7179.4-63.7-27.2000111.7D14D14-D17 PolarHBondContact O-N 3.46Å; D14-D17 VanDerWaalsContact O-N 3.12Å
18C89.7Confident91.7Very high6 Ų655.2 Ų55.24%0.04130%0.298CS..  trans-132.790.3177-65.90000108.5I13 D14 T15 T20 D23 L24 L27 L54I13-C18 HydrophobicContact CG2-CB 4.34Å; D14-C18 PolarHBondContact O-N 3.12Å; T15-C18 CarbonylContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-O 3.09Å; C18-T20 VanDerWaalsContact C-N 3.3Å; C18-T20 PolarHBondContact O-N 3.47Å; C18-D23 HydrophobicContact CB-CB 4.08Å; C18-L24 HydrophobicContact CB-CB 4.35Å; C18-L27 VanDerWaalsContact SG-CD1 3.52Å; C18-L54 HydrophobicContact CB-CD1 4.35Å; C18-L54 WeakPolarHBondContact O-CD1 3.35Å
19P90.3Very high92Very high66 Ų6648.8 Ų48.843%0.42927%0.272SS..  trans-69.3-30.8-177.425.3-32.2000112.4T15 D23 S53 L54T15-P19 WeakPolarHBondContact O-CA 3.44Å; P19-D23 VanDerWaalsContact CD-OD2 3.29Å; P19-D23 WeakPolarHBondContact CD-OD2 3.47Å; P19-D23 WeakPolarHBondContact CG-OD2 3.4Å; P19-S53 WeakPolarHBondContact O-CA 3.28Å; P19-S53 PolarHBondContact O-OG 3.14Å; P19-L54 PolarHBondContact O-N 3.36Å
20T93.8Very high92.1Very high40 Ų4049.5 Ų49.525%0.24528%0.276CS..BIsolated β-bridgetrans-117.5154.3-174.6-30.50000111.8C18 A22 D23 L24 D50 Q52C18-T20 VanDerWaalsContact C-N 3.3Å; C18-T20 PolarHBondContact O-N 3.47Å; T20-A22 PolarHBondContact O-N 2.83Å; T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 PolarHBondContact N-OD2 2.98Å; T20-D23 WeakPolarHBondContact O-CB 3.46Å; T20-D23 PolarHBondContact O-N 2.89Å; T20-D23 VanDerWaalsContact O-N 3.12Å; T20-D23 PolarHBondContact OG1-OD2 3.12Å; T20-L24 PolarHBondContact O-N 2.85Å; T20-D50 WeakPolarHBondContact CG2-O 3.39Å; T20-Q52 WeakPolarHBondContact CG2-O 3.27Å
21A93.7Very high92Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-54.8-38.5171.500000112.7D23 L24 K25 L41 I48 S49 Q52 L54A21-D23 VanDerWaalsContact C-N 3.35Å; A21-D23 PolarHBondContact O-N 2.87Å; A21-L24 WeakPolarHBondContact O-CB 3.48Å; A21-L24 PolarHBondContact O-N 2.82Å; A21-K25 WeakPolarHBondContact O-CG 3.29Å; A21-K25 PolarHBondContact O-N 2.85Å; A21-L41 HydrophobicContact CB-CD1 4.09Å; A21-I48 HydrophobicContact CB-CG2 3.49Å; A21-I48 VanDerWaalsContact CB-CG2 3.49Å; A21-S49 VanDerWaalsContact CB-O 3.28Å; A21-S49 WeakPolarHBondContact CB-O 3.47Å; A21-Q52 PolarHBondContact N-O 3.28Å; A21-L54 HydrophobicContact CB-CD2 4.31Å
22A94.2Very high92Very high32 Ų3249 Ų4926%0.26427%0.268SS..Hα-helixtrans-57.5-43.5174.600000113.1T20 L24 K25 I26 D50T20-A22 PolarHBondContact O-N 2.83Å; A22-L24 VanDerWaalsContact C-N 3.29Å; A22-L24 PolarHBondContact O-N 3.38Å; A22-K25 WeakPolarHBondContact O-CB 3.48Å; A22-K25 PolarHBondContact O-N 2.94Å; A22-K25 VanDerWaalsContact O-N 3.15Å; A22-I26 WeakPolarHBondContact O-CG1 3.35Å; A22-I26 PolarHBondContact O-N 3.39Å; A22-D50 HydrophobicContact CB-CB 4.28Å; A22-D50 WeakPolarHBondContact CB-O 3.04Å; A22-D50 PolarHBondContact N-O 2.88Å; A22-D50 VanDerWaalsContact N-O 3.16Å
23D94.1Very high92Very high57 Ų5752 Ų5231%0.30528%0.282SS..Hα-helixtrans-63.7-40.5179.3-53.9-45000110.7C18 P19 T20 A21 I26 L27C18-D23 HydrophobicContact CB-CB 4.08Å; P19-D23 VanDerWaalsContact CD-OD2 3.29Å; P19-D23 WeakPolarHBondContact CD-OD2 3.47Å; P19-D23 WeakPolarHBondContact CG-OD2 3.4Å; T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 PolarHBondContact N-OD2 2.98Å; T20-D23 WeakPolarHBondContact O-CB 3.46Å; T20-D23 PolarHBondContact O-N 2.89Å; T20-D23 VanDerWaalsContact O-N 3.12Å; T20-D23 PolarHBondContact OG1-OD2 3.12Å; A21-D23 VanDerWaalsContact C-N 3.35Å; A21-D23 PolarHBondContact O-N 2.87Å; D23-I26 PolarHBondContact O-N 2.65Å; D23-L27 WeakPolarHBondContact O-CB 3.36Å; D23-L27 PolarHBondContact O-N 2.81Å
24L93.4Very high91.9Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-65-39.6174.6-175.3152.7000111.8V3 V5 I13 C18 T20 A21 A22 L27 L28 L41 L54 I63V3-L24 HydrophobicContact CG2-CD1 4.5Å; V5-L24 HydrophobicContact CG2-CD1 3.81Å; I13-L24 HydrophobicContact CD1-CD1 4.49Å; C18-L24 HydrophobicContact CB-CB 4.35Å; T20-L24 PolarHBondContact O-N 2.85Å; A21-L24 WeakPolarHBondContact O-CB 3.48Å; A21-L24 PolarHBondContact O-N 2.82Å; A22-L24 VanDerWaalsContact C-N 3.29Å; A22-L24 PolarHBondContact O-N 3.38Å; L24-L27 PolarHBondContact O-N 2.99Å; L24-L28 HydrophobicContact CD2-CD1 3.41Å; L24-L28 VanDerWaalsContact CD2-CD1 3.41Å; L24-L28 HydrophobicContact CD2-CG 4.13Å; L24-L28 HydrophobicContact CG-CD1 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.25Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.03Å; L24-L41 HydrophobicContact CD2-CD1 3.53Å; L24-L41 HydrophobicContact CD2-CD2 3.55Å; L24-L41 HydrophobicContact CD2-CG 4.18Å; L24-L54 HydrophobicContact CB-CD1 3.84Å; L24-L54 HydrophobicContact CD1-CD1 3.37Å; L24-L54 HydrophobicContact CD1-CD2 4.45Å; L24-L54 HydrophobicContact CG-CD1 4.26Å; L24-I63 HydrophobicContact CD1-CD1 4.11Å
25K94.5Very high91.9Very high23 Ų2353.6 Ų53.610%0.129%0.294CS..Hα-helixtrans-60.9-44.8173.8-66.7-163177176.20111.9A21 A22 L28 A29 L36 L39 L41 D50A21-K25 WeakPolarHBondContact O-CG 3.29Å; A21-K25 PolarHBondContact O-N 2.85Å; A22-K25 WeakPolarHBondContact O-CB 3.48Å; A22-K25 PolarHBondContact O-N 2.94Å; A22-K25 VanDerWaalsContact O-N 3.15Å; K25-L28 PolarHBondContact O-N 3.43Å; K25-A29 VanDerWaalsContact O-CB 3.27Å; K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 3.31Å; K25-L36 HydrophobicContact CB-CD1 3.94Å; K25-L39 HydrophobicContact CB-CD2 3.76Å; K25-L39 HydrophobicContact CD-CD2 3.93Å; K25-L39 WeakPolarHBondContact CE-O 3.27Å; K25-L39 HydrophobicContact CG-CD2 3.49Å; K25-L39 VanDerWaalsContact CG-CD2 3.49Å; K25-L39 PolarHBondContact NZ-O 2.95Å; K25-L41 HydrophobicContact CD-CD1 4.4Å; K25-L41 HydrophobicContact CG-CD1 3.55Å; K25-L41 HydrophobicContact CG-CG 3.94Å; K25-D50 WeakPolarHBondContact CD-OD1 3.47Å; K25-D50 WeakPolarHBondContact CE-OD1 3.17Å; K25-D50 IonicContact NZ-OD1 2.62Å; K25-D50 PolarHBondContact NZ-OD1 2.96Å; K25-D50 IonicContact NZ-OD2 3.91Å
26I94.1Very high92Very high80 Ų8057.1 Ų57.141%0.4131%0.312SS..Hα-helixtrans-63.3-44.9178.3-66.3165.7000110.5A22 D23 L28 A29 N30 L36A22-I26 WeakPolarHBondContact O-CG1 3.35Å; A22-I26 PolarHBondContact O-N 3.39Å; D23-I26 PolarHBondContact O-N 2.65Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.12Å; I26-A29 PolarHBondContact O-N 3.15Å; I26-N30 WeakPolarHBondContact O-CB 3.49Å; I26-N30 PolarHBondContact O-N 3.42Å; I26-N30 PolarHBondContact O-ND2 3.29Å; I26-L36 HydrophobicContact CG1-CD1 4.05Å; I26-L36 HydrophobicContact CG1-CD2 4.41Å
27L93Very high92.1Very high38 Ų3859.1 Ų59.120%0.19932%0.322CS..Hα-helixtrans-59.1-47177.1-177.1158.3000111.2I13 C18 D23 L24 N30 K31I13-L27 HydrophobicContact CD1-CD2 4.09Å; C18-L27 VanDerWaalsContact SG-CD1 3.52Å; D23-L27 WeakPolarHBondContact O-CB 3.36Å; D23-L27 PolarHBondContact O-N 2.81Å; L24-L27 PolarHBondContact O-N 2.99Å; L27-N30 PolarHBondContact O-N 3.12Å; L27-K31 HydrophobicContact CD2-CD 3.68Å; L27-K31 HydrophobicContact CD2-CG 4.24Å; L27-K31 HydrophobicContact CG-CD 4.42Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 WeakPolarHBondContact O-CG 3.28Å; L27-K31 PolarHBondContact O-N 3.17Å
28L93.3Very high92.1Very high0 Ų054.7 Ų54.70%030%0.302CS..Hα-helixtrans-67.6-41.8178.9-70.8175.2000112.4V5 L24 K25 I26 N30 K31 D32 L39 L41 V65V5-L28 HydrophobicContact CG1-CD1 3.96Å; V5-L28 HydrophobicContact CG1-CD2 4.09Å; L24-L28 HydrophobicContact CD2-CD1 3.41Å; L24-L28 VanDerWaalsContact CD2-CD1 3.41Å; L24-L28 HydrophobicContact CD2-CG 4.13Å; L24-L28 HydrophobicContact CG-CD1 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.25Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.03Å; K25-L28 PolarHBondContact O-N 3.43Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.12Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 PolarHBondContact O-N 3.44Å; L28-K31 PolarHBondContact O-N 3.25Å; L28-D32 WeakPolarHBondContact O-CB 3.36Å; L28-D32 PolarHBondContact O-N 3.03Å; L28-L39 HydrophobicContact CB-CD1 4.5Å; L28-L39 HydrophobicContact CD1-CD2 4.44Å; L28-L41 HydrophobicContact CD1-CD2 4.04Å; L28-V65 HydrophobicContact CD1-CB 4.31Å; L28-V65 HydrophobicContact CD1-CG1 3.93Å; L28-V65 HydrophobicContact CD1-CG2 3.37Å
29A93.4Very high92.2Very high13 Ų1354.5 Ų54.511%0.10730%0.3CS..Hα-helixtrans-56.8-44.1176.300000111.2K25 I26 N33 L34 L36K25-A29 VanDerWaalsContact O-CB 3.27Å; K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 3.31Å; I26-A29 PolarHBondContact O-N 3.15Å; A29-N33 WeakPolarHBondContact O-CA 3.38Å; A29-N33 PolarHBondContact O-N 3.24Å; A29-L34 WeakPolarHBondContact CA-O 3.29Å; A29-L34 WeakPolarHBondContact CB-O 3.29Å; A29-L34 PolarHBondContact O-N 3.47Å; A29-L36 HydrophobicContact CB-CB 4.17Å; A29-L36 HydrophobicContact CB-CD1 4.11Å
30N92.7Very high92.4Very high121 Ų12154.4 Ų54.465%0.64729%0.294SS*.Hα-helixtrans-72.5-40.6178.9-69.8-27.2000113.5I26 L27 L28I26-N30 WeakPolarHBondContact O-CB 3.49Å; I26-N30 PolarHBondContact O-N 3.42Å; I26-N30 PolarHBondContact O-ND2 3.29Å; L27-N30 PolarHBondContact O-N 3.12Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 PolarHBondContact O-N 3.44Å
31K91.7Very high92.4Very high130 Ų13052.5 Ų52.557%0.56528%0.283SS*.Hα-helixtrans-75.8-41.3-178.1-75-168-178.11790113L27 L28L27-K31 HydrophobicContact CD2-CD 3.68Å; L27-K31 HydrophobicContact CD2-CG 4.24Å; L27-K31 HydrophobicContact CG-CD 4.42Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 WeakPolarHBondContact O-CG 3.28Å; L27-K31 PolarHBondContact O-N 3.17Å; L28-K31 PolarHBondContact O-N 3.25Å
32D90.7Very high92.5Very high17 Ų1755.5 Ų55.59%0.09130%0.295CS..Hα-helixtrans-103.84.1-171-64.7-10.5000112.4S7 F8 R11 L28 L34S7-D32 WeakPolarHBondContact CB-OD2 3.49Å; S7-D32 PolarHBondContact OG-OD2 3.24Å; F8-D32 HydrophobicContact CD2-CB 3.88Å; F8-D32 HydrophobicContact CE2-CB 3.93Å; R11-D32 IonicContact CZ-OD1 2.72Å; R11-D32 IonicContact NH1-OD1 3.55Å; R11-D32 PolarHBondContact NH1-OD1 3.19Å; R11-D32 IonicContact NH1-OD2 3.1Å; R11-D32 IonicContact NH2-OD1 2.73Å; R11-D32 PolarHBondContact NH2-OD1 2.9Å; L28-D32 WeakPolarHBondContact O-CB 3.36Å; L28-D32 PolarHBondContact O-N 3.03Å; D32-L34 VanDerWaalsContact C-N 3.25Å; D32-L34 HydrophobicContact CB-CD1 3.82Å; D32-L34 HydrophobicContact CB-CG 3.74Å; D32-L34 PolarHBondContact O-N 3.26Å
33N90.8Very high92.3Very high146 Ų14655.4 Ų55.478%0.78129%0.289SS*.THydrogen-bonded Turntrans52.341.7-175.3-64.3-61.9000112.9A29A29-N33 WeakPolarHBondContact O-CA 3.38Å; A29-N33 PolarHBondContact O-N 3.24Å
34L89.4Confident92Very high29 Ų2958.4 Ų58.415%0.15231%0.313CS..  trans-91.7145.7-179.4-61.4174.5000111F8 A29 D32 L36 L39 V65 V67F8-L34 HydrophobicContact CE2-CD2 3.74Å; F8-L34 HydrophobicContact CE2-CG 4.36Å; F8-L34 HydrophobicContact CZ-CD2 3.94Å; A29-L34 WeakPolarHBondContact CA-O 3.29Å; A29-L34 WeakPolarHBondContact CB-O 3.29Å; A29-L34 PolarHBondContact O-N 3.47Å; D32-L34 VanDerWaalsContact C-N 3.25Å; D32-L34 HydrophobicContact CB-CD1 3.82Å; D32-L34 HydrophobicContact CB-CG 3.74Å; D32-L34 PolarHBondContact O-N 3.26Å; L34-L36 PolarHBondContact O-N 3.09Å; L34-L36 VanDerWaalsContact O-N 3.14Å; L34-L39 HydrophobicContact CB-CD1 3.55Å; L34-L39 HydrophobicContact CD1-CD1 3.51Å; L34-L39 HydrophobicContact CG-CD1 4.17Å; L34-V65 HydrophobicContact CD1-CG1 4.11Å; L34-V67 HydrophobicContact CB-CG2 4.22Å; L34-V67 HydrophobicContact CD1-CG2 4.23Å; L34-V67 HydrophobicContact CD2-CG2 4Å; L34-V67 HydrophobicContact CG-CG2 4.37Å
35P90.9Very high91.8Very high66 Ų6661.4 Ų61.443%0.42935%0.345SS..  trans-68.3112.3177.327.6-33.9000110.7D37 S38 L39 V67P35-D37 VanDerWaalsContact C-N 3.27Å; P35-D37 PolarHBondContact O-N 2.87Å; P35-S38 PolarHBondContact O-N 3.15Å; P35-S38 VanDerWaalsContact O-N 3.17Å; P35-L39 PolarHBondContact O-N 2.96Å; P35-V67 HydrophobicContact CG-CG1 3.61Å
36L90.9Very high91.6Very high82 Ų8264.2 Ų64.243%0.42937%0.367SS..G310 helixtrans-52.7-44.7-177.5-177.663.4000112.3K25 I26 A29 L34 S38 L39K25-L36 HydrophobicContact CB-CD1 3.94Å; I26-L36 HydrophobicContact CG1-CD1 4.05Å; I26-L36 HydrophobicContact CG1-CD2 4.41Å; A29-L36 HydrophobicContact CB-CB 4.17Å; A29-L36 HydrophobicContact CB-CD1 4.11Å; L34-L36 PolarHBondContact O-N 3.09Å; L34-L36 VanDerWaalsContact O-N 3.14Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.42Å; L36-L39 PolarHBondContact O-N 2.78Å
37D89.5Confident91.6Very high163 Ų16364.8 Ų64.887%0.87237%0.37SS*.G310 helixtrans-65.6-28.1-175.2-64.1-10.1000113.7P35P35-D37 VanDerWaalsContact C-N 3.27Å; P35-D37 PolarHBondContact O-N 2.87Å
38S89.8Confident91.6Very high39 Ų3963.1 Ų63.127%0.27336%0.362SS..G310 helixtrans-99.3-7.8-178.4-580000112.6P35 L36 Q40 P68P35-S38 PolarHBondContact O-N 3.15Å; P35-S38 VanDerWaalsContact O-N 3.17Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.42Å; S38-Q40 PolarHBondContact O-N 3.39Å; S38-P68 WeakPolarHBondContact O-CD 3.41Å
39L92.9Very high91.6Very high2 Ų266 Ų661%0.0138%0.382CS..  trans-73.6124.4-172.1-163.7126.8000111.2K25 L28 L34 P35 L36 L41 V65 V67K25-L39 HydrophobicContact CB-CD2 3.76Å; K25-L39 HydrophobicContact CD-CD2 3.93Å; K25-L39 WeakPolarHBondContact CE-O 3.27Å; K25-L39 HydrophobicContact CG-CD2 3.49Å; K25-L39 VanDerWaalsContact CG-CD2 3.49Å; K25-L39 PolarHBondContact NZ-O 2.95Å; L28-L39 HydrophobicContact CB-CD1 4.5Å; L28-L39 HydrophobicContact CD1-CD2 4.44Å; L34-L39 HydrophobicContact CB-CD1 3.55Å; L34-L39 HydrophobicContact CD1-CD1 3.51Å; L34-L39 HydrophobicContact CG-CD1 4.17Å; P35-L39 PolarHBondContact O-N 2.96Å; L36-L39 PolarHBondContact O-N 2.78Å; L39-L41 HydrophobicContact CD2-CD2 3.91Å; L39-L41 HydrophobicContact CD2-CG 4.26Å; L39-V65 HydrophobicContact CD1-CG1 3.84Å; L39-V65 HydrophobicContact CD2-CG1 4.18Å; L39-V65 HydrophobicContact CG-CG1 4.01Å; L39-V67 HydrophobicContact CD1-CG2 4.09Å; L39-V67 HydrophobicContact CG-CG2 4.45Å
40Q93.7Very high91.6Very high65 Ų6569.5 Ų69.530%0.30440%0.399SS..EExtended strand (participates in β ladder)trans-118.2139.5179.7-65.4177.2-16.600109.6S38 Y42 L47 V66S38-Q40 PolarHBondContact O-N 3.39Å; Q40-Y42 HydrophobicContact CB-CD2 4.33Å; Q40-Y42 HydrophobicContact CB-CE2 3.69Å; Q40-Y42 PolarHBondContact OE1-OH 2.76Å; Q40-L47 HydrophobicContact CB-CD1 3.99Å; Q40-L47 HydrophobicContact CG-CD1 4.33Å; Q40-V66 PolarHBondContact N-O 3.48Å; Q40-V66 PolarHBondContact O-N 2.82Å
41L94.4Very high91.5Very high0 Ų068.6 Ų68.60%040%0.402CS..EExtended strand (participates in β ladder)trans-114.7128.6179.3-62.3175.2000108.4A21 L24 K25 L28 L39 I48 I63 V65A21-L41 HydrophobicContact CB-CD1 4.09Å; L24-L41 HydrophobicContact CD2-CD1 3.53Å; L24-L41 HydrophobicContact CD2-CD2 3.55Å; L24-L41 HydrophobicContact CD2-CG 4.18Å; K25-L41 HydrophobicContact CD-CD1 4.4Å; K25-L41 HydrophobicContact CG-CD1 3.55Å; K25-L41 HydrophobicContact CG-CG 3.94Å; L28-L41 HydrophobicContact CD1-CD2 4.04Å; L39-L41 HydrophobicContact CD2-CD2 3.91Å; L39-L41 HydrophobicContact CD2-CG 4.26Å; L41-I48 HydrophobicContact CB-CB 4.1Å; L41-I48 HydrophobicContact CB-CD1 4.31Å; L41-I48 PolarHBondContact O-N 3.44Å; L41-I63 HydrophobicContact CB-CG2 4.02Å; L41-I63 HydrophobicContact CD2-CG2 3.98Å; L41-I63 HydrophobicContact CG-CG2 4.47Å; L41-V65 HydrophobicContact CD2-CB 4.47Å; L41-V65 HydrophobicContact CD2-CG1 4.39Å; L41-V65 HydrophobicContact CD2-CG2 3.89Å
42Y94.2Very high91.5Very high63 Ų6365.2 Ų65.225%0.24739%0.388CS..EExtended strand (participates in β ladder)trans-120140.2179.8-73-90.4000110.9Q40 S46 L47 I63 D64 V66Q40-Y42 HydrophobicContact CB-CD2 4.33Å; Q40-Y42 HydrophobicContact CB-CE2 3.69Å; Q40-Y42 PolarHBondContact OE1-OH 2.76Å; Y42-S46 CarbonylContact C-O 3.53Å; Y42-S46 VanDerWaalsContact CA-O 3.28Å; Y42-S46 WeakPolarHBondContact CA-O 3.38Å; Y42-L47 HydrophobicContact CD1-CB 4.33Å; Y42-L47 HydrophobicContact CE1-CB 3.95Å; Y42-L47 HydrophobicContact CE1-CD1 4.08Å; Y42-L47 HydrophobicContact CE2-CD1 4.05Å; Y42-I63 CarbonylContact O-C 3.51Å; Y42-I63 VanDerWaalsContact O-CA 3.29Å; Y42-I63 WeakPolarHBondContact O-CA 3.28Å; Y42-D64 PolarHBondContact N-O 3.16Å; Y42-D64 PolarHBondContact O-N 3.14Å; Y42-V66 HydrophobicContact CD2-CB 4.17Å; Y42-V66 HydrophobicContact CD2-CG2 3.8Å; Y42-V66 HydrophobicContact CE2-CB 4.11Å; Y42-V66 HydrophobicContact CE2-CG2 4.13Å
43N91.9Very high91.6Very high29 Ų2967 Ų6716%0.15540%0.402CS..EExtended strand (participates in β ladder)trans-121.5120165.617513.2000108.5G45 S46 I48 L57 T61N43-G45 PolarHBondContact O-N 2.94Å; N43-G45 VanDerWaalsContact O-N 3.1Å; N43-S46 PolarHBondContact N-O 2.99Å; N43-S46 WeakPolarHBondContact O-CB 3.08Å; N43-S46 PolarHBondContact O-N 3.38Å; N43-I48 HydrophobicContact CB-CD1 3.75Å; N43-I48 HydrophobicContact CB-CG1 4.07Å; N43-L57 WeakPolarHBondContact ND2-CD2 3.24Å; N43-T61 HydrophobicContact CB-CG2 4.12Å; N43-T61 WeakPolarHBondContact ND2-CG2 3.24Å; N43-T61 WeakPolarHBondContact OD1-CG2 3.07Å
44C87.6Confident91.5Very high120 Ų12060 Ų6081%0.81137%0.365SS*.THydrogen-bonded Turntrans49.637.9-180-67.40000113.3S46C44-S46 VanDerWaalsContact C-N 3.29Å; C44-S46 PolarHBondContact O-N 3.47Å
45G88.2Confident91.5Very high64 Ų6461.5 Ų61.566%0.6638%0.381SS*.THydrogen-bonded Turntrans80.9-4.6-177.900000115.7N43N43-G45 PolarHBondContact O-N 2.94Å; N43-G45 VanDerWaalsContact O-N 3.1Å
46S90.9Very high91.4Very high81 Ų8162.3 Ų62.357%0.56639%0.388SS*.EExtended strand (participates in β ladder)trans-91133.9172.8-171.20000111.1Y42 N43 C44 I48Y42-S46 CarbonylContact C-O 3.53Å; Y42-S46 VanDerWaalsContact CA-O 3.28Å; Y42-S46 WeakPolarHBondContact CA-O 3.38Å; N43-S46 PolarHBondContact N-O 2.99Å; N43-S46 WeakPolarHBondContact O-CB 3.08Å; N43-S46 PolarHBondContact O-N 3.38Å; C44-S46 VanDerWaalsContact C-N 3.29Å; C44-S46 PolarHBondContact O-N 3.47Å; S46-I48 PolarHBondContact O-N 2.62Å
47L93.7Very high91.1Very high92 Ų9259.2 Ų59.248%0.48237%0.372SS..EExtended strand (participates in β ladder)trans-70.8127.1176.4-177.570.5000110Q40 Y42Q40-L47 HydrophobicContact CB-CD1 3.99Å; Q40-L47 HydrophobicContact CG-CD1 4.33Å; Y42-L47 HydrophobicContact CD1-CB 4.33Å; Y42-L47 HydrophobicContact CE1-CB 3.95Å; Y42-L47 HydrophobicContact CE1-CD1 4.08Å; Y42-L47 HydrophobicContact CE2-CD1 4.05Å
48I93.6Very high90.9Very high4 Ų455.3 Ų55.32%0.02136%0.357CS..PPolyproline II helixtrans-84.1124.4172.9-64.1165.8000108.1A21 L41 N43 S46 Q52 L57 I63A21-I48 HydrophobicContact CB-CG2 3.49Å; A21-I48 VanDerWaalsContact CB-CG2 3.49Å; L41-I48 HydrophobicContact CB-CB 4.1Å; L41-I48 HydrophobicContact CB-CD1 4.31Å; L41-I48 PolarHBondContact O-N 3.44Å; N43-I48 HydrophobicContact CB-CD1 3.75Å; N43-I48 HydrophobicContact CB-CG1 4.07Å; S46-I48 PolarHBondContact O-N 2.62Å; I48-Q52 HydrophobicContact CG2-CB 3.95Å; I48-Q52 HydrophobicContact CG2-CG 4.37Å; I48-L57 HydrophobicContact CD1-CD1 4.34Å; I48-I63 HydrophobicContact CD1-CD1 4.21Å; I48-I63 HydrophobicContact CD1-CG1 4.04Å; I48-I63 HydrophobicContact CD1-CG2 4.05Å
49S93.2Very high90.3Very high61 Ų6157.1 Ų57.143%0.42737%0.37SS..PPolyproline II helixtrans-76.6152.4176.461.20000111.5A21 S51 Q52A21-S49 VanDerWaalsContact CB-O 3.28Å; A21-S49 WeakPolarHBondContact CB-O 3.47Å; S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.14Å; S49-Q52 VanDerWaalsContact O-CB 3.28Å; S49-Q52 WeakPolarHBondContact O-CB 3.41Å; S49-Q52 PolarHBondContact O-N 3.33Å
50D92.6Very high89.8Confident85 Ų8563.4 Ų63.446%0.45540%0.404SS..THydrogen-bonded Turntrans-61.6-26.3-175.2-67.4-21.3000113.7T20 A22 K25T20-D50 WeakPolarHBondContact CG2-O 3.39Å; A22-D50 HydrophobicContact CB-CB 4.28Å; A22-D50 WeakPolarHBondContact CB-O 3.04Å; A22-D50 PolarHBondContact N-O 2.88Å; A22-D50 VanDerWaalsContact N-O 3.16Å; K25-D50 WeakPolarHBondContact CD-OD1 3.47Å; K25-D50 WeakPolarHBondContact CE-OD1 3.17Å; K25-D50 IonicContact NZ-OD1 2.62Å; K25-D50 PolarHBondContact NZ-OD1 2.96Å; K25-D50 IonicContact NZ-OD2 3.91Å
51S91.8Very high89.4Confident103 Ų10360.5 Ų60.572%0.7239%0.39SS*.THydrogen-bonded Turntrans-87.2-4.3178.362.30000114S49 S53S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.14Å; S51-S53 PolarHBondContact O-N 3.36Å
52Q91.9Very high89.2Confident59 Ų5962 Ų6228%0.27640%0.401SS..  trans-74.6129.4-175.4-171.4170.5-3.700110.7T20 A21 I48 S49T20-Q52 WeakPolarHBondContact CG2-O 3.27Å; A21-Q52 PolarHBondContact N-O 3.28Å; I48-Q52 HydrophobicContact CG2-CB 3.95Å; I48-Q52 HydrophobicContact CG2-CG 4.37Å; S49-Q52 VanDerWaalsContact O-CB 3.28Å; S49-Q52 WeakPolarHBondContact O-CB 3.41Å; S49-Q52 PolarHBondContact O-N 3.33Å
53S92.3Very high89.2Confident54 Ų5459 Ų5938%0.37839%0.389SS..BIsolated β-bridgetrans-70.7128.9174.1-176.30000110.4P19 S51 A55 S56P19-S53 WeakPolarHBondContact O-CA 3.28Å; P19-S53 PolarHBondContact O-OG 3.14Å; S51-S53 PolarHBondContact O-N 3.36Å; S53-A55 PolarHBondContact O-N 3.27Å; S53-A55 PolarHBondContact OG-N 2.88Å; S53-S56 PolarHBondContact O-N 3.38Å; S53-S56 VanDerWaalsContact O-N 3.17Å; S53-S56 PolarHBondContact O-OG 2.87Å
54L89.2Confident89.3Confident0 Ų060.4 Ų60.40%040%0.397CS..G310 helixtrans-69.4-23.1178-63.3-179.4000112.2T15 C18 P19 A21 L24 S56 L57 I63T15-L54 HydrophobicContact CG2-CB 3.84Å; C18-L54 HydrophobicContact CB-CD1 4.35Å; C18-L54 WeakPolarHBondContact O-CD1 3.35Å; P19-L54 PolarHBondContact O-N 3.36Å; A21-L54 HydrophobicContact CB-CD2 4.31Å; L24-L54 HydrophobicContact CB-CD1 3.84Å; L24-L54 HydrophobicContact CD1-CD1 3.37Å; L24-L54 HydrophobicContact CD1-CD2 4.45Å; L24-L54 HydrophobicContact CG-CD1 4.26Å; L54-S56 PolarHBondContact O-N 2.83Å; L54-L57 HydrophobicContact CB-CD1 4.42Å; L54-L57 HydrophobicContact CD2-CD1 3.69Å; L54-L57 WeakPolarHBondContact O-CB 3.39Å; L54-L57 PolarHBondContact O-N 2.72Å; L54-I63 HydrophobicContact CD2-CD1 3.85Å
55A88.7Confident89.6Confident59 Ų5955.8 Ų55.849%0.48837%0.365SS..G310 helixtrans-69.4-18.2174.900000113.3S53 L57S53-A55 PolarHBondContact O-N 3.27Å; S53-A55 PolarHBondContact OG-N 2.88Å; A55-L57 VanDerWaalsContact C-N 3.26Å
56S88.6Confident89.8Confident83 Ų8355.6 Ų55.658%0.5835%0.351SS*.G310 helixtrans-81.1-8.2176.483.90000113S53 L54S53-S56 PolarHBondContact O-N 3.38Å; S53-S56 VanDerWaalsContact O-N 3.17Å; S53-S56 PolarHBondContact O-OG 2.87Å; L54-S56 PolarHBondContact O-N 2.83Å
57L85.5Confident89.8Confident18 Ų1854.4 Ų54.49%0.09434%0.34CS..SBendtrans-79.3163.4176.7-60.6165.4000109.5M1 N43 I48 L54 A55 T61 I63M1-L57 HydrophobicContact CE-CB 4.17Å; M1-L57 WeakPolarHBondContact CE-O 3Å; N43-L57 WeakPolarHBondContact ND2-CD2 3.24Å; I48-L57 HydrophobicContact CD1-CD1 4.34Å; L54-L57 HydrophobicContact CB-CD1 4.42Å; L54-L57 HydrophobicContact CD2-CD1 3.69Å; L54-L57 WeakPolarHBondContact O-CB 3.39Å; L54-L57 PolarHBondContact O-N 2.72Å; A55-L57 VanDerWaalsContact C-N 3.26Å; L57-T61 HydrophobicContact CB-CG2 4.25Å; L57-T61 HydrophobicContact CD1-CG2 4.3Å; L57-I63 HydrophobicContact CD1-CD1 4.06Å
58S84.4Confident89.5Confident80 Ų8052.7 Ų52.756%0.55933%0.334SS*.  trans-72.5150.9175.256.50000110.9M1 D60 T61M1-S58 WeakPolarHBondContact CE-O 3.42Å; S58-D60 PolarHBondContact O-N 3.13Å; S58-T61 PolarHBondContact N-OG1 2.98Å; S58-T61 VanDerWaalsContact N-OG1 3.13Å; S58-T61 VanDerWaalsContact O-CB 3.24Å; S58-T61 WeakPolarHBondContact O-CB 3.43Å; S58-T61 PolarHBondContact O-N 2.9Å; S58-T61 PolarHBondContact O-OG1 3.03Å; S58-T61 PolarHBondContact OG-OG1 3.19Å
59S77.2Confident88.8Confident78 Ų7856.7 Ų56.755%0.54537%0.368SS..THydrogen-bonded Turntrans-57.3-23.5-174500000114.8K2K2-S59 VanDerWaalsContact O-O 3.05Å
60D81.8Confident87.9Confident133 Ų13361.9 Ų61.971%0.71139%0.39SS*.THydrogen-bonded Turntrans-108.523.6-179.2-57.5-33.5000112.2S58 S62S58-D60 PolarHBondContact O-N 3.13Å; D60-S62 PolarHBondContact O-N 2.86Å
61T85.8Confident86.8Confident4 Ų461.5 Ų61.53%0.02541%0.406CS..PPolyproline II helixtrans-66.5128.4179.7-65.50000111F4 N43 L57 S58 I63F4-T61 PolarHBondContact N-O 3.26Å; F4-T61 VanDerWaalsContact N-O 3.15Å; N43-T61 HydrophobicContact CB-CG2 4.12Å; N43-T61 WeakPolarHBondContact ND2-CG2 3.24Å; N43-T61 WeakPolarHBondContact OD1-CG2 3.07Å; L57-T61 HydrophobicContact CB-CG2 4.25Å; L57-T61 HydrophobicContact CD1-CG2 4.3Å; S58-T61 PolarHBondContact N-OG1 2.98Å; S58-T61 VanDerWaalsContact N-OG1 3.13Å; S58-T61 VanDerWaalsContact O-CB 3.24Å; S58-T61 WeakPolarHBondContact O-CB 3.43Å; S58-T61 PolarHBondContact O-N 2.9Å; S58-T61 PolarHBondContact O-OG1 3.03Å; S58-T61 PolarHBondContact OG-OG1 3.19Å; T61-I63 HydrophobicContact CG2-CG1 4.04Å
62S91.2Very high85.6Confident32 Ų3259.5 Ų59.522%0.22440%0.401CS..EExtended strand (participates in β ladder)trans-99120.5164.769.60000110.9F4 K6 D60F4-S62 CarbonylContact O-C 3.5Å; F4-S62 VanDerWaalsContact O-CA 3.29Å; F4-S62 WeakPolarHBondContact O-CA 2.98Å; K6-S62 PolarHBondContact NZ-OG 3.39Å; D60-S62 PolarHBondContact O-N 2.86Å
63I93.8Very high84.5Confident0 Ų067.4 Ų67.40%044%0.435CS..EExtended strand (participates in β ladder)trans-96.3120.4176.8-58.1175.6000108.5V3 F4 V5 K6 L24 L41 Y42 I48 L54 L57 T61V3-I63 HydrophobicContact CB-CD1 4.26Å; V3-I63 HydrophobicContact CG2-CD1 4.27Å; F4-I63 PolarHBondContact O-N 3Å; V5-I63 WeakPolarHBondContact CA-O 3.5Å; V5-I63 HydrophobicContact CG2-CB 4.41Å; K6-I63 PolarHBondContact N-O 3.19Å; L24-I63 HydrophobicContact CD1-CD1 4.11Å; L41-I63 HydrophobicContact CB-CG2 4.02Å; L41-I63 HydrophobicContact CD2-CG2 3.98Å; L41-I63 HydrophobicContact CG-CG2 4.47Å; Y42-I63 CarbonylContact O-C 3.51Å; Y42-I63 VanDerWaalsContact O-CA 3.29Å; Y42-I63 WeakPolarHBondContact O-CA 3.28Å; I48-I63 HydrophobicContact CD1-CD1 4.21Å; I48-I63 HydrophobicContact CD1-CG1 4.04Å; I48-I63 HydrophobicContact CD1-CG2 4.05Å; L54-I63 HydrophobicContact CD2-CD1 3.85Å; L57-I63 HydrophobicContact CD1-CD1 4.06Å; T61-I63 HydrophobicContact CG2-CG1 4.04Å
64D94.2Very high83.4Confident59 Ų5971 Ų7132%0.31645%0.454SS..EExtended strand (participates in β ladder)trans-91.4127.5174.3-62.7-39.5000109.8K6 Y42K6-D64 VanDerWaalsContact CD-OD1 3.27Å; K6-D64 WeakPolarHBondContact CD-OD1 3.28Å; Y42-D64 PolarHBondContact N-O 3.16Å; Y42-D64 PolarHBondContact O-N 3.14Å
65V93.7Very high82.5Confident23 Ų2380.3 Ų80.314%0.13950%0.498CS..EExtended strand (participates in β ladder)trans-97.1119.5179.5-175.50000108.6V5 K6 L28 L34 L39 L41V5-V65 HydrophobicContact CG1-CG2 3.51Å; K6-V65 PolarHBondContact O-N 3.5Å; L28-V65 HydrophobicContact CD1-CB 4.31Å; L28-V65 HydrophobicContact CD1-CG1 3.93Å; L28-V65 HydrophobicContact CD1-CG2 3.37Å; L34-V65 HydrophobicContact CD1-CG1 4.11Å; L39-V65 HydrophobicContact CD1-CG1 3.84Å; L39-V65 HydrophobicContact CD2-CG1 4.18Å; L39-V65 HydrophobicContact CG-CG1 4.01Å; L41-V65 HydrophobicContact CD2-CB 4.47Å; L41-V65 HydrophobicContact CD2-CG1 4.39Å; L41-V65 HydrophobicContact CD2-CG2 3.89Å
66V92.7Very high81.9Confident60 Ų6080.1 Ų80.136%0.36450%0.501SS..EExtended strand (participates in β ladder)trans-121.5127.7-177.6-178.80000109.4Q40 Y42Q40-V66 PolarHBondContact N-O 3.48Å; Q40-V66 PolarHBondContact O-N 2.82Å; Y42-V66 HydrophobicContact CD2-CB 4.17Å; Y42-V66 HydrophobicContact CD2-CG2 3.8Å; Y42-V66 HydrophobicContact CE2-CB 4.11Å; Y42-V66 HydrophobicContact CE2-CG2 4.13Å
67V90.5Very high81.6Confident56 Ų5680.6 Ų80.634%0.33950%0.504SS..  trans-110.8108.3166.21800000107.5L34 P35 L39 A69L34-V67 HydrophobicContact CB-CG2 4.22Å; L34-V67 HydrophobicContact CD1-CG2 4.23Å; L34-V67 HydrophobicContact CD2-CG2 4Å; L34-V67 HydrophobicContact CG-CG2 4.37Å; P35-V67 HydrophobicContact CG-CG1 3.61Å; L39-V67 HydrophobicContact CD1-CG2 4.09Å; L39-V67 HydrophobicContact CG-CG2 4.45Å; V67-A69 PolarHBondContact O-N 3.4Å
68P86.3Confident81.6Confident56 Ų5687.3 Ų87.336%0.36454%0.54SS..PPolyproline II helixtrans-67.1130-178.527.7-31000109.6S38 L70S38-P68 WeakPolarHBondContact O-CD 3.41Å; P68-L70 PolarHBondContact O-N 2.86Å
69A79.7Confident81.6Confident88 Ų8887.6 Ų87.673%0.72755%0.547SS*.PPolyproline II helixtrans-62.8132.7170.700000109.7V67 G71V67-A69 PolarHBondContact O-N 3.4Å; A69-G71 PolarHBondContact O-N 3.1Å
70L73.9Confident82Confident170 Ų17093.5 Ų93.589%0.8956%0.558SS**SBendtrans-62.9118.7173.1-62.9175.9000108.8P68P68-L70 PolarHBondContact O-N 2.86Å
71G69.2Low82.5Confident76 Ų7691 Ų9178%0.78456%0.556SS**SBendtrans10273.9-178.900000114.1A69A69-G71 PolarHBondContact O-N 3.1Å
72G67Low82.8Confident61 Ų6193.4 Ų93.463%0.62958%0.58SS**  trans-68.7168.5173.700000113.8V74G72-V74 PolarHBondContact O-N 2.89Å
73K68.6Low83Confident225 Ų22597.7 Ų97.798%0.97860%0.595SS**  trans-64.494.6172.4-70.2-179.2-178.61750110
74V69.7Low83Confident130 Ų130102.9 Ų102.979%0.78863%0.627SS**  trans-82.8121.4169.9179.40000108.8G72G72-V74 PolarHBondContact O-N 2.89Å
75H71.3Confident83.1Confident196 Ų196110.8 Ų110.891%0.90765%0.652SS**SBendtrans-76.5141.8173.2-173.573.9000110.6
76G75.3Confident83Confident55 Ų55113.1 Ų113.157%0.56768%0.68SS**SBendtrans88.982.3-178.500000113.4
77S81.4Confident83.2Confident92 Ų92116.7 Ų116.764%0.64369%0.693SS**  trans-69.7146.4178.263.90000112.5A79S77-A79 PolarHBondContact O-N 3.1Å; S77-A79 VanDerWaalsContact O-N 3.1Å
78L85.3Confident83.4Confident159 Ų159118.2 Ų118.283%0.83270%0.702SS**G310 helixtrans-690.5174-76.9162.5000113.8R80 A81L78-R80 PolarHBondContact O-N 3.3Å; L78-A81 WeakPolarHBondContact O-CB 3.37Å; L78-A81 PolarHBondContact O-N 3.35Å; L78-A81 VanDerWaalsContact O-N 3.11Å
79A84.5Confident83.9Confident87 Ų87120.4 Ų120.472%0.71972%0.717SS**G310 helixtrans-60.9-21-172.100000114.8S77S77-A79 PolarHBondContact O-N 3.1Å; S77-A79 VanDerWaalsContact O-N 3.1Å
80R85.8Confident84.6Confident202 Ų202125.9 Ų125.976%0.76272%0.724SS**G310 helixtrans-99.72.2-178.8-63-174.5-66-178.6-0.1113.9L78 G82 K83L78-R80 PolarHBondContact O-N 3.3Å; R80-G82 PolarHBondContact O-N 3.27Å; R80-K83 PolarHBondContact O-N 3.11Å
81A92Very high85.6Confident81 Ų81123.7 Ų123.767%0.66972%0.718SS**THydrogen-bonded Turntrans-60127.9179.400000110.6L78 K83L78-A81 WeakPolarHBondContact O-CB 3.37Å; L78-A81 PolarHBondContact O-N 3.35Å; L78-A81 VanDerWaalsContact O-N 3.11Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.05Å
82G92.3Very high86.9Confident53 Ų53128.3 Ų128.355%0.54672%0.719SS.*THydrogen-bonded Turntrans77.31176.200000116.7R80 V84 R85 G86R80-G82 PolarHBondContact O-N 3.27Å; G82-V84 PolarHBondContact O-N 2.99Å; G82-R85 PolarHBondContact O-N 3.11Å; G82-R85 VanDerWaalsContact O-N 3.11Å; G82-G86 PolarHBondContact O-N 3.31Å
83K95.2Very high88.2Confident123 Ų123135.2 Ų135.254%0.53573%0.731SS.*Hα-helixtrans-48.5-54.2-177.5-178.7-179.7177.6-1790113R80 A81 R85 G86 Q87R80-K83 PolarHBondContact O-N 3.11Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.05Å; K83-R85 PolarHBondContact O-N 3.33Å; K83-G86 PolarHBondContact O-N 3.45Å; K83-Q87 VanDerWaalsContact CE-NE2 3.34Å; K83-Q87 WeakPolarHBondContact O-CB 3.5Å; K83-Q87 VanDerWaalsContact O-CG 3.3Å; K83-Q87 WeakPolarHBondContact O-CG 3.47Å; K83-Q87 PolarHBondContact O-N 3.07Å
84V95.5Very high89.4Confident109 Ų109132.1 Ų132.166%0.66172%0.72SS**Hα-helixtrans-66.7-38.3-176.5179.70000111.6G82 G86 Q87 T88G82-V84 PolarHBondContact O-N 2.99Å; V84-G86 VanDerWaalsContact C-N 3.32Å; V84-G86 PolarHBondContact O-N 2.74Å; V84-Q87 PolarHBondContact O-N 3.25Å; V84-T88 WeakPolarHBondContact O-CB 3.3Å; V84-T88 PolarHBondContact O-N 3.41Å; V84-T88 PolarHBondContact O-OG1 3.45Å
85R94.4Very high90.5Very high225 Ų225135.4 Ų135.485%0.84973%0.727SS**Hα-helixtrans-65.7-36178.9-172.7177.3179.8-177.7-0.6111.9G82 K83G82-R85 PolarHBondContact O-N 3.11Å; G82-R85 VanDerWaalsContact O-N 3.11Å; K83-R85 PolarHBondContact O-N 3.33Å
86G93.4Very high91.5Very high71 Ų71134.6 Ų134.673%0.73272%0.721SS**Hα-helixtrans-77.7-30.9176.300000114G82 K83 V84G82-G86 PolarHBondContact O-N 3.31Å; K83-G86 PolarHBondContact O-N 3.45Å; V84-G86 VanDerWaalsContact C-N 3.32Å; V84-G86 PolarHBondContact O-N 2.74Å
87Q95.9Very high92.4Very high136 Ų136142 Ų14264%0.63674%0.738SS**Hα-helixtrans-80.2-22.6179.1-72.1-177.7-16.100113.7K83 V84K83-Q87 VanDerWaalsContact CE-NE2 3.34Å; K83-Q87 WeakPolarHBondContact O-CB 3.5Å; K83-Q87 VanDerWaalsContact O-CG 3.3Å; K83-Q87 WeakPolarHBondContact O-CG 3.47Å; K83-Q87 PolarHBondContact O-N 3.07Å; V84-Q87 PolarHBondContact O-N 3.25Å
88T95.8Very high92.9Very high87 Ų87147.7 Ų147.753%0.53475%0.751SS.*SBendtrans-78.2121.7-178.3-54.60000109.9V84 K90V84-T88 WeakPolarHBondContact O-CB 3.3Å; V84-T88 PolarHBondContact O-N 3.41Å; V84-T88 PolarHBondContact O-OG1 3.45Å; T88-K90 PolarHBondContact O-N 3.37Å
89P95.8Very high93.2Very high102 Ų102143.9 Ų143.966%0.66274%0.737SS**  trans-59.8135.8179.625.2-34.1000110.6V91P89-V91 PolarHBondContact O-N 3.23Å
90K94.9Very high93.7Very high204 Ų204142.1 Ų142.189%0.88772%0.719SS**  trans-80.683.2-179.1-167.6177-177.8-174.90110.1T88 E92T88-K90 PolarHBondContact O-N 3.37Å; K90-E92 PolarHBondContact O-N 3.02Å
91V95.3Very high94.1Very high124 Ų124143 Ų14375%0.75272%0.722SS**  trans-66.9117.5178-176.60000109.8P89P89-V91 PolarHBondContact O-N 3.23Å
92E94.6Very high94.4Very high173 Ų173141.7 Ų141.781%0.80872%0.717SS**  trans-64.6145.6176.8-65.2-169.3163.100111.4K90 Q94K90-E92 PolarHBondContact O-N 3.02Å; E92-Q94 PolarHBondContact O-N 2.98Å
93K95.2Very high94.6Very high205 Ų205148.3 Ų148.389%0.89173%0.725SS**  trans-74.7113.9177.7-69.2179.9-178.8174.30108.6E95K93-E95 PolarHBondContact O-N 3.48Å
94Q93.6Very high94.7Very high160 Ų160145.2 Ų145.275%0.74872%0.723SS**  trans-61135.6169.9-64.5174.36.100110.2E92 K96E92-Q94 PolarHBondContact O-N 2.98Å; Q94-K96 PolarHBondContact O-N 3.26Å
95E92.2Very high94.8Very high200 Ų200145.5 Ų145.594%0.93572%0.715SS**  trans-65.5121.2173.4-65.5-165164.300110.2K93K93-E95 PolarHBondContact O-N 3.48Å
96K93.6Very high94.9Very high179 Ų179143.1 Ų143.178%0.77871%0.706SS**  trans-111.3141.6174.3-67.7-179.8-179.1178.30109Q94 K98Q94-K96 PolarHBondContact O-N 3.26Å; K96-K98 PolarHBondContact O-N 3.35Å
97K93.6Very high95.1Very high210 Ų210146.8 Ų146.891%0.91370%0.698SS**PPolyproline II helixtrans-51.5134.1174.4-66.2-176.2-179.4-179.10110S99K97-S99 PolarHBondContact O-N 3.21Å
98K92.5Very high95Very high211 Ų211145.8 Ų145.892%0.91770%0.695SS**PPolyproline II helixtrans-58124.3176.8-68.4-179.3-177.9174.40108.8K96K96-K98 PolarHBondContact O-N 3.35Å
99S92Very high94.9Very high79 Ų79144.3 Ų144.355%0.55268%0.682SS**PPolyproline II helixtrans-71.5142.8174.852.30000110.4K97K97-S99 PolarHBondContact O-N 3.21Å
100P94.4Very high94.9Very high51 Ų51145.9 Ų145.933%0.33168%0.675SS.*PPolyproline II helixtrans-60150.2176.425.1-33.2000110.5A104 K105 M108P100-A104 HydrophobicContact CB-CB 4.1Å; P100-K105 VanDerWaalsContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CD 3.48Å; P100-K105 WeakPolarHBondContact O-CG 3.48Å; P100-M108 HydrophobicContact CG-CE 3.67Å; P100-M108 HydrophobicContact CG-SD 4.3Å
101R95Very high94.8Very high220 Ų220139.7 Ų139.783%0.8365%0.652SS**  trans-118.3167.9179.7-62.3-176179.3-171.8-0.9110.7
102G97.1Very high94.6Very high54 Ų54140.9 Ų140.956%0.55765%0.647SS**Hα-helixtrans62.7-139176.300000114.5A104 K105 R106G102-A104 VanDerWaalsContact C-N 3.29Å; G102-A104 PolarHBondContact O-N 3.41Å; G102-K105 WeakPolarHBondContact O-CB 3.44Å; G102-K105 PolarHBondContact O-N 3.32Å; G102-K105 VanDerWaalsContact O-N 3.14Å; G102-R106 PolarHBondContact O-N 3.16Å; G102-R106 VanDerWaalsContact O-N 3.16Å
103R97.2Very high94.4Very high191 Ų191139.5 Ų139.572%0.72163%0.634SS**Hα-helixtrans-58.8-38.3-175.7-171173-175.2-1013.4112.9K105 R106 R107R103-K105 PolarHBondContact O-N 3.14Å; R103-R106 PolarHBondContact O-N 3.29Å; R103-R107 VanDerWaalsContact NH1-NH2 3.16Å; R103-R107 PolarHBondContact O-N 3.22Å
104A96.7Very high94.1Very high59 Ų59136.1 Ų136.149%0.48862%0.62SS.*Hα-helixtrans-61.4-42.9177.300000111.8P100 G102 R107 M108P100-A104 HydrophobicContact CB-CB 4.1Å; G102-A104 VanDerWaalsContact C-N 3.29Å; G102-A104 PolarHBondContact O-N 3.41Å; A104-R107 PolarHBondContact O-N 2.93Å; A104-M108 PolarHBondContact O-N 3.28Å
105K97.5Very high93.8Very high115 Ų115133.2 Ų133.250%0.561%0.613SS.*Hα-helixtrans-62.4-43.1175.1-165.9179.5178.5177.60111.9P100 G102 R103 M108 Q109P100-K105 VanDerWaalsContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CD 3.48Å; P100-K105 WeakPolarHBondContact O-CG 3.48Å; G102-K105 WeakPolarHBondContact O-CB 3.44Å; G102-K105 PolarHBondContact O-N 3.32Å; G102-K105 VanDerWaalsContact O-N 3.14Å; R103-K105 PolarHBondContact O-N 3.14Å; K105-M108 PolarHBondContact O-N 2.98Å; K105-Q109 WeakPolarHBondContact O-CB 3.43Å; K105-Q109 PolarHBondContact O-N 3.37Å
106R96.8Very high93.3Very high175 Ų175127.3 Ų127.366%0.6660%0.598SS**Hα-helixtrans-64.5-41.8178.9-69.5-64.4-170.2176.26.8112G102 R103 Q109 Y110G102-R106 PolarHBondContact O-N 3.16Å; G102-R106 VanDerWaalsContact O-N 3.16Å; R103-R106 PolarHBondContact O-N 3.29Å; R106-Q109 PolarHBondContact O-N 3.14Å; R106-Y110 PolarHBondContact O-N 3.31Å
107R96.8Very high92.5Very high147 Ų147121.6 Ų121.656%0.55558%0.578SS**Hα-helixtrans-59.6-48.5173.2-176.4-178.6-74.4176.7-11111.5R103 A104 Q109 Y110 N111R103-R107 VanDerWaalsContact NH1-NH2 3.16Å; R103-R107 PolarHBondContact O-N 3.22Å; A104-R107 PolarHBondContact O-N 2.93Å; R107-Q109 VanDerWaalsContact C-N 3.32Å; R107-Q109 PolarHBondContact O-N 3.24Å; R107-Y110 PolarHBondContact O-N 3.46Å; R107-N111 PolarHBondContact O-N 3.36Å; R107-N111 PolarHBondContact O-OD1 3.03Å
108M94Very high91.3Very high115 Ų115117.7 Ų117.757%0.56757%0.572SS**Hα-helixtrans-59.5-42176.8-176-172.8-75.200112P100 A104 K105 N111 K112P100-M108 HydrophobicContact CG-CE 3.67Å; P100-M108 HydrophobicContact CG-SD 4.3Å; A104-M108 PolarHBondContact O-N 3.28Å; K105-M108 PolarHBondContact O-N 2.98Å; M108-N111 PolarHBondContact O-N 3.39Å; M108-K112 WeakPolarHBondContact O-CB 3.41Å; M108-K112 PolarHBondContact O-N 3.38Å
109Q94.1Very high90.1Very high57 Ų57115.1 Ų115.127%0.26656%0.563SS.*Hα-helixtrans-66-41.2178.2-172.3177.219.300112.4K105 R106 R107 K112 R113K105-Q109 WeakPolarHBondContact O-CB 3.43Å; K105-Q109 PolarHBondContact O-N 3.37Å; R106-Q109 PolarHBondContact O-N 3.14Å; R107-Q109 VanDerWaalsContact C-N 3.32Å; R107-Q109 PolarHBondContact O-N 3.24Å; Q109-K112 PolarHBondContact O-N 3.42Å; Q109-R113 WeakPolarHBondContact O-CB 3.48Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.21Å; Q109-R113 PolarHBondContact O-N 2.91Å
110Y95.2Very high89Confident134 Ų134117.1 Ų117.153%0.52556%0.564SS.*Hα-helixtrans-61.6-50.1175.2177.7-91.1000110.7R106 R107 K112 R113 F114 V115R106-Y110 PolarHBondContact O-N 3.31Å; R107-Y110 PolarHBondContact O-N 3.46Å; Y110-K112 VanDerWaalsContact C-N 3.32Å; Y110-K112 PolarHBondContact O-N 3.46Å; Y110-R113 PolarHBondContact O-N 3.3Å; Y110-R113 VanDerWaalsContact O-N 3.1Å; Y110-F114 AromaticContact CD2-CD2 3.42Å; Y110-F114 HydrophobicContact CD2-CD2 3.42Å; Y110-F114 VanDerWaalsContact CD2-CD2 3.42Å; Y110-F114 AromaticContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CG 4.39Å; Y110-F114 HydrophobicContact CE2-CB 4.31Å; Y110-F114 AromaticContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CE2 4.32Å; Y110-F114 HydrophobicContact CE2-CG 4.24Å; Y110-F114 HydrophobicContact CG-CD2 4.05Å; Y110-F114 PolarHBondContact O-N 2.92Å; Y110-V115 HydrophobicContact CD1-CG2 3.98Å; Y110-V115 HydrophobicContact CE1-CG2 3.62Å
111N93.9Very high87.7Confident74 Ų74121.1 Ų121.140%0.39659%0.59SS.*Iπ-helixtrans-58-45.4178.1-68.84.4000111.1R107 M108 R113 V115 A116R107-N111 PolarHBondContact O-N 3.36Å; R107-N111 PolarHBondContact O-OD1 3.03Å; M108-N111 PolarHBondContact O-N 3.39Å; N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 2.97Å; N111-V115 PolarHBondContact O-N 3.49Å; N111-V115 VanDerWaalsContact O-N 3.16Å; N111-A116 WeakPolarHBondContact O-CB 3.4Å; N111-A116 PolarHBondContact O-N 3.03Å
112K90.4Very high86.7Confident149 Ų149115.1 Ų115.165%0.64860%0.596SS**Iπ-helixtrans-64.6-31.6178.1-173.2173.1-179.6176.50113.5M108 Q109 Y110M108-K112 WeakPolarHBondContact O-CB 3.41Å; M108-K112 PolarHBondContact O-N 3.38Å; Q109-K112 PolarHBondContact O-N 3.42Å; Y110-K112 VanDerWaalsContact C-N 3.32Å; Y110-K112 PolarHBondContact O-N 3.46Å
113R90.2Very high85.4Confident144 Ų144114.4 Ų114.454%0.54359%0.588SS.*Iπ-helixtrans-93.8-26.4-173.4-75.4-179.4175.9-172.8-5.7114.9Q109 Y110 N111 V117Q109-R113 WeakPolarHBondContact O-CB 3.48Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.21Å; Q109-R113 PolarHBondContact O-N 2.91Å; Y110-R113 PolarHBondContact O-N 3.3Å; Y110-R113 VanDerWaalsContact O-N 3.1Å; N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 2.97Å; R113-V117 VanDerWaalsContact C-CG2 3.4Å; R113-V117 WeakPolarHBondContact O-CG2 3.28Å
114F88.5Confident84.4Confident135 Ų135116.8 Ų116.859%0.59260%0.597SS**Iπ-helixtrans-128.1-40.5-170.6-57.4-67.6000112.8Y110Y110-F114 AromaticContact CD2-CD2 3.42Å; Y110-F114 HydrophobicContact CD2-CD2 3.42Å; Y110-F114 VanDerWaalsContact CD2-CD2 3.42Å; Y110-F114 AromaticContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CG 4.39Å; Y110-F114 HydrophobicContact CE2-CB 4.31Å; Y110-F114 AromaticContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CE2 4.32Å; Y110-F114 HydrophobicContact CE2-CG 4.24Å; Y110-F114 HydrophobicContact CG-CD2 4.05Å; Y110-F114 PolarHBondContact O-N 2.92Å
115V87.3Confident83.5Confident99 Ų99123.8 Ų123.860%0.661%0.611SS**Iπ-helixtrans-85.1-49-175.4-175.20000111.7Y110 N111 V117Y110-V115 HydrophobicContact CD1-CG2 3.98Å; Y110-V115 HydrophobicContact CE1-CG2 3.62Å; N111-V115 PolarHBondContact O-N 3.49Å; N111-V115 VanDerWaalsContact O-N 3.16Å; V115-V117 VanDerWaalsContact C-N 3.29Å; V115-V117 PolarHBondContact O-N 3.16Å
116A83.2Confident82.7Confident75 Ų75125.1 Ų125.162%0.6261%0.613SS**SBendtrans-87.910.9-175.700000113.7N111 V118N111-A116 WeakPolarHBondContact O-CB 3.4Å; N111-A116 PolarHBondContact O-N 3.03Å; A116-V118 PolarHBondContact O-N 3.35Å
117V76.8Confident82.2Confident59 Ų59119 Ų11936%0.35860%0.604SS.*  trans-82.5100.2178.1177.50000108.9R113 V115 Q119R113-V117 VanDerWaalsContact C-CG2 3.4Å; R113-V117 WeakPolarHBondContact O-CG2 3.28Å; V115-V117 VanDerWaalsContact C-N 3.29Å; V115-V117 PolarHBondContact O-N 3.16Å; V117-Q119 HydrophobicContact CG1-CG 4.43Å; V117-Q119 PolarHBondContact O-N 2.81Å
118V68Low81.8Confident128 Ų128118.1 Ų118.178%0.77662%0.618SS**  trans-80109.3163.6-178.40000107.3A116 Q120A116-V118 PolarHBondContact O-N 3.35Å; V118-Q120 PolarHBondContact O-N 3.38Å
119Q68.1Low81.7Confident157 Ų157119.4 Ų119.473%0.73463%0.627SS**  trans-68.9110.8167.1-64.9-172.233.700107.1V117 P121V117-Q119 HydrophobicContact CG1-CG 4.43Å; V117-Q119 PolarHBondContact O-N 2.81Å; Q119-P121 WeakPolarHBondContact O-CD 3.33Å
120Q67.2Low81.4Confident122 Ų122119.2 Ų119.257%0.5763%0.632SS**  trans-64.4125.7171.5-72.3-175.9-26.600108V118 G122 G123V118-Q120 PolarHBondContact O-N 3.38Å; Q120-G122 PolarHBondContact O-N 2.9Å; Q120-G122 VanDerWaalsContact O-N 3.15Å; Q120-G123 PolarHBondContact O-N 3.1Å
121P68.7Low81.1Confident135 Ų135119.8 Ų119.888%0.87764%0.644SS**THydrogen-bonded Turntrans-55.4122.7176.8-20.830.8000109.5Q119 G123Q119-P121 WeakPolarHBondContact O-CD 3.33Å; P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 3.39Å
122G72.1Confident80.6Confident94 Ų94120.7 Ų120.797%0.96965%0.652SS**THydrogen-bonded Turntrans74.9-0.1-178.700000116.4Q120Q120-G122 PolarHBondContact O-N 2.9Å; Q120-G122 VanDerWaalsContact O-N 3.15Å
123G71.4Confident80Confident38 Ų38122.8 Ų122.839%0.39266%0.661SS.*PPolyproline II helixtrans-91.6133.5-178.900000113.8Q120 P121Q120-G123 PolarHBondContact O-N 3.1Å; P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 3.39Å
124R75.1Confident79Confident241 Ų241120.5 Ų120.591%0.90967%0.667SS**PPolyproline II helixtrans-61137.2168.9-77.4179.6142.9-171.1-5.6110.7R126R124-R126 PolarHBondContact O-N 3.22Å; R124-R126 VanDerWaalsContact O-N 3.15Å
125R77.1Confident78.1Confident206 Ų206123.2 Ų123.278%0.77770%0.703SS**PPolyproline II helixtrans-57.8118.9176.8-62.8-17984.4172.47110.1
126R81.5Confident77.6Confident144 Ų144124.5 Ų124.554%0.54371%0.708SS.*PPolyproline II helixtrans-77.6143177.5-65.1-172.7-177.6-166.51.4111.2R124R124-R126 PolarHBondContact O-N 3.22Å; R124-R126 VanDerWaalsContact O-N 3.15Å
127G86.5Confident77.4Confident45 Ų45127.1 Ų127.146%0.46471%0.713SS.*PPolyproline II helixtrans-69.1156.617500000112.9N129 S130G127-N129 VanDerWaalsContact C-N 3.26Å; G127-N129 PolarHBondContact O-N 3.15Å; G127-S130 WeakPolarHBondContact O-CB 3.41Å; G127-S130 PolarHBondContact O-N 3.42Å
128P88Confident77.4Confident130 Ų130130.8 Ų130.884%0.84473%0.732SS**THydrogen-bonded Turntrans-69-16.7-173.727.3-35.8000115.2
129N91.5Very high77.9Confident142 Ų142131 Ų13176%0.75973%0.73SS**THydrogen-bonded Turntrans-124.837.2177.3-165.943.6000110.9G127G127-N129 VanDerWaalsContact C-N 3.26Å; G127-N129 PolarHBondContact O-N 3.15Å
130S87.9Confident78.5Confident53 Ų53129.4 Ų129.437%0.37173%0.73SS.*  trans-75.8124.7176.31790000109.9G127 V132G127-S130 WeakPolarHBondContact O-CB 3.41Å; G127-S130 PolarHBondContact O-N 3.42Å; S130-V132 VanDerWaalsContact C-N 3.29Å; S130-V132 WeakPolarHBondContact OG-CB 3.49Å; S130-V132 WeakPolarHBondContact OG-CG2 3.09Å; S130-V132 PolarHBondContact OG-N 3.15Å
131N89.4Confident79.3Confident145 Ų145129.9 Ų129.978%0.77574%0.74SS**  trans-9316.1173.6-67.8-7000112.4K133N131-K133 PolarHBondContact O-N 3.19Å; N131-K133 VanDerWaalsContact O-N 3.14Å
132V84.3Confident80.1Confident93 Ų93129.5 Ų129.556%0.56473%0.731SS**  trans-65.7113.7178.7177.80000108.8S130 S134S130-V132 VanDerWaalsContact C-N 3.29Å; S130-V132 WeakPolarHBondContact OG-CB 3.49Å; S130-V132 WeakPolarHBondContact OG-CG2 3.09Å; S130-V132 PolarHBondContact OG-N 3.15Å; V132-S134 PolarHBondContact O-N 2.98Å
133K77.7Confident80.7Confident193 Ų193132.2 Ų132.284%0.83971%0.712SS**  trans-61.2128.3171.6-62.6-177.8-179.4-179.50108.2N131 S135N131-K133 PolarHBondContact O-N 3.19Å; N131-K133 VanDerWaalsContact O-N 3.14Å; K133-S135 PolarHBondContact O-N 3.28Å
134S69.6Low81.4Confident96 Ų96140.1 Ų140.167%0.67174%0.739SS**  trans-67.1118.5163.346.70000107.1V132V132-S134 PolarHBondContact O-N 2.98Å
135S68.6Low82Confident193 Ų193130.9 Ų130.9100%1.3572%0.723SS**  trans-59.30166.3-55.50000111.4K133K133-S135 PolarHBondContact O-N 3.28Å

Retrieved 135 of 135 residues in 33 ms (Link to these results)