A0A5K4EZT6_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 446 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
1M48.1Very low83.5Confident229 Ų22974.7 Ų74.7100%1.12837%0.37SS*.  0108.40-84.1-175.5-92.800103.8Q3M1-Q3 PolarHBondContact O-N 3.02Å
2D60.2Low84Confident116 Ų11680.2 Ų80.262%0.6239%0.39SS*.  trans-58.7112.9173.1-68.6-27.7000106D4 H28D2-D4 PolarHBondContact O-N 3.4Å; D2-H28 IonicContact OD1-CD2 3.87Å
3Q79.1Confident84.1Confident129 Ų12981.2 Ų81.260%0.60339%0.391SS*.  trans-73.2122.5174.8-77.3178.7-1100106.2M1 Q27M1-Q3 PolarHBondContact O-N 3.02Å; Q3-Q27 HydrophobicContact CB-CG 4.44Å; Q3-Q27 VanDerWaalsContact CB-NE2 3.3Å; Q3-Q27 VanDerWaalsContact O-CG 3.24Å; Q3-Q27 WeakPolarHBondContact O-CG 3.39Å; Q3-Q27 PolarHBondContact O-N 3.28Å; Q3-Q27 VanDerWaalsContact O-N 3.13Å; Q3-Q27 VanDerWaalsContact OE1-NE2 3.1Å
4D86.2Confident84.2Confident109 Ų10989.5 Ų89.558%0.58343%0.425SS*.EExtended strand (participates in β ladder)trans-76.5144.3169.7-67.1-23000108.9D2 V25D2-D4 PolarHBondContact O-N 3.4Å; D4-V25 WeakPolarHBondContact CA-O 3.46Å
5V88.5Confident84.2Confident14 Ų1492.4 Ų92.49%0.08544%0.438CS..EExtended strand (participates in β ladder)trans-120.9141174.5171.20000108.4I7 V25 Q27 L71 I81V5-I7 HydrophobicContact CG1-CG2 4.33Å; V5-V25 PolarHBondContact N-O 2.99Å; V5-V25 PolarHBondContact O-N 2.95Å; V5-Q27 HydrophobicContact CB-CG 4.49Å; V5-Q27 HydrophobicContact CG2-CG 3.45Å; V5-Q27 VanDerWaalsContact CG2-CG 3.45Å; V5-L71 HydrophobicContact CG2-CD1 4.12Å; V5-I81 HydrophobicContact CG1-CD1 3.55Å; V5-I81 HydrophobicContact CG1-CG1 3.85Å
6Q92.1Very high84.3Confident95 Ų9589 Ų8944%0.44442%0.42SS..EExtended strand (participates in β ladder)trans-81.2129.7172.5-61.3-170.2-2.800109.1I23 E79 T80 I81Q6-I23 WeakPolarHBondContact CA-O 3.19Å; Q6-E79 WeakPolarHBondContact CB-O 3.36Å; Q6-E79 PolarHBondContact N-O 3.23Å; Q6-T80 HydrophobicContact CB-CG2 4.18Å; Q6-T80 CarbonylContact O-C 3.5Å; Q6-T80 VanDerWaalsContact O-CA 3.23Å; Q6-T80 WeakPolarHBondContact O-CA 3.48Å; Q6-I81 PolarHBondContact O-N 3.14Å
7I92.8Very high84.5Confident0 Ų088.9 Ų88.90%043%0.431CS..EExtended strand (participates in β ladder)trans-121147.2175.163.9165.5000109.9V5 F9 P22 I23 V25 L34 L67 I81 I83V5-I7 HydrophobicContact CG1-CG2 4.33Å; I7-F9 HydrophobicContact CD1-CE1 4.19Å; I7-F9 HydrophobicContact CD1-CE2 3.73Å; I7-F9 HydrophobicContact CD1-CZ 3.49Å; I7-F9 VanDerWaalsContact CD1-CZ 3.49Å; I7-P22 WeakPolarHBondContact O-CA 3.32Å; I7-I23 HydrophobicContact CG1-CB 4.38Å; I7-I23 WeakPolarHBondContact CG1-O 2.98Å; I7-I23 PolarHBondContact N-O 2.85Å; I7-I23 PolarHBondContact O-N 3.29Å; I7-V25 HydrophobicContact CB-CG2 4.48Å; I7-V25 HydrophobicContact CD1-CB 4.43Å; I7-V25 HydrophobicContact CD1-CG1 3.76Å; I7-V25 HydrophobicContact CD1-CG2 3.77Å; I7-V25 HydrophobicContact CG1-CG1 4.05Å; I7-V25 HydrophobicContact CG1-CG2 3.89Å; I7-V25 HydrophobicContact CG2-CG2 3.76Å; I7-L34 HydrophobicContact CD1-CD2 3.74Å; I7-L67 HydrophobicContact CG2-CD1 4.26Å; I7-I81 CarbonylContact C-O 3.59Å; I7-I81 VanDerWaalsContact CA-O 3.25Å; I7-I81 WeakPolarHBondContact CA-O 3.38Å; I7-I81 HydrophobicContact CG2-CB 4.3Å; I7-I83 HydrophobicContact CB-CD1 3.95Å; I7-I83 HydrophobicContact CB-CG1 4.38Å; I7-I83 HydrophobicContact CD1-CD1 4.01Å; I7-I83 HydrophobicContact CG2-CD1 3.88Å
8T93.1Very high84.6Confident14 Ų1484.6 Ų84.69%0.08641%0.411CS..EExtended strand (participates in β ladder)trans-116.3149.9164.978.30000109.1P22 T80 I81 D82 I83T8-P22 HydrophobicContact CG2-CB 4.39Å; T8-P22 HydrophobicContact CG2-CG 4.16Å; T8-T80 HydrophobicContact CG2-CG2 3.79Å; T8-I81 PolarHBondContact N-O 3.12Å; T8-D82 PolarHBondContact OG1-OD1 3.5Å; T8-I83 PolarHBondContact O-N 3.18Å
9F93.6Very high84.7Confident1 Ų184.2 Ų84.20%0.00442%0.415CS..EExtended strand (participates in β ladder)trans-109.5134.8173.5-70.9-65.2000110.1I7 V18 I23 L34 L37 V38 L41 F56 I83 F85I7-F9 HydrophobicContact CD1-CE1 4.19Å; I7-F9 HydrophobicContact CD1-CE2 3.73Å; I7-F9 HydrophobicContact CD1-CZ 3.49Å; I7-F9 VanDerWaalsContact CD1-CZ 3.49Å; F9-V18 HydrophobicContact CB-CG2 3.65Å; F9-I23 HydrophobicContact CD2-CD1 4.37Å; F9-I23 HydrophobicContact CE2-CD1 4.44Å; F9-L34 HydrophobicContact CE1-CD2 4.33Å; F9-L34 HydrophobicContact CZ-CD2 3.89Å; F9-L37 HydrophobicContact CE2-CB 4.36Å; F9-V38 HydrophobicContact CD1-CG2 3.92Å; F9-V38 HydrophobicContact CD2-CG2 4.22Å; F9-V38 HydrophobicContact CE1-CG2 3.82Å; F9-V38 HydrophobicContact CE2-CG2 4.12Å; F9-V38 HydrophobicContact CG-CG2 4.11Å; F9-V38 HydrophobicContact CZ-CG2 3.9Å; F9-L41 HydrophobicContact CD2-CD1 3.77Å; F9-L41 HydrophobicContact CE2-CD1 4.19Å; F9-F56 HydrophobicContact CD1-CE1 4.38Å; F9-F56 HydrophobicContact CE1-CD1 4.01Å; F9-F56 AromaticContact CE1-CE1 3.75Å; F9-F56 HydrophobicContact CE1-CE1 3.75Å; F9-I83 WeakPolarHBondContact CA-O 3.5Å; F9-I83 HydrophobicContact CD1-CB 3.98Å; F9-I83 HydrophobicContact CD1-CG2 4.19Å; F9-I83 HydrophobicContact CE1-CB 4.13Å; F9-I83 HydrophobicContact CE1-CD1 4.27Å; F9-I83 HydrophobicContact CE1-CG2 4.11Å; F9-F85 HydrophobicContact CB-CD1 3.99Å; F9-F85 HydrophobicContact CB-CE1 3.8Å; F9-F85 HydrophobicContact CD1-CD1 4.07Å; F9-F85 HydrophobicContact CG-CD1 4.4Å
10Y93.1Very high84.6Confident87 Ų8784.1 Ų84.134%0.34142%0.423SS..EExtended strand (participates in β ladder)trans-139.4157.4167.873.2-86.6000110.6D82 I83 E84 F85Y10-D82 HydrophobicContact CD1-CB 4.24Å; Y10-D82 HydrophobicContact CE1-CB 3.9Å; Y10-I83 PolarHBondContact N-O 3.35Å; Y10-E84 HydrophobicContact CD2-CB 4.35Å; Y10-E84 HydrophobicContact CD2-CG 4.17Å; Y10-E84 HydrophobicContact CE1-CB 4.01Å; Y10-E84 HydrophobicContact CE2-CB 3.69Å; Y10-E84 HydrophobicContact CE2-CG 3.65Å; Y10-E84 CarbonylContact O-C 3.59Å; Y10-E84 VanDerWaalsContact O-CA 3.27Å; Y10-E84 WeakPolarHBondContact O-CA 3.34Å; Y10-E84 PolarHBondContact OH-OE2 2.9Å; Y10-F85 WeakPolarHBondContact O-CD1 3.32Å; Y10-F85 PolarHBondContact O-N 3.41Å
11T92.2Very high84.8Confident28 Ų2882.8 Ų82.817%0.17243%0.426CS..  trans-144.7147177.4-174.10000110.9F13 Y16 F85T11-F13 VanDerWaalsContact CG2-O 3.31Å; T11-F13 WeakPolarHBondContact CG2-O 3.48Å; T11-F13 PolarHBondContact OG1-N 3.22Å; T11-F13 VanDerWaalsContact OG1-N 3.12Å; T11-Y16 WeakPolarHBondContact CG2-O 3.24Å; T11-F85 WeakPolarHBondContact CB-O 3.38Å; T11-F85 HydrophobicContact CG2-CE1 4.13Å; T11-F85 HydrophobicContact CG2-CE2 4.22Å; T11-F85 HydrophobicContact CG2-CZ 3.76Å; T11-F85 PolarHBondContact OG1-O 2.98Å
12K88.6Confident86.8Confident140 Ų14075.7 Ų75.761%0.60940%0.397SS*.SBendtrans-75.1-17.6169.4-64.6178.7-1791180111.8K14 E84K12-K14 PolarHBondContact O-N 2.56Å; K12-E84 WeakPolarHBondContact CD-OE1 3.4Å; K12-E84 WeakPolarHBondContact CE-OE1 3.48Å; K12-E84 IonicContact NZ-OE1 2.71Å; K12-E84 PolarHBondContact NZ-OE1 2.55Å; K12-E84 IonicContact NZ-OE2 3.02Å; K12-E84 PolarHBondContact NZ-OE2 3.05Å
13F86.2Confident88.3Confident94 Ų9472.4 Ų72.441%0.41238%0.379SS..  trans-88.896.8-178.3-66.3-92.3000110.8T11 Q15 Y16 C86T11-F13 VanDerWaalsContact CG2-O 3.31Å; T11-F13 WeakPolarHBondContact CG2-O 3.48Å; T11-F13 PolarHBondContact OG1-N 3.22Å; T11-F13 VanDerWaalsContact OG1-N 3.12Å; F13-Q15 PolarHBondContact O-N 3.13Å; F13-Y16 HydrophobicContact CB-CD2 3.76Å; F13-Y16 HydrophobicContact CG-CD2 4.45Å; F13-Y16 PolarHBondContact O-N 2.78Å; F13-C86 HydrophobicContact CD2-CB 3.86Å; F13-C86 HydrophobicContact CE2-CB 3.49Å; F13-C86 VanDerWaalsContact CE2-CB 3.49Å
14K84.7Confident88.9Confident197 Ų19769.4 Ų69.486%0.85738%0.376SS*.G310 helixtrans-51.2-31.8-177.1-67.2-174.4178.1-179.10114.6K12 Y16 S17K12-K14 PolarHBondContact O-N 2.56Å; K14-Y16 PolarHBondContact O-N 3.35Å; K14-S17 WeakPolarHBondContact O-CB 3.39Å; K14-S17 PolarHBondContact O-N 3.27Å
15Q83.9Confident89.1Confident133 Ų13364.5 Ų64.562%0.62135%0.35SS*.G310 helixtrans-68.1-17.4178.972.3-171.41600114.2F13F13-Q15 PolarHBondContact O-N 3.13Å
16Y86.9Confident89.2Confident38 Ų3866.6 Ų66.615%0.14936%0.364CS..G310 helixtrans-113.724.8176-54.2-61000111.5T11 F13 K14 V18 L42 Y51 P52 F54 F85 P87T11-Y16 WeakPolarHBondContact CG2-O 3.24Å; F13-Y16 HydrophobicContact CB-CD2 3.76Å; F13-Y16 HydrophobicContact CG-CD2 4.45Å; F13-Y16 PolarHBondContact O-N 2.78Å; K14-Y16 PolarHBondContact O-N 3.35Å; Y16-V18 PolarHBondContact O-N 3.2Å; Y16-L42 HydrophobicContact CD1-CD1 4.41Å; Y16-Y51 HydrophobicContact CD1-CD1 4.28Å; Y16-Y51 HydrophobicContact CE1-CD1 4.16Å; Y16-P52 HydrophobicContact CE1-CG 4.41Å; Y16-F54 HydrophobicContact CD1-CE1 4.12Å; Y16-F54 AromaticContact CD1-CZ 3.95Å; Y16-F54 HydrophobicContact CD1-CZ 3.95Å; Y16-F54 HydrophobicContact CD2-CE1 4.03Å; Y16-F54 HydrophobicContact CE1-CE1 4.44Å; Y16-F54 HydrophobicContact CE1-CZ 4.26Å; Y16-F54 HydrophobicContact CE2-CE1 4.36Å; Y16-F54 AromaticContact CG-CE1 3.91Å; Y16-F54 HydrophobicContact CG-CE1 3.91Å; Y16-F54 HydrophobicContact CG-CZ 4.17Å; Y16-F85 WeakPolarHBondContact O-CZ 3.23Å; Y16-P87 HydrophobicContact CD2-CG 3.9Å; Y16-P87 HydrophobicContact CE2-CG 3.35Å
17S87.1Confident88.9Confident88 Ų8863.5 Ų63.562%0.61535%0.35SS*.  trans-64.5125.4-179.7-168.30000110.7K14K14-S17 WeakPolarHBondContact O-CB 3.39Å; K14-S17 PolarHBondContact O-N 3.27Å
18V87.2Confident88.7Confident11 Ų1167.9 Ų67.97%0.06737%0.37CS..  trans-112.7159.3173.6-64.50000110.2F9 Y16 S20 L41 L42 F85F9-V18 HydrophobicContact CB-CG2 3.65Å; Y16-V18 PolarHBondContact O-N 3.2Å; V18-S20 PolarHBondContact O-N 3.04Å; V18-L41 HydrophobicContact CB-CB 4.23Å; V18-L41 HydrophobicContact CG1-CB 3.89Å; V18-L42 HydrophobicContact CG1-CD2 3.59Å; V18-L42 HydrophobicContact CG1-CG 3.78Å; V18-F85 HydrophobicContact CG1-CZ 4.05Å; V18-F85 HydrophobicContact CG2-CE1 3.63Å; V18-F85 HydrophobicContact CG2-CZ 3.75Å
19P85Confident88.6Confident76 Ų7667.4 Ų67.449%0.49437%0.367SS..  trans-60.4130.7172.6-2133000111.5A21P19-A21 PolarHBondContact O-N 3.19Å
20S83.3Confident88.6Confident82 Ų8269.7 Ų69.757%0.57338%0.381SS*.  trans-80.829.7179.3-50.30000113.6V18V18-S20 PolarHBondContact O-N 3.04Å
21A88.3Confident88.5Confident58 Ų5867.8 Ų67.848%0.47938%0.376SS..  trans-74.8137.9177.900000110.1P19 I23P19-A21 PolarHBondContact O-N 3.19Å; A21-I23 PolarHBondContact O-N 2.85Å
22P90.9Very high88.5Confident80 Ų8073.6 Ų73.652%0.51940%0.401SS..  trans-62.3134.2175.8-23.133.3000112.6I7 T8I7-P22 WeakPolarHBondContact O-CA 3.32Å; T8-P22 HydrophobicContact CG2-CB 4.39Å; T8-P22 HydrophobicContact CG2-CG 4.16Å
23I91.3Very high88.7Confident46 Ų4671.3 Ų71.324%0.23639%0.393CS..EExtended strand (participates in β ladder)trans-121131.5178-57.7169.8000108Q6 I7 F9 A21 V25 L41Q6-I23 WeakPolarHBondContact CA-O 3.19Å; I7-I23 HydrophobicContact CG1-CB 4.38Å; I7-I23 WeakPolarHBondContact CG1-O 2.98Å; I7-I23 PolarHBondContact N-O 2.85Å; I7-I23 PolarHBondContact O-N 3.29Å; F9-I23 HydrophobicContact CD2-CD1 4.37Å; F9-I23 HydrophobicContact CE2-CD1 4.44Å; A21-I23 PolarHBondContact O-N 2.85Å; I23-V25 HydrophobicContact CG2-CG1 4.15Å; I23-L41 HydrophobicContact CD1-CD1 3.66Å; I23-L41 HydrophobicContact CD1-CD2 4.07Å; I23-L41 HydrophobicContact CD1-CG 4.37Å
24A91.7Very high89Confident67 Ų6767 Ų6755%0.55437%0.374SS*.EExtended strand (participates in β ladder)trans-82124.8173.700000110.1
25V91Very high89.4Confident5 Ų557.7 Ų57.73%0.0333%0.334CS..EExtended strand (participates in β ladder)trans-130.9150.6175.9-60.30000110.9D4 V5 I7 I23 L37 L67D4-V25 WeakPolarHBondContact CA-O 3.46Å; V5-V25 PolarHBondContact N-O 2.99Å; V5-V25 PolarHBondContact O-N 2.95Å; I7-V25 HydrophobicContact CB-CG2 4.48Å; I7-V25 HydrophobicContact CD1-CB 4.43Å; I7-V25 HydrophobicContact CD1-CG1 3.76Å; I7-V25 HydrophobicContact CD1-CG2 3.77Å; I7-V25 HydrophobicContact CG1-CG1 4.05Å; I7-V25 HydrophobicContact CG1-CG2 3.89Å; I7-V25 HydrophobicContact CG2-CG2 3.76Å; I23-V25 HydrophobicContact CG2-CG1 4.15Å; V25-L37 HydrophobicContact CG1-CD1 3.66Å; V25-L67 HydrophobicContact CG2-CD1 4.03Å
26P90.4Very high89.8Confident59 Ų5955.8 Ų55.838%0.38333%0.328SS..EExtended strand (participates in β ladder)trans-59.1144.4172.4-2433.8000112.4H28 T29P26-H28 PolarHBondContact O-N 3.18Å; P26-T29 WeakPolarHBondContact CD-OG1 3.4Å; P26-T29 VanDerWaalsContact O-CB 3.23Å; P26-T29 WeakPolarHBondContact O-CB 3.47Å; P26-T29 PolarHBondContact O-N 2.93Å; P26-T29 PolarHBondContact O-OG1 3.31Å
27Q86.4Confident90Very high30 Ų3056.7 Ų56.714%0.1434%0.335CS..THydrogen-bonded Turntrans-57.7-32.9175.3-86.3177.21600113.9Q3 V5 T29 L67 H68 L71Q3-Q27 HydrophobicContact CB-CG 4.44Å; Q3-Q27 VanDerWaalsContact CB-NE2 3.3Å; Q3-Q27 VanDerWaalsContact O-CG 3.24Å; Q3-Q27 WeakPolarHBondContact O-CG 3.39Å; Q3-Q27 PolarHBondContact O-N 3.28Å; Q3-Q27 VanDerWaalsContact O-N 3.13Å; Q3-Q27 VanDerWaalsContact OE1-NE2 3.1Å; V5-Q27 HydrophobicContact CB-CG 4.49Å; V5-Q27 HydrophobicContact CG2-CG 3.45Å; V5-Q27 VanDerWaalsContact CG2-CG 3.45Å; Q27-T29 PolarHBondContact O-N 3.36Å; Q27-L67 CarbonylContact O-C 3.56Å; Q27-L67 WeakPolarHBondContact O-CB 3.23Å; Q27-H68 HydrophobicContact CB-CB 4.15Å; Q27-H68 WeakPolarHBondContact O-CA 3.33Å; Q27-H68 VanDerWaalsContact O-CB 3.32Å; Q27-H68 WeakPolarHBondContact O-CB 3.31Å; Q27-H68 PolarHBondContact O-N 3.13Å; Q27-H68 PolarHBondContact OE1-ND1 2.95Å; Q27-L71 HydrophobicContact CG-CD1 4.27Å
28H88.7Confident90.2Very high92 Ų9252.5 Ų52.543%0.42631%0.306SS..THydrogen-bonded Turntrans-79.79.3179.8-65.4-63.8000113.6D2 P26 T30 H68D2-H28 IonicContact OD1-CD2 3.87Å; P26-H28 PolarHBondContact O-N 3.18Å; H28-T30 PolarHBondContact O-N 3.34Å; H28-H68 AromaticContact CE1-CD2 3.58Å; H28-H68 AromaticContact CE1-CG 3.5Å; H28-H68 VanDerWaalsContact CE1-CG 3.5Å; H28-H68 AromaticContact CE1-ND1 3.89Å; H28-H68 AromaticContact CE1-NE2 3.99Å; H28-H68 AromaticContact ND1-CG 3.77Å
29T90.8Very high90.3Very high4 Ų453.9 Ų53.93%0.02531%0.311CS..  trans-56.6129.6179.6-70.90000111.2P26 Q27 E33 L34 L67P26-T29 WeakPolarHBondContact CD-OG1 3.4Å; P26-T29 VanDerWaalsContact O-CB 3.23Å; P26-T29 WeakPolarHBondContact O-CB 3.47Å; P26-T29 PolarHBondContact O-N 2.93Å; P26-T29 PolarHBondContact O-OG1 3.31Å; Q27-T29 PolarHBondContact O-N 3.36Å; T29-E33 WeakPolarHBondContact CA-OE2 3.37Å; T29-E33 HydrophobicContact CG2-CB 3.71Å; T29-E33 WeakPolarHBondContact CG2-OE2 3.49Å; T29-L34 HydrophobicContact CG2-CD2 3.74Å; T29-L34 HydrophobicContact CG2-CG 3.86Å; T29-L67 PolarHBondContact O-N 3.08Å
30T92.4Very high90.5Very high48 Ų4854.6 Ų54.629%0.29431%0.313SS..  trans-87163.9-17866.40000111.2H28 E32 E33 L34 T66H28-T30 PolarHBondContact O-N 3.34Å; T30-E32 PolarHBondContact O-N 3.38Å; T30-E33 PolarHBondContact N-OE2 2.83Å; T30-E33 VanDerWaalsContact N-OE2 3.14Å; T30-E33 PolarHBondContact O-N 3.23Å; T30-E33 WeakPolarHBondContact OG1-CG 3.32Å; T30-E33 PolarHBondContact OG1-N 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.33Å; T30-L34 PolarHBondContact O-N 2.98Å; T30-T66 HydrophobicContact CG2-CG2 4.32Å
31I91.5Very high90.7Very high48 Ų4852.2 Ų52.225%0.24629%0.294CS..Hα-helixtrans-58.6-37.2173.8-67.6164.8000111.5E33 L34 N35 F56 L63 T64 S65I31-E33 VanDerWaalsContact C-N 3.33Å; I31-E33 PolarHBondContact O-N 3.23Å; I31-L34 PolarHBondContact O-N 2.96Å; I31-N35 VanDerWaalsContact O-CB 3.32Å; I31-N35 WeakPolarHBondContact O-CB 3.5Å; I31-N35 PolarHBondContact O-N 2.99Å; I31-F56 HydrophobicContact CG2-CD2 3.96Å; I31-F56 HydrophobicContact CG2-CE2 4.12Å; I31-L63 VanDerWaalsContact CD1-O 3.24Å; I31-L63 WeakPolarHBondContact CD1-O 3.31Å; I31-T64 VanDerWaalsContact CD1-C 3.42Å; I31-S65 WeakPolarHBondContact CG1-O 3.44Å
32E91.7Very high90.6Very high149 Ų14950 Ų5070%0.69627%0.274SS*.Hα-helixtrans-63.9-40.6178.3-64.1-177.3179.600111.4T30 N35 N36T30-E32 PolarHBondContact O-N 3.38Å; E32-N35 WeakPolarHBondContact O-CB 3.4Å; E32-N35 PolarHBondContact O-N 3.46Å; E32-N36 VanDerWaalsContact O-CG 3.29Å; E32-N36 PolarHBondContact O-N 2.88Å; E32-N36 PolarHBondContact O-ND2 2.96Å
33E93.3Very high90.2Very high93 Ų9349.8 Ų49.844%0.43527%0.269SS..Hα-helixtrans-67.8-42.7175.7-71.3168.5-177.100112.1T29 T30 I31 N35 N36 L37T29-E33 WeakPolarHBondContact CA-OE2 3.37Å; T29-E33 HydrophobicContact CG2-CB 3.71Å; T29-E33 WeakPolarHBondContact CG2-OE2 3.49Å; T30-E33 PolarHBondContact N-OE2 2.83Å; T30-E33 VanDerWaalsContact N-OE2 3.14Å; T30-E33 PolarHBondContact O-N 3.23Å; T30-E33 WeakPolarHBondContact OG1-CG 3.32Å; T30-E33 PolarHBondContact OG1-N 3.3Å; I31-E33 VanDerWaalsContact C-N 3.33Å; I31-E33 PolarHBondContact O-N 3.23Å; E33-N35 VanDerWaalsContact C-N 3.25Å; E33-N35 PolarHBondContact O-N 3.42Å; E33-N36 PolarHBondContact O-N 2.68Å; E33-L37 WeakPolarHBondContact O-CG 3.35Å; E33-L37 PolarHBondContact O-N 3.39Å
34L93.2Very high89.2Confident2 Ų254.2 Ų54.21%0.0129%0.288CS..Hα-helixtrans-58.9-39.8172.8-66.7176.4000111.5I7 F9 T29 T30 I31 L37 V38 F56 L63 L67 I83I7-L34 HydrophobicContact CD1-CD2 3.74Å; F9-L34 HydrophobicContact CE1-CD2 4.33Å; F9-L34 HydrophobicContact CZ-CD2 3.89Å; T29-L34 HydrophobicContact CG2-CD2 3.74Å; T29-L34 HydrophobicContact CG2-CG 3.86Å; T30-L34 WeakPolarHBondContact O-CG 3.33Å; T30-L34 PolarHBondContact O-N 2.98Å; I31-L34 PolarHBondContact O-N 2.96Å; L34-L37 HydrophobicContact CD2-CD1 4.48Å; L34-L37 PolarHBondContact O-N 3.26Å; L34-V38 WeakPolarHBondContact O-CG2 3.01Å; L34-V38 PolarHBondContact O-N 3.33Å; L34-F56 VanDerWaalsContact C-CZ 3.44Å; L34-F56 HydrophobicContact CB-CD1 4.24Å; L34-F56 HydrophobicContact CB-CD2 4.15Å; L34-F56 HydrophobicContact CB-CE1 3.83Å; L34-F56 HydrophobicContact CB-CE2 3.74Å; L34-F56 HydrophobicContact CB-CG 4.38Å; L34-F56 HydrophobicContact CB-CZ 3.58Å; L34-F56 HydrophobicContact CD1-CD1 4.38Å; L34-F56 HydrophobicContact CD1-CD2 4.34Å; L34-F56 HydrophobicContact CD1-CG 4.15Å; L34-L63 HydrophobicContact CD1-CD1 4.15Å; L34-L67 HydrophobicContact CD1-CD1 4.44Å; L34-L67 HydrophobicContact CD1-CG 4.36Å; L34-L67 HydrophobicContact CD2-CD1 4.16Å; L34-I83 HydrophobicContact CD1-CD1 4.43Å; L34-I83 HydrophobicContact CD2-CD1 4.35Å
35N92.8Very high87.7Confident2 Ų254.9 Ų54.91%0.01129%0.289CS..Hα-helixtrans-63.9-44.1177.3-157.9-56.4000111.8I31 E32 E33 V38 K39 E53 F54 F56I31-N35 VanDerWaalsContact O-CB 3.32Å; I31-N35 WeakPolarHBondContact O-CB 3.5Å; I31-N35 PolarHBondContact O-N 2.99Å; E32-N35 WeakPolarHBondContact O-CB 3.4Å; E32-N35 PolarHBondContact O-N 3.46Å; E33-N35 VanDerWaalsContact C-N 3.25Å; E33-N35 PolarHBondContact O-N 3.42Å; N35-V38 PolarHBondContact O-N 3.3Å; N35-K39 WeakPolarHBondContact O-CB 3.5Å; N35-K39 WeakPolarHBondContact O-CG 3.36Å; N35-K39 PolarHBondContact O-N 3.45Å; N35-K39 WeakPolarHBondContact OD1-CE 3.44Å; N35-K39 PolarHBondContact OD1-NZ 3.01Å; N35-E53 VanDerWaalsContact CG-OE2 3.25Å; N35-E53 PolarHBondContact ND2-OE2 2.9Å; N35-F54 PolarHBondContact ND2-N 2.96Å; N35-F56 HydrophobicContact CB-CE2 4.14Å; N35-F56 HydrophobicContact CB-CZ 4.25Å
36N91.6Very high85.9Confident93 Ų9365.9 Ų65.950%0.49733%0.33SS..Hα-helixtrans-63.4-40.7174.1-68.8-29.8000111.9E32 E33 K39 V40E32-N36 VanDerWaalsContact O-CG 3.29Å; E32-N36 PolarHBondContact O-N 2.88Å; E32-N36 PolarHBondContact O-ND2 2.96Å; E33-N36 PolarHBondContact O-N 2.68Å; N36-K39 PolarHBondContact O-N 2.72Å; N36-V40 WeakPolarHBondContact O-CG2 3.38Å; N36-V40 PolarHBondContact O-N 3.27Å
37L91.7Very high84.4Confident58 Ų5868 Ų6830%0.30434%0.335SS..Hα-helixtrans-61-47.2175.8-73.6171.6000111.9F9 V25 E33 L34 K39 V40 L41F9-L37 HydrophobicContact CE2-CB 4.36Å; V25-L37 HydrophobicContact CG1-CD1 3.66Å; E33-L37 WeakPolarHBondContact O-CG 3.35Å; E33-L37 PolarHBondContact O-N 3.39Å; L34-L37 HydrophobicContact CD2-CD1 4.48Å; L34-L37 PolarHBondContact O-N 3.26Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 2.92Å; L37-V40 PolarHBondContact O-N 2.97Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 3.29Å
38V91Very high83.1Confident0 Ų072.7 Ų72.70%037%0.371CS..Hα-helixtrans-61.6-42.7176.5169.50000111.4F9 L34 N35 V40 L41 L42 F54 F56 F85F9-V38 HydrophobicContact CD1-CG2 3.92Å; F9-V38 HydrophobicContact CD2-CG2 4.22Å; F9-V38 HydrophobicContact CE1-CG2 3.82Å; F9-V38 HydrophobicContact CE2-CG2 4.12Å; F9-V38 HydrophobicContact CG-CG2 4.11Å; F9-V38 HydrophobicContact CZ-CG2 3.9Å; L34-V38 WeakPolarHBondContact O-CG2 3.01Å; L34-V38 PolarHBondContact O-N 3.33Å; N35-V38 PolarHBondContact O-N 3.3Å; V38-V40 VanDerWaalsContact C-N 3.34Å; V38-V40 PolarHBondContact O-N 3.14Å; V38-L41 PolarHBondContact O-N 2.74Å; V38-L42 HydrophobicContact CG1-CD1 3.82Å; V38-L42 HydrophobicContact CG1-CG 4.33Å; V38-L42 VanDerWaalsContact O-CG 3.28Å; V38-L42 WeakPolarHBondContact O-CG 3.27Å; V38-L42 PolarHBondContact O-N 3.27Å; V38-F54 HydrophobicContact CG1-CD2 3.97Å; V38-F54 HydrophobicContact CG1-CE2 3.89Å; V38-F54 HydrophobicContact CG1-CZ 4.41Å; V38-F56 HydrophobicContact CG2-CE1 3.74Å; V38-F56 HydrophobicContact CG2-CZ 4.15Å; V38-F85 HydrophobicContact CG1-CD2 3.83Å; V38-F85 HydrophobicContact CG1-CE2 3.52Å; V38-F85 HydrophobicContact CG1-CZ 3.99Å; V38-F85 HydrophobicContact CG2-CD1 4.42Å; V38-F85 HydrophobicContact CG2-CD2 4.43Å; V38-F85 HydrophobicContact CG2-CG 4.32Å
39K89.3Confident82.2Confident40 Ų4075.1 Ų75.117%0.17438%0.376CS..Hα-helixtrans-59.8-43.3176.5-75.7167.5174.1155.60111.8N35 N36 L37 L42 D43 Y51 E53N35-K39 WeakPolarHBondContact O-CB 3.5Å; N35-K39 WeakPolarHBondContact O-CG 3.36Å; N35-K39 PolarHBondContact O-N 3.45Å; N35-K39 WeakPolarHBondContact OD1-CE 3.44Å; N35-K39 PolarHBondContact OD1-NZ 3.01Å; N36-K39 PolarHBondContact O-N 2.72Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 2.92Å; K39-L42 PolarHBondContact O-N 3.25Å; K39-D43 PolarHBondContact O-N 3.12Å; K39-Y51 HydrophobicContact CG-CD2 4.36Å; K39-E53 IonicContact NZ-OE1 2.71Å; K39-E53 PolarHBondContact NZ-OE1 3.33Å; K39-E53 IonicContact NZ-OE2 3.6Å
40V88.6Confident81.6Confident90 Ų9082 Ų8255%0.54542%0.418SS..Hα-helixtrans-62.3-44.3176170.90000111.7N36 L37 V38 L42 D43 E44N36-V40 WeakPolarHBondContact O-CG2 3.38Å; N36-V40 PolarHBondContact O-N 3.27Å; L37-V40 PolarHBondContact O-N 2.97Å; V38-V40 VanDerWaalsContact C-N 3.34Å; V38-V40 PolarHBondContact O-N 3.14Å; V40-L42 VanDerWaalsContact C-N 3.27Å; V40-L42 PolarHBondContact O-N 3.28Å; V40-D43 PolarHBondContact O-N 3.32Å; V40-E44 PolarHBondContact O-N 2.84Å
41L87.9Confident81.2Confident32 Ų3281.5 Ų81.517%0.16841%0.411CS..Hα-helixtrans-64.1-32.5177-68.4170.7000112.6F9 V18 I23 L37 V38F9-L41 HydrophobicContact CD2-CD1 3.77Å; F9-L41 HydrophobicContact CE2-CD1 4.19Å; V18-L41 HydrophobicContact CB-CB 4.23Å; V18-L41 HydrophobicContact CG1-CB 3.89Å; I23-L41 HydrophobicContact CD1-CD1 3.66Å; I23-L41 HydrophobicContact CD1-CD2 4.07Å; I23-L41 HydrophobicContact CD1-CG 4.37Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 3.29Å; V38-L41 PolarHBondContact O-N 2.74Å
42L86.5Confident80.9Confident11 Ų1181.3 Ų81.36%0.05841%0.413CS..Hα-helixtrans-73.6-39175-70.4168.9000111.6Y16 V18 V38 K39 V40 E44 S45 Y51 F54Y16-L42 HydrophobicContact CD1-CD1 4.41Å; V18-L42 HydrophobicContact CG1-CD2 3.59Å; V18-L42 HydrophobicContact CG1-CG 3.78Å; V38-L42 HydrophobicContact CG1-CD1 3.82Å; V38-L42 HydrophobicContact CG1-CG 4.33Å; V38-L42 VanDerWaalsContact O-CG 3.28Å; V38-L42 WeakPolarHBondContact O-CG 3.27Å; V38-L42 PolarHBondContact O-N 3.27Å; K39-L42 PolarHBondContact O-N 3.25Å; V40-L42 VanDerWaalsContact C-N 3.27Å; V40-L42 PolarHBondContact O-N 3.28Å; L42-E44 VanDerWaalsContact C-N 3.26Å; L42-E44 PolarHBondContact O-N 3.39Å; L42-S45 VanDerWaalsContact O-CB 3.31Å; L42-S45 WeakPolarHBondContact O-CB 3.33Å; L42-S45 PolarHBondContact O-N 3.2Å; L42-S45 VanDerWaalsContact O-N 3.14Å; L42-S45 PolarHBondContact O-OG 3.26Å; L42-Y51 HydrophobicContact CB-CE1 3.94Å; L42-Y51 HydrophobicContact CB-CE2 3.93Å; L42-Y51 HydrophobicContact CD1-CD1 3.79Å; L42-Y51 HydrophobicContact CD1-CE1 3.86Å; L42-Y51 HydrophobicContact CD1-CG 4.16Å; L42-Y51 HydrophobicContact CG-CE1 4.37Å; L42-F54 HydrophobicContact CD1-CE2 4.07Å; L42-F54 HydrophobicContact CD1-CZ 3.88Å
43D82.4Confident80.9Confident77 Ų7778.9 Ų78.941%0.41240%0.402SS..Hα-helixtrans-67.5-19.9-179.8-85.3-23.9000113.9K39 V40 S45 R46 Y51K39-D43 PolarHBondContact O-N 3.12Å; V40-D43 PolarHBondContact O-N 3.32Å; D43-S45 PolarHBondContact O-N 3.44Å; D43-R46 PolarHBondContact O-N 3.34Å; D43-Y51 WeakPolarHBondContact OD1-CE2 3.49Å
44E69.3Low80.8Confident139 Ų13974.6 Ų74.665%0.6538%0.382SS*.THydrogen-bonded Turntrans-54.7-20.6170.1-69-164.7155.100112.2V40 L42 R46V40-E44 PolarHBondContact O-N 2.84Å; L42-E44 VanDerWaalsContact C-N 3.26Å; L42-E44 PolarHBondContact O-N 3.39Å; E44-R46 PolarHBondContact O-N 2.8Å
45S62Low80.7Confident80 Ų8075.7 Ų75.756%0.55939%0.387SS*.THydrogen-bonded Turntrans-72.60.9171.771.30000115.8L42 D43 E47L42-S45 VanDerWaalsContact O-CB 3.31Å; L42-S45 WeakPolarHBondContact O-CB 3.33Å; L42-S45 PolarHBondContact O-N 3.2Å; L42-S45 VanDerWaalsContact O-N 3.14Å; L42-S45 PolarHBondContact O-OG 3.26Å; D43-S45 PolarHBondContact O-N 3.44Å; S45-E47 VanDerWaalsContact C-N 3.31Å; S45-E47 PolarHBondContact O-N 3.48Å
46R52.8Low80.8Confident237 Ų23775.7 Ų75.789%0.89439%0.387SS*.SBendtrans60.219.8172.4-66.6-170178.7-170.30.2117.4D43 E44D43-R46 PolarHBondContact O-N 3.34Å; E44-R46 PolarHBondContact O-N 2.8Å
47E58.5Low80.8Confident104 Ų10471.3 Ų71.349%0.48636%0.363SS..  trans-112.3117.8165.7-70.9-174.7-174.500109.6S45 R49S45-E47 VanDerWaalsContact C-N 3.31Å; S45-E47 PolarHBondContact O-N 3.48Å; E47-R49 HydrophobicContact CB-CG 4.07Å; E47-R49 PolarHBondContact O-N 3.31Å; E47-R49 IonicContact OE2-CZ 3.91Å; E47-R49 IonicContact OE2-NE 3.44Å; E47-R49 PolarHBondContact OE2-NE 3.31Å; E47-R49 IonicContact OE2-NH2 2.72Å; E47-R49 PolarHBondContact OE2-NH2 3.49Å
48S58.7Low80.7Confident128 Ų12868.7 Ų68.790%0.89535%0.35SS*.  trans-64.380.7172.9170.90000109.9
49R70.5Confident80.5Confident143 Ų14374 Ų7454%0.5438%0.379SS..  trans-96140.7176.6-68.3-179.5-179.9-173.51.3109.1E47 Y51E47-R49 HydrophobicContact CB-CG 4.07Å; E47-R49 PolarHBondContact O-N 3.31Å; E47-R49 IonicContact OE2-CZ 3.91Å; E47-R49 IonicContact OE2-NE 3.44Å; E47-R49 PolarHBondContact OE2-NE 3.31Å; E47-R49 IonicContact OE2-NH2 2.72Å; E47-R49 PolarHBondContact OE2-NH2 3.49Å; R49-Y51 HydrophobicContact CB-CE1 4.03Å; R49-Y51 HydrophobicContact CB-CE2 4.22Å; R49-Y51 WeakPolarHBondContact O-CD2 3.39Å; R49-Y51 WeakPolarHBondContact O-CE2 3.23Å; R49-Y51 PolarHBondContact O-N 2.85Å
50T77.6Confident80.4Confident148 Ų14876.1 Ų76.191%0.90839%0.391SS*.  trans-75.7110.7166.941.50000108.6
51Y83.9Confident80.4Confident37 Ų3773.3 Ų73.315%0.14537%0.374CS..PPolyproline II helixtrans-88.8145176.8-61.3-71.5000111.1Y16 K39 L42 D43 R49Y16-Y51 HydrophobicContact CD1-CD1 4.28Å; Y16-Y51 HydrophobicContact CE1-CD1 4.16Å; K39-Y51 HydrophobicContact CG-CD2 4.36Å; L42-Y51 HydrophobicContact CB-CE1 3.94Å; L42-Y51 HydrophobicContact CB-CE2 3.93Å; L42-Y51 HydrophobicContact CD1-CD1 3.79Å; L42-Y51 HydrophobicContact CD1-CE1 3.86Å; L42-Y51 HydrophobicContact CD1-CG 4.16Å; L42-Y51 HydrophobicContact CG-CE1 4.37Å; D43-Y51 WeakPolarHBondContact OD1-CE2 3.49Å; R49-Y51 HydrophobicContact CB-CE1 4.03Å; R49-Y51 HydrophobicContact CB-CE2 4.22Å; R49-Y51 WeakPolarHBondContact O-CD2 3.39Å; R49-Y51 WeakPolarHBondContact O-CE2 3.23Å; R49-Y51 PolarHBondContact O-N 2.85Å
52P86Confident80.5Confident44 Ų4472.3 Ų72.329%0.28637%0.369SS..PPolyproline II helixtrans-66.5166.4169.732-35.5000110.5Y16 F54 P87Y16-P52 HydrophobicContact CE1-CG 4.41Å; P52-F54 HydrophobicContact CG-CE1 4.18Å; P52-F54 HydrophobicContact CG-CZ 4.19Å; P52-F54 WeakPolarHBondContact O-CD2 3.24Å; P52-F54 WeakPolarHBondContact O-CE2 3.46Å; P52-P87 HydrophobicContact CG-CB 4.14Å; P52-P87 HydrophobicContact CG-CG 4.47Å
53E90.5Very high80.6Confident98 Ų9872.3 Ų72.346%0.45837%0.369SS..PPolyproline II helixtrans-65.8146162.1-68.1-59.8127.200109.6N35 K39 K88N35-E53 VanDerWaalsContact CG-OE2 3.25Å; N35-E53 PolarHBondContact ND2-OE2 2.9Å; K39-E53 IonicContact NZ-OE1 2.71Å; K39-E53 PolarHBondContact NZ-OE1 3.33Å; K39-E53 IonicContact NZ-OE2 3.6Å; E53-K88 HydrophobicContact CB-CB 4.07Å; E53-K88 HydrophobicContact CB-CD 4.24Å; E53-K88 VanDerWaalsContact O-CB 3.25Å; E53-K88 WeakPolarHBondContact O-CB 3.27Å; E53-K88 PolarHBondContact O-N 2.98Å
54F92.1Very high80.8Confident4 Ų472 Ų722%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-110.1148178.8-62-78.8000111.4Y16 N35 V38 L42 P52 F56 F85 C86 P87Y16-F54 HydrophobicContact CD1-CE1 4.12Å; Y16-F54 AromaticContact CD1-CZ 3.95Å; Y16-F54 HydrophobicContact CD1-CZ 3.95Å; Y16-F54 HydrophobicContact CD2-CE1 4.03Å; Y16-F54 HydrophobicContact CE1-CE1 4.44Å; Y16-F54 HydrophobicContact CE1-CZ 4.26Å; Y16-F54 HydrophobicContact CE2-CE1 4.36Å; Y16-F54 AromaticContact CG-CE1 3.91Å; Y16-F54 HydrophobicContact CG-CE1 3.91Å; Y16-F54 HydrophobicContact CG-CZ 4.17Å; N35-F54 PolarHBondContact ND2-N 2.96Å; V38-F54 HydrophobicContact CG1-CD2 3.97Å; V38-F54 HydrophobicContact CG1-CE2 3.89Å; V38-F54 HydrophobicContact CG1-CZ 4.41Å; L42-F54 HydrophobicContact CD1-CE2 4.07Å; L42-F54 HydrophobicContact CD1-CZ 3.88Å; P52-F54 HydrophobicContact CG-CE1 4.18Å; P52-F54 HydrophobicContact CG-CZ 4.19Å; P52-F54 WeakPolarHBondContact O-CD2 3.24Å; P52-F54 WeakPolarHBondContact O-CE2 3.46Å; F54-F56 HydrophobicContact CB-CE2 4.27Å; F54-F56 HydrophobicContact CB-CZ 4.07Å; F54-F85 HydrophobicContact CB-CD2 4.5Å; F54-F85 AromaticContact CD1-CD2 3.74Å; F54-F85 HydrophobicContact CD1-CD2 3.74Å; F54-F85 HydrophobicContact CD1-CE2 4.32Å; F54-F85 HydrophobicContact CE1-CD2 4.11Å; F54-F85 HydrophobicContact CE1-CE2 4.23Å; F54-F85 HydrophobicContact CG-CD2 4.09Å; F54-C86 CarbonylContact C-O 3.57Å; F54-C86 VanDerWaalsContact CA-O 3.28Å; F54-C86 WeakPolarHBondContact CA-O 3.44Å; F54-P87 HydrophobicContact CE1-CG 4.42Å
55M91.6Very high81.6Confident25 Ų2567.3 Ų67.312%0.12335%0.353CS..EExtended strand (participates in β ladder)trans-98146.4163.6-70.5173.469.100108.8I62 F85 C86 K88 L399M55-I62 HydrophobicContact CE-CD1 3.58Å; M55-I62 HydrophobicContact CE-CG1 4.03Å; M55-I62 HydrophobicContact CE-CG2 3.8Å; M55-F85 VanDerWaalsContact O-CA 3.23Å; M55-F85 WeakPolarHBondContact O-CA 3.41Å; M55-C86 PolarHBondContact N-O 3.47Å; M55-C86 PolarHBondContact O-N 3.29Å; M55-K88 HydrophobicContact CG-CB 3.85Å; M55-K88 HydrophobicContact CG-CG 3.82Å; M55-K88 HydrophobicContact SD-CB 4.39Å; M55-K88 HydrophobicContact SD-CG 4.06Å; M55-L399 HydrophobicContact CE-CD2 4.29Å
56F93.8Very high82.8Confident1 Ų164.7 Ų64.70%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-118139.7-178-61.6-84.4000109.7F9 I31 L34 N35 V38 F54 I62 L63 I83 E84 F85F9-F56 HydrophobicContact CD1-CE1 4.38Å; F9-F56 HydrophobicContact CE1-CD1 4.01Å; F9-F56 AromaticContact CE1-CE1 3.75Å; F9-F56 HydrophobicContact CE1-CE1 3.75Å; I31-F56 HydrophobicContact CG2-CD2 3.96Å; I31-F56 HydrophobicContact CG2-CE2 4.12Å; L34-F56 VanDerWaalsContact C-CZ 3.44Å; L34-F56 HydrophobicContact CB-CD1 4.24Å; L34-F56 HydrophobicContact CB-CD2 4.15Å; L34-F56 HydrophobicContact CB-CE1 3.83Å; L34-F56 HydrophobicContact CB-CE2 3.74Å; L34-F56 HydrophobicContact CB-CG 4.38Å; L34-F56 HydrophobicContact CB-CZ 3.58Å; L34-F56 HydrophobicContact CD1-CD1 4.38Å; L34-F56 HydrophobicContact CD1-CD2 4.34Å; L34-F56 HydrophobicContact CD1-CG 4.15Å; N35-F56 HydrophobicContact CB-CE2 4.14Å; N35-F56 HydrophobicContact CB-CZ 4.25Å; V38-F56 HydrophobicContact CG2-CE1 3.74Å; V38-F56 HydrophobicContact CG2-CZ 4.15Å; F54-F56 HydrophobicContact CB-CE2 4.27Å; F54-F56 HydrophobicContact CB-CZ 4.07Å; F56-I62 WeakPolarHBondContact O-CA 3.35Å; F56-L63 HydrophobicContact CB-CB 4.32Å; F56-L63 HydrophobicContact CB-CD1 3.92Å; F56-L63 HydrophobicContact CB-CG 4.41Å; F56-L63 PolarHBondContact O-N 3.5Å; F56-I83 HydrophobicContact CB-CG2 3.88Å; F56-I83 HydrophobicContact CD1-CG2 3.71Å; F56-I83 HydrophobicContact CG-CG2 4.27Å; F56-E84 CarbonylContact C-O 3.52Å; F56-E84 WeakPolarHBondContact CA-O 3.31Å; F56-F85 HydrophobicContact CD1-CB 3.68Å; F56-F85 HydrophobicContact CE1-CB 3.73Å; F56-F85 HydrophobicContact CE1-CG 4.48Å
57L92Very high84.4Confident1 Ų153.5 Ų53.51%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-131138.7178.7-53.688.6000110.1V61 I62 I83 E84 R393L57-V61 CarbonylContact C-O 3.53Å; L57-V61 WeakPolarHBondContact CA-O 3.28Å; L57-I62 HydrophobicContact CD2-CG1 3.81Å; L57-I62 HydrophobicContact CG-CG1 3.91Å; L57-I83 WeakPolarHBondContact O-CA 3.25Å; L57-E84 HydrophobicContact CB-CB 4.23Å; L57-E84 PolarHBondContact N-O 3.15Å; L57-E84 PolarHBondContact O-N 3.31Å; L57-R393 HydrophobicContact CD2-CB 4.21Å; L57-R393 HydrophobicContact CD2-CG 4.39Å
58V90.4Very high85.8Confident4 Ų451.6 Ų51.62%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-123.7127.8171.1-176.90000106.7N60 V61 L63 Y70 I81 I83V58-N60 PolarHBondContact O-N 3.45Å; V58-N60 VanDerWaalsContact O-N 3.17Å; V58-V61 PolarHBondContact N-O 2.84Å; V58-V61 WeakPolarHBondContact O-CB 3.28Å; V58-V61 PolarHBondContact O-N 2.85Å; V58-L63 HydrophobicContact CG2-CD1 3.85Å; V58-L63 HydrophobicContact CG2-CD2 4.05Å; V58-L63 HydrophobicContact CG2-CG 4.04Å; V58-Y70 HydrophobicContact CB-CD1 4.36Å; V58-Y70 HydrophobicContact CB-CE1 3.69Å; V58-Y70 HydrophobicContact CB-CE2 4.31Å; V58-Y70 HydrophobicContact CG1-CD1 4.3Å; V58-Y70 HydrophobicContact CG1-CE1 3.39Å; V58-Y70 HydrophobicContact CG2-CE1 4.45Å; V58-Y70 PolarHBondContact O-OH 3.45Å; V58-I81 HydrophobicContact CB-CG2 4.39Å; V58-I81 HydrophobicContact CG1-CG2 3.5Å; V58-I81 HydrophobicContact CG2-CG2 3.9Å; V58-I83 HydrophobicContact CG2-CG1 4.03Å; V58-I83 HydrophobicContact CG2-CG2 4.49Å
59D86.3Confident87.1Confident112 Ų11250.3 Ų50.360%0.59926%0.262SS*.THydrogen-bonded Turntrans50.839.8-176.3-56.2-45.2000114.2V61 Y70D59-V61 PolarHBondContact O-N 3.41Å; D59-Y70 PolarHBondContact OD2-OH 3.11Å
60N86.1Confident87.8Confident83 Ų8344.1 Ų44.144%0.44424%0.239SC..THydrogen-bonded Turntrans61.818.6-173.1-61.3-64.5000115.5V58 R393V58-N60 PolarHBondContact O-N 3.45Å; V58-N60 VanDerWaalsContact O-N 3.17Å; N60-R393 WeakPolarHBondContact O-CB 3.25Å; N60-R393 VanDerWaalsContact O-CG 3.22Å; N60-R393 WeakPolarHBondContact O-CG 3.47Å
61V88.8Confident88.1Confident31 Ų3138 Ų3819%0.18820%0.2CC..EExtended strand (participates in β ladder)trans-107.8129.3172.1-178.70000109.3L57 V58 D59 L63 Y70 R393L57-V61 CarbonylContact C-O 3.53Å; L57-V61 WeakPolarHBondContact CA-O 3.28Å; V58-V61 PolarHBondContact N-O 2.84Å; V58-V61 WeakPolarHBondContact O-CB 3.28Å; V58-V61 PolarHBondContact O-N 2.85Å; D59-V61 PolarHBondContact O-N 3.41Å; V61-L63 PolarHBondContact O-N 3.14Å; V61-Y70 HydrophobicContact CB-CE2 4.12Å; V61-Y70 HydrophobicContact CG1-CE2 4.23Å; V61-R393 CarbonylContact C-O 3.6Å; V61-R393 WeakPolarHBondContact CA-O 3.29Å
62I90.2Very high88.2Confident12 Ų1239.8 Ų39.86%0.06222%0.218CC..EExtended strand (participates in β ladder)trans-69.3126.7178.1-67.2161.4000109.3M55 F56 L57 T64 D391 R393 N394M55-I62 HydrophobicContact CE-CD1 3.58Å; M55-I62 HydrophobicContact CE-CG1 4.03Å; M55-I62 HydrophobicContact CE-CG2 3.8Å; F56-I62 WeakPolarHBondContact O-CA 3.35Å; L57-I62 HydrophobicContact CD2-CG1 3.81Å; L57-I62 HydrophobicContact CG-CG1 3.91Å; I62-T64 HydrophobicContact CG2-CG2 4.45Å; I62-T64 PolarHBondContact O-N 2.94Å; I62-D391 HydrophobicContact CD1-CB 4.02Å; I62-R393 HydrophobicContact CD1-CB 3.82Å; I62-R393 HydrophobicContact CG1-CB 3.84Å; I62-R393 PolarHBondContact N-O 2.86Å; I62-N394 HydrophobicContact CB-CB 4.21Å; I62-N394 HydrophobicContact CD1-CB 3.98Å
63L89.2Confident88Confident10 Ų1042.4 Ų42.45%0.05223%0.227CC..  trans-70.6122.3169.9-65.4179.2000109.3I31 L34 F56 V58 V61 L67 Y70I31-L63 VanDerWaalsContact CD1-O 3.24Å; I31-L63 WeakPolarHBondContact CD1-O 3.31Å; L34-L63 HydrophobicContact CD1-CD1 4.15Å; F56-L63 HydrophobicContact CB-CB 4.32Å; F56-L63 HydrophobicContact CB-CD1 3.92Å; F56-L63 HydrophobicContact CB-CG 4.41Å; F56-L63 PolarHBondContact O-N 3.5Å; V58-L63 HydrophobicContact CG2-CD1 3.85Å; V58-L63 HydrophobicContact CG2-CD2 4.05Å; V58-L63 HydrophobicContact CG2-CG 4.04Å; V61-L63 PolarHBondContact O-N 3.14Å; L63-L67 HydrophobicContact CD1-CD2 3.69Å; L63-Y70 HydrophobicContact CD2-CD1 4.21Å; L63-Y70 HydrophobicContact CD2-CD2 3.62Å; L63-Y70 HydrophobicContact CD2-CE2 4.36Å; L63-Y70 HydrophobicContact CD2-CG 3.53Å
64T86Confident87.5Confident71 Ų7142.9 Ų42.944%0.43623%0.227SC..  trans-109.1-15.917949.10000113.1I31 I62I31-T64 VanDerWaalsContact CD1-C 3.42Å; I62-T64 HydrophobicContact CG2-CG2 4.45Å; I62-T64 PolarHBondContact O-N 2.94Å
65S86.3Confident86.8Confident40 Ų4050.7 Ų50.728%0.2826%0.264SS..SBendtrans-138.9-139.3-178.863.90000111.2I31 E69I31-S65 WeakPolarHBondContact CG1-O 3.44Å; S65-E69 WeakPolarHBondContact CB-OE2 3.17Å; S65-E69 PolarHBondContact OG-OE2 2.78Å
66T88.5Confident85.8Confident25 Ų2552 Ų5215%0.15327%0.273CS..  trans-83.7157.2-178.964.20000112.1T30 H68 E69 Y70T30-T66 HydrophobicContact CG2-CG2 4.32Å; T66-H68 PolarHBondContact O-N 2.65Å; T66-E69 PolarHBondContact O-N 2.6Å; T66-E69 WeakPolarHBondContact OG1-CG 3.45Å; T66-E69 PolarHBondContact OG1-N 2.67Å; T66-Y70 PolarHBondContact O-N 2.58Å
67L85.8Confident84.7Confident2 Ų260.2 Ų60.21%0.0132%0.315CS..Hα-helixtrans-58.9-37.4172.8-78.1171.8000111.9I7 V25 Q27 T29 L34 L63 E69 Y70 L71 I83I7-L67 HydrophobicContact CG2-CD1 4.26Å; V25-L67 HydrophobicContact CG2-CD1 4.03Å; Q27-L67 CarbonylContact O-C 3.56Å; Q27-L67 WeakPolarHBondContact O-CB 3.23Å; T29-L67 PolarHBondContact O-N 3.08Å; L34-L67 HydrophobicContact CD1-CD1 4.44Å; L34-L67 HydrophobicContact CD1-CG 4.36Å; L34-L67 HydrophobicContact CD2-CD1 4.16Å; L63-L67 HydrophobicContact CD1-CD2 3.69Å; L67-E69 PolarHBondContact O-N 2.82Å; L67-Y70 PolarHBondContact O-N 3.06Å; L67-L71 WeakPolarHBondContact O-CB 3.48Å; L67-L71 WeakPolarHBondContact O-CG 3.41Å; L67-L71 PolarHBondContact O-N 3.16Å; L67-I83 HydrophobicContact CD1-CD1 4.43Å; L67-I83 HydrophobicContact CD2-CD1 3.98Å
68H86.7Confident83.6Confident65 Ų6563 Ų6330%0.30134%0.335SS..Hα-helixtrans-59-47.2177.9-178.275.8000112.1Q27 H28 T66 Y70 L71 S72Q27-H68 HydrophobicContact CB-CB 4.15Å; Q27-H68 WeakPolarHBondContact O-CA 3.33Å; Q27-H68 VanDerWaalsContact O-CB 3.32Å; Q27-H68 WeakPolarHBondContact O-CB 3.31Å; Q27-H68 PolarHBondContact O-N 3.13Å; Q27-H68 PolarHBondContact OE1-ND1 2.95Å; H28-H68 AromaticContact CE1-CD2 3.58Å; H28-H68 AromaticContact CE1-CG 3.5Å; H28-H68 VanDerWaalsContact CE1-CG 3.5Å; H28-H68 AromaticContact CE1-ND1 3.89Å; H28-H68 AromaticContact CE1-NE2 3.99Å; H28-H68 AromaticContact ND1-CG 3.77Å; T66-H68 PolarHBondContact O-N 2.65Å; H68-Y70 VanDerWaalsContact C-N 3.35Å; H68-Y70 PolarHBondContact O-N 2.78Å; H68-L71 PolarHBondContact O-N 3.41Å; H68-S72 VanDerWaalsContact O-CB 3.27Å; H68-S72 WeakPolarHBondContact O-CB 3.43Å; H68-S72 PolarHBondContact O-N 2.66Å; H68-S72 PolarHBondContact O-OG 3.45Å
69E85.9Confident82.9Confident100 Ų10071.2 Ų71.247%0.46737%0.373SS..Hα-helixtrans-60.6-45.9178.1-77173.4-146.500111S65 T66 L67 L71 S72 E73S65-E69 WeakPolarHBondContact CB-OE2 3.17Å; S65-E69 PolarHBondContact OG-OE2 2.78Å; T66-E69 PolarHBondContact O-N 2.6Å; T66-E69 WeakPolarHBondContact OG1-CG 3.45Å; T66-E69 PolarHBondContact OG1-N 2.67Å; L67-E69 PolarHBondContact O-N 2.82Å; E69-L71 PolarHBondContact O-N 3.21Å; E69-S72 PolarHBondContact O-N 2.66Å; E69-S72 PolarHBondContact O-OG 2.95Å; E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 PolarHBondContact O-N 3.31Å; E69-E73 VanDerWaalsContact O-N 3.12Å
70Y85.4Confident82.8Confident14 Ų1468 Ų686%0.05536%0.357CS..Hα-helixtrans-58.4-49175.8177.9-92.9000112.4V58 D59 V61 L63 T66 L67 H68 E73 K74V58-Y70 HydrophobicContact CB-CD1 4.36Å; V58-Y70 HydrophobicContact CB-CE1 3.69Å; V58-Y70 HydrophobicContact CB-CE2 4.31Å; V58-Y70 HydrophobicContact CG1-CD1 4.3Å; V58-Y70 HydrophobicContact CG1-CE1 3.39Å; V58-Y70 HydrophobicContact CG2-CE1 4.45Å; V58-Y70 PolarHBondContact O-OH 3.45Å; D59-Y70 PolarHBondContact OD2-OH 3.11Å; V61-Y70 HydrophobicContact CB-CE2 4.12Å; V61-Y70 HydrophobicContact CG1-CE2 4.23Å; L63-Y70 HydrophobicContact CD2-CD1 4.21Å; L63-Y70 HydrophobicContact CD2-CD2 3.62Å; L63-Y70 HydrophobicContact CD2-CE2 4.36Å; L63-Y70 HydrophobicContact CD2-CG 3.53Å; T66-Y70 PolarHBondContact O-N 2.58Å; L67-Y70 PolarHBondContact O-N 3.06Å; H68-Y70 VanDerWaalsContact C-N 3.35Å; H68-Y70 PolarHBondContact O-N 2.78Å; Y70-E73 PolarHBondContact O-N 2.92Å; Y70-K74 HydrophobicContact CD2-CG 4.47Å; Y70-K74 HydrophobicContact CE1-CG 4.37Å; Y70-K74 HydrophobicContact CE2-CG 4Å; Y70-K74 PolarHBondContact O-N 2.86Å
71L84.8Confident83Confident19 Ų1964.3 Ų64.310%0.09934%0.338CS..Hα-helixtrans-63.2-43.6-179.5-77.9174.3000112.7V5 Q27 L67 H68 E69 E73 E75 V76 I81V5-L71 HydrophobicContact CG2-CD1 4.12Å; Q27-L71 HydrophobicContact CG-CD1 4.27Å; L67-L71 WeakPolarHBondContact O-CB 3.48Å; L67-L71 WeakPolarHBondContact O-CG 3.41Å; L67-L71 PolarHBondContact O-N 3.16Å; H68-L71 PolarHBondContact O-N 3.41Å; E69-L71 PolarHBondContact O-N 3.21Å; L71-E73 VanDerWaalsContact C-N 3.25Å; L71-E73 PolarHBondContact O-N 3.47Å; L71-E75 PolarHBondContact O-N 2.83Å; L71-E75 VanDerWaalsContact O-N 3.16Å; L71-V76 HydrophobicContact CD2-CB 3.99Å; L71-V76 HydrophobicContact CD2-CG1 4.23Å; L71-V76 PolarHBondContact O-N 2.84Å; L71-I81 HydrophobicContact CD1-CD1 3.83Å; L71-I81 HydrophobicContact CD2-CD1 3.57Å; L71-I81 HydrophobicContact CD2-CG1 4.39Å; L71-I81 HydrophobicContact CG-CD1 3.93Å
72S85Confident83.1Confident74 Ų7467.2 Ų67.252%0.51735%0.352SS..Hα-helixtrans-62.8-35.5179.570.70000111.9H68 E69H68-S72 VanDerWaalsContact O-CB 3.27Å; H68-S72 WeakPolarHBondContact O-CB 3.43Å; H68-S72 PolarHBondContact O-N 2.66Å; H68-S72 PolarHBondContact O-OG 3.45Å; E69-S72 PolarHBondContact O-N 2.66Å; E69-S72 PolarHBondContact O-OG 2.95Å
73E82.2Confident83.3Confident100 Ų10066.6 Ų66.647%0.46735%0.349SS..Hα-helixtrans-82.7-38.1-175.5-171.8-179.5-165.900113E69 Y70 L71 E75 R396E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 PolarHBondContact O-N 3.31Å; E69-E73 VanDerWaalsContact O-N 3.12Å; Y70-E73 PolarHBondContact O-N 2.92Å; L71-E73 VanDerWaalsContact C-N 3.25Å; L71-E73 PolarHBondContact O-N 3.47Å; E73-E75 VanDerWaalsContact C-N 3.27Å; E73-R396 VanDerWaalsContact CD-CZ 3.46Å; E73-R396 IonicContact OE1-CZ 2.83Å; E73-R396 IonicContact OE1-NE 3.33Å; E73-R396 IonicContact OE1-NH1 3.95Å; E73-R396 IonicContact OE1-NH2 2.77Å; E73-R396 PolarHBondContact OE1-NH2 3.26Å; E73-R396 IonicContact OE2-CZ 3.58Å; E73-R396 IonicContact OE2-NH1 3.93Å; E73-R396 PolarHBondContact OE2-NH1 3.44Å; E73-R396 IonicContact OE2-NH2 2.78Å; E73-R396 PolarHBondContact OE2-NH2 3.43Å
74K80.4Confident83.5Confident107 Ų10766.5 Ų66.547%0.46535%0.348SS..Hα-helixtrans-84.2-2.9179-69-70.3-171.5175.90113.3Y70 V76Y70-K74 HydrophobicContact CD2-CG 4.47Å; Y70-K74 HydrophobicContact CE1-CG 4.37Å; Y70-K74 HydrophobicContact CE2-CG 4Å; Y70-K74 PolarHBondContact O-N 2.86Å; K74-V76 HydrophobicContact CB-CG2 3.54Å; K74-V76 PolarHBondContact O-N 2.81Å; K74-V76 VanDerWaalsContact O-N 3.11Å
75E77.5Confident83.9Confident168 Ų16863.1 Ų63.179%0.78533%0.327SS*.THydrogen-bonded Turntrans49.633.7-174.2-60.4-174.9164.100112.2L71 E73 I77L71-E75 PolarHBondContact O-N 2.83Å; L71-E75 VanDerWaalsContact O-N 3.16Å; E73-E75 VanDerWaalsContact C-N 3.27Å; E75-I77 PolarHBondContact O-N 2.94Å
76V71.1Confident84.1Confident52 Ų5261.8 Ų61.832%0.31532%0.318SS..  trans-78.3110.2-175.5173.80000108.8L71 K74 S78L71-V76 HydrophobicContact CD2-CB 3.99Å; L71-V76 HydrophobicContact CD2-CG1 4.23Å; L71-V76 PolarHBondContact O-N 2.84Å; K74-V76 HydrophobicContact CB-CG2 3.54Å; K74-V76 PolarHBondContact O-N 2.81Å; K74-V76 VanDerWaalsContact O-N 3.11Å; V76-S78 PolarHBondContact O-N 2.89Å
77I69.4Low84.2Confident174 Ų17462 Ų6289%0.89232%0.32SS*.  trans-97.269.9172.9-46.3170000107.4E75E75-I77 PolarHBondContact O-N 2.94Å
78S68.8Low84.3Confident61 Ų6167.6 Ų67.643%0.42734%0.344SS..  trans-108.2137.9172.7-165.50000110V76 T80V76-S78 PolarHBondContact O-N 2.89Å; S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 WeakPolarHBondContact CB-O 3.25Å; S78-T80 PolarHBondContact OG-N 2.61Å; S78-T80 PolarHBondContact OG-O 3Å
79E75.8Confident84.2Confident176 Ų17665.4 Ų65.482%0.82233%0.334SS*.SBendtrans-68.2-31.9171.6-66.9-174.7170.100111.2Q6Q6-E79 WeakPolarHBondContact CB-O 3.36Å; Q6-E79 PolarHBondContact N-O 3.23Å
80T85.5Confident84.3Confident43 Ų4365.5 Ų65.526%0.26433%0.334SS..EExtended strand (participates in β ladder)trans-130.7133.7-178.7-49.70000111.2Q6 T8 S78Q6-T80 HydrophobicContact CB-CG2 4.18Å; Q6-T80 CarbonylContact O-C 3.5Å; Q6-T80 VanDerWaalsContact O-CA 3.23Å; Q6-T80 WeakPolarHBondContact O-CA 3.48Å; T8-T80 HydrophobicContact CG2-CG2 3.79Å; S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 WeakPolarHBondContact CB-O 3.25Å; S78-T80 PolarHBondContact OG-N 2.61Å; S78-T80 PolarHBondContact OG-O 3Å
81I89.4Confident84.5Confident7 Ų767.7 Ų67.74%0.03635%0.35CS..EExtended strand (participates in β ladder)trans-110.8123.2177-54.7172.5000109.4V5 Q6 I7 T8 V58 L71 I83V5-I81 HydrophobicContact CG1-CD1 3.55Å; V5-I81 HydrophobicContact CG1-CG1 3.85Å; Q6-I81 PolarHBondContact O-N 3.14Å; I7-I81 CarbonylContact C-O 3.59Å; I7-I81 VanDerWaalsContact CA-O 3.25Å; I7-I81 WeakPolarHBondContact CA-O 3.38Å; I7-I81 HydrophobicContact CG2-CB 4.3Å; T8-I81 PolarHBondContact N-O 3.12Å; V58-I81 HydrophobicContact CB-CG2 4.39Å; V58-I81 HydrophobicContact CG1-CG2 3.5Å; V58-I81 HydrophobicContact CG2-CG2 3.9Å; L71-I81 HydrophobicContact CD1-CD1 3.83Å; L71-I81 HydrophobicContact CD2-CD1 3.57Å; L71-I81 HydrophobicContact CD2-CG1 4.39Å; L71-I81 HydrophobicContact CG-CD1 3.93Å; I81-I83 HydrophobicContact CG2-CG1 4.02Å
82D91.5Very high84.9Confident91 Ų9167.4 Ų67.449%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-86.3116.9172.8-63.8-23.1000109.6T8 Y10T8-D82 PolarHBondContact OG1-OD1 3.5Å; Y10-D82 HydrophobicContact CD1-CB 4.24Å; Y10-D82 HydrophobicContact CE1-CB 3.9Å
83I93.6Very high85.2Confident0 Ų069.2 Ų69.20%035%0.348CS..EExtended strand (participates in β ladder)trans-106113-178.4-52.7-174.6000109.1I7 T8 F9 Y10 L34 F56 L57 V58 L67 I81I7-I83 HydrophobicContact CB-CD1 3.95Å; I7-I83 HydrophobicContact CB-CG1 4.38Å; I7-I83 HydrophobicContact CD1-CD1 4.01Å; I7-I83 HydrophobicContact CG2-CD1 3.88Å; T8-I83 PolarHBondContact O-N 3.18Å; F9-I83 WeakPolarHBondContact CA-O 3.5Å; F9-I83 HydrophobicContact CD1-CB 3.98Å; F9-I83 HydrophobicContact CD1-CG2 4.19Å; F9-I83 HydrophobicContact CE1-CB 4.13Å; F9-I83 HydrophobicContact CE1-CD1 4.27Å; F9-I83 HydrophobicContact CE1-CG2 4.11Å; Y10-I83 PolarHBondContact N-O 3.35Å; L34-I83 HydrophobicContact CD1-CD1 4.43Å; L34-I83 HydrophobicContact CD2-CD1 4.35Å; F56-I83 HydrophobicContact CB-CG2 3.88Å; F56-I83 HydrophobicContact CD1-CG2 3.71Å; F56-I83 HydrophobicContact CG-CG2 4.27Å; L57-I83 WeakPolarHBondContact O-CA 3.25Å; V58-I83 HydrophobicContact CG2-CG1 4.03Å; V58-I83 HydrophobicContact CG2-CG2 4.49Å; L67-I83 HydrophobicContact CD1-CD1 4.43Å; L67-I83 HydrophobicContact CD2-CD1 3.98Å; I81-I83 HydrophobicContact CG2-CG1 4.02Å
84E94.5Very high85.7Confident7 Ų770 Ų703%0.03335%0.348CS..EExtended strand (participates in β ladder)trans-74.4134.4166-167.9173.815500109Y10 K12 F56 L57Y10-E84 HydrophobicContact CD2-CB 4.35Å; Y10-E84 HydrophobicContact CD2-CG 4.17Å; Y10-E84 HydrophobicContact CE1-CB 4.01Å; Y10-E84 HydrophobicContact CE2-CB 3.69Å; Y10-E84 HydrophobicContact CE2-CG 3.65Å; Y10-E84 CarbonylContact O-C 3.59Å; Y10-E84 VanDerWaalsContact O-CA 3.27Å; Y10-E84 WeakPolarHBondContact O-CA 3.34Å; Y10-E84 PolarHBondContact OH-OE2 2.9Å; K12-E84 WeakPolarHBondContact CD-OE1 3.4Å; K12-E84 WeakPolarHBondContact CE-OE1 3.48Å; K12-E84 IonicContact NZ-OE1 2.71Å; K12-E84 PolarHBondContact NZ-OE1 2.55Å; K12-E84 IonicContact NZ-OE2 3.02Å; K12-E84 PolarHBondContact NZ-OE2 3.05Å; F56-E84 CarbonylContact C-O 3.52Å; F56-E84 WeakPolarHBondContact CA-O 3.31Å; L57-E84 HydrophobicContact CB-CB 4.23Å; L57-E84 PolarHBondContact N-O 3.15Å; L57-E84 PolarHBondContact O-N 3.31Å
85F93.5Very high86.1Confident0 Ų068.2 Ų68.20%034%0.341CS..EExtended strand (participates in β ladder)trans-125.5146.2169.270.3-80.2000112.1F9 Y10 T11 Y16 V18 V38 F54 M55 F56F9-F85 HydrophobicContact CB-CD1 3.99Å; F9-F85 HydrophobicContact CB-CE1 3.8Å; F9-F85 HydrophobicContact CD1-CD1 4.07Å; F9-F85 HydrophobicContact CG-CD1 4.4Å; Y10-F85 WeakPolarHBondContact O-CD1 3.32Å; Y10-F85 PolarHBondContact O-N 3.41Å; T11-F85 WeakPolarHBondContact CB-O 3.38Å; T11-F85 HydrophobicContact CG2-CE1 4.13Å; T11-F85 HydrophobicContact CG2-CE2 4.22Å; T11-F85 HydrophobicContact CG2-CZ 3.76Å; T11-F85 PolarHBondContact OG1-O 2.98Å; Y16-F85 WeakPolarHBondContact O-CZ 3.23Å; V18-F85 HydrophobicContact CG1-CZ 4.05Å; V18-F85 HydrophobicContact CG2-CE1 3.63Å; V18-F85 HydrophobicContact CG2-CZ 3.75Å; V38-F85 HydrophobicContact CG1-CD2 3.83Å; V38-F85 HydrophobicContact CG1-CE2 3.52Å; V38-F85 HydrophobicContact CG1-CZ 3.99Å; V38-F85 HydrophobicContact CG2-CD1 4.42Å; V38-F85 HydrophobicContact CG2-CD2 4.43Å; V38-F85 HydrophobicContact CG2-CG 4.32Å; F54-F85 HydrophobicContact CB-CD2 4.5Å; F54-F85 AromaticContact CD1-CD2 3.74Å; F54-F85 HydrophobicContact CD1-CD2 3.74Å; F54-F85 HydrophobicContact CD1-CE2 4.32Å; F54-F85 HydrophobicContact CE1-CD2 4.11Å; F54-F85 HydrophobicContact CE1-CE2 4.23Å; F54-F85 HydrophobicContact CG-CD2 4.09Å; M55-F85 VanDerWaalsContact O-CA 3.23Å; M55-F85 WeakPolarHBondContact O-CA 3.41Å; F56-F85 HydrophobicContact CD1-CB 3.68Å; F56-F85 HydrophobicContact CE1-CB 3.73Å; F56-F85 HydrophobicContact CE1-CG 4.48Å
86C91.2Very high86.7Confident12 Ų1262.7 Ų62.78%0.08131%0.313CS..EExtended strand (participates in β ladder)trans-145.6157.7177.860.80000110.9F13 F54 M55 K88F13-C86 HydrophobicContact CD2-CB 3.86Å; F13-C86 HydrophobicContact CE2-CB 3.49Å; F13-C86 VanDerWaalsContact CE2-CB 3.49Å; F54-C86 CarbonylContact C-O 3.57Å; F54-C86 VanDerWaalsContact CA-O 3.28Å; F54-C86 WeakPolarHBondContact CA-O 3.44Å; M55-C86 PolarHBondContact N-O 3.47Å; M55-C86 PolarHBondContact O-N 3.29Å; C86-K88 PolarHBondContact O-N 3.37Å
87P89.3Confident87.8Confident30 Ų3064.2 Ų64.220%0.19532%0.317CS..EExtended strand (participates in β ladder)trans-55.3132.7176.9-26.135.8000111.4Y16 P52 F54 Q89Y16-P87 HydrophobicContact CD2-CG 3.9Å; Y16-P87 HydrophobicContact CE2-CG 3.35Å; P52-P87 HydrophobicContact CG-CB 4.14Å; P52-P87 HydrophobicContact CG-CG 4.47Å; F54-P87 HydrophobicContact CE1-CG 4.42Å; P87-Q89 PolarHBondContact O-N 3.12Å
88K88.3Confident88.9Confident119 Ų11956 Ų5652%0.51728%0.275SS..PPolyproline II helixtrans-63.2125.4173.8-174.9172.9-177.3175.90108.8E53 M55 C86E53-K88 HydrophobicContact CB-CB 4.07Å; E53-K88 HydrophobicContact CB-CD 4.24Å; E53-K88 VanDerWaalsContact O-CB 3.25Å; E53-K88 WeakPolarHBondContact O-CB 3.27Å; E53-K88 PolarHBondContact O-N 2.98Å; M55-K88 HydrophobicContact CG-CB 3.85Å; M55-K88 HydrophobicContact CG-CG 3.82Å; M55-K88 HydrophobicContact SD-CB 4.39Å; M55-K88 HydrophobicContact SD-CG 4.06Å; C86-K88 PolarHBondContact O-N 3.37Å
89Q86Confident90.1Very high19 Ų1957.4 Ų57.49%0.08928%0.28CS..PPolyproline II helixtrans-68.5141-179.6-68.9168-16.500110.5P87 R374 Y400 Y444P87-Q89 PolarHBondContact O-N 3.12Å; Q89-R374 VanDerWaalsContact NE2-CZ 3.28Å; Q89-Y400 PolarHBondContact O-OH 2.98Å; Q89-Y444 PolarHBondContact OE1-OH 3.21Å
90Q87.6Confident90.8Very high102 Ų10249.4 Ų49.448%0.47724%0.243SC..PPolyproline II helixtrans-74.4148.5173.7-70.5-174.516.300110.6P445Q90-P445 HydrophobicContact CB-CB 4.48Å; Q90-P445 HydrophobicContact CB-CG 3.54Å
91P89.3Confident90.9Very high60 Ų6055 Ų5539%0.3927%0.271SS..PPolyproline II helixtrans-61.6145.1175.125.4-33.9000110.7K93 Y400P91-K93 PolarHBondContact O-N 2.93Å; P91-Y400 HydrophobicContact CB-CD1 3.73Å; P91-Y400 HydrophobicContact CB-CE1 3.64Å; P91-Y400 HydrophobicContact CB-CE2 4.42Å; P91-Y400 HydrophobicContact CB-CG 4.18Å; P91-Y400 HydrophobicContact CG-CE1 4.44Å
92P92.3Very high90.9Very high13 Ų1358.4 Ų58.48%0.08429%0.289CS..PPolyproline II helixtrans-59.2138.6167.4-10.921.9000110.1L389 L402 I430 H443 Y444P92-L389 HydrophobicContact CG-CD2 3.64Å; P92-L402 HydrophobicContact CB-CD1 4.49Å; P92-L402 HydrophobicContact CB-CD2 3.63Å; P92-L402 HydrophobicContact CG-CD1 4.32Å; P92-L402 HydrophobicContact CG-CD2 3.75Å; P92-L402 HydrophobicContact CG-CG 4.47Å; P92-I430 HydrophobicContact CB-CD1 4.12Å; P92-I430 HydrophobicContact CG-CD1 3.92Å; P92-H443 CarbonylContact C-O 3.58Å; P92-H443 VanDerWaalsContact CA-O 3.31Å; P92-H443 WeakPolarHBondContact CA-O 3.44Å; P92-Y444 HydrophobicContact CB-CD2 3.89Å; P92-Y444 HydrophobicContact CG-CD2 3.5Å; P92-Y444 VanDerWaalsContact CG-CD2 3.5Å; P92-Y444 HydrophobicContact CG-CE2 3.91Å; P92-Y444 HydrophobicContact CG-CG 4.36Å
93K92.1Very high91Very high113 Ų11356.1 Ų56.149%0.49128%0.277SS..EExtended strand (participates in β ladder)trans-106.4127.8-176.5-65.5177.7-173.91670109.3P91 E95 Y442 H443P91-K93 PolarHBondContact O-N 2.93Å; K93-E95 PolarHBondContact O-N 2.74Å; K93-Y442 CarbonylContact O-C 3.55Å; K93-Y442 VanDerWaalsContact O-CA 3.28Å; K93-Y442 WeakPolarHBondContact O-CA 3.21Å; K93-H443 PolarHBondContact N-O 2.65Å; K93-H443 PolarHBondContact O-N 2.76Å
94Y92.1Very high91.1Very high117 Ų11756.1 Ų56.146%0.45928%0.277SS..EExtended strand (participates in β ladder)trans-55.7125.6168.7174.1-99.5000109.4R96 E97 K440 Y442Y94-R96 VanDerWaalsContact CE2-O 3.3Å; Y94-R96 WeakPolarHBondContact CE2-O 3.37Å; Y94-R96 VanDerWaalsContact OH-C 3.28Å; Y94-E97 HydrophobicContact CE2-CB 4.4Å; Y94-E97 WeakPolarHBondContact OH-CB 3.45Å; Y94-E97 WeakPolarHBondContact OH-CG 3.44Å; Y94-E97 PolarHBondContact OH-N 3.34Å; Y94-K440 HydrophobicContact CE2-CG 4.35Å; Y94-Y442 HydrophobicContact CD2-CD1 4.48Å; Y94-Y442 HydrophobicContact CD2-CE1 4.06Å
95E88.9Confident91.1Very high69 Ų6956.1 Ų56.132%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-106.1-49.7178.7-169.4-171.9160.900110.9K93 Y429 V441K93-E95 PolarHBondContact O-N 2.74Å; E95-Y429 WeakPolarHBondContact OE2-CE1 3.13Å; E95-V441 PolarHBondContact N-O 3.17Å
96R91.4Very high91.2Very high52 Ų5256.3 Ų56.320%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-166.2174.3-174.866.7-177.173.9-177.313.5112.4Y94 Y98 L128 S130 V441Y94-R96 VanDerWaalsContact CE2-O 3.3Å; Y94-R96 WeakPolarHBondContact CE2-O 3.37Å; Y94-R96 VanDerWaalsContact OH-C 3.28Å; R96-Y98 WeakPolarHBondContact CD-OH 3.18Å; R96-L128 PolarHBondContact NH1-O 3.22Å; R96-L128 PolarHBondContact NH2-O 3.04Å; R96-S130 PolarHBondContact NH1-O 2.89Å; R96-V441 HydrophobicContact CG-CB 3.87Å; R96-V441 HydrophobicContact CG-CG2 3.75Å; R96-V441 PolarHBondContact N-O 3.5Å; R96-V441 PolarHBondContact O-N 2.98Å
97E93.2Very high91.4Very high84 Ų8455.7 Ų55.739%0.39328%0.275SS..EExtended strand (participates in β ladder)trans-135.3152.7169.368.4-165.2170.400111.3Y94 V99 V439 K440Y94-E97 HydrophobicContact CE2-CB 4.4Å; Y94-E97 WeakPolarHBondContact OH-CB 3.45Å; Y94-E97 WeakPolarHBondContact OH-CG 3.44Å; Y94-E97 PolarHBondContact OH-N 3.34Å; E97-V99 HydrophobicContact CG-CG2 4.36Å; E97-V439 CarbonylContact C-O 3.55Å; E97-V439 WeakPolarHBondContact CA-O 3.44Å; E97-K440 HydrophobicContact CB-CG 4.13Å; E97-K440 IonicContact OE2-NZ 3.14Å; E97-K440 PolarHBondContact OE2-NZ 3.26Å
98Y93.3Very high91.7Very high2 Ų255.7 Ų55.71%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-111.9134.3168.1-58.4-75.8000108.3R96 I114 W126 S127 L128 S130 T438 V439 V441R96-Y98 WeakPolarHBondContact CD-OH 3.18Å; Y98-I114 HydrophobicContact CD2-CD1 4.13Å; Y98-I114 HydrophobicContact CE2-CD1 3.43Å; Y98-I114 VanDerWaalsContact CE2-CD1 3.43Å; Y98-W126 HydrophobicContact CD1-CB 4.26Å; Y98-W126 AromaticContact CD1-CD2 3.85Å; Y98-W126 HydrophobicContact CD1-CD2 3.85Å; Y98-W126 AromaticContact CD1-CE3 3.35Å; Y98-W126 HydrophobicContact CD1-CE3 3.35Å; Y98-W126 HydrophobicContact CD1-CG 4.23Å; Y98-W126 AromaticContact CD1-CZ3 3.99Å; Y98-W126 HydrophobicContact CD1-CZ3 3.99Å; Y98-W126 HydrophobicContact CE1-CB 4.16Å; Y98-W126 HydrophobicContact CE1-CE3 4.11Å; Y98-W126 HydrophobicContact CG-CB 4.46Å; Y98-W126 AromaticContact CG-CD2 3.92Å; Y98-W126 HydrophobicContact CG-CD2 3.92Å; Y98-W126 AromaticContact CG-CE3 3.84Å; Y98-W126 HydrophobicContact CG-CE3 3.84Å; Y98-W126 HydrophobicContact CG-CG 4.18Å; Y98-W126 HydrophobicContact CG-CZ3 4.44Å; Y98-S127 PolarHBondContact OH-O 3.03Å; Y98-L128 WeakPolarHBondContact OH-CA 3.21Å; Y98-S130 WeakPolarHBondContact CE1-O 3.44Å; Y98-T438 CarbonylContact O-C 3.51Å; Y98-T438 VanDerWaalsContact O-CA 3.25Å; Y98-T438 WeakPolarHBondContact O-CA 3.16Å; Y98-V439 HydrophobicContact CD2-CB 4.38Å; Y98-V439 PolarHBondContact N-O 3.38Å; Y98-V439 PolarHBondContact O-N 2.95Å; Y98-V441 HydrophobicContact CD2-CG2 4.17Å; Y98-V441 HydrophobicContact CE2-CG2 3.67Å
99V92.9Very high91.8Very high89 Ų8950.6 Ų50.654%0.53925%0.248SC..EExtended strand (participates in β ladder)trans-112.4134.6-175.7-174.40000109E97 S437 T438E97-V99 HydrophobicContact CG-CG2 4.36Å; V99-S437 WeakPolarHBondContact CA-O 3.23Å; V99-T438 HydrophobicContact CG2-CG2 4.2Å
100Q91Very high91.9Very high8 Ų850.6 Ų50.64%0.03725%0.25CS..  trans-116.6172.3173.2-71.8171.345.400109.5I104 T116 H124 W126 S437Q100-I104 HydrophobicContact CB-CD1 4.34Å; Q100-I104 HydrophobicContact CB-CG1 4.24Å; Q100-I104 HydrophobicContact CG-CD1 4.35Å; Q100-I104 HydrophobicContact CG-CG1 4.42Å; Q100-T116 PolarHBondContact NE2-OG1 3.04Å; Q100-H124 VanDerWaalsContact CD-CD2 3.45Å; Q100-H124 PolarHBondContact OE1-CD2 3.43Å; Q100-W126 HydrophobicContact CG-CH2 4.22Å; Q100-W126 HydrophobicContact CG-CZ2 3.6Å; Q100-S437 PolarHBondContact N-O 2.62Å; Q100-S437 WeakPolarHBondContact O-CB 3.43Å
101D86.6Confident91.7Very high162 Ų16247.5 Ų47.587%0.86624%0.237SC*.SBendtrans-82.7-22.2-176.4-67.6-30.8000112.9
102D91.2Very high91.7Very high77 Ų7747.4 Ų47.441%0.41223%0.231SC..SBendtrans-140.8-178-178.6-153.7-9.4000112.2I104 D120 S437D102-I104 PolarHBondContact O-N 3.46Å; D102-D120 HydrophobicContact CB-CB 3.86Å; D102-D120 WeakPolarHBondContact CB-OD2 3.29Å; D102-S437 VanDerWaalsContact C-OG 3.22Å; D102-S437 WeakPolarHBondContact O-CA 3.28Å; D102-S437 VanDerWaalsContact O-CB 3.29Å; D102-S437 WeakPolarHBondContact O-CB 3.45Å; D102-S437 PolarHBondContact O-OG 3.24Å; D102-S437 VanDerWaalsContact O-OG 3.1Å
103L92.3Very high91.6Very high44 Ų4448 Ų4823%0.2323%0.232CC..  trans-55.7127.6-178.6-179150.1000111.7G118 Y119 T410 A435L103-G118 WeakPolarHBondContact O-CA 3.31Å; L103-Y119 HydrophobicContact CD2-CD2 4.39Å; L103-Y119 HydrophobicContact CD2-CG 4.18Å; L103-Y119 PolarHBondContact O-N 3.24Å; L103-T410 HydrophobicContact CD2-CG2 4.37Å; L103-A435 HydrophobicContact CD1-CB 3.42Å; L103-A435 VanDerWaalsContact CD1-CB 3.42Å; L103-A435 HydrophobicContact CG-CB 3.85Å
104I95.2Very high91.7Very high0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-90121.4176.2-56.7161000108.1Q100 D102 C106 T410 S434 S437 V439Q100-I104 HydrophobicContact CB-CD1 4.34Å; Q100-I104 HydrophobicContact CB-CG1 4.24Å; Q100-I104 HydrophobicContact CG-CD1 4.35Å; Q100-I104 HydrophobicContact CG-CG1 4.42Å; D102-I104 PolarHBondContact O-N 3.46Å; I104-C106 WeakPolarHBondContact CG2-O 3.34Å; I104-T410 VanDerWaalsContact O-CB 3.26Å; I104-T410 WeakPolarHBondContact O-CB 3.24Å; I104-T410 VanDerWaalsContact O-CG2 3.3Å; I104-T410 WeakPolarHBondContact O-CG2 3.4Å; I104-T410 PolarHBondContact O-OG1 3.08Å; I104-S434 PolarHBondContact N-O 3.29Å; I104-S437 VanDerWaalsContact CD1-C 3.45Å; I104-V439 HydrophobicContact CD1-CG2 3.7Å; I104-V439 HydrophobicContact CG2-CG2 4.32Å
105S95.4Very high91.9Very high6 Ų637.1 Ų37.14%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-86.6-26.5-174.669.30000113.6G117 V143S105-G117 PolarHBondContact N-O 2.68Å; S105-G117 PolarHBondContact OG-O 3.24Å; S105-V143 VanDerWaalsContact CB-O 3.28Å; S105-V143 WeakPolarHBondContact CB-O 3.47Å; S105-V143 PolarHBondContact OG-O 2.78Å
106C95.6Very high92.2Very high4 Ų433.8 Ų33.83%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-162.7157.5-17555.40000112.3I104 T116 G117 C145 D411I104-C106 WeakPolarHBondContact CG2-O 3.34Å; C106-T116 WeakPolarHBondContact O-CA 3.19Å; C106-G117 PolarHBondContact O-N 3.45Å; C106-C145 WeakPolarHBondContact SG-CA 3.19Å; C106-D411 WeakPolarHBondContact CA-OD2 3.46Å
107V95.8Very high92.4Very high0 Ų031.3 Ų31.30%016%0.162CC..EExtended strand (participates in β ladder)trans-142.3135.3176.4610000111I114 L115 T116 D411 L431 V439V107-I114 HydrophobicContact CG2-CG2 3.48Å; V107-I114 VanDerWaalsContact CG2-CG2 3.48Å; V107-L115 WeakPolarHBondContact CA-O 3.48Å; V107-T116 HydrophobicContact CB-CG2 4.35Å; V107-T116 HydrophobicContact CG2-CG2 3.99Å; V107-D411 HydrophobicContact CG1-CB 4.32Å; V107-D411 PolarHBondContact N-OD2 3.41Å; V107-L431 HydrophobicContact CG2-CB 4.46Å; V107-L431 HydrophobicContact CG2-CD1 4.42Å; V107-V439 HydrophobicContact CG2-CG1 4.06Å; V107-V439 HydrophobicContact CG2-CG2 4.43Å
108R94.3Very high92.5Very high29 Ų2927.3 Ų27.311%0.10914%0.143CC..EExtended strand (participates in β ladder)trans-137.9140.6173.4-71.9-64.6-179.5-99.49.1112.2L115 V146 E147 W148 D411 D413R108-L115 PolarHBondContact N-O 3.48Å; R108-L115 PolarHBondContact O-N 2.75Å; R108-V146 HydrophobicContact CB-CG2 4.19Å; R108-V146 HydrophobicContact CG-CG2 4.08Å; R108-V146 VanDerWaalsContact CG-O 3.24Å; R108-V146 WeakPolarHBondContact CG-O 3.17Å; R108-E147 IonicContact NE-OE2 2.78Å; R108-E147 PolarHBondContact NE-OE2 2.84Å; R108-W148 PolarHBondContact O-NE1 2.87Å; R108-W148 VanDerWaalsContact O-NE1 3.09Å; R108-D411 IonicContact CZ-OD2 3.32Å; R108-D411 IonicContact NH1-OD1 3.36Å; R108-D411 PolarHBondContact NH1-OD1 2.82Å; R108-D411 IonicContact NH1-OD2 2.97Å; R108-D411 PolarHBondContact NH1-OD2 2.88Å; R108-D413 WeakPolarHBondContact CA-OD2 3.32Å
109R90.7Very high92.3Very high12 Ų1231.3 Ų31.35%0.04516%0.158CC..EExtended strand (participates in β ladder)trans-120.9133.2178.7-163.8-157.770.9127.518.1113.4D111 Y113 I114 D413 A415 P416 L431R109-D111 VanDerWaalsContact CD-O 3.27Å; R109-D111 WeakPolarHBondContact CD-O 3.4Å; R109-D111 WeakPolarHBondContact CG-O 3.47Å; R109-D111 PolarHBondContact NE-O 3.02Å; R109-D111 VanDerWaalsContact NE-O 3.14Å; R109-D111 PolarHBondContact NH1-O 2.75Å; R109-D111 PolarHBondContact NH2-O 3.32Å; R109-Y113 VanDerWaalsContact CA-O 3.3Å; R109-Y113 WeakPolarHBondContact CA-O 3.43Å; R109-Y113 WeakPolarHBondContact CG-O 3.31Å; R109-I114 HydrophobicContact CB-CG1 4.33Å; R109-I114 HydrophobicContact CG-CG1 3.74Å; R109-D413 PolarHBondContact N-OD2 3.42Å; R109-A415 VanDerWaalsContact NE-CA 3.26Å; R109-A415 VanDerWaalsContact NH1-CB 3.32Å; R109-A415 VanDerWaalsContact NH2-C 3.33Å; R109-P416 VanDerWaalsContact NH2-CD 3.31Å; R109-P416 VanDerWaalsContact NH2-N 3.14Å; R109-P416 PolarHBondContact NH2-O 2.68Å; R109-L431 HydrophobicContact CB-CD1 3.36Å; R109-L431 HydrophobicContact CG-CD1 3.91Å
110C87.7Confident92.3Very high19 Ų1930 Ų3013%0.12815%0.149CC..EExtended strand (participates in β ladder)trans-123117.5168.9-167.20000108.9K112 Y113 W148 L151C110-K112 PolarHBondContact O-N 3.29Å; C110-Y113 PolarHBondContact N-O 3.4Å; C110-Y113 PolarHBondContact O-N 3.41Å; C110-W148 HydrophobicContact CB-CB 4.05Å; C110-W148 HydrophobicContact CB-CD2 3.71Å; C110-W148 HydrophobicContact CB-CE3 4.39Å; C110-W148 HydrophobicContact CB-CG 3.53Å; C110-L151 HydrophobicContact CB-CD2 4.45Å; C110-L151 VanDerWaalsContact SG-CB 3.59Å
111D85.3Confident92.3Very high38 Ų3829.7 Ų29.720%0.20315%0.147CC..THydrogen-bonded Turntrans49.7-126.3-172.6-174.539.7000111.4R109 Y113 L151 Q153R109-D111 VanDerWaalsContact CD-O 3.27Å; R109-D111 WeakPolarHBondContact CD-O 3.4Å; R109-D111 WeakPolarHBondContact CG-O 3.47Å; R109-D111 PolarHBondContact NE-O 3.02Å; R109-D111 VanDerWaalsContact NE-O 3.14Å; R109-D111 PolarHBondContact NH1-O 2.75Å; R109-D111 PolarHBondContact NH2-O 3.32Å; D111-Y113 VanDerWaalsContact C-N 3.3Å; D111-Y113 PolarHBondContact O-N 2.91Å; D111-L151 HydrophobicContact CB-CD2 3.61Å; D111-Q153 PolarHBondContact OD2-NE2 3.12Å
112K87.5Confident92.7Very high58 Ų5822.8 Ų22.825%0.25211%0.111SC..THydrogen-bonded Turntrans-80.4-7.5178.867.4-177.1-171.3169.80114.9C110 S127 L128 D129 I418C110-K112 PolarHBondContact O-N 3.29Å; K112-S127 WeakPolarHBondContact O-CA 3.36Å; K112-L128 HydrophobicContact CB-CB 4.47Å; K112-L128 PolarHBondContact O-N 2.86Å; K112-D129 VanDerWaalsContact CD-OD2 3.29Å; K112-D129 WeakPolarHBondContact CD-OD2 3.44Å; K112-D129 IonicContact NZ-OD2 3.56Å; K112-D129 PolarHBondContact NZ-OD2 2.91Å; K112-I418 HydrophobicContact CB-CD1 4.12Å
113Y91.6Very high92.9Very high26 Ų2619.2 Ų19.210%0.1029%0.092CC..EExtended strand (participates in β ladder)trans-94.8134.1-173.3-56.8-66.6000111.6R109 C110 D111 W126 I134 L151 W174 L176R109-Y113 VanDerWaalsContact CA-O 3.3Å; R109-Y113 WeakPolarHBondContact CA-O 3.43Å; R109-Y113 WeakPolarHBondContact CG-O 3.31Å; C110-Y113 PolarHBondContact N-O 3.4Å; C110-Y113 PolarHBondContact O-N 3.41Å; D111-Y113 VanDerWaalsContact C-N 3.3Å; D111-Y113 PolarHBondContact O-N 2.91Å; Y113-W126 CarbonylContact C-O 3.49Å; Y113-W126 VanDerWaalsContact CA-O 3.28Å; Y113-W126 WeakPolarHBondContact CA-O 3.36Å; Y113-I134 HydrophobicContact CD1-CD1 3.83Å; Y113-I134 HydrophobicContact CE1-CD1 3.71Å; Y113-L151 HydrophobicContact CD2-CD1 4.07Å; Y113-L151 HydrophobicContact CD2-CD2 3.89Å; Y113-L151 HydrophobicContact CE2-CD1 4Å; Y113-L151 HydrophobicContact CE2-CD2 4.19Å; Y113-W174 AromaticContact CD1-CH2 3.65Å; Y113-W174 HydrophobicContact CD1-CH2 3.65Å; Y113-W174 HydrophobicContact CD1-CZ3 4Å; Y113-W174 HydrophobicContact CD2-CZ3 4.3Å; Y113-W174 AromaticContact CE1-CH2 3.68Å; Y113-W174 HydrophobicContact CE1-CH2 3.68Å; Y113-W174 HydrophobicContact CE1-CZ3 4.32Å; Y113-W174 HydrophobicContact CG-CH2 4.12Å; Y113-W174 AromaticContact CG-CZ3 3.98Å; Y113-W174 HydrophobicContact CG-CZ3 3.98Å; Y113-L176 HydrophobicContact CE2-CD2 3.8Å; Y113-L176 WeakPolarHBondContact OH-CD2 3.3Å
114I93.8Very high93Very high0 Ų018.1 Ų18.10%09%0.086CC..EExtended strand (participates in β ladder)trans-113.7128.1176.7-57.7160.8000107.5Y98 V107 R109 T116 I125 W126 L128 L431 V441Y98-I114 HydrophobicContact CD2-CD1 4.13Å; Y98-I114 HydrophobicContact CE2-CD1 3.43Å; Y98-I114 VanDerWaalsContact CE2-CD1 3.43Å; V107-I114 HydrophobicContact CG2-CG2 3.48Å; V107-I114 VanDerWaalsContact CG2-CG2 3.48Å; R109-I114 HydrophobicContact CB-CG1 4.33Å; R109-I114 HydrophobicContact CG-CG1 3.74Å; I114-T116 HydrophobicContact CG2-CG2 3.97Å; I114-I125 CarbonylContact O-C 3.54Å; I114-I125 WeakPolarHBondContact O-CA 3.27Å; I114-W126 HydrophobicContact CB-CB 4.17Å; I114-W126 PolarHBondContact N-O 3.29Å; I114-W126 PolarHBondContact O-N 2.87Å; I114-L128 HydrophobicContact CD1-CD2 3.8Å; I114-L128 HydrophobicContact CD1-CG 4.29Å; I114-L431 HydrophobicContact CD1-CD2 3.84Å; I114-L431 HydrophobicContact CG1-CD1 4.18Å; I114-L431 HydrophobicContact CG1-CD2 4.37Å; I114-V441 HydrophobicContact CD1-CG2 4.38Å
115L95.3Very high93Very high0 Ų018.1 Ų18.10%09%0.086CC..EExtended strand (participates in β ladder)trans-105.3131.3173.9-174.862.6000108.6V107 R108 L123 I125 V146 W148 F160V107-L115 WeakPolarHBondContact CA-O 3.48Å; R108-L115 PolarHBondContact N-O 3.48Å; R108-L115 PolarHBondContact O-N 2.75Å; L115-L123 HydrophobicContact CD1-CD1 3.8Å; L115-L123 HydrophobicContact CD1-CD2 4.31Å; L115-L123 HydrophobicContact CD1-CG 4.06Å; L115-L123 HydrophobicContact CG-CD1 4.36Å; L115-I125 HydrophobicContact CD1-CD1 4.49Å; L115-I125 HydrophobicContact CD1-CG1 3.82Å; L115-V146 HydrophobicContact CB-CG2 4.31Å; L115-V146 HydrophobicContact CD2-CB 3.67Å; L115-V146 HydrophobicContact CD2-CG1 4.39Å; L115-V146 HydrophobicContact CD2-CG2 3.98Å; L115-V146 HydrophobicContact CG-CB 3.89Å; L115-V146 HydrophobicContact CG-CG1 4.28Å; L115-V146 HydrophobicContact CG-CG2 3.84Å; L115-W148 HydrophobicContact CB-CH2 4.5Å; L115-W148 HydrophobicContact CB-CZ2 3.58Å; L115-W148 HydrophobicContact CD2-CD2 4.43Å; L115-W148 HydrophobicContact CD2-CZ2 4.41Å; L115-W148 HydrophobicContact CG-CZ2 4.45Å; L115-F160 HydrophobicContact CD1-CD2 4.22Å; L115-F160 HydrophobicContact CD1-CE2 4.24Å; L115-F160 HydrophobicContact CD2-CB 3.7Å; L115-F160 HydrophobicContact CD2-CD2 3.69Å; L115-F160 HydrophobicContact CD2-CE2 4.48Å; L115-F160 HydrophobicContact CD2-CG 3.75Å
116T96.7Very high92.9Very high0 Ų018.5 Ų18.50%09%0.086CC..EExtended strand (participates in β ladder)trans-133.7135.6179.857.10000110Q100 C106 V107 I114 L123 H124 W126 V439Q100-T116 PolarHBondContact NE2-OG1 3.04Å; C106-T116 WeakPolarHBondContact O-CA 3.19Å; V107-T116 HydrophobicContact CB-CG2 4.35Å; V107-T116 HydrophobicContact CG2-CG2 3.99Å; I114-T116 HydrophobicContact CG2-CG2 3.97Å; T116-L123 WeakPolarHBondContact O-CA 3.28Å; T116-H124 PolarHBondContact N-O 3.31Å; T116-H124 PolarHBondContact O-N 2.88Å; T116-H124 WeakPolarHBondContact OG1-CB 3.44Å; T116-H124 PolarHBondContact OG1-O 3.31Å; T116-W126 PolarHBondContact OG1-NE1 3.25Å; T116-V439 HydrophobicContact CG2-CG2 3.56Å
117G95.5Very high92.7Very high0 Ų018.6 Ų18.60%09%0.087CC..EExtended strand (participates in β ladder)trans-105.5137.2170.700000111.3S105 C106S105-G117 PolarHBondContact N-O 2.68Å; S105-G117 PolarHBondContact OG-O 3.24Å; C106-G117 PolarHBondContact O-N 3.45Å
118G93.8Very high92.3Very high0 Ų019 Ų190%09%0.089CC..EExtended strand (participates in β ladder)trans-101.3151.2176.600000112.8L103 D120 G121 T122 V143L103-G118 WeakPolarHBondContact O-CA 3.31Å; G118-D120 WeakPolarHBondContact CA-OD1 3.43Å; G118-D120 PolarHBondContact O-N 2.89Å; G118-G121 PolarHBondContact O-N 3.47Å; G118-T122 PolarHBondContact N-O 3.06Å; G118-V143 PolarHBondContact O-N 2.93Å; G118-V143 VanDerWaalsContact O-N 3.14Å
119Y90.9Very high91.9Very high85 Ų8523.1 Ų23.133%0.33311%0.113SC..THydrogen-bonded Turntrans-78.8-4.6175.4-148.8-107000113.5L103 K142 F165L103-Y119 HydrophobicContact CD2-CD2 4.39Å; L103-Y119 HydrophobicContact CD2-CG 4.18Å; L103-Y119 PolarHBondContact O-N 3.24Å; Y119-K142 HydrophobicContact CD1-CD 3.71Å; Y119-K142 HydrophobicContact CD2-CD 4.45Å; Y119-K142 HydrophobicContact CE1-CD 3.66Å; Y119-K142 HydrophobicContact CE2-CD 4.4Å; Y119-K142 HydrophobicContact CG-CD 4.13Å; Y119-K142 WeakPolarHBondContact O-CD 3.2Å; Y119-K142 WeakPolarHBondContact O-CE 3.42Å; Y119-K142 WeakPolarHBondContact O-CG 3.38Å; Y119-F165 AromaticContact CE2-CE2 3.64Å; Y119-F165 HydrophobicContact CE2-CE2 3.64Å; Y119-F165 AromaticContact CE2-CZ 3.86Å; Y119-F165 HydrophobicContact CE2-CZ 3.86Å; Y119-F165 AromaticContact CZ-CE2 3.99Å; Y119-F165 AromaticContact CZ-CZ 3.78Å; Y119-F165 WeakPolarHBondContact OH-CZ 3.46Å
120D91.4Very high91.7Very high62 Ų6224.3 Ų24.333%0.33212%0.124SC..THydrogen-bonded Turntrans-88.1-4168.758.6-4.5000112.8D102 G118 T122D102-D120 HydrophobicContact CB-CB 3.86Å; D102-D120 WeakPolarHBondContact CB-OD2 3.29Å; G118-D120 WeakPolarHBondContact CA-OD1 3.43Å; G118-D120 PolarHBondContact O-N 2.89Å; D120-T122 WeakPolarHBondContact OD1-CB 3.36Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.47Å; D120-T122 PolarHBondContact OD1-N 2.83Å; D120-T122 PolarHBondContact OD1-OG1 3.02Å; D120-T122 WeakPolarHBondContact OD2-CG2 3.36Å; D120-T122 PolarHBondContact OD2-OG1 3.22Å
121G91.9Very high91.4Very high1 Ų132 Ų321%0.0116%0.155CC..SBendtrans905.4-174.900000113.8G118 L139 E141G118-G121 PolarHBondContact O-N 3.47Å; G121-L139 WeakPolarHBondContact O-CB 3.45Å; G121-L139 PolarHBondContact O-N 2.8Å; G121-E141 WeakPolarHBondContact CA-O 3.43Å
122T94.4Very high91.6Very high18 Ų1834 Ų3411%0.1117%0.171CC..EExtended strand (participates in β ladder)trans-77.4149.8174.4620000111.8G118 D120 M137 E138G118-T122 PolarHBondContact N-O 3.06Å; D120-T122 WeakPolarHBondContact OD1-CB 3.36Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.47Å; D120-T122 PolarHBondContact OD1-N 2.83Å; D120-T122 PolarHBondContact OD1-OG1 3.02Å; D120-T122 WeakPolarHBondContact OD2-CG2 3.36Å; D120-T122 PolarHBondContact OD2-OG1 3.22Å; T122-M137 CarbonylContact C-O 3.54Å; T122-M137 WeakPolarHBondContact CA-O 3.39Å; T122-E138 HydrophobicContact CG2-CG 4.4Å
123L94.8Very high91.6Very high1 Ų132.4 Ų32.41%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-132.8127.4172.2-177.383.8000107.9L115 T116 S136 M137 V146 F160 T162L115-L123 HydrophobicContact CD1-CD1 3.8Å; L115-L123 HydrophobicContact CD1-CD2 4.31Å; L115-L123 HydrophobicContact CD1-CG 4.06Å; L115-L123 HydrophobicContact CG-CD1 4.36Å; T116-L123 WeakPolarHBondContact O-CA 3.28Å; L123-S136 CarbonylContact O-C 3.54Å; L123-S136 WeakPolarHBondContact O-CA 3.22Å; L123-M137 HydrophobicContact CB-CB 4.34Å; L123-M137 HydrophobicContact CD2-SD 4.08Å; L123-M137 PolarHBondContact N-O 3.38Å; L123-M137 PolarHBondContact O-N 3.45Å; L123-V146 HydrophobicContact CD1-CG1 3.69Å; L123-F160 HydrophobicContact CD2-CE2 3.49Å; L123-F160 VanDerWaalsContact CD2-CE2 3.49Å; L123-F160 HydrophobicContact CD2-CZ 3.82Å; L123-T162 HydrophobicContact CD1-CG2 3.65Å; L123-T162 HydrophobicContact CD2-CG2 3.99Å; L123-T162 HydrophobicContact CG-CG2 4.45Å
124H95.3Very high91.6Very high21 Ų2133.6 Ų33.610%0.09718%0.177CC..EExtended strand (participates in β ladder)trans-124.6142.6179.2-60.6-85.4000111.8Q100 T116 W126 L135 S136Q100-H124 VanDerWaalsContact CD-CD2 3.45Å; Q100-H124 PolarHBondContact OE1-CD2 3.43Å; T116-H124 PolarHBondContact N-O 3.31Å; T116-H124 PolarHBondContact O-N 2.88Å; T116-H124 WeakPolarHBondContact OG1-CB 3.44Å; T116-H124 PolarHBondContact OG1-O 3.31Å; H124-W126 VanDerWaalsContact CB-CE2 3.5Å; H124-W126 HydrophobicContact CB-CZ2 3.55Å; H124-W126 VanDerWaalsContact CB-NE1 3.29Å; H124-W126 AromaticContact CG-CZ2 3.71Å; H124-L135 WeakPolarHBondContact CA-O 3.13Å; H124-S136 VanDerWaalsContact CE1-CB 3.46Å; H124-S136 WeakPolarHBondContact CE1-CB 3.48Å; H124-S136 PolarHBondContact CE1-OG 3.39Å; H124-S136 VanDerWaalsContact CE1-OG 3.26Å; H124-S136 VanDerWaalsContact ND1-CB 3.28Å; H124-S136 WeakPolarHBondContact ND1-CB 3.18Å; H124-S136 PolarHBondContact ND1-OG 3.48Å
125I95.3Very high91.5Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-112.6122.2168.3-56.1-179.3000107.9I114 L115 A133 I134 L135 W148 F160 W174I114-I125 CarbonylContact O-C 3.54Å; I114-I125 WeakPolarHBondContact O-CA 3.27Å; L115-I125 HydrophobicContact CD1-CD1 4.49Å; L115-I125 HydrophobicContact CD1-CG1 3.82Å; I125-A133 CarbonylContact O-C 3.58Å; I125-I134 PolarHBondContact O-N 3.24Å; I125-L135 HydrophobicContact CB-CB 4.21Å; I125-L135 HydrophobicContact CD1-CD2 3.88Å; I125-L135 HydrophobicContact CG1-CB 4.46Å; I125-L135 HydrophobicContact CG1-CD2 4.34Å; I125-L135 PolarHBondContact N-O 3.12Å; I125-L135 PolarHBondContact O-N 3.12Å; I125-W148 HydrophobicContact CG2-CH2 4.46Å; I125-F160 HydrophobicContact CD1-CE1 3.8Å; I125-F160 HydrophobicContact CD1-CZ 4.21Å; I125-W174 HydrophobicContact CD1-CD2 3.8Å; I125-W174 HydrophobicContact CD1-CE3 3.69Å; I125-W174 HydrophobicContact CD1-CG 4.27Å; I125-W174 HydrophobicContact CD1-CZ3 4.14Å; I125-W174 HydrophobicContact CG2-CE3 4.25Å; I125-W174 HydrophobicContact CG2-CH2 3.62Å; I125-W174 HydrophobicContact CG2-CZ2 4.28Å; I125-W174 HydrophobicContact CG2-CZ3 3.6Å
126W93.8Very high91.4Very high14 Ų1438.4 Ų38.45%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-111.4162.1178-4483.8000109.9Y98 Q100 Y113 I114 T116 H124 A133Y98-W126 HydrophobicContact CD1-CB 4.26Å; Y98-W126 AromaticContact CD1-CD2 3.85Å; Y98-W126 HydrophobicContact CD1-CD2 3.85Å; Y98-W126 AromaticContact CD1-CE3 3.35Å; Y98-W126 HydrophobicContact CD1-CE3 3.35Å; Y98-W126 HydrophobicContact CD1-CG 4.23Å; Y98-W126 AromaticContact CD1-CZ3 3.99Å; Y98-W126 HydrophobicContact CD1-CZ3 3.99Å; Y98-W126 HydrophobicContact CE1-CB 4.16Å; Y98-W126 HydrophobicContact CE1-CE3 4.11Å; Y98-W126 HydrophobicContact CG-CB 4.46Å; Y98-W126 AromaticContact CG-CD2 3.92Å; Y98-W126 HydrophobicContact CG-CD2 3.92Å; Y98-W126 AromaticContact CG-CE3 3.84Å; Y98-W126 HydrophobicContact CG-CE3 3.84Å; Y98-W126 HydrophobicContact CG-CG 4.18Å; Y98-W126 HydrophobicContact CG-CZ3 4.44Å; Q100-W126 HydrophobicContact CG-CH2 4.22Å; Q100-W126 HydrophobicContact CG-CZ2 3.6Å; Y113-W126 CarbonylContact C-O 3.49Å; Y113-W126 VanDerWaalsContact CA-O 3.28Å; Y113-W126 WeakPolarHBondContact CA-O 3.36Å; I114-W126 HydrophobicContact CB-CB 4.17Å; I114-W126 PolarHBondContact N-O 3.29Å; I114-W126 PolarHBondContact O-N 2.87Å; T116-W126 PolarHBondContact OG1-NE1 3.25Å; H124-W126 VanDerWaalsContact CB-CE2 3.5Å; H124-W126 HydrophobicContact CB-CZ2 3.55Å; H124-W126 VanDerWaalsContact CB-NE1 3.29Å; H124-W126 AromaticContact CG-CZ2 3.71Å; W126-A133 HydrophobicContact CD2-CB 4.16Å; W126-A133 VanDerWaalsContact CE3-CA 3.46Å; W126-A133 HydrophobicContact CE3-CB 3.76Å; W126-A133 VanDerWaalsContact CE3-N 3.35Å; W126-A133 HydrophobicContact CH2-CB 3.86Å; W126-A133 HydrophobicContact CZ2-CB 4.21Å; W126-A133 HydrophobicContact CZ3-CB 3.63Å; W126-A133 VanDerWaalsContact CZ3-N 3.27Å
127S90.7Very high91.3Very high6 Ų640 Ų404%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-126.7140.5167.2163.40000109.7Y98 K112 D129 S130 I134Y98-S127 PolarHBondContact OH-O 3.03Å; K112-S127 WeakPolarHBondContact O-CA 3.36Å; S127-D129 PolarHBondContact O-N 2.91Å; S127-D129 WeakPolarHBondContact OG-CB 3.21Å; S127-D129 PolarHBondContact OG-N 3.43Å; S127-S130 PolarHBondContact O-N 3.07Å; S127-I134 VanDerWaalsContact CB-CD1 3.44Å
128L87.4Confident91.1Very high9 Ų948.3 Ų48.35%0.04726%0.255CS..THydrogen-bonded Turntrans-59.1-11.5170.1-67.8175.1000113.6R96 Y98 K112 I114 I418 Y429 V441R96-L128 PolarHBondContact NH1-O 3.22Å; R96-L128 PolarHBondContact NH2-O 3.04Å; Y98-L128 WeakPolarHBondContact OH-CA 3.21Å; K112-L128 HydrophobicContact CB-CB 4.47Å; K112-L128 PolarHBondContact O-N 2.86Å; I114-L128 HydrophobicContact CD1-CD2 3.8Å; I114-L128 HydrophobicContact CD1-CG 4.29Å; L128-I418 HydrophobicContact CD1-CD1 3.93Å; L128-Y429 HydrophobicContact CD1-CD2 3.72Å; L128-Y429 HydrophobicContact CD1-CE2 3.69Å; L128-V441 HydrophobicContact CD2-CG1 3.94Å; L128-V441 HydrophobicContact CD2-CG2 4.31Å
129D86.4Confident91Very high116 Ų11649.9 Ų49.962%0.6226%0.263SS*.THydrogen-bonded Turntrans-88.6-16.9174.4-57-32.4000112.7K112 S127K112-D129 VanDerWaalsContact CD-OD2 3.29Å; K112-D129 WeakPolarHBondContact CD-OD2 3.44Å; K112-D129 IonicContact NZ-OD2 3.56Å; K112-D129 PolarHBondContact NZ-OD2 2.91Å; S127-D129 PolarHBondContact O-N 2.91Å; S127-D129 WeakPolarHBondContact OG-CB 3.21Å; S127-D129 PolarHBondContact OG-N 3.43Å
130S86.4Confident90.9Very high37 Ų3755.1 Ų55.126%0.25929%0.291SS..  trans-118.7161.5-173.9-175.30000111.3R96 Y98 S127 S132R96-S130 PolarHBondContact NH1-O 2.89Å; Y98-S130 WeakPolarHBondContact CE1-O 3.44Å; S127-S130 PolarHBondContact O-N 3.07Å; S130-S132 PolarHBondContact OG-N 3.31Å; S130-S132 VanDerWaalsContact OG-N 3.15Å; S130-S132 PolarHBondContact OG-O 2.83Å; S130-S132 PolarHBondContact OG-OG 3.06Å
131K82.2Confident91Very high180 Ų18057 Ų5778%0.78330%0.298SS*.SBendtrans-100.4-24.9166.8-70.2-169.9176.1-171.70112.7
132S87.8Confident91.1Very high79 Ų7960.7 Ų60.755%0.55231%0.313SS*.SBendtrans-89.9149.4175.2600000110.3S130 I134S130-S132 PolarHBondContact OG-N 3.31Å; S130-S132 VanDerWaalsContact OG-N 3.15Å; S130-S132 PolarHBondContact OG-O 2.83Å; S130-S132 PolarHBondContact OG-OG 3.06Å; S132-I134 PolarHBondContact O-N 3.17Å
133A88.4Confident91.2Very high25 Ų2560 Ų6021%0.20731%0.309CS..  trans-55137.716800000109.4I125 W126 L135I125-A133 CarbonylContact O-C 3.58Å; W126-A133 HydrophobicContact CD2-CB 4.16Å; W126-A133 VanDerWaalsContact CE3-CA 3.46Å; W126-A133 HydrophobicContact CE3-CB 3.76Å; W126-A133 VanDerWaalsContact CE3-N 3.35Å; W126-A133 HydrophobicContact CH2-CB 3.86Å; W126-A133 HydrophobicContact CZ2-CB 4.21Å; W126-A133 HydrophobicContact CZ3-CB 3.63Å; W126-A133 VanDerWaalsContact CZ3-N 3.27Å; A133-L135 VanDerWaalsContact C-N 3.31Å
134I91.3Very high91.3Very high51 Ų5162.5 Ų62.526%0.26232%0.32SS..SBendtrans-68.5-41.9168.4-64.5172.7000108.9Y113 I125 S127 S132 W174 N179Y113-I134 HydrophobicContact CD1-CD1 3.83Å; Y113-I134 HydrophobicContact CE1-CD1 3.71Å; I125-I134 PolarHBondContact O-N 3.24Å; S127-I134 VanDerWaalsContact CB-CD1 3.44Å; S132-I134 PolarHBondContact O-N 3.17Å; I134-W174 HydrophobicContact CD1-CH2 4.21Å; I134-W174 HydrophobicContact CD1-CZ2 4.49Å; I134-W174 HydrophobicContact CG2-CZ2 3.89Å; I134-N179 WeakPolarHBondContact CG2-OD1 3.29Å
135L92.9Very high91.3Very high30 Ų3061.9 Ų61.916%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-142142.7-176.7-175.780.1000109.8H124 I125 A133 M137 V181H124-L135 WeakPolarHBondContact CA-O 3.13Å; I125-L135 HydrophobicContact CB-CB 4.21Å; I125-L135 HydrophobicContact CD1-CD2 3.88Å; I125-L135 HydrophobicContact CG1-CB 4.46Å; I125-L135 HydrophobicContact CG1-CD2 4.34Å; I125-L135 PolarHBondContact N-O 3.12Å; I125-L135 PolarHBondContact O-N 3.12Å; A133-L135 VanDerWaalsContact C-N 3.31Å; L135-M137 HydrophobicContact CD1-CG 4.48Å; L135-M137 HydrophobicContact CD2-CG 3.75Å; L135-M137 HydrophobicContact CD2-SD 3.59Å; L135-M137 VanDerWaalsContact CD2-SD 3.59Å; L135-M137 HydrophobicContact CG-CG 3.95Å; L135-M137 HydrophobicContact CG-SD 4.43Å; L135-V181 HydrophobicContact CD1-CG2 4.47Å; L135-V181 HydrophobicContact CD2-CB 3.86Å; L135-V181 HydrophobicContact CD2-CG2 3.15Å; L135-V181 HydrophobicContact CG-CG2 4.39Å
136S93.2Very high91.4Very high72 Ų7262 Ų6250%0.50332%0.318SS..EExtended strand (participates in β ladder)trans-130.7133.3168.6-51.50000108.2L123 H124L123-S136 CarbonylContact O-C 3.54Å; L123-S136 WeakPolarHBondContact O-CA 3.22Å; H124-S136 VanDerWaalsContact CE1-CB 3.46Å; H124-S136 WeakPolarHBondContact CE1-CB 3.48Å; H124-S136 PolarHBondContact CE1-OG 3.39Å; H124-S136 VanDerWaalsContact CE1-OG 3.26Å; H124-S136 VanDerWaalsContact ND1-CB 3.28Å; H124-S136 WeakPolarHBondContact ND1-CB 3.18Å; H124-S136 PolarHBondContact ND1-OG 3.48Å
137M93.3Very high91.5Very high34 Ų3462.6 Ų62.617%0.16732%0.322CS..EExtended strand (participates in β ladder)trans-131.2148.7178.9-56.4176.166.200109.3T122 L123 L135 W172 V181T122-M137 CarbonylContact C-O 3.54Å; T122-M137 WeakPolarHBondContact CA-O 3.39Å; L123-M137 HydrophobicContact CB-CB 4.34Å; L123-M137 HydrophobicContact CD2-SD 4.08Å; L123-M137 PolarHBondContact N-O 3.38Å; L123-M137 PolarHBondContact O-N 3.45Å; L135-M137 HydrophobicContact CD1-CG 4.48Å; L135-M137 HydrophobicContact CD2-CG 3.75Å; L135-M137 HydrophobicContact CD2-SD 3.59Å; L135-M137 VanDerWaalsContact CD2-SD 3.59Å; L135-M137 HydrophobicContact CG-CG 3.95Å; L135-M137 HydrophobicContact CG-SD 4.43Å; M137-W172 HydrophobicContact CE-CE3 3.81Å; M137-W172 HydrophobicContact CE-CH2 3.94Å; M137-W172 HydrophobicContact CE-CZ3 3.41Å; M137-W172 VanDerWaalsContact CE-CZ3 3.41Å; M137-V181 HydrophobicContact CE-CB 4.19Å; M137-V181 HydrophobicContact CE-CG1 3.8Å; M137-V181 HydrophobicContact SD-CB 3.81Å; M137-V181 HydrophobicContact SD-CG1 3.54Å; M137-V181 VanDerWaalsContact SD-CG1 3.54Å; M137-V181 HydrophobicContact SD-CG2 4.39Å
138E92.4Very high91.6Very high174 Ų17462.8 Ų62.881%0.81332%0.322SS*.EExtended strand (participates in β ladder)trans-112.2122.7172.3-69.4176-168.600108.3T122T122-E138 HydrophobicContact CG2-CG 4.4Å
139L92Very high91.6Very high33 Ų3362.7 Ų62.717%0.17332%0.321CS..  trans-98161.2174-56.6-173.2000109.9G121 E141 V143 T162 W172G121-L139 WeakPolarHBondContact O-CB 3.45Å; G121-L139 PolarHBondContact O-N 2.8Å; L139-E141 PolarHBondContact O-N 2.78Å; L139-V143 HydrophobicContact CD1-CG2 3.72Å; L139-V143 HydrophobicContact CG-CG2 4.48Å; L139-T162 HydrophobicContact CD1-CG2 4.47Å; L139-W172 HydrophobicContact CD1-CZ2 4.09Å; L139-W172 HydrophobicContact CD2-CH2 3.49Å; L139-W172 VanDerWaalsContact CD2-CH2 3.49Å; L139-W172 HydrophobicContact CD2-CZ2 3.45Å; L139-W172 VanDerWaalsContact CD2-CZ2 3.45Å; L139-W172 HydrophobicContact CG-CZ2 4.47Å
140E88.2Confident91.7Very high195 Ų19558.5 Ų58.591%0.91130%0.301SS*.SBendtrans-64.1-27.1-176.8-63.7-176.1168.300113.1
141E93.2Very high91.8Very high102 Ų10258.5 Ų58.548%0.47730%0.298SS..SBendtrans-141.4167.2-174.4-78.4-65.8167.400111.2G121 L139 F165 D166G121-E141 WeakPolarHBondContact CA-O 3.43Å; L139-E141 PolarHBondContact O-N 2.78Å; E141-F165 HydrophobicContact CB-CB 4.49Å; E141-D166 HydrophobicContact CB-CB 4.03Å; E141-D166 HydrophobicContact CG-CB 4.27Å
142K94.6Very high92Very high78 Ų7851.6 Ų51.634%0.33927%0.269SS..  trans-61.8133.3-175.1-46.5-174.8170.8-173.10112.2Y119 G164 F165Y119-K142 HydrophobicContact CD1-CD 3.71Å; Y119-K142 HydrophobicContact CD2-CD 4.45Å; Y119-K142 HydrophobicContact CE1-CD 3.66Å; Y119-K142 HydrophobicContact CE2-CD 4.4Å; Y119-K142 HydrophobicContact CG-CD 4.13Å; Y119-K142 WeakPolarHBondContact O-CD 3.2Å; Y119-K142 WeakPolarHBondContact O-CE 3.42Å; Y119-K142 WeakPolarHBondContact O-CG 3.38Å; K142-G164 WeakPolarHBondContact O-CA 3.24Å; K142-F165 HydrophobicContact CB-CB 4.35Å; K142-F165 HydrophobicContact CB-CD2 3.66Å; K142-F165 HydrophobicContact CB-CE2 4.26Å; K142-F165 HydrophobicContact CB-CG 4.13Å; K142-F165 HydrophobicContact CD-CD2 4.44Å; K142-F165 HydrophobicContact CG-CD2 4.48Å; K142-F165 PolarHBondContact O-N 3.26Å; K142-F165 VanDerWaalsContact O-N 3.11Å
143V95.8Very high91.7Very high3 Ų353.1 Ų53.12%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-87.7124.3175.5-174.10000108.7S105 G118 L139 V146S105-V143 VanDerWaalsContact CB-O 3.28Å; S105-V143 WeakPolarHBondContact CB-O 3.47Å; S105-V143 PolarHBondContact OG-O 2.78Å; G118-V143 PolarHBondContact O-N 2.93Å; G118-V143 VanDerWaalsContact O-N 3.14Å; L139-V143 HydrophobicContact CD1-CG2 3.72Å; L139-V143 HydrophobicContact CG-CG2 4.48Å; V143-V146 HydrophobicContact CG1-CG1 3.7Å
144K96.7Very high91.6Very high54 Ų5458 Ų5824%0.23530%0.295CS..EExtended strand (participates in β ladder)trans-102.3-30.9179.4177.461.1-157.479.30112.9G163 F165 T193 M195K144-G163 PolarHBondContact N-O 3.35Å; K144-F165 HydrophobicContact CB-CE2 4.32Å; K144-T193 HydrophobicContact CB-CG2 4.42Å; K144-M195 HydrophobicContact CD-CE 4.34Å; K144-M195 HydrophobicContact CD-SD 4.41Å; K144-M195 HydrophobicContact CG-CE 4.41Å; K144-M195 HydrophobicContact CG-SD 4Å
145C96.6Very high91.3Very high7 Ų762 Ų625%0.04731%0.311CS..EExtended strand (participates in β ladder)trans-148.4150.7-179.355.50000110.9C106 G163C106-C145 WeakPolarHBondContact SG-CA 3.19Å; C145-G163 PolarHBondContact N-O 2.93Å; C145-G163 PolarHBondContact O-N 3.47Å
146V96.3Very high91.1Very high3 Ų364.3 Ų64.32%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-136151.6175.6-60.30000108.5R108 L115 L123 V143 V161 T162R108-V146 HydrophobicContact CB-CG2 4.19Å; R108-V146 HydrophobicContact CG-CG2 4.08Å; R108-V146 VanDerWaalsContact CG-O 3.24Å; R108-V146 WeakPolarHBondContact CG-O 3.17Å; L115-V146 HydrophobicContact CB-CG2 4.31Å; L115-V146 HydrophobicContact CD2-CB 3.67Å; L115-V146 HydrophobicContact CD2-CG1 4.39Å; L115-V146 HydrophobicContact CD2-CG2 3.98Å; L115-V146 HydrophobicContact CG-CB 3.89Å; L115-V146 HydrophobicContact CG-CG1 4.28Å; L115-V146 HydrophobicContact CG-CG2 3.84Å; L123-V146 HydrophobicContact CD1-CG1 3.69Å; V143-V146 HydrophobicContact CG1-CG1 3.7Å; V146-V161 CarbonylContact C-O 3.58Å; V146-V161 WeakPolarHBondContact CA-O 3.23Å; V146-T162 HydrophobicContact CG1-CG2 4.19Å
147E95.2Very high91Very high27 Ų2762.6 Ų62.613%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-154135.6178.5-177.570.116900111.1R108 F160 V161 I197 S199R108-E147 IonicContact NE-OE2 2.78Å; R108-E147 PolarHBondContact NE-OE2 2.84Å; E147-F160 CarbonylContact O-C 3.5Å; E147-F160 VanDerWaalsContact O-CA 3.26Å; E147-F160 WeakPolarHBondContact O-CA 3.45Å; E147-F160 WeakPolarHBondContact O-CB 3.44Å; E147-V161 PolarHBondContact N-O 3.26Å; E147-V161 PolarHBondContact O-N 3.18Å; E147-I197 HydrophobicContact CB-CB 3.83Å; E147-I197 HydrophobicContact CB-CG2 3.52Å; E147-I197 HydrophobicContact CG-CG2 3.98Å; E147-S199 PolarHBondContact OE1-N 2.81Å; E147-S199 VanDerWaalsContact OE1-N 3.14Å
148W92.6Very high90.9Very high10 Ų1061 Ų614%0.03830%0.299CS..EExtended strand (participates in β ladder)trans-78.2132.9172.4-67.6101.9000110.5R108 C110 L115 I125 A158 F160 W174 S199R108-W148 PolarHBondContact O-NE1 2.87Å; R108-W148 VanDerWaalsContact O-NE1 3.09Å; C110-W148 HydrophobicContact CB-CB 4.05Å; C110-W148 HydrophobicContact CB-CD2 3.71Å; C110-W148 HydrophobicContact CB-CE3 4.39Å; C110-W148 HydrophobicContact CB-CG 3.53Å; L115-W148 HydrophobicContact CB-CH2 4.5Å; L115-W148 HydrophobicContact CB-CZ2 3.58Å; L115-W148 HydrophobicContact CD2-CD2 4.43Å; L115-W148 HydrophobicContact CD2-CZ2 4.41Å; L115-W148 HydrophobicContact CG-CZ2 4.45Å; I125-W148 HydrophobicContact CG2-CH2 4.46Å; W148-A158 HydrophobicContact CE3-CB 4.43Å; W148-A158 HydrophobicContact CZ3-CB 3.82Å; W148-F160 HydrophobicContact CD2-CB 4.29Å; W148-F160 HydrophobicContact CE3-CB 3.79Å; W148-F160 HydrophobicContact CE3-CD1 4.33Å; W148-F160 HydrophobicContact CE3-CG 4.47Å; W148-F160 HydrophobicContact CH2-CD1 4.39Å; W148-F160 HydrophobicContact CZ3-CB 4.15Å; W148-F160 AromaticContact CZ3-CD1 3.82Å; W148-F160 HydrophobicContact CZ3-CD1 3.82Å; W148-F160 HydrophobicContact CZ3-CG 4.35Å; W148-W174 HydrophobicContact CH2-CE3 4.04Å; W148-W174 HydrophobicContact CH2-CZ3 4.01Å; W148-W174 HydrophobicContact CZ3-CE3 4.24Å; W148-S199 WeakPolarHBondContact O-CB 3.49Å; W148-S199 PolarHBondContact O-OG 3.02Å
149I89.3Confident90.9Very high6 Ų652.7 Ų52.73%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-91.8-49.1170.1-70.1166.7000109.9V159 V161 I171 F212 A226I149-V159 HydrophobicContact CB-CB 4.15Å; I149-V159 HydrophobicContact CB-CG1 4.06Å; I149-V159 HydrophobicContact CD1-CG1 3.78Å; I149-V159 HydrophobicContact CG1-CG1 4.47Å; I149-V159 HydrophobicContact CG2-CG1 4.42Å; I149-V159 PolarHBondContact N-O 3.1Å; I149-V161 HydrophobicContact CD1-CG2 3.16Å; I149-V161 HydrophobicContact CG1-CG2 3.72Å; I149-I171 HydrophobicContact CD1-CG2 4.07Å; I149-F212 HydrophobicContact CD1-CD1 4.31Å; I149-A226 HydrophobicContact CD1-CB 3.89Å; I149-A226 HydrophobicContact CG1-CB 4.35Å; I149-A226 HydrophobicContact CG2-CB 3.96Å
150S87.7Confident91Very high29 Ų2951.1 Ų51.120%0.20325%0.252CS..EExtended strand (participates in β ladder)trans-156155.4-176630000112.2A158 V159S150-A158 WeakPolarHBondContact O-CA 3.23Å; S150-V159 PolarHBondContact N-O 2.66Å; S150-V159 VanDerWaalsContact N-O 3.14Å; S150-V159 PolarHBondContact O-N 2.9Å
151L87.9Confident91.3Very high37 Ų3741.9 Ų41.919%0.19421%0.209CC..EExtended strand (participates in β ladder)trans-139107.2170.1173.964.6000107.5C110 D111 Y113 Q153 A158 L176C110-L151 HydrophobicContact CB-CD2 4.45Å; C110-L151 VanDerWaalsContact SG-CB 3.59Å; D111-L151 HydrophobicContact CB-CD2 3.61Å; Y113-L151 HydrophobicContact CD2-CD1 4.07Å; Y113-L151 HydrophobicContact CD2-CD2 3.89Å; Y113-L151 HydrophobicContact CE2-CD1 4Å; Y113-L151 HydrophobicContact CE2-CD2 4.19Å; L151-Q153 HydrophobicContact CG-CG 4.45Å; L151-A158 HydrophobicContact CD1-CB 3.78Å; L151-L176 HydrophobicContact CD1-CD1 4.36Å; L151-L176 HydrophobicContact CD1-CD2 4.01Å
152D85.9Confident91.5Very high34 Ų3437.2 Ų37.218%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-106.394.7176.9-171.4-16.7000109.6T154 K155 N156 E157D152-T154 PolarHBondContact O-N 2.78Å; D152-T154 WeakPolarHBondContact OD1-CA 3.32Å; D152-T154 WeakPolarHBondContact OD1-CB 3.5Å; D152-T154 PolarHBondContact OD1-N 2.83Å; D152-T154 PolarHBondContact OD1-OG1 3.47Å; D152-K155 HydrophobicContact CB-CB 4.33Å; D152-K155 PolarHBondContact O-N 2.92Å; D152-K155 PolarHBondContact OD1-N 2.77Å; D152-K155 VanDerWaalsContact OD2-CD 3.22Å; D152-K155 WeakPolarHBondContact OD2-CD 3.1Å; D152-K155 WeakPolarHBondContact OD2-CE 3.25Å; D152-K155 WeakPolarHBondContact OD2-CG 3.43Å; D152-K155 IonicContact OD2-NZ 2.98Å; D152-N156 PolarHBondContact O-N 2.71Å; D152-E157 HydrophobicContact CB-CG 4.08Å; D152-E157 PolarHBondContact N-O 2.9Å; D152-E157 PolarHBondContact O-N 2.78Å; D152-E157 VanDerWaalsContact O-N 3.08Å
153Q83.3Confident91.6Very high112 Ų11233.6 Ų33.652%0.52317%0.173SC..THydrogen-bonded Turntrans-64.4-22.3176.3-67.4-173.7-9.400113D111 L151 N156D111-Q153 PolarHBondContact OD2-NE2 3.12Å; L151-Q153 HydrophobicContact CG-CG 4.45Å; Q153-N156 PolarHBondContact O-OD1 3Å
154T84.6Confident91.6Very high127 Ų12733.6 Ų33.678%0.77917%0.173SC*.THydrogen-bonded Turntrans-75.9-32.3-179.770.50000111.8D152D152-T154 PolarHBondContact O-N 2.78Å; D152-T154 WeakPolarHBondContact OD1-CA 3.32Å; D152-T154 WeakPolarHBondContact OD1-CB 3.5Å; D152-T154 PolarHBondContact OD1-N 2.83Å; D152-T154 PolarHBondContact OD1-OG1 3.47Å
155K85.4Confident91.6Very high135 Ų13534.2 Ų34.259%0.58718%0.176SC*.THydrogen-bonded Turntrans-95.4-5174.9-67.2179.7-169.2164.40113.7D152 E157D152-K155 HydrophobicContact CB-CB 4.33Å; D152-K155 PolarHBondContact O-N 2.92Å; D152-K155 PolarHBondContact OD1-N 2.77Å; D152-K155 VanDerWaalsContact OD2-CD 3.22Å; D152-K155 WeakPolarHBondContact OD2-CD 3.1Å; D152-K155 WeakPolarHBondContact OD2-CE 3.25Å; D152-K155 WeakPolarHBondContact OD2-CG 3.43Å; D152-K155 IonicContact OD2-NZ 2.98Å; K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 HydrophobicContact CB-CG 3.86Å; K155-E157 HydrophobicContact CD-CG 4.45Å; K155-E157 WeakPolarHBondContact CD-OE1 3.48Å; K155-E157 IonicContact NZ-OE1 2.94Å; K155-E157 PolarHBondContact O-N 2.68Å
156N89.6Confident91.5Very high79 Ų7936.1 Ų36.142%0.42219%0.185SC..THydrogen-bonded Turntrans53.543.6-171.5-70.5-38.6000112.1D152 Q153 L176D152-N156 PolarHBondContact O-N 2.71Å; Q153-N156 PolarHBondContact O-OD1 3Å; N156-L176 HydrophobicContact CB-CB 4.09Å; N156-L176 WeakPolarHBondContact O-CB 2.87Å; N156-L176 PolarHBondContact O-N 2.89Å
157E90.4Very high91.5Very high35 Ų3539.7 Ų39.716%0.16420%0.202CC..EExtended strand (participates in β ladder)trans-128.9149176.468.8-176.1174.500112.1D152 K155 H173 W174 L176D152-E157 HydrophobicContact CB-CG 4.08Å; D152-E157 PolarHBondContact N-O 2.9Å; D152-E157 PolarHBondContact O-N 2.78Å; D152-E157 VanDerWaalsContact O-N 3.08Å; K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 HydrophobicContact CB-CG 3.86Å; K155-E157 HydrophobicContact CD-CG 4.45Å; K155-E157 WeakPolarHBondContact CD-OE1 3.48Å; K155-E157 IonicContact NZ-OE1 2.94Å; K155-E157 PolarHBondContact O-N 2.68Å; E157-H173 IonicContact OE2-CD2 3.05Å; E157-H173 IonicContact OE2-NE2 3.15Å; E157-H173 PolarHBondContact OE2-NE2 2.99Å; E157-W174 CarbonylContact C-O 3.57Å; E157-W174 WeakPolarHBondContact CA-O 3.39Å; E157-L176 VanDerWaalsContact C-CD1 3.49Å
158A91.5Very high91.4Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-134.6151.2170.600000110.3W148 S150 L151 W174 L176W148-A158 HydrophobicContact CE3-CB 4.43Å; W148-A158 HydrophobicContact CZ3-CB 3.82Å; S150-A158 WeakPolarHBondContact O-CA 3.23Å; L151-A158 HydrophobicContact CD1-CB 3.78Å; A158-W174 HydrophobicContact CB-CB 4.45Å; A158-W174 HydrophobicContact CB-CE3 3.89Å; A158-W174 PolarHBondContact N-O 2.86Å; A158-W174 PolarHBondContact O-N 2.86Å; A158-L176 HydrophobicContact CB-CD1 3.8Å
159V92.1Very high91.6Very high1 Ų138.1 Ų38.11%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-128.4132.3177.5-174.20000108.3I149 S150 I171 W172 I228I149-V159 HydrophobicContact CB-CB 4.15Å; I149-V159 HydrophobicContact CB-CG1 4.06Å; I149-V159 HydrophobicContact CD1-CG1 3.78Å; I149-V159 HydrophobicContact CG1-CG1 4.47Å; I149-V159 HydrophobicContact CG2-CG1 4.42Å; I149-V159 PolarHBondContact N-O 3.1Å; S150-V159 PolarHBondContact N-O 2.66Å; S150-V159 VanDerWaalsContact N-O 3.14Å; S150-V159 PolarHBondContact O-N 2.9Å; V159-I171 HydrophobicContact CG1-CG2 3.7Å; V159-W172 VanDerWaalsContact CA-O 3.31Å; V159-W172 WeakPolarHBondContact CA-O 3.2Å; V159-W172 WeakPolarHBondContact CG1-O 3.41Å; V159-I228 HydrophobicContact CG2-CD1 3.88Å; V159-I228 HydrophobicContact CG2-CG1 3.83Å
160F94.1Very high91.8Very high0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-142164.5176.163.3-93.1000110.8L115 L123 I125 E147 W148 T162 W172 W174 V181L115-F160 HydrophobicContact CD1-CD2 4.22Å; L115-F160 HydrophobicContact CD1-CE2 4.24Å; L115-F160 HydrophobicContact CD2-CB 3.7Å; L115-F160 HydrophobicContact CD2-CD2 3.69Å; L115-F160 HydrophobicContact CD2-CE2 4.48Å; L115-F160 HydrophobicContact CD2-CG 3.75Å; L123-F160 HydrophobicContact CD2-CE2 3.49Å; L123-F160 VanDerWaalsContact CD2-CE2 3.49Å; L123-F160 HydrophobicContact CD2-CZ 3.82Å; I125-F160 HydrophobicContact CD1-CE1 3.8Å; I125-F160 HydrophobicContact CD1-CZ 4.21Å; E147-F160 CarbonylContact O-C 3.5Å; E147-F160 VanDerWaalsContact O-CA 3.26Å; E147-F160 WeakPolarHBondContact O-CA 3.45Å; E147-F160 WeakPolarHBondContact O-CB 3.44Å; W148-F160 HydrophobicContact CD2-CB 4.29Å; W148-F160 HydrophobicContact CE3-CB 3.79Å; W148-F160 HydrophobicContact CE3-CD1 4.33Å; W148-F160 HydrophobicContact CE3-CG 4.47Å; W148-F160 HydrophobicContact CH2-CD1 4.39Å; W148-F160 HydrophobicContact CZ3-CB 4.15Å; W148-F160 AromaticContact CZ3-CD1 3.82Å; W148-F160 HydrophobicContact CZ3-CD1 3.82Å; W148-F160 HydrophobicContact CZ3-CG 4.35Å; F160-T162 HydrophobicContact CD2-CG2 4.22Å; F160-T162 HydrophobicContact CE2-CG2 4.07Å; F160-W172 HydrophobicContact CD1-CB 4.22Å; F160-W172 HydrophobicContact CD2-CB 3.88Å; F160-W172 AromaticContact CD2-CD1 3.75Å; F160-W172 HydrophobicContact CD2-CG 4.06Å; F160-W172 HydrophobicContact CE1-CB 3.8Å; F160-W172 HydrophobicContact CE2-CB 3.4Å; F160-W172 AromaticContact CE2-CD1 3.37Å; F160-W172 HydrophobicContact CE2-CD2 4.35Å; F160-W172 AromaticContact CE2-CG 3.41Å; F160-W172 HydrophobicContact CE2-CG 3.41Å; F160-W172 VanDerWaalsContact CE2-CG 3.41Å; F160-W172 HydrophobicContact CG-CB 4.26Å; F160-W172 HydrophobicContact CZ-CB 3.37Å; F160-W172 AromaticContact CZ-CG 3.77Å; F160-W172 HydrophobicContact CZ-CG 3.77Å; F160-W172 PolarHBondContact N-O 3.12Å; F160-W172 VanDerWaalsContact N-O 3.11Å; F160-W172 PolarHBondContact O-N 3.1Å; F160-W174 HydrophobicContact CE1-CB 4.12Å; F160-V181 HydrophobicContact CE1-CG1 4.38Å; F160-V181 HydrophobicContact CZ-CG1 4Å
161V95.3Very high92.1Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-121.6140.4179.1-170.40000109.2V146 E147 I149 A169 Q170 I171 I197 F212V146-V161 CarbonylContact C-O 3.58Å; V146-V161 WeakPolarHBondContact CA-O 3.23Å; E147-V161 PolarHBondContact N-O 3.26Å; E147-V161 PolarHBondContact O-N 3.18Å; I149-V161 HydrophobicContact CD1-CG2 3.16Å; I149-V161 HydrophobicContact CG1-CG2 3.72Å; V161-A169 HydrophobicContact CG1-CB 3.86Å; V161-Q170 CarbonylContact C-O 3.54Å; V161-Q170 VanDerWaalsContact CA-O 3.24Å; V161-Q170 WeakPolarHBondContact CA-O 3.45Å; V161-Q170 WeakPolarHBondContact CG1-O 3.15Å; V161-I171 HydrophobicContact CG2-CG1 4.31Å; V161-I197 HydrophobicContact CB-CD1 4.14Å; V161-I197 HydrophobicContact CB-CG2 4.29Å; V161-I197 HydrophobicContact CG1-CD1 3.76Å; V161-I197 HydrophobicContact CG1-CG2 4.42Å; V161-F212 HydrophobicContact CG1-CD2 4.47Å; V161-F212 HydrophobicContact CG1-CE2 3.92Å; V161-F212 HydrophobicContact CG1-CZ 4.2Å; V161-F212 HydrophobicContact CG2-CD1 4.4Å; V161-F212 HydrophobicContact CG2-CD2 4.4Å; V161-F212 HydrophobicContact CG2-CE1 4.34Å; V161-F212 HydrophobicContact CG2-CE2 4.33Å; V161-F212 HydrophobicContact CG2-CG 4.42Å; V161-F212 HydrophobicContact CG2-CZ 4.3Å
162T97Very high92.4Very high5 Ų537 Ų373%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-112.5147.7167.262.90000109.7L123 L139 V146 F160 A169 Q170 W172L123-T162 HydrophobicContact CD1-CG2 3.65Å; L123-T162 HydrophobicContact CD2-CG2 3.99Å; L123-T162 HydrophobicContact CG-CG2 4.45Å; L139-T162 HydrophobicContact CD1-CG2 4.47Å; V146-T162 HydrophobicContact CG1-CG2 4.19Å; F160-T162 HydrophobicContact CD2-CG2 4.22Å; F160-T162 HydrophobicContact CE2-CG2 4.07Å; T162-A169 CarbonylContact O-C 3.47Å; T162-A169 VanDerWaalsContact O-CA 3.22Å; T162-A169 WeakPolarHBondContact O-CA 3.21Å; T162-Q170 PolarHBondContact N-O 2.78Å; T162-Q170 PolarHBondContact O-N 3.41Å; T162-W172 PolarHBondContact OG1-NE1 3.2Å
163G96.7Very high92.7Very high2 Ų237.1 Ų37.12%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-141.8143175.100000110.2K144 C145K144-G163 PolarHBondContact N-O 3.35Å; C145-G163 PolarHBondContact N-O 2.93Å; C145-G163 PolarHBondContact O-N 3.47Å
164G95.4Very high93.3Very high2 Ų231.8 Ų31.82%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-169.3-152.6-173.100000115.6K142 D166 Q167 T193 V194K142-G164 WeakPolarHBondContact O-CA 3.24Å; G164-D166 VanDerWaalsContact C-N 3.26Å; G164-D166 PolarHBondContact O-N 2.58Å; G164-Q167 PolarHBondContact O-N 3.15Å; G164-T193 WeakPolarHBondContact O-CA 3.36Å; G164-V194 PolarHBondContact O-N 3.33Å
165F96.3Very high93.7Very high68 Ų6827.9 Ų27.930%0.29813%0.134SC..THydrogen-bonded Turntrans-75-15.9-171.9-79.3-106.8000113.3Y119 E141 K142 K144 Q167 T193Y119-F165 AromaticContact CE2-CE2 3.64Å; Y119-F165 HydrophobicContact CE2-CE2 3.64Å; Y119-F165 AromaticContact CE2-CZ 3.86Å; Y119-F165 HydrophobicContact CE2-CZ 3.86Å; Y119-F165 AromaticContact CZ-CE2 3.99Å; Y119-F165 AromaticContact CZ-CZ 3.78Å; Y119-F165 WeakPolarHBondContact OH-CZ 3.46Å; E141-F165 HydrophobicContact CB-CB 4.49Å; K142-F165 HydrophobicContact CB-CB 4.35Å; K142-F165 HydrophobicContact CB-CD2 3.66Å; K142-F165 HydrophobicContact CB-CE2 4.26Å; K142-F165 HydrophobicContact CB-CG 4.13Å; K142-F165 HydrophobicContact CD-CD2 4.44Å; K142-F165 HydrophobicContact CG-CD2 4.48Å; K142-F165 PolarHBondContact O-N 3.26Å; K142-F165 VanDerWaalsContact O-N 3.11Å; K144-F165 HydrophobicContact CB-CE2 4.32Å; F165-Q167 PolarHBondContact O-N 3.15Å; F165-Q167 VanDerWaalsContact O-N 3.15Å; F165-T193 HydrophobicContact CD1-CG2 4.49Å; F165-T193 HydrophobicContact CD2-CG2 3.89Å; F165-T193 HydrophobicContact CE2-CG2 3.99Å; F165-T193 HydrophobicContact CG-CG2 4.16Å; F165-T193 HydrophobicContact CZ-CG2 4.32Å
166D94.3Very high93.9Very high47 Ų4722.6 Ų22.625%0.25111%0.112SC..THydrogen-bonded Turntrans-69.5-2171.273-17.6000113.6E141 G164 T168 Q170E141-D166 HydrophobicContact CB-CB 4.03Å; E141-D166 HydrophobicContact CG-CB 4.27Å; G164-D166 VanDerWaalsContact C-N 3.26Å; G164-D166 PolarHBondContact O-N 2.58Å; D166-T168 VanDerWaalsContact CG-OG1 3.32Å; D166-T168 WeakPolarHBondContact O-CG2 3.25Å; D166-T168 PolarHBondContact O-N 3.47Å; D166-T168 PolarHBondContact OD1-N 3.39Å; D166-T168 PolarHBondContact OD1-OG1 3.32Å; D166-T168 PolarHBondContact OD2-OG1 3.35Å; D166-Q170 PolarHBondContact OD2-NE2 3.31Å
167Q96.1Very high94Very high77 Ų7722.9 Ų22.936%0.3612%0.12SC..SBendtrans65.215.9-180-43.7175-11.200113.1G164 F165 S191G164-Q167 PolarHBondContact O-N 3.15Å; F165-Q167 PolarHBondContact O-N 3.15Å; F165-Q167 VanDerWaalsContact O-N 3.15Å; Q167-S191 PolarHBondContact NE2-O 2.99Å; Q167-S191 PolarHBondContact OE1-O 2.95Å
168T94.9Very high94Very high3 Ų323.8 Ų23.82%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-118.9160.8179.385.40000111.7D166 Q170 V186 C187 R188 V194D166-T168 VanDerWaalsContact CG-OG1 3.32Å; D166-T168 WeakPolarHBondContact O-CG2 3.25Å; D166-T168 PolarHBondContact O-N 3.47Å; D166-T168 PolarHBondContact OD1-N 3.39Å; D166-T168 PolarHBondContact OD1-OG1 3.32Å; D166-T168 PolarHBondContact OD2-OG1 3.35Å; T168-Q170 WeakPolarHBondContact OG1-CG 3.45Å; T168-V186 HydrophobicContact CG2-CG1 3.92Å; T168-C187 WeakPolarHBondContact CB-O 3.29Å; T168-R188 HydrophobicContact CG2-CG 4.01Å; T168-V194 WeakPolarHBondContact O-CG2 3.23Å
169A95.2Very high93.9Very high1 Ų127 Ų271%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-109126.316100000108.1V161 T162 C187 F212 T214V161-A169 HydrophobicContact CG1-CB 3.86Å; T162-A169 CarbonylContact O-C 3.47Å; T162-A169 VanDerWaalsContact O-CA 3.22Å; T162-A169 WeakPolarHBondContact O-CA 3.21Å; A169-C187 HydrophobicContact CB-CB 4.07Å; A169-C187 PolarHBondContact N-O 3.07Å; A169-C187 WeakPolarHBondContact O-CA 3.46Å; A169-C187 WeakPolarHBondContact O-CB 3.23Å; A169-C187 PolarHBondContact O-N 2.86Å; A169-F212 HydrophobicContact CB-CE2 4.09Å; A169-F212 HydrophobicContact CB-CZ 4.47Å; A169-T214 HydrophobicContact CB-CG2 3.78Å
170Q94.3Very high93.9Very high32 Ų3232.8 Ų32.815%0.1517%0.174CC..EExtended strand (participates in β ladder)trans-109.2127.9-177.8-56.9-171.713.900109.2V161 T162 D166 T168 W172 V186V161-Q170 CarbonylContact C-O 3.54Å; V161-Q170 VanDerWaalsContact CA-O 3.24Å; V161-Q170 WeakPolarHBondContact CA-O 3.45Å; V161-Q170 WeakPolarHBondContact CG1-O 3.15Å; T162-Q170 PolarHBondContact N-O 2.78Å; T162-Q170 PolarHBondContact O-N 3.41Å; D166-Q170 PolarHBondContact OD2-NE2 3.31Å; T168-Q170 WeakPolarHBondContact OG1-CG 3.45Å; Q170-W172 HydrophobicContact CB-CZ2 4.05Å; Q170-W172 PolarHBondContact O-NE1 2.64Å; Q170-V186 HydrophobicContact CG-CG1 4.4Å; Q170-V186 HydrophobicContact CG-CG2 4.46Å
171I93.6Very high93.8Very high0 Ų033.8 Ų33.80%018%0.181CC..EExtended strand (participates in β ladder)trans-95.3129.1178-47.5179.8000108.2I149 V159 V161 I184 A185 F212 R253I149-I171 HydrophobicContact CD1-CG2 4.07Å; V159-I171 HydrophobicContact CG1-CG2 3.7Å; V161-I171 HydrophobicContact CG2-CG1 4.31Å; I171-I184 HydrophobicContact CB-CD1 4.36Å; I171-I184 HydrophobicContact CB-CG1 3.9Å; I171-I184 HydrophobicContact CG2-CD1 3.69Å; I171-I184 HydrophobicContact CG2-CG1 3.74Å; I171-I184 WeakPolarHBondContact O-CG1 3.25Å; I171-I184 PolarHBondContact O-N 2.66Å; I171-A185 HydrophobicContact CB-CB 4.37Å; I171-A185 HydrophobicContact CD1-CB 4.11Å; I171-A185 HydrophobicContact CG1-CB 4.34Å; I171-A185 PolarHBondContact N-O 3.36Å; I171-F212 HydrophobicContact CD1-CE1 3.7Å; I171-F212 HydrophobicContact CD1-CZ 4.15Å; I171-F212 HydrophobicContact CG1-CE1 4.14Å; I171-F212 HydrophobicContact CG1-CZ 4.2Å; I171-R253 VanDerWaalsContact CD1-NH1 3.34Å
172W94.3Very high93.7Very high16 Ų1638 Ų386%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-118.2132.8-176.5-56.890.5000109.8M137 L139 V159 F160 T162 Q170 V181 N182 C183M137-W172 HydrophobicContact CE-CE3 3.81Å; M137-W172 HydrophobicContact CE-CH2 3.94Å; M137-W172 HydrophobicContact CE-CZ3 3.41Å; M137-W172 VanDerWaalsContact CE-CZ3 3.41Å; L139-W172 HydrophobicContact CD1-CZ2 4.09Å; L139-W172 HydrophobicContact CD2-CH2 3.49Å; L139-W172 VanDerWaalsContact CD2-CH2 3.49Å; L139-W172 HydrophobicContact CD2-CZ2 3.45Å; L139-W172 VanDerWaalsContact CD2-CZ2 3.45Å; L139-W172 HydrophobicContact CG-CZ2 4.47Å; V159-W172 VanDerWaalsContact CA-O 3.31Å; V159-W172 WeakPolarHBondContact CA-O 3.2Å; V159-W172 WeakPolarHBondContact CG1-O 3.41Å; F160-W172 HydrophobicContact CD1-CB 4.22Å; F160-W172 HydrophobicContact CD2-CB 3.88Å; F160-W172 AromaticContact CD2-CD1 3.75Å; F160-W172 HydrophobicContact CD2-CG 4.06Å; F160-W172 HydrophobicContact CE1-CB 3.8Å; F160-W172 HydrophobicContact CE2-CB 3.4Å; F160-W172 AromaticContact CE2-CD1 3.37Å; F160-W172 HydrophobicContact CE2-CD2 4.35Å; F160-W172 AromaticContact CE2-CG 3.41Å; F160-W172 HydrophobicContact CE2-CG 3.41Å; F160-W172 VanDerWaalsContact CE2-CG 3.41Å; F160-W172 HydrophobicContact CG-CB 4.26Å; F160-W172 HydrophobicContact CZ-CB 3.37Å; F160-W172 AromaticContact CZ-CG 3.77Å; F160-W172 HydrophobicContact CZ-CG 3.77Å; F160-W172 PolarHBondContact N-O 3.12Å; F160-W172 VanDerWaalsContact N-O 3.11Å; F160-W172 PolarHBondContact O-N 3.1Å; T162-W172 PolarHBondContact OG1-NE1 3.2Å; Q170-W172 HydrophobicContact CB-CZ2 4.05Å; Q170-W172 PolarHBondContact O-NE1 2.64Å; W172-V181 HydrophobicContact CB-CG1 4.08Å; W172-V181 HydrophobicContact CD2-CG1 4.4Å; W172-V181 HydrophobicContact CE3-CG1 3.8Å; W172-N182 WeakPolarHBondContact CA-O 3.37Å; W172-C183 HydrophobicContact CD2-CB 4.34Å; W172-C183 HydrophobicContact CE3-CB 3.69Å; W172-C183 HydrophobicContact CH2-CB 3.88Å; W172-C183 HydrophobicContact CZ2-CB 4.49Å; W172-C183 HydrophobicContact CZ3-CB 3.45Å; W172-C183 VanDerWaalsContact CZ3-CB 3.45Å
173H93Very high93.4Very high37 Ų3739.2 Ų39.217%0.17121%0.212CC..EExtended strand (participates in β ladder)trans-100.5128.9167176.4-96.4000108.3E157 V181 N182 I184E157-H173 IonicContact OE2-CD2 3.05Å; E157-H173 IonicContact OE2-NE2 3.15Å; E157-H173 PolarHBondContact OE2-NE2 2.99Å; H173-V181 WeakPolarHBondContact O-CA 3.29Å; H173-N182 PolarHBondContact N-O 3.36Å; H173-N182 PolarHBondContact O-N 2.93Å; H173-I184 HydrophobicContact CB-CD1 4.42Å; H173-I184 HydrophobicContact CB-CG2 3.6Å
174W94.3Very high93.1Very high1 Ų140.4 Ų40.40%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-117.2118.9176.2176.428.9000109.5Y113 I125 I134 W148 E157 A158 F160 L176 V181Y113-W174 AromaticContact CD1-CH2 3.65Å; Y113-W174 HydrophobicContact CD1-CH2 3.65Å; Y113-W174 HydrophobicContact CD1-CZ3 4Å; Y113-W174 HydrophobicContact CD2-CZ3 4.3Å; Y113-W174 AromaticContact CE1-CH2 3.68Å; Y113-W174 HydrophobicContact CE1-CH2 3.68Å; Y113-W174 HydrophobicContact CE1-CZ3 4.32Å; Y113-W174 HydrophobicContact CG-CH2 4.12Å; Y113-W174 AromaticContact CG-CZ3 3.98Å; Y113-W174 HydrophobicContact CG-CZ3 3.98Å; I125-W174 HydrophobicContact CD1-CD2 3.8Å; I125-W174 HydrophobicContact CD1-CE3 3.69Å; I125-W174 HydrophobicContact CD1-CG 4.27Å; I125-W174 HydrophobicContact CD1-CZ3 4.14Å; I125-W174 HydrophobicContact CG2-CE3 4.25Å; I125-W174 HydrophobicContact CG2-CH2 3.62Å; I125-W174 HydrophobicContact CG2-CZ2 4.28Å; I125-W174 HydrophobicContact CG2-CZ3 3.6Å; I134-W174 HydrophobicContact CD1-CH2 4.21Å; I134-W174 HydrophobicContact CD1-CZ2 4.49Å; I134-W174 HydrophobicContact CG2-CZ2 3.89Å; W148-W174 HydrophobicContact CH2-CE3 4.04Å; W148-W174 HydrophobicContact CH2-CZ3 4.01Å; W148-W174 HydrophobicContact CZ3-CE3 4.24Å; E157-W174 CarbonylContact C-O 3.57Å; E157-W174 WeakPolarHBondContact CA-O 3.39Å; A158-W174 HydrophobicContact CB-CB 4.45Å; A158-W174 HydrophobicContact CB-CE3 3.89Å; A158-W174 PolarHBondContact N-O 2.86Å; A158-W174 PolarHBondContact O-N 2.86Å; F160-W174 HydrophobicContact CE1-CB 4.12Å; W174-L176 HydrophobicContact CD2-CD1 4.1Å; W174-L176 HydrophobicContact CD2-CG 4.49Å; W174-L176 HydrophobicContact CE3-CD1 4.06Å; W174-L176 HydrophobicContact CE3-CG 4.48Å; W174-L176 HydrophobicContact CH2-CG 4.21Å; W174-L176 HydrophobicContact CZ2-CG 4.21Å; W174-L176 HydrophobicContact CZ3-CD1 4.33Å; W174-L176 HydrophobicContact CZ3-CG 4.34Å; W174-V181 HydrophobicContact CB-CG2 3.73Å; W174-V181 HydrophobicContact CG-CG2 3.65Å
175D92.9Very high92.9Very high44 Ų4440.3 Ų40.324%0.23522%0.216CC..EExtended strand (participates in β ladder)trans-86.2113169.1173.96.2000109.2S177 S178 N179 E180D175-S177 VanDerWaalsContact CG-OG 3.32Å; D175-S177 PolarHBondContact O-N 2.84Å; D175-S177 WeakPolarHBondContact OD1-CB 3.42Å; D175-S177 PolarHBondContact OD1-N 2.89Å; D175-S177 PolarHBondContact OD1-OG 2.86Å; D175-S177 PolarHBondContact OD2-OG 3.4Å; D175-S178 WeakPolarHBondContact CB-OG 3.46Å; D175-S178 WeakPolarHBondContact OD2-CB 3.42Å; D175-S178 PolarHBondContact OD2-OG 2.71Å; D175-N179 WeakPolarHBondContact O-CA 3.35Å; D175-N179 PolarHBondContact O-N 3.03Å; D175-E180 PolarHBondContact N-O 2.96Å
176L91.1Very high92.6Very high24 Ų2437.8 Ų37.813%0.12621%0.206CC..THydrogen-bonded Turntrans-68-21-178.8-79.169.3000112.3Y113 L151 N156 E157 A158 W174Y113-L176 HydrophobicContact CE2-CD2 3.8Å; Y113-L176 WeakPolarHBondContact OH-CD2 3.3Å; L151-L176 HydrophobicContact CD1-CD1 4.36Å; L151-L176 HydrophobicContact CD1-CD2 4.01Å; N156-L176 HydrophobicContact CB-CB 4.09Å; N156-L176 WeakPolarHBondContact O-CB 2.87Å; N156-L176 PolarHBondContact O-N 2.89Å; E157-L176 VanDerWaalsContact C-CD1 3.49Å; A158-L176 HydrophobicContact CB-CD1 3.8Å; W174-L176 HydrophobicContact CD2-CD1 4.1Å; W174-L176 HydrophobicContact CD2-CG 4.49Å; W174-L176 HydrophobicContact CE3-CD1 4.06Å; W174-L176 HydrophobicContact CE3-CG 4.48Å; W174-L176 HydrophobicContact CH2-CG 4.21Å; W174-L176 HydrophobicContact CZ2-CG 4.21Å; W174-L176 HydrophobicContact CZ3-CD1 4.33Å; W174-L176 HydrophobicContact CZ3-CG 4.34Å
177S90.3Very high92.6Very high86 Ų8635.6 Ų35.660%0.60120%0.195SC*.THydrogen-bonded Turntrans-81.7-39.1-177.472.50000112.5D175D175-S177 VanDerWaalsContact CG-OG 3.32Å; D175-S177 PolarHBondContact O-N 2.84Å; D175-S177 WeakPolarHBondContact OD1-CB 3.42Å; D175-S177 PolarHBondContact OD1-N 2.89Å; D175-S177 PolarHBondContact OD1-OG 2.86Å; D175-S177 PolarHBondContact OD2-OG 3.4Å
178S90.8Very high92.4Very high54 Ų5438.6 Ų38.638%0.37820%0.203SC..THydrogen-bonded Turntrans-97.1-16.9178.661.50000113.4D175 E180D175-S178 WeakPolarHBondContact CB-OG 3.46Å; D175-S178 WeakPolarHBondContact OD2-CB 3.42Å; D175-S178 PolarHBondContact OD2-OG 2.71Å; S178-E180 PolarHBondContact O-N 3.15Å; S178-E180 WeakPolarHBondContact OG-CB 3.29Å; S178-E180 PolarHBondContact OG-N 3.4Å
179N89.4Confident92.3Very high68 Ų6840.4 Ų40.436%0.36422%0.222SC..  trans57.821.8-165.2-66.9-39.8000114I134 D175I134-N179 WeakPolarHBondContact CG2-OD1 3.29Å; D175-N179 WeakPolarHBondContact O-CA 3.35Å; D175-N179 PolarHBondContact O-N 3.03Å
180E91.9Very high92.3Very high121 Ų12141 Ų4157%0.56523%0.225SC*.  trans-79.2135.9171.6-68.8-171171.700110.7D175 S178D175-E180 PolarHBondContact N-O 2.96Å; S178-E180 PolarHBondContact O-N 3.15Å; S178-E180 WeakPolarHBondContact OG-CB 3.29Å; S178-E180 PolarHBondContact OG-N 3.4Å
181V93.7Very high92.4Very high22 Ų2243.2 Ų43.213%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-121.9125.2174.9177.70000109.9L135 M137 F160 W172 H173 W174L135-V181 HydrophobicContact CD1-CG2 4.47Å; L135-V181 HydrophobicContact CD2-CB 3.86Å; L135-V181 HydrophobicContact CD2-CG2 3.15Å; L135-V181 HydrophobicContact CG-CG2 4.39Å; M137-V181 HydrophobicContact CE-CB 4.19Å; M137-V181 HydrophobicContact CE-CG1 3.8Å; M137-V181 HydrophobicContact SD-CB 3.81Å; M137-V181 HydrophobicContact SD-CG1 3.54Å; M137-V181 VanDerWaalsContact SD-CG1 3.54Å; M137-V181 HydrophobicContact SD-CG2 4.39Å; F160-V181 HydrophobicContact CE1-CG1 4.38Å; F160-V181 HydrophobicContact CZ-CG1 4Å; W172-V181 HydrophobicContact CB-CG1 4.08Å; W172-V181 HydrophobicContact CD2-CG1 4.4Å; W172-V181 HydrophobicContact CE3-CG1 3.8Å; H173-V181 WeakPolarHBondContact O-CA 3.29Å; W174-V181 HydrophobicContact CB-CG2 3.73Å; W174-V181 HydrophobicContact CG-CG2 3.65Å
182N91.9Very high92.6Very high87 Ų8747.4 Ų47.447%0.46526%0.263SS..EExtended strand (participates in β ladder)trans-122.8130.9-177.1-68.4-60.9000110.1W172 H173 I184W172-N182 WeakPolarHBondContact CA-O 3.37Å; H173-N182 PolarHBondContact N-O 3.36Å; H173-N182 PolarHBondContact O-N 2.93Å; N182-I184 PolarHBondContact O-N 3.06Å
183C91.9Very high92.8Very high32 Ų3247.2 Ų47.222%0.21626%0.264CS..EExtended strand (participates in β ladder)trans-70.4113.9168.6-167.60000108.6W172 T250W172-C183 HydrophobicContact CD2-CB 4.34Å; W172-C183 HydrophobicContact CE3-CB 3.69Å; W172-C183 HydrophobicContact CH2-CB 3.88Å; W172-C183 HydrophobicContact CZ2-CB 4.49Å; W172-C183 HydrophobicContact CZ3-CB 3.45Å; W172-C183 VanDerWaalsContact CZ3-CB 3.45Å; C183-T250 HydrophobicContact CB-CG2 4.14Å; C183-T250 WeakPolarHBondContact O-CG2 3.34Å
184I89.6Confident93Very high27 Ų2745.5 Ų45.514%0.13826%0.256CS..EExtended strand (participates in β ladder)trans-95-23.7-177.458166.8000112.9I171 H173 N182 I228 P251I171-I184 HydrophobicContact CB-CD1 4.36Å; I171-I184 HydrophobicContact CB-CG1 3.9Å; I171-I184 HydrophobicContact CG2-CD1 3.69Å; I171-I184 HydrophobicContact CG2-CG1 3.74Å; I171-I184 WeakPolarHBondContact O-CG1 3.25Å; I171-I184 PolarHBondContact O-N 2.66Å; H173-I184 HydrophobicContact CB-CD1 4.42Å; H173-I184 HydrophobicContact CB-CG2 3.6Å; N182-I184 PolarHBondContact O-N 3.06Å; I184-I228 HydrophobicContact CD1-CG2 4.27Å; I184-P251 VanDerWaalsContact O-CD 3.23Å; I184-P251 WeakPolarHBondContact O-CD 3.35Å; I184-P251 WeakPolarHBondContact O-CG 3.47Å
185A90.3Very high93.2Very high0 Ų046.6 Ų46.60%026%0.261CS..EExtended strand (participates in β ladder)trans-158.6145.9175.900000111.7I171 P251 R253I171-A185 HydrophobicContact CB-CB 4.37Å; I171-A185 HydrophobicContact CD1-CB 4.11Å; I171-A185 HydrophobicContact CG1-CB 4.34Å; I171-A185 PolarHBondContact N-O 3.36Å; A185-P251 CarbonylContact C-O 3.55Å; A185-P251 WeakPolarHBondContact CA-O 3.45Å; A185-R253 HydrophobicContact CB-CG 4.05Å
186V91.9Very high93.4Very high14 Ų1444.5 Ų44.59%0.08525%0.25CC..EExtended strand (participates in β ladder)trans-111111.3169.3-175.70000108.5T168 Q170 R188 T250 P251 T252 R253T168-V186 HydrophobicContact CG2-CG1 3.92Å; Q170-V186 HydrophobicContact CG-CG1 4.4Å; Q170-V186 HydrophobicContact CG-CG2 4.46Å; V186-R188 HydrophobicContact CG1-CG 3.93Å; V186-R188 PolarHBondContact O-N 2.65Å; V186-T250 HydrophobicContact CG2-CG2 3.85Å; V186-P251 PolarHBondContact N-O 3.3Å; V186-T252 VanDerWaalsContact O-CA 3.28Å; V186-T252 WeakPolarHBondContact O-CA 3.4Å; V186-R253 PolarHBondContact O-N 2.82Å
187C93.2Very high93.7Very high1 Ų143.6 Ų43.61%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-81.3109.6176.8-64.30000109.3T168 A169 W224T168-C187 WeakPolarHBondContact CB-O 3.29Å; A169-C187 HydrophobicContact CB-CB 4.07Å; A169-C187 PolarHBondContact N-O 3.07Å; A169-C187 WeakPolarHBondContact O-CA 3.46Å; A169-C187 WeakPolarHBondContact O-CB 3.23Å; A169-C187 PolarHBondContact O-N 2.86Å; C187-W224 HydrophobicContact CB-CD2 3.91Å; C187-W224 HydrophobicContact CB-CE3 3.55Å; C187-W224 HydrophobicContact CB-CH2 4.01Å; C187-W224 HydrophobicContact CB-CZ2 4.34Å; C187-W224 HydrophobicContact CB-CZ3 3.6Å
188R93Very high93.9Very high140 Ų14039.8 Ų39.853%0.52822%0.219SC..EExtended strand (participates in β ladder)trans-110.9135.6-179-66.6-172.3176-88-2.4110.3T168 V186 T252 R253T168-R188 HydrophobicContact CG2-CG 4.01Å; V186-R188 HydrophobicContact CG1-CG 3.93Å; V186-R188 PolarHBondContact O-N 2.65Å; R188-T252 HydrophobicContact CB-CG2 3.98Å; R188-T252 HydrophobicContact CG-CG2 4Å; R188-R253 PolarHBondContact N-O 3.09Å; R188-R253 VanDerWaalsContact N-O 3.08Å
189G91.2Very high93.9Very high41 Ų4137.8 Ų37.842%0.42321%0.205SC..  trans163.9-17.8175.800000115.3K222G189-K222 WeakPolarHBondContact O-CE 3.48Å; G189-K222 PolarHBondContact O-NZ 2.82Å
190H96.7Very high93.2Very high15 Ų1537.2 Ų37.27%0.06920%0.198CC..  trans-75.2151.7168.5-76.8-63.9000111V194 T214 S216 D218 T220H190-V194 HydrophobicContact CB-CG2 4.4Å; H190-T214 PolarHBondContact CD2-OG1 3.39Å; H190-T214 PolarHBondContact NE2-OG1 3.27Å; H190-S216 WeakPolarHBondContact CE1-CB 3.26Å; H190-S216 WeakPolarHBondContact ND1-CB 3.3Å; H190-D218 VanDerWaalsContact CA-OD2 3.24Å; H190-D218 WeakPolarHBondContact CA-OD2 3.25Å; H190-D218 WeakPolarHBondContact CB-OD2 3.2Å; H190-D218 IonicContact CE1-OD1 3.69Å; H190-D218 IonicContact CE1-OD2 2.97Å; H190-D218 IonicContact CG-OD2 3.78Å; H190-D218 IonicContact ND1-OD1 3.57Å; H190-D218 PolarHBondContact ND1-OD1 2.84Å; H190-D218 IonicContact ND1-OD2 3.57Å; H190-D218 PolarHBondContact ND1-OD2 3.1Å; H190-T220 PolarHBondContact CE1-OG1 2.96Å; H190-T220 PolarHBondContact ND1-OG1 3.47Å
191S96.3Very high91.8Very high78 Ų7836.1 Ų36.155%0.54520%0.195SC..SBendtrans-104.4-5.9177.357.90000113.6Q167 D218Q167-S191 PolarHBondContact NE2-O 2.99Å; Q167-S191 PolarHBondContact OE1-O 2.95Å; S191-D218 PolarHBondContact N-OD2 3.48Å; S191-D218 VanDerWaalsContact OG-CB 3.29Å; S191-D218 WeakPolarHBondContact OG-CB 3.25Å
192E97.5Very high89.7Confident87 Ų8737.4 Ų37.441%0.40721%0.205SC..SBendtrans-143.7179.6178.1-70.5-67.3173.900110.3V194 S216 W217 D218E192-V194 PolarHBondContact O-N 3.03Å; E192-S216 PolarHBondContact O-OG 3.34Å; E192-S216 VanDerWaalsContact O-OG 3.08Å; E192-W217 HydrophobicContact CB-CB 3.84Å; E192-W217 HydrophobicContact CB-CG 4.43Å; E192-D218 HydrophobicContact CB-CB 4.01Å; E192-D218 HydrophobicContact CG-CB 4.29Å
193T97.8Very high87.4Confident13 Ų1338.8 Ų38.88%0.0821%0.213CC..  trans-48133.4-177.2-56.10000113.2K144 G164 F165 M195 S216 W217K144-T193 HydrophobicContact CB-CG2 4.42Å; G164-T193 WeakPolarHBondContact O-CA 3.36Å; F165-T193 HydrophobicContact CD1-CG2 4.49Å; F165-T193 HydrophobicContact CD2-CG2 3.89Å; F165-T193 HydrophobicContact CE2-CG2 3.99Å; F165-T193 HydrophobicContact CG-CG2 4.16Å; F165-T193 HydrophobicContact CZ-CG2 4.32Å; T193-M195 HydrophobicContact CG2-SD 3.82Å; T193-M195 PolarHBondContact O-N 2.91Å; T193-S216 VanDerWaalsContact O-CA 3.25Å; T193-S216 WeakPolarHBondContact O-CA 3.47Å; T193-S216 WeakPolarHBondContact O-CB 3.3Å; T193-S216 PolarHBondContact O-OG 2.9Å; T193-W217 PolarHBondContact O-N 2.83Å
194V98.1Very high84.8Confident0 Ų045.6 Ų45.60%025%0.247CC..EExtended strand (participates in β ladder)trans-79.5110.9169.5-179.60000108.3G164 T168 H190 E192 I197 T214G164-V194 PolarHBondContact O-N 3.33Å; T168-V194 WeakPolarHBondContact O-CG2 3.23Å; H190-V194 HydrophobicContact CB-CG2 4.4Å; E192-V194 PolarHBondContact O-N 3.03Å; V194-I197 HydrophobicContact CG1-CG1 4.26Å; V194-T214 HydrophobicContact CG1-CG2 4.19Å
195M97.8Very high82.4Confident24 Ų2448.7 Ų48.712%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-90.4-31.3-170-71.9-61.8-64.200113.2K144 T193 G215 W217 V266K144-M195 HydrophobicContact CD-CE 4.34Å; K144-M195 HydrophobicContact CD-SD 4.41Å; K144-M195 HydrophobicContact CG-CE 4.41Å; K144-M195 HydrophobicContact CG-SD 4Å; T193-M195 HydrophobicContact CG2-SD 3.82Å; T193-M195 PolarHBondContact O-N 2.91Å; M195-G215 PolarHBondContact N-O 3.33Å; M195-W217 HydrophobicContact CE-CE3 4.47Å; M195-W217 HydrophobicContact CG-CB 4.28Å; M195-W217 HydrophobicContact SD-CE3 4.02Å; M195-V266 WeakPolarHBondContact CB-O 3.25Å
196T97.9Very high80.3Confident0 Ų051.9 Ų51.90%029%0.288CS..EExtended strand (participates in β ladder)trans-150.3148.8-175.5-173.60000111T214 G215 V266 R268 I269T196-T214 WeakPolarHBondContact O-CA 3.05Å; T196-G215 PolarHBondContact N-O 3.16Å; T196-G215 PolarHBondContact O-N 2.81Å; T196-V266 HydrophobicContact CG2-CG1 4.44Å; T196-R268 WeakPolarHBondContact OG1-CD 3.29Å; T196-I269 HydrophobicContact CG2-CB 4.1Å; T196-I269 HydrophobicContact CG2-CD1 3.96Å; T196-I269 HydrophobicContact CG2-CG1 3.72Å; T196-I269 PolarHBondContact OG1-N 2.81Å
197I97.1Very high77.8Confident5 Ų557.9 Ų57.93%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-129144.9171.9-60.8156.9000107.6E147 V161 V194 F212 A213 T214E147-I197 HydrophobicContact CB-CB 3.83Å; E147-I197 HydrophobicContact CB-CG2 3.52Å; E147-I197 HydrophobicContact CG-CG2 3.98Å; V161-I197 HydrophobicContact CB-CD1 4.14Å; V161-I197 HydrophobicContact CB-CG2 4.29Å; V161-I197 HydrophobicContact CG1-CD1 3.76Å; V161-I197 HydrophobicContact CG1-CG2 4.42Å; V194-I197 HydrophobicContact CG1-CG1 4.26Å; I197-F212 HydrophobicContact CG2-CD2 3.96Å; I197-A213 WeakPolarHBondContact CA-O 3.29Å; I197-T214 HydrophobicContact CG1-CG2 4.14Å
198A94.2Very high75.7Confident6 Ų661.7 Ų61.75%0.0535%0.345CS..EExtended strand (participates in β ladder)trans-139127.2169.400000109.9F212 A213 I269 W271A198-F212 WeakPolarHBondContact O-CA 3.45Å; A198-A213 PolarHBondContact N-O 2.63Å; A198-A213 PolarHBondContact O-N 2.72Å; A198-I269 HydrophobicContact CB-CB 4.33Å; A198-I269 HydrophobicContact CB-CG2 3.96Å; A198-I269 WeakPolarHBondContact CB-O 3.11Å; A198-W271 PolarHBondContact O-NE1 3.05Å
199S89.7Confident73.9Confident12 Ų1259.3 Ų59.38%0.08435%0.348CS..EExtended strand (participates in β ladder)trans-101.1152.6175.185.50000110.5E147 W148 W271E147-S199 PolarHBondContact OE1-N 2.81Å; E147-S199 VanDerWaalsContact OE1-N 3.14Å; W148-S199 WeakPolarHBondContact O-CB 3.49Å; W148-S199 PolarHBondContact O-OG 3.02Å; S199-W271 VanDerWaalsContact C-CD1 3.45Å; S199-W271 VanDerWaalsContact O-CD1 3.28Å
200R76Confident73Confident56 Ų5658.5 Ų58.521%0.21134%0.337CS..  trans-93.3104.5162.3-176.8171.2170.6178.3-7.4106.6S202 D206 H211 W271 G286 N287R200-S202 PolarHBondContact O-N 3.12Å; R200-D206 IonicContact CZ-OD2 3.75Å; R200-D206 IonicContact NE-OD2 3.41Å; R200-D206 IonicContact NH2-OD2 3.68Å; R200-D206 PolarHBondContact NH2-OD2 2.96Å; R200-H211 PolarHBondContact N-O 3.36Å; R200-W271 HydrophobicContact CB-CG 4.4Å; R200-G286 VanDerWaalsContact NH1-C 3.29Å; R200-G286 PolarHBondContact NH1-O 3.2Å; R200-N287 PolarHBondContact NH1-OD1 2.81Å
201L61.5Low72.5Confident98 Ų9859.4 Ų59.451%0.51334%0.341SS..  trans-55.9115.7172.5-99.7102.1000108.4N203L201-N203 PolarHBondContact O-N 3.22Å
202S49.4Very low72.3Confident50 Ų5055.7 Ų55.735%0.3532%0.315SS..  trans-70.9101.8170.564.80000107.4R200 N204R200-S202 PolarHBondContact O-N 3.12Å; S202-N204 PolarHBondContact O-N 3.21Å
203N45.3Very low72.2Confident116 Ų11651.5 Ų51.562%0.6230%0.296SS*.  trans-60.4133.6154.1-75-25.4000105.9L201 S205 D206L201-N203 PolarHBondContact O-N 3.22Å; N203-S205 PolarHBondContact O-N 3.1Å; N203-D206 PolarHBondContact O-N 2.61Å
204N36.4Very low72.2Confident174 Ų17450.9 Ų50.993%0.9329%0.292SS*.THydrogen-bonded Turntrans-48.4-9.5-175.9-77.1-24.5000115.7S202S202-N204 PolarHBondContact O-N 3.21Å
205S39.8Very low72.2Confident92 Ų9250.9 Ų50.964%0.64329%0.292SS*.THydrogen-bonded Turntrans-85.9-20.617557.30000115.7N203 T207N203-S205 PolarHBondContact O-N 3.1Å; S205-T207 PolarHBondContact O-N 3.42Å
206D45.5Very low72.2Confident68 Ų6849.8 Ų49.836%0.36429%0.287SS..  trans-80.2107.8-176.9-8711000109.4R200 N203 N208R200-D206 IonicContact CZ-OD2 3.75Å; R200-D206 IonicContact NE-OD2 3.41Å; R200-D206 IonicContact NH2-OD2 3.68Å; R200-D206 PolarHBondContact NH2-OD2 2.96Å; N203-D206 PolarHBondContact O-N 2.61Å; D206-N208 PolarHBondContact O-N 2.85Å
207T39Very low72.2Confident140 Ų14055.1 Ų55.186%0.85931%0.307SS*.  trans-63.9-6175.3520000113.8S205S205-T207 PolarHBondContact O-N 3.42Å
208N49.5Very low72.3Confident80 Ų8056 Ų5643%0.42831%0.311SS..SBendtrans-82.4137.1-178.5-78.3-7.3000110.3D206 A210D206-N208 PolarHBondContact O-N 2.85Å; N208-A210 PolarHBondContact O-N 2.87Å
209P55.2Low72.4Confident91 Ų9157.7 Ų57.759%0.59132%0.321SS*.PPolyproline II helixtrans-58138.1176.523.6-32.3000110.2H211P209-H211 PolarHBondContact O-N 3.36Å
210A72.4Confident72.8Confident24 Ų2458.1 Ų58.120%0.19832%0.324CS..PPolyproline II helixtrans-56.8127.9177.400000109.6N208 A226N208-A210 PolarHBondContact O-N 2.87Å; A210-A226 HydrophobicContact CB-CB 3.76Å; A210-A226 WeakPolarHBondContact O-CA 3.2Å; A210-A226 WeakPolarHBondContact O-CB 3.22Å; A210-A226 PolarHBondContact O-N 3.24Å
211H85.4Confident73.8Confident33 Ų3355.5 Ų55.515%0.15331%0.314CS..EExtended strand (participates in β ladder)trans-123.6150.4176.5-64.3-33.2000108.9R200 P209 V223 W224 K307R200-H211 PolarHBondContact N-O 3.36Å; P209-H211 PolarHBondContact O-N 3.36Å; H211-V223 HydrophobicContact CB-CG1 4.34Å; H211-W224 WeakPolarHBondContact CA-O 3.49Å; H211-K307 PolarHBondContact NE2-NZ 3.44Å; H211-K307 VanDerWaalsContact NE2-NZ 3.1Å
212F92.6Very high75.4Confident0 Ų051.9 Ų51.90%029%0.294CS..EExtended strand (participates in β ladder)trans-133.1158.5167.173.1-85.8000109.6I149 V161 A169 I171 I197 A198 T214 V223 W224 A226I149-F212 HydrophobicContact CD1-CD1 4.31Å; V161-F212 HydrophobicContact CG1-CD2 4.47Å; V161-F212 HydrophobicContact CG1-CE2 3.92Å; V161-F212 HydrophobicContact CG1-CZ 4.2Å; V161-F212 HydrophobicContact CG2-CD1 4.4Å; V161-F212 HydrophobicContact CG2-CD2 4.4Å; V161-F212 HydrophobicContact CG2-CE1 4.34Å; V161-F212 HydrophobicContact CG2-CE2 4.33Å; V161-F212 HydrophobicContact CG2-CG 4.42Å; V161-F212 HydrophobicContact CG2-CZ 4.3Å; A169-F212 HydrophobicContact CB-CE2 4.09Å; A169-F212 HydrophobicContact CB-CZ 4.47Å; I171-F212 HydrophobicContact CD1-CE1 3.7Å; I171-F212 HydrophobicContact CD1-CZ 4.15Å; I171-F212 HydrophobicContact CG1-CE1 4.14Å; I171-F212 HydrophobicContact CG1-CZ 4.2Å; I197-F212 HydrophobicContact CG2-CD2 3.96Å; A198-F212 WeakPolarHBondContact O-CA 3.45Å; F212-T214 HydrophobicContact CD2-CG2 4.03Å; F212-T214 HydrophobicContact CE2-CG2 3.68Å; F212-V223 WeakPolarHBondContact O-CA 3.41Å; F212-W224 HydrophobicContact CD1-CB 3.93Å; F212-W224 HydrophobicContact CD2-CB 4.4Å; F212-W224 AromaticContact CD2-CD1 3.75Å; F212-W224 HydrophobicContact CD2-CG 4.37Å; F212-W224 HydrophobicContact CE1-CB 3.46Å; F212-W224 VanDerWaalsContact CE1-CB 3.46Å; F212-W224 HydrophobicContact CE1-CG 4.15Å; F212-W224 HydrophobicContact CE2-CB 3.99Å; F212-W224 AromaticContact CE2-CD1 3.38Å; F212-W224 AromaticContact CE2-CG 3.78Å; F212-W224 HydrophobicContact CE2-CG 3.78Å; F212-W224 HydrophobicContact CG-CB 4.39Å; F212-W224 HydrophobicContact CZ-CB 3.5Å; F212-W224 AromaticContact CZ-CD1 3.77Å; F212-W224 AromaticContact CZ-CG 3.66Å; F212-W224 HydrophobicContact CZ-CG 3.66Å; F212-W224 PolarHBondContact N-O 2.65Å; F212-W224 PolarHBondContact O-N 2.71Å; F212-A226 HydrophobicContact CD1-CB 3.75Å; F212-A226 HydrophobicContact CE1-CB 4.46Å
213A95.3Very high77.5Confident0 Ų049.5 Ų49.50%028%0.278CS..EExtended strand (participates in β ladder)trans-119.6149.7177.500000110.3I197 A198 I221 K222 V223 I269 W271 L289I197-A213 WeakPolarHBondContact CA-O 3.29Å; A198-A213 PolarHBondContact N-O 2.63Å; A198-A213 PolarHBondContact O-N 2.72Å; A213-I221 HydrophobicContact CB-CG2 4.44Å; A213-K222 CarbonylContact C-O 3.58Å; A213-K222 VanDerWaalsContact CA-O 3.24Å; A213-K222 WeakPolarHBondContact CA-O 3.43Å; A213-V223 HydrophobicContact CB-CG2 4.15Å; A213-I269 HydrophobicContact CB-CG2 4.18Å; A213-W271 HydrophobicContact CB-CZ2 3.9Å; A213-L289 HydrophobicContact CB-CD1 3.99Å; A213-L289 HydrophobicContact CB-CD2 3.85Å
214T98.2Very high79.7Confident0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-124.7139.5175.357.30000109.6A169 H190 V194 T196 I197 F212 I221 K222 W224 I269A169-T214 HydrophobicContact CB-CG2 3.78Å; H190-T214 PolarHBondContact CD2-OG1 3.39Å; H190-T214 PolarHBondContact NE2-OG1 3.27Å; V194-T214 HydrophobicContact CG1-CG2 4.19Å; T196-T214 WeakPolarHBondContact O-CA 3.05Å; I197-T214 HydrophobicContact CG1-CG2 4.14Å; F212-T214 HydrophobicContact CD2-CG2 4.03Å; F212-T214 HydrophobicContact CE2-CG2 3.68Å; T214-I221 CarbonylContact O-C 3.54Å; T214-I221 WeakPolarHBondContact O-CA 3.44Å; T214-I221 WeakPolarHBondContact O-CG2 3.47Å; T214-K222 PolarHBondContact N-O 3.27Å; T214-K222 PolarHBondContact O-N 3.49Å; T214-K222 PolarHBondContact OG1-O 3.34Å; T214-W224 VanDerWaalsContact CG2-NE1 3.28Å; T214-W224 PolarHBondContact OG1-NE1 2.94Å; T214-I269 VanDerWaalsContact C-CD1 3.41Å
215G98Very high82.2Confident0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-114.5141.9170.800000109.4M195 T196 I269M195-G215 PolarHBondContact N-O 3.33Å; T196-G215 PolarHBondContact N-O 3.16Å; T196-G215 PolarHBondContact O-N 2.81Å; G215-I269 VanDerWaalsContact CA-CD1 3.42Å
216S98.4Very high84.3Confident0 Ų032.5 Ų32.50%018%0.181CC..EExtended strand (participates in β ladder)trans-130.4161.6-173.8172.80000112H190 E192 T193 D218 T219 T220 V266H190-S216 WeakPolarHBondContact CE1-CB 3.26Å; H190-S216 WeakPolarHBondContact ND1-CB 3.3Å; E192-S216 PolarHBondContact O-OG 3.34Å; E192-S216 VanDerWaalsContact O-OG 3.08Å; T193-S216 VanDerWaalsContact O-CA 3.25Å; T193-S216 WeakPolarHBondContact O-CA 3.47Å; T193-S216 WeakPolarHBondContact O-CB 3.3Å; T193-S216 PolarHBondContact O-OG 2.9Å; S216-D218 VanDerWaalsContact CB-OD1 3.29Å; S216-D218 WeakPolarHBondContact CB-OD1 3.31Å; S216-D218 PolarHBondContact O-N 3.04Å; S216-D218 VanDerWaalsContact OG-CG 3.26Å; S216-D218 PolarHBondContact OG-N 2.98Å; S216-D218 PolarHBondContact OG-OD1 2.8Å; S216-T219 PolarHBondContact O-N 2.98Å; S216-T220 PolarHBondContact N-O 3.46Å; S216-V266 PolarHBondContact O-N 2.59Å
217W98.1Very high85.8Confident112 Ų11231 Ų3142%0.42418%0.182SC..THydrogen-bonded Turntrans-58.8-22.6165.7-166.4-70.2000112.5E192 T193 M195 T219 W294E192-W217 HydrophobicContact CB-CB 3.84Å; E192-W217 HydrophobicContact CB-CG 4.43Å; T193-W217 PolarHBondContact O-N 2.83Å; M195-W217 HydrophobicContact CE-CE3 4.47Å; M195-W217 HydrophobicContact CG-CB 4.28Å; M195-W217 HydrophobicContact SD-CE3 4.02Å; W217-T219 PolarHBondContact O-N 3.01Å; W217-W294 AromaticContact CH2-CH2 3.95Å; W217-W294 HydrophobicContact CH2-CH2 3.95Å; W217-W294 AromaticContact CH2-CZ3 3.57Å; W217-W294 HydrophobicContact CH2-CZ3 3.57Å; W217-W294 HydrophobicContact CZ2-CZ3 4.25Å; W217-W294 AromaticContact CZ3-CH2 3.93Å; W217-W294 HydrophobicContact CZ3-CH2 3.93Å; W217-W294 AromaticContact CZ3-CZ3 3.9Å; W217-W294 HydrophobicContact CZ3-CZ3 3.9Å
218D97.8Very high87.4Confident23 Ų2327.4 Ų27.412%0.12316%0.157CC..THydrogen-bonded Turntrans-70.28.5175.772.616.1000114.6H190 S191 E192 S216 T220H190-D218 VanDerWaalsContact CA-OD2 3.24Å; H190-D218 WeakPolarHBondContact CA-OD2 3.25Å; H190-D218 WeakPolarHBondContact CB-OD2 3.2Å; H190-D218 IonicContact CE1-OD1 3.69Å; H190-D218 IonicContact CE1-OD2 2.97Å; H190-D218 IonicContact CG-OD2 3.78Å; H190-D218 IonicContact ND1-OD1 3.57Å; H190-D218 PolarHBondContact ND1-OD1 2.84Å; H190-D218 IonicContact ND1-OD2 3.57Å; H190-D218 PolarHBondContact ND1-OD2 3.1Å; S191-D218 PolarHBondContact N-OD2 3.48Å; S191-D218 VanDerWaalsContact OG-CB 3.29Å; S191-D218 WeakPolarHBondContact OG-CB 3.25Å; E192-D218 HydrophobicContact CB-CB 4.01Å; E192-D218 HydrophobicContact CG-CB 4.29Å; S216-D218 VanDerWaalsContact CB-OD1 3.29Å; S216-D218 WeakPolarHBondContact CB-OD1 3.31Å; S216-D218 PolarHBondContact O-N 3.04Å; S216-D218 VanDerWaalsContact OG-CG 3.26Å; S216-D218 PolarHBondContact OG-N 2.98Å; S216-D218 PolarHBondContact OG-OD1 2.8Å; D218-T220 PolarHBondContact O-N 2.88Å; D218-T220 WeakPolarHBondContact OD1-CA 3.32Å; D218-T220 VanDerWaalsContact OD1-CB 3.31Å; D218-T220 WeakPolarHBondContact OD1-CB 3.27Å; D218-T220 PolarHBondContact OD1-N 3.41Å; D218-T220 PolarHBondContact OD1-OG1 2.97Å; D218-T220 PolarHBondContact OD2-OG1 2.9Å
219T98Very high88.4Confident42 Ų4230.4 Ų30.426%0.25817%0.168SC..SBendtrans71.40.9-18078.20000115S216 W217S216-T219 PolarHBondContact O-N 2.98Å; W217-T219 PolarHBondContact O-N 3.01Å
220T97.2Very high88.8Confident22 Ų2229.8 Ų29.814%0.13516%0.164CC..EExtended strand (participates in β ladder)trans-106157.7-177.175.60000112.6H190 S216 D218 T258H190-T220 PolarHBondContact CE1-OG1 2.96Å; H190-T220 PolarHBondContact ND1-OG1 3.47Å; S216-T220 PolarHBondContact N-O 3.46Å; D218-T220 PolarHBondContact O-N 2.88Å; D218-T220 WeakPolarHBondContact OD1-CA 3.32Å; D218-T220 VanDerWaalsContact OD1-CB 3.31Å; D218-T220 WeakPolarHBondContact OD1-CB 3.27Å; D218-T220 PolarHBondContact OD1-N 3.41Å; D218-T220 PolarHBondContact OD1-OG1 2.97Å; D218-T220 PolarHBondContact OD2-OG1 2.9Å; T220-T258 HydrophobicContact CG2-CG2 4.24Å
221I97.1Very high88.1Confident1 Ų129.8 Ų29.81%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-116.2136.3170.1-56.4157.1000107.6A213 T214 T258 L259 V266 I269 L289 S291 W301A213-I221 HydrophobicContact CB-CG2 4.44Å; T214-I221 CarbonylContact O-C 3.54Å; T214-I221 WeakPolarHBondContact O-CA 3.44Å; T214-I221 WeakPolarHBondContact O-CG2 3.47Å; I221-T258 CarbonylContact O-C 3.45Å; I221-T258 WeakPolarHBondContact O-CA 3.42Å; I221-L259 HydrophobicContact CB-CB 4.1Å; I221-L259 HydrophobicContact CB-CD1 4.33Å; I221-L259 HydrophobicContact CD1-CB 4.46Å; I221-L259 HydrophobicContact CG2-CD1 4Å; I221-L259 PolarHBondContact N-O 2.74Å; I221-L259 PolarHBondContact O-N 2.78Å; I221-V266 HydrophobicContact CG1-CG1 4.1Å; I221-V266 HydrophobicContact CG1-CG2 4.08Å; I221-I269 HydrophobicContact CB-CD1 4.21Å; I221-I269 HydrophobicContact CD1-CD1 4.5Å; I221-I269 HydrophobicContact CG1-CD1 3.86Å; I221-I269 HydrophobicContact CG2-CD1 3.55Å; I221-L289 HydrophobicContact CG2-CD2 3.64Å; I221-S291 WeakPolarHBondContact CD1-OG 3.49Å; I221-W301 HydrophobicContact CD1-CZ2 4.16Å
222K95.4Very high86.3Confident21 Ų2130.2 Ų30.29%0.09117%0.165CC..EExtended strand (participates in β ladder)trans-124139.1177.1-70.3175.4-166.5-73.40109.8G189 A213 T214 W224 P255 T258G189-K222 WeakPolarHBondContact O-CE 3.48Å; G189-K222 PolarHBondContact O-NZ 2.82Å; A213-K222 CarbonylContact C-O 3.58Å; A213-K222 VanDerWaalsContact CA-O 3.24Å; A213-K222 WeakPolarHBondContact CA-O 3.43Å; T214-K222 PolarHBondContact N-O 3.27Å; T214-K222 PolarHBondContact O-N 3.49Å; T214-K222 PolarHBondContact OG1-O 3.34Å; K222-W224 HydrophobicContact CB-CH2 4.33Å; K222-W224 HydrophobicContact CB-CZ2 3.43Å; K222-W224 VanDerWaalsContact CB-CZ2 3.43Å; K222-W224 HydrophobicContact CD-CH2 3.96Å; K222-W224 HydrophobicContact CD-CZ2 3.67Å; K222-W224 HydrophobicContact CG-CZ2 4.16Å; K222-W224 PolarHBondContact O-NE1 2.8Å; K222-W224 VanDerWaalsContact O-NE1 3.16Å; K222-P255 HydrophobicContact CB-CB 3.95Å; K222-P255 HydrophobicContact CD-CB 4.11Å; K222-P255 HydrophobicContact CD-CG 4.17Å; K222-P255 HydrophobicContact CG-CB 4.06Å; K222-T258 HydrophobicContact CG-CG2 4.21Å; K222-T258 PolarHBondContact NZ-OG1 2.99Å
223V93.5Very high84.4Confident1 Ų132.6 Ų32.61%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-110136.5176.8-177.60000109H211 F212 A213 L256 F257 W271H211-V223 HydrophobicContact CB-CG1 4.34Å; F212-V223 WeakPolarHBondContact O-CA 3.41Å; A213-V223 HydrophobicContact CB-CG2 4.15Å; V223-L256 WeakPolarHBondContact O-CB 3.38Å; V223-L256 PolarHBondContact O-N 3.26Å; V223-F257 HydrophobicContact CB-CD1 4.35Å; V223-F257 HydrophobicContact CB-CD2 4.28Å; V223-F257 HydrophobicContact CB-CE1 3.75Å; V223-F257 HydrophobicContact CB-CE2 3.72Å; V223-F257 HydrophobicContact CB-CZ 3.41Å; V223-F257 VanDerWaalsContact CB-CZ 3.41Å; V223-F257 HydrophobicContact CG1-CE1 3.84Å; V223-F257 HydrophobicContact CG1-CE2 4.39Å; V223-F257 HydrophobicContact CG1-CZ 3.62Å; V223-F257 HydrophobicContact CG2-CD2 4.18Å; V223-F257 HydrophobicContact CG2-CE1 4.32Å; V223-F257 HydrophobicContact CG2-CE2 3.4Å; V223-F257 VanDerWaalsContact CG2-CE2 3.4Å; V223-F257 HydrophobicContact CG2-CZ 3.49Å; V223-F257 VanDerWaalsContact CG2-CZ 3.49Å; V223-F257 PolarHBondContact N-O 2.64Å; V223-W271 HydrophobicContact CG1-CH2 4.37Å
224W91.8Very high82Confident1 Ų134.2 Ų34.20%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-129.7155.7-168.3-46.588000111C187 H211 F212 T214 K222 I254 P255C187-W224 HydrophobicContact CB-CD2 3.91Å; C187-W224 HydrophobicContact CB-CE3 3.55Å; C187-W224 HydrophobicContact CB-CH2 4.01Å; C187-W224 HydrophobicContact CB-CZ2 4.34Å; C187-W224 HydrophobicContact CB-CZ3 3.6Å; H211-W224 WeakPolarHBondContact CA-O 3.49Å; F212-W224 HydrophobicContact CD1-CB 3.93Å; F212-W224 HydrophobicContact CD2-CB 4.4Å; F212-W224 AromaticContact CD2-CD1 3.75Å; F212-W224 HydrophobicContact CD2-CG 4.37Å; F212-W224 HydrophobicContact CE1-CB 3.46Å; F212-W224 VanDerWaalsContact CE1-CB 3.46Å; F212-W224 HydrophobicContact CE1-CG 4.15Å; F212-W224 HydrophobicContact CE2-CB 3.99Å; F212-W224 AromaticContact CE2-CD1 3.38Å; F212-W224 AromaticContact CE2-CG 3.78Å; F212-W224 HydrophobicContact CE2-CG 3.78Å; F212-W224 HydrophobicContact CG-CB 4.39Å; F212-W224 HydrophobicContact CZ-CB 3.5Å; F212-W224 AromaticContact CZ-CD1 3.77Å; F212-W224 AromaticContact CZ-CG 3.66Å; F212-W224 HydrophobicContact CZ-CG 3.66Å; F212-W224 PolarHBondContact N-O 2.65Å; F212-W224 PolarHBondContact O-N 2.71Å; T214-W224 VanDerWaalsContact CG2-NE1 3.28Å; T214-W224 PolarHBondContact OG1-NE1 2.94Å; K222-W224 HydrophobicContact CB-CH2 4.33Å; K222-W224 HydrophobicContact CB-CZ2 3.43Å; K222-W224 VanDerWaalsContact CB-CZ2 3.43Å; K222-W224 HydrophobicContact CD-CH2 3.96Å; K222-W224 HydrophobicContact CD-CZ2 3.67Å; K222-W224 HydrophobicContact CG-CZ2 4.16Å; K222-W224 PolarHBondContact O-NE1 2.8Å; K222-W224 VanDerWaalsContact O-NE1 3.16Å; W224-I254 VanDerWaalsContact CZ3-C 3.49Å; W224-P255 HydrophobicContact CD2-CB 4.4Å; W224-P255 HydrophobicContact CE3-CB 4.04Å; W224-P255 HydrophobicContact CH2-CB 3.99Å; W224-P255 HydrophobicContact CH2-CG 4.3Å; W224-P255 HydrophobicContact CZ2-CB 4.33Å; W224-P255 HydrophobicContact CZ3-CB 3.84Å; W224-P255 VanDerWaalsContact CZ3-CD 3.47Å; W224-P255 HydrophobicContact CZ3-CG 4.23Å
225S87.7Confident79.7Confident21 Ų2140.9 Ų40.915%0.14722%0.22CC..EExtended strand (participates in β ladder)trans-72.313216658.90000109.8E236 R253S225-E236 PolarHBondContact OG-OE1 3.21Å; S225-R253 PolarHBondContact O-NH1 3.24Å
226A84.3Confident77.3Confident3 Ų343.3 Ų43.33%0.02523%0.231CC..  trans-103.510.7179.100000112.9I149 A210 F212I149-A226 HydrophobicContact CD1-CB 3.89Å; I149-A226 HydrophobicContact CG1-CB 4.35Å; I149-A226 HydrophobicContact CG2-CB 3.96Å; A210-A226 HydrophobicContact CB-CB 3.76Å; A210-A226 WeakPolarHBondContact O-CA 3.2Å; A210-A226 WeakPolarHBondContact O-CB 3.22Å; A210-A226 PolarHBondContact O-N 3.24Å; F212-A226 HydrophobicContact CD1-CB 3.75Å; F212-A226 HydrophobicContact CE1-CB 4.46Å
227G77.8Confident75.1Confident36 Ų3645.6 Ų45.637%0.37125%0.245SC..  trans-59.3149.8-179.600000112.3R253G227-R253 VanDerWaalsContact O-CZ 3.27Å; G227-R253 PolarHBondContact O-NH1 3.06Å; G227-R253 PolarHBondContact O-NH2 3.32Å
228I72.8Confident72.9Confident65 Ų6543.9 Ų43.933%0.33326%0.262SS..SBendtrans-78.2-31.1179.3-59.2172.2000110.9V159 I184V159-I228 HydrophobicContact CG2-CD1 3.88Å; V159-I228 HydrophobicContact CG2-CG1 3.83Å; I184-I228 HydrophobicContact CD1-CG2 4.27Å
229E70.3Confident70.6Confident142 Ų14245.6 Ų45.666%0.66429%0.286SS*.SBendtrans-60.7131.5-177.1-64.2-169.317600110.4T231 R253E229-T231 PolarHBondContact O-N 3.28Å; E229-T231 PolarHBondContact O-OG1 3.1Å; E229-R253 PolarHBondContact O-NH2 3.11Å
230P62.3Low68.4Low78 Ų7848.6 Ų48.651%0.50630%0.299SS..  trans-72.171.6177.528.9-33.3000109.6D232 R244 P251P230-D232 PolarHBondContact O-N 3Å; P230-R244 PolarHBondContact O-NH2 2.86Å; P230-R244 VanDerWaalsContact O-NH2 3.16Å; P230-P251 HydrophobicContact CB-CG 3.73Å
231T58.2Low65.9Low24 Ų2451.2 Ų51.215%0.14732%0.323CS..  trans-56.6124.4174.829.80000109.4E229 E235 R253E229-T231 PolarHBondContact O-N 3.28Å; E229-T231 PolarHBondContact O-OG1 3.1Å; T231-E235 HydrophobicContact CG2-CB 4.49Å; T231-E235 HydrophobicContact CG2-CG 4.38Å; T231-E235 WeakPolarHBondContact CG2-OE2 3.27Å; T231-R253 PolarHBondContact OG1-NE 2.82Å; T231-R253 PolarHBondContact OG1-NH2 3.46Å
232D47.2Very low63.7Low43 Ų4356 Ų5623%0.2335%0.345CS..  trans-72.2157.3161.8-127.7-16000108P230 S234 E235 R244P230-D232 PolarHBondContact O-N 3Å; D232-S234 PolarHBondContact O-N 2.8Å; D232-S234 PolarHBondContact O-OG 3.01Å; D232-E235 PolarHBondContact O-N 3.14Å; D232-R244 VanDerWaalsContact CG-NE 3.32Å; D232-R244 WeakPolarHBondContact OD1-CG 3.48Å; D232-R244 IonicContact OD1-CZ 2.93Å; D232-R244 IonicContact OD1-NE 2.68Å; D232-R244 PolarHBondContact OD1-NE 3.13Å; D232-R244 IonicContact OD1-NH2 2.91Å; D232-R244 VanDerWaalsContact OD2-CG 3.31Å; D232-R244 WeakPolarHBondContact OD2-CG 3.35Å; D232-R244 IonicContact OD2-NE 3.56Å; D232-R244 PolarHBondContact OD2-NE 2.83Å
233L52.4Low61.6Low50 Ų5061.2 Ų61.226%0.26238%0.379SS..Hα-helixtrans-48.3-15.4173.1-67.7167000113E235 E236 T237 I254L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 3.05Å; L233-E236 PolarHBondContact O-N 3.03Å; L233-T237 HydrophobicContact CB-CG2 4.11Å; L233-T237 VanDerWaalsContact O-CB 3.24Å; L233-T237 WeakPolarHBondContact O-CB 3.46Å; L233-T237 WeakPolarHBondContact O-CG2 3.41Å; L233-T237 PolarHBondContact O-N 3.19Å; L233-T237 PolarHBondContact O-OG1 3.21Å; L233-I254 HydrophobicContact CD2-CB 4.43Å; L233-I254 HydrophobicContact CD2-CD1 4.25Å; L233-I254 HydrophobicContact CD2-CG1 3.99Å; L233-I254 HydrophobicContact CD2-CG2 3.73Å
234S46.3Very low59.6Low33 Ų3365 Ų6523%0.23139%0.393CS..Hα-helixtrans-55.1-37.8179.359.40000115.3D232 G239 I240D232-S234 PolarHBondContact O-N 2.8Å; D232-S234 PolarHBondContact O-OG 3.01Å; S234-G239 WeakPolarHBondContact O-CA 3.45Å; S234-G239 PolarHBondContact O-N 2.88Å; S234-I240 VanDerWaalsContact CA-O 3.28Å; S234-I240 WeakPolarHBondContact CA-O 3.46Å
235E48.2Very low57.6Low141 Ų14175.3 Ų75.366%0.65944%0.438SS*.Hα-helixtrans-77.1-40.7176.9-66.8-167.1167.700111.2T231 D232 L233 T237 G238T231-E235 HydrophobicContact CG2-CB 4.49Å; T231-E235 HydrophobicContact CG2-CG 4.38Å; T231-E235 WeakPolarHBondContact CG2-OE2 3.27Å; D232-E235 PolarHBondContact O-N 3.14Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 3.05Å; E235-T237 PolarHBondContact O-N 3.38Å; E235-G238 PolarHBondContact O-N 3.24Å
236E49.1Very low55.9Low51 Ų5176.3 Ų76.324%0.23845%0.445CS..Hα-helixtrans-76.9-20.5-177.3-63-176162.500113.1S225 L233 I254S225-E236 PolarHBondContact OG-OE1 3.21Å; L233-E236 PolarHBondContact O-N 3.03Å; E236-I254 HydrophobicContact CB-CD1 4.11Å; E236-I254 HydrophobicContact CB-CG1 4.06Å; E236-I254 WeakPolarHBondContact OE2-CG1 3.41Å; E236-I254 PolarHBondContact OE2-N 3.04Å
237T52.4Low54.5Low47 Ų4782.7 Ų82.729%0.28848%0.483SS..THydrogen-bonded Turntrans-9415.9176.957.30000113.8L233 E235 I240L233-T237 HydrophobicContact CB-CG2 4.11Å; L233-T237 VanDerWaalsContact O-CB 3.24Å; L233-T237 WeakPolarHBondContact O-CB 3.46Å; L233-T237 WeakPolarHBondContact O-CG2 3.41Å; L233-T237 PolarHBondContact O-N 3.19Å; L233-T237 PolarHBondContact O-OG1 3.21Å; E235-T237 PolarHBondContact O-N 3.38Å; T237-I240 PolarHBondContact OG1-O 3.35Å
238G50.7Low53.5Low76 Ų7686.1 Ų86.178%0.78450%0.502SS*.THydrogen-bonded Turntrans73.135.1177.600000113.8E235E235-G238 PolarHBondContact O-N 3.24Å
239G50.4Low53.5Low60 Ų6090.3 Ų90.362%0.61952%0.518SS*.SBendtrans90.28.1174.300000115.1S234 A241S234-G239 WeakPolarHBondContact O-CA 3.45Å; S234-G239 PolarHBondContact O-N 2.88Å; G239-A241 PolarHBondContact O-N 2.82Å
240I50.7Low54Low104 Ų10486.5 Ų86.553%0.53350%0.504SS..  trans-74.894.3171.8-57.2174.6000107.9S234 T237 H242S234-I240 VanDerWaalsContact CA-O 3.28Å; S234-I240 WeakPolarHBondContact CA-O 3.46Å; T237-I240 PolarHBondContact OG1-O 3.35Å; I240-H242 PolarHBondContact O-N 3.4Å
241A45.6Very low55.1Low78 Ų7883.4 Ų83.465%0.64548%0.484SS*.  trans-59.292.9175.800000111.1G239 V243G239-A241 PolarHBondContact O-N 2.82Å; A241-V243 PolarHBondContact O-N 2.86Å
242H51.5Low56.5Low101 Ų10185.2 Ų85.247%0.46850%0.495SS..  trans-77.5102.1166.8-83.4-69.2000108.3I240 R244I240-H242 PolarHBondContact O-N 3.4Å; H242-R244 PolarHBondContact O-N 2.82Å
243V50.4Low58.4Low131 Ų13183.2 Ų83.279%0.79448%0.484SS*.  trans-64.9116.3171-179.60000108.5A241 K245A241-V243 PolarHBondContact O-N 2.86Å; V243-K245 PolarHBondContact O-N 2.59Å
244R50.9Low60.1Low79 Ų7983.8 Ų83.830%0.29849%0.487SS..  trans-51.4125.6175.8-87.9171.8-165.8175.713.5111.6P230 D232 H242 S246P230-R244 PolarHBondContact O-NH2 2.86Å; P230-R244 VanDerWaalsContact O-NH2 3.16Å; D232-R244 VanDerWaalsContact CG-NE 3.32Å; D232-R244 WeakPolarHBondContact OD1-CG 3.48Å; D232-R244 IonicContact OD1-CZ 2.93Å; D232-R244 IonicContact OD1-NE 2.68Å; D232-R244 PolarHBondContact OD1-NE 3.13Å; D232-R244 IonicContact OD1-NH2 2.91Å; D232-R244 VanDerWaalsContact OD2-CG 3.31Å; D232-R244 WeakPolarHBondContact OD2-CG 3.35Å; D232-R244 IonicContact OD2-NE 3.56Å; D232-R244 PolarHBondContact OD2-NE 2.83Å; H242-R244 PolarHBondContact O-N 2.82Å; R244-S246 PolarHBondContact O-N 3.07Å
245K51.2Low62.2Low219 Ų21983.7 Ų83.795%0.95249%0.486SS*.SBendtrans-68.6-20.3173.1-69.1-178.8-179.6176.20113V243V243-K245 PolarHBondContact O-N 2.59Å
246S51.6Low64.2Low42 Ų4280.4 Ų80.429%0.29447%0.472SS..  trans-151.1129.6174.565.70000110.7R244 S248R244-S246 PolarHBondContact O-N 3.07Å; S246-S248 VanDerWaalsContact C-N 3.28Å
247T54.9Low66.1Low136 Ų13678.9 Ų78.983%0.83447%0.465SS*.THydrogen-bonded Turntrans-77.1-13.7173.147.90000113.3K249T247-K249 VanDerWaalsContact C-N 3.34Å; T247-K249 PolarHBondContact O-N 3.01Å
248S56.1Low68.1Low109 Ų10979.7 Ų79.776%0.76247%0.47SS*.THydrogen-bonded Turntrans-81.4-6.5-176.660.50000114.9S246S246-S248 VanDerWaalsContact C-N 3.28Å
249K73.2Confident70.2Confident153 Ų15376.2 Ų76.267%0.66543%0.433SS*.SBendtrans-102.6138.6-178.7-71.3-172.8177.6-1710110.5T247T247-K249 VanDerWaalsContact C-N 3.34Å; T247-K249 PolarHBondContact O-N 3.01Å
250T81.6Confident72.2Confident62 Ų6276.6 Ų76.638%0.3843%0.431SS..PPolyproline II helixtrans-54.1134.5173.1-46.40000110.6C183 V186C183-T250 HydrophobicContact CB-CG2 4.14Å; C183-T250 WeakPolarHBondContact O-CG2 3.34Å; V186-T250 HydrophobicContact CG2-CG2 3.85Å
251P84.8Confident74.1Confident13 Ų1373 Ų738%0.08442%0.42CS..PPolyproline II helixtrans-53.8141.9177.7-24.332.5000112.1I184 A185 V186 P230I184-P251 VanDerWaalsContact O-CD 3.23Å; I184-P251 WeakPolarHBondContact O-CD 3.35Å; I184-P251 WeakPolarHBondContact O-CG 3.47Å; A185-P251 CarbonylContact C-O 3.55Å; A185-P251 WeakPolarHBondContact CA-O 3.45Å; V186-P251 PolarHBondContact N-O 3.3Å; P230-P251 HydrophobicContact CB-CG 3.73Å
252T87Confident76.5Confident62 Ų6269.8 Ų69.838%0.3839%0.391SS..EExtended strand (participates in β ladder)trans-103130.6170.4-56.70000109.6V186 R188V186-T252 VanDerWaalsContact O-CA 3.28Å; V186-T252 WeakPolarHBondContact O-CA 3.4Å; R188-T252 HydrophobicContact CB-CG2 3.98Å; R188-T252 HydrophobicContact CG-CG2 4Å
253R87.9Confident78.7Confident1 Ų174.9 Ų74.90%0.00441%0.406CS..EExtended strand (participates in β ladder)trans-106.9146.2173.8-75.5-174.5178.6171.910.2111.3I171 A185 V186 R188 S225 G227 E229 T231I171-R253 VanDerWaalsContact CD1-NH1 3.34Å; A185-R253 HydrophobicContact CB-CG 4.05Å; V186-R253 PolarHBondContact O-N 2.82Å; R188-R253 PolarHBondContact N-O 3.09Å; R188-R253 VanDerWaalsContact N-O 3.08Å; S225-R253 PolarHBondContact O-NH1 3.24Å; G227-R253 VanDerWaalsContact O-CZ 3.27Å; G227-R253 PolarHBondContact O-NH1 3.06Å; G227-R253 PolarHBondContact O-NH2 3.32Å; E229-R253 PolarHBondContact O-NH2 3.11Å; T231-R253 PolarHBondContact OG1-NE 2.82Å; T231-R253 PolarHBondContact OG1-NH2 3.46Å
254I88.3Confident80.9Confident62 Ų6273.1 Ų73.132%0.31839%0.389SS..  trans-104.1156.3175.355.3167.3000110.1W224 L233 E236W224-I254 VanDerWaalsContact CZ3-C 3.49Å; L233-I254 HydrophobicContact CD2-CB 4.43Å; L233-I254 HydrophobicContact CD2-CD1 4.25Å; L233-I254 HydrophobicContact CD2-CG1 3.99Å; L233-I254 HydrophobicContact CD2-CG2 3.73Å; E236-I254 HydrophobicContact CB-CD1 4.11Å; E236-I254 HydrophobicContact CB-CG1 4.06Å; E236-I254 WeakPolarHBondContact OE2-CG1 3.41Å; E236-I254 PolarHBondContact OE2-N 3.04Å
255P90.9Very high83.1Confident31 Ų3169.3 Ų69.320%0.20138%0.375CS..  trans-67.6138.5177.128.7-35.8000110.1K222 W224 F257K222-P255 HydrophobicContact CB-CB 3.95Å; K222-P255 HydrophobicContact CD-CB 4.11Å; K222-P255 HydrophobicContact CD-CG 4.17Å; K222-P255 HydrophobicContact CG-CB 4.06Å; W224-P255 HydrophobicContact CD2-CB 4.4Å; W224-P255 HydrophobicContact CE3-CB 4.04Å; W224-P255 HydrophobicContact CH2-CB 3.99Å; W224-P255 HydrophobicContact CH2-CG 4.3Å; W224-P255 HydrophobicContact CZ2-CB 4.33Å; W224-P255 HydrophobicContact CZ3-CB 3.84Å; W224-P255 VanDerWaalsContact CZ3-CD 3.47Å; W224-P255 HydrophobicContact CZ3-CG 4.23Å; P255-F257 VanDerWaalsContact C-N 3.27Å; P255-F257 PolarHBondContact O-N 3.4Å
256L88.7Confident85.4Confident71 Ų7158.9 Ų58.937%0.37233%0.33SS..SBendtrans-62.3-40.4172.9-63.6175.6000110.6V223V223-L256 WeakPolarHBondContact O-CB 3.38Å; V223-L256 PolarHBondContact O-N 3.26Å
257F90Very high87.6Confident20 Ų2057.5 Ų57.59%0.08832%0.319CS..EExtended strand (participates in β ladder)trans-161.2163.1173.451.7-83.1000109.7V223 P255 L259 C303 A306 K307V223-F257 HydrophobicContact CB-CD1 4.35Å; V223-F257 HydrophobicContact CB-CD2 4.28Å; V223-F257 HydrophobicContact CB-CE1 3.75Å; V223-F257 HydrophobicContact CB-CE2 3.72Å; V223-F257 HydrophobicContact CB-CZ 3.41Å; V223-F257 VanDerWaalsContact CB-CZ 3.41Å; V223-F257 HydrophobicContact CG1-CE1 3.84Å; V223-F257 HydrophobicContact CG1-CE2 4.39Å; V223-F257 HydrophobicContact CG1-CZ 3.62Å; V223-F257 HydrophobicContact CG2-CD2 4.18Å; V223-F257 HydrophobicContact CG2-CE1 4.32Å; V223-F257 HydrophobicContact CG2-CE2 3.4Å; V223-F257 VanDerWaalsContact CG2-CE2 3.4Å; V223-F257 HydrophobicContact CG2-CZ 3.49Å; V223-F257 VanDerWaalsContact CG2-CZ 3.49Å; V223-F257 PolarHBondContact N-O 2.64Å; P255-F257 VanDerWaalsContact C-N 3.27Å; P255-F257 PolarHBondContact O-N 3.4Å; F257-L259 HydrophobicContact CD2-CD2 3.99Å; F257-L259 HydrophobicContact CD2-CG 4.27Å; F257-L259 HydrophobicContact CE2-CD2 4.04Å; F257-L259 HydrophobicContact CE2-CG 4.27Å; F257-C303 HydrophobicContact CE2-CB 4.21Å; F257-C303 HydrophobicContact CZ-CB 3.82Å; F257-A306 HydrophobicContact CD2-CB 3.66Å; F257-A306 HydrophobicContact CE2-CB 3.72Å; F257-A306 HydrophobicContact CG-CB 4.45Å; F257-K307 HydrophobicContact CD1-CG 3.51Å; F257-K307 HydrophobicContact CE1-CD 4.01Å; F257-K307 VanDerWaalsContact CE1-CE 3.45Å; F257-K307 HydrophobicContact CE1-CG 3.36Å; F257-K307 HydrophobicContact CG-CG 4.4Å; F257-K307 HydrophobicContact CZ-CG 4.11Å
258T93.2Very high89.6Confident63 Ų6352.5 Ų52.539%0.38729%0.285SS..EExtended strand (participates in β ladder)trans-118.2130.7177.1-60.40000109.1T220 I221 K222T220-T258 HydrophobicContact CG2-CG2 4.24Å; I221-T258 CarbonylContact O-C 3.45Å; I221-T258 WeakPolarHBondContact O-CA 3.42Å; K222-T258 HydrophobicContact CG-CG2 4.21Å; K222-T258 PolarHBondContact NZ-OG1 2.99Å
259L94.4Very high91.6Very high3 Ų347.5 Ų47.52%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-99.1121.5169.9-46.2164.1000107.4I221 F257 L289 W301 A306 A312I221-L259 HydrophobicContact CB-CB 4.1Å; I221-L259 HydrophobicContact CB-CD1 4.33Å; I221-L259 HydrophobicContact CD1-CB 4.46Å; I221-L259 HydrophobicContact CG2-CD1 4Å; I221-L259 PolarHBondContact N-O 2.74Å; I221-L259 PolarHBondContact O-N 2.78Å; F257-L259 HydrophobicContact CD2-CD2 3.99Å; F257-L259 HydrophobicContact CD2-CG 4.27Å; F257-L259 HydrophobicContact CE2-CD2 4.04Å; F257-L259 HydrophobicContact CE2-CG 4.27Å; L259-L289 HydrophobicContact CD1-CD2 3.93Å; L259-W301 HydrophobicContact CB-CD2 4.07Å; L259-W301 HydrophobicContact CB-CE3 4Å; L259-W301 HydrophobicContact CB-CZ3 4.25Å; L259-W301 HydrophobicContact CD1-CB 3.75Å; L259-W301 HydrophobicContact CD1-CD2 4.09Å; L259-W301 HydrophobicContact CD1-CG 3.72Å; L259-W301 HydrophobicContact CD2-CB 4.43Å; L259-W301 HydrophobicContact CD2-CE3 4.23Å; L259-W301 HydrophobicContact CG-CD2 4.47Å; L259-A306 HydrophobicContact CD2-CB 3.39Å; L259-A312 HydrophobicContact CD2-CB 3.65Å
260A92.7Very high92.6Very high69 Ų6940.7 Ų40.757%0.5722%0.222SC*.EExtended strand (participates in β ladder)trans-125138.5179.500000109.2
261G91.1Very high93Very high29 Ų2939.5 Ų39.530%0.29921%0.21SC..  trans168.2-22.2178.100000113.9R299G261-R299 PolarHBondContact O-NH2 3.19Å
262H96.5Very high93.2Very high10 Ų1039.1 Ų39.15%0.04621%0.207CC..  trans-66.7153.6167.2-76.1-63.6000111.6V266 S291 S293 D295 S297H262-V266 HydrophobicContact CB-CG2 4.25Å; H262-S291 PolarHBondContact CD2-OG 3.3Å; H262-S291 PolarHBondContact NE2-OG 3.46Å; H262-S293 WeakPolarHBondContact ND1-CB 3.22Å; H262-D295 WeakPolarHBondContact CA-OD2 3.48Å; H262-D295 IonicContact CE1-OD1 3.85Å; H262-D295 IonicContact CG-OD2 3.46Å; H262-D295 IonicContact ND1-OD1 3.31Å; H262-D295 PolarHBondContact ND1-OD1 3.07Å; H262-D295 IonicContact ND1-OD2 3.93Å; H262-D295 PolarHBondContact ND1-OD2 3.26Å; H262-S297 PolarHBondContact CE1-O 2.88Å; H262-S297 PolarHBondContact CE1-OG 2.87Å; H262-S297 PolarHBondContact ND1-OG 3.36Å
263R96.5Very high92.7Very high207 Ų20739.5 Ų39.578%0.78121%0.211SC*.SBendtrans-108-11.5-179.1-62.3-179.3-179.2170.61.4113.8D295R263-D295 HydrophobicContact CB-CB 3.99Å; R263-D295 PolarHBondContact N-OD2 3.06Å
264E97.6Very high92.2Very high94 Ų9440.1 Ų40.144%0.43922%0.215SC..SBendtrans-139.2178.5178.6-79.2-66.6175.700109.3V266 S293 W294 D295E264-V266 PolarHBondContact O-N 3.42Å; E264-S293 PolarHBondContact O-OG 3.14Å; E264-W294 HydrophobicContact CB-CB 4.03Å; E264-D295 HydrophobicContact CB-CB 4.02Å; E264-D295 HydrophobicContact CG-CB 4.42Å
265T97.9Very high91.6Very high0 Ų038.5 Ų38.50%021%0.208CC..  trans-46.6134.8-178.8179.70000113.1T267 S293 W294T265-T267 HydrophobicContact CG2-CG2 3.97Å; T265-T267 PolarHBondContact O-N 3.25Å; T265-S293 WeakPolarHBondContact O-CA 3.36Å; T265-S293 WeakPolarHBondContact O-CB 3.47Å; T265-S293 PolarHBondContact O-OG 2.77Å; T265-W294 HydrophobicContact CG2-CB 3.85Å; T265-W294 HydrophobicContact CG2-CD2 3.21Å; T265-W294 HydrophobicContact CG2-CE3 3.16Å; T265-W294 HydrophobicContact CG2-CG 3.54Å; T265-W294 HydrophobicContact CG2-CH2 4.3Å; T265-W294 HydrophobicContact CG2-CZ2 4.38Å; T265-W294 HydrophobicContact CG2-CZ3 3.74Å; T265-W294 PolarHBondContact O-N 2.8Å
266V98.4Very high90.7Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-82.4113.1170.2-178.30000107.9M195 T196 S216 I221 H262 E264 I269 I292M195-V266 WeakPolarHBondContact CB-O 3.25Å; T196-V266 HydrophobicContact CG2-CG1 4.44Å; S216-V266 PolarHBondContact O-N 2.59Å; I221-V266 HydrophobicContact CG1-CG1 4.1Å; I221-V266 HydrophobicContact CG1-CG2 4.08Å; H262-V266 HydrophobicContact CB-CG2 4.25Å; E264-V266 PolarHBondContact O-N 3.42Å; V266-I269 HydrophobicContact CG1-CD1 4.13Å; V266-I269 HydrophobicContact CG1-CG1 3.8Å; V266-I292 CarbonylContact C-O 3.53Å; V266-I292 WeakPolarHBondContact CA-O 3.46Å
267T97.7Very high89.9Confident13 Ų1335.3 Ų35.38%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-91-36.6-170.2490000113.7T265 I292 W294 L323T265-T267 HydrophobicContact CG2-CG2 3.97Å; T265-T267 PolarHBondContact O-N 3.25Å; T267-I292 PolarHBondContact N-O 3.34Å; T267-I292 WeakPolarHBondContact OG1-CD1 3.17Å; T267-I292 WeakPolarHBondContact OG1-CG1 3.3Å; T267-I292 PolarHBondContact OG1-O 3.04Å; T267-W294 HydrophobicContact CG2-CD2 4.27Å; T267-W294 HydrophobicContact CG2-CG 3.98Å; T267-W294 VanDerWaalsContact CG2-NE1 3.25Å; T267-L323 WeakPolarHBondContact CB-O 3.34Å; T267-L323 WeakPolarHBondContact CG2-O 3.44Å; T267-L323 PolarHBondContact OG1-O 3.48Å
268R97.8Very high88.9Confident30 Ų3041.8 Ų41.811%0.11323%0.227CC..EExtended strand (participates in β ladder)trans-146.4149.8173.7-17370.1116-146.5-13.5111T196 S291 I292 D325 A326 D411T196-R268 WeakPolarHBondContact OG1-CD 3.29Å; R268-S291 WeakPolarHBondContact O-CA 3.28Å; R268-I292 HydrophobicContact CB-CD1 3.83Å; R268-I292 HydrophobicContact CB-CG1 3.7Å; R268-I292 WeakPolarHBondContact O-CG1 3.41Å; R268-I292 PolarHBondContact O-N 3.29Å; R268-D325 WeakPolarHBondContact CD-OD1 3.35Å; R268-D325 WeakPolarHBondContact CG-OD1 3.39Å; R268-D325 IonicContact CZ-OD1 3.86Å; R268-D325 IonicContact CZ-OD2 3.67Å; R268-D325 IonicContact NE-OD1 2.78Å; R268-D325 PolarHBondContact NE-OD1 2.95Å; R268-D325 IonicContact NE-OD2 2.87Å; R268-D325 IonicContact NH2-OD1 3.75Å; R268-D325 PolarHBondContact NH2-OD1 2.72Å; R268-D325 IonicContact NH2-OD2 3.59Å; R268-D325 PolarHBondContact NH2-OD2 2.79Å; R268-A326 WeakPolarHBondContact CG-O 3.33Å; R268-D411 IonicContact CZ-OD1 2.76Å; R268-D411 IonicContact NH1-OD1 2.76Å; R268-D411 IonicContact NH2-OD1 3.47Å; R268-D411 PolarHBondContact NH2-OD1 2.84Å
269I96.9Very high87.7Confident4 Ų443.8 Ų43.82%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-128.3143171.7-66.4175.1000108.6T196 A198 A213 T214 G215 I221 V266 L289 L290T196-I269 HydrophobicContact CG2-CB 4.1Å; T196-I269 HydrophobicContact CG2-CD1 3.96Å; T196-I269 HydrophobicContact CG2-CG1 3.72Å; T196-I269 PolarHBondContact OG1-N 2.81Å; A198-I269 HydrophobicContact CB-CB 4.33Å; A198-I269 HydrophobicContact CB-CG2 3.96Å; A198-I269 WeakPolarHBondContact CB-O 3.11Å; A213-I269 HydrophobicContact CB-CG2 4.18Å; T214-I269 VanDerWaalsContact C-CD1 3.41Å; G215-I269 VanDerWaalsContact CA-CD1 3.42Å; I221-I269 HydrophobicContact CB-CD1 4.21Å; I221-I269 HydrophobicContact CD1-CD1 4.5Å; I221-I269 HydrophobicContact CG1-CD1 3.86Å; I221-I269 HydrophobicContact CG2-CD1 3.55Å; V266-I269 HydrophobicContact CG1-CD1 4.13Å; V266-I269 HydrophobicContact CG1-CG1 3.8Å; I269-L289 HydrophobicContact CG2-CD1 3.34Å; I269-L289 HydrophobicContact CG2-CD2 3.67Å; I269-L289 HydrophobicContact CG2-CG 3.5Å; I269-L289 VanDerWaalsContact CG2-CG 3.5Å; I269-L290 CarbonylContact C-O 3.54Å; I269-L290 VanDerWaalsContact CA-O 3.23Å; I269-L290 WeakPolarHBondContact CA-O 3.16Å; I269-L290 WeakPolarHBondContact CG2-O 3.11Å
270C94Very high86.4Confident11 Ų1144.6 Ų44.67%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-138.5141.2173.7-52.10000110.1L290 A326 V328C270-L290 HydrophobicContact CB-CB 4.39Å; C270-L290 PolarHBondContact N-O 2.93Å; C270-L290 PolarHBondContact O-N 3Å; C270-A326 PolarHBondContact SG-O 2.83Å; C270-V328 HydrophobicContact CB-CG1 4.08Å; C270-V328 HydrophobicContact CB-CG2 3.84Å
271W90.5Very high85.3Confident36 Ų3646.8 Ų46.814%0.13624%0.243CC..EExtended strand (participates in β ladder)trans-79.2129.4168.3-69.397.1000109.8A198 S199 R200 A213 V223 L289 C303 V328A198-W271 PolarHBondContact O-NE1 3.05Å; S199-W271 VanDerWaalsContact C-CD1 3.45Å; S199-W271 VanDerWaalsContact O-CD1 3.28Å; R200-W271 HydrophobicContact CB-CG 4.4Å; A213-W271 HydrophobicContact CB-CZ2 3.9Å; V223-W271 HydrophobicContact CG1-CH2 4.37Å; W271-L289 HydrophobicContact CD2-CD1 3.43Å; W271-L289 VanDerWaalsContact CD2-CD1 3.43Å; W271-L289 VanDerWaalsContact CE2-CD1 3.47Å; W271-L289 HydrophobicContact CE3-CB 4.46Å; W271-L289 HydrophobicContact CE3-CD1 3.68Å; W271-L289 HydrophobicContact CG-CD1 3.93Å; W271-L289 HydrophobicContact CH2-CD1 4.02Å; W271-L289 HydrophobicContact CZ2-CD1 3.79Å; W271-L289 HydrophobicContact CZ3-CB 4.39Å; W271-L289 HydrophobicContact CZ3-CD1 3.97Å; W271-C303 HydrophobicContact CZ3-CB 4.38Å; W271-V328 WeakPolarHBondContact O-CG2 3.37Å
272L88.5Confident84.1Confident6 Ų648.4 Ų48.43%0.03124%0.243CC..  trans-73.2134.9177.3-74.5157.7000109.8S274 G286 Q288 L290 I300 V328L272-S274 WeakPolarHBondContact CB-O 3.36Å; L272-S274 PolarHBondContact O-N 3.27Å; L272-G286 VanDerWaalsContact O-CA 3.29Å; L272-G286 WeakPolarHBondContact O-CA 3.48Å; L272-Q288 HydrophobicContact CB-CB 4.25Å; L272-Q288 HydrophobicContact CD1-CB 3.64Å; L272-Q288 PolarHBondContact N-O 2.76Å; L272-L290 HydrophobicContact CG-CB 4.48Å; L272-I300 HydrophobicContact CD1-CD1 4.4Å; L272-I300 HydrophobicContact CD1-CG1 4.3Å; L272-I300 HydrophobicContact CD1-CG2 3.64Å; L272-V328 HydrophobicContact CD2-CB 4.17Å; L272-V328 HydrophobicContact CD2-CG1 3.96Å; L272-V328 HydrophobicContact CD2-CG2 4.47Å
273P78Confident82.7Confident70 Ų7052.9 Ų52.946%0.45526%0.263SS..SBendtrans-67.2-23.4179.426.3-33.9000112.7
274S77.3Confident81Confident13 Ų1349.1 Ų49.19%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-134.8154.7178.146.60000110.5L272 M282 K283 G285L272-S274 WeakPolarHBondContact CB-O 3.36Å; L272-S274 PolarHBondContact O-N 3.27Å; S274-M282 WeakPolarHBondContact OG-CE 3.44Å; S274-M282 PolarHBondContact OG-SD 2.61Å; S274-K283 CarbonylContact C-O 3.33Å; S274-K283 WeakPolarHBondContact CA-O 3.3Å; S274-K283 VanDerWaalsContact CB-O 3.24Å; S274-K283 WeakPolarHBondContact CB-O 3.23Å; S274-G285 CarbonylContact C-O 3.59Å
275T75.2Confident79.4Confident28 Ų2846.1 Ų46.117%0.17226%0.259CS..EExtended strand (participates in β ladder)trans-85119.1175.8-65.30000109T277 M282 K283 G285 Q288T275-T277 PolarHBondContact O-N 3.02Å; T275-M282 CarbonylContact O-C 3.58Å; T275-M282 WeakPolarHBondContact O-CA 3.18Å; T275-K283 PolarHBondContact N-O 2.9Å; T275-K283 PolarHBondContact O-N 2.81Å; T275-G285 WeakPolarHBondContact CB-O 3.33Å; T275-G285 PolarHBondContact N-O 2.65Å; T275-G285 PolarHBondContact OG1-O 2.89Å; T275-Q288 HydrophobicContact CG2-CG 4.15Å
276L71.2Confident77.9Confident6 Ų646.6 Ų46.63%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-72.9113.6167.4-178.773.1000109.3E281 M282 Q288 I300 P347 R348L276-E281 CarbonylContact C-O 3.5Å; L276-E281 WeakPolarHBondContact CA-O 3.41Å; L276-M282 HydrophobicContact CB-SD 3.95Å; L276-M282 HydrophobicContact CD1-SD 4.11Å; L276-Q288 VanDerWaalsContact CB-OE1 3.25Å; L276-Q288 PolarHBondContact O-NE2 3.4Å; L276-I300 HydrophobicContact CD2-CD1 3.87Å; L276-P347 HydrophobicContact CD2-CB 4.24Å; L276-P347 VanDerWaalsContact CD2-O 3.24Å; L276-P347 WeakPolarHBondContact CD2-O 3.3Å; L276-R348 HydrophobicContact CD1-CB 4.34Å; L276-R348 HydrophobicContact CD1-CG 3.63Å
277T72.8Confident77Confident29 Ų2948.1 Ų48.118%0.17827%0.272CS..  trans-82.6160.3172.742.20000111.3T275 D279 G280 E281 K283T275-T277 PolarHBondContact O-N 3.02Å; T277-D279 WeakPolarHBondContact CB-OD1 3.39Å; T277-D279 PolarHBondContact O-N 3Å; T277-D279 VanDerWaalsContact O-N 3.09Å; T277-D279 PolarHBondContact OG1-OD1 2.87Å; T277-G280 PolarHBondContact O-N 3.09Å; T277-E281 PolarHBondContact N-O 3.01Å; T277-E281 WeakPolarHBondContact OG1-CB 3.43Å; T277-E281 PolarHBondContact OG1-O 3.39Å; T277-K283 HydrophobicContact CG2-CD 3.8Å; T277-K283 HydrophobicContact CG2-CG 4.14Å
278N68.8Low76.6Confident157 Ų15747.7 Ų47.784%0.8427%0.269SS*.THydrogen-bonded Turntrans-60.9-19.8-176.6-69.8-16.4000114.1G280N278-G280 VanDerWaalsContact C-N 3.26Å
279D68Low76.3Confident104 Ų10446.2 Ų46.256%0.55626%0.264SS*.THydrogen-bonded Turntrans-81.81.1173.352.49.7000113.3T277 E281T277-D279 WeakPolarHBondContact CB-OD1 3.39Å; T277-D279 PolarHBondContact O-N 3Å; T277-D279 VanDerWaalsContact O-N 3.09Å; T277-D279 PolarHBondContact OG1-OD1 2.87Å; D279-E281 VanDerWaalsContact C-N 3.29Å; D279-E281 PolarHBondContact OD1-N 2.76Å; D279-E281 VanDerWaalsContact OD1-N 3.16Å
280G67.6Low76.3Confident21 Ų2146.1 Ų46.122%0.21626%0.263CS..SBendtrans79.68.3-178.100000113.9T277 N278 R348T277-G280 PolarHBondContact O-N 3.09Å; N278-G280 VanDerWaalsContact C-N 3.26Å; G280-R348 WeakPolarHBondContact O-CB 3.33Å; G280-R348 WeakPolarHBondContact O-CD 3.39Å; G280-R348 WeakPolarHBondContact O-CG 3.17Å
281E68.4Low76.4Confident115 Ų11545.6 Ų45.654%0.53726%0.26SS..  trans-81.9150.9173.5-60.7-170.316600111.4L276 T277 D279L276-E281 CarbonylContact C-O 3.5Å; L276-E281 WeakPolarHBondContact CA-O 3.41Å; T277-E281 PolarHBondContact N-O 3.01Å; T277-E281 WeakPolarHBondContact OG1-CB 3.43Å; T277-E281 PolarHBondContact OG1-O 3.39Å; D279-E281 VanDerWaalsContact C-N 3.29Å; D279-E281 PolarHBondContact OD1-N 2.76Å; D279-E281 VanDerWaalsContact OD1-N 3.16Å
282M66.4Low76.7Confident62 Ų6243.9 Ų43.931%0.30525%0.253SS..EExtended strand (participates in β ladder)trans-105.3111.3174.4-76-70.4-128.400108.9S274 T275 L276 P347 R348S274-M282 WeakPolarHBondContact OG-CE 3.44Å; S274-M282 PolarHBondContact OG-SD 2.61Å; T275-M282 CarbonylContact O-C 3.58Å; T275-M282 WeakPolarHBondContact O-CA 3.18Å; L276-M282 HydrophobicContact CB-SD 3.95Å; L276-M282 HydrophobicContact CD1-SD 4.11Å; M282-P347 HydrophobicContact CE-CG 4.02Å; M282-R348 HydrophobicContact CG-CG 4.34Å
283K67.2Low77.2Confident105 Ų10543.6 Ų43.646%0.45725%0.252SS..EExtended strand (participates in β ladder)trans-96.1141.4175-69.1-174.3-175.7169.90111S274 T275 T277 G285S274-K283 CarbonylContact C-O 3.33Å; S274-K283 WeakPolarHBondContact CA-O 3.3Å; S274-K283 VanDerWaalsContact CB-O 3.24Å; S274-K283 WeakPolarHBondContact CB-O 3.23Å; T275-K283 PolarHBondContact N-O 2.9Å; T275-K283 PolarHBondContact O-N 2.81Å; T277-K283 HydrophobicContact CG2-CD 3.8Å; T277-K283 HydrophobicContact CG2-CG 4.14Å; K283-G285 PolarHBondContact O-N 3.14Å
284P61.4Low78.1Confident128 Ų12844.3 Ų44.383%0.83125%0.245SC*.EExtended strand (participates in β ladder)trans-61.4131.6172.824.6-30.9000110
285G62.5Low79Confident31 Ų3145.2 Ų45.232%0.3225%0.249SC..  trans140114.4-174.700000109.8S274 T275 K283 N287S274-G285 CarbonylContact C-O 3.59Å; T275-G285 WeakPolarHBondContact CB-O 3.33Å; T275-G285 PolarHBondContact N-O 2.65Å; T275-G285 PolarHBondContact OG1-O 2.89Å; K283-G285 PolarHBondContact O-N 3.14Å; G285-N287 PolarHBondContact O-N 2.85Å
286G66.5Low80Confident10 Ų1047.4 Ų47.410%0.10326%0.257CS..  trans-93.755.2-173.200000113.8R200 L272R200-G286 VanDerWaalsContact NH1-C 3.29Å; R200-G286 PolarHBondContact NH1-O 3.2Å; L272-G286 VanDerWaalsContact O-CA 3.29Å; L272-G286 WeakPolarHBondContact O-CA 3.48Å
287N80Confident81.1Confident32 Ų3247.2 Ų47.217%0.17126%0.256CS..  trans-96.6-2.8-177.4-72.4-9.3000113.8R200 G285 C303 E304R200-N287 PolarHBondContact NH1-OD1 2.81Å; G285-N287 PolarHBondContact O-N 2.85Å; N287-C303 VanDerWaalsContact O-CB 3.27Å; N287-C303 WeakPolarHBondContact O-CB 3.34Å; N287-C303 PolarHBondContact O-N 3.35Å; N287-E304 HydrophobicContact CB-CG 4.32Å; N287-E304 PolarHBondContact ND2-OE1 2.84Å; N287-E304 PolarHBondContact ND2-OE2 2.83Å
288Q89.5Confident82.2Confident3 Ų345.9 Ų45.91%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-100.9147.7178.8-68.7-177.3-17.700112.3L272 T275 L276 I300 W301L272-Q288 HydrophobicContact CB-CB 4.25Å; L272-Q288 HydrophobicContact CD1-CB 3.64Å; L272-Q288 PolarHBondContact N-O 2.76Å; T275-Q288 HydrophobicContact CG2-CG 4.15Å; L276-Q288 VanDerWaalsContact CB-OE1 3.25Å; L276-Q288 PolarHBondContact O-NE2 3.4Å; Q288-I300 HydrophobicContact CB-CG2 4.18Å; Q288-I300 HydrophobicContact CG-CG2 4.47Å; Q288-W301 CarbonylContact C-O 3.47Å; Q288-W301 WeakPolarHBondContact CA-O 3.39Å; Q288-W301 WeakPolarHBondContact CB-O 3.28Å
289L92.6Very high83.4Confident0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-117.4129.5-179.3-164.774.9000109.1A213 I221 L259 I269 W271 I300 W301A213-L289 HydrophobicContact CB-CD1 3.99Å; A213-L289 HydrophobicContact CB-CD2 3.85Å; I221-L289 HydrophobicContact CG2-CD2 3.64Å; L259-L289 HydrophobicContact CD1-CD2 3.93Å; I269-L289 HydrophobicContact CG2-CD1 3.34Å; I269-L289 HydrophobicContact CG2-CD2 3.67Å; I269-L289 HydrophobicContact CG2-CG 3.5Å; I269-L289 VanDerWaalsContact CG2-CG 3.5Å; W271-L289 HydrophobicContact CD2-CD1 3.43Å; W271-L289 VanDerWaalsContact CD2-CD1 3.43Å; W271-L289 VanDerWaalsContact CE2-CD1 3.47Å; W271-L289 HydrophobicContact CE3-CB 4.46Å; W271-L289 HydrophobicContact CE3-CD1 3.68Å; W271-L289 HydrophobicContact CG-CD1 3.93Å; W271-L289 HydrophobicContact CH2-CD1 4.02Å; W271-L289 HydrophobicContact CZ2-CD1 3.79Å; W271-L289 HydrophobicContact CZ3-CB 4.39Å; W271-L289 HydrophobicContact CZ3-CD1 3.97Å; L289-I300 CarbonylContact O-C 3.5Å; L289-I300 WeakPolarHBondContact O-CA 3.38Å; L289-W301 HydrophobicContact CB-CB 4.29Å; L289-W301 PolarHBondContact N-O 3.32Å; L289-W301 VanDerWaalsContact O-CD1 3.3Å; L289-W301 PolarHBondContact O-N 2.9Å
290L95.1Very high84.6Confident1 Ų135 Ų351%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-89.2138.1164.7175.270.1000108.9I269 C270 L272 L298 R299 I300 A326 V328 I333I269-L290 CarbonylContact C-O 3.54Å; I269-L290 VanDerWaalsContact CA-O 3.23Å; I269-L290 WeakPolarHBondContact CA-O 3.16Å; I269-L290 WeakPolarHBondContact CG2-O 3.11Å; C270-L290 HydrophobicContact CB-CB 4.39Å; C270-L290 PolarHBondContact N-O 2.93Å; C270-L290 PolarHBondContact O-N 3Å; L272-L290 HydrophobicContact CG-CB 4.48Å; L290-L298 HydrophobicContact CD1-CB 4.18Å; L290-R299 CarbonylContact C-O 3.51Å; L290-R299 WeakPolarHBondContact CA-O 3.28Å; L290-I300 HydrophobicContact CD1-CG1 4.27Å; L290-A326 HydrophobicContact CD2-CB 4.2Å; L290-V328 HydrophobicContact CB-CG1 4.31Å; L290-V328 HydrophobicContact CD2-CG1 3.36Å; L290-V328 HydrophobicContact CG-CG1 4.45Å; L290-I333 HydrophobicContact CD1-CD1 3.87Å; L290-I333 HydrophobicContact CD1-CG2 4.39Å; L290-I333 HydrophobicContact CD2-CB 4.38Å; L290-I333 HydrophobicContact CD2-CD1 4.34Å; L290-I333 HydrophobicContact CD2-CG1 4.14Å; L290-I333 HydrophobicContact CD2-CG2 3.4Å
291S97.4Very high85.8Confident0 Ų034.2 Ų34.20%018%0.178CC..EExtended strand (participates in β ladder)trans-130.5150.3163.1630000111.4I221 H262 R268 L298 R299 W301I221-S291 WeakPolarHBondContact CD1-OG 3.49Å; H262-S291 PolarHBondContact CD2-OG 3.3Å; H262-S291 PolarHBondContact NE2-OG 3.46Å; R268-S291 WeakPolarHBondContact O-CA 3.28Å; S291-L298 CarbonylContact O-C 3.49Å; S291-L298 VanDerWaalsContact O-CA 3.3Å; S291-L298 WeakPolarHBondContact O-CA 3.48Å; S291-R299 PolarHBondContact N-O 3.23Å; S291-R299 PolarHBondContact O-N 2.95Å; S291-W301 PolarHBondContact OG-NE1 2.97Å
292I97.4Very high86.9Confident0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans-127.5155.5171.960.2151.3000110.5V266 T267 R268 S297 L298 L323 D325 A326V266-I292 CarbonylContact C-O 3.53Å; V266-I292 WeakPolarHBondContact CA-O 3.46Å; T267-I292 PolarHBondContact N-O 3.34Å; T267-I292 WeakPolarHBondContact OG1-CD1 3.17Å; T267-I292 WeakPolarHBondContact OG1-CG1 3.3Å; T267-I292 PolarHBondContact OG1-O 3.04Å; R268-I292 HydrophobicContact CB-CD1 3.83Å; R268-I292 HydrophobicContact CB-CG1 3.7Å; R268-I292 WeakPolarHBondContact O-CG1 3.41Å; R268-I292 PolarHBondContact O-N 3.29Å; I292-S297 WeakPolarHBondContact CA-O 3.3Å; I292-L298 HydrophobicContact CG2-CB 4.04Å; I292-L298 HydrophobicContact CG2-CD2 3.93Å; I292-L298 HydrophobicContact CG2-CG 3.72Å; I292-L323 HydrophobicContact CB-CB 4.14Å; I292-L323 HydrophobicContact CB-CD1 4Å; I292-L323 HydrophobicContact CD1-CB 3.68Å; I292-L323 HydrophobicContact CG1-CB 4.48Å; I292-L323 HydrophobicContact CG2-CD1 3.99Å; I292-D325 WeakPolarHBondContact CD1-O 3.45Å; I292-A326 HydrophobicContact CD1-CB 3.78Å; I292-A326 HydrophobicContact CG1-CB 4.02Å; I292-A326 HydrophobicContact CG2-CB 3.81Å
293S97.7Very high87.8Confident0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-146.4162-175.2170.70000112.4H262 E264 T265 D295 H296 S297H262-S293 WeakPolarHBondContact ND1-CB 3.22Å; E264-S293 PolarHBondContact O-OG 3.14Å; T265-S293 WeakPolarHBondContact O-CA 3.36Å; T265-S293 WeakPolarHBondContact O-CB 3.47Å; T265-S293 PolarHBondContact O-OG 2.77Å; S293-D295 VanDerWaalsContact CB-OD1 3.24Å; S293-D295 WeakPolarHBondContact CB-OD1 3.35Å; S293-D295 PolarHBondContact O-N 2.76Å; S293-D295 PolarHBondContact OG-N 2.72Å; S293-D295 PolarHBondContact OG-OD1 3.19Å; S293-H296 PolarHBondContact O-N 3.34Å; S293-S297 PolarHBondContact N-O 2.76Å
294W97.5Very high88.6Confident86 Ų8628.4 Ų28.433%0.32615%0.154SC..THydrogen-bonded Turntrans-67.4-5.2166.2-72.2-6000113.9W217 E264 T265 T267 H296 A322 L323 H324W217-W294 AromaticContact CH2-CH2 3.95Å; W217-W294 HydrophobicContact CH2-CH2 3.95Å; W217-W294 AromaticContact CH2-CZ3 3.57Å; W217-W294 HydrophobicContact CH2-CZ3 3.57Å; W217-W294 HydrophobicContact CZ2-CZ3 4.25Å; W217-W294 AromaticContact CZ3-CH2 3.93Å; W217-W294 HydrophobicContact CZ3-CH2 3.93Å; W217-W294 AromaticContact CZ3-CZ3 3.9Å; W217-W294 HydrophobicContact CZ3-CZ3 3.9Å; E264-W294 HydrophobicContact CB-CB 4.03Å; T265-W294 HydrophobicContact CG2-CB 3.85Å; T265-W294 HydrophobicContact CG2-CD2 3.21Å; T265-W294 HydrophobicContact CG2-CE3 3.16Å; T265-W294 HydrophobicContact CG2-CG 3.54Å; T265-W294 HydrophobicContact CG2-CH2 4.3Å; T265-W294 HydrophobicContact CG2-CZ2 4.38Å; T265-W294 HydrophobicContact CG2-CZ3 3.74Å; T265-W294 PolarHBondContact O-N 2.8Å; T267-W294 HydrophobicContact CG2-CD2 4.27Å; T267-W294 HydrophobicContact CG2-CG 3.98Å; T267-W294 VanDerWaalsContact CG2-NE1 3.25Å; W294-H296 PolarHBondContact O-CD2 3.08Å; W294-H296 PolarHBondContact O-N 3.32Å; W294-A322 HydrophobicContact CB-CB 4.43Å; W294-A322 HydrophobicContact CG-CB 4.34Å; W294-L323 VanDerWaalsContact CD1-O 3.31Å; W294-H324 AromaticContact NE1-CE1 3.64Å; W294-H324 AromaticContact NE1-ND1 3.4Å; W294-H324 PolarHBondContact NE1-ND1 3.44Å
295D96.6Very high89.6Confident32 Ų3223.2 Ų23.217%0.17112%0.122CC..THydrogen-bonded Turntrans-76.37.5168.8734000113.4H262 R263 E264 S293 S297H262-D295 WeakPolarHBondContact CA-OD2 3.48Å; H262-D295 IonicContact CE1-OD1 3.85Å; H262-D295 IonicContact CG-OD2 3.46Å; H262-D295 IonicContact ND1-OD1 3.31Å; H262-D295 PolarHBondContact ND1-OD1 3.07Å; H262-D295 IonicContact ND1-OD2 3.93Å; H262-D295 PolarHBondContact ND1-OD2 3.26Å; R263-D295 HydrophobicContact CB-CB 3.99Å; R263-D295 PolarHBondContact N-OD2 3.06Å; E264-D295 HydrophobicContact CB-CB 4.02Å; E264-D295 HydrophobicContact CG-CB 4.42Å; S293-D295 VanDerWaalsContact CB-OD1 3.24Å; S293-D295 WeakPolarHBondContact CB-OD1 3.35Å; S293-D295 PolarHBondContact O-N 2.76Å; S293-D295 PolarHBondContact OG-N 2.72Å; S293-D295 PolarHBondContact OG-OD1 3.19Å; D295-S297 PolarHBondContact O-N 3.21Å; D295-S297 WeakPolarHBondContact OD1-CA 3.32Å; D295-S297 VanDerWaalsContact OD1-CB 3.3Å; D295-S297 WeakPolarHBondContact OD1-CB 3.45Å; D295-S297 PolarHBondContact OD1-N 3.35Å; D295-S297 PolarHBondContact OD1-OG 3.26Å; D295-S297 PolarHBondContact OD2-OG 2.85Å
296H95.1Very high90.6Very high73 Ų7322 Ų2234%0.33811%0.109SC..SBendtrans66.518.5-178.9-44.6172.3000113.8S293 W294 S319 A322S293-H296 PolarHBondContact O-N 3.34Å; W294-H296 PolarHBondContact O-CD2 3.08Å; W294-H296 PolarHBondContact O-N 3.32Å; H296-S319 WeakPolarHBondContact CB-O 3.41Å; H296-S319 WeakPolarHBondContact O-CA 3.42Å; H296-S319 WeakPolarHBondContact O-CB 3.46Å; H296-S319 PolarHBondContact O-N 2.95Å; H296-A322 VanDerWaalsContact CD2-CA 3.45Å; H296-A322 WeakPolarHBondContact CD2-CA 3.38Å; H296-A322 PolarHBondContact CD2-N 3.03Å; H296-A322 PolarHBondContact NE2-N 2.76Å
297S94.8Very high91.1Very high2 Ų226.7 Ų26.71%0.01413%0.127CC..EExtended strand (participates in β ladder)trans-109.3145.9176.270.70000112.7H262 I292 S293 D295 R299 I317H262-S297 PolarHBondContact CE1-O 2.88Å; H262-S297 PolarHBondContact CE1-OG 2.87Å; H262-S297 PolarHBondContact ND1-OG 3.36Å; I292-S297 WeakPolarHBondContact CA-O 3.3Å; S293-S297 PolarHBondContact N-O 2.76Å; D295-S297 PolarHBondContact O-N 3.21Å; D295-S297 WeakPolarHBondContact OD1-CA 3.32Å; D295-S297 VanDerWaalsContact OD1-CB 3.3Å; D295-S297 WeakPolarHBondContact OD1-CB 3.45Å; D295-S297 PolarHBondContact OD1-N 3.35Å; D295-S297 PolarHBondContact OD1-OG 3.26Å; D295-S297 PolarHBondContact OD2-OG 2.85Å; S297-R299 PolarHBondContact OG-NE 3.2Å; S297-I317 WeakPolarHBondContact CA-O 3.49Å
298L95.3Very high90.9Very high2 Ų227.6 Ų27.61%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-108127.7161.8-48.883.9000107.3L290 S291 I292 C316 I317 L323 I333 T335 Y345L290-L298 HydrophobicContact CD1-CB 4.18Å; S291-L298 CarbonylContact O-C 3.49Å; S291-L298 VanDerWaalsContact O-CA 3.3Å; S291-L298 WeakPolarHBondContact O-CA 3.48Å; I292-L298 HydrophobicContact CG2-CB 4.04Å; I292-L298 HydrophobicContact CG2-CD2 3.93Å; I292-L298 HydrophobicContact CG2-CG 3.72Å; L298-C316 CarbonylContact O-C 3.38Å; L298-C316 WeakPolarHBondContact O-CA 3.36Å; L298-I317 HydrophobicContact CB-CB 4.31Å; L298-I317 HydrophobicContact CD1-CB 4.15Å; L298-I317 HydrophobicContact CD1-CG2 4.04Å; L298-I317 WeakPolarHBondContact CD1-O 3.02Å; L298-I317 PolarHBondContact N-O 3.15Å; L298-I317 PolarHBondContact O-N 2.85Å; L298-L323 HydrophobicContact CD1-CD1 3.55Å; L298-L323 HydrophobicContact CD2-CD1 4.25Å; L298-L323 HydrophobicContact CG-CD1 3.51Å; L298-I333 HydrophobicContact CD2-CG2 3.68Å; L298-T335 HydrophobicContact CD2-CG2 3.46Å; L298-T335 VanDerWaalsContact CD2-CG2 3.46Å; L298-T335 HydrophobicContact CG-CG2 4.42Å; L298-Y345 HydrophobicContact CD1-CE2 4.2Å; L298-Y345 HydrophobicContact CD2-CD2 3.93Å; L298-Y345 HydrophobicContact CD2-CE2 4.22Å
299R94.8Very high90.2Very high30 Ų3034.7 Ų34.711%0.11318%0.182CC..EExtended strand (participates in β ladder)trans-121.8137-178.9-65.8179.1-172.6-109.7-0.6110.9G261 L290 S291 S297 W301 E313 R315 C316G261-R299 PolarHBondContact O-NH2 3.19Å; L290-R299 CarbonylContact C-O 3.51Å; L290-R299 WeakPolarHBondContact CA-O 3.28Å; S291-R299 PolarHBondContact N-O 3.23Å; S291-R299 PolarHBondContact O-N 2.95Å; S297-R299 PolarHBondContact OG-NE 3.2Å; R299-W301 HydrophobicContact CB-CZ2 3.73Å; R299-W301 VanDerWaalsContact CD-CZ2 3.41Å; R299-W301 HydrophobicContact CG-CZ2 4.21Å; R299-E313 IonicContact CZ-OE2 3.6Å; R299-E313 VanDerWaalsContact NH1-CD 3.28Å; R299-E313 IonicContact NH1-OE1 3.77Å; R299-E313 PolarHBondContact NH1-OE1 2.99Å; R299-E313 IonicContact NH1-OE2 2.82Å; R299-E313 PolarHBondContact NH1-OE2 3.01Å; R299-R315 CarbonylContact C-O 3.5Å; R299-R315 WeakPolarHBondContact CA-O 3.46Å; R299-C316 HydrophobicContact CG-CB 4.29Å
300I93.9Very high88.8Confident2 Ų238.9 Ų38.91%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-106.1125.1172.7-59.2176.2000107.7L272 L276 Q288 L289 L290 V314 R315 I333 P347L272-I300 HydrophobicContact CD1-CD1 4.4Å; L272-I300 HydrophobicContact CD1-CG1 4.3Å; L272-I300 HydrophobicContact CD1-CG2 3.64Å; L276-I300 HydrophobicContact CD2-CD1 3.87Å; Q288-I300 HydrophobicContact CB-CG2 4.18Å; Q288-I300 HydrophobicContact CG-CG2 4.47Å; L289-I300 CarbonylContact O-C 3.5Å; L289-I300 WeakPolarHBondContact O-CA 3.38Å; L290-I300 HydrophobicContact CD1-CG1 4.27Å; I300-V314 HydrophobicContact CG2-CB 4.29Å; I300-V314 PolarHBondContact O-N 2.89Å; I300-R315 HydrophobicContact CB-CB 4.13Å; I300-R315 HydrophobicContact CD1-CB 4.26Å; I300-R315 HydrophobicContact CG1-CB 4.42Å; I300-R315 PolarHBondContact N-O 2.83Å; I300-R315 PolarHBondContact O-N 3.22Å; I300-I333 HydrophobicContact CD1-CD1 4.36Å; I300-P347 HydrophobicContact CD1-CB 3.65Å
301W93Very high87.5Confident5 Ų542.4 Ų42.42%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-113.8136.6-177.4-4992.1000110.5I221 L259 Q288 L289 S291 R299 A312 E313I221-W301 HydrophobicContact CD1-CZ2 4.16Å; L259-W301 HydrophobicContact CB-CD2 4.07Å; L259-W301 HydrophobicContact CB-CE3 4Å; L259-W301 HydrophobicContact CB-CZ3 4.25Å; L259-W301 HydrophobicContact CD1-CB 3.75Å; L259-W301 HydrophobicContact CD1-CD2 4.09Å; L259-W301 HydrophobicContact CD1-CG 3.72Å; L259-W301 HydrophobicContact CD2-CB 4.43Å; L259-W301 HydrophobicContact CD2-CE3 4.23Å; L259-W301 HydrophobicContact CG-CD2 4.47Å; Q288-W301 CarbonylContact C-O 3.47Å; Q288-W301 WeakPolarHBondContact CA-O 3.39Å; Q288-W301 WeakPolarHBondContact CB-O 3.28Å; L289-W301 HydrophobicContact CB-CB 4.29Å; L289-W301 PolarHBondContact N-O 3.32Å; L289-W301 VanDerWaalsContact O-CD1 3.3Å; L289-W301 PolarHBondContact O-N 2.9Å; S291-W301 PolarHBondContact OG-NE1 2.97Å; R299-W301 HydrophobicContact CB-CZ2 3.73Å; R299-W301 VanDerWaalsContact CD-CZ2 3.41Å; R299-W301 HydrophobicContact CG-CZ2 4.21Å; W301-A312 CarbonylContact C-O 3.52Å; W301-A312 VanDerWaalsContact CA-O 3.25Å; W301-A312 WeakPolarHBondContact CA-O 3.45Å; W301-A312 HydrophobicContact CE3-CB 4.07Å; W301-E313 HydrophobicContact CE3-CB 4.05Å; W301-E313 HydrophobicContact CZ3-CB 3.87Å
302D89.7Confident86.9Confident40 Ų4043.3 Ų43.321%0.21425%0.251CS..EExtended strand (participates in β ladder)trans-91108.9166.2-176.3-24.1000109E304 A305 A306 A312 V314D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 3.23Å; D302-E304 WeakPolarHBondContact OD1-CA 3.29Å; D302-E304 WeakPolarHBondContact OD1-CB 3.39Å; D302-E304 PolarHBondContact OD1-N 2.85Å; D302-A305 HydrophobicContact CB-CB 3.81Å; D302-A305 PolarHBondContact O-N 3.26Å; D302-A305 PolarHBondContact OD1-N 2.94Å; D302-A306 WeakPolarHBondContact O-CB 3.44Å; D302-A306 PolarHBondContact O-N 2.84Å; D302-A312 PolarHBondContact N-O 3.33Å; D302-V314 HydrophobicContact CB-CG2 3.58Å
303C86.5Confident86.5Confident8 Ų847.1 Ų47.15%0.05427%0.269CS..Hα-helixtrans-71.5-22.9-178.5-70.40000113.1F257 W271 N287 K307F257-C303 HydrophobicContact CE2-CB 4.21Å; F257-C303 HydrophobicContact CZ-CB 3.82Å; W271-C303 HydrophobicContact CZ3-CB 4.38Å; N287-C303 VanDerWaalsContact O-CB 3.27Å; N287-C303 WeakPolarHBondContact O-CB 3.34Å; N287-C303 PolarHBondContact O-N 3.35Å; C303-K307 VanDerWaalsContact O-CG 3.26Å; C303-K307 WeakPolarHBondContact O-CG 3.39Å; C303-K307 PolarHBondContact O-N 2.97Å; C303-K307 VanDerWaalsContact O-N 3.14Å
304E82.9Confident86.1Confident111 Ų11149.2 Ų49.252%0.51928%0.282SS..Hα-helixtrans-76.6-43.5174.5-67.8-172.1152.600110.7N287 D302 A306 K307 G308N287-E304 HydrophobicContact CB-CG 4.32Å; N287-E304 PolarHBondContact ND2-OE1 2.84Å; N287-E304 PolarHBondContact ND2-OE2 2.83Å; D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 3.23Å; D302-E304 WeakPolarHBondContact OD1-CA 3.29Å; D302-E304 WeakPolarHBondContact OD1-CB 3.39Å; D302-E304 PolarHBondContact OD1-N 2.85Å; E304-A306 VanDerWaalsContact C-N 3.29Å; E304-A306 PolarHBondContact O-N 3.06Å; E304-K307 PolarHBondContact O-N 3.18Å; E304-G308 PolarHBondContact O-N 3.29Å; E304-G308 VanDerWaalsContact O-N 3.16Å
305A83.4Confident85.6Confident19 Ų1947.6 Ų47.616%0.15728%0.276CS..Hα-helixtrans-62-39.2173.200000111.4D302 G308 N309 T310D302-A305 HydrophobicContact CB-CB 3.81Å; D302-A305 PolarHBondContact O-N 3.26Å; D302-A305 PolarHBondContact OD1-N 2.94Å; A305-G308 CarbonylContact O-C 3.55Å; A305-G308 WeakPolarHBondContact O-CA 3.5Å; A305-G308 PolarHBondContact O-N 2.85Å; A305-G308 VanDerWaalsContact O-N 3.12Å; A305-N309 PolarHBondContact O-N 3.33Å; A305-N309 VanDerWaalsContact O-N 3.15Å; A305-T310 CarbonylContact C-O 3.56Å; A305-T310 WeakPolarHBondContact CA-OG1 3.44Å; A305-T310 VanDerWaalsContact CB-O 3.31Å; A305-T310 WeakPolarHBondContact CB-O 3.42Å; A305-T310 PolarHBondContact O-N 3.35Å; A305-T310 VanDerWaalsContact O-O 3.08Å; A305-T310 PolarHBondContact O-OG1 2.56Å
306A82.3Confident85.4Confident7 Ų748.4 Ų48.46%0.05828%0.283CS..Hα-helixtrans-60.9-45.6174.600000113F257 L259 D302 E304 G308 N309 A312F257-A306 HydrophobicContact CD2-CB 3.66Å; F257-A306 HydrophobicContact CE2-CB 3.72Å; F257-A306 HydrophobicContact CG-CB 4.45Å; L259-A306 HydrophobicContact CD2-CB 3.39Å; D302-A306 WeakPolarHBondContact O-CB 3.44Å; D302-A306 PolarHBondContact O-N 2.84Å; E304-A306 VanDerWaalsContact C-N 3.29Å; E304-A306 PolarHBondContact O-N 3.06Å; A306-G308 PolarHBondContact O-N 3.23Å; A306-N309 PolarHBondContact O-N 2.87Å; A306-A312 HydrophobicContact CB-CB 3.58Å
307K76.8Confident85.3Confident107 Ų10745.2 Ų45.247%0.46527%0.269SS..Hα-helixtrans-57.1-35.3173.8-75.9171.7-179.1-176.40111.5H211 F257 C303 E304 N309H211-K307 PolarHBondContact NE2-NZ 3.44Å; H211-K307 VanDerWaalsContact NE2-NZ 3.1Å; F257-K307 HydrophobicContact CD1-CG 3.51Å; F257-K307 HydrophobicContact CE1-CD 4.01Å; F257-K307 VanDerWaalsContact CE1-CE 3.45Å; F257-K307 HydrophobicContact CE1-CG 3.36Å; F257-K307 HydrophobicContact CG-CG 4.4Å; F257-K307 HydrophobicContact CZ-CG 4.11Å; C303-K307 VanDerWaalsContact O-CG 3.26Å; C303-K307 WeakPolarHBondContact O-CG 3.39Å; C303-K307 PolarHBondContact O-N 2.97Å; C303-K307 VanDerWaalsContact O-N 3.14Å; E304-K307 PolarHBondContact O-N 3.18Å; K307-N309 VanDerWaalsContact C-N 3.33Å
308G77.1Confident85.1Confident51 Ų5150.6 Ų50.653%0.52630%0.297SS..THydrogen-bonded Turntrans-81.30.2175.900000115.6E304 A305 A306 T310E304-G308 PolarHBondContact O-N 3.29Å; E304-G308 VanDerWaalsContact O-N 3.16Å; A305-G308 CarbonylContact O-C 3.55Å; A305-G308 WeakPolarHBondContact O-CA 3.5Å; A305-G308 PolarHBondContact O-N 2.85Å; A305-G308 VanDerWaalsContact O-N 3.12Å; A306-G308 PolarHBondContact O-N 3.23Å; G308-T310 PolarHBondContact O-N 3.25Å
309N73.9Confident84.9Confident152 Ų15250.9 Ų50.981%0.81330%0.299SS*.THydrogen-bonded Turntrans54.325.6-171.1-68-33.9000114A305 A306 K307A305-N309 PolarHBondContact O-N 3.33Å; A305-N309 VanDerWaalsContact O-N 3.15Å; A306-N309 PolarHBondContact O-N 2.87Å; K307-N309 VanDerWaalsContact C-N 3.33Å
310T63.8Low84.6Confident89 Ų8956 Ų5655%0.54633%0.328SS..SBendtrans-100.8112.6173.953.60000107.7A305 G308 A312A305-T310 CarbonylContact C-O 3.56Å; A305-T310 WeakPolarHBondContact CA-OG1 3.44Å; A305-T310 VanDerWaalsContact CB-O 3.31Å; A305-T310 WeakPolarHBondContact CB-O 3.42Å; A305-T310 PolarHBondContact O-N 3.35Å; A305-T310 VanDerWaalsContact O-O 3.08Å; A305-T310 PolarHBondContact O-OG1 2.56Å; G308-T310 PolarHBondContact O-N 3.25Å; T310-A312 PolarHBondContact O-N 2.84Å
311G68.5Low84.6Confident74 Ų7459.2 Ų59.276%0.76334%0.343SS*.  trans4.19317900000116.2E313G311-E313 VanDerWaalsContact C-N 3.3Å; G311-E313 PolarHBondContact O-N 3.1Å
312A84.4Confident84.6Confident19 Ų1959.8 Ų59.816%0.15735%0.349CS..  trans-70.2-24.4-17200000114L259 W301 D302 A306 T310 V314L259-A312 HydrophobicContact CD2-CB 3.65Å; W301-A312 CarbonylContact C-O 3.52Å; W301-A312 VanDerWaalsContact CA-O 3.25Å; W301-A312 WeakPolarHBondContact CA-O 3.45Å; W301-A312 HydrophobicContact CE3-CB 4.07Å; D302-A312 PolarHBondContact N-O 3.33Å; A306-A312 HydrophobicContact CB-CB 3.58Å; T310-A312 PolarHBondContact O-N 2.84Å; A312-V314 PolarHBondContact O-N 3.48Å
313E89.5Confident84.9Confident81 Ų8157.9 Ų57.938%0.37934%0.338SS..EExtended strand (participates in β ladder)trans-78.2114.7-178.4-176.2175.8142.100110.6R299 W301 G311 C316R299-E313 IonicContact CZ-OE2 3.6Å; R299-E313 VanDerWaalsContact NH1-CD 3.28Å; R299-E313 IonicContact NH1-OE1 3.77Å; R299-E313 PolarHBondContact NH1-OE1 2.99Å; R299-E313 IonicContact NH1-OE2 2.82Å; R299-E313 PolarHBondContact NH1-OE2 3.01Å; W301-E313 HydrophobicContact CE3-CB 4.05Å; W301-E313 HydrophobicContact CZ3-CB 3.87Å; G311-E313 VanDerWaalsContact C-N 3.3Å; G311-E313 PolarHBondContact O-N 3.1Å; E313-C316 VanDerWaalsContact OE1-CB 3.28Å; E313-C316 WeakPolarHBondContact OE1-CB 3.46Å
314V87.7Confident85.4Confident43 Ų4359.6 Ų59.626%0.26135%0.346SS..EExtended strand (participates in β ladder)trans-84.8-42.1175-178.70000110I300 D302 A312I300-V314 HydrophobicContact CG2-CB 4.29Å; I300-V314 PolarHBondContact O-N 2.89Å; D302-V314 HydrophobicContact CB-CG2 3.58Å; A312-V314 PolarHBondContact O-N 3.48Å
315R88.8Confident86.1Confident53 Ų5354.5 Ų54.520%0.232%0.322CS..EExtended strand (participates in β ladder)trans-153.4145-171.7-160.2163.8-142.1-123.6-16.4112.3R299 I300 I317 P347 A349 E350R299-R315 CarbonylContact C-O 3.5Å; R299-R315 WeakPolarHBondContact CA-O 3.46Å; I300-R315 HydrophobicContact CB-CB 4.13Å; I300-R315 HydrophobicContact CD1-CB 4.26Å; I300-R315 HydrophobicContact CG1-CB 4.42Å; I300-R315 PolarHBondContact N-O 2.83Å; I300-R315 PolarHBondContact O-N 3.22Å; R315-I317 HydrophobicContact CG-CG1 4.42Å; R315-P347 VanDerWaalsContact CD-O 3.3Å; R315-P347 WeakPolarHBondContact CD-O 3.17Å; R315-P347 PolarHBondContact NH1-O 2.65Å; R315-A349 PolarHBondContact NH1-O 2.76Å; R315-A349 PolarHBondContact NH2-O 2.69Å; R315-E350 PolarHBondContact NH2-O 3.14Å
316C91.6Very high86.8Confident49 Ų4953.6 Ų53.633%0.33132%0.315SS..EExtended strand (participates in β ladder)trans-130.2124.6170.8-179.30000109.5L298 R299 E313L298-C316 CarbonylContact O-C 3.38Å; L298-C316 WeakPolarHBondContact O-CA 3.36Å; R299-C316 HydrophobicContact CG-CB 4.29Å; E313-C316 VanDerWaalsContact OE1-CB 3.28Å; E313-C316 WeakPolarHBondContact OE1-CB 3.46Å
317I92Very high87.4Confident6 Ų655.3 Ų55.33%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-113126.4177.6-59.9175.1000106.8S297 L298 R315 Y345 P352S297-I317 WeakPolarHBondContact CA-O 3.49Å; L298-I317 HydrophobicContact CB-CB 4.31Å; L298-I317 HydrophobicContact CD1-CB 4.15Å; L298-I317 HydrophobicContact CD1-CG2 4.04Å; L298-I317 WeakPolarHBondContact CD1-O 3.02Å; L298-I317 PolarHBondContact N-O 3.15Å; L298-I317 PolarHBondContact O-N 2.85Å; R315-I317 HydrophobicContact CG-CG1 4.42Å; I317-Y345 HydrophobicContact CG2-CD1 3.83Å; I317-Y345 HydrophobicContact CG2-CE1 4.08Å; I317-Y345 HydrophobicContact CG2-CG 4.42Å; I317-P352 HydrophobicContact CG2-CB 3.78Å
318L92Very high88.1Confident115 Ų11551.1 Ų51.160%0.60231%0.306SS*.EExtended strand (participates in β ladder)trans-93.7128.2178-61.4178.6000110.3
319S90.4Very high88.5Confident8 Ų849.9 Ų49.96%0.05629%0.288CS..  trans-91.4160.5164.8174.60000109.5H296 H321H296-S319 WeakPolarHBondContact CB-O 3.41Å; H296-S319 WeakPolarHBondContact O-CA 3.42Å; H296-S319 WeakPolarHBondContact O-CB 3.46Å; H296-S319 PolarHBondContact O-N 2.95Å; S319-H321 VanDerWaalsContact C-N 3.35Å; S319-H321 PolarHBondContact OG-N 3.41Å; S319-H321 VanDerWaalsContact OG-N 3.14Å; S319-H321 PolarHBondContact OG-O 2.98Å
320N89.6Confident88.9Confident138 Ų13848.7 Ų48.774%0.73828%0.281SS*.SBendtrans-85.3-12.9171.9-67-29.9000112.8
321H92.2Very high89.8Confident69 Ų6948.8 Ų48.832%0.31927%0.271SS..SBendtrans-135.8153.1-171.9-59-73.1000111.2S319 D339S319-H321 VanDerWaalsContact C-N 3.35Å; S319-H321 PolarHBondContact OG-N 3.41Å; S319-H321 VanDerWaalsContact OG-N 3.14Å; S319-H321 PolarHBondContact OG-O 2.98Å; H321-D339 IonicContact CD2-OD2 2.66Å; H321-D339 PolarHBondContact CD2-OD2 2.79Å; H321-D339 IonicContact CG-OD2 3.68Å; H321-D339 IonicContact NE2-OD2 2.97Å; H321-D339 PolarHBondContact NE2-OD2 2.91Å
322A94.3Very high90.8Very high16 Ų1645.5 Ų45.513%0.13224%0.237CC..  trans-59.7138.2174.500000111.2W294 H296 S337 S338W294-A322 HydrophobicContact CB-CB 4.43Å; W294-A322 HydrophobicContact CG-CB 4.34Å; H296-A322 VanDerWaalsContact CD2-CA 3.45Å; H296-A322 WeakPolarHBondContact CD2-CA 3.38Å; H296-A322 PolarHBondContact CD2-N 3.03Å; H296-A322 PolarHBondContact NE2-N 2.76Å; A322-S337 WeakPolarHBondContact O-CA 3.4Å; A322-S338 PolarHBondContact N-OG 3.31Å; A322-S338 PolarHBondContact O-N 3.31Å; A322-S338 PolarHBondContact O-OG 3.11Å
323L96.1Very high91.3Very high0 Ų044.6 Ų44.60%023%0.23CC..EExtended strand (participates in β ladder)trans-105.6129-176.2-55.5177.4000109.7T267 I292 W294 L298 T335 A336T267-L323 WeakPolarHBondContact CB-O 3.34Å; T267-L323 WeakPolarHBondContact CG2-O 3.44Å; T267-L323 PolarHBondContact OG1-O 3.48Å; I292-L323 HydrophobicContact CB-CB 4.14Å; I292-L323 HydrophobicContact CB-CD1 4Å; I292-L323 HydrophobicContact CD1-CB 3.68Å; I292-L323 HydrophobicContact CG1-CB 4.48Å; I292-L323 HydrophobicContact CG2-CD1 3.99Å; W294-L323 VanDerWaalsContact CD1-O 3.31Å; L298-L323 HydrophobicContact CD1-CD1 3.55Å; L298-L323 HydrophobicContact CD2-CD1 4.25Å; L298-L323 HydrophobicContact CG-CD1 3.51Å; L323-T335 HydrophobicContact CD1-CG2 4.38Å; L323-A336 CarbonylContact C-O 3.58Å; L323-A336 WeakPolarHBondContact CA-O 3.24Å
324H96.7Very high91.6Very high45 Ų4540.8 Ų40.821%0.20821%0.212CC..EExtended strand (participates in β ladder)trans-99.4-34-177.8-66.7-69.3000112.6W294 A336 L365W294-H324 AromaticContact NE1-CE1 3.64Å; W294-H324 AromaticContact NE1-ND1 3.4Å; W294-H324 PolarHBondContact NE1-ND1 3.44Å; H324-A336 PolarHBondContact N-O 3.47Å; H324-L365 VanDerWaalsContact CB-O 3.23Å; H324-L365 WeakPolarHBondContact CB-O 3.43Å; H324-L365 PolarHBondContact CD2-O 2.62Å; H324-L365 VanDerWaalsContact CD2-O 3.22Å
325D97.4Very high92Very high3 Ų338.7 Ų38.72%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-151.6156.2-178.6-163.27.5000111.1R268 I292 T335 A336 S367 V368R268-D325 WeakPolarHBondContact CD-OD1 3.35Å; R268-D325 WeakPolarHBondContact CG-OD1 3.39Å; R268-D325 IonicContact CZ-OD1 3.86Å; R268-D325 IonicContact CZ-OD2 3.67Å; R268-D325 IonicContact NE-OD1 2.78Å; R268-D325 PolarHBondContact NE-OD1 2.95Å; R268-D325 IonicContact NE-OD2 2.87Å; R268-D325 IonicContact NH2-OD1 3.75Å; R268-D325 PolarHBondContact NH2-OD1 2.72Å; R268-D325 IonicContact NH2-OD2 3.59Å; R268-D325 PolarHBondContact NH2-OD2 2.79Å; I292-D325 WeakPolarHBondContact CD1-O 3.45Å; D325-T335 WeakPolarHBondContact O-CA 3.18Å; D325-A336 HydrophobicContact CB-CB 3.88Å; D325-A336 PolarHBondContact O-N 3.46Å; D325-S367 WeakPolarHBondContact OD2-CA 3.29Å; D325-S367 VanDerWaalsContact OD2-CB 3.25Å; D325-S367 WeakPolarHBondContact OD2-CB 3.34Å; D325-S367 PolarHBondContact OD2-OG 2.6Å; D325-V368 HydrophobicContact CB-CG2 4.09Å; D325-V368 PolarHBondContact OD2-N 3.33Å
326A96.9Very high92.3Very high1 Ų136.2 Ų36.21%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-146.2154.8174.500000111.2R268 C270 L290 I292 L334 T335R268-A326 WeakPolarHBondContact CG-O 3.33Å; C270-A326 PolarHBondContact SG-O 2.83Å; L290-A326 HydrophobicContact CD2-CB 4.2Å; I292-A326 HydrophobicContact CD1-CB 3.78Å; I292-A326 HydrophobicContact CG1-CB 4.02Å; I292-A326 HydrophobicContact CG2-CB 3.81Å; A326-L334 CarbonylContact C-O 3.35Å; A326-L334 WeakPolarHBondContact CA-O 3.2Å; A326-L334 WeakPolarHBondContact CB-O 3.43Å; A326-T335 HydrophobicContact CB-CG2 4.24Å
327D95.2Very high92.4Very high42 Ų4233.9 Ų33.923%0.22517%0.174CC..EExtended strand (participates in β ladder)trans-146.4155.9168.2-168.219.9000110.4L334 W370D327-L334 PolarHBondContact N-O 2.93Å; D327-L334 WeakPolarHBondContact O-CB 3.47Å; D327-L334 PolarHBondContact O-N 3.38Å; D327-W370 PolarHBondContact O-NE1 3.33Å; D327-W370 WeakPolarHBondContact OD2-CB 3.36Å; D327-W370 PolarHBondContact OD2-N 2.86Å
328V91.5Very high92.5Very high19 Ų1935 Ų3512%0.11518%0.183CC..EExtended strand (participates in β ladder)trans-123.9136.8-171.3-62.40000111.9C270 W271 L272 L290 I333C270-V328 HydrophobicContact CB-CG1 4.08Å; C270-V328 HydrophobicContact CB-CG2 3.84Å; W271-V328 WeakPolarHBondContact O-CG2 3.37Å; L272-V328 HydrophobicContact CD2-CB 4.17Å; L272-V328 HydrophobicContact CD2-CG1 3.96Å; L272-V328 HydrophobicContact CD2-CG2 4.47Å; L290-V328 HydrophobicContact CB-CG1 4.31Å; L290-V328 HydrophobicContact CD2-CG1 3.36Å; L290-V328 HydrophobicContact CG-CG1 4.45Å; V328-I333 HydrophobicContact CG1-CG1 4.13Å; V328-I333 HydrophobicContact CG1-CG2 4.49Å
329N86.9Confident92.6Very high26 Ų2631.6 Ų31.614%0.13917%0.166CC..EExtended strand (participates in β ladder)trans-145.9-172.8167.874.7-1.7000110.2R331 G332 W370 Q375N329-R331 PolarHBondContact O-N 3.06Å; N329-R331 WeakPolarHBondContact OD1-CA 3.24Å; N329-R331 VanDerWaalsContact OD1-CB 3.23Å; N329-R331 WeakPolarHBondContact OD1-CB 3.33Å; N329-R331 PolarHBondContact OD1-N 2.99Å; N329-G332 PolarHBondContact N-O 2.82Å; N329-G332 VanDerWaalsContact N-O 3.15Å; N329-G332 PolarHBondContact O-N 3.22Å; N329-G332 PolarHBondContact OD1-N 2.86Å; N329-G332 PolarHBondContact OD1-O 3.28Å; N329-W370 HydrophobicContact CB-CB 4.33Å; N329-W370 HydrophobicContact CB-CD2 4.18Å; N329-W370 HydrophobicContact CB-CG 3.88Å; N329-W370 VanDerWaalsContact CG-CD2 3.44Å; N329-Q375 PolarHBondContact ND2-O 2.86Å; N329-Q375 VanDerWaalsContact ND2-O 3.09Å
330N81.7Confident92.8Very high126 Ų12633 Ų3367%0.67417%0.173SC*.THydrogen-bonded Turntrans-68.7-14.6178.9-63.9-21.2000114.1
331R83.1Confident93Very high91 Ų9127.1 Ų27.134%0.34314%0.142SC..THydrogen-bonded Turntrans-80.4-31.4173.7-71.6-65.9-161.1172.80.8112N329 W370 Q375 D376N329-R331 PolarHBondContact O-N 3.06Å; N329-R331 WeakPolarHBondContact OD1-CA 3.24Å; N329-R331 VanDerWaalsContact OD1-CB 3.23Å; N329-R331 WeakPolarHBondContact OD1-CB 3.33Å; N329-R331 PolarHBondContact OD1-N 2.99Å; R331-W370 HydrophobicContact CB-CH2 4.24Å; R331-W370 HydrophobicContact CB-CZ2 4.48Å; R331-Q375 HydrophobicContact CG-CB 4.47Å; R331-Q375 VanDerWaalsContact CG-O 3.3Å; R331-Q375 WeakPolarHBondContact CG-O 3.36Å; R331-D376 IonicContact CZ-OD1 3.86Å; R331-D376 IonicContact NE-OD1 3.4Å; R331-D376 PolarHBondContact NE-OD1 2.83Å; R331-D376 IonicContact NH2-OD1 3.04Å; R331-D376 PolarHBondContact NH2-OD1 2.75Å; R331-D376 IonicContact NH2-OD2 3.93Å; R331-D376 PolarHBondContact NH2-OD2 2.97Å
332G89.8Confident93.2Very high5 Ų523.9 Ų23.95%0.05213%0.127CC..EExtended strand (participates in β ladder)trans152.1-164.1176.800000113.2N329 Y345N329-G332 PolarHBondContact N-O 2.82Å; N329-G332 VanDerWaalsContact N-O 3.15Å; N329-G332 PolarHBondContact O-N 3.22Å; N329-G332 PolarHBondContact OD1-N 2.86Å; N329-G332 PolarHBondContact OD1-O 3.28Å; G332-Y345 WeakPolarHBondContact CA-O 3.43Å
333I93.5Very high93.2Very high1 Ų125 Ų251%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-94.7111.1178.1-58.6165.3000108.2L290 L298 I300 V328 T335 I344 Y345 P347L290-I333 HydrophobicContact CD1-CD1 3.87Å; L290-I333 HydrophobicContact CD1-CG2 4.39Å; L290-I333 HydrophobicContact CD2-CB 4.38Å; L290-I333 HydrophobicContact CD2-CD1 4.34Å; L290-I333 HydrophobicContact CD2-CG1 4.14Å; L290-I333 HydrophobicContact CD2-CG2 3.4Å; L298-I333 HydrophobicContact CD2-CG2 3.68Å; I300-I333 HydrophobicContact CD1-CD1 4.36Å; V328-I333 HydrophobicContact CG1-CG1 4.13Å; V328-I333 HydrophobicContact CG1-CG2 4.49Å; I333-T335 HydrophobicContact CG2-CG2 4.08Å; I333-I344 CarbonylContact O-C 3.58Å; I333-I344 VanDerWaalsContact O-CA 3.3Å; I333-I344 WeakPolarHBondContact O-CA 3.24Å; I333-Y345 PolarHBondContact N-O 2.94Å; I333-Y345 PolarHBondContact O-N 2.93Å; I333-P347 HydrophobicContact CD1-CB 3.89Å; I333-P347 HydrophobicContact CD1-CG 4.33Å; I333-P347 HydrophobicContact CG1-CG 4.48Å
334L95.8Very high93.1Very high0 Ų025.2 Ų25.20%013%0.129CC..EExtended strand (participates in β ladder)trans-82.6138.6172.8-173.966.9000109.2A326 D327 I342 R343 I344 V368 W370 F378A326-L334 CarbonylContact C-O 3.35Å; A326-L334 WeakPolarHBondContact CA-O 3.2Å; A326-L334 WeakPolarHBondContact CB-O 3.43Å; D327-L334 PolarHBondContact N-O 2.93Å; D327-L334 WeakPolarHBondContact O-CB 3.47Å; D327-L334 PolarHBondContact O-N 3.38Å; L334-I342 HydrophobicContact CD1-CG2 3.3Å; L334-I342 HydrophobicContact CG-CG2 4.09Å; L334-R343 CarbonylContact C-O 3.54Å; L334-R343 WeakPolarHBondContact CA-O 3.3Å; L334-I344 HydrophobicContact CD1-CG1 3.78Å; L334-V368 HydrophobicContact CD2-CB 3.75Å; L334-V368 HydrophobicContact CD2-CG1 4.23Å; L334-V368 HydrophobicContact CD2-CG2 4.27Å; L334-V368 HydrophobicContact CG-CB 4.05Å; L334-V368 HydrophobicContact CG-CG1 4.31Å; L334-V368 HydrophobicContact CG-CG2 4.16Å; L334-W370 HydrophobicContact CB-CZ2 3.76Å; L334-W370 VanDerWaalsContact CB-NE1 3.29Å; L334-W370 HydrophobicContact CD1-CZ2 4.17Å; L334-W370 HydrophobicContact CD2-CD2 4.15Å; L334-W370 HydrophobicContact CD2-CG 4.41Å; L334-W370 HydrophobicContact CD2-CZ2 4.36Å; L334-W370 HydrophobicContact CG-CZ2 4.34Å; L334-F378 HydrophobicContact CD1-CD1 4.31Å; L334-F378 HydrophobicContact CD1-CD2 4.05Å; L334-F378 HydrophobicContact CD1-CE1 4.31Å; L334-F378 HydrophobicContact CD1-CE2 4.05Å; L334-F378 HydrophobicContact CD1-CG 4.18Å; L334-F378 HydrophobicContact CD1-CZ 4.17Å; L334-F378 HydrophobicContact CD2-CB 3.53Å; L334-F378 HydrophobicContact CD2-CD1 4.34Å; L334-F378 HydrophobicContact CD2-CD2 3.66Å; L334-F378 HydrophobicContact CD2-CE2 4.45Å; L334-F378 HydrophobicContact CD2-CG 3.59Å; L334-F378 HydrophobicContact CG-CD2 4.47Å
335T96.4Very high92.9Very high0 Ų023.4 Ų23.40%012%0.12CC..EExtended strand (participates in β ladder)trans-136.8139.4179.355.10000112.6L298 L323 D325 A326 I333 I342 R343 Y345L298-T335 HydrophobicContact CD2-CG2 3.46Å; L298-T335 VanDerWaalsContact CD2-CG2 3.46Å; L298-T335 HydrophobicContact CG-CG2 4.42Å; L323-T335 HydrophobicContact CD1-CG2 4.38Å; D325-T335 WeakPolarHBondContact O-CA 3.18Å; A326-T335 HydrophobicContact CB-CG2 4.24Å; I333-T335 HydrophobicContact CG2-CG2 4.08Å; T335-I342 WeakPolarHBondContact O-CA 3.42Å; T335-R343 PolarHBondContact N-O 3.49Å; T335-R343 PolarHBondContact O-N 2.87Å; T335-R343 VanDerWaalsContact O-N 3.1Å; T335-R343 PolarHBondContact OG1-O 2.97Å; T335-R343 VanDerWaalsContact OG1-O 3.13Å; T335-Y345 HydrophobicContact CG2-CD2 4.04Å; T335-Y345 HydrophobicContact CG2-CE2 3.96Å; T335-Y345 WeakPolarHBondContact OG1-CE2 3.2Å
336A96.2Very high92.4Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-95.4124.216700000109.2L323 H324 D325 L365 V368L323-A336 CarbonylContact C-O 3.58Å; L323-A336 WeakPolarHBondContact CA-O 3.24Å; H324-A336 PolarHBondContact N-O 3.47Å; D325-A336 HydrophobicContact CB-CB 3.88Å; D325-A336 PolarHBondContact O-N 3.46Å; A336-L365 HydrophobicContact CB-CB 3.54Å; A336-V368 HydrophobicContact CB-CG1 3.95Å; A336-V368 HydrophobicContact CB-CG2 3.97Å
337S93.8Very high91.6Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-126161.8-179.367.10000113.5A322 D339 N340 C341 R343A322-S337 WeakPolarHBondContact O-CA 3.4Å; S337-D339 PolarHBondContact O-N 3.43Å; S337-D339 PolarHBondContact OG-OD1 2.82Å; S337-N340 PolarHBondContact O-N 3.44Å; S337-C341 PolarHBondContact OG-O 2.78Å; S337-R343 PolarHBondContact OG-NH1 2.85Å
338S93.9Very high90.9Very high31 Ų3128 Ų2822%0.21714%0.136CC..THydrogen-bonded Turntrans-69.1-10.7-17646.20000114.9A322 N340 W364A322-S338 PolarHBondContact N-OG 3.31Å; A322-S338 PolarHBondContact O-N 3.31Å; A322-S338 PolarHBondContact O-OG 3.11Å; S338-N340 PolarHBondContact O-N 3.15Å; S338-W364 PolarHBondContact O-NE1 3.25Å
339D93.2Very high90.3Very high43 Ų4328.1 Ų28.123%0.2314%0.139CC..THydrogen-bonded Turntrans-91.115.9175.474.4-12.9000113.1H321 S337 C341 R343H321-D339 IonicContact CD2-OD2 2.66Å; H321-D339 PolarHBondContact CD2-OD2 2.79Å; H321-D339 IonicContact CG-OD2 3.68Å; H321-D339 IonicContact NE2-OD2 2.97Å; H321-D339 PolarHBondContact NE2-OD2 2.91Å; S337-D339 PolarHBondContact O-N 3.43Å; S337-D339 PolarHBondContact OG-OD1 2.82Å; D339-C341 PolarHBondContact O-N 2.95Å; D339-C341 VanDerWaalsContact O-N 3.12Å; D339-C341 VanDerWaalsContact OD1-CB 3.29Å; D339-C341 WeakPolarHBondContact OD1-CB 3.3Å; D339-C341 PolarHBondContact OD1-N 2.65Å; D339-R343 VanDerWaalsContact CG-NH1 3.31Å; D339-R343 IonicContact OD1-CZ 3.07Å; D339-R343 IonicContact OD1-NH1 3.75Å; D339-R343 PolarHBondContact OD1-NH1 3.14Å; D339-R343 IonicContact OD1-NH2 3.14Å; D339-R343 IonicContact OD2-CZ 3.01Å; D339-R343 VanDerWaalsContact OD2-CZ 3.24Å; D339-R343 IonicContact OD2-NH1 2.58Å; D339-R343 PolarHBondContact OD2-NH1 2.88Å; D339-R343 IonicContact OD2-NH2 2.78Å; D339-R343 PolarHBondContact OD2-NH2 3.3Å
340N94.1Very high89.4Confident38 Ų3836 Ų3620%0.20318%0.175CC..SBendtrans64.410.7179.9-44.2-16.6000114.1S337 S338 H361 T362 G363 W364S337-N340 PolarHBondContact O-N 3.44Å; S338-N340 PolarHBondContact O-N 3.15Å; N340-H361 HydrophobicContact CB-CB 4.42Å; N340-H361 WeakPolarHBondContact CB-O 3.49Å; N340-T362 PolarHBondContact ND2-O 3.22Å; N340-G363 VanDerWaalsContact CG-O 3.22Å; N340-G363 PolarHBondContact ND2-N 2.9Å; N340-G363 PolarHBondContact OD1-O 3.3Å; N340-W364 WeakPolarHBondContact OD1-CA 3.48Å; N340-W364 PolarHBondContact OD1-N 2.95Å
341C93.9Very high89.2Confident13 Ų1332.2 Ų32.29%0.08816%0.161CC..  trans-102.5133.1177.1-59.90000110.7S337 D339 L365S337-C341 PolarHBondContact OG-O 2.78Å; D339-C341 PolarHBondContact O-N 2.95Å; D339-C341 VanDerWaalsContact O-N 3.12Å; D339-C341 VanDerWaalsContact OD1-CB 3.29Å; D339-C341 WeakPolarHBondContact OD1-CB 3.3Å; D339-C341 PolarHBondContact OD1-N 2.65Å; C341-L365 VanDerWaalsContact O-CD1 3.25Å; C341-L365 WeakPolarHBondContact O-CD1 3.48Å
342I96Very high88.5Confident1 Ų131.8 Ų31.81%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-89.7135.8171.1-56.3161.4000107.2L334 T335 G357 F358 L365 V368 F378 S380 W390L334-I342 HydrophobicContact CD1-CG2 3.3Å; L334-I342 HydrophobicContact CG-CG2 4.09Å; T335-I342 WeakPolarHBondContact O-CA 3.42Å; I342-G357 CarbonylContact O-C 3.52Å; I342-G357 VanDerWaalsContact O-CA 3.29Å; I342-G357 WeakPolarHBondContact O-CA 3.45Å; I342-F358 HydrophobicContact CB-CB 4.16Å; I342-F358 HydrophobicContact CB-CD2 4.2Å; I342-F358 HydrophobicContact CG2-CD2 4.21Å; I342-F358 PolarHBondContact N-O 2.87Å; I342-F358 VanDerWaalsContact N-O 3.07Å; I342-F358 PolarHBondContact O-N 3.2Å; I342-L365 HydrophobicContact CB-CD1 4.35Å; I342-L365 HydrophobicContact CD1-CD2 4.03Å; I342-L365 HydrophobicContact CG1-CD1 3.43Å; I342-L365 VanDerWaalsContact CG1-CD1 3.43Å; I342-L365 HydrophobicContact CG1-CD2 3.76Å; I342-L365 HydrophobicContact CG1-CG 4.24Å; I342-V368 HydrophobicContact CG1-CG1 4.39Å; I342-V368 HydrophobicContact CG2-CG1 4.19Å; I342-F378 HydrophobicContact CB-CE2 4.44Å; I342-F378 HydrophobicContact CD1-CE2 3.87Å; I342-F378 HydrophobicContact CG2-CD2 4.47Å; I342-F378 HydrophobicContact CG2-CE2 3.71Å; I342-F378 HydrophobicContact CG2-CZ 4.14Å; I342-S380 VanDerWaalsContact CD1-CB 3.49Å; I342-S380 WeakPolarHBondContact CD1-OG 3.4Å; I342-W390 HydrophobicContact CD1-CD2 4.4Å; I342-W390 HydrophobicContact CD1-CZ2 4.01Å
343R94.8Very high87.6Confident40 Ų4036 Ų3615%0.15119%0.191CC..EExtended strand (participates in β ladder)trans-129.6145.3-178.3-67.7177.6175.2822.6111.6L334 T335 S337 D339 Y345 V354 S356L334-R343 CarbonylContact C-O 3.54Å; L334-R343 WeakPolarHBondContact CA-O 3.3Å; T335-R343 PolarHBondContact N-O 3.49Å; T335-R343 PolarHBondContact O-N 2.87Å; T335-R343 VanDerWaalsContact O-N 3.1Å; T335-R343 PolarHBondContact OG1-O 2.97Å; T335-R343 VanDerWaalsContact OG1-O 3.13Å; S337-R343 PolarHBondContact OG-NH1 2.85Å; D339-R343 VanDerWaalsContact CG-NH1 3.31Å; D339-R343 IonicContact OD1-CZ 3.07Å; D339-R343 IonicContact OD1-NH1 3.75Å; D339-R343 PolarHBondContact OD1-NH1 3.14Å; D339-R343 IonicContact OD1-NH2 3.14Å; D339-R343 IonicContact OD2-CZ 3.01Å; D339-R343 VanDerWaalsContact OD2-CZ 3.24Å; D339-R343 IonicContact OD2-NH1 2.58Å; D339-R343 PolarHBondContact OD2-NH1 2.88Å; D339-R343 IonicContact OD2-NH2 2.78Å; D339-R343 PolarHBondContact OD2-NH2 3.3Å; R343-Y345 HydrophobicContact CB-CE2 3.9Å; R343-Y345 WeakPolarHBondContact CD-OH 3.18Å; R343-V354 HydrophobicContact CB-CG1 4.06Å; R343-V354 HydrophobicContact CG-CG1 3.95Å; R343-S356 WeakPolarHBondContact CA-O 3.25Å
344I94.5Very high86.7Confident5 Ų539 Ų393%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-110.2124.6169.9-58165.7000108.6I333 L334 L355 S356 F358 W370 T392I333-I344 CarbonylContact O-C 3.58Å; I333-I344 VanDerWaalsContact O-CA 3.3Å; I333-I344 WeakPolarHBondContact O-CA 3.24Å; L334-I344 HydrophobicContact CD1-CG1 3.78Å; I344-L355 HydrophobicContact CB-CB 4.43Å; I344-L355 HydrophobicContact CG2-CB 4.45Å; I344-L355 HydrophobicContact CG2-CD1 4.04Å; I344-L355 PolarHBondContact O-N 2.85Å; I344-S356 PolarHBondContact N-O 2.81Å; I344-S356 VanDerWaalsContact N-O 3.12Å; I344-F358 HydrophobicContact CD1-CE2 3.55Å; I344-F358 HydrophobicContact CD1-CZ 3.8Å; I344-F358 HydrophobicContact CG1-CE2 3.96Å; I344-W370 HydrophobicContact CD1-CH2 3.67Å; I344-W370 HydrophobicContact CD1-CZ2 4.13Å; I344-W370 HydrophobicContact CG1-CH2 4.18Å; I344-W370 HydrophobicContact CG1-CZ2 4.13Å; I344-T392 HydrophobicContact CD1-CG2 3.59Å
345Y92.1Very high85.8Confident6 Ų643.2 Ų43.22%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-104.5140.4173.2-62.8-87.6000110.4L298 I317 G332 I333 T335 R343 P347 V354L298-Y345 HydrophobicContact CD1-CE2 4.2Å; L298-Y345 HydrophobicContact CD2-CD2 3.93Å; L298-Y345 HydrophobicContact CD2-CE2 4.22Å; I317-Y345 HydrophobicContact CG2-CD1 3.83Å; I317-Y345 HydrophobicContact CG2-CE1 4.08Å; I317-Y345 HydrophobicContact CG2-CG 4.42Å; G332-Y345 WeakPolarHBondContact CA-O 3.43Å; I333-Y345 PolarHBondContact N-O 2.94Å; I333-Y345 PolarHBondContact O-N 2.93Å; T335-Y345 HydrophobicContact CG2-CD2 4.04Å; T335-Y345 HydrophobicContact CG2-CE2 3.96Å; T335-Y345 WeakPolarHBondContact OG1-CE2 3.2Å; R343-Y345 HydrophobicContact CB-CE2 3.9Å; R343-Y345 WeakPolarHBondContact CD-OH 3.18Å; Y345-P347 WeakPolarHBondContact O-CD 3.24Å; Y345-V354 HydrophobicContact CD1-CG2 4.23Å; Y345-V354 HydrophobicContact CE1-CG2 3.59Å
346D87.4Confident85.1Confident23 Ų2345 Ų4512%0.12324%0.244CC..  trans-89113.2166.6-164.3-30.8000109.4R348 A349 L355D346-R348 PolarHBondContact O-N 2.8Å; D346-R348 VanDerWaalsContact O-N 3.08Å; D346-R348 VanDerWaalsContact OD1-CB 3.24Å; D346-R348 WeakPolarHBondContact OD1-CB 3.38Å; D346-R348 WeakPolarHBondContact OD1-CG 3.44Å; D346-R348 IonicContact OD1-CZ 3.77Å; D346-R348 PolarHBondContact OD1-N 3.11Å; D346-R348 IonicContact OD1-NE 3.33Å; D346-R348 PolarHBondContact OD1-NE 2.82Å; D346-R348 IonicContact OD1-NH2 2.6Å; D346-R348 IonicContact OD2-CZ 3.63Å; D346-R348 IonicContact OD2-NE 3.89Å; D346-R348 PolarHBondContact OD2-NE 2.63Å; D346-R348 IonicContact OD2-NH2 3.25Å; D346-R348 PolarHBondContact OD2-NH2 3.03Å; D346-A349 HydrophobicContact CB-CB 4.03Å; D346-A349 PolarHBondContact O-N 2.84Å; D346-L355 HydrophobicContact CB-CD1 3.94Å; D346-L355 HydrophobicContact CB-CD2 4.11Å; D346-L355 HydrophobicContact CB-CG 4.06Å
347P80.1Confident84.7Confident4 Ų446.9 Ų46.93%0.02626%0.263CS..THydrogen-bonded Turntrans-65.9-9.3177.829-35.6000113.5L276 M282 I300 R315 I333 Y345L276-P347 HydrophobicContact CD2-CB 4.24Å; L276-P347 VanDerWaalsContact CD2-O 3.24Å; L276-P347 WeakPolarHBondContact CD2-O 3.3Å; M282-P347 HydrophobicContact CE-CG 4.02Å; I300-P347 HydrophobicContact CD1-CB 3.65Å; R315-P347 VanDerWaalsContact CD-O 3.3Å; R315-P347 WeakPolarHBondContact CD-O 3.17Å; R315-P347 PolarHBondContact NH1-O 2.65Å; I333-P347 HydrophobicContact CD1-CB 3.89Å; I333-P347 HydrophobicContact CD1-CG 4.33Å; I333-P347 HydrophobicContact CG1-CG 4.48Å; Y345-P347 WeakPolarHBondContact O-CD 3.24Å
348R80.5Confident84.6Confident116 Ų11646.9 Ų46.944%0.43826%0.263SS..THydrogen-bonded Turntrans-95-21.9-179.7-53.2167.5-68.4-1752.7113.6L276 G280 M282 D346L276-R348 HydrophobicContact CD1-CB 4.34Å; L276-R348 HydrophobicContact CD1-CG 3.63Å; G280-R348 WeakPolarHBondContact O-CB 3.33Å; G280-R348 WeakPolarHBondContact O-CD 3.39Å; G280-R348 WeakPolarHBondContact O-CG 3.17Å; M282-R348 HydrophobicContact CG-CG 4.34Å; D346-R348 PolarHBondContact O-N 2.8Å; D346-R348 VanDerWaalsContact O-N 3.08Å; D346-R348 VanDerWaalsContact OD1-CB 3.24Å; D346-R348 WeakPolarHBondContact OD1-CB 3.38Å; D346-R348 WeakPolarHBondContact OD1-CG 3.44Å; D346-R348 IonicContact OD1-CZ 3.77Å; D346-R348 PolarHBondContact OD1-N 3.11Å; D346-R348 IonicContact OD1-NE 3.33Å; D346-R348 PolarHBondContact OD1-NE 2.82Å; D346-R348 IonicContact OD1-NH2 2.6Å; D346-R348 IonicContact OD2-CZ 3.63Å; D346-R348 IonicContact OD2-NE 3.89Å; D346-R348 PolarHBondContact OD2-NE 2.63Å; D346-R348 IonicContact OD2-NH2 3.25Å; D346-R348 PolarHBondContact OD2-NH2 3.03Å
349A78.6Confident84.5Confident21 Ų2151.9 Ų51.917%0.17428%0.283CS..SBendtrans-74.6128.7-173.600000111.1R315 D346 A351 L353R315-A349 PolarHBondContact NH1-O 2.76Å; R315-A349 PolarHBondContact NH2-O 2.69Å; D346-A349 HydrophobicContact CB-CB 4.03Å; D346-A349 PolarHBondContact O-N 2.84Å; A349-A351 VanDerWaalsContact C-N 3.32Å; A349-A351 PolarHBondContact O-N 2.89Å; A349-L353 HydrophobicContact CB-CB 4.26Å; A349-L353 HydrophobicContact CB-CD1 3.85Å
350E68.9Low84.3Confident192 Ų19251.8 Ų51.890%0.89729%0.292SS*.SBendtrans-54.4-42.1-172.9-70-170.9164.400114R315R315-E350 PolarHBondContact NH2-O 3.14Å
351A75.9Confident84.3Confident47 Ų4750.6 Ų50.639%0.38829%0.285SS..SBendtrans-89.6154.3173.200000111.3A349 L353A349-A351 VanDerWaalsContact C-N 3.32Å; A349-A351 PolarHBondContact O-N 2.89Å; A351-L353 HydrophobicContact CB-CD1 4.09Å; A351-L353 HydrophobicContact CB-CG 4.16Å; A351-L353 PolarHBondContact O-N 2.91Å
352P68.8Low84.3Confident81 Ų8155.7 Ų55.753%0.52632%0.316SS..  trans-65.780.7170.829.3-35.2000109.8I317I317-P352 HydrophobicContact CG2-CB 3.78Å
353L70.4Confident84.2Confident95 Ų9556.1 Ų56.150%0.49732%0.321SS..  trans-94115.9-177.1-81.2151.7000108.8A349 A351 L355A349-L353 HydrophobicContact CB-CB 4.26Å; A349-L353 HydrophobicContact CB-CD1 3.85Å; A351-L353 HydrophobicContact CB-CD1 4.09Å; A351-L353 HydrophobicContact CB-CG 4.16Å; A351-L353 PolarHBondContact O-N 2.91Å; L353-L355 PolarHBondContact O-N 2.81Å
354V74.8Confident84.1Confident64 Ų6461.2 Ų61.239%0.38834%0.34SS..EExtended strand (participates in β ladder)trans-74111.4164.7178.90000106.9R343 Y345 S356R343-V354 HydrophobicContact CB-CG1 4.06Å; R343-V354 HydrophobicContact CG-CG1 3.95Å; Y345-V354 HydrophobicContact CD1-CG2 4.23Å; Y345-V354 HydrophobicContact CE1-CG2 3.59Å; V354-S356 VanDerWaalsContact C-N 3.34Å; V354-S356 WeakPolarHBondContact CG1-O 3.34Å
355L77.4Confident84.3Confident88 Ų8861 Ų6146%0.46134%0.339SS..EExtended strand (participates in β ladder)trans-66.7-39.5177.3-68.7-178.2000111.3I344 D346 L353I344-L355 HydrophobicContact CB-CB 4.43Å; I344-L355 HydrophobicContact CG2-CB 4.45Å; I344-L355 HydrophobicContact CG2-CD1 4.04Å; I344-L355 PolarHBondContact O-N 2.85Å; D346-L355 HydrophobicContact CB-CD1 3.94Å; D346-L355 HydrophobicContact CB-CD2 4.11Å; D346-L355 HydrophobicContact CB-CG 4.06Å; L353-L355 PolarHBondContact O-N 2.81Å
356S81.1Confident84.5Confident38 Ų3862.2 Ų62.227%0.26635%0.347SS..EExtended strand (participates in β ladder)trans-158.4145.1-178.3-66.30000110.2R343 I344 V354R343-S356 WeakPolarHBondContact CA-O 3.25Å; I344-S356 PolarHBondContact N-O 2.81Å; I344-S356 VanDerWaalsContact N-O 3.12Å; V354-S356 VanDerWaalsContact C-N 3.34Å; V354-S356 WeakPolarHBondContact CG1-O 3.34Å
357G87.7Confident84.9Confident38 Ų3861.1 Ų61.139%0.39234%0.341SS..EExtended strand (participates in β ladder)trans-119.1135.6171.900000109.9I342I342-G357 CarbonylContact O-C 3.52Å; I342-G357 VanDerWaalsContact O-CA 3.29Å; I342-G357 WeakPolarHBondContact O-CA 3.45Å
358F93.3Very high85.7Confident1 Ų161 Ų610%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-115.5124179.5-49.8-99.4000109.1I342 I344 F378 W390 T392 P395I342-F358 HydrophobicContact CB-CB 4.16Å; I342-F358 HydrophobicContact CB-CD2 4.2Å; I342-F358 HydrophobicContact CG2-CD2 4.21Å; I342-F358 PolarHBondContact N-O 2.87Å; I342-F358 VanDerWaalsContact N-O 3.07Å; I342-F358 PolarHBondContact O-N 3.2Å; I344-F358 HydrophobicContact CD1-CE2 3.55Å; I344-F358 HydrophobicContact CD1-CZ 3.8Å; I344-F358 HydrophobicContact CG1-CE2 3.96Å; F358-F378 HydrophobicContact CD1-CE1 4.46Å; F358-F378 AromaticContact CD1-CZ 3.91Å; F358-F378 HydrophobicContact CD1-CZ 3.91Å; F358-F378 HydrophobicContact CD2-CE1 4.33Å; F358-F378 AromaticContact CD2-CZ 3.62Å; F358-F378 HydrophobicContact CD2-CZ 3.62Å; F358-F378 HydrophobicContact CE1-CE1 4.1Å; F358-F378 HydrophobicContact CE1-CZ 4Å; F358-F378 AromaticContact CE2-CE1 3.98Å; F358-F378 HydrophobicContact CE2-CE1 3.98Å; F358-F378 AromaticContact CE2-CZ 3.73Å; F358-F378 HydrophobicContact CE2-CZ 3.73Å; F358-F378 AromaticContact CG-CZ 3.75Å; F358-F378 HydrophobicContact CG-CZ 3.75Å; F358-F378 AromaticContact CZ-CE1 3.87Å; F358-F378 HydrophobicContact CZ-CE1 3.87Å; F358-F378 AromaticContact CZ-CZ 3.94Å; F358-F378 HydrophobicContact CZ-CZ 3.94Å; F358-W390 HydrophobicContact CB-CD2 4.37Å; F358-W390 HydrophobicContact CB-CE3 3.86Å; F358-W390 HydrophobicContact CB-CH2 4.46Å; F358-W390 HydrophobicContact CB-CZ3 3.91Å; F358-W390 HydrophobicContact CD1-CE3 4.06Å; F358-W390 HydrophobicContact CG-CE3 4.34Å; F358-T392 HydrophobicContact CZ-CG2 4.31Å; F358-P395 HydrophobicContact CD1-CB 4.29Å; F358-P395 HydrophobicContact CE1-CB 4.11Å
359Q91.8Very high86.4Confident136 Ų13655.8 Ų55.864%0.63632%0.322SS*.  trans-115.1145.1-179.2-68.1-178.6-11.400109.6W390Q359-W390 WeakPolarHBondContact O-CH2 3.23Å
360G88.7Confident87.2Confident41 Ų4155.3 Ų55.342%0.42332%0.316SS..  trans159.2-26.1176.800000113.2R388G360-R388 PolarHBondContact O-NH1 2.59Å
361H93.8Very high88.3Confident13 Ų1346.4 Ų46.46%0.0628%0.275CS..  trans-70.6142.9169.6-77.6-75.5000112N340 L365 S380 S382 D384 S386 R388 W390N340-H361 HydrophobicContact CB-CB 4.42Å; N340-H361 WeakPolarHBondContact CB-O 3.49Å; H361-L365 HydrophobicContact CB-CD2 4.1Å; H361-L365 WeakPolarHBondContact CD2-CD2 3.35Å; H361-S380 PolarHBondContact NE2-OG 2.96Å; H361-S382 WeakPolarHBondContact ND1-CB 3.36Å; H361-D384 VanDerWaalsContact CA-OD2 3.31Å; H361-D384 WeakPolarHBondContact CA-OD2 3.45Å; H361-D384 IonicContact CE1-OD1 2.71Å; H361-D384 IonicContact CG-OD2 2.67Å; H361-D384 IonicContact ND1-OD1 3.36Å; H361-D384 PolarHBondContact ND1-OD1 2.91Å; H361-D384 VanDerWaalsContact ND1-OD1 3.15Å; H361-D384 IonicContact ND1-OD2 3.07Å; H361-D384 PolarHBondContact ND1-OD2 2.97Å; H361-S386 PolarHBondContact CE1-OG 2.83Å; H361-S386 PolarHBondContact ND1-OG 3.44Å; H361-R388 PolarHBondContact CE1-NH1 3.35Å; H361-R388 PolarHBondContact ND1-NH1 2.77Å; H361-W390 AromaticContact CD2-CZ2 3.8Å
362T94Very high88.8Confident119 Ų11947.9 Ų47.973%0.7328%0.28SS*.SBendtrans-103.6-2-179.357.40000113N340 D384N340-T362 PolarHBondContact ND2-O 3.22Å; T362-D384 PolarHBondContact N-OD2 3.33Å; T362-D384 WeakPolarHBondContact OG1-CB 3.36Å
363G94Very high89.5Confident10 Ų1046.7 Ų46.710%0.10327%0.268CS..SBendtrans-140.3171.8175.200000111.6N340 L365 S382N340-G363 VanDerWaalsContact CG-O 3.22Å; N340-G363 PolarHBondContact ND2-N 2.9Å; N340-G363 PolarHBondContact OD1-O 3.3Å; G363-L365 PolarHBondContact O-N 3.27Å; G363-S382 VanDerWaalsContact C-OG 3.31Å; G363-S382 PolarHBondContact O-OG 3.08Å
364W93.4Very high90.2Very high147 Ų14744.5 Ų44.556%0.55725%0.253SS*.  trans-51.4136.7-178.7-57.8-18.7000111.7S338 N340 S382 I383S338-W364 PolarHBondContact O-NE1 3.25Å; N340-W364 WeakPolarHBondContact OD1-CA 3.48Å; N340-W364 PolarHBondContact OD1-N 2.95Å; W364-S382 VanDerWaalsContact O-CA 3.29Å; W364-S382 WeakPolarHBondContact O-CA 3.37Å; W364-S382 WeakPolarHBondContact O-CB 3.24Å; W364-S382 PolarHBondContact O-OG 3.01Å; W364-I383 HydrophobicContact CB-CD1 3.79Å; W364-I383 HydrophobicContact CB-CG1 4.13Å; W364-I383 HydrophobicContact CD2-CD1 4.01Å; W364-I383 HydrophobicContact CE3-CD1 4.2Å; W364-I383 HydrophobicContact CG-CD1 3.83Å; W364-I383 VanDerWaalsContact N-CG1 3.31Å; W364-I383 PolarHBondContact O-N 2.67Å
365L96.8Very high90.9Very high0 Ų046.5 Ų46.50%026%0.258CS..EExtended strand (participates in β ladder)trans-76126.5173.9-65.3158.3000107.9H324 A336 C341 I342 H361 G363H324-L365 VanDerWaalsContact CB-O 3.23Å; H324-L365 WeakPolarHBondContact CB-O 3.43Å; H324-L365 PolarHBondContact CD2-O 2.62Å; H324-L365 VanDerWaalsContact CD2-O 3.22Å; A336-L365 HydrophobicContact CB-CB 3.54Å; C341-L365 VanDerWaalsContact O-CD1 3.25Å; C341-L365 WeakPolarHBondContact O-CD1 3.48Å; I342-L365 HydrophobicContact CB-CD1 4.35Å; I342-L365 HydrophobicContact CD1-CD2 4.03Å; I342-L365 HydrophobicContact CG1-CD1 3.43Å; I342-L365 VanDerWaalsContact CG1-CD1 3.43Å; I342-L365 HydrophobicContact CG1-CD2 3.76Å; I342-L365 HydrophobicContact CG1-CG 4.24Å; H361-L365 HydrophobicContact CB-CD2 4.1Å; H361-L365 WeakPolarHBondContact CD2-CD2 3.35Å; G363-L365 PolarHBondContact O-N 3.27Å
366T96.4Very high91.5Very high32 Ų3243.3 Ų43.320%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-98.5-33.7-179.350.20000111.4G381 S382 I383 V409T366-G381 PolarHBondContact N-O 2.82Å; T366-G381 VanDerWaalsContact OG1-C 3.24Å; T366-G381 PolarHBondContact OG1-O 3.44Å; T366-S382 PolarHBondContact OG1-N 3.47Å; T366-I383 HydrophobicContact CG2-CG2 3.54Å; T366-V409 VanDerWaalsContact CB-O 3.23Å; T366-V409 WeakPolarHBondContact CB-O 3.35Å; T366-V409 VanDerWaalsContact CG2-O 3.3Å; T366-V409 WeakPolarHBondContact CG2-O 3.4Å; T366-V409 PolarHBondContact OG1-O 3.01Å
367S96.6Very high92.1Very high0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-153.6152.7-176.9-176.80000113.8D325 S380 G381 D411 V412D325-S367 WeakPolarHBondContact OD2-CA 3.29Å; D325-S367 VanDerWaalsContact OD2-CB 3.25Å; D325-S367 WeakPolarHBondContact OD2-CB 3.34Å; D325-S367 PolarHBondContact OD2-OG 2.6Å; S367-S380 CarbonylContact O-C 3.55Å; S367-S380 VanDerWaalsContact O-CA 3.25Å; S367-S380 WeakPolarHBondContact O-CA 3.46Å; S367-G381 PolarHBondContact N-O 3.42Å; S367-G381 PolarHBondContact O-N 2.6Å; S367-D411 PolarHBondContact OG-OD1 2.91Å; S367-D411 VanDerWaalsContact OG-OD1 3.11Å; S367-V412 VanDerWaalsContact OG-CG2 3.31Å; S367-V412 WeakPolarHBondContact OG-CG2 3.46Å; S367-V412 PolarHBondContact OG-N 2.83Å
368V97Very high92.5Very high1 Ų139.7 Ų39.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-141.4145.1174.4-79.40000110.6D325 L334 A336 I342 V379D325-V368 HydrophobicContact CB-CG2 4.09Å; D325-V368 PolarHBondContact OD2-N 3.33Å; L334-V368 HydrophobicContact CD2-CB 3.75Å; L334-V368 HydrophobicContact CD2-CG1 4.23Å; L334-V368 HydrophobicContact CD2-CG2 4.27Å; L334-V368 HydrophobicContact CG-CB 4.05Å; L334-V368 HydrophobicContact CG-CG1 4.31Å; L334-V368 HydrophobicContact CG-CG2 4.16Å; A336-V368 HydrophobicContact CB-CG1 3.95Å; A336-V368 HydrophobicContact CB-CG2 3.97Å; I342-V368 HydrophobicContact CG1-CG1 4.39Å; I342-V368 HydrophobicContact CG2-CG1 4.19Å; V368-V379 VanDerWaalsContact CA-O 3.29Å; V368-V379 WeakPolarHBondContact CA-O 3.22Å
369A95.7Very high92.6Very high7 Ų739.7 Ų39.76%0.05821%0.21CC..EExtended strand (participates in β ladder)trans-149.7132.5174.900000111.8F378 V379 V412 W414A369-F378 CarbonylContact O-C 3.45Å; A369-F378 WeakPolarHBondContact O-CA 3.36Å; A369-F378 VanDerWaalsContact O-CB 3.29Å; A369-F378 WeakPolarHBondContact O-CB 3.31Å; A369-V379 HydrophobicContact CB-CG2 4.09Å; A369-V379 PolarHBondContact N-O 3.03Å; A369-V379 PolarHBondContact O-N 3.28Å; A369-V412 HydrophobicContact CB-CG2 4.34Å; A369-W414 VanDerWaalsContact O-CD1 3.23Å; A369-W414 PolarHBondContact O-NE1 3.06Å
370W94.2Very high92.9Very high12 Ų1233.2 Ų33.25%0.04518%0.18CC..EExtended strand (participates in β ladder)trans-71.6144.5174.1-75.4112.2000111.6D327 N329 R331 L334 I344 P372 Q375 Q377 F378 T392D327-W370 PolarHBondContact O-NE1 3.33Å; D327-W370 WeakPolarHBondContact OD2-CB 3.36Å; D327-W370 PolarHBondContact OD2-N 2.86Å; N329-W370 HydrophobicContact CB-CB 4.33Å; N329-W370 HydrophobicContact CB-CD2 4.18Å; N329-W370 HydrophobicContact CB-CG 3.88Å; N329-W370 VanDerWaalsContact CG-CD2 3.44Å; R331-W370 HydrophobicContact CB-CH2 4.24Å; R331-W370 HydrophobicContact CB-CZ2 4.48Å; L334-W370 HydrophobicContact CB-CZ2 3.76Å; L334-W370 VanDerWaalsContact CB-NE1 3.29Å; L334-W370 HydrophobicContact CD1-CZ2 4.17Å; L334-W370 HydrophobicContact CD2-CD2 4.15Å; L334-W370 HydrophobicContact CD2-CG 4.41Å; L334-W370 HydrophobicContact CD2-CZ2 4.36Å; L334-W370 HydrophobicContact CG-CZ2 4.34Å; I344-W370 HydrophobicContact CD1-CH2 3.67Å; I344-W370 HydrophobicContact CD1-CZ2 4.13Å; I344-W370 HydrophobicContact CG1-CH2 4.18Å; I344-W370 HydrophobicContact CG1-CZ2 4.13Å; W370-P372 WeakPolarHBondContact O-CD 3.36Å; W370-Q375 WeakPolarHBondContact CZ3-O 3.42Å; W370-Q377 VanDerWaalsContact CE3-O 3.3Å; W370-F378 HydrophobicContact CD2-CB 4.18Å; W370-F378 HydrophobicContact CE3-CB 3.77Å; W370-F378 HydrophobicContact CE3-CD1 4.08Å; W370-F378 HydrophobicContact CE3-CG 4.36Å; W370-F378 HydrophobicContact CH2-CD1 4.01Å; W370-F378 HydrophobicContact CZ3-CB 4.19Å; W370-F378 AromaticContact CZ3-CD1 3.59Å; W370-F378 HydrophobicContact CZ3-CD1 3.59Å; W370-F378 HydrophobicContact CZ3-CE1 4.46Å; W370-F378 HydrophobicContact CZ3-CG 4.3Å; W370-T392 HydrophobicContact CH2-CG2 3.57Å; W370-T392 HydrophobicContact CZ3-CG2 3.63Å
371A92.4Very high93.2Very high4 Ų431.2 Ų31.23%0.03316%0.16CC..  trans-73.4121.6171.600000109.9H373 R374 Q377 W414A371-H373 PolarHBondContact O-N 2.87Å; A371-R374 HydrophobicContact CB-CB 4.17Å; A371-R374 CarbonylContact O-C 3.56Å; A371-R374 PolarHBondContact O-N 3.26Å; A371-R374 VanDerWaalsContact O-O 3.09Å; A371-Q377 HydrophobicContact CB-CB 3.98Å; A371-Q377 VanDerWaalsContact CB-O 3.27Å; A371-Q377 WeakPolarHBondContact CB-O 3.48Å; A371-Q377 PolarHBondContact N-O 2.48Å; A371-W414 HydrophobicContact CB-CD2 4Å; A371-W414 HydrophobicContact CB-CE3 4.21Å; A371-W414 HydrophobicContact CB-CH2 3.82Å; A371-W414 HydrophobicContact CB-CZ2 3.55Å; A371-W414 HydrophobicContact CB-CZ3 4.16Å
372P85.8Confident93.4Very high78 Ų7830.6 Ų30.651%0.50616%0.157SC..THydrogen-bonded Turntrans-69-21.4-174.325.2-34.7000113.5W370 W414W370-P372 WeakPolarHBondContact O-CD 3.36Å; P372-W414 HydrophobicContact CG-CB 4.28Å
373H83.8Confident93.5Very high57 Ų5727.8 Ų27.826%0.26414%0.137SC..THydrogen-bonded Turntrans-102.4-11.5-177.564.5-65.8000113.2A371 W414 H428 Y444A371-H373 PolarHBondContact O-N 2.87Å; H373-W414 AromaticContact CE1-CZ3 3.48Å; H373-W414 VanDerWaalsContact CE1-CZ3 3.48Å; H373-W414 WeakPolarHBondContact CE1-CZ3 3.39Å; H373-H428 WeakPolarHBondContact CB-CE1 3.24Å; H373-H428 WeakPolarHBondContact CB-NE2 3.26Å; H373-H428 AromaticContact CD2-CD2 3.49Å; H373-H428 PolarHBondContact CD2-CD2 2.87Å; H373-H428 VanDerWaalsContact CD2-CD2 3.49Å; H373-H428 AromaticContact CD2-CG 3.96Å; H373-H428 AromaticContact CD2-NE2 3.65Å; H373-H428 AromaticContact CE1-CG 3.73Å; H373-H428 AromaticContact CG-CD2 3.55Å; H373-H428 AromaticContact CG-CE1 3.47Å; H373-H428 VanDerWaalsContact CG-CE1 3.47Å; H373-H428 AromaticContact CG-CG 3.75Å; H373-H428 AromaticContact CG-ND1 3.71Å; H373-H428 AromaticContact CG-NE2 3.37Å; H373-H428 AromaticContact ND1-CD2 3.85Å; H373-H428 AromaticContact ND1-CE1 3.74Å; H373-H428 AromaticContact ND1-CG 3.56Å; H373-H428 AromaticContact ND1-ND1 3.5Å; H373-H428 AromaticContact ND1-NE2 3.96Å; H373-H428 AromaticContact NE2-CD2 3.85Å; H373-Y444 AromaticContact CE1-CD1 3.79Å; H373-Y444 AromaticContact NE2-CD1 3.6Å; H373-Y444 AromaticContact NE2-CE1 3.7Å
374R86.5Confident93.6Very high48 Ų4828.8 Ų28.818%0.18114%0.14CC..  trans-136.1102.4-179.5-69.8178.7-157.5-103.423.8109Q89 A371 D376 Q377 P445 E446Q89-R374 VanDerWaalsContact NE2-CZ 3.28Å; A371-R374 HydrophobicContact CB-CB 4.17Å; A371-R374 CarbonylContact O-C 3.56Å; A371-R374 PolarHBondContact O-N 3.26Å; A371-R374 VanDerWaalsContact O-O 3.09Å; R374-D376 PolarHBondContact O-N 3.41Å; R374-Q377 HydrophobicContact CB-CB 4.14Å; R374-Q377 HydrophobicContact CB-CG 4.24Å; R374-Q377 PolarHBondContact O-N 3.16Å; R374-Q377 VanDerWaalsContact O-N 3.1Å; R374-P445 PolarHBondContact NH2-O 3.28Å; R374-E446 VanDerWaalsContact NH2-C 3.26Å; R374-E446 PolarHBondContact NH2-OXT 2.81Å
375Q87.7Confident93.7Very high107 Ų10728 Ų2850%0.514%0.136SC..THydrogen-bonded Turntrans-55.8-23.2-179.470.3-178.816.200114.3N329 R331 W370N329-Q375 PolarHBondContact ND2-O 2.86Å; N329-Q375 VanDerWaalsContact ND2-O 3.09Å; R331-Q375 HydrophobicContact CG-CB 4.47Å; R331-Q375 VanDerWaalsContact CG-O 3.3Å; R331-Q375 WeakPolarHBondContact CG-O 3.36Å; W370-Q375 WeakPolarHBondContact CZ3-O 3.42Å
376D90.6Very high93.7Very high20 Ų2028.1 Ų28.111%0.10714%0.137CC..THydrogen-bonded Turntrans-95.81.9-174.3-64.5-41000113.2R331 R374 D391 T392 R393R331-D376 IonicContact CZ-OD1 3.86Å; R331-D376 IonicContact NE-OD1 3.4Å; R331-D376 PolarHBondContact NE-OD1 2.83Å; R331-D376 IonicContact NH2-OD1 3.04Å; R331-D376 PolarHBondContact NH2-OD1 2.75Å; R331-D376 IonicContact NH2-OD2 3.93Å; R331-D376 PolarHBondContact NH2-OD2 2.97Å; R374-D376 PolarHBondContact O-N 3.41Å; D376-D391 CarbonylContact O-C 3.48Å; D376-D391 VanDerWaalsContact O-CA 3.29Å; D376-D391 WeakPolarHBondContact O-CA 3.25Å; D376-T392 WeakPolarHBondContact CB-OG1 3.05Å; D376-T392 WeakPolarHBondContact O-CG2 3.44Å; D376-T392 PolarHBondContact O-N 2.87Å; D376-T392 PolarHBondContact O-OG1 2.86Å; D376-T392 PolarHBondContact OD1-OG1 3.24Å; D376-R393 HydrophobicContact CB-CG 4.49Å; D376-R393 IonicContact OD2-NE 2.82Å
377Q93.5Very high93.7Very high1 Ų126.6 Ų26.61%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-126147-173.4-64.6-170.3-8.600112.5W370 A371 R374 L389 W390 D391 Y444W370-Q377 VanDerWaalsContact CE3-O 3.3Å; A371-Q377 HydrophobicContact CB-CB 3.98Å; A371-Q377 VanDerWaalsContact CB-O 3.27Å; A371-Q377 WeakPolarHBondContact CB-O 3.48Å; A371-Q377 PolarHBondContact N-O 2.48Å; R374-Q377 HydrophobicContact CB-CB 4.14Å; R374-Q377 HydrophobicContact CB-CG 4.24Å; R374-Q377 PolarHBondContact O-N 3.16Å; R374-Q377 VanDerWaalsContact O-N 3.1Å; Q377-L389 HydrophobicContact CB-CD1 4.34Å; Q377-W390 VanDerWaalsContact CA-O 3.27Å; Q377-W390 WeakPolarHBondContact CA-O 3.28Å; Q377-W390 WeakPolarHBondContact CB-O 3.33Å; Q377-D391 HydrophobicContact CG-CB 4.44Å; Q377-D391 PolarHBondContact NE2-OD2 3.01Å; Q377-Y444 PolarHBondContact OE1-OH 3.42Å
378F95.6Very high93.7Very high0 Ų028 Ų280%013%0.133CC..EExtended strand (participates in β ladder)trans-151.4161.4178.159.5-88000110L334 I342 F358 A369 W370 L389 W390 T392L334-F378 HydrophobicContact CD1-CD1 4.31Å; L334-F378 HydrophobicContact CD1-CD2 4.05Å; L334-F378 HydrophobicContact CD1-CE1 4.31Å; L334-F378 HydrophobicContact CD1-CE2 4.05Å; L334-F378 HydrophobicContact CD1-CG 4.18Å; L334-F378 HydrophobicContact CD1-CZ 4.17Å; L334-F378 HydrophobicContact CD2-CB 3.53Å; L334-F378 HydrophobicContact CD2-CD1 4.34Å; L334-F378 HydrophobicContact CD2-CD2 3.66Å; L334-F378 HydrophobicContact CD2-CE2 4.45Å; L334-F378 HydrophobicContact CD2-CG 3.59Å; L334-F378 HydrophobicContact CG-CD2 4.47Å; I342-F378 HydrophobicContact CB-CE2 4.44Å; I342-F378 HydrophobicContact CD1-CE2 3.87Å; I342-F378 HydrophobicContact CG2-CD2 4.47Å; I342-F378 HydrophobicContact CG2-CE2 3.71Å; I342-F378 HydrophobicContact CG2-CZ 4.14Å; F358-F378 HydrophobicContact CD1-CE1 4.46Å; F358-F378 AromaticContact CD1-CZ 3.91Å; F358-F378 HydrophobicContact CD1-CZ 3.91Å; F358-F378 HydrophobicContact CD2-CE1 4.33Å; F358-F378 AromaticContact CD2-CZ 3.62Å; F358-F378 HydrophobicContact CD2-CZ 3.62Å; F358-F378 HydrophobicContact CE1-CE1 4.1Å; F358-F378 HydrophobicContact CE1-CZ 4Å; F358-F378 AromaticContact CE2-CE1 3.98Å; F358-F378 HydrophobicContact CE2-CE1 3.98Å; F358-F378 AromaticContact CE2-CZ 3.73Å; F358-F378 HydrophobicContact CE2-CZ 3.73Å; F358-F378 AromaticContact CG-CZ 3.75Å; F358-F378 HydrophobicContact CG-CZ 3.75Å; F358-F378 AromaticContact CZ-CE1 3.87Å; F358-F378 HydrophobicContact CZ-CE1 3.87Å; F358-F378 AromaticContact CZ-CZ 3.94Å; F358-F378 HydrophobicContact CZ-CZ 3.94Å; A369-F378 CarbonylContact O-C 3.45Å; A369-F378 WeakPolarHBondContact O-CA 3.36Å; A369-F378 VanDerWaalsContact O-CB 3.29Å; A369-F378 WeakPolarHBondContact O-CB 3.31Å; W370-F378 HydrophobicContact CD2-CB 4.18Å; W370-F378 HydrophobicContact CE3-CB 3.77Å; W370-F378 HydrophobicContact CE3-CD1 4.08Å; W370-F378 HydrophobicContact CE3-CG 4.36Å; W370-F378 HydrophobicContact CH2-CD1 4.01Å; W370-F378 HydrophobicContact CZ3-CB 4.19Å; W370-F378 AromaticContact CZ3-CD1 3.59Å; W370-F378 HydrophobicContact CZ3-CD1 3.59Å; W370-F378 HydrophobicContact CZ3-CE1 4.46Å; W370-F378 HydrophobicContact CZ3-CG 4.3Å; F378-L389 WeakPolarHBondContact O-CD1 3.35Å; F378-W390 HydrophobicContact CD1-CB 4.07Å; F378-W390 HydrophobicContact CD2-CB 3.85Å; F378-W390 AromaticContact CD2-CD1 3.66Å; F378-W390 AromaticContact CD2-CG 3.99Å; F378-W390 HydrophobicContact CD2-CG 3.99Å; F378-W390 HydrophobicContact CE1-CB 3.61Å; F378-W390 HydrophobicContact CE1-CG 4.44Å; F378-W390 HydrophobicContact CE2-CB 3.36Å; F378-W390 AromaticContact CE2-CD1 3.3Å; F378-W390 HydrophobicContact CE2-CD2 4.21Å; F378-W390 AromaticContact CE2-CG 3.33Å; F378-W390 HydrophobicContact CE2-CG 3.33Å; F378-W390 HydrophobicContact CG-CB 4.18Å; F378-W390 HydrophobicContact CZ-CB 3.24Å; F378-W390 HydrophobicContact CZ-CD2 4.38Å; F378-W390 AromaticContact CZ-CG 3.62Å; F378-W390 HydrophobicContact CZ-CG 3.62Å; F378-W390 PolarHBondContact N-O 3.27Å; F378-W390 PolarHBondContact O-N 3.21Å; F378-T392 HydrophobicContact CD1-CG2 4.18Å; F378-T392 HydrophobicContact CE1-CG2 3.94Å
379V96.5Very high93.6Very high0 Ų028 Ų280%013%0.133CC..EExtended strand (participates in β ladder)trans-113.2154.1173.1-64.90000110.1V368 A369 R388 L389 V412 W414 I430V368-V379 VanDerWaalsContact CA-O 3.29Å; V368-V379 WeakPolarHBondContact CA-O 3.22Å; A369-V379 HydrophobicContact CB-CG2 4.09Å; A369-V379 PolarHBondContact N-O 3.03Å; A369-V379 PolarHBondContact O-N 3.28Å; V379-R388 CarbonylContact C-O 3.56Å; V379-R388 WeakPolarHBondContact CA-O 3.43Å; V379-L389 HydrophobicContact CG1-CB 4.37Å; V379-L389 HydrophobicContact CG1-CD1 3.91Å; V379-V412 HydrophobicContact CG2-CB 3.97Å; V379-V412 HydrophobicContact CG2-CG2 3.79Å; V379-W414 HydrophobicContact CG1-CZ2 3.52Å; V379-I430 HydrophobicContact CB-CG2 4.41Å; V379-I430 HydrophobicContact CG1-CD1 3.79Å; V379-I430 HydrophobicContact CG1-CG1 4.05Å; V379-I430 HydrophobicContact CG1-CG2 3.87Å; V379-I430 HydrophobicContact CG2-CG2 4.33Å
380S97.1Very high93.6Very high0 Ų027.7 Ų27.70%013%0.13CC..EExtended strand (participates in β ladder)trans-134145.3171.5590000111.4I342 H361 S367 V387 R388 W390I342-S380 VanDerWaalsContact CD1-CB 3.49Å; I342-S380 WeakPolarHBondContact CD1-OG 3.4Å; H361-S380 PolarHBondContact NE2-OG 2.96Å; S367-S380 CarbonylContact O-C 3.55Å; S367-S380 VanDerWaalsContact O-CA 3.25Å; S367-S380 WeakPolarHBondContact O-CA 3.46Å; S380-V387 CarbonylContact O-C 3.57Å; S380-V387 VanDerWaalsContact O-CA 3.23Å; S380-V387 WeakPolarHBondContact O-CA 3.46Å; S380-R388 PolarHBondContact N-O 2.96Å; S380-R388 PolarHBondContact O-N 3.42Å; S380-W390 PolarHBondContact OG-NE1 2.82Å
381G96.8Very high93.6Very high0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-109.4152.4167.800000111T366 S367T366-G381 PolarHBondContact N-O 2.82Å; T366-G381 VanDerWaalsContact OG1-C 3.24Å; T366-G381 PolarHBondContact OG1-O 3.44Å; S367-G381 PolarHBondContact N-O 3.42Å; S367-G381 PolarHBondContact O-N 2.6Å
382S97.3Very high93.6Very high0 Ų028 Ų280%013%0.133CC..EExtended strand (participates in β ladder)trans-146.6160.2179.6172.80000112.1H361 G363 W364 T366 D384 R385 S386 V409H361-S382 WeakPolarHBondContact ND1-CB 3.36Å; G363-S382 VanDerWaalsContact C-OG 3.31Å; G363-S382 PolarHBondContact O-OG 3.08Å; W364-S382 VanDerWaalsContact O-CA 3.29Å; W364-S382 WeakPolarHBondContact O-CA 3.37Å; W364-S382 WeakPolarHBondContact O-CB 3.24Å; W364-S382 PolarHBondContact O-OG 3.01Å; T366-S382 PolarHBondContact OG1-N 3.47Å; S382-D384 VanDerWaalsContact CB-OD1 3.25Å; S382-D384 WeakPolarHBondContact CB-OD1 3.34Å; S382-D384 PolarHBondContact O-N 3.31Å; S382-D384 PolarHBondContact OG-N 3.08Å; S382-D384 PolarHBondContact OG-OD1 2.58Å; S382-R385 PolarHBondContact O-N 2.77Å; S382-R385 VanDerWaalsContact O-N 3.12Å; S382-S386 PolarHBondContact N-O 2.78Å; S382-V409 PolarHBondContact O-N 3.44Å; S382-V409 VanDerWaalsContact O-N 3.12Å
383I96.4Very high93.8Very high60 Ų6025.8 Ų25.831%0.30812%0.115SC..THydrogen-bonded Turntrans-65.5-11.8167.769175.3000112.8W364 T366 R385 I408W364-I383 HydrophobicContact CB-CD1 3.79Å; W364-I383 HydrophobicContact CB-CG1 4.13Å; W364-I383 HydrophobicContact CD2-CD1 4.01Å; W364-I383 HydrophobicContact CE3-CD1 4.2Å; W364-I383 HydrophobicContact CG-CD1 3.83Å; W364-I383 VanDerWaalsContact N-CG1 3.31Å; W364-I383 PolarHBondContact O-N 2.67Å; T366-I383 HydrophobicContact CG2-CG2 3.54Å; I383-R385 PolarHBondContact O-N 2.72Å; I383-I408 HydrophobicContact CB-CB 4.29Å; I383-I408 HydrophobicContact CB-CG2 3.74Å; I383-I408 HydrophobicContact CG2-CB 4.26Å; I383-I408 HydrophobicContact CG2-CG2 4.03Å
384D95.4Very high94.1Very high31 Ų3123.6 Ų23.617%0.16611%0.105CC..THydrogen-bonded Turntrans-72.75.6169.478.23.2000113.6H361 T362 S382 S386 R388H361-D384 VanDerWaalsContact CA-OD2 3.31Å; H361-D384 WeakPolarHBondContact CA-OD2 3.45Å; H361-D384 IonicContact CE1-OD1 2.71Å; H361-D384 IonicContact CG-OD2 2.67Å; H361-D384 IonicContact ND1-OD1 3.36Å; H361-D384 PolarHBondContact ND1-OD1 2.91Å; H361-D384 VanDerWaalsContact ND1-OD1 3.15Å; H361-D384 IonicContact ND1-OD2 3.07Å; H361-D384 PolarHBondContact ND1-OD2 2.97Å; T362-D384 PolarHBondContact N-OD2 3.33Å; T362-D384 WeakPolarHBondContact OG1-CB 3.36Å; S382-D384 VanDerWaalsContact CB-OD1 3.25Å; S382-D384 WeakPolarHBondContact CB-OD1 3.34Å; S382-D384 PolarHBondContact O-N 3.31Å; S382-D384 PolarHBondContact OG-N 3.08Å; S382-D384 PolarHBondContact OG-OD1 2.58Å; D384-S386 VanDerWaalsContact CG-OG 3.28Å; D384-S386 PolarHBondContact O-N 3.16Å; D384-S386 WeakPolarHBondContact OD1-CB 3.36Å; D384-S386 PolarHBondContact OD1-N 2.77Å; D384-S386 PolarHBondContact OD1-OG 2.81Å; D384-S386 PolarHBondContact OD2-OG 2.92Å; D384-R388 IonicContact OD2-NH1 2.94Å; D384-R388 PolarHBondContact OD2-NH1 3.22Å
385R96.7Very high94Very high130 Ų13023.3 Ų23.349%0.49111%0.109SC..SBendtrans70.96.3174.5-41176.1-175.4-178.72.8113.9S382 I383 A406 D407S382-R385 PolarHBondContact O-N 2.77Å; S382-R385 VanDerWaalsContact O-N 3.12Å; I383-R385 PolarHBondContact O-N 2.72Å; R385-A406 WeakPolarHBondContact CD-O 3.44Å; R385-A406 PolarHBondContact NH1-O 3.48Å; R385-A406 VanDerWaalsContact NH1-O 3.14Å; R385-D407 WeakPolarHBondContact CB-O 3.48Å; R385-D407 WeakPolarHBondContact CG-O 3.37Å
386S95.4Very high93.9Very high2 Ų224.6 Ų24.61%0.01411%0.11CC..  trans-101.1143.8177.372.70000111.2H361 S382 D384 R388H361-S386 PolarHBondContact CE1-OG 2.83Å; H361-S386 PolarHBondContact ND1-OG 3.44Å; S382-S386 PolarHBondContact N-O 2.78Å; D384-S386 VanDerWaalsContact CG-OG 3.28Å; D384-S386 PolarHBondContact O-N 3.16Å; D384-S386 WeakPolarHBondContact OD1-CB 3.36Å; D384-S386 PolarHBondContact OD1-N 2.77Å; D384-S386 PolarHBondContact OD1-OG 2.81Å; D384-S386 PolarHBondContact OD2-OG 2.92Å; S386-R388 PolarHBondContact OG-NH1 3.19Å
387V96.9Very high93.8Very high0 Ų026.1 Ų26.10%012%0.121CC..EExtended strand (participates in β ladder)trans-104.9131.8162.11800000106.8S380 L402 V409 V412S380-V387 CarbonylContact O-C 3.57Å; S380-V387 VanDerWaalsContact O-CA 3.23Å; S380-V387 WeakPolarHBondContact O-CA 3.46Å; V387-L402 HydrophobicContact CB-CB 3.98Å; V387-L402 HydrophobicContact CG1-CB 4.27Å; V387-L402 HydrophobicContact CG1-CD1 4.04Å; V387-L402 WeakPolarHBondContact O-CA 3.15Å; V387-L402 WeakPolarHBondContact O-CB 3.39Å; V387-L402 PolarHBondContact O-N 2.96Å; V387-V409 HydrophobicContact CG2-CB 4.49Å; V387-V409 HydrophobicContact CG2-CG1 3.93Å; V387-V409 HydrophobicContact CG2-CG2 3.77Å; V387-V412 HydrophobicContact CG1-CG1 4.14Å; V387-V412 HydrophobicContact CG2-CG1 4.29Å
388R96.4Very high93.7Very high30 Ų3027.3 Ų27.311%0.11313%0.13CC..EExtended strand (participates in β ladder)trans-123.2137.6-178.7-68.3-167.8161.895.56.5111G360 H361 V379 S380 D384 S386 W390 D401G360-R388 PolarHBondContact O-NH1 2.59Å; H361-R388 PolarHBondContact CE1-NH1 3.35Å; H361-R388 PolarHBondContact ND1-NH1 2.77Å; V379-R388 CarbonylContact C-O 3.56Å; V379-R388 WeakPolarHBondContact CA-O 3.43Å; S380-R388 PolarHBondContact N-O 2.96Å; S380-R388 PolarHBondContact O-N 3.42Å; D384-R388 IonicContact OD2-NH1 2.94Å; D384-R388 PolarHBondContact OD2-NH1 3.22Å; S386-R388 PolarHBondContact OG-NH1 3.19Å; R388-W390 HydrophobicContact CB-CZ2 3.83Å; R388-W390 VanDerWaalsContact CB-NE1 3.33Å; R388-W390 HydrophobicContact CG-CZ2 4.3Å; R388-W390 PolarHBondContact O-NE1 2.87Å; R388-D401 WeakPolarHBondContact CD-OD1 3.29Å; R388-D401 VanDerWaalsContact CG-OD1 3.31Å; R388-D401 WeakPolarHBondContact CG-OD1 3.24Å; R388-D401 IonicContact CZ-OD2 3.55Å; R388-D401 VanDerWaalsContact NE-CG 3.3Å; R388-D401 IonicContact NE-OD1 3.08Å; R388-D401 PolarHBondContact NE-OD1 3.28Å; R388-D401 IonicContact NE-OD2 3.52Å; R388-D401 PolarHBondContact NE-OD2 2.86Å; R388-D401 VanDerWaalsContact NE-OD2 3.08Å; R388-D401 IonicContact NH2-OD2 3.55Å; R388-D401 PolarHBondContact NH2-OD2 3.23Å
389L96Very high93.5Very high0 Ų028.8 Ų28.80%014%0.138CC..EExtended strand (participates in β ladder)trans-98.4129.6170.7174.359000108.7P92 Q377 F378 V379 S398 L399 Y400 W414 I430 Y444P92-L389 HydrophobicContact CG-CD2 3.64Å; Q377-L389 HydrophobicContact CB-CD1 4.34Å; F378-L389 WeakPolarHBondContact O-CD1 3.35Å; V379-L389 HydrophobicContact CG1-CB 4.37Å; V379-L389 HydrophobicContact CG1-CD1 3.91Å; L389-S398 CarbonylContact O-C 3.57Å; L389-S398 WeakPolarHBondContact O-CA 3.31Å; L389-S398 WeakPolarHBondContact O-CB 3.4Å; L389-L399 HydrophobicContact CG-CB 4.39Å; L389-L399 HydrophobicContact CG-CD1 4.32Å; L389-L399 PolarHBondContact O-N 2.81Å; L389-Y400 HydrophobicContact CD2-CD2 4Å; L389-Y400 PolarHBondContact N-O 3.46Å; L389-Y400 PolarHBondContact O-N 2.85Å; L389-W414 HydrophobicContact CD1-CH2 4.09Å; L389-W414 HydrophobicContact CD1-CZ2 3.68Å; L389-I430 HydrophobicContact CD2-CD1 4.46Å; L389-Y444 HydrophobicContact CD2-CD2 4.28Å; L389-Y444 HydrophobicContact CD2-CE1 4.41Å; L389-Y444 HydrophobicContact CD2-CE2 3.67Å
390W95.4Very high93.3Very high1 Ų131.4 Ų31.40%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-120.8157.7-175.2-56.587.7000111.3I342 F358 Q359 H361 Q377 F378 S380 R388 S398I342-W390 HydrophobicContact CD1-CD2 4.4Å; I342-W390 HydrophobicContact CD1-CZ2 4.01Å; F358-W390 HydrophobicContact CB-CD2 4.37Å; F358-W390 HydrophobicContact CB-CE3 3.86Å; F358-W390 HydrophobicContact CB-CH2 4.46Å; F358-W390 HydrophobicContact CB-CZ3 3.91Å; F358-W390 HydrophobicContact CD1-CE3 4.06Å; F358-W390 HydrophobicContact CG-CE3 4.34Å; Q359-W390 WeakPolarHBondContact O-CH2 3.23Å; H361-W390 AromaticContact CD2-CZ2 3.8Å; Q377-W390 VanDerWaalsContact CA-O 3.27Å; Q377-W390 WeakPolarHBondContact CA-O 3.28Å; Q377-W390 WeakPolarHBondContact CB-O 3.33Å; F378-W390 HydrophobicContact CD1-CB 4.07Å; F378-W390 HydrophobicContact CD2-CB 3.85Å; F378-W390 AromaticContact CD2-CD1 3.66Å; F378-W390 AromaticContact CD2-CG 3.99Å; F378-W390 HydrophobicContact CD2-CG 3.99Å; F378-W390 HydrophobicContact CE1-CB 3.61Å; F378-W390 HydrophobicContact CE1-CG 4.44Å; F378-W390 HydrophobicContact CE2-CB 3.36Å; F378-W390 AromaticContact CE2-CD1 3.3Å; F378-W390 HydrophobicContact CE2-CD2 4.21Å; F378-W390 AromaticContact CE2-CG 3.33Å; F378-W390 HydrophobicContact CE2-CG 3.33Å; F378-W390 HydrophobicContact CG-CB 4.18Å; F378-W390 HydrophobicContact CZ-CB 3.24Å; F378-W390 HydrophobicContact CZ-CD2 4.38Å; F378-W390 AromaticContact CZ-CG 3.62Å; F378-W390 HydrophobicContact CZ-CG 3.62Å; F378-W390 PolarHBondContact N-O 3.27Å; F378-W390 PolarHBondContact O-N 3.21Å; S380-W390 PolarHBondContact OG-NE1 2.82Å; R388-W390 HydrophobicContact CB-CZ2 3.83Å; R388-W390 VanDerWaalsContact CB-NE1 3.33Å; R388-W390 HydrophobicContact CG-CZ2 4.3Å; R388-W390 PolarHBondContact O-NE1 2.87Å; W390-S398 VanDerWaalsContact CZ3-N 3.27Å
391D93.2Very high93.1Very high0 Ų034.7 Ų34.70%017%0.166CC..EExtended strand (participates in β ladder)trans-123.7130.5167.2-157.3-61.8000108.8I62 D376 Q377 R393 N394 L399I62-D391 HydrophobicContact CD1-CB 4.02Å; D376-D391 CarbonylContact O-C 3.48Å; D376-D391 VanDerWaalsContact O-CA 3.29Å; D376-D391 WeakPolarHBondContact O-CA 3.25Å; Q377-D391 HydrophobicContact CG-CB 4.44Å; Q377-D391 PolarHBondContact NE2-OD2 3.01Å; D391-R393 PolarHBondContact O-N 2.91Å; D391-R393 VanDerWaalsContact O-N 3.1Å; D391-R393 WeakPolarHBondContact OD1-CB 3.38Å; D391-R393 WeakPolarHBondContact OD1-CG 3.43Å; D391-R393 IonicContact OD1-CZ 3.44Å; D391-R393 PolarHBondContact OD1-N 3.4Å; D391-R393 IonicContact OD1-NE 2.65Å; D391-R393 PolarHBondContact OD1-NE 2.76Å; D391-R393 IonicContact OD1-NH2 3.89Å; D391-R393 IonicContact OD2-CZ 2.91Å; D391-R393 IonicContact OD2-NE 3.24Å; D391-R393 IonicContact OD2-NH2 2.95Å; D391-R393 PolarHBondContact OD2-NH2 2.67Å; D391-N394 CarbonylContact O-C 3.55Å; D391-N394 PolarHBondContact O-N 2.97Å; D391-L399 HydrophobicContact CB-CD1 3.76Å; D391-L399 HydrophobicContact CB-CD2 3.96Å; D391-L399 HydrophobicContact CB-CG 3.81Å
392T92.1Very high92.9Very high22 Ų2235.1 Ų35.114%0.13517%0.168CC..THydrogen-bonded Turntrans-60.4-23.3178.458.90000112.5I344 F358 W370 D376 F378 N394I344-T392 HydrophobicContact CD1-CG2 3.59Å; F358-T392 HydrophobicContact CZ-CG2 4.31Å; W370-T392 HydrophobicContact CH2-CG2 3.57Å; W370-T392 HydrophobicContact CZ3-CG2 3.63Å; D376-T392 WeakPolarHBondContact CB-OG1 3.05Å; D376-T392 WeakPolarHBondContact O-CG2 3.44Å; D376-T392 PolarHBondContact O-N 2.87Å; D376-T392 PolarHBondContact O-OG1 2.86Å; D376-T392 PolarHBondContact OD1-OG1 3.24Å; F378-T392 HydrophobicContact CD1-CG2 4.18Å; F378-T392 HydrophobicContact CE1-CG2 3.94Å; T392-N394 VanDerWaalsContact C-N 3.27Å
393R90.2Very high92.2Very high33 Ų3340.8 Ų40.813%0.12520%0.196CC..THydrogen-bonded Turntrans-81.4-7.4177.8-55.9170.9-63.6169.11112.2L57 N60 V61 I62 D376 D391L57-R393 HydrophobicContact CD2-CB 4.21Å; L57-R393 HydrophobicContact CD2-CG 4.39Å; N60-R393 WeakPolarHBondContact O-CB 3.25Å; N60-R393 VanDerWaalsContact O-CG 3.22Å; N60-R393 WeakPolarHBondContact O-CG 3.47Å; V61-R393 CarbonylContact C-O 3.6Å; V61-R393 WeakPolarHBondContact CA-O 3.29Å; I62-R393 HydrophobicContact CD1-CB 3.82Å; I62-R393 HydrophobicContact CG1-CB 3.84Å; I62-R393 PolarHBondContact N-O 2.86Å; D376-R393 HydrophobicContact CB-CG 4.49Å; D376-R393 IonicContact OD2-NE 2.82Å; D391-R393 PolarHBondContact O-N 2.91Å; D391-R393 VanDerWaalsContact O-N 3.1Å; D391-R393 WeakPolarHBondContact OD1-CB 3.38Å; D391-R393 WeakPolarHBondContact OD1-CG 3.43Å; D391-R393 IonicContact OD1-CZ 3.44Å; D391-R393 PolarHBondContact OD1-N 3.4Å; D391-R393 IonicContact OD1-NE 2.65Å; D391-R393 PolarHBondContact OD1-NE 2.76Å; D391-R393 IonicContact OD1-NH2 3.89Å; D391-R393 IonicContact OD2-CZ 2.91Å; D391-R393 IonicContact OD2-NE 3.24Å; D391-R393 IonicContact OD2-NH2 2.95Å; D391-R393 PolarHBondContact OD2-NH2 2.67Å
394N89.5Confident91.6Very high10 Ų1040 Ų405%0.05320%0.202CC..  trans-129.183.7171.2-176.311.8000111I62 D391 T392 R396 S397I62-N394 HydrophobicContact CB-CB 4.21Å; I62-N394 HydrophobicContact CD1-CB 3.98Å; D391-N394 CarbonylContact O-C 3.55Å; D391-N394 PolarHBondContact O-N 2.97Å; T392-N394 VanDerWaalsContact C-N 3.27Å; N394-R396 PolarHBondContact O-N 3.09Å; N394-R396 PolarHBondContact OD1-N 2.94Å; N394-S397 PolarHBondContact ND2-O 3.36Å; N394-S397 PolarHBondContact ND2-OG 3.37Å
395P85.3Confident91.6Very high42 Ų4239.2 Ų39.227%0.27320%0.198SC..THydrogen-bonded Turntrans-71.1-14.6-177.327.9-34.8000114.7F358F358-P395 HydrophobicContact CD1-CB 4.29Å; F358-P395 HydrophobicContact CE1-CB 4.11Å
396R84.8Confident91.5Very high135 Ų13536.3 Ų36.351%0.50920%0.202SC..THydrogen-bonded Turntrans-86.3-25.4-171.2-66-168.9-177.1115.124.1114.4E73 N394E73-R396 VanDerWaalsContact CD-CZ 3.46Å; E73-R396 IonicContact OE1-CZ 2.83Å; E73-R396 IonicContact OE1-NE 3.33Å; E73-R396 IonicContact OE1-NH1 3.95Å; E73-R396 IonicContact OE1-NH2 2.77Å; E73-R396 PolarHBondContact OE1-NH2 3.26Å; E73-R396 IonicContact OE2-CZ 3.58Å; E73-R396 IonicContact OE2-NH1 3.93Å; E73-R396 PolarHBondContact OE2-NH1 3.44Å; E73-R396 IonicContact OE2-NH2 2.78Å; E73-R396 PolarHBondContact OE2-NH2 3.43Å; N394-R396 PolarHBondContact O-N 3.09Å; N394-R396 PolarHBondContact OD1-N 2.94Å
397S89.2Confident91.5Very high51 Ų5139.4 Ų39.436%0.35722%0.218SC..SBendtrans-149.4152.9-175.9730000110.8N394N394-S397 PolarHBondContact ND2-O 3.36Å; N394-S397 PolarHBondContact ND2-OG 3.37Å
398S91.5Very high91.5Very high26 Ų2642.1 Ų42.118%0.18223%0.232CC..  trans-60.8152.7164.349.70000109.7L389 W390 D401L389-S398 CarbonylContact O-C 3.57Å; L389-S398 WeakPolarHBondContact O-CA 3.31Å; L389-S398 WeakPolarHBondContact O-CB 3.4Å; W390-S398 VanDerWaalsContact CZ3-N 3.27Å; S398-D401 WeakPolarHBondContact CB-OD1 3.44Å; S398-D401 PolarHBondContact OG-OD1 3.45Å
399L91.1Very high91.5Very high32 Ų3240.7 Ų40.717%0.16823%0.226CC..SBendtrans-68.9-47.6165.9-70.7-179.9000109.9M55 L389 D391M55-L399 HydrophobicContact CE-CD2 4.29Å; L389-L399 HydrophobicContact CG-CB 4.39Å; L389-L399 HydrophobicContact CG-CD1 4.32Å; L389-L399 PolarHBondContact O-N 2.81Å; D391-L399 HydrophobicContact CB-CD1 3.76Å; D391-L399 HydrophobicContact CB-CD2 3.96Å; D391-L399 HydrophobicContact CB-CG 3.81Å
400Y93.4Very high91.6Very high54 Ų5441.9 Ų41.921%0.21223%0.234CC..EExtended strand (participates in β ladder)trans-148.3139.3-174.8-61.3-67.3000111.3Q89 P91 L389Q89-Y400 PolarHBondContact O-OH 2.98Å; P91-Y400 HydrophobicContact CB-CD1 3.73Å; P91-Y400 HydrophobicContact CB-CE1 3.64Å; P91-Y400 HydrophobicContact CB-CE2 4.42Å; P91-Y400 HydrophobicContact CB-CG 4.18Å; P91-Y400 HydrophobicContact CG-CE1 4.44Å; L389-Y400 HydrophobicContact CD2-CD2 4Å; L389-Y400 PolarHBondContact N-O 3.46Å; L389-Y400 PolarHBondContact O-N 2.85Å
401D92.6Very high91.6Very high69 Ų6942.1 Ų42.137%0.36924%0.235SC..EExtended strand (participates in β ladder)trans-99.1113.9171.6-75.810000108.9R388 S398 M403R388-D401 WeakPolarHBondContact CD-OD1 3.29Å; R388-D401 VanDerWaalsContact CG-OD1 3.31Å; R388-D401 WeakPolarHBondContact CG-OD1 3.24Å; R388-D401 IonicContact CZ-OD2 3.55Å; R388-D401 VanDerWaalsContact NE-CG 3.3Å; R388-D401 IonicContact NE-OD1 3.08Å; R388-D401 PolarHBondContact NE-OD1 3.28Å; R388-D401 IonicContact NE-OD2 3.52Å; R388-D401 PolarHBondContact NE-OD2 2.86Å; R388-D401 VanDerWaalsContact NE-OD2 3.08Å; R388-D401 IonicContact NH2-OD2 3.55Å; R388-D401 PolarHBondContact NH2-OD2 3.23Å; S398-D401 WeakPolarHBondContact CB-OD1 3.44Å; S398-D401 PolarHBondContact OG-OD1 3.45Å; D401-M403 VanDerWaalsContact C-N 3.27Å; D401-M403 HydrophobicContact CB-CG 4.24Å; D401-M403 HydrophobicContact CB-SD 4.32Å; D401-M403 PolarHBondContact O-N 2.8Å; D401-M403 VanDerWaalsContact O-N 3.13Å
402L91.9Very high91.8Very high9 Ų942.1 Ų42.15%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-88.666.5179.5-61.7169.3000109.6P92 V387 I430 Y442P92-L402 HydrophobicContact CB-CD1 4.49Å; P92-L402 HydrophobicContact CB-CD2 3.63Å; P92-L402 HydrophobicContact CG-CD1 4.32Å; P92-L402 HydrophobicContact CG-CD2 3.75Å; P92-L402 HydrophobicContact CG-CG 4.47Å; V387-L402 HydrophobicContact CB-CB 3.98Å; V387-L402 HydrophobicContact CG1-CB 4.27Å; V387-L402 HydrophobicContact CG1-CD1 4.04Å; V387-L402 WeakPolarHBondContact O-CA 3.15Å; V387-L402 WeakPolarHBondContact O-CB 3.39Å; V387-L402 PolarHBondContact O-N 2.96Å; L402-I430 HydrophobicContact CD1-CD1 3.77Å; L402-I430 HydrophobicContact CD1-CG2 4.09Å; L402-Y442 HydrophobicContact CB-CD1 4.42Å; L402-Y442 HydrophobicContact CB-CE1 4.09Å; L402-Y442 HydrophobicContact CB-CE2 4.37Å; L402-Y442 HydrophobicContact CD1-CD2 4.42Å; L402-Y442 HydrophobicContact CD1-CG 4.37Å; L402-Y442 HydrophobicContact CD2-CD1 3.74Å; L402-Y442 HydrophobicContact CD2-CE1 4.12Å; L402-Y442 HydrophobicContact CD2-CG 4.11Å; L402-Y442 PolarHBondContact O-OH 2.93Å
403M83.6Confident91.8Very high120 Ų12042.3 Ų42.359%0.59124%0.236SC*.  trans-66145.8178.5-58.1-57.9-6900110.8D401D401-M403 VanDerWaalsContact C-N 3.27Å; D401-M403 HydrophobicContact CB-CG 4.24Å; D401-M403 HydrophobicContact CB-SD 4.32Å; D401-M403 PolarHBondContact O-N 2.8Å; D401-M403 VanDerWaalsContact O-N 3.13Å
404G83.9Confident91.7Very high43 Ų4341.1 Ų41.144%0.44323%0.231SC..  trans161.2-24.2173.800000114.9K440G404-K440 VanDerWaalsContact C-CE 3.43Å; G404-K440 WeakPolarHBondContact O-CE 3.46Å; G404-K440 PolarHBondContact O-NZ 3.47Å
405H94.3Very high90.6Very high14 Ų1440.7 Ų40.77%0.06523%0.229CC..  trans-73.8139.8176.2-76.5-64.7000111.7V409 S432 S434 D436 T438 K440H405-V409 HydrophobicContact CB-CG2 4.38Å; H405-S432 WeakPolarHBondContact NE2-CB 3.21Å; H405-S432 PolarHBondContact NE2-O 3.15Å; H405-S432 PolarHBondContact NE2-OG 3.02Å; H405-S434 VanDerWaalsContact CE1-CB 3.43Å; H405-S434 WeakPolarHBondContact CE1-CB 3.48Å; H405-S434 WeakPolarHBondContact ND1-CB 3.42Å; H405-D436 WeakPolarHBondContact CA-OD2 3.33Å; H405-D436 WeakPolarHBondContact CB-OD2 3.38Å; H405-D436 IonicContact CE1-OD1 2.8Å; H405-D436 IonicContact CG-OD2 3.94Å; H405-D436 IonicContact ND1-OD1 3.85Å; H405-D436 PolarHBondContact ND1-OD1 2.94Å; H405-D436 IonicContact ND1-OD2 2.65Å; H405-D436 PolarHBondContact ND1-OD2 2.98Å; H405-T438 PolarHBondContact CE1-OG1 3.5Å; H405-T438 PolarHBondContact ND1-OG1 3.31Å; H405-K440 WeakPolarHBondContact ND1-CE 3.26Å
406A94.8Very high89.5Confident70 Ų7041.9 Ų41.958%0.57924%0.237SC*.SBendtrans-89.1-17.4179.900000112.6R385 D436R385-A406 WeakPolarHBondContact CD-O 3.44Å; R385-A406 PolarHBondContact NH1-O 3.48Å; R385-A406 VanDerWaalsContact NH1-O 3.14Å; A406-D436 HydrophobicContact CB-CB 4.02Å; A406-D436 PolarHBondContact N-OD2 3.49Å
407D95.9Very high88.3Confident66 Ų6637.9 Ų37.935%0.35323%0.232SC..SBendtrans-138.4-173.3-179.1-150.7-16000111.4R385 V409 S434 A435 D436R385-D407 WeakPolarHBondContact CB-O 3.48Å; R385-D407 WeakPolarHBondContact CG-O 3.37Å; D407-V409 PolarHBondContact O-N 3.19Å; D407-S434 PolarHBondContact O-OG 2.8Å; D407-A435 HydrophobicContact CB-CB 4.02Å; D407-D436 HydrophobicContact CB-CB 4.02Å
408I96.1Very high86.7Confident57 Ų5736.1 Ų36.129%0.29222%0.218SC..  trans-53.8135.8-175.863.2170.7000111.5I383 T410 S434 A435I383-I408 HydrophobicContact CB-CB 4.29Å; I383-I408 HydrophobicContact CB-CG2 3.74Å; I383-I408 HydrophobicContact CG2-CB 4.26Å; I383-I408 HydrophobicContact CG2-CG2 4.03Å; I408-T410 HydrophobicContact CD1-CG2 4.43Å; I408-T410 HydrophobicContact CG1-CG2 4.33Å; I408-S434 WeakPolarHBondContact O-CA 3.41Å; I408-S434 VanDerWaalsContact O-CB 3.24Å; I408-S434 WeakPolarHBondContact O-CB 3.14Å; I408-S434 PolarHBondContact O-OG 2.85Å; I408-A435 HydrophobicContact CD1-CB 4.12Å; I408-A435 HydrophobicContact CG1-CB 3.39Å; I408-A435 PolarHBondContact O-N 3.36Å
409V97.5Very high84.9Confident0 Ų043.8 Ų43.80%025%0.249CC..EExtended strand (participates in β ladder)trans-78.5128.4169.7-178.70000107.5T366 S382 V387 H405 D407 V412 S433T366-V409 VanDerWaalsContact CB-O 3.23Å; T366-V409 WeakPolarHBondContact CB-O 3.35Å; T366-V409 VanDerWaalsContact CG2-O 3.3Å; T366-V409 WeakPolarHBondContact CG2-O 3.4Å; T366-V409 PolarHBondContact OG1-O 3.01Å; S382-V409 PolarHBondContact O-N 3.44Å; S382-V409 VanDerWaalsContact O-N 3.12Å; V387-V409 HydrophobicContact CG2-CB 4.49Å; V387-V409 HydrophobicContact CG2-CG1 3.93Å; V387-V409 HydrophobicContact CG2-CG2 3.77Å; H405-V409 HydrophobicContact CB-CG2 4.38Å; D407-V409 PolarHBondContact O-N 3.19Å; V409-V412 HydrophobicContact CG1-CG1 3.9Å; V409-S433 CarbonylContact C-O 3.51Å; V409-S433 WeakPolarHBondContact CA-O 3.44Å; V409-S433 WeakPolarHBondContact CG1-O 3.5Å
410T96.4Very high83Confident25 Ų2545.3 Ų45.315%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-98.2-35.2-173.451.60000113.1L103 I104 I408 S433 S434L103-T410 HydrophobicContact CD2-CG2 4.37Å; I104-T410 VanDerWaalsContact O-CB 3.26Å; I104-T410 WeakPolarHBondContact O-CB 3.24Å; I104-T410 VanDerWaalsContact O-CG2 3.3Å; I104-T410 WeakPolarHBondContact O-CG2 3.4Å; I104-T410 PolarHBondContact O-OG1 3.08Å; I408-T410 HydrophobicContact CD1-CG2 4.43Å; I408-T410 HydrophobicContact CG1-CG2 4.33Å; T410-S433 PolarHBondContact N-O 2.75Å; T410-S433 VanDerWaalsContact OG1-C 3.24Å; T410-S433 PolarHBondContact OG1-O 3.41Å; T410-S433 PolarHBondContact OG1-OG 3.1Å; T410-S434 PolarHBondContact OG1-N 3.26Å
411D96.5Very high80.9Confident6 Ų651.7 Ų51.73%0.03229%0.293CS..EExtended strand (participates in β ladder)trans-156.7150.5-179-160.823.1000108.9C106 V107 R108 R268 S367 S432 S433C106-D411 WeakPolarHBondContact CA-OD2 3.46Å; V107-D411 HydrophobicContact CG1-CB 4.32Å; V107-D411 PolarHBondContact N-OD2 3.41Å; R108-D411 IonicContact CZ-OD2 3.32Å; R108-D411 IonicContact NH1-OD1 3.36Å; R108-D411 PolarHBondContact NH1-OD1 2.82Å; R108-D411 IonicContact NH1-OD2 2.97Å; R108-D411 PolarHBondContact NH1-OD2 2.88Å; R268-D411 IonicContact CZ-OD1 2.76Å; R268-D411 IonicContact NH1-OD1 2.76Å; R268-D411 IonicContact NH2-OD1 3.47Å; R268-D411 PolarHBondContact NH2-OD1 2.84Å; S367-D411 PolarHBondContact OG-OD1 2.91Å; S367-D411 VanDerWaalsContact OG-OD1 3.11Å; D411-S432 WeakPolarHBondContact O-CA 3.47Å; D411-S433 WeakPolarHBondContact CB-OG 3.41Å; D411-S433 PolarHBondContact N-OG 2.97Å; D411-S433 PolarHBondContact O-N 3.16Å; D411-S433 PolarHBondContact O-OG 3.47Å
412V96.4Very high78.9Confident1 Ų154 Ų541%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-128.5144.4172-63.80000109.1S367 A369 V379 V387 V409 L431S367-V412 VanDerWaalsContact OG-CG2 3.31Å; S367-V412 WeakPolarHBondContact OG-CG2 3.46Å; S367-V412 PolarHBondContact OG-N 2.83Å; A369-V412 HydrophobicContact CB-CG2 4.34Å; V379-V412 HydrophobicContact CG2-CB 3.97Å; V379-V412 HydrophobicContact CG2-CG2 3.79Å; V387-V412 HydrophobicContact CG1-CG1 4.14Å; V387-V412 HydrophobicContact CG2-CG1 4.29Å; V409-V412 HydrophobicContact CG1-CG1 3.9Å; V412-L431 WeakPolarHBondContact CA-O 3.21Å
413D93.7Very high76.9Confident26 Ų2660.1 Ų60.114%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-141.1151.2178-170.722.4000110.5R108 R109 L431R108-D413 WeakPolarHBondContact CA-OD2 3.32Å; R109-D413 PolarHBondContact N-OD2 3.42Å; D413-L431 HydrophobicContact CB-CB 4.42Å; D413-L431 PolarHBondContact N-O 3.14Å; D413-L431 PolarHBondContact O-N 3.29Å
414W86.7Confident75.6Confident8 Ų862.9 Ų62.93%0.0335%0.351CS..EExtended strand (participates in β ladder)trans-106.1131.8171.4-82.991000110.5A369 A371 P372 H373 V379 L389 P416 I430 Y444A369-W414 VanDerWaalsContact O-CD1 3.23Å; A369-W414 PolarHBondContact O-NE1 3.06Å; A371-W414 HydrophobicContact CB-CD2 4Å; A371-W414 HydrophobicContact CB-CE3 4.21Å; A371-W414 HydrophobicContact CB-CH2 3.82Å; A371-W414 HydrophobicContact CB-CZ2 3.55Å; A371-W414 HydrophobicContact CB-CZ3 4.16Å; P372-W414 HydrophobicContact CG-CB 4.28Å; H373-W414 AromaticContact CE1-CZ3 3.48Å; H373-W414 VanDerWaalsContact CE1-CZ3 3.48Å; H373-W414 WeakPolarHBondContact CE1-CZ3 3.39Å; V379-W414 HydrophobicContact CG1-CZ2 3.52Å; L389-W414 HydrophobicContact CD1-CH2 4.09Å; L389-W414 HydrophobicContact CD1-CZ2 3.68Å; W414-P416 VanDerWaalsContact O-CD 3.22Å; W414-P416 WeakPolarHBondContact O-CD 3.1Å; W414-I430 HydrophobicContact CD2-CG1 4.07Å; W414-I430 HydrophobicContact CE3-CG1 3.83Å; W414-I430 HydrophobicContact CH2-CD1 3.67Å; W414-I430 HydrophobicContact CH2-CG1 3.62Å; W414-I430 HydrophobicContact CZ2-CD1 3.96Å; W414-I430 HydrophobicContact CZ2-CG1 3.88Å; W414-I430 HydrophobicContact CZ3-CD1 4.08Å; W414-I430 HydrophobicContact CZ3-CG1 3.56Å; W414-Y444 AromaticContact CH2-CD1 3.51Å; W414-Y444 HydrophobicContact CH2-CD1 3.51Å; W414-Y444 AromaticContact CH2-CE1 3.81Å; W414-Y444 HydrophobicContact CH2-CE1 3.81Å; W414-Y444 HydrophobicContact CH2-CG 4.21Å; W414-Y444 AromaticContact CZ3-CD1 3.58Å; W414-Y444 HydrophobicContact CZ3-CD1 3.58Å; W414-Y444 HydrophobicContact CZ3-CE1 4.29Å; W414-Y444 HydrophobicContact CZ3-CG 4.23Å
415A67.5Low74.7Confident0 Ų066.8 Ų66.80%036%0.356CS..PPolyproline II helixtrans-69120.7167.300000113.1R109 Y429R109-A415 VanDerWaalsContact NE-CA 3.26Å; R109-A415 VanDerWaalsContact NH1-CB 3.32Å; R109-A415 VanDerWaalsContact NH2-C 3.33Å; A415-Y429 HydrophobicContact CB-CD2 4.39Å; A415-Y429 WeakPolarHBondContact CB-O 3.42Å; A415-Y429 PolarHBondContact N-O 3.27Å
416P62.9Low73.6Confident68 Ų6868.2 Ų68.244%0.44237%0.366SS..PPolyproline II helixtrans-55.6152.7158.2-23.532.5000111.7R109 W414 I418R109-P416 VanDerWaalsContact NH2-CD 3.31Å; R109-P416 VanDerWaalsContact NH2-N 3.14Å; R109-P416 PolarHBondContact NH2-O 2.68Å; W414-P416 VanDerWaalsContact O-CD 3.22Å; W414-P416 WeakPolarHBondContact O-CD 3.1Å; P416-I418 PolarHBondContact O-N 3.25Å
417A58.4Low72.8Confident50 Ų5065.4 Ų65.441%0.41334%0.341SS..PPolyproline II helixtrans-47.2122.5178.500000113.6P426A417-P426 HydrophobicContact CB-CB 3.26Å; A417-P426 HydrophobicContact CB-CG 4.28Å
418I56.1Low72.3Confident14 Ų1462.6 Ų62.67%0.07233%0.326CS..BIsolated β-bridgetrans-83.2118.5159.4-53.5-177.8000107K112 L128 P416 L420 I427 Y429K112-I418 HydrophobicContact CB-CD1 4.12Å; L128-I418 HydrophobicContact CD1-CD1 3.93Å; P416-I418 PolarHBondContact O-N 3.25Å; I418-L420 HydrophobicContact CG2-CD2 3.8Å; I418-L420 HydrophobicContact CG2-CG 3.67Å; I418-L420 PolarHBondContact O-N 2.72Å; I418-I427 PolarHBondContact N-O 2.98Å; I418-I427 PolarHBondContact O-N 3.04Å; I418-Y429 HydrophobicContact CD1-CE2 4.41Å
419K52.6Low72Confident188 Ų18861 Ų6182%0.81732%0.316SS*.  trans-88.882.4169.7-161.7177-174.7179.70109
420L51.3Low71.8Confident63 Ų6361 Ų6133%0.3332%0.316SS..  trans-70.5134.8172.3-69169.6000109.3I418 T422 Y423 I427I418-L420 HydrophobicContact CG2-CD2 3.8Å; I418-L420 HydrophobicContact CG2-CG 3.67Å; I418-L420 PolarHBondContact O-N 2.72Å; L420-T422 PolarHBondContact O-N 2.7Å; L420-Y423 HydrophobicContact CB-CD2 4.03Å; L420-Y423 HydrophobicContact CD1-CD2 3.78Å; L420-Y423 HydrophobicContact CD1-CE2 4.07Å; L420-Y423 PolarHBondContact O-N 3.48Å; L420-Y423 VanDerWaalsContact O-O 3.1Å; L420-I427 HydrophobicContact CD1-CD1 3.89Å
421L50.8Low71.8Confident189 Ų18959.8 Ų59.899%0.9931%0.309SS*.THydrogen-bonded Turntrans-54.6-24.1174.7-77.8151.6000113.3
422T50.6Low71.8Confident117 Ų11759.5 Ų59.572%0.71831%0.307SS*.THydrogen-bonded Turntrans-85-17.5-178.451.20000114.1L420L420-T422 PolarHBondContact O-N 2.7Å
423Y48.5Very low71.7Confident137 Ų13759.4 Ų59.454%0.53731%0.307SS..  trans-113.9124.8-178.4-74.4-88.4000110.1L420 K425 I427L420-Y423 HydrophobicContact CB-CD2 4.03Å; L420-Y423 HydrophobicContact CD1-CD2 3.78Å; L420-Y423 HydrophobicContact CD1-CE2 4.07Å; L420-Y423 PolarHBondContact O-N 3.48Å; L420-Y423 VanDerWaalsContact O-O 3.1Å; Y423-K425 WeakPolarHBondContact CB-O 3.22Å; Y423-K425 PolarHBondContact O-N 3.17Å; Y423-K425 VanDerWaalsContact O-N 3.1Å; Y423-I427 HydrophobicContact CD1-CD1 4.23Å; Y423-I427 HydrophobicContact CD2-CD1 3.72Å; Y423-I427 HydrophobicContact CE1-CD1 4.29Å; Y423-I427 HydrophobicContact CE2-CD1 3.78Å; Y423-I427 HydrophobicContact CG-CD1 3.94Å; Y423-I427 HydrophobicContact CG-CG1 4.43Å
424D56Low71.9Confident179 Ų17958.2 Ų58.296%0.95730%0.3SS*.SBendtrans-60.1-20174.1-85-26.6000112.7
425K65.6Low72.3Confident125 Ų12558.5 Ų58.554%0.54331%0.305SS..SBendtrans-125.4143.3-173.5-73.5164.8164.3-119.90111.6Y423 E446Y423-K425 WeakPolarHBondContact CB-O 3.22Å; Y423-K425 PolarHBondContact O-N 3.17Å; Y423-K425 VanDerWaalsContact O-N 3.1Å; K425-E446 WeakPolarHBondContact CD-OE2 3.24Å; K425-E446 WeakPolarHBondContact CE-OE2 3.15Å; K425-E446 IonicContact NZ-OE2 2.59Å; K425-E446 PolarHBondContact NZ-OE2 3.24Å
426P70.8Confident73.6Confident43 Ų4360.1 Ų60.128%0.27931%0.314SS..  trans-61.2141.817627-34.1000111.6A417 E446A417-P426 HydrophobicContact CB-CB 3.26Å; A417-P426 HydrophobicContact CB-CG 4.28Å; P426-E446 WeakPolarHBondContact CD-OE1 3.46Å
427I77.9Confident75.2Confident12 Ų1258 Ų586%0.06230%0.3CS..BIsolated β-bridgetrans-98.6134.3174.2-58.5178.8000109.9I418 L420 Y423 Y429 H443I418-I427 PolarHBondContact N-O 2.98Å; I418-I427 PolarHBondContact O-N 3.04Å; L420-I427 HydrophobicContact CD1-CD1 3.89Å; Y423-I427 HydrophobicContact CD1-CD1 4.23Å; Y423-I427 HydrophobicContact CD2-CD1 3.72Å; Y423-I427 HydrophobicContact CE1-CD1 4.29Å; Y423-I427 HydrophobicContact CE2-CD1 3.78Å; Y423-I427 HydrophobicContact CG-CD1 3.94Å; Y423-I427 HydrophobicContact CG-CG1 4.43Å; I427-Y429 HydrophobicContact CB-CE2 4.38Å; I427-Y429 HydrophobicContact CG2-CD2 4.2Å; I427-Y429 HydrophobicContact CG2-CE1 3.92Å; I427-Y429 HydrophobicContact CG2-CE2 3.51Å; I427-Y429 WeakPolarHBondContact CG2-OH 3.37Å; I427-H443 VanDerWaalsContact CG2-CE1 3.46Å; I427-H443 WeakPolarHBondContact CG2-CE1 3.28Å; I427-H443 VanDerWaalsContact CG2-ND1 3.35Å; I427-H443 WeakPolarHBondContact CG2-ND1 3.22Å
428H86.6Confident77Confident7 Ų756.1 Ų56.13%0.03228%0.284CS..EExtended strand (participates in β ladder)trans-113.6143176.9-61.5-69.5000111.2H373 Y444H373-H428 WeakPolarHBondContact CB-CE1 3.24Å; H373-H428 WeakPolarHBondContact CB-NE2 3.26Å; H373-H428 AromaticContact CD2-CD2 3.49Å; H373-H428 PolarHBondContact CD2-CD2 2.87Å; H373-H428 VanDerWaalsContact CD2-CD2 3.49Å; H373-H428 AromaticContact CD2-CG 3.96Å; H373-H428 AromaticContact CD2-NE2 3.65Å; H373-H428 AromaticContact CE1-CG 3.73Å; H373-H428 AromaticContact CG-CD2 3.55Å; H373-H428 AromaticContact CG-CE1 3.47Å; H373-H428 VanDerWaalsContact CG-CE1 3.47Å; H373-H428 AromaticContact CG-CG 3.75Å; H373-H428 AromaticContact CG-ND1 3.71Å; H373-H428 AromaticContact CG-NE2 3.37Å; H373-H428 AromaticContact ND1-CD2 3.85Å; H373-H428 AromaticContact ND1-CE1 3.74Å; H373-H428 AromaticContact ND1-CG 3.56Å; H373-H428 AromaticContact ND1-ND1 3.5Å; H373-H428 AromaticContact ND1-NE2 3.96Å; H373-H428 AromaticContact NE2-CD2 3.85Å; H428-Y444 PolarHBondContact O-N 2.86Å
429Y89.8Confident78.8Confident22 Ų2255.5 Ų55.59%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-129.8144.2177.3-62-72.3000110.6E95 L128 A415 I418 I427 V441 Y442 H443E95-Y429 WeakPolarHBondContact OE2-CE1 3.13Å; L128-Y429 HydrophobicContact CD1-CD2 3.72Å; L128-Y429 HydrophobicContact CD1-CE2 3.69Å; A415-Y429 HydrophobicContact CB-CD2 4.39Å; A415-Y429 WeakPolarHBondContact CB-O 3.42Å; A415-Y429 PolarHBondContact N-O 3.27Å; I418-Y429 HydrophobicContact CD1-CE2 4.41Å; I427-Y429 HydrophobicContact CB-CE2 4.38Å; I427-Y429 HydrophobicContact CG2-CD2 4.2Å; I427-Y429 HydrophobicContact CG2-CE1 3.92Å; I427-Y429 HydrophobicContact CG2-CE2 3.51Å; I427-Y429 WeakPolarHBondContact CG2-OH 3.37Å; Y429-V441 HydrophobicContact CD1-CG1 3.8Å; Y429-V441 HydrophobicContact CG-CG1 4.09Å; Y429-Y442 CarbonylContact C-O 3.53Å; Y429-Y442 VanDerWaalsContact CA-O 3.25Å; Y429-Y442 WeakPolarHBondContact CA-O 3.19Å; Y429-H443 HydrophobicContact CD1-CB 4.08Å; Y429-H443 HydrophobicContact CE1-CB 3.79Å; Y429-H443 AromaticContact CE1-ND1 3.62Å
430I93.9Very high80.8Confident0 Ų047.3 Ų47.30%025%0.245CC..EExtended strand (participates in β ladder)trans-102131.7166.1-60.7163.4000106.6P92 V379 L389 L402 W414 Y442P92-I430 HydrophobicContact CB-CD1 4.12Å; P92-I430 HydrophobicContact CG-CD1 3.92Å; V379-I430 HydrophobicContact CB-CG2 4.41Å; V379-I430 HydrophobicContact CG1-CD1 3.79Å; V379-I430 HydrophobicContact CG1-CG1 4.05Å; V379-I430 HydrophobicContact CG1-CG2 3.87Å; V379-I430 HydrophobicContact CG2-CG2 4.33Å; L389-I430 HydrophobicContact CD2-CD1 4.46Å; L402-I430 HydrophobicContact CD1-CD1 3.77Å; L402-I430 HydrophobicContact CD1-CG2 4.09Å; W414-I430 HydrophobicContact CD2-CG1 4.07Å; W414-I430 HydrophobicContact CE3-CG1 3.83Å; W414-I430 HydrophobicContact CH2-CD1 3.67Å; W414-I430 HydrophobicContact CH2-CG1 3.62Å; W414-I430 HydrophobicContact CZ2-CD1 3.96Å; W414-I430 HydrophobicContact CZ2-CG1 3.88Å; W414-I430 HydrophobicContact CZ3-CD1 4.08Å; W414-I430 HydrophobicContact CZ3-CG1 3.56Å; I430-Y442 PolarHBondContact N-O 2.97Å; I430-Y442 PolarHBondContact O-N 2.8Å
431L94.7Very high82.8Confident0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-114.1141.2176.2-67.2167.5000109.7V107 R109 I114 V412 D413 V439 K440 V441V107-L431 HydrophobicContact CG2-CB 4.46Å; V107-L431 HydrophobicContact CG2-CD1 4.42Å; R109-L431 HydrophobicContact CB-CD1 3.36Å; R109-L431 HydrophobicContact CG-CD1 3.91Å; I114-L431 HydrophobicContact CD1-CD2 3.84Å; I114-L431 HydrophobicContact CG1-CD1 4.18Å; I114-L431 HydrophobicContact CG1-CD2 4.37Å; V412-L431 WeakPolarHBondContact CA-O 3.21Å; D413-L431 HydrophobicContact CB-CB 4.42Å; D413-L431 PolarHBondContact N-O 3.14Å; D413-L431 PolarHBondContact O-N 3.29Å; L431-V439 HydrophobicContact CD2-CG1 4.19Å; L431-K440 WeakPolarHBondContact CA-O 3.33Å; L431-V441 HydrophobicContact CD2-CB 4.15Å; L431-V441 HydrophobicContact CD2-CG1 4Å; L431-V441 HydrophobicContact CD2-CG2 3.64Å
432S96.4Very high84.9Confident0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-140.4131.7172.456.10000110.2H405 D411 V439 K440H405-S432 WeakPolarHBondContact NE2-CB 3.21Å; H405-S432 PolarHBondContact NE2-O 3.15Å; H405-S432 PolarHBondContact NE2-OG 3.02Å; D411-S432 WeakPolarHBondContact O-CA 3.47Å; S432-V439 CarbonylContact O-C 3.56Å; S432-V439 VanDerWaalsContact O-CA 3.25Å; S432-V439 WeakPolarHBondContact O-CA 3.48Å; S432-K440 PolarHBondContact N-O 3.44Å; S432-K440 VanDerWaalsContact N-O 3.12Å; S432-K440 PolarHBondContact O-N 3.12Å
433S95.8Very high86.7Confident0 Ų032.6 Ų32.60%016%0.161CC..EExtended strand (participates in β ladder)trans-102.8155.6170.360.60000110.8V409 T410 D411V409-S433 CarbonylContact C-O 3.51Å; V409-S433 WeakPolarHBondContact CA-O 3.44Å; V409-S433 WeakPolarHBondContact CG1-O 3.5Å; T410-S433 PolarHBondContact N-O 2.75Å; T410-S433 VanDerWaalsContact OG1-C 3.24Å; T410-S433 PolarHBondContact OG1-O 3.41Å; T410-S433 PolarHBondContact OG1-OG 3.1Å; D411-S433 WeakPolarHBondContact CB-OG 3.41Å; D411-S433 PolarHBondContact N-OG 2.97Å; D411-S433 PolarHBondContact O-N 3.16Å; D411-S433 PolarHBondContact O-OG 3.47Å
434S96.8Very high88.6Confident0 Ų026.1 Ų26.10%014%0.135CC..EExtended strand (participates in β ladder)trans-147.8164.4-177.7174.20000112.8I104 H405 D407 I408 T410 D436 S437 T438I104-S434 PolarHBondContact N-O 3.29Å; H405-S434 VanDerWaalsContact CE1-CB 3.43Å; H405-S434 WeakPolarHBondContact CE1-CB 3.48Å; H405-S434 WeakPolarHBondContact ND1-CB 3.42Å; D407-S434 PolarHBondContact O-OG 2.8Å; I408-S434 WeakPolarHBondContact O-CA 3.41Å; I408-S434 VanDerWaalsContact O-CB 3.24Å; I408-S434 WeakPolarHBondContact O-CB 3.14Å; I408-S434 PolarHBondContact O-OG 2.85Å; T410-S434 PolarHBondContact OG1-N 3.26Å; S434-D436 VanDerWaalsContact CB-OD1 3.23Å; S434-D436 WeakPolarHBondContact CB-OD1 3.27Å; S434-D436 PolarHBondContact O-N 3.49Å; S434-D436 VanDerWaalsContact OG-CG 3.29Å; S434-D436 PolarHBondContact OG-N 3.16Å; S434-D436 VanDerWaalsContact OG-N 3.15Å; S434-D436 PolarHBondContact OG-OD1 3.25Å; S434-S437 PolarHBondContact O-N 2.73Å; S434-T438 PolarHBondContact N-O 3.33Å; S434-T438 VanDerWaalsContact N-O 3.15Å
435A95.8Very high89.7Confident15 Ų1518.5 Ų18.512%0.12410%0.095CC..THydrogen-bonded Turntrans-68.1-9.3166.900000114.7L103 D407 I408 S437L103-A435 HydrophobicContact CD1-CB 3.42Å; L103-A435 VanDerWaalsContact CD1-CB 3.42Å; L103-A435 HydrophobicContact CG-CB 3.85Å; D407-A435 HydrophobicContact CB-CB 4.02Å; I408-A435 HydrophobicContact CD1-CB 4.12Å; I408-A435 HydrophobicContact CG1-CB 3.39Å; I408-A435 PolarHBondContact O-N 3.36Å; A435-S437 PolarHBondContact O-N 3.47Å
436D95.2Very high89.8Confident34 Ų3417.7 Ų17.718%0.1829%0.094CC..THydrogen-bonded Turntrans-76.712.3170.169.211.9000113.7H405 A406 D407 S434 T438H405-D436 WeakPolarHBondContact CA-OD2 3.33Å; H405-D436 WeakPolarHBondContact CB-OD2 3.38Å; H405-D436 IonicContact CE1-OD1 2.8Å; H405-D436 IonicContact CG-OD2 3.94Å; H405-D436 IonicContact ND1-OD1 3.85Å; H405-D436 PolarHBondContact ND1-OD1 2.94Å; H405-D436 IonicContact ND1-OD2 2.65Å; H405-D436 PolarHBondContact ND1-OD2 2.98Å; A406-D436 HydrophobicContact CB-CB 4.02Å; A406-D436 PolarHBondContact N-OD2 3.49Å; D407-D436 HydrophobicContact CB-CB 4.02Å; S434-D436 VanDerWaalsContact CB-OD1 3.23Å; S434-D436 WeakPolarHBondContact CB-OD1 3.27Å; S434-D436 PolarHBondContact O-N 3.49Å; S434-D436 VanDerWaalsContact OG-CG 3.29Å; S434-D436 PolarHBondContact OG-N 3.16Å; S434-D436 VanDerWaalsContact OG-N 3.15Å; S434-D436 PolarHBondContact OG-OD1 3.25Å; D436-T438 VanDerWaalsContact CG-OG1 3.3Å; D436-T438 PolarHBondContact O-N 3.41Å; D436-T438 WeakPolarHBondContact OD1-CA 3.21Å; D436-T438 WeakPolarHBondContact OD1-CB 3.47Å; D436-T438 PolarHBondContact OD1-N 2.71Å; D436-T438 PolarHBondContact OD1-OG1 3.18Å; D436-T438 PolarHBondContact OD2-OG1 2.78Å
437S95.5Very high90.8Very high22 Ų2216.5 Ų16.515%0.1549%0.085CC..SBendtrans6320.9-178.5-47.30000114.2V99 Q100 D102 I104 S434 A435V99-S437 WeakPolarHBondContact CA-O 3.23Å; Q100-S437 PolarHBondContact N-O 2.62Å; Q100-S437 WeakPolarHBondContact O-CB 3.43Å; D102-S437 VanDerWaalsContact C-OG 3.22Å; D102-S437 WeakPolarHBondContact O-CA 3.28Å; D102-S437 VanDerWaalsContact O-CB 3.29Å; D102-S437 WeakPolarHBondContact O-CB 3.45Å; D102-S437 PolarHBondContact O-OG 3.24Å; D102-S437 VanDerWaalsContact O-OG 3.1Å; I104-S437 VanDerWaalsContact CD1-C 3.45Å; S434-S437 PolarHBondContact O-N 2.73Å; A435-S437 PolarHBondContact O-N 3.47Å
438T95.4Very high91.5Very high12 Ų1216.7 Ų16.77%0.0749%0.086CC..EExtended strand (participates in β ladder)trans-117143.5177.374.90000114Y98 V99 H405 S434 D436 K440Y98-T438 CarbonylContact O-C 3.51Å; Y98-T438 VanDerWaalsContact O-CA 3.25Å; Y98-T438 WeakPolarHBondContact O-CA 3.16Å; V99-T438 HydrophobicContact CG2-CG2 4.2Å; H405-T438 PolarHBondContact CE1-OG1 3.5Å; H405-T438 PolarHBondContact ND1-OG1 3.31Å; S434-T438 PolarHBondContact N-O 3.33Å; S434-T438 VanDerWaalsContact N-O 3.15Å; D436-T438 VanDerWaalsContact CG-OG1 3.3Å; D436-T438 PolarHBondContact O-N 3.41Å; D436-T438 WeakPolarHBondContact OD1-CA 3.21Å; D436-T438 WeakPolarHBondContact OD1-CB 3.47Å; D436-T438 PolarHBondContact OD1-N 2.71Å; D436-T438 PolarHBondContact OD1-OG1 3.18Å; D436-T438 PolarHBondContact OD2-OG1 2.78Å; T438-K440 WeakPolarHBondContact OG1-CE 3.13Å
439V95.1Very high91.7Very high0 Ų017.2 Ų17.20%09%0.089CC..EExtended strand (participates in β ladder)trans-102.5121.3157.1178.80000108.5E97 Y98 I104 V107 T116 L431 S432E97-V439 CarbonylContact C-O 3.55Å; E97-V439 WeakPolarHBondContact CA-O 3.44Å; Y98-V439 HydrophobicContact CD2-CB 4.38Å; Y98-V439 PolarHBondContact N-O 3.38Å; Y98-V439 PolarHBondContact O-N 2.95Å; I104-V439 HydrophobicContact CD1-CG2 3.7Å; I104-V439 HydrophobicContact CG2-CG2 4.32Å; V107-V439 HydrophobicContact CG2-CG1 4.06Å; V107-V439 HydrophobicContact CG2-CG2 4.43Å; T116-V439 HydrophobicContact CG2-CG2 3.56Å; L431-V439 HydrophobicContact CD2-CG1 4.19Å; S432-V439 CarbonylContact O-C 3.56Å; S432-V439 VanDerWaalsContact O-CA 3.25Å; S432-V439 WeakPolarHBondContact O-CA 3.48Å
440K95.1Very high91.9Very high16 Ų1616.9 Ų16.97%0.079%0.089CC..EExtended strand (participates in β ladder)trans-99.3142175.4-66.3179.4-169-77.30110.7Y94 E97 G404 H405 L431 S432 T438 Y442Y94-K440 HydrophobicContact CE2-CG 4.35Å; E97-K440 HydrophobicContact CB-CG 4.13Å; E97-K440 IonicContact OE2-NZ 3.14Å; E97-K440 PolarHBondContact OE2-NZ 3.26Å; G404-K440 VanDerWaalsContact C-CE 3.43Å; G404-K440 WeakPolarHBondContact O-CE 3.46Å; G404-K440 PolarHBondContact O-NZ 3.47Å; H405-K440 WeakPolarHBondContact ND1-CE 3.26Å; L431-K440 WeakPolarHBondContact CA-O 3.33Å; S432-K440 PolarHBondContact N-O 3.44Å; S432-K440 VanDerWaalsContact N-O 3.12Å; S432-K440 PolarHBondContact O-N 3.12Å; T438-K440 WeakPolarHBondContact OG1-CE 3.13Å; K440-Y442 HydrophobicContact CB-CD2 4.45Å; K440-Y442 HydrophobicContact CB-CE2 3.6Å; K440-Y442 WeakPolarHBondContact CD-OH 3.31Å
441V93.6Very high91.7Very high0 Ų018 Ų180%09%0.094CC..EExtended strand (participates in β ladder)trans-118.3124.5179-168.20000108.8E95 R96 Y98 I114 L128 Y429 L431E95-V441 PolarHBondContact N-O 3.17Å; R96-V441 HydrophobicContact CG-CB 3.87Å; R96-V441 HydrophobicContact CG-CG2 3.75Å; R96-V441 PolarHBondContact N-O 3.5Å; R96-V441 PolarHBondContact O-N 2.98Å; Y98-V441 HydrophobicContact CD2-CG2 4.17Å; Y98-V441 HydrophobicContact CE2-CG2 3.67Å; I114-V441 HydrophobicContact CD1-CG2 4.38Å; L128-V441 HydrophobicContact CD2-CG1 3.94Å; L128-V441 HydrophobicContact CD2-CG2 4.31Å; Y429-V441 HydrophobicContact CD1-CG1 3.8Å; Y429-V441 HydrophobicContact CG-CG1 4.09Å; L431-V441 HydrophobicContact CD2-CB 4.15Å; L431-V441 HydrophobicContact CD2-CG1 4Å; L431-V441 HydrophobicContact CD2-CG2 3.64Å
442Y93.3Very high91.5Very high6 Ų619.2 Ų19.22%0.02410%0.101CC..EExtended strand (participates in β ladder)trans-116.6120.5176.2-55.9-95.5000109.6K93 Y94 L402 Y429 I430 K440 Y444K93-Y442 CarbonylContact O-C 3.55Å; K93-Y442 VanDerWaalsContact O-CA 3.28Å; K93-Y442 WeakPolarHBondContact O-CA 3.21Å; Y94-Y442 HydrophobicContact CD2-CD1 4.48Å; Y94-Y442 HydrophobicContact CD2-CE1 4.06Å; L402-Y442 HydrophobicContact CB-CD1 4.42Å; L402-Y442 HydrophobicContact CB-CE1 4.09Å; L402-Y442 HydrophobicContact CB-CE2 4.37Å; L402-Y442 HydrophobicContact CD1-CD2 4.42Å; L402-Y442 HydrophobicContact CD1-CG 4.37Å; L402-Y442 HydrophobicContact CD2-CD1 3.74Å; L402-Y442 HydrophobicContact CD2-CE1 4.12Å; L402-Y442 HydrophobicContact CD2-CG 4.11Å; L402-Y442 PolarHBondContact O-OH 2.93Å; Y429-Y442 CarbonylContact C-O 3.53Å; Y429-Y442 VanDerWaalsContact CA-O 3.25Å; Y429-Y442 WeakPolarHBondContact CA-O 3.19Å; I430-Y442 PolarHBondContact N-O 2.97Å; I430-Y442 PolarHBondContact O-N 2.8Å; K440-Y442 HydrophobicContact CB-CD2 4.45Å; K440-Y442 HydrophobicContact CB-CE2 3.6Å; K440-Y442 WeakPolarHBondContact CD-OH 3.31Å; Y442-Y444 PolarHBondContact O-N 3.35Å
443H89.7Confident91.2Very high55 Ų5520.6 Ų20.626%0.25511%0.108SC..EExtended strand (participates in β ladder)trans-70.6121171.2176.165.1000109.8P92 K93 I427 Y429 P445P92-H443 CarbonylContact C-O 3.58Å; P92-H443 VanDerWaalsContact CA-O 3.31Å; P92-H443 WeakPolarHBondContact CA-O 3.44Å; K93-H443 PolarHBondContact N-O 2.65Å; K93-H443 PolarHBondContact O-N 2.76Å; I427-H443 VanDerWaalsContact CG2-CE1 3.46Å; I427-H443 WeakPolarHBondContact CG2-CE1 3.28Å; I427-H443 VanDerWaalsContact CG2-ND1 3.35Å; I427-H443 WeakPolarHBondContact CG2-ND1 3.22Å; Y429-H443 HydrophobicContact CD1-CB 4.08Å; Y429-H443 HydrophobicContact CE1-CB 3.79Å; Y429-H443 AromaticContact CE1-ND1 3.62Å; H443-P445 WeakPolarHBondContact O-CD 3.31Å
444Y88.2Confident90.8Very high1 Ų122.2 Ų22.20%0.00412%0.116CC..EExtended strand (participates in β ladder)trans-105.1108.7175.9-170.5-134000110.8Q89 P92 H373 Q377 L389 W414 H428 Y442Q89-Y444 PolarHBondContact OE1-OH 3.21Å; P92-Y444 HydrophobicContact CB-CD2 3.89Å; P92-Y444 HydrophobicContact CG-CD2 3.5Å; P92-Y444 VanDerWaalsContact CG-CD2 3.5Å; P92-Y444 HydrophobicContact CG-CE2 3.91Å; P92-Y444 HydrophobicContact CG-CG 4.36Å; H373-Y444 AromaticContact CE1-CD1 3.79Å; H373-Y444 AromaticContact NE2-CD1 3.6Å; H373-Y444 AromaticContact NE2-CE1 3.7Å; Q377-Y444 PolarHBondContact OE1-OH 3.42Å; L389-Y444 HydrophobicContact CD2-CD2 4.28Å; L389-Y444 HydrophobicContact CD2-CE1 4.41Å; L389-Y444 HydrophobicContact CD2-CE2 3.67Å; W414-Y444 AromaticContact CH2-CD1 3.51Å; W414-Y444 HydrophobicContact CH2-CD1 3.51Å; W414-Y444 AromaticContact CH2-CE1 3.81Å; W414-Y444 HydrophobicContact CH2-CE1 3.81Å; W414-Y444 HydrophobicContact CH2-CG 4.21Å; W414-Y444 AromaticContact CZ3-CD1 3.58Å; W414-Y444 HydrophobicContact CZ3-CD1 3.58Å; W414-Y444 HydrophobicContact CZ3-CE1 4.29Å; W414-Y444 HydrophobicContact CZ3-CG 4.23Å; H428-Y444 PolarHBondContact O-N 2.86Å; Y442-Y444 PolarHBondContact O-N 3.35Å
445P78.6Confident90.3Very high18 Ų1824 Ų2412%0.11713%0.126CC..  trans-69.6153.617928.5-35.4000112.6Q90 R374 H443Q90-P445 HydrophobicContact CB-CB 4.48Å; Q90-P445 HydrophobicContact CB-CG 3.54Å; R374-P445 PolarHBondContact NH2-O 3.28Å; H443-P445 WeakPolarHBondContact O-CD 3.31Å
446E68.5Low89.8Confident109 Ų10924.8 Ų24.851%0.50913%0.126SC..  trans-64.30170.6-85.8-167.1172.100114.1R374 K425 P426R374-E446 VanDerWaalsContact NH2-C 3.26Å; R374-E446 PolarHBondContact NH2-OXT 2.81Å; K425-E446 WeakPolarHBondContact CD-OE2 3.24Å; K425-E446 WeakPolarHBondContact CE-OE2 3.15Å; K425-E446 IonicContact NZ-OE2 2.59Å; K425-E446 PolarHBondContact NZ-OE2 3.24Å; P426-E446 WeakPolarHBondContact CD-OE1 3.46Å

Retrieved 446 of 446 residues in 116 ms (Link to these results)

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