A0A077Z4U2_TRITR Loading...

Ubiquitin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4U2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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
1M58.3Low84.3Confident188 Ų18855.2 Ų55.293%0.92630%0.303SS*.  01250-70.6170.5160.900106.9A3M1-A3 PolarHBondContact O-N 3.07Å
2P76.9Confident83.2Confident92 Ų9257.8 Ų57.860%0.59735%0.353SS*.  trans-68.6126.8177.327.9-31.4000109.4
3A83Confident82.2Confident52 Ų5259.7 Ų59.743%0.4336%0.364SS..EExtended strand (participates in β ladder)trans-75.5134.5167.800000108.4M1 L21M1-A3 PolarHBondContact O-N 3.07Å; A3-L21 HydrophobicContact CB-CD1 4.36Å; A3-L21 HydrophobicContact CB-CD2 3.86Å; A3-L21 HydrophobicContact CB-CG 4.13Å
4I87Confident80.9Confident12 Ų1259.9 Ų59.96%0.06238%0.384CS..EExtended strand (participates in β ladder)trans-111.9140174.967.3171.9000109.2I6 V22 L61 D68I4-I6 HydrophobicContact CD1-CD1 4.07Å; I4-I6 HydrophobicContact CD1-CG1 4.34Å; I4-I6 HydrophobicContact CG1-CD1 4.47Å; I4-I6 HydrophobicContact CG1-CG1 4.42Å; I4-V22 HydrophobicContact CD1-CG2 4.03Å; I4-V22 HydrophobicContact CG1-CG2 3.64Å; I4-V22 WeakPolarHBondContact CG1-O 3.31Å; I4-V22 PolarHBondContact N-O 3.32Å; I4-V22 PolarHBondContact O-N 3.39Å; I4-L61 HydrophobicContact CD1-CB 4.38Å; I4-L61 HydrophobicContact CD1-CD1 3.84Å; I4-L61 HydrophobicContact CD1-CD2 4.03Å; I4-L61 HydrophobicContact CD1-CG 4.3Å; I4-D68 HydrophobicContact CB-CB 4.26Å; I4-D68 HydrophobicContact CG2-CB 4.26Å
5V90.4Very high79.9Confident45 Ų4568 Ų6827%0.27341%0.411SS..EExtended strand (participates in β ladder)trans-100121178.3-179.20000108.1T19 D68 G69V5-T19 HydrophobicContact CG1-CG2 3.34Å; V5-D68 WeakPolarHBondContact CB-OD1 3.25Å; V5-D68 PolarHBondContact N-OD1 2.77Å; V5-G69 WeakPolarHBondContact O-CA 3.15Å; V5-G69 PolarHBondContact O-N 3.45Å
6I90.1Very high79.9Confident0 Ų070.1 Ų70.10%042%0.419CS..EExtended strand (participates in β ladder)trans-113.7133.8177.9-58.7176.4000108.5I4 V8 V20 V22 I31 L61 V72I4-I6 HydrophobicContact CD1-CD1 4.07Å; I4-I6 HydrophobicContact CD1-CG1 4.34Å; I4-I6 HydrophobicContact CG1-CD1 4.47Å; I4-I6 HydrophobicContact CG1-CG1 4.42Å; I6-V8 HydrophobicContact CG2-CG2 4.09Å; I6-V20 HydrophobicContact CB-CG2 3.89Å; I6-V20 HydrophobicContact CG2-CG2 4.39Å; I6-V20 PolarHBondContact N-O 3.29Å; I6-V20 WeakPolarHBondContact O-CG2 3.42Å; I6-V20 PolarHBondContact O-N 3.25Å; I6-V22 HydrophobicContact CD1-CG2 3.51Å; I6-V22 HydrophobicContact CG1-CG2 4.14Å; I6-I31 HydrophobicContact CD1-CD1 3.83Å; I6-I31 HydrophobicContact CD1-CG1 4.4Å; I6-L61 HydrophobicContact CD1-CD2 3.44Å; I6-L61 VanDerWaalsContact CD1-CD2 3.44Å; I6-V72 HydrophobicContact CG2-CB 4.47Å; I6-V72 HydrophobicContact CG2-CG2 3.78Å
7H90.8Very high80.2Confident58 Ų5869.4 Ų69.427%0.26942%0.417SS..EExtended strand (participates in β ladder)trans-99.4121.3175-62.5-64.2000109.1P17 L18 T19 C70 L71 V72H7-P17 HydrophobicContact CB-CB 4.12Å; H7-L18 CarbonylContact C-O 3.57Å; H7-L18 WeakPolarHBondContact CA-O 3.46Å; H7-T19 PolarHBondContact ND1-OG1 3.49Å; H7-T19 VanDerWaalsContact ND1-OG1 3.16Å; H7-C70 PolarHBondContact N-O 3.1Å; H7-L71 HydrophobicContact CB-CD1 3.8Å; H7-L71 CarbonylContact O-C 3.6Å; H7-L71 VanDerWaalsContact O-CA 3.31Å; H7-L71 WeakPolarHBondContact O-CA 3.27Å; H7-V72 PolarHBondContact O-N 3.18Å
8V90.7Very high80.6Confident0 Ų068 Ų680%041%0.407CS..EExtended strand (participates in β ladder)trans-112.3109.8-177.4-176.90000109.1I6 P17 L18 V20 L35 L48 V72 L74I6-V8 HydrophobicContact CG2-CG2 4.09Å; V8-P17 CarbonylContact O-C 3.57Å; V8-P17 WeakPolarHBondContact O-CA 3.33Å; V8-L18 PolarHBondContact N-O 2.9Å; V8-L18 PolarHBondContact O-N 3.33Å; V8-V20 HydrophobicContact CG2-CG2 3.97Å; V8-L35 HydrophobicContact CB-CD1 4.37Å; V8-L35 HydrophobicContact CB-CD2 3.88Å; V8-L35 HydrophobicContact CG1-CD1 3.81Å; V8-L35 HydrophobicContact CG1-CD2 3.91Å; V8-L35 HydrophobicContact CG2-CD1 4.08Å; V8-L35 HydrophobicContact CG2-CD2 4Å; V8-L35 HydrophobicContact CG2-CG 4.5Å; V8-L48 HydrophobicContact CG1-CD2 3.94Å; V8-V72 CarbonylContact C-O 3.6Å; V8-V72 WeakPolarHBondContact CA-O 3.49Å; V8-L74 HydrophobicContact CG1-CB 3.66Å
9K89.4Confident81.1Confident76 Ų7668.4 Ų68.433%0.3341%0.409SS..EExtended strand (participates in β ladder)trans-91.6112.6176.4-174.1173.5-174.9175.50110.1L11 P17 L71 V72 H73 L74K9-L11 PolarHBondContact O-N 2.88Å; K9-P17 HydrophobicContact CB-CB 4.37Å; K9-L71 HydrophobicContact CB-CD1 4.15Å; K9-V72 PolarHBondContact N-O 3.39Å; K9-H73 CarbonylContact O-C 3.58Å; K9-H73 WeakPolarHBondContact O-CA 3.38Å; K9-L74 PolarHBondContact O-N 3.21Å
10V86Confident81.5Confident11 Ų1165 Ų657%0.06739%0.389CS..EExtended strand (participates in β ladder)trans-73.8120.2174.2-166.80000109.1G12 V13 L39 L74 L76V10-G12 PolarHBondContact O-N 2.75Å; V10-V13 HydrophobicContact CB-CB 4.26Å; V10-V13 HydrophobicContact CG1-CB 3.93Å; V10-V13 HydrophobicContact CG1-CG2 4.12Å; V10-L39 HydrophobicContact CG2-CD1 3.69Å; V10-L39 HydrophobicContact CG2-CD2 4.21Å; V10-L74 HydrophobicContact CG1-CD2 4.35Å; V10-L74 HydrophobicContact CG2-CB 4.47Å; V10-L74 HydrophobicContact CG2-CD2 4.03Å; V10-L76 HydrophobicContact CG1-CD1 4.24Å; V10-L76 HydrophobicContact CG1-CG 4.3Å
11L84.7Confident81.9Confident73 Ų7366.6 Ų66.638%0.38240%0.395SS..SBendtrans-80.5119.8176.2-63.3179.8000108.5K9 H73 L74 L75K9-L11 PolarHBondContact O-N 2.88Å; L11-H73 HydrophobicContact CD1-CB 3.94Å; L11-H73 HydrophobicContact CG-CB 4.21Å; L11-L74 PolarHBondContact N-O 2.92Å; L11-L75 HydrophobicContact CB-CD2 3.81Å; L11-L75 HydrophobicContact CD1-CD2 3.48Å; L11-L75 VanDerWaalsContact CD1-CD2 3.48Å; L11-L75 HydrophobicContact CD1-CG 4.02Å; L11-L75 HydrophobicContact CG-CD2 4.22Å
12G71.7Confident83.4Confident87 Ų8757.6 Ų57.690%0.89735%0.351SS*.SBendtrans104.3-25-178.100000114.4V10V10-G12 PolarHBondContact O-N 2.75Å
13V69.3Low83.9Confident82 Ų8255.7 Ų55.750%0.49734%0.336SS..SBendtrans-116.2101.5-179.8-174.30000109.6V10 L76V10-V13 HydrophobicContact CB-CB 4.26Å; V10-V13 HydrophobicContact CG1-CB 3.93Å; V10-V13 HydrophobicContact CG1-CG2 4.12Å; V13-L76 HydrophobicContact CG2-CD1 4.18Å
14G64.2Low83.8Confident63 Ų6356.1 Ų56.165%0.64933%0.331SS*.  trans67.6172.9172.300000115.8
15K65.6Low83.6Confident181 Ų18159 Ų5979%0.78735%0.352SS*.SBendtrans-97.4-26-179.7-67.4-179.3-178.1175.60113
16N80.6Confident83.5Confident101 Ų10158.4 Ų58.454%0.5435%0.347SS..SBendtrans-84.6129.2-169.3-66.45000110.7
17P85.2Confident83.4Confident58 Ų5864.9 Ų64.938%0.37737%0.372SS..PPolyproline II helixtrans-73.5143.8175.231.2-33.3000110.7H7 V8 K9 L71H7-P17 HydrophobicContact CB-CB 4.12Å; V8-P17 CarbonylContact O-C 3.57Å; V8-P17 WeakPolarHBondContact O-CA 3.33Å; K9-P17 HydrophobicContact CB-CB 4.37Å; P17-L71 HydrophobicContact CB-CD1 4.02Å
18L87.6Confident83.3Confident45 Ų4562.1 Ų62.124%0.23636%0.359CS..EExtended strand (participates in β ladder)trans-83.5130.6174.5-171.158.6000109.9H7 V8 L35 Q38 L39H7-L18 CarbonylContact C-O 3.57Å; H7-L18 WeakPolarHBondContact CA-O 3.46Å; V8-L18 PolarHBondContact N-O 2.9Å; V8-L18 PolarHBondContact O-N 3.33Å; L18-L35 HydrophobicContact CD2-CD2 3.54Å; L18-L35 HydrophobicContact CG-CD2 4.31Å; L18-Q38 HydrophobicContact CD2-CB 3.8Å; L18-L39 HydrophobicContact CD2-CD1 4.32Å; L18-L39 HydrophobicContact CD2-CD2 3.95Å; L18-L39 HydrophobicContact CD2-CG 3.9Å
19T89.6Confident83.3Confident75 Ų7564.6 Ų64.646%0.4638%0.376SS..EExtended strand (participates in β ladder)trans-96.1121.9-178.5-57.60000110.1V5 H7V5-T19 HydrophobicContact CG1-CG2 3.34Å; H7-T19 PolarHBondContact ND1-OG1 3.49Å; H7-T19 VanDerWaalsContact ND1-OG1 3.16Å
20V89.3Confident83.3Confident1 Ų163 Ų631%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-121.3131.9177.7-63.10000110.4I6 V8 I31 L35I6-V20 HydrophobicContact CB-CG2 3.89Å; I6-V20 HydrophobicContact CG2-CG2 4.39Å; I6-V20 PolarHBondContact N-O 3.29Å; I6-V20 WeakPolarHBondContact O-CG2 3.42Å; I6-V20 PolarHBondContact O-N 3.25Å; V8-V20 HydrophobicContact CG2-CG2 3.97Å; V20-I31 HydrophobicContact CG2-CG2 4.11Å; V20-L35 HydrophobicContact CG1-CD2 3.83Å; V20-L35 HydrophobicContact CG1-CG 4.33Å
21L89.4Confident83.5Confident98 Ų9862.6 Ų62.651%0.51337%0.369SS..EExtended strand (participates in β ladder)trans-99.9121178.2-171.6148.2000109.3A3 K34A3-L21 HydrophobicContact CB-CD1 4.36Å; A3-L21 HydrophobicContact CB-CD2 3.86Å; A3-L21 HydrophobicContact CB-CG 4.13Å; L21-K34 WeakPolarHBondContact O-CE 3.07Å; L21-K34 PolarHBondContact O-NZ 2.73Å
22V89.2Confident83.7Confident0 Ų059.8 Ų59.80%035%0.354CS..EExtended strand (participates in β ladder)trans-136.3169.1179.8-63.70000109.8I4 I6 I31 K34 L61I4-V22 HydrophobicContact CD1-CG2 4.03Å; I4-V22 HydrophobicContact CG1-CG2 3.64Å; I4-V22 WeakPolarHBondContact CG1-O 3.31Å; I4-V22 PolarHBondContact N-O 3.32Å; I4-V22 PolarHBondContact O-N 3.39Å; I6-V22 HydrophobicContact CD1-CG2 3.51Å; I6-V22 HydrophobicContact CG1-CG2 4.14Å; V22-I31 HydrophobicContact CG1-CG1 3.94Å; V22-I31 HydrophobicContact CG2-CG1 4.27Å; V22-K34 HydrophobicContact CG1-CD 3.82Å; V22-L61 HydrophobicContact CB-CD1 4.34Å; V22-L61 HydrophobicContact CG2-CD1 3.71Å; V22-L61 HydrophobicContact CG2-CD2 4.34Å
23N88.4Confident84.6Confident52 Ų5260.4 Ų60.428%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-101.7152.9176.8-53.7-69.9000110.5S25 D26 L61N23-S25 PolarHBondContact O-N 3.46Å; N23-S25 VanDerWaalsContact O-N 3.09Å; N23-D26 WeakPolarHBondContact CB-OD2 3.46Å; N23-D26 PolarHBondContact N-OD2 3.16Å; N23-D26 PolarHBondContact ND2-OD2 2.79Å; N23-D26 VanDerWaalsContact ND2-OD2 3.1Å; N23-D26 VanDerWaalsContact O-CB 3.28Å; N23-D26 WeakPolarHBondContact O-CB 3.32Å; N23-D26 PolarHBondContact O-N 2.63Å; N23-L61 WeakPolarHBondContact O-CD1 3.42Å
24D79.9Confident85.6Confident61 Ų6160.3 Ų60.333%0.32633%0.327SS..THydrogen-bonded Turntrans-58.3-26.1179.6-167.336.9000114.2D26 T62D24-D26 VanDerWaalsContact C-N 3.35Å; D24-T62 WeakPolarHBondContact OD1-CG2 2.95Å; D24-T62 WeakPolarHBondContact OD2-CG2 3.13Å
25S82.9Confident86.7Confident71 Ų7157.3 Ų57.350%0.49730%0.296SS..THydrogen-bonded Turntrans-81.6-9.6174.956.20000114.5N23N23-S25 PolarHBondContact O-N 3.46Å; N23-S25 VanDerWaalsContact O-N 3.09Å
26D88.4Confident87.6Confident34 Ų3449.8 Ų49.818%0.18227%0.266CS..  trans-74.6156.8-177.2-65.2-19.7000111.1N23 D24 V30 L61N23-D26 WeakPolarHBondContact CB-OD2 3.46Å; N23-D26 PolarHBondContact N-OD2 3.16Å; N23-D26 PolarHBondContact ND2-OD2 2.79Å; N23-D26 VanDerWaalsContact ND2-OD2 3.1Å; N23-D26 VanDerWaalsContact O-CB 3.28Å; N23-D26 WeakPolarHBondContact O-CB 3.32Å; N23-D26 PolarHBondContact O-N 2.63Å; D24-D26 VanDerWaalsContact C-N 3.35Å; D26-V30 HydrophobicContact CB-CB 4.28Å; D26-V30 HydrophobicContact CB-CG1 4.49Å; D26-V30 HydrophobicContact CB-CG2 4.25Å; D26-L61 HydrophobicContact CB-CD1 3.96Å; D26-L61 WeakPolarHBondContact O-CD1 3.4Å; D26-L61 WeakPolarHBondContact O-CG 3.43Å; D26-L61 PolarHBondContact O-N 3.34Å
27R89Confident87.8Confident135 Ų13551 Ų5151%0.50927%0.268SS..BIsolated β-bridgetrans-92.8160.8176.2-62-177.8-171.8168.12.9110.8C29 V30R27-C29 PolarHBondContact O-N 2.75Å; R27-V30 WeakPolarHBondContact O-CB 3.48Å; R27-V30 PolarHBondContact O-N 2.87Å
28I89.1Confident87.6Confident0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-58.6-30.7175.2-69.7165.9000111.7V30 I31 K32 L48 L55 D56 K59 E64I28-V30 PolarHBondContact O-N 3.11Å; I28-I31 HydrophobicContact CG1-CD1 4.4Å; I28-I31 WeakPolarHBondContact O-CB 3.44Å; I28-I31 PolarHBondContact O-N 3.4Å; I28-I31 VanDerWaalsContact O-N 3.1Å; I28-K32 HydrophobicContact CG2-CG 4.46Å; I28-K32 PolarHBondContact O-N 2.86Å; I28-L48 HydrophobicContact CG2-CD1 4.07Å; I28-L55 HydrophobicContact CD1-CB 3.65Å; I28-L55 HydrophobicContact CD1-CD1 4.23Å; I28-L55 HydrophobicContact CD1-CD2 3.99Å; I28-L55 HydrophobicContact CD1-CG 4.18Å; I28-L55 HydrophobicContact CG1-CB 4.43Å; I28-L55 HydrophobicContact CG2-CB 3.88Å; I28-D56 WeakPolarHBondContact CB-O 3.35Å; I28-K59 HydrophobicContact CD1-CB 3.57Å; I28-K59 WeakPolarHBondContact CG1-O 3.37Å; I28-K59 PolarHBondContact N-O 2.79Å; I28-E64 HydrophobicContact CD1-CB 4.47Å; I28-E64 HydrophobicContact CD1-CG 3.89Å
29C89.4Confident87.3Confident53 Ų5352.9 Ų52.936%0.35827%0.272SS..Hα-helixtrans-52.3-41.8172-169.30000112.7R27 I31 K32 E33 N57R27-C29 PolarHBondContact O-N 2.75Å; C29-I31 VanDerWaalsContact C-N 3.34Å; C29-I31 PolarHBondContact O-N 2.75Å; C29-K32 PolarHBondContact O-N 3.39Å; C29-E33 WeakPolarHBondContact O-CB 3.5Å; C29-E33 PolarHBondContact O-N 2.86Å; C29-N57 HydrophobicContact CB-CB 4.21Å
30V90.3Very high86.7Confident42 Ų4255.1 Ų55.126%0.25528%0.276SS..Hα-helixtrans-65.5-38.2179.4-178.10000111.3D26 R27 I28 E33 K34D26-V30 HydrophobicContact CB-CB 4.28Å; D26-V30 HydrophobicContact CB-CG1 4.49Å; D26-V30 HydrophobicContact CB-CG2 4.25Å; R27-V30 WeakPolarHBondContact O-CB 3.48Å; R27-V30 PolarHBondContact O-N 2.87Å; I28-V30 PolarHBondContact O-N 3.11Å; V30-E33 PolarHBondContact O-N 2.79Å; V30-K34 HydrophobicContact CG1-CD 4.44Å; V30-K34 WeakPolarHBondContact O-CG 3.39Å; V30-K34 PolarHBondContact O-N 3.19Å
31I89.2Confident86.2Confident2 Ų255.6 Ų55.61%0.0128%0.279CS..Hα-helixtrans-63.2-48.3175.5-57.4165.3000109.6I6 V20 V22 I28 C29 E33 K34 L35 L48 L61I6-I31 HydrophobicContact CD1-CD1 3.83Å; I6-I31 HydrophobicContact CD1-CG1 4.4Å; V20-I31 HydrophobicContact CG2-CG2 4.11Å; V22-I31 HydrophobicContact CG1-CG1 3.94Å; V22-I31 HydrophobicContact CG2-CG1 4.27Å; I28-I31 HydrophobicContact CG1-CD1 4.4Å; I28-I31 WeakPolarHBondContact O-CB 3.44Å; I28-I31 PolarHBondContact O-N 3.4Å; I28-I31 VanDerWaalsContact O-N 3.1Å; C29-I31 VanDerWaalsContact C-N 3.34Å; C29-I31 PolarHBondContact O-N 2.75Å; I31-E33 VanDerWaalsContact C-N 3.31Å; I31-E33 PolarHBondContact O-N 3.04Å; I31-K34 PolarHBondContact O-N 2.92Å; I31-L35 HydrophobicContact CG2-CD1 3.95Å; I31-L35 HydrophobicContact CG2-CG 4.4Å; I31-L35 WeakPolarHBondContact O-CB 3.23Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.42Å; I31-L35 PolarHBondContact O-N 2.8Å; I31-L48 HydrophobicContact CB-CD1 4.39Å; I31-L48 HydrophobicContact CG2-CD1 3.97Å; I31-L61 HydrophobicContact CD1-CD2 3.4Å; I31-L61 VanDerWaalsContact CD1-CD2 3.4Å; I31-L61 HydrophobicContact CD1-CG 4.27Å; I31-L61 HydrophobicContact CG1-CD2 4.42Å
32K90.2Very high85.9Confident15 Ų1552.7 Ų52.77%0.06527%0.266CS..Hα-helixtrans-63.8-36.1179-65.7-174.2-175.8179.40112.3I28 C29 L35 S36 V43 Q46 L48 L55 N57I28-K32 HydrophobicContact CG2-CG 4.46Å; I28-K32 PolarHBondContact O-N 2.86Å; C29-K32 PolarHBondContact O-N 3.39Å; K32-L35 PolarHBondContact O-N 3.36Å; K32-S36 VanDerWaalsContact O-CB 3.23Å; K32-S36 WeakPolarHBondContact O-CB 3.31Å; K32-S36 PolarHBondContact O-N 2.97Å; K32-V43 HydrophobicContact CB-CB 4.39Å; K32-V43 HydrophobicContact CB-CG1 3.72Å; K32-V43 HydrophobicContact CB-CG2 4.13Å; K32-V43 HydrophobicContact CD-CG1 3.86Å; K32-V43 HydrophobicContact CG-CG1 4.45Å; K32-Q46 PolarHBondContact O-NE2 3.4Å; K32-Q46 PolarHBondContact O-OE1 2.94Å; K32-L48 HydrophobicContact CD-CD1 4.4Å; K32-L48 HydrophobicContact CG-CD1 3.54Å; K32-L48 HydrophobicContact CG-CG 4.17Å; K32-L55 PolarHBondContact NZ-O 2.73Å; K32-L55 VanDerWaalsContact NZ-O 3.12Å; K32-N57 VanDerWaalsContact CD-OD1 3.27Å; K32-N57 WeakPolarHBondContact CD-OD1 3.28Å; K32-N57 WeakPolarHBondContact CE-OD1 3.49Å; K32-N57 PolarHBondContact NZ-OD1 2.87Å
33E90.3Very high85.8Confident100 Ų10054.2 Ų54.247%0.46728%0.275SS..Hα-helixtrans-65.7-44.5175-172.7176.6-160.400111.5C29 V30 I31 L35 S36 H37C29-E33 WeakPolarHBondContact O-CB 3.5Å; C29-E33 PolarHBondContact O-N 2.86Å; V30-E33 PolarHBondContact O-N 2.79Å; I31-E33 VanDerWaalsContact C-N 3.31Å; I31-E33 PolarHBondContact O-N 3.04Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.29Å; E33-S36 VanDerWaalsContact O-CB 3.3Å; E33-S36 WeakPolarHBondContact O-CB 3.32Å; E33-S36 PolarHBondContact O-N 3.26Å; E33-S36 VanDerWaalsContact O-N 3.17Å; E33-H37 PolarHBondContact O-N 2.64Å
34K89.7Confident85.6Confident79 Ų7958.4 Ų58.434%0.34330%0.297SS..Hα-helixtrans-61.5-42.9174-73.4177.5-179-122.90112L21 V22 V30 I31 S36 H37 Q38L21-K34 WeakPolarHBondContact O-CE 3.07Å; L21-K34 PolarHBondContact O-NZ 2.73Å; V22-K34 HydrophobicContact CG1-CD 3.82Å; V30-K34 HydrophobicContact CG1-CD 4.44Å; V30-K34 WeakPolarHBondContact O-CG 3.39Å; V30-K34 PolarHBondContact O-N 3.19Å; I31-K34 PolarHBondContact O-N 2.92Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-H37 PolarHBondContact O-N 2.82Å; K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.32Å; K34-Q38 VanDerWaalsContact O-N 3.11Å
35L87.6Confident85.8Confident0 Ų057.9 Ų57.90%029%0.293CS..Hα-helixtrans-65.4-37.1174.3-69.9170.5000112V8 L18 V20 I31 K32 E33 H37 Q38 L39 Q46 L48V8-L35 HydrophobicContact CB-CD1 4.37Å; V8-L35 HydrophobicContact CB-CD2 3.88Å; V8-L35 HydrophobicContact CG1-CD1 3.81Å; V8-L35 HydrophobicContact CG1-CD2 3.91Å; V8-L35 HydrophobicContact CG2-CD1 4.08Å; V8-L35 HydrophobicContact CG2-CD2 4Å; V8-L35 HydrophobicContact CG2-CG 4.5Å; L18-L35 HydrophobicContact CD2-CD2 3.54Å; L18-L35 HydrophobicContact CG-CD2 4.31Å; V20-L35 HydrophobicContact CG1-CD2 3.83Å; V20-L35 HydrophobicContact CG1-CG 4.33Å; I31-L35 HydrophobicContact CG2-CD1 3.95Å; I31-L35 HydrophobicContact CG2-CG 4.4Å; I31-L35 WeakPolarHBondContact O-CB 3.23Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.42Å; I31-L35 PolarHBondContact O-N 2.8Å; K32-L35 PolarHBondContact O-N 3.36Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.29Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 3.43Å; L35-Q38 PolarHBondContact O-N 2.69Å; L35-L39 HydrophobicContact CD2-CD1 4.5Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 PolarHBondContact O-N 3.06Å; L35-Q46 VanDerWaalsContact CB-OE1 3.26Å; L35-L48 HydrophobicContact CD1-CD1 4.27Å; L35-L48 HydrophobicContact CD1-CD2 3.73Å; L35-L48 HydrophobicContact CD1-CG 4.43Å
36S85.4Confident86Confident24 Ų2454.6 Ų54.617%0.16827%0.27CS..Hα-helixtrans-58.7-43.7175.3173.70000110.8K32 E33 K34 F40 V41K32-S36 VanDerWaalsContact O-CB 3.23Å; K32-S36 WeakPolarHBondContact O-CB 3.31Å; K32-S36 PolarHBondContact O-N 2.97Å; E33-S36 VanDerWaalsContact O-CB 3.3Å; E33-S36 WeakPolarHBondContact O-CB 3.32Å; E33-S36 PolarHBondContact O-N 3.26Å; E33-S36 VanDerWaalsContact O-N 3.17Å; K34-S36 VanDerWaalsContact C-N 3.33Å; S36-F40 WeakPolarHBondContact O-CA 3.42Å; S36-F40 PolarHBondContact O-N 3.12Å; S36-V41 WeakPolarHBondContact CA-O 3.37Å; S36-V41 WeakPolarHBondContact CB-O 3.48Å; S36-V41 PolarHBondContact O-N 3.1Å; S36-V41 PolarHBondContact OG-O 2.88Å
37H83.3Confident86Confident127 Ų12754 Ų5459%0.58827%0.268SS*.Hα-helixtrans-69.8-33.7176.4-66.1161.8000113.6E33 K34 L35E33-H37 PolarHBondContact O-N 2.64Å; K34-H37 PolarHBondContact O-N 2.82Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 3.43Å
38Q81.4Confident86Confident91 Ų9147.6 Ų47.643%0.42524%0.244SC..Hα-helixtrans-82.2-40.1-177.7-70.2-174.515.800113.4L18 K34 L35L18-Q38 HydrophobicContact CD2-CB 3.8Å; K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.32Å; K34-Q38 VanDerWaalsContact O-N 3.11Å; L35-Q38 PolarHBondContact O-N 2.69Å
39L80.8Confident86.1Confident50 Ų5049.3 Ų49.326%0.26225%0.253SS..Hα-helixtrans-93.9-10.9-179.4-61.9174.3000112.7V10 L18 L35 V41 L74V10-L39 HydrophobicContact CG2-CD1 3.69Å; V10-L39 HydrophobicContact CG2-CD2 4.21Å; L18-L39 HydrophobicContact CD2-CD1 4.32Å; L18-L39 HydrophobicContact CD2-CD2 3.95Å; L18-L39 HydrophobicContact CD2-CG 3.9Å; L35-L39 HydrophobicContact CD2-CD1 4.5Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 PolarHBondContact O-N 3.06Å; L39-V41 VanDerWaalsContact C-N 3.34Å; L39-V41 HydrophobicContact CB-CB 4.49Å; L39-V41 HydrophobicContact CB-CG2 4.03Å; L39-L74 HydrophobicContact CD1-CD2 3.39Å
40F77.4Confident86.1Confident122 Ų12247.8 Ų47.854%0.53524%0.24SC..THydrogen-bonded Turntrans52.553-169.8-56.4-85.9000110.3S36 R88S36-F40 WeakPolarHBondContact O-CA 3.42Å; S36-F40 PolarHBondContact O-N 3.12Å; F40-R88 PolarHBondContact O-NH1 3.19Å; F40-R88 PolarHBondContact O-NH2 3.06Å; F40-R88 VanDerWaalsContact O-NH2 3.15Å
41V79.9Confident85.9Confident12 Ų1252 Ų527%0.07326%0.261CS..  trans-126.5134.6176.5177.20000108.2S36 L39 E45 Q46 L76S36-V41 WeakPolarHBondContact CA-O 3.37Å; S36-V41 WeakPolarHBondContact CB-O 3.48Å; S36-V41 PolarHBondContact O-N 3.1Å; S36-V41 PolarHBondContact OG-O 2.88Å; L39-V41 VanDerWaalsContact C-N 3.34Å; L39-V41 HydrophobicContact CB-CB 4.49Å; L39-V41 HydrophobicContact CB-CG2 4.03Å; V41-E45 HydrophobicContact CG1-CB 4.12Å; V41-Q46 HydrophobicContact CB-CG 4.23Å; V41-Q46 HydrophobicContact CG1-CG 3.78Å; V41-Q46 PolarHBondContact O-NE2 3.35Å; V41-L76 HydrophobicContact CB-CD2 4.48Å; V41-L76 HydrophobicContact CG1-CD2 3.84Å; V41-L76 HydrophobicContact CG2-CD2 4.2Å
42P83.4Confident85.8Confident37 Ų3755.5 Ų55.524%0.2430%0.298CS..  trans-63.7145.8-178.4-12.331.2000110.7D44 E45 Q46 R88P42-D44 PolarHBondContact O-N 2.88Å; P42-D44 VanDerWaalsContact O-N 3.16Å; P42-E45 HydrophobicContact CB-CG 4.27Å; P42-E45 WeakPolarHBondContact CD-OE2 3.37Å; P42-E45 HydrophobicContact CG-CG 4.07Å; P42-E45 PolarHBondContact O-N 3.21Å; P42-Q46 WeakPolarHBondContact O-CG 3.27Å; P42-Q46 PolarHBondContact O-N 2.9Å; P42-R88 VanDerWaalsContact CG-NH2 3.26Å
43V85.5Confident85.7Confident31 Ų3161.2 Ų61.219%0.18832%0.323CS..G310 helixtrans-55.8-34.1179.1173.20000112K32 E45 Q46K32-V43 HydrophobicContact CB-CB 4.39Å; K32-V43 HydrophobicContact CB-CG1 3.72Å; K32-V43 HydrophobicContact CB-CG2 4.13Å; K32-V43 HydrophobicContact CD-CG1 3.86Å; K32-V43 HydrophobicContact CG-CG1 4.45Å; V43-E45 VanDerWaalsContact C-N 3.25Å; V43-E45 PolarHBondContact O-N 3.46Å; V43-Q46 PolarHBondContact O-N 3.47Å
44D84.6Confident85.6Confident141 Ų14159.9 Ų59.975%0.75432%0.321SS*.G310 helixtrans-70.9-20-179.5-50.2-51.9000113.4P42P42-D44 PolarHBondContact O-N 2.88Å; P42-D44 VanDerWaalsContact O-N 3.16Å
45E84.1Confident85.5Confident49 Ų4956.3 Ų56.323%0.22931%0.306CS..G310 helixtrans-98.5-3.3178.1-55.9-178.3167.300112.1V41 P42 V43 L77 K78V41-E45 HydrophobicContact CG1-CB 4.12Å; P42-E45 HydrophobicContact CB-CG 4.27Å; P42-E45 WeakPolarHBondContact CD-OE2 3.37Å; P42-E45 HydrophobicContact CG-CG 4.07Å; P42-E45 PolarHBondContact O-N 3.21Å; V43-E45 VanDerWaalsContact C-N 3.25Å; V43-E45 PolarHBondContact O-N 3.46Å; E45-L77 PolarHBondContact O-N 3Å; E45-K78 HydrophobicContact CG-CD 4.23Å; E45-K78 HydrophobicContact CG-CG 4.39Å; E45-K78 VanDerWaalsContact OE1-CD 3.26Å; E45-K78 WeakPolarHBondContact OE1-CD 3.41Å; E45-K78 VanDerWaalsContact OE1-CE 3.28Å; E45-K78 WeakPolarHBondContact OE1-CE 3.48Å; E45-K78 IonicContact OE1-NZ 2.72Å; E45-K78 PolarHBondContact OE1-NZ 3.49Å
46Q86.3Confident85.5Confident3 Ų360.2 Ų60.21%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-96.8117178.6-69.9-179.447.400111.4K32 L35 V41 P42 V43 L74K32-Q46 PolarHBondContact O-NE2 3.4Å; K32-Q46 PolarHBondContact O-OE1 2.94Å; L35-Q46 VanDerWaalsContact CB-OE1 3.26Å; V41-Q46 HydrophobicContact CB-CG 4.23Å; V41-Q46 HydrophobicContact CG1-CG 3.78Å; V41-Q46 PolarHBondContact O-NE2 3.35Å; P42-Q46 WeakPolarHBondContact O-CG 3.27Å; P42-Q46 PolarHBondContact O-N 2.9Å; V43-Q46 PolarHBondContact O-N 3.47Å; Q46-L74 HydrophobicContact CB-CD1 3.7Å; Q46-L74 HydrophobicContact CG-CD1 4.03Å; Q46-L74 HydrophobicContact CG-CD2 4.5Å
47S89.5Confident85.4Confident21 Ų2161.6 Ų61.615%0.14733%0.332CS..EExtended strand (participates in β ladder)trans-110.8105.2171.8-168.20000110.4L75S47-L75 PolarHBondContact N-O 2.99Å; S47-L75 PolarHBondContact O-N 3.34Å
48L89.9Confident85.3Confident0 Ų062.6 Ų62.60%034%0.337CS..EExtended strand (participates in β ladder)trans-82.2134175-71173000109.7V8 I28 I31 K32 L35 T54 L55 V72 H73 L74V8-L48 HydrophobicContact CG1-CD2 3.94Å; I28-L48 HydrophobicContact CG2-CD1 4.07Å; I31-L48 HydrophobicContact CB-CD1 4.39Å; I31-L48 HydrophobicContact CG2-CD1 3.97Å; K32-L48 HydrophobicContact CD-CD1 4.4Å; K32-L48 HydrophobicContact CG-CD1 3.54Å; K32-L48 HydrophobicContact CG-CG 4.17Å; L35-L48 HydrophobicContact CD1-CD1 4.27Å; L35-L48 HydrophobicContact CD1-CD2 3.73Å; L35-L48 HydrophobicContact CD1-CG 4.43Å; L48-T54 CarbonylContact O-C 3.52Å; L48-T54 WeakPolarHBondContact O-CA 3.48Å; L48-L55 HydrophobicContact CB-CB 3.97Å; L48-L55 HydrophobicContact CB-CD1 4.05Å; L48-L55 HydrophobicContact CB-CG 4.32Å; L48-L55 PolarHBondContact O-N 3.02Å; L48-V72 HydrophobicContact CB-CG1 4.09Å; L48-V72 HydrophobicContact CD2-CG1 3.8Å; L48-V72 HydrophobicContact CG-CG1 4.46Å; L48-H73 CarbonylContact C-O 3.53Å; L48-H73 WeakPolarHBondContact CA-O 3.48Å; L48-L74 HydrophobicContact CD2-CB 3.98Å; L48-L74 HydrophobicContact CD2-CD1 3.77Å; L48-L74 HydrophobicContact CD2-CG 4.44Å; L48-L74 HydrophobicContact CG-CD1 4.2Å
49I90.2Very high85.5Confident36 Ų3661.1 Ų61.119%0.18533%0.329CS..EExtended strand (participates in β ladder)trans-126.5127.9-179.6-62.1-176.3000109.4K53 T54 V72 H73 L75I49-K53 WeakPolarHBondContact CA-O 2.91Å; I49-T54 HydrophobicContact CD1-CG2 4.32Å; I49-T54 HydrophobicContact CG1-CG2 3.98Å; I49-V72 WeakPolarHBondContact O-CG1 3.04Å; I49-H73 HydrophobicContact CB-CB 4.44Å; I49-H73 PolarHBondContact N-O 3.26Å; I49-H73 PolarHBondContact O-N 3.07Å; I49-L75 HydrophobicContact CD1-CD1 3.24Å; I49-L75 HydrophobicContact CD1-CG 3.94Å; I49-L75 HydrophobicContact CG1-CD1 4.38Å
50F89.6Confident85.6Confident22 Ų2260.7 Ų60.710%0.09633%0.33CS..EExtended strand (participates in β ladder)trans-136.8136.3174.2-177.5-114.7000109.5G52 K53 L55 E64 L66 C70 V72F50-G52 PolarHBondContact O-N 3.3Å; F50-G52 VanDerWaalsContact O-N 3.07Å; F50-K53 PolarHBondContact N-O 2.9Å; F50-K53 PolarHBondContact O-N 3.37Å; F50-K53 VanDerWaalsContact O-O 3.07Å; F50-L55 HydrophobicContact CB-CD1 3.95Å; F50-L55 HydrophobicContact CB-CD2 4.09Å; F50-L55 HydrophobicContact CB-CG 4.16Å; F50-E64 WeakPolarHBondContact CE1-O 3.35Å; F50-L66 HydrophobicContact CB-CD2 4.24Å; F50-L66 HydrophobicContact CD1-CD2 3.5Å; F50-L66 HydrophobicContact CD1-CG 4.34Å; F50-L66 HydrophobicContact CD2-CD2 3.85Å; F50-L66 HydrophobicContact CE1-CD2 3.67Å; F50-L66 HydrophobicContact CE1-CG 4.46Å; F50-L66 HydrophobicContact CE2-CD2 4.01Å; F50-L66 HydrophobicContact CG-CD2 3.59Å; F50-L66 HydrophobicContact CZ-CD2 3.92Å; F50-C70 HydrophobicContact CE2-CB 4.33Å; F50-V72 HydrophobicContact CD2-CG2 4.2Å
51N86.9Confident85.8Confident130 Ų13054.9 Ų54.970%0.69531%0.305SS*.THydrogen-bonded Turntrans49.935.7-178.8-63.83.3000114.4K53N51-K53 PolarHBondContact O-N 2.88Å
52G85.2Confident85.8Confident75 Ų7558 Ų5877%0.77332%0.324SS*.THydrogen-bonded Turntrans73.96.7-178.400000115.1F50F50-G52 PolarHBondContact O-N 3.3Å; F50-G52 VanDerWaalsContact O-N 3.07Å
53K88.1Confident85.8Confident136 Ų13659.4 Ų59.459%0.59134%0.335SS*.EExtended strand (participates in β ladder)trans-112.4142.7175.9-62.1-178.2-176.9177.80110.5I49 F50 N51I49-K53 WeakPolarHBondContact CA-O 2.91Å; F50-K53 PolarHBondContact N-O 2.9Å; F50-K53 PolarHBondContact O-N 3.37Å; F50-K53 VanDerWaalsContact O-O 3.07Å; N51-K53 PolarHBondContact O-N 2.88Å
54T88.4Confident85.5Confident72 Ų7259.3 Ų59.344%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-76.5137.3171.249.30000110.2L48 I49L48-T54 CarbonylContact O-C 3.52Å; L48-T54 WeakPolarHBondContact O-CA 3.48Å; I49-T54 HydrophobicContact CD1-CG2 4.32Å; I49-T54 HydrophobicContact CG1-CG2 3.98Å
55L88.4Confident85.3Confident4 Ų458.1 Ų58.12%0.02133%0.326CS..  trans-92.1113.9-179.9-61.3-175.7000110.1I28 K32 L48 F50 E64 L66 V72I28-L55 HydrophobicContact CD1-CB 3.65Å; I28-L55 HydrophobicContact CD1-CD1 4.23Å; I28-L55 HydrophobicContact CD1-CD2 3.99Å; I28-L55 HydrophobicContact CD1-CG 4.18Å; I28-L55 HydrophobicContact CG1-CB 4.43Å; I28-L55 HydrophobicContact CG2-CB 3.88Å; K32-L55 PolarHBondContact NZ-O 2.73Å; K32-L55 VanDerWaalsContact NZ-O 3.12Å; L48-L55 HydrophobicContact CB-CB 3.97Å; L48-L55 HydrophobicContact CB-CD1 4.05Å; L48-L55 HydrophobicContact CB-CG 4.32Å; L48-L55 PolarHBondContact O-N 3.02Å; F50-L55 HydrophobicContact CB-CD1 3.95Å; F50-L55 HydrophobicContact CB-CD2 4.09Å; F50-L55 HydrophobicContact CB-CG 4.16Å; L55-E64 HydrophobicContact CD2-CB 3.82Å; L55-E64 VanDerWaalsContact CD2-CD 3.45Å; L55-E64 HydrophobicContact CD2-CG 3.51Å; L55-E64 WeakPolarHBondContact CD2-OE2 3.45Å; L55-L66 HydrophobicContact CD1-CD1 3.99Å; L55-V72 HydrophobicContact CD1-CG1 4.09Å
56D87.6Confident85.3Confident82 Ų8256.1 Ų56.144%0.43932%0.317SS..  trans-82.4150.4178.7-57.3-51.5000111.4I28 E58 K59I28-D56 WeakPolarHBondContact CB-O 3.35Å; D56-E58 PolarHBondContact O-N 2.87Å; D56-K59 HydrophobicContact CB-CD 4.35Å; D56-K59 HydrophobicContact CB-CG 4.2Å; D56-K59 PolarHBondContact O-N 2.99Å; D56-K59 VanDerWaalsContact O-N 3.16Å; D56-K59 VanDerWaalsContact OD2-CE 3.23Å; D56-K59 WeakPolarHBondContact OD2-CE 3.2Å; D56-K59 IonicContact OD2-NZ 2.73Å; D56-K59 PolarHBondContact OD2-NZ 2.88Å
57N83.7Confident85.1Confident52 Ų5263 Ų6328%0.27835%0.347SS..THydrogen-bonded Turntrans-61.2-30.9-175.7-63.4-11.2000113.1C29 K32 K59C29-N57 HydrophobicContact CB-CB 4.21Å; K32-N57 VanDerWaalsContact CD-OD1 3.27Å; K32-N57 WeakPolarHBondContact CD-OD1 3.28Å; K32-N57 WeakPolarHBondContact CE-OD1 3.49Å; K32-N57 PolarHBondContact NZ-OD1 2.87Å; N57-K59 VanDerWaalsContact C-N 3.28Å; N57-K59 PolarHBondContact O-N 2.76Å
58E81.1Confident85Confident149 Ų14967 Ų6770%0.69637%0.367SS*.THydrogen-bonded Turntrans-80-5.9-177.4-62.4-53.6131.900113.9D56D56-E58 PolarHBondContact O-N 2.87Å
59K84.4Confident84.8Confident59 Ų5969 Ų6926%0.25739%0.387SS..  trans-89.1143.1-178.5-65.6-173.4-173.11710111.9I28 D56 N57 E64I28-K59 HydrophobicContact CD1-CB 3.57Å; I28-K59 WeakPolarHBondContact CG1-O 3.37Å; I28-K59 PolarHBondContact N-O 2.79Å; D56-K59 HydrophobicContact CB-CD 4.35Å; D56-K59 HydrophobicContact CB-CG 4.2Å; D56-K59 PolarHBondContact O-N 2.99Å; D56-K59 VanDerWaalsContact O-N 3.16Å; D56-K59 VanDerWaalsContact OD2-CE 3.23Å; D56-K59 WeakPolarHBondContact OD2-CE 3.2Å; D56-K59 IonicContact OD2-NZ 2.73Å; D56-K59 PolarHBondContact OD2-NZ 2.88Å; N57-K59 VanDerWaalsContact C-N 3.28Å; N57-K59 PolarHBondContact O-N 2.76Å; K59-E64 HydrophobicContact CB-CG 4.15Å; K59-E64 HydrophobicContact CD-CG 3.81Å; K59-E64 WeakPolarHBondContact CD-OE1 3.46Å; K59-E64 WeakPolarHBondContact CE-OE1 3.37Å; K59-E64 IonicContact NZ-OE1 3.88Å; K59-E64 PolarHBondContact NZ-OE1 3.18Å
60S83.9Confident84.7Confident41 Ų4168.3 Ų68.329%0.28739%0.385SS..BIsolated β-bridgetrans-86151.1175.2-59.60000110.8T62 S63 E64S60-T62 PolarHBondContact O-N 3.04Å; S60-S63 PolarHBondContact N-OG 3.28Å; S60-S63 PolarHBondContact O-N 3.25Å; S60-S63 PolarHBondContact O-OG 3.09Å; S60-E64 PolarHBondContact O-N 3.01Å
61L80.5Confident84.7Confident0 Ų071 Ų710%040%0.401CS..THydrogen-bonded Turntrans-52-43.5175-75157.9000112.8I4 I6 V22 N23 D26 I31 S63 E64 N65 L66I4-L61 HydrophobicContact CD1-CB 4.38Å; I4-L61 HydrophobicContact CD1-CD1 3.84Å; I4-L61 HydrophobicContact CD1-CD2 4.03Å; I4-L61 HydrophobicContact CD1-CG 4.3Å; I6-L61 HydrophobicContact CD1-CD2 3.44Å; I6-L61 VanDerWaalsContact CD1-CD2 3.44Å; V22-L61 HydrophobicContact CB-CD1 4.34Å; V22-L61 HydrophobicContact CG2-CD1 3.71Å; V22-L61 HydrophobicContact CG2-CD2 4.34Å; N23-L61 WeakPolarHBondContact O-CD1 3.42Å; D26-L61 HydrophobicContact CB-CD1 3.96Å; D26-L61 WeakPolarHBondContact O-CD1 3.4Å; D26-L61 WeakPolarHBondContact O-CG 3.43Å; D26-L61 PolarHBondContact O-N 3.34Å; I31-L61 HydrophobicContact CD1-CD2 3.4Å; I31-L61 VanDerWaalsContact CD1-CD2 3.4Å; I31-L61 HydrophobicContact CD1-CG 4.27Å; I31-L61 HydrophobicContact CG1-CD2 4.42Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.1Å; L61-E64 PolarHBondContact O-N 2.96Å; L61-N65 PolarHBondContact O-N 3.34Å; L61-L66 HydrophobicContact CD2-CB 3.85Å; L61-L66 HydrophobicContact CD2-CD1 3.51Å; L61-L66 HydrophobicContact CD2-CG 4.32Å; L61-L66 PolarHBondContact O-N 3Å
62T80.8Confident84.9Confident77 Ų7765 Ų6547%0.47237%0.368SS..THydrogen-bonded Turntrans-61.1-37.1175.347.80000113.5D24 S60 N65D24-T62 WeakPolarHBondContact OD1-CG2 2.95Å; D24-T62 WeakPolarHBondContact OD2-CG2 3.13Å; S60-T62 PolarHBondContact O-N 3.04Å; T62-N65 PolarHBondContact O-N 3.39Å
63S82.2Confident85.1Confident67 Ų6764.8 Ų64.847%0.46935%0.347SS..THydrogen-bonded Turntrans-72.1-27.9-17967.30000113.7S60 L61 N65S60-S63 PolarHBondContact N-OG 3.28Å; S60-S63 PolarHBondContact O-N 3.25Å; S60-S63 PolarHBondContact O-OG 3.09Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.1Å; S63-N65 VanDerWaalsContact C-N 3.33Å
64E80.7Confident85.2Confident29 Ų2958.3 Ų58.314%0.13632%0.319CS..THydrogen-bonded Turntrans-96.48.7176.5-71.8-73.2148.500111.9I28 F50 L55 K59 S60 L61 L66I28-E64 HydrophobicContact CD1-CB 4.47Å; I28-E64 HydrophobicContact CD1-CG 3.89Å; F50-E64 WeakPolarHBondContact CE1-O 3.35Å; L55-E64 HydrophobicContact CD2-CB 3.82Å; L55-E64 VanDerWaalsContact CD2-CD 3.45Å; L55-E64 HydrophobicContact CD2-CG 3.51Å; L55-E64 WeakPolarHBondContact CD2-OE2 3.45Å; K59-E64 HydrophobicContact CB-CG 4.15Å; K59-E64 HydrophobicContact CD-CG 3.81Å; K59-E64 WeakPolarHBondContact CD-OE1 3.46Å; K59-E64 WeakPolarHBondContact CE-OE1 3.37Å; K59-E64 IonicContact NZ-OE1 3.88Å; K59-E64 PolarHBondContact NZ-OE1 3.18Å; S60-E64 PolarHBondContact O-N 3.01Å; L61-E64 PolarHBondContact O-N 2.96Å; E64-L66 HydrophobicContact CB-CD1 4.3Å; E64-L66 HydrophobicContact CB-CG 4.18Å; E64-L66 PolarHBondContact O-N 3.36Å
65N80.4Confident85.2Confident117 Ų11758 Ų5863%0.62631%0.314SS*.THydrogen-bonded Turntrans52.634.4-179.1-69.256000113L61 T62 S63 K67L61-N65 PolarHBondContact O-N 3.34Å; T62-N65 PolarHBondContact O-N 3.39Å; S63-N65 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 3.24Å
66L82.9Confident85Confident6 Ų659.7 Ų59.73%0.03132%0.323CS..PPolyproline II helixtrans-73.1117.3175.6-68.8171.1000108.9F50 L55 L61 E64 C70 V72F50-L66 HydrophobicContact CB-CD2 4.24Å; F50-L66 HydrophobicContact CD1-CD2 3.5Å; F50-L66 HydrophobicContact CD1-CG 4.34Å; F50-L66 HydrophobicContact CD2-CD2 3.85Å; F50-L66 HydrophobicContact CE1-CD2 3.67Å; F50-L66 HydrophobicContact CE1-CG 4.46Å; F50-L66 HydrophobicContact CE2-CD2 4.01Å; F50-L66 HydrophobicContact CG-CD2 3.59Å; F50-L66 HydrophobicContact CZ-CD2 3.92Å; L55-L66 HydrophobicContact CD1-CD1 3.99Å; L61-L66 HydrophobicContact CD2-CB 3.85Å; L61-L66 HydrophobicContact CD2-CD1 3.51Å; L61-L66 HydrophobicContact CD2-CG 4.32Å; L61-L66 PolarHBondContact O-N 3Å; E64-L66 HydrophobicContact CB-CD1 4.3Å; E64-L66 HydrophobicContact CB-CG 4.18Å; E64-L66 PolarHBondContact O-N 3.36Å; L66-C70 HydrophobicContact CD2-CB 4.41Å; L66-V72 HydrophobicContact CD2-CG2 3.81Å
67K83.5Confident84.6Confident148 Ų14861.3 Ų61.364%0.64333%0.331SS*.PPolyproline II helixtrans-99.3164.9179.4-58.5-175.2-179.2178.80110.9N65 G69 C70N65-K67 PolarHBondContact O-N 3.24Å; K67-G69 PolarHBondContact O-N 3.16Å; K67-C70 PolarHBondContact N-SG 3.4Å; K67-C70 VanDerWaalsContact O-CB 3.25Å; K67-C70 WeakPolarHBondContact O-CB 3.32Å; K67-C70 PolarHBondContact O-N 3.2Å; K67-C70 VanDerWaalsContact O-N 3.11Å; K67-C70 PolarHBondContact O-SG 3.49Å; K67-C70 VanDerWaalsContact O-SG 3.39Å
68D86.4Confident83.9Confident105 Ų10565 Ų6556%0.56135%0.345SS*.THydrogen-bonded Turntrans-57130.3167.1-172.239.5000110.8I4 V5I4-D68 HydrophobicContact CB-CB 4.26Å; I4-D68 HydrophobicContact CG2-CB 4.26Å; V5-D68 WeakPolarHBondContact CB-OD1 3.25Å; V5-D68 PolarHBondContact N-OD1 2.77Å
69G85.8Confident82.6Confident42 Ų4263.5 Ų63.543%0.43335%0.346SS..THydrogen-bonded Turntrans79.29.5-174.700000115.6V5 K67V5-G69 WeakPolarHBondContact O-CA 3.15Å; V5-G69 PolarHBondContact O-N 3.45Å; K67-G69 PolarHBondContact O-N 3.16Å
70C88Confident81.1Confident22 Ų2266 Ų6615%0.14936%0.358CS..  trans-66.1143.4178.8-85.80000112.9H7 F50 L66 K67H7-C70 PolarHBondContact N-O 3.1Å; F50-C70 HydrophobicContact CE2-CB 4.33Å; L66-C70 HydrophobicContact CD2-CB 4.41Å; K67-C70 PolarHBondContact N-SG 3.4Å; K67-C70 VanDerWaalsContact O-CB 3.25Å; K67-C70 WeakPolarHBondContact O-CB 3.32Å; K67-C70 PolarHBondContact O-N 3.2Å; K67-C70 VanDerWaalsContact O-N 3.11Å; K67-C70 PolarHBondContact O-SG 3.49Å; K67-C70 VanDerWaalsContact O-SG 3.39Å
71L89.8Confident79.6Confident79 Ų7970.2 Ų70.241%0.41438%0.382SS..EExtended strand (participates in β ladder)trans-97.8118.4172.3-171.173.4000110.2H7 K9 P17H7-L71 HydrophobicContact CB-CD1 3.8Å; H7-L71 CarbonylContact O-C 3.6Å; H7-L71 VanDerWaalsContact O-CA 3.31Å; H7-L71 WeakPolarHBondContact O-CA 3.27Å; K9-L71 HydrophobicContact CB-CD1 4.15Å; P17-L71 HydrophobicContact CB-CD1 4.02Å
72V90.7Very high78.3Confident3 Ų377 Ų772%0.01841%0.414CS..EExtended strand (participates in β ladder)trans-109.7143.2175.7-1780000108.7I6 H7 V8 K9 L48 I49 F50 L55 L66I6-V72 HydrophobicContact CG2-CB 4.47Å; I6-V72 HydrophobicContact CG2-CG2 3.78Å; H7-V72 PolarHBondContact O-N 3.18Å; V8-V72 CarbonylContact C-O 3.6Å; V8-V72 WeakPolarHBondContact CA-O 3.49Å; K9-V72 PolarHBondContact N-O 3.39Å; L48-V72 HydrophobicContact CB-CG1 4.09Å; L48-V72 HydrophobicContact CD2-CG1 3.8Å; L48-V72 HydrophobicContact CG-CG1 4.46Å; I49-V72 WeakPolarHBondContact O-CG1 3.04Å; F50-V72 HydrophobicContact CD2-CG2 4.2Å; L55-V72 HydrophobicContact CD1-CG1 4.09Å; L66-V72 HydrophobicContact CD2-CG2 3.81Å
73H90.7Very high77.3Confident70 Ų7077.3 Ų77.332%0.32441%0.409SS..EExtended strand (participates in β ladder)trans-96.2128.8174.5-64.6-63.4000110K9 L11 L48 I49K9-H73 CarbonylContact O-C 3.58Å; K9-H73 WeakPolarHBondContact O-CA 3.38Å; L11-H73 HydrophobicContact CD1-CB 3.94Å; L11-H73 HydrophobicContact CG-CB 4.21Å; L48-H73 CarbonylContact C-O 3.53Å; L48-H73 WeakPolarHBondContact CA-O 3.48Å; I49-H73 HydrophobicContact CB-CB 4.44Å; I49-H73 PolarHBondContact N-O 3.26Å; I49-H73 PolarHBondContact O-N 3.07Å
74L89.6Confident76.7Confident0 Ų077 Ų770%040%0.401CS..EExtended strand (participates in β ladder)trans-101.1121171.6175.865.8000109.2V8 K9 V10 L11 L39 Q46 L48 L76V8-L74 HydrophobicContact CG1-CB 3.66Å; K9-L74 PolarHBondContact O-N 3.21Å; V10-L74 HydrophobicContact CG1-CD2 4.35Å; V10-L74 HydrophobicContact CG2-CB 4.47Å; V10-L74 HydrophobicContact CG2-CD2 4.03Å; L11-L74 PolarHBondContact N-O 2.92Å; L39-L74 HydrophobicContact CD1-CD2 3.39Å; Q46-L74 HydrophobicContact CB-CD1 3.7Å; Q46-L74 HydrophobicContact CG-CD1 4.03Å; Q46-L74 HydrophobicContact CG-CD2 4.5Å; L48-L74 HydrophobicContact CD2-CB 3.98Å; L48-L74 HydrophobicContact CD2-CD1 3.77Å; L48-L74 HydrophobicContact CD2-CG 4.44Å; L48-L74 HydrophobicContact CG-CD1 4.2Å; L74-L76 HydrophobicContact CD2-CD2 4.35Å; L74-L76 HydrophobicContact CG-CD2 4.47Å
75L88Confident76.2Confident65 Ų6578.5 Ų78.534%0.3441%0.408SS..EExtended strand (participates in β ladder)trans-98.3136.2166.6-74179.1000110L11 S47 I49L11-L75 HydrophobicContact CB-CD2 3.81Å; L11-L75 HydrophobicContact CD1-CD2 3.48Å; L11-L75 VanDerWaalsContact CD1-CD2 3.48Å; L11-L75 HydrophobicContact CD1-CG 4.02Å; L11-L75 HydrophobicContact CG-CD2 4.22Å; S47-L75 PolarHBondContact N-O 2.99Å; S47-L75 PolarHBondContact O-N 3.34Å; I49-L75 HydrophobicContact CD1-CD1 3.24Å; I49-L75 HydrophobicContact CD1-CG 3.94Å; I49-L75 HydrophobicContact CG1-CD1 4.38Å
76L83.9Confident75.8Confident40 Ų4075.7 Ų75.721%0.20940%0.395CS..EExtended strand (participates in β ladder)trans-92115.9170-59.4179.4000108.2V10 V13 V41 L74V10-L76 HydrophobicContact CG1-CD1 4.24Å; V10-L76 HydrophobicContact CG1-CG 4.3Å; V13-L76 HydrophobicContact CG2-CD1 4.18Å; V41-L76 HydrophobicContact CB-CD2 4.48Å; V41-L76 HydrophobicContact CG1-CD2 3.84Å; V41-L76 HydrophobicContact CG2-CD2 4.2Å; L74-L76 HydrophobicContact CD2-CD2 4.35Å; L74-L76 HydrophobicContact CG-CD2 4.47Å
77L80.7Confident75.3Confident116 Ų11678.5 Ų78.561%0.60742%0.415SS*.SBendtrans-72.9-32.4-175.4-73.3164.8000112.6E45E45-L77 PolarHBondContact O-N 3Å
78K68.1Low74.9Confident131 Ų13175.1 Ų75.157%0.5740%0.398SS*.SBendtrans-96.5113.6175.5-66.3-167.3-166.7158.20109.8E45 H80E45-K78 HydrophobicContact CG-CD 4.23Å; E45-K78 HydrophobicContact CG-CG 4.39Å; E45-K78 VanDerWaalsContact OE1-CD 3.26Å; E45-K78 WeakPolarHBondContact OE1-CD 3.41Å; E45-K78 VanDerWaalsContact OE1-CE 3.28Å; E45-K78 WeakPolarHBondContact OE1-CE 3.48Å; E45-K78 IonicContact OE1-NZ 2.72Å; E45-K78 PolarHBondContact OE1-NZ 3.49Å; K78-H80 PolarHBondContact O-N 3.07Å
79T54.2Low74.4Confident116 Ų11671.1 Ų71.171%0.71238%0.377SS*.  trans-54.8125.1163.450.70000108.3T81T79-T81 PolarHBondContact O-N 3.02Å
80H53.4Low74.1Confident113 Ų11372.6 Ų72.652%0.52337%0.372SS..SBendtrans-57.859.5-178.6-75.3-113.8000114.3K78K78-H80 PolarHBondContact O-N 3.07Å
81T51.6Low73.7Confident129 Ų12978.6 Ų78.679%0.79140%0.396SS*.SBendtrans-73.2-26.3168480000110.9T79T79-T81 PolarHBondContact O-N 3.02Å
82H53.3Low73.2Confident142 Ų14281 Ų8166%0.65740%0.403SS*.  trans-151.975.9174-152.3-96.1000108.6D84H82-D84 VanDerWaalsContact C-N 3.27Å; H82-D84 PolarHBondContact O-N 3.44Å
83F60.5Low72.6Confident84 Ų8482.2 Ų82.237%0.36841%0.41SS..  trans-59.5106158.5173.9-103.1000105F85F83-F85 HydrophobicContact CD1-CB 3.6Å; F83-F85 HydrophobicContact CE1-CB 3.61Å; F83-F85 AromaticContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CG 4.13Å; F83-F85 PolarHBondContact O-N 2.85Å
84D68.6Low72Confident59 Ų5981.2 Ų81.232%0.31641%0.41SS..  trans-77.763.2-173.5-165.2-4.5000109.6H82 T86 S87 R88H82-D84 VanDerWaalsContact C-N 3.27Å; H82-D84 PolarHBondContact O-N 3.44Å; D84-T86 PolarHBondContact O-N 2.77Å; D84-S87 PolarHBondContact O-N 3.36Å; D84-S87 VanDerWaalsContact OD1-CB 3.22Å; D84-S87 WeakPolarHBondContact OD1-CB 3.46Å; D84-S87 PolarHBondContact OD1-N 2.99Å; D84-S87 PolarHBondContact OD1-OG 2.89Å; D84-S87 WeakPolarHBondContact OD2-CB 3.36Å; D84-S87 PolarHBondContact OD2-OG 2.87Å; D84-R88 WeakPolarHBondContact O-CB 3.37Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 2.8Å; D84-R88 VanDerWaalsContact O-N 3.11Å
85F70.9Confident71.4Confident61 Ų6187.6 Ų87.627%0.26844%0.444SS..Hα-helixtrans-55-43.8174.5178-113.2000109.2F83 R88 L89 I114 I118F83-F85 HydrophobicContact CD1-CB 3.6Å; F83-F85 HydrophobicContact CE1-CB 3.61Å; F83-F85 AromaticContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CG 4.13Å; F83-F85 PolarHBondContact O-N 2.85Å; F85-R88 PolarHBondContact O-N 3.23Å; F85-L89 HydrophobicContact CD1-CD2 4.42Å; F85-L89 HydrophobicContact CE1-CB 4.45Å; F85-L89 HydrophobicContact CE1-CD2 3.59Å; F85-L89 HydrophobicContact CE2-CB 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.37Å; F85-L89 HydrophobicContact CZ-CD2 3.68Å; F85-L89 HydrophobicContact CZ-CG 4.41Å; F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 PolarHBondContact O-N 3.15Å; F85-I114 HydrophobicContact CE1-CG2 3.71Å; F85-I114 HydrophobicContact CZ-CG2 3.69Å; F85-I118 HydrophobicContact CD1-CD1 4.22Å; F85-I118 HydrophobicContact CE1-CD1 3.51Å; F85-I118 HydrophobicContact CE2-CD1 4.41Å; F85-I118 HydrophobicContact CZ-CD1 3.6Å
86T71.8Confident70.8Confident59 Ų5988 Ų8836%0.36245%0.453SS..Hα-helixtrans-56.2-55.7179.9-48.10000111.5D84 R88 L89 H90 V111D84-T86 PolarHBondContact O-N 2.77Å; T86-R88 VanDerWaalsContact C-N 3.32Å; T86-R88 PolarHBondContact O-N 3.42Å; T86-L89 PolarHBondContact O-N 3.11Å; T86-H90 VanDerWaalsContact O-CB 3.24Å; T86-H90 WeakPolarHBondContact O-CB 3.49Å; T86-H90 PolarHBondContact O-N 2.89Å; T86-V111 HydrophobicContact CG2-CG1 3.41Å; T86-V111 VanDerWaalsContact CG2-CG1 3.41Å
87S72.7Confident70.5Confident65 Ų6589 Ų8946%0.45546%0.458SS..Hα-helixtrans-65.2-35.2179.6-640000112.7D84 K91D84-S87 PolarHBondContact O-N 3.36Å; D84-S87 VanDerWaalsContact OD1-CB 3.22Å; D84-S87 WeakPolarHBondContact OD1-CB 3.46Å; D84-S87 PolarHBondContact OD1-N 2.99Å; D84-S87 PolarHBondContact OD1-OG 2.89Å; D84-S87 WeakPolarHBondContact OD2-CB 3.36Å; D84-S87 PolarHBondContact OD2-OG 2.87Å; S87-K91 WeakPolarHBondContact O-CB 3.3Å; S87-K91 PolarHBondContact O-N 2.71Å
88R73.8Confident70.1Confident77 Ų7787.5 Ų87.529%0.29146%0.455SS..Hα-helixtrans-70.8-44.5177.8-77.9-174.3169.8146.4-8.3113.1F40 P42 D84 F85 T86 H90 K91 F92F40-R88 PolarHBondContact O-NH1 3.19Å; F40-R88 PolarHBondContact O-NH2 3.06Å; F40-R88 VanDerWaalsContact O-NH2 3.15Å; P42-R88 VanDerWaalsContact CG-NH2 3.26Å; D84-R88 WeakPolarHBondContact O-CB 3.37Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 2.8Å; D84-R88 VanDerWaalsContact O-N 3.11Å; F85-R88 PolarHBondContact O-N 3.23Å; T86-R88 VanDerWaalsContact C-N 3.32Å; T86-R88 PolarHBondContact O-N 3.42Å; R88-H90 VanDerWaalsContact C-N 3.29Å; R88-K91 PolarHBondContact O-N 2.59Å; R88-F92 VanDerWaalsContact O-CB 3.29Å; R88-F92 WeakPolarHBondContact O-CB 3.47Å; R88-F92 PolarHBondContact O-N 2.77Å
89L77.2Confident70.2Confident21 Ų2189.2 Ų89.211%0.1147%0.471CS..Hα-helixtrans-63.6-42.7176.6-178.761.7000109.3F85 T86 K91 F92 L93 V111 I114F85-L89 HydrophobicContact CD1-CD2 4.42Å; F85-L89 HydrophobicContact CE1-CB 4.45Å; F85-L89 HydrophobicContact CE1-CD2 3.59Å; F85-L89 HydrophobicContact CE2-CB 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.37Å; F85-L89 HydrophobicContact CZ-CD2 3.68Å; F85-L89 HydrophobicContact CZ-CG 4.41Å; F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 PolarHBondContact O-N 3.15Å; T86-L89 PolarHBondContact O-N 3.11Å; L89-K91 PolarHBondContact O-N 3.42Å; L89-F92 PolarHBondContact O-N 3.45Å; L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.2Å; L89-L93 HydrophobicContact CG-CD1 4.16Å; L89-L93 HydrophobicContact CG-CG 4.48Å; L89-L93 WeakPolarHBondContact O-CB 3.17Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.44Å; L89-V111 HydrophobicContact CB-CG2 4.2Å; L89-V111 HydrophobicContact CD2-CB 4.31Å; L89-V111 HydrophobicContact CD2-CG1 4.43Å; L89-V111 HydrophobicContact CD2-CG2 4.09Å; L89-V111 HydrophobicContact CG-CG2 3.86Å; L89-I114 HydrophobicContact CD1-CD1 4.29Å; L89-I114 HydrophobicContact CD2-CB 3.8Å; L89-I114 HydrophobicContact CD2-CD1 3.79Å; L89-I114 HydrophobicContact CD2-CG1 4.37Å; L89-I114 HydrophobicContact CD2-CG2 3.93Å
90H79.1Confident71.1Confident73 Ų7388.6 Ų88.634%0.33846%0.463SS..Hα-helixtrans-58.5-50173.6-173.7-79.3000111.3T86 R88 F92 L93 S94 V111T86-H90 VanDerWaalsContact O-CB 3.24Å; T86-H90 WeakPolarHBondContact O-CB 3.49Å; T86-H90 PolarHBondContact O-N 2.89Å; R88-H90 VanDerWaalsContact C-N 3.29Å; H90-F92 VanDerWaalsContact C-N 3.34Å; H90-F92 PolarHBondContact O-N 2.98Å; H90-L93 PolarHBondContact O-N 3.36Å; H90-S94 VanDerWaalsContact O-CB 3.31Å; H90-S94 WeakPolarHBondContact O-CB 3.2Å; H90-S94 PolarHBondContact O-N 3.1Å; H90-S94 PolarHBondContact O-OG 2.84Å; H90-V111 HydrophobicContact CB-CG2 3.87Å
91K80.1Confident72Confident147 Ų14792.5 Ų92.564%0.63948%0.478SS*.Hα-helixtrans-62-40.7177.6-173.8173.9-178.2177.10112.3S87 R88 L89 S94 N95S87-K91 WeakPolarHBondContact O-CB 3.3Å; S87-K91 PolarHBondContact O-N 2.71Å; R88-K91 PolarHBondContact O-N 2.59Å; L89-K91 PolarHBondContact O-N 3.42Å; K91-S94 WeakPolarHBondContact CA-OG 3.04Å; K91-S94 PolarHBondContact O-OG 3.15Å; K91-N95 VanDerWaalsContact O-CB 3.24Å; K91-N95 WeakPolarHBondContact O-CB 3.23Å; K91-N95 PolarHBondContact O-N 3.37Å
92F78.9Confident73.1Confident129 Ų12994.5 Ų94.557%0.56648%0.476SS*.Hα-helixtrans-63.2-48.7178.2174-97.8000111.2R88 L89 H90 N95 S96R88-F92 VanDerWaalsContact O-CB 3.29Å; R88-F92 WeakPolarHBondContact O-CB 3.47Å; R88-F92 PolarHBondContact O-N 2.77Å; L89-F92 PolarHBondContact O-N 3.45Å; H90-F92 VanDerWaalsContact C-N 3.34Å; H90-F92 PolarHBondContact O-N 2.98Å; F92-N95 PolarHBondContact O-N 3.26Å; F92-S96 WeakPolarHBondContact O-CB 3.26Å; F92-S96 PolarHBondContact O-N 3.17Å; F92-S96 VanDerWaalsContact O-N 3.08Å; F92-S96 PolarHBondContact O-OG 3.27Å
93L77.2Confident73.9Confident30 Ų3088.4 Ų88.416%0.15745%0.449CS..Hα-helixtrans-65.4-45178-69.5179.5000110.9L89 H90 N95 S96 L97 T107 C110 V111L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.2Å; L89-L93 HydrophobicContact CG-CD1 4.16Å; L89-L93 HydrophobicContact CG-CG 4.48Å; L89-L93 WeakPolarHBondContact O-CB 3.17Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.44Å; H90-L93 PolarHBondContact O-N 3.36Å; L93-N95 VanDerWaalsContact C-N 3.25Å; L93-N95 PolarHBondContact O-N 3.02Å; L93-S96 PolarHBondContact O-N 2.74Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å; L93-T107 HydrophobicContact CB-CG2 3.5Å; L93-T107 VanDerWaalsContact CB-CG2 3.5Å; L93-T107 HydrophobicContact CD1-CG2 4.2Å; L93-C110 HydrophobicContact CD1-CB 3.63Å; L93-V111 HydrophobicContact CD1-CG2 4.03Å
94S78.7Confident74.4Confident48 Ų4890.5 Ų90.534%0.33646%0.462SS..Hα-helixtrans-62.8-32.1178.2710000112.7H90 K91 S96H90-S94 VanDerWaalsContact O-CB 3.31Å; H90-S94 WeakPolarHBondContact O-CB 3.2Å; H90-S94 PolarHBondContact O-N 3.1Å; H90-S94 PolarHBondContact O-OG 2.84Å; K91-S94 WeakPolarHBondContact CA-OG 3.04Å; K91-S94 PolarHBondContact O-OG 3.15Å; S94-S96 VanDerWaalsContact C-N 3.35Å
95N77.1Confident74.8Confident134 Ų13493.1 Ų93.172%0.71748%0.475SS*.Hα-helixtrans-81.1-16.1176.8-146.4111.5000113.1K91 F92 L93K91-N95 VanDerWaalsContact O-CB 3.24Å; K91-N95 WeakPolarHBondContact O-CB 3.23Å; K91-N95 PolarHBondContact O-N 3.37Å; F92-N95 PolarHBondContact O-N 3.26Å; L93-N95 VanDerWaalsContact C-N 3.25Å; L93-N95 PolarHBondContact O-N 3.02Å
96S75.9Confident75.1Confident75 Ų7594.4 Ų94.452%0.52448%0.484SS..Hα-helixtrans-102.3-21.8-178.9-53.70000113.3F92 L93 S94F92-S96 WeakPolarHBondContact O-CB 3.26Å; F92-S96 PolarHBondContact O-N 3.17Å; F92-S96 VanDerWaalsContact O-N 3.08Å; F92-S96 PolarHBondContact O-OG 3.27Å; L93-S96 PolarHBondContact O-N 2.74Å; S94-S96 VanDerWaalsContact C-N 3.35Å
97L76.3Confident75.5Confident60 Ų6091.7 Ų91.731%0.31447%0.467SS..SBendtrans-99.4146.6-180-123.961.4000110.5L93 I106L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å; L97-I106 HydrophobicContact CD2-CB 4.2Å; L97-I106 HydrophobicContact CD2-CG2 3.94Å
98P73.6Confident75.9Confident85 Ų8593.5 Ų93.555%0.55247%0.469SS*.  trans-59.2146.3176.2-22.433.1000112.3D100 S103P98-D100 PolarHBondContact O-N 3.42Å; P98-S103 WeakPolarHBondContact O-CB 3.17Å; P98-S103 PolarHBondContact O-OG 3.44Å
99D68.9Low76.3Confident167 Ų16796 Ų9689%0.89348%0.483SS*.SBendtrans-69.453.9-178.8-73-45000113.9
100D73.9Confident76.5Confident102 Ų10297.3 Ų97.355%0.54549%0.494SS..  trans-100.1145.2173.4-67-57.8000110.4P98 K102 S103 M104P98-D100 PolarHBondContact O-N 3.42Å; D100-K102 PolarHBondContact O-N 3.44Å; D100-K102 VanDerWaalsContact O-N 3.09Å; D100-S103 WeakPolarHBondContact O-CA 3.35Å; D100-S103 VanDerWaalsContact O-CB 3.25Å; D100-S103 WeakPolarHBondContact O-CB 3.36Å; D100-S103 PolarHBondContact O-N 2.88Å; D100-M104 PolarHBondContact O-N 2.9Å; D100-M104 VanDerWaalsContact O-N 3.12Å
101K72.2Confident76.7Confident195 Ų19594 Ų9485%0.84848%0.479SS*.Hα-helixtrans-53.8-33.5173.3-75179.7178.9175.40112.7M104 L105K101-M104 PolarHBondContact O-N 2.72Å; K101-L105 PolarHBondContact O-N 2.66Å
102K73.7Confident76.8Confident171 Ų17190.5 Ų90.574%0.74347%0.467SS*.Hα-helixtrans-68.6-38.6175.3-67.9-178-178.91770111.7D100 M104 L105 I106D100-K102 PolarHBondContact O-N 3.44Å; D100-K102 VanDerWaalsContact O-N 3.09Å; K102-M104 VanDerWaalsContact C-N 3.28Å; K102-M104 PolarHBondContact O-N 3.16Å; K102-L105 PolarHBondContact O-N 3.5Å; K102-I106 VanDerWaalsContact O-CG1 3.29Å; K102-I106 WeakPolarHBondContact O-CG1 3.29Å; K102-I106 PolarHBondContact O-N 3.07Å
103S70.7Confident77.2Confident14 Ų1491.4 Ų91.410%0.09847%0.468CS..Hα-helixtrans-63.1-34.9175.7-59.80000112.2P98 D100 I106 T107P98-S103 WeakPolarHBondContact O-CB 3.17Å; P98-S103 PolarHBondContact O-OG 3.44Å; D100-S103 WeakPolarHBondContact O-CA 3.35Å; D100-S103 VanDerWaalsContact O-CB 3.25Å; D100-S103 WeakPolarHBondContact O-CB 3.36Å; D100-S103 PolarHBondContact O-N 2.88Å; S103-I106 PolarHBondContact O-N 3.39Å; S103-T107 VanDerWaalsContact O-CB 3.29Å; S103-T107 WeakPolarHBondContact O-CB 3.46Å; S103-T107 PolarHBondContact O-N 2.89Å; S103-T107 PolarHBondContact O-OG1 3.16Å
104M70.7Confident77.4Confident129 Ų12992.6 Ų92.664%0.63547%0.474SS*.Hα-helixtrans-63.9-43.8174.8-162175.480.100111.4D100 K101 K102 T107 E108D100-M104 PolarHBondContact O-N 2.9Å; D100-M104 VanDerWaalsContact O-N 3.12Å; K101-M104 PolarHBondContact O-N 2.72Å; K102-M104 VanDerWaalsContact C-N 3.28Å; K102-M104 PolarHBondContact O-N 3.16Å; M104-T107 WeakPolarHBondContact O-CB 3.15Å; M104-T107 PolarHBondContact O-N 3.42Å; M104-E108 PolarHBondContact O-N 2.9Å
105L78Confident77.5Confident113 Ų11391.1 Ų91.159%0.59246%0.463SS*.Hα-helixtrans-64.9-41.3175-175.567.4000112.1K101 K102 T107 E108 H109K101-L105 PolarHBondContact O-N 2.66Å; K102-L105 PolarHBondContact O-N 3.5Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 2.83Å; L105-E108 PolarHBondContact O-N 2.87Å; L105-H109 VanDerWaalsContact O-CB 3.28Å; L105-H109 WeakPolarHBondContact O-CB 3.42Å; L105-H109 PolarHBondContact O-N 3.22Å
106I77.5Confident77.8Confident88 Ų8889.9 Ų89.945%0.45146%0.457SS..Hα-helixtrans-62.3-42.4174.9-66.9162.9000109.9L97 K102 S103 H109 C110L97-I106 HydrophobicContact CD2-CB 4.2Å; L97-I106 HydrophobicContact CD2-CG2 3.94Å; K102-I106 VanDerWaalsContact O-CG1 3.29Å; K102-I106 WeakPolarHBondContact O-CG1 3.29Å; K102-I106 PolarHBondContact O-N 3.07Å; S103-I106 PolarHBondContact O-N 3.39Å; I106-H109 PolarHBondContact O-N 3.3Å; I106-C110 WeakPolarHBondContact O-CB 3.49Å; I106-C110 PolarHBondContact O-N 2.74Å; I106-C110 PolarHBondContact O-SG 2.65Å
107T78.8Confident78.1Confident2 Ų290.1 Ų90.11%0.01245%0.449CS..Hα-helixtrans-61-52178.1-63.90000111L93 S103 M104 L105 H109 C110 V111L93-T107 HydrophobicContact CB-CG2 3.5Å; L93-T107 VanDerWaalsContact CB-CG2 3.5Å; L93-T107 HydrophobicContact CD1-CG2 4.2Å; S103-T107 VanDerWaalsContact O-CB 3.29Å; S103-T107 WeakPolarHBondContact O-CB 3.46Å; S103-T107 PolarHBondContact O-N 2.89Å; S103-T107 PolarHBondContact O-OG1 3.16Å; M104-T107 WeakPolarHBondContact O-CB 3.15Å; M104-T107 PolarHBondContact O-N 3.42Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 2.83Å; T107-H109 PolarHBondContact O-N 3.12Å; T107-C110 PolarHBondContact O-N 3.27Å; T107-V111 HydrophobicContact CG2-CG2 4.46Å; T107-V111 WeakPolarHBondContact O-CB 3.22Å; T107-V111 WeakPolarHBondContact O-CG2 3.24Å; T107-V111 PolarHBondContact O-N 2.94Å
108E80.7Confident78.1Confident103 Ų10390.4 Ų90.448%0.48145%0.45SS..Hα-helixtrans-59.3-47177.2-176.8-177.2-154.100111.7M104 L105 C110 V111 N112M104-E108 PolarHBondContact O-N 2.9Å; L105-E108 PolarHBondContact O-N 2.87Å; E108-C110 PolarHBondContact O-N 3.11Å; E108-V111 PolarHBondContact O-N 2.89Å; E108-N112 PolarHBondContact O-N 3.48Å; E108-N112 PolarHBondContact O-ND2 3.47Å
109H83.2Confident78.4Confident129 Ų12992.7 Ų92.760%0.59746%0.457SS*.Hα-helixtrans-63.2-42.7178.9-171.3-11.2000111.6L105 I106 T107 V111 N112 Y113L105-H109 VanDerWaalsContact O-CB 3.28Å; L105-H109 WeakPolarHBondContact O-CB 3.42Å; L105-H109 PolarHBondContact O-N 3.22Å; I106-H109 PolarHBondContact O-N 3.3Å; T107-H109 PolarHBondContact O-N 3.12Å; H109-V111 VanDerWaalsContact C-N 3.35Å; H109-N112 PolarHBondContact O-N 3.43Å; H109-Y113 VanDerWaalsContact O-CB 3.24Å; H109-Y113 WeakPolarHBondContact O-CB 3.19Å; H109-Y113 PolarHBondContact O-N 3.46Å
110C81.6Confident79.2Confident50 Ų5088.8 Ų88.834%0.33844%0.443SS..Hα-helixtrans-62.9-42.1176.1-77.50000111.5L93 I106 T107 E108 Y113 I114L93-C110 HydrophobicContact CD1-CB 3.63Å; I106-C110 WeakPolarHBondContact O-CB 3.49Å; I106-C110 PolarHBondContact O-N 2.74Å; I106-C110 PolarHBondContact O-SG 2.65Å; T107-C110 PolarHBondContact O-N 3.27Å; E108-C110 PolarHBondContact O-N 3.11Å; C110-Y113 PolarHBondContact O-N 3.35Å; C110-I114 WeakPolarHBondContact O-CB 3.41Å; C110-I114 WeakPolarHBondContact O-CD1 3.12Å; C110-I114 WeakPolarHBondContact O-CG1 3.47Å; C110-I114 PolarHBondContact O-N 3.27Å
111V83Confident79.4Confident4 Ų485.2 Ų85.22%0.02442%0.424CS..Hα-helixtrans-59.5-52.4176.6170.80000110.2T86 L89 H90 L93 T107 E108 H109 Y113 I114 C115T86-V111 HydrophobicContact CG2-CG1 3.41Å; T86-V111 VanDerWaalsContact CG2-CG1 3.41Å; L89-V111 HydrophobicContact CB-CG2 4.2Å; L89-V111 HydrophobicContact CD2-CB 4.31Å; L89-V111 HydrophobicContact CD2-CG1 4.43Å; L89-V111 HydrophobicContact CD2-CG2 4.09Å; L89-V111 HydrophobicContact CG-CG2 3.86Å; H90-V111 HydrophobicContact CB-CG2 3.87Å; L93-V111 HydrophobicContact CD1-CG2 4.03Å; T107-V111 HydrophobicContact CG2-CG2 4.46Å; T107-V111 WeakPolarHBondContact O-CB 3.22Å; T107-V111 WeakPolarHBondContact O-CG2 3.24Å; T107-V111 PolarHBondContact O-N 2.94Å; E108-V111 PolarHBondContact O-N 2.89Å; H109-V111 VanDerWaalsContact C-N 3.35Å; V111-Y113 PolarHBondContact O-N 2.9Å; V111-I114 PolarHBondContact O-N 3.39Å; V111-C115 WeakPolarHBondContact O-CB 3.5Å; V111-C115 PolarHBondContact O-N 2.96Å; V111-C115 PolarHBondContact O-SG 2.88Å
112N82.8Confident80Confident73 Ų7378.4 Ų78.439%0.3940%0.401SS..Hα-helixtrans-61.6-45.6-179.9-69.7-25.4000111.1E108 H109 I114 C115 D116E108-N112 PolarHBondContact O-N 3.48Å; E108-N112 PolarHBondContact O-ND2 3.47Å; H109-N112 PolarHBondContact O-N 3.43Å; N112-I114 VanDerWaalsContact C-N 3.33Å; N112-I114 PolarHBondContact O-N 2.85Å; N112-C115 PolarHBondContact O-N 3.26Å; N112-D116 WeakPolarHBondContact O-CB 3.19Å; N112-D116 PolarHBondContact O-N 2.88Å
113Y85.8Confident80.3Confident147 Ų14776.8 Ų76.858%0.57640%0.4SS*.Hα-helixtrans-58.6-43.3177.2177.8-96.9000112.4H109 C110 V111 F117H109-Y113 VanDerWaalsContact O-CB 3.24Å; H109-Y113 WeakPolarHBondContact O-CB 3.19Å; H109-Y113 PolarHBondContact O-N 3.46Å; C110-Y113 PolarHBondContact O-N 3.35Å; V111-Y113 PolarHBondContact O-N 2.9Å; Y113-F117 WeakPolarHBondContact O-CB 3.39Å; Y113-F117 PolarHBondContact O-N 3.3Å
114I83.1Confident80.8Confident55 Ų5582.1 Ų82.128%0.28243%0.427SS..Hα-helixtrans-72-37.6179.5-64.6165.4000110.9F85 L89 C110 V111 N112 F117 I118F85-I114 HydrophobicContact CE1-CG2 3.71Å; F85-I114 HydrophobicContact CZ-CG2 3.69Å; L89-I114 HydrophobicContact CD1-CD1 4.29Å; L89-I114 HydrophobicContact CD2-CB 3.8Å; L89-I114 HydrophobicContact CD2-CD1 3.79Å; L89-I114 HydrophobicContact CD2-CG1 4.37Å; L89-I114 HydrophobicContact CD2-CG2 3.93Å; C110-I114 WeakPolarHBondContact O-CB 3.41Å; C110-I114 WeakPolarHBondContact O-CD1 3.12Å; C110-I114 WeakPolarHBondContact O-CG1 3.47Å; C110-I114 PolarHBondContact O-N 3.27Å; V111-I114 PolarHBondContact O-N 3.39Å; N112-I114 VanDerWaalsContact C-N 3.33Å; N112-I114 PolarHBondContact O-N 2.85Å; I114-F117 PolarHBondContact O-N 3.5Å; I114-I118 HydrophobicContact CG2-CD1 3.88Å; I114-I118 HydrophobicContact CG2-CG1 4.39Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.24Å; I114-I118 PolarHBondContact O-N 3.44Å
115C80.1Confident81.3Confident17 Ų1779.2 Ų79.212%0.11541%0.412CS..Hα-helixtrans-63.1-51.3175.1-650000110.7V111 N112 F117 I118 D119V111-C115 WeakPolarHBondContact O-CB 3.5Å; V111-C115 PolarHBondContact O-N 2.96Å; V111-C115 PolarHBondContact O-SG 2.88Å; N112-C115 PolarHBondContact O-N 3.26Å; C115-F117 VanDerWaalsContact C-N 3.25Å; C115-F117 PolarHBondContact O-N 3.43Å; C115-I118 PolarHBondContact O-N 2.88Å; C115-I118 VanDerWaalsContact O-N 3.16Å; C115-D119 WeakPolarHBondContact O-CB 3.29Å; C115-D119 PolarHBondContact O-N 3.31Å
116D82.5Confident81.4Confident108 Ų10877.2 Ų77.258%0.57840%0.401SS*.Hα-helixtrans-58.4-40176.3-67.3-18.7000111.3N112 S120N112-D116 WeakPolarHBondContact O-CB 3.19Å; N112-D116 PolarHBondContact O-N 2.88Å; D116-S120 WeakPolarHBondContact O-CB 3.32Å; D116-S120 PolarHBondContact O-N 2.91Å; D116-S120 PolarHBondContact O-OG 3.18Å
117F82.6Confident81.4Confident81 Ų8177.5 Ų77.536%0.35540%0.4SS..Hα-helixtrans-62.3-52175.8-179-106.4000111Y113 I114 C115 D119 S120 L121 Y129Y113-F117 WeakPolarHBondContact O-CB 3.39Å; Y113-F117 PolarHBondContact O-N 3.3Å; I114-F117 PolarHBondContact O-N 3.5Å; C115-F117 VanDerWaalsContact C-N 3.25Å; C115-F117 PolarHBondContact O-N 3.43Å; F117-D119 VanDerWaalsContact C-N 3.3Å; F117-D119 PolarHBondContact O-N 3.38Å; F117-S120 WeakPolarHBondContact O-CB 3.41Å; F117-S120 PolarHBondContact O-N 2.79Å; F117-S120 PolarHBondContact O-OG 2.81Å; F117-L121 HydrophobicContact CD1-CD1 4.16Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.78Å; F117-L121 HydrophobicContact CE1-CD2 4.15Å; F117-L121 HydrophobicContact CE1-CG 4.22Å; F117-L121 HydrophobicContact CE2-CD2 4.18Å; F117-L121 HydrophobicContact CZ-CD1 4.32Å; F117-L121 HydrophobicContact CZ-CD2 3.84Å; F117-L121 HydrophobicContact CZ-CG 4.39Å; F117-L121 WeakPolarHBondContact O-CG 3.29Å; F117-L121 PolarHBondContact O-N 3.45Å; F117-Y129 HydrophobicContact CE1-CE2 4.49Å; F117-Y129 HydrophobicContact CZ-CE2 4.37Å
118I77.9Confident81.6Confident65 Ų6584 Ų8433%0.33343%0.425SS..Hα-helixtrans-60.3-41.5179.6-70.3169.5000111.3F85 I114 C115 S120 L121F85-I118 HydrophobicContact CD1-CD1 4.22Å; F85-I118 HydrophobicContact CE1-CD1 3.51Å; F85-I118 HydrophobicContact CE2-CD1 4.41Å; F85-I118 HydrophobicContact CZ-CD1 3.6Å; I114-I118 HydrophobicContact CG2-CD1 3.88Å; I114-I118 HydrophobicContact CG2-CG1 4.39Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.24Å; I114-I118 PolarHBondContact O-N 3.44Å; C115-I118 PolarHBondContact O-N 2.88Å; C115-I118 VanDerWaalsContact O-N 3.16Å; I118-S120 PolarHBondContact O-N 3.44Å; I118-L121 WeakPolarHBondContact O-CB 3.18Å; I118-L121 PolarHBondContact O-N 3.33Å; I118-L121 VanDerWaalsContact O-N 3.15Å
119D78.4Confident81.5Confident134 Ų13483.7 Ų83.772%0.71742%0.42SS*.Hα-helixtrans-67.8-24.7178.2-71.1-19.3000112.4C115 F117C115-D119 WeakPolarHBondContact O-CB 3.29Å; C115-D119 PolarHBondContact O-N 3.31Å; F117-D119 VanDerWaalsContact C-N 3.3Å; F117-D119 PolarHBondContact O-N 3.38Å
120S85.8Confident81Confident85 Ų8580.6 Ų80.659%0.59442%0.416SS*.Hα-helixtrans-80.7-15.8174.278.60000114D116 F117 I118D116-S120 WeakPolarHBondContact O-CB 3.32Å; D116-S120 PolarHBondContact O-N 2.91Å; D116-S120 PolarHBondContact O-OG 3.18Å; F117-S120 WeakPolarHBondContact O-CB 3.41Å; F117-S120 PolarHBondContact O-N 2.79Å; F117-S120 PolarHBondContact O-OG 2.81Å; I118-S120 PolarHBondContact O-N 3.44Å
121L79.5Confident80.6Confident26 Ų2683.7 Ų83.714%0.13642%0.424CS..SBendtrans-78.2137.7-177.9-66.1177.4000111.4F117 I118 E125 I126 Y129F117-L121 HydrophobicContact CD1-CD1 4.16Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.78Å; F117-L121 HydrophobicContact CE1-CD2 4.15Å; F117-L121 HydrophobicContact CE1-CG 4.22Å; F117-L121 HydrophobicContact CE2-CD2 4.18Å; F117-L121 HydrophobicContact CZ-CD1 4.32Å; F117-L121 HydrophobicContact CZ-CD2 3.84Å; F117-L121 HydrophobicContact CZ-CG 4.39Å; F117-L121 WeakPolarHBondContact O-CG 3.29Å; F117-L121 PolarHBondContact O-N 3.45Å; I118-L121 WeakPolarHBondContact O-CB 3.18Å; I118-L121 PolarHBondContact O-N 3.33Å; I118-L121 VanDerWaalsContact O-N 3.15Å; L121-E125 HydrophobicContact CB-CB 4.29Å; L121-E125 HydrophobicContact CD2-CB 4.11Å; L121-I126 HydrophobicContact CB-CD1 4.27Å; L121-I126 HydrophobicContact CB-CG1 3.74Å; L121-I126 HydrophobicContact CD1-CG1 4.19Å; L121-Y129 HydrophobicContact CD1-CD2 3.78Å; L121-Y129 HydrophobicContact CD1-CE2 3.76Å; L121-Y129 HydrophobicContact CD2-CE2 3.81Å; L121-Y129 HydrophobicContact CG-CE2 4.44Å
122S83.9Confident80Confident53 Ų5389.9 Ų89.937%0.37145%0.453SS..  trans-70.1158167.361.20000111.9D124 E125 I126S122-D124 PolarHBondContact O-N 3.48Å; S122-E125 PolarHBondContact N-OE2 2.93Å; S122-E125 VanDerWaalsContact N-OE2 3.07Å; S122-E125 WeakPolarHBondContact O-CB 3.45Å; S122-E125 PolarHBondContact O-N 2.89Å; S122-E125 VanDerWaalsContact OG-CG 3.26Å; S122-E125 WeakPolarHBondContact OG-CG 3.28Å; S122-E125 PolarHBondContact OG-N 3.45Å; S122-E125 PolarHBondContact OG-OE2 2.75Å; S122-I126 WeakPolarHBondContact O-CG1 3.37Å; S122-I126 PolarHBondContact O-N 3.19Å
123L80Confident78.7Confident137 Ų13794.8 Ų94.872%0.71747%0.471SS*.Hα-helixtrans-56.4-38.6176.7-174.264.5000111.9I126 E127L123-I126 PolarHBondContact O-N 2.82Å; L123-E127 WeakPolarHBondContact O-CB 3.29Å; L123-E127 PolarHBondContact O-N 3.08Å
124D81.3Confident77.1Confident126 Ų12690.6 Ų90.667%0.67446%0.462SS*.Hα-helixtrans-63.7-39175.5-66.3-74.9000112.4S122 E127 R128S122-D124 PolarHBondContact O-N 3.48Å; D124-E127 PolarHBondContact O-N 3.28Å; D124-R128 VanDerWaalsContact O-CB 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.31Å; D124-R128 PolarHBondContact O-N 3.02Å
125E81.7Confident75.5Confident67 Ų6794.1 Ų94.131%0.31348%0.481SS..Hα-helixtrans-69.6-41.8176-74.8174.8117.200112.1L121 S122 E127 R128 Y129L121-E125 HydrophobicContact CB-CB 4.29Å; L121-E125 HydrophobicContact CD2-CB 4.11Å; S122-E125 PolarHBondContact N-OE2 2.93Å; S122-E125 VanDerWaalsContact N-OE2 3.07Å; S122-E125 WeakPolarHBondContact O-CB 3.45Å; S122-E125 PolarHBondContact O-N 2.89Å; S122-E125 VanDerWaalsContact OG-CG 3.26Å; S122-E125 WeakPolarHBondContact OG-CG 3.28Å; S122-E125 PolarHBondContact OG-N 3.45Å; S122-E125 PolarHBondContact OG-OE2 2.75Å; E125-E127 VanDerWaalsContact C-N 3.31Å; E125-E127 PolarHBondContact O-N 3.38Å; E125-R128 WeakPolarHBondContact O-CB 3.24Å; E125-R128 PolarHBondContact O-N 2.84Å; E125-R128 IonicContact OE1-NH2 2.63Å; E125-Y129 HydrophobicContact CB-CE2 4.4Å; E125-Y129 WeakPolarHBondContact O-CD2 3.29Å; E125-Y129 PolarHBondContact O-N 3.49Å
126I79.6Confident73.9Confident72 Ų7298.2 Ų98.237%0.36951%0.51SS..Hα-helixtrans-60.1-45.3174.6-63.3170.5000109.6L121 S122 L123 R128 Y129 A130L121-I126 HydrophobicContact CB-CD1 4.27Å; L121-I126 HydrophobicContact CB-CG1 3.74Å; L121-I126 HydrophobicContact CD1-CG1 4.19Å; S122-I126 WeakPolarHBondContact O-CG1 3.37Å; S122-I126 PolarHBondContact O-N 3.19Å; L123-I126 PolarHBondContact O-N 2.82Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.49Å; I126-Y129 PolarHBondContact O-N 3.4Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 3.02Å
127E77.9Confident72.1Confident93 Ų9397.9 Ų97.944%0.43552%0.516SS..Hα-helixtrans-62.8-40.9176.7-169-178.8166.500111.5L123 D124 E125 A130 K131L123-E127 WeakPolarHBondContact O-CB 3.29Å; L123-E127 PolarHBondContact O-N 3.08Å; D124-E127 PolarHBondContact O-N 3.28Å; E125-E127 VanDerWaalsContact C-N 3.31Å; E125-E127 PolarHBondContact O-N 3.38Å; E127-A130 PolarHBondContact O-N 2.97Å; E127-K131 HydrophobicContact CG-CD 4.15Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 VanDerWaalsContact O-CG 3.32Å; E127-K131 WeakPolarHBondContact O-CG 3.25Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 WeakPolarHBondContact OE1-CE 2.92Å; E127-K131 IonicContact OE1-NZ 3.46Å; E127-K131 PolarHBondContact OE1-NZ 3.37Å
128R82.8Confident70.2Confident139 Ų139100.6 Ų100.653%0.52553%0.529SS..Hα-helixtrans-60.5-46.9174.7-174.7-173.768.5-178.2-4.9111.6D124 E125 I126 K131 Q132D124-R128 VanDerWaalsContact O-CB 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.31Å; D124-R128 PolarHBondContact O-N 3.02Å; E125-R128 WeakPolarHBondContact O-CB 3.24Å; E125-R128 PolarHBondContact O-N 2.84Å; E125-R128 IonicContact OE1-NH2 2.63Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.49Å; R128-K131 PolarHBondContact O-N 3.27Å; R128-Q132 PolarHBondContact O-N 3.24Å; R128-Q132 VanDerWaalsContact O-N 3.1Å
129Y78.2Confident68.3Low97 Ų97102.3 Ų102.338%0.3855%0.548SS..Hα-helixtrans-64.4-41.1177.4-76.1-60000112F117 L121 E125 I126 Q132F117-Y129 HydrophobicContact CE1-CE2 4.49Å; F117-Y129 HydrophobicContact CZ-CE2 4.37Å; L121-Y129 HydrophobicContact CD1-CD2 3.78Å; L121-Y129 HydrophobicContact CD1-CE2 3.76Å; L121-Y129 HydrophobicContact CD2-CE2 3.81Å; L121-Y129 HydrophobicContact CG-CE2 4.44Å; E125-Y129 HydrophobicContact CB-CE2 4.4Å; E125-Y129 WeakPolarHBondContact O-CD2 3.29Å; E125-Y129 PolarHBondContact O-N 3.49Å; I126-Y129 PolarHBondContact O-N 3.4Å; Y129-Q132 PolarHBondContact O-N 3.4Å
130A72.6Confident66.3Low63 Ų63101.4 Ų101.452%0.52155%0.552SS.*Hα-helixtrans-63.3-42.3176.700000111.9I126 E127 Q132 K133 C134I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 3.02Å; E127-A130 PolarHBondContact O-N 2.97Å; A130-Q132 PolarHBondContact O-N 2.78Å; A130-K133 PolarHBondContact O-N 3.12Å; A130-C134 PolarHBondContact O-N 3.46Å
131K74Confident64.2Low116 Ų116102.2 Ų102.250%0.50456%0.564SS.*Hα-helixtrans-64.2-38.7177.8-79.3172.1169.5167.40112.7E127 R128 K133 C134 L135E127-K131 HydrophobicContact CG-CD 4.15Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 VanDerWaalsContact O-CG 3.32Å; E127-K131 WeakPolarHBondContact O-CG 3.25Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 WeakPolarHBondContact OE1-CE 2.92Å; E127-K131 IonicContact OE1-NZ 3.46Å; E127-K131 PolarHBondContact OE1-NZ 3.37Å; R128-K131 PolarHBondContact O-N 3.27Å; K131-K133 PolarHBondContact O-N 3.43Å; K131-C134 PolarHBondContact O-N 2.92Å; K131-L135 PolarHBondContact O-N 3.09Å
132Q68.7Low62.1Low134 Ų134104.8 Ų104.863%0.62660%0.596SS**Hα-helixtrans-58.5-34179.3-166.8176.77.300112.2R128 Y129 A130R128-Q132 PolarHBondContact O-N 3.24Å; R128-Q132 VanDerWaalsContact O-N 3.1Å; Y129-Q132 PolarHBondContact O-N 3.4Å; A130-Q132 PolarHBondContact O-N 2.78Å
133K55.4Low59.7Low176 Ų176107.5 Ų107.577%0.76562%0.615SS**Hα-helixtrans-76.1-26.8176.4-161.4169.2-175.9178.30113.2A130 K131A130-K133 PolarHBondContact O-N 3.12Å; K131-K133 PolarHBondContact O-N 3.43Å
134C53.5Low57.5Low59 Ų59106.3 Ų106.340%0.39962%0.618SS.*Hα-helixtrans-79.8-26.8177.8-135.50000112.7A130 K131 S136 S137A130-C134 PolarHBondContact O-N 3.46Å; K131-C134 PolarHBondContact O-N 2.92Å; C134-S136 PolarHBondContact O-N 2.78Å; C134-S137 PolarHBondContact O-N 2.88Å
135L49.5Very low55.4Low129 Ų129105.5 Ų105.568%0.67562%0.623SS**THydrogen-bonded Turntrans-61-13179.1-89.9146.5000114.7K131 S137K131-L135 PolarHBondContact O-N 3.09Å; L135-S137 VanDerWaalsContact C-N 3.29Å
136S46.4Very low53.1Low103 Ų103107.5 Ų107.572%0.7264%0.644SS**THydrogen-bonded Turntrans-79.1-6.8172.6-53.50000114.3C134C134-S136 PolarHBondContact O-N 2.78Å
137S45.3Very low51.2Low100 Ų100113.7 Ų113.770%0.69969%0.693SS**THydrogen-bonded Turntrans-118.2-10.8-175.3-540000115.4C134 L135C134-S137 PolarHBondContact O-N 2.88Å; L135-S137 VanDerWaalsContact C-N 3.29Å
138E41.4Very low49.9Very low138 Ų138114.7 Ų114.765%0.64571%0.706SS**  trans-10616.6-176.4-75.1-173.7120.800114.6S140E138-S140 PolarHBondContact O-N 2.74Å; E138-S140 VanDerWaalsContact O-N 3.1Å
139S37.9Very low48.1Very low102 Ų102113.4 Ų113.471%0.71372%0.716SS**THydrogen-bonded Turntrans-83.640.7172.269.20000113.2
140S37.3Very low46.5Very low115 Ų115114.3 Ų114.380%0.80473%0.734SS**THydrogen-bonded Turntrans-157.543.7176.6-55.60000113.9E138E138-S140 PolarHBondContact O-N 2.74Å; E138-S140 VanDerWaalsContact O-N 3.1Å
141A41.4Very low44.9Very low102 Ų102117.4 Ų117.484%0.84375%0.747SS**SBendtrans-150.4104167.100000110.8
142G35.2Very low43.1Very low79 Ų79117.4 Ų117.481%0.81476%0.762SS**  trans142.333.8171.300000115.9
143S34.6Very low41.4Very low111 Ų111116.3 Ų116.378%0.77677%0.771SS**  trans-73.4130.9156.5300000110
144S32.9Very low40.4Very low111 Ų111112.1 Ų112.178%0.77677%0.772SS**  trans58.2108.8147.959.60000119.4
145S36.9Very low39.4Very low110 Ų110116.2 Ų116.277%0.76980%0.8SS**  trans-160.798.5138.740.10000107.5
146S33.5Very low38.6Very low108 Ų108115.1 Ų115.176%0.75581%0.811SS**  71.393.190.5670000112.4
147S39.9Very low37.9Very low202 Ų202116.2 Ų116.2100%1.41382%0.819SS**  -173.40128.4-73.60000109.1

Retrieved 147 of 147 residues in 89.1 ms (Link to these results)