A0A3Q0KLM6_SCHMA Loading...

Proteasome subunit alpha 6 (T01 family)

AlphaFold DB , UniProt , Accession A0A3Q0KLM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 723 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
1M43.3Very low70Confident113 Ų11356.7 Ų56.756%0.55732%0.315SS*.  0126.70-75.2-173.1154.800108.3V3 E703M1-V3 HydrophobicContact CB-CG2 4.4Å; M1-V3 PolarHBondContact O-N 3.06Å; M1-E703 HydrophobicContact CE-CB 3.54Å; M1-E703 HydrophobicContact CE-CG 3.31Å; M1-E703 VanDerWaalsContact CE-OE1 3.26Å; M1-E703 WeakPolarHBondContact CE-OE1 3.43Å; M1-E703 WeakPolarHBondContact CE-OE2 3.1Å; M1-E703 HydrophobicContact SD-CB 4.26Å; M1-E703 HydrophobicContact SD-CG 4.42Å
2S52.5Low70.2Confident102 Ų10262.2 Ų62.271%0.71333%0.327SS*.  trans-79.594.1167.754.20000107.7N4S2-N4 PolarHBondContact O-N 3.02Å
3V56.6Low70.3Confident23 Ų2367.3 Ų67.314%0.13936%0.355CS..  trans-83.6108.7168.6-179.80000106.6M1 V5 V23 L710 I711M1-V3 HydrophobicContact CB-CG2 4.4Å; M1-V3 PolarHBondContact O-N 3.06Å; V3-V5 HydrophobicContact CG1-CG2 3.89Å; V3-V5 PolarHBondContact O-N 2.87Å; V3-V23 WeakPolarHBondContact CA-O 3.37Å; V3-L710 HydrophobicContact CB-CD1 4.15Å; V3-L710 HydrophobicContact CG2-CB 4.4Å; V3-L710 HydrophobicContact CG2-CD1 3.55Å; V3-I711 HydrophobicContact CG1-CD1 4.43Å; V3-I711 HydrophobicContact CG1-CG1 4.16Å
4N64.6Low70.2Confident82 Ų8267.3 Ų67.344%0.43936%0.363SS..EExtended strand (participates in β ladder)trans-76.7117.2170.8-71.1-24.3000107.4S2 G22 V23S2-N4 PolarHBondContact O-N 3.02Å; N4-G22 WeakPolarHBondContact O-CA 3.22Å; N4-V23 PolarHBondContact O-N 3.3Å
5V70.1Confident70.5Confident55 Ų5569 Ų6933%0.33337%0.372SS..EExtended strand (participates in β ladder)trans-105.7135.3176.5-173.50000108.9V3 I20 V21 I711 S714V3-V5 HydrophobicContact CG1-CG2 3.89Å; V3-V5 PolarHBondContact O-N 2.87Å; V5-I20 HydrophobicContact CG1-CG2 3.53Å; V5-V21 CarbonylContact C-O 3.3Å; V5-V21 VanDerWaalsContact CA-O 3.29Å; V5-V21 WeakPolarHBondContact CA-O 3.41Å; V5-I711 HydrophobicContact CG2-CG1 4.45Å; V5-S714 WeakPolarHBondContact CG1-OG 3.38Å
6G74.4Confident71.1Confident15 Ų1569.5 Ų69.516%0.15537%0.374CS..EExtended strand (participates in β ladder)trans-144.2147.4175.800000112.5V21G6-V21 PolarHBondContact N-O 2.92Å; G6-V21 PolarHBondContact O-N 3.09Å
7L79.4Confident71.8Confident79 Ų7968.5 Ų68.541%0.41437%0.365SS..EExtended strand (participates in β ladder)trans-86.1124.4169.9-78.6176000110.4I20 E718L7-I20 HydrophobicContact CD2-CG1 3.74Å; L7-E718 WeakPolarHBondContact CD1-OE1 3.18Å; L7-E718 WeakPolarHBondContact CD2-OE2 3.06Å; L7-E718 WeakPolarHBondContact CG-OE1 3.38Å
8L85.4Confident72.5Confident3 Ų367.8 Ų67.82%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-135.2172.5175-66.2177.9000109.8C19 V21 F83 F103 C105 W114L8-C19 PolarHBondContact N-O 2.99Å; L8-C19 PolarHBondContact O-N 2.88Å; L8-C19 PolarHBondContact O-SG 2.8Å; L8-C19 VanDerWaalsContact O-SG 3.33Å; L8-V21 HydrophobicContact CB-CG2 4.2Å; L8-V21 HydrophobicContact CD1-CB 4.37Å; L8-V21 HydrophobicContact CD1-CG2 3.84Å; L8-V21 HydrophobicContact CG-CG2 4.3Å; L8-F83 HydrophobicContact CD1-CE1 3.8Å; L8-F83 HydrophobicContact CD1-CZ 3.66Å; L8-F103 HydrophobicContact CB-CD1 4.38Å; L8-F103 HydrophobicContact CD1-CB 4.09Å; L8-F103 HydrophobicContact CD1-CD1 4.16Å; L8-F103 HydrophobicContact CD1-CG 4.35Å; L8-C105 HydrophobicContact CD2-CB 4.39Å; L8-W114 HydrophobicContact CD1-CD2 4.49Å; L8-W114 HydrophobicContact CD1-CZ2 4.23Å
9H83.3Confident73.2Confident83 Ų8364.2 Ų64.238%0.38435%0.346SS..EExtended strand (participates in β ladder)trans-111.9124.2168.6-6675.1000110.6L16 F17 F103 Y104H9-L16 HydrophobicContact CB-CB 4.3Å; H9-L16 HydrophobicContact CB-CD2 4.39Å; H9-F17 CarbonylContact C-O 3.6Å; H9-F17 WeakPolarHBondContact CA-O 3.2Å; H9-F103 CarbonylContact O-C 3.6Å; H9-F103 WeakPolarHBondContact O-CA 3.35Å; H9-Y104 PolarHBondContact N-O 3.43Å; H9-Y104 PolarHBondContact O-N 2.86Å
10R83.4Confident73.7Confident34 Ų3461.1 Ų61.113%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-89.4128.1176.7-174.372-175.874.716.1110.5F17 C19 T32 S101 T102R10-F17 PolarHBondContact N-O 3.4Å; R10-F17 PolarHBondContact O-N 3.17Å; R10-C19 HydrophobicContact CB-CB 4.2Å; R10-T32 HydrophobicContact CB-CG2 4.14Å; R10-S101 VanDerWaalsContact NH2-CA 3.32Å; R10-S101 PolarHBondContact NH2-OG 2.84Å; R10-T102 WeakPolarHBondContact CD-O 3.43Å; R10-T102 PolarHBondContact NH1-O 3.49Å
11L77.1Confident74.5Confident35 Ų3558.2 Ų58.218%0.18331%0.313CS..EExtended strand (participates in β ladder)trans-80.1117.3171.3-177.769000111.8N15 L16 L72 T102 Y104L11-N15 CarbonylContact C-O 3.51Å; L11-N15 WeakPolarHBondContact CA-O 3.29Å; L11-L16 HydrophobicContact CB-CD2 4.09Å; L11-L16 HydrophobicContact CD1-CD2 4.01Å; L11-L72 HydrophobicContact CD2-CD2 4.1Å; L11-T102 HydrophobicContact CB-CG2 4.37Å; L11-T102 HydrophobicContact CD2-CG2 4.3Å; L11-T102 PolarHBondContact N-O 2.92Å; L11-T102 VanDerWaalsContact N-O 3.14Å; L11-Y104 HydrophobicContact CB-CD2 4.39Å; L11-Y104 HydrophobicContact CB-CE2 3.85Å; L11-Y104 HydrophobicContact CD2-CE2 4.19Å; L11-Y104 HydrophobicContact CG-CE2 4.42Å
12R72.3Confident76.6Confident122 Ų12252.8 Ų52.846%0.4629%0.287SS..EExtended strand (participates in β ladder)trans-140.1132.8174.8177.1-178.6177.6-178.72109.5S14 N15 F17 E35R12-S14 PolarHBondContact O-N 2.84Å; R12-S14 VanDerWaalsContact O-N 3.13Å; R12-N15 PolarHBondContact N-O 3.17Å; R12-N15 PolarHBondContact O-N 3.33Å; R12-N15 VanDerWaalsContact O-O 3.11Å; R12-F17 HydrophobicContact CB-CD2 3.99Å; R12-F17 HydrophobicContact CB-CE2 3.92Å; R12-E35 IonicContact NH1-OE1 3.95Å; R12-E35 PolarHBondContact NH1-OE1 2.8Å
13D71.4Confident78.4Confident129 Ų12948.1 Ų48.169%0.6925%0.254SS*.THydrogen-bonded Turntrans48.344178.1-52.3-38.2000112.1N15D13-N15 PolarHBondContact O-N 3.28Å; D13-N15 VanDerWaalsContact O-N 3.15Å; D13-N15 PolarHBondContact O-ND2 3.05Å
14S69.3Low79.9Confident67 Ų6748 Ų4847%0.46925%0.254SS..THydrogen-bonded Turntrans64.86.2-176.4-54.90000116.8R12R12-S14 PolarHBondContact O-N 2.84Å; R12-S14 VanDerWaalsContact O-N 3.13Å
15N74.7Confident80.9Confident93 Ų9351.9 Ų51.950%0.49727%0.266SS..EExtended strand (participates in β ladder)trans-108.9147.2176.9-66.9-56.4000111.7L11 R12 D13 F17L11-N15 CarbonylContact C-O 3.51Å; L11-N15 WeakPolarHBondContact CA-O 3.29Å; R12-N15 PolarHBondContact N-O 3.17Å; R12-N15 PolarHBondContact O-N 3.33Å; R12-N15 VanDerWaalsContact O-O 3.11Å; D13-N15 PolarHBondContact O-N 3.28Å; D13-N15 VanDerWaalsContact O-N 3.15Å; D13-N15 PolarHBondContact O-ND2 3.05Å; N15-F17 HydrophobicContact CB-CD2 4.38Å; N15-F17 HydrophobicContact CB-CE2 3.59Å; N15-F17 HydrophobicContact CB-CZ 3.71Å
16L80.5Confident81.9Confident77 Ų7752.6 Ų52.640%0.40327%0.268SS..EExtended strand (participates in β ladder)trans-95.3123.8174-68.5177.1000109.2H9 L11 Y104H9-L16 HydrophobicContact CB-CB 4.3Å; H9-L16 HydrophobicContact CB-CD2 4.39Å; L11-L16 HydrophobicContact CB-CD2 4.09Å; L11-L16 HydrophobicContact CD1-CD2 4.01Å; L16-Y104 HydrophobicContact CD2-CD2 3.3Å; L16-Y104 HydrophobicContact CD2-CE2 3.55Å; L16-Y104 HydrophobicContact CD2-CG 3.87Å
17F82.3Confident82.7Confident53 Ų5354 Ų5423%0.23227%0.271CS..EExtended strand (participates in β ladder)trans-114.6127.5176.8-62.4-81.2000109.3H9 R10 R12 N15 C19 T32 S34H9-F17 CarbonylContact C-O 3.6Å; H9-F17 WeakPolarHBondContact CA-O 3.2Å; R10-F17 PolarHBondContact N-O 3.4Å; R10-F17 PolarHBondContact O-N 3.17Å; R12-F17 HydrophobicContact CB-CD2 3.99Å; R12-F17 HydrophobicContact CB-CE2 3.92Å; N15-F17 HydrophobicContact CB-CD2 4.38Å; N15-F17 HydrophobicContact CB-CE2 3.59Å; N15-F17 HydrophobicContact CB-CZ 3.71Å; F17-C19 PolarHBondContact O-N 3.16Å; F17-T32 HydrophobicContact CB-CG2 3.97Å; F17-S34 WeakPolarHBondContact CD1-OG 2.91Å
18P84.7Confident83.4Confident55 Ų5550.2 Ų50.236%0.35725%0.251SS..EExtended strand (participates in β ladder)trans-52.4132.2168.2-24.634.2000109.8T32 L33P18-T32 CarbonylContact O-C 3.56Å; P18-T32 WeakPolarHBondContact O-CA 3.43Å; P18-L33 HydrophobicContact CB-CB 4.32Å; P18-L33 HydrophobicContact CB-CD1 3.93Å; P18-L33 HydrophobicContact CB-CG 4.32Å; P18-L33 PolarHBondContact O-N 3.46Å
19C84.8Confident83.7Confident0 Ų050.3 Ų50.30%025%0.252CS..EExtended strand (participates in β ladder)trans-139.3142.1177.966.10000111.3L8 R10 F17 R31 T32L8-C19 PolarHBondContact N-O 2.99Å; L8-C19 PolarHBondContact O-N 2.88Å; L8-C19 PolarHBondContact O-SG 2.8Å; L8-C19 VanDerWaalsContact O-SG 3.33Å; R10-C19 HydrophobicContact CB-CB 4.2Å; F17-C19 PolarHBondContact O-N 3.16Å; C19-R31 CarbonylContact C-O 3.58Å; C19-R31 WeakPolarHBondContact CA-O 3.49Å; C19-R31 VanDerWaalsContact CB-O 3.23Å; C19-R31 WeakPolarHBondContact CB-O 2.96Å; C19-T32 HydrophobicContact CB-CG2 4.1Å
20I84.5Confident83.9Confident2 Ų247.2 Ų47.21%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-91.3127.4170-65173.5000107V5 L7 W30 R31 L33 I711 M715V5-I20 HydrophobicContact CG1-CG2 3.53Å; L7-I20 HydrophobicContact CD2-CG1 3.74Å; I20-W30 CarbonylContact O-C 3.54Å; I20-W30 WeakPolarHBondContact O-CA 3.36Å; I20-W30 WeakPolarHBondContact O-CB 3.27Å; I20-R31 PolarHBondContact N-O 2.83Å; I20-R31 PolarHBondContact O-N 3.47Å; I20-L33 HydrophobicContact CD1-CD2 3.84Å; I20-L33 HydrophobicContact CG1-CD2 4.14Å; I20-I711 HydrophobicContact CG2-CG2 4.08Å; I20-M715 HydrophobicContact CD1-CB 3.76Å; I20-M715 HydrophobicContact CD1-CE 3.88Å; I20-M715 HydrophobicContact CD1-CG 3.35Å; I20-M715 HydrophobicContact CD1-SD 3.94Å
21V89Confident83.9Confident0 Ų047.8 Ų47.80%024%0.238CC..EExtended strand (participates in β ladder)trans-112.2129.4178.8-178.30000108.3V5 G6 L8 I28 L29 W30 F103 W114V5-V21 CarbonylContact C-O 3.3Å; V5-V21 VanDerWaalsContact CA-O 3.29Å; V5-V21 WeakPolarHBondContact CA-O 3.41Å; G6-V21 PolarHBondContact N-O 2.92Å; G6-V21 PolarHBondContact O-N 3.09Å; L8-V21 HydrophobicContact CB-CG2 4.2Å; L8-V21 HydrophobicContact CD1-CB 4.37Å; L8-V21 HydrophobicContact CD1-CG2 3.84Å; L8-V21 HydrophobicContact CG-CG2 4.3Å; V21-I28 HydrophobicContact CG1-CD1 3.7Å; V21-I28 HydrophobicContact CG1-CG1 3.85Å; V21-L29 CarbonylContact C-O 3.58Å; V21-L29 WeakPolarHBondContact CA-O 3.32Å; V21-W30 HydrophobicContact CB-CB 4.43Å; V21-W30 HydrophobicContact CG2-CB 3.85Å; V21-F103 HydrophobicContact CG2-CD1 4.19Å; V21-F103 HydrophobicContact CG2-CE1 3.97Å; V21-W114 HydrophobicContact CB-CH2 4.44Å; V21-W114 HydrophobicContact CG1-CH2 3.87Å; V21-W114 HydrophobicContact CG1-CZ2 4.47Å; V21-W114 HydrophobicContact CG1-CZ3 4.32Å
22G87.8Confident84.2Confident0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-119.3145.617300000110.8N4 L29N4-G22 WeakPolarHBondContact O-CA 3.22Å; G22-L29 PolarHBondContact N-O 3.32Å; G22-L29 PolarHBondContact O-N 3.24Å; G22-L29 VanDerWaalsContact O-O 3.08Å
23V89.9Confident84.3Confident4 Ų444.4 Ų44.42%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-123.7130.2175.3177.80000110.7V3 N4 I28 F47 W114 F117V3-V23 WeakPolarHBondContact CA-O 3.37Å; N4-V23 PolarHBondContact O-N 3.3Å; V23-I28 HydrophobicContact CG2-CB 4.32Å; V23-I28 HydrophobicContact CG2-CD1 4.19Å; V23-I28 HydrophobicContact CG2-CG1 4.07Å; V23-F47 HydrophobicContact CG1-CE2 4.03Å; V23-F47 HydrophobicContact CG1-CZ 3.57Å; V23-W114 HydrophobicContact CG2-CH2 3.99Å; V23-W114 HydrophobicContact CG2-CZ3 3.68Å; V23-F117 HydrophobicContact CB-CE1 4.05Å; V23-F117 HydrophobicContact CB-CZ 4.23Å; V23-F117 HydrophobicContact CG1-CE1 3.66Å; V23-F117 HydrophobicContact CG1-CZ 3.66Å; V23-F117 HydrophobicContact CG2-CE1 3.89Å
24T87.9Confident84.1Confident21 Ų2141.4 Ų41.413%0.12922%0.219CC..  trans-102.2-175.6173.573.30000110.3N26 E27 L29 S707T24-N26 PolarHBondContact O-N 2.74Å; T24-N26 PolarHBondContact OG1-N 3.37Å; T24-E27 PolarHBondContact N-O 3.5Å; T24-E27 PolarHBondContact OG1-N 3.32Å; T24-E27 PolarHBondContact OG1-O 3.33Å; T24-E27 VanDerWaalsContact OG1-O 3.06Å; T24-L29 HydrophobicContact CG2-CD2 4.06Å; T24-S707 WeakPolarHBondContact CG2-OG 3.49Å
25K86.5Confident83.6Confident163 Ų16341.2 Ų41.271%0.70921%0.211SC*.SBendtrans-59.5-34.6173-175.1-177173.6-176.20112.8T125K25-T125 WeakPolarHBondContact O-CG2 3.19Å
26N90.5Very high82.6Confident69 Ų6945 Ų4537%0.36923%0.23SC..SBendtrans-118.6-13.7-166.1-63.3-29.7000113.7T24 F47T24-N26 PolarHBondContact O-N 2.74Å; T24-N26 PolarHBondContact OG1-N 3.37Å; N26-F47 VanDerWaalsContact O-CD2 3.31Å; N26-F47 WeakPolarHBondContact O-CD2 3.47Å; N26-F47 PolarHBondContact O-N 2.77Å
27E92.7Very high81.4Confident44 Ų4451 Ų5121%0.20625%0.247CC..EExtended strand (participates in β ladder)trans-148.8150.3-169.3-44.8-166.6117.200112.1T24 Q44 I45T24-E27 PolarHBondContact N-O 3.5Å; T24-E27 PolarHBondContact OG1-N 3.32Å; T24-E27 PolarHBondContact OG1-O 3.33Å; T24-E27 VanDerWaalsContact OG1-O 3.06Å; E27-Q44 PolarHBondContact OE1-NE2 2.82Å; E27-Q44 PolarHBondContact OE2-NE2 3.24Å; E27-I45 WeakPolarHBondContact CA-O 3.22Å
28I93.3Very high80.1Confident0 Ų055.5 Ų55.50%028%0.279CS..EExtended strand (participates in β ladder)trans-101141.1162.2179.9160.8000109.1V21 V23 Q44 I45 I50 I85 W114 L118V21-I28 HydrophobicContact CG1-CD1 3.7Å; V21-I28 HydrophobicContact CG1-CG1 3.85Å; V23-I28 HydrophobicContact CG2-CB 4.32Å; V23-I28 HydrophobicContact CG2-CD1 4.19Å; V23-I28 HydrophobicContact CG2-CG1 4.07Å; I28-Q44 CarbonylContact O-C 3.43Å; I28-Q44 VanDerWaalsContact O-CA 3.31Å; I28-Q44 WeakPolarHBondContact O-CA 3.35Å; I28-I45 HydrophobicContact CG2-CB 4.04Å; I28-I45 PolarHBondContact N-O 2.85Å; I28-I45 PolarHBondContact O-N 3.07Å; I28-I50 HydrophobicContact CG2-CD1 3.9Å; I28-I85 HydrophobicContact CD1-CD1 3.72Å; I28-I85 HydrophobicContact CG2-CD1 4.27Å; I28-W114 HydrophobicContact CD1-CZ3 4.27Å; I28-L118 HydrophobicContact CB-CD2 4.47Å; I28-L118 HydrophobicContact CD1-CD1 4.11Å; I28-L118 HydrophobicContact CD1-CD2 3.74Å
29L91.1Very high78.6Confident6 Ų657.7 Ų57.73%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-143.4150.8-177.880.186.9000110.9V21 G22 T24 I42 K43 Q44 I711V21-L29 CarbonylContact C-O 3.58Å; V21-L29 WeakPolarHBondContact CA-O 3.32Å; G22-L29 PolarHBondContact N-O 3.32Å; G22-L29 PolarHBondContact O-N 3.24Å; G22-L29 VanDerWaalsContact O-O 3.08Å; T24-L29 HydrophobicContact CG2-CD2 4.06Å; L29-I42 HydrophobicContact CB-CG2 4.27Å; L29-I42 HydrophobicContact CD1-CG2 3.58Å; L29-I42 HydrophobicContact CG-CG2 4.49Å; L29-K43 CarbonylContact C-O 3.49Å; L29-K43 WeakPolarHBondContact CA-O 3.47Å; L29-K43 WeakPolarHBondContact CB-O 2.99Å; L29-Q44 HydrophobicContact CB-CB 3.98Å; L29-I711 HydrophobicContact CD1-CD1 3.08Å; L29-I711 HydrophobicContact CD1-CG1 4.46Å; L29-I711 HydrophobicContact CD2-CD1 3.69Å; L29-I711 HydrophobicContact CG-CD1 3.56Å
30W89.1Confident77.3Confident17 Ų1758.7 Ų58.76%0.06430%0.302CS..EExtended strand (participates in β ladder)trans-151.7158.9-178.468.292.1000113.3I20 V21 K43 I45 F103I20-W30 CarbonylContact O-C 3.54Å; I20-W30 WeakPolarHBondContact O-CA 3.36Å; I20-W30 WeakPolarHBondContact O-CB 3.27Å; V21-W30 HydrophobicContact CB-CB 4.43Å; V21-W30 HydrophobicContact CG2-CB 3.85Å; W30-K43 HydrophobicContact CD2-CB 3.87Å; W30-K43 VanDerWaalsContact CE2-CB 3.42Å; W30-K43 HydrophobicContact CE3-CB 4.36Å; W30-K43 HydrophobicContact CG-CB 4.37Å; W30-K43 HydrophobicContact CH2-CB 4.05Å; W30-K43 HydrophobicContact CZ2-CB 3.53Å; W30-K43 HydrophobicContact CZ2-CG 4.18Å; W30-K43 HydrophobicContact CZ3-CB 4.44Å; W30-K43 PolarHBondContact N-O 3.26Å; W30-K43 PolarHBondContact O-N 2.78Å; W30-I45 HydrophobicContact CH2-CD1 3.57Å; W30-I45 HydrophobicContact CH2-CG1 3.76Å; W30-I45 HydrophobicContact CZ3-CD1 3.76Å; W30-I45 HydrophobicContact CZ3-CG1 3.8Å; W30-F103 HydrophobicContact CB-CE1 4.42Å; W30-F103 HydrophobicContact CD2-CE1 4.09Å; W30-F103 AromaticContact CD2-CZ 3.77Å; W30-F103 HydrophobicContact CD2-CZ 3.77Å; W30-F103 AromaticContact CE3-CZ 3.88Å; W30-F103 HydrophobicContact CE3-CZ 3.88Å; W30-F103 HydrophobicContact CG-CE1 4.03Å; W30-F103 HydrophobicContact CG-CZ 4.2Å; W30-F103 HydrophobicContact CZ2-CZ 4.4Å; W30-F103 HydrophobicContact CZ3-CZ 4.26Å
31R83.3Confident76.7Confident46 Ų4662.9 Ų62.917%0.17433%0.327CS..EExtended strand (participates in β ladder)trans-136.6132175.4-177.1-178.5178.5-168.62.8110.3C19 I20 T40 M715C19-R31 CarbonylContact C-O 3.58Å; C19-R31 WeakPolarHBondContact CA-O 3.49Å; C19-R31 VanDerWaalsContact CB-O 3.23Å; C19-R31 WeakPolarHBondContact CB-O 2.96Å; I20-R31 PolarHBondContact N-O 2.83Å; I20-R31 PolarHBondContact O-N 3.47Å; R31-T40 HydrophobicContact CG-CG2 4.3Å; R31-T40 PolarHBondContact NE-OG1 2.83Å; R31-T40 PolarHBondContact NH2-OG1 2.97Å; R31-M715 PolarHBondContact NH1-SD 2.81Å; R31-M715 VanDerWaalsContact NH1-SD 3.45Å
32T82.4Confident76.4Confident15 Ų1565.2 Ų65.29%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-83.5133.4173.444.70000111R10 F17 P18 C19 S34R10-T32 HydrophobicContact CB-CG2 4.14Å; F17-T32 HydrophobicContact CB-CG2 3.97Å; P18-T32 CarbonylContact O-C 3.56Å; P18-T32 WeakPolarHBondContact O-CA 3.43Å; C19-T32 HydrophobicContact CB-CG2 4.1Å; T32-S34 VanDerWaalsContact C-N 3.34Å; T32-S34 PolarHBondContact O-N 3.07Å
33L74.3Confident76.4Confident72 Ų7269.5 Ų69.538%0.37736%0.358SS..THydrogen-bonded Turntrans-75.3-17.3-174.4-63-177.7000114.2P18 I20 E35 M715P18-L33 HydrophobicContact CB-CB 4.32Å; P18-L33 HydrophobicContact CB-CD1 3.93Å; P18-L33 HydrophobicContact CB-CG 4.32Å; P18-L33 PolarHBondContact O-N 3.46Å; I20-L33 HydrophobicContact CD1-CD2 3.84Å; I20-L33 HydrophobicContact CG1-CD2 4.14Å; L33-E35 PolarHBondContact O-N 3.45Å; L33-M715 HydrophobicContact CD2-CE 3.49Å; L33-M715 VanDerWaalsContact CD2-CE 3.49Å
34S67.4Low76.4Confident65 Ų6572.6 Ų72.646%0.45537%0.372SS..THydrogen-bonded Turntrans-71-12.5178.554.90000114.3F17 T32 L36F17-S34 WeakPolarHBondContact CD1-OG 2.91Å; T32-S34 VanDerWaalsContact C-N 3.34Å; T32-S34 PolarHBondContact O-N 3.07Å; S34-L36 PolarHBondContact O-N 2.61Å
35E59Low76.7Confident63 Ų6372.4 Ų72.429%0.29437%0.37SS..  trans-92.374.9-178.4-61-176.4175.400110R12 L33 R37 T40R12-E35 IonicContact NH1-OE1 3.95Å; R12-E35 PolarHBondContact NH1-OE1 2.8Å; L33-E35 PolarHBondContact O-N 3.45Å; E35-R37 PolarHBondContact O-N 3.29Å; E35-T40 HydrophobicContact CB-CG2 3.33Å; E35-T40 HydrophobicContact CG-CG2 4.16Å; E35-T40 PolarHBondContact O-OG1 3.5Å; E35-T40 WeakPolarHBondContact OE2-CG2 3.16Å
36L52.8Low77.1Confident173 Ų17365.9 Ų65.991%0.90635%0.345SS*.  trans-60.71.3179.3-87.8155.1000115.6S34S34-L36 PolarHBondContact O-N 2.61Å
37R56.6Low77.3Confident202 Ų20262.6 Ų62.676%0.76233%0.327SS*.SBendtrans-82.6126.6176-67.3-175.6-177.6177.90.9109.7E35 S39 T40E35-R37 PolarHBondContact O-N 3.29Å; R37-S39 PolarHBondContact O-N 3.44Å; R37-T40 PolarHBondContact O-N 3.35Å; R37-T40 VanDerWaalsContact O-N 3.09Å; R37-T40 PolarHBondContact O-OG1 2.83Å
38V54.2Low77.3Confident148 Ų14866.3 Ų66.390%0.89734%0.343SS*.THydrogen-bonded Turntrans-51.3-26.4176.8-179.80000113T40V38-T40 PolarHBondContact O-N 3.25Å; V38-T40 VanDerWaalsContact O-N 3.16Å
39S54.2Low77.4Confident101 Ų10169.1 Ų69.171%0.70636%0.358SS*.THydrogen-bonded Turntrans-82.128.6176.469.70000114.5R37 V41R37-S39 PolarHBondContact O-N 3.44Å; S39-V41 PolarHBondContact O-N 3.29Å
40T57.5Low77.7Confident21 Ų2168.9 Ų68.913%0.12936%0.356CS..  trans-67.3130-174.3-24.50000111.9R31 E35 R37 V38 I42R31-T40 HydrophobicContact CG-CG2 4.3Å; R31-T40 PolarHBondContact NE-OG1 2.83Å; R31-T40 PolarHBondContact NH2-OG1 2.97Å; E35-T40 HydrophobicContact CB-CG2 3.33Å; E35-T40 HydrophobicContact CG-CG2 4.16Å; E35-T40 PolarHBondContact O-OG1 3.5Å; E35-T40 WeakPolarHBondContact OE2-CG2 3.16Å; R37-T40 PolarHBondContact O-N 3.35Å; R37-T40 VanDerWaalsContact O-N 3.09Å; R37-T40 PolarHBondContact O-OG1 2.83Å; V38-T40 PolarHBondContact O-N 3.25Å; V38-T40 VanDerWaalsContact O-N 3.16Å; T40-I42 PolarHBondContact O-N 3.44Å
41V70.8Confident78.1Confident91 Ų9168.1 Ų68.155%0.55235%0.354SS*.  trans-80.4107.5-178.6-178.70000109.9S39 K43S39-V41 PolarHBondContact O-N 3.29Å; V41-K43 HydrophobicContact CG1-CD 4.4Å; V41-K43 PolarHBondContact O-N 3.41Å
42I82.3Confident78.7Confident49 Ų4966 Ų6625%0.25135%0.346SS..  trans-56.5126.4166-65.9174.8000108.7L29 T40 C708L29-I42 HydrophobicContact CB-CG2 4.27Å; L29-I42 HydrophobicContact CD1-CG2 3.58Å; L29-I42 HydrophobicContact CG-CG2 4.49Å; T40-I42 PolarHBondContact O-N 3.44Å; I42-C708 HydrophobicContact CD1-CB 4.11Å; I42-C708 VanDerWaalsContact CD1-SG 3.52Å
43K87.9Confident79.3Confident90 Ų9065.5 Ų65.539%0.39134%0.343SS..EExtended strand (participates in β ladder)trans-91.5142.1172.6-60.2-55.6-179.2-166.70108.8L29 W30 V41L29-K43 CarbonylContact C-O 3.49Å; L29-K43 WeakPolarHBondContact CA-O 3.47Å; L29-K43 WeakPolarHBondContact CB-O 2.99Å; W30-K43 HydrophobicContact CD2-CB 3.87Å; W30-K43 VanDerWaalsContact CE2-CB 3.42Å; W30-K43 HydrophobicContact CE3-CB 4.36Å; W30-K43 HydrophobicContact CG-CB 4.37Å; W30-K43 HydrophobicContact CH2-CB 4.05Å; W30-K43 HydrophobicContact CZ2-CB 3.53Å; W30-K43 HydrophobicContact CZ2-CG 4.18Å; W30-K43 HydrophobicContact CZ3-CB 4.44Å; W30-K43 PolarHBondContact N-O 3.26Å; W30-K43 PolarHBondContact O-N 2.78Å; V41-K43 HydrophobicContact CG1-CD 4.4Å; V41-K43 PolarHBondContact O-N 3.41Å
44Q90.4Very high80.2Confident69 Ų6962.7 Ų62.732%0.32233%0.329SS..EExtended strand (participates in β ladder)trans-141.1151.717864.8-176.679.400110.9E27 I28 L29E27-Q44 PolarHBondContact OE1-NE2 2.82Å; E27-Q44 PolarHBondContact OE2-NE2 3.24Å; I28-Q44 CarbonylContact O-C 3.43Å; I28-Q44 VanDerWaalsContact O-CA 3.31Å; I28-Q44 WeakPolarHBondContact O-CA 3.35Å; L29-Q44 HydrophobicContact CB-CB 3.98Å
45I94Very high81.3Confident17 Ų1760.3 Ų60.39%0.08731%0.313CS..EExtended strand (participates in β ladder)trans-135.8122.7168.8-55.1171.9000107.4E27 I28 W30 N49 I50 I85E27-I45 WeakPolarHBondContact CA-O 3.22Å; I28-I45 HydrophobicContact CG2-CB 4.04Å; I28-I45 PolarHBondContact N-O 2.85Å; I28-I45 PolarHBondContact O-N 3.07Å; W30-I45 HydrophobicContact CH2-CD1 3.57Å; W30-I45 HydrophobicContact CH2-CG1 3.76Å; W30-I45 HydrophobicContact CZ3-CD1 3.76Å; W30-I45 HydrophobicContact CZ3-CG1 3.8Å; I45-N49 HydrophobicContact CG2-CB 4.31Å; I45-I50 HydrophobicContact CB-CG1 4.47Å; I45-I50 HydrophobicContact CG2-CD1 4.15Å; I45-I50 HydrophobicContact CG2-CG1 3.56Å; I45-I85 HydrophobicContact CD1-CG2 4.2Å
46S94.5Very high82.6Confident25 Ų2557.8 Ų57.818%0.17530%0.301CS..EExtended strand (participates in β ladder)trans-64.3138.7168.5178.40000110.3K48 N49 I50S46-K48 PolarHBondContact O-N 2.97Å; S46-K48 VanDerWaalsContact O-N 3.15Å; S46-K48 PolarHBondContact OG-N 2.85Å; S46-N49 WeakPolarHBondContact O-CA 3.29Å; S46-N49 PolarHBondContact O-N 3.13Å; S46-I50 PolarHBondContact O-N 3.35Å
47F95.5Very high84Confident1 Ų152.3 Ų52.30%0.00428%0.277CS..G310 helixtrans-56.3-30.1174.5-73.4-52.7000112.6V23 N26 N49 I50 L118 V122 T125V23-F47 HydrophobicContact CG1-CE2 4.03Å; V23-F47 HydrophobicContact CG1-CZ 3.57Å; N26-F47 VanDerWaalsContact O-CD2 3.31Å; N26-F47 WeakPolarHBondContact O-CD2 3.47Å; N26-F47 PolarHBondContact O-N 2.77Å; F47-N49 PolarHBondContact O-N 3.21Å; F47-I50 HydrophobicContact CD1-CD1 3.87Å; F47-I50 HydrophobicContact CE1-CD1 4.32Å; F47-I50 PolarHBondContact O-N 3.42Å; F47-I50 VanDerWaalsContact O-N 3.17Å; F47-L118 HydrophobicContact CE1-CD2 3.78Å; F47-L118 HydrophobicContact CZ-CD2 4.31Å; F47-V122 HydrophobicContact CB-CG2 4.41Å; F47-V122 HydrophobicContact CD1-CG2 4.14Å; F47-T125 HydrophobicContact CB-CG2 4.32Å; F47-T125 WeakPolarHBondContact CB-OG1 3.36Å; F47-T125 HydrophobicContact CD2-CG2 3.96Å
48K93.1Very high85.1Confident122 Ų12246.6 Ų46.653%0.5326%0.262SS..G310 helixtrans-62.3-28.5173.8-67-171.9175.7-173.50113.1S46S46-K48 PolarHBondContact O-N 2.97Å; S46-K48 VanDerWaalsContact O-N 3.15Å; S46-K48 PolarHBondContact OG-N 2.85Å
49N95.4Very high86.1Confident58 Ų5839.6 Ų39.631%0.3122%0.219SC..G310 helixtrans-93.91.2179.7-63.5-15.3000112.9I45 S46 F47 S87 T88I45-N49 HydrophobicContact CG2-CB 4.31Å; S46-N49 WeakPolarHBondContact O-CA 3.29Å; S46-N49 PolarHBondContact O-N 3.13Å; F47-N49 PolarHBondContact O-N 3.21Å; N49-S87 CarbonylContact O-C 3.59Å; N49-S87 WeakPolarHBondContact O-CA 3.48Å; N49-S87 WeakPolarHBondContact O-CB 3.36Å; N49-T88 PolarHBondContact O-N 3.04Å; N49-T88 PolarHBondContact O-OG1 2.99Å
50I97.4Very high86.6Confident1 Ų139.5 Ų39.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-85.6122.6174.6-68.7177000108.6I28 I45 S46 F47 I85 W86 V122 R129I28-I50 HydrophobicContact CG2-CD1 3.9Å; I45-I50 HydrophobicContact CB-CG1 4.47Å; I45-I50 HydrophobicContact CG2-CD1 4.15Å; I45-I50 HydrophobicContact CG2-CG1 3.56Å; S46-I50 PolarHBondContact O-N 3.35Å; F47-I50 HydrophobicContact CD1-CD1 3.87Å; F47-I50 HydrophobicContact CE1-CD1 4.32Å; F47-I50 PolarHBondContact O-N 3.42Å; F47-I50 VanDerWaalsContact O-N 3.17Å; I50-I85 HydrophobicContact CD1-CG2 3.76Å; I50-I85 HydrophobicContact CG1-CG2 3.83Å; I50-I85 HydrophobicContact CG2-CG2 4.08Å; I50-W86 CarbonylContact C-O 3.55Å; I50-V122 HydrophobicContact CB-CG2 3.72Å; I50-V122 HydrophobicContact CG2-CG2 3.68Å; I50-R129 PolarHBondContact O-NH2 2.94Å
51I96.7Very high86.8Confident1 Ų141.8 Ų41.81%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-68.4-52.5170.5-59.8168.3000107.9W86 T88 V98 R129 L160 A161 L262 I265I51-W86 HydrophobicContact CB-CB 4.09Å; I51-W86 WeakPolarHBondContact CB-O 3.34Å; I51-W86 HydrophobicContact CD1-CB 4.48Å; I51-W86 PolarHBondContact N-O 2.97Å; I51-T88 HydrophobicContact CD1-CG2 3.96Å; I51-T88 HydrophobicContact CG1-CG2 3.58Å; I51-V98 HydrophobicContact CD1-CB 4.34Å; I51-V98 HydrophobicContact CD1-CG1 3.91Å; I51-V98 HydrophobicContact CD1-CG2 3.82Å; I51-R129 PolarHBondContact O-NH1 2.96Å; I51-L160 HydrophobicContact CG2-CB 3.88Å; I51-A161 HydrophobicContact CG2-CB 4.12Å; I51-A161 VanDerWaalsContact O-CA 3.28Å; I51-A161 WeakPolarHBondContact O-CA 3.38Å; I51-L262 HydrophobicContact CD1-CD2 3.5Å; I51-L262 HydrophobicContact CG1-CD2 3.87Å; I51-I265 HydrophobicContact CG2-CD1 4.28Å; I51-I265 HydrophobicContact CG2-CG2 4.33Å
52G95.8Very high86.4Confident2 Ų239.3 Ų39.32%0.02123%0.227CC..EExtended strand (participates in β ladder)trans177.8177.5174.900000111.2W86 L160G52-W86 PolarHBondContact N-O 3.31Å; G52-W86 WeakPolarHBondContact O-CB 3.31Å; G52-W86 PolarHBondContact O-N 2.77Å; G52-L160 WeakPolarHBondContact CA-O 3.17Å
53T95.7Very high85.5Confident4 Ų446.8 Ų46.83%0.02525%0.252CS..EExtended strand (participates in β ladder)trans-125.7133.8180-49.60000109.4F83 T84 I85 V115 L118 N119T53-F83 HydrophobicContact CG2-CB 4.32Å; T53-F83 HydrophobicContact CG2-CD2 3.7Å; T53-F83 HydrophobicContact CG2-CE2 4.47Å; T53-F83 HydrophobicContact CG2-CG 4.38Å; T53-T84 WeakPolarHBondContact CA-O 3.36Å; T53-I85 HydrophobicContact CG2-CG1 4.18Å; T53-V115 HydrophobicContact CG2-CG2 4.11Å; T53-L118 HydrophobicContact CG2-CD1 4.06Å; T53-N119 PolarHBondContact N-OD1 3.25Å; T53-N119 PolarHBondContact O-ND2 2.74Å
54T92.3Very high84.5Confident13 Ų1345.9 Ų45.98%0.0825%0.247CC..EExtended strand (participates in β ladder)trans-130150.8-17962.40000111.1V59 F83 T84 W86 L160T54-V59 WeakPolarHBondContact OG1-CG2 3.16Å; T54-F83 CarbonylContact O-C 3.55Å; T54-F83 WeakPolarHBondContact O-CA 3.49Å; T54-F83 WeakPolarHBondContact O-CB 3.37Å; T54-T84 PolarHBondContact N-O 3.33Å; T54-T84 PolarHBondContact O-N 3.26Å; T54-W86 PolarHBondContact OG1-NE1 2.99Å; T54-L160 HydrophobicContact CG2-CD2 3.55Å
55S91.1Very high83.1Confident16 Ų1642.6 Ų42.611%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-65.9151.7166.8178.30000110.4S57 D58 V59S55-S57 WeakPolarHBondContact CB-OG 3.3Å; S55-S57 PolarHBondContact O-N 2.85Å; S55-S57 PolarHBondContact OG-N 2.87Å; S55-S57 PolarHBondContact OG-OG 3.31Å; S55-D58 WeakPolarHBondContact CB-OD2 3.5Å; S55-D58 PolarHBondContact N-OD2 2.77Å; S55-D58 PolarHBondContact O-N 2.93Å; S55-V59 WeakPolarHBondContact O-CG2 3.23Å; S55-V59 PolarHBondContact O-N 3.02Å
56L85.8Confident81.4Confident9 Ų942.5 Ų42.55%0.04723%0.232CC..Hα-helixtrans-64.6-29.9171.4-77.2177.9000111.9D58 V59 T60 L72 G82 T84 T102 Y104L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.26Å; L56-V59 PolarHBondContact O-N 3.15Å; L56-T60 WeakPolarHBondContact O-CG2 3.4Å; L56-T60 PolarHBondContact O-N 3.13Å; L56-T60 PolarHBondContact O-OG1 3.38Å; L56-L72 HydrophobicContact CD2-CD1 4.48Å; L56-L72 HydrophobicContact CD2-CD2 4.16Å; L56-G82 WeakPolarHBondContact CB-O 3.26Å; L56-G82 WeakPolarHBondContact CG-O 3.39Å; L56-G82 PolarHBondContact N-O 3.46Å; L56-T84 WeakPolarHBondContact CD2-OG1 3.17Å; L56-T102 HydrophobicContact CD1-CG2 3.87Å; L56-T102 HydrophobicContact CD2-CG2 3.78Å; L56-T102 HydrophobicContact CG-CG2 4.19Å; L56-Y104 HydrophobicContact CD1-CD1 4.37Å; L56-Y104 HydrophobicContact CD1-CE1 3.82Å; L56-Y104 HydrophobicContact CD1-CE2 4.08Å
57S82.2Confident80Confident58 Ų5846.8 Ų46.841%0.40625%0.252SS..Hα-helixtrans-55.5-44.217254.90000111.4S55 V59 T60S55-S57 WeakPolarHBondContact CB-OG 3.3Å; S55-S57 PolarHBondContact O-N 2.85Å; S55-S57 PolarHBondContact OG-N 2.87Å; S55-S57 PolarHBondContact OG-OG 3.31Å; S57-V59 PolarHBondContact O-N 3.39Å; S57-T60 PolarHBondContact O-OG1 3.21Å; S57-T60 VanDerWaalsContact O-OG1 3.1Å
58D80.6Confident78.4Confident82 Ų8250 Ų5044%0.43927%0.269SS..Hα-helixtrans-73.2-31.8-174.5-50.4-18.9000111.5S55 L56 V62S55-D58 WeakPolarHBondContact CB-OD2 3.5Å; S55-D58 PolarHBondContact N-OD2 2.77Å; S55-D58 PolarHBondContact O-N 2.93Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.26Å; D58-V62 WeakPolarHBondContact O-CG2 3.1Å
59V74.6Confident76.8Confident1 Ų145.1 Ų45.11%0.00625%0.251CS..Hα-helixtrans-72-43.8179.7173.20000111.7T54 S55 L56 S57 G61 V62 L65 L72 W86T54-V59 WeakPolarHBondContact OG1-CG2 3.16Å; S55-V59 WeakPolarHBondContact O-CG2 3.23Å; S55-V59 PolarHBondContact O-N 3.02Å; L56-V59 PolarHBondContact O-N 3.15Å; S57-V59 PolarHBondContact O-N 3.39Å; V59-G61 PolarHBondContact O-N 2.92Å; V59-V62 PolarHBondContact O-N 3.2Å; V59-V62 VanDerWaalsContact O-N 3.14Å; V59-L65 HydrophobicContact CG1-CB 4.09Å; V59-L65 HydrophobicContact CG2-CD1 4.44Å; V59-L72 HydrophobicContact CG1-CD1 3.95Å; V59-W86 HydrophobicContact CG1-CZ2 4.35Å; V59-W86 HydrophobicContact CG2-CZ2 3.84Å
60T65.9Low75Confident99 Ų9945.7 Ų45.761%0.60727%0.27SS*.Hα-helixtrans-66-23.4-173.255.40000114L56 S57L56-T60 WeakPolarHBondContact O-CG2 3.4Å; L56-T60 PolarHBondContact O-N 3.13Å; L56-T60 PolarHBondContact O-OG1 3.38Å; S57-T60 PolarHBondContact O-OG1 3.21Å; S57-T60 VanDerWaalsContact O-OG1 3.1Å
61G61.2Low72.6Confident70 Ų7049.8 Ų49.872%0.72230%0.299SS*.THydrogen-bonded Turntrans-83.1-7.8176.300000115V59V59-G61 PolarHBondContact O-N 2.92Å
62V61.9Low70.4Confident38 Ų3852 Ų5223%0.2331%0.311CS..  trans-121.8102.8-168.4-178.90000110.4D58 V59 W64 L65 T66D58-V62 WeakPolarHBondContact O-CG2 3.1Å; V59-V62 PolarHBondContact O-N 3.2Å; V59-V62 VanDerWaalsContact O-N 3.14Å; V62-W64 VanDerWaalsContact C-N 3.29Å; V62-W64 VanDerWaalsContact CG1-CD1 3.47Å; V62-W64 HydrophobicContact CG1-CD2 3.88Å; V62-W64 HydrophobicContact CG1-CG 3.95Å; V62-W64 HydrophobicContact CG1-CZ2 3.88Å; V62-W64 PolarHBondContact O-N 3.36Å; V62-W64 VanDerWaalsContact O-N 3.12Å; V62-L65 HydrophobicContact CB-CB 4.11Å; V62-L65 HydrophobicContact CB-CD1 3.84Å; V62-L65 HydrophobicContact CB-CG 4.13Å; V62-L65 HydrophobicContact CG1-CB 4.13Å; V62-L65 HydrophobicContact CG1-CD1 3.91Å; V62-L65 HydrophobicContact CG1-CG 3.85Å; V62-L65 HydrophobicContact CG2-CD1 4.24Å; V62-L65 WeakPolarHBondContact O-CB 3.17Å; V62-L65 PolarHBondContact O-N 2.91Å; V62-T66 PolarHBondContact O-N 3.06Å; V62-T66 VanDerWaalsContact O-N 3.11Å; V62-T66 PolarHBondContact O-OG1 2.81Å
63R62.5Low67.8Low206 Ų20658.9 Ų58.978%0.77734%0.342SS*.Hα-helixtrans-49.9-42.7-173.3-174.3176.4176.21760.5114.1T66 D67R63-T66 VanDerWaalsContact C-OG1 3.23Å; R63-T66 VanDerWaalsContact CA-OG1 3.28Å; R63-T66 WeakPolarHBondContact CA-OG1 3.42Å; R63-T66 PolarHBondContact O-N 3.07Å; R63-T66 PolarHBondContact O-OG1 2.86Å; R63-D67 VanDerWaalsContact O-CG 3.26Å; R63-D67 PolarHBondContact O-N 2.9Å
64W67.8Low65.4Low71 Ų7166.8 Ų66.827%0.26938%0.376SS..Hα-helixtrans-73.8-28.7-178.863.8-100.9000113.2V62 D67 L68 P156 Y159 L160V62-W64 VanDerWaalsContact C-N 3.29Å; V62-W64 VanDerWaalsContact CG1-CD1 3.47Å; V62-W64 HydrophobicContact CG1-CD2 3.88Å; V62-W64 HydrophobicContact CG1-CG 3.95Å; V62-W64 HydrophobicContact CG1-CZ2 3.88Å; V62-W64 PolarHBondContact O-N 3.36Å; V62-W64 VanDerWaalsContact O-N 3.12Å; W64-D67 PolarHBondContact O-N 2.78Å; W64-L68 HydrophobicContact CE3-CD1 3.62Å; W64-L68 HydrophobicContact CZ3-CD1 3.66Å; W64-L68 WeakPolarHBondContact O-CG 3.33Å; W64-L68 PolarHBondContact O-N 2.78Å; W64-P156 HydrophobicContact CD2-CB 3.86Å; W64-P156 HydrophobicContact CD2-CG 3.69Å; W64-P156 HydrophobicContact CE3-CB 3.33Å; W64-P156 HydrophobicContact CE3-CG 3.69Å; W64-P156 HydrophobicContact CG-CG 4.19Å; W64-P156 HydrophobicContact CH2-CB 3.71Å; W64-P156 HydrophobicContact CH2-CG 4.36Å; W64-P156 WeakPolarHBondContact CH2-O 3.42Å; W64-P156 HydrophobicContact CZ2-CB 4.18Å; W64-P156 HydrophobicContact CZ2-CG 4.36Å; W64-P156 HydrophobicContact CZ3-CB 3.23Å; W64-P156 HydrophobicContact CZ3-CG 4.02Å; W64-P156 WeakPolarHBondContact CZ3-O 3.42Å; W64-Y159 AromaticContact CH2-CD1 3.9Å; W64-Y159 HydrophobicContact CH2-CD1 3.9Å; W64-Y159 AromaticContact CZ2-CD1 3.9Å; W64-Y159 HydrophobicContact CZ2-CD1 3.9Å; W64-Y159 HydrophobicContact CZ2-CG 4.36Å; W64-L160 HydrophobicContact CH2-CG 4.2Å; W64-L160 HydrophobicContact CZ3-CD1 4.33Å; W64-L160 HydrophobicContact CZ3-CG 4.32Å
65L60.5Low63.1Low1 Ų175.6 Ų75.61%0.00541%0.413CS..Hα-helixtrans-68.7-39.7172-77.1175.5000110.6V59 V62 D67 L68 S69 W86 L160V59-L65 HydrophobicContact CG1-CB 4.09Å; V59-L65 HydrophobicContact CG2-CD1 4.44Å; V62-L65 HydrophobicContact CB-CB 4.11Å; V62-L65 HydrophobicContact CB-CD1 3.84Å; V62-L65 HydrophobicContact CB-CG 4.13Å; V62-L65 HydrophobicContact CG1-CB 4.13Å; V62-L65 HydrophobicContact CG1-CD1 3.91Å; V62-L65 HydrophobicContact CG1-CG 3.85Å; V62-L65 HydrophobicContact CG2-CD1 4.24Å; V62-L65 WeakPolarHBondContact O-CB 3.17Å; V62-L65 PolarHBondContact O-N 2.91Å; L65-D67 VanDerWaalsContact C-N 3.32Å; L65-D67 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.13Å; L65-S69 PolarHBondContact O-N 2.85Å; L65-S69 VanDerWaalsContact O-N 3.17Å; L65-W86 HydrophobicContact CD2-CH2 3.96Å; L65-W86 HydrophobicContact CD2-CZ2 3.85Å; L65-L160 HydrophobicContact CD1-CD2 4.48Å; L65-L160 HydrophobicContact CD2-CD1 3.74Å; L65-L160 HydrophobicContact CD2-CD2 3.45Å; L65-L160 VanDerWaalsContact CD2-CD2 3.45Å; L65-L160 HydrophobicContact CD2-CG 3.71Å
66T57.9Low60.8Low15 Ų1582.6 Ų82.69%0.09244%0.442CS..Hα-helixtrans-62.3-39.117239.10000112.1V62 R63 S69 Q73V62-T66 PolarHBondContact O-N 3.06Å; V62-T66 VanDerWaalsContact O-N 3.11Å; V62-T66 PolarHBondContact O-OG1 2.81Å; R63-T66 VanDerWaalsContact C-OG1 3.23Å; R63-T66 VanDerWaalsContact CA-OG1 3.28Å; R63-T66 WeakPolarHBondContact CA-OG1 3.42Å; R63-T66 PolarHBondContact O-N 3.07Å; R63-T66 PolarHBondContact O-OG1 2.86Å; T66-S69 PolarHBondContact O-N 3.3Å; T66-S69 PolarHBondContact O-OG 3.04Å; T66-Q73 HydrophobicContact CG2-CG 4.5Å
67D66.8Low59.1Low114 Ų11486.7 Ų86.761%0.6148%0.477SS*.Hα-helixtrans-65.6-45.2177-66.4-24.4000112R63 W64 L65 S69 G70R63-D67 VanDerWaalsContact O-CG 3.26Å; R63-D67 PolarHBondContact O-N 2.9Å; W64-D67 PolarHBondContact O-N 2.78Å; L65-D67 VanDerWaalsContact C-N 3.32Å; L65-D67 PolarHBondContact O-N 2.89Å; D67-S69 PolarHBondContact O-N 3Å; D67-G70 PolarHBondContact O-N 2.82Å; D67-G70 VanDerWaalsContact O-N 3.12Å
68L60.2Low57.6Low69 Ų6989.9 Ų89.936%0.36150%0.498SS..Hα-helixtrans-59.1-31.9176-80.8170.1000113W64 L65 G70 W86 L157 L160W64-L68 HydrophobicContact CE3-CD1 3.62Å; W64-L68 HydrophobicContact CZ3-CD1 3.66Å; W64-L68 WeakPolarHBondContact O-CG 3.33Å; W64-L68 PolarHBondContact O-N 2.78Å; L65-L68 PolarHBondContact O-N 3.13Å; L68-G70 VanDerWaalsContact C-N 3.25Å; L68-G70 PolarHBondContact O-N 3.28Å; L68-W86 HydrophobicContact CB-CH2 4.45Å; L68-W86 HydrophobicContact CB-CZ3 3.92Å; L68-L157 HydrophobicContact CD1-CD2 4.38Å; L68-L160 HydrophobicContact CD1-CD1 4.42Å
69S61.3Low56.7Low20 Ų2089.4 Ų89.414%0.1450%0.495CS..THydrogen-bonded Turntrans-74.8-12.9-179.378.80000114.1L65 T66 D67 S71 L72L65-S69 PolarHBondContact O-N 2.85Å; L65-S69 VanDerWaalsContact O-N 3.17Å; T66-S69 PolarHBondContact O-N 3.3Å; T66-S69 PolarHBondContact O-OG 3.04Å; D67-S69 PolarHBondContact O-N 3Å; S69-S71 PolarHBondContact O-N 3.17Å; S69-L72 VanDerWaalsContact CB-CD1 3.48Å; S69-L72 WeakPolarHBondContact OG-CB 3.41Å
70G57.6Low56.6Low69 Ų6992.5 Ų92.571%0.71152%0.517SS*.SBendtrans57.3-10.2175.600000117.4D67 L68D67-G70 PolarHBondContact O-N 2.82Å; D67-G70 VanDerWaalsContact O-N 3.12Å; L68-G70 VanDerWaalsContact C-N 3.25Å; L68-G70 PolarHBondContact O-N 3.28Å
71S46.7Very low57.6Low88 Ų8892.8 Ų92.862%0.61551%0.507SS*.SBendtrans-163.2-2.9-167.8-139.70000116.3S69 Q73S69-S71 PolarHBondContact O-N 3.17Å; S71-Q73 PolarHBondContact O-N 3.14Å; S71-Q73 VanDerWaalsContact O-N 3.07Å
72L49.2Very low58.9Low47 Ų4789.4 Ų89.425%0.24647%0.473CS..THydrogen-bonded Turntrans-61.7-18.8174.1-81.7163.2000112.4L11 L56 V59 S69 K74 T102L11-L72 HydrophobicContact CD2-CD2 4.1Å; L56-L72 HydrophobicContact CD2-CD1 4.48Å; L56-L72 HydrophobicContact CD2-CD2 4.16Å; V59-L72 HydrophobicContact CG1-CD1 3.95Å; S69-L72 VanDerWaalsContact CB-CD1 3.48Å; S69-L72 WeakPolarHBondContact OG-CB 3.41Å; L72-K74 PolarHBondContact O-N 2.74Å; L72-T102 HydrophobicContact CD2-CG2 4.5Å
73Q42.8Very low60.4Low147 Ų14787.7 Ų87.769%0.68746%0.462SS*.THydrogen-bonded Turntrans-81.41.7-172-79.2-105.1-23.900116.6T66 S71T66-Q73 HydrophobicContact CG2-CG 4.5Å; S71-Q73 PolarHBondContact O-N 3.14Å; S71-Q73 VanDerWaalsContact O-N 3.07Å
74K45Very low61.7Low169 Ų16977.9 Ų77.974%0.73543%0.425SS*.SBendtrans-123.395.8177.9-71.3-177-179.6176.10112.4L72L72-K74 PolarHBondContact O-N 2.74Å
75K44.2Very low63Low199 Ų19974.5 Ų74.587%0.86541%0.412SS*.SBendtrans100.212.6147.1-76.8-171.5171.8-177.50122.9
76K43.1Very low64.6Low162 Ų16274.4 Ų74.470%0.70441%0.412SS*.  trans-157.356.1163.7-115.5168.2-168.2-175.70114.9C78K76-C78 PolarHBondContact O-N 2.8Å; K76-C78 VanDerWaalsContact O-N 3.1Å
77A49.1Very low66.4Low96 Ų9673.9 Ų73.979%0.79341%0.408SS*.THydrogen-bonded Turntrans-76.726173.300000114.3
78C49.8Very low67.7Low124 Ų12468.9 Ų68.984%0.83838%0.382SS*.THydrogen-bonded Turntrans-90.5-13.8-175.6-161.50000113.6K76K76-C78 PolarHBondContact O-N 2.8Å; K76-C78 VanDerWaalsContact O-N 3.1Å
79N62.8Low69.2Low73 Ų7367.7 Ų67.739%0.3938%0.378SS..  trans-118.5105.3176.8-131.5-7.1000109.6R81 Y104N79-R81 PolarHBondContact O-N 2.75Å; N79-Y104 HydrophobicContact CB-CD1 4.2Å; N79-Y104 HydrophobicContact CB-CE1 4.1Å; N79-Y104 VanDerWaalsContact O-CE1 3.29Å; N79-Y104 WeakPolarHBondContact O-CE1 3.28Å
80S71.3Confident70.4Confident66 Ų6669.2 Ų69.246%0.46238%0.383SS..  trans-73.8-10.3174.552.70000113G82S80-G82 PolarHBondContact O-N 3.1Å
81R87.7Confident71.7Confident104 Ų10467.2 Ų67.239%0.39236%0.359SS..  trans-75.765.9-176.6-62.3-179.8-172133.26.7112.2N79 Y104 C105 D108N79-R81 PolarHBondContact O-N 2.75Å; R81-Y104 WeakPolarHBondContact O-CA 3.37Å; R81-C105 PolarHBondContact O-N 2.93Å; R81-D108 WeakPolarHBondContact CG-OD1 3.46Å; R81-D108 IonicContact NE-OD2 3.6Å
82G89.4Confident73.2Confident0 Ų072.3 Ų72.30%037%0.37CS..EExtended strand (participates in β ladder)trans-159.5170.7175.600000112L56 S80 F103 V111L56-G82 WeakPolarHBondContact CB-O 3.26Å; L56-G82 WeakPolarHBondContact CG-O 3.39Å; L56-G82 PolarHBondContact N-O 3.46Å; S80-G82 PolarHBondContact O-N 3.1Å; G82-F103 CarbonylContact C-O 3.55Å; G82-F103 WeakPolarHBondContact CA-O 3.39Å; G82-V111 WeakPolarHBondContact O-CG1 3.29Å
83F91.7Very high74.6Confident1 Ų176.7 Ų76.70%0.00439%0.387CS..EExtended strand (participates in β ladder)trans-132.7160.6177.762.3-89.2000110.7L8 T53 T54 I85 T102 F103 C105 V111 W114 V115 L118L8-F83 HydrophobicContact CD1-CE1 3.8Å; L8-F83 HydrophobicContact CD1-CZ 3.66Å; T53-F83 HydrophobicContact CG2-CB 4.32Å; T53-F83 HydrophobicContact CG2-CD2 3.7Å; T53-F83 HydrophobicContact CG2-CE2 4.47Å; T53-F83 HydrophobicContact CG2-CG 4.38Å; T54-F83 CarbonylContact O-C 3.55Å; T54-F83 WeakPolarHBondContact O-CA 3.49Å; T54-F83 WeakPolarHBondContact O-CB 3.37Å; F83-I85 HydrophobicContact CD2-CG1 4.15Å; F83-I85 HydrophobicContact CE2-CD1 4.17Å; F83-I85 HydrophobicContact CE2-CG1 3.95Å; F83-T102 CarbonylContact O-C 3.51Å; F83-T102 WeakPolarHBondContact O-CA 3.43Å; F83-F103 HydrophobicContact CD1-CB 4.26Å; F83-F103 HydrophobicContact CD2-CB 4.4Å; F83-F103 HydrophobicContact CD2-CD2 4.22Å; F83-F103 HydrophobicContact CE1-CB 3.76Å; F83-F103 HydrophobicContact CE2-CB 3.92Å; F83-F103 AromaticContact CE2-CD2 3.59Å; F83-F103 HydrophobicContact CE2-CD2 3.59Å; F83-F103 HydrophobicContact CE2-CE2 4.41Å; F83-F103 AromaticContact CE2-CG 3.99Å; F83-F103 HydrophobicContact CE2-CG 3.99Å; F83-F103 HydrophobicContact CZ-CB 3.58Å; F83-F103 AromaticContact CZ-CD2 4Å; F83-F103 HydrophobicContact CZ-CD2 4Å; F83-F103 AromaticContact CZ-CG 3.89Å; F83-F103 HydrophobicContact CZ-CG 3.89Å; F83-F103 PolarHBondContact N-O 2.84Å; F83-F103 PolarHBondContact O-N 2.84Å; F83-C105 VanDerWaalsContact CE1-SG 3.6Å; F83-V111 HydrophobicContact CB-CG1 4.18Å; F83-W114 HydrophobicContact CD1-CB 3.92Å; F83-W114 HydrophobicContact CD1-CG 4.4Å; F83-W114 HydrophobicContact CE1-CB 3.56Å; F83-W114 AromaticContact CE1-CD1 3.72Å; F83-W114 HydrophobicContact CE1-CD2 4.33Å; F83-W114 AromaticContact CE1-CG 3.59Å; F83-W114 HydrophobicContact CE1-CG 3.59Å; F83-W114 HydrophobicContact CE2-CB 4.42Å; F83-W114 HydrophobicContact CG-CB 4.48Å; F83-W114 HydrophobicContact CZ-CB 3.83Å; F83-W114 HydrophobicContact CZ-CD2 4.1Å; F83-W114 HydrophobicContact CZ-CE3 4.46Å; F83-W114 AromaticContact CZ-CG 3.8Å; F83-W114 HydrophobicContact CZ-CG 3.8Å; F83-V115 HydrophobicContact CB-CG2 3.76Å; F83-V115 HydrophobicContact CG-CG2 4.5Å; F83-L118 HydrophobicContact CD2-CD1 4.49Å; F83-L118 HydrophobicContact CE2-CD1 3.91Å
84T91.1Very high76.4Confident0 Ų071.8 Ų71.80%036%0.363CS..EExtended strand (participates in β ladder)trans-123.2126.6175.5-64.20000110.1T53 T54 L56 W86 C100 S101 T102T53-T84 WeakPolarHBondContact CA-O 3.36Å; T54-T84 PolarHBondContact N-O 3.33Å; T54-T84 PolarHBondContact O-N 3.26Å; L56-T84 WeakPolarHBondContact CD2-OG1 3.17Å; T84-W86 HydrophobicContact CG2-CD2 4.18Å; T84-W86 HydrophobicContact CG2-CG 4.48Å; T84-W86 HydrophobicContact CG2-CZ2 4.05Å; T84-C100 HydrophobicContact CG2-CB 3.94Å; T84-S101 WeakPolarHBondContact CA-O 3.31Å; T84-T102 PolarHBondContact OG1-OG1 3.06Å
85I94.2Very high78.4Confident0 Ų064.1 Ų64.10%033%0.332CS..EExtended strand (participates in β ladder)trans-87.2117.7168.2-55.2-179.7000107.9I28 I45 I50 T53 F83 C100 S101 F103 L118I28-I85 HydrophobicContact CD1-CD1 3.72Å; I28-I85 HydrophobicContact CG2-CD1 4.27Å; I45-I85 HydrophobicContact CD1-CG2 4.2Å; I50-I85 HydrophobicContact CD1-CG2 3.76Å; I50-I85 HydrophobicContact CG1-CG2 3.83Å; I50-I85 HydrophobicContact CG2-CG2 4.08Å; T53-I85 HydrophobicContact CG2-CG1 4.18Å; F83-I85 HydrophobicContact CD2-CG1 4.15Å; F83-I85 HydrophobicContact CE2-CD1 4.17Å; F83-I85 HydrophobicContact CE2-CG1 3.95Å; I85-C100 CarbonylContact O-C 3.44Å; I85-C100 WeakPolarHBondContact O-CA 3.29Å; I85-S101 PolarHBondContact N-O 2.82Å; I85-S101 PolarHBondContact O-N 3.46Å; I85-F103 HydrophobicContact CD1-CD2 4.29Å; I85-F103 HydrophobicContact CD1-CE2 3.69Å; I85-F103 HydrophobicContact CD1-CZ 4.46Å; I85-F103 HydrophobicContact CG1-CD2 4.37Å; I85-F103 HydrophobicContact CG1-CE2 4.09Å; I85-L118 HydrophobicContact CD1-CD1 3.81Å; I85-L118 HydrophobicContact CG1-CD1 4.07Å
86W94.7Very high80.7Confident0 Ų055.8 Ų55.80%030%0.295CS..EExtended strand (participates in β ladder)trans-93.6122.4172.8-54.786.5000107.9I50 I51 G52 T54 V59 L65 L68 T84 V98 C100 L160I50-W86 CarbonylContact C-O 3.55Å; I51-W86 HydrophobicContact CB-CB 4.09Å; I51-W86 WeakPolarHBondContact CB-O 3.34Å; I51-W86 HydrophobicContact CD1-CB 4.48Å; I51-W86 PolarHBondContact N-O 2.97Å; G52-W86 PolarHBondContact N-O 3.31Å; G52-W86 WeakPolarHBondContact O-CB 3.31Å; G52-W86 PolarHBondContact O-N 2.77Å; T54-W86 PolarHBondContact OG1-NE1 2.99Å; V59-W86 HydrophobicContact CG1-CZ2 4.35Å; V59-W86 HydrophobicContact CG2-CZ2 3.84Å; L65-W86 HydrophobicContact CD2-CH2 3.96Å; L65-W86 HydrophobicContact CD2-CZ2 3.85Å; L68-W86 HydrophobicContact CB-CH2 4.45Å; L68-W86 HydrophobicContact CB-CZ3 3.92Å; T84-W86 HydrophobicContact CG2-CD2 4.18Å; T84-W86 HydrophobicContact CG2-CG 4.48Å; T84-W86 HydrophobicContact CG2-CZ2 4.05Å; W86-V98 HydrophobicContact CE3-CG1 3.94Å; W86-C100 WeakPolarHBondContact CZ3-SG 3.36Å; W86-L160 HydrophobicContact CB-CD1 4.32Å; W86-L160 HydrophobicContact CD2-CD1 3.69Å; W86-L160 HydrophobicContact CD2-CD2 4.04Å; W86-L160 HydrophobicContact CE3-CD1 3.82Å; W86-L160 HydrophobicContact CG-CD1 3.91Å; W86-L160 HydrophobicContact CG-CD2 3.99Å; W86-L160 HydrophobicContact CG-CG 4.49Å; W86-L160 HydrophobicContact CZ2-CD2 4.45Å; W86-L160 HydrophobicContact CZ3-CD1 4.4Å
87S95.4Very high83Confident3 Ų353.7 Ų53.72%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-133.8158.1-173.755.70000111.3N49 V98 R99N49-S87 CarbonylContact O-C 3.59Å; N49-S87 WeakPolarHBondContact O-CA 3.48Å; N49-S87 WeakPolarHBondContact O-CB 3.36Å; S87-V98 CarbonylContact O-C 3.59Å; S87-V98 WeakPolarHBondContact O-CA 3.43Å; S87-R99 PolarHBondContact N-O 3.32Å; S87-R99 PolarHBondContact O-N 2.86Å; S87-R99 PolarHBondContact OG-O 2.99Å
88T94.4Very high85Confident9 Ų950.6 Ų50.66%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-92.9146173.168.80000109.7N49 I51 K97 L262N49-T88 PolarHBondContact O-N 3.04Å; N49-T88 PolarHBondContact O-OG1 2.99Å; I51-T88 HydrophobicContact CD1-CG2 3.96Å; I51-T88 HydrophobicContact CG1-CG2 3.58Å; T88-K97 WeakPolarHBondContact CA-O 3.11Å; T88-L262 HydrophobicContact CG2-CB 4.18Å; T88-L262 HydrophobicContact CG2-CD1 3.83Å; T88-L262 HydrophobicContact CG2-CD2 3.65Å; T88-L262 HydrophobicContact CG2-CG 4.07Å
89T90.8Very high86.9Confident45 Ų4551 Ų5128%0.27624%0.241SC..EExtended strand (participates in β ladder)trans-142.4146.5168.6-1760000108.5A91 K97 R99T89-A91 PolarHBondContact O-N 3.11Å; T89-K97 HydrophobicContact CG2-CD 4.14Å; T89-K97 HydrophobicContact CG2-CG 3.48Å; T89-K97 VanDerWaalsContact CG2-CG 3.48Å; T89-K97 PolarHBondContact N-O 3.34Å; T89-K97 PolarHBondContact O-N 3.3Å; T89-R99 HydrophobicContact CG2-CB 4.16Å
90Q87.6Confident88.1Confident52 Ų5249 Ų4924%0.24323%0.233CC..EExtended strand (participates in β ladder)trans-60.1136.4173.8-153.5175.723.700109.6
91A84.6Confident89Confident26 Ų2646 Ų4622%0.21521%0.211CC..  trans-103.3-168.9170.500000109.2T89 K93 G95 K97T89-A91 PolarHBondContact O-N 3.11Å; A91-K93 PolarHBondContact O-N 3.27Å; A91-G95 WeakPolarHBondContact CA-O 3.26Å; A91-G95 WeakPolarHBondContact CB-O 3.48Å; A91-G95 PolarHBondContact N-O 3.14Å; A91-K97 HydrophobicContact CB-CB 4.31Å; A91-K97 HydrophobicContact CB-CD 4.21Å; A91-K97 HydrophobicContact CB-CG 4.17Å
92K79.3Confident89Confident195 Ų19541.4 Ų41.485%0.84820%0.195SC*.SBendtrans-65.3137.4177-65.8-175.6178.5-176.70110.1G95K92-G95 PolarHBondContact O-N 3.43Å
93K77.4Confident89Confident139 Ų13941.4 Ų41.460%0.60420%0.195SC*.THydrogen-bonded Turntrans35.196.7168.3-169.7175.9-179.1177.30114.8A91 G95A91-K93 PolarHBondContact O-N 3.27Å; K93-G95 PolarHBondContact O-N 3.43Å
94Y81Confident88.9Confident45 Ų4542.3 Ų42.318%0.17620%0.198CC..THydrogen-bonded Turntrans66.1-18.4-178.7-46.6-53.8000116.3G253 P688 E689Y94-G253 WeakPolarHBondContact CD2-O 3.37Å; Y94-P688 HydrophobicContact CD1-CB 3.78Å; Y94-P688 HydrophobicContact CE1-CB 3.53Å; Y94-E689 VanDerWaalsContact CD1-C 3.48Å; Y94-E689 VanDerWaalsContact CD1-N 3.33Å; Y94-E689 WeakPolarHBondContact CD1-O 3.39Å; Y94-E689 VanDerWaalsContact CE1-O 3.27Å; Y94-E689 WeakPolarHBondContact CE1-O 3.21Å
95G87.5Confident88.8Confident8 Ų842.9 Ų42.98%0.08220%0.202CC..  trans-77.7153.6-178.200000113.9A91 K92 K93 T259A91-G95 WeakPolarHBondContact CA-O 3.26Å; A91-G95 WeakPolarHBondContact CB-O 3.48Å; A91-G95 PolarHBondContact N-O 3.14Å; K92-G95 PolarHBondContact O-N 3.43Å; K93-G95 PolarHBondContact O-N 3.43Å; G95-T259 WeakPolarHBondContact CA-OG1 3.35Å
96W91.9Very high88.5Confident24 Ų2448.4 Ų48.49%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-126149.4170.9-72.277.9000109.7T259 L262 H263 E689W96-T259 HydrophobicContact CB-CG2 4.19Å; W96-T259 HydrophobicContact CG-CG2 4.35Å; W96-T259 PolarHBondContact N-OG1 2.85Å; W96-T259 PolarHBondContact O-OG1 3.28Å; W96-L262 HydrophobicContact CB-CD1 3.84Å; W96-H263 AromaticContact CD1-NE2 3.85Å; W96-H263 AromaticContact NE1-CE1 3.88Å; W96-H263 AromaticContact NE1-NE2 3.92Å; W96-E689 WeakPolarHBondContact CZ2-OE2 3.35Å; W96-E689 PolarHBondContact NE1-OE2 2.83Å; W96-E689 VanDerWaalsContact NE1-OE2 3.1Å
97K90.9Very high88.2Confident117 Ų11751.1 Ų51.151%0.50925%0.254SS..EExtended strand (participates in β ladder)trans-136.3158.9178.366.6-178.8178.11800111.8T88 T89 A91T88-K97 WeakPolarHBondContact CA-O 3.11Å; T89-K97 HydrophobicContact CG2-CD 4.14Å; T89-K97 HydrophobicContact CG2-CG 3.48Å; T89-K97 VanDerWaalsContact CG2-CG 3.48Å; T89-K97 PolarHBondContact N-O 3.34Å; T89-K97 PolarHBondContact O-N 3.3Å; A91-K97 HydrophobicContact CB-CB 4.31Å; A91-K97 HydrophobicContact CB-CD 4.21Å; A91-K97 HydrophobicContact CB-CG 4.17Å
98V91.6Very high88Confident31 Ų3155 Ų5519%0.18828%0.275CS..EExtended strand (participates in β ladder)trans-80137.8174.4-176.50000110.1I51 W86 S87 L157 V258 L262I51-V98 HydrophobicContact CD1-CB 4.34Å; I51-V98 HydrophobicContact CD1-CG1 3.91Å; I51-V98 HydrophobicContact CD1-CG2 3.82Å; W86-V98 HydrophobicContact CE3-CG1 3.94Å; S87-V98 CarbonylContact O-C 3.59Å; S87-V98 WeakPolarHBondContact O-CA 3.43Å; V98-L157 HydrophobicContact CG2-CD2 3.73Å; V98-V258 HydrophobicContact CG2-CG1 4.22Å; V98-L262 HydrophobicContact CG2-CD1 4.47Å; V98-L262 HydrophobicContact CG2-CD2 4.36Å
99R90.1Very high87.9Confident133 Ų13360.4 Ų60.450%0.50230%0.299SS..EExtended strand (participates in β ladder)trans-127.6135173-178.1-179.3-175.3159.64.5109.6S87 T89S87-R99 PolarHBondContact N-O 3.32Å; S87-R99 PolarHBondContact O-N 2.86Å; S87-R99 PolarHBondContact OG-O 2.99Å; T89-R99 HydrophobicContact CG2-CB 4.16Å
100C87.5Confident87.9Confident32 Ų3260.2 Ų60.222%0.21630%0.295CS..EExtended strand (participates in β ladder)trans-104.8135179.8-49.90000110.9T84 I85 W86T84-C100 HydrophobicContact CG2-CB 3.94Å; I85-C100 CarbonylContact O-C 3.44Å; I85-C100 WeakPolarHBondContact O-CA 3.29Å; W86-C100 WeakPolarHBondContact CZ3-SG 3.36Å
101S89.4Confident88.1Confident1 Ų158 Ų581%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-126.1109.6167.8-65.30000111.4R10 T84 I85 F103R10-S101 VanDerWaalsContact NH2-CA 3.32Å; R10-S101 PolarHBondContact NH2-OG 2.84Å; T84-S101 WeakPolarHBondContact CA-O 3.31Å; I85-S101 PolarHBondContact N-O 2.82Å; I85-S101 PolarHBondContact O-N 3.46Å; S101-F103 WeakPolarHBondContact O-CD2 3.43Å; S101-F103 WeakPolarHBondContact O-CE2 3.4Å
102T88.4Confident88.6Confident8 Ų859.8 Ų59.85%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-99.4130.3-175.6-55.10000112.4R10 L11 L56 L72 F83 T84 Y104R10-T102 WeakPolarHBondContact CD-O 3.43Å; R10-T102 PolarHBondContact NH1-O 3.49Å; L11-T102 HydrophobicContact CB-CG2 4.37Å; L11-T102 HydrophobicContact CD2-CG2 4.3Å; L11-T102 PolarHBondContact N-O 2.92Å; L11-T102 VanDerWaalsContact N-O 3.14Å; L56-T102 HydrophobicContact CD1-CG2 3.87Å; L56-T102 HydrophobicContact CD2-CG2 3.78Å; L56-T102 HydrophobicContact CG-CG2 4.19Å; L72-T102 HydrophobicContact CD2-CG2 4.5Å; F83-T102 CarbonylContact O-C 3.51Å; F83-T102 WeakPolarHBondContact O-CA 3.43Å; T84-T102 PolarHBondContact OG1-OG1 3.06Å; T102-Y104 HydrophobicContact CG2-CD2 4.33Å; T102-Y104 HydrophobicContact CG2-CE2 3.77Å
103F90.1Very high89.3Confident0 Ų054.2 Ų54.20%028%0.275CS..EExtended strand (participates in β ladder)trans-124.1147.2179.9-59.8-96000109.9L8 H9 V21 W30 G82 F83 I85 S101L8-F103 HydrophobicContact CB-CD1 4.38Å; L8-F103 HydrophobicContact CD1-CB 4.09Å; L8-F103 HydrophobicContact CD1-CD1 4.16Å; L8-F103 HydrophobicContact CD1-CG 4.35Å; H9-F103 CarbonylContact O-C 3.6Å; H9-F103 WeakPolarHBondContact O-CA 3.35Å; V21-F103 HydrophobicContact CG2-CD1 4.19Å; V21-F103 HydrophobicContact CG2-CE1 3.97Å; W30-F103 HydrophobicContact CB-CE1 4.42Å; W30-F103 HydrophobicContact CD2-CE1 4.09Å; W30-F103 AromaticContact CD2-CZ 3.77Å; W30-F103 HydrophobicContact CD2-CZ 3.77Å; W30-F103 AromaticContact CE3-CZ 3.88Å; W30-F103 HydrophobicContact CE3-CZ 3.88Å; W30-F103 HydrophobicContact CG-CE1 4.03Å; W30-F103 HydrophobicContact CG-CZ 4.2Å; W30-F103 HydrophobicContact CZ2-CZ 4.4Å; W30-F103 HydrophobicContact CZ3-CZ 4.26Å; G82-F103 CarbonylContact C-O 3.55Å; G82-F103 WeakPolarHBondContact CA-O 3.39Å; F83-F103 HydrophobicContact CD1-CB 4.26Å; F83-F103 HydrophobicContact CD2-CB 4.4Å; F83-F103 HydrophobicContact CD2-CD2 4.22Å; F83-F103 HydrophobicContact CE1-CB 3.76Å; F83-F103 HydrophobicContact CE2-CB 3.92Å; F83-F103 AromaticContact CE2-CD2 3.59Å; F83-F103 HydrophobicContact CE2-CD2 3.59Å; F83-F103 HydrophobicContact CE2-CE2 4.41Å; F83-F103 AromaticContact CE2-CG 3.99Å; F83-F103 HydrophobicContact CE2-CG 3.99Å; F83-F103 HydrophobicContact CZ-CB 3.58Å; F83-F103 AromaticContact CZ-CD2 4Å; F83-F103 HydrophobicContact CZ-CD2 4Å; F83-F103 AromaticContact CZ-CG 3.89Å; F83-F103 HydrophobicContact CZ-CG 3.89Å; F83-F103 PolarHBondContact N-O 2.84Å; F83-F103 PolarHBondContact O-N 2.84Å; I85-F103 HydrophobicContact CD1-CD2 4.29Å; I85-F103 HydrophobicContact CD1-CE2 3.69Å; I85-F103 HydrophobicContact CD1-CZ 4.46Å; I85-F103 HydrophobicContact CG1-CD2 4.37Å; I85-F103 HydrophobicContact CG1-CE2 4.09Å; S101-F103 WeakPolarHBondContact O-CD2 3.43Å; S101-F103 WeakPolarHBondContact O-CE2 3.4Å
104Y89.6Confident90Very high20 Ų2048.7 Ų48.78%0.07825%0.251CS..EExtended strand (participates in β ladder)trans-115.4137.9177.3-73-105.4000109.8H9 L11 L16 L56 N79 R81 T102H9-Y104 PolarHBondContact N-O 3.43Å; H9-Y104 PolarHBondContact O-N 2.86Å; L11-Y104 HydrophobicContact CB-CD2 4.39Å; L11-Y104 HydrophobicContact CB-CE2 3.85Å; L11-Y104 HydrophobicContact CD2-CE2 4.19Å; L11-Y104 HydrophobicContact CG-CE2 4.42Å; L16-Y104 HydrophobicContact CD2-CD2 3.3Å; L16-Y104 HydrophobicContact CD2-CE2 3.55Å; L16-Y104 HydrophobicContact CD2-CG 3.87Å; L56-Y104 HydrophobicContact CD1-CD1 4.37Å; L56-Y104 HydrophobicContact CD1-CE1 3.82Å; L56-Y104 HydrophobicContact CD1-CE2 4.08Å; N79-Y104 HydrophobicContact CB-CD1 4.2Å; N79-Y104 HydrophobicContact CB-CE1 4.1Å; N79-Y104 VanDerWaalsContact O-CE1 3.29Å; N79-Y104 WeakPolarHBondContact O-CE1 3.28Å; R81-Y104 WeakPolarHBondContact O-CA 3.37Å; T102-Y104 HydrophobicContact CG2-CD2 4.33Å; T102-Y104 HydrophobicContact CG2-CE2 3.77Å
105C89.1Confident90.7Very high12 Ų1247.8 Ų47.88%0.08125%0.25CC..  trans-108.8167.6-175.2-63.40000111.2L8 R81 F83 Q110 V111L8-C105 HydrophobicContact CD2-CB 4.39Å; R81-C105 PolarHBondContact O-N 2.93Å; F83-C105 VanDerWaalsContact CE1-SG 3.6Å; C105-Q110 HydrophobicContact CB-CB 4.09Å; C105-Q110 HydrophobicContact CB-CG 4.13Å; C105-Q110 VanDerWaalsContact CB-OE1 3.3Å; C105-V111 HydrophobicContact CB-CG2 3.61Å
106V87.2Confident91.1Very high116 Ų11653.7 Ų53.770%0.70328%0.276SS*.SBendtrans-76.9-39.3177.7-176.10000111.4
107C88.8Confident91.2Very high58 Ų5855.9 Ų55.939%0.39229%0.286SS..SBendtrans-140.4163.2-179.365.60000111.7Q109 Q110 V111C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 PolarHBondContact O-N 3.11Å; C107-Q110 PolarHBondContact O-N 3.4Å; C107-V111 PolarHBondContact O-N 2.94Å
108D90.3Very high91.5Very high84 Ų8450.3 Ų50.345%0.44926%0.261SS..Hα-helixtrans-64.6-32.3179.2-62.7-66.9000112.6R81 Q110 V111 S112R81-D108 WeakPolarHBondContact CG-OD1 3.46Å; R81-D108 IonicContact NE-OD2 3.6Å; D108-Q110 VanDerWaalsContact C-N 3.33Å; D108-Q110 PolarHBondContact O-N 3.07Å; D108-V111 WeakPolarHBondContact O-CB 3.35Å; D108-V111 PolarHBondContact O-N 2.94Å; D108-V111 VanDerWaalsContact O-N 3.11Å; D108-S112 PolarHBondContact O-N 2.84Å; D108-S112 PolarHBondContact O-OG 2.96Å
109Q92.3Very high91.7Very high122 Ų12251 Ų5157%0.5726%0.264SS*.Hα-helixtrans-59-45.9174.4-175.161.150.100111.3C107 V111 S112 D113C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 PolarHBondContact O-N 3.11Å; Q109-V111 PolarHBondContact O-N 2.79Å; Q109-S112 WeakPolarHBondContact O-CB 3.19Å; Q109-S112 PolarHBondContact O-N 3.47Å; Q109-S112 VanDerWaalsContact O-N 3.12Å; Q109-D113 PolarHBondContact NE2-OD1 3.26Å; Q109-D113 PolarHBondContact O-N 2.91Å
110Q91.4Very high91.9Very high42 Ų4247.7 Ų47.720%0.19626%0.261CS..Hα-helixtrans-62.8-32.6177.6-172.6-175.939.700111.7C105 C107 D108 W114C105-Q110 HydrophobicContact CB-CB 4.09Å; C105-Q110 HydrophobicContact CB-CG 4.13Å; C105-Q110 VanDerWaalsContact CB-OE1 3.3Å; C107-Q110 PolarHBondContact O-N 3.4Å; D108-Q110 VanDerWaalsContact C-N 3.33Å; D108-Q110 PolarHBondContact O-N 3.07Å; Q110-W114 PolarHBondContact O-N 2.75Å; Q110-W114 VanDerWaalsContact O-N 3.14Å
111V92.1Very high92.3Very high4 Ų447 Ų472%0.02426%0.257CS..Hα-helixtrans-62.5-51172.4179.90000110.3G82 F83 C105 C107 D108 Q109 D113 W114 V115G82-V111 WeakPolarHBondContact O-CG1 3.29Å; F83-V111 HydrophobicContact CB-CG1 4.18Å; C105-V111 HydrophobicContact CB-CG2 3.61Å; C107-V111 PolarHBondContact O-N 2.94Å; D108-V111 WeakPolarHBondContact O-CB 3.35Å; D108-V111 PolarHBondContact O-N 2.94Å; D108-V111 VanDerWaalsContact O-N 3.11Å; Q109-V111 PolarHBondContact O-N 2.79Å; V111-D113 PolarHBondContact O-N 3.36Å; V111-W114 PolarHBondContact O-N 2.96Å; V111-V115 HydrophobicContact CG1-CG2 4.29Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 2.99Å; V111-V115 PolarHBondContact O-N 3.31Å
112S94.1Very high92.6Very high64 Ų6447.1 Ų47.145%0.44826%0.257SS..Hα-helixtrans-58.1-46.5178.7-60.90000111.8D108 Q109 W114 V115 E116D108-S112 PolarHBondContact O-N 2.84Å; D108-S112 PolarHBondContact O-OG 2.96Å; Q109-S112 WeakPolarHBondContact O-CB 3.19Å; Q109-S112 PolarHBondContact O-N 3.47Å; Q109-S112 VanDerWaalsContact O-N 3.12Å; S112-W114 VanDerWaalsContact C-N 3.35Å; S112-W114 PolarHBondContact O-N 3.4Å; S112-V115 PolarHBondContact O-N 3.46Å; S112-E116 WeakPolarHBondContact O-CB 3.33Å; S112-E116 PolarHBondContact O-N 3.38Å
113D93.9Very high92.9Very high78 Ų7849 Ų4942%0.41727%0.267SS..Hα-helixtrans-58.6-45.6179.4-61.5-19.2000111.2Q109 V111 F117Q109-D113 PolarHBondContact NE2-OD1 3.26Å; Q109-D113 PolarHBondContact O-N 2.91Å; V111-D113 PolarHBondContact O-N 3.36Å; D113-F117 WeakPolarHBondContact O-CB 3.05Å; D113-F117 PolarHBondContact O-N 3.12Å
114W93.5Very high93.1Very high23 Ų2357.8 Ų57.89%0.08731%0.305CS..Hα-helixtrans-66.2-44177.5-85.6113.8000112.7L8 V21 V23 I28 F83 Q110 V111 S112 F117 L118L8-W114 HydrophobicContact CD1-CD2 4.49Å; L8-W114 HydrophobicContact CD1-CZ2 4.23Å; V21-W114 HydrophobicContact CB-CH2 4.44Å; V21-W114 HydrophobicContact CG1-CH2 3.87Å; V21-W114 HydrophobicContact CG1-CZ2 4.47Å; V21-W114 HydrophobicContact CG1-CZ3 4.32Å; V23-W114 HydrophobicContact CG2-CH2 3.99Å; V23-W114 HydrophobicContact CG2-CZ3 3.68Å; I28-W114 HydrophobicContact CD1-CZ3 4.27Å; F83-W114 HydrophobicContact CD1-CB 3.92Å; F83-W114 HydrophobicContact CD1-CG 4.4Å; F83-W114 HydrophobicContact CE1-CB 3.56Å; F83-W114 AromaticContact CE1-CD1 3.72Å; F83-W114 HydrophobicContact CE1-CD2 4.33Å; F83-W114 AromaticContact CE1-CG 3.59Å; F83-W114 HydrophobicContact CE1-CG 3.59Å; F83-W114 HydrophobicContact CE2-CB 4.42Å; F83-W114 HydrophobicContact CG-CB 4.48Å; F83-W114 HydrophobicContact CZ-CB 3.83Å; F83-W114 HydrophobicContact CZ-CD2 4.1Å; F83-W114 HydrophobicContact CZ-CE3 4.46Å; F83-W114 AromaticContact CZ-CG 3.8Å; F83-W114 HydrophobicContact CZ-CG 3.8Å; Q110-W114 PolarHBondContact O-N 2.75Å; Q110-W114 VanDerWaalsContact O-N 3.14Å; V111-W114 PolarHBondContact O-N 2.96Å; S112-W114 VanDerWaalsContact C-N 3.35Å; S112-W114 PolarHBondContact O-N 3.4Å; W114-F117 HydrophobicContact CE3-CD1 4.28Å; W114-F117 HydrophobicContact CZ3-CD1 4.29Å; W114-F117 HydrophobicContact CZ3-CE1 4.41Å; W114-L118 HydrophobicContact CE3-CD1 4.03Å; W114-L118 HydrophobicContact CE3-CD2 4.29Å; W114-L118 HydrophobicContact CE3-CG 4.05Å; W114-L118 HydrophobicContact CZ3-CD2 4.33Å; W114-L118 VanDerWaalsContact O-CB 3.29Å; W114-L118 WeakPolarHBondContact O-CB 3.16Å; W114-L118 WeakPolarHBondContact O-CG 3.31Å; W114-L118 PolarHBondContact O-N 3.42Å
115V94.8Very high93.4Very high26 Ų2658.2 Ų58.216%0.15831%0.31CS..Hα-helixtrans-61.9-48.9179.7170.10000110.4T53 F83 V111 S112 N119T53-V115 HydrophobicContact CG2-CG2 4.11Å; F83-V115 HydrophobicContact CB-CG2 3.76Å; F83-V115 HydrophobicContact CG-CG2 4.5Å; V111-V115 HydrophobicContact CG1-CG2 4.29Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 2.99Å; V111-V115 PolarHBondContact O-N 3.31Å; S112-V115 PolarHBondContact O-N 3.46Å; V115-N119 WeakPolarHBondContact O-CB 3.17Å; V115-N119 PolarHBondContact O-N 3.47Å; V115-N119 VanDerWaalsContact O-N 3.07Å; V115-N119 PolarHBondContact O-ND2 2.9Å
116E95.8Very high93.7Very high133 Ų13358.2 Ų58.262%0.62131%0.309SS*.Hα-helixtrans-63.7-48.4179.2-177.1177177.700111.6S112 L118 S120S112-E116 WeakPolarHBondContact O-CB 3.33Å; S112-E116 PolarHBondContact O-N 3.38Å; E116-L118 PolarHBondContact O-N 2.86Å; E116-S120 VanDerWaalsContact O-CB 3.22Å; E116-S120 WeakPolarHBondContact O-CB 3.29Å; E116-S120 PolarHBondContact O-N 2.99Å; E116-S120 PolarHBondContact O-OG 2.95Å
117F95Very high94Very high69 Ų6958.1 Ų58.130%0.30331%0.311SS..Hα-helixtrans-61.3-45.5-179170.3-97.6000112.2V23 D113 W114 S121V23-F117 HydrophobicContact CB-CE1 4.05Å; V23-F117 HydrophobicContact CB-CZ 4.23Å; V23-F117 HydrophobicContact CG1-CE1 3.66Å; V23-F117 HydrophobicContact CG1-CZ 3.66Å; V23-F117 HydrophobicContact CG2-CE1 3.89Å; D113-F117 WeakPolarHBondContact O-CB 3.05Å; D113-F117 PolarHBondContact O-N 3.12Å; W114-F117 HydrophobicContact CE3-CD1 4.28Å; W114-F117 HydrophobicContact CZ3-CD1 4.29Å; W114-F117 HydrophobicContact CZ3-CE1 4.41Å; F117-S121 WeakPolarHBondContact O-CB 3.28Å; F117-S121 PolarHBondContact O-N 3.05Å; F117-S121 PolarHBondContact O-OG 3.45Å
118L95.5Very high94.3Very high0 Ų057.9 Ų57.90%031%0.31CS..Hα-helixtrans-69.8-45.3-178.6-67.5173.8000111.6I28 F47 T53 F83 I85 W114 E116 S120 S121 V122I28-L118 HydrophobicContact CB-CD2 4.47Å; I28-L118 HydrophobicContact CD1-CD1 4.11Å; I28-L118 HydrophobicContact CD1-CD2 3.74Å; F47-L118 HydrophobicContact CE1-CD2 3.78Å; F47-L118 HydrophobicContact CZ-CD2 4.31Å; T53-L118 HydrophobicContact CG2-CD1 4.06Å; F83-L118 HydrophobicContact CD2-CD1 4.49Å; F83-L118 HydrophobicContact CE2-CD1 3.91Å; I85-L118 HydrophobicContact CD1-CD1 3.81Å; I85-L118 HydrophobicContact CG1-CD1 4.07Å; W114-L118 HydrophobicContact CE3-CD1 4.03Å; W114-L118 HydrophobicContact CE3-CD2 4.29Å; W114-L118 HydrophobicContact CE3-CG 4.05Å; W114-L118 HydrophobicContact CZ3-CD2 4.33Å; W114-L118 VanDerWaalsContact O-CB 3.29Å; W114-L118 WeakPolarHBondContact O-CB 3.16Å; W114-L118 WeakPolarHBondContact O-CG 3.31Å; W114-L118 PolarHBondContact O-N 3.42Å; E116-L118 PolarHBondContact O-N 2.86Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 2.75Å; L118-S121 PolarHBondContact O-N 2.81Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 3.25Å
119N96.4Very high94.6Very high46 Ų4654.3 Ų54.325%0.24629%0.29CS..Hα-helixtrans-62.7-39.7177.5-73.8-28.3000111.7T53 V115 V122 L123T53-N119 PolarHBondContact N-OD1 3.25Å; T53-N119 PolarHBondContact O-ND2 2.74Å; V115-N119 WeakPolarHBondContact O-CB 3.17Å; V115-N119 PolarHBondContact O-N 3.47Å; V115-N119 VanDerWaalsContact O-N 3.07Å; V115-N119 PolarHBondContact O-ND2 2.9Å; N119-V122 PolarHBondContact O-N 3.36Å; N119-L123 PolarHBondContact O-N 2.96Å
120S95.5Very high94.9Very high63 Ų6348.6 Ų48.644%0.44126%0.263SS..Hα-helixtrans-65-38.6174.4-61.50000112.4E116 L118 L123 K124E116-S120 VanDerWaalsContact O-CB 3.22Å; E116-S120 WeakPolarHBondContact O-CB 3.29Å; E116-S120 PolarHBondContact O-N 2.99Å; E116-S120 PolarHBondContact O-OG 2.95Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 2.75Å; S120-L123 PolarHBondContact O-N 2.83Å; S120-K124 WeakPolarHBondContact O-CB 3.46Å; S120-K124 PolarHBondContact O-N 3.02Å
121S95.3Very high95.2Very high17 Ų1752.8 Ų52.812%0.11928%0.278CS..Hα-helixtrans-65.9-37.3177.5-62.50000112.4F117 L118 K124 T125F117-S121 WeakPolarHBondContact O-CB 3.28Å; F117-S121 PolarHBondContact O-N 3.05Å; F117-S121 PolarHBondContact O-OG 3.45Å; L118-S121 PolarHBondContact O-N 2.81Å; S121-K124 PolarHBondContact O-N 3.39Å; S121-T125 WeakPolarHBondContact O-CB 3.37Å; S121-T125 WeakPolarHBondContact O-CG2 3.44Å; S121-T125 PolarHBondContact O-N 2.76Å; S121-T125 PolarHBondContact O-OG1 2.79Å
122V96Very high95.5Very high4 Ų455.3 Ų55.32%0.02429%0.291CS..Hα-helixtrans-59.4-50.3173172.80000110.8F47 I50 L118 N119 K124 T125 N126F47-V122 HydrophobicContact CB-CG2 4.41Å; F47-V122 HydrophobicContact CD1-CG2 4.14Å; I50-V122 HydrophobicContact CB-CG2 3.72Å; I50-V122 HydrophobicContact CG2-CG2 3.68Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 3.25Å; N119-V122 PolarHBondContact O-N 3.36Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.42Å; V122-T125 PolarHBondContact O-N 2.9Å; V122-T125 PolarHBondContact O-OG1 2.95Å; V122-N126 WeakPolarHBondContact O-CB 3.46Å; V122-N126 PolarHBondContact O-N 3.36Å
123L94.9Very high95.7Very high47 Ų4752.3 Ų52.325%0.24627%0.27CS..Hα-helixtrans-65.1-36.1-179.6-65.3177.8000112.7N119 S120N119-L123 PolarHBondContact O-N 2.96Å; S120-L123 PolarHBondContact O-N 2.83Å
124K94.5Very high96Very high185 Ų18548.6 Ų48.680%0.80425%0.25SC*.Hα-helixtrans-69.3-35.9178-174.6176.3-179.6176.70112.8S120 S121 V122S120-K124 WeakPolarHBondContact O-CB 3.46Å; S120-K124 PolarHBondContact O-N 3.02Å; S121-K124 PolarHBondContact O-N 3.39Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.42Å
125T94.5Very high96.2Very high30 Ų3047.5 Ų47.518%0.18425%0.246CC..Hα-helixtrans-88.9-20.1-177.553.80000113.6K25 F47 S121 V122K25-T125 WeakPolarHBondContact O-CG2 3.19Å; F47-T125 HydrophobicContact CB-CG2 4.32Å; F47-T125 WeakPolarHBondContact CB-OG1 3.36Å; F47-T125 HydrophobicContact CD2-CG2 3.96Å; S121-T125 WeakPolarHBondContact O-CB 3.37Å; S121-T125 WeakPolarHBondContact O-CG2 3.44Å; S121-T125 PolarHBondContact O-N 2.76Å; S121-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 PolarHBondContact O-N 2.9Å; V122-T125 PolarHBondContact O-OG1 2.95Å
126N94.9Very high96.4Very high11 Ų1146.2 Ų46.26%0.05924%0.238CC..  trans-127.776.1179.4-169.35.1000111.8V122 S128 R129 S266V122-N126 WeakPolarHBondContact O-CB 3.46Å; V122-N126 PolarHBondContact O-N 3.36Å; N126-S128 PolarHBondContact O-N 3.49Å; N126-S128 PolarHBondContact OD1-OG 2.73Å; N126-R129 WeakPolarHBondContact O-CB 3.33Å; N126-R129 PolarHBondContact O-N 3.17Å; N126-S266 PolarHBondContact ND2-O 3.35Å
127P94.4Very high96.5Very high115 Ų11539.9 Ų39.975%0.74721%0.209SC*.THydrogen-bonded Turntrans-68.9-17.1-179.328.4-35.7000113.8R129P127-R129 VanDerWaalsContact C-N 3.3Å
128S94.4Very high96.4Very high52 Ų5237.4 Ų37.436%0.36420%0.198SC..THydrogen-bonded Turntrans-80.3-10.7177.561.40000113.3N126 R235 G267N126-S128 PolarHBondContact O-N 3.49Å; N126-S128 PolarHBondContact OD1-OG 2.73Å; S128-R235 VanDerWaalsContact O-CZ 3.32Å; S128-R235 PolarHBondContact O-NH1 3.21Å; S128-R235 PolarHBondContact O-NH2 2.96Å; S128-G267 WeakPolarHBondContact O-CA 3.44Å; S128-G267 PolarHBondContact OG-O 3.39Å
129R97.5Very high96.1Very high10 Ų1039.1 Ų39.14%0.03821%0.21CC..SBendtrans-59126.4174.6169169-71.5-140.47.1110.7I50 I51 N126 P127 I265I50-R129 PolarHBondContact O-NH2 2.94Å; I51-R129 PolarHBondContact O-NH1 2.96Å; N126-R129 WeakPolarHBondContact O-CB 3.33Å; N126-R129 PolarHBondContact O-N 3.17Å; P127-R129 VanDerWaalsContact C-N 3.3Å; R129-I265 WeakPolarHBondContact CG-O 3.43Å; R129-I265 VanDerWaalsContact CZ-CG2 3.49Å; R129-I265 PolarHBondContact NE-O 2.79Å
130P98.2Very high95.6Very high1 Ų141.6 Ų41.61%0.00622%0.218CC..  trans-68.1149.717629-33.9000111.3L133 I163 D189 I264 F684P130-L133 HydrophobicContact CB-CD1 4.45Å; P130-L133 HydrophobicContact CB-CD2 3.61Å; P130-L133 HydrophobicContact CB-CG 4.1Å; P130-L133 HydrophobicContact CG-CD1 4.29Å; P130-L133 HydrophobicContact CG-CD2 4.14Å; P130-L133 HydrophobicContact CG-CG 4.48Å; P130-I163 HydrophobicContact CG-CD1 4.21Å; P130-I163 WeakPolarHBondContact O-CG1 3.47Å; P130-D189 HydrophobicContact CB-CB 3.77Å; P130-I264 VanDerWaalsContact CD-O 3.26Å; P130-I264 WeakPolarHBondContact CD-O 3.41Å; P130-I264 HydrophobicContact CG-CG2 4.39Å; P130-I264 VanDerWaalsContact CG-O 3.31Å; P130-I264 WeakPolarHBondContact CG-O 3.27Å; P130-F684 HydrophobicContact CB-CE1 4.25Å; P130-F684 HydrophobicContact CB-CZ 4.11Å; P130-F684 HydrophobicContact CG-CE1 3.9Å; P130-F684 HydrophobicContact CG-CZ 4.12Å
131R97.8Very high94.7Very high131 Ų13138.6 Ų38.649%0.49420%0.197SC..SBendtrans-116.2-35.4176.5-60.3-176.3-177.8-142.21.4111.9I163 Q164 D189R131-I163 CarbonylContact O-C 3.54Å; R131-I163 WeakPolarHBondContact O-CA 2.95Å; R131-Q164 PolarHBondContact O-N 3.35Å; R131-D189 WeakPolarHBondContact CA-OD2 3.42Å; R131-D189 PolarHBondContact N-OD2 3.12Å
132N98.6Very high93.5Very high56 Ų5639.3 Ų39.330%0.29921%0.207SC..EExtended strand (participates in β ladder)trans-126.1120.2-179.9-57.7-60.4000109.7Q164 S187 Y188 D189N132-Q164 WeakPolarHBondContact CA-O 3.19Å; N132-Q164 PolarHBondContact OD1-OE1 3.25Å; N132-S187 VanDerWaalsContact CB-O 3.26Å; N132-S187 WeakPolarHBondContact CB-O 3.49Å; N132-Y188 WeakPolarHBondContact O-CA 3.45Å; N132-D189 PolarHBondContact N-OD2 3.44Å; N132-D189 PolarHBondContact O-N 2.95Å
133L98.8Very high92.5Very high1 Ų143 Ų431%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-121.5134.5-179.2-65177.1000111.4P130 V135 F158 I163 Q164 T165 K166 I192 I264 F684P130-L133 HydrophobicContact CB-CD1 4.45Å; P130-L133 HydrophobicContact CB-CD2 3.61Å; P130-L133 HydrophobicContact CB-CG 4.1Å; P130-L133 HydrophobicContact CG-CD1 4.29Å; P130-L133 HydrophobicContact CG-CD2 4.14Å; P130-L133 HydrophobicContact CG-CG 4.48Å; L133-V135 HydrophobicContact CB-CG2 4.39Å; L133-F158 HydrophobicContact CD1-CE1 4.34Å; L133-F158 HydrophobicContact CD1-CE2 4.08Å; L133-F158 HydrophobicContact CD1-CZ 3.99Å; L133-I163 HydrophobicContact CB-CG2 4.4Å; L133-I163 HydrophobicContact CD1-CG2 3.64Å; L133-I163 HydrophobicContact CG-CG2 3.78Å; L133-Q164 PolarHBondContact N-O 3.35Å; L133-T165 HydrophobicContact CB-CG2 4.33Å; L133-T165 CarbonylContact O-C 3.45Å; L133-T165 VanDerWaalsContact O-CA 3.29Å; L133-T165 WeakPolarHBondContact O-CA 3.47Å; L133-K166 PolarHBondContact O-N 3.17Å; L133-I192 HydrophobicContact CB-CG1 4.19Å; L133-I192 HydrophobicContact CD1-CD1 4.23Å; L133-I192 HydrophobicContact CD1-CG1 3.91Å; L133-I192 HydrophobicContact CD2-CD1 4.13Å; L133-I192 HydrophobicContact CD2-CG1 4.2Å; L133-I192 HydrophobicContact CG-CG1 4.34Å; L133-I264 HydrophobicContact CD1-CG2 3.73Å; L133-F684 HydrophobicContact CD2-CE2 4.26Å; L133-F684 HydrophobicContact CD2-CZ 4.19Å
134L98.7Very high92Very high0 Ų047.3 Ų47.30%025%0.25CC..EExtended strand (participates in β ladder)trans-87118.3164.617761.4000108.1F136 K166 V168 Y179 L180 L185 Y188 G190 V191 I192L134-F136 HydrophobicContact CD2-CD2 4.49Å; L134-F136 HydrophobicContact CD2-CE2 3.65Å; L134-F136 HydrophobicContact CD2-CZ 3.92Å; L134-F136 HydrophobicContact CG-CD2 4.4Å; L134-F136 HydrophobicContact CG-CE2 4Å; L134-F136 HydrophobicContact CG-CZ 4.39Å; L134-K166 HydrophobicContact CD1-CB 4.24Å; L134-K166 HydrophobicContact CD1-CD 4.16Å; L134-K166 HydrophobicContact CD1-CG 4.26Å; L134-V168 HydrophobicContact CD1-CG2 3.94Å; L134-Y179 HydrophobicContact CD1-CE1 4.24Å; L134-Y179 HydrophobicContact CD2-CD1 4.24Å; L134-Y179 HydrophobicContact CD2-CE1 3.84Å; L134-L180 HydrophobicContact CD2-CD2 4.26Å; L134-L185 HydrophobicContact CD2-CD2 4.17Å; L134-Y188 HydrophobicContact CB-CD1 3.82Å; L134-Y188 HydrophobicContact CB-CD2 4.12Å; L134-Y188 HydrophobicContact CB-CE1 4.01Å; L134-Y188 HydrophobicContact CB-CE2 4.31Å; L134-Y188 HydrophobicContact CB-CG 3.89Å; L134-Y188 HydrophobicContact CD2-CE2 4.5Å; L134-G190 PolarHBondContact N-O 3.21Å; L134-V191 HydrophobicContact CB-CG2 4.41Å; L134-V191 HydrophobicContact CD2-CG2 4.34Å; L134-V191 CarbonylContact O-C 3.43Å; L134-V191 VanDerWaalsContact O-CA 3.32Å; L134-V191 WeakPolarHBondContact O-CA 3.44Å; L134-I192 PolarHBondContact O-N 2.99Å
135V98.8Very high91.7Very high0 Ų043.8 Ų43.80%023%0.234CC..EExtended strand (participates in β ladder)trans-110.6114.9-177.7-175.30000109.9L133 I137 Y150 F158 T165 K166 V167 V168 I192 V194L133-V135 HydrophobicContact CB-CG2 4.39Å; V135-I137 HydrophobicContact CG1-CG1 4.17Å; V135-Y150 HydrophobicContact CB-CE2 4.35Å; V135-Y150 HydrophobicContact CG1-CD2 4.01Å; V135-Y150 HydrophobicContact CG1-CE2 3.61Å; V135-Y150 HydrophobicContact CG2-CE2 4.19Å; V135-F158 HydrophobicContact CG2-CE2 4.43Å; V135-T165 HydrophobicContact CG2-CG2 3.97Å; V135-K166 PolarHBondContact N-O 2.7Å; V135-V167 HydrophobicContact CB-CG2 4.32Å; V135-V167 CarbonylContact O-C 3.59Å; V135-V167 WeakPolarHBondContact O-CA 3.22Å; V135-V168 PolarHBondContact O-N 2.94Å; V135-I192 CarbonylContact C-O 3.54Å; V135-I192 WeakPolarHBondContact CA-O 3.48Å; V135-I192 HydrophobicContact CG1-CB 4.45Å; V135-I192 HydrophobicContact CG2-CB 4.23Å; V135-I192 HydrophobicContact CG2-CG1 4.45Å; V135-V194 HydrophobicContact CG1-CG2 3.83Å
136F98.5Very high91.6Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-92.1133.1169.6-75.3-71.9000111.1L134 V168 T170 A176 Y179 L180 V191 I192 V194 F199L134-F136 HydrophobicContact CD2-CD2 4.49Å; L134-F136 HydrophobicContact CD2-CE2 3.65Å; L134-F136 HydrophobicContact CD2-CZ 3.92Å; L134-F136 HydrophobicContact CG-CD2 4.4Å; L134-F136 HydrophobicContact CG-CE2 4Å; L134-F136 HydrophobicContact CG-CZ 4.39Å; F136-V168 CarbonylContact C-O 3.46Å; F136-V168 WeakPolarHBondContact CA-O 3.46Å; F136-V168 HydrophobicContact CD1-CB 3.78Å; F136-V168 HydrophobicContact CD1-CG1 3.93Å; F136-V168 HydrophobicContact CE1-CB 3.88Å; F136-V168 HydrophobicContact CE1-CG1 3.81Å; F136-V168 HydrophobicContact CE1-CG2 4.44Å; F136-T170 HydrophobicContact CD1-CG2 4.07Å; F136-A176 HydrophobicContact CD1-CB 4.19Å; F136-A176 HydrophobicContact CE1-CB 4.25Å; F136-A176 HydrophobicContact CG-CB 4.34Å; F136-A176 HydrophobicContact CZ-CB 4.43Å; F136-Y179 AromaticContact CE1-CD1 3.98Å; F136-Y179 HydrophobicContact CE1-CD1 3.98Å; F136-Y179 HydrophobicContact CE1-CD2 4.43Å; F136-Y179 AromaticContact CE1-CG 3.86Å; F136-Y179 HydrophobicContact CE1-CG 3.86Å; F136-Y179 AromaticContact CZ-CD1 3.44Å; F136-Y179 HydrophobicContact CZ-CD1 3.44Å; F136-Y179 VanDerWaalsContact CZ-CD1 3.44Å; F136-Y179 HydrophobicContact CZ-CE1 4.16Å; F136-Y179 AromaticContact CZ-CG 3.73Å; F136-Y179 HydrophobicContact CZ-CG 3.73Å; F136-L180 HydrophobicContact CE2-CD1 4.28Å; F136-L180 HydrophobicContact CE2-CD2 3.84Å; F136-L180 HydrophobicContact CE2-CG 3.91Å; F136-L180 HydrophobicContact CZ-CD2 4.31Å; F136-L180 HydrophobicContact CZ-CG 4.15Å; F136-V191 HydrophobicContact CD2-CG1 3.6Å; F136-V191 HydrophobicContact CE2-CG1 3.77Å; F136-I192 PolarHBondContact N-O 3.39Å; F136-V194 PolarHBondContact O-N 3.19Å; F136-F199 HydrophobicContact CB-CE1 3.99Å; F136-F199 HydrophobicContact CB-CZ 3.71Å
137I97.9Very high91.6Very high0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-122.5121.1176-54.5178.5000108.4V135 P139 A146 Q147 Y150 V167 V168 A169 T170 V194V135-I137 HydrophobicContact CG1-CG1 4.17Å; I137-P139 VanDerWaalsContact O-CD 3.23Å; I137-P139 WeakPolarHBondContact O-CD 3.45Å; I137-A146 HydrophobicContact CG2-CB 4.08Å; I137-Q147 HydrophobicContact CG2-CB 4.41Å; I137-Y150 HydrophobicContact CD1-CD1 3.45Å; I137-Y150 VanDerWaalsContact CD1-CD1 3.45Å; I137-Y150 HydrophobicContact CD1-CD2 4.44Å; I137-Y150 HydrophobicContact CD1-CE1 4.11Å; I137-Y150 HydrophobicContact CD1-CG 3.63Å; I137-Y150 HydrophobicContact CG1-CG 4.43Å; I137-V167 HydrophobicContact CD1-CG1 3.44Å; I137-V167 VanDerWaalsContact CD1-CG1 3.44Å; I137-V167 HydrophobicContact CG1-CG1 4.01Å; I137-V168 PolarHBondContact N-O 3.33Å; I137-A169 CarbonylContact O-C 3.41Å; I137-A169 WeakPolarHBondContact O-CA 3.43Å; I137-T170 PolarHBondContact O-N 3.01Å; I137-T170 PolarHBondContact O-OG1 2.63Å; I137-V194 HydrophobicContact CG1-CB 4.16Å; I137-V194 HydrophobicContact CG1-CG2 4.1Å; I137-V194 HydrophobicContact CG2-CB 4.45Å
138N93.5Very high91.5Very high17 Ų1745.5 Ų45.59%0.09123%0.23CC..  trans-93.5101.6167.2177.2-14.9000109.2F140 S141 A146 T170 V194 F199N138-F140 PolarHBondContact O-N 3.01Å; N138-F140 VanDerWaalsContact O-N 3.14Å; N138-F140 PolarHBondContact OD1-N 2.99Å; N138-S141 VanDerWaalsContact CB-OG 3.3Å; N138-S141 WeakPolarHBondContact CB-OG 3.34Å; N138-S141 VanDerWaalsContact CG-OG 3.31Å; N138-S141 WeakPolarHBondContact O-CB 3.4Å; N138-S141 PolarHBondContact O-N 3.41Å; N138-S141 VanDerWaalsContact O-N 3.08Å; N138-S141 PolarHBondContact O-OG 3.19Å; N138-S141 VanDerWaalsContact O-OG 3.08Å; N138-A146 VanDerWaalsContact O-CB 3.26Å; N138-A146 WeakPolarHBondContact O-CB 3.22Å; N138-T170 WeakPolarHBondContact CA-OG1 3.44Å; N138-V194 PolarHBondContact N-O 3.32Å; N138-F199 HydrophobicContact CB-CB 4.48Å; N138-F199 HydrophobicContact CB-CD1 3.73Å; N138-F199 HydrophobicContact CB-CD2 3.85Å; N138-F199 HydrophobicContact CB-CE1 3.72Å; N138-F199 HydrophobicContact CB-CE2 3.86Å; N138-F199 HydrophobicContact CB-CG 3.75Å; N138-F199 HydrophobicContact CB-CZ 3.75Å
139P89.6Confident91.5Very high36 Ų3644.1 Ų44.123%0.23422%0.218CC..THydrogen-bonded Turntrans-65.3-19.8-173.527.7-35.1000113.2I137 S141 T170I137-P139 VanDerWaalsContact O-CD 3.23Å; I137-P139 WeakPolarHBondContact O-CD 3.45Å; P139-S141 VanDerWaalsContact C-N 3.33Å; P139-T170 WeakPolarHBondContact CD-O 3.2Å
140F84.6Confident91.4Very high98 Ų9844.2 Ų44.243%0.4322%0.219SC..THydrogen-bonded Turntrans-89.53.2179.5-55.4-74.3000113.4N138 G142N138-F140 PolarHBondContact O-N 3.01Å; N138-F140 VanDerWaalsContact O-N 3.14Å; N138-F140 PolarHBondContact OD1-N 2.99Å; F140-G142 PolarHBondContact O-N 3.36Å
141S77.3Confident91.2Very high0 Ų047.3 Ų47.30%024%0.238CC..SBendtrans-65.6131.3-176.1-66.10000113.8N138 P139 S143 K144 G195 N443N138-S141 VanDerWaalsContact CB-OG 3.3Å; N138-S141 WeakPolarHBondContact CB-OG 3.34Å; N138-S141 VanDerWaalsContact CG-OG 3.31Å; N138-S141 WeakPolarHBondContact O-CB 3.4Å; N138-S141 PolarHBondContact O-N 3.41Å; N138-S141 VanDerWaalsContact O-N 3.08Å; N138-S141 PolarHBondContact O-OG 3.19Å; N138-S141 VanDerWaalsContact O-OG 3.08Å; P139-S141 VanDerWaalsContact C-N 3.33Å; S141-S143 PolarHBondContact O-N 3.41Å; S141-S143 VanDerWaalsContact O-N 3.13Å; S141-K144 WeakPolarHBondContact O-CA 3.44Å; S141-K144 PolarHBondContact O-N 2.76Å; S141-G195 WeakPolarHBondContact OG-CA 3.42Å; S141-N443 VanDerWaalsContact CA-ND2 3.3Å; S141-N443 WeakPolarHBondContact CA-ND2 3.38Å
142G69.7Low90.9Very high31 Ų3147 Ų4732%0.3224%0.242SC..THydrogen-bonded Turntrans56.4-116.6168.500000112F140 K144 N443F140-G142 PolarHBondContact O-N 3.36Å; G142-K144 PolarHBondContact O-N 3.15Å; G142-N443 PolarHBondContact N-ND2 2.81Å; G142-N443 PolarHBondContact N-OD1 3.18Å
143S76Confident90.5Very high81 Ų8148.2 Ų48.257%0.56625%0.246SC*.THydrogen-bonded Turntrans-80.315.1176.769.50000114.3S141 K145S141-S143 PolarHBondContact O-N 3.41Å; S141-S143 VanDerWaalsContact O-N 3.13Å; S143-K145 VanDerWaalsContact C-N 3.26Å; S143-K145 PolarHBondContact O-N 3.17Å; S143-K145 VanDerWaalsContact OG-CD 3.3Å; S143-K145 WeakPolarHBondContact OG-CD 3.41Å; S143-K145 VanDerWaalsContact OG-CG 3.28Å; S143-K145 WeakPolarHBondContact OG-CG 3.44Å
144K83.8Confident90.4Very high138 Ų13848.2 Ų48.260%0.625%0.245SC*.THydrogen-bonded Turntrans58.434.3-175.1-51.9-175.6178.7-173.10113.6S141 G142S141-K144 WeakPolarHBondContact O-CA 3.44Å; S141-K144 PolarHBondContact O-N 2.76Å; G142-K144 PolarHBondContact O-N 3.15Å
145K88.6Confident90.3Very high111 Ų11149.5 Ų49.548%0.48326%0.256SS..THydrogen-bonded Turntrans-106.3-3.7-178.3-70.8-177.1-174.1179.10113.9S143 Q147 Q148 I149S143-K145 VanDerWaalsContact C-N 3.26Å; S143-K145 PolarHBondContact O-N 3.17Å; S143-K145 VanDerWaalsContact OG-CD 3.3Å; S143-K145 WeakPolarHBondContact OG-CD 3.41Å; S143-K145 VanDerWaalsContact OG-CG 3.28Å; S143-K145 WeakPolarHBondContact OG-CG 3.44Å; K145-Q147 VanDerWaalsContact C-N 3.32Å; K145-Q147 PolarHBondContact O-N 3.01Å; K145-Q148 PolarHBondContact O-N 3.29Å; K145-I149 HydrophobicContact CB-CD1 3.92Å; K145-I149 HydrophobicContact CB-CG1 4.19Å; K145-I149 WeakPolarHBondContact O-CB 3.4Å; K145-I149 WeakPolarHBondContact O-CG1 3.4Å; K145-I149 PolarHBondContact O-N 3.43Å
146A92.9Very high90Very high0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-51.8-47.4-17400000113.1I137 N138 Q148 I149 Y150 V194 A241I137-A146 HydrophobicContact CG2-CB 4.08Å; N138-A146 VanDerWaalsContact O-CB 3.26Å; N138-A146 WeakPolarHBondContact O-CB 3.22Å; A146-Q148 PolarHBondContact O-N 3.28Å; A146-I149 PolarHBondContact O-N 3.4Å; A146-Y150 PolarHBondContact O-N 2.93Å; A146-V194 HydrophobicContact CB-CG1 4.11Å; A146-A241 HydrophobicContact CB-CB 3.89Å
147Q94.3Very high89.8Confident76 Ų7649.9 Ų49.936%0.35526%0.258SS..Hα-helixtrans-59.4-46.7176.5-174.265.54300112.1I137 K145 Y150 T151I137-Q147 HydrophobicContact CG2-CB 4.41Å; K145-Q147 VanDerWaalsContact C-N 3.32Å; K145-Q147 PolarHBondContact O-N 3.01Å; Q147-Y150 PolarHBondContact O-N 3.07Å; Q147-T151 WeakPolarHBondContact O-CB 3.33Å; Q147-T151 PolarHBondContact O-N 3.18Å; Q147-T151 PolarHBondContact O-OG1 2.72Å; Q147-T151 VanDerWaalsContact O-OG1 3.07Å
148Q92.4Very high89.8Confident116 Ų11650 Ų5054%0.54226%0.259SS..Hα-helixtrans-67.4-40-179.7-68177.1-12.100111.9K145 A146 T151 H152K145-Q148 PolarHBondContact O-N 3.29Å; A146-Q148 PolarHBondContact O-N 3.28Å; Q148-T151 PolarHBondContact O-N 3.31Å; Q148-H152 WeakPolarHBondContact O-CB 3.28Å; Q148-H152 PolarHBondContact O-N 2.75Å; Q148-H152 PolarHBondContact O-ND1 2.81Å
149I93.7Very high89.8Confident24 Ų2455.8 Ų55.812%0.12328%0.281CS..Hα-helixtrans-58.1-51175-72.8168.1000109.3K145 A146 Q153 V154 I239 A241 V257K145-I149 HydrophobicContact CB-CD1 3.92Å; K145-I149 HydrophobicContact CB-CG1 4.19Å; K145-I149 WeakPolarHBondContact O-CB 3.4Å; K145-I149 WeakPolarHBondContact O-CG1 3.4Å; K145-I149 PolarHBondContact O-N 3.43Å; A146-I149 PolarHBondContact O-N 3.4Å; I149-Q153 WeakPolarHBondContact O-CB 3.36Å; I149-Q153 PolarHBondContact O-N 2.91Å; I149-V154 PolarHBondContact O-N 2.85Å; I149-I239 HydrophobicContact CG2-CG2 4.04Å; I149-A241 HydrophobicContact CD1-CB 3.87Å; I149-V257 HydrophobicContact CG2-CB 4.31Å; I149-V257 HydrophobicContact CG2-CG1 3.61Å; I149-V257 HydrophobicContact CG2-CG2 3.7Å
150Y95.7Very high90Very high11 Ų1154.4 Ų54.44%0.04327%0.271CS..Iπ-helixtrans-58.4-54.7178.1179.7-105.1000111.6V135 I137 A146 Q147 H152 V154 A155 F158 T165 V167 V194V135-Y150 HydrophobicContact CB-CE2 4.35Å; V135-Y150 HydrophobicContact CG1-CD2 4.01Å; V135-Y150 HydrophobicContact CG1-CE2 3.61Å; V135-Y150 HydrophobicContact CG2-CE2 4.19Å; I137-Y150 HydrophobicContact CD1-CD1 3.45Å; I137-Y150 VanDerWaalsContact CD1-CD1 3.45Å; I137-Y150 HydrophobicContact CD1-CD2 4.44Å; I137-Y150 HydrophobicContact CD1-CE1 4.11Å; I137-Y150 HydrophobicContact CD1-CG 3.63Å; I137-Y150 HydrophobicContact CG1-CG 4.43Å; A146-Y150 PolarHBondContact O-N 2.93Å; Q147-Y150 PolarHBondContact O-N 3.07Å; Y150-H152 PolarHBondContact O-N 2.73Å; Y150-V154 HydrophobicContact CD2-CB 3.84Å; Y150-V154 HydrophobicContact CD2-CG1 3.95Å; Y150-V154 HydrophobicContact CE2-CB 4.31Å; Y150-V154 HydrophobicContact CE2-CG1 4.04Å; Y150-V154 PolarHBondContact O-N 3.02Å; Y150-V154 VanDerWaalsContact O-N 3.08Å; Y150-A155 HydrophobicContact CD1-CB 4.22Å; Y150-A155 HydrophobicContact CE1-CB 3.78Å; Y150-A155 HydrophobicContact CE2-CB 4.28Å; Y150-A155 PolarHBondContact O-N 3.1Å; Y150-F158 HydrophobicContact CE2-CD2 4.34Å; Y150-F158 HydrophobicContact CE2-CE2 4.31Å; Y150-T165 PolarHBondContact OH-OG1 3.48Å; Y150-V167 HydrophobicContact CE1-CG1 4.31Å; Y150-V167 HydrophobicContact CE1-CG2 3.65Å; Y150-V167 WeakPolarHBondContact OH-CG2 3.47Å; Y150-V194 HydrophobicContact CD2-CG2 3.88Å; Y150-V194 HydrophobicContact CG-CG2 4.39Å
151T94Very high90.6Very high66 Ų6650.1 Ų50.141%0.40525%0.254SS..Iπ-helixtrans-61.4-38.9-175.2-64.30000113.3Q147 Q148 P156Q147-T151 WeakPolarHBondContact O-CB 3.33Å; Q147-T151 PolarHBondContact O-N 3.18Å; Q147-T151 PolarHBondContact O-OG1 2.72Å; Q147-T151 VanDerWaalsContact O-OG1 3.07Å; Q148-T151 PolarHBondContact O-N 3.31Å; T151-P156 WeakPolarHBondContact O-CD 3.18Å
152H91Very high91.4Very high125 Ų12556 Ų5658%0.57929%0.286SS*.Iπ-helixtrans-100.1-18.6-172.2-60.195.1000114.6Q148 Y150Q148-H152 WeakPolarHBondContact O-CB 3.28Å; Q148-H152 PolarHBondContact O-N 2.75Å; Q148-H152 PolarHBondContact O-ND1 2.81Å; Y150-H152 PolarHBondContact O-N 2.73Å
153Q91.4Very high92.8Very high82 Ų8255 Ų5538%0.38327%0.273SS..Iπ-helixtrans-122.6-32.5-174.8-60.7-177.46100113.6I149 L157 V257I149-Q153 WeakPolarHBondContact O-CB 3.36Å; I149-Q153 PolarHBondContact O-N 2.91Å; Q153-L157 VanDerWaalsContact O-CD1 3.32Å; Q153-L157 WeakPolarHBondContact O-CD1 3.46Å; Q153-L157 WeakPolarHBondContact O-CG 3.49Å; Q153-V257 HydrophobicContact CB-CG1 3.88Å
154V96.1Very high93.8Very high0 Ų057.6 Ų57.60%028%0.276CS..Iπ-helixtrans-101.3-56.5-172.2-176.80000112.6I149 Y150 P156 L157 F158 I239 V257 A261I149-V154 PolarHBondContact O-N 2.85Å; Y150-V154 HydrophobicContact CD2-CB 3.84Å; Y150-V154 HydrophobicContact CD2-CG1 3.95Å; Y150-V154 HydrophobicContact CE2-CB 4.31Å; Y150-V154 HydrophobicContact CE2-CG1 4.04Å; Y150-V154 PolarHBondContact O-N 3.02Å; Y150-V154 VanDerWaalsContact O-N 3.08Å; V154-P156 VanDerWaalsContact C-N 3.27Å; V154-L157 PolarHBondContact O-N 2.7Å; V154-F158 HydrophobicContact CG1-CD2 3.9Å; V154-F158 HydrophobicContact CG1-CE1 4.13Å; V154-F158 HydrophobicContact CG1-CE2 3.5Å; V154-F158 VanDerWaalsContact CG1-CE2 3.5Å; V154-F158 HydrophobicContact CG1-CG 4.41Å; V154-F158 HydrophobicContact CG1-CZ 3.62Å; V154-F158 PolarHBondContact O-N 2.92Å; V154-I239 HydrophobicContact CG1-CD1 4.07Å; V154-I239 HydrophobicContact CG1-CG1 4.18Å; V154-I239 HydrophobicContact CG2-CD1 4.05Å; V154-I239 HydrophobicContact CG2-CG1 4.14Å; V154-I239 HydrophobicContact CG2-CG2 3.76Å; V154-V257 HydrophobicContact CG2-CG1 3.62Å; V154-A261 HydrophobicContact CG1-CB 4.17Å; V154-A261 HydrophobicContact CG2-CB 4.48Å
155A95.9Very high94.5Very high28 Ų2853.6 Ų53.623%0.23126%0.263CS..Hα-helixtrans-51.9-42.6178.400000112.4Y150 L157 F158 Y159Y150-A155 HydrophobicContact CD1-CB 4.22Å; Y150-A155 HydrophobicContact CE1-CB 3.78Å; Y150-A155 HydrophobicContact CE2-CB 4.28Å; Y150-A155 PolarHBondContact O-N 3.1Å; A155-L157 PolarHBondContact O-N 3.03Å; A155-F158 PolarHBondContact O-N 3.39Å; A155-Y159 WeakPolarHBondContact O-CB 3.2Å; A155-Y159 PolarHBondContact O-N 3.48Å
156P92.5Very high95Very high5 Ų552.6 Ų52.63%0.03226%0.259CS..Hα-helixtrans-39.5-54.4162-46.146.8000117.4W64 T151 V154 Y159 L160W64-P156 HydrophobicContact CD2-CB 3.86Å; W64-P156 HydrophobicContact CD2-CG 3.69Å; W64-P156 HydrophobicContact CE3-CB 3.33Å; W64-P156 HydrophobicContact CE3-CG 3.69Å; W64-P156 HydrophobicContact CG-CG 4.19Å; W64-P156 HydrophobicContact CH2-CB 3.71Å; W64-P156 HydrophobicContact CH2-CG 4.36Å; W64-P156 WeakPolarHBondContact CH2-O 3.42Å; W64-P156 HydrophobicContact CZ2-CB 4.18Å; W64-P156 HydrophobicContact CZ2-CG 4.36Å; W64-P156 HydrophobicContact CZ3-CB 3.23Å; W64-P156 HydrophobicContact CZ3-CG 4.02Å; W64-P156 WeakPolarHBondContact CZ3-O 3.42Å; T151-P156 WeakPolarHBondContact O-CD 3.18Å; V154-P156 VanDerWaalsContact C-N 3.27Å; P156-Y159 PolarHBondContact O-N 3.1Å; P156-L160 PolarHBondContact O-N 2.86Å
157L95.3Very high95.3Very high2 Ų255.7 Ų55.71%0.0128%0.277CS..Hα-helixtrans-73.6-36.7-175.5-59.9174.6000111.1L68 V98 Q153 V154 A155 L160 A161 V258 A261 L262 I265L68-L157 HydrophobicContact CD1-CD2 4.38Å; V98-L157 HydrophobicContact CG2-CD2 3.73Å; Q153-L157 VanDerWaalsContact O-CD1 3.32Å; Q153-L157 WeakPolarHBondContact O-CD1 3.46Å; Q153-L157 WeakPolarHBondContact O-CG 3.49Å; V154-L157 PolarHBondContact O-N 2.7Å; A155-L157 PolarHBondContact O-N 3.03Å; L157-L160 HydrophobicContact CD2-CD1 4.49Å; L157-L160 PolarHBondContact O-N 3.44Å; L157-A161 WeakPolarHBondContact O-CB 3.27Å; L157-A161 PolarHBondContact O-N 2.78Å; L157-V258 HydrophobicContact CD1-CG1 4.12Å; L157-A261 HydrophobicContact CD1-CB 3.8Å; L157-L262 HydrophobicContact CD1-CD2 4.39Å; L157-I265 HydrophobicContact CB-CD1 3.57Å; L157-I265 WeakPolarHBondContact O-CD1 3.23Å
158F97.5Very high95.4Very high2 Ų253 Ų531%0.00927%0.266CS..Hα-helixtrans-64.1-40.4173.2-68.8-13.3000112L133 V135 Y150 V154 A155 A161 N162 I163 T165 I264 I265L133-F158 HydrophobicContact CD1-CE1 4.34Å; L133-F158 HydrophobicContact CD1-CE2 4.08Å; L133-F158 HydrophobicContact CD1-CZ 3.99Å; V135-F158 HydrophobicContact CG2-CE2 4.43Å; Y150-F158 HydrophobicContact CE2-CD2 4.34Å; Y150-F158 HydrophobicContact CE2-CE2 4.31Å; V154-F158 HydrophobicContact CG1-CD2 3.9Å; V154-F158 HydrophobicContact CG1-CE1 4.13Å; V154-F158 HydrophobicContact CG1-CE2 3.5Å; V154-F158 VanDerWaalsContact CG1-CE2 3.5Å; V154-F158 HydrophobicContact CG1-CG 4.41Å; V154-F158 HydrophobicContact CG1-CZ 3.62Å; V154-F158 PolarHBondContact O-N 2.92Å; A155-F158 PolarHBondContact O-N 3.39Å; F158-A161 CarbonylContact O-C 3.5Å; F158-A161 PolarHBondContact O-N 3.37Å; F158-N162 PolarHBondContact O-N 2.98Å; F158-I163 HydrophobicContact CB-CB 4.2Å; F158-I163 HydrophobicContact CD1-CD1 4.24Å; F158-I163 PolarHBondContact O-N 3.45Å; F158-T165 HydrophobicContact CB-CG2 4.32Å; F158-T165 HydrophobicContact CD2-CG2 3.7Å; F158-T165 HydrophobicContact CE2-CG2 4.43Å; F158-T165 HydrophobicContact CG-CG2 4.4Å; F158-I264 HydrophobicContact CE1-CB 4.16Å; F158-I264 HydrophobicContact CE1-CG2 3.77Å; F158-I264 HydrophobicContact CZ-CB 4.34Å; F158-I264 HydrophobicContact CZ-CD1 4.24Å; F158-I264 HydrophobicContact CZ-CG2 3.8Å; F158-I265 HydrophobicContact CD1-CD1 3.94Å; F158-I265 HydrophobicContact CD1-CG1 3.69Å; F158-I265 HydrophobicContact CE1-CD1 4.33Å; F158-I265 HydrophobicContact CE1-CG1 3.93Å
159Y94Very high95.7Very high140 Ų14049.8 Ų49.855%0.54926%0.259SS..Hα-helixtrans-60.3-48.9173.1176.2-93.8000111.6W64 A155 P156 A161 N162W64-Y159 AromaticContact CH2-CD1 3.9Å; W64-Y159 HydrophobicContact CH2-CD1 3.9Å; W64-Y159 AromaticContact CZ2-CD1 3.9Å; W64-Y159 HydrophobicContact CZ2-CD1 3.9Å; W64-Y159 HydrophobicContact CZ2-CG 4.36Å; A155-Y159 WeakPolarHBondContact O-CB 3.2Å; A155-Y159 PolarHBondContact O-N 3.48Å; P156-Y159 PolarHBondContact O-N 3.1Å; Y159-A161 PolarHBondContact O-N 3.14Å; Y159-N162 PolarHBondContact O-N 3.32Å
160L93.5Very high95.8Very high7 Ų748.9 Ų48.94%0.03726%0.255CS..Hα-helixtrans-57.5-34.5175.2-79.2178.4000112.7I51 G52 T54 W64 L65 L68 W86 P156 L157 N162I51-L160 HydrophobicContact CG2-CB 3.88Å; G52-L160 WeakPolarHBondContact CA-O 3.17Å; T54-L160 HydrophobicContact CG2-CD2 3.55Å; W64-L160 HydrophobicContact CH2-CG 4.2Å; W64-L160 HydrophobicContact CZ3-CD1 4.33Å; W64-L160 HydrophobicContact CZ3-CG 4.32Å; L65-L160 HydrophobicContact CD1-CD2 4.48Å; L65-L160 HydrophobicContact CD2-CD1 3.74Å; L65-L160 HydrophobicContact CD2-CD2 3.45Å; L65-L160 VanDerWaalsContact CD2-CD2 3.45Å; L65-L160 HydrophobicContact CD2-CG 3.71Å; L68-L160 HydrophobicContact CD1-CD1 4.42Å; W86-L160 HydrophobicContact CB-CD1 4.32Å; W86-L160 HydrophobicContact CD2-CD1 3.69Å; W86-L160 HydrophobicContact CD2-CD2 4.04Å; W86-L160 HydrophobicContact CE3-CD1 3.82Å; W86-L160 HydrophobicContact CG-CD1 3.91Å; W86-L160 HydrophobicContact CG-CD2 3.99Å; W86-L160 HydrophobicContact CG-CG 4.49Å; W86-L160 HydrophobicContact CZ2-CD2 4.45Å; W86-L160 HydrophobicContact CZ3-CD1 4.4Å; P156-L160 PolarHBondContact O-N 2.86Å; L157-L160 HydrophobicContact CD2-CD1 4.49Å; L157-L160 PolarHBondContact O-N 3.44Å; L160-N162 PolarHBondContact O-N 2.98Å
161A96.3Very high95.7Very high8 Ų853.6 Ų53.67%0.06629%0.285CS..THydrogen-bonded Turntrans-81.51.7178.600000114.5I51 L157 F158 Y159 I163 I265I51-A161 HydrophobicContact CG2-CB 4.12Å; I51-A161 VanDerWaalsContact O-CA 3.28Å; I51-A161 WeakPolarHBondContact O-CA 3.38Å; L157-A161 WeakPolarHBondContact O-CB 3.27Å; L157-A161 PolarHBondContact O-N 2.78Å; F158-A161 CarbonylContact O-C 3.5Å; F158-A161 PolarHBondContact O-N 3.37Å; Y159-A161 PolarHBondContact O-N 3.14Å; A161-I163 HydrophobicContact CB-CD1 3.74Å; A161-I163 HydrophobicContact CB-CG1 3.78Å; A161-I163 PolarHBondContact O-N 3.24Å; A161-I265 HydrophobicContact CB-CB 4.42Å; A161-I265 HydrophobicContact CB-CD1 4.21Å; A161-I265 HydrophobicContact CB-CG1 3.94Å; A161-I265 HydrophobicContact CB-CG2 3.65Å
162N95.2Very high95.7Very high124 Ų12454 Ų5466%0.66329%0.291SS*.THydrogen-bonded Turntrans54.839.2-173.5-163.736.1000112.9F158 Y159 L160F158-N162 PolarHBondContact O-N 2.98Å; Y159-N162 PolarHBondContact O-N 3.32Å; L160-N162 PolarHBondContact O-N 2.98Å
163I98.1Very high95.5Very high10 Ų1054 Ų545%0.05129%0.286CS..  trans-97.4121.3177.3-59.6177.3000108.6P130 R131 L133 F158 A161 T165 I265P130-I163 HydrophobicContact CG-CD1 4.21Å; P130-I163 WeakPolarHBondContact O-CG1 3.47Å; R131-I163 CarbonylContact O-C 3.54Å; R131-I163 WeakPolarHBondContact O-CA 2.95Å; L133-I163 HydrophobicContact CB-CG2 4.4Å; L133-I163 HydrophobicContact CD1-CG2 3.64Å; L133-I163 HydrophobicContact CG-CG2 3.78Å; F158-I163 HydrophobicContact CB-CB 4.2Å; F158-I163 HydrophobicContact CD1-CD1 4.24Å; F158-I163 PolarHBondContact O-N 3.45Å; A161-I163 HydrophobicContact CB-CD1 3.74Å; A161-I163 HydrophobicContact CB-CG1 3.78Å; A161-I163 PolarHBondContact O-N 3.24Å; I163-T165 HydrophobicContact CG2-CG2 4.44Å; I163-I265 HydrophobicContact CD1-CB 4.42Å; I163-I265 HydrophobicContact CD1-CG1 3.86Å
164Q98.3Very high95.6Very high134 Ų13453.5 Ų53.563%0.62629%0.285SS*.EExtended strand (participates in β ladder)trans-77.5139173-61.4-172.32.800110R131 N132 L133R131-Q164 PolarHBondContact O-N 3.35Å; N132-Q164 WeakPolarHBondContact CA-O 3.19Å; N132-Q164 PolarHBondContact OD1-OE1 3.25Å; L133-Q164 PolarHBondContact N-O 3.35Å
165T98.5Very high95.7Very high54 Ų5455.8 Ų55.833%0.33130%0.296SS..EExtended strand (participates in β ladder)trans-128.5133-179.659.70000111.4L133 V135 Y150 F158 I163L133-T165 HydrophobicContact CB-CG2 4.33Å; L133-T165 CarbonylContact O-C 3.45Å; L133-T165 VanDerWaalsContact O-CA 3.29Å; L133-T165 WeakPolarHBondContact O-CA 3.47Å; V135-T165 HydrophobicContact CG2-CG2 3.97Å; Y150-T165 PolarHBondContact OH-OG1 3.48Å; F158-T165 HydrophobicContact CB-CG2 4.32Å; F158-T165 HydrophobicContact CD2-CG2 3.7Å; F158-T165 HydrophobicContact CE2-CG2 4.43Å; F158-T165 HydrophobicContact CG-CG2 4.4Å; I163-T165 HydrophobicContact CG2-CG2 4.44Å
166K98.5Very high95.7Very high91 Ų9154.4 Ų54.440%0.39629%0.285SS..EExtended strand (participates in β ladder)trans-99.3118.2162.1-176.8-178.5-175.3-177.70107.9L133 L134 V135 Y179 Y188L133-K166 PolarHBondContact O-N 3.17Å; L134-K166 HydrophobicContact CD1-CB 4.24Å; L134-K166 HydrophobicContact CD1-CD 4.16Å; L134-K166 HydrophobicContact CD1-CG 4.26Å; V135-K166 PolarHBondContact N-O 2.7Å; K166-Y179 VanDerWaalsContact CE-OH 3.3Å; K166-Y179 WeakPolarHBondContact CE-OH 3.35Å; K166-Y179 PolarHBondContact NZ-OH 2.81Å; K166-Y188 HydrophobicContact CB-CE1 3.96Å; K166-Y188 HydrophobicContact CD-CE1 4.39Å; K166-Y188 WeakPolarHBondContact CD-OH 3.22Å
167V98.4Very high96Very high64 Ų6454.7 Ų54.739%0.38829%0.286SS..EExtended strand (participates in β ladder)trans-101.7127.6-176.2-175.70000110.2V135 I137 Y150V135-V167 HydrophobicContact CB-CG2 4.32Å; V135-V167 CarbonylContact O-C 3.59Å; V135-V167 WeakPolarHBondContact O-CA 3.22Å; I137-V167 HydrophobicContact CD1-CG1 3.44Å; I137-V167 VanDerWaalsContact CD1-CG1 3.44Å; I137-V167 HydrophobicContact CG1-CG1 4.01Å; Y150-V167 HydrophobicContact CE1-CG1 4.31Å; Y150-V167 HydrophobicContact CE1-CG2 3.65Å; Y150-V167 WeakPolarHBondContact OH-CG2 3.47Å
168V97.9Very high96.1Very high19 Ų1958.3 Ų58.312%0.11531%0.306CS..EExtended strand (participates in β ladder)trans-120.9111175-178.80000108.5L134 V135 F136 I137 Y179L134-V168 HydrophobicContact CD1-CG2 3.94Å; V135-V168 PolarHBondContact O-N 2.94Å; F136-V168 CarbonylContact C-O 3.46Å; F136-V168 WeakPolarHBondContact CA-O 3.46Å; F136-V168 HydrophobicContact CD1-CB 3.78Å; F136-V168 HydrophobicContact CD1-CG1 3.93Å; F136-V168 HydrophobicContact CE1-CB 3.88Å; F136-V168 HydrophobicContact CE1-CG1 3.81Å; F136-V168 HydrophobicContact CE1-CG2 4.44Å; I137-V168 PolarHBondContact N-O 3.33Å; V168-Y179 HydrophobicContact CG1-CD2 4.38Å; V168-Y179 HydrophobicContact CG1-CE2 4.39Å; V168-Y179 HydrophobicContact CG2-CE2 4.06Å
169A97.1Very high96.1Very high49 Ų4959.7 Ų59.741%0.40531%0.311SS..EExtended strand (participates in β ladder)trans-81.612617100000109.4I137I137-A169 CarbonylContact O-C 3.41Å; I137-A169 WeakPolarHBondContact O-CA 3.43Å
170T96.5Very high96.3Very high6 Ų653 Ų534%0.03729%0.285CS..  trans-80.1146.9-179.462.20000112.2F136 I137 N138 P139 H175 A176 F199F136-T170 HydrophobicContact CD1-CG2 4.07Å; I137-T170 PolarHBondContact O-N 3.01Å; I137-T170 PolarHBondContact O-OG1 2.63Å; N138-T170 WeakPolarHBondContact CA-OG1 3.44Å; P139-T170 WeakPolarHBondContact CD-O 3.2Å; T170-H175 WeakPolarHBondContact CA-ND1 3.48Å; T170-H175 HydrophobicContact CG2-CB 4.41Å; T170-A176 HydrophobicContact CG2-CB 4.38Å; T170-F199 HydrophobicContact CG2-CE2 3.71Å; T170-F199 HydrophobicContact CG2-CZ 3.7Å
171T94Very high96.4Very high110 Ų11054 Ų5468%0.67529%0.29SS*.  trans-116.2-21.2-170.150.60000112.7H175T171-H175 PolarHBondContact N-ND1 3.35Å
172S92.6Very high96.4Very high74 Ų7461 Ų6152%0.51732%0.321SS..SBendtrans-147.8173.7-18058.10000110.8
173R88.5Confident96.4Very high126 Ų12658 Ų5848%0.47531%0.305SS..THydrogen-bonded Turntrans-60.8149.5165.1-167.5-170.4-69.3152.32109.6H175R173-H175 PolarHBondContact O-N 3.37Å
174D93.2Very high96.2Very high71 Ų7160.8 Ų60.838%0.3833%0.326SS..THydrogen-bonded Turntrans66-0.5174.2-55.7-50.5000115A176 T177 D178 E202D174-A176 VanDerWaalsContact C-N 3.29Å; D174-A176 PolarHBondContact O-N 3.11Å; D174-T177 WeakPolarHBondContact O-CA 3.28Å; D174-T177 VanDerWaalsContact O-CB 3.26Å; D174-T177 WeakPolarHBondContact O-CB 3.44Å; D174-T177 PolarHBondContact O-N 2.96Å; D174-D178 PolarHBondContact O-N 3.12Å; D174-E202 VanDerWaalsContact CA-CD 3.5Å; D174-E202 VanDerWaalsContact CA-OE1 3.24Å; D174-E202 WeakPolarHBondContact CA-OE1 3.24Å; D174-E202 VanDerWaalsContact N-CD 3.31Å; D174-E202 PolarHBondContact N-OE1 3.4Å; D174-E202 PolarHBondContact N-OE2 3.21Å
175H97.1Very high96.1Very high47 Ų4754.9 Ų54.922%0.21830%0.298CS..Hα-helixtrans-60.9-36.1178.8179.7-153.9000112.5T170 T171 R173 Y179 E202T170-H175 WeakPolarHBondContact CA-ND1 3.48Å; T170-H175 HydrophobicContact CG2-CB 4.41Å; T171-H175 PolarHBondContact N-ND1 3.35Å; R173-H175 PolarHBondContact O-N 3.37Å; H175-Y179 VanDerWaalsContact O-CB 3.23Å; H175-Y179 WeakPolarHBondContact O-CB 3.39Å; H175-Y179 PolarHBondContact O-N 3.3Å; H175-E202 PolarHBondContact N-OE1 3.26Å; H175-E202 VanDerWaalsContact N-OE1 3.16Å
176A97.3Very high95.9Very high0 Ų058.6 Ų58.60%032%0.316CS..Hα-helixtrans-69.9-36.8175.200000111.4F136 T170 D174 L180 F199 E202F136-A176 HydrophobicContact CD1-CB 4.19Å; F136-A176 HydrophobicContact CE1-CB 4.25Å; F136-A176 HydrophobicContact CG-CB 4.34Å; F136-A176 HydrophobicContact CZ-CB 4.43Å; T170-A176 HydrophobicContact CG2-CB 4.38Å; D174-A176 VanDerWaalsContact C-N 3.29Å; D174-A176 PolarHBondContact O-N 3.11Å; A176-L180 WeakPolarHBondContact O-CB 3.43Å; A176-L180 WeakPolarHBondContact O-CD1 3.34Å; A176-L180 WeakPolarHBondContact O-CG 3.37Å; A176-L180 PolarHBondContact O-N 3.29Å; A176-L180 VanDerWaalsContact O-N 3.08Å; A176-F199 HydrophobicContact CB-CE2 3.9Å; A176-F199 HydrophobicContact CB-CZ 4.4Å; A176-E202 HydrophobicContact CB-CG 4.29Å; A176-E202 WeakPolarHBondContact CB-OE1 3.5Å; A176-E202 PolarHBondContact N-OE1 3.46Å
177T97.3Very high95.8Very high11 Ų1157.8 Ų57.87%0.06732%0.322CS..Hα-helixtrans-58.4-55.9173.8-56.90000110.4D174 Y179 L180 I181 E202 Q205 L209D174-T177 WeakPolarHBondContact O-CA 3.28Å; D174-T177 VanDerWaalsContact O-CB 3.26Å; D174-T177 WeakPolarHBondContact O-CB 3.44Å; D174-T177 PolarHBondContact O-N 2.96Å; T177-Y179 PolarHBondContact O-N 2.96Å; T177-L180 PolarHBondContact O-N 3.16Å; T177-I181 HydrophobicContact CG2-CD1 3.87Å; T177-I181 WeakPolarHBondContact O-CG1 3.33Å; T177-I181 PolarHBondContact O-N 3.49Å; T177-I181 VanDerWaalsContact O-N 3.08Å; T177-E202 WeakPolarHBondContact OG1-CG 3.29Å; T177-E202 PolarHBondContact OG1-O 3.3Å; T177-E202 VanDerWaalsContact OG1-O 3.05Å; T177-Q205 HydrophobicContact CG2-CB 4.22Å; T177-L209 HydrophobicContact CG2-CD1 4.39Å
178D97.5Very high95.8Very high77 Ų7756.6 Ų56.641%0.41231%0.311SS..Hα-helixtrans-60.4-46.2-177.3-63.5-20.7000110.7D174 L180 I181 E182D174-D178 PolarHBondContact O-N 3.12Å; D178-L180 VanDerWaalsContact C-N 3.33Å; D178-L180 PolarHBondContact O-N 3.26Å; D178-I181 PolarHBondContact O-N 3.01Å; D178-E182 WeakPolarHBondContact O-CB 3.36Å; D178-E182 VanDerWaalsContact O-CG 3.28Å; D178-E182 WeakPolarHBondContact O-CG 3.26Å; D178-E182 PolarHBondContact O-N 3.2Å
179Y98.2Very high95.8Very high31 Ų3158.5 Ų58.512%0.12232%0.32CS..Hα-helixtrans-57.5-46178.3-170.1-76.3000112.3L134 F136 K166 V168 H175 T177 I181 E182 N183L134-Y179 HydrophobicContact CD1-CE1 4.24Å; L134-Y179 HydrophobicContact CD2-CD1 4.24Å; L134-Y179 HydrophobicContact CD2-CE1 3.84Å; F136-Y179 AromaticContact CE1-CD1 3.98Å; F136-Y179 HydrophobicContact CE1-CD1 3.98Å; F136-Y179 HydrophobicContact CE1-CD2 4.43Å; F136-Y179 AromaticContact CE1-CG 3.86Å; F136-Y179 HydrophobicContact CE1-CG 3.86Å; F136-Y179 AromaticContact CZ-CD1 3.44Å; F136-Y179 HydrophobicContact CZ-CD1 3.44Å; F136-Y179 VanDerWaalsContact CZ-CD1 3.44Å; F136-Y179 HydrophobicContact CZ-CE1 4.16Å; F136-Y179 AromaticContact CZ-CG 3.73Å; F136-Y179 HydrophobicContact CZ-CG 3.73Å; K166-Y179 VanDerWaalsContact CE-OH 3.3Å; K166-Y179 WeakPolarHBondContact CE-OH 3.35Å; K166-Y179 PolarHBondContact NZ-OH 2.81Å; V168-Y179 HydrophobicContact CG1-CD2 4.38Å; V168-Y179 HydrophobicContact CG1-CE2 4.39Å; V168-Y179 HydrophobicContact CG2-CE2 4.06Å; H175-Y179 VanDerWaalsContact O-CB 3.23Å; H175-Y179 WeakPolarHBondContact O-CB 3.39Å; H175-Y179 PolarHBondContact O-N 3.3Å; T177-Y179 PolarHBondContact O-N 2.96Å; Y179-I181 VanDerWaalsContact C-N 3.33Å; Y179-E182 PolarHBondContact O-N 3.29Å; Y179-N183 HydrophobicContact CD1-CB 4.28Å; Y179-N183 HydrophobicContact CE1-CB 4.02Å; Y179-N183 WeakPolarHBondContact O-CB 3.32Å; Y179-N183 PolarHBondContact O-N 3Å; Y179-N183 VanDerWaalsContact O-N 3.1Å; Y179-N183 PolarHBondContact O-ND2 3.28Å
180L98Very high95.9Very high0 Ų056.2 Ų56.20%030%0.301CS..Hα-helixtrans-67.1-34.8-178.9-73.8171.1000111.9L134 F136 A176 T177 D178 L185 V191 A203 L207 H210L134-L180 HydrophobicContact CD2-CD2 4.26Å; F136-L180 HydrophobicContact CE2-CD1 4.28Å; F136-L180 HydrophobicContact CE2-CD2 3.84Å; F136-L180 HydrophobicContact CE2-CG 3.91Å; F136-L180 HydrophobicContact CZ-CD2 4.31Å; F136-L180 HydrophobicContact CZ-CG 4.15Å; A176-L180 WeakPolarHBondContact O-CB 3.43Å; A176-L180 WeakPolarHBondContact O-CD1 3.34Å; A176-L180 WeakPolarHBondContact O-CG 3.37Å; A176-L180 PolarHBondContact O-N 3.29Å; A176-L180 VanDerWaalsContact O-N 3.08Å; T177-L180 PolarHBondContact O-N 3.16Å; D178-L180 VanDerWaalsContact C-N 3.33Å; D178-L180 PolarHBondContact O-N 3.26Å; L180-L185 HydrophobicContact CD2-CD1 3.99Å; L180-L185 HydrophobicContact CD2-CD2 3.78Å; L180-V191 HydrophobicContact CD2-CG1 4.33Å; L180-V191 HydrophobicContact CD2-CG2 4Å; L180-A203 HydrophobicContact CD1-CB 4.07Å; L180-A203 VanDerWaalsContact CD1-O 3.23Å; L180-A203 WeakPolarHBondContact CD1-O 3.46Å; L180-L207 HydrophobicContact CD1-CB 4.46Å; L180-H210 PolarHBondContact O-ND1 3.17Å
181I95.9Very high96Very high29 Ų2955.9 Ų55.915%0.14930%0.299CS..Hα-helixtrans-69.8-42.3176-67.1169.3000110.8T177 D178 Y179 L209 L213 F220T177-I181 HydrophobicContact CG2-CD1 3.87Å; T177-I181 WeakPolarHBondContact O-CG1 3.33Å; T177-I181 PolarHBondContact O-N 3.49Å; T177-I181 VanDerWaalsContact O-N 3.08Å; D178-I181 PolarHBondContact O-N 3.01Å; Y179-I181 VanDerWaalsContact C-N 3.33Å; I181-L209 HydrophobicContact CD1-CB 3.83Å; I181-L209 HydrophobicContact CD1-CD1 3.89Å; I181-L209 HydrophobicContact CG1-CB 3.96Å; I181-L213 HydrophobicContact CG2-CD2 3.98Å; I181-F220 HydrophobicContact CD1-CZ 4.5Å
182E95.1Very high96.2Very high155 Ų15550.7 Ų50.772%0.72427%0.267SS*.Hα-helixtrans-82.9-19.7-170.7-69.3175.2177.400114.7D178 Y179D178-E182 WeakPolarHBondContact O-CB 3.36Å; D178-E182 VanDerWaalsContact O-CG 3.28Å; D178-E182 WeakPolarHBondContact O-CG 3.26Å; D178-E182 PolarHBondContact O-N 3.2Å; Y179-E182 PolarHBondContact O-N 3.29Å
183N95.8Very high96.5Very high59 Ų5947.2 Ų47.232%0.31624%0.243SC..SBendtrans-114.6142.1-172.5-66.7-97.1000112.1Y179 H210Y179-N183 HydrophobicContact CD1-CB 4.28Å; Y179-N183 HydrophobicContact CE1-CB 4.02Å; Y179-N183 WeakPolarHBondContact O-CB 3.32Å; Y179-N183 PolarHBondContact O-N 3Å; Y179-N183 VanDerWaalsContact O-N 3.1Å; Y179-N183 PolarHBondContact O-ND2 3.28Å; N183-H210 PolarHBondContact O-CE1 3.48Å
184S95Very high96.9Very high70 Ų7041.2 Ų41.249%0.4922%0.22SC..  trans-65.3139.3168.8165.60000110.8D186S184-D186 VanDerWaalsContact OG-CG 3.22Å; S184-D186 PolarHBondContact OG-N 2.71Å; S184-D186 PolarHBondContact OG-OD2 3.35Å
185L95.9Very high97Very high10 Ų1037.9 Ų37.95%0.05220%0.203CC..  trans-104.53.3178.1-55.4179.8000113L134 L180 S187 Y188 L207 I234L134-L185 HydrophobicContact CD2-CD2 4.17Å; L180-L185 HydrophobicContact CD2-CD1 3.99Å; L180-L185 HydrophobicContact CD2-CD2 3.78Å; L185-S187 PolarHBondContact O-N 2.92Å; L185-Y188 PolarHBondContact O-N 3.36Å; L185-L207 HydrophobicContact CD1-CD1 3.59Å; L185-I234 HydrophobicContact CB-CD1 3.98Å; L185-I234 HydrophobicContact CD1-CD1 4.39Å; L185-I234 HydrophobicContact CD1-CG2 4.36Å
186D94.8Very high96.7Very high132 Ų13235.9 Ų35.971%0.70620%0.195SC*.THydrogen-bonded Turntrans-62.5-20.6-169.6-59.9-41.9000113.7S184S184-D186 VanDerWaalsContact OG-CG 3.22Å; S184-D186 PolarHBondContact OG-N 2.71Å; S184-D186 PolarHBondContact OG-OD2 3.35Å
187S96Very high96.4Very high73 Ų7336.2 Ų36.251%0.5120%0.197SC..THydrogen-bonded Turntrans-90.1-217960.20000114.6N132 L185N132-S187 VanDerWaalsContact CB-O 3.26Å; N132-S187 WeakPolarHBondContact CB-O 3.49Å; L185-S187 PolarHBondContact O-N 2.92Å
188Y98.1Very high96Very high39 Ų3936.2 Ų36.215%0.15320%0.199CC..  trans-115.6139.4-177.5-52.5-75.1000112.2N132 L134 K166 L185 G190N132-Y188 WeakPolarHBondContact O-CA 3.45Å; L134-Y188 HydrophobicContact CB-CD1 3.82Å; L134-Y188 HydrophobicContact CB-CD2 4.12Å; L134-Y188 HydrophobicContact CB-CE1 4.01Å; L134-Y188 HydrophobicContact CB-CE2 4.31Å; L134-Y188 HydrophobicContact CB-CG 3.89Å; L134-Y188 HydrophobicContact CD2-CE2 4.5Å; K166-Y188 HydrophobicContact CB-CE1 3.96Å; K166-Y188 HydrophobicContact CD-CE1 4.39Å; K166-Y188 WeakPolarHBondContact CD-OH 3.22Å; L185-Y188 PolarHBondContact O-N 3.36Å; Y188-G190 VanDerWaalsContact C-N 3.3Å
189D98Very high95.9Very high60 Ų6032.8 Ų32.832%0.32118%0.181SC..SBendtrans-83.6-11.6172.6-56.3-60.8000112.3P130 R131 N132P130-D189 HydrophobicContact CB-CB 3.77Å; R131-D189 WeakPolarHBondContact CA-OD2 3.42Å; R131-D189 PolarHBondContact N-OD2 3.12Å; N132-D189 PolarHBondContact N-OD2 3.44Å; N132-D189 PolarHBondContact O-N 2.95Å
190G98.4Very high95.8Very high0 Ų031.3 Ų31.30%018%0.175CC..EExtended strand (participates in β ladder)trans-173.4154.6-174.700000115.2L134 Y188 R235L134-G190 PolarHBondContact N-O 3.21Å; Y188-G190 VanDerWaalsContact C-N 3.3Å; G190-R235 CarbonylContact C-O 3.38Å; G190-R235 WeakPolarHBondContact CA-O 3.17Å
191V98.6Very high95.7Very high0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-112.4124171.3179.30000109L134 F136 L180 I234 R235 L236 G237L134-V191 HydrophobicContact CB-CG2 4.41Å; L134-V191 HydrophobicContact CD2-CG2 4.34Å; L134-V191 CarbonylContact O-C 3.43Å; L134-V191 VanDerWaalsContact O-CA 3.32Å; L134-V191 WeakPolarHBondContact O-CA 3.44Å; F136-V191 HydrophobicContact CD2-CG1 3.6Å; F136-V191 HydrophobicContact CE2-CG1 3.77Å; L180-V191 HydrophobicContact CD2-CG1 4.33Å; L180-V191 HydrophobicContact CD2-CG2 4Å; V191-I234 HydrophobicContact CG2-CD1 3.65Å; V191-I234 HydrophobicContact CG2-CG1 4.25Å; V191-R235 PolarHBondContact N-O 2.83Å; V191-L236 HydrophobicContact CB-CD2 3.77Å; V191-L236 HydrophobicContact CG1-CD2 4.2Å; V191-L236 CarbonylContact O-C 3.52Å; V191-L236 VanDerWaalsContact O-CA 3.3Å; V191-L236 WeakPolarHBondContact O-CA 3.43Å; V191-G237 PolarHBondContact O-N 3.37Å
192I98.8Very high95.7Very high0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-113123-176.1-48-56.5000109.9L133 L134 V135 F136 G237 I239 I264 F684L133-I192 HydrophobicContact CB-CG1 4.19Å; L133-I192 HydrophobicContact CD1-CD1 4.23Å; L133-I192 HydrophobicContact CD1-CG1 3.91Å; L133-I192 HydrophobicContact CD2-CD1 4.13Å; L133-I192 HydrophobicContact CD2-CG1 4.2Å; L133-I192 HydrophobicContact CG-CG1 4.34Å; L134-I192 PolarHBondContact O-N 2.99Å; V135-I192 CarbonylContact C-O 3.54Å; V135-I192 WeakPolarHBondContact CA-O 3.48Å; V135-I192 HydrophobicContact CG1-CB 4.45Å; V135-I192 HydrophobicContact CG2-CB 4.23Å; V135-I192 HydrophobicContact CG2-CG1 4.45Å; F136-I192 PolarHBondContact N-O 3.39Å; I192-G237 CarbonylContact C-O 3.54Å; I192-G237 WeakPolarHBondContact CA-O 3.41Å; I192-I239 HydrophobicContact CG2-CG1 3.91Å; I192-I264 HydrophobicContact CD1-CD1 3.99Å; I192-I264 HydrophobicContact CD1-CG1 4.16Å; I192-I264 HydrophobicContact CD1-CG2 3.8Å; I192-I264 HydrophobicContact CG2-CD1 3.95Å; I192-F684 HydrophobicContact CD1-CD2 3.74Å; I192-F684 HydrophobicContact CD1-CE2 3.77Å
193C98.3Very high95.8Very high1 Ų123.6 Ų23.61%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-98.6118.9175.6-61.20000110.5F199 L200 A203 G237 V238 I239C193-F199 HydrophobicContact CB-CD1 4.18Å; C193-F199 HydrophobicContact CB-CE1 4.26Å; C193-L200 HydrophobicContact CB-CD1 4.01Å; C193-A203 WeakPolarHBondContact SG-CB 3.32Å; C193-G237 PolarHBondContact N-O 3.15Å; C193-V238 WeakPolarHBondContact O-CA 3.3Å; C193-I239 PolarHBondContact O-N 3.05Å
194V98.1Very high95.9Very high0 Ų020.8 Ų20.80%012%0.123CC..EExtended strand (participates in β ladder)trans-98.698.8169.5-169.10000108.6V135 F136 I137 N138 A146 Y150 I239 A241V135-V194 HydrophobicContact CG1-CG2 3.83Å; F136-V194 PolarHBondContact O-N 3.19Å; I137-V194 HydrophobicContact CG1-CB 4.16Å; I137-V194 HydrophobicContact CG1-CG2 4.1Å; I137-V194 HydrophobicContact CG2-CB 4.45Å; N138-V194 PolarHBondContact N-O 3.32Å; A146-V194 HydrophobicContact CB-CG1 4.11Å; Y150-V194 HydrophobicContact CD2-CG2 3.88Å; Y150-V194 HydrophobicContact CG-CG2 4.39Å; V194-I239 HydrophobicContact CB-CB 4.3Å; V194-I239 HydrophobicContact CG1-CB 4.1Å; V194-I239 HydrophobicContact CG1-CG2 3.97Å; V194-I239 HydrophobicContact CG2-CB 4.03Å; V194-I239 HydrophobicContact CG2-CG1 4.17Å; V194-A241 HydrophobicContact CG1-CB 4.43Å
195G94.6Very high96Very high1 Ų118.7 Ų18.71%0.0111%0.106CC..EExtended strand (participates in β ladder)trans173.4-160.5-172.400000113.1S141 I239 A241 G242S141-G195 WeakPolarHBondContact OG-CA 3.42Å; G195-I239 PolarHBondContact N-O 3.31Å; G195-A241 PolarHBondContact O-N 2.86Å; G195-G242 PolarHBondContact O-N 2.89Å
196G90.6Very high96.1Very high6 Ų618.2 Ų18.26%0.06210%0.103CC..  trans-99.9177.1174.600000113.5G198 F199 L200 G242G196-G198 VanDerWaalsContact C-N 3.31Å; G196-G198 PolarHBondContact O-N 3.29Å; G196-F199 WeakPolarHBondContact O-CB 3.27Å; G196-F199 PolarHBondContact O-N 2.75Å; G196-L200 PolarHBondContact O-N 3.02Å; G196-L200 VanDerWaalsContact O-N 3.09Å; G196-G242 VanDerWaalsContact CA-CA 3.49Å
197D91.5Very high96.2Very high6 Ų612 Ų123%0.0327%0.07CC..Hα-helixtrans-55.6-38.8-173.7-54.8-62.2000113.9F199 L200 T201 D245 A246 V247 I440D197-F199 VanDerWaalsContact C-N 3.34Å; D197-F199 PolarHBondContact O-N 2.7Å; D197-L200 PolarHBondContact O-N 3.29Å; D197-T201 WeakPolarHBondContact O-CB 3.09Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 3.23Å; D197-D245 WeakPolarHBondContact OD2-CA 3.42Å; D197-D245 PolarHBondContact OD2-N 3.25Å; D197-A246 PolarHBondContact OD1-N 2.9Å; D197-A246 PolarHBondContact OD2-N 3Å; D197-V247 PolarHBondContact OD1-N 3.21Å; D197-I440 HydrophobicContact CB-CG2 4.31Å
198G89.8Confident96.3Very high11 Ų118.5 Ų8.511%0.1135%0.046CC..Hα-helixtrans-64.5-36.8177.100000113.2G196 T201 E202G196-G198 VanDerWaalsContact C-N 3.31Å; G196-G198 PolarHBondContact O-N 3.29Å; G198-T201 PolarHBondContact O-N 2.99Å; G198-E202 PolarHBondContact O-N 3.19Å
199F93.9Very high96.2Very high6 Ų66.8 Ų6.83%0.0264%0.039CC..Hα-helixtrans-73.2-35.5176.5180-123.5000112.2F136 N138 T170 A176 C193 G196 D197 T201 E202 A203F136-F199 HydrophobicContact CB-CE1 3.99Å; F136-F199 HydrophobicContact CB-CZ 3.71Å; N138-F199 HydrophobicContact CB-CB 4.48Å; N138-F199 HydrophobicContact CB-CD1 3.73Å; N138-F199 HydrophobicContact CB-CD2 3.85Å; N138-F199 HydrophobicContact CB-CE1 3.72Å; N138-F199 HydrophobicContact CB-CE2 3.86Å; N138-F199 HydrophobicContact CB-CG 3.75Å; N138-F199 HydrophobicContact CB-CZ 3.75Å; T170-F199 HydrophobicContact CG2-CE2 3.71Å; T170-F199 HydrophobicContact CG2-CZ 3.7Å; A176-F199 HydrophobicContact CB-CE2 3.9Å; A176-F199 HydrophobicContact CB-CZ 4.4Å; C193-F199 HydrophobicContact CB-CD1 4.18Å; C193-F199 HydrophobicContact CB-CE1 4.26Å; G196-F199 WeakPolarHBondContact O-CB 3.27Å; G196-F199 PolarHBondContact O-N 2.75Å; D197-F199 VanDerWaalsContact C-N 3.34Å; D197-F199 PolarHBondContact O-N 2.7Å; F199-T201 VanDerWaalsContact C-N 3.31Å; F199-E202 WeakPolarHBondContact O-CB 3.36Å; F199-E202 PolarHBondContact O-N 3.04Å; F199-A203 PolarHBondContact O-N 2.88Å
200L96.2Very high96.2Very high0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-63-42.5170.5176.764.1000110.9C193 G196 D197 E202 A203 V204 L236 V238 V247 L290 F683C193-L200 HydrophobicContact CB-CD1 4.01Å; G196-L200 PolarHBondContact O-N 3.02Å; G196-L200 VanDerWaalsContact O-N 3.09Å; D197-L200 PolarHBondContact O-N 3.29Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 3.21Å; L200-A203 WeakPolarHBondContact O-CB 3.37Å; L200-A203 PolarHBondContact O-N 3.39Å; L200-A203 VanDerWaalsContact O-N 3.12Å; L200-V204 WeakPolarHBondContact O-CG2 3.34Å; L200-V204 PolarHBondContact O-N 2.8Å; L200-L236 HydrophobicContact CD1-CD1 4.4Å; L200-V238 HydrophobicContact CD1-CB 4.36Å; L200-V238 HydrophobicContact CD2-CB 3.99Å; L200-V238 HydrophobicContact CD2-CG1 4.44Å; L200-V238 HydrophobicContact CD2-CG2 4.07Å; L200-V247 HydrophobicContact CD2-CB 3.77Å; L200-V247 HydrophobicContact CD2-CG1 3.59Å; L200-V247 HydrophobicContact CD2-CG2 3.93Å; L200-L290 HydrophobicContact CD2-CD2 3.91Å; L200-L290 HydrophobicContact CG-CD2 4.19Å; L200-F683 HydrophobicContact CD1-CE1 3.81Å; L200-F683 HydrophobicContact CD1-CZ 3.86Å; L200-F683 HydrophobicContact CD2-CE1 3.8Å; L200-F683 HydrophobicContact CD2-CZ 3.95Å; L200-F683 HydrophobicContact CG-CE1 4.3Å; L200-F683 HydrophobicContact CG-CZ 4.18Å
201T95.7Very high96Very high1 Ų15.3 Ų5.31%0.0063%0.03CC..Hα-helixtrans-62-40.7177.8-54.20000111.1D197 G198 F199 A203 V204 Q205 D663D197-T201 WeakPolarHBondContact O-CB 3.09Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 3.23Å; G198-T201 PolarHBondContact O-N 2.99Å; F199-T201 VanDerWaalsContact C-N 3.31Å; T201-A203 VanDerWaalsContact C-N 3.33Å; T201-A203 PolarHBondContact O-N 3.38Å; T201-V204 WeakPolarHBondContact O-CB 3.08Å; T201-V204 PolarHBondContact O-N 3.19Å; T201-V204 VanDerWaalsContact O-N 3.1Å; T201-Q205 WeakPolarHBondContact O-CG 3.27Å; T201-Q205 PolarHBondContact O-N 3.38Å; T201-D663 HydrophobicContact CG2-CB 3.96Å; T201-D663 WeakPolarHBondContact CG2-OD2 3.06Å
202E95.8Very high95.9Very high20 Ų205.3 Ų5.39%0.0933%0.03CC..Hα-helixtrans-53.8-47.5170.8-174.2-174.1138.100111.6D174 H175 A176 T177 G198 F199 L200 V204 Q205 G206D174-E202 VanDerWaalsContact CA-CD 3.5Å; D174-E202 VanDerWaalsContact CA-OE1 3.24Å; D174-E202 WeakPolarHBondContact CA-OE1 3.24Å; D174-E202 VanDerWaalsContact N-CD 3.31Å; D174-E202 PolarHBondContact N-OE1 3.4Å; D174-E202 PolarHBondContact N-OE2 3.21Å; H175-E202 PolarHBondContact N-OE1 3.26Å; H175-E202 VanDerWaalsContact N-OE1 3.16Å; A176-E202 HydrophobicContact CB-CG 4.29Å; A176-E202 WeakPolarHBondContact CB-OE1 3.5Å; A176-E202 PolarHBondContact N-OE1 3.46Å; T177-E202 WeakPolarHBondContact OG1-CG 3.29Å; T177-E202 PolarHBondContact OG1-O 3.3Å; T177-E202 VanDerWaalsContact OG1-O 3.05Å; G198-E202 PolarHBondContact O-N 3.19Å; F199-E202 WeakPolarHBondContact O-CB 3.36Å; F199-E202 PolarHBondContact O-N 3.04Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 3.21Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-V204 PolarHBondContact O-N 3.39Å; E202-Q205 VanDerWaalsContact O-CB 3.32Å; E202-Q205 WeakPolarHBondContact O-CB 3.13Å; E202-Q205 PolarHBondContact O-N 2.85Å; E202-G206 PolarHBondContact O-N 2.62Å; E202-G206 VanDerWaalsContact O-N 3.07Å
203A97.6Very high95.7Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-65.5-33.9176.100000113.5L180 C193 F199 L200 T201 Q205 G206 L207L180-A203 HydrophobicContact CD1-CB 4.07Å; L180-A203 VanDerWaalsContact CD1-O 3.23Å; L180-A203 WeakPolarHBondContact CD1-O 3.46Å; C193-A203 WeakPolarHBondContact SG-CB 3.32Å; F199-A203 PolarHBondContact O-N 2.88Å; L200-A203 WeakPolarHBondContact O-CB 3.37Å; L200-A203 PolarHBondContact O-N 3.39Å; L200-A203 VanDerWaalsContact O-N 3.12Å; T201-A203 VanDerWaalsContact C-N 3.33Å; T201-A203 PolarHBondContact O-N 3.38Å; A203-Q205 VanDerWaalsContact C-N 3.35Å; A203-G206 PolarHBondContact O-N 3.32Å; A203-L207 WeakPolarHBondContact O-CB 3.31Å; A203-L207 PolarHBondContact O-N 3.39Å
204V98Very high95.5Very high1 Ų114 Ų141%0.0067%0.071CC..Hα-helixtrans-62.1-43.3172.1174.10000110.7L200 T201 E202 L207 L208 L236 L290 I681L200-V204 WeakPolarHBondContact O-CG2 3.34Å; L200-V204 PolarHBondContact O-N 2.8Å; T201-V204 WeakPolarHBondContact O-CB 3.08Å; T201-V204 PolarHBondContact O-N 3.19Å; T201-V204 VanDerWaalsContact O-N 3.1Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-V204 PolarHBondContact O-N 3.39Å; V204-L207 PolarHBondContact O-N 2.89Å; V204-L208 HydrophobicContact CG1-CD1 3.78Å; V204-L208 HydrophobicContact CG1-CG 4.36Å; V204-L208 WeakPolarHBondContact O-CG 3.31Å; V204-L208 PolarHBondContact O-N 3.23Å; V204-L236 HydrophobicContact CB-CD1 4.48Å; V204-L236 HydrophobicContact CG2-CD1 3.51Å; V204-L290 HydrophobicContact CG2-CD2 4.16Å; V204-I681 HydrophobicContact CB-CD1 4.31Å; V204-I681 HydrophobicContact CG1-CD1 3.89Å; V204-I681 HydrophobicContact CG2-CD1 3.96Å
205Q97.4Very high95.3Very high26 Ų2617.5 Ų17.512%0.1219%0.086CC..Hα-helixtrans-55.7-53.8174.8-63.9-61104.400110.5T177 T201 E202 A203 L207 L208 L209 Y288T177-Q205 HydrophobicContact CG2-CB 4.22Å; T201-Q205 WeakPolarHBondContact O-CG 3.27Å; T201-Q205 PolarHBondContact O-N 3.38Å; E202-Q205 VanDerWaalsContact O-CB 3.32Å; E202-Q205 WeakPolarHBondContact O-CB 3.13Å; E202-Q205 PolarHBondContact O-N 2.85Å; A203-Q205 VanDerWaalsContact C-N 3.35Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.28Å; Q205-L208 PolarHBondContact O-N 3.07Å; Q205-L209 WeakPolarHBondContact O-CB 3.42Å; Q205-L209 WeakPolarHBondContact O-CG 3.41Å; Q205-L209 PolarHBondContact O-N 3.44Å; Q205-Y288 VanDerWaalsContact OE1-CA 3.22Å; Q205-Y288 VanDerWaalsContact OE1-CD2 3.28Å; Q205-Y288 PolarHBondContact OE1-O 3.15Å
206G97.5Very high95.3Very high0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-57.9-44.1-179.600000112.7E202 A203 H210E202-G206 PolarHBondContact O-N 2.62Å; E202-G206 VanDerWaalsContact O-N 3.07Å; A203-G206 PolarHBondContact O-N 3.32Å; G206-H210 VanDerWaalsContact O-CB 3.26Å; G206-H210 WeakPolarHBondContact O-CB 3.4Å; G206-H210 PolarHBondContact O-N 2.6Å
207L97.7Very high95.5Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-69.1-42-176.5-175.960000113.2L180 L185 A203 V204 Q205 H210 E211 P232 I234 L236 I681L180-L207 HydrophobicContact CD1-CB 4.46Å; L185-L207 HydrophobicContact CD1-CD1 3.59Å; A203-L207 WeakPolarHBondContact O-CB 3.31Å; A203-L207 PolarHBondContact O-N 3.39Å; V204-L207 PolarHBondContact O-N 2.89Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.28Å; L207-H210 WeakPolarHBondContact O-CB 3.39Å; L207-H210 PolarHBondContact O-N 3.28Å; L207-E211 PolarHBondContact O-N 3.13Å; L207-E211 VanDerWaalsContact O-N 3.16Å; L207-P232 HydrophobicContact CD1-CB 3.99Å; L207-P232 HydrophobicContact CD1-CG 4.39Å; L207-P232 HydrophobicContact CD2-CB 3.75Å; L207-P232 HydrophobicContact CD2-CG 3.84Å; L207-P232 HydrophobicContact CG-CB 3.74Å; L207-P232 HydrophobicContact CG-CG 3.66Å; L207-I234 HydrophobicContact CD1-CG2 3.27Å; L207-I234 HydrophobicContact CD2-CG2 3.59Å; L207-I234 HydrophobicContact CG-CG2 4.05Å; L207-L236 HydrophobicContact CD2-CD1 4.43Å; L207-L236 HydrophobicContact CD2-CD2 3.78Å; L207-L236 HydrophobicContact CD2-CG 3.92Å; L207-I681 HydrophobicContact CD2-CD1 4.17Å; L207-I681 HydrophobicContact CD2-CG1 4.5Å
208L97.7Very high95.6Very high1 Ų129.4 Ų29.41%0.00515%0.152CC..Hα-helixtrans-71.5-37.3178.3-66.8174.8000111.7V204 Q205 H210 E211 R212 P232 V274 Y288 L680V204-L208 HydrophobicContact CG1-CD1 3.78Å; V204-L208 HydrophobicContact CG1-CG 4.36Å; V204-L208 WeakPolarHBondContact O-CG 3.31Å; V204-L208 PolarHBondContact O-N 3.23Å; Q205-L208 PolarHBondContact O-N 3.07Å; L208-H210 VanDerWaalsContact C-N 3.34Å; L208-E211 PolarHBondContact O-N 3.14Å; L208-R212 WeakPolarHBondContact O-CG 3.42Å; L208-R212 PolarHBondContact O-N 3.04Å; L208-R212 VanDerWaalsContact O-N 3.1Å; L208-P232 HydrophobicContact CD2-CG 3.83Å; L208-V274 HydrophobicContact CD1-CG1 3.92Å; L208-Y288 HydrophobicContact CB-CD2 3.98Å; L208-Y288 HydrophobicContact CB-CE1 4.31Å; L208-Y288 HydrophobicContact CB-CE2 3.45Å; L208-Y288 VanDerWaalsContact CB-CE2 3.45Å; L208-Y288 HydrophobicContact CD1-CD1 3.67Å; L208-Y288 HydrophobicContact CD1-CD2 3.73Å; L208-Y288 HydrophobicContact CD1-CE1 3.86Å; L208-Y288 HydrophobicContact CD1-CE2 3.95Å; L208-Y288 HydrophobicContact CD1-CG 3.6Å; L208-Y288 HydrophobicContact CG-CD2 4.48Å; L208-Y288 HydrophobicContact CG-CE2 4.35Å; L208-L680 HydrophobicContact CD1-CD2 3.91Å; L208-L680 HydrophobicContact CD2-CD1 4.43Å; L208-L680 HydrophobicContact CD2-CD2 3.77Å; L208-L680 HydrophobicContact CD2-CG 3.84Å
209L96.9Very high95.8Very high3 Ų330.7 Ų30.72%0.01616%0.155CC..Hα-helixtrans-67.1-35.5173.5-67.2172.7000112T177 I181 Q205 R212 L213 L219 F220 F285 Y288T177-L209 HydrophobicContact CG2-CD1 4.39Å; I181-L209 HydrophobicContact CD1-CB 3.83Å; I181-L209 HydrophobicContact CD1-CD1 3.89Å; I181-L209 HydrophobicContact CG1-CB 3.96Å; Q205-L209 WeakPolarHBondContact O-CB 3.42Å; Q205-L209 WeakPolarHBondContact O-CG 3.41Å; Q205-L209 PolarHBondContact O-N 3.44Å; L209-R212 PolarHBondContact O-N 3.28Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 PolarHBondContact O-N 3.12Å; L209-L219 HydrophobicContact CB-CD2 4.47Å; L209-L219 HydrophobicContact CD2-CD2 4.07Å; L209-F220 HydrophobicContact CD1-CE1 3.89Å; L209-F220 HydrophobicContact CD1-CZ 4.22Å; L209-F285 HydrophobicContact CD2-CE1 4.47Å; L209-Y288 HydrophobicContact CD2-CE2 4.32Å; L209-Y288 HydrophobicContact CG-CE2 4.31Å
210H96.7Very high95.8Very high21 Ų2135.9 Ų35.910%0.09718%0.178CC..Hα-helixtrans-58.5-48.4172176.698.5000111.7L180 N183 G206 L207 L208 R212 L213 K214L180-H210 PolarHBondContact O-ND1 3.17Å; N183-H210 PolarHBondContact O-CE1 3.48Å; G206-H210 VanDerWaalsContact O-CB 3.26Å; G206-H210 WeakPolarHBondContact O-CB 3.4Å; G206-H210 PolarHBondContact O-N 2.6Å; L207-H210 WeakPolarHBondContact O-CB 3.39Å; L207-H210 PolarHBondContact O-N 3.28Å; L208-H210 VanDerWaalsContact C-N 3.34Å; H210-R212 PolarHBondContact O-N 3.12Å; H210-L213 PolarHBondContact O-N 3.28Å; H210-K214 WeakPolarHBondContact O-CB 3.43Å; H210-K214 PolarHBondContact O-N 2.7Å
211E95.7Very high95.4Very high7 Ų739.8 Ų39.83%0.03321%0.206CC..Hα-helixtrans-63.6-41.3178-72.4-63.715300111.8L207 L208 L213 K214 F215 L230 P232L207-E211 PolarHBondContact O-N 3.13Å; L207-E211 VanDerWaalsContact O-N 3.16Å; L208-E211 PolarHBondContact O-N 3.14Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 2.93Å; E211-K214 WeakPolarHBondContact O-CB 3.49Å; E211-K214 PolarHBondContact O-N 3.5Å; E211-F215 WeakPolarHBondContact O-CD2 3.28Å; E211-F215 PolarHBondContact O-N 3Å; E211-L230 HydrophobicContact CB-CB 4.23Å; E211-P232 HydrophobicContact CG-CB 3.75Å; E211-P232 HydrophobicContact CG-CG 3.76Å
212R95.3Very high95.2Very high1 Ų141 Ų410%0.00422%0.218CC..Hα-helixtrans-57.8-46.4173.7-70.9-174.871.686.30.6111.7L208 L209 H210 K214 F215 N216 L217 P218 L219 H223 E227 I228 E229 Y288L208-R212 WeakPolarHBondContact O-CG 3.42Å; L208-R212 PolarHBondContact O-N 3.04Å; L208-R212 VanDerWaalsContact O-N 3.1Å; L209-R212 PolarHBondContact O-N 3.28Å; H210-R212 PolarHBondContact O-N 3.12Å; R212-K214 PolarHBondContact O-N 3.38Å; R212-F215 CarbonylContact O-C 3.51Å; R212-F215 PolarHBondContact O-N 2.73Å; R212-N216 PolarHBondContact O-N 3.36Å; R212-L217 HydrophobicContact CB-CB 4.02Å; R212-L217 HydrophobicContact CG-CB 4.39Å; R212-L217 HydrophobicContact CG-CD1 4.42Å; R212-L217 WeakPolarHBondContact O-CB 3.46Å; R212-L217 PolarHBondContact O-N 2.9Å; R212-P218 PolarHBondContact NE-O 3.23Å; R212-P218 PolarHBondContact NH2-O 3.39Å; R212-L219 HydrophobicContact CB-CD2 3.57Å; R212-H223 VanDerWaalsContact CZ-CD2 3.47Å; R212-H223 PolarHBondContact NH2-CD2 3.19Å; R212-E227 IonicContact CZ-OE2 2.73Å; R212-E227 IonicContact NH2-OE2 2.99Å; R212-E227 PolarHBondContact NH2-OE2 3.26Å; R212-I228 PolarHBondContact NH1-O 2.8Å; R212-E229 IonicContact NH1-OE1 3.57Å; R212-E229 IonicContact NH1-OE2 3.43Å; R212-E229 PolarHBondContact NH1-OE2 3.42Å; R212-E229 VanDerWaalsContact NH1-OE2 3.09Å; R212-Y288 VanDerWaalsContact CD-OH 3.32Å; R212-Y288 WeakPolarHBondContact CD-OH 3.49Å
213L94.9Very high95.1Very high81 Ų8140.1 Ų40.142%0.42421%0.214SC..Hα-helixtrans-60.9-45.5178.2-17862.3000111.8I181 L209 H210 E211 F215 N216 L219I181-L213 HydrophobicContact CG2-CD2 3.98Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 PolarHBondContact O-N 3.12Å; H210-L213 PolarHBondContact O-N 3.28Å; E211-L213 VanDerWaalsContact C-N 3.32Å; E211-L213 PolarHBondContact O-N 2.93Å; L213-F215 PolarHBondContact O-N 3.24Å; L213-F215 VanDerWaalsContact O-N 3.16Å; L213-N216 PolarHBondContact O-N 2.82Å; L213-L219 HydrophobicContact CB-CD1 4.32Å; L213-L219 HydrophobicContact CD1-CD1 4.25Å
214K94.1Very high94.9Very high102 Ų10244.1 Ų44.144%0.44323%0.232SC..Hα-helixtrans-55.6-31.7178.4-178.4176.2179.21720113.1H210 E211 R212H210-K214 WeakPolarHBondContact O-CB 3.43Å; H210-K214 PolarHBondContact O-N 2.7Å; E211-K214 WeakPolarHBondContact O-CB 3.49Å; E211-K214 PolarHBondContact O-N 3.5Å; R212-K214 PolarHBondContact O-N 3.38Å
215F93.4Very high94.6Very high73 Ų7344.8 Ų44.832%0.3224%0.236SC..THydrogen-bonded Turntrans-103.417.1179-72.7-89.5000114E211 R212 L213 L217 L230 L491E211-F215 WeakPolarHBondContact O-CD2 3.28Å; E211-F215 PolarHBondContact O-N 3Å; R212-F215 CarbonylContact O-C 3.51Å; R212-F215 PolarHBondContact O-N 2.73Å; L213-F215 PolarHBondContact O-N 3.24Å; L213-F215 VanDerWaalsContact O-N 3.16Å; F215-L217 HydrophobicContact CB-CG 4.39Å; F215-L217 PolarHBondContact O-N 2.73Å; F215-L230 HydrophobicContact CB-CD1 3.43Å; F215-L230 VanDerWaalsContact CB-CD1 3.43Å; F215-L230 HydrophobicContact CD1-CD1 4.26Å; F215-L230 HydrophobicContact CD2-CD1 3.29Å; F215-L230 HydrophobicContact CE2-CD1 4.03Å; F215-L230 HydrophobicContact CG-CD1 3.4Å; F215-L491 HydrophobicContact CD1-CD2 3.82Å; F215-L491 HydrophobicContact CE1-CD2 3.4Å; F215-L491 HydrophobicContact CZ-CD2 4.2Å
216N95.1Very high93.9Very high153 Ų15344.2 Ų44.282%0.81824%0.237SC*.THydrogen-bonded Turntrans55.829.5-179.5-57.4-61.9000114R212 L213R212-N216 PolarHBondContact O-N 3.36Å; L213-N216 PolarHBondContact O-N 2.82Å
217L95Very high93.4Very high51 Ų5146.9 Ų46.927%0.26725%0.25SC..PPolyproline II helixtrans-81.7147.4173.6-64.1179.5000110.7R212 F215 L230R212-L217 HydrophobicContact CB-CB 4.02Å; R212-L217 HydrophobicContact CG-CB 4.39Å; R212-L217 HydrophobicContact CG-CD1 4.42Å; R212-L217 WeakPolarHBondContact O-CB 3.46Å; R212-L217 PolarHBondContact O-N 2.9Å; F215-L217 HydrophobicContact CB-CG 4.39Å; F215-L217 PolarHBondContact O-N 2.73Å; L217-L230 HydrophobicContact CD1-CD1 3.62Å; L217-L230 HydrophobicContact CD1-CG 3.97Å; L217-L230 HydrophobicContact CG-CD1 4.5Å
218P93.9Very high92.9Very high60 Ų6050.6 Ų50.639%0.3927%0.269SS..PPolyproline II helixtrans-59.7140179-24.134.3000112.8R212 G222R212-P218 PolarHBondContact NE-O 3.23Å; R212-P218 PolarHBondContact NH2-O 3.39Å; P218-G222 WeakPolarHBondContact CB-O 3.31Å
219L94.1Very high92.6Very high37 Ų3750.8 Ų50.819%0.19427%0.269CS..PPolyproline II helixtrans-103.2161.6174.4-55.2-176.7000111.3L209 R212 L213 S221 G222L209-L219 HydrophobicContact CB-CD2 4.47Å; L209-L219 HydrophobicContact CD2-CD2 4.07Å; R212-L219 HydrophobicContact CB-CD2 3.57Å; L213-L219 HydrophobicContact CB-CD1 4.32Å; L213-L219 HydrophobicContact CD1-CD1 4.25Å; L219-S221 PolarHBondContact O-N 2.86Å; L219-G222 PolarHBondContact O-N 3.5Å
220F92.1Very high92.4Very high115 Ų11551 Ų5150%0.50427%0.271SS..G310 helixtrans49.3-120.3171.1-49.4-70.8000112.7I181 L209 G222 H223 F285I181-F220 HydrophobicContact CD1-CZ 4.5Å; L209-F220 HydrophobicContact CD1-CE1 3.89Å; L209-F220 HydrophobicContact CD1-CZ 4.22Å; F220-G222 PolarHBondContact O-N 3.27Å; F220-G222 VanDerWaalsContact O-N 3.11Å; F220-H223 WeakPolarHBondContact O-CB 3.26Å; F220-H223 PolarHBondContact O-N 2.86Å; F220-F285 WeakPolarHBondContact O-CB 3.39Å
221S89.7Confident92.2Very high82 Ų8252.4 Ų52.457%0.57328%0.277SS*.G310 helixtrans-60.8-22.5-179.156.20000114.5L219 K224L219-S221 PolarHBondContact O-N 2.86Å; S221-K224 PolarHBondContact O-NZ 2.96Å
222G91.1Very high92.1Very high27 Ų2752.1 Ų52.128%0.27828%0.275SS..G310 helixtrans-76.6-25.7174.700000113.6P218 L219 F220 K224P218-G222 WeakPolarHBondContact CB-O 3.31Å; L219-G222 PolarHBondContact O-N 3.5Å; F220-G222 PolarHBondContact O-N 3.27Å; F220-G222 VanDerWaalsContact O-N 3.11Å; G222-K224 PolarHBondContact O-N 3.48Å
223H93.8Very high91.9Very high1 Ų155.5 Ų55.51%0.00530%0.296CS..  trans-72.5120.2178.3177.3-162.9000109.9R212 F220 E227 E229 H278 F285R212-H223 VanDerWaalsContact CZ-CD2 3.47Å; R212-H223 PolarHBondContact NH2-CD2 3.19Å; F220-H223 WeakPolarHBondContact O-CB 3.26Å; F220-H223 PolarHBondContact O-N 2.86Å; H223-E227 IonicContact CD2-OE2 3.93Å; H223-E227 PolarHBondContact CD2-OE2 2.92Å; H223-E229 IonicContact CE1-OE1 3.46Å; H223-E229 PolarHBondContact CE1-OE1 2.92Å; H223-E229 IonicContact ND1-OE1 2.67Å; H223-E229 IonicContact NE2-OE1 3.94Å; H223-E229 PolarHBondContact NE2-OE1 3.22Å; H223-H278 AromaticContact CD2-NE2 3.77Å; H223-H278 AromaticContact CE1-NE2 3.87Å; H223-H278 AromaticContact NE2-CE1 3.9Å; H223-H278 AromaticContact NE2-NE2 3.66Å; H223-F285 HydrophobicContact CB-CB 3.82Å; H223-F285 HydrophobicContact CB-CG 4.2Å; H223-F285 AromaticContact CE1-CD2 3.37Å; H223-F285 WeakPolarHBondContact CE1-CD2 3.38Å; H223-F285 AromaticContact CE1-CE2 3.52Å; H223-F285 AromaticContact CG-CG 3.99Å; H223-F285 AromaticContact ND1-CD1 3.9Å; H223-F285 AromaticContact ND1-CD2 3.05Å; H223-F285 WeakPolarHBondContact ND1-CD2 3.41Å; H223-F285 AromaticContact ND1-CE2 3.44Å; H223-F285 WeakPolarHBondContact ND1-CE2 3.5Å; H223-F285 AromaticContact ND1-CG 3.29Å; H223-F285 VanDerWaalsContact ND1-CG 3.29Å; H223-F285 WeakPolarHBondContact ND1-CG 3.31Å
224K93Very high91.9Very high84 Ų8452.1 Ų52.137%0.36528%0.278SS..  trans-107.2155.5-174.8-57.9-51.6-175.1-169.50113.6S221 G222 E227 H278S221-K224 PolarHBondContact O-NZ 2.96Å; G222-K224 PolarHBondContact O-N 3.48Å; K224-E227 HydrophobicContact CB-CG 4.11Å; K224-E227 WeakPolarHBondContact CB-OE1 3.4Å; K224-E227 PolarHBondContact N-OE2 3.23Å; K224-E227 WeakPolarHBondContact O-CB 3.46Å; K224-E227 WeakPolarHBondContact O-CG 3.45Å; K224-E227 PolarHBondContact O-N 3.16Å; K224-H278 VanDerWaalsContact C-NE2 3.35Å; K224-H278 PolarHBondContact O-NE2 2.94Å
225P91.8Very high92.1Very high15 Ų1548.3 Ų48.310%0.09726%0.261CS..THydrogen-bonded Turntrans-64.1142179.5-12.425.9000111.9E227 H278 G283 L371 I673 F675P225-E227 PolarHBondContact O-N 3.36Å; P225-H278 HydrophobicContact CB-CB 4.27Å; P225-H278 HydrophobicContact CG-CB 3.69Å; P225-G283 WeakPolarHBondContact CD-O 3.15Å; P225-L371 HydrophobicContact CB-CD2 4.36Å; P225-I673 HydrophobicContact CB-CG2 4.05Å; P225-I673 HydrophobicContact CG-CG2 4.11Å; P225-F675 HydrophobicContact CB-CD2 4.44Å; P225-F675 HydrophobicContact CB-CE2 3.75Å
226G83.3Confident92.3Very high14 Ų1444.9 Ų44.914%0.14425%0.246CC..THydrogen-bonded Turntrans75.73.6-179.200000114.5
227E86.2Confident92.4Very high57 Ų5737.6 Ų37.627%0.26621%0.207SC..  trans-68.4153.1170.1-72.4-177.5175.900111.4R212 H223 K224 P225R212-E227 IonicContact CZ-OE2 2.73Å; R212-E227 IonicContact NH2-OE2 2.99Å; R212-E227 PolarHBondContact NH2-OE2 3.26Å; H223-E227 IonicContact CD2-OE2 3.93Å; H223-E227 PolarHBondContact CD2-OE2 2.92Å; K224-E227 HydrophobicContact CB-CG 4.11Å; K224-E227 WeakPolarHBondContact CB-OE1 3.4Å; K224-E227 PolarHBondContact N-OE2 3.23Å; K224-E227 WeakPolarHBondContact O-CB 3.46Å; K224-E227 WeakPolarHBondContact O-CG 3.45Å; K224-E227 PolarHBondContact O-N 3.16Å; P225-E227 PolarHBondContact O-N 3.36Å
228I87Confident92.6Very high77 Ų7735.2 Ų35.240%0.39520%0.195SC..  trans-68.3140.8175.2-168.5162.5000111R212 L496R212-I228 PolarHBondContact NH1-O 2.8Å; I228-L496 HydrophobicContact CD1-CD2 3.53Å
229E91.9Very high92.8Very high5 Ų532.4 Ų32.42%0.02318%0.176CC..  trans-105.2146.8168.4-62.9-63.2-17900111.9R212 H223 T276 Y288 H677 L680R212-E229 IonicContact NH1-OE1 3.57Å; R212-E229 IonicContact NH1-OE2 3.43Å; R212-E229 PolarHBondContact NH1-OE2 3.42Å; R212-E229 VanDerWaalsContact NH1-OE2 3.09Å; H223-E229 IonicContact CE1-OE1 3.46Å; H223-E229 PolarHBondContact CE1-OE1 2.92Å; H223-E229 IonicContact ND1-OE1 2.67Å; H223-E229 IonicContact NE2-OE1 3.94Å; H223-E229 PolarHBondContact NE2-OE1 3.22Å; E229-T276 HydrophobicContact CG-CG2 4.18Å; E229-T276 VanDerWaalsContact OE1-CG2 3.29Å; E229-T276 WeakPolarHBondContact OE1-CG2 3.26Å; E229-Y288 HydrophobicContact CG-CE1 4.33Å; E229-Y288 VanDerWaalsContact OE1-CE1 3.32Å; E229-Y288 WeakPolarHBondContact OE1-CE1 3.35Å; E229-Y288 PolarHBondContact OE1-OH 2.75Å; E229-Y288 PolarHBondContact OE2-OH 3.23Å; E229-H677 WeakPolarHBondContact CG-CE1 3.48Å; E229-L680 HydrophobicContact CB-CD1 3.6Å; E229-L680 HydrophobicContact CB-CD2 3.71Å; E229-L680 HydrophobicContact CB-CG 4.34Å; E229-L680 HydrophobicContact CG-CD2 4.1Å
230L92.3Very high92.9Very high9 Ų930.8 Ų30.85%0.04717%0.168CC..BIsolated β-bridgetrans-101131-177.8-60.5177.6000109.9E211 F215 L217 P232 L496E211-L230 HydrophobicContact CB-CB 4.23Å; F215-L230 HydrophobicContact CB-CD1 3.43Å; F215-L230 VanDerWaalsContact CB-CD1 3.43Å; F215-L230 HydrophobicContact CD1-CD1 4.26Å; F215-L230 HydrophobicContact CD2-CD1 3.29Å; F215-L230 HydrophobicContact CE2-CD1 4.03Å; F215-L230 HydrophobicContact CG-CD1 3.4Å; L217-L230 HydrophobicContact CD1-CD1 3.62Å; L217-L230 HydrophobicContact CD1-CG 3.97Å; L217-L230 HydrophobicContact CG-CD1 4.5Å; L230-P232 WeakPolarHBondContact O-CD 3.31Å; L230-L496 HydrophobicContact CD2-CD2 4.42Å
231K93Very high92.9Very high50 Ų5025.8 Ų25.822%0.21715%0.148CC..PPolyproline II helixtrans-77.7119.5-179.7175.2160.6-172.9160.20110S271 Q495 K679 L680K231-S271 PolarHBondContact NZ-OG 2.86Å; K231-S271 VanDerWaalsContact NZ-OG 3.14Å; K231-Q495 PolarHBondContact O-OE1 2.86Å; K231-K679 WeakPolarHBondContact CE-O 3.44Å; K231-K679 PolarHBondContact NZ-O 3.23Å; K231-L680 WeakPolarHBondContact CG-O 3.41Å
232P93.6Very high92.8Very high1 Ų122.7 Ų22.71%0.00613%0.129CC..PPolyproline II helixtrans-63.1141.6174.8-16.928.8000111.6L207 L208 E211 L230 I234 L680L207-P232 HydrophobicContact CD1-CB 3.99Å; L207-P232 HydrophobicContact CD1-CG 4.39Å; L207-P232 HydrophobicContact CD2-CB 3.75Å; L207-P232 HydrophobicContact CD2-CG 3.84Å; L207-P232 HydrophobicContact CG-CB 3.74Å; L207-P232 HydrophobicContact CG-CG 3.66Å; L208-P232 HydrophobicContact CD2-CG 3.83Å; E211-P232 HydrophobicContact CG-CB 3.75Å; E211-P232 HydrophobicContact CG-CG 3.76Å; L230-P232 WeakPolarHBondContact O-CD 3.31Å; P232-I234 HydrophobicContact CB-CG2 4.26Å; P232-L680 VanDerWaalsContact CD-O 3.31Å; P232-L680 WeakPolarHBondContact CD-O 3.05Å
233T90.1Very high92.2Very high72 Ų7223.9 Ų23.944%0.44213%0.133SC..SBendtrans-71.7-34.4173.551.40000112.4
234I95.8Very high91.6Very high9 Ų924.3 Ų24.35%0.04614%0.136CC..SBendtrans-73.9140.8-178.1-162.4162.2000111.2L185 V191 L207 P232L185-I234 HydrophobicContact CB-CD1 3.98Å; L185-I234 HydrophobicContact CD1-CD1 4.39Å; L185-I234 HydrophobicContact CD1-CG2 4.36Å; V191-I234 HydrophobicContact CG2-CD1 3.65Å; V191-I234 HydrophobicContact CG2-CG1 4.25Å; L207-I234 HydrophobicContact CD1-CG2 3.27Å; L207-I234 HydrophobicContact CD2-CG2 3.59Å; L207-I234 HydrophobicContact CG-CG2 4.05Å; P232-I234 HydrophobicContact CB-CG2 4.26Å
235R97.3Very high91.5Very high23 Ų2320.8 Ų20.89%0.08712%0.121CC..EExtended strand (participates in β ladder)trans-90.5139.8178.8-71.5170-72.2178.7-0.5110.7S128 G190 V191 G267 R682 F684S128-R235 VanDerWaalsContact O-CZ 3.32Å; S128-R235 PolarHBondContact O-NH1 3.21Å; S128-R235 PolarHBondContact O-NH2 2.96Å; G190-R235 CarbonylContact C-O 3.38Å; G190-R235 WeakPolarHBondContact CA-O 3.17Å; V191-R235 PolarHBondContact N-O 2.83Å; R235-G267 PolarHBondContact NH1-O 3.14Å; R235-R682 HydrophobicContact CG-CB 3.84Å; R235-F684 HydrophobicContact CB-CD1 4.47Å; R235-F684 HydrophobicContact CB-CD2 3.94Å; R235-F684 HydrophobicContact CB-CE1 4.11Å; R235-F684 HydrophobicContact CB-CE2 3.5Å; R235-F684 HydrophobicContact CB-CG 4.39Å; R235-F684 HydrophobicContact CB-CZ 3.6Å; R235-F684 HydrophobicContact CG-CZ 4.47Å
236L98.2Very high91.5Very high0 Ų020.1 Ų20.10%012%0.117CC..EExtended strand (participates in β ladder)trans-87.8147.8169-70.4-170000111.3V191 L200 V204 L207 I681 R682 F683 F684V191-L236 HydrophobicContact CB-CD2 3.77Å; V191-L236 HydrophobicContact CG1-CD2 4.2Å; V191-L236 CarbonylContact O-C 3.52Å; V191-L236 VanDerWaalsContact O-CA 3.3Å; V191-L236 WeakPolarHBondContact O-CA 3.43Å; L200-L236 HydrophobicContact CD1-CD1 4.4Å; V204-L236 HydrophobicContact CB-CD1 4.48Å; V204-L236 HydrophobicContact CG2-CD1 3.51Å; L207-L236 HydrophobicContact CD2-CD1 4.43Å; L207-L236 HydrophobicContact CD2-CD2 3.78Å; L207-L236 HydrophobicContact CD2-CG 3.92Å; L236-I681 HydrophobicContact CD1-CD1 3.36Å; L236-I681 HydrophobicContact CD1-CG1 4.06Å; L236-I681 HydrophobicContact CG-CD1 4.01Å; L236-I681 HydrophobicContact CG-CG1 4.27Å; L236-R682 PolarHBondContact N-O 2.71Å; L236-F683 HydrophobicContact CB-CD1 4.06Å; L236-F683 HydrophobicContact CB-CD2 4.08Å; L236-F683 HydrophobicContact CB-CE1 3.79Å; L236-F683 HydrophobicContact CB-CE2 3.81Å; L236-F683 HydrophobicContact CB-CG 4.21Å; L236-F683 HydrophobicContact CB-CZ 3.67Å; L236-F683 HydrophobicContact CD1-CE2 3.83Å; L236-F683 HydrophobicContact CD1-CZ 3.69Å; L236-F683 HydrophobicContact CG-CE2 4.35Å; L236-F683 HydrophobicContact CG-CZ 4.34Å; L236-F683 CarbonylContact O-C 3.51Å; L236-F683 WeakPolarHBondContact O-CA 3.4Å; L236-F684 WeakPolarHBondContact O-CD2 3.47Å; L236-F684 PolarHBondContact O-N 2.68Å
237G98.2Very high92.1Very high0 Ų019.4 Ų19.40%011%0.11CC..EExtended strand (participates in β ladder)trans-132.5148.7168.500000110.4V191 I192 C193V191-G237 PolarHBondContact O-N 3.37Å; I192-G237 CarbonylContact C-O 3.54Å; I192-G237 WeakPolarHBondContact CA-O 3.41Å; C193-G237 PolarHBondContact N-O 3.15Å
238V97.9Very high92.5Very high2 Ų216.7 Ų16.71%0.01210%0.097CC..EExtended strand (participates in β ladder)trans-120.9127.6176.262.20000110.1C193 L200 V251 H252C193-V238 WeakPolarHBondContact O-CA 3.3Å; L200-V238 HydrophobicContact CD1-CB 4.36Å; L200-V238 HydrophobicContact CD2-CB 3.99Å; L200-V238 HydrophobicContact CD2-CG1 4.44Å; L200-V238 HydrophobicContact CD2-CG2 4.07Å; V238-V251 HydrophobicContact CG1-CG2 4.03Å; V238-H252 PolarHBondContact O-CE1 3.21Å; V238-H252 VanDerWaalsContact O-CE1 3.31Å
239I98Very high92.8Very high0 Ų014.9 Ų14.90%09%0.085CC..EExtended strand (participates in β ladder)trans-102.2114.2164.5-60.2-60000107I149 V154 I192 C193 V194 G195 A241 V257 A260 A261 I264I149-I239 HydrophobicContact CG2-CG2 4.04Å; V154-I239 HydrophobicContact CG1-CD1 4.07Å; V154-I239 HydrophobicContact CG1-CG1 4.18Å; V154-I239 HydrophobicContact CG2-CD1 4.05Å; V154-I239 HydrophobicContact CG2-CG1 4.14Å; V154-I239 HydrophobicContact CG2-CG2 3.76Å; I192-I239 HydrophobicContact CG2-CG1 3.91Å; C193-I239 PolarHBondContact O-N 3.05Å; V194-I239 HydrophobicContact CB-CB 4.3Å; V194-I239 HydrophobicContact CG1-CB 4.1Å; V194-I239 HydrophobicContact CG1-CG2 3.97Å; V194-I239 HydrophobicContact CG2-CB 4.03Å; V194-I239 HydrophobicContact CG2-CG1 4.17Å; G195-I239 PolarHBondContact N-O 3.31Å; I239-A241 PolarHBondContact O-N 3.43Å; I239-V257 HydrophobicContact CG2-CG1 4Å; I239-V257 HydrophobicContact CG2-CG2 4.46Å; I239-A260 HydrophobicContact CD1-CB 4.02Å; I239-A261 HydrophobicContact CD1-CB 4.15Å; I239-I264 HydrophobicContact CD1-CD1 3.65Å; I239-I264 HydrophobicContact CG1-CD1 4.35Å
240P95.9Very high92.9Very high4 Ų414.8 Ų14.83%0.0269%0.085CC..EExtended strand (participates in β ladder)trans-64.9119.7-175.625.7-33.8000111.2D245 N255 V257P240-D245 HydrophobicContact CB-CB 3.91Å; P240-N255 HydrophobicContact CB-CB 4.06Å; P240-N255 HydrophobicContact CG-CB 4.28Å; P240-N255 WeakPolarHBondContact CG-O 3.1Å; P240-V257 HydrophobicContact CG-CG2 4.27Å
241A93.4Very high93.1Very high9 Ų914.3 Ų14.37%0.0748%0.083CC..  trans-143.316171.300000111.6A146 I149 V194 G195 I239A146-A241 HydrophobicContact CB-CB 3.89Å; I149-A241 HydrophobicContact CD1-CB 3.87Å; V194-A241 HydrophobicContact CG1-CB 4.43Å; G195-A241 PolarHBondContact O-N 2.86Å; I239-A241 PolarHBondContact O-N 3.43Å
242G86.8Confident93.2Very high17 Ų1712 Ų1218%0.1757%0.073CC..SBendtrans-89.3-171.7178.100000113.4G195 G196 D245G195-G242 PolarHBondContact O-N 2.89Å; G196-G242 VanDerWaalsContact CA-CA 3.49Å; G242-D245 WeakPolarHBondContact CA-OD1 3.47Å; G242-D245 PolarHBondContact N-OD1 2.98Å
243S78.8Confident93.1Very high53 Ų5312.2 Ų12.237%0.3718%0.076SC..SBendtrans-91.8-19.2176.653.30000113.8
244T80.8Confident93.2Very high9 Ų99.9 Ų9.96%0.0556%0.061CC..SBendtrans-123.3-50-172.3-47.90000111A246 S439 I440 C528T244-A246 VanDerWaalsContact C-N 3.28Å; T244-A246 HydrophobicContact CG2-CB 4.28Å; T244-A246 PolarHBondContact O-N 3.44Å; T244-S439 PolarHBondContact OG1-O 3.06Å; T244-I440 HydrophobicContact CG2-CG1 4.34Å; T244-C528 HydrophobicContact CG2-CB 3.78Å
245D90.3Very high93Very high10 Ų1012.4 Ų12.45%0.0538%0.075CC..  trans56.738.7176.4-55.7-39.3000112.8D197 P240 G242 V247 S248 Y249 N255D197-D245 WeakPolarHBondContact OD2-CA 3.42Å; D197-D245 PolarHBondContact OD2-N 3.25Å; P240-D245 HydrophobicContact CB-CB 3.91Å; G242-D245 WeakPolarHBondContact CA-OD1 3.47Å; G242-D245 PolarHBondContact N-OD1 2.98Å; D245-V247 VanDerWaalsContact C-N 3.27Å; D245-V247 PolarHBondContact O-N 2.96Å; D245-S248 WeakPolarHBondContact O-CB 3.22Å; D245-S248 PolarHBondContact O-N 3.01Å; D245-Y249 WeakPolarHBondContact O-CD2 3.13Å; D245-Y249 PolarHBondContact O-N 3.45Å; D245-N255 HydrophobicContact CB-CB 4.05Å
246A92.1Very high92.8Very high1 Ų114.1 Ų14.11%0.0089%0.086CC..Hα-helixtrans-61.1-35.9-174.300000112.8D197 T244 S250 R527D197-A246 PolarHBondContact OD1-N 2.9Å; D197-A246 PolarHBondContact OD2-N 3Å; T244-A246 VanDerWaalsContact C-N 3.28Å; T244-A246 HydrophobicContact CG2-CB 4.28Å; T244-A246 PolarHBondContact O-N 3.44Å; A246-S250 PolarHBondContact O-N 2.85Å; A246-S250 PolarHBondContact O-OG 3.31Å; A246-R527 VanDerWaalsContact CA-O 3.31Å; A246-R527 WeakPolarHBondContact CA-O 3.45Å
247V95.7Very high92.7Very high0 Ų014.8 Ų14.80%09%0.09CC..Hα-helixtrans-67.3-40.4176-177.50000110.4D197 L200 D245 Y249 S250 V251 L290 T291 F683D197-V247 PolarHBondContact OD1-N 3.21Å; L200-V247 HydrophobicContact CD2-CB 3.77Å; L200-V247 HydrophobicContact CD2-CG1 3.59Å; L200-V247 HydrophobicContact CD2-CG2 3.93Å; D245-V247 VanDerWaalsContact C-N 3.27Å; D245-V247 PolarHBondContact O-N 2.96Å; V247-Y249 PolarHBondContact O-N 3.36Å; V247-S250 CarbonylContact O-C 3.6Å; V247-S250 WeakPolarHBondContact O-CA 3.23Å; V247-S250 WeakPolarHBondContact O-CB 3.38Å; V247-S250 PolarHBondContact O-N 3.08Å; V247-V251 HydrophobicContact CG1-CG1 4.1Å; V247-V251 HydrophobicContact CG1-CG2 4.41Å; V247-V251 WeakPolarHBondContact O-CG2 3.39Å; V247-V251 PolarHBondContact O-N 3.1Å; V247-L290 HydrophobicContact CG1-CD2 4.29Å; V247-L290 HydrophobicContact CG2-CD2 3.7Å; V247-L290 HydrophobicContact CG2-CG 4.34Å; V247-T291 HydrophobicContact CG2-CG2 3.42Å; V247-T291 VanDerWaalsContact CG2-CG2 3.42Å; V247-F683 HydrophobicContact CG1-CE1 4.27Å
248S95.8Very high92.5Very high0 Ų016.2 Ų16.20%010%0.098CC..Hα-helixtrans-60.3-42.6178.7-169.70000112.1D245 S250 V251 H252 G253 T254D245-S248 WeakPolarHBondContact O-CB 3.22Å; D245-S248 PolarHBondContact O-N 3.01Å; S248-S250 PolarHBondContact O-N 3.43Å; S248-V251 PolarHBondContact O-N 3.03Å; S248-H252 WeakPolarHBondContact O-CA 3.28Å; S248-H252 VanDerWaalsContact O-CB 3.3Å; S248-H252 WeakPolarHBondContact O-CB 3.5Å; S248-H252 PolarHBondContact O-N 3.47Å; S248-H252 PolarHBondContact OG-ND1 2.87Å; S248-H252 VanDerWaalsContact OG-ND1 3.1Å; S248-G253 PolarHBondContact O-N 3.26Å; S248-T254 CarbonylContact C-O 3.52Å; S248-T254 PolarHBondContact OG-O 2.72Å
249Y93.4Very high92.4Very high38 Ų3816.1 Ų16.115%0.14910%0.098CC..Hα-helixtrans-62.6-33.9173.2-80.2-81.4000112.5D245 V247 G253 N255 R527D245-Y249 WeakPolarHBondContact O-CD2 3.13Å; D245-Y249 PolarHBondContact O-N 3.45Å; V247-Y249 PolarHBondContact O-N 3.36Å; Y249-G253 WeakPolarHBondContact O-CA 3.39Å; Y249-G253 PolarHBondContact O-N 2.83Å; Y249-N255 HydrophobicContact CD2-CB 4.43Å; Y249-N255 HydrophobicContact CE2-CB 3.8Å; Y249-N255 PolarHBondContact OH-OD1 3.45Å; Y249-R527 HydrophobicContact CG-CB 4.36Å
250S94.5Very high92.4Very high3 Ų316.1 Ų16.12%0.02110%0.098CC..Hα-helixtrans-73.4-42.2179.1-60.40000112.2A246 V247 S248 L541 P688A246-S250 PolarHBondContact O-N 2.85Å; A246-S250 PolarHBondContact O-OG 3.31Å; V247-S250 CarbonylContact O-C 3.6Å; V247-S250 WeakPolarHBondContact O-CA 3.23Å; V247-S250 WeakPolarHBondContact O-CB 3.38Å; V247-S250 PolarHBondContact O-N 3.08Å; S248-S250 PolarHBondContact O-N 3.43Å; S250-L541 WeakPolarHBondContact O-CD1 3.15Å; S250-P688 WeakPolarHBondContact O-CD 3.29Å
251V95.7Very high92.5Very high0 Ų016 Ų160%010%0.097CC..Hα-helixtrans-94.3-21-174.8-58.20000114.8V238 V247 S248 I270 L272 F683 G685 R686 G687V238-V251 HydrophobicContact CG1-CG2 4.03Å; V247-V251 HydrophobicContact CG1-CG1 4.1Å; V247-V251 HydrophobicContact CG1-CG2 4.41Å; V247-V251 WeakPolarHBondContact O-CG2 3.39Å; V247-V251 PolarHBondContact O-N 3.1Å; S248-V251 PolarHBondContact O-N 3.03Å; V251-I270 HydrophobicContact CB-CG2 4.32Å; V251-I270 HydrophobicContact CG1-CG2 4.21Å; V251-L272 HydrophobicContact CG1-CD1 3.92Å; V251-L272 HydrophobicContact CG1-CD2 4.02Å; V251-L272 HydrophobicContact CG1-CG 4.48Å; V251-F683 HydrophobicContact CG1-CB 4.34Å; V251-F683 HydrophobicContact CG1-CD1 4.41Å; V251-F683 HydrophobicContact CG1-CG 4.44Å; V251-G685 WeakPolarHBondContact O-CA 3.32Å; V251-R686 PolarHBondContact O-N 2.95Å; V251-G687 WeakPolarHBondContact O-CA 3.05Å; V251-G687 PolarHBondContact O-N 3.43Å
252H94.5Very high92.7Very high1 Ų115.7 Ų15.71%0.0059%0.094CC..Hα-helixtrans-121.4-12.5179.9-48.6133.7000113.4V238 S248 T254 A260 H263 F684V238-H252 PolarHBondContact O-CE1 3.21Å; V238-H252 VanDerWaalsContact O-CE1 3.31Å; S248-H252 WeakPolarHBondContact O-CA 3.28Å; S248-H252 VanDerWaalsContact O-CB 3.3Å; S248-H252 WeakPolarHBondContact O-CB 3.5Å; S248-H252 PolarHBondContact O-N 3.47Å; S248-H252 PolarHBondContact OG-ND1 2.87Å; S248-H252 VanDerWaalsContact OG-ND1 3.1Å; H252-T254 HydrophobicContact CB-CG2 4.43Å; H252-T254 PolarHBondContact O-N 3.08Å; H252-A260 VanDerWaalsContact CE1-CB 3.47Å; H252-A260 WeakPolarHBondContact CE1-CB 3.38Å; H252-H263 AromaticContact CD2-CD2 3.68Å; H252-F684 PolarHBondContact NE2-O 3.42Å; H252-F684 VanDerWaalsContact NE2-O 3.14Å
253G92.2Very high93.2Very high6 Ų615 Ų156%0.0629%0.086CC..SBendtrans76.9-6.4-171.600000115Y94 S248 Y249Y94-G253 WeakPolarHBondContact CD2-O 3.37Å; S248-G253 PolarHBondContact O-N 3.26Å; Y249-G253 WeakPolarHBondContact O-CA 3.39Å; Y249-G253 PolarHBondContact O-N 2.83Å
254T92.4Very high94.1Very high22 Ų2212.5 Ų12.514%0.1357%0.068CC..SBendtrans-151.2164.1-175.4-175.60000110.9S248 H252 D256 T259S248-T254 CarbonylContact C-O 3.52Å; S248-T254 PolarHBondContact OG-O 2.72Å; H252-T254 HydrophobicContact CB-CG2 4.43Å; H252-T254 PolarHBondContact O-N 3.08Å; T254-D256 HydrophobicContact CG2-CB 3.87Å; T254-D256 PolarHBondContact OG1-N 3.23Å; T254-D256 VanDerWaalsContact OG1-N 3.15Å; T254-T259 HydrophobicContact CG2-CG2 3.59Å
255N92Very high95Very high62 Ų6212 Ų1233%0.3327%0.066SC..  trans-101.918.4166.972.9-27.5000112.5P240 D245 Y249 V257P240-N255 HydrophobicContact CB-CB 4.06Å; P240-N255 HydrophobicContact CG-CB 4.28Å; P240-N255 WeakPolarHBondContact CG-O 3.1Å; D245-N255 HydrophobicContact CB-CB 4.05Å; Y249-N255 HydrophobicContact CD2-CB 4.43Å; Y249-N255 HydrophobicContact CE2-CB 3.8Å; Y249-N255 PolarHBondContact OH-OD1 3.45Å; N255-V257 PolarHBondContact O-N 3.35Å
256D93.4Very high95.3Very high60 Ų6012 Ų1232%0.3217%0.066SC..  trans-67.9120.1172.3177.158.9000111.2T254 V258 T259 A260T254-D256 HydrophobicContact CG2-CB 3.87Å; T254-D256 PolarHBondContact OG1-N 3.23Å; T254-D256 VanDerWaalsContact OG1-N 3.15Å; D256-V258 VanDerWaalsContact C-N 3.32Å; D256-V258 PolarHBondContact O-N 2.95Å; D256-T259 PolarHBondContact O-N 2.84Å; D256-T259 VanDerWaalsContact OD2-CB 3.29Å; D256-T259 WeakPolarHBondContact OD2-CB 3.35Å; D256-T259 PolarHBondContact OD2-N 3.09Å; D256-T259 PolarHBondContact OD2-OG1 2.81Å; D256-A260 PolarHBondContact O-N 2.95Å; D256-A260 VanDerWaalsContact O-N 3.08Å
257V95.1Very high95.5Very high14 Ų1412 Ų129%0.0857%0.067CC..Hα-helixtrans-59.3-42.8-177.11680000111.7I149 Q153 V154 I239 P240 N255 A260 A261I149-V257 HydrophobicContact CG2-CB 4.31Å; I149-V257 HydrophobicContact CG2-CG1 3.61Å; I149-V257 HydrophobicContact CG2-CG2 3.7Å; Q153-V257 HydrophobicContact CB-CG1 3.88Å; V154-V257 HydrophobicContact CG2-CG1 3.62Å; I239-V257 HydrophobicContact CG2-CG1 4Å; I239-V257 HydrophobicContact CG2-CG2 4.46Å; P240-V257 HydrophobicContact CG-CG2 4.27Å; N255-V257 PolarHBondContact O-N 3.35Å; V257-A260 PolarHBondContact O-N 3.33Å; V257-A261 PolarHBondContact O-N 3.37Å
258V94.8Very high95.5Very high30 Ų3013.3 Ų13.318%0.1827%0.074CC..Hα-helixtrans-66.1-46.7-178.2173.30000109.5V98 L157 D256 A260 A261 L262V98-V258 HydrophobicContact CG2-CG1 4.22Å; L157-V258 HydrophobicContact CD1-CG1 4.12Å; D256-V258 VanDerWaalsContact C-N 3.32Å; D256-V258 PolarHBondContact O-N 2.95Å; V258-A260 VanDerWaalsContact C-N 3.34Å; V258-A260 PolarHBondContact O-N 3.36Å; V258-A261 PolarHBondContact O-N 2.95Å; V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CG 4.17Å; V258-L262 VanDerWaalsContact O-CG 3.24Å; V258-L262 WeakPolarHBondContact O-CG 3.33Å; V258-L262 PolarHBondContact O-N 2.94Å
259T95.6Very high95.5Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-54.5-48.4175.5-60.30000112.1G95 W96 T254 D256 A261 L262 H263G95-T259 WeakPolarHBondContact CA-OG1 3.35Å; W96-T259 HydrophobicContact CB-CG2 4.19Å; W96-T259 HydrophobicContact CG-CG2 4.35Å; W96-T259 PolarHBondContact N-OG1 2.85Å; W96-T259 PolarHBondContact O-OG1 3.28Å; T254-T259 HydrophobicContact CG2-CG2 3.59Å; D256-T259 PolarHBondContact O-N 2.84Å; D256-T259 VanDerWaalsContact OD2-CB 3.29Å; D256-T259 WeakPolarHBondContact OD2-CB 3.35Å; D256-T259 PolarHBondContact OD2-N 3.09Å; D256-T259 PolarHBondContact OD2-OG1 2.81Å; T259-A261 PolarHBondContact O-N 3.22Å; T259-L262 PolarHBondContact O-N 3.4Å; T259-H263 PolarHBondContact O-CD2 3.01Å; T259-H263 VanDerWaalsContact O-CD2 3.25Å; T259-H263 PolarHBondContact O-N 3.23Å
260A97.7Very high95.6Very high0 Ų016.2 Ų16.20%09%0.091CC..Hα-helixtrans-58.7-46.9176.700000112.3I239 H252 D256 V257 V258 L262 H263 I264I239-A260 HydrophobicContact CD1-CB 4.02Å; H252-A260 VanDerWaalsContact CE1-CB 3.47Å; H252-A260 WeakPolarHBondContact CE1-CB 3.38Å; D256-A260 PolarHBondContact O-N 2.95Å; D256-A260 VanDerWaalsContact O-N 3.08Å; V257-A260 PolarHBondContact O-N 3.33Å; V258-A260 VanDerWaalsContact C-N 3.34Å; V258-A260 PolarHBondContact O-N 3.36Å; A260-L262 VanDerWaalsContact C-N 3.31Å; A260-L262 PolarHBondContact O-N 3.46Å; A260-H263 PolarHBondContact O-N 2.84Å; A260-I264 WeakPolarHBondContact O-CG1 3.47Å; A260-I264 PolarHBondContact O-N 3.38Å; A260-I264 VanDerWaalsContact O-N 3.15Å
261A98.1Very high95.6Very high0 Ų017.2 Ų17.20%010%0.099CC..Hα-helixtrans-61.6-38.217700000112.5V154 L157 I239 V257 V258 T259 I264 I265V154-A261 HydrophobicContact CG1-CB 4.17Å; V154-A261 HydrophobicContact CG2-CB 4.48Å; L157-A261 HydrophobicContact CD1-CB 3.8Å; I239-A261 HydrophobicContact CD1-CB 4.15Å; V257-A261 PolarHBondContact O-N 3.37Å; V258-A261 PolarHBondContact O-N 2.95Å; T259-A261 PolarHBondContact O-N 3.22Å; A261-I264 PolarHBondContact O-N 3.17Å; A261-I265 WeakPolarHBondContact O-CD1 3.27Å; A261-I265 VanDerWaalsContact O-CG1 3.27Å; A261-I265 WeakPolarHBondContact O-CG1 3.29Å; A261-I265 PolarHBondContact O-N 2.83Å
262L97.2Very high95.6Very high3 Ų317.2 Ų17.22%0.01610%0.099CC..Hα-helixtrans-68.6-35.8178-67.6-177.5000112.7I51 T88 W96 V98 L157 V258 T259 A260 I265 S266I51-L262 HydrophobicContact CD1-CD2 3.5Å; I51-L262 HydrophobicContact CG1-CD2 3.87Å; T88-L262 HydrophobicContact CG2-CB 4.18Å; T88-L262 HydrophobicContact CG2-CD1 3.83Å; T88-L262 HydrophobicContact CG2-CD2 3.65Å; T88-L262 HydrophobicContact CG2-CG 4.07Å; W96-L262 HydrophobicContact CB-CD1 3.84Å; V98-L262 HydrophobicContact CG2-CD1 4.47Å; V98-L262 HydrophobicContact CG2-CD2 4.36Å; L157-L262 HydrophobicContact CD1-CD2 4.39Å; V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CG 4.17Å; V258-L262 VanDerWaalsContact O-CG 3.24Å; V258-L262 WeakPolarHBondContact O-CG 3.33Å; V258-L262 PolarHBondContact O-N 2.94Å; T259-L262 PolarHBondContact O-N 3.4Å; A260-L262 VanDerWaalsContact C-N 3.31Å; A260-L262 PolarHBondContact O-N 3.46Å; L262-I265 HydrophobicContact CD2-CD1 4.29Å; L262-I265 PolarHBondContact O-N 3.16Å; L262-S266 WeakPolarHBondContact O-CB 2.8Å; L262-S266 PolarHBondContact O-N 3.12Å; L262-S266 PolarHBondContact O-OG 2.84Å
263H97.3Very high95.7Very high3 Ų317.2 Ų17.21%0.01410%0.099CC..Hα-helixtrans-64.3-41.7172.4-78-59.5000112W96 H252 T259 A260 S266 G267 D268W96-H263 AromaticContact CD1-NE2 3.85Å; W96-H263 AromaticContact NE1-CE1 3.88Å; W96-H263 AromaticContact NE1-NE2 3.92Å; H252-H263 AromaticContact CD2-CD2 3.68Å; T259-H263 PolarHBondContact O-CD2 3.01Å; T259-H263 VanDerWaalsContact O-CD2 3.25Å; T259-H263 PolarHBondContact O-N 3.23Å; A260-H263 PolarHBondContact O-N 2.84Å; H263-S266 PolarHBondContact O-N 3.29Å; H263-G267 PolarHBondContact O-N 3.31Å; H263-D268 WeakPolarHBondContact CA-OD2 3.28Å; H263-D268 HydrophobicContact CB-CB 4.48Å; H263-D268 IonicContact CE1-OD2 2.73Å; H263-D268 IonicContact CG-OD2 2.72Å; H263-D268 IonicContact ND1-OD2 3.54Å; H263-D268 PolarHBondContact ND1-OD2 3.47Å; H263-D268 PolarHBondContact O-N 2.71Å
264I98.6Very high96Very high0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-60.5-50.1173.7-65.4158.8000111P130 L133 F158 I192 I239 A260 A261 S266 G267 F684P130-I264 VanDerWaalsContact CD-O 3.26Å; P130-I264 WeakPolarHBondContact CD-O 3.41Å; P130-I264 HydrophobicContact CG-CG2 4.39Å; P130-I264 VanDerWaalsContact CG-O 3.31Å; P130-I264 WeakPolarHBondContact CG-O 3.27Å; L133-I264 HydrophobicContact CD1-CG2 3.73Å; F158-I264 HydrophobicContact CE1-CB 4.16Å; F158-I264 HydrophobicContact CE1-CG2 3.77Å; F158-I264 HydrophobicContact CZ-CB 4.34Å; F158-I264 HydrophobicContact CZ-CD1 4.24Å; F158-I264 HydrophobicContact CZ-CG2 3.8Å; I192-I264 HydrophobicContact CD1-CD1 3.99Å; I192-I264 HydrophobicContact CD1-CG1 4.16Å; I192-I264 HydrophobicContact CD1-CG2 3.8Å; I192-I264 HydrophobicContact CG2-CD1 3.95Å; I239-I264 HydrophobicContact CD1-CD1 3.65Å; I239-I264 HydrophobicContact CG1-CD1 4.35Å; A260-I264 WeakPolarHBondContact O-CG1 3.47Å; A260-I264 PolarHBondContact O-N 3.38Å; A260-I264 VanDerWaalsContact O-N 3.15Å; A261-I264 PolarHBondContact O-N 3.17Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 3.21Å; I264-G267 PolarHBondContact O-N 2.86Å; I264-F684 HydrophobicContact CB-CB 4.2Å; I264-F684 HydrophobicContact CB-CG 4.32Å; I264-F684 HydrophobicContact CG1-CB 3.57Å; I264-F684 HydrophobicContact CG1-CD2 4.23Å; I264-F684 HydrophobicContact CG1-CG 4.02Å; I264-F684 HydrophobicContact CG2-CD2 4.31Å; I264-F684 HydrophobicContact CG2-CG 4.29Å
265I98.4Very high96.2Very high0 Ų015.9 Ų15.90%09%0.089CC..Hα-helixtrans-60.3-39.4178.8-72.5162000111.7I51 R129 L157 F158 A161 I163 A261 L262 G267I51-I265 HydrophobicContact CG2-CD1 4.28Å; I51-I265 HydrophobicContact CG2-CG2 4.33Å; R129-I265 WeakPolarHBondContact CG-O 3.43Å; R129-I265 VanDerWaalsContact CZ-CG2 3.49Å; R129-I265 PolarHBondContact NE-O 2.79Å; L157-I265 HydrophobicContact CB-CD1 3.57Å; L157-I265 WeakPolarHBondContact O-CD1 3.23Å; F158-I265 HydrophobicContact CD1-CD1 3.94Å; F158-I265 HydrophobicContact CD1-CG1 3.69Å; F158-I265 HydrophobicContact CE1-CD1 4.33Å; F158-I265 HydrophobicContact CE1-CG1 3.93Å; A161-I265 HydrophobicContact CB-CB 4.42Å; A161-I265 HydrophobicContact CB-CD1 4.21Å; A161-I265 HydrophobicContact CB-CG1 3.94Å; A161-I265 HydrophobicContact CB-CG2 3.65Å; I163-I265 HydrophobicContact CD1-CB 4.42Å; I163-I265 HydrophobicContact CD1-CG1 3.86Å; A261-I265 WeakPolarHBondContact O-CD1 3.27Å; A261-I265 VanDerWaalsContact O-CG1 3.27Å; A261-I265 WeakPolarHBondContact O-CG1 3.29Å; A261-I265 PolarHBondContact O-N 2.83Å; L262-I265 HydrophobicContact CD2-CD1 4.29Å; L262-I265 PolarHBondContact O-N 3.16Å; I265-G267 PolarHBondContact O-N 3.24Å
266S96.6Very high96.5Very high8 Ų813 Ų136%0.0567%0.074CC..Hα-helixtrans-66.9-16.5178.8-57.80000112.1N126 L262 H263 I264N126-S266 PolarHBondContact ND2-O 3.35Å; L262-S266 WeakPolarHBondContact O-CB 2.8Å; L262-S266 PolarHBondContact O-N 3.12Å; L262-S266 PolarHBondContact O-OG 2.84Å; H263-S266 PolarHBondContact O-N 3.29Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 3.21Å
267G97.1Very high96.7Very high3 Ų310.1 Ų10.13%0.0316%0.059CC..THydrogen-bonded Turntrans68.429.8-174.700000111.9S128 R235 H263 I264 I265S128-G267 WeakPolarHBondContact O-CA 3.44Å; S128-G267 PolarHBondContact OG-O 3.39Å; R235-G267 PolarHBondContact NH1-O 3.14Å; H263-G267 PolarHBondContact O-N 3.31Å; I264-G267 PolarHBondContact O-N 2.86Å; I265-G267 PolarHBondContact O-N 3.24Å
268D95.9Very high96.8Very high26 Ų269.5 Ų9.514%0.1396%0.055CC..  trans-60.2153.8175.8-68.9-33.7000110.3H263 F684 R686H263-D268 WeakPolarHBondContact CA-OD2 3.28Å; H263-D268 HydrophobicContact CB-CB 4.48Å; H263-D268 IonicContact CE1-OD2 2.73Å; H263-D268 IonicContact CG-OD2 2.72Å; H263-D268 IonicContact ND1-OD2 3.54Å; H263-D268 PolarHBondContact ND1-OD2 3.47Å; H263-D268 PolarHBondContact O-N 2.71Å; D268-F684 VanDerWaalsContact O-CA 3.31Å; D268-F684 WeakPolarHBondContact O-CA 3.26Å; D268-R686 HydrophobicContact CB-CG 3.79Å; D268-R686 IonicContact OD1-CZ 2.78Å; D268-R686 IonicContact OD1-NE 3.58Å; D268-R686 PolarHBondContact OD1-NE 2.7Å; D268-R686 IonicContact OD1-NH2 3.43Å; D268-R686 IonicContact OD2-CZ 3.02Å; D268-R686 IonicContact OD2-NE 3.83Å; D268-R686 PolarHBondContact OD2-NE 3.21Å; D268-R686 IonicContact OD2-NH2 3.61Å; D268-R686 PolarHBondContact OD2-NH2 2.71Å
269D94.8Very high96.8Very high70 Ų708 Ų837%0.3745%0.046SC..  trans-143.4125-172.5-172.651.8000111.1R682 F683 G685D269-R682 IonicContact OD1-CZ 2.7Å; D269-R682 IonicContact OD1-NE 3.39Å; D269-R682 PolarHBondContact OD1-NE 3.41Å; D269-R682 IonicContact OD1-NH2 3.58Å; D269-R682 PolarHBondContact OD1-NH2 3.39Å; D269-R682 IonicContact OD2-CZ 3.85Å; D269-R682 IonicContact OD2-NE 3.47Å; D269-R682 PolarHBondContact OD2-NE 3.43Å; D269-R682 IonicContact OD2-NH2 3.44Å; D269-R682 PolarHBondContact OD2-NH2 3.22Å; D269-F683 WeakPolarHBondContact CA-O 3.4Å; D269-G685 CarbonylContact C-O 3.51Å; D269-G685 PolarHBondContact N-O 2.99Å
270I95.1Very high96.8Very high29 Ų299.1 Ų9.115%0.1495%0.052CC..EExtended strand (participates in β ladder)trans-135.7139.4172-169.1165.9000108.8V251 L541 R682 F683 G685V251-I270 HydrophobicContact CB-CG2 4.32Å; V251-I270 HydrophobicContact CG1-CG2 4.21Å; I270-L541 HydrophobicContact CD1-CD1 3.67Å; I270-R682 CarbonylContact O-C 3.53Å; I270-R682 WeakPolarHBondContact O-CA 3.34Å; I270-F683 HydrophobicContact CG2-CB 3.78Å; I270-F683 PolarHBondContact N-O 2.69Å; I270-F683 PolarHBondContact O-N 2.9Å; I270-G685 WeakPolarHBondContact CB-O 3.45Å; I270-G685 PolarHBondContact N-O 3.11Å
271S95Very high96.4Very high25 Ų2512.8 Ų12.818%0.1757%0.071CC..EExtended strand (participates in β ladder)trans-98.3138.8175.1-63.90000110.8K231 I681K231-S271 PolarHBondContact NZ-OG 2.86Å; K231-S271 VanDerWaalsContact NZ-OG 3.14Å; S271-I681 CarbonylContact C-O 3.55Å; S271-I681 VanDerWaalsContact CA-O 3.26Å; S271-I681 WeakPolarHBondContact CA-O 3.44Å
272L96.3Very high96.1Very high0 Ų016.7 Ų16.70%09%0.092CC..EExtended strand (participates in β ladder)trans-114.5143.4178.7-52.1-177.4000111.3V251 L290 L541 K679 L680 I681 F683V251-L272 HydrophobicContact CG1-CD1 3.92Å; V251-L272 HydrophobicContact CG1-CD2 4.02Å; V251-L272 HydrophobicContact CG1-CG 4.48Å; L272-L290 HydrophobicContact CB-CD1 4.5Å; L272-L290 HydrophobicContact CD1-CD1 4.07Å; L272-L541 CarbonylContact C-O 3.58Å; L272-L541 VanDerWaalsContact CA-O 3.23Å; L272-L541 WeakPolarHBondContact CA-O 3.27Å; L272-L541 HydrophobicContact CD2-CB 3.75Å; L272-L541 HydrophobicContact CD2-CD1 3.98Å; L272-L541 HydrophobicContact CD2-CD2 4.23Å; L272-L541 HydrophobicContact CD2-CG 4.19Å; L272-K679 CarbonylContact O-C 3.5Å; L272-K679 VanDerWaalsContact O-C 3.3Å; L272-K679 WeakPolarHBondContact O-CA 3.5Å; L272-L680 PolarHBondContact O-N 2.95Å; L272-I681 HydrophobicContact CB-CG2 3.79Å; L272-I681 HydrophobicContact CG-CG2 4.47Å; L272-I681 PolarHBondContact N-O 3.14Å; L272-I681 PolarHBondContact O-N 3.38Å; L272-F683 HydrophobicContact CD1-CB 4.43Å; L272-F683 HydrophobicContact CD1-CD1 4.41Å; L272-F683 HydrophobicContact CD1-CD2 3.31Å; L272-F683 HydrophobicContact CD1-CE2 3.51Å; L272-F683 HydrophobicContact CD1-CG 3.8Å; L272-F683 HydrophobicContact CD1-CZ 4.14Å; L272-F683 HydrophobicContact CG-CD2 3.81Å; L272-F683 HydrophobicContact CG-CE2 4.36Å; L272-F683 HydrophobicContact CG-CG 4.35Å
273D96.3Very high95.8Very high1 Ų116.7 Ų16.71%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-71.6149.4166.5-62-21.2000110.4V523 L541 G542 D543 G544 V676 H677 R678 K679D273-V523 HydrophobicContact CB-CG1 4.07Å; D273-L541 PolarHBondContact N-O 3.26Å; D273-G542 VanDerWaalsContact OD1-CA 3.27Å; D273-G542 WeakPolarHBondContact OD1-CA 3.35Å; D273-G542 WeakPolarHBondContact OD2-CA 3.2Å; D273-D543 PolarHBondContact OD2-N 3.08Å; D273-G544 WeakPolarHBondContact OD2-CA 3.43Å; D273-G544 PolarHBondContact OD2-N 3.09Å; D273-V676 HydrophobicContact CB-CG1 4.06Å; D273-H677 VanDerWaalsContact CA-O 3.32Å; D273-H677 WeakPolarHBondContact CA-O 3.47Å; D273-R678 WeakPolarHBondContact OD1-CA 3.46Å; D273-K679 PolarHBondContact OD1-N 2.56Å
274V97.7Very high95.6Very high0 Ų018.7 Ų18.70%011%0.105CC..EExtended strand (participates in β ladder)trans-137.7141.3178175.80000108.2L208 Y288 L290 H677 L680 I681L208-V274 HydrophobicContact CD1-CG1 3.92Å; V274-Y288 HydrophobicContact CG1-CD1 3.99Å; V274-Y288 HydrophobicContact CG1-CG 4.19Å; V274-L290 HydrophobicContact CG2-CD1 4.27Å; V274-H677 PolarHBondContact N-O 3.15Å; V274-H677 WeakPolarHBondContact O-CA 3.47Å; V274-H677 WeakPolarHBondContact O-CB 3.25Å; V274-H677 PolarHBondContact O-N 2.99Å; V274-L680 HydrophobicContact CB-CB 4.22Å; V274-L680 HydrophobicContact CB-CD2 3.99Å; V274-L680 HydrophobicContact CG1-CD2 4.32Å; V274-L680 HydrophobicContact CG2-CB 4.25Å; V274-I681 HydrophobicContact CG2-CB 4.27Å; V274-I681 HydrophobicContact CG2-CG2 3.82Å
275V98.1Very high95.5Very high0 Ų019.4 Ų19.40%011%0.108CC..EExtended strand (participates in β ladder)trans-104.4133.1178.6168.90000110.7V277 Y288 V289 L293 V523 L546 C674 F675 V676V275-V277 HydrophobicContact CG1-CG2 4.33Å; V275-Y288 CarbonylContact O-C 3.39Å; V275-Y288 WeakPolarHBondContact O-CA 3.46Å; V275-V289 HydrophobicContact CB-CB 4.1Å; V275-V289 PolarHBondContact N-O 3.37Å; V275-V289 PolarHBondContact O-N 3.31Å; V275-L293 HydrophobicContact CG1-CD1 4.25Å; V275-V523 HydrophobicContact CB-CG2 4.37Å; V275-V523 HydrophobicContact CG2-CG2 3.61Å; V275-L546 HydrophobicContact CG2-CD2 3.85Å; V275-C674 HydrophobicContact CG1-CB 3.81Å; V275-F675 CarbonylContact C-O 3.56Å; V275-F675 VanDerWaalsContact CA-O 3.24Å; V275-F675 WeakPolarHBondContact CA-O 3.23Å; V275-V676 HydrophobicContact CG2-CB 4.3Å; V275-V676 HydrophobicContact CG2-CG1 4.44Å; V275-V676 HydrophobicContact CG2-CG2 3.77Å
276T97.9Very high95.4Very high1 Ų121.8 Ų21.81%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-87.6141.1165.254.50000110.3E229 F285 Y288 C674 F675 H677E229-T276 HydrophobicContact CG-CG2 4.18Å; E229-T276 VanDerWaalsContact OE1-CG2 3.29Å; E229-T276 WeakPolarHBondContact OE1-CG2 3.26Å; T276-F285 HydrophobicContact CG2-CE2 4.31Å; T276-Y288 HydrophobicContact CG2-CD1 3.51Å; T276-Y288 HydrophobicContact CG2-CE1 3.39Å; T276-C674 VanDerWaalsContact O-CA 3.22Å; T276-C674 WeakPolarHBondContact O-CA 3.25Å; T276-F675 PolarHBondContact N-O 2.84Å; T276-F675 PolarHBondContact O-N 2.86Å; T276-H677 WeakPolarHBondContact CG2-NE2 3.23Å; T276-H677 PolarHBondContact OG1-NE2 2.96Å; T276-H677 VanDerWaalsContact OG1-NE2 3.11Å
277V97.9Very high95.4Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-121.2127.4177.2-171.50000108.7V275 I286 R287 V289 L293 I672V275-V277 HydrophobicContact CG1-CG2 4.33Å; V277-I286 HydrophobicContact CB-CB 4.33Å; V277-I286 HydrophobicContact CG1-CB 4.27Å; V277-I286 HydrophobicContact CG1-CD1 4.17Å; V277-I286 WeakPolarHBondContact O-CB 3.15Å; V277-I286 PolarHBondContact O-N 3.06Å; V277-R287 HydrophobicContact CG2-CG 4.42Å; V277-R287 PolarHBondContact N-O 2.86Å; V277-R287 PolarHBondContact O-N 2.82Å; V277-V289 HydrophobicContact CG2-CG2 3.43Å; V277-V289 VanDerWaalsContact CG2-CG2 3.43Å; V277-L293 HydrophobicContact CG1-CD2 4.42Å; V277-L293 HydrophobicContact CG2-CD2 3.71Å; V277-I672 HydrophobicContact CG1-CB 4.09Å; V277-I672 HydrophobicContact CG1-CD1 4.11Å; V277-I672 HydrophobicContact CG1-CG2 4.13Å
278H97.2Very high95.4Very high0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-124.2151.7174.4-58.878.6000110.1H223 K224 P225 G283 T284 F285 I672 I673H223-H278 AromaticContact CD2-NE2 3.77Å; H223-H278 AromaticContact CE1-NE2 3.87Å; H223-H278 AromaticContact NE2-CE1 3.9Å; H223-H278 AromaticContact NE2-NE2 3.66Å; K224-H278 VanDerWaalsContact C-NE2 3.35Å; K224-H278 PolarHBondContact O-NE2 2.94Å; P225-H278 HydrophobicContact CB-CB 4.27Å; P225-H278 HydrophobicContact CG-CB 3.69Å; H278-G283 PolarHBondContact CD2-O 3.23Å; H278-T284 CarbonylContact C-O 3.59Å; H278-T284 VanDerWaalsContact CA-O 3.25Å; H278-T284 WeakPolarHBondContact CA-O 3.48Å; H278-F285 VanDerWaalsContact CD2-CA 3.4Å; H278-F285 WeakPolarHBondContact CD2-CA 3.13Å; H278-F285 AromaticContact CE1-CD2 3.99Å; H278-F285 AromaticContact NE2-CD2 3.7Å; H278-I672 CarbonylContact O-C 3.56Å; H278-I672 VanDerWaalsContact O-CA 3.27Å; H278-I672 WeakPolarHBondContact O-CA 3.32Å; H278-I673 HydrophobicContact CB-CG2 3.81Å; H278-I673 PolarHBondContact N-O 3.42Å; H278-I673 PolarHBondContact O-N 2.79Å
279A95.3Very high95.5Very high0 Ų020.8 Ų20.80%011%0.113CC..EExtended strand (participates in β ladder)trans-69.4133.2171.200000109.4D281 D282 G283 T284 I286 K669A279-D281 VanDerWaalsContact C-N 3.3Å; A279-D281 VanDerWaalsContact CB-OD1 3.27Å; A279-D281 WeakPolarHBondContact CB-OD1 3.44Å; A279-D281 PolarHBondContact O-N 2.89Å; A279-D282 WeakPolarHBondContact CB-OD1 3.11Å; A279-G283 WeakPolarHBondContact O-CA 3.29Å; A279-G283 PolarHBondContact O-N 3.46Å; A279-T284 PolarHBondContact N-O 2.81Å; A279-I286 HydrophobicContact CB-CD1 4.06Å; A279-I286 HydrophobicContact CB-CG1 4.37Å; A279-K669 HydrophobicContact CB-CB 4.48Å; A279-K669 HydrophobicContact CB-CD 3.88Å; A279-K669 HydrophobicContact CB-CG 3.9Å
280D93.9Very high95.7Very high22 Ų2217.4 Ų17.412%0.11810%0.095CC..THydrogen-bonded Turntrans-70.7-27.3-175.7-173.163.9000113.4R593 S671D280-R593 WeakPolarHBondContact OD1-CD 3.45Å; D280-R593 IonicContact OD1-CZ 2.94Å; D280-R593 IonicContact OD1-NE 3.62Å; D280-R593 PolarHBondContact OD1-NE 3.28Å; D280-R593 IonicContact OD1-NH2 2.9Å; D280-R593 PolarHBondContact OD1-NH2 3.27Å; D280-R593 IonicContact OD2-CZ 3.23Å; D280-R593 IonicContact OD2-NE 3.8Å; D280-R593 PolarHBondContact OD2-NE 2.63Å; D280-R593 IonicContact OD2-NH2 3.37Å; D280-R593 PolarHBondContact OD2-NH2 3.01Å; D280-S671 PolarHBondContact N-O 2.9Å; D280-S671 VanDerWaalsContact N-O 3.16Å
281D90.8Very high95.7Very high78 Ų7816 Ų1642%0.4179%0.088SC..THydrogen-bonded Turntrans-77.6-38.2-172.654-15.2000113.8A279 K669A279-D281 VanDerWaalsContact C-N 3.3Å; A279-D281 VanDerWaalsContact CB-OD1 3.27Å; A279-D281 WeakPolarHBondContact CB-OD1 3.44Å; A279-D281 PolarHBondContact O-N 2.89Å; D281-K669 IonicContact OD1-NZ 2.81Å; D281-K669 PolarHBondContact OD1-NZ 3.47Å; D281-K669 IonicContact OD2-NZ 2.93Å; D281-K669 PolarHBondContact OD2-NZ 2.94Å
282D90.3Very high95.8Very high82 Ų8215.2 Ų15.244%0.4398%0.081SC..THydrogen-bonded Turntrans-128.4-1.4-175.157.931.2000113.6A279 T284 K669A279-D282 WeakPolarHBondContact CB-OD1 3.11Å; D282-T284 PolarHBondContact O-N 2.74Å; D282-T284 WeakPolarHBondContact OD1-CB 3.39Å; D282-T284 PolarHBondContact OD1-N 3Å; D282-T284 PolarHBondContact OD1-OG1 2.82Å; D282-K669 IonicContact OD1-NZ 2.8Å; D282-K669 IonicContact OD2-NZ 2.81Å; D282-K669 PolarHBondContact OD2-NZ 3.46Å
283G91.7Very high95.8Very high3 Ų315.2 Ų15.23%0.0318%0.081CC..  trans69.213.2-178.300000113.9P225 H278 A279 F285P225-G283 WeakPolarHBondContact CD-O 3.15Å; H278-G283 PolarHBondContact CD2-O 3.23Å; A279-G283 WeakPolarHBondContact O-CA 3.29Å; A279-G283 PolarHBondContact O-N 3.46Å; G283-F285 PolarHBondContact O-N 3.49Å
284T93.4Very high95.8Very high44 Ų4415.1 Ų15.127%0.278%0.081SC..  trans-66.7128.1-179.5-58.90000110.4H278 A279 D282 I286H278-T284 CarbonylContact C-O 3.59Å; H278-T284 VanDerWaalsContact CA-O 3.25Å; H278-T284 WeakPolarHBondContact CA-O 3.48Å; A279-T284 PolarHBondContact N-O 2.81Å; D282-T284 PolarHBondContact O-N 2.74Å; D282-T284 WeakPolarHBondContact OD1-CB 3.39Å; D282-T284 PolarHBondContact OD1-N 3Å; D282-T284 PolarHBondContact OD1-OG1 2.82Å; T284-I286 PolarHBondContact O-N 2.75Å
285F96.2Very high95.8Very high15 Ų1515.3 Ų15.37%0.0668%0.082CC..EExtended strand (participates in β ladder)trans-59.7132.5170.5175.9-105.4000111.3L209 F220 H223 T276 H278 G283 R287 Y288L209-F285 HydrophobicContact CD2-CE1 4.47Å; F220-F285 WeakPolarHBondContact O-CB 3.39Å; H223-F285 HydrophobicContact CB-CB 3.82Å; H223-F285 HydrophobicContact CB-CG 4.2Å; H223-F285 AromaticContact CE1-CD2 3.37Å; H223-F285 WeakPolarHBondContact CE1-CD2 3.38Å; H223-F285 AromaticContact CE1-CE2 3.52Å; H223-F285 AromaticContact CG-CG 3.99Å; H223-F285 AromaticContact ND1-CD1 3.9Å; H223-F285 AromaticContact ND1-CD2 3.05Å; H223-F285 WeakPolarHBondContact ND1-CD2 3.41Å; H223-F285 AromaticContact ND1-CE2 3.44Å; H223-F285 WeakPolarHBondContact ND1-CE2 3.5Å; H223-F285 AromaticContact ND1-CG 3.29Å; H223-F285 VanDerWaalsContact ND1-CG 3.29Å; H223-F285 WeakPolarHBondContact ND1-CG 3.31Å; T276-F285 HydrophobicContact CG2-CE2 4.31Å; H278-F285 VanDerWaalsContact CD2-CA 3.4Å; H278-F285 WeakPolarHBondContact CD2-CA 3.13Å; H278-F285 AromaticContact CE1-CD2 3.99Å; H278-F285 AromaticContact NE2-CD2 3.7Å; G283-F285 PolarHBondContact O-N 3.49Å; F285-R287 VanDerWaalsContact CE2-C 3.47Å; F285-R287 WeakPolarHBondContact CE2-O 3.37Å; F285-R287 VanDerWaalsContact CZ-CA 3.49Å; F285-Y288 HydrophobicContact CE1-CE2 4.38Å; F285-Y288 HydrophobicContact CE2-CD1 4.24Å; F285-Y288 HydrophobicContact CE2-CD2 4.41Å; F285-Y288 HydrophobicContact CE2-CE1 4.14Å; F285-Y288 HydrophobicContact CE2-CE2 4.3Å; F285-Y288 HydrophobicContact CE2-CG 4.37Å; F285-Y288 HydrophobicContact CZ-CD1 4.3Å; F285-Y288 AromaticContact CZ-CD2 3.68Å; F285-Y288 HydrophobicContact CZ-CD2 3.68Å; F285-Y288 HydrophobicContact CZ-CE1 4.23Å; F285-Y288 AromaticContact CZ-CE2 3.58Å; F285-Y288 HydrophobicContact CZ-CE2 3.58Å; F285-Y288 HydrophobicContact CZ-CG 4.03Å; F285-Y288 AromaticContact CZ-CZ 3.87Å
286I96.2Very high95.6Very high51 Ų5115.3 Ų15.326%0.2628%0.082SC..EExtended strand (participates in β ladder)trans-102.4-60.1179.8-60-177.7000109.6V277 A279 T284 I667 K669 I672V277-I286 HydrophobicContact CB-CB 4.33Å; V277-I286 HydrophobicContact CG1-CB 4.27Å; V277-I286 HydrophobicContact CG1-CD1 4.17Å; V277-I286 WeakPolarHBondContact O-CB 3.15Å; V277-I286 PolarHBondContact O-N 3.06Å; A279-I286 HydrophobicContact CB-CD1 4.06Å; A279-I286 HydrophobicContact CB-CG1 4.37Å; T284-I286 PolarHBondContact O-N 2.75Å; I286-I667 HydrophobicContact CD1-CG2 3.82Å; I286-I667 HydrophobicContact CG2-CG1 4.22Å; I286-I667 HydrophobicContact CG2-CG2 3.86Å; I286-K669 HydrophobicContact CD1-CB 3.88Å; I286-K669 HydrophobicContact CD1-CG 3.93Å; I286-I672 HydrophobicContact CD1-CG2 4.13Å
287R96.7Very high95.3Very high15 Ų1516.2 Ų16.26%0.0579%0.085CC..EExtended strand (participates in β ladder)trans-168.4167.5-177.368.3-165.9-52.2-90.48.2111.9V277 F285 V289 S662 D663 E665V277-R287 HydrophobicContact CG2-CG 4.42Å; V277-R287 PolarHBondContact N-O 2.86Å; V277-R287 PolarHBondContact O-N 2.82Å; F285-R287 VanDerWaalsContact CE2-C 3.47Å; F285-R287 WeakPolarHBondContact CE2-O 3.37Å; F285-R287 VanDerWaalsContact CZ-CA 3.49Å; R287-V289 HydrophobicContact CG-CG2 4.17Å; R287-S662 VanDerWaalsContact NH1-CB 3.34Å; R287-S662 PolarHBondContact NH1-O 2.78Å; R287-S662 PolarHBondContact NH1-OG 3.38Å; R287-D663 IonicContact NH1-OD2 2.71Å; R287-D663 PolarHBondContact NH1-OD2 3.29Å; R287-E665 IonicContact CZ-OE2 2.75Å; R287-E665 IonicContact NE-OE2 3.73Å; R287-E665 IonicContact NH2-OE2 2.7Å; R287-E665 PolarHBondContact NH2-OE2 2.89Å
288Y97.8Very high94.8Very high0 Ų016.5 Ų16.50%09%0.087CC..EExtended strand (participates in β ladder)trans-88.2157.9158.7-52.4-83.8000110.1Q205 L208 L209 R212 E229 V274 V275 T276 F285Q205-Y288 VanDerWaalsContact OE1-CA 3.22Å; Q205-Y288 VanDerWaalsContact OE1-CD2 3.28Å; Q205-Y288 PolarHBondContact OE1-O 3.15Å; L208-Y288 HydrophobicContact CB-CD2 3.98Å; L208-Y288 HydrophobicContact CB-CE1 4.31Å; L208-Y288 HydrophobicContact CB-CE2 3.45Å; L208-Y288 VanDerWaalsContact CB-CE2 3.45Å; L208-Y288 HydrophobicContact CD1-CD1 3.67Å; L208-Y288 HydrophobicContact CD1-CD2 3.73Å; L208-Y288 HydrophobicContact CD1-CE1 3.86Å; L208-Y288 HydrophobicContact CD1-CE2 3.95Å; L208-Y288 HydrophobicContact CD1-CG 3.6Å; L208-Y288 HydrophobicContact CG-CD2 4.48Å; L208-Y288 HydrophobicContact CG-CE2 4.35Å; L209-Y288 HydrophobicContact CD2-CE2 4.32Å; L209-Y288 HydrophobicContact CG-CE2 4.31Å; R212-Y288 VanDerWaalsContact CD-OH 3.32Å; R212-Y288 WeakPolarHBondContact CD-OH 3.49Å; E229-Y288 HydrophobicContact CG-CE1 4.33Å; E229-Y288 VanDerWaalsContact OE1-CE1 3.32Å; E229-Y288 WeakPolarHBondContact OE1-CE1 3.35Å; E229-Y288 PolarHBondContact OE1-OH 2.75Å; E229-Y288 PolarHBondContact OE2-OH 3.23Å; V274-Y288 HydrophobicContact CG1-CD1 3.99Å; V274-Y288 HydrophobicContact CG1-CG 4.19Å; V275-Y288 CarbonylContact O-C 3.39Å; V275-Y288 WeakPolarHBondContact O-CA 3.46Å; T276-Y288 HydrophobicContact CG2-CD1 3.51Å; T276-Y288 HydrophobicContact CG2-CE1 3.39Å; F285-Y288 HydrophobicContact CE1-CE2 4.38Å; F285-Y288 HydrophobicContact CE2-CD1 4.24Å; F285-Y288 HydrophobicContact CE2-CD2 4.41Å; F285-Y288 HydrophobicContact CE2-CE1 4.14Å; F285-Y288 HydrophobicContact CE2-CE2 4.3Å; F285-Y288 HydrophobicContact CE2-CG 4.37Å; F285-Y288 HydrophobicContact CZ-CD1 4.3Å; F285-Y288 AromaticContact CZ-CD2 3.68Å; F285-Y288 HydrophobicContact CZ-CD2 3.68Å; F285-Y288 HydrophobicContact CZ-CE1 4.23Å; F285-Y288 AromaticContact CZ-CE2 3.58Å; F285-Y288 HydrophobicContact CZ-CE2 3.58Å; F285-Y288 HydrophobicContact CZ-CG 4.03Å; F285-Y288 AromaticContact CZ-CZ 3.87Å
289V98.1Very high94.4Very high0 Ų016.5 Ų16.50%09%0.087CC..EExtended strand (participates in β ladder)trans-131.8127.9-179.3175.90000109.3V275 V277 R287 M292 L293 V523 S662 D663V275-V289 HydrophobicContact CB-CB 4.1Å; V275-V289 PolarHBondContact N-O 3.37Å; V275-V289 PolarHBondContact O-N 3.31Å; V277-V289 HydrophobicContact CG2-CG2 3.43Å; V277-V289 VanDerWaalsContact CG2-CG2 3.43Å; R287-V289 HydrophobicContact CG-CG2 4.17Å; V289-M292 VanDerWaalsContact CG1-O 3.32Å; V289-M292 WeakPolarHBondContact CG1-O 3.34Å; V289-L293 HydrophobicContact CB-CD1 4.15Å; V289-L293 HydrophobicContact CB-CG 4.48Å; V289-L293 HydrophobicContact CG1-CD1 3.76Å; V289-L293 HydrophobicContact CG1-CG 4.04Å; V289-L293 HydrophobicContact CG2-CD1 4.07Å; V289-L293 HydrophobicContact CG2-CD2 4.16Å; V289-L293 HydrophobicContact CG2-CG 3.99Å; V289-V523 HydrophobicContact CG1-CG2 4.31Å; V289-S662 WeakPolarHBondContact CG1-OG 3.48Å; V289-S662 WeakPolarHBondContact CG2-OG 3.28Å; V289-D663 VanDerWaalsContact CA-OD2 3.31Å; V289-D663 WeakPolarHBondContact CA-OD2 3.31Å
290L97.3Very high94.2Very high0 Ų016.7 Ų16.70%09%0.088CC..SBendtrans-99.6-37.8-177.4-175.266.2000112.7L200 V204 V247 L272 V274 D663 I681 F683L200-L290 HydrophobicContact CD2-CD2 3.91Å; L200-L290 HydrophobicContact CG-CD2 4.19Å; V204-L290 HydrophobicContact CG2-CD2 4.16Å; V247-L290 HydrophobicContact CG1-CD2 4.29Å; V247-L290 HydrophobicContact CG2-CD2 3.7Å; V247-L290 HydrophobicContact CG2-CG 4.34Å; L272-L290 HydrophobicContact CB-CD1 4.5Å; L272-L290 HydrophobicContact CD1-CD1 4.07Å; V274-L290 HydrophobicContact CG2-CD1 4.27Å; L290-D663 PolarHBondContact N-OD2 3.43Å; L290-I681 HydrophobicContact CD1-CG2 4.5Å; L290-F683 HydrophobicContact CD2-CZ 4.28Å
291T96.3Very high93.7Very high0 Ų016.3 Ų16.30%09%0.086CC..SBendtrans-114.2-57-170.671.60000112.9V247 V523 Q524 D663V247-T291 HydrophobicContact CG2-CG2 3.42Å; V247-T291 VanDerWaalsContact CG2-CG2 3.42Å; T291-V523 WeakPolarHBondContact O-CB 3.3Å; T291-V523 PolarHBondContact O-N 2.95Å; T291-Q524 PolarHBondContact O-N 2.81Å; T291-D663 WeakPolarHBondContact CA-OD1 3.37Å; T291-D663 WeakPolarHBondContact CB-OD1 3.45Å; T291-D663 PolarHBondContact N-OD1 2.9Å; T291-D663 PolarHBondContact OG1-OD1 3.34Å
292M96Very high93.4Very high7 Ų712.7 Ų12.73%0.0347%0.066CC..EExtended strand (participates in β ladder)trans-158.1161.3-17883.3177.173.400114.1V289 I440 A521 F522 C526 S662 D663V289-M292 VanDerWaalsContact CG1-O 3.32Å; V289-M292 WeakPolarHBondContact CG1-O 3.34Å; M292-I440 HydrophobicContact CE-CD1 3.33Å; M292-I440 HydrophobicContact CE-CG1 4.14Å; M292-I440 HydrophobicContact CG-CD1 4.46Å; M292-I440 HydrophobicContact SD-CD1 4.37Å; M292-A521 CarbonylContact C-O 3.49Å; M292-A521 WeakPolarHBondContact CA-O 3.31Å; M292-F522 HydrophobicContact CB-CD1 3.78Å; M292-F522 HydrophobicContact CB-CE1 4.21Å; M292-F522 HydrophobicContact CE-CD1 4.17Å; M292-F522 HydrophobicContact CE-CE1 3.81Å; M292-F522 HydrophobicContact SD-CD1 4.24Å; M292-F522 HydrophobicContact SD-CE1 3.7Å; M292-C526 HydrophobicContact CE-CB 3.74Å; M292-C526 WeakPolarHBondContact CE-SG 3.48Å; M292-S662 VanDerWaalsContact O-CA 3.26Å; M292-S662 WeakPolarHBondContact O-CA 3.48Å; M292-S662 WeakPolarHBondContact O-CB 3.25Å; M292-S662 PolarHBondContact O-OG 2.77Å; M292-D663 PolarHBondContact N-OD1 2.78Å; M292-D663 PolarHBondContact O-N 3.39Å
293L97.5Very high93Very high0 Ų013 Ų130%06%0.061CC..EExtended strand (participates in β ladder)trans-117149.9157.1-56.397000110.8V275 V277 V289 N520 A521 W660 C661 I667 I672V275-L293 HydrophobicContact CG1-CD1 4.25Å; V277-L293 HydrophobicContact CG1-CD2 4.42Å; V277-L293 HydrophobicContact CG2-CD2 3.71Å; V289-L293 HydrophobicContact CB-CD1 4.15Å; V289-L293 HydrophobicContact CB-CG 4.48Å; V289-L293 HydrophobicContact CG1-CD1 3.76Å; V289-L293 HydrophobicContact CG1-CG 4.04Å; V289-L293 HydrophobicContact CG2-CD1 4.07Å; V289-L293 HydrophobicContact CG2-CD2 4.16Å; V289-L293 HydrophobicContact CG2-CG 3.99Å; L293-N520 CarbonylContact O-C 3.5Å; L293-N520 VanDerWaalsContact O-CA 3.29Å; L293-N520 WeakPolarHBondContact O-CA 3.35Å; L293-A521 HydrophobicContact CB-CB 4.25Å; L293-A521 HydrophobicContact CD1-CB 4.09Å; L293-A521 PolarHBondContact N-O 2.68Å; L293-A521 PolarHBondContact O-N 3.43Å; L293-W660 HydrophobicContact CB-CE3 3.87Å; L293-W660 HydrophobicContact CB-CZ3 3.97Å; L293-W660 HydrophobicContact CD2-CE3 4.39Å; L293-C661 CarbonylContact C-O 3.55Å; L293-C661 VanDerWaalsContact CA-O 3.31Å; L293-C661 WeakPolarHBondContact CA-O 3.1Å; L293-I667 HydrophobicContact CD2-CD1 4.2Å; L293-I672 HydrophobicContact CD2-CD1 3.96Å
294G96.4Very high92Very high0 Ų013.7 Ų13.70%06%0.064CC..EExtended strand (participates in β ladder)trans-141.7139.3173.300000113.2I519 W660 C661G294-I519 CarbonylContact C-O 3.57Å; G294-I519 WeakPolarHBondContact CA-O 3.45Å; G294-W660 CarbonylContact O-C 3.5Å; G294-W660 WeakPolarHBondContact O-CA 3.43Å; G294-C661 PolarHBondContact N-O 2.86Å; G294-C661 PolarHBondContact O-N 3.2Å; G294-C661 PolarHBondContact O-SG 3.01Å
295Y96.1Very high90.6Very high4 Ų411.6 Ų11.62%0.0165%0.052CC..EExtended strand (participates in β ladder)trans-127.3146.6176-177.9-94.4000110Y330 A518 I519 F594 T658 I659 W660Y295-Y330 HydrophobicContact CE1-CG 4.3Å; Y295-A518 CarbonylContact O-C 3.4Å; Y295-A518 VanDerWaalsContact O-CA 3.28Å; Y295-A518 WeakPolarHBondContact O-CA 3.14Å; Y295-I519 HydrophobicContact CD1-CD1 3.93Å; Y295-I519 HydrophobicContact CD1-CG1 4.49Å; Y295-I519 PolarHBondContact N-O 3.38Å; Y295-I519 PolarHBondContact O-N 2.91Å; Y295-F594 HydrophobicContact CD1-CE1 4.1Å; Y295-F594 HydrophobicContact CD1-CZ 4.05Å; Y295-F594 HydrophobicContact CD2-CE1 4.12Å; Y295-F594 AromaticContact CE1-CE1 3.68Å; Y295-F594 HydrophobicContact CE1-CE1 3.68Å; Y295-F594 AromaticContact CE1-CZ 3.55Å; Y295-F594 HydrophobicContact CE1-CZ 3.55Å; Y295-F594 HydrophobicContact CE2-CD1 4.5Å; Y295-F594 AromaticContact CE2-CE1 3.69Å; Y295-F594 HydrophobicContact CE2-CE1 3.69Å; Y295-F594 HydrophobicContact CE2-CZ 4.42Å; Y295-F594 HydrophobicContact CG-CE1 4.31Å; Y295-F594 AromaticContact CZ-CE1 3.46Å; Y295-F594 VanDerWaalsContact CZ-CE1 3.46Å; Y295-F594 AromaticContact CZ-CZ 3.77Å; Y295-T658 HydrophobicContact CD1-CG2 3.97Å; Y295-T658 HydrophobicContact CD2-CG2 4Å; Y295-T658 HydrophobicContact CE1-CG2 3.48Å; Y295-T658 VanDerWaalsContact CE1-CG2 3.48Å; Y295-T658 HydrophobicContact CE2-CG2 3.52Å; Y295-T658 WeakPolarHBondContact CE2-O 3.27Å; Y295-T658 HydrophobicContact CG-CG2 4.2Å; Y295-I659 WeakPolarHBondContact CD2-O 3.1Å; Y295-W660 AromaticContact CD2-CD1 3.55Å; Y295-W660 AromaticContact CD2-CD2 3.91Å; Y295-W660 HydrophobicContact CD2-CD2 3.91Å; Y295-W660 AromaticContact CD2-CE2 3.63Å; Y295-W660 AromaticContact CD2-CG 3.84Å; Y295-W660 HydrophobicContact CD2-CG 3.84Å; Y295-W660 HydrophobicContact CD2-CZ2 4.28Å; Y295-W660 AromaticContact CD2-NE1 3.37Å; Y295-W660 AromaticContact CE2-NE1 3.92Å; Y295-W660 HydrophobicContact CG-CD2 4.2Å; Y295-W660 AromaticContact CG-CE2 3.89Å; Y295-W660 HydrophobicContact CG-CZ2 4.13Å
296G94Very high88.8Confident0 Ų012.5 Ų12.50%06%0.057CC..EExtended strand (participates in β ladder)trans82.7-125-17700000111.8H298 S299 D300G296-H298 VanDerWaalsContact C-N 3.28Å; G296-H298 PolarHBondContact O-N 2.78Å; G296-S299 PolarHBondContact N-OG 3.43Å; G296-S299 PolarHBondContact O-N 2.59Å; G296-S299 PolarHBondContact O-OG 3.06Å; G296-D300 WeakPolarHBondContact O-CB 3.26Å; G296-D300 PolarHBondContact O-N 2.81Å
297F91.4Very high87Confident19 Ų1918 Ų188%0.0838%0.079CC..Hα-helixtrans-49.9-45.6-174.3179-98.1000113.6D300 L301 T323 L324 L438 L517 A518 F559 L563F297-D300 PolarHBondContact O-N 3.39Å; F297-L301 WeakPolarHBondContact O-CB 3.34Å; F297-L301 PolarHBondContact O-N 3.41Å; F297-T323 HydrophobicContact CD2-CG2 3.65Å; F297-T323 HydrophobicContact CE2-CG2 3.72Å; F297-T323 HydrophobicContact CG-CG2 4.43Å; F297-L324 HydrophobicContact CE2-CB 4.39Å; F297-L438 HydrophobicContact CE1-CD1 4.01Å; F297-L517 PolarHBondContact N-O 3.37Å; F297-A518 HydrophobicContact CB-CB 3.97Å; F297-F559 HydrophobicContact CB-CZ 4.05Å; F297-F559 HydrophobicContact CD1-CE1 4.1Å; F297-F559 AromaticContact CD1-CZ 3.65Å; F297-F559 HydrophobicContact CD1-CZ 3.65Å; F297-F559 AromaticContact CD2-CE1 3.51Å; F297-F559 HydrophobicContact CD2-CE1 3.51Å; F297-F559 AromaticContact CD2-CZ 3.78Å; F297-F559 HydrophobicContact CD2-CZ 3.78Å; F297-F559 HydrophobicContact CE1-CE1 4.12Å; F297-F559 AromaticContact CE1-CZ 3.99Å; F297-F559 HydrophobicContact CE1-CZ 3.99Å; F297-F559 AromaticContact CE2-CE1 3.56Å; F297-F559 HydrophobicContact CE2-CE1 3.56Å; F297-F559 HydrophobicContact CE2-CZ 4.12Å; F297-F559 AromaticContact CG-CE1 3.8Å; F297-F559 HydrophobicContact CG-CE1 3.8Å; F297-F559 AromaticContact CG-CZ 3.53Å; F297-F559 HydrophobicContact CG-CZ 3.53Å; F297-F559 AromaticContact CZ-CE1 3.86Å; F297-F559 HydrophobicContact CZ-CE1 3.86Å; F297-F559 HydrophobicContact CZ-CZ 4.21Å; F297-L563 HydrophobicContact CE1-CD1 4.28Å; F297-L563 HydrophobicContact CE1-CD2 4.23Å; F297-L563 HydrophobicContact CZ-CD1 4.03Å
298H88.1Confident85.2Confident7 Ų719.7 Ų19.73%0.0329%0.085CC..Hα-helixtrans-68.1-43-175.5-17049.3000112.3G296 L301 L302 L438 C661G296-H298 VanDerWaalsContact C-N 3.28Å; G296-H298 PolarHBondContact O-N 2.78Å; H298-L301 WeakPolarHBondContact O-CB 3.16Å; H298-L301 PolarHBondContact O-N 3.31Å; H298-L302 PolarHBondContact O-N 2.82Å; H298-L302 VanDerWaalsContact O-N 3.09Å; H298-L438 PolarHBondContact CE1-O 2.96Å; H298-C661 PolarHBondContact CD2-SG 3.15Å
299S89.6Confident83.4Confident0 Ų022 Ų220%09%0.094CC..Hα-helixtrans-72.2-33.8177.259.80000112.7G296 L301 L302 R303 T658 I659 C661G296-S299 PolarHBondContact N-OG 3.43Å; G296-S299 PolarHBondContact O-N 2.59Å; G296-S299 PolarHBondContact O-OG 3.06Å; S299-L301 VanDerWaalsContact C-N 3.34Å; S299-L302 PolarHBondContact O-N 3.06Å; S299-R303 VanDerWaalsContact O-CB 3.25Å; S299-R303 WeakPolarHBondContact O-CB 3.44Å; S299-R303 PolarHBondContact O-N 3.23Å; S299-T658 PolarHBondContact OG-OG1 3.01Å; S299-I659 WeakPolarHBondContact CB-O 3.31Å; S299-I659 PolarHBondContact OG-O 3.06Å; S299-C661 VanDerWaalsContact CA-SG 3.54Å
300D89.6Confident81.6Confident3 Ų332.1 Ų32.12%0.01613%0.132CC..Hα-helixtrans-65-39173.4-75.5-29.1000112G296 F297 R303 N304 T323 Y330 T658G296-D300 WeakPolarHBondContact O-CB 3.26Å; G296-D300 PolarHBondContact O-N 2.81Å; F297-D300 PolarHBondContact O-N 3.39Å; D300-R303 IonicContact OD1-CZ 2.73Å; D300-R303 IonicContact OD1-NE 3.43Å; D300-R303 IonicContact OD1-NH2 3.24Å; D300-R303 PolarHBondContact OD1-NH2 2.95Å; D300-N304 WeakPolarHBondContact O-CB 3.4Å; D300-N304 PolarHBondContact O-N 2.82Å; D300-N304 VanDerWaalsContact O-N 3.09Å; D300-N304 PolarHBondContact O-ND2 3.45Å; D300-T323 HydrophobicContact CB-CG2 3.75Å; D300-Y330 WeakPolarHBondContact OD2-CE2 3.49Å; D300-Y330 PolarHBondContact OD2-OH 3.46Å; D300-T658 PolarHBondContact OD1-OG1 3.28Å
301L84.9Confident79Confident14 Ų1434.8 Ų34.87%0.07315%0.146CC..Hα-helixtrans-60.2-53.5173.1178.262.8000110.4F297 H298 S299 R303 N304 D305 S319 T323F297-L301 WeakPolarHBondContact O-CB 3.34Å; F297-L301 PolarHBondContact O-N 3.41Å; H298-L301 WeakPolarHBondContact O-CB 3.16Å; H298-L301 PolarHBondContact O-N 3.31Å; S299-L301 VanDerWaalsContact C-N 3.34Å; L301-R303 PolarHBondContact O-N 3.21Å; L301-N304 WeakPolarHBondContact O-CB 3.49Å; L301-N304 PolarHBondContact O-N 3.03Å; L301-N304 VanDerWaalsContact O-N 3.12Å; L301-D305 PolarHBondContact O-N 3.03Å; L301-S319 VanDerWaalsContact CD1-C 3.48Å; L301-T323 HydrophobicContact CB-CG2 4.42Å
302L83.2Confident76.9Confident3 Ų336.2 Ų36.22%0.01616%0.16CC..Hα-helixtrans-60.2-43.9-179.5-174.667.2000112.1H298 S299 N304 D305 D306 C661 L666H298-L302 PolarHBondContact O-N 2.82Å; H298-L302 VanDerWaalsContact O-N 3.09Å; S299-L302 PolarHBondContact O-N 3.06Å; L302-N304 VanDerWaalsContact C-N 3.26Å; L302-N304 PolarHBondContact O-N 2.99Å; L302-D305 WeakPolarHBondContact O-CB 3.4Å; L302-D305 PolarHBondContact O-N 3.38Å; L302-D306 PolarHBondContact O-N 2.87Å; L302-C661 HydrophobicContact CD2-CB 3.55Å; L302-L666 HydrophobicContact CB-CD2 4.36Å; L302-L666 HydrophobicContact CD2-CD2 3.96Å; L302-L666 HydrophobicContact CD2-CG 4.3Å; L302-L666 HydrophobicContact CG-CD2 4.28Å
303R81.9Confident74.8Confident88 Ų8840.7 Ų40.733%0.33219%0.19SC..Hα-helixtrans-61.6-33.5176.9-177.3174.763.9166.6-6112.9S299 D300 L301 L666S299-R303 VanDerWaalsContact O-CB 3.25Å; S299-R303 WeakPolarHBondContact O-CB 3.44Å; S299-R303 PolarHBondContact O-N 3.23Å; D300-R303 IonicContact OD1-CZ 2.73Å; D300-R303 IonicContact OD1-NE 3.43Å; D300-R303 IonicContact OD1-NH2 3.24Å; D300-R303 PolarHBondContact OD1-NH2 2.95Å; L301-R303 PolarHBondContact O-N 3.21Å; R303-L666 HydrophobicContact CB-CD1 4.09Å; R303-L666 HydrophobicContact CB-CD2 4.2Å; R303-L666 HydrophobicContact CG-CD1 4.25Å
304N71.1Confident72.7Confident18 Ų1846.5 Ų46.510%0.09622%0.217CC..Hα-helixtrans-73.9-32.6174.3-79.5-47000111.8D300 L301 L302 R308 K322 T323D300-N304 WeakPolarHBondContact O-CB 3.4Å; D300-N304 PolarHBondContact O-N 2.82Å; D300-N304 VanDerWaalsContact O-N 3.09Å; D300-N304 PolarHBondContact O-ND2 3.45Å; L301-N304 WeakPolarHBondContact O-CB 3.49Å; L301-N304 PolarHBondContact O-N 3.03Å; L301-N304 VanDerWaalsContact O-N 3.12Å; L302-N304 VanDerWaalsContact C-N 3.26Å; L302-N304 PolarHBondContact O-N 2.99Å; N304-R308 WeakPolarHBondContact O-CD 3.32Å; N304-K322 PolarHBondContact OD1-NZ 3.21Å; N304-T323 PolarHBondContact ND2-OG1 3.4Å
305D64.2Low70.7Confident0 Ų047 Ų470%022%0.219CC..Hα-helixtrans-72.8-39.6179.2-78.7-20.8000113.9L301 L302 K307 R308 R309 Y316 S319L301-D305 PolarHBondContact O-N 3.03Å; L302-D305 WeakPolarHBondContact O-CB 3.4Å; L302-D305 PolarHBondContact O-N 3.38Å; D305-K307 VanDerWaalsContact C-N 3.33Å; D305-K307 PolarHBondContact O-N 2.94Å; D305-R308 CarbonylContact O-C 3.51Å; D305-R308 WeakPolarHBondContact O-CA 3.33Å; D305-R308 PolarHBondContact O-N 2.96Å; D305-R309 PolarHBondContact O-N 3.41Å; D305-Y316 WeakPolarHBondContact OD2-CD1 3.4Å; D305-S319 WeakPolarHBondContact OD1-CB 3.38Å; D305-S319 PolarHBondContact OD1-OG 3.36Å
306D58.4Low68.7Low33 Ų3347.9 Ų47.918%0.17622%0.222CC..Hα-helixtrans-62-40.9-177.7-82.4-18.8000112.1L302 R308 R309L302-D306 PolarHBondContact O-N 2.87Å; D306-R308 PolarHBondContact O-N 3.45Å; D306-R309 IonicContact OD1-NH1 3.12Å; D306-R309 PolarHBondContact OD1-NH1 3.07Å
307K59.4Low67.3Low166 Ų16650.5 Ų50.572%0.72224%0.236SC*.THydrogen-bonded Turntrans-64.7-9.1175.8-64.6-173.8178.7-173.40114.1D305D305-K307 VanDerWaalsContact C-N 3.33Å; D305-K307 PolarHBondContact O-N 2.94Å
308R58.7Low66.1Low51 Ų5155.6 Ų55.619%0.19226%0.256CS..THydrogen-bonded Turntrans-133.618.8-165.5-77.8172.3176.9173.8-12.7113.3N304 D305 D306 W310 M311 Y318N304-R308 WeakPolarHBondContact O-CD 3.32Å; D305-R308 CarbonylContact O-C 3.51Å; D305-R308 WeakPolarHBondContact O-CA 3.33Å; D305-R308 PolarHBondContact O-N 2.96Å; D306-R308 PolarHBondContact O-N 3.45Å; R308-W310 PolarHBondContact O-N 3.48Å; R308-W310 VanDerWaalsContact O-N 3.13Å; R308-M311 HydrophobicContact CB-CE 3.62Å; R308-M311 HydrophobicContact CG-CE 3.78Å; R308-M311 WeakPolarHBondContact O-CB 3.41Å; R308-M311 PolarHBondContact O-N 3.47Å; R308-Y318 PolarHBondContact NH2-OH 3.26Å
309R59.7Low65.1Low50 Ų5055.3 Ų55.319%0.18925%0.254CS..G310 helixtrans-56.4-29.6-178.7-157.8159.3-165.997.720113.5D305 D306 M311 G312 S441 S442 I444D305-R309 PolarHBondContact O-N 3.41Å; D306-R309 IonicContact OD1-NH1 3.12Å; D306-R309 PolarHBondContact OD1-NH1 3.07Å; R309-M311 PolarHBondContact O-N 3.34Å; R309-M311 VanDerWaalsContact O-N 3.15Å; R309-G312 PolarHBondContact O-N 2.82Å; R309-S441 PolarHBondContact NH1-OG 3.41Å; R309-S441 PolarHBondContact NH2-OG 2.89Å; R309-S442 PolarHBondContact NH1-O 3.06Å; R309-S442 VanDerWaalsContact NH1-O 3.1Å; R309-S442 PolarHBondContact NH2-O 3.26Å; R309-I444 VanDerWaalsContact CD-O 3.23Å; R309-I444 WeakPolarHBondContact CD-O 3.38Å; R309-I444 PolarHBondContact NE-O 2.79Å; R309-I444 VanDerWaalsContact NE-O 3.12Å
310W60.2Low64.4Low211 Ų21156.2 Ų56.280%0.79926%0.264SS*.G310 helixtrans-58.9-21.2174.367.4-95.5000114.4R308R308-W310 PolarHBondContact O-N 3.48Å; R308-W310 VanDerWaalsContact O-N 3.13Å
311M41.9Very low63.8Low57 Ų5760.9 Ų60.928%0.28129%0.288SS..G310 helixtrans-82.5-6.1-178.1-67-161.1-68.700114.9R308 R309 R315R308-M311 HydrophobicContact CB-CE 3.62Å; R308-M311 HydrophobicContact CG-CE 3.78Å; R308-M311 WeakPolarHBondContact O-CB 3.41Å; R308-M311 PolarHBondContact O-N 3.47Å; R309-M311 PolarHBondContact O-N 3.34Å; R309-M311 VanDerWaalsContact O-N 3.15Å; M311-R315 HydrophobicContact CB-CB 4.2Å; M311-R315 HydrophobicContact CE-CB 4.28Å
312G52.8Low63.6Low30 Ų3063 Ų6331%0.30930%0.297SS..THydrogen-bonded Turntrans62.2-151.8-176.900000113.3R309 Q314 R315R309-G312 PolarHBondContact O-N 2.82Å; G312-Q314 VanDerWaalsContact C-N 3.26Å; G312-Q314 PolarHBondContact O-N 3Å; G312-Q314 VanDerWaalsContact O-N 3.15Å; G312-R315 WeakPolarHBondContact O-CB 3.44Å; G312-R315 WeakPolarHBondContact O-CD 3.28Å; G312-R315 WeakPolarHBondContact O-CG 3.3Å; G312-R315 PolarHBondContact O-N 3.33Å; G312-R315 VanDerWaalsContact O-N 3.1Å
313P52.2Low63.5Low100 Ų10063 Ų6365%0.64930%0.297SS*.THydrogen-bonded Turntrans-59.1-27.5-172.3-25.734.4000115.7R315 Y316P313-R315 PolarHBondContact O-N 3.18Å; P313-R315 VanDerWaalsContact O-N 3.14Å; P313-Y316 WeakPolarHBondContact O-CD2 3.36Å; P313-Y316 PolarHBondContact O-N 3.22Å
314Q52.4Low63.6Low123 Ų12360.3 Ų60.358%0.57529%0.289SS*.Hα-helixtrans-63.5-18.6178.3-70.4-64.8-22.200112.9G312 Y316 N317 Y318G312-Q314 VanDerWaalsContact C-N 3.26Å; G312-Q314 PolarHBondContact O-N 3Å; G312-Q314 VanDerWaalsContact O-N 3.15Å; Q314-Y316 PolarHBondContact O-N 3.34Å; Q314-N317 PolarHBondContact O-N 3.01Å; Q314-N317 PolarHBondContact OE1-ND2 2.81Å; Q314-Y318 PolarHBondContact O-N 3.23Å
315R54.5Low64.3Low11 Ų1164.4 Ų64.44%0.04231%0.31CS..Hα-helixtrans-57.3-36.4176.278-169.5177.2149.4-3.8112.4M311 G312 P313 N317 Y318 S319 S441M311-R315 HydrophobicContact CB-CB 4.2Å; M311-R315 HydrophobicContact CE-CB 4.28Å; G312-R315 WeakPolarHBondContact O-CB 3.44Å; G312-R315 WeakPolarHBondContact O-CD 3.28Å; G312-R315 WeakPolarHBondContact O-CG 3.3Å; G312-R315 PolarHBondContact O-N 3.33Å; G312-R315 VanDerWaalsContact O-N 3.1Å; P313-R315 PolarHBondContact O-N 3.18Å; P313-R315 VanDerWaalsContact O-N 3.14Å; R315-N317 PolarHBondContact O-N 2.9Å; R315-Y318 PolarHBondContact O-N 3.2Å; R315-S319 VanDerWaalsContact O-CB 3.26Å; R315-S319 WeakPolarHBondContact O-CB 3.17Å; R315-S319 PolarHBondContact O-N 3.44Å; R315-S319 PolarHBondContact O-OG 3.12Å; R315-S441 PolarHBondContact NH2-OG 3Å
316Y55.3Low65.3Low21 Ų2168.7 Ų68.78%0.08233%0.33CS..Hα-helixtrans-65.9-41-177.2-57.3-58.8000111.4D305 P313 Q314 G320 S439D305-Y316 WeakPolarHBondContact OD2-CD1 3.4Å; P313-Y316 WeakPolarHBondContact O-CD2 3.36Å; P313-Y316 PolarHBondContact O-N 3.22Å; Q314-Y316 PolarHBondContact O-N 3.34Å; Y316-G320 VanDerWaalsContact O-CA 3.26Å; Y316-G320 WeakPolarHBondContact O-CA 3.47Å; Y316-G320 PolarHBondContact O-N 3.43Å; Y316-S439 VanDerWaalsContact CD1-OG 3.23Å; Y316-S439 WeakPolarHBondContact CD1-OG 3.46Å; Y316-S439 WeakPolarHBondContact CE1-OG 3.3Å
317N64.4Low66.7Low56 Ų5668.8 Ų68.830%0.29933%0.33SS..Hα-helixtrans-62.1-49.5176.1-70.9-13.1000111.4Q314 R315 L321Q314-N317 PolarHBondContact O-N 3.01Å; Q314-N317 PolarHBondContact OE1-ND2 2.81Å; R315-N317 PolarHBondContact O-N 2.9Å; N317-L321 VanDerWaalsContact O-CB 3.28Å; N317-L321 WeakPolarHBondContact O-CB 3.15Å; N317-L321 PolarHBondContact O-N 2.85Å
318Y66.2Low68.3Low126 Ų12661.6 Ų61.649%0.49430%0.301SS..Hα-helixtrans-68.8-52-178.6-178.7-74.8000112R308 Q314 R315 G320 L321 K322R308-Y318 PolarHBondContact NH2-OH 3.26Å; Q314-Y318 PolarHBondContact O-N 3.23Å; R315-Y318 PolarHBondContact O-N 3.2Å; Y318-G320 VanDerWaalsContact C-N 3.28Å; Y318-G320 PolarHBondContact O-N 3.46Å; Y318-L321 PolarHBondContact O-N 2.79Å; Y318-K322 HydrophobicContact CD1-CB 4.46Å; Y318-K322 HydrophobicContact CE1-CB 4.06Å; Y318-K322 HydrophobicContact CE1-CD 3.94Å; Y318-K322 WeakPolarHBondContact O-CB 3.46Å; Y318-K322 PolarHBondContact O-N 3.48Å
319S67.4Low70Confident0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-66.1-36.1-178.2-63.50000111.1L301 D305 R315 T323L301-S319 VanDerWaalsContact CD1-C 3.48Å; D305-S319 WeakPolarHBondContact OD1-CB 3.38Å; D305-S319 PolarHBondContact OD1-OG 3.36Å; R315-S319 VanDerWaalsContact O-CB 3.26Å; R315-S319 WeakPolarHBondContact O-CB 3.17Å; R315-S319 PolarHBondContact O-N 3.44Å; R315-S319 PolarHBondContact O-OG 3.12Å; S319-T323 VanDerWaalsContact O-CB 3.28Å; S319-T323 WeakPolarHBondContact O-CB 3.34Å; S319-T323 PolarHBondContact O-N 3.03Å; S319-T323 PolarHBondContact O-OG1 3.44Å
320G74.8Confident71.6Confident19 Ų1959.3 Ų59.320%0.19630%0.299CS..Hα-helixtrans-56.5-57.2170.200000111.1Y316 Y318 K322 T323 L324Y316-G320 VanDerWaalsContact O-CA 3.26Å; Y316-G320 WeakPolarHBondContact O-CA 3.47Å; Y316-G320 PolarHBondContact O-N 3.43Å; Y318-G320 VanDerWaalsContact C-N 3.28Å; Y318-G320 PolarHBondContact O-N 3.46Å; G320-K322 PolarHBondContact O-N 3.25Å; G320-T323 PolarHBondContact O-N 3.03Å; G320-L324 WeakPolarHBondContact O-CB 3.16Å; G320-L324 PolarHBondContact O-N 3.25Å
321L75.8Confident73.2Confident101 Ų10152.6 Ų52.653%0.52928%0.277SS..Hα-helixtrans-61.3-44179.8-177.162.1000112.3N317 Y318 L324 L325N317-L321 VanDerWaalsContact O-CB 3.28Å; N317-L321 WeakPolarHBondContact O-CB 3.15Å; N317-L321 PolarHBondContact O-N 2.85Å; Y318-L321 PolarHBondContact O-N 2.79Å; L321-L324 PolarHBondContact O-N 3.33Å; L321-L325 HydrophobicContact CD1-CD1 4.17Å; L321-L325 HydrophobicContact CD1-CG 4.12Å; L321-L325 HydrophobicContact CG-CD1 3.98Å; L321-L325 HydrophobicContact CG-CG 4.34Å; L321-L325 WeakPolarHBondContact O-CB 2.89Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.38Å; L321-L325 PolarHBondContact O-N 3.36Å
322K80.7Confident75.7Confident58 Ų5850 Ų5025%0.25226%0.264SS..Hα-helixtrans-60.9-49.7178.7178.6-175.8168.6-157.90111.4N304 Y318 G320 L324 L325 Q326N304-K322 PolarHBondContact OD1-NZ 3.21Å; Y318-K322 HydrophobicContact CD1-CB 4.46Å; Y318-K322 HydrophobicContact CE1-CB 4.06Å; Y318-K322 HydrophobicContact CE1-CD 3.94Å; Y318-K322 WeakPolarHBondContact O-CB 3.46Å; Y318-K322 PolarHBondContact O-N 3.48Å; G320-K322 PolarHBondContact O-N 3.25Å; K322-L324 VanDerWaalsContact C-N 3.3Å; K322-L324 PolarHBondContact O-N 2.83Å; K322-L325 PolarHBondContact O-N 3.01Å; K322-Q326 WeakPolarHBondContact O-CG 3.31Å; K322-Q326 PolarHBondContact O-N 3.04Å
323T82Confident77.8Confident4 Ų449.9 Ų49.93%0.02526%0.255CS..Hα-helixtrans-63.8-40.1-179.5-50.90000110.4F297 D300 L301 N304 S319 G320 Q326 H327F297-T323 HydrophobicContact CD2-CG2 3.65Å; F297-T323 HydrophobicContact CE2-CG2 3.72Å; F297-T323 HydrophobicContact CG-CG2 4.43Å; D300-T323 HydrophobicContact CB-CG2 3.75Å; L301-T323 HydrophobicContact CB-CG2 4.42Å; N304-T323 PolarHBondContact ND2-OG1 3.4Å; S319-T323 VanDerWaalsContact O-CB 3.28Å; S319-T323 WeakPolarHBondContact O-CB 3.34Å; S319-T323 PolarHBondContact O-N 3.03Å; S319-T323 PolarHBondContact O-OG1 3.44Å; G320-T323 PolarHBondContact O-N 3.03Å; T323-Q326 PolarHBondContact O-N 2.81Å; T323-H327 PolarHBondContact O-N 3.31Å; T323-H327 VanDerWaalsContact O-N 3.11Å
324L83.8Confident79.9Confident31 Ų3145.2 Ų45.216%0.16223%0.225CC..Hα-helixtrans-63.2-42.5175.5-176.766.3000112.7F297 G320 L321 K322 Q326 H327 F559 I560 L563F297-L324 HydrophobicContact CE2-CB 4.39Å; G320-L324 WeakPolarHBondContact O-CB 3.16Å; G320-L324 PolarHBondContact O-N 3.25Å; L321-L324 PolarHBondContact O-N 3.33Å; K322-L324 VanDerWaalsContact C-N 3.3Å; K322-L324 PolarHBondContact O-N 2.83Å; L324-Q326 VanDerWaalsContact C-N 3.33Å; L324-Q326 PolarHBondContact O-N 3.05Å; L324-H327 PolarHBondContact O-N 3.4Å; L324-F559 HydrophobicContact CD1-CD1 3.69Å; L324-F559 HydrophobicContact CD1-CE1 4.02Å; L324-I560 HydrophobicContact CD1-CD1 4.48Å; L324-I560 HydrophobicContact CD1-CG1 3.8Å; L324-I560 HydrophobicContact CD2-CD1 3.95Å; L324-I560 HydrophobicContact CD2-CG1 3.81Å; L324-I560 HydrophobicContact CG-CD1 4.46Å; L324-I560 HydrophobicContact CG-CG1 4.24Å; L324-L563 HydrophobicContact CD1-CD1 4.14Å
325L84.8Confident82Confident104 Ų10439.7 Ų39.755%0.54520%0.2SC..Hα-helixtrans-67.7-34.2177.1-72.8174.7000112.2L321 K322 H327 K556L321-L325 HydrophobicContact CD1-CD1 4.17Å; L321-L325 HydrophobicContact CD1-CG 4.12Å; L321-L325 HydrophobicContact CG-CD1 3.98Å; L321-L325 HydrophobicContact CG-CG 4.34Å; L321-L325 WeakPolarHBondContact O-CB 2.89Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.38Å; L321-L325 PolarHBondContact O-N 3.36Å; K322-L325 PolarHBondContact O-N 3.01Å; L325-H327 VanDerWaalsContact C-N 3.35Å; L325-K556 VanDerWaalsContact O-CE 3.28Å; L325-K556 WeakPolarHBondContact O-CE 3.29Å; L325-K556 PolarHBondContact O-NZ 2.78Å
326Q86.5Confident83.9Confident90 Ų9039.9 Ų39.942%0.42120%0.201SC..Hα-helixtrans-66.2-36.4175.5-75.4178.6-11.400112.4K322 T323 L324 A328K322-Q326 WeakPolarHBondContact O-CG 3.31Å; K322-Q326 PolarHBondContact O-N 3.04Å; T323-Q326 PolarHBondContact O-N 2.81Å; L324-Q326 VanDerWaalsContact C-N 3.33Å; L324-Q326 PolarHBondContact O-N 3.05Å; Q326-A328 PolarHBondContact O-N 2.87Å
327H88Confident85.7Confident36 Ų3639.4 Ų39.417%0.16720%0.2CC..  trans43.744.6174.1-156.473.7000112.7T323 L324 L325 C554 K556T323-H327 PolarHBondContact O-N 3.31Å; T323-H327 VanDerWaalsContact O-N 3.11Å; L324-H327 PolarHBondContact O-N 3.4Å; L325-H327 VanDerWaalsContact C-N 3.35Å; H327-C554 PolarHBondContact NE2-O 3.25Å; H327-K556 HydrophobicContact CB-CD 4.34Å; H327-K556 VanDerWaalsContact CB-CE 3.46Å; H327-K556 HydrophobicContact CB-CG 3.91Å
328A92Very high87Confident14 Ų1438.4 Ų38.412%0.11620%0.197CC..  trans-71.9143.5-175.200000110Q326 Y330 L517Q326-A328 PolarHBondContact O-N 2.87Å; A328-Y330 HydrophobicContact CB-CE2 3.92Å; A328-Y330 WeakPolarHBondContact CB-OH 3.43Å; A328-L517 WeakPolarHBondContact O-CD2 3.22Å
329S93.5Very high87.8Confident42 Ų4233.4 Ų33.429%0.29418%0.18SC..  trans-128152.217456.70000110.1F516S329-F516 CarbonylContact C-O 3.23Å; S329-F516 VanDerWaalsContact CA-O 3.25Å; S329-F516 WeakPolarHBondContact CA-O 3.4Å
330Y94.6Very high88Confident11 Ų1135.5 Ų35.54%0.04320%0.195CC..EExtended strand (participates in β ladder)trans-134.8131.8-167.9-56.4-79.7000109.4Y295 D300 A328 T515 F516 K656 T658Y295-Y330 HydrophobicContact CE1-CG 4.3Å; D300-Y330 WeakPolarHBondContact OD2-CE2 3.49Å; D300-Y330 PolarHBondContact OD2-OH 3.46Å; A328-Y330 HydrophobicContact CB-CE2 3.92Å; A328-Y330 WeakPolarHBondContact CB-OH 3.43Å; Y330-T515 WeakPolarHBondContact O-CA 3.3Å; Y330-F516 PolarHBondContact N-O 3.47Å; Y330-F516 PolarHBondContact O-N 2.83Å; Y330-K656 WeakPolarHBondContact CD1-O 3.38Å; Y330-K656 HydrophobicContact CE1-CB 3.95Å; Y330-T658 HydrophobicContact CD1-CG2 3.74Å; Y330-T658 HydrophobicContact CD2-CG2 3.62Å; Y330-T658 HydrophobicContact CE1-CG2 3.77Å; Y330-T658 HydrophobicContact CE2-CG2 3.65Å; Y330-T658 HydrophobicContact CG-CG2 3.66Å
331H94.1Very high87.8Confident71 Ų7135.7 Ų35.733%0.32919%0.191SC..EExtended strand (participates in β ladder)trans-87136.6176.7-170.1-70.9000110.6G514 Q597H331-G514 WeakPolarHBondContact CA-O 3.23Å; H331-Q597 VanDerWaalsContact CG-OE1 3.29Å; H331-Q597 PolarHBondContact ND1-OE1 2.99Å; H331-Q597 VanDerWaalsContact ND1-OE1 3.11Å; H331-Q597 PolarHBondContact O-N 3.18Å
332G94.1Very high87.2Confident1 Ų135.5 Ų35.51%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-162175.7174.700000113.2G514 V595G332-G514 PolarHBondContact N-O 3.27Å; G332-G514 PolarHBondContact O-N 2.86Å; G332-G514 VanDerWaalsContact O-N 3.15Å; G332-V595 VanDerWaalsContact CA-O 3.31Å; G332-V595 WeakPolarHBondContact CA-O 3.17Å
333E96Very high86.4Confident29 Ų2938.4 Ų38.414%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-116127.3176-178.7-179.6109.700109T511 R513 R593 F594 V595E333-T511 HydrophobicContact CG-CG2 3.38Å; E333-R513 HydrophobicContact CB-CG 4.15Å; E333-R513 HydrophobicContact CG-CG 3.93Å; E333-R513 IonicContact OE2-CZ 3.06Å; E333-R513 IonicContact OE2-NE 3.41Å; E333-R513 PolarHBondContact OE2-NE 3.14Å; E333-R513 IonicContact OE2-NH2 3.09Å; E333-R513 PolarHBondContact OE2-NH2 3.02Å; E333-R593 IonicContact OE1-NH1 3.34Å; E333-F594 CarbonylContact O-C 3.59Å; E333-F594 WeakPolarHBondContact O-CA 3.23Å; E333-F594 WeakPolarHBondContact O-CD2 3.32Å; E333-V595 HydrophobicContact CB-CB 4.45Å; E333-V595 PolarHBondContact N-O 2.75Å; E333-V595 PolarHBondContact O-N 3.19Å
334I96.7Very high85.5Confident1 Ų138.4 Ų38.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-114.3122178.3-60.3167.6000107.3F336 T511 I512 F516 I519 L548 L550 R593 F594I334-F336 HydrophobicContact CG2-CD1 4.27Å; I334-T511 CarbonylContact O-C 3.55Å; I334-T511 VanDerWaalsContact O-CA 3.26Å; I334-T511 WeakPolarHBondContact O-CA 3.14Å; I334-I512 PolarHBondContact N-O 2.71Å; I334-I512 PolarHBondContact O-N 3.04Å; I334-F516 HydrophobicContact CD1-CD2 4.4Å; I334-F516 HydrophobicContact CD1-CE1 4.18Å; I334-F516 HydrophobicContact CD1-CE2 3.82Å; I334-F516 HydrophobicContact CD1-CZ 3.69Å; I334-F516 HydrophobicContact CG1-CE2 4.36Å; I334-F516 HydrophobicContact CG1-CZ 4.49Å; I334-I519 HydrophobicContact CD1-CD1 3.71Å; I334-I519 HydrophobicContact CD1-CG1 4.12Å; I334-I519 HydrophobicContact CD1-CG2 4.34Å; I334-I519 HydrophobicContact CG1-CD1 4.25Å; I334-L548 HydrophobicContact CG2-CD2 3.89Å; I334-L550 HydrophobicContact CD1-CD1 3.7Å; I334-L550 HydrophobicContact CD1-CD2 3.36Å; I334-L550 HydrophobicContact CD1-CG 4.16Å; I334-R593 CarbonylContact C-O 3.57Å; I334-R593 WeakPolarHBondContact CA-O 3.35Å; I334-F594 HydrophobicContact CD1-CD2 4.44Å; I334-F594 HydrophobicContact CG1-CD2 3.51Å; I334-F594 HydrophobicContact CG1-CE2 4.06Å
335S96.6Very high84.7Confident8 Ų841.2 Ų41.26%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-110.5139.3168.2-57.70000109.4W509 H510 T511 F592 R593S335-W509 WeakPolarHBondContact O-CZ3 3.5Å; S335-H510 CarbonylContact C-O 3.59Å; S335-H510 WeakPolarHBondContact CA-O 3.43Å; S335-T511 PolarHBondContact OG-OG1 2.61Å; S335-F592 CarbonylContact O-C 3.52Å; S335-F592 VanDerWaalsContact O-CA 3.26Å; S335-F592 WeakPolarHBondContact O-CA 3.32Å; S335-R593 PolarHBondContact N-O 3.06Å; S335-R593 PolarHBondContact O-N 3.19Å
336F95.4Very high83.7Confident15 Ų1536.6 Ų36.67%0.06621%0.205CC..EExtended strand (participates in β ladder)trans-146.2155.5-178.660.6-87.8000113.4I334 P338 H510 I512 L548 M587 V589 A591 F592I334-F336 HydrophobicContact CG2-CD1 4.27Å; F336-P338 HydrophobicContact CE2-CB 4.48Å; F336-H510 HydrophobicContact CD1-CB 4.48Å; F336-H510 WeakPolarHBondContact CD1-O 3.37Å; F336-H510 HydrophobicContact CD2-CB 4.34Å; F336-H510 HydrophobicContact CE1-CB 3.91Å; F336-H510 HydrophobicContact CE2-CB 3.76Å; F336-H510 HydrophobicContact CZ-CB 3.5Å; F336-H510 PolarHBondContact N-O 3.1Å; F336-H510 PolarHBondContact O-N 3.31Å; F336-I512 HydrophobicContact CE1-CD1 3.75Å; F336-I512 HydrophobicContact CE1-CG1 4.06Å; F336-I512 HydrophobicContact CZ-CD1 4.26Å; F336-L548 HydrophobicContact CB-CD2 4.28Å; F336-M587 HydrophobicContact CD1-CE 4.38Å; F336-M587 HydrophobicContact CD1-SD 4.08Å; F336-M587 HydrophobicContact CD2-SD 4.41Å; F336-M587 HydrophobicContact CE1-CE 4.08Å; F336-M587 HydrophobicContact CE1-SD 3.35Å; F336-M587 WeakPolarHBondContact CE1-SD 3.26Å; F336-M587 HydrophobicContact CE2-CB 4.46Å; F336-M587 HydrophobicContact CE2-CG 4.42Å; F336-M587 HydrophobicContact CE2-SD 3.73Å; F336-M587 HydrophobicContact CZ-CE 4.41Å; F336-M587 HydrophobicContact CZ-CG 4.32Å; F336-M587 HydrophobicContact CZ-SD 3.15Å; F336-M587 WeakPolarHBondContact CZ-SD 3.4Å; F336-V589 HydrophobicContact CB-CB 4.27Å; F336-V589 HydrophobicContact CB-CG1 3.78Å; F336-V589 HydrophobicContact CD2-CG1 3.5Å; F336-V589 HydrophobicContact CE2-CG1 4.39Å; F336-V589 HydrophobicContact CG-CG1 3.87Å; F336-A591 WeakPolarHBondContact CA-O 3.41Å; F336-F592 HydrophobicContact CB-CB 3.96Å
337L93Very high82.4Confident10 Ų1036.1 Ų36.15%0.05221%0.211CC..EExtended strand (participates in β ladder)trans-100.9111.7170.5-70.6179000109.5T367 W509 V589 C590 A591L337-T367 HydrophobicContact CD1-CG2 4.08Å; L337-W509 HydrophobicContact CD1-CD2 4.5Å; L337-W509 HydrophobicContact CD1-CH2 4.34Å; L337-W509 HydrophobicContact CD1-CZ2 3.66Å; L337-W509 HydrophobicContact CD2-CB 4.46Å; L337-W509 HydrophobicContact CD2-CD2 3.78Å; L337-W509 HydrophobicContact CD2-CG 3.72Å; L337-W509 HydrophobicContact CD2-CZ2 4.43Å; L337-W509 HydrophobicContact CG-CD2 3.75Å; L337-W509 VanDerWaalsContact CG-CE2 3.5Å; L337-W509 HydrophobicContact CG-CE3 4.15Å; L337-W509 HydrophobicContact CG-CG 4.25Å; L337-W509 HydrophobicContact CG-CH2 4.13Å; L337-W509 HydrophobicContact CG-CZ2 3.71Å; L337-W509 HydrophobicContact CG-CZ3 4.34Å; L337-V589 CarbonylContact O-C 3.54Å; L337-V589 WeakPolarHBondContact O-CA 3.45Å; L337-V589 VanDerWaalsContact O-CB 3.27Å; L337-V589 WeakPolarHBondContact O-CB 3.23Å; L337-C590 VanDerWaalsContact CB-SG 3.53Å; L337-C590 PolarHBondContact O-N 2.85Å; L337-C590 PolarHBondContact O-SG 2.94Å; L337-A591 HydrophobicContact CB-CB 4.26Å; L337-A591 HydrophobicContact CD1-CB 3.99Å; L337-A591 HydrophobicContact CG-CB 4.34Å; L337-A591 PolarHBondContact N-O 3.24Å
338P90Very high81.2Confident36 Ų3637.7 Ų37.723%0.23422%0.221CC..EExtended strand (participates in β ladder)trans-70.1147.7-177.727.7-34.4000112.2F336F336-P338 HydrophobicContact CE2-CB 4.48Å
339C84.8Confident80.4Confident21 Ų2139 Ų3914%0.14224%0.236CC..  trans-53.1143.6171.8178.80000110.9H365 C545 K588C339-H365 PolarHBondContact SG-NE2 3.43Å; C339-C545 PolarHBondContact SG-SG 2.89Å; C339-K588 HydrophobicContact CB-CB 3.95Å; C339-K588 HydrophobicContact CB-CD 4.04Å; C339-K588 HydrophobicContact CB-CG 3.82Å; C339-K588 PolarHBondContact N-O 2.96Å
340S70.3Confident79.9Confident44 Ų4440.8 Ų40.831%0.30824%0.242SC..SBendtrans-88.5-18.5-176.2-41.90000115.4P342 H365 K507S340-P342 VanDerWaalsContact O-CD 3.28Å; S340-P342 WeakPolarHBondContact O-CD 3.32Å; S340-H365 VanDerWaalsContact CB-ND1 3.31Å; S340-H365 WeakPolarHBondContact CB-ND1 3.34Å; S340-H365 PolarHBondContact OG-ND1 3.44Å; S340-K507 WeakPolarHBondContact OG-CE 3.14Å; S340-K507 PolarHBondContact OG-NZ 3Å
341D71Confident79.5Confident22 Ų2241.8 Ų41.812%0.11825%0.249CC..  trans-91.7110.7-176-177.14.1000109.5N343 N344D341-N343 PolarHBondContact O-N 2.93Å; D341-N343 WeakPolarHBondContact OD1-CA 3.29Å; D341-N343 VanDerWaalsContact OD1-CB 3.28Å; D341-N343 WeakPolarHBondContact OD1-CB 3.47Å; D341-N343 PolarHBondContact OD1-N 2.96Å; D341-N344 HydrophobicContact CB-CB 3.77Å; D341-N344 PolarHBondContact O-N 2.85Å
342P62.7Low79.4Confident98 Ų9838.8 Ų38.864%0.63624%0.236SC*.THydrogen-bonded Turntrans-63.2-21.3175.226.3-33.1000112.7S340 N344S340-P342 VanDerWaalsContact O-CD 3.28Å; S340-P342 WeakPolarHBondContact O-CD 3.32Å; P342-N344 PolarHBondContact O-N 2.79Å
343N63.5Low79.2Confident119 Ų11940.2 Ų40.264%0.63624%0.243SC*.THydrogen-bonded Turntrans-79.8-8.2173.9-58-47.1000112.7D341 N348D341-N343 PolarHBondContact O-N 2.93Å; D341-N343 WeakPolarHBondContact OD1-CA 3.29Å; D341-N343 VanDerWaalsContact OD1-CB 3.28Å; D341-N343 WeakPolarHBondContact OD1-CB 3.47Å; D341-N343 PolarHBondContact OD1-N 2.96Å; N343-N348 PolarHBondContact O-ND2 2.91Å
344N63.5Low78.9Confident4 Ų441.2 Ų41.22%0.02125%0.253CS..  trans-111.865.6179.2-166.111.2000110.3D341 P342 D543 K588D341-N344 HydrophobicContact CB-CB 3.77Å; D341-N344 PolarHBondContact O-N 2.85Å; P342-N344 PolarHBondContact O-N 2.79Å; N344-D543 WeakPolarHBondContact ND2-CB 3.31Å; N344-D543 PolarHBondContact ND2-OD2 2.78Å; N344-D543 PolarHBondContact OD1-OD2 2.8Å; N344-K588 HydrophobicContact CB-CD 4.42Å; N344-K588 WeakPolarHBondContact O-CD 3.42Å; N344-K588 VanDerWaalsContact O-CE 3.29Å; N344-K588 WeakPolarHBondContact O-CE 3.26Å; N344-K588 WeakPolarHBondContact OD1-CE 3.35Å
345L68.2Low78.5Confident90 Ų9043.6 Ų43.647%0.47128%0.278SS..  trans-93.9142.3168.3-63162.8000108.7S347 N348L345-S347 PolarHBondContact O-N 2.78Å; L345-N348 PolarHBondContact N-ND2 3.3Å; L345-N348 PolarHBondContact O-N 2.91Å
346S62.8Low78.3Confident7 Ų743.9 Ų43.95%0.04928%0.28CS..THydrogen-bonded Turntrans-56.8-12.6172-43.50000112.9W538 D547 K588S346-W538 VanDerWaalsContact O-CB 3.31Å; S346-W538 WeakPolarHBondContact O-CB 3.49Å; S346-D547 WeakPolarHBondContact CB-OD1 3.45Å; S346-D547 PolarHBondContact OG-OD1 2.82Å; S346-K588 WeakPolarHBondContact OG-CB 3.17Å
347S60.1Low77.9Confident79 Ų7947.3 Ų47.355%0.55231%0.306SS*.THydrogen-bonded Turntrans-104.3-1.9179.559.60000114.8L345 G349L345-S347 PolarHBondContact O-N 2.78Å; S347-G349 PolarHBondContact O-N 2.98Å
348N62.8Low77.7Confident70 Ų7047.6 Ų47.637%0.37431%0.308SS..SBendtrans-70.9-1.6-175.1-78.8-8.5000113.9N343 L345 I350N343-N348 PolarHBondContact O-ND2 2.91Å; L345-N348 PolarHBondContact N-ND2 3.3Å; L345-N348 PolarHBondContact O-N 2.91Å; N348-I350 PolarHBondContact O-N 2.82Å
349G74.3Confident77.7Confident42 Ų4246.7 Ų46.743%0.43330%0.302SS..  trans81.2-8.5173.800000114.5S347 V351 W538S347-G349 PolarHBondContact O-N 2.98Å; G349-V351 PolarHBondContact O-N 2.9Å; G349-W538 VanDerWaalsContact C-NE1 3.34Å; G349-W538 VanDerWaalsContact CA-CD1 3.44Å; G349-W538 PolarHBondContact O-NE1 2.89Å
350I82.5Confident77.8Confident78 Ų7851.8 Ų51.840%0.432%0.324SS..  trans-76.8119.6-175.3-56177.7000110.3N348N348-I350 PolarHBondContact O-N 2.82Å
351V87.6Confident78.3Confident33 Ų3351 Ų5120%0.232%0.319CS..  trans-88.6128.3-179.3179.30000110G349 N353 M572G349-V351 PolarHBondContact O-N 2.9Å; V351-N353 PolarHBondContact O-N 2.91Å; V351-M572 HydrophobicContact CB-CE 4.22Å; V351-M572 HydrophobicContact CB-SD 4.11Å; V351-M572 HydrophobicContact CG1-CE 3.71Å; V351-M572 HydrophobicContact CG1-SD 3.57Å; V351-M572 VanDerWaalsContact CG1-SD 3.57Å; V351-M572 HydrophobicContact CG2-CB 4.34Å; V351-M572 HydrophobicContact CG2-CE 3.56Å; V351-M572 HydrophobicContact CG2-CG 4.48Å; V351-M572 HydrophobicContact CG2-SD 3.36Å; V351-M572 WeakPolarHBondContact CG2-SD 3.38Å
352C90.6Very high78.1Confident7 Ų756.3 Ų56.35%0.04735%0.347CS..  trans-68.3114.2172.9-168.90000110.7R527C352-R527 PolarHBondContact O-NH2 3.49Å
353N90.8Very high78.1Confident31 Ų3156 Ų5617%0.16634%0.339CS..  trans-131.9179.7178.4-71.9-32.8000109.9V351 G355 C356 P688V351-N353 PolarHBondContact O-N 2.91Å; N353-G355 PolarHBondContact O-N 2.78Å; N353-C356 VanDerWaalsContact O-CB 3.26Å; N353-C356 WeakPolarHBondContact O-CB 3.4Å; N353-C356 PolarHBondContact O-N 2.92Å; N353-P688 WeakPolarHBondContact CA-O 3.32Å; N353-P688 WeakPolarHBondContact CB-O 3.3Å
354S89.9Confident77.6Confident50 Ų5054.1 Ų54.135%0.3532%0.323SS..THydrogen-bonded Turntrans-56.9135.2170.5-178.40000111.4R686 P688S354-R686 WeakPolarHBondContact CA-O 3.4Å; S354-R686 VanDerWaalsContact CB-O 3.22Å; S354-R686 WeakPolarHBondContact CB-O 3.37Å; S354-R686 PolarHBondContact OG-O 2.85Å; S354-P688 PolarHBondContact N-O 2.95Å
355G89.1Confident77.1Confident51 Ų5155 Ų5553%0.52633%0.327SS..THydrogen-bonded Turntrans71.728.1-175.300000114.6N353 S357 E360N353-G355 PolarHBondContact O-N 2.78Å; G355-S357 PolarHBondContact O-N 2.99Å; G355-S357 VanDerWaalsContact O-N 3.16Å; G355-E360 WeakPolarHBondContact CA-OE1 3.37Å
356C90.6Very high75.8Confident15 Ų1555.8 Ų55.810%0.10133%0.329CS..  trans-64.6113.8-176.7-1790000112.2N353 V358 C359 E360 H540N353-C356 VanDerWaalsContact O-CB 3.26Å; N353-C356 WeakPolarHBondContact O-CB 3.4Å; N353-C356 PolarHBondContact O-N 2.92Å; C356-V358 VanDerWaalsContact C-N 3.29Å; C356-V358 PolarHBondContact O-N 3.37Å; C356-C359 HydrophobicContact CB-CB 4.07Å; C356-C359 PolarHBondContact O-N 3.23Å; C356-C359 VanDerWaalsContact O-N 3.16Å; C356-E360 WeakPolarHBondContact O-CB 3.35Å; C356-E360 WeakPolarHBondContact O-CG 3.48Å; C356-E360 PolarHBondContact O-N 3.08Å; C356-H540 PolarHBondContact SG-CE1 3.24Å; C356-H540 PolarHBondContact SG-ND1 3.16Å
357S87.7Confident74.9Confident86 Ų8657.4 Ų57.460%0.60134%0.338SS*.Hα-helixtrans-59.9-33.1-179.956.80000114.4G355 E360 S361G355-S357 PolarHBondContact O-N 2.99Å; G355-S357 VanDerWaalsContact O-N 3.16Å; S357-E360 PolarHBondContact O-N 3.21Å; S357-S361 PolarHBondContact O-N 3.24Å
358V88.2Confident73.8Confident16 Ų1658.1 Ų58.110%0.09734%0.336CS..Hα-helixtrans-65.8-48.6176.1-177.80000110.2C356 E360 S361 D543C356-V358 VanDerWaalsContact C-N 3.29Å; C356-V358 PolarHBondContact O-N 3.37Å; V358-E360 VanDerWaalsContact C-N 3.35Å; V358-S361 WeakPolarHBondContact O-CB 3.48Å; V358-S361 PolarHBondContact O-N 3.14Å; V358-S361 PolarHBondContact O-OG 2.95Å; V358-D543 HydrophobicContact CG1-CB 3.96Å
359C90.6Very high72.8Confident18 Ų1858.9 Ų58.912%0.12234%0.34CS..Hα-helixtrans-67-35.9176.7-64.20000111.6C356 S361 K679C356-C359 HydrophobicContact CB-CB 4.07Å; C356-C359 PolarHBondContact O-N 3.23Å; C356-C359 VanDerWaalsContact O-N 3.16Å; C359-S361 VanDerWaalsContact C-N 3.32Å; C359-S361 PolarHBondContact O-N 3.08Å; C359-K679 WeakPolarHBondContact O-CE 3.28Å; C359-K679 PolarHBondContact O-NZ 2.72Å
360E86.5Confident71.2Confident127 Ų12759.8 Ų59.859%0.59334%0.34SS*.Hα-helixtrans-73.1-23.3178.9-75.4179.3-171.700113.4G355 C356 S357 V358G355-E360 WeakPolarHBondContact CA-OE1 3.37Å; C356-E360 WeakPolarHBondContact O-CB 3.35Å; C356-E360 WeakPolarHBondContact O-CG 3.48Å; C356-E360 PolarHBondContact O-N 3.08Å; S357-E360 PolarHBondContact O-N 3.21Å; V358-E360 VanDerWaalsContact C-N 3.35Å
361S80.8Confident69.4Low28 Ų2858.2 Ų58.220%0.19633%0.332CS..  trans-53.4144.3176.877.90000111.6S357 V358 C359 R678 K679S357-S361 PolarHBondContact O-N 3.24Å; V358-S361 WeakPolarHBondContact O-CB 3.48Å; V358-S361 PolarHBondContact O-N 3.14Å; V358-S361 PolarHBondContact O-OG 2.95Å; C359-S361 VanDerWaalsContact C-N 3.32Å; C359-S361 PolarHBondContact O-N 3.08Å; S361-R678 PolarHBondContact O-NH1 2.84Å; S361-R678 PolarHBondContact O-NH2 3.11Å; S361-R678 PolarHBondContact OG-NH2 3.07Å; S361-R678 VanDerWaalsContact OG-NH2 3.12Å; S361-K679 PolarHBondContact O-NZ 2.99Å
362N67.7Low67.2Low134 Ų13457.7 Ų57.772%0.71733%0.329SS*.  trans-100.919.5172.6-74.5-29.8000112.1Y364N362-Y364 PolarHBondContact O-N 3.11Å
363I62Low64.9Low91 Ų9164.4 Ų64.447%0.46737%0.37SS..  trans-67.694.5177.8-58.9173.4000107.9H365 R678I363-H365 PolarHBondContact O-N 2.86Å; I363-R678 VanDerWaalsContact C-NH1 3.26Å; I363-R678 PolarHBondContact O-NH1 3.03Å
364Y53.3Low62.6Low79 Ų7965.1 Ų65.131%0.3137%0.373SS..  trans-68.8127.2175.2-106.3-94.5000109.8N362 Q366 A497 P498N362-Y364 PolarHBondContact O-N 3.11Å; Y364-Q366 PolarHBondContact O-N 3.44Å; Y364-A497 HydrophobicContact CE1-CB 4.36Å; Y364-A497 WeakPolarHBondContact OH-CB 3.39Å; Y364-P498 HydrophobicContact CD2-CB 4.37Å; Y364-P498 HydrophobicContact CE2-CB 3.82Å; Y364-P498 HydrophobicContact CE2-CG 3.63Å; Y364-P498 WeakPolarHBondContact OH-CD 3.39Å
365H53.7Low60Low22 Ų2265.8 Ų65.810%0.10237%0.369CS..  trans-79.994.6159.3-58.1-39.8000106C339 S340 I363 T367 D543 C545C339-H365 PolarHBondContact SG-NE2 3.43Å; S340-H365 VanDerWaalsContact CB-ND1 3.31Å; S340-H365 WeakPolarHBondContact CB-ND1 3.34Å; S340-H365 PolarHBondContact OG-ND1 3.44Å; I363-H365 PolarHBondContact O-N 2.86Å; H365-T367 VanDerWaalsContact C-N 3.33Å; H365-T367 PolarHBondContact O-N 3.44Å; H365-D543 PolarHBondContact CD2-O 3.36Å; H365-D543 PolarHBondContact NE2-O 2.91Å; H365-C545 PolarHBondContact CD2-SG 3.38Å
366Q41Very low57.5Low107 Ų10766.9 Ų66.950%0.537%0.368SS..  trans-63.7103.1164.3-78.4176.92.300106.6Y364Y364-Q366 PolarHBondContact O-N 3.44Å
367T42.5Very low55.1Low41 Ų4171.2 Ų71.225%0.25240%0.396SS..  trans-64.5126.1151.145.20000105L337 H365 D369 C590L337-T367 HydrophobicContact CD1-CG2 4.08Å; H365-T367 VanDerWaalsContact C-N 3.33Å; H365-T367 PolarHBondContact O-N 3.44Å; T367-D369 VanDerWaalsContact C-N 3.28Å; T367-D369 PolarHBondContact O-N 2.81Å; T367-D369 VanDerWaalsContact O-N 3.08Å; T367-D369 PolarHBondContact OG1-OD1 2.81Å; T367-C590 HydrophobicContact CG2-CB 4.24Å; T367-C590 VanDerWaalsContact CG2-SG 3.58Å
368D36.8Very low52.5Low95 Ų9573.7 Ų73.751%0.50840%0.403SS..  trans-64.6108.6151.9-166.3-10.6000103.4S370D368-S370 VanDerWaalsContact CB-OG 3.28Å; D368-S370 WeakPolarHBondContact CB-OG 3.44Å; D368-S370 VanDerWaalsContact CG-CB 3.46Å; D368-S370 CarbonylContact O-C 3.21Å; D368-S370 PolarHBondContact O-N 3.13Å; D368-S370 VanDerWaalsContact O-O 3.07Å; D368-S370 PolarHBondContact O-OG 3.34Å; D368-S370 WeakPolarHBondContact OD1-CB 3.35Å; D368-S370 PolarHBondContact OD1-N 3.27Å; D368-S370 PolarHBondContact OD1-OG 2.96Å; D368-S370 PolarHBondContact OD2-OG 3.24Å
369D42.2Very low49.5Very low86 Ų8681.7 Ų81.746%0.4644%0.436SS..  trans-62.23.6173.8-62.3-34.3000111.1T367 L371T367-D369 VanDerWaalsContact C-N 3.28Å; T367-D369 PolarHBondContact O-N 2.81Å; T367-D369 VanDerWaalsContact O-N 3.08Å; T367-D369 PolarHBondContact OG1-OD1 2.81Å; D369-L371 PolarHBondContact O-N 2.83Å
370S41.3Very low46.6Very low60 Ų6085.2 Ų85.242%0.4246%0.46SS..  trans-45.998.1147.675.70000109.1D368D368-S370 VanDerWaalsContact CB-OG 3.28Å; D368-S370 WeakPolarHBondContact CB-OG 3.44Å; D368-S370 VanDerWaalsContact CG-CB 3.46Å; D368-S370 CarbonylContact O-C 3.21Å; D368-S370 PolarHBondContact O-N 3.13Å; D368-S370 VanDerWaalsContact O-O 3.07Å; D368-S370 PolarHBondContact O-OG 3.34Å; D368-S370 WeakPolarHBondContact OD1-CB 3.35Å; D368-S370 PolarHBondContact OD1-N 3.27Å; D368-S370 PolarHBondContact OD1-OG 2.96Å; D368-S370 PolarHBondContact OD2-OG 3.24Å
371L45.3Very low43.7Very low45 Ų4584.1 Ų84.124%0.23647%0.467CS..  trans-40.1154.6154.1-60.2151000108.5P225 D369 V373 Y375 I673 F675P225-L371 HydrophobicContact CB-CD2 4.36Å; D369-L371 PolarHBondContact O-N 2.83Å; L371-V373 PolarHBondContact O-N 3.27Å; L371-Y375 HydrophobicContact CB-CD1 3.67Å; L371-Y375 HydrophobicContact CB-CD2 3.99Å; L371-Y375 HydrophobicContact CB-CE1 4.49Å; L371-Y375 HydrophobicContact CB-CG 3.36Å; L371-Y375 HydrophobicContact CD1-CD1 3.11Å; L371-Y375 HydrophobicContact CD1-CE1 3.37Å; L371-Y375 HydrophobicContact CD1-CG 3.81Å; L371-Y375 HydrophobicContact CD2-CD1 3.83Å; L371-Y375 HydrophobicContact CD2-CD2 3.86Å; L371-Y375 HydrophobicContact CD2-CE1 3.8Å; L371-Y375 HydrophobicContact CD2-CE2 3.84Å; L371-Y375 HydrophobicContact CD2-CG 3.86Å; L371-Y375 HydrophobicContact CG-CD1 3.68Å; L371-Y375 HydrophobicContact CG-CD2 4.34Å; L371-Y375 HydrophobicContact CG-CE1 4.04Å; L371-Y375 HydrophobicContact CG-CG 3.84Å; L371-I673 HydrophobicContact CD2-CD1 4.29Å; L371-F675 HydrophobicContact CD2-CZ 4.11Å
372P41.3Very low41.2Very low23 Ų2385.5 Ų85.515%0.14947%0.471CS..  trans-39.2143.7179.5-25.727.5000111D374 Y375 W509P372-D374 CarbonylContact O-C 3.53Å; P372-D374 PolarHBondContact O-N 3.45Å; P372-Y375 WeakPolarHBondContact O-CB 3.42Å; P372-Y375 PolarHBondContact O-N 3.19Å; P372-W509 HydrophobicContact CB-CG 4.28Å; P372-W509 HydrophobicContact CG-CD2 3.86Å; P372-W509 HydrophobicContact CG-CE3 4.44Å; P372-W509 HydrophobicContact CG-CG 4.12Å; P372-W509 HydrophobicContact CG-CZ2 4.09Å
373V42.1Very low39Very low147 Ų14788.3 Ų88.389%0.89148%0.477SS*.THydrogen-bonded Turntrans-49.3-21-177.5-176.90000112.6L371L371-V373 PolarHBondContact O-N 3.27Å
374D42.6Very low37.2Very low46 Ų4689.9 Ų89.925%0.24648%0.482CS..THydrogen-bonded Turntrans-100.915.1175.3-59.7-66.4000116.4P372 S376 S381 I382P372-D374 CarbonylContact O-C 3.53Å; P372-D374 PolarHBondContact O-N 3.45Å; D374-S376 PolarHBondContact O-N 2.89Å; D374-S381 PolarHBondContact OD1-N 3.31Å; D374-I382 HydrophobicContact CB-CG1 4.3Å; D374-I382 WeakPolarHBondContact OD2-CG1 3.48Å
375Y35.5Very low35.8Very low65 Ų6596.3 Ų96.326%0.25551%0.507SS..  trans-79.577.6175.4-164.1-86.6000109.5L371 P372 I673L371-Y375 HydrophobicContact CB-CD1 3.67Å; L371-Y375 HydrophobicContact CB-CD2 3.99Å; L371-Y375 HydrophobicContact CB-CE1 4.49Å; L371-Y375 HydrophobicContact CB-CG 3.36Å; L371-Y375 HydrophobicContact CD1-CD1 3.11Å; L371-Y375 HydrophobicContact CD1-CE1 3.37Å; L371-Y375 HydrophobicContact CD1-CG 3.81Å; L371-Y375 HydrophobicContact CD2-CD1 3.83Å; L371-Y375 HydrophobicContact CD2-CD2 3.86Å; L371-Y375 HydrophobicContact CD2-CE1 3.8Å; L371-Y375 HydrophobicContact CD2-CE2 3.84Å; L371-Y375 HydrophobicContact CD2-CG 3.86Å; L371-Y375 HydrophobicContact CG-CD1 3.68Å; L371-Y375 HydrophobicContact CG-CD2 4.34Å; L371-Y375 HydrophobicContact CG-CE1 4.04Å; L371-Y375 HydrophobicContact CG-CG 3.84Å; P372-Y375 WeakPolarHBondContact O-CB 3.42Å; P372-Y375 PolarHBondContact O-N 3.19Å; Y375-I673 HydrophobicContact CE2-CD1 4.27Å
376S36.2Very low34.3Very low73 Ų73103.1 Ų103.151%0.5154%0.539SS..SBendtrans-121.3133150.9-1570000105.5D374 N378 K379D374-S376 PolarHBondContact O-N 2.89Å; S376-N378 PolarHBondContact O-N 2.99Å; S376-K379 PolarHBondContact O-N 3.26Å
377P39.8Very low33.5Very low106 Ų106102.3 Ų102.369%0.68854%0.541SS*.THydrogen-bonded Turntrans-50.6-18.5177.4-26.432.7000113.4
378N33.6Very low32.7Very low139 Ų139108.6 Ų108.674%0.74357%0.568SS**THydrogen-bonded Turntrans-13768.4177.4-64.5-49.3000113.6S376S376-N378 PolarHBondContact O-N 2.99Å
379K25.4Very low32.2Very low184 Ų184110.7 Ų110.780%0.857%0.573SS**  trans171.8129146.2-105.7172.6174.4-179.60109.9S376S376-K379 PolarHBondContact O-N 3.26Å
380C29.8Very low31.4Very low91 Ų91113.3 Ų113.362%0.61559%0.587SS**  trans-131.2124.1-178.9-139.80000109.4I382C380-I382 WeakPolarHBondContact SG-CD1 3.45Å
381S24.6Very low30.7Very low105 Ų105113.5 Ų113.573%0.73459%0.585SS**  trans-135.184.8167.650.90000108.9D374D374-S381 PolarHBondContact OD1-N 3.31Å
382I27.8Very low29.7Very low57 Ų57116 Ų11629%0.29261%0.605SS.*PPolyproline II helixtrans-95.4143-176-66.2167.4000110.6D374 C380D374-I382 HydrophobicContact CB-CG1 4.3Å; D374-I382 WeakPolarHBondContact OD2-CG1 3.48Å; C380-I382 WeakPolarHBondContact SG-CD1 3.45Å
383K22.4Very low29Very low192 Ų192123 Ų12384%0.83564%0.64SS**PPolyproline II helixtrans-82.6126.8167.7-73.7-176.7177.6178.70111.1
384H24.4Very low28.2Very low125 Ų125122.9 Ų122.958%0.57963%0.634SS**PPolyproline II helixtrans-91.8139-170.5-58-62.6000113.3
385Y23.9Very low27.4Very low213 Ų213125.8 Ų125.884%0.83566%0.658SS**  trans-128.9114.2155.7-64.5-81.3000107.5
386E22.6Very low26.9Very low165 Ų165127.3 Ų127.377%0.77168%0.678SS**  trans-86.7123.4168.8-73.5179.9160.800108.1
387T24.3Very low26.4Very low90 Ų90132 Ų13255%0.55269%0.694SS**  trans-115.6102.6162.637.30000107.7F389T387-F389 PolarHBondContact O-N 3.14Å
388E25.1Very low25.6Very low174 Ų174134.5 Ų134.581%0.81370%0.701SS**  trans-67.7107.9163.8-74.4-177.3150.700108.2D390E388-D390 PolarHBondContact O-N 3.31Å
389F26.1Very low25.2Very low139 Ų139135.4 Ų135.461%0.6171%0.705SS**  trans-84.284.2166.3-84.2-90000108.7T387 V391T387-F389 PolarHBondContact O-N 3.14Å; F389-V391 PolarHBondContact O-N 3.37Å
390D25.3Very low25.1Very low140 Ų140138.3 Ų138.375%0.74971%0.711SS**  trans-77.1100.6159.8-86.1-25.5000108.1E388 P392E388-D390 PolarHBondContact O-N 3.31Å; D390-P392 WeakPolarHBondContact O-CD 3.46Å
391V26.2Very low24.8Very low64 Ų64137 Ų13739%0.38871%0.713SS.*  trans-66.7113.4166.5179.90000106.6F389 L393F389-V391 PolarHBondContact O-N 3.37Å; V391-L393 PolarHBondContact O-N 3.29Å
392P24Very low24.9Very low99 Ų99137.6 Ų137.664%0.64372%0.717SS**  trans-63.8116.7179.6-17.631.7000108.6D390 N394D390-P392 WeakPolarHBondContact O-CD 3.46Å; P392-N394 PolarHBondContact O-N 3.06Å
393L28.3Very low24.8Very low170 Ų170139.9 Ų139.989%0.8974%0.738SS**SBendtrans-66.378.8161-86.2116.1000107.1V391V391-L393 PolarHBondContact O-N 3.29Å
394N24.7Very low24.9Very low144 Ų144137.2 Ų137.277%0.7773%0.733SS**  trans155.370.4158.9-77.9-21.4000110.5P392P392-N394 PolarHBondContact O-N 3.06Å
395S25.9Very low25.1Very low106 Ų106141.2 Ų141.274%0.74175%0.749SS**  trans-112.969.1148.359.30000108.5M397S395-M397 PolarHBondContact O-N 3.11Å
396S25Very low25.1Very low97 Ų97136.6 Ų136.668%0.67875%0.748SS**  trans-66.870.7161.2-49.10000108.2N398S396-N398 PolarHBondContact O-N 2.75Å; S396-N398 VanDerWaalsContact O-N 3.12Å
397M25.1Very low25.2Very low173 Ų173133.5 Ų133.585%0.85274%0.744SS**  trans-69.3109.1164.2-114.8-176.6172.200106.3S395 I399S395-M397 PolarHBondContact O-N 3.11Å; M397-I399 PolarHBondContact O-N 2.97Å
398N22.7Very low25.3Very low157 Ų157137 Ų13784%0.8476%0.758SS**  trans-57.884.4173.1-75-45.1000109.9S396 R400S396-N398 PolarHBondContact O-N 2.75Å; S396-N398 VanDerWaalsContact O-N 3.12Å; N398-R400 PolarHBondContact O-N 2.95Å
399I26.4Very low25.3Very low159 Ų159134.1 Ų134.182%0.81576%0.755SS**  trans-78.387.5158.9-57.9-175.8000105.9M397 G401M397-I399 PolarHBondContact O-N 2.97Å; I399-G401 PolarHBondContact O-N 3.2Å
400R22Very low25.1Very low244 Ų244133.3 Ų133.392%0.92177%0.766SS**  trans-65109.2169.8177.6-175.8-81.5-130.7-1107.8N398N398-R400 PolarHBondContact O-N 2.95Å
401G23.8Very low25Very low65 Ų65131.1 Ų131.167%0.6776%0.762SS**  trans141.180.2162.500000115.6I399I399-G401 PolarHBondContact O-N 3.2Å
402S28Very low25Very low116 Ų116136.7 Ų136.781%0.81179%0.788SS**  trans173.383.9130.661.10000107.8D404S402-D404 PolarHBondContact O-N 3.48Å
403S24.3Very low25Very low106 Ų106139.3 Ų139.374%0.74180%0.797SS**  trans-54.5123.5149.345.90000107.1
404D25.4Very low24.6Very low135 Ų135139 Ų13972%0.72280%0.796SS**  trans160.767.7147.5-77.5-12.7000110.2S402S402-D404 PolarHBondContact O-N 3.48Å
405F29Very low24.6Very low209 Ų209135.7 Ų135.792%0.91780%0.796SS**  trans-148.756.5155.6-85.9-70.5000109.6
406S23.9Very low24.4Very low117 Ų117135.9 Ų135.982%0.81880%0.798SS**  trans-110.966.316560.30000109.4
407S24.6Very low24.2Very low99 Ų99137.7 Ų137.769%0.69281%0.805SS**  trans-170.483.716457.20000111.5
408I26.5Very low24Very low163 Ų163138.9 Ų138.984%0.83681%0.808SS**  trans-129.4112.9148-59.5-176.5000106.7
409P24.5Very low23.9Very low115 Ų115136.8 Ų136.875%0.74781%0.806SS**  trans-72.9138.9-170.9-14.528.7000113.4S411P409-S411 PolarHBondContact O-N 2.91Å
410S20.8Very low23.8Very low122 Ų122136 Ų13685%0.85381%0.808SS**  trans-73.298.4163.7520000110.8
411S23.9Very low23.7Very low93 Ų93129.9 Ų129.965%0.6580%0.798SS**  trans-167.6108.2156.959.10000111.2P409P409-S411 PolarHBondContact O-N 2.91Å
412L26Very low23.6Very low181 Ų181133.9 Ų133.995%0.94880%0.804SS**  trans-16283.5143.1-101135.1000107.7
413N23.8Very low23.3Very low155 Ų155133.6 Ų133.683%0.82980%0.802SS**  trans-70.3143.9161.5-97.9-23000109.7
414N21.5Very low23.3Very low163 Ų163137.4 Ų137.487%0.87281%0.808SS**  trans-11.2128157.8-64.8-24.7000117.3
415G23.4Very low23.1Very low74 Ų74135.5 Ų135.576%0.76381%0.811SS**  trans-171.295.9168.800000112.6
416S22.1Very low22.8Very low111 Ų111133.5 Ų133.578%0.77681%0.809SS**  trans-6128.8161.850.50000121.1
417T20.4Very low22.7Very low134 Ų134135.3 Ų135.382%0.82281%0.808SS**  trans5.4115.7136.154.10000118.6
418Q22Very low22.6Very low199 Ų199137.4 Ų137.493%0.9381%0.811SS**  trans-155.1134.3139.6-108.6174.917.100110.7
419S19.4Very low22.5Very low112 Ų112138.5 Ų138.578%0.78381%0.813SS**  trans-76.4131.2-179.348.80000112.5
420V24.1Very low22.5Very low144 Ų144141.2 Ų141.287%0.87381%0.813SS**  trans-145.8136.5153-177.80000109.7
421T20.5Very low22.7Very low115 Ų115139.7 Ų139.771%0.70680%0.802SS**  trans-78154.3-177.445.40000114.3
422D20.8Very low22.8Very low148 Ų148141 Ų14179%0.79181%0.811SS**  trans44.5106.4149.1-59.5-23.5000119.7
423S22.7Very low22.9Very low110 Ų110136.9 Ų136.977%0.76979%0.791SS**  167.6130119.3-750000112.9
424Q23.4Very low23.2Very low187 Ų187134.6 Ų134.687%0.87479%0.786SS**  trans74.8100148.2-63.5175.12.400120.1
425A21.6Very low23.9Very low95 Ų95128.5 Ų128.579%0.78575%0.754SS**  18.6101.5129.300000118.5
426L22.3Very low24.7Very low167 Ų167126.3 Ų126.387%0.87473%0.726SS**  trans176.5146.7131-94.9148.1000107
427I21.6Very low25.4Very low155 Ų155121.6 Ų121.680%0.79570%0.695SS**  trans83.880.7-179.4-42.6167.5000113.9
428N23.6Very low26.4Very low143 Ų143116.1 Ų116.177%0.76566%0.661SS**  trans-123.959.3149-108.4-28.3000108.1K430N428-K430 PolarHBondContact O-N 3.43Å; N428-K430 VanDerWaalsContact O-N 3.12Å
429Q23.1Very low27.3Very low185 Ų185107 Ų10786%0.86462%0.619SS**  trans-74.883.2147.8-75.6-167.3-7.900105.5S431Q429-S431 PolarHBondContact O-N 2.76Å
430K26.3Very low28.3Very low172 Ų172102 Ų10275%0.74858%0.583SS**  trans-57.3123.4171.4-83.6-177173.8-179.30107.2N428 S432N428-K430 PolarHBondContact O-N 3.43Å; N428-K430 VanDerWaalsContact O-N 3.12Å; K430-S432 PolarHBondContact O-N 2.94Å
431S25Very low28.8Very low90 Ų9095.6 Ų95.663%0.62955%0.545SS*.  trans-42.2124.5165.750.90000108.9Q429 D433Q429-S431 PolarHBondContact O-N 2.76Å; S431-D433 PolarHBondContact O-N 2.83Å
432S25.3Very low29.7Very low120 Ų12090.4 Ų90.484%0.83951%0.513SS*.  trans-67.981.7167.553.20000107.6K430 S434K430-S432 PolarHBondContact O-N 2.94Å; S432-S434 PolarHBondContact O-N 2.9Å
433D28.3Very low30.4Very low96 Ų9685.9 Ų85.951%0.51349%0.489SS..  trans-56.9126.9166-73.2-12.2000107.3S431 D435S431-D433 PolarHBondContact O-N 2.83Å; D433-D435 PolarHBondContact O-N 2.91Å
434S29.6Very low30.7Very low106 Ų10682.2 Ų82.274%0.74146%0.46SS*.  trans-6974.8-177560000111.2S432S432-S434 PolarHBondContact O-N 2.9Å
435D36.3Very low31Very low35 Ų3578.2 Ų78.219%0.18745%0.445CS..  trans-97.7115.9169.3-175.413.2000108.3D433 G437 R530D433-D435 PolarHBondContact O-N 2.91Å; D435-G437 PolarHBondContact O-N 3.4Å; D435-R530 IonicContact OD2-CZ 3.78Å; D435-R530 IonicContact OD2-NE 3.76Å; D435-R530 PolarHBondContact OD2-NE 3.32Å; D435-R530 IonicContact OD2-NH2 3.01Å
436V39.9Very low31.3Very low28 Ų2880.1 Ų80.117%0.1744%0.442CS..  trans-73.21.4-164-173.70000112.9L438 L563 A567V436-L438 HydrophobicContact CB-CD1 4.43Å; V436-L438 HydrophobicContact CB-CG 4.41Å; V436-L438 HydrophobicContact CG1-CD1 3.99Å; V436-L438 HydrophobicContact CG1-CG 3.99Å; V436-L438 PolarHBondContact O-N 2.79Å; V436-L438 VanDerWaalsContact O-N 3.12Å; V436-L563 HydrophobicContact CG1-CB 3.88Å; V436-L563 HydrophobicContact CG1-CD2 4.04Å; V436-L563 WeakPolarHBondContact CG1-O 3.36Å; V436-L563 HydrophobicContact CG2-CB 3.96Å; V436-A567 HydrophobicContact CG1-CB 4.3Å
437G36.6Very low31.4Very low13 Ų1382.2 Ų82.213%0.13444%0.438CS..SBendtrans64.917.9176.400000114.3D435D435-G437 PolarHBondContact O-N 3.4Å
438L41.1Very low31.5Very low19 Ų1983.6 Ų83.610%0.09944%0.438CS..  trans-77.1-24.2178.1-71.8172.2000112.6F297 H298 V436 I440 L563F297-L438 HydrophobicContact CE1-CD1 4.01Å; H298-L438 PolarHBondContact CE1-O 2.96Å; V436-L438 HydrophobicContact CB-CD1 4.43Å; V436-L438 HydrophobicContact CB-CG 4.41Å; V436-L438 HydrophobicContact CG1-CD1 3.99Å; V436-L438 HydrophobicContact CG1-CG 3.99Å; V436-L438 PolarHBondContact O-N 2.79Å; V436-L438 VanDerWaalsContact O-N 3.12Å; L438-I440 PolarHBondContact O-N 3.1Å; L438-I440 VanDerWaalsContact O-N 3.11Å; L438-L563 HydrophobicContact CD1-CD2 3.45Å; L438-L563 VanDerWaalsContact CD1-CD2 3.45Å
439S40.7Very low31.5Very low8 Ų884.3 Ų84.36%0.05644%0.441CS..  trans-7898.2-173.961.60000112.9T244 Y316T244-S439 PolarHBondContact OG1-O 3.06Å; Y316-S439 VanDerWaalsContact CD1-OG 3.23Å; Y316-S439 WeakPolarHBondContact CD1-OG 3.46Å; Y316-S439 WeakPolarHBondContact CE1-OG 3.3Å
440I40.8Very low31.5Very low6 Ų683.7 Ų83.73%0.03144%0.435CS..  trans-80.1122.4155-55.8178.7000106D197 T244 M292 L438 G664D197-I440 HydrophobicContact CB-CG2 4.31Å; T244-I440 HydrophobicContact CG2-CG1 4.34Å; M292-I440 HydrophobicContact CE-CD1 3.33Å; M292-I440 HydrophobicContact CE-CG1 4.14Å; M292-I440 HydrophobicContact CG-CD1 4.46Å; M292-I440 HydrophobicContact SD-CD1 4.37Å; L438-I440 PolarHBondContact O-N 3.1Å; L438-I440 VanDerWaalsContact O-N 3.11Å; I440-G664 WeakPolarHBondContact O-CA 3.26Å
441S34.3Very low31.4Very low9 Ų981.5 Ų81.56%0.06343%0.432CS..  trans-126.9120.5178.7-168.90000109.1R309 R315R309-S441 PolarHBondContact NH1-OG 3.41Å; R309-S441 PolarHBondContact NH2-OG 2.89Å; R315-S441 PolarHBondContact NH2-OG 3Å
442S40.7Very low31.3Very low7 Ų782.4 Ų82.45%0.04944%0.438CS..  trans-70.2149.7171.265.10000110.3R309 I444 G664R309-S442 PolarHBondContact NH1-O 3.06Å; R309-S442 VanDerWaalsContact NH1-O 3.1Å; R309-S442 PolarHBondContact NH2-O 3.26Å; S442-I444 PolarHBondContact O-N 2.55Å; S442-G664 PolarHBondContact OG-O 2.88Å
443N35.1Very low31.3Very low52 Ų5284.3 Ų84.328%0.27843%0.434SS..  trans-80.7106.1-179.7-66.9-61.7000110.6S141 G142S141-N443 VanDerWaalsContact CA-ND2 3.3Å; S141-N443 WeakPolarHBondContact CA-ND2 3.38Å; G142-N443 PolarHBondContact N-ND2 2.81Å; G142-N443 PolarHBondContact N-OD1 3.18Å
444I30Very low31.2Very low34 Ų3487.2 Ų87.217%0.17445%0.448CS..  trans-112.8124.8172.2-59.6172.4000107.2R309 S442R309-I444 VanDerWaalsContact CD-O 3.23Å; R309-I444 WeakPolarHBondContact CD-O 3.38Å; R309-I444 PolarHBondContact NE-O 2.79Å; R309-I444 VanDerWaalsContact NE-O 3.12Å; S442-I444 PolarHBondContact O-N 2.55Å
445D29.3Very low30.9Very low102 Ų10287.5 Ų87.555%0.54545%0.448SS..  trans-104.1119.7163.8-152.6-8.1000107.2R447D445-R447 PolarHBondContact O-N 3.41Å
446D26.7Very low30.4Very low135 Ų13593.2 Ų93.272%0.72248%0.478SS*.  trans-77.558.3-179.8-76.3-34.1000110.7
447R24.8Very low29.6Very low212 Ų21299.4 Ų99.480%0.851%0.509SS*.SBendtrans-129.4108.4169.9-74.7-174.2175.9174.7-0.3110.1D445D445-R447 PolarHBondContact O-N 3.41Å
448K24.2Very low28.9Very low183 Ų183106.3 Ų106.380%0.79654%0.542SS*.  trans8085.9173.7-59.8-177.2177.5-178.10115.2F450K448-F450 VanDerWaalsContact C-N 3.26Å; K448-F450 HydrophobicContact CB-CD2 4.31Å; K448-F450 HydrophobicContact CD-CD2 4.42Å; K448-F450 HydrophobicContact CD-CE2 4.46Å; K448-F450 PolarHBondContact O-N 3.12Å; K448-F450 VanDerWaalsContact O-N 3.09Å
449I23.3Very low28.1Very low159 Ų159114.7 Ų114.782%0.81558%0.578SS**  trans-66.693.7144.8-57.7168.6000105.7
450F22.2Very low27.2Very low172 Ų172121.4 Ų121.475%0.75461%0.613SS**  trans-91.1113.8155.1-106.6-89.2000105.5K448 S452K448-F450 VanDerWaalsContact C-N 3.26Å; K448-F450 HydrophobicContact CB-CD2 4.31Å; K448-F450 HydrophobicContact CD-CD2 4.42Å; K448-F450 HydrophobicContact CD-CE2 4.46Å; K448-F450 PolarHBondContact O-N 3.12Å; K448-F450 VanDerWaalsContact O-N 3.09Å; F450-S452 VanDerWaalsContact C-N 3.28Å; F450-S452 PolarHBondContact O-N 3.21Å
451N24.2Very low26.3Very low125 Ų125129.9 Ų129.967%0.66865%0.65SS**  trans-62.596.5165-76.4-15.7000106.9H453N451-H453 PolarHBondContact O-N 3.45Å
452S24.6Very low25.7Very low110 Ų110137 Ų13777%0.76969%0.687SS**  trans-7184.5158.642.50000107F450 L454F450-S452 VanDerWaalsContact C-N 3.28Å; F450-S452 PolarHBondContact O-N 3.21Å; S452-L454 PolarHBondContact O-N 3.44Å; S452-L454 VanDerWaalsContact O-N 3.09Å
453H24Very low25Very low160 Ų160141.8 Ų141.874%0.74172%0.72SS**  trans-57.5110.5150.2-84-81.1000106N451 P455N451-H453 PolarHBondContact O-N 3.45Å; H453-P455 WeakPolarHBondContact O-CD 3.44Å
454L25.8Very low24.4Very low156 Ų156147.6 Ų147.682%0.81775%0.746SS**  trans-49.3121.7163.2-130.386.4000106.5S452 D456S452-L454 PolarHBondContact O-N 3.44Å; S452-L454 VanDerWaalsContact O-N 3.09Å; L454-D456 PolarHBondContact O-N 3.01Å
455P24.6Very low23.9Very low113 Ų113157.3 Ų157.373%0.73478%0.78SS**  trans-65.3122.5177-14.928.4000108H453 L457H453-P455 WeakPolarHBondContact O-CD 3.44Å; P455-L457 PolarHBondContact O-N 3.36Å
456D25Very low23.6Very low154 Ų154159.9 Ų159.982%0.82479%0.794SS**  trans-45.3115.3167-72.2-46.8000108.7L454 I458L454-D456 PolarHBondContact O-N 3.01Å; D456-I458 PolarHBondContact O-N 2.87Å
457L24.6Very low23.3Very low158 Ų158158.6 Ų158.683%0.82780%0.795SS**  trans-54.8105.8169.4-94.1138.2000107.5P455 F459P455-L457 PolarHBondContact O-N 3.36Å; L457-F459 VanDerWaalsContact C-N 3.35Å; L457-F459 PolarHBondContact O-N 3.32Å
458I20.7Very low23.1Very low159 Ų159157.7 Ų157.782%0.81580%0.798SS**  trans-58.297.4173.5-63.5171000106.9D456 D460D456-I458 PolarHBondContact O-N 2.87Å; I458-D460 PolarHBondContact O-N 3.09Å
459F24.3Very low23Very low195 Ų195156.3 Ų156.386%0.85580%0.799SS**  trans-71.9121.4161.9-98.3-86.1000108.1L457 K461L457-F459 VanDerWaalsContact C-N 3.35Å; L457-F459 PolarHBondContact O-N 3.32Å; F459-K461 PolarHBondContact O-N 2.83Å
460D22.9Very low23.1Very low148 Ų148155.7 Ų155.779%0.79180%0.803SS**  trans-52.1119.4-173.3-139.2-19.7000111.5I458 N462I458-D460 PolarHBondContact O-N 3.09Å; D460-N462 PolarHBondContact O-N 2.9Å
461K21.5Very low23.1Very low185 Ų185154.7 Ų154.780%0.80481%0.805SS**  trans-77.296.1168.6-78.4-179.4176.4175.90107.1F459F459-K461 PolarHBondContact O-N 2.83Å
462N21.3Very low22.9Very low159 Ų159154.2 Ų154.285%0.8581%0.811SS**  trans178.392.7147.2-87.8-25.6000110.3D460D460-N462 PolarHBondContact O-N 2.9Å
463S25.9Very low22.8Very low107 Ų107155.1 Ų155.175%0.74882%0.816SS**SBend-172.5113.2126.8-157.20000110.9
464E22.6Very low22.6Very low173 Ų173155 Ų15581%0.80882%0.821SS**  trans55.398.5142.5-60.6-173.916500121.2
465R19.5Very low22.5Very low238 Ų238155.7 Ų155.790%0.89882%0.824SS**  7111128.6-73179.2-107.5-175.6-4.2115.7
466N22.8Very low22.3Very low157 Ų157158 Ų15884%0.8483%0.827SS**  trans-146.5112.3132.7-94.5-29.8000109.4
467S19.6Very low22.1Very low107 Ų107155 Ų15575%0.74882%0.818SS**  trans-67.6124.9169.553.60000109.6
468F22.4Very low22.1Very low194 Ų194154.7 Ų154.785%0.85182%0.817SS**  trans-146.3126.5150.5-94.1-75.5000110
469D21.5Very low22.2Very low154 Ų154156 Ų15682%0.82482%0.817SS**  trans-52.3131.5-178.6-69.2-55.7000113.1
470V24.4Very low22.1Very low146 Ų146158.8 Ų158.889%0.88582%0.821SS**  trans-103.385164.3-1770000107.5
471N22.1Very low22.1Very low151 Ų151159.5 Ų159.581%0.80782%0.82SS**  trans-84.2130.6161.3-99.3-26000109.4C473N471-C473 PolarHBondContact O-N 3.47Å
472S21.1Very low22.2Very low114 Ų114160.3 Ų160.380%0.79782%0.824SS**  trans-42.6126.5169.1-630000113.3
473C21.6Very low22.3Very low130 Ų130160.5 Ų160.588%0.87882%0.823SS**  trans-153.5123.9145.8-97.50000111N471N471-C473 PolarHBondContact O-N 3.47Å
474N20.7Very low22.3Very low157 Ų157159 Ų15984%0.8481%0.813SS**  trans-46137.1158.3-71.3-46.5000111.1
475I23.4Very low22.5Very low171 Ų171157.4 Ų157.488%0.87781%0.809SS**  trans-156139.9135.5-92142.4000108.5
476M19.8Very low22.8Very low161 Ų161153.6 Ų153.679%0.79381%0.805SS**  trans-63.6155.2-172.4-60.8162.149.400115.3
477S22.3Very low23.1Very low90 Ų90149.2 Ų149.263%0.62980%0.798SS**  trans63134.1134.765.20000120.7
478N23Very low23.7Very low152 Ų152150 Ų15081%0.81379%0.792SS**  trans75.480.6154.8-63.9-19.9000117.5
479K22.5Very low24Very low188 Ų188149.8 Ų149.882%0.81779%0.794SS**  -155.7100.9126.3-105.4163.3-173.8-176.80108.9E481K479-E481 PolarHBondContact O-N 2.77Å
480R22.6Very low24.4Very low252 Ų252151.1 Ų151.195%0.95180%0.795SS**  trans-64.185.6158.7-79.1176170.7161.7-4106.4K482R480-K482 PolarHBondContact O-N 2.91Å
481E24.3Very low24.9Very low164 Ų164146.4 Ų146.477%0.76676%0.764SS**  trans-68.1115.4164.6-81.7-176.6164.700107.4K479 I483K479-E481 PolarHBondContact O-N 2.77Å; E481-I483 VanDerWaalsContact C-N 3.33Å; E481-I483 PolarHBondContact O-N 2.84Å
482K22.4Very low25.6Very low202 Ų202146.4 Ų146.488%0.87876%0.76SS**  trans-5499.1167.8-76.9173.5172.6177.30107.5R480 S484R480-K482 PolarHBondContact O-N 2.91Å; K482-S484 PolarHBondContact O-N 2.79Å
483I24.7Very low26.5Very low162 Ų162147.8 Ų147.883%0.83176%0.758SS**  trans-66.697.9154.5-60.9175.1000104.3E481E481-I483 VanDerWaalsContact C-N 3.33Å; E481-I483 PolarHBondContact O-N 2.84Å
484S24.7Very low27.4Very low76 Ų76148.4 Ų148.453%0.53175%0.752SS.*  trans-54.2139.4177.343.70000110.8K482 I486K482-S484 PolarHBondContact O-N 2.79Å; S484-I486 PolarHBondContact O-N 3.31Å
485N26.4Very low28.5Very low139 Ų139143.6 Ų143.674%0.74373%0.725SS**  trans-54.463.5173.9-69.4-24.5000114G487N485-G487 PolarHBondContact O-N 2.95Å
486I26.7Very low29.5Very low158 Ų158137.3 Ų137.381%0.8169%0.693SS**  trans-87.592170.9-60.8168.9000106.3S484S484-I486 PolarHBondContact O-N 3.31Å
487G28.9Very low30.8Very low66 Ų66131.5 Ų131.568%0.6867%0.671SS**SBendtrans154.4-19.4167.200000117.8N485N485-G487 PolarHBondContact O-N 2.95Å
488I31.5Very low31.3Very low122 Ų122131.2 Ų131.263%0.62667%0.666SS**SBendtrans-91.3-17.1-171.7-59.8179.6000113.5Q490I488-Q490 PolarHBondContact O-N 3.44Å
489E29.5Very low31.6Very low190 Ų190128.1 Ų128.189%0.88866%0.657SS**THydrogen-bonded Turntrans-81.87.7-171.1-72-171.1166.400116.8
490Q30.6Very low31.7Very low182 Ų182130.3 Ų130.385%0.8566%0.66SS**THydrogen-bonded Turntrans-116.68.6176.6-73.7-169.8-5.300115.6I488 H492I488-Q490 PolarHBondContact O-N 3.44Å; Q490-H492 PolarHBondContact O-N 3.04Å
491L34.9Very low32Very low47 Ų47123.1 Ų123.125%0.24665%0.648CS.*  trans-80.4109.9178.6-67161.4000109.9F215 L496F215-L491 HydrophobicContact CD1-CD2 3.82Å; F215-L491 HydrophobicContact CE1-CD2 3.4Å; F215-L491 HydrophobicContact CZ-CD2 4.2Å; L491-L496 HydrophobicContact CB-CD1 3.86Å; L491-L496 HydrophobicContact CB-CG 4.3Å; L491-L496 HydrophobicContact CD1-CD1 4.14Å; L491-L496 HydrophobicContact CD1-CD2 4.14Å; L491-L496 HydrophobicContact CD1-CG 4.34Å
492H36.3Very low32.1Very low152 Ų152120.5 Ų120.570%0.70465%0.648SS**  trans-64.5137.3164.6-75.370.8000108.8Q490 N494 Q495Q490-H492 PolarHBondContact O-N 3.04Å; H492-N494 PolarHBondContact O-N 3.47Å; H492-Q495 PolarHBondContact O-N 3.44Å; H492-Q495 VanDerWaalsContact O-N 3.11Å
493D39Very low32.4Very low142 Ų142118.1 Ų118.176%0.75964%0.644SS**THydrogen-bonded Turntrans-50.4-17.7-177.6-73.2-34.6000115.2
494N41.1Very low32.6Very low143 Ų143119.7 Ų119.777%0.76565%0.645SS**THydrogen-bonded Turntrans-79.9-15.2-178.5-69.1-19.9000115.3H492H492-N494 PolarHBondContact O-N 3.47Å
495Q43.4Very low33Very low57 Ų57121.3 Ų121.327%0.26665%0.654SS.*THydrogen-bonded Turntrans-100.8-22.9-176.6-57.6-67.317.800113.8K231 H492K231-Q495 PolarHBondContact O-OE1 2.86Å; H492-Q495 PolarHBondContact O-N 3.44Å; H492-Q495 VanDerWaalsContact O-N 3.11Å
496L44.1Very low33.5Very low39 Ų39121 Ų12120%0.20465%0.65CS.*BIsolated β-bridgetrans-78.9140.6171.1-72.2164000108.2I228 L230 L491 P498I228-L496 HydrophobicContact CD1-CD2 3.53Å; L230-L496 HydrophobicContact CD2-CD2 4.42Å; L491-L496 HydrophobicContact CB-CD1 3.86Å; L491-L496 HydrophobicContact CB-CG 4.3Å; L491-L496 HydrophobicContact CD1-CD1 4.14Å; L491-L496 HydrophobicContact CD1-CD2 4.14Å; L491-L496 HydrophobicContact CD1-CG 4.34Å; L496-P498 WeakPolarHBondContact O-CD 3.3Å
497A47.8Very low35.1Very low39 Ų39118 Ų11832%0.32263%0.631SS.*PPolyproline II helixtrans-55121.6157.500000107.6Y364 S499Y364-A497 HydrophobicContact CE1-CB 4.36Å; Y364-A497 WeakPolarHBondContact OH-CB 3.39Å; A497-S499 PolarHBondContact O-N 3.48Å
498P32.1Very low37.6Very low83 Ų83120 Ų12054%0.53963%0.627SS.*PPolyproline II helixtrans-47.9117.8-173.9-24.213.5000113.4Y364 L496Y364-P498 HydrophobicContact CD2-CB 4.37Å; Y364-P498 HydrophobicContact CE2-CB 3.82Å; Y364-P498 HydrophobicContact CE2-CG 3.63Å; Y364-P498 WeakPolarHBondContact OH-CD 3.39Å; L496-P498 WeakPolarHBondContact O-CD 3.3Å
499S29Very low40.4Very low87 Ų87116.4 Ų116.461%0.60861%0.605SS**  trans-118.4149.8173.667.70000110.8A497A497-S499 PolarHBondContact O-N 3.48Å
500R26.5Very low43.3Very low234 Ų234112 Ų11288%0.88359%0.585SS**  trans71.778171.9-64.7-179.7173.7-172.4-1118
501S27Very low46.4Very low101 Ų101106.1 Ų106.171%0.70656%0.561SS**  trans-129.1144.6138.562.80000110.2L503S501-L503 PolarHBondContact O-N 2.79Å
502S27.6Very low49.2Very low110 Ų110105.5 Ų105.577%0.76956%0.558SS**  trans-59.1119.7-169.750.60000113.8
503L29Very low52.1Low151 Ų151103.5 Ų103.579%0.79154%0.544SS*.  trans-176.7120.5150.6-96.3148.6000112.2S501S501-L503 PolarHBondContact O-N 2.79Å
504K29.1Very low54.7Low196 Ų19697.4 Ų97.485%0.85252%0.515SS*.  trans31.7111.6165.9-67.7-174.8179.3179.90120.7
505P33Very low57.2Low110 Ų11093 Ų9371%0.71449%0.493SS*.  trans-84.8161.8173.435.1-32.4000113.9
506I37.6Very low59.8Low131 Ų13190.3 Ų90.367%0.67248%0.48SS*.  trans92.1100.3168.3-43.5169.7000116.5N508I506-N508 WeakPolarHBondContact CG2-OD1 3.41Å
507K60.1Low62.2Low95 Ų9588.7 Ų88.741%0.41347%0.472SS..  trans-112.7123.4158.7-80.7155.5167.5-900108.2S340S340-K507 WeakPolarHBondContact OG-CE 3.14Å; S340-K507 PolarHBondContact OG-NZ 3Å
508N81Confident64.5Low110 Ų11086.9 Ų86.959%0.58846%0.457SS*.PPolyproline II helixtrans-77.5143.3-177.3-65.8-31000110.8I506 H510I506-N508 WeakPolarHBondContact CG2-OD1 3.41Å; N508-H510 PolarHBondContact O-CD2 3.28Å; N508-H510 VanDerWaalsContact O-CD2 3.22Å; N508-H510 PolarHBondContact O-N 2.84Å
509W89.8Confident67.6Low46 Ų4683 Ų8317%0.17443%0.432CS..PPolyproline II helixtrans-62.2132165.4-74.882.6000109.6S335 L337 P372 A591 R593S335-W509 WeakPolarHBondContact O-CZ3 3.5Å; L337-W509 HydrophobicContact CD1-CD2 4.5Å; L337-W509 HydrophobicContact CD1-CH2 4.34Å; L337-W509 HydrophobicContact CD1-CZ2 3.66Å; L337-W509 HydrophobicContact CD2-CB 4.46Å; L337-W509 HydrophobicContact CD2-CD2 3.78Å; L337-W509 HydrophobicContact CD2-CG 3.72Å; L337-W509 HydrophobicContact CD2-CZ2 4.43Å; L337-W509 HydrophobicContact CG-CD2 3.75Å; L337-W509 VanDerWaalsContact CG-CE2 3.5Å; L337-W509 HydrophobicContact CG-CE3 4.15Å; L337-W509 HydrophobicContact CG-CG 4.25Å; L337-W509 HydrophobicContact CG-CH2 4.13Å; L337-W509 HydrophobicContact CG-CZ2 3.71Å; L337-W509 HydrophobicContact CG-CZ3 4.34Å; P372-W509 HydrophobicContact CB-CG 4.28Å; P372-W509 HydrophobicContact CG-CD2 3.86Å; P372-W509 HydrophobicContact CG-CE3 4.44Å; P372-W509 HydrophobicContact CG-CG 4.12Å; P372-W509 HydrophobicContact CG-CZ2 4.09Å; W509-A591 HydrophobicContact CH2-CB 3.87Å; W509-A591 HydrophobicContact CZ2-CB 4.36Å; W509-R593 HydrophobicContact CZ3-CB 4.14Å
510H91.5Very high70.9Confident98 Ų9879.3 Ų79.345%0.45441%0.405SS..EExtended strand (participates in β ladder)trans-102.6139.1172.2-67.5-92.4000109.3S335 F336 N508S335-H510 CarbonylContact C-O 3.59Å; S335-H510 WeakPolarHBondContact CA-O 3.43Å; F336-H510 HydrophobicContact CD1-CB 4.48Å; F336-H510 WeakPolarHBondContact CD1-O 3.37Å; F336-H510 HydrophobicContact CD2-CB 4.34Å; F336-H510 HydrophobicContact CE1-CB 3.91Å; F336-H510 HydrophobicContact CE2-CB 3.76Å; F336-H510 HydrophobicContact CZ-CB 3.5Å; F336-H510 PolarHBondContact N-O 3.1Å; F336-H510 PolarHBondContact O-N 3.31Å; N508-H510 PolarHBondContact O-CD2 3.28Å; N508-H510 VanDerWaalsContact O-CD2 3.22Å; N508-H510 PolarHBondContact O-N 2.84Å
511T95.4Very high74.3Confident58 Ų5868.2 Ų68.236%0.35636%0.363SS..EExtended strand (participates in β ladder)trans-122.1133.1-176.8-56.20000111.2E333 I334 S335E333-T511 HydrophobicContact CG-CG2 3.38Å; I334-T511 CarbonylContact O-C 3.55Å; I334-T511 VanDerWaalsContact O-CA 3.26Å; I334-T511 WeakPolarHBondContact O-CA 3.14Å; S335-T511 PolarHBondContact OG-OG1 2.61Å
512I94Very high77.6Confident33 Ų3363.5 Ų63.517%0.16933%0.33CS..EExtended strand (participates in β ladder)trans-122.5130.1173.8-61172.1000108I334 F336 F516 L550 M587I334-I512 PolarHBondContact N-O 2.71Å; I334-I512 PolarHBondContact O-N 3.04Å; F336-I512 HydrophobicContact CE1-CD1 3.75Å; F336-I512 HydrophobicContact CE1-CG1 4.06Å; F336-I512 HydrophobicContact CZ-CD1 4.26Å; I512-F516 HydrophobicContact CG2-CZ 4.41Å; I512-L550 HydrophobicContact CD1-CD1 4.31Å; I512-M587 HydrophobicContact CD1-CE 4.05Å; I512-M587 HydrophobicContact CD1-SD 3.72Å
513R95.3Very high80.9Confident111 Ų11158.3 Ų58.342%0.41929%0.294SS..EExtended strand (participates in β ladder)trans-107.3139170.5-68.2176.7175.9-172.7-4108.7E333E333-R513 HydrophobicContact CB-CG 4.15Å; E333-R513 HydrophobicContact CG-CG 3.93Å; E333-R513 IonicContact OE2-CZ 3.06Å; E333-R513 IonicContact OE2-NE 3.41Å; E333-R513 PolarHBondContact OE2-NE 3.14Å; E333-R513 IonicContact OE2-NH2 3.09Å; E333-R513 PolarHBondContact OE2-NH2 3.02Å
514G93.6Very high84Confident14 Ų1451.1 Ų51.114%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-178.7178.7-17900000114.5H331 G332 F516H331-G514 WeakPolarHBondContact CA-O 3.23Å; G332-G514 PolarHBondContact N-O 3.27Å; G332-G514 PolarHBondContact O-N 2.86Å; G332-G514 VanDerWaalsContact O-N 3.15Å; G514-F516 VanDerWaalsContact O-CE2 3.28Å; G514-F516 WeakPolarHBondContact O-CE2 3.48Å
515T95.2Very high87.1Confident50 Ų5042 Ų4231%0.30722%0.217SC..EExtended strand (participates in β ladder)trans-109.6118.4174.7-61.80000109.4Y330 K553Y330-T515 WeakPolarHBondContact O-CA 3.3Å; T515-K553 HydrophobicContact CG2-CB 4.37Å; T515-K553 HydrophobicContact CG2-CD 4.29Å; T515-K553 PolarHBondContact O-N 3.29Å; T515-K553 VanDerWaalsContact O-N 3.1Å
516F96.5Very high89.8Confident1 Ų137.1 Ų37.10%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-115.8138.1-171.4-51.4-77.9000111S329 Y330 I334 I512 G514 I519 L550 V551 H552S329-F516 CarbonylContact C-O 3.23Å; S329-F516 VanDerWaalsContact CA-O 3.25Å; S329-F516 WeakPolarHBondContact CA-O 3.4Å; Y330-F516 PolarHBondContact N-O 3.47Å; Y330-F516 PolarHBondContact O-N 2.83Å; I334-F516 HydrophobicContact CD1-CD2 4.4Å; I334-F516 HydrophobicContact CD1-CE1 4.18Å; I334-F516 HydrophobicContact CD1-CE2 3.82Å; I334-F516 HydrophobicContact CD1-CZ 3.69Å; I334-F516 HydrophobicContact CG1-CE2 4.36Å; I334-F516 HydrophobicContact CG1-CZ 4.49Å; I512-F516 HydrophobicContact CG2-CZ 4.41Å; G514-F516 VanDerWaalsContact O-CE2 3.28Å; G514-F516 WeakPolarHBondContact O-CE2 3.48Å; F516-I519 HydrophobicContact CB-CD1 4.29Å; F516-I519 HydrophobicContact CB-CG1 3.9Å; F516-I519 HydrophobicContact CD1-CG1 4.49Å; F516-I519 HydrophobicContact CD2-CD1 3.9Å; F516-I519 HydrophobicContact CD2-CG1 4.26Å; F516-I519 HydrophobicContact CG-CD1 4.13Å; F516-I519 HydrophobicContact CG-CG1 3.96Å; F516-L550 HydrophobicContact CD1-CB 4.11Å; F516-L550 HydrophobicContact CE1-CB 4.03Å; F516-L550 HydrophobicContact CE1-CD1 3.86Å; F516-L550 HydrophobicContact CE1-CG 4.45Å; F516-L550 HydrophobicContact CZ-CD1 4.31Å; F516-V551 CarbonylContact C-O 3.53Å; F516-V551 VanDerWaalsContact CA-O 3.31Å; F516-V551 WeakPolarHBondContact CA-O 3.36Å; F516-H552 AromaticContact CD1-ND1 3.93Å; F516-H552 AromaticContact CE1-CE1 3.56Å; F516-H552 AromaticContact CE1-ND1 3.59Å
517L95.3Very high92.3Very high4 Ų431.6 Ų31.62%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-76.1-39165.4-71.3168000110.6F297 A328 V551 C554 F559F297-L517 PolarHBondContact N-O 3.37Å; A328-L517 WeakPolarHBondContact O-CD2 3.22Å; L517-V551 HydrophobicContact CB-CB 4.45Å; L517-V551 HydrophobicContact CB-CG1 4.08Å; L517-V551 HydrophobicContact CD1-CG1 4.3Å; L517-V551 PolarHBondContact N-O 3.4Å; L517-C554 VanDerWaalsContact CD1-SG 3.5Å; L517-F559 HydrophobicContact CD1-CB 4.49Å; L517-F559 HydrophobicContact CD1-CD2 4.26Å; L517-F559 HydrophobicContact CD1-CG 4.37Å
518A96.1Very high93.4Very high2 Ų227.2 Ų27.22%0.01714%0.137CC..EExtended strand (participates in β ladder)trans-150.5147.8178.200000111Y295 F297 V551Y295-A518 CarbonylContact O-C 3.4Å; Y295-A518 VanDerWaalsContact O-CA 3.28Å; Y295-A518 WeakPolarHBondContact O-CA 3.14Å; F297-A518 HydrophobicContact CB-CB 3.97Å; A518-V551 HydrophobicContact CB-CB 4.01Å; A518-V551 HydrophobicContact CB-CG2 3.86Å; A518-V551 PolarHBondContact N-O 3.16Å; A518-V551 WeakPolarHBondContact O-CB 3.38Å; A518-V551 PolarHBondContact O-N 3.5Å
519I97.4Very high93.2Very high1 Ų125 Ų251%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-127.5119.6167.3-56.2164.3000105.9G294 Y295 I334 F516 L548 V549 L550 F594 W660G294-I519 CarbonylContact C-O 3.57Å; G294-I519 WeakPolarHBondContact CA-O 3.45Å; Y295-I519 HydrophobicContact CD1-CD1 3.93Å; Y295-I519 HydrophobicContact CD1-CG1 4.49Å; Y295-I519 PolarHBondContact N-O 3.38Å; Y295-I519 PolarHBondContact O-N 2.91Å; I334-I519 HydrophobicContact CD1-CD1 3.71Å; I334-I519 HydrophobicContact CD1-CG1 4.12Å; I334-I519 HydrophobicContact CD1-CG2 4.34Å; I334-I519 HydrophobicContact CG1-CD1 4.25Å; F516-I519 HydrophobicContact CB-CD1 4.29Å; F516-I519 HydrophobicContact CB-CG1 3.9Å; F516-I519 HydrophobicContact CD1-CG1 4.49Å; F516-I519 HydrophobicContact CD2-CD1 3.9Å; F516-I519 HydrophobicContact CD2-CG1 4.26Å; F516-I519 HydrophobicContact CG-CD1 4.13Å; F516-I519 HydrophobicContact CG-CG1 3.96Å; I519-L548 HydrophobicContact CG2-CD1 3.95Å; I519-V549 WeakPolarHBondContact CA-O 3.41Å; I519-L550 HydrophobicContact CB-CD2 4.45Å; I519-L550 HydrophobicContact CG1-CD2 4.31Å; I519-L550 HydrophobicContact CG2-CD2 3.72Å; I519-F594 HydrophobicContact CD1-CD2 3.87Å; I519-F594 HydrophobicContact CD1-CE2 3.45Å; I519-F594 VanDerWaalsContact CD1-CE2 3.45Å; I519-F594 HydrophobicContact CD1-CZ 3.9Å; I519-W660 HydrophobicContact CB-CH2 4.22Å; I519-W660 HydrophobicContact CG2-CH2 3.77Å; I519-W660 HydrophobicContact CG2-CZ3 4.44Å
520N97.6Very high92.4Very high10 Ų1026.6 Ų26.65%0.05314%0.137CC..EExtended strand (participates in β ladder)trans-121.9135.8177.9-59.4-41.8000109.7L293 F522 V549L293-N520 CarbonylContact O-C 3.5Å; L293-N520 VanDerWaalsContact O-CA 3.29Å; L293-N520 WeakPolarHBondContact O-CA 3.35Å; N520-F522 HydrophobicContact CB-CD2 4.13Å; N520-F522 HydrophobicContact CB-CE1 4.29Å; N520-F522 HydrophobicContact CB-CE2 3.43Å; N520-F522 VanDerWaalsContact CB-CE2 3.43Å; N520-F522 HydrophobicContact CB-CZ 3.51Å; N520-V549 PolarHBondContact N-O 2.9Å; N520-V549 PolarHBondContact O-N 3.29Å
521A98Very high91.9Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-116.4105.4175.300000107.9M292 L293 L546 L548 F592M292-A521 CarbonylContact C-O 3.49Å; M292-A521 WeakPolarHBondContact CA-O 3.31Å; L293-A521 HydrophobicContact CB-CB 4.25Å; L293-A521 HydrophobicContact CD1-CB 4.09Å; L293-A521 PolarHBondContact N-O 2.68Å; L293-A521 PolarHBondContact O-N 3.43Å; A521-L546 HydrophobicContact CB-CD1 3.72Å; A521-L546 HydrophobicContact CB-CD2 4.15Å; A521-L548 HydrophobicContact CB-CD1 4.14Å; A521-F592 HydrophobicContact CB-CD1 4.49Å; A521-F592 HydrophobicContact CB-CE1 3.58Å; A521-F592 HydrophobicContact CB-CZ 3.8Å
522F97.2Very high91.3Very high2 Ų221.8 Ų21.81%0.00911%0.114CC..EExtended strand (participates in β ladder)trans-98.2112.2-175.8-63.5-72.6000110.4M292 N520 Q524 P535 A536 L546 D547 V549M292-F522 HydrophobicContact CB-CD1 3.78Å; M292-F522 HydrophobicContact CB-CE1 4.21Å; M292-F522 HydrophobicContact CE-CD1 4.17Å; M292-F522 HydrophobicContact CE-CE1 3.81Å; M292-F522 HydrophobicContact SD-CD1 4.24Å; M292-F522 HydrophobicContact SD-CE1 3.7Å; N520-F522 HydrophobicContact CB-CD2 4.13Å; N520-F522 HydrophobicContact CB-CE1 4.29Å; N520-F522 HydrophobicContact CB-CE2 3.43Å; N520-F522 VanDerWaalsContact CB-CE2 3.43Å; N520-F522 HydrophobicContact CB-CZ 3.51Å; F522-Q524 VanDerWaalsContact C-N 3.33Å; F522-P535 HydrophobicContact CD1-CG 3.96Å; F522-P535 HydrophobicContact CE1-CB 3.88Å; F522-P535 HydrophobicContact CE1-CG 3.32Å; F522-P535 HydrophobicContact CE2-CB 4.14Å; F522-P535 HydrophobicContact CE2-CG 4.41Å; F522-P535 HydrophobicContact CZ-CB 3.55Å; F522-P535 HydrophobicContact CZ-CG 3.58Å; F522-A536 HydrophobicContact CB-CB 3.48Å; F522-A536 VanDerWaalsContact CB-CB 3.48Å; F522-A536 HydrophobicContact CD1-CB 4.4Å; F522-A536 HydrophobicContact CD2-CB 3.66Å; F522-A536 HydrophobicContact CE2-CB 4.47Å; F522-A536 HydrophobicContact CG-CB 3.6Å; F522-L546 WeakPolarHBondContact O-CA 3.32Å; F522-L546 WeakPolarHBondContact O-CB 3.48Å; F522-D547 HydrophobicContact CB-CB 4.43Å; F522-D547 PolarHBondContact N-O 3.49Å; F522-D547 PolarHBondContact O-N 3.39Å; F522-V549 HydrophobicContact CD2-CG2 3.82Å; F522-V549 HydrophobicContact CE2-CB 4.23Å; F522-V549 HydrophobicContact CE2-CG2 3.89Å
523V96.6Very high91Very high1 Ų120.4 Ų20.41%0.00611%0.107CC..SBendtrans-77.6-28.7172.8-169.70000110D273 V275 V289 T291D273-V523 HydrophobicContact CB-CG1 4.07Å; V275-V523 HydrophobicContact CB-CG2 4.37Å; V275-V523 HydrophobicContact CG2-CG2 3.61Å; V289-V523 HydrophobicContact CG1-CG2 4.31Å; T291-V523 WeakPolarHBondContact O-CB 3.3Å; T291-V523 PolarHBondContact O-N 2.95Å
524Q94.5Very high90.7Very high1 Ų115.2 Ų15.21%0.0059%0.088CC..SBendtrans-132.4165.8178.3-56.6-177.7-3100110.1T291 F522 C526 A539 L541T291-Q524 PolarHBondContact O-N 2.81Å; F522-Q524 VanDerWaalsContact C-N 3.33Å; Q524-C526 PolarHBondContact O-N 3.47Å; Q524-C526 PolarHBondContact O-SG 3.14Å; Q524-A539 VanDerWaalsContact C-CB 3.5Å; Q524-L541 HydrophobicContact CB-CD2 4.13Å; Q524-L541 HydrophobicContact CG-CD2 3.79Å
525S92.5Very high90.6Very high4 Ų414.8 Ų14.83%0.0288%0.083CC..  trans-62.7-19.4178.758.60000114.4R527 G534 P535 A536S525-R527 VanDerWaalsContact C-N 3.29Å; S525-R527 PolarHBondContact O-N 2.83Å; S525-R527 WeakPolarHBondContact OG-CG 3.39Å; S525-R527 PolarHBondContact OG-NE 3.38Å; S525-G534 CarbonylContact O-C 3.58Å; S525-G534 VanDerWaalsContact O-CA 3.26Å; S525-G534 WeakPolarHBondContact O-CA 3.34Å; S525-P535 VanDerWaalsContact O-CD 3.27Å; S525-P535 WeakPolarHBondContact O-CD 3.37Å; S525-A536 WeakPolarHBondContact CA-O 3.24Å; S525-A536 WeakPolarHBondContact CB-O 3.42Å; S525-A536 PolarHBondContact O-N 3.36Å
526C91.6Very high90.4Very high7 Ų712.4 Ų12.45%0.0477%0.068CC..  trans57.640.1179.1-60.30000112.8M292 Q524 P535M292-C526 HydrophobicContact CE-CB 3.74Å; M292-C526 WeakPolarHBondContact CE-SG 3.48Å; Q524-C526 PolarHBondContact O-N 3.47Å; Q524-C526 PolarHBondContact O-SG 3.14Å; C526-P535 HydrophobicContact CB-CG 3.96Å
527R89.7Confident90.1Very high15 Ų1512.4 Ų12.46%0.0577%0.068CC..  trans-62.7141.5175.1-66.9174.2-166.9173.79.9111A246 Y249 C352 S525 A531 V532A246-R527 VanDerWaalsContact CA-O 3.31Å; A246-R527 WeakPolarHBondContact CA-O 3.45Å; Y249-R527 HydrophobicContact CG-CB 4.36Å; C352-R527 PolarHBondContact O-NH2 3.49Å; S525-R527 VanDerWaalsContact C-N 3.29Å; S525-R527 PolarHBondContact O-N 2.83Å; S525-R527 WeakPolarHBondContact OG-CG 3.39Å; S525-R527 PolarHBondContact OG-NE 3.38Å; R527-A531 WeakPolarHBondContact CA-O 3.45Å; R527-V532 WeakPolarHBondContact CD-O 3.3Å; R527-V532 VanDerWaalsContact CG-O 3.28Å; R527-V532 WeakPolarHBondContact CG-O 2.98Å
528C83.4Confident89.8Confident3 Ų312.6 Ų12.62%0.027%0.069CC..  trans-150.8-179.5171.470.70000111.3T244 R530 A531 V532T244-C528 HydrophobicContact CG2-CB 3.78Å; C528-R530 PolarHBondContact O-N 2.7Å; C528-R530 VanDerWaalsContact O-N 3.16Å; C528-R530 PolarHBondContact SG-N 3.1Å; C528-A531 PolarHBondContact N-O 3.31Å; C528-A531 CarbonylContact O-C 3.52Å; C528-A531 VanDerWaalsContact O-C 3.23Å; C528-A531 PolarHBondContact O-N 3.28Å; C528-A531 PolarHBondContact SG-N 3.15Å; C528-V532 WeakPolarHBondContact O-CA 3.17Å; C528-V532 PolarHBondContact O-N 2.85Å
529S76.9Confident89.7Confident64 Ų6412.6 Ų12.645%0.4487%0.069SC..SBendtrans-59.8-25.7177.257.50000113.7
530R72.3Confident89.5Confident80 Ų8012.9 Ų12.930%0.3027%0.07SC..SBendtrans-87.2-49.8177.8-67.4-179.6178.584.7-8112.3D435 C528D435-R530 IonicContact OD2-CZ 3.78Å; D435-R530 IonicContact OD2-NE 3.76Å; D435-R530 PolarHBondContact OD2-NE 3.32Å; D435-R530 IonicContact OD2-NH2 3.01Å; C528-R530 PolarHBondContact O-N 2.7Å; C528-R530 VanDerWaalsContact O-N 3.16Å; C528-R530 PolarHBondContact SG-N 3.1Å
531A81Confident89.3Confident1 Ų112.7 Ų12.71%0.0087%0.069CC..SBendtrans-109.586.817700000109.3R527 C528 C533 G534 I566R527-A531 WeakPolarHBondContact CA-O 3.45Å; C528-A531 PolarHBondContact N-O 3.31Å; C528-A531 CarbonylContact O-C 3.52Å; C528-A531 VanDerWaalsContact O-C 3.23Å; C528-A531 PolarHBondContact O-N 3.28Å; C528-A531 PolarHBondContact SG-N 3.15Å; A531-C533 VanDerWaalsContact C-N 3.29Å; A531-C533 PolarHBondContact O-N 3.49Å; A531-G534 WeakPolarHBondContact O-CA 3.27Å; A531-G534 PolarHBondContact O-N 2.95Å; A531-I566 HydrophobicContact CB-CG2 4.21Å
532V83.2Confident89.1Confident54 Ų5412.7 Ų12.733%0.3277%0.069SC..SBendtrans-65-33.5-169.9171.80000112.4R527 C528R527-V532 WeakPolarHBondContact CD-O 3.3Å; R527-V532 VanDerWaalsContact CG-O 3.28Å; R527-V532 WeakPolarHBondContact CG-O 2.98Å; C528-V532 WeakPolarHBondContact O-CA 3.17Å; C528-V532 PolarHBondContact O-N 2.85Å
533C86.8Confident88.8Confident4 Ų412.7 Ų12.73%0.0277%0.069CC..SBendtrans-89.2-13.3172.8-61.10000112.8A531 P537 N569 M572A531-C533 VanDerWaalsContact C-N 3.29Å; A531-C533 PolarHBondContact O-N 3.49Å; C533-P537 HydrophobicContact CB-CB 4.47Å; C533-P537 HydrophobicContact CB-CG 4.47Å; C533-P537 WeakPolarHBondContact O-CA 3.37Å; C533-N569 HydrophobicContact CB-CB 4.44Å; C533-N569 PolarHBondContact SG-O 2.84Å; C533-N569 PolarHBondContact SG-OD1 3.33Å; C533-M572 HydrophobicContact CB-CE 4.44Å; C533-M572 HydrophobicContact CB-CG 4Å; C533-M572 WeakPolarHBondContact SG-CG 3.28Å
534G89.5Confident88.6Confident1 Ų112.9 Ų12.91%0.017%0.071CC..  trans72.9168.4-176.400000113.9S525 A531 A536S525-G534 CarbonylContact O-C 3.58Å; S525-G534 VanDerWaalsContact O-CA 3.26Å; S525-G534 WeakPolarHBondContact O-CA 3.34Å; A531-G534 WeakPolarHBondContact O-CA 3.27Å; A531-G534 PolarHBondContact O-N 2.95Å; G534-A536 VanDerWaalsContact C-N 3.31Å
535P90.7Very high88.6Confident6 Ų612.9 Ų12.94%0.0397%0.071CC..SBendtrans-71.9-18.9177.529.2-38.1000114.5F522 S525 C526 I566 F579F522-P535 HydrophobicContact CD1-CG 3.96Å; F522-P535 HydrophobicContact CE1-CB 3.88Å; F522-P535 HydrophobicContact CE1-CG 3.32Å; F522-P535 HydrophobicContact CE2-CB 4.14Å; F522-P535 HydrophobicContact CE2-CG 4.41Å; F522-P535 HydrophobicContact CZ-CB 3.55Å; F522-P535 HydrophobicContact CZ-CG 3.58Å; S525-P535 VanDerWaalsContact O-CD 3.27Å; S525-P535 WeakPolarHBondContact O-CD 3.37Å; C526-P535 HydrophobicContact CB-CG 3.96Å; P535-I566 HydrophobicContact CB-CD1 4.18Å; P535-I566 HydrophobicContact CB-CG2 4.05Å; P535-F579 WeakPolarHBondContact O-CE1 3.42Å
536A92.6Very high88.7Confident0 Ų012.8 Ų12.80%07%0.07CC..SBendtrans-12574.1173.800000111.2F522 S525 G534 W538 A539 D547 F579F522-A536 HydrophobicContact CB-CB 3.48Å; F522-A536 VanDerWaalsContact CB-CB 3.48Å; F522-A536 HydrophobicContact CD1-CB 4.4Å; F522-A536 HydrophobicContact CD2-CB 3.66Å; F522-A536 HydrophobicContact CE2-CB 4.47Å; F522-A536 HydrophobicContact CG-CB 3.6Å; S525-A536 WeakPolarHBondContact CA-O 3.24Å; S525-A536 WeakPolarHBondContact CB-O 3.42Å; S525-A536 PolarHBondContact O-N 3.36Å; G534-A536 VanDerWaalsContact C-N 3.31Å; A536-W538 PolarHBondContact O-N 3.23Å; A536-A539 HydrophobicContact CB-CB 4.01Å; A536-A539 WeakPolarHBondContact O-CB 3.22Å; A536-A539 PolarHBondContact O-N 3.33Å; A536-D547 HydrophobicContact CB-CB 4.35Å; A536-F579 HydrophobicContact CB-CZ 4.37Å
537P89.3Confident88.9Confident0 Ų012.4 Ų12.40%07%0.068CC..THydrogen-bonded Turntrans-56.8-28.5-166.7-2634.8000115.4C533 M572 P578C533-P537 HydrophobicContact CB-CB 4.47Å; C533-P537 HydrophobicContact CB-CG 4.47Å; C533-P537 WeakPolarHBondContact O-CA 3.37Å; P537-M572 HydrophobicContact CB-CE 3.51Å; P537-M572 WeakPolarHBondContact O-CE 3.23Å; P537-P578 HydrophobicContact CG-CG 4.36Å
538W89.6Confident89.3Confident9 Ų911.7 Ų11.73%0.0347%0.065CC..THydrogen-bonded Turntrans-106.312.6-175.7-53.4-75.9000113.8S346 G349 A536 H540 N577 F579S346-W538 VanDerWaalsContact O-CB 3.31Å; S346-W538 WeakPolarHBondContact O-CB 3.49Å; G349-W538 VanDerWaalsContact C-NE1 3.34Å; G349-W538 VanDerWaalsContact CA-CD1 3.44Å; G349-W538 PolarHBondContact O-NE1 2.89Å; A536-W538 PolarHBondContact O-N 3.23Å; W538-H540 PolarHBondContact O-CD2 3.22Å; W538-H540 VanDerWaalsContact O-CD2 3.23Å; W538-H540 PolarHBondContact O-N 3.39Å; W538-N577 HydrophobicContact CH2-CB 3.73Å; W538-N577 VanDerWaalsContact CH2-OD1 3.23Å; W538-N577 WeakPolarHBondContact CH2-OD1 3.31Å; W538-N577 HydrophobicContact CZ3-CB 4.47Å; W538-N577 WeakPolarHBondContact CZ3-OD1 3.49Å; W538-F579 AromaticContact CE3-CD2 3.92Å; W538-F579 HydrophobicContact CE3-CD2 3.92Å; W538-F579 AromaticContact CE3-CE2 3.73Å; W538-F579 HydrophobicContact CE3-CE2 3.73Å; W538-F579 AromaticContact CZ3-CD2 3.68Å; W538-F579 HydrophobicContact CZ3-CD2 3.68Å; W538-F579 AromaticContact CZ3-CE2 3.85Å; W538-F579 HydrophobicContact CZ3-CE2 3.85Å; W538-F579 HydrophobicContact CZ3-CG 4.48Å
539A92.6Very high89.9Confident2 Ų211.6 Ų11.62%0.0176%0.064CC..  trans-65.8131.9169.500000109.8Q524 A536Q524-A539 VanDerWaalsContact C-CB 3.5Å; A536-A539 HydrophobicContact CB-CB 4.01Å; A536-A539 WeakPolarHBondContact O-CB 3.22Å; A536-A539 PolarHBondContact O-N 3.33Å
540H93.3Very high90.9Very high6 Ų68.5 Ų8.53%0.0284%0.043CC..  trans-96.7156.5177.8-76.6-88.6000110.1C356 W538 D543C356-H540 PolarHBondContact SG-CE1 3.24Å; C356-H540 PolarHBondContact SG-ND1 3.16Å; W538-H540 PolarHBondContact O-CD2 3.22Å; W538-H540 VanDerWaalsContact O-CD2 3.23Å; W538-H540 PolarHBondContact O-N 3.39Å; H540-D543 HydrophobicContact CB-CB 3.9Å
541L94.7Very high92.1Very high6 Ų64.7 Ų4.73%0.0313%0.029CC..SBendtrans-86.9-19.8-175.2-62.2178.8000113.8S250 I270 L272 D273 Q524S250-L541 WeakPolarHBondContact O-CD1 3.15Å; I270-L541 HydrophobicContact CD1-CD1 3.67Å; L272-L541 CarbonylContact C-O 3.58Å; L272-L541 VanDerWaalsContact CA-O 3.23Å; L272-L541 WeakPolarHBondContact CA-O 3.27Å; L272-L541 HydrophobicContact CD2-CB 3.75Å; L272-L541 HydrophobicContact CD2-CD1 3.98Å; L272-L541 HydrophobicContact CD2-CD2 4.23Å; L272-L541 HydrophobicContact CD2-CG 4.19Å; D273-L541 PolarHBondContact N-O 3.26Å; Q524-L541 HydrophobicContact CB-CD2 4.13Å; Q524-L541 HydrophobicContact CG-CD2 3.79Å
542G93.2Very high92.8Very high0 Ų05.7 Ų5.70%03%0.033CC..SBendtrans-14726.7-165.600000114.2D273 R678 K679D273-G542 VanDerWaalsContact OD1-CA 3.27Å; D273-G542 WeakPolarHBondContact OD1-CA 3.35Å; D273-G542 WeakPolarHBondContact OD2-CA 3.2Å; G542-R678 PolarHBondContact O-NE 3.08Å; G542-R678 PolarHBondContact O-NH2 2.87Å; G542-K679 VanDerWaalsContact O-CE 3.27Å; G542-K679 WeakPolarHBondContact O-CE 3.33Å
543D91.9Very high93.3Very high2 Ų29.9 Ų9.91%0.0115%0.047CC..SBendtrans-93.6-4.5-176.172.4-13.4000113.1D273 N344 V358 H365 H540 C545 K588D273-D543 PolarHBondContact OD2-N 3.08Å; N344-D543 WeakPolarHBondContact ND2-CB 3.31Å; N344-D543 PolarHBondContact ND2-OD2 2.78Å; N344-D543 PolarHBondContact OD1-OD2 2.8Å; V358-D543 HydrophobicContact CG1-CB 3.96Å; H365-D543 PolarHBondContact CD2-O 3.36Å; H365-D543 PolarHBondContact NE2-O 2.91Å; H540-D543 HydrophobicContact CB-CB 3.9Å; D543-C545 VanDerWaalsContact C-N 3.3Å; D543-C545 PolarHBondContact OD1-N 3.21Å; D543-K588 IonicContact OD2-NZ 3.34Å; D543-K588 PolarHBondContact OD2-NZ 2.83Å
544G92.2Very high93.7Very high5 Ų510.5 Ų10.55%0.0525%0.051CC..SBendtrans74.422.6-177.900000112.9D273 V676D273-G544 WeakPolarHBondContact OD2-CA 3.43Å; D273-G544 PolarHBondContact OD2-N 3.09Å; G544-V676 VanDerWaalsContact C-CG1 3.45Å
545C93.5Very high93.9Very high1 Ų113 Ų131%0.0077%0.069CC..  trans-135165.8-178.3-63.60000112.1C339 H365 D543 K588 V589C339-C545 PolarHBondContact SG-SG 2.89Å; H365-C545 PolarHBondContact CD2-SG 3.38Å; D543-C545 VanDerWaalsContact C-N 3.3Å; D543-C545 PolarHBondContact OD1-N 3.21Å; C545-K588 HydrophobicContact CB-CD 3.69Å; C545-K588 HydrophobicContact CB-CG 3.52Å; C545-V589 CarbonylContact C-O 3.47Å; C545-V589 VanDerWaalsContact CA-O 3.32Å; C545-V589 WeakPolarHBondContact CA-O 3.11Å
546L95.7Very high94Very high2 Ų217.3 Ų17.31%0.019%0.086CC..EExtended strand (participates in β ladder)trans-129.4157.316767.880.1000110.1V275 A521 F522 L548 K588 V589 F592 V676V275-L546 HydrophobicContact CG2-CD2 3.85Å; A521-L546 HydrophobicContact CB-CD1 3.72Å; A521-L546 HydrophobicContact CB-CD2 4.15Å; F522-L546 WeakPolarHBondContact O-CA 3.32Å; F522-L546 WeakPolarHBondContact O-CB 3.48Å; L546-L548 HydrophobicContact CD1-CB 3.94Å; L546-K588 WeakPolarHBondContact O-CA 3.35Å; L546-V589 HydrophobicContact CD1-CG2 3.46Å; L546-V589 VanDerWaalsContact CD1-CG2 3.46Å; L546-V589 HydrophobicContact CG-CG2 3.86Å; L546-V589 PolarHBondContact N-O 3.1Å; L546-V589 PolarHBondContact O-N 3.28Å; L546-F592 HydrophobicContact CD1-CD1 4.3Å; L546-F592 HydrophobicContact CD1-CE1 4.42Å; L546-F592 HydrophobicContact CD2-CD1 4.03Å; L546-F592 HydrophobicContact CD2-CE1 3.86Å; L546-V676 HydrophobicContact CB-CG2 4.15Å; L546-V676 HydrophobicContact CD2-CG2 3.66Å; L546-V676 HydrophobicContact CG-CG2 3.9Å
547D95.4Very high94Very high0 Ų021.2 Ų21.20%011%0.11CC..EExtended strand (participates in β ladder)trans-90.7108.2172.9-69.9-9.4000109.1S346 F522 A536 V586 K588S346-D547 WeakPolarHBondContact CB-OD1 3.45Å; S346-D547 PolarHBondContact OG-OD1 2.82Å; F522-D547 HydrophobicContact CB-CB 4.43Å; F522-D547 PolarHBondContact N-O 3.49Å; F522-D547 PolarHBondContact O-N 3.39Å; A536-D547 HydrophobicContact CB-CB 4.35Å; D547-V586 HydrophobicContact CB-CG1 4.49Å; D547-K588 IonicContact OD1-NZ 3.03Å; D547-K588 PolarHBondContact OD1-NZ 3.25Å
548L96.9Very high94.2Very high0 Ų024.2 Ų24.20%012%0.124CC..EExtended strand (participates in β ladder)trans-90.1105.4177-17662.8000109.7I334 F336 I519 A521 L546 L550 V586 M587 V589 F592I334-L548 HydrophobicContact CG2-CD2 3.89Å; F336-L548 HydrophobicContact CB-CD2 4.28Å; I519-L548 HydrophobicContact CG2-CD1 3.95Å; A521-L548 HydrophobicContact CB-CD1 4.14Å; L546-L548 HydrophobicContact CD1-CB 3.94Å; L548-L550 HydrophobicContact CD1-CD2 4.25Å; L548-L550 HydrophobicContact CD2-CD2 4.5Å; L548-L550 HydrophobicContact CG-CD2 3.98Å; L548-V586 WeakPolarHBondContact O-CA 3.32Å; L548-M587 WeakPolarHBondContact CB-O 3.29Å; L548-M587 HydrophobicContact CD2-CE 4.11Å; L548-M587 HydrophobicContact CG-CE 4.35Å; L548-M587 PolarHBondContact N-O 2.82Å; L548-M587 PolarHBondContact O-N 2.77Å; L548-V589 HydrophobicContact CB-CG1 4.36Å; L548-V589 HydrophobicContact CB-CG2 3.89Å; L548-V589 HydrophobicContact CD2-CG1 4.45Å; L548-V589 HydrophobicContact CD2-CG2 4.34Å; L548-F592 HydrophobicContact CD1-CD1 4.45Å; L548-F592 HydrophobicContact CD1-CD2 4.41Å; L548-F592 HydrophobicContact CD1-CG 4.35Å; L548-F592 HydrophobicContact CD2-CB 4.02Å; L548-F592 HydrophobicContact CD2-CG 4.28Å
549V96.4Very high94.4Very high0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-104.1114.1-175.4-177.80000110.1I519 N520 F522 F579 I584 S585 V586I519-V549 WeakPolarHBondContact CA-O 3.41Å; N520-V549 PolarHBondContact N-O 2.9Å; N520-V549 PolarHBondContact O-N 3.29Å; F522-V549 HydrophobicContact CD2-CG2 3.82Å; F522-V549 HydrophobicContact CE2-CB 4.23Å; F522-V549 HydrophobicContact CE2-CG2 3.89Å; V549-F579 HydrophobicContact CG1-CE1 4.45Å; V549-F579 HydrophobicContact CG2-CE1 3.82Å; V549-F579 HydrophobicContact CG2-CZ 4.08Å; V549-I584 HydrophobicContact CG1-CG2 3.97Å; V549-S585 WeakPolarHBondContact CA-O 3.39Å; V549-V586 HydrophobicContact CB-CG2 4.47Å; V549-V586 HydrophobicContact CG1-CG2 4.21Å; V549-V586 HydrophobicContact CG2-CG1 4.13Å; V549-V586 HydrophobicContact CG2-CG2 4Å
550L97.6Very high94.1Very high0 Ų026.5 Ų26.50%014%0.136CC..EExtended strand (participates in β ladder)trans-101.6117.4177.7-47.4-169.8000109.7I334 I512 F516 I519 L548 I584 S585 M587I334-L550 HydrophobicContact CD1-CD1 3.7Å; I334-L550 HydrophobicContact CD1-CD2 3.36Å; I334-L550 HydrophobicContact CD1-CG 4.16Å; I512-L550 HydrophobicContact CD1-CD1 4.31Å; F516-L550 HydrophobicContact CD1-CB 4.11Å; F516-L550 HydrophobicContact CE1-CB 4.03Å; F516-L550 HydrophobicContact CE1-CD1 3.86Å; F516-L550 HydrophobicContact CE1-CG 4.45Å; F516-L550 HydrophobicContact CZ-CD1 4.31Å; I519-L550 HydrophobicContact CB-CD2 4.45Å; I519-L550 HydrophobicContact CG1-CD2 4.31Å; I519-L550 HydrophobicContact CG2-CD2 3.72Å; L548-L550 HydrophobicContact CD1-CD2 4.25Å; L548-L550 HydrophobicContact CD2-CD2 4.5Å; L548-L550 HydrophobicContact CG-CD2 3.98Å; L550-I584 WeakPolarHBondContact O-CA 3.33Å; L550-S585 PolarHBondContact N-O 3.45Å; L550-S585 PolarHBondContact O-N 3.02Å; L550-M587 HydrophobicContact CD1-CE 3.46Å; L550-M587 VanDerWaalsContact CD1-CE 3.46Å; L550-M587 HydrophobicContact CD2-CE 4.33Å; L550-M587 HydrophobicContact CG-CE 3.69Å
551V97.3Very high94Very high0 Ų033.4 Ų33.40%016%0.162CC..EExtended strand (participates in β ladder)trans-9698.1171.7-171.30000108.1F516 L517 A518 F559 Y562 F583 I584F516-V551 CarbonylContact C-O 3.53Å; F516-V551 VanDerWaalsContact CA-O 3.31Å; F516-V551 WeakPolarHBondContact CA-O 3.36Å; L517-V551 HydrophobicContact CB-CB 4.45Å; L517-V551 HydrophobicContact CB-CG1 4.08Å; L517-V551 HydrophobicContact CD1-CG1 4.3Å; L517-V551 PolarHBondContact N-O 3.4Å; A518-V551 HydrophobicContact CB-CB 4.01Å; A518-V551 HydrophobicContact CB-CG2 3.86Å; A518-V551 PolarHBondContact N-O 3.16Å; A518-V551 WeakPolarHBondContact O-CB 3.38Å; A518-V551 PolarHBondContact O-N 3.5Å; V551-F559 HydrophobicContact CG1-CD2 3.94Å; V551-F559 HydrophobicContact CG1-CE2 3.96Å; V551-Y562 HydrophobicContact CG2-CE1 4.01Å; V551-F583 HydrophobicContact CG1-CD2 4.23Å; V551-I584 HydrophobicContact CB-CD1 4.03Å; V551-I584 HydrophobicContact CG1-CD1 3.82Å; V551-I584 HydrophobicContact CG2-CD1 3.65Å
552H96.4Very high93.8Very high22 Ų2233.3 Ų33.310%0.10216%0.161CC..EExtended strand (participates in β ladder)trans-67161.4176-64.7-86.4000111.1F516 C554 F583 S585F516-H552 AromaticContact CD1-ND1 3.93Å; F516-H552 AromaticContact CE1-CE1 3.56Å; F516-H552 AromaticContact CE1-ND1 3.59Å; H552-C554 PolarHBondContact O-N 3.4Å; H552-C554 VanDerWaalsContact O-N 3.14Å; H552-F583 HydrophobicContact CB-CB 4.45Å; H552-F583 WeakPolarHBondContact CB-O 3.5Å; H552-F583 PolarHBondContact CD2-O 3.19Å; H552-F583 PolarHBondContact N-O 3.16Å; H552-S585 PolarHBondContact CD2-OG 3.24Å; H552-S585 PolarHBondContact NE2-OG 2.83Å
553K94.4Very high93.5Very high142 Ų14233.9 Ų33.962%0.61716%0.164SC*.SBendtrans-55.1119.5176.7-172.6-179.9179.1-1730111.2T515T515-K553 HydrophobicContact CG2-CB 4.37Å; T515-K553 HydrophobicContact CG2-CD 4.29Å; T515-K553 PolarHBondContact O-N 3.29Å; T515-K553 VanDerWaalsContact O-N 3.1Å
554C94.8Very high93.2Very high16 Ų1637.6 Ų37.611%0.10818%0.183CC..  trans-139.5175.8176.369.70000111.3H327 L517 H552 Q558 F583H327-C554 PolarHBondContact NE2-O 3.25Å; L517-C554 VanDerWaalsContact CD1-SG 3.5Å; H552-C554 PolarHBondContact O-N 3.4Å; H552-C554 VanDerWaalsContact O-N 3.14Å; C554-Q558 HydrophobicContact CB-CB 4.16Å; C554-F583 HydrophobicContact CB-CB 3.81Å; C554-F583 HydrophobicContact CB-CD1 3.85Å; C554-F583 HydrophobicContact CB-CD2 3.82Å; C554-F583 HydrophobicContact CB-CE1 4.43Å; C554-F583 HydrophobicContact CB-CE2 4.39Å; C554-F583 HydrophobicContact CB-CG 3.52Å; C554-F583 WeakPolarHBondContact SG-CD2 3.28Å
555S94.5Very high93Very high55 Ų5538.4 Ų38.439%0.38519%0.187SC..  trans-69.1155.9175.368.30000112.1V557 Q558 F559S555-V557 VanDerWaalsContact C-N 3.26Å; S555-V557 PolarHBondContact O-N 3.35Å; S555-Q558 WeakPolarHBondContact O-CB 3.35Å; S555-Q558 PolarHBondContact O-N 3.48Å; S555-Q558 WeakPolarHBondContact OG-CB 3.31Å; S555-Q558 VanDerWaalsContact OG-CG 3.3Å; S555-Q558 WeakPolarHBondContact OG-CG 3.42Å; S555-Q558 PolarHBondContact OG-N 3.22Å; S555-Q558 PolarHBondContact OG-OE1 3.11Å; S555-F559 PolarHBondContact O-N 2.93Å
556K91.8Very high92.7Very high95 Ų9538.4 Ų38.441%0.41319%0.187SC..Hα-helixtrans-54.5-41.8174.7-75.3175.1173.5177.70112.6L325 H327 F559 I560L325-K556 VanDerWaalsContact O-CE 3.28Å; L325-K556 WeakPolarHBondContact O-CE 3.29Å; L325-K556 PolarHBondContact O-NZ 2.78Å; H327-K556 HydrophobicContact CB-CD 4.34Å; H327-K556 VanDerWaalsContact CB-CE 3.46Å; H327-K556 HydrophobicContact CB-CG 3.91Å; K556-F559 PolarHBondContact O-N 2.81Å; K556-I560 VanDerWaalsContact O-CG1 3.22Å; K556-I560 WeakPolarHBondContact O-CG1 3.5Å; K556-I560 PolarHBondContact O-N 3.27Å
557V91.9Very high91.8Very high83 Ų8339.3 Ų39.350%0.50320%0.195SC..Hα-helixtrans-63.8-43.8179.8178.90000111.1S555 I560 R561S555-V557 VanDerWaalsContact C-N 3.26Å; S555-V557 PolarHBondContact O-N 3.35Å; V557-I560 PolarHBondContact O-N 3.01Å; V557-R561 WeakPolarHBondContact O-CG 3.41Å; V557-R561 PolarHBondContact O-N 2.87Å
558Q94.5Very high90.9Very high62 Ų6245.5 Ų45.529%0.2922%0.224SC..Hα-helixtrans-61.6-44.7174.9-80.5167.7-4100111.8C554 S555 R561 Y562 F583C554-Q558 HydrophobicContact CB-CB 4.16Å; S555-Q558 WeakPolarHBondContact O-CB 3.35Å; S555-Q558 PolarHBondContact O-N 3.48Å; S555-Q558 WeakPolarHBondContact OG-CB 3.31Å; S555-Q558 VanDerWaalsContact OG-CG 3.3Å; S555-Q558 WeakPolarHBondContact OG-CG 3.42Å; S555-Q558 PolarHBondContact OG-N 3.22Å; S555-Q558 PolarHBondContact OG-OE1 3.11Å; Q558-R561 WeakPolarHBondContact O-CB 3.26Å; Q558-R561 PolarHBondContact O-N 3.46Å; Q558-Y562 PolarHBondContact O-N 2.95Å; Q558-F583 HydrophobicContact CB-CD1 4.26Å; Q558-F583 HydrophobicContact CB-CE1 3.56Å; Q558-F583 HydrophobicContact CB-CZ 3.82Å; Q558-F583 HydrophobicContact CG-CE1 3.95Å; Q558-F583 WeakPolarHBondContact O-CZ 3.47Å
559F93Very high90Very high2 Ų245.5 Ų45.51%0.00922%0.224CC..Hα-helixtrans-65.4-40.3178.6-173.2-119.5000112.7F297 L324 L517 V551 S555 K556 R561 Y562 L563F297-F559 HydrophobicContact CB-CZ 4.05Å; F297-F559 HydrophobicContact CD1-CE1 4.1Å; F297-F559 AromaticContact CD1-CZ 3.65Å; F297-F559 HydrophobicContact CD1-CZ 3.65Å; F297-F559 AromaticContact CD2-CE1 3.51Å; F297-F559 HydrophobicContact CD2-CE1 3.51Å; F297-F559 AromaticContact CD2-CZ 3.78Å; F297-F559 HydrophobicContact CD2-CZ 3.78Å; F297-F559 HydrophobicContact CE1-CE1 4.12Å; F297-F559 AromaticContact CE1-CZ 3.99Å; F297-F559 HydrophobicContact CE1-CZ 3.99Å; F297-F559 AromaticContact CE2-CE1 3.56Å; F297-F559 HydrophobicContact CE2-CE1 3.56Å; F297-F559 HydrophobicContact CE2-CZ 4.12Å; F297-F559 AromaticContact CG-CE1 3.8Å; F297-F559 HydrophobicContact CG-CE1 3.8Å; F297-F559 AromaticContact CG-CZ 3.53Å; F297-F559 HydrophobicContact CG-CZ 3.53Å; F297-F559 AromaticContact CZ-CE1 3.86Å; F297-F559 HydrophobicContact CZ-CE1 3.86Å; F297-F559 HydrophobicContact CZ-CZ 4.21Å; L324-F559 HydrophobicContact CD1-CD1 3.69Å; L324-F559 HydrophobicContact CD1-CE1 4.02Å; L517-F559 HydrophobicContact CD1-CB 4.49Å; L517-F559 HydrophobicContact CD1-CD2 4.26Å; L517-F559 HydrophobicContact CD1-CG 4.37Å; V551-F559 HydrophobicContact CG1-CD2 3.94Å; V551-F559 HydrophobicContact CG1-CE2 3.96Å; S555-F559 PolarHBondContact O-N 2.93Å; K556-F559 PolarHBondContact O-N 2.81Å; F559-R561 VanDerWaalsContact C-N 3.33Å; F559-R561 PolarHBondContact O-N 3.04Å; F559-Y562 HydrophobicContact CD2-CD1 4.09Å; F559-Y562 AromaticContact CE2-CD1 3.99Å; F559-Y562 HydrophobicContact CE2-CD1 3.99Å; F559-Y562 HydrophobicContact CE2-CE1 4.36Å; F559-Y562 WeakPolarHBondContact O-CB 3.23Å; F559-Y562 PolarHBondContact O-N 3.36Å; F559-L563 HydrophobicContact CD1-CD1 4.09Å; F559-L563 HydrophobicContact CD1-CG 4.49Å; F559-L563 HydrophobicContact CE1-CD1 3.72Å; F559-L563 HydrophobicContact CE1-CD2 4.49Å; F559-L563 HydrophobicContact CE1-CG 4.19Å; F559-L563 HydrophobicContact CE2-CD2 4.42Å; F559-L563 HydrophobicContact CE2-CG 4.48Å; F559-L563 HydrophobicContact CZ-CD1 4.14Å; F559-L563 HydrophobicContact CZ-CD2 4.07Å; F559-L563 HydrophobicContact CZ-CG 4.18Å; F559-L563 WeakPolarHBondContact O-CG 3.45Å; F559-L563 PolarHBondContact O-N 2.87Å
560I87.8Confident89.2Confident57 Ų5751.6 Ų51.629%0.29225%0.247SC..Hα-helixtrans-60.6-42.7173.2-69167.2000111L324 K556 V557 Y562 L563 M564L324-I560 HydrophobicContact CD1-CD1 4.48Å; L324-I560 HydrophobicContact CD1-CG1 3.8Å; L324-I560 HydrophobicContact CD2-CD1 3.95Å; L324-I560 HydrophobicContact CD2-CG1 3.81Å; L324-I560 HydrophobicContact CG-CD1 4.46Å; L324-I560 HydrophobicContact CG-CG1 4.24Å; K556-I560 VanDerWaalsContact O-CG1 3.22Å; K556-I560 WeakPolarHBondContact O-CG1 3.5Å; K556-I560 PolarHBondContact O-N 3.27Å; V557-I560 PolarHBondContact O-N 3.01Å; I560-Y562 VanDerWaalsContact C-N 3.32Å; I560-Y562 PolarHBondContact O-N 3.19Å; I560-L563 PolarHBondContact O-N 3.1Å; I560-M564 HydrophobicContact CG2-CE 3.52Å; I560-M564 HydrophobicContact CG2-CG 4.3Å; I560-M564 HydrophobicContact CG2-SD 3.95Å; I560-M564 WeakPolarHBondContact O-CB 3.31Å; I560-M564 WeakPolarHBondContact O-CG 3.46Å; I560-M564 PolarHBondContact O-N 2.84Å
561R89.5Confident88.2Confident152 Ų15257.4 Ų57.457%0.57427%0.274SS*.Hα-helixtrans-60.6-40.6175.8-74.7173.6173.5159.1-1.8112.2V557 Q558 F559 M564 S565 F581V557-R561 WeakPolarHBondContact O-CG 3.41Å; V557-R561 PolarHBondContact O-N 2.87Å; Q558-R561 WeakPolarHBondContact O-CB 3.26Å; Q558-R561 PolarHBondContact O-N 3.46Å; F559-R561 VanDerWaalsContact C-N 3.33Å; F559-R561 PolarHBondContact O-N 3.04Å; R561-M564 PolarHBondContact O-N 3.39Å; R561-S565 WeakPolarHBondContact O-CB 3.38Å; R561-S565 PolarHBondContact O-N 2.77Å; R561-F581 HydrophobicContact CB-CE1 4.05Å; R561-F581 HydrophobicContact CB-CZ 4.28Å
562Y90.9Very high87.2Confident4 Ų460.3 Ų60.32%0.01629%0.288CS..Hα-helixtrans-61.9-48.1173.9166.4-109.4000112V551 Q558 F559 I560 M564 S565 I566 P578 F581 I584V551-Y562 HydrophobicContact CG2-CE1 4.01Å; Q558-Y562 PolarHBondContact O-N 2.95Å; F559-Y562 HydrophobicContact CD2-CD1 4.09Å; F559-Y562 AromaticContact CE2-CD1 3.99Å; F559-Y562 HydrophobicContact CE2-CD1 3.99Å; F559-Y562 HydrophobicContact CE2-CE1 4.36Å; F559-Y562 WeakPolarHBondContact O-CB 3.23Å; F559-Y562 PolarHBondContact O-N 3.36Å; I560-Y562 VanDerWaalsContact C-N 3.32Å; I560-Y562 PolarHBondContact O-N 3.19Å; Y562-M564 PolarHBondContact O-N 3.08Å; Y562-S565 WeakPolarHBondContact O-CB 3.47Å; Y562-S565 PolarHBondContact O-N 2.92Å; Y562-I566 HydrophobicContact CD1-CD1 4.47Å; Y562-I566 HydrophobicContact CD2-CD1 4.5Å; Y562-I566 HydrophobicContact CE1-CD1 3.86Å; Y562-I566 HydrophobicContact CE2-CD1 3.89Å; Y562-I566 HydrophobicContact CE2-CG1 4.39Å; Y562-I566 PolarHBondContact O-N 3.17Å; Y562-P578 HydrophobicContact CD2-CB 4.44Å; Y562-P578 WeakPolarHBondContact CD2-O 3.39Å; Y562-P578 HydrophobicContact CE2-CB 4.13Å; Y562-P578 WeakPolarHBondContact CE2-O 3.28Å; Y562-F581 AromaticContact CD2-CD2 3.97Å; Y562-F581 HydrophobicContact CD2-CD2 3.97Å; Y562-F581 HydrophobicContact CD2-CE2 4.27Å; Y562-I584 HydrophobicContact CD1-CD1 4.33Å; Y562-I584 HydrophobicContact CD2-CD1 3.84Å; Y562-I584 HydrophobicContact CD2-CG1 4.02Å; Y562-I584 HydrophobicContact CE1-CD1 4.21Å; Y562-I584 HydrophobicContact CE2-CD1 3.7Å; Y562-I584 HydrophobicContact CE2-CG1 4.07Å; Y562-I584 HydrophobicContact CG-CD1 4.13Å
563L87.6Confident86.2Confident11 Ų1161.2 Ų61.26%0.05830%0.295CS..Hα-helixtrans-59-44.7175.7-70.1-177.5000112.1F297 L324 V436 L438 F559 I560 I566 A567F297-L563 HydrophobicContact CE1-CD1 4.28Å; F297-L563 HydrophobicContact CE1-CD2 4.23Å; F297-L563 HydrophobicContact CZ-CD1 4.03Å; L324-L563 HydrophobicContact CD1-CD1 4.14Å; V436-L563 HydrophobicContact CG1-CB 3.88Å; V436-L563 HydrophobicContact CG1-CD2 4.04Å; V436-L563 WeakPolarHBondContact CG1-O 3.36Å; V436-L563 HydrophobicContact CG2-CB 3.96Å; L438-L563 HydrophobicContact CD1-CD2 3.45Å; L438-L563 VanDerWaalsContact CD1-CD2 3.45Å; F559-L563 HydrophobicContact CD1-CD1 4.09Å; F559-L563 HydrophobicContact CD1-CG 4.49Å; F559-L563 HydrophobicContact CE1-CD1 3.72Å; F559-L563 HydrophobicContact CE1-CD2 4.49Å; F559-L563 HydrophobicContact CE1-CG 4.19Å; F559-L563 HydrophobicContact CE2-CD2 4.42Å; F559-L563 HydrophobicContact CE2-CG 4.48Å; F559-L563 HydrophobicContact CZ-CD1 4.14Å; F559-L563 HydrophobicContact CZ-CD2 4.07Å; F559-L563 HydrophobicContact CZ-CG 4.18Å; F559-L563 WeakPolarHBondContact O-CG 3.45Å; F559-L563 PolarHBondContact O-N 2.87Å; I560-L563 PolarHBondContact O-N 3.1Å; L563-I566 PolarHBondContact O-N 2.93Å; L563-A567 PolarHBondContact O-N 3.42Å
564M84.8Confident85.2Confident81 Ų8158.9 Ų58.940%0.39929%0.294SS..Hα-helixtrans-63.4-40.6176.4-73.1178177.600112I560 R561 Y562 I566 A567 Q568I560-M564 HydrophobicContact CG2-CE 3.52Å; I560-M564 HydrophobicContact CG2-CG 4.3Å; I560-M564 HydrophobicContact CG2-SD 3.95Å; I560-M564 WeakPolarHBondContact O-CB 3.31Å; I560-M564 WeakPolarHBondContact O-CG 3.46Å; I560-M564 PolarHBondContact O-N 2.84Å; R561-M564 PolarHBondContact O-N 3.39Å; Y562-M564 PolarHBondContact O-N 3.08Å; M564-I566 VanDerWaalsContact C-N 3.3Å; M564-I566 PolarHBondContact O-N 2.95Å; M564-A567 PolarHBondContact O-N 2.72Å; M564-Q568 VanDerWaalsContact O-CB 3.23Å; M564-Q568 WeakPolarHBondContact O-CB 3.49Å; M564-Q568 VanDerWaalsContact O-CG 3.29Å; M564-Q568 WeakPolarHBondContact O-CG 3.18Å; M564-Q568 PolarHBondContact O-N 3.01Å
565S88.1Confident84.3Confident21 Ų2165.4 Ų65.415%0.14732%0.323CS..Hα-helixtrans-57.5-42176.1169.50000111.8R561 Y562 N569R561-S565 WeakPolarHBondContact O-CB 3.38Å; R561-S565 PolarHBondContact O-N 2.77Å; Y562-S565 WeakPolarHBondContact O-CB 3.47Å; Y562-S565 PolarHBondContact O-N 2.92Å; S565-N569 VanDerWaalsContact O-CB 3.27Å; S565-N569 WeakPolarHBondContact O-CB 3.26Å; S565-N569 PolarHBondContact O-N 2.92Å
566I86.7Confident83.4Confident2 Ų265.9 Ų65.91%0.0132%0.32CS..Hα-helixtrans-62.9-46.6174.8-66.6168.9000111.8A531 P535 Y562 L563 M564 P578A531-I566 HydrophobicContact CB-CG2 4.21Å; P535-I566 HydrophobicContact CB-CD1 4.18Å; P535-I566 HydrophobicContact CB-CG2 4.05Å; Y562-I566 HydrophobicContact CD1-CD1 4.47Å; Y562-I566 HydrophobicContact CD2-CD1 4.5Å; Y562-I566 HydrophobicContact CE1-CD1 3.86Å; Y562-I566 HydrophobicContact CE2-CD1 3.89Å; Y562-I566 HydrophobicContact CE2-CG1 4.39Å; Y562-I566 PolarHBondContact O-N 3.17Å; L563-I566 PolarHBondContact O-N 2.93Å; M564-I566 VanDerWaalsContact C-N 3.3Å; M564-I566 PolarHBondContact O-N 2.95Å; I566-P578 HydrophobicContact CG1-CB 3.73Å; I566-P578 HydrophobicContact CG1-CG 4.34Å
567A77.4Confident83.1Confident21 Ų2162.2 Ų62.217%0.17430%0.304CS..Hα-helixtrans-72.1-30.6-176.300000113.3V436 L563 M564V436-A567 HydrophobicContact CG1-CB 4.3Å; L563-A567 PolarHBondContact O-N 3.42Å; M564-A567 PolarHBondContact O-N 2.72Å
568Q77.7Confident82.8Confident129 Ų12958.2 Ų58.260%0.60328%0.28SS*.Hα-helixtrans-92.6-16.8-176.2-68.4175.5-11.900113.2M564 R570M564-Q568 VanDerWaalsContact O-CB 3.23Å; M564-Q568 WeakPolarHBondContact O-CB 3.49Å; M564-Q568 VanDerWaalsContact O-CG 3.29Å; M564-Q568 WeakPolarHBondContact O-CG 3.18Å; M564-Q568 PolarHBondContact O-N 3.01Å; Q568-R570 WeakPolarHBondContact O-CG 3.19Å; Q568-R570 PolarHBondContact O-N 3.26Å
569N77.7Confident82.6Confident1 Ų156.4 Ų56.41%0.00527%0.271CS..  trans-61.8105.7177.2-173.1-33.6000110.1C533 S565 H571 E576C533-N569 HydrophobicContact CB-CB 4.44Å; C533-N569 PolarHBondContact SG-O 2.84Å; C533-N569 PolarHBondContact SG-OD1 3.33Å; S565-N569 VanDerWaalsContact O-CB 3.27Å; S565-N569 WeakPolarHBondContact O-CB 3.26Å; S565-N569 PolarHBondContact O-N 2.92Å; N569-H571 PolarHBondContact OD1-O 3.07Å; N569-E576 WeakPolarHBondContact CA-OE2 3.24Å; N569-E576 HydrophobicContact CB-CB 4.35Å; N569-E576 PolarHBondContact ND2-O 3.03Å
570R78.9Confident82.4Confident127 Ų12761.3 Ų61.348%0.47930%0.298SS..  trans-108.8-25.1177.8-63-54.7-179174.6-5.7111.3Q568 E576Q568-R570 WeakPolarHBondContact O-CG 3.19Å; Q568-R570 PolarHBondContact O-N 3.26Å; R570-E576 PolarHBondContact N-OE2 2.8Å; R570-E576 VanDerWaalsContact N-OE2 3.14Å
571H76.6Confident82.6Confident123 Ų12360.9 Ų60.957%0.56929%0.294SS*.SBendtrans-126.3111.5-174.4-54.5-71.3000105.4N569 T573 E576N569-H571 PolarHBondContact OD1-O 3.07Å; H571-T573 HydrophobicContact CB-CG2 3.82Å; H571-T573 WeakPolarHBondContact O-CG2 3.26Å; H571-T573 PolarHBondContact O-N 3.05Å; H571-T573 PolarHBondContact O-OG1 3.08Å; H571-T573 VanDerWaalsContact O-OG1 3.07Å; H571-E576 PolarHBondContact N-OE2 3.17Å
572M75.5Confident82.9Confident60 Ų6058.6 Ų58.630%0.29630%0.299SS..  trans-63.965.2-176.8-57.8176.39500111.3V351 C533 P537V351-M572 HydrophobicContact CB-CE 4.22Å; V351-M572 HydrophobicContact CB-SD 4.11Å; V351-M572 HydrophobicContact CG1-CE 3.71Å; V351-M572 HydrophobicContact CG1-SD 3.57Å; V351-M572 VanDerWaalsContact CG1-SD 3.57Å; V351-M572 HydrophobicContact CG2-CB 4.34Å; V351-M572 HydrophobicContact CG2-CE 3.56Å; V351-M572 HydrophobicContact CG2-CG 4.48Å; V351-M572 HydrophobicContact CG2-SD 3.36Å; V351-M572 WeakPolarHBondContact CG2-SD 3.38Å; C533-M572 HydrophobicContact CB-CE 4.44Å; C533-M572 HydrophobicContact CB-CG 4Å; C533-M572 WeakPolarHBondContact SG-CG 3.28Å; P537-M572 HydrophobicContact CB-CE 3.51Å; P537-M572 WeakPolarHBondContact O-CE 3.23Å
573T76.5Confident83.1Confident42 Ų4258.6 Ų58.626%0.25830%0.299SS..  trans-101.4149.3-17356.80000108.6H571 E575 E576 N577H571-T573 HydrophobicContact CB-CG2 3.82Å; H571-T573 WeakPolarHBondContact O-CG2 3.26Å; H571-T573 PolarHBondContact O-N 3.05Å; H571-T573 PolarHBondContact O-OG1 3.08Å; H571-T573 VanDerWaalsContact O-OG1 3.07Å; T573-E575 WeakPolarHBondContact CB-OE2 3.11Å; T573-E575 PolarHBondContact O-N 3.43Å; T573-E576 PolarHBondContact O-N 3Å; T573-E576 VanDerWaalsContact OG1-CB 3.31Å; T573-E576 WeakPolarHBondContact OG1-CB 3.33Å; T573-E576 VanDerWaalsContact OG1-CG 3.31Å; T573-E576 WeakPolarHBondContact OG1-CG 2.87Å; T573-E576 PolarHBondContact OG1-N 2.9Å; T573-N577 PolarHBondContact O-N 3.25Å
574P73.1Confident83.5Confident92 Ų9258.7 Ų58.760%0.59730%0.299SS*.SBendtrans-56.6-31.8175.5-25.835.6000113.3N577 N580P574-N577 VanDerWaalsContact O-CB 3.27Å; P574-N577 WeakPolarHBondContact O-CB 3.36Å; P574-N580 PolarHBondContact O-ND2 3.34Å
575E75Confident84Confident153 Ų15356.4 Ų56.472%0.71529%0.291SS*.THydrogen-bonded Turntrans-74.6-35.7-179-58.276-163.400112.6T573 N577T573-E575 WeakPolarHBondContact CB-OE2 3.11Å; T573-E575 PolarHBondContact O-N 3.43Å; E575-N577 PolarHBondContact O-N 2.81Å
576E77.1Confident84.2Confident66 Ų6657.4 Ų57.431%0.30830%0.297SS..THydrogen-bonded Turntrans-84.39.7176.4-65.7-178.5-176.500113N569 R570 H571 T573 P578N569-E576 WeakPolarHBondContact CA-OE2 3.24Å; N569-E576 HydrophobicContact CB-CB 4.35Å; N569-E576 PolarHBondContact ND2-O 3.03Å; R570-E576 PolarHBondContact N-OE2 2.8Å; R570-E576 VanDerWaalsContact N-OE2 3.14Å; H571-E576 PolarHBondContact N-OE2 3.17Å; T573-E576 PolarHBondContact O-N 3Å; T573-E576 VanDerWaalsContact OG1-CB 3.31Å; T573-E576 WeakPolarHBondContact OG1-CB 3.33Å; T573-E576 VanDerWaalsContact OG1-CG 3.31Å; T573-E576 WeakPolarHBondContact OG1-CG 2.87Å; T573-E576 PolarHBondContact OG1-N 2.9Å; E576-P578 WeakPolarHBondContact O-CD 3.35Å
577N84.7Confident84.5Confident17 Ų1758.9 Ų58.99%0.09130%0.304CS..  trans-68.2116-176.5-178.7-3.9000112.2W538 T573 P574 E575 F579 N580W538-N577 HydrophobicContact CH2-CB 3.73Å; W538-N577 VanDerWaalsContact CH2-OD1 3.23Å; W538-N577 WeakPolarHBondContact CH2-OD1 3.31Å; W538-N577 HydrophobicContact CZ3-CB 4.47Å; W538-N577 WeakPolarHBondContact CZ3-OD1 3.49Å; T573-N577 PolarHBondContact O-N 3.25Å; P574-N577 VanDerWaalsContact O-CB 3.27Å; P574-N577 WeakPolarHBondContact O-CB 3.36Å; E575-N577 PolarHBondContact O-N 2.81Å; N577-F579 PolarHBondContact O-N 2.9Å; N577-F579 VanDerWaalsContact O-N 3.09Å; N577-F579 VanDerWaalsContact OD1-CB 3.25Å; N577-F579 WeakPolarHBondContact OD1-CB 3.36Å; N577-F579 WeakPolarHBondContact OD1-CG 3.5Å; N577-F579 PolarHBondContact OD1-N 2.84Å; N577-N580 PolarHBondContact ND2-OD1 3.4Å; N577-N580 PolarHBondContact O-N 2.8Å
578P86Confident85.2Confident0 Ų058.5 Ų58.50%030%0.298CS..THydrogen-bonded Turntrans-67.5-9.7179.730-36.3000113.8P537 Y562 I566 E576 F581P537-P578 HydrophobicContact CG-CG 4.36Å; Y562-P578 HydrophobicContact CD2-CB 4.44Å; Y562-P578 WeakPolarHBondContact CD2-O 3.39Å; Y562-P578 HydrophobicContact CE2-CB 4.13Å; Y562-P578 WeakPolarHBondContact CE2-O 3.28Å; I566-P578 HydrophobicContact CG1-CB 3.73Å; I566-P578 HydrophobicContact CG1-CG 4.34Å; E576-P578 WeakPolarHBondContact O-CD 3.35Å; P578-F581 WeakPolarHBondContact O-CD2 3.35Å
579F89.6Confident86Confident23 Ų2352.4 Ų52.410%0.10127%0.27CS..THydrogen-bonded Turntrans-89.3-7.6178.8-54.5-26.1000113.8P535 A536 W538 V549 N577 F581 I584 V586P535-F579 WeakPolarHBondContact O-CE1 3.42Å; A536-F579 HydrophobicContact CB-CZ 4.37Å; W538-F579 AromaticContact CE3-CD2 3.92Å; W538-F579 HydrophobicContact CE3-CD2 3.92Å; W538-F579 AromaticContact CE3-CE2 3.73Å; W538-F579 HydrophobicContact CE3-CE2 3.73Å; W538-F579 AromaticContact CZ3-CD2 3.68Å; W538-F579 HydrophobicContact CZ3-CD2 3.68Å; W538-F579 AromaticContact CZ3-CE2 3.85Å; W538-F579 HydrophobicContact CZ3-CE2 3.85Å; W538-F579 HydrophobicContact CZ3-CG 4.48Å; V549-F579 HydrophobicContact CG1-CE1 4.45Å; V549-F579 HydrophobicContact CG2-CE1 3.82Å; V549-F579 HydrophobicContact CG2-CZ 4.08Å; N577-F579 PolarHBondContact O-N 2.9Å; N577-F579 VanDerWaalsContact O-N 3.09Å; N577-F579 VanDerWaalsContact OD1-CB 3.25Å; N577-F579 WeakPolarHBondContact OD1-CB 3.36Å; N577-F579 WeakPolarHBondContact OD1-CG 3.5Å; N577-F579 PolarHBondContact OD1-N 2.84Å; F579-F581 PolarHBondContact O-N 3.43Å; F579-I584 HydrophobicContact CD1-CG2 4.42Å; F579-V586 HydrophobicContact CB-CG2 3.84Å; F579-V586 HydrophobicContact CD1-CG2 3.48Å; F579-V586 VanDerWaalsContact CD1-CG2 3.48Å; F579-V586 HydrophobicContact CD2-CB 4.34Å; F579-V586 HydrophobicContact CD2-CG1 4.19Å; F579-V586 HydrophobicContact CD2-CG2 3.89Å; F579-V586 HydrophobicContact CE1-CG2 3.86Å; F579-V586 HydrophobicContact CE2-CG1 3.96Å; F579-V586 HydrophobicContact CE2-CG2 4.23Å; F579-V586 HydrophobicContact CG-CB 4.37Å; F579-V586 HydrophobicContact CG-CG2 3.48Å; F579-V586 VanDerWaalsContact CG-CG2 3.48Å; F579-V586 HydrophobicContact CZ-CG1 4.18Å; F579-V586 HydrophobicContact CZ-CG2 4.2Å
580N89.6Confident86.7Confident105 Ų10552.8 Ų52.856%0.56127%0.272SS*.  trans-76.1-4.2-177-72.3-5.6000114.2P574 N577P574-N580 PolarHBondContact O-ND2 3.34Å; N577-N580 PolarHBondContact ND2-OD1 3.4Å; N577-N580 PolarHBondContact O-N 2.8Å
581F92.6Very high87.5Confident49 Ų4946.7 Ų46.722%0.21525%0.249CC..SBendtrans-75.5137.2179.4-68.3-86.2000111.2R561 Y562 P578 F579 F583 I584R561-F581 HydrophobicContact CB-CE1 4.05Å; R561-F581 HydrophobicContact CB-CZ 4.28Å; Y562-F581 AromaticContact CD2-CD2 3.97Å; Y562-F581 HydrophobicContact CD2-CD2 3.97Å; Y562-F581 HydrophobicContact CD2-CE2 4.27Å; P578-F581 WeakPolarHBondContact O-CD2 3.35Å; F579-F581 PolarHBondContact O-N 3.43Å; F581-F583 HydrophobicContact CB-CD1 4.2Å; F581-F583 HydrophobicContact CB-CE1 3.68Å; F581-F583 HydrophobicContact CB-CE2 4.13Å; F581-F583 HydrophobicContact CB-CZ 3.63Å; F581-F583 AromaticContact CD1-CE1 3.81Å; F581-F583 HydrophobicContact CD1-CE1 3.81Å; F581-F583 AromaticContact CD1-CZ 3.75Å; F581-F583 HydrophobicContact CD1-CZ 3.75Å; F581-F583 HydrophobicContact CG-CE1 4.07Å; F581-F583 AromaticContact CG-CZ 3.8Å; F581-F583 HydrophobicContact CG-CZ 3.8Å; F581-F583 PolarHBondContact O-N 2.86Å; F581-F583 VanDerWaalsContact O-N 3.07Å; F581-I584 HydrophobicContact CB-CB 4.44Å; F581-I584 HydrophobicContact CB-CG1 3.74Å; F581-I584 WeakPolarHBondContact O-CB 3.21Å; F581-I584 PolarHBondContact O-N 3.28Å
582P94.3Very high88.5Confident104 Ų10440.9 Ų40.968%0.67522%0.222SC*.THydrogen-bonded Turntrans-67.5-15.1-17326.5-35.9000114.8
583F95.9Very high89.5Confident3 Ų340.4 Ų40.41%0.01322%0.217CC..THydrogen-bonded Turntrans-97.69.2175.955.7-91.7000112.4V551 H552 C554 Q558 F581V551-F583 HydrophobicContact CG1-CD2 4.23Å; H552-F583 HydrophobicContact CB-CB 4.45Å; H552-F583 WeakPolarHBondContact CB-O 3.5Å; H552-F583 PolarHBondContact CD2-O 3.19Å; H552-F583 PolarHBondContact N-O 3.16Å; C554-F583 HydrophobicContact CB-CB 3.81Å; C554-F583 HydrophobicContact CB-CD1 3.85Å; C554-F583 HydrophobicContact CB-CD2 3.82Å; C554-F583 HydrophobicContact CB-CE1 4.43Å; C554-F583 HydrophobicContact CB-CE2 4.39Å; C554-F583 HydrophobicContact CB-CG 3.52Å; C554-F583 WeakPolarHBondContact SG-CD2 3.28Å; Q558-F583 HydrophobicContact CB-CD1 4.26Å; Q558-F583 HydrophobicContact CB-CE1 3.56Å; Q558-F583 HydrophobicContact CB-CZ 3.82Å; Q558-F583 HydrophobicContact CG-CE1 3.95Å; Q558-F583 WeakPolarHBondContact O-CZ 3.47Å; F581-F583 HydrophobicContact CB-CD1 4.2Å; F581-F583 HydrophobicContact CB-CE1 3.68Å; F581-F583 HydrophobicContact CB-CE2 4.13Å; F581-F583 HydrophobicContact CB-CZ 3.63Å; F581-F583 AromaticContact CD1-CE1 3.81Å; F581-F583 HydrophobicContact CD1-CE1 3.81Å; F581-F583 AromaticContact CD1-CZ 3.75Å; F581-F583 HydrophobicContact CD1-CZ 3.75Å; F581-F583 HydrophobicContact CG-CE1 4.07Å; F581-F583 AromaticContact CG-CZ 3.8Å; F581-F583 HydrophobicContact CG-CZ 3.8Å; F581-F583 PolarHBondContact O-N 2.86Å; F581-F583 VanDerWaalsContact O-N 3.07Å
584I95.5Very high90.5Very high14 Ų1438.4 Ų38.47%0.07221%0.205CC..EExtended strand (participates in β ladder)trans-109.3127175.5-57.1-66.1000108.2V549 L550 V551 Y562 F579 F581 V586V549-I584 HydrophobicContact CG1-CG2 3.97Å; L550-I584 WeakPolarHBondContact O-CA 3.33Å; V551-I584 HydrophobicContact CB-CD1 4.03Å; V551-I584 HydrophobicContact CG1-CD1 3.82Å; V551-I584 HydrophobicContact CG2-CD1 3.65Å; Y562-I584 HydrophobicContact CD1-CD1 4.33Å; Y562-I584 HydrophobicContact CD2-CD1 3.84Å; Y562-I584 HydrophobicContact CD2-CG1 4.02Å; Y562-I584 HydrophobicContact CE1-CD1 4.21Å; Y562-I584 HydrophobicContact CE2-CD1 3.7Å; Y562-I584 HydrophobicContact CE2-CG1 4.07Å; Y562-I584 HydrophobicContact CG-CD1 4.13Å; F579-I584 HydrophobicContact CD1-CG2 4.42Å; F581-I584 HydrophobicContact CB-CB 4.44Å; F581-I584 HydrophobicContact CB-CG1 3.74Å; F581-I584 WeakPolarHBondContact O-CB 3.21Å; F581-I584 PolarHBondContact O-N 3.28Å; I584-V586 HydrophobicContact CG2-CG2 3.81Å
585S95Very high91.5Very high33 Ų3335.5 Ų35.523%0.23119%0.185CC..EExtended strand (participates in β ladder)trans-113.6132.6166.6-53.90000108.8V549 L550 H552V549-S585 WeakPolarHBondContact CA-O 3.39Å; L550-S585 PolarHBondContact N-O 3.45Å; L550-S585 PolarHBondContact O-N 3.02Å; H552-S585 PolarHBondContact CD2-OG 3.24Å; H552-S585 PolarHBondContact NE2-OG 2.83Å
586V93.3Very high92.4Very high42 Ų4228.4 Ų28.426%0.25515%0.153SC..EExtended strand (participates in β ladder)trans-124130.3176.9-175.10000109.3D547 L548 V549 F579 I584D547-V586 HydrophobicContact CB-CG1 4.49Å; L548-V586 WeakPolarHBondContact O-CA 3.32Å; V549-V586 HydrophobicContact CB-CG2 4.47Å; V549-V586 HydrophobicContact CG1-CG2 4.21Å; V549-V586 HydrophobicContact CG2-CG1 4.13Å; V549-V586 HydrophobicContact CG2-CG2 4Å; F579-V586 HydrophobicContact CB-CG2 3.84Å; F579-V586 HydrophobicContact CD1-CG2 3.48Å; F579-V586 VanDerWaalsContact CD1-CG2 3.48Å; F579-V586 HydrophobicContact CD2-CB 4.34Å; F579-V586 HydrophobicContact CD2-CG1 4.19Å; F579-V586 HydrophobicContact CD2-CG2 3.89Å; F579-V586 HydrophobicContact CE1-CG2 3.86Å; F579-V586 HydrophobicContact CE2-CG1 3.96Å; F579-V586 HydrophobicContact CE2-CG2 4.23Å; F579-V586 HydrophobicContact CG-CB 4.37Å; F579-V586 HydrophobicContact CG-CG2 3.48Å; F579-V586 VanDerWaalsContact CG-CG2 3.48Å; F579-V586 HydrophobicContact CZ-CG1 4.18Å; F579-V586 HydrophobicContact CZ-CG2 4.2Å; I584-V586 HydrophobicContact CG2-CG2 3.81Å
587M92.2Very high92.7Very high32 Ų3230 Ų3016%0.15816%0.161CC..EExtended strand (participates in β ladder)trans-132.2130.8179.3-62161.5-6900108.4F336 I512 L548 L550 V589F336-M587 HydrophobicContact CD1-CE 4.38Å; F336-M587 HydrophobicContact CD1-SD 4.08Å; F336-M587 HydrophobicContact CD2-SD 4.41Å; F336-M587 HydrophobicContact CE1-CE 4.08Å; F336-M587 HydrophobicContact CE1-SD 3.35Å; F336-M587 WeakPolarHBondContact CE1-SD 3.26Å; F336-M587 HydrophobicContact CE2-CB 4.46Å; F336-M587 HydrophobicContact CE2-CG 4.42Å; F336-M587 HydrophobicContact CE2-SD 3.73Å; F336-M587 HydrophobicContact CZ-CE 4.41Å; F336-M587 HydrophobicContact CZ-CG 4.32Å; F336-M587 HydrophobicContact CZ-SD 3.15Å; F336-M587 WeakPolarHBondContact CZ-SD 3.4Å; I512-M587 HydrophobicContact CD1-CE 4.05Å; I512-M587 HydrophobicContact CD1-SD 3.72Å; L548-M587 WeakPolarHBondContact CB-O 3.29Å; L548-M587 HydrophobicContact CD2-CE 4.11Å; L548-M587 HydrophobicContact CG-CE 4.35Å; L548-M587 PolarHBondContact N-O 2.82Å; L548-M587 PolarHBondContact O-N 2.77Å; L550-M587 HydrophobicContact CD1-CE 3.46Å; L550-M587 VanDerWaalsContact CD1-CE 3.46Å; L550-M587 HydrophobicContact CD2-CE 4.33Å; L550-M587 HydrophobicContact CG-CE 3.69Å; M587-V589 HydrophobicContact CB-CG1 3.92Å
588K93.1Very high91.7Very high14 Ų1432 Ų326%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-83123.3168.9-164.2175.2-69.6-81.90109.3C339 N344 S346 D543 C545 L546 D547C339-K588 HydrophobicContact CB-CB 3.95Å; C339-K588 HydrophobicContact CB-CD 4.04Å; C339-K588 HydrophobicContact CB-CG 3.82Å; C339-K588 PolarHBondContact N-O 2.96Å; N344-K588 HydrophobicContact CB-CD 4.42Å; N344-K588 WeakPolarHBondContact O-CD 3.42Å; N344-K588 VanDerWaalsContact O-CE 3.29Å; N344-K588 WeakPolarHBondContact O-CE 3.26Å; N344-K588 WeakPolarHBondContact OD1-CE 3.35Å; S346-K588 WeakPolarHBondContact OG-CB 3.17Å; D543-K588 IonicContact OD2-NZ 3.34Å; D543-K588 PolarHBondContact OD2-NZ 2.83Å; C545-K588 HydrophobicContact CB-CD 3.69Å; C545-K588 HydrophobicContact CB-CG 3.52Å; L546-K588 WeakPolarHBondContact O-CA 3.35Å; D547-K588 IonicContact OD1-NZ 3.03Å; D547-K588 PolarHBondContact OD1-NZ 3.25Å
589V94Very high89.8Confident0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-136.6148.6-170.8-54.40000111.3F336 L337 C545 L546 L548 M587 F592F336-V589 HydrophobicContact CB-CB 4.27Å; F336-V589 HydrophobicContact CB-CG1 3.78Å; F336-V589 HydrophobicContact CD2-CG1 3.5Å; F336-V589 HydrophobicContact CE2-CG1 4.39Å; F336-V589 HydrophobicContact CG-CG1 3.87Å; L337-V589 CarbonylContact O-C 3.54Å; L337-V589 WeakPolarHBondContact O-CA 3.45Å; L337-V589 VanDerWaalsContact O-CB 3.27Å; L337-V589 WeakPolarHBondContact O-CB 3.23Å; C545-V589 CarbonylContact C-O 3.47Å; C545-V589 VanDerWaalsContact CA-O 3.32Å; C545-V589 WeakPolarHBondContact CA-O 3.11Å; L546-V589 HydrophobicContact CD1-CG2 3.46Å; L546-V589 VanDerWaalsContact CD1-CG2 3.46Å; L546-V589 HydrophobicContact CG-CG2 3.86Å; L546-V589 PolarHBondContact N-O 3.1Å; L546-V589 PolarHBondContact O-N 3.28Å; L548-V589 HydrophobicContact CB-CG1 4.36Å; L548-V589 HydrophobicContact CB-CG2 3.89Å; L548-V589 HydrophobicContact CD2-CG1 4.45Å; L548-V589 HydrophobicContact CD2-CG2 4.34Å; M587-V589 HydrophobicContact CB-CG1 3.92Å; V589-F592 HydrophobicContact CG2-CB 4.48Å
590C92.6Very high87.2Confident9 Ų939 Ų396%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-97-17.417355.50000112.9L337 T367 V676L337-C590 VanDerWaalsContact CB-SG 3.53Å; L337-C590 PolarHBondContact O-N 2.85Å; L337-C590 PolarHBondContact O-SG 2.94Å; T367-C590 HydrophobicContact CG2-CB 4.24Å; T367-C590 VanDerWaalsContact CG2-SG 3.58Å; C590-V676 WeakPolarHBondContact O-CB 3.22Å; C590-V676 VanDerWaalsContact O-CG2 3.3Å; C590-V676 WeakPolarHBondContact O-CG2 3.21Å; C590-V676 PolarHBondContact O-N 3.1Å
591A95.3Very high84.5Confident0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-152.6152171.900000110.1F336 L337 W509 C674 F675F336-A591 WeakPolarHBondContact CA-O 3.41Å; L337-A591 HydrophobicContact CB-CB 4.26Å; L337-A591 HydrophobicContact CD1-CB 3.99Å; L337-A591 HydrophobicContact CG-CB 4.34Å; L337-A591 PolarHBondContact N-O 3.24Å; W509-A591 HydrophobicContact CH2-CB 3.87Å; W509-A591 HydrophobicContact CZ2-CB 4.36Å; A591-C674 VanDerWaalsContact CA-O 3.23Å; A591-C674 WeakPolarHBondContact CA-O 3.4Å; A591-C674 WeakPolarHBondContact CB-O 3.39Å; A591-F675 HydrophobicContact CB-CD1 3.83Å; A591-F675 HydrophobicContact CB-CE1 4.12Å; A591-F675 HydrophobicContact CB-CG 4.46Å
592F97.1Very high81.5Confident1 Ų148 Ų480%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-147.4155169.577-86.9000111.7S335 F336 A521 L546 L548 V589 W660 I672 C674S335-F592 CarbonylContact O-C 3.52Å; S335-F592 VanDerWaalsContact O-CA 3.26Å; S335-F592 WeakPolarHBondContact O-CA 3.32Å; F336-F592 HydrophobicContact CB-CB 3.96Å; A521-F592 HydrophobicContact CB-CD1 4.49Å; A521-F592 HydrophobicContact CB-CE1 3.58Å; A521-F592 HydrophobicContact CB-CZ 3.8Å; L546-F592 HydrophobicContact CD1-CD1 4.3Å; L546-F592 HydrophobicContact CD1-CE1 4.42Å; L546-F592 HydrophobicContact CD2-CD1 4.03Å; L546-F592 HydrophobicContact CD2-CE1 3.86Å; L548-F592 HydrophobicContact CD1-CD1 4.45Å; L548-F592 HydrophobicContact CD1-CD2 4.41Å; L548-F592 HydrophobicContact CD1-CG 4.35Å; L548-F592 HydrophobicContact CD2-CB 4.02Å; L548-F592 HydrophobicContact CD2-CG 4.28Å; V589-F592 HydrophobicContact CG2-CB 4.48Å; F592-W660 AromaticContact CE2-CH2 3.77Å; F592-W660 HydrophobicContact CE2-CH2 3.77Å; F592-W660 HydrophobicContact CE2-CZ2 4.26Å; F592-W660 HydrophobicContact CE2-CZ3 4.37Å; F592-W660 HydrophobicContact CZ-CH2 4.2Å; F592-W660 HydrophobicContact CZ-CZ3 4.36Å; F592-I672 HydrophobicContact CE2-CD1 4.34Å; F592-I672 HydrophobicContact CZ-CD1 4.44Å; F592-C674 HydrophobicContact CD1-CB 3.81Å; F592-C674 HydrophobicContact CE1-CB 3.49Å; F592-C674 VanDerWaalsContact CE1-CB 3.49Å; F592-C674 HydrophobicContact CE2-CB 4.43Å; F592-C674 HydrophobicContact CG-CB 4.4Å; F592-C674 HydrophobicContact CZ-CB 3.84Å; F592-C674 VanDerWaalsContact CZ-SG 3.55Å; F592-C674 PolarHBondContact N-O 2.84Å; F592-C674 PolarHBondContact O-N 2.73Å
593R96.9Very high78.3Confident50 Ų5051.8 Ų51.819%0.18926%0.26CS..EExtended strand (participates in β ladder)trans-128.6136177.2177.4-176.4176-103.3-4.6108D280 E333 I334 S335 W509 V595 I672 I673D280-R593 WeakPolarHBondContact OD1-CD 3.45Å; D280-R593 IonicContact OD1-CZ 2.94Å; D280-R593 IonicContact OD1-NE 3.62Å; D280-R593 PolarHBondContact OD1-NE 3.28Å; D280-R593 IonicContact OD1-NH2 2.9Å; D280-R593 PolarHBondContact OD1-NH2 3.27Å; D280-R593 IonicContact OD2-CZ 3.23Å; D280-R593 IonicContact OD2-NE 3.8Å; D280-R593 PolarHBondContact OD2-NE 2.63Å; D280-R593 IonicContact OD2-NH2 3.37Å; D280-R593 PolarHBondContact OD2-NH2 3.01Å; E333-R593 IonicContact OE1-NH1 3.34Å; I334-R593 CarbonylContact C-O 3.57Å; I334-R593 WeakPolarHBondContact CA-O 3.35Å; S335-R593 PolarHBondContact N-O 3.06Å; S335-R593 PolarHBondContact O-N 3.19Å; W509-R593 HydrophobicContact CZ3-CB 4.14Å; R593-V595 VanDerWaalsContact NH1-CG2 3.32Å; R593-I672 CarbonylContact C-O 3.48Å; R593-I672 WeakPolarHBondContact CA-O 3.26Å; R593-I673 HydrophobicContact CB-CB 4.42Å; R593-I673 HydrophobicContact CB-CD1 4.45Å; R593-I673 HydrophobicContact CB-CG1 4.11Å; R593-I673 HydrophobicContact CG-CB 4.37Å; R593-I673 HydrophobicContact CG-CG1 4.47Å
594F97Very high75.1Confident0 Ų059.9 Ų59.90%030%0.295CS..EExtended strand (participates in β ladder)trans-127132.3174.7176.5-106.3000111.3Y295 E333 I334 I519 A596 W660 S670 S671 I672Y295-F594 HydrophobicContact CD1-CE1 4.1Å; Y295-F594 HydrophobicContact CD1-CZ 4.05Å; Y295-F594 HydrophobicContact CD2-CE1 4.12Å; Y295-F594 AromaticContact CE1-CE1 3.68Å; Y295-F594 HydrophobicContact CE1-CE1 3.68Å; Y295-F594 AromaticContact CE1-CZ 3.55Å; Y295-F594 HydrophobicContact CE1-CZ 3.55Å; Y295-F594 HydrophobicContact CE2-CD1 4.5Å; Y295-F594 AromaticContact CE2-CE1 3.69Å; Y295-F594 HydrophobicContact CE2-CE1 3.69Å; Y295-F594 HydrophobicContact CE2-CZ 4.42Å; Y295-F594 HydrophobicContact CG-CE1 4.31Å; Y295-F594 AromaticContact CZ-CE1 3.46Å; Y295-F594 VanDerWaalsContact CZ-CE1 3.46Å; Y295-F594 AromaticContact CZ-CZ 3.77Å; E333-F594 CarbonylContact O-C 3.59Å; E333-F594 WeakPolarHBondContact O-CA 3.23Å; E333-F594 WeakPolarHBondContact O-CD2 3.32Å; I334-F594 HydrophobicContact CD1-CD2 4.44Å; I334-F594 HydrophobicContact CG1-CD2 3.51Å; I334-F594 HydrophobicContact CG1-CE2 4.06Å; I519-F594 HydrophobicContact CD1-CD2 3.87Å; I519-F594 HydrophobicContact CD1-CE2 3.45Å; I519-F594 VanDerWaalsContact CD1-CE2 3.45Å; I519-F594 HydrophobicContact CD1-CZ 3.9Å; F594-A596 HydrophobicContact CE1-CB 3.96Å; F594-A596 HydrophobicContact CZ-CB 4.45Å; F594-W660 HydrophobicContact CB-CZ2 3.7Å; F594-W660 AromaticContact CD1-CE2 3.87Å; F594-W660 AromaticContact CD1-CZ2 3.61Å; F594-W660 HydrophobicContact CD1-CZ2 3.61Å; F594-W660 AromaticContact CD1-NE1 3.53Å; F594-W660 HydrophobicContact CE1-CZ2 4.37Å; F594-W660 AromaticContact CG-CZ2 3.73Å; F594-W660 HydrophobicContact CG-CZ2 3.73Å; F594-S670 VanDerWaalsContact CD1-O 3.28Å; F594-S670 WeakPolarHBondContact CD1-O 3.38Å; F594-S670 WeakPolarHBondContact CE1-O 2.99Å; F594-S671 CarbonylContact O-C 3.42Å; F594-S671 WeakPolarHBondContact O-CA 3.26Å; F594-S671 WeakPolarHBondContact O-CB 3.37Å; F594-I672 PolarHBondContact N-O 3.23Å; F594-I672 PolarHBondContact O-N 3.5Å
595V95.4Very high71.9Confident30 Ų3066.7 Ų66.718%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-118.1116.5175.1-173.20000109.5G332 E333 R593G332-V595 VanDerWaalsContact CA-O 3.31Å; G332-V595 WeakPolarHBondContact CA-O 3.17Å; E333-V595 HydrophobicContact CB-CB 4.45Å; E333-V595 PolarHBondContact N-O 2.75Å; E333-V595 PolarHBondContact O-N 3.19Å; R593-V595 VanDerWaalsContact NH1-CG2 3.32Å
596A92.4Very high68.7Low4 Ų471.8 Ų71.83%0.03335%0.349CS..EExtended strand (participates in β ladder)trans-76.4129.2173.300000110.1F594 N598 Q599 S671F594-A596 HydrophobicContact CE1-CB 3.96Å; F594-A596 HydrophobicContact CZ-CB 4.45Å; A596-N598 PolarHBondContact O-N 2.91Å; A596-Q599 PolarHBondContact O-N 2.91Å; A596-S671 PolarHBondContact N-OG 2.83Å; A596-S671 VanDerWaalsContact N-OG 3.15Å
597Q83.3Confident65.6Low101 Ų10178.6 Ų78.647%0.47238%0.375SS..THydrogen-bonded Turntrans-65.8-5.1-174.7-155.7-172.124.200114.4H331H331-Q597 VanDerWaalsContact CG-OE1 3.29Å; H331-Q597 PolarHBondContact ND1-OE1 2.99Å; H331-Q597 VanDerWaalsContact ND1-OE1 3.11Å; H331-Q597 PolarHBondContact O-N 3.18Å
598N65.4Low62.5Low57 Ų5783 Ų8331%0.30540%0.399SS..THydrogen-bonded Turntrans-86.8-6.9-179.8-63.9-25.8000113.6A596 S600 K656 T657A596-N598 PolarHBondContact O-N 2.91Å; N598-S600 PolarHBondContact O-N 3.09Å; N598-K656 PolarHBondContact ND2-O 3.41Å; N598-T657 HydrophobicContact CB-CG2 3.84Å; N598-T657 WeakPolarHBondContact ND2-CG2 3.17Å
599Q44.9Very low59.3Low81 Ų8188.7 Ų88.738%0.37943%0.43SS..  trans-78.861.5168.5-75.2-177.1-21.900111A596 K601 S671A596-Q599 PolarHBondContact O-N 2.91Å; Q599-K601 VanDerWaalsContact C-N 3.25Å; Q599-K601 PolarHBondContact O-N 2.96Å; Q599-S671 VanDerWaalsContact CD-OG 3.32Å; Q599-S671 PolarHBondContact OE1-OG 3.07Å
600S36Very low56.1Low89 Ų8994.3 Ų94.362%0.62246%0.464SS*.THydrogen-bonded Turntrans-77.574.6172.262.90000111.1N598 L602N598-S600 PolarHBondContact O-N 3.09Å; S600-L602 VanDerWaalsContact C-N 3.35Å
601K31.9Very low52.9Low200 Ų200100.7 Ų100.787%0.8750%0.498SS*.THydrogen-bonded Turntrans-89.8-5.5140.3-88.4-173.6178.6177.10111.8Q599 K603Q599-K601 VanDerWaalsContact C-N 3.25Å; Q599-K601 PolarHBondContact O-N 2.96Å; K601-K603 PolarHBondContact O-N 3.49Å
602L30.2Very low49.6Very low144 Ų144104.8 Ų104.875%0.75453%0.526SS*.THydrogen-bonded Turntrans-76.621.4176.8-110.4127.2000115.7S600S600-L602 VanDerWaalsContact C-N 3.35Å
603K27.6Very low46.6Very low183 Ų183112.9 Ų112.980%0.79657%0.568SS**THydrogen-bonded Turntrans-103.818.4169.4-87.9-166.4176-172.90114.6K601K601-K603 PolarHBondContact O-N 3.49Å
604K28.4Very low43.5Very low173 Ų173115.1 Ų115.175%0.75259%0.59SS**SBendtrans-112.72.9172.7-89.7-170.4176.8-1750116.3
605F27.2Very low40.1Very low157 Ų157122.7 Ų122.769%0.68963%0.631SS**SBendtrans-110.5-20.1174.3-80.9-79.8000115.4K607 L608F605-K607 PolarHBondContact O-N 2.9Å; F605-L608 PolarHBondContact O-N 3.43Å
606D28.1Very low36.7Very low140 Ų140130.2 Ų130.275%0.74966%0.661SS**THydrogen-bonded Turntrans-75.310.2172.2-72.5-17.4000114.9
607K28Very low33.4Very low185 Ų185138.7 Ų138.780%0.80470%0.7SS**THydrogen-bonded Turntrans-109.64.1169.3-82.9-167175.6-171.60114.3F605F605-K607 PolarHBondContact O-N 2.9Å
608L28.6Very low30.6Very low126 Ų126141.3 Ų141.366%0.6671%0.712SS**THydrogen-bonded Turntrans-110.9-6.2175.9-96139.7000114.7F605F605-L608 PolarHBondContact O-N 3.43Å
609D24.3Very low28.6Very low133 Ų133146.5 Ų146.571%0.71174%0.739SS**G310 helixtrans-97.522.9172.8-76.8-20.8000114.3N611D609-N611 PolarHBondContact O-N 3.09Å
610T27.4Very low27.4Very low118 Ų118149.1 Ų149.172%0.72476%0.755SS**G310 helixtrans-82.96.9165.747.60000114.1
611N26Very low26.7Very low142 Ų142153.6 Ų153.676%0.75977%0.767SS**G310 helixtrans-97.29.6169.2-81-4.7000113.8D609 L613D609-N611 PolarHBondContact O-N 3.09Å; N611-L613 PolarHBondContact O-N 3.41Å
612C25.7Very low26.1Very low87 Ų87150.1 Ų150.159%0.58876%0.756SS**  trans-75106.8167.9-163.40000109.6C614C612-C614 PolarHBondContact O-N 3.04Å
613L34.9Very low25.7Very low171 Ų171150 Ų15090%0.89576%0.762SS**THydrogen-bonded Turntrans-60.812.3-176.4-101.795.9000116N611N611-L613 PolarHBondContact O-N 3.41Å
614C29.9Very low25.3Very low96 Ų96148.4 Ų148.465%0.64976%0.757SS**THydrogen-bonded Turntrans-95.1-7.2-176.565.80000115.6C612 K616C612-C614 PolarHBondContact O-N 3.04Å; C614-K616 PolarHBondContact O-N 3.31Å
615N25.7Very low25Very low159 Ų159146.5 Ų146.585%0.8576%0.755SS**  trans-97.171.1172.8-86.5-12.4000112.1Q617N615-Q617 PolarHBondContact O-N 3.01Å
616K24.1Very low24.9Very low188 Ų188144.8 Ų144.882%0.81776%0.757SS**  trans-73.9113.1153.9-77.8-179.1177.7177.10108C614C614-K616 PolarHBondContact O-N 3.31Å
617Q24.5Very low24.5Very low182 Ų182143.3 Ų143.385%0.8576%0.757SS**  trans-148.797.3145-109.3172.312.200109.6N615N615-Q617 PolarHBondContact O-N 3.01Å
618H24.1Very low24.3Very low156 Ų156141.5 Ų141.572%0.72276%0.755SS**  trans3199.6140-67.9-87000117.3
619N22.5Very low24.1Very low166 Ų166142 Ų14289%0.88876%0.758SS**  -150.681.1129.5-88.8-41.6000107.9Q621N619-Q621 PolarHBondContact O-N 3.02Å
620L20.4Very low24.1Very low136 Ų136142.3 Ų142.371%0.71276%0.76SS**  trans-63.9108.5163.2-96.596.2000107.5I622L620-I622 HydrophobicContact CD2-CD1 4.08Å; L620-I622 HydrophobicContact CD2-CG1 3.96Å
621Q21.4Very low23.9Very low184 Ų184143.7 Ų143.786%0.8676%0.763SS**  trans-109.7106.6150.1-81.2-175.8-16.200107N619 T623N619-Q621 PolarHBondContact O-N 3.02Å; Q621-T623 PolarHBondContact O-N 3.12Å
622I19.4Very low23.8Very low126 Ų126141.6 Ų141.665%0.64676%0.76SS**  trans-75.8107177.8-60.5168.3000106.4L620L620-I622 HydrophobicContact CD2-CD1 4.08Å; L620-I622 HydrophobicContact CD2-CG1 3.96Å
623T21.7Very low23.7Very low142 Ų142144 Ų14487%0.87177%0.772SS**  trans-109.6117.2160.727.10000109.4Q621Q621-T623 PolarHBondContact O-N 3.12Å
624H19.5Very low23.1Very low150 Ų150144.3 Ų144.369%0.69477%0.772SS**  trans-77.7140.7-176.6-99.6-87.1000112.1
625N22.2Very low22.7Very low133 Ų133148 Ų14871%0.71178%0.78SS**  trans89.6141138.2-63.2-8.7000121.7
626V23.7Very low22.4Very low121 Ų121145.6 Ų145.673%0.73378%0.776SS**  trans85.792.4156.9-156.90000114.3
627S20.1Very low22.3Very low108 Ų108143.6 Ų143.676%0.75577%0.773SS**  68133.472.1-52.60000114.7
628I25.3Very low22Very low147 Ų147140.3 Ų140.375%0.75477%0.77SS**  trans109.895.6159.4-54.3165.6000115.4
629N22.9Very low21.9Very low137 Ų137138.5 Ų138.573%0.73377%0.77SS**  56140.6125.1-61.53.4000123.9
630D25.4Very low21.8Very low139 Ų139136.6 Ų136.674%0.74377%0.765SS**  trans88.2100.1147.3-57.3-17.6000120.1
631D21.8Very low21.9Very low148 Ų148139.7 Ų139.779%0.79177%0.773SS**  50.7120.3123.4-82.6-14.4000121.4
632S25Very low22Very low98 Ų98139.1 Ų139.169%0.68578%0.775SS**  trans64.9103.9137.671.60000117.9
633T23.7Very low22.1Very low138 Ų138138.5 Ų138.585%0.84778%0.782SS**  174.9129.9103.128.60000109.5E635T633-E635 PolarHBondContact O-N 3.27Å
634I21.4Very low22.3Very low177 Ų177140.7 Ų140.791%0.90878%0.782SS**  trans-83.2101.2176.2-65.1171.4000106.4
635E21.1Very low22.8Very low172 Ų172138.5 Ų138.580%0.80478%0.781SS**  trans-129.3128.6158.6-99.1-174.4166.500110.6T633 L637T633-E635 PolarHBondContact O-N 3.27Å; E635-L637 PolarHBondContact O-N 3.12Å
636S21.3Very low22.9Very low109 Ų109140.3 Ų140.376%0.76279%0.791SS**  trans-26.1108.1172.149.50000115.7
637L20.7Very low23.1Very low147 Ų147139.3 Ų139.377%0.7779%0.789SS**  trans-97.396.7155.1-94.294.5000110.1E635 T639E635-L637 PolarHBondContact O-N 3.12Å; L637-T639 HydrophobicContact CB-CG2 4.39Å; L637-T639 HydrophobicContact CD2-CG2 4.4Å; L637-T639 PolarHBondContact O-N 3.04Å; L637-T639 VanDerWaalsContact O-N 3.13Å
638S19.6Very low23.4Very low112 Ų112139.3 Ų139.378%0.78379%0.789SS**  trans-47.4107145.147.30000109.4
639T20.8Very low23.5Very low118 Ų118139.6 Ų139.672%0.72479%0.792SS**  trans-110.198.4171.238.20000109.4L637L637-T639 HydrophobicContact CB-CG2 4.39Å; L637-T639 HydrophobicContact CD2-CG2 4.4Å; L637-T639 PolarHBondContact O-N 3.04Å; L637-T639 VanDerWaalsContact O-N 3.13Å
640T20.1Very low23.8Very low126 Ų126138 Ų13877%0.77379%0.789SS**  trans-15.7124.1156.2-37.10000114.2L642T640-L642 PolarHBondContact O-N 3.11Å; T640-L642 VanDerWaalsContact O-N 3.07Å
641F22.7Very low24Very low201 Ų201137.9 Ų137.988%0.88279%0.794SS**  trans-51.5109.2170.4-66.3-88.7000110.6S643F641-S643 PolarHBondContact O-N 3.35Å; F641-S643 VanDerWaalsContact O-N 3.11Å
642L24Very low24.7Very low173 Ų173138.1 Ų138.191%0.90679%0.794SS**  trans-70.1103.7162.6-76.2169.9000107.9T640 E644T640-L642 PolarHBondContact O-N 3.11Å; T640-L642 VanDerWaalsContact O-N 3.07Å; L642-E644 PolarHBondContact O-N 3.3Å
643S20.5Very low25.3Very low112 Ų112138.3 Ų138.378%0.78380%0.795SS**  trans-68.5112.4167.443.90000110.3F641F641-S643 PolarHBondContact O-N 3.35Å; F641-S643 VanDerWaalsContact O-N 3.11Å
644E26.6Very low26.4Very low188 Ų188142.9 Ų142.988%0.87980%0.797SS**  trans-143.7155.8162.9-97.5-163.117900110.6L642L642-E644 PolarHBondContact O-N 3.3Å
645P30.7Very low28.1Very low105 Ų105140.9 Ų140.968%0.68278%0.781SS**  -104.9149-11236.1-35.9000114.8S647P645-S647 PolarHBondContact O-N 3.03Å
646N24.2Very low30.4Very low171 Ų171139.1 Ų139.191%0.91477%0.771SS**  trans22.764.2145.4-67.1-16.8000117.3
647S27.7Very low33.3Very low99 Ų99137.9 Ų137.969%0.69276%0.759SS**  trans-92.5114.6150.2730000107P645 N649P645-S647 PolarHBondContact O-N 3.03Å; S647-N649 PolarHBondContact O-N 3Å
648S27Very low36.7Very low109 Ų109130.9 Ų130.976%0.76272%0.723SS**  trans-22.6108.2167.637.90000112.2P650S648-P650 WeakPolarHBondContact O-CD 3.24Å
649N25.9Very low40.1Very low152 Ų152126.7 Ų126.781%0.81369%0.691SS**  trans-49110.2169.4-87.6-33.8000107.1S647 T651S647-N649 PolarHBondContact O-N 3Å; N649-T651 PolarHBondContact O-N 3.18Å
650P30.1Very low43.7Very low104 Ų104121.1 Ų121.168%0.67566%0.657SS**  trans-63113.1166.226.1-27.1000103.1S648 I652S648-P650 WeakPolarHBondContact O-CD 3.24Å; P650-I652 VanDerWaalsContact C-N 3.27Å; P650-I652 PolarHBondContact O-N 3.41Å
651T29.8Very low47.2Very low137 Ų137115.1 Ų115.184%0.8462%0.62SS**  trans-47.5103.4171.3-25.40000104.7N649 S653N649-T651 PolarHBondContact O-N 3.18Å; T651-S653 PolarHBondContact O-N 3.13Å
652I35.9Very low50.7Low153 Ų153105.6 Ų105.679%0.78558%0.579SS**  trans-61.399.9179-66.1173.4000102.5P650 R654P650-I652 VanDerWaalsContact C-N 3.27Å; P650-I652 PolarHBondContact O-N 3.41Å; I652-R654 VanDerWaalsContact C-N 3.31Å; I652-R654 PolarHBondContact O-N 3.15Å
653S37.9Very low53.9Low102 Ų10297.4 Ų97.471%0.71354%0.536SS*.  trans-51.1105.2174.21710000104.1T651 K655T651-S653 PolarHBondContact O-N 3.13Å; S653-K655 VanDerWaalsContact C-N 3.29Å; S653-K655 PolarHBondContact O-N 2.98Å
654R46.9Very low56.9Low233 Ų23392.2 Ų92.288%0.87950%0.5SS*.  trans-55.6104.1177-87.5-177.1172.7172-2.1104.4I652 K656I652-R654 VanDerWaalsContact C-N 3.31Å; I652-R654 PolarHBondContact O-N 3.15Å; R654-K656 PolarHBondContact O-N 3Å
655K57.3Low59.9Low135 Ų13586 Ų8659%0.58747%0.471SS*.PPolyproline II helixtrans-51.3123.3178.2-80.1-172.3175.6-175.50106.1S653 T657S653-K655 VanDerWaalsContact C-N 3.29Å; S653-K655 PolarHBondContact O-N 2.98Å; K655-T657 PolarHBondContact O-N 2.83Å
656K69.7Low62.8Low135 Ų13583.2 Ų83.259%0.58745%0.45SS*.PPolyproline II helixtrans-57129.7-177.4-70.5-178.9179.4176.20108.3Y330 N598 R654Y330-K656 WeakPolarHBondContact CD1-O 3.38Å; Y330-K656 HydrophobicContact CE1-CB 3.95Å; N598-K656 PolarHBondContact ND2-O 3.41Å; R654-K656 PolarHBondContact O-N 3Å
657T82.3Confident66.1Low83 Ų8375.3 Ų75.351%0.50941%0.407SS..PPolyproline II helixtrans-103.3147.6172.751.60000109.2N598 K655N598-T657 HydrophobicContact CB-CG2 3.84Å; N598-T657 WeakPolarHBondContact ND2-CG2 3.17Å; K655-T657 PolarHBondContact O-N 2.83Å
658T90.9Very high69.1Low1 Ų177.7 Ų77.71%0.00641%0.408CS..  trans-134.5170.9167.1-165.90000109.4Y295 S299 D300 Y330 S670Y295-T658 HydrophobicContact CD1-CG2 3.97Å; Y295-T658 HydrophobicContact CD2-CG2 4Å; Y295-T658 HydrophobicContact CE1-CG2 3.48Å; Y295-T658 VanDerWaalsContact CE1-CG2 3.48Å; Y295-T658 HydrophobicContact CE2-CG2 3.52Å; Y295-T658 WeakPolarHBondContact CE2-O 3.27Å; Y295-T658 HydrophobicContact CG-CG2 4.2Å; S299-T658 PolarHBondContact OG-OG1 3.01Å; D300-T658 PolarHBondContact OD1-OG1 3.28Å; Y330-T658 HydrophobicContact CD1-CG2 3.74Å; Y330-T658 HydrophobicContact CD2-CG2 3.62Å; Y330-T658 HydrophobicContact CE1-CG2 3.77Å; Y330-T658 HydrophobicContact CE2-CG2 3.65Å; Y330-T658 HydrophobicContact CG-CG2 3.66Å; T658-S670 PolarHBondContact O-OG 2.91Å
659I92.1Very high72.1Confident24 Ų2475.2 Ų75.212%0.12338%0.383CS..  trans-123.9174.1-17659.2172.7000109.6Y295 S299 L666 I667Y295-I659 WeakPolarHBondContact CD2-O 3.1Å; S299-I659 WeakPolarHBondContact CB-O 3.31Å; S299-I659 PolarHBondContact OG-O 3.06Å; I659-L666 HydrophobicContact CD1-CB 3.99Å; I659-L666 HydrophobicContact CD1-CD1 4.34Å; I659-L666 HydrophobicContact CD1-CD2 4.07Å; I659-L666 HydrophobicContact CD1-CG 4.37Å; I659-L666 HydrophobicContact CG1-CD2 4.49Å; I659-I667 WeakPolarHBondContact CB-O 3.09Å
660W95.9Very high75.3Confident0 Ų069.2 Ų69.20%035%0.353CS..EExtended strand (participates in β ladder)trans-84.9158.4172.6-71.685.8000110.8L293 G294 Y295 I519 F592 F594 I667 S670 I672L293-W660 HydrophobicContact CB-CE3 3.87Å; L293-W660 HydrophobicContact CB-CZ3 3.97Å; L293-W660 HydrophobicContact CD2-CE3 4.39Å; G294-W660 CarbonylContact O-C 3.5Å; G294-W660 WeakPolarHBondContact O-CA 3.43Å; Y295-W660 AromaticContact CD2-CD1 3.55Å; Y295-W660 AromaticContact CD2-CD2 3.91Å; Y295-W660 HydrophobicContact CD2-CD2 3.91Å; Y295-W660 AromaticContact CD2-CE2 3.63Å; Y295-W660 AromaticContact CD2-CG 3.84Å; Y295-W660 HydrophobicContact CD2-CG 3.84Å; Y295-W660 HydrophobicContact CD2-CZ2 4.28Å; Y295-W660 AromaticContact CD2-NE1 3.37Å; Y295-W660 AromaticContact CE2-NE1 3.92Å; Y295-W660 HydrophobicContact CG-CD2 4.2Å; Y295-W660 AromaticContact CG-CE2 3.89Å; Y295-W660 HydrophobicContact CG-CZ2 4.13Å; I519-W660 HydrophobicContact CB-CH2 4.22Å; I519-W660 HydrophobicContact CG2-CH2 3.77Å; I519-W660 HydrophobicContact CG2-CZ3 4.44Å; F592-W660 AromaticContact CE2-CH2 3.77Å; F592-W660 HydrophobicContact CE2-CH2 3.77Å; F592-W660 HydrophobicContact CE2-CZ2 4.26Å; F592-W660 HydrophobicContact CE2-CZ3 4.37Å; F592-W660 HydrophobicContact CZ-CH2 4.2Å; F592-W660 HydrophobicContact CZ-CZ3 4.36Å; F594-W660 HydrophobicContact CB-CZ2 3.7Å; F594-W660 AromaticContact CD1-CE2 3.87Å; F594-W660 AromaticContact CD1-CZ2 3.61Å; F594-W660 HydrophobicContact CD1-CZ2 3.61Å; F594-W660 AromaticContact CD1-NE1 3.53Å; F594-W660 HydrophobicContact CE1-CZ2 4.37Å; F594-W660 AromaticContact CG-CZ2 3.73Å; F594-W660 HydrophobicContact CG-CZ2 3.73Å; W660-I667 HydrophobicContact CB-CB 3.87Å; W660-I667 HydrophobicContact CB-CD1 3.99Å; W660-I667 HydrophobicContact CB-CG1 4.46Å; W660-I667 HydrophobicContact CB-CG2 4.28Å; W660-I667 PolarHBondContact O-N 2.97Å; W660-S670 PolarHBondContact NE1-O 2.88Å; W660-I672 HydrophobicContact CD2-CD1 3.43Å; W660-I672 VanDerWaalsContact CD2-CD1 3.43Å; W660-I672 HydrophobicContact CD2-CG1 4.25Å; W660-I672 VanDerWaalsContact CE2-CD1 3.45Å; W660-I672 HydrophobicContact CE3-CD1 3.87Å; W660-I672 HydrophobicContact CG-CD1 3.77Å; W660-I672 HydrophobicContact CG-CG1 4.49Å; W660-I672 HydrophobicContact CH2-CD1 4.3Å; W660-I672 HydrophobicContact CZ2-CD1 3.92Å; W660-I672 HydrophobicContact CZ2-CG1 4.15Å; W660-I672 HydrophobicContact CZ3-CD1 4.28Å
661C94Very high78.4Confident1 Ų164.2 Ų64.21%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-129.9157160.464.50000109.2L293 G294 H298 S299 L302 E665 L666L293-C661 CarbonylContact C-O 3.55Å; L293-C661 VanDerWaalsContact CA-O 3.31Å; L293-C661 WeakPolarHBondContact CA-O 3.1Å; G294-C661 PolarHBondContact N-O 2.86Å; G294-C661 PolarHBondContact O-N 3.2Å; G294-C661 PolarHBondContact O-SG 3.01Å; H298-C661 PolarHBondContact CD2-SG 3.15Å; S299-C661 VanDerWaalsContact CA-SG 3.54Å; L302-C661 HydrophobicContact CD2-CB 3.55Å; C661-E665 CarbonylContact C-O 3.34Å; C661-E665 WeakPolarHBondContact CA-O 3.48Å; C661-E665 VanDerWaalsContact CB-O 3.31Å; C661-E665 WeakPolarHBondContact CB-O 3.28Å; C661-L666 HydrophobicContact CB-CD2 4.1Å
662S95.1Very high81.6Confident1 Ų157.7 Ų57.71%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-155.9137.1176.4178.70000110.8R287 V289 M292 G664 E665R287-S662 VanDerWaalsContact NH1-CB 3.34Å; R287-S662 PolarHBondContact NH1-O 2.78Å; R287-S662 PolarHBondContact NH1-OG 3.38Å; V289-S662 WeakPolarHBondContact CG1-OG 3.48Å; V289-S662 WeakPolarHBondContact CG2-OG 3.28Å; M292-S662 VanDerWaalsContact O-CA 3.26Å; M292-S662 WeakPolarHBondContact O-CA 3.48Å; M292-S662 WeakPolarHBondContact O-CB 3.25Å; M292-S662 PolarHBondContact O-OG 2.77Å; S662-G664 PolarHBondContact O-N 3.4Å; S662-E665 PolarHBondContact N-O 2.89Å; S662-E665 PolarHBondContact O-N 3.25Å
663D91.6Very high84.5Confident1 Ų150.4 Ų50.41%0.00524%0.243CC..THydrogen-bonded Turntrans45.732.5-178.5-52.3-42.7000114.4T201 R287 V289 L290 T291 M292T201-D663 HydrophobicContact CG2-CB 3.96Å; T201-D663 WeakPolarHBondContact CG2-OD2 3.06Å; R287-D663 IonicContact NH1-OD2 2.71Å; R287-D663 PolarHBondContact NH1-OD2 3.29Å; V289-D663 VanDerWaalsContact CA-OD2 3.31Å; V289-D663 WeakPolarHBondContact CA-OD2 3.31Å; L290-D663 PolarHBondContact N-OD2 3.43Å; T291-D663 WeakPolarHBondContact CA-OD1 3.37Å; T291-D663 WeakPolarHBondContact CB-OD1 3.45Å; T291-D663 PolarHBondContact N-OD1 2.9Å; T291-D663 PolarHBondContact OG1-OD1 3.34Å; M292-D663 PolarHBondContact N-OD1 2.78Å; M292-D663 PolarHBondContact O-N 3.39Å
664G84.1Confident87.4Confident3 Ų345.6 Ų45.63%0.03121%0.21CC..THydrogen-bonded Turntrans85.113.4-179.100000116.2I440 S442 S662I440-G664 WeakPolarHBondContact O-CA 3.26Å; S442-G664 PolarHBondContact OG-O 2.88Å; S662-G664 PolarHBondContact O-N 3.4Å
665E89Confident89.7Confident58 Ų5835 Ų3527%0.27117%0.17SC..EExtended strand (participates in β ladder)trans-119.1149.2175.2-60-168.8139.600112.5R287 C661 S662R287-E665 IonicContact CZ-OE2 2.75Å; R287-E665 IonicContact NE-OE2 3.73Å; R287-E665 IonicContact NH2-OE2 2.7Å; R287-E665 PolarHBondContact NH2-OE2 2.89Å; C661-E665 CarbonylContact C-O 3.34Å; C661-E665 WeakPolarHBondContact CA-O 3.48Å; C661-E665 VanDerWaalsContact CB-O 3.31Å; C661-E665 WeakPolarHBondContact CB-O 3.28Å; S662-E665 PolarHBondContact N-O 2.89Å; S662-E665 PolarHBondContact O-N 3.25Å
666L92.1Very high91.6Very high46 Ų4629.5 Ų29.524%0.24115%0.148CC..EExtended strand (participates in β ladder)trans-86.5130.8176.7-65.4174.4000111.4L302 R303 I659 C661L302-L666 HydrophobicContact CB-CD2 4.36Å; L302-L666 HydrophobicContact CD2-CD2 3.96Å; L302-L666 HydrophobicContact CD2-CG 4.3Å; L302-L666 HydrophobicContact CG-CD2 4.28Å; R303-L666 HydrophobicContact CB-CD1 4.09Å; R303-L666 HydrophobicContact CB-CD2 4.2Å; R303-L666 HydrophobicContact CG-CD1 4.25Å; I659-L666 HydrophobicContact CD1-CB 3.99Å; I659-L666 HydrophobicContact CD1-CD1 4.34Å; I659-L666 HydrophobicContact CD1-CD2 4.07Å; I659-L666 HydrophobicContact CD1-CG 4.37Å; I659-L666 HydrophobicContact CG1-CD2 4.49Å; C661-L666 HydrophobicContact CB-CD2 4.1Å
667I93.2Very high92.8Very high4 Ų424.5 Ų24.52%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-97.4118.3174.8-66.1165.6000108.5I286 L293 I659 W660 K669I286-I667 HydrophobicContact CD1-CG2 3.82Å; I286-I667 HydrophobicContact CG2-CG1 4.22Å; I286-I667 HydrophobicContact CG2-CG2 3.86Å; L293-I667 HydrophobicContact CD2-CD1 4.2Å; I659-I667 WeakPolarHBondContact CB-O 3.09Å; W660-I667 HydrophobicContact CB-CB 3.87Å; W660-I667 HydrophobicContact CB-CD1 3.99Å; W660-I667 HydrophobicContact CB-CG1 4.46Å; W660-I667 HydrophobicContact CB-CG2 4.28Å; W660-I667 PolarHBondContact O-N 2.97Å; I667-K669 HydrophobicContact CG2-CB 4.31Å; I667-K669 PolarHBondContact O-N 3.44Å; I667-K669 VanDerWaalsContact O-N 3.08Å
668Q89.7Confident93.3Very high149 Ų14921.8 Ų21.870%0.69611%0.107SC*.SBendtrans-74.84-173.3-59.8-59.3-3500114.9
669K91Very high93.4Very high58 Ų5823.6 Ų23.625%0.25212%0.115SC..  trans-108129.8176.6-66.3-80.8-168.3145.10109.3A279 D281 D282 I286 I667 I672A279-K669 HydrophobicContact CB-CB 4.48Å; A279-K669 HydrophobicContact CB-CD 3.88Å; A279-K669 HydrophobicContact CB-CG 3.9Å; D281-K669 IonicContact OD1-NZ 2.81Å; D281-K669 PolarHBondContact OD1-NZ 3.47Å; D281-K669 IonicContact OD2-NZ 2.93Å; D281-K669 PolarHBondContact OD2-NZ 2.94Å; D282-K669 IonicContact OD1-NZ 2.8Å; D282-K669 IonicContact OD2-NZ 2.81Å; D282-K669 PolarHBondContact OD2-NZ 3.46Å; I286-K669 HydrophobicContact CD1-CB 3.88Å; I286-K669 HydrophobicContact CD1-CG 3.93Å; I667-K669 HydrophobicContact CG2-CB 4.31Å; I667-K669 PolarHBondContact O-N 3.44Å; I667-K669 VanDerWaalsContact O-N 3.08Å; K669-I672 HydrophobicContact CB-CG2 4.4Å
670S92Very high93.6Very high25 Ų2522.8 Ų22.818%0.17511%0.111CC..SBendtrans-84.3-28.8178-61.60000113.4F594 T658 W660F594-S670 VanDerWaalsContact CD1-O 3.28Å; F594-S670 WeakPolarHBondContact CD1-O 3.38Å; F594-S670 WeakPolarHBondContact CE1-O 2.99Å; T658-S670 PolarHBondContact O-OG 2.91Å; W660-S670 PolarHBondContact NE1-O 2.88Å
671S95.9Very high93.6Very high0 Ų022.8 Ų22.80%011%0.111CC..SBendtrans-106.8126.8177-53.20000109D280 F594 A596 Q599D280-S671 PolarHBondContact N-O 2.9Å; D280-S671 VanDerWaalsContact N-O 3.16Å; F594-S671 CarbonylContact O-C 3.42Å; F594-S671 WeakPolarHBondContact O-CA 3.26Å; F594-S671 WeakPolarHBondContact O-CB 3.37Å; A596-S671 PolarHBondContact N-OG 2.83Å; A596-S671 VanDerWaalsContact N-OG 3.15Å; Q599-S671 VanDerWaalsContact CD-OG 3.32Å; Q599-S671 PolarHBondContact OE1-OG 3.07Å
672I97.2Very high93.7Very high0 Ų026.1 Ų26.10%012%0.123CC..EExtended strand (participates in β ladder)trans-140.4158.7-172.963.6173.8000111.2V277 H278 I286 L293 F592 R593 F594 W660 K669V277-I672 HydrophobicContact CG1-CB 4.09Å; V277-I672 HydrophobicContact CG1-CD1 4.11Å; V277-I672 HydrophobicContact CG1-CG2 4.13Å; H278-I672 CarbonylContact O-C 3.56Å; H278-I672 VanDerWaalsContact O-CA 3.27Å; H278-I672 WeakPolarHBondContact O-CA 3.32Å; I286-I672 HydrophobicContact CD1-CG2 4.13Å; L293-I672 HydrophobicContact CD2-CD1 3.96Å; F592-I672 HydrophobicContact CE2-CD1 4.34Å; F592-I672 HydrophobicContact CZ-CD1 4.44Å; R593-I672 CarbonylContact C-O 3.48Å; R593-I672 WeakPolarHBondContact CA-O 3.26Å; F594-I672 PolarHBondContact N-O 3.23Å; F594-I672 PolarHBondContact O-N 3.5Å; W660-I672 HydrophobicContact CD2-CD1 3.43Å; W660-I672 VanDerWaalsContact CD2-CD1 3.43Å; W660-I672 HydrophobicContact CD2-CG1 4.25Å; W660-I672 VanDerWaalsContact CE2-CD1 3.45Å; W660-I672 HydrophobicContact CE3-CD1 3.87Å; W660-I672 HydrophobicContact CG-CD1 3.77Å; W660-I672 HydrophobicContact CG-CG1 4.49Å; W660-I672 HydrophobicContact CH2-CD1 4.3Å; W660-I672 HydrophobicContact CZ2-CD1 3.92Å; W660-I672 HydrophobicContact CZ2-CG1 4.15Å; W660-I672 HydrophobicContact CZ3-CD1 4.28Å; K669-I672 HydrophobicContact CB-CG2 4.4Å
673I97.3Very high93.8Very high0 Ų026.1 Ų26.10%012%0.123CC..EExtended strand (participates in β ladder)trans-125.6137.5165.8-170.9170.1000109.5P225 H278 L371 Y375 R593 F675P225-I673 HydrophobicContact CB-CG2 4.05Å; P225-I673 HydrophobicContact CG-CG2 4.11Å; H278-I673 HydrophobicContact CB-CG2 3.81Å; H278-I673 PolarHBondContact N-O 3.42Å; H278-I673 PolarHBondContact O-N 2.79Å; L371-I673 HydrophobicContact CD2-CD1 4.29Å; Y375-I673 HydrophobicContact CE2-CD1 4.27Å; R593-I673 HydrophobicContact CB-CB 4.42Å; R593-I673 HydrophobicContact CB-CD1 4.45Å; R593-I673 HydrophobicContact CB-CG1 4.11Å; R593-I673 HydrophobicContact CG-CB 4.37Å; R593-I673 HydrophobicContact CG-CG1 4.47Å; I673-F675 HydrophobicContact CD1-CE2 3.68Å; I673-F675 HydrophobicContact CD1-CZ 3.74Å; I673-F675 HydrophobicContact CG1-CD2 4.42Å; I673-F675 HydrophobicContact CG1-CE2 3.65Å; I673-F675 HydrophobicContact CG1-CZ 4.1Å; I673-F675 HydrophobicContact CG2-CE2 4.48Å
674C97.9Very high94.1Very high1 Ų126 Ų261%0.00712%0.122CC..EExtended strand (participates in β ladder)trans-130.3136.6-171.8-66.60000111.5V275 T276 A591 F592V275-C674 HydrophobicContact CG1-CB 3.81Å; T276-C674 VanDerWaalsContact O-CA 3.22Å; T276-C674 WeakPolarHBondContact O-CA 3.25Å; A591-C674 VanDerWaalsContact CA-O 3.23Å; A591-C674 WeakPolarHBondContact CA-O 3.4Å; A591-C674 WeakPolarHBondContact CB-O 3.39Å; F592-C674 HydrophobicContact CD1-CB 3.81Å; F592-C674 HydrophobicContact CE1-CB 3.49Å; F592-C674 VanDerWaalsContact CE1-CB 3.49Å; F592-C674 HydrophobicContact CE2-CB 4.43Å; F592-C674 HydrophobicContact CG-CB 4.4Å; F592-C674 HydrophobicContact CZ-CB 3.84Å; F592-C674 VanDerWaalsContact CZ-SG 3.55Å; F592-C674 PolarHBondContact N-O 2.84Å; F592-C674 PolarHBondContact O-N 2.73Å
675F96.4Very high94.7Very high9 Ų925.9 Ų25.94%0.03912%0.121CC..EExtended strand (participates in β ladder)trans-126.9132.3175.8-66.4-91.9000110.2P225 V275 T276 L371 A591 I673P225-F675 HydrophobicContact CB-CD2 4.44Å; P225-F675 HydrophobicContact CB-CE2 3.75Å; V275-F675 CarbonylContact C-O 3.56Å; V275-F675 VanDerWaalsContact CA-O 3.24Å; V275-F675 WeakPolarHBondContact CA-O 3.23Å; T276-F675 PolarHBondContact N-O 2.84Å; T276-F675 PolarHBondContact O-N 2.86Å; L371-F675 HydrophobicContact CD2-CZ 4.11Å; A591-F675 HydrophobicContact CB-CD1 3.83Å; A591-F675 HydrophobicContact CB-CE1 4.12Å; A591-F675 HydrophobicContact CB-CG 4.46Å; I673-F675 HydrophobicContact CD1-CE2 3.68Å; I673-F675 HydrophobicContact CD1-CZ 3.74Å; I673-F675 HydrophobicContact CG1-CD2 4.42Å; I673-F675 HydrophobicContact CG1-CE2 3.65Å; I673-F675 HydrophobicContact CG1-CZ 4.1Å; I673-F675 HydrophobicContact CG2-CE2 4.48Å
676V95.8Very high94.9Very high20 Ų2026 Ų2612%0.12112%0.119CC..EExtended strand (participates in β ladder)trans-86.9123.8175.7-174.50000109.5D273 V275 G544 L546 C590D273-V676 HydrophobicContact CB-CG1 4.06Å; V275-V676 HydrophobicContact CG2-CB 4.3Å; V275-V676 HydrophobicContact CG2-CG1 4.44Å; V275-V676 HydrophobicContact CG2-CG2 3.77Å; G544-V676 VanDerWaalsContact C-CG1 3.45Å; L546-V676 HydrophobicContact CB-CG2 4.15Å; L546-V676 HydrophobicContact CD2-CG2 3.66Å; L546-V676 HydrophobicContact CG-CG2 3.9Å; C590-V676 WeakPolarHBondContact O-CB 3.22Å; C590-V676 VanDerWaalsContact O-CG2 3.3Å; C590-V676 WeakPolarHBondContact O-CG2 3.21Å; C590-V676 PolarHBondContact O-N 3.1Å
677H94.5Very high94.9Very high30 Ų3023.9 Ų23.914%0.13911%0.108CC..EExtended strand (participates in β ladder)trans-100.8114174.1-62.3-82.6000109.7E229 D273 V274 T276 L680E229-H677 WeakPolarHBondContact CG-CE1 3.48Å; D273-H677 VanDerWaalsContact CA-O 3.32Å; D273-H677 WeakPolarHBondContact CA-O 3.47Å; V274-H677 PolarHBondContact N-O 3.15Å; V274-H677 WeakPolarHBondContact O-CA 3.47Å; V274-H677 WeakPolarHBondContact O-CB 3.25Å; V274-H677 PolarHBondContact O-N 2.99Å; T276-H677 WeakPolarHBondContact CG2-NE2 3.23Å; T276-H677 PolarHBondContact OG1-NE2 2.96Å; T276-H677 VanDerWaalsContact OG1-NE2 3.11Å; H677-L680 HydrophobicContact CB-CB 3.91Å; H677-L680 HydrophobicContact CB-CD2 3.74Å; H677-L680 HydrophobicContact CB-CG 4.26Å
678R92.8Very high94.6Very high26 Ų2623.8 Ų23.810%0.09811%0.108CC..EExtended strand (participates in β ladder)trans-71.4130-173.2-174.4173.2-172.8-169.312.9112.2D273 S361 I363 G542 L680D273-R678 WeakPolarHBondContact OD1-CA 3.46Å; S361-R678 PolarHBondContact O-NH1 2.84Å; S361-R678 PolarHBondContact O-NH2 3.11Å; S361-R678 PolarHBondContact OG-NH2 3.07Å; S361-R678 VanDerWaalsContact OG-NH2 3.12Å; I363-R678 VanDerWaalsContact C-NH1 3.26Å; I363-R678 PolarHBondContact O-NH1 3.03Å; G542-R678 PolarHBondContact O-NE 3.08Å; G542-R678 PolarHBondContact O-NH2 2.87Å; R678-L680 PolarHBondContact O-N 2.96Å
679K93.8Very high94.3Very high40 Ų4018 Ų1817%0.1748%0.08CC..EExtended strand (participates in β ladder)trans50.832.6173.3-67.2176.4-178.2175.60112.4K231 L272 D273 C359 S361 G542 I681K231-K679 WeakPolarHBondContact CE-O 3.44Å; K231-K679 PolarHBondContact NZ-O 3.23Å; L272-K679 CarbonylContact O-C 3.5Å; L272-K679 VanDerWaalsContact O-C 3.3Å; L272-K679 WeakPolarHBondContact O-CA 3.5Å; D273-K679 PolarHBondContact OD1-N 2.56Å; C359-K679 WeakPolarHBondContact O-CE 3.28Å; C359-K679 PolarHBondContact O-NZ 2.72Å; S361-K679 PolarHBondContact O-NZ 2.99Å; G542-K679 VanDerWaalsContact O-CE 3.27Å; G542-K679 WeakPolarHBondContact O-CE 3.33Å; K679-I681 VanDerWaalsContact C-N 3.28Å; K679-I681 PolarHBondContact O-N 3.02Å
680L95.7Very high93.3Very high7 Ų721.7 Ų21.74%0.03710%0.098CC..EExtended strand (participates in β ladder)trans-65.5-32.2-171-176.960.1000112L208 E229 K231 P232 L272 V274 H677 R678L208-L680 HydrophobicContact CD1-CD2 3.91Å; L208-L680 HydrophobicContact CD2-CD1 4.43Å; L208-L680 HydrophobicContact CD2-CD2 3.77Å; L208-L680 HydrophobicContact CD2-CG 3.84Å; E229-L680 HydrophobicContact CB-CD1 3.6Å; E229-L680 HydrophobicContact CB-CD2 3.71Å; E229-L680 HydrophobicContact CB-CG 4.34Å; E229-L680 HydrophobicContact CG-CD2 4.1Å; K231-L680 WeakPolarHBondContact CG-O 3.41Å; P232-L680 VanDerWaalsContact CD-O 3.31Å; P232-L680 WeakPolarHBondContact CD-O 3.05Å; L272-L680 PolarHBondContact O-N 2.95Å; V274-L680 HydrophobicContact CB-CB 4.22Å; V274-L680 HydrophobicContact CB-CD2 3.99Å; V274-L680 HydrophobicContact CG1-CD2 4.32Å; V274-L680 HydrophobicContact CG2-CB 4.25Å; H677-L680 HydrophobicContact CB-CB 3.91Å; H677-L680 HydrophobicContact CB-CD2 3.74Å; H677-L680 HydrophobicContact CB-CG 4.26Å; R678-L680 PolarHBondContact O-N 2.96Å
681I96.5Very high91.5Very high0 Ų025 Ų250%011%0.111CC..EExtended strand (participates in β ladder)trans-123.5149-177.5-156.8155.4000111.6V204 L207 L236 S271 L272 V274 L290 K679 F683V204-I681 HydrophobicContact CB-CD1 4.31Å; V204-I681 HydrophobicContact CG1-CD1 3.89Å; V204-I681 HydrophobicContact CG2-CD1 3.96Å; L207-I681 HydrophobicContact CD2-CD1 4.17Å; L207-I681 HydrophobicContact CD2-CG1 4.5Å; L236-I681 HydrophobicContact CD1-CD1 3.36Å; L236-I681 HydrophobicContact CD1-CG1 4.06Å; L236-I681 HydrophobicContact CG-CD1 4.01Å; L236-I681 HydrophobicContact CG-CG1 4.27Å; S271-I681 CarbonylContact C-O 3.55Å; S271-I681 VanDerWaalsContact CA-O 3.26Å; S271-I681 WeakPolarHBondContact CA-O 3.44Å; L272-I681 HydrophobicContact CB-CG2 3.79Å; L272-I681 HydrophobicContact CG-CG2 4.47Å; L272-I681 PolarHBondContact N-O 3.14Å; L272-I681 PolarHBondContact O-N 3.38Å; V274-I681 HydrophobicContact CG2-CB 4.27Å; V274-I681 HydrophobicContact CG2-CG2 3.82Å; L290-I681 HydrophobicContact CD1-CG2 4.5Å; K679-I681 VanDerWaalsContact C-N 3.28Å; K679-I681 PolarHBondContact O-N 3.02Å; I681-F683 HydrophobicContact CD1-CE2 4.46Å; I681-F683 HydrophobicContact CG1-CE2 4.26Å; I681-F683 HydrophobicContact CG2-CD2 3.91Å; I681-F683 HydrophobicContact CG2-CE2 3.65Å
682R96.7Very high89.4Confident71 Ų7128.2 Ų28.227%0.26813%0.133SC..EExtended strand (participates in β ladder)trans-107.6139.1178.4-60.9177.367.1-167.99.5110.2R235 L236 D269 I270R235-R682 HydrophobicContact CG-CB 3.84Å; L236-R682 PolarHBondContact N-O 2.71Å; D269-R682 IonicContact OD1-CZ 2.7Å; D269-R682 IonicContact OD1-NE 3.39Å; D269-R682 PolarHBondContact OD1-NE 3.41Å; D269-R682 IonicContact OD1-NH2 3.58Å; D269-R682 PolarHBondContact OD1-NH2 3.39Å; D269-R682 IonicContact OD2-CZ 3.85Å; D269-R682 IonicContact OD2-NE 3.47Å; D269-R682 PolarHBondContact OD2-NE 3.43Å; D269-R682 IonicContact OD2-NH2 3.44Å; D269-R682 PolarHBondContact OD2-NH2 3.22Å; I270-R682 CarbonylContact O-C 3.53Å; I270-R682 WeakPolarHBondContact O-CA 3.34Å
683F97.3Very high86.5Confident0 Ų034.7 Ų34.70%017%0.168CC..EExtended strand (participates in β ladder)trans-124.8144.6-179.5-91.9-102.9000111.8L200 L236 V247 V251 D269 I270 L272 L290 I681 G685L200-F683 HydrophobicContact CD1-CE1 3.81Å; L200-F683 HydrophobicContact CD1-CZ 3.86Å; L200-F683 HydrophobicContact CD2-CE1 3.8Å; L200-F683 HydrophobicContact CD2-CZ 3.95Å; L200-F683 HydrophobicContact CG-CE1 4.3Å; L200-F683 HydrophobicContact CG-CZ 4.18Å; L236-F683 HydrophobicContact CB-CD1 4.06Å; L236-F683 HydrophobicContact CB-CD2 4.08Å; L236-F683 HydrophobicContact CB-CE1 3.79Å; L236-F683 HydrophobicContact CB-CE2 3.81Å; L236-F683 HydrophobicContact CB-CG 4.21Å; L236-F683 HydrophobicContact CB-CZ 3.67Å; L236-F683 HydrophobicContact CD1-CE2 3.83Å; L236-F683 HydrophobicContact CD1-CZ 3.69Å; L236-F683 HydrophobicContact CG-CE2 4.35Å; L236-F683 HydrophobicContact CG-CZ 4.34Å; L236-F683 CarbonylContact O-C 3.51Å; L236-F683 WeakPolarHBondContact O-CA 3.4Å; V247-F683 HydrophobicContact CG1-CE1 4.27Å; V251-F683 HydrophobicContact CG1-CB 4.34Å; V251-F683 HydrophobicContact CG1-CD1 4.41Å; V251-F683 HydrophobicContact CG1-CG 4.44Å; D269-F683 WeakPolarHBondContact CA-O 3.4Å; I270-F683 HydrophobicContact CG2-CB 3.78Å; I270-F683 PolarHBondContact N-O 2.69Å; I270-F683 PolarHBondContact O-N 2.9Å; L272-F683 HydrophobicContact CD1-CB 4.43Å; L272-F683 HydrophobicContact CD1-CD1 4.41Å; L272-F683 HydrophobicContact CD1-CD2 3.31Å; L272-F683 HydrophobicContact CD1-CE2 3.51Å; L272-F683 HydrophobicContact CD1-CG 3.8Å; L272-F683 HydrophobicContact CD1-CZ 4.14Å; L272-F683 HydrophobicContact CG-CD2 3.81Å; L272-F683 HydrophobicContact CG-CE2 4.36Å; L272-F683 HydrophobicContact CG-CG 4.35Å; L290-F683 HydrophobicContact CD2-CZ 4.28Å; I681-F683 HydrophobicContact CD1-CE2 4.46Å; I681-F683 HydrophobicContact CG1-CE2 4.26Å; I681-F683 HydrophobicContact CG2-CD2 3.91Å; I681-F683 HydrophobicContact CG2-CE2 3.65Å; F683-G685 PolarHBondContact O-N 2.73Å
684F98.1Very high83.7Confident0 Ų038.6 Ų38.60%020%0.195CC..SBendtrans-7193.5165.9-68.2-73.6000110.4P130 L133 I192 R235 L236 H252 I264 D268P130-F684 HydrophobicContact CB-CE1 4.25Å; P130-F684 HydrophobicContact CB-CZ 4.11Å; P130-F684 HydrophobicContact CG-CE1 3.9Å; P130-F684 HydrophobicContact CG-CZ 4.12Å; L133-F684 HydrophobicContact CD2-CE2 4.26Å; L133-F684 HydrophobicContact CD2-CZ 4.19Å; I192-F684 HydrophobicContact CD1-CD2 3.74Å; I192-F684 HydrophobicContact CD1-CE2 3.77Å; R235-F684 HydrophobicContact CB-CD1 4.47Å; R235-F684 HydrophobicContact CB-CD2 3.94Å; R235-F684 HydrophobicContact CB-CE1 4.11Å; R235-F684 HydrophobicContact CB-CE2 3.5Å; R235-F684 HydrophobicContact CB-CG 4.39Å; R235-F684 HydrophobicContact CB-CZ 3.6Å; R235-F684 HydrophobicContact CG-CZ 4.47Å; L236-F684 WeakPolarHBondContact O-CD2 3.47Å; L236-F684 PolarHBondContact O-N 2.68Å; H252-F684 PolarHBondContact NE2-O 3.42Å; H252-F684 VanDerWaalsContact NE2-O 3.14Å; I264-F684 HydrophobicContact CB-CB 4.2Å; I264-F684 HydrophobicContact CB-CG 4.32Å; I264-F684 HydrophobicContact CG1-CB 3.57Å; I264-F684 HydrophobicContact CG1-CD2 4.23Å; I264-F684 HydrophobicContact CG1-CG 4.02Å; I264-F684 HydrophobicContact CG2-CD2 4.31Å; I264-F684 HydrophobicContact CG2-CG 4.29Å; D268-F684 VanDerWaalsContact O-CA 3.31Å; D268-F684 WeakPolarHBondContact O-CA 3.26Å
685G96Very high80.5Confident0 Ų046.1 Ų46.10%024%0.236CC..  trans-178.1166.8-179.500000112V251 D269 I270 F683V251-G685 WeakPolarHBondContact O-CA 3.32Å; D269-G685 CarbonylContact C-O 3.51Å; D269-G685 PolarHBondContact N-O 2.99Å; I270-G685 WeakPolarHBondContact CB-O 3.45Å; I270-G685 PolarHBondContact N-O 3.11Å; F683-G685 PolarHBondContact O-N 2.73Å
686R92.1Very high77.4Confident61 Ų6149 Ų4923%0.2327%0.268CS..  trans-117.2-7.9175.7-72-172.9-110.3152.5-3.8113.3V251 D268 S354 E689V251-R686 PolarHBondContact O-N 2.95Å; D268-R686 HydrophobicContact CB-CG 3.79Å; D268-R686 IonicContact OD1-CZ 2.78Å; D268-R686 IonicContact OD1-NE 3.58Å; D268-R686 PolarHBondContact OD1-NE 2.7Å; D268-R686 IonicContact OD1-NH2 3.43Å; D268-R686 IonicContact OD2-CZ 3.02Å; D268-R686 IonicContact OD2-NE 3.83Å; D268-R686 PolarHBondContact OD2-NE 3.21Å; D268-R686 IonicContact OD2-NH2 3.61Å; D268-R686 PolarHBondContact OD2-NH2 2.71Å; S354-R686 WeakPolarHBondContact CA-O 3.4Å; S354-R686 VanDerWaalsContact CB-O 3.22Å; S354-R686 WeakPolarHBondContact CB-O 3.37Å; S354-R686 PolarHBondContact OG-O 2.85Å; R686-E689 WeakPolarHBondContact CD-OE1 3.44Å; R686-E689 IonicContact CZ-OE1 3.79Å; R686-E689 IonicContact NE-OE1 3.27Å; R686-E689 IonicContact NH1-OE1 2.84Å; R686-E689 PolarHBondContact NH1-OE1 2.67Å; R686-E689 IonicContact NH1-OE2 3.54Å
687G92.2Very high74.3Confident1 Ų152.9 Ų52.91%0.0130%0.296CS..  trans78.4178.4-165.500000112.6V251 E689V251-G687 WeakPolarHBondContact O-CA 3.05Å; V251-G687 PolarHBondContact O-N 3.43Å; G687-E689 PolarHBondContact O-N 3.46Å
688P88.7Confident71.6Confident2 Ų258.9 Ų58.91%0.01333%0.328CS..  trans-65.2121.1-177.9-15.225.9000112.1Y94 S250 N353 S354Y94-P688 HydrophobicContact CD1-CB 3.78Å; Y94-P688 HydrophobicContact CE1-CB 3.53Å; S250-P688 WeakPolarHBondContact O-CD 3.29Å; N353-P688 WeakPolarHBondContact CA-O 3.32Å; N353-P688 WeakPolarHBondContact CB-O 3.3Å; S354-P688 PolarHBondContact N-O 2.95Å
689E83.1Confident69.1Low27 Ų2762.2 Ų62.213%0.12635%0.348CS..  trans-96.7112.7174.2-65.8176.4168.200111.8Y94 W96 R686 G687 H691Y94-E689 VanDerWaalsContact CD1-C 3.48Å; Y94-E689 VanDerWaalsContact CD1-N 3.33Å; Y94-E689 WeakPolarHBondContact CD1-O 3.39Å; Y94-E689 VanDerWaalsContact CE1-O 3.27Å; Y94-E689 WeakPolarHBondContact CE1-O 3.21Å; W96-E689 WeakPolarHBondContact CZ2-OE2 3.35Å; W96-E689 PolarHBondContact NE1-OE2 2.83Å; W96-E689 VanDerWaalsContact NE1-OE2 3.1Å; R686-E689 WeakPolarHBondContact CD-OE1 3.44Å; R686-E689 IonicContact CZ-OE1 3.79Å; R686-E689 IonicContact NE-OE1 3.27Å; R686-E689 IonicContact NH1-OE1 2.84Å; R686-E689 PolarHBondContact NH1-OE1 2.67Å; R686-E689 IonicContact NH1-OE2 3.54Å; G687-E689 PolarHBondContact O-N 3.46Å; E689-H691 PolarHBondContact O-N 2.88Å
690Q70Confident66.6Low135 Ų13565 Ų6563%0.63137%0.369SS*.  trans-62.1135.8170.6-65.9-168.3-7.400109.3S692Q690-S692 PolarHBondContact O-N 2.94Å
691H53.8Low64.5Low95 Ų9567 Ų6744%0.4438%0.383SS..  trans-61.9110174.9-171.1-82.7000107.3E689 D693E689-H691 PolarHBondContact O-N 2.88Å; H691-D693 IonicContact CE1-OD1 3.61Å; H691-D693 IonicContact ND1-OD1 3.02Å; H691-D693 PolarHBondContact ND1-OD1 3.31Å; H691-D693 PolarHBondContact O-N 3.43Å; H691-D693 VanDerWaalsContact O-N 3.11Å
692S51.7Low62.6Low67 Ų6771.9 Ų71.947%0.46941%0.413SS..  trans-70.4108172.158.20000106.9Q690 S694Q690-S692 PolarHBondContact O-N 2.94Å; S692-S694 VanDerWaalsContact CB-OG 3.28Å; S692-S694 WeakPolarHBondContact CB-OG 3.37Å; S692-S694 PolarHBondContact O-N 2.73Å; S692-S694 PolarHBondContact OG-OG 3.16Å
693D37.1Very low60.4Low136 Ų13673.5 Ų73.573%0.72742%0.423SS*.  trans-67.215.1166.1-75.7-13000112.4H691 N695H691-D693 IonicContact CE1-OD1 3.61Å; H691-D693 IonicContact ND1-OD1 3.02Å; H691-D693 PolarHBondContact ND1-OD1 3.31Å; H691-D693 PolarHBondContact O-N 3.43Å; H691-D693 VanDerWaalsContact O-N 3.11Å; D693-N695 PolarHBondContact O-N 3.39Å
694S38.1Very low58.3Low82 Ų8276.1 Ų76.157%0.57343%0.434SS*.  trans-67.978.9168.660.70000109.8S692 G696S692-S694 VanDerWaalsContact CB-OG 3.28Å; S692-S694 WeakPolarHBondContact CB-OG 3.37Å; S692-S694 PolarHBondContact O-N 2.73Å; S692-S694 PolarHBondContact OG-OG 3.16Å; S694-G696 PolarHBondContact O-N 3.26Å
695N30.7Very low56.4Low159 Ų15981.6 Ų81.685%0.8546%0.46SS*.  trans-39.4118.8147-81.1-39.4000108.6D693 S697D693-N695 PolarHBondContact O-N 3.39Å; N695-S697 PolarHBondContact O-N 2.91Å
696G30.4Very low54.9Low69 Ų6985.2 Ų85.271%0.71148%0.477SS*.  trans6.594.3174.300000116.9S694 L698S694-G696 PolarHBondContact O-N 3.26Å; G696-L698 PolarHBondContact O-N 3.15Å; G696-L698 VanDerWaalsContact O-N 3.13Å
697S31.9Very low53.2Low102 Ų10282.4 Ų82.471%0.71347%0.467SS*.  trans-58.9119.1144.465.20000105.9N695 D699N695-S697 PolarHBondContact O-N 2.91Å; S697-D699 PolarHBondContact O-N 3.32Å
698L36.4Very low51.6Low156 Ų15683.6 Ų83.682%0.81748%0.475SS*.  trans-57.396.7161.9-113.585.9000105.9G696 T700G696-L698 PolarHBondContact O-N 3.15Å; G696-L698 VanDerWaalsContact O-N 3.13Å; L698-T700 PolarHBondContact O-N 2.91Å
699D41.2Very low50.5Low97 Ų9789.2 Ų89.252%0.51950%0.495SS..  trans-63.1111.7172.3-165.3-4.3000106.8S697 S701 K704S697-D699 PolarHBondContact O-N 3.32Å; D699-S701 VanDerWaalsContact C-N 3.33Å; D699-K704 WeakPolarHBondContact O-CD 3.28Å
700T41.4Very low49.7Very low99 Ų9990.3 Ų90.361%0.60750%0.502SS*.  trans-95.721.8-168.7410000112.2L698 V702L698-T700 PolarHBondContact O-N 2.91Å; T700-V702 PolarHBondContact O-N 3.26Å
701S51.4Low49.2Very low48 Ų4884 Ų8434%0.33647%0.473SS..  trans-57.2131.6179.573.20000110.9D699 E703 K704 Q705D699-S701 VanDerWaalsContact C-N 3.33Å; S701-E703 PolarHBondContact O-N 2.78Å; S701-K704 WeakPolarHBondContact O-CA 3.39Å; S701-K704 WeakPolarHBondContact O-CB 3.44Å; S701-K704 PolarHBondContact O-N 3.09Å; S701-K704 VanDerWaalsContact OG-CB 3.26Å; S701-K704 WeakPolarHBondContact OG-CB 3.27Å; S701-K704 PolarHBondContact OG-N 3.07Å; S701-Q705 PolarHBondContact O-N 3.09Å
702V55.9Low49.6Very low103 Ų10383.4 Ų83.462%0.62447%0.472SS*.Hα-helixtrans-54-37.5178175.20000110.4T700 K704 Q705 E706T700-V702 PolarHBondContact O-N 3.26Å; V702-K704 VanDerWaalsContact C-N 3.31Å; V702-K704 PolarHBondContact O-N 3.39Å; V702-Q705 PolarHBondContact O-N 2.83Å; V702-E706 WeakPolarHBondContact O-CB 3.4Å; V702-E706 PolarHBondContact O-N 2.96Å
703E52Low50.3Low104 Ų10484.3 Ų84.349%0.48647%0.469SS..Hα-helixtrans-56.9-40.4174.1-67.1-163.3156.500113.4M1 S701 S707M1-E703 HydrophobicContact CE-CB 3.54Å; M1-E703 HydrophobicContact CE-CG 3.31Å; M1-E703 VanDerWaalsContact CE-OE1 3.26Å; M1-E703 WeakPolarHBondContact CE-OE1 3.43Å; M1-E703 WeakPolarHBondContact CE-OE2 3.1Å; M1-E703 HydrophobicContact SD-CB 4.26Å; M1-E703 HydrophobicContact SD-CG 4.42Å; S701-E703 PolarHBondContact O-N 2.78Å; E703-S707 WeakPolarHBondContact O-CB 3.25Å; E703-S707 PolarHBondContact O-N 2.95Å; E703-S707 PolarHBondContact O-OG 2.9Å
704K53.3Low51.3Low55 Ų5579.6 Ų79.624%0.23945%0.447CS..Hα-helixtrans-73.6-41.1177.8-175.7176.5-179.81750111.5D699 S701 V702 E706 S707 C708D699-K704 WeakPolarHBondContact O-CD 3.28Å; S701-K704 WeakPolarHBondContact O-CA 3.39Å; S701-K704 WeakPolarHBondContact O-CB 3.44Å; S701-K704 PolarHBondContact O-N 3.09Å; S701-K704 VanDerWaalsContact OG-CB 3.26Å; S701-K704 WeakPolarHBondContact OG-CB 3.27Å; S701-K704 PolarHBondContact OG-N 3.07Å; V702-K704 VanDerWaalsContact C-N 3.31Å; V702-K704 PolarHBondContact O-N 3.39Å; K704-E706 VanDerWaalsContact C-N 3.31Å; K704-E706 PolarHBondContact O-N 2.98Å; K704-S707 PolarHBondContact O-N 2.78Å; K704-C708 WeakPolarHBondContact O-CB 3.35Å; K704-C708 PolarHBondContact O-N 2.99Å; K704-C708 PolarHBondContact O-SG 2.63Å
705Q58.1Low51.8Low116 Ų11676.2 Ų76.254%0.54242%0.422SS..Hα-helixtrans-60.1-44173.2-69-177.8-13.100110.9S701 V702 C708 R709S701-Q705 PolarHBondContact O-N 3.09Å; V702-Q705 PolarHBondContact O-N 2.83Å; Q705-C708 PolarHBondContact O-N 2.81Å; Q705-R709 WeakPolarHBondContact O-CB 3.28Å; Q705-R709 PolarHBondContact O-N 2.8Å
706E62.7Low53.2Low76 Ų7673.6 Ų73.636%0.35541%0.406SS..Hα-helixtrans-63.7-44.2176.4-163.990.1-128.800111.5V702 K704 R709 L710V702-E706 WeakPolarHBondContact O-CB 3.4Å; V702-E706 PolarHBondContact O-N 2.96Å; K704-E706 VanDerWaalsContact C-N 3.31Å; K704-E706 PolarHBondContact O-N 2.98Å; E706-R709 CarbonylContact O-C 3.44Å; E706-R709 WeakPolarHBondContact O-CB 3.37Å; E706-R709 PolarHBondContact O-N 2.78Å; E706-R709 IonicContact OE1-CZ 3.59Å; E706-R709 IonicContact OE1-NE 3.3Å; E706-R709 PolarHBondContact OE1-NE 3.42Å; E706-R709 IonicContact OE1-NH2 2.97Å; E706-R709 PolarHBondContact OE1-NH2 2.9Å; E706-L710 HydrophobicContact CG-CD1 4.23Å; E706-L710 WeakPolarHBondContact O-CB 3.33Å; E706-L710 VanDerWaalsContact O-CG 3.29Å; E706-L710 WeakPolarHBondContact O-CG 3.4Å; E706-L710 PolarHBondContact O-N 3.02Å
707S56.8Low55Low2 Ų274.9 Ų74.91%0.01440%0.397CS..Hα-helixtrans-64.7-42.3177.3-59.30000111.7T24 E703 K704 R709 I711T24-S707 WeakPolarHBondContact CG2-OG 3.49Å; E703-S707 WeakPolarHBondContact O-CB 3.25Å; E703-S707 PolarHBondContact O-N 2.95Å; E703-S707 PolarHBondContact O-OG 2.9Å; K704-S707 PolarHBondContact O-N 2.78Å; S707-R709 VanDerWaalsContact C-N 3.34Å; S707-I711 WeakPolarHBondContact O-CB 3.34Å; S707-I711 VanDerWaalsContact O-CD1 3.31Å; S707-I711 WeakPolarHBondContact O-CD1 3.14Å; S707-I711 WeakPolarHBondContact O-CG1 3.4Å; S707-I711 PolarHBondContact O-N 2.92Å
708C58.4Low55.9Low26 Ų2673 Ų7318%0.17638%0.376CS..Hα-helixtrans-62.9-41.9172.6-66.80000111.2I42 K704 Q705 I711 L712I42-C708 HydrophobicContact CD1-CB 4.11Å; I42-C708 VanDerWaalsContact CD1-SG 3.52Å; K704-C708 WeakPolarHBondContact O-CB 3.35Å; K704-C708 PolarHBondContact O-N 2.99Å; K704-C708 PolarHBondContact O-SG 2.63Å; Q705-C708 PolarHBondContact O-N 2.81Å; C708-I711 PolarHBondContact O-N 2.76Å; C708-L712 VanDerWaalsContact O-CB 3.27Å; C708-L712 WeakPolarHBondContact O-CB 3.49Å; C708-L712 WeakPolarHBondContact O-CG 3.31Å; C708-L712 PolarHBondContact O-N 3.33Å
709R67.2Low56.4Low119 Ų11969.5 Ų69.545%0.44936%0.358SS..Hα-helixtrans-63.7-46.5178-170.5-173.578.377.31.3111.4Q705 E706 S707 I711 L712 Q713Q705-R709 WeakPolarHBondContact O-CB 3.28Å; Q705-R709 PolarHBondContact O-N 2.8Å; E706-R709 CarbonylContact O-C 3.44Å; E706-R709 WeakPolarHBondContact O-CB 3.37Å; E706-R709 PolarHBondContact O-N 2.78Å; E706-R709 IonicContact OE1-CZ 3.59Å; E706-R709 IonicContact OE1-NE 3.3Å; E706-R709 PolarHBondContact OE1-NE 3.42Å; E706-R709 IonicContact OE1-NH2 2.97Å; E706-R709 PolarHBondContact OE1-NH2 2.9Å; S707-R709 VanDerWaalsContact C-N 3.34Å; R709-I711 VanDerWaalsContact C-N 3.32Å; R709-I711 PolarHBondContact O-N 2.67Å; R709-L712 PolarHBondContact O-N 3.24Å; R709-Q713 WeakPolarHBondContact O-CB 3.41Å; R709-Q713 PolarHBondContact O-N 2.91Å
710L65.6Low57.3Low51 Ų5172.6 Ų72.627%0.26736%0.363SS..Hα-helixtrans-64.7-38.5178-74.1171.4000111.5V3 E706 Q713 S714V3-L710 HydrophobicContact CB-CD1 4.15Å; V3-L710 HydrophobicContact CG2-CB 4.4Å; V3-L710 HydrophobicContact CG2-CD1 3.55Å; E706-L710 HydrophobicContact CG-CD1 4.23Å; E706-L710 WeakPolarHBondContact O-CB 3.33Å; E706-L710 VanDerWaalsContact O-CG 3.29Å; E706-L710 WeakPolarHBondContact O-CG 3.4Å; E706-L710 PolarHBondContact O-N 3.02Å; L710-Q713 PolarHBondContact O-N 3.2Å; L710-S714 VanDerWaalsContact O-CB 3.3Å; L710-S714 WeakPolarHBondContact O-CB 3.44Å; L710-S714 PolarHBondContact O-N 2.71Å
711I59.9Low58.1Low3 Ų372.7 Ų72.72%0.01537%0.368CS..Hα-helixtrans-66.5-51.8175.1-70.8165.7000109.3V3 V5 I20 L29 S707 C708 R709 Q713 S714 M715V3-I711 HydrophobicContact CG1-CD1 4.43Å; V3-I711 HydrophobicContact CG1-CG1 4.16Å; V5-I711 HydrophobicContact CG2-CG1 4.45Å; I20-I711 HydrophobicContact CG2-CG2 4.08Å; L29-I711 HydrophobicContact CD1-CD1 3.08Å; L29-I711 HydrophobicContact CD1-CG1 4.46Å; L29-I711 HydrophobicContact CD2-CD1 3.69Å; L29-I711 HydrophobicContact CG-CD1 3.56Å; S707-I711 WeakPolarHBondContact O-CB 3.34Å; S707-I711 VanDerWaalsContact O-CD1 3.31Å; S707-I711 WeakPolarHBondContact O-CD1 3.14Å; S707-I711 WeakPolarHBondContact O-CG1 3.4Å; S707-I711 PolarHBondContact O-N 2.92Å; C708-I711 PolarHBondContact O-N 2.76Å; R709-I711 VanDerWaalsContact C-N 3.32Å; R709-I711 PolarHBondContact O-N 2.67Å; I711-Q713 VanDerWaalsContact C-N 3.28Å; I711-Q713 PolarHBondContact O-N 3.04Å; I711-S714 PolarHBondContact O-N 2.91Å; I711-M715 HydrophobicContact CG2-CG 4.36Å; I711-M715 HydrophobicContact CG2-SD 4.4Å; I711-M715 WeakPolarHBondContact O-CG 3.4Å; I711-M715 PolarHBondContact O-N 3.2Å
712L62Low57.8Low82 Ų8277 Ų7743%0.42939%0.385SS..Hα-helixtrans-55.6-40175.2-74.1169.6000112.7C708 R709 M715 M716C708-L712 VanDerWaalsContact O-CB 3.27Å; C708-L712 WeakPolarHBondContact O-CB 3.49Å; C708-L712 WeakPolarHBondContact O-CG 3.31Å; C708-L712 PolarHBondContact O-N 3.33Å; R709-L712 PolarHBondContact O-N 3.24Å; L712-M715 HydrophobicContact CD2-SD 4.35Å; L712-M715 WeakPolarHBondContact O-CB 3.41Å; L712-M715 PolarHBondContact O-N 3.29Å; L712-M716 WeakPolarHBondContact O-CG 3.2Å; L712-M716 PolarHBondContact O-N 3.18Å
713Q66.7Low57Low86 Ų8683.5 Ų83.540%0.40240%0.4SS..Hα-helixtrans-69.8-46178.4-175.1158.77.600111.2R709 L710 I711 M715 M716 D717R709-Q713 WeakPolarHBondContact O-CB 3.41Å; R709-Q713 PolarHBondContact O-N 2.91Å; L710-Q713 PolarHBondContact O-N 3.2Å; I711-Q713 VanDerWaalsContact C-N 3.28Å; I711-Q713 PolarHBondContact O-N 3.04Å; Q713-M715 PolarHBondContact O-N 2.89Å; Q713-M716 WeakPolarHBondContact O-CB 3.33Å; Q713-M716 PolarHBondContact O-N 3.48Å; Q713-D717 PolarHBondContact O-N 3.04Å
714S56.8Low57.3Low36 Ų3682.5 Ų82.525%0.25240%0.396SS..Hα-helixtrans-59.1-35.9170.7-1790000111.9V5 L710 I711 E718V5-S714 WeakPolarHBondContact CG1-OG 3.38Å; L710-S714 VanDerWaalsContact O-CB 3.3Å; L710-S714 WeakPolarHBondContact O-CB 3.44Å; L710-S714 PolarHBondContact O-N 2.71Å; I711-S714 PolarHBondContact O-N 2.91Å; S714-E718 VanDerWaalsContact O-CB 3.32Å; S714-E718 WeakPolarHBondContact O-CB 3.49Å; S714-E718 PolarHBondContact O-N 2.92Å
715M49.3Very low57.5Low12 Ų1283.9 Ų83.96%0.05940%0.404CS..Hα-helixtrans-66-42.5173.4-42.8-166.733.100111.2I20 R31 L33 I711 L712 Q713 E718 I719I20-M715 HydrophobicContact CD1-CB 3.76Å; I20-M715 HydrophobicContact CD1-CE 3.88Å; I20-M715 HydrophobicContact CD1-CG 3.35Å; I20-M715 HydrophobicContact CD1-SD 3.94Å; R31-M715 PolarHBondContact NH1-SD 2.81Å; R31-M715 VanDerWaalsContact NH1-SD 3.45Å; L33-M715 HydrophobicContact CD2-CE 3.49Å; L33-M715 VanDerWaalsContact CD2-CE 3.49Å; I711-M715 HydrophobicContact CG2-CG 4.36Å; I711-M715 HydrophobicContact CG2-SD 4.4Å; I711-M715 WeakPolarHBondContact O-CG 3.4Å; I711-M715 PolarHBondContact O-N 3.2Å; L712-M715 HydrophobicContact CD2-SD 4.35Å; L712-M715 WeakPolarHBondContact O-CB 3.41Å; L712-M715 PolarHBondContact O-N 3.29Å; Q713-M715 PolarHBondContact O-N 2.89Å; M715-E718 PolarHBondContact O-N 3.18Å; M715-I719 WeakPolarHBondContact O-CB 3.27Å; M715-I719 WeakPolarHBondContact O-CG1 3.22Å; M715-I719 PolarHBondContact O-N 3.45Å
716M60.7Low57.5Low104 Ų10482.1 Ų82.151%0.51240%0.397SS..Hα-helixtrans-61.8-49.9178.3-73.2-97.5-73.800109.6L712 Q713 E718 I719 Y720L712-M716 WeakPolarHBondContact O-CG 3.2Å; L712-M716 PolarHBondContact O-N 3.18Å; Q713-M716 WeakPolarHBondContact O-CB 3.33Å; Q713-M716 PolarHBondContact O-N 3.48Å; M716-E718 VanDerWaalsContact C-N 3.27Å; M716-E718 PolarHBondContact O-N 3.48Å; M716-I719 PolarHBondContact O-N 3.22Å; M716-Y720 HydrophobicContact CB-CD2 4.37Å; M716-Y720 HydrophobicContact CE-CE2 4.08Å; M716-Y720 WeakPolarHBondContact O-CB 3.46Å; M716-Y720 WeakPolarHBondContact O-CD2 3.42Å; M716-Y720 PolarHBondContact O-N 3.34Å; M716-Y720 HydrophobicContact SD-CE2 4.41Å
717D66.8Low57.2Low96 Ų9682.5 Ų82.551%0.51340%0.399SS..Hα-helixtrans-59.5-39-179.8-63-19.6000111.6Q713 S721Q713-D717 PolarHBondContact O-N 3.04Å; D717-S721 WeakPolarHBondContact O-CB 3.37Å; D717-S721 PolarHBondContact O-N 3.03Å
718E52Low57.2Low62 Ų6287.5 Ų87.529%0.2942%0.423SS..Hα-helixtrans-74.7-40.5178.4-162.4169.6-131.700112.7L7 S714 M715 M716 Y720 S721 I722L7-E718 WeakPolarHBondContact CD1-OE1 3.18Å; L7-E718 WeakPolarHBondContact CD2-OE2 3.06Å; L7-E718 WeakPolarHBondContact CG-OE1 3.38Å; S714-E718 VanDerWaalsContact O-CB 3.32Å; S714-E718 WeakPolarHBondContact O-CB 3.49Å; S714-E718 PolarHBondContact O-N 2.92Å; M715-E718 PolarHBondContact O-N 3.18Å; M716-E718 VanDerWaalsContact C-N 3.27Å; M716-E718 PolarHBondContact O-N 3.48Å; E718-Y720 VanDerWaalsContact C-N 3.32Å; E718-Y720 PolarHBondContact O-N 3.07Å; E718-S721 PolarHBondContact O-N 3.47Å; E718-I722 HydrophobicContact CG-CD1 4.5Å; E718-I722 VanDerWaalsContact O-CG1 3.29Å; E718-I722 WeakPolarHBondContact O-CG1 3.33Å; E718-I722 PolarHBondContact O-N 3.13Å
719I47.1Very low57.1Low83 Ų8391.6 Ų91.643%0.42644%0.44SS..Hα-helixtrans-60.2-44.3170.6-70.9167.1000109.9M715 M716 S721 I722 Y723M715-I719 WeakPolarHBondContact O-CB 3.27Å; M715-I719 WeakPolarHBondContact O-CG1 3.22Å; M715-I719 PolarHBondContact O-N 3.45Å; M716-I719 PolarHBondContact O-N 3.22Å; I719-S721 VanDerWaalsContact C-N 3.27Å; I719-S721 PolarHBondContact O-N 3.11Å; I719-I722 PolarHBondContact O-N 3.38Å; I719-Y723 HydrophobicContact CG2-CD2 3.76Å; I719-Y723 HydrophobicContact CG2-CE2 3.84Å; I719-Y723 WeakPolarHBondContact O-CD2 3.07Å; I719-Y723 PolarHBondContact O-N 3.25Å
720Y60.4Low56.4Low162 Ų16289.6 Ų89.664%0.63544%0.439SS*.Hα-helixtrans-65.4-26.7175.6-86.4-67.3000113.4M716 E718 Y723M716-Y720 HydrophobicContact CB-CD2 4.37Å; M716-Y720 HydrophobicContact CE-CE2 4.08Å; M716-Y720 WeakPolarHBondContact O-CB 3.46Å; M716-Y720 WeakPolarHBondContact O-CD2 3.42Å; M716-Y720 PolarHBondContact O-N 3.34Å; M716-Y720 HydrophobicContact SD-CE2 4.41Å; E718-Y720 VanDerWaalsContact C-N 3.32Å; E718-Y720 PolarHBondContact O-N 3.07Å; Y720-Y723 VanDerWaalsContact O-OXT 3.06Å
721S56.5Low55.7Low100 Ų10092.6 Ų92.670%0.69945%0.452SS*.Hα-helixtrans-80.2-21.8173.9-179.10000113.1D717 E718 I719D717-S721 WeakPolarHBondContact O-CB 3.37Å; D717-S721 PolarHBondContact O-N 3.03Å; E718-S721 PolarHBondContact O-N 3.47Å; I719-S721 VanDerWaalsContact C-N 3.27Å; I719-S721 PolarHBondContact O-N 3.11Å
722I46.6Very low55.3Low138 Ų138100.1 Ų100.171%0.70849%0.489SS*.Hα-helixtrans-85.7-34.6177.4-68.6165.6000111.1E718 I719E718-I722 HydrophobicContact CG-CD1 4.5Å; E718-I722 VanDerWaalsContact O-CG1 3.29Å; E718-I722 WeakPolarHBondContact O-CG1 3.33Å; E718-I722 PolarHBondContact O-N 3.13Å; I719-I722 PolarHBondContact O-N 3.38Å
723Y39.2Very low54.7Low240 Ų240101.7 Ų101.794%0.94149%0.494SS*.  trans-70.90167.7-87.6-79.4000111.2I719 Y720I719-Y723 HydrophobicContact CG2-CD2 3.76Å; I719-Y723 HydrophobicContact CG2-CE2 3.84Å; I719-Y723 WeakPolarHBondContact O-CD2 3.07Å; I719-Y723 PolarHBondContact O-N 3.25Å; Y720-Y723 VanDerWaalsContact O-OXT 3.06Å

Retrieved 723 of 723 residues in 1248.3 ms (Link to these results)

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