A0A077Z310_TRITR Loading...

Alkylated DNA repair protein alkB

AlphaFold DB , UniProt , Accession A0A077Z310, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 573 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
1M60.9Low85.6Confident143 Ų143113.5 Ų113.570%0.70451%0.508SS*.  0153.50-77.8-176.3-75.400109E6 H91M1-E6 HydrophobicContact CB-CG 4.06Å; M1-E6 HydrophobicContact CE-CG 3.99Å; M1-E6 HydrophobicContact SD-CG 4.25Å; M1-H91 PolarHBondContact SD-NE2 2.86Å
2S74Confident86.1Confident71 Ų71105.3 Ų105.350%0.49748%0.476SS..  trans-72.8141.4171.380.20000109.3K4 A5 E6S2-K4 PolarHBondContact O-N 2.67Å; S2-A5 WeakPolarHBondContact O-CB 3.49Å; S2-A5 PolarHBondContact O-N 3.15Å; S2-A5 PolarHBondContact OG-N 3.1Å; S2-A5 VanDerWaalsContact OG-N 3.17Å; S2-E6 PolarHBondContact O-N 2.95Å
3K82.4Confident86.7Confident189 Ų18998.7 Ų98.782%0.82245%0.448SS*.Hα-helixtrans-50.6-27.3173.8-72.9-175.6175.6-179.80112.5K7K3-K7 WeakPolarHBondContact O-CB 3.26Å; K3-K7 PolarHBondContact O-N 3.32Å
4K85.9Confident87.1Confident151 Ų15194.6 Ų94.666%0.65744%0.441SS*.Hα-helixtrans-70-41176-172.2177.9-179.9179.50112.4S2 R8S2-K4 PolarHBondContact O-N 2.67Å; K4-R8 WeakPolarHBondContact O-CG 3.44Å; K4-R8 PolarHBondContact O-N 2.82Å; K4-R8 VanDerWaalsContact O-N 3.14Å
5A86.9Confident87.1Confident7 Ų792.3 Ų92.36%0.05843%0.433CS..Hα-helixtrans-67.4-44.3178.900000111.6S2 K7 R8 L9 Y105S2-A5 WeakPolarHBondContact O-CB 3.49Å; S2-A5 PolarHBondContact O-N 3.15Å; S2-A5 PolarHBondContact OG-N 3.1Å; S2-A5 VanDerWaalsContact OG-N 3.17Å; A5-K7 PolarHBondContact O-N 3.14Å; A5-R8 PolarHBondContact O-N 2.89Å; A5-R8 VanDerWaalsContact O-N 3.11Å; A5-L9 PolarHBondContact O-N 3.45Å; A5-Y105 HydrophobicContact CB-CD1 4.17Å; A5-Y105 HydrophobicContact CB-CE1 3.77Å
6E87.9Confident87.3Confident68 Ų6886.6 Ų86.632%0.31841%0.406SS..Hα-helixtrans-60.3-44.4175.8-71.5168.7-165.700112M1 S2 R8 L9 R10M1-E6 HydrophobicContact CB-CG 4.06Å; M1-E6 HydrophobicContact CE-CG 3.99Å; M1-E6 HydrophobicContact SD-CG 4.25Å; S2-E6 PolarHBondContact O-N 2.95Å; E6-R8 VanDerWaalsContact C-N 3.26Å; E6-R8 PolarHBondContact O-N 3.01Å; E6-L9 PolarHBondContact O-N 3.47Å; E6-R10 WeakPolarHBondContact O-CG 3.47Å; E6-R10 PolarHBondContact O-N 2.62Å
7K90.5Very high87.3Confident142 Ų14288.3 Ų88.362%0.61741%0.414SS*.Hα-helixtrans-61.1-35175.6-175.1174.8-178.3174.50112.5K3 A5 K11K3-K7 WeakPolarHBondContact O-CB 3.26Å; K3-K7 PolarHBondContact O-N 3.32Å; A5-K7 PolarHBondContact O-N 3.14Å; K7-K11 PolarHBondContact O-N 3.35Å
8R92.4Very high87.1Confident132 Ų13291.8 Ų91.850%0.49843%0.43SS..Hα-helixtrans-75.8-42.4178.9-70.7-75.4-177.6178.82.2111.5K4 A5 E6 K11 A12 Y105K4-R8 WeakPolarHBondContact O-CG 3.44Å; K4-R8 PolarHBondContact O-N 2.82Å; K4-R8 VanDerWaalsContact O-N 3.14Å; A5-R8 PolarHBondContact O-N 2.89Å; A5-R8 VanDerWaalsContact O-N 3.11Å; E6-R8 VanDerWaalsContact C-N 3.26Å; E6-R8 PolarHBondContact O-N 3.01Å; R8-K11 PolarHBondContact O-N 3.46Å; R8-A12 PolarHBondContact O-N 3.49Å; R8-A12 VanDerWaalsContact O-N 3.08Å; R8-Y105 HydrophobicContact CB-CD1 4.45Å; R8-Y105 HydrophobicContact CB-CD2 4.29Å; R8-Y105 HydrophobicContact CB-CE1 3.87Å; R8-Y105 HydrophobicContact CB-CE2 3.66Å; R8-Y105 WeakPolarHBondContact CB-OH 3.13Å; R8-Y105 HydrophobicContact CG-CE2 4.38Å; R8-Y105 WeakPolarHBondContact CG-OH 3.45Å
9L94.3Very high86.6Confident27 Ų2790.8 Ų90.814%0.14143%0.425CS..Hα-helixtrans-59-47.1173-179.865.9000110.9A5 E6 K11 A12 V13 Y34 A107A5-L9 PolarHBondContact O-N 3.45Å; E6-L9 PolarHBondContact O-N 3.47Å; L9-K11 VanDerWaalsContact C-N 3.26Å; L9-K11 PolarHBondContact O-N 2.98Å; L9-A12 CarbonylContact O-C 3.6Å; L9-A12 WeakPolarHBondContact O-CA 3.27Å; L9-A12 WeakPolarHBondContact O-CB 3.46Å; L9-A12 PolarHBondContact O-N 3.12Å; L9-V13 HydrophobicContact CD1-CG2 4.02Å; L9-V13 HydrophobicContact CG-CG2 4.09Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 2.87Å; L9-Y34 HydrophobicContact CD1-CD1 4.35Å; L9-Y34 HydrophobicContact CD1-CE1 4.15Å; L9-A107 HydrophobicContact CD1-CB 4.11Å; L9-A107 HydrophobicContact CD2-CB 4.16Å
10R93.1Very high86.1Confident187 Ų18786.7 Ų86.771%0.70641%0.407SS*.Hα-helixtrans-56.1-39177.5-74.9-179.6-171.8177.63.1113.2E6 A14E6-R10 WeakPolarHBondContact O-CG 3.47Å; E6-R10 PolarHBondContact O-N 2.62Å; R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.11Å
11K92.8Very high85.9Confident132 Ų13287.4 Ų87.457%0.57442%0.42SS*.Hα-helixtrans-67-38.3174.6-73.4-173.3173.7-158.40112.4K7 R8 L9 L15K7-K11 PolarHBondContact O-N 3.35Å; R8-K11 PolarHBondContact O-N 3.46Å; L9-K11 VanDerWaalsContact C-N 3.26Å; L9-K11 PolarHBondContact O-N 2.98Å; K11-L15 PolarHBondContact O-N 2.61Å; K11-L15 VanDerWaalsContact O-N 3.15Å
12A92.7Very high86.8Confident15 Ų1585.6 Ų85.612%0.12441%0.409CS..Hα-helixtrans-71.4-37.9178.400000111.9R8 L9 L15 L16 Y34 A36R8-A12 PolarHBondContact O-N 3.49Å; R8-A12 VanDerWaalsContact O-N 3.08Å; L9-A12 CarbonylContact O-C 3.6Å; L9-A12 WeakPolarHBondContact O-CA 3.27Å; L9-A12 WeakPolarHBondContact O-CB 3.46Å; L9-A12 PolarHBondContact O-N 3.12Å; A12-L15 WeakPolarHBondContact O-CB 3.04Å; A12-L15 PolarHBondContact O-N 3.48Å; A12-L16 PolarHBondContact O-N 2.78Å; A12-Y34 HydrophobicContact CB-CE1 4.36Å; A12-Y34 WeakPolarHBondContact CB-OH 3.33Å; A12-Y34 PolarHBondContact O-OH 2.86Å; A12-Y34 VanDerWaalsContact O-OH 3.07Å; A12-A36 HydrophobicContact CB-CB 3.44Å; A12-A36 VanDerWaalsContact CB-CB 3.44Å
13V93.1Very high87.3Confident19 Ų1982.6 Ų82.612%0.11539%0.388CS..Hα-helixtrans-66.2-44.2173.5172.80000111.2L9 L15 L16 E17 I25 Y34L9-V13 HydrophobicContact CD1-CG2 4.02Å; L9-V13 HydrophobicContact CG-CG2 4.09Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 2.87Å; V13-L15 PolarHBondContact O-N 3.33Å; V13-L16 CarbonylContact O-C 3.46Å; V13-L16 WeakPolarHBondContact O-CA 3.15Å; V13-L16 WeakPolarHBondContact O-CB 3.47Å; V13-L16 PolarHBondContact O-N 3.17Å; V13-E17 HydrophobicContact CG1-CG 4.41Å; V13-E17 WeakPolarHBondContact O-CG 3.38Å; V13-E17 PolarHBondContact O-N 3.25Å; V13-I25 HydrophobicContact CG1-CG1 3.75Å; V13-I25 HydrophobicContact CG2-CD1 4.46Å; V13-I25 HydrophobicContact CG2-CG1 4.08Å; V13-Y34 HydrophobicContact CG2-CE1 4.23Å
14A92Very high87.5Confident42 Ų4276.6 Ų76.635%0.34737%0.367SS..Hα-helixtrans-59.9-33.1173.800000112.5R10 Q18R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.11Å; A14-Q18 WeakPolarHBondContact O-CG 3.36Å; A14-Q18 PolarHBondContact O-N 2.73Å
15L88.3Confident87.9Confident60 Ų6071.4 Ų71.431%0.31435%0.346SS..Hα-helixtrans-72.6-34.8172.8-173.768.3000111.9K11 A12 V13 H19 P71K11-L15 PolarHBondContact O-N 2.61Å; K11-L15 VanDerWaalsContact O-N 3.15Å; A12-L15 WeakPolarHBondContact O-CB 3.04Å; A12-L15 PolarHBondContact O-N 3.48Å; V13-L15 PolarHBondContact O-N 3.33Å; L15-H19 VanDerWaalsContact CD1-CE1 3.41Å; L15-H19 WeakPolarHBondContact CD1-CE1 3.47Å; L15-H19 VanDerWaalsContact CG-CE1 3.44Å; L15-H19 WeakPolarHBondContact CG-CE1 3.4Å; L15-H19 VanDerWaalsContact O-CG 3.22Å; L15-H19 PolarHBondContact O-N 2.98Å; L15-H19 PolarHBondContact O-ND1 3.26Å; L15-P71 HydrophobicContact CD2-CG 3.68Å
16L89.1Confident88.2Confident0 Ų071.9 Ų71.90%035%0.349CS..Hα-helixtrans-64.9-47.1173.9173.667.1000111.2A12 V13 Q18 H19 A20 V23 I25 Y34 Y72 F74A12-L16 PolarHBondContact O-N 2.78Å; V13-L16 CarbonylContact O-C 3.46Å; V13-L16 WeakPolarHBondContact O-CA 3.15Å; V13-L16 WeakPolarHBondContact O-CB 3.47Å; V13-L16 PolarHBondContact O-N 3.17Å; L16-Q18 PolarHBondContact O-N 3.48Å; L16-H19 CarbonylContact O-C 3.57Å; L16-H19 WeakPolarHBondContact O-CA 3.42Å; L16-H19 PolarHBondContact O-N 3.29Å; L16-A20 HydrophobicContact CD1-CB 4.05Å; L16-A20 PolarHBondContact O-N 3.04Å; L16-V23 HydrophobicContact CD2-CB 4.45Å; L16-V23 HydrophobicContact CD2-CG1 3.91Å; L16-I25 HydrophobicContact CD2-CD1 3.95Å; L16-Y34 HydrophobicContact CB-CE2 4.06Å; L16-Y34 HydrophobicContact CD1-CD2 4.32Å; L16-Y34 HydrophobicContact CD1-CE2 4.05Å; L16-Y34 HydrophobicContact CD2-CD2 3.64Å; L16-Y34 HydrophobicContact CD2-CE2 3.75Å; L16-Y34 HydrophobicContact CD2-CG 4.06Å; L16-Y34 HydrophobicContact CG-CD2 4.45Å; L16-Y34 HydrophobicContact CG-CE2 4.17Å; L16-Y72 HydrophobicContact CD1-CD2 4.24Å; L16-Y72 HydrophobicContact CD1-CE1 4.13Å; L16-Y72 HydrophobicContact CD1-CE2 3.73Å; L16-F74 HydrophobicContact CD1-CE2 4.44Å; L16-F74 HydrophobicContact CD1-CZ 3.77Å; L16-F74 HydrophobicContact CD2-CZ 4.36Å
17E88Confident88.3Confident116 Ų11677.5 Ų77.554%0.54238%0.375SS..Hα-helixtrans-58-31.6178.7-70.8167.717700112.2V13 P21V13-E17 HydrophobicContact CG1-CG 4.41Å; V13-E17 WeakPolarHBondContact O-CG 3.38Å; V13-E17 PolarHBondContact O-N 3.25Å; E17-P21 WeakPolarHBondContact O-CA 3.4Å
18Q82.9Confident88.4Confident151 Ų15178.6 Ų78.671%0.70638%0.38SS*.Hα-helixtrans-72.7-31172.7-70.8175.95.400113.1A14 L16A14-Q18 WeakPolarHBondContact O-CG 3.36Å; A14-Q18 PolarHBondContact O-N 2.73Å; L16-Q18 PolarHBondContact O-N 3.48Å
19H79.2Confident88.6Confident74 Ų7475 Ų7534%0.34337%0.374SS..Hα-helixtrans-95.7-27-173.2-68.5149.6000114.5L15 L16 K70 Y72L15-H19 VanDerWaalsContact CD1-CE1 3.41Å; L15-H19 WeakPolarHBondContact CD1-CE1 3.47Å; L15-H19 VanDerWaalsContact CG-CE1 3.44Å; L15-H19 WeakPolarHBondContact CG-CE1 3.4Å; L15-H19 VanDerWaalsContact O-CG 3.22Å; L15-H19 PolarHBondContact O-N 2.98Å; L15-H19 PolarHBondContact O-ND1 3.26Å; L16-H19 CarbonylContact O-C 3.57Å; L16-H19 WeakPolarHBondContact O-CA 3.42Å; L16-H19 PolarHBondContact O-N 3.29Å; H19-K70 PolarHBondContact CD2-NZ 3.26Å; H19-Y72 HydrophobicContact CB-CE1 4.29Å; H19-Y72 VanDerWaalsContact CB-OH 3.25Å; H19-Y72 WeakPolarHBondContact CB-OH 3.08Å; H19-Y72 AromaticContact ND1-CE1 3.66Å
20A76.1Confident88.6Confident8 Ų874.2 Ų74.27%0.06637%0.37CS..  trans-151.271.6-175.700000109L16 E22 V23L16-A20 HydrophobicContact CD1-CB 4.05Å; L16-A20 PolarHBondContact O-N 3.04Å; A20-E22 WeakPolarHBondContact CA-OE2 3.38Å; A20-E22 PolarHBondContact O-N 3.19Å; A20-E22 VanDerWaalsContact O-N 3.12Å; A20-V23 HydrophobicContact CB-CB 4.35Å; A20-V23 HydrophobicContact CB-CG2 3.81Å; A20-V23 WeakPolarHBondContact O-CB 3.32Å; A20-V23 PolarHBondContact O-N 2.91Å
21P80.9Confident88.5Confident102 Ų10267 Ų6766%0.66235%0.345SS*.THydrogen-bonded Turntrans-61.3-18.3-175.428.4-38.5000114E17 V23E17-P21 WeakPolarHBondContact O-CA 3.4Å; P21-V23 VanDerWaalsContact C-N 3.29Å
22E79.8Confident88.5Confident104 Ų10461.2 Ų61.249%0.48632%0.321SS..THydrogen-bonded Turntrans-71.3-21.3173.468.4-79.2-173.700113.7A20 T24A20-E22 WeakPolarHBondContact CA-OE2 3.38Å; A20-E22 PolarHBondContact O-N 3.19Å; A20-E22 VanDerWaalsContact O-N 3.12Å; E22-T24 PolarHBondContact O-N 3.45Å
23V84.1Confident88.6Confident8 Ų860.5 Ų60.55%0.04832%0.315CS..  trans-85.8113.8-177.3179.70000110.4L16 A20 P21 F74 V109L16-V23 HydrophobicContact CD2-CB 4.45Å; L16-V23 HydrophobicContact CD2-CG1 3.91Å; A20-V23 HydrophobicContact CB-CB 4.35Å; A20-V23 HydrophobicContact CB-CG2 3.81Å; A20-V23 WeakPolarHBondContact O-CB 3.32Å; A20-V23 PolarHBondContact O-N 2.91Å; P21-V23 VanDerWaalsContact C-N 3.29Å; V23-F74 HydrophobicContact CG1-CE1 3.71Å; V23-F74 HydrophobicContact CG1-CZ 3.88Å; V23-F74 HydrophobicContact CG2-CZ 4.12Å; V23-V109 HydrophobicContact CG1-CG1 3.73Å; V23-V109 HydrophobicContact CG1-CG2 4.27Å
24T88.4Confident88.7Confident63 Ų6359.7 Ų59.739%0.38731%0.31SS..PPolyproline II helixtrans-102.1130.3179.1-55.60000111E22 V109 E110E22-T24 PolarHBondContact O-N 3.45Å; T24-V109 WeakPolarHBondContact O-CA 3.43Å; T24-E110 HydrophobicContact CG2-CG 4.13Å; T24-E110 WeakPolarHBondContact CG2-OE2 3.39Å; T24-E110 PolarHBondContact O-N 2.96Å
25I93.1Very high88.9Confident43 Ų4357.7 Ų57.722%0.22129%0.293CS..EExtended strand (participates in β ladder)trans-78.8126.8176.7-63.6-55.7000110.1V13 L16 Y34 A107 F108 V109V13-I25 HydrophobicContact CG1-CG1 3.75Å; V13-I25 HydrophobicContact CG2-CD1 4.46Å; V13-I25 HydrophobicContact CG2-CG1 4.08Å; L16-I25 HydrophobicContact CD2-CD1 3.95Å; I25-Y34 HydrophobicContact CD1-CD1 4.48Å; I25-Y34 HydrophobicContact CD1-CG 4.41Å; I25-A107 HydrophobicContact CD1-CB 3.98Å; I25-A107 HydrophobicContact CG2-CB 3.9Å; I25-F108 CarbonylContact C-O 3.43Å; I25-F108 WeakPolarHBondContact CA-O 3.49Å; I25-F108 WeakPolarHBondContact CG2-O 3.47Å; I25-V109 HydrophobicContact CD1-CG2 4.28Å
26S93.3Very high89.2Confident16 Ų1654.9 Ų54.911%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-88.7133.9177.3178.70000111.8K28 F108S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 WeakPolarHBondContact CB-O 3.41Å; S26-K28 PolarHBondContact OG-N 3.33Å; S26-K28 VanDerWaalsContact OG-N 3.1Å; S26-K28 PolarHBondContact OG-O 2.96Å; S26-F108 PolarHBondContact N-O 3.27Å
27E90.6Very high89.3Confident186 Ų18656.5 Ų56.587%0.86929%0.287SS*.SBendtrans-74.5-26.6168.2-71-65.6159.700112.1
28K92.9Very high89.3Confident165 Ų16551 Ų5172%0.71726%0.262SS*.SBendtrans-89.6145.9176.8-65.5-179.8-177.1174.70110.3S26 T30S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 WeakPolarHBondContact CB-O 3.41Å; S26-K28 PolarHBondContact OG-N 3.33Å; S26-K28 VanDerWaalsContact OG-N 3.1Å; S26-K28 PolarHBondContact OG-O 2.96Å; K28-T30 PolarHBondContact O-N 3.44Å
29P95Very high89.3Confident56 Ų5643.8 Ų43.836%0.36423%0.228SC..  trans-55.1129.6171.6-24.934.7000112.2I80 Q84 F108P29-I80 HydrophobicContact CB-CG2 3.77Å; P29-Q84 HydrophobicContact CB-CG 3.81Å; P29-Q84 HydrophobicContact CG-CG 4.35Å; P29-F108 HydrophobicContact CB-CD2 4.48Å; P29-F108 HydrophobicContact CB-CE1 4.2Å; P29-F108 HydrophobicContact CB-CE2 4.03Å; P29-F108 HydrophobicContact CB-CZ 3.89Å; P29-F108 HydrophobicContact CG-CE2 4.1Å; P29-F108 HydrophobicContact CG-CZ 4.33Å
30T94.5Very high88.8Confident11 Ų1143.9 Ų43.97%0.06723%0.23CC..  trans-125.9171.9171.1650000109.1K28 I32 A83 F108 V109K28-T30 PolarHBondContact O-N 3.44Å; T30-I32 PolarHBondContact O-N 3.36Å; T30-I32 PolarHBondContact OG1-N 2.96Å; T30-I32 PolarHBondContact OG1-O 3.39Å; T30-I32 VanDerWaalsContact OG1-O 3.14Å; T30-A83 WeakPolarHBondContact O-CB 3.36Å; T30-F108 WeakPolarHBondContact O-CD1 3.43Å; T30-V109 VanDerWaalsContact CB-O 3.27Å; T30-V109 WeakPolarHBondContact CB-O 3.43Å; T30-V109 VanDerWaalsContact CG2-O 3.26Å; T30-V109 WeakPolarHBondContact CG2-O 3.38Å; T30-V109 PolarHBondContact OG1-N 3.19Å; T30-V109 PolarHBondContact OG1-O 2.77Å
31N92.1Very high88.7Confident35 Ų3546.6 Ų46.619%0.18725%0.246CC..SBendtrans-79.7-5.4177.566.7-54.6000112.8F77 I80 N111N31-F77 VanDerWaalsContact CB-O 3.28Å; N31-F77 WeakPolarHBondContact CB-O 3.42Å; N31-F77 PolarHBondContact ND2-O 2.99Å; N31-F77 PolarHBondContact O-N 2.81Å; N31-I80 HydrophobicContact CB-CG1 4.07Å; N31-N111 PolarHBondContact OD1-ND2 3.47Å; N31-N111 PolarHBondContact OD1-OD1 3.2Å
32I92.7Very high88.8Confident11 Ų1142.2 Ų42.26%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-108.7125-179-51.3178.1000110T30 I75 F108 V109 F114T30-I32 PolarHBondContact O-N 3.36Å; T30-I32 PolarHBondContact OG1-N 2.96Å; T30-I32 PolarHBondContact OG1-O 3.39Å; T30-I32 VanDerWaalsContact OG1-O 3.14Å; I32-I75 CarbonylContact C-O 3.59Å; I32-I75 WeakPolarHBondContact CA-O 3.49Å; I32-F108 WeakPolarHBondContact O-CA 3.45Å; I32-V109 HydrophobicContact CB-CB 4.11Å; I32-V109 HydrophobicContact CG2-CB 3.86Å; I32-V109 HydrophobicContact CG2-CG1 4.4Å; I32-V109 HydrophobicContact CG2-CG2 4.2Å; I32-V109 PolarHBondContact O-N 2.9Å; I32-F114 HydrophobicContact CD1-CB 3.67Å; I32-F114 HydrophobicContact CD1-CD2 4.18Å; I32-F114 HydrophobicContact CD1-CG 3.88Å; I32-F114 HydrophobicContact CG2-CD2 3.73Å; I32-F114 HydrophobicContact CG2-CE2 3.97Å; I32-F114 HydrophobicContact CG2-CG 4.46Å
33L95.1Very high88.5Confident0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-109128.5175.3-69.3173.5000110.9F74 I75 F77 A83 L86 K87 F106 A107 F108L33-F74 CarbonylContact O-C 3.59Å; L33-F74 WeakPolarHBondContact O-CA 3.28Å; L33-I75 PolarHBondContact N-O 3.42Å; L33-I75 PolarHBondContact O-N 3.4Å; L33-F77 HydrophobicContact CD1-CE2 4.05Å; L33-A83 HydrophobicContact CD1-CB 4.02Å; L33-A83 WeakPolarHBondContact CD1-O 3.44Å; L33-A83 HydrophobicContact CD2-CB 4.38Å; L33-A83 HydrophobicContact CG-CB 3.93Å; L33-L86 HydrophobicContact CD1-CB 4.28Å; L33-L86 HydrophobicContact CD1-CD2 3.94Å; L33-L86 HydrophobicContact CD1-CG 4.34Å; L33-K87 HydrophobicContact CD1-CB 4.48Å; L33-K87 HydrophobicContact CD2-CB 4.08Å; L33-K87 HydrophobicContact CD2-CD 4Å; L33-F106 HydrophobicContact CB-CD1 4.43Å; L33-F106 HydrophobicContact CD1-CD1 4.03Å; L33-A107 CarbonylContact C-O 3.55Å; L33-A107 WeakPolarHBondContact CA-O 3.05Å; L33-F108 HydrophobicContact CD2-CD1 3.52Å; L33-F108 HydrophobicContact CD2-CE1 3.56Å; L33-F108 HydrophobicContact CD2-CG 4.37Å; L33-F108 HydrophobicContact CD2-CZ 4.44Å
34Y95.1Very high88.2Confident2 Ų238 Ų381%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-77.4133.9156.5165.1-106.6000109.6L9 A12 V13 L16 I25 A36 Y72 F74 F106 A107L9-Y34 HydrophobicContact CD1-CD1 4.35Å; L9-Y34 HydrophobicContact CD1-CE1 4.15Å; A12-Y34 HydrophobicContact CB-CE1 4.36Å; A12-Y34 WeakPolarHBondContact CB-OH 3.33Å; A12-Y34 PolarHBondContact O-OH 2.86Å; A12-Y34 VanDerWaalsContact O-OH 3.07Å; V13-Y34 HydrophobicContact CG2-CE1 4.23Å; L16-Y34 HydrophobicContact CB-CE2 4.06Å; L16-Y34 HydrophobicContact CD1-CD2 4.32Å; L16-Y34 HydrophobicContact CD1-CE2 4.05Å; L16-Y34 HydrophobicContact CD2-CD2 3.64Å; L16-Y34 HydrophobicContact CD2-CE2 3.75Å; L16-Y34 HydrophobicContact CD2-CG 4.06Å; L16-Y34 HydrophobicContact CG-CD2 4.45Å; L16-Y34 HydrophobicContact CG-CE2 4.17Å; I25-Y34 HydrophobicContact CD1-CD1 4.48Å; I25-Y34 HydrophobicContact CD1-CG 4.41Å; Y34-A36 HydrophobicContact CE1-CB 3.66Å; Y34-Y72 HydrophobicContact CD2-CD2 4.3Å; Y34-Y72 HydrophobicContact CD2-CG 4.35Å; Y34-Y72 HydrophobicContact CE2-CD1 4.09Å; Y34-Y72 AromaticContact CE2-CD2 3.85Å; Y34-Y72 HydrophobicContact CE2-CD2 3.85Å; Y34-Y72 AromaticContact CE2-CG 3.5Å; Y34-Y72 HydrophobicContact CE2-CG 3.5Å; Y34-Y72 VanDerWaalsContact CE2-CG 3.5Å; Y34-F74 HydrophobicContact CD2-CD1 4.5Å; Y34-F74 AromaticContact CD2-CE1 3.93Å; Y34-F74 HydrophobicContact CD2-CE1 3.93Å; Y34-F74 HydrophobicContact CD2-CZ 4.09Å; Y34-F74 HydrophobicContact CG-CE1 4.43Å; Y34-F106 CarbonylContact O-C 3.38Å; Y34-F106 WeakPolarHBondContact O-CA 3.35Å; Y34-A107 HydrophobicContact CD1-CB 4.08Å; Y34-A107 PolarHBondContact N-O 3.19Å; Y34-A107 PolarHBondContact O-N 2.81Å
35V94.9Very high87.6Confident0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-122.291.8-179.2-166.70000110.6G38 Y72 S73 I75 L104 Y105 F106V35-G38 WeakPolarHBondContact O-CA 3.3Å; V35-G38 PolarHBondContact O-N 2.89Å; V35-Y72 WeakPolarHBondContact O-CA 3.39Å; V35-Y72 WeakPolarHBondContact O-CB 3.47Å; V35-S73 PolarHBondContact N-O 2.79Å; V35-S73 PolarHBondContact O-N 2.86Å; V35-S73 VanDerWaalsContact O-N 3.13Å; V35-I75 HydrophobicContact CG2-CD1 3.54Å; V35-I75 HydrophobicContact CG2-CG1 3.89Å; V35-L104 HydrophobicContact CG1-CB 4.44Å; V35-L104 HydrophobicContact CG1-CD1 4.47Å; V35-L104 HydrophobicContact CG1-CD2 4.22Å; V35-Y105 CarbonylContact C-O 3.55Å; V35-F106 HydrophobicContact CB-CD1 4.35Å; V35-F106 HydrophobicContact CB-CE1 4.21Å; V35-F106 HydrophobicContact CG1-CD1 4.1Å; V35-F106 HydrophobicContact CG1-CE1 3.63Å; V35-F106 HydrophobicContact CG1-CE2 4.47Å; V35-F106 HydrophobicContact CG1-CZ 3.84Å; V35-F106 HydrophobicContact CG2-CD1 3.76Å; V35-F106 HydrophobicContact CG2-CE1 3.64Å
36A94.7Very high86.6Confident1 Ų138.7 Ų38.71%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-64.4142.3170.800000111.7A12 Y34 G38 L104 Y105A12-A36 HydrophobicContact CB-CB 3.44Å; A12-A36 VanDerWaalsContact CB-CB 3.44Å; Y34-A36 HydrophobicContact CE1-CB 3.66Å; A36-G38 PolarHBondContact O-N 3.27Å; A36-G38 VanDerWaalsContact O-N 3.17Å; A36-L104 WeakPolarHBondContact O-CA 3.38Å; A36-Y105 HydrophobicContact CB-CD2 4.47Å; A36-Y105 WeakPolarHBondContact CB-O 3.21Å; A36-Y105 PolarHBondContact N-O 2.89Å; A36-Y105 PolarHBondContact O-N 3.4Å
37N92.7Very high85.6Confident35 Ų3544.1 Ų44.119%0.18722%0.224CC..THydrogen-bonded Turntrans59.65.5-167.9-54.5-32.5000113.8G39 C42 P71 Q98 P103 L104N37-G39 VanDerWaalsContact C-N 3.27Å; N37-G39 PolarHBondContact O-N 2.95Å; N37-C42 HydrophobicContact CB-CB 4.28Å; N37-C42 WeakPolarHBondContact O-CB 3.4Å; N37-P71 CarbonylContact C-O 3.56Å; N37-P71 WeakPolarHBondContact CA-O 3.29Å; N37-P71 PolarHBondContact N-O 3.39Å; N37-Q98 PolarHBondContact O-NE2 3.06Å; N37-P103 PolarHBondContact ND2-O 2.98Å; N37-L104 VanDerWaalsContact C-CD2 3.49Å; N37-L104 HydrophobicContact CB-CD2 4.26Å; N37-L104 WeakPolarHBondContact O-CD2 3.25Å
38G88Confident85.4Confident0 Ų037.7 Ų37.70%019%0.193CC..  trans-88.918.6176.100000113.3V35 A36 L49 M66 S73V35-G38 WeakPolarHBondContact O-CA 3.3Å; V35-G38 PolarHBondContact O-N 2.89Å; A36-G38 PolarHBondContact O-N 3.27Å; A36-G38 VanDerWaalsContact O-N 3.17Å; G38-L49 WeakPolarHBondContact O-CD1 3.47Å; G38-M66 WeakPolarHBondContact O-CE 3.48Å; G38-S73 WeakPolarHBondContact O-CB 3.02Å; G38-S73 PolarHBondContact O-OG 3.08Å
39G81.4Confident85Confident0 Ų029.8 Ų29.80%016%0.159CC..SBendtrans-103.9170.7179.600000113.4N37 V41 C42 A44 K70 Y72N37-G39 VanDerWaalsContact C-N 3.27Å; N37-G39 PolarHBondContact O-N 2.95Å; G39-V41 PolarHBondContact O-N 3.45Å; G39-C42 PolarHBondContact O-N 2.79Å; G39-A44 PolarHBondContact O-N 3.18Å; G39-K70 CarbonylContact C-O 3.59Å; G39-K70 VanDerWaalsContact CA-O 3.25Å; G39-K70 WeakPolarHBondContact CA-O 3.45Å; G39-Y72 WeakPolarHBondContact CA-O 3.45Å
40I69.9Low84.6Confident75 Ų7530 Ų3039%0.38516%0.155SC..G310 helixtrans-56.9-38.1-175.6-59.2179.1000111.9C42 G43 A44 M66 F68 K70I40-C42 PolarHBondContact O-N 2.86Å; I40-C42 VanDerWaalsContact O-N 3.16Å; I40-G43 PolarHBondContact O-N 2.81Å; I40-A44 VanDerWaalsContact CA-O 3.24Å; I40-A44 WeakPolarHBondContact CA-O 3.4Å; I40-M66 HydrophobicContact CG1-CE 3.89Å; I40-F68 HydrophobicContact CD1-CD2 3.98Å; I40-K70 PolarHBondContact N-O 3.11Å
41V74.3Confident84.2Confident65 Ų6534.8 Ų34.839%0.39418%0.178SC..G310 helixtrans-63.1-24.8179.5-1710000112.8G39 N69G39-V41 PolarHBondContact O-N 3.45Å; V41-N69 HydrophobicContact CG2-CB 4.3Å; V41-N69 WeakPolarHBondContact CG2-O 3.41Å; V41-N69 WeakPolarHBondContact CG2-OD1 3.46Å
42C82.8Confident84.2Confident10 Ų1033.4 Ų33.47%0.06817%0.171CC..G310 helixtrans-96.29.6179.3-610000112.7N37 G39 I40 Q98N37-C42 HydrophobicContact CB-CB 4.28Å; N37-C42 WeakPolarHBondContact O-CB 3.4Å; G39-C42 PolarHBondContact O-N 2.79Å; I40-C42 PolarHBondContact O-N 2.86Å; I40-C42 VanDerWaalsContact O-N 3.16Å; C42-Q98 WeakPolarHBondContact O-CG 3.4Å
43G73.9Confident84.1Confident22 Ų2232.9 Ų32.923%0.22717%0.168CC..THydrogen-bonded Turntrans836.8178.600000115.2I40 K48I40-G43 PolarHBondContact O-N 2.81Å; G43-K48 PolarHBondContact O-NZ 2.93Å
44A76.9Confident83.8Confident3 Ų335.3 Ų35.33%0.02519%0.185CC..  trans-81.9135.5169.700000109.7G39 I40 L49 M66G39-A44 PolarHBondContact O-N 3.18Å; I40-A44 VanDerWaalsContact CA-O 3.24Å; I40-A44 WeakPolarHBondContact CA-O 3.4Å; A44-L49 HydrophobicContact CB-CG 4.43Å; A44-M66 HydrophobicContact CB-CE 4.14Å; A44-M66 VanDerWaalsContact O-CE 3.25Å; A44-M66 WeakPolarHBondContact O-CE 3.47Å
45D75.3Confident83.6Confident49 Ų4938.2 Ų38.226%0.26222%0.216SC..  trans-118.5178.116851.639000109.1E47 K48 L49D45-E47 PolarHBondContact OD1-N 2.75Å; D45-K48 PolarHBondContact O-N 2.88Å; D45-K48 WeakPolarHBondContact OD1-CB 3.31Å; D45-K48 WeakPolarHBondContact OD1-CD 3.47Å; D45-K48 WeakPolarHBondContact OD1-CG 3.36Å; D45-K48 PolarHBondContact OD1-N 3.4Å; D45-K48 VanDerWaalsContact OD2-CD 3.31Å; D45-K48 WeakPolarHBondContact OD2-CD 3.38Å; D45-K48 WeakPolarHBondContact OD2-CE 3.38Å; D45-K48 IonicContact OD2-NZ 3.84Å; D45-K48 PolarHBondContact OD2-NZ 2.93Å; D45-L49 PolarHBondContact O-N 3Å
46Y73.7Confident83.4Confident70 Ų7040.9 Ų40.928%0.27523%0.227SC..Hα-helixtrans-61.4-47.1-177.4-179.8-86.2000110.4K48 L49 E50 V64 M66 L267Y46-K48 VanDerWaalsContact C-N 3.3Å; Y46-K48 PolarHBondContact O-N 3.43Å; Y46-L49 PolarHBondContact O-N 3.38Å; Y46-E50 HydrophobicContact CD1-CB 4.35Å; Y46-E50 HydrophobicContact CE1-CB 4.06Å; Y46-E50 VanDerWaalsContact CE1-CD 3.45Å; Y46-E50 HydrophobicContact CE1-CG 4.27Å; Y46-E50 WeakPolarHBondContact CE1-OE1 3.47Å; Y46-E50 VanDerWaalsContact O-CB 3.24Å; Y46-E50 WeakPolarHBondContact O-CB 3.37Å; Y46-E50 PolarHBondContact O-N 3.39Å; Y46-E50 PolarHBondContact OH-OE1 3.01Å; Y46-V64 HydrophobicContact CD2-CB 4.03Å; Y46-V64 HydrophobicContact CD2-CG1 4.35Å; Y46-V64 HydrophobicContact CE2-CB 3.79Å; Y46-M66 VanDerWaalsContact CA-SD 3.58Å; Y46-M66 PolarHBondContact N-SD 2.92Å; Y46-L267 HydrophobicContact CE1-CD2 4.19Å; Y46-L267 HydrophobicContact CE2-CD2 4Å
47E71.8Confident83.1Confident131 Ų13141.5 Ų41.561%0.61223%0.232SC*.Hα-helixtrans-60.1-39.5-179.1-63.6101.1170.800112.1D45 M51D45-E47 PolarHBondContact OD1-N 2.75Å; E47-M51 WeakPolarHBondContact O-CB 3.49Å; E47-M51 PolarHBondContact O-N 2.98Å
48K85.6Confident82.7Confident50 Ų5046.4 Ų46.422%0.21725%0.254CS..Hα-helixtrans-65.6-42.6178.2-76162.2-169.91550112.9G43 D45 Y46 L52 W97G43-K48 PolarHBondContact O-NZ 2.93Å; D45-K48 PolarHBondContact O-N 2.88Å; D45-K48 WeakPolarHBondContact OD1-CB 3.31Å; D45-K48 WeakPolarHBondContact OD1-CD 3.47Å; D45-K48 WeakPolarHBondContact OD1-CG 3.36Å; D45-K48 PolarHBondContact OD1-N 3.4Å; D45-K48 VanDerWaalsContact OD2-CD 3.31Å; D45-K48 WeakPolarHBondContact OD2-CD 3.38Å; D45-K48 WeakPolarHBondContact OD2-CE 3.38Å; D45-K48 IonicContact OD2-NZ 3.84Å; D45-K48 PolarHBondContact OD2-NZ 2.93Å; Y46-K48 VanDerWaalsContact C-N 3.3Å; Y46-K48 PolarHBondContact O-N 3.43Å; K48-L52 WeakPolarHBondContact O-CB 3.29Å; K48-L52 PolarHBondContact O-N 3.29Å; K48-L52 VanDerWaalsContact O-N 3.13Å; K48-W97 HydrophobicContact CB-CD2 4.29Å; K48-W97 HydrophobicContact CB-CG 4.11Å; K48-W97 HydrophobicContact CD-CB 3.82Å; K48-W97 VanDerWaalsContact CD-CD1 3.47Å; K48-W97 HydrophobicContact CD-CG 3.73Å; K48-W97 HydrophobicContact CG-CB 4Å; K48-W97 HydrophobicContact CG-CD2 4.18Å; K48-W97 HydrophobicContact CG-CG 3.68Å; K48-W97 WeakPolarHBondContact O-CZ2 2.94Å
49L85.3Confident82.1Confident0 Ų049.5 Ų49.50%027%0.274CS..Hα-helixtrans-74-37.6176.8-70.7176.3000111.9G38 A44 D45 Y46 M51 L52 C53 V64 M66 S73G38-L49 WeakPolarHBondContact O-CD1 3.47Å; A44-L49 HydrophobicContact CB-CG 4.43Å; D45-L49 PolarHBondContact O-N 3Å; Y46-L49 PolarHBondContact O-N 3.38Å; L49-M51 VanDerWaalsContact C-N 3.35Å; L49-L52 HydrophobicContact CD2-CD2 4.43Å; L49-L52 VanDerWaalsContact O-CB 3.29Å; L49-L52 WeakPolarHBondContact O-CB 2.98Å; L49-L52 PolarHBondContact O-N 2.93Å; L49-C53 PolarHBondContact O-N 3.18Å; L49-C53 PolarHBondContact O-SG 2.97Å; L49-V64 HydrophobicContact CB-CG1 3.81Å; L49-V64 HydrophobicContact CB-CG2 4.25Å; L49-V64 HydrophobicContact CD1-CG1 3.57Å; L49-V64 HydrophobicContact CG-CG1 4.39Å; L49-M66 HydrophobicContact CD1-CE 3.69Å; L49-M66 HydrophobicContact CD1-CG 4.02Å; L49-M66 HydrophobicContact CD1-SD 3.79Å; L49-S73 WeakPolarHBondContact CD1-OG 3.05Å
50E85.5Confident81.4Confident59 Ų5953.4 Ų53.428%0.27631%0.306SS..Hα-helixtrans-61.7-44.7175.1-177.7177.9-121.700110.8Y46 L52 C53 S54 F62Y46-E50 HydrophobicContact CD1-CB 4.35Å; Y46-E50 HydrophobicContact CE1-CB 4.06Å; Y46-E50 VanDerWaalsContact CE1-CD 3.45Å; Y46-E50 HydrophobicContact CE1-CG 4.27Å; Y46-E50 WeakPolarHBondContact CE1-OE1 3.47Å; Y46-E50 VanDerWaalsContact O-CB 3.24Å; Y46-E50 WeakPolarHBondContact O-CB 3.37Å; Y46-E50 PolarHBondContact O-N 3.39Å; Y46-E50 PolarHBondContact OH-OE1 3.01Å; E50-L52 VanDerWaalsContact C-N 3.31Å; E50-L52 PolarHBondContact O-N 3.49Å; E50-C53 PolarHBondContact O-N 3.02Å; E50-S54 VanDerWaalsContact O-CB 3.3Å; E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.46Å; E50-S54 PolarHBondContact O-OG 3.1Å; E50-F62 HydrophobicContact CB-CE2 4.43Å; E50-F62 HydrophobicContact CG-CE2 4.01Å; E50-F62 HydrophobicContact CG-CZ 3.94Å
51M87.6Confident82Confident112 Ų11250.8 Ų50.855%0.55229%0.294SS*.Hα-helixtrans-60.8-39.7173.6178.1174.839.700112E47 L49 W97E47-M51 WeakPolarHBondContact O-CB 3.49Å; E47-M51 PolarHBondContact O-N 2.98Å; L49-M51 VanDerWaalsContact C-N 3.35Å; M51-W97 HydrophobicContact CE-CE3 4.19Å; M51-W97 HydrophobicContact CE-CZ3 4.18Å
52L91.2Very high82.4Confident7 Ų748 Ų484%0.03728%0.277CS..Hα-helixtrans-60.9-45.1174.2-171.484.1000111.7K48 L49 E50 F56 L86 W90 W97 L104 F106K48-L52 WeakPolarHBondContact O-CB 3.29Å; K48-L52 PolarHBondContact O-N 3.29Å; K48-L52 VanDerWaalsContact O-N 3.13Å; L49-L52 HydrophobicContact CD2-CD2 4.43Å; L49-L52 VanDerWaalsContact O-CB 3.29Å; L49-L52 WeakPolarHBondContact O-CB 2.98Å; L49-L52 PolarHBondContact O-N 2.93Å; E50-L52 VanDerWaalsContact C-N 3.31Å; E50-L52 PolarHBondContact O-N 3.49Å; L52-F56 VanDerWaalsContact O-CD2 3.26Å; L52-F56 WeakPolarHBondContact O-CD2 3.22Å; L52-F56 WeakPolarHBondContact O-CE2 3.45Å; L52-L86 HydrophobicContact CD2-CD1 3.82Å; L52-L86 HydrophobicContact CG-CD1 3.79Å; L52-W90 HydrophobicContact CD1-CD2 3.42Å; L52-W90 VanDerWaalsContact CD1-CD2 3.42Å; L52-W90 HydrophobicContact CD1-CE3 3.95Å; L52-W90 HydrophobicContact CD1-CG 3.78Å; L52-W90 HydrophobicContact CD1-CH2 4.02Å; L52-W90 HydrophobicContact CD1-CZ2 3.51Å; L52-W90 HydrophobicContact CD1-CZ3 4.23Å; L52-W90 HydrophobicContact CG-CG 4.44Å; L52-W97 HydrophobicContact CB-CH2 4.28Å; L52-W97 HydrophobicContact CB-CZ2 4.09Å; L52-W97 HydrophobicContact CD1-CH2 3.71Å; L52-W97 HydrophobicContact CD1-CZ2 3.75Å; L52-W97 HydrophobicContact CG-CZ2 4.46Å; L52-L104 HydrophobicContact CD2-CD1 4Å; L52-F106 HydrophobicContact CD2-CZ 4.12Å
53C91Very high82Confident0 Ų052.5 Ų52.50%030%0.299CS..Hα-helixtrans-72-36.8-179.1-62.30000112.6L49 E50 G55 F56 A57 F62 I75 F77L49-C53 PolarHBondContact O-N 3.18Å; L49-C53 PolarHBondContact O-SG 2.97Å; E50-C53 PolarHBondContact O-N 3.02Å; C53-G55 PolarHBondContact O-N 3.32Å; C53-G55 VanDerWaalsContact O-N 3.1Å; C53-F56 PolarHBondContact O-N 3.42Å; C53-A57 PolarHBondContact O-N 2.95Å; C53-F62 HydrophobicContact CB-CD1 3.84Å; C53-F62 HydrophobicContact CB-CD2 3.66Å; C53-F62 HydrophobicContact CB-CE1 3.55Å; C53-F62 HydrophobicContact CB-CE2 3.41Å; C53-F62 VanDerWaalsContact CB-CE2 3.41Å; C53-F62 HydrophobicContact CB-CG 3.88Å; C53-F62 HydrophobicContact CB-CZ 3.35Å; C53-I75 VanDerWaalsContact SG-CD1 3.53Å; C53-F77 HydrophobicContact CB-CE1 4.35Å; C53-F77 HydrophobicContact CB-CZ 4.1Å
54S88.6Confident82.2Confident51 Ų5151.9 Ų51.936%0.35729%0.291SS..Hα-helixtrans-61-19.3178.6-620000113.1E50 F56 A57E50-S54 VanDerWaalsContact O-CB 3.3Å; E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.46Å; E50-S54 PolarHBondContact O-OG 3.1Å; S54-F56 PolarHBondContact O-N 3.42Å; S54-A57 WeakPolarHBondContact CA-O 3.39Å
55G90.5Very high82.2Confident63 Ų6353 Ų5365%0.64930%0.299SS*.THydrogen-bonded Turntrans-73-9.7170.800000115C53C53-G55 PolarHBondContact O-N 3.32Å; C53-G55 VanDerWaalsContact O-N 3.1Å
56F91.4Very high82.1Confident56 Ų5652.8 Ų52.825%0.24630%0.297CS..THydrogen-bonded Turntrans-126-29.5-175.8-58.7-83.8000113.8L52 C53 S54 K85 L86 A89 W90L52-F56 VanDerWaalsContact O-CD2 3.26Å; L52-F56 WeakPolarHBondContact O-CD2 3.22Å; L52-F56 WeakPolarHBondContact O-CE2 3.45Å; C53-F56 PolarHBondContact O-N 3.42Å; S54-F56 PolarHBondContact O-N 3.42Å; F56-K85 HydrophobicContact CD1-CB 3.71Å; F56-K85 HydrophobicContact CE1-CB 4.37Å; F56-K85 HydrophobicContact CG-CB 4.47Å; F56-L86 HydrophobicContact CD2-CB 4.12Å; F56-L86 HydrophobicContact CD2-CD1 3.5Å; F56-L86 VanDerWaalsContact CD2-CD1 3.5Å; F56-L86 HydrophobicContact CD2-CG 4.4Å; F56-L86 HydrophobicContact CE2-CB 4.48Å; F56-L86 HydrophobicContact CE2-CD1 3.38Å; F56-L86 HydrophobicContact CG-CB 4.3Å; F56-L86 HydrophobicContact CG-CD1 4.46Å; F56-L86 HydrophobicContact CZ-CD1 4.26Å; F56-A89 HydrophobicContact CE1-CB 3.5Å; F56-A89 VanDerWaalsContact CE1-CB 3.5Å; F56-A89 HydrophobicContact CE2-CB 4.45Å; F56-A89 HydrophobicContact CZ-CB 3.3Å; F56-W90 AromaticContact CE2-CD1 3.65Å; F56-W90 AromaticContact CE2-NE1 3.65Å; F56-W90 AromaticContact CZ-CD1 3.66Å; F56-W90 AromaticContact CZ-NE1 3.72Å
57A88.2Confident81.6Confident13 Ų1353.2 Ų53.211%0.10730%0.298CS..SBendtrans-143.4159.3-177.800000110.9C53 S54 S61 F62 F77 D82C53-A57 PolarHBondContact O-N 2.95Å; S54-A57 WeakPolarHBondContact CA-O 3.39Å; A57-S61 WeakPolarHBondContact CB-OG 3.41Å; A57-F62 HydrophobicContact CB-CD1 4.07Å; A57-F77 HydrophobicContact CB-CD1 3.83Å; A57-F77 HydrophobicContact CB-CE1 3.77Å; A57-D82 HydrophobicContact CB-CB 3.96Å
58H84.9Confident80.6Confident138 Ų13850 Ų5064%0.63928%0.282SS*.  trans-65.8144.6176.5-172-93.1000110.2A60 S61 F62H58-A60 PolarHBondContact ND1-N 3.29Å; H58-A60 PolarHBondContact O-N 3.23Å; H58-S61 PolarHBondContact N-OG 3.43Å; H58-S61 PolarHBondContact O-N 2.86Å; H58-S61 PolarHBondContact O-OG 3.33Å; H58-F62 WeakPolarHBondContact O-CD1 3.46Å; H58-F62 WeakPolarHBondContact O-CE1 3.27Å
59P73.8Confident79.3Confident65 Ų6550.9 Ų50.942%0.42229%0.29SS..G310 helixtrans-54-27.6-178.5-29.635.9000115.3S61P59-S61 VanDerWaalsContact C-N 3.31Å
60A67.7Low79Confident82 Ų8253.2 Ų53.268%0.67830%0.3SS*.G310 helixtrans-80.6-4.9175.900000114.8H58H58-A60 PolarHBondContact ND1-N 3.29Å; H58-A60 PolarHBondContact O-N 3.23Å
61S81.2Confident79Confident20 Ų2051.8 Ų51.814%0.1430%0.296CS..G310 helixtrans-110.414.7-173.362.30000114.1A57 H58 P59 F77 D78A57-S61 WeakPolarHBondContact CB-OG 3.41Å; H58-S61 PolarHBondContact N-OG 3.43Å; H58-S61 PolarHBondContact O-N 2.86Å; H58-S61 PolarHBondContact O-OG 3.33Å; P59-S61 VanDerWaalsContact C-N 3.31Å; S61-F77 CarbonylContact O-C 3.53Å; S61-F77 WeakPolarHBondContact O-CA 3.41Å; S61-D78 VanDerWaalsContact CA-OD2 3.29Å; S61-D78 WeakPolarHBondContact CA-OD2 3.44Å; S61-D78 WeakPolarHBondContact CB-OD2 3.38Å; S61-D78 PolarHBondContact O-N 3.37Å
62F84.4Confident79.2Confident8 Ų846.6 Ų46.64%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-150.6161.1169.564.2-94.4000111.1E50 C53 A57 H58 V64 I75 S76 F77E50-F62 HydrophobicContact CB-CE2 4.43Å; E50-F62 HydrophobicContact CG-CE2 4.01Å; E50-F62 HydrophobicContact CG-CZ 3.94Å; C53-F62 HydrophobicContact CB-CD1 3.84Å; C53-F62 HydrophobicContact CB-CD2 3.66Å; C53-F62 HydrophobicContact CB-CE1 3.55Å; C53-F62 HydrophobicContact CB-CE2 3.41Å; C53-F62 VanDerWaalsContact CB-CE2 3.41Å; C53-F62 HydrophobicContact CB-CG 3.88Å; C53-F62 HydrophobicContact CB-CZ 3.35Å; A57-F62 HydrophobicContact CB-CD1 4.07Å; H58-F62 WeakPolarHBondContact O-CD1 3.46Å; H58-F62 WeakPolarHBondContact O-CE1 3.27Å; F62-V64 HydrophobicContact CD2-CG2 3.97Å; F62-V64 HydrophobicContact CE2-CG2 3.95Å; F62-I75 HydrophobicContact CB-CG2 4.29Å; F62-I75 HydrophobicContact CD2-CG2 4.43Å; F62-S76 CarbonylContact C-O 3.58Å; F62-S76 WeakPolarHBondContact CA-O 3.43Å; F62-S76 WeakPolarHBondContact CB-O 3.49Å; F62-F77 HydrophobicContact CB-CD1 3.58Å; F62-F77 HydrophobicContact CB-CE1 3.73Å; F62-F77 HydrophobicContact CB-CG 4.03Å; F62-F77 HydrophobicContact CB-CZ 4.3Å; F62-F77 HydrophobicContact CD1-CD1 4.47Å; F62-F77 HydrophobicContact CD1-CE1 4.07Å; F62-F77 HydrophobicContact CG-CD1 4.36Å; F62-F77 HydrophobicContact CG-CE1 4.06Å
63I72.8Confident79.1Confident104 Ų10446.3 Ų46.353%0.53327%0.269SS..EExtended strand (participates in β ladder)trans-129.5125.7175.3-60.4174.4000107.4I75 S76I63-I75 CarbonylContact O-C 3.52Å; I63-I75 VanDerWaalsContact O-CA 3.32Å; I63-I75 WeakPolarHBondContact O-CA 3.4Å; I63-S76 PolarHBondContact N-O 3.45Å; I63-S76 PolarHBondContact O-N 3.25Å
64V78.3Confident79.1Confident8 Ų846.4 Ų46.45%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-94.6119.1172.2-177.20000108.9Y46 L49 F62 M66 I75Y46-V64 HydrophobicContact CD2-CB 4.03Å; Y46-V64 HydrophobicContact CD2-CG1 4.35Å; Y46-V64 HydrophobicContact CE2-CB 3.79Å; L49-V64 HydrophobicContact CB-CG1 3.81Å; L49-V64 HydrophobicContact CB-CG2 4.25Å; L49-V64 HydrophobicContact CD1-CG1 3.57Å; L49-V64 HydrophobicContact CG-CG1 4.39Å; F62-V64 HydrophobicContact CD2-CG2 3.97Å; F62-V64 HydrophobicContact CE2-CG2 3.95Å; V64-M66 HydrophobicContact CG1-CG 3.83Å; V64-I75 HydrophobicContact CG2-CG1 4.36Å; V64-I75 HydrophobicContact CG2-CG2 4.44Å
65S76.5Confident79.2Confident28 Ų2844 Ų4420%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-106.2102.4176.3-53.30000109.7S73 F74S65-S73 WeakPolarHBondContact O-CA 3.35Å; S65-S73 WeakPolarHBondContact O-CB 3.19Å; S65-F74 PolarHBondContact N-O 2.94Å; S65-F74 PolarHBondContact O-N 2.74Å
66M73.9Confident79.1Confident44 Ų4442.2 Ų42.222%0.21723%0.23CC..EExtended strand (participates in β ladder)trans-99137.2176.3-56.9-166.377.100110.5G38 I40 A44 Y46 L49 V64G38-M66 WeakPolarHBondContact O-CE 3.48Å; I40-M66 HydrophobicContact CG1-CE 3.89Å; A44-M66 HydrophobicContact CB-CE 4.14Å; A44-M66 VanDerWaalsContact O-CE 3.25Å; A44-M66 WeakPolarHBondContact O-CE 3.47Å; Y46-M66 VanDerWaalsContact CA-SD 3.58Å; Y46-M66 PolarHBondContact N-SD 2.92Å; L49-M66 HydrophobicContact CD1-CE 3.69Å; L49-M66 HydrophobicContact CD1-CG 4.02Å; L49-M66 HydrophobicContact CD1-SD 3.79Å; V64-M66 HydrophobicContact CG1-CG 3.83Å
67Y63.1Low79.1Confident78 Ų7839.5 Ų39.531%0.30622%0.218SC..  trans-107.2130.1177.8-66.3-101.7000108.4N69 K70 Y72 F74Y67-N69 PolarHBondContact O-N 3.37Å; Y67-K70 PolarHBondContact O-N 3.33Å; Y67-Y72 HydrophobicContact CD2-CE2 4.48Å; Y67-F74 AromaticContact CD2-CD2 4Å; Y67-F74 HydrophobicContact CD2-CD2 4Å; Y67-F74 HydrophobicContact CD2-CE2 4.18Å; Y67-F74 AromaticContact CE2-CD2 3.43Å; Y67-F74 HydrophobicContact CE2-CD2 3.43Å; Y67-F74 VanDerWaalsContact CE2-CD2 3.43Å; Y67-F74 AromaticContact CE2-CE2 3.73Å; Y67-F74 HydrophobicContact CE2-CE2 3.73Å
68F50.4Low79Confident63 Ų6344.5 Ų44.528%0.27624%0.243SC..THydrogen-bonded Turntrans-63.9139.2-177.5-166.5-89.1000111I40 K70 E190 S242 S243I40-F68 HydrophobicContact CD1-CD2 3.98Å; F68-K70 PolarHBondContact O-N 2.85Å; F68-E190 WeakPolarHBondContact CE1-OE1 3.25Å; F68-S242 WeakPolarHBondContact CB-O 3.44Å; F68-S242 VanDerWaalsContact CD1-C 3.41Å; F68-S242 WeakPolarHBondContact CD1-O 3.15Å; F68-S242 WeakPolarHBondContact CD2-OG 3.09Å; F68-S242 WeakPolarHBondContact CE2-OG 3.3Å; F68-S242 WeakPolarHBondContact CG-O 3.32Å; F68-S243 VanDerWaalsContact CE1-CA 3.47Å
69N58.9Low79.3Confident70 Ų7045 Ų4537%0.37424%0.239SC..THydrogen-bonded Turntrans52.523.7-175-152.67.7000115.5V41 Y67 P244V41-N69 HydrophobicContact CG2-CB 4.3Å; V41-N69 WeakPolarHBondContact CG2-O 3.41Å; V41-N69 WeakPolarHBondContact CG2-OD1 3.46Å; Y67-N69 PolarHBondContact O-N 3.37Å; N69-P244 HydrophobicContact CB-CB 4.09Å; N69-P244 HydrophobicContact CB-CG 3.45Å; N69-P244 VanDerWaalsContact CB-CG 3.45Å; N69-P244 WeakPolarHBondContact ND2-CG 2.95Å
70K78.5Confident80.3Confident48 Ų4845 Ų4521%0.20924%0.235CC..  trans-98.3143.7168.6-61.8-55.2-173.3-179.70109.9H19 G39 I40 Y67 F68 Y72H19-K70 PolarHBondContact CD2-NZ 3.26Å; G39-K70 CarbonylContact C-O 3.59Å; G39-K70 VanDerWaalsContact CA-O 3.25Å; G39-K70 WeakPolarHBondContact CA-O 3.45Å; I40-K70 PolarHBondContact N-O 3.11Å; Y67-K70 PolarHBondContact O-N 3.33Å; F68-K70 PolarHBondContact O-N 2.85Å; K70-Y72 HydrophobicContact CB-CD1 4.06Å; K70-Y72 HydrophobicContact CB-CD2 4.3Å; K70-Y72 HydrophobicContact CB-CE1 3.83Å; K70-Y72 HydrophobicContact CB-CE2 4.07Å; K70-Y72 HydrophobicContact CB-CG 4.28Å; K70-Y72 HydrophobicContact CD-CE1 4.05Å; K70-Y72 HydrophobicContact CG-CE1 4.12Å; K70-Y72 HydrophobicContact CG-CE2 4.23Å; K70-Y72 PolarHBondContact O-N 3.24Å; K70-Y72 VanDerWaalsContact O-N 3.17Å
71P87.1Confident81.6Confident30 Ų3045 Ų4520%0.19522%0.221CC..SBendtrans-81.422.1173.235.3-35.6000111.6L15 N37L15-P71 HydrophobicContact CD2-CG 3.68Å; N37-P71 CarbonylContact C-O 3.56Å; N37-P71 WeakPolarHBondContact CA-O 3.29Å; N37-P71 PolarHBondContact N-O 3.39Å
72Y91.5Very high82.3Confident3 Ų344.7 Ų44.71%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-148.9164.9-17959.9-99.6000111.3L16 H19 Y34 V35 G39 Y67 K70 F74L16-Y72 HydrophobicContact CD1-CD2 4.24Å; L16-Y72 HydrophobicContact CD1-CE1 4.13Å; L16-Y72 HydrophobicContact CD1-CE2 3.73Å; H19-Y72 HydrophobicContact CB-CE1 4.29Å; H19-Y72 VanDerWaalsContact CB-OH 3.25Å; H19-Y72 WeakPolarHBondContact CB-OH 3.08Å; H19-Y72 AromaticContact ND1-CE1 3.66Å; Y34-Y72 HydrophobicContact CD2-CD2 4.3Å; Y34-Y72 HydrophobicContact CD2-CG 4.35Å; Y34-Y72 HydrophobicContact CE2-CD1 4.09Å; Y34-Y72 AromaticContact CE2-CD2 3.85Å; Y34-Y72 HydrophobicContact CE2-CD2 3.85Å; Y34-Y72 AromaticContact CE2-CG 3.5Å; Y34-Y72 HydrophobicContact CE2-CG 3.5Å; Y34-Y72 VanDerWaalsContact CE2-CG 3.5Å; V35-Y72 WeakPolarHBondContact O-CA 3.39Å; V35-Y72 WeakPolarHBondContact O-CB 3.47Å; G39-Y72 WeakPolarHBondContact CA-O 3.45Å; Y67-Y72 HydrophobicContact CD2-CE2 4.48Å; K70-Y72 HydrophobicContact CB-CD1 4.06Å; K70-Y72 HydrophobicContact CB-CD2 4.3Å; K70-Y72 HydrophobicContact CB-CE1 3.83Å; K70-Y72 HydrophobicContact CB-CE2 4.07Å; K70-Y72 HydrophobicContact CB-CG 4.28Å; K70-Y72 HydrophobicContact CD-CE1 4.05Å; K70-Y72 HydrophobicContact CG-CE1 4.12Å; K70-Y72 HydrophobicContact CG-CE2 4.23Å; K70-Y72 PolarHBondContact O-N 3.24Å; K70-Y72 VanDerWaalsContact O-N 3.17Å; Y72-F74 HydrophobicContact CD2-CD2 4.44Å; Y72-F74 AromaticContact CD2-CE2 3.86Å; Y72-F74 HydrophobicContact CD2-CE2 3.86Å; Y72-F74 HydrophobicContact CD2-CZ 4.42Å; Y72-F74 AromaticContact CE2-CE2 3.72Å; Y72-F74 HydrophobicContact CE2-CE2 3.72Å; Y72-F74 HydrophobicContact CE2-CZ 4.3Å
73S89.2Confident82.8Confident0 Ų044.3 Ų44.30%022%0.216CC..EExtended strand (participates in β ladder)trans-139.7175.3170.952.40000109.6V35 G38 L49 S65V35-S73 PolarHBondContact N-O 2.79Å; V35-S73 PolarHBondContact O-N 2.86Å; V35-S73 VanDerWaalsContact O-N 3.13Å; G38-S73 WeakPolarHBondContact O-CB 3.02Å; G38-S73 PolarHBondContact O-OG 3.08Å; L49-S73 WeakPolarHBondContact CD1-OG 3.05Å; S65-S73 WeakPolarHBondContact O-CA 3.35Å; S65-S73 WeakPolarHBondContact O-CB 3.19Å
74F91Very high83.9Confident2 Ų242.9 Ų42.91%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-123.7152.5170.3-61.8-96.9000110.8L16 V23 L33 Y34 S65 Y67 Y72 V109 F114L16-F74 HydrophobicContact CD1-CE2 4.44Å; L16-F74 HydrophobicContact CD1-CZ 3.77Å; L16-F74 HydrophobicContact CD2-CZ 4.36Å; V23-F74 HydrophobicContact CG1-CE1 3.71Å; V23-F74 HydrophobicContact CG1-CZ 3.88Å; V23-F74 HydrophobicContact CG2-CZ 4.12Å; L33-F74 CarbonylContact O-C 3.59Å; L33-F74 WeakPolarHBondContact O-CA 3.28Å; Y34-F74 HydrophobicContact CD2-CD1 4.5Å; Y34-F74 AromaticContact CD2-CE1 3.93Å; Y34-F74 HydrophobicContact CD2-CE1 3.93Å; Y34-F74 HydrophobicContact CD2-CZ 4.09Å; Y34-F74 HydrophobicContact CG-CE1 4.43Å; S65-F74 PolarHBondContact N-O 2.94Å; S65-F74 PolarHBondContact O-N 2.74Å; Y67-F74 AromaticContact CD2-CD2 4Å; Y67-F74 HydrophobicContact CD2-CD2 4Å; Y67-F74 HydrophobicContact CD2-CE2 4.18Å; Y67-F74 AromaticContact CE2-CD2 3.43Å; Y67-F74 HydrophobicContact CE2-CD2 3.43Å; Y67-F74 VanDerWaalsContact CE2-CD2 3.43Å; Y67-F74 AromaticContact CE2-CE2 3.73Å; Y67-F74 HydrophobicContact CE2-CE2 3.73Å; Y72-F74 HydrophobicContact CD2-CD2 4.44Å; Y72-F74 AromaticContact CD2-CE2 3.86Å; Y72-F74 HydrophobicContact CD2-CE2 3.86Å; Y72-F74 HydrophobicContact CD2-CZ 4.42Å; Y72-F74 AromaticContact CE2-CE2 3.72Å; Y72-F74 HydrophobicContact CE2-CE2 3.72Å; Y72-F74 HydrophobicContact CE2-CZ 4.3Å; F74-V109 HydrophobicContact CD1-CG2 3.89Å; F74-V109 HydrophobicContact CE1-CG2 3.77Å; F74-F114 HydrophobicContact CB-CE2 3.56Å; F74-F114 HydrophobicContact CB-CZ 4.13Å; F74-F114 HydrophobicContact CD1-CD2 4.45Å; F74-F114 HydrophobicContact CD1-CE2 4.02Å; F74-F114 HydrophobicContact CD2-CE2 4.35Å; F74-F114 AromaticContact CG-CE2 3.74Å; F74-F114 HydrophobicContact CG-CE2 3.74Å
75I90.4Very high84.7Confident0 Ų047.4 Ų47.40%023%0.226CC..EExtended strand (participates in β ladder)trans-132.3120174.8-51.9162000107.9I32 L33 V35 C53 F62 I63 V64 F77 L86 F106I32-I75 CarbonylContact C-O 3.59Å; I32-I75 WeakPolarHBondContact CA-O 3.49Å; L33-I75 PolarHBondContact N-O 3.42Å; L33-I75 PolarHBondContact O-N 3.4Å; V35-I75 HydrophobicContact CG2-CD1 3.54Å; V35-I75 HydrophobicContact CG2-CG1 3.89Å; C53-I75 VanDerWaalsContact SG-CD1 3.53Å; F62-I75 HydrophobicContact CB-CG2 4.29Å; F62-I75 HydrophobicContact CD2-CG2 4.43Å; I63-I75 CarbonylContact O-C 3.52Å; I63-I75 VanDerWaalsContact O-CA 3.32Å; I63-I75 WeakPolarHBondContact O-CA 3.4Å; V64-I75 HydrophobicContact CG2-CG1 4.36Å; V64-I75 HydrophobicContact CG2-CG2 4.44Å; I75-F77 HydrophobicContact CB-CE2 4.02Å; I75-F77 HydrophobicContact CG2-CD2 3.83Å; I75-F77 HydrophobicContact CG2-CE2 3.27Å; I75-F77 HydrophobicContact CG2-CZ 3.72Å; I75-L86 HydrophobicContact CD1-CD2 3.6Å; I75-F106 HydrophobicContact CD1-CE1 4.45Å
76S88.8Confident85.6Confident26 Ų2646.1 Ų46.118%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-101.7118.2173.2-178.90000109F62 I63F62-S76 CarbonylContact C-O 3.58Å; F62-S76 WeakPolarHBondContact CA-O 3.43Å; F62-S76 WeakPolarHBondContact CB-O 3.49Å; I63-S76 PolarHBondContact N-O 3.45Å; I63-S76 PolarHBondContact O-N 3.25Å
77F90.9Very high86.7Confident0 Ų046.1 Ų46.10%022%0.216CC..EExtended strand (participates in β ladder)trans-93.5159.2172.4-71.7-93.3000110.6N31 L33 C53 A57 S61 F62 I75 R79 D82 A83 L86N31-F77 VanDerWaalsContact CB-O 3.28Å; N31-F77 WeakPolarHBondContact CB-O 3.42Å; N31-F77 PolarHBondContact ND2-O 2.99Å; N31-F77 PolarHBondContact O-N 2.81Å; L33-F77 HydrophobicContact CD1-CE2 4.05Å; C53-F77 HydrophobicContact CB-CE1 4.35Å; C53-F77 HydrophobicContact CB-CZ 4.1Å; A57-F77 HydrophobicContact CB-CD1 3.83Å; A57-F77 HydrophobicContact CB-CE1 3.77Å; S61-F77 CarbonylContact O-C 3.53Å; S61-F77 WeakPolarHBondContact O-CA 3.41Å; F62-F77 HydrophobicContact CB-CD1 3.58Å; F62-F77 HydrophobicContact CB-CE1 3.73Å; F62-F77 HydrophobicContact CB-CG 4.03Å; F62-F77 HydrophobicContact CB-CZ 4.3Å; F62-F77 HydrophobicContact CD1-CD1 4.47Å; F62-F77 HydrophobicContact CD1-CE1 4.07Å; F62-F77 HydrophobicContact CG-CD1 4.36Å; F62-F77 HydrophobicContact CG-CE1 4.06Å; I75-F77 HydrophobicContact CB-CE2 4.02Å; I75-F77 HydrophobicContact CG2-CD2 3.83Å; I75-F77 HydrophobicContact CG2-CE2 3.27Å; I75-F77 HydrophobicContact CG2-CZ 3.72Å; F77-R79 VanDerWaalsContact C-N 3.3Å; F77-R79 WeakPolarHBondContact CB-O 3.48Å; F77-D82 HydrophobicContact CB-CB 4.47Å; F77-D82 HydrophobicContact CD1-CB 3.56Å; F77-D82 HydrophobicContact CE1-CB 4.05Å; F77-D82 HydrophobicContact CG-CB 4.13Å; F77-A83 HydrophobicContact CB-CB 4.49Å; F77-A83 HydrophobicContact CD2-CB 3.76Å; F77-A83 HydrophobicContact CE2-CB 4.4Å; F77-A83 HydrophobicContact CG-CB 4.33Å; F77-L86 HydrophobicContact CE2-CD2 3.87Å; F77-L86 HydrophobicContact CZ-CB 4.32Å; F77-L86 HydrophobicContact CZ-CD2 3.72Å
78D86.5Confident88.2Confident118 Ų11847.2 Ų47.263%0.63124%0.235SC*.SBendtrans-69.9-33.5167.2-70.3-7.1000111.1S61S61-D78 VanDerWaalsContact CA-OD2 3.29Å; S61-D78 WeakPolarHBondContact CA-OD2 3.44Å; S61-D78 WeakPolarHBondContact CB-OD2 3.38Å; S61-D78 PolarHBondContact O-N 3.37Å
79R90.5Very high90.3Very high148 Ų14845.3 Ų45.356%0.55823%0.231SC*.SBendtrans-117.8132.6-174.9-58.3-178.668.1158.34.6111.7F77 E81 D82F77-R79 VanDerWaalsContact C-N 3.3Å; F77-R79 WeakPolarHBondContact CB-O 3.48Å; R79-E81 IonicContact CZ-OE2 3.38Å; R79-E81 IonicContact NE-OE2 3.32Å; R79-E81 PolarHBondContact NE-OE2 3.23Å; R79-E81 IonicContact NH2-OE2 2.65Å; R79-E81 PolarHBondContact NH2-OE2 3.27Å; R79-E81 PolarHBondContact O-N 3.15Å; R79-D82 PolarHBondContact O-N 3.01Å
80I94.6Very high91.9Very high65 Ų6544.8 Ų44.833%0.33322%0.224SC..Hα-helixtrans-58.8-36.1175-60.5175.9000110.7P29 N31 D82 A83 Q84P29-I80 HydrophobicContact CB-CG2 3.77Å; N31-I80 HydrophobicContact CB-CG1 4.07Å; I80-D82 VanDerWaalsContact C-N 3.26Å; I80-D82 PolarHBondContact O-N 3Å; I80-A83 PolarHBondContact O-N 2.8Å; I80-Q84 HydrophobicContact CG2-CG 4.26Å; I80-Q84 WeakPolarHBondContact O-CG 3.2Å; I80-Q84 PolarHBondContact O-N 2.96Å
81E95Very high92.7Very high82 Ų8244 Ų4438%0.38322%0.22SC..Hα-helixtrans-57.8-37.2179.3-61.984.9-124.700112.9R79 Q84 K85R79-E81 IonicContact CZ-OE2 3.38Å; R79-E81 IonicContact NE-OE2 3.32Å; R79-E81 PolarHBondContact NE-OE2 3.23Å; R79-E81 IonicContact NH2-OE2 2.65Å; R79-E81 PolarHBondContact NH2-OE2 3.27Å; R79-E81 PolarHBondContact O-N 3.15Å; E81-Q84 PolarHBondContact O-N 3.49Å; E81-K85 VanDerWaalsContact O-CG 3.27Å; E81-K85 WeakPolarHBondContact O-CG 3.5Å; E81-K85 PolarHBondContact O-N 2.92Å
82D95.4Very high93Very high13 Ų1344 Ų447%0.0723%0.227CC..Hα-helixtrans-76.8-38.1-176.1-62.5-32.1000111.3A57 F77 R79 I80 Q84 K85 L86A57-D82 HydrophobicContact CB-CB 3.96Å; F77-D82 HydrophobicContact CB-CB 4.47Å; F77-D82 HydrophobicContact CD1-CB 3.56Å; F77-D82 HydrophobicContact CE1-CB 4.05Å; F77-D82 HydrophobicContact CG-CB 4.13Å; R79-D82 PolarHBondContact O-N 3.01Å; I80-D82 VanDerWaalsContact C-N 3.26Å; I80-D82 PolarHBondContact O-N 3Å; D82-Q84 VanDerWaalsContact C-N 3.32Å; D82-Q84 PolarHBondContact O-N 3.29Å; D82-K85 PolarHBondContact O-N 2.94Å; D82-K85 IonicContact OD1-NZ 3.36Å; D82-K85 PolarHBondContact OD1-NZ 3.02Å; D82-L86 PolarHBondContact O-N 2.81Å
83A95Very high93Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-58-43.9167.300000111.6T30 L33 F77 I80 K87 F108T30-A83 WeakPolarHBondContact O-CB 3.36Å; L33-A83 HydrophobicContact CD1-CB 4.02Å; L33-A83 WeakPolarHBondContact CD1-O 3.44Å; L33-A83 HydrophobicContact CD2-CB 4.38Å; L33-A83 HydrophobicContact CG-CB 3.93Å; F77-A83 HydrophobicContact CB-CB 4.49Å; F77-A83 HydrophobicContact CD2-CB 3.76Å; F77-A83 HydrophobicContact CE2-CB 4.4Å; F77-A83 HydrophobicContact CG-CB 4.33Å; I80-A83 PolarHBondContact O-N 2.8Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 2.75Å; A83-F108 HydrophobicContact CB-CE1 4.31Å
84Q96.3Very high93Very high74 Ų7456.1 Ų56.135%0.34628%0.275SS..Hα-helixtrans-63.5-43176.5-72.6178.6-6500112.8P29 I80 E81 D82 S88 F108P29-Q84 HydrophobicContact CB-CG 3.81Å; P29-Q84 HydrophobicContact CG-CG 4.35Å; I80-Q84 HydrophobicContact CG2-CG 4.26Å; I80-Q84 WeakPolarHBondContact O-CG 3.2Å; I80-Q84 PolarHBondContact O-N 2.96Å; E81-Q84 PolarHBondContact O-N 3.49Å; D82-Q84 VanDerWaalsContact C-N 3.32Å; D82-Q84 PolarHBondContact O-N 3.29Å; Q84-S88 VanDerWaalsContact O-CB 3.29Å; Q84-S88 WeakPolarHBondContact O-CB 3.2Å; Q84-S88 PolarHBondContact O-N 2.87Å; Q84-S88 PolarHBondContact O-OG 2.86Å; Q84-F108 HydrophobicContact CG-CE1 4.26Å; Q84-F108 HydrophobicContact CG-CZ 3.87Å
85K96Very high92.7Very high104 Ų10456.3 Ų56.345%0.45228%0.277SS..Hα-helixtrans-62.7-48.4177-71169-163.5158.60111.3F56 E81 D82 K87 S88 A89F56-K85 HydrophobicContact CD1-CB 3.71Å; F56-K85 HydrophobicContact CE1-CB 4.37Å; F56-K85 HydrophobicContact CG-CB 4.47Å; E81-K85 VanDerWaalsContact O-CG 3.27Å; E81-K85 WeakPolarHBondContact O-CG 3.5Å; E81-K85 PolarHBondContact O-N 2.92Å; D82-K85 PolarHBondContact O-N 2.94Å; D82-K85 IonicContact OD1-NZ 3.36Å; D82-K85 PolarHBondContact OD1-NZ 3.02Å; K85-K87 PolarHBondContact O-N 3.01Å; K85-S88 PolarHBondContact O-N 2.99Å; K85-A89 WeakPolarHBondContact O-CB 3.34Å; K85-A89 PolarHBondContact O-N 2.85Å
86L95.6Very high92.2Very high0 Ų062.9 Ų62.90%032%0.317CS..Hα-helixtrans-59.7-49.9179.5178.266.2000111L33 L52 F56 I75 F77 D82 S88 A89 W90 F106L33-L86 HydrophobicContact CD1-CB 4.28Å; L33-L86 HydrophobicContact CD1-CD2 3.94Å; L33-L86 HydrophobicContact CD1-CG 4.34Å; L52-L86 HydrophobicContact CD2-CD1 3.82Å; L52-L86 HydrophobicContact CG-CD1 3.79Å; F56-L86 HydrophobicContact CD2-CB 4.12Å; F56-L86 HydrophobicContact CD2-CD1 3.5Å; F56-L86 VanDerWaalsContact CD2-CD1 3.5Å; F56-L86 HydrophobicContact CD2-CG 4.4Å; F56-L86 HydrophobicContact CE2-CB 4.48Å; F56-L86 HydrophobicContact CE2-CD1 3.38Å; F56-L86 HydrophobicContact CG-CB 4.3Å; F56-L86 HydrophobicContact CG-CD1 4.46Å; F56-L86 HydrophobicContact CZ-CD1 4.26Å; I75-L86 HydrophobicContact CD1-CD2 3.6Å; F77-L86 HydrophobicContact CE2-CD2 3.87Å; F77-L86 HydrophobicContact CZ-CB 4.32Å; F77-L86 HydrophobicContact CZ-CD2 3.72Å; D82-L86 PolarHBondContact O-N 2.81Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.3Å; L86-A89 PolarHBondContact O-N 3.39Å; L86-W90 HydrophobicContact CD1-CG 4.44Å; L86-W90 PolarHBondContact O-N 3.05Å; L86-F106 HydrophobicContact CD2-CE1 3.96Å; L86-F106 HydrophobicContact CG-CE1 4.08Å; L86-F106 HydrophobicContact CG-CZ 4.47Å
87K96Very high91.3Very high45 Ų4564 Ų6420%0.19632%0.317CS..Hα-helixtrans-58.5-44.2176.6173.9159.5-178.4-81.40111.6L33 A83 K85 A89 H91 F106 F108L33-K87 HydrophobicContact CD1-CB 4.48Å; L33-K87 HydrophobicContact CD2-CB 4.08Å; L33-K87 HydrophobicContact CD2-CD 4Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 2.75Å; K85-K87 PolarHBondContact O-N 3.01Å; K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 2.81Å; K87-H91 HydrophobicContact CG-CB 4.37Å; K87-H91 WeakPolarHBondContact O-CB 3.39Å; K87-H91 PolarHBondContact O-N 3.07Å; K87-F106 HydrophobicContact CB-CB 4.06Å; K87-F106 HydrophobicContact CD-CB 3.92Å; K87-F106 WeakPolarHBondContact CE-O 3.32Å; K87-F106 HydrophobicContact CG-CB 3.8Å; K87-F108 HydrophobicContact CD-CD2 4.26Å; K87-F108 HydrophobicContact CD-CE1 4.25Å; K87-F108 HydrophobicContact CD-CE2 3.77Å; K87-F108 HydrophobicContact CD-CZ 3.75Å
88S94.3Very high90Very high101 Ų10164.5 Ų64.571%0.70632%0.319SS*.Hα-helixtrans-65.6-36179.8-59.40000112.6Q84 K85 L86Q84-S88 VanDerWaalsContact O-CB 3.29Å; Q84-S88 WeakPolarHBondContact O-CB 3.2Å; Q84-S88 PolarHBondContact O-N 2.87Å; Q84-S88 PolarHBondContact O-OG 2.86Å; K85-S88 PolarHBondContact O-N 2.99Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.3Å
89A94.2Very high88.7Confident23 Ų2367.6 Ų67.619%0.1933%0.33CS..Hα-helixtrans-77.8-37.8-178.900000113.2F56 K85 L86 K87 R93F56-A89 HydrophobicContact CE1-CB 3.5Å; F56-A89 VanDerWaalsContact CE1-CB 3.5Å; F56-A89 HydrophobicContact CE2-CB 4.45Å; F56-A89 HydrophobicContact CZ-CB 3.3Å; K85-A89 WeakPolarHBondContact O-CB 3.34Å; K85-A89 PolarHBondContact O-N 2.85Å; L86-A89 PolarHBondContact O-N 3.39Å; K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 2.81Å; A89-R93 WeakPolarHBondContact O-CD 3.18Å; A89-R93 PolarHBondContact O-NE 2.68Å; A89-R93 PolarHBondContact O-NH1 2.65Å
90W94.1Very high87.4Confident59 Ų5966.7 Ų66.722%0.22333%0.332CS..Hα-helixtrans-115.5-9.6-167.9-76.396.9000115.9L52 F56 L86 G92 R93 P95 W97 F106L52-W90 HydrophobicContact CD1-CD2 3.42Å; L52-W90 VanDerWaalsContact CD1-CD2 3.42Å; L52-W90 HydrophobicContact CD1-CE3 3.95Å; L52-W90 HydrophobicContact CD1-CG 3.78Å; L52-W90 HydrophobicContact CD1-CH2 4.02Å; L52-W90 HydrophobicContact CD1-CZ2 3.51Å; L52-W90 HydrophobicContact CD1-CZ3 4.23Å; L52-W90 HydrophobicContact CG-CG 4.44Å; F56-W90 AromaticContact CE2-CD1 3.65Å; F56-W90 AromaticContact CE2-NE1 3.65Å; F56-W90 AromaticContact CZ-CD1 3.66Å; F56-W90 AromaticContact CZ-NE1 3.72Å; L86-W90 HydrophobicContact CD1-CG 4.44Å; L86-W90 PolarHBondContact O-N 3.05Å; W90-G92 PolarHBondContact O-N 2.77Å; W90-G92 VanDerWaalsContact O-N 3.12Å; W90-R93 HydrophobicContact CE3-CB 3.87Å; W90-R93 HydrophobicContact CZ3-CB 4.41Å; W90-R93 WeakPolarHBondContact O-CB 3.43Å; W90-R93 PolarHBondContact O-N 2.76Å; W90-P95 HydrophobicContact CZ3-CB 4.11Å; W90-W97 HydrophobicContact CH2-CH2 4.44Å; W90-F106 HydrophobicContact CB-CE2 3.62Å; W90-F106 HydrophobicContact CB-CZ 3.89Å
91H94.4Very high86.3Confident30 Ų3068.5 Ų68.514%0.13934%0.343CS..THydrogen-bonded Turntrans-60.9118.4178.7-175.297.9000112.4M1 K87 R93 Y105 F106M1-H91 PolarHBondContact SD-NE2 2.86Å; K87-H91 HydrophobicContact CG-CB 4.37Å; K87-H91 WeakPolarHBondContact O-CB 3.39Å; K87-H91 PolarHBondContact O-N 3.07Å; H91-R93 VanDerWaalsContact C-N 3.29Å; H91-Y105 AromaticContact NE2-CD1 3.93Å; H91-F106 HydrophobicContact CB-CD2 4.07Å; H91-F106 PolarHBondContact CE1-O 2.74Å; H91-F106 PolarHBondContact ND1-N 3.01Å; H91-F106 PolarHBondContact ND1-O 2.82Å
92G92.9Very high85.7Confident32 Ų3266.4 Ų66.433%0.3334%0.335SS..THydrogen-bonded Turntrans795.2-176.600000114.6W90 L104W90-G92 PolarHBondContact O-N 2.77Å; W90-G92 VanDerWaalsContact O-N 3.12Å; G92-L104 WeakPolarHBondContact CA-O 3.37Å; G92-L104 PolarHBondContact N-O 3.14Å
93R91.8Very high85.5Confident151 Ų15166.7 Ų66.757%0.5734%0.338SS*.  trans-95.8158.5177.3-60.9-160.4-174176.93.5111.7A89 W90 H91 P103 L104A89-R93 WeakPolarHBondContact O-CD 3.18Å; A89-R93 PolarHBondContact O-NE 2.68Å; A89-R93 PolarHBondContact O-NH1 2.65Å; W90-R93 HydrophobicContact CE3-CB 3.87Å; W90-R93 HydrophobicContact CZ3-CB 4.41Å; W90-R93 WeakPolarHBondContact O-CB 3.43Å; W90-R93 PolarHBondContact O-N 2.76Å; H91-R93 VanDerWaalsContact C-N 3.29Å; R93-P103 CarbonylContact O-C 3.59Å; R93-P103 WeakPolarHBondContact O-CA 3.13Å; R93-L104 PolarHBondContact O-N 3.29Å
94K89.4Confident85.5Confident106 Ų10666.8 Ų66.846%0.46134%0.338SS..  trans-105.8121.2-178-53.9-168.8-176.2-164.70110N101 P103K94-N101 WeakPolarHBondContact CD-O 3.21Å; K94-N101 WeakPolarHBondContact CD-OD1 3.29Å; K94-N101 WeakPolarHBondContact CE-O 3.45Å; K94-N101 PolarHBondContact NZ-O 3.25Å; K94-N101 PolarHBondContact NZ-OD1 2.8Å; K94-P103 HydrophobicContact CG-CB 3.94Å
95P84.6Confident85.5Confident6 Ų664.1 Ų64.14%0.03933%0.325CS..  trans-72.2150.6170.827.6-30.9000111.3W90 W97 Q98 L104W90-P95 HydrophobicContact CZ3-CB 4.11Å; P95-W97 HydrophobicContact CB-CD2 3.6Å; P95-W97 HydrophobicContact CB-CE3 4.13Å; P95-W97 HydrophobicContact CB-CG 4.07Å; P95-W97 HydrophobicContact CB-CH2 4Å; P95-W97 HydrophobicContact CB-CZ2 3.44Å; P95-W97 VanDerWaalsContact CB-CZ2 3.44Å; P95-W97 HydrophobicContact CB-CZ3 4.3Å; P95-W97 HydrophobicContact CG-CZ2 4.43Å; P95-W97 PolarHBondContact O-N 3.43Å; P95-Q98 HydrophobicContact CG-CB 4.17Å; P95-Q98 HydrophobicContact CG-CG 3.74Å; P95-Q98 PolarHBondContact O-N 3.13Å; P95-L104 HydrophobicContact CG-CD1 4.11Å; P95-L104 HydrophobicContact CG-CG 4.14Å
96T79.8Confident85.5Confident137 Ų13759.2 Ų59.284%0.8430%0.304SS*.THydrogen-bonded Turntrans-67.5-21.6-179.248.40000113.2
97W70.8Confident85.5Confident49 Ų4959.5 Ų59.519%0.18631%0.306CS..THydrogen-bonded Turntrans-90.2-0.3-176.252.177.2000115K48 M51 L52 W90 P95 E99K48-W97 HydrophobicContact CB-CD2 4.29Å; K48-W97 HydrophobicContact CB-CG 4.11Å; K48-W97 HydrophobicContact CD-CB 3.82Å; K48-W97 VanDerWaalsContact CD-CD1 3.47Å; K48-W97 HydrophobicContact CD-CG 3.73Å; K48-W97 HydrophobicContact CG-CB 4Å; K48-W97 HydrophobicContact CG-CD2 4.18Å; K48-W97 HydrophobicContact CG-CG 3.68Å; K48-W97 WeakPolarHBondContact O-CZ2 2.94Å; M51-W97 HydrophobicContact CE-CE3 4.19Å; M51-W97 HydrophobicContact CE-CZ3 4.18Å; L52-W97 HydrophobicContact CB-CH2 4.28Å; L52-W97 HydrophobicContact CB-CZ2 4.09Å; L52-W97 HydrophobicContact CD1-CH2 3.71Å; L52-W97 HydrophobicContact CD1-CZ2 3.75Å; L52-W97 HydrophobicContact CG-CZ2 4.46Å; W90-W97 HydrophobicContact CH2-CH2 4.44Å; P95-W97 HydrophobicContact CB-CD2 3.6Å; P95-W97 HydrophobicContact CB-CE3 4.13Å; P95-W97 HydrophobicContact CB-CG 4.07Å; P95-W97 HydrophobicContact CB-CH2 4Å; P95-W97 HydrophobicContact CB-CZ2 3.44Å; P95-W97 VanDerWaalsContact CB-CZ2 3.44Å; P95-W97 HydrophobicContact CB-CZ3 4.3Å; P95-W97 HydrophobicContact CG-CZ2 4.43Å; P95-W97 PolarHBondContact O-N 3.43Å; W97-E99 PolarHBondContact O-N 3.28Å
98Q63.7Low85.5Confident11 Ų1158.1 Ų58.15%0.05130%0.3CS..  trans-85.5108175.7-88.3-172.3-15.800111.4N37 C42 P95 Q100 N101 V102N37-Q98 PolarHBondContact O-NE2 3.06Å; C42-Q98 WeakPolarHBondContact O-CG 3.4Å; P95-Q98 HydrophobicContact CG-CB 4.17Å; P95-Q98 HydrophobicContact CG-CG 3.74Å; P95-Q98 PolarHBondContact O-N 3.13Å; Q98-Q100 PolarHBondContact O-N 3.19Å; Q98-Q100 VanDerWaalsContact O-N 3.16Å; Q98-N101 PolarHBondContact O-N 2.73Å; Q98-V102 PolarHBondContact OE1-O 3.34Å
99E58.5Low85.4Confident184 Ų18453.3 Ų53.386%0.8627%0.267SS*.THydrogen-bonded Turntrans-55.2-33.2176.9-64.9-177170.500112.7W97 N101W97-E99 PolarHBondContact O-N 3.28Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.83Å
100Q62.7Low85.1Confident129 Ų12956.4 Ų56.460%0.60328%0.277SS*.THydrogen-bonded Turntrans-87.23.3-179.5-67.5-178.16.600114.3Q98 V102Q98-Q100 PolarHBondContact O-N 3.19Å; Q98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-V102 HydrophobicContact CB-CG2 3.8Å; Q100-V102 PolarHBondContact O-N 3.27Å; Q100-V102 VanDerWaalsContact O-N 3.11Å
101N70.8Confident83.7Confident103 Ų10358.3 Ų58.355%0.55129%0.292SS*.  trans52.436.2177.5-162.75.6000113.3K94 Q98 E99K94-N101 WeakPolarHBondContact CD-O 3.21Å; K94-N101 WeakPolarHBondContact CD-OD1 3.29Å; K94-N101 WeakPolarHBondContact CE-O 3.45Å; K94-N101 PolarHBondContact NZ-O 3.25Å; K94-N101 PolarHBondContact NZ-OD1 2.8Å; Q98-N101 PolarHBondContact O-N 2.73Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.83Å
102V83.3Confident82Confident37 Ų3760.8 Ų60.822%0.22433%0.325CS..PPolyproline II helixtrans-87.1152.9177.4-98.90000110.5Q98 Q100Q98-V102 PolarHBondContact OE1-O 3.34Å; Q100-V102 HydrophobicContact CB-CG2 3.8Å; Q100-V102 PolarHBondContact O-N 3.27Å; Q100-V102 VanDerWaalsContact O-N 3.11Å
103P91.6Very high80.2Confident20 Ų2060 Ų6013%0.1332%0.316CS..PPolyproline II helixtrans-92.3146.5171.829.6-31.7000111.7N37 R93 K94 Y105N37-P103 PolarHBondContact ND2-O 2.98Å; R93-P103 CarbonylContact O-C 3.59Å; R93-P103 WeakPolarHBondContact O-CA 3.13Å; K94-P103 HydrophobicContact CG-CB 3.94Å; P103-Y105 HydrophobicContact CB-CE2 4.37Å; P103-Y105 HydrophobicContact CG-CE1 4.45Å; P103-Y105 HydrophobicContact CG-CE2 3.72Å; P103-Y105 WeakPolarHBondContact CG-OH 3.5Å; P103-Y105 WeakPolarHBondContact O-CE2 3.41Å
104L94.3Very high78.3Confident1 Ų154.3 Ų54.31%0.00530%0.296CS..PPolyproline II helixtrans-78.6140.6171.6-61.4178.5000110.5V35 A36 N37 L52 G92 R93 P95 F106V35-L104 HydrophobicContact CG1-CB 4.44Å; V35-L104 HydrophobicContact CG1-CD1 4.47Å; V35-L104 HydrophobicContact CG1-CD2 4.22Å; A36-L104 WeakPolarHBondContact O-CA 3.38Å; N37-L104 VanDerWaalsContact C-CD2 3.49Å; N37-L104 HydrophobicContact CB-CD2 4.26Å; N37-L104 WeakPolarHBondContact O-CD2 3.25Å; L52-L104 HydrophobicContact CD2-CD1 4Å; G92-L104 WeakPolarHBondContact CA-O 3.37Å; G92-L104 PolarHBondContact N-O 3.14Å; R93-L104 PolarHBondContact O-N 3.29Å; P95-L104 HydrophobicContact CG-CD1 4.11Å; P95-L104 HydrophobicContact CG-CG 4.14Å; L104-F106 HydrophobicContact CB-CD2 4.45Å; L104-F106 HydrophobicContact CB-CE2 3.61Å; L104-F106 HydrophobicContact CB-CZ 4.07Å; L104-F106 HydrophobicContact CD1-CE2 4.38Å; L104-F106 HydrophobicContact CD1-CZ 4.07Å
105Y95.8Very high76.1Confident19 Ų1951.8 Ų51.88%0.07529%0.29CS..EExtended strand (participates in β ladder)trans-126.1130.8171.7-52.6-87.8000111A5 R8 V35 A36 H91 P103A5-Y105 HydrophobicContact CB-CD1 4.17Å; A5-Y105 HydrophobicContact CB-CE1 3.77Å; R8-Y105 HydrophobicContact CB-CD1 4.45Å; R8-Y105 HydrophobicContact CB-CD2 4.29Å; R8-Y105 HydrophobicContact CB-CE1 3.87Å; R8-Y105 HydrophobicContact CB-CE2 3.66Å; R8-Y105 WeakPolarHBondContact CB-OH 3.13Å; R8-Y105 HydrophobicContact CG-CE2 4.38Å; R8-Y105 WeakPolarHBondContact CG-OH 3.45Å; V35-Y105 CarbonylContact C-O 3.55Å; A36-Y105 HydrophobicContact CB-CD2 4.47Å; A36-Y105 WeakPolarHBondContact CB-O 3.21Å; A36-Y105 PolarHBondContact N-O 2.89Å; A36-Y105 PolarHBondContact O-N 3.4Å; H91-Y105 AromaticContact NE2-CD1 3.93Å; P103-Y105 HydrophobicContact CB-CE2 4.37Å; P103-Y105 HydrophobicContact CG-CE1 4.45Å; P103-Y105 HydrophobicContact CG-CE2 3.72Å; P103-Y105 WeakPolarHBondContact CG-OH 3.5Å; P103-Y105 WeakPolarHBondContact O-CE2 3.41Å
106F96.2Very high74Confident0 Ų058.2 Ų58.20%032%0.322CS..EExtended strand (participates in β ladder)trans-110.6139.8-174.2-61-102.6000111.9L33 Y34 V35 L52 I75 L86 K87 W90 H91 L104L33-F106 HydrophobicContact CB-CD1 4.43Å; L33-F106 HydrophobicContact CD1-CD1 4.03Å; Y34-F106 CarbonylContact O-C 3.38Å; Y34-F106 WeakPolarHBondContact O-CA 3.35Å; V35-F106 HydrophobicContact CB-CD1 4.35Å; V35-F106 HydrophobicContact CB-CE1 4.21Å; V35-F106 HydrophobicContact CG1-CD1 4.1Å; V35-F106 HydrophobicContact CG1-CE1 3.63Å; V35-F106 HydrophobicContact CG1-CE2 4.47Å; V35-F106 HydrophobicContact CG1-CZ 3.84Å; V35-F106 HydrophobicContact CG2-CD1 3.76Å; V35-F106 HydrophobicContact CG2-CE1 3.64Å; L52-F106 HydrophobicContact CD2-CZ 4.12Å; I75-F106 HydrophobicContact CD1-CE1 4.45Å; L86-F106 HydrophobicContact CD2-CE1 3.96Å; L86-F106 HydrophobicContact CG-CE1 4.08Å; L86-F106 HydrophobicContact CG-CZ 4.47Å; K87-F106 HydrophobicContact CB-CB 4.06Å; K87-F106 HydrophobicContact CD-CB 3.92Å; K87-F106 WeakPolarHBondContact CE-O 3.32Å; K87-F106 HydrophobicContact CG-CB 3.8Å; W90-F106 HydrophobicContact CB-CE2 3.62Å; W90-F106 HydrophobicContact CB-CZ 3.89Å; H91-F106 HydrophobicContact CB-CD2 4.07Å; H91-F106 PolarHBondContact CE1-O 2.74Å; H91-F106 PolarHBondContact ND1-N 3.01Å; H91-F106 PolarHBondContact ND1-O 2.82Å; L104-F106 HydrophobicContact CB-CD2 4.45Å; L104-F106 HydrophobicContact CB-CE2 3.61Å; L104-F106 HydrophobicContact CB-CZ 4.07Å; L104-F106 HydrophobicContact CD1-CE2 4.38Å; L104-F106 HydrophobicContact CD1-CZ 4.07Å
107A95.7Very high71.7Confident6 Ų655.9 Ų55.95%0.0530%0.304CS..EExtended strand (participates in β ladder)trans-133.6153.7167.100000110.1L9 I25 L33 Y34L9-A107 HydrophobicContact CD1-CB 4.11Å; L9-A107 HydrophobicContact CD2-CB 4.16Å; I25-A107 HydrophobicContact CD1-CB 3.98Å; I25-A107 HydrophobicContact CG2-CB 3.9Å; L33-A107 CarbonylContact C-O 3.55Å; L33-A107 WeakPolarHBondContact CA-O 3.05Å; Y34-A107 HydrophobicContact CD1-CB 4.08Å; Y34-A107 PolarHBondContact N-O 3.19Å; Y34-A107 PolarHBondContact O-N 2.81Å
108F96.2Very high69.9Low16 Ų1659.4 Ų59.47%0.0733%0.327CS..EExtended strand (participates in β ladder)trans-80.4149.2173.3-64-68.8000109.7I25 S26 P29 T30 I32 L33 A83 Q84 K87I25-F108 CarbonylContact C-O 3.43Å; I25-F108 WeakPolarHBondContact CA-O 3.49Å; I25-F108 WeakPolarHBondContact CG2-O 3.47Å; S26-F108 PolarHBondContact N-O 3.27Å; P29-F108 HydrophobicContact CB-CD2 4.48Å; P29-F108 HydrophobicContact CB-CE1 4.2Å; P29-F108 HydrophobicContact CB-CE2 4.03Å; P29-F108 HydrophobicContact CB-CZ 3.89Å; P29-F108 HydrophobicContact CG-CE2 4.1Å; P29-F108 HydrophobicContact CG-CZ 4.33Å; T30-F108 WeakPolarHBondContact O-CD1 3.43Å; I32-F108 WeakPolarHBondContact O-CA 3.45Å; L33-F108 HydrophobicContact CD2-CD1 3.52Å; L33-F108 HydrophobicContact CD2-CE1 3.56Å; L33-F108 HydrophobicContact CD2-CG 4.37Å; L33-F108 HydrophobicContact CD2-CZ 4.44Å; A83-F108 HydrophobicContact CB-CE1 4.31Å; Q84-F108 HydrophobicContact CG-CE1 4.26Å; Q84-F108 HydrophobicContact CG-CZ 3.87Å; K87-F108 HydrophobicContact CD-CD2 4.26Å; K87-F108 HydrophobicContact CD-CE1 4.25Å; K87-F108 HydrophobicContact CD-CE2 3.77Å; K87-F108 HydrophobicContact CD-CZ 3.75Å
109V92.4Very high68.4Low0 Ų061.9 Ų61.90%034%0.336CS..EExtended strand (participates in β ladder)trans-113.8138.3177.8178.90000108.7V23 T24 I25 T30 I32 F74 N111V23-V109 HydrophobicContact CG1-CG1 3.73Å; V23-V109 HydrophobicContact CG1-CG2 4.27Å; T24-V109 WeakPolarHBondContact O-CA 3.43Å; I25-V109 HydrophobicContact CD1-CG2 4.28Å; T30-V109 VanDerWaalsContact CB-O 3.27Å; T30-V109 WeakPolarHBondContact CB-O 3.43Å; T30-V109 VanDerWaalsContact CG2-O 3.26Å; T30-V109 WeakPolarHBondContact CG2-O 3.38Å; T30-V109 PolarHBondContact OG1-N 3.19Å; T30-V109 PolarHBondContact OG1-O 2.77Å; I32-V109 HydrophobicContact CB-CB 4.11Å; I32-V109 HydrophobicContact CG2-CB 3.86Å; I32-V109 HydrophobicContact CG2-CG1 4.4Å; I32-V109 HydrophobicContact CG2-CG2 4.2Å; I32-V109 PolarHBondContact O-N 2.9Å; F74-V109 HydrophobicContact CD1-CG2 3.89Å; F74-V109 HydrophobicContact CE1-CG2 3.77Å; V109-N111 PolarHBondContact O-N 3.27Å
110E87.3Confident67Low89 Ų8957.4 Ų57.442%0.41633%0.325SS..  trans-61.2133.9177.9-70.7-170.1166.300111.5T24 G112 A113T24-E110 HydrophobicContact CG2-CG 4.13Å; T24-E110 WeakPolarHBondContact CG2-OE2 3.39Å; T24-E110 PolarHBondContact O-N 2.96Å; E110-G112 PolarHBondContact O-N 3.06Å; E110-A113 HydrophobicContact CB-CB 4.16Å; E110-A113 WeakPolarHBondContact O-CB 3.26Å; E110-A113 PolarHBondContact O-N 3.49Å; E110-A113 VanDerWaalsContact O-N 3.11Å
111N66Low65.3Low98 Ų9859.8 Ų59.852%0.52433%0.334SS..THydrogen-bonded Turntrans-63.9127.5175.1-71.5-7.1000109.2N31 V109N31-N111 PolarHBondContact OD1-ND2 3.47Å; N31-N111 PolarHBondContact OD1-OD1 3.2Å; V109-N111 PolarHBondContact O-N 3.27Å
112G59.1Low63.4Low82 Ų8261.8 Ų61.885%0.84534%0.344SS*.THydrogen-bonded Turntrans94.5-12.8-174.500000114.9E110 F114E110-G112 PolarHBondContact O-N 3.06Å; G112-F114 VanDerWaalsContact C-N 3.3Å
113A54.9Low60.8Low17 Ų1765.7 Ų65.714%0.1436%0.362CS..  trans-91.26.3168.700000112.6E110E110-A113 HydrophobicContact CB-CB 4.16Å; E110-A113 WeakPolarHBondContact O-CB 3.26Å; E110-A113 PolarHBondContact O-N 3.49Å; E110-A113 VanDerWaalsContact O-N 3.11Å
114F50.8Low57.8Low31 Ų3169.9 Ų69.914%0.13639%0.392CS..SBendtrans-93.6125.7176.1-163.6-102.7000108.8I32 F74 G112 I116I32-F114 HydrophobicContact CD1-CB 3.67Å; I32-F114 HydrophobicContact CD1-CD2 4.18Å; I32-F114 HydrophobicContact CD1-CG 3.88Å; I32-F114 HydrophobicContact CG2-CD2 3.73Å; I32-F114 HydrophobicContact CG2-CE2 3.97Å; I32-F114 HydrophobicContact CG2-CG 4.46Å; F74-F114 HydrophobicContact CB-CE2 3.56Å; F74-F114 HydrophobicContact CB-CZ 4.13Å; F74-F114 HydrophobicContact CD1-CD2 4.45Å; F74-F114 HydrophobicContact CD1-CE2 4.02Å; F74-F114 HydrophobicContact CD2-CE2 4.35Å; F74-F114 AromaticContact CG-CE2 3.74Å; F74-F114 HydrophobicContact CG-CE2 3.74Å; G112-F114 VanDerWaalsContact C-N 3.3Å; F114-I116 HydrophobicContact CD1-CG1 4.08Å; F114-I116 PolarHBondContact O-N 3.23Å
115P44.6Very low54.5Low53 Ų5372.2 Ų72.234%0.34442%0.417SS..  trans-70.285.717528.1-31.4000109
116I38.8Very low51.4Low140 Ų14081.3 Ų81.372%0.71846%0.457SS*.  trans-74.6114.8152.8-55.1175.7000104F114 D118F114-I116 HydrophobicContact CD1-CG1 4.08Å; F114-I116 PolarHBondContact O-N 3.23Å; I116-D118 VanDerWaalsContact C-N 3.3Å; I116-D118 PolarHBondContact O-N 3.35Å
117L33.1Very low48.2Very low88 Ų8887 Ų8746%0.46149%0.491SS..  trans-64.992.8172.3-77.5160.2000108.3Y119L117-Y119 HydrophobicContact CB-CD2 3.96Å; L117-Y119 HydrophobicContact CB-CE2 3.69Å; L117-Y119 HydrophobicContact CD1-CE2 4.24Å; L117-Y119 HydrophobicContact CD2-CE2 3.66Å; L117-Y119 HydrophobicContact CG-CE2 4.06Å
118D32.2Very low45Very low123 Ų12392.4 Ų92.466%0.65853%0.526SS*.  trans-91.4100.2170-174.83.3000109.1I116 S120I116-D118 VanDerWaalsContact C-N 3.3Å; I116-D118 PolarHBondContact O-N 3.35Å; D118-S120 WeakPolarHBondContact OD1-CB 3.49Å; D118-S120 PolarHBondContact OD1-N 3.43Å; D118-S120 VanDerWaalsContact OD1-N 3.17Å; D118-S120 PolarHBondContact OD1-OG 3.49Å
119Y31.7Very low41.7Very low64 Ų64101 Ų10125%0.25157%0.566SS.*  trans-93.72.9-179.3-83-74.6000113.4L117 F121 E141 G286L117-Y119 HydrophobicContact CB-CD2 3.96Å; L117-Y119 HydrophobicContact CB-CE2 3.69Å; L117-Y119 HydrophobicContact CD1-CE2 4.24Å; L117-Y119 HydrophobicContact CD2-CE2 3.66Å; L117-Y119 HydrophobicContact CG-CE2 4.06Å; Y119-F121 PolarHBondContact O-N 2.94Å; Y119-F121 VanDerWaalsContact O-N 3.15Å; Y119-E141 WeakPolarHBondContact CB-OE1 3.36Å; Y119-E141 HydrophobicContact CD2-CG 4.13Å; Y119-E141 WeakPolarHBondContact CD2-OE2 3.19Å; Y119-E141 HydrophobicContact CG-CG 4.4Å; Y119-G286 VanDerWaalsContact OH-CA 3.3Å; Y119-G286 WeakPolarHBondContact OH-CA 3.16Å
120S29.3Very low38.8Very low90 Ų90109.7 Ų109.763%0.62961%0.607SS**THydrogen-bonded Turntrans-67.4-17.1-171.964.10000114.8D118D118-S120 WeakPolarHBondContact OD1-CB 3.49Å; D118-S120 PolarHBondContact OD1-N 3.43Å; D118-S120 VanDerWaalsContact OD1-N 3.17Å; D118-S120 PolarHBondContact OD1-OG 3.49Å
121F28.2Very low36Very low179 Ų179116.1 Ų116.179%0.78563%0.627SS**THydrogen-bonded Turntrans-90.9-15.8-173.3-151.6-100.1000115.3Y119Y119-F121 PolarHBondContact O-N 2.94Å; Y119-F121 VanDerWaalsContact O-N 3.15Å
122L29.4Very low34.2Very low144 Ų144116.7 Ų116.775%0.75463%0.629SS**SBendtrans-88.8-10.1-171.5-78.7165.9000115.2
123I30.1Very low32.9Very low119 Ų119120.8 Ų120.861%0.6163%0.626SS**SBendtrans-91.3-7.9-170.2-57.8-179.1000112.9
124S27.6Very low31.5Very low108 Ų108123.5 Ų123.576%0.75564%0.644SS**SBendtrans-94.39.8-16867.40000117.1
125G25.4Very low30.4Very low51 Ų51126.9 Ų126.953%0.52668%0.678SS.*SBendtrans-154.8123.6178.600000114.3
126F29.9Very low29.9Very low210 Ų210130.3 Ų130.392%0.92169%0.689SS**  trans8062.6163.9-68-94.9000118.9
127V28.8Very low30.1Very low118 Ų118130.8 Ų130.872%0.71570%0.698SS**  trans-142122.1145.7-172.70000110
128P29.7Very low31.3Very low120 Ų120127.6 Ų127.678%0.77968%0.683SS**  trans-64.9145.4176.3-17.230.2000112.8Q130P128-Q130 PolarHBondContact O-N 2.84Å
129E27.2Very low33Very low197 Ų197124.8 Ų124.892%0.92167%0.673SS**SBendtrans-45.791.8-173.8-66.6171.2147.800115.8
130Q30.5Very low35.4Very low183 Ų183121.9 Ų121.986%0.85566%0.661SS**SBendtrans-137.395.1150.2-74.7-168.9-12.400109.1P128 I132P128-Q130 PolarHBondContact O-N 2.84Å; Q130-I132 PolarHBondContact O-N 3.23Å
131R28.6Very low38Very low223 Ų223120.9 Ų120.984%0.84265%0.647SS**  trans32.378.3168.3-65.2-173.4-170.9-178.10.7116.4H133R131-H133 PolarHBondContact O-N 2.86Å
132I28.5Very low40.7Very low110 Ų110113.3 Ų113.356%0.56462%0.619SS**  trans-82.6102.8155.8-58.3173.7000106.4Q130 S134Q130-I132 PolarHBondContact O-N 3.23Å; I132-S134 VanDerWaalsContact C-N 3.28Å; I132-S134 PolarHBondContact O-N 3.42Å; I132-S134 VanDerWaalsContact O-N 3.1Å
133H31Very low43.4Very low168 Ų168107.6 Ų107.678%0.77859%0.59SS**  trans-77.584.2165.2-81.2-62.1000108.1R131R131-H133 PolarHBondContact O-N 2.86Å
134S27.3Very low45.9Very low75 Ų75105.3 Ų105.352%0.52458%0.581SS.*  trans-118.393.8170.160.60000109.1I132I132-S134 VanDerWaalsContact C-N 3.28Å; I132-S134 PolarHBondContact O-N 3.42Å; I132-S134 VanDerWaalsContact O-N 3.1Å
135A26.7Very low48.6Very low102 Ų102102.9 Ų102.984%0.84356%0.559SS**  trans165.558.8151.400000110.6
136E34.8Very low51Low124 Ų124103.1 Ų103.158%0.57955%0.548SS*.  trans-130.2131.8162.6-75.8178.8-177.100107.8S138E136-S138 PolarHBondContact O-N 2.76Å
137V43.3Very low53.2Low151 Ų15197.2 Ų97.292%0.91553%0.529SS*.THydrogen-bonded Turntrans-62.10.9-165.31760000114.3
138S58.3Low55.8Low21 Ų2196.1 Ų96.115%0.14752%0.52CS..THydrogen-bonded Turntrans-1283.9-162.160.50000114.4E136 H272 V313 D315E136-S138 PolarHBondContact O-N 2.76Å; S138-H272 WeakPolarHBondContact O-CB 3.14Å; S138-H272 PolarHBondContact O-ND1 3.45Å; S138-V313 WeakPolarHBondContact O-CG1 3.08Å; S138-V313 VanDerWaalsContact OG-CG1 3.32Å; S138-V313 WeakPolarHBondContact OG-CG1 3.18Å; S138-D315 WeakPolarHBondContact CB-OD2 3.49Å
139C67Low58.5Low64 Ų6491 Ų9143%0.43249%0.485SS..SBendtrans-87.4130.2171.7-1690000111.4E141C139-E141 PolarHBondContact O-N 3.09Å
140P82.1Confident61.4Low2 Ų281.8 Ų81.81%0.01344%0.442CS..PPolyproline II helixtrans-59.3119.4174.3-21.130.6000111.5G142 L143 F263 H272 A288 W292P140-G142 PolarHBondContact O-N 2.8Å; P140-L143 HydrophobicContact CB-CB 4.31Å; P140-L143 HydrophobicContact CB-CD2 4.36Å; P140-L143 HydrophobicContact CG-CD2 4.04Å; P140-L143 WeakPolarHBondContact O-CB 3.49Å; P140-L143 PolarHBondContact O-N 3.23Å; P140-F263 HydrophobicContact CG-CB 3.76Å; P140-F263 HydrophobicContact CG-CD1 4.18Å; P140-F263 HydrophobicContact CG-CG 3.98Å; P140-H272 HydrophobicContact CG-CB 4.07Å; P140-A288 HydrophobicContact CB-CB 3.62Å; P140-W292 HydrophobicContact CB-CD2 3.71Å; P140-W292 HydrophobicContact CB-CE3 4.36Å; P140-W292 HydrophobicContact CB-CG 3.81Å; P140-W292 HydrophobicContact CB-CZ2 4.14Å; P140-W292 HydrophobicContact CG-CD2 3.53Å; P140-W292 HydrophobicContact CG-CE3 3.66Å; P140-W292 HydrophobicContact CG-CG 4.02Å; P140-W292 HydrophobicContact CG-CH2 4.08Å; P140-W292 HydrophobicContact CG-CZ2 4Å; P140-W292 HydrophobicContact CG-CZ3 3.93Å
141E83Confident64.1Low69 Ų6976.7 Ų76.732%0.32242%0.423SS..THydrogen-bonded Turntrans-61132.5175179.6171.7-128.600111.3Y119 C139 Q287 A288Y119-E141 WeakPolarHBondContact CB-OE1 3.36Å; Y119-E141 HydrophobicContact CD2-CG 4.13Å; Y119-E141 WeakPolarHBondContact CD2-OE2 3.19Å; Y119-E141 HydrophobicContact CG-CG 4.4Å; C139-E141 PolarHBondContact O-N 3.09Å; E141-Q287 HydrophobicContact CB-CB 4.2Å; E141-Q287 HydrophobicContact CB-CG 4.18Å; E141-Q287 CarbonylContact O-C 3.51Å; E141-Q287 WeakPolarHBondContact O-CB 2.84Å; E141-Q287 PolarHBondContact O-N 3.38Å; E141-Q287 PolarHBondContact OE2-NE2 3.33Å; E141-A288 WeakPolarHBondContact O-CB 3.04Å; E141-A288 PolarHBondContact O-N 3.34Å
142G85.2Confident67.1Low20 Ų2069.9 Ų69.921%0.20640%0.404CS..THydrogen-bonded Turntrans90.45.8-175.400000114.7P140 T285P140-G142 PolarHBondContact O-N 2.8Å; G142-T285 WeakPolarHBondContact CA-O 3.48Å; G142-T285 WeakPolarHBondContact CA-OG1 3.46Å; G142-T285 PolarHBondContact O-N 2.79Å; G142-T285 PolarHBondContact O-OG1 3.46Å
143L87.1Confident70.2Confident25 Ų2567.2 Ų67.213%0.13140%0.395CS..EExtended strand (participates in β ladder)trans-89.7125.8172-162.364.8000111.1P140 F263 L274 L282 M284 A288P140-L143 HydrophobicContact CB-CB 4.31Å; P140-L143 HydrophobicContact CB-CD2 4.36Å; P140-L143 HydrophobicContact CG-CD2 4.04Å; P140-L143 WeakPolarHBondContact O-CB 3.49Å; P140-L143 PolarHBondContact O-N 3.23Å; L143-F263 HydrophobicContact CD1-CE1 3.77Å; L143-F263 HydrophobicContact CD1-CE2 4.05Å; L143-F263 HydrophobicContact CD1-CZ 3.45Å; L143-F263 VanDerWaalsContact CD1-CZ 3.45Å; L143-F263 HydrophobicContact CD2-CD2 4.12Å; L143-F263 HydrophobicContact CD2-CE1 4.47Å; L143-F263 HydrophobicContact CD2-CE2 3.91Å; L143-F263 HydrophobicContact CD2-CZ 4.11Å; L143-F263 HydrophobicContact CG-CZ 4.46Å; L143-L274 HydrophobicContact CD2-CD2 3.81Å; L143-L274 HydrophobicContact CG-CD2 4.24Å; L143-L282 HydrophobicContact CD1-CD1 3.58Å; L143-L282 HydrophobicContact CD1-CG 4.29Å; L143-L282 HydrophobicContact CG-CD1 4.05Å; L143-M284 HydrophobicContact CD1-CG 3.58Å; L143-A288 HydrophobicContact CB-CB 3.84Å; L143-A288 HydrophobicContact CD1-CB 4.12Å
144V81.2Confident73.1Confident71 Ų7161.7 Ų61.743%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-131.6130.4176.2179.30000109.8L282 I283V144-L282 CarbonylContact O-C 3.5Å; V144-L282 WeakPolarHBondContact O-CA 3.34Å; V144-I283 HydrophobicContact CB-CB 4.21Å; V144-I283 HydrophobicContact CB-CD1 4.46Å; V144-I283 HydrophobicContact CG1-CD1 4.39Å; V144-I283 PolarHBondContact N-O 2.79Å; V144-I283 PolarHBondContact O-N 2.55Å
145L84.8Confident76.4Confident56 Ų5658.2 Ų58.229%0.29335%0.345SS..EExtended strand (participates in β ladder)trans-119124.8176.5179.966.1000110.5L274 L275 L276 L282L145-L274 HydrophobicContact CB-CD2 4.48Å; L145-L274 HydrophobicContact CD2-CD1 3.98Å; L145-L274 HydrophobicContact CD2-CD2 4.4Å; L145-L274 HydrophobicContact CD2-CG 4.29Å; L145-L275 WeakPolarHBondContact CD2-O 3.32Å; L145-L276 HydrophobicContact CD1-CD2 3.8Å; L145-L276 HydrophobicContact CD2-CD2 4.45Å; L145-L282 HydrophobicContact CB-CD1 4.41Å; L145-L282 HydrophobicContact CD1-CB 4.28Å; L145-L282 HydrophobicContact CD1-CD1 4.35Å
146L75.6Confident79.6Confident56 Ų5659.9 Ų59.929%0.29333%0.33SS..EExtended strand (participates in β ladder)trans-111.1110.5174.6-67.6155.2000109.3L217 S280 L281 I283L146-L217 HydrophobicContact CD1-CD1 3.35Å; L146-L217 HydrophobicContact CD1-CD2 3.75Å; L146-L217 HydrophobicContact CD1-CG 4.14Å; L146-S280 CarbonylContact O-C 3.41Å; L146-S280 WeakPolarHBondContact O-CA 3.35Å; L146-S280 WeakPolarHBondContact O-CB 3.46Å; L146-L281 HydrophobicContact CB-CB 4.33Å; L146-L281 HydrophobicContact CD1-CD2 4.13Å; L146-L281 PolarHBondContact N-O 3.29Å; L146-L281 PolarHBondContact O-N 3.47Å; L146-I283 HydrophobicContact CD1-CD1 4Å
147T77Confident82.4Confident86 Ų8657.2 Ų57.253%0.52832%0.319SS..THydrogen-bonded Turntrans-76.7149.2174.757.50000111.2F149 P277T147-F149 PolarHBondContact O-N 2.86Å; T147-P277 HydrophobicContact CG2-CG 3.77Å
148D82.8Confident84.9Confident96 Ų9650.3 Ų50.351%0.51328%0.277SS..THydrogen-bonded Turntrans52.638.4179.4-59.4-57.5000113.9I150 R279D148-I150 VanDerWaalsContact C-N 3.28Å; D148-I150 PolarHBondContact O-N 3.19Å; D148-R279 CarbonylContact C-O 3.34Å; D148-R279 IonicContact OD1-CZ 3.69Å; D148-R279 IonicContact OD1-NE 3.5Å; D148-R279 PolarHBondContact OD1-NE 3.39Å; D148-R279 IonicContact OD1-NH2 2.95Å; D148-R279 PolarHBondContact OD1-NH2 3.2Å
149F86.9Confident86.5Confident12 Ų1250 Ų505%0.05328%0.275CS..  trans-63.3-36.5177.5179.8-105.9000111.8T147 L208 R211 M212 L215 L217 L253 R279 L281T147-F149 PolarHBondContact O-N 2.86Å; F149-L208 HydrophobicContact CE1-CD2 4.49Å; F149-R211 HydrophobicContact CZ-CG 4.34Å; F149-R211 PolarHBondContact O-NH1 2.91Å; F149-R211 PolarHBondContact O-NH2 3.06Å; F149-M212 HydrophobicContact CD1-CE 4.37Å; F149-M212 HydrophobicContact CE1-CE 3.58Å; F149-M212 HydrophobicContact CE1-CG 3.98Å; F149-M212 HydrophobicContact CE2-CG 4.32Å; F149-M212 HydrophobicContact CZ-CE 4.11Å; F149-M212 HydrophobicContact CZ-CG 3.49Å; F149-M212 VanDerWaalsContact CZ-CG 3.49Å; F149-L215 HydrophobicContact CE2-CD1 4.11Å; F149-L217 HydrophobicContact CE2-CD1 3.97Å; F149-L253 HydrophobicContact CD1-CD1 4.17Å; F149-R279 PolarHBondContact N-O 3.48Å; F149-L281 HydrophobicContact CB-CB 3.78Å; F149-L281 HydrophobicContact CD1-CB 3.91Å; F149-L281 HydrophobicContact CD1-CD2 4.02Å; F149-L281 HydrophobicContact CD1-CG 4.43Å; F149-L281 HydrophobicContact CD2-CB 4.31Å; F149-L281 HydrophobicContact CD2-CD2 3.98Å; F149-L281 HydrophobicContact CE1-CD2 3.98Å; F149-L281 HydrophobicContact CE2-CD2 3.92Å; F149-L281 HydrophobicContact CG-CB 3.72Å; F149-L281 HydrophobicContact CG-CD2 4.05Å; F149-L281 HydrophobicContact CG-CG 4.49Å; F149-L281 HydrophobicContact CZ-CD2 3.94Å
150I88.5Confident87.7Confident3 Ų353.3 Ų53.32%0.01528%0.282CS..SBendtrans-110.6155.317364.9172000111.4D148 Q154 E155 L158 L208 L253 L255 R279D148-I150 VanDerWaalsContact C-N 3.28Å; D148-I150 PolarHBondContact O-N 3.19Å; I150-Q154 HydrophobicContact CB-CB 4.03Å; I150-E155 HydrophobicContact CD1-CB 3.8Å; I150-E155 HydrophobicContact CD1-CG 4.3Å; I150-L158 HydrophobicContact CD1-CD1 3.79Å; I150-L208 HydrophobicContact CG2-CD1 4.25Å; I150-L208 HydrophobicContact CG2-CD2 3.8Å; I150-L253 HydrophobicContact CD1-CD1 4.35Å; I150-L253 HydrophobicContact CD1-CD2 4.34Å; I150-L253 HydrophobicContact CG1-CD1 4.44Å; I150-L253 HydrophobicContact CG2-CD1 4.1Å; I150-L253 HydrophobicContact CG2-CD2 4.31Å; I150-L255 HydrophobicContact CD1-CD2 3.34Å; I150-R279 HydrophobicContact CD1-CB 4.37Å; I150-R279 HydrophobicContact CD1-CG 4.33Å; I150-R279 HydrophobicContact CG1-CB 3.59Å; I150-R279 HydrophobicContact CG1-CG 3.87Å; I150-R279 PolarHBondContact N-O 3.12Å; I150-R279 WeakPolarHBondContact O-CD 3.25Å
151T87.5Confident88.2Confident76 Ų7655 Ų5547%0.46629%0.291SS..  trans-79.4161.6173.162.50000111.7S153 Q154 E155T151-S153 PolarHBondContact O-N 2.89Å; T151-Q154 PolarHBondContact O-N 3.32Å; T151-Q154 VanDerWaalsContact O-N 3.13Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.44Å; T151-Q154 PolarHBondContact OG1-N 3.36Å; T151-Q154 PolarHBondContact OG1-OE1 3.14Å; T151-Q154 VanDerWaalsContact OG1-OE1 3.09Å; T151-E155 PolarHBondContact O-N 2.82Å
152D91.1Very high88.4Confident80 Ų8052.6 Ų52.643%0.42828%0.281SS..Hα-helixtrans-58.1-29.8172.4-64.1-70.1000112.9R156 R279D152-R156 WeakPolarHBondContact O-CG 3.46Å; D152-R156 PolarHBondContact O-N 2.79Å; D152-R156 VanDerWaalsContact O-N 3.12Å; D152-R156 PolarHBondContact O-NH1 2.9Å; D152-R279 IonicContact OD1-CZ 2.78Å; D152-R279 IonicContact OD1-NE 3.49Å; D152-R279 IonicContact OD1-NH1 2.65Å; D152-R279 PolarHBondContact OD1-NH1 2.87Å
153S92.6Very high88.6Confident55 Ų5557.5 Ų57.539%0.38530%0.298SS..Hα-helixtrans-67.4-48.5175.1-1620000111.3T151 E155 R156 D157T151-S153 PolarHBondContact O-N 2.89Å; S153-E155 VanDerWaalsContact C-N 3.3Å; S153-E155 PolarHBondContact O-N 2.95Å; S153-R156 PolarHBondContact O-N 3.05Å; S153-D157 VanDerWaalsContact O-CG 3.23Å; S153-D157 PolarHBondContact O-N 2.63Å
154Q92.9Very high88.8Confident51 Ų5160.3 Ų60.324%0.23832%0.32CS..Hα-helixtrans-62.9-37.5177.6-72.9168.6-4800111.9I150 T151 D157 L158I150-Q154 HydrophobicContact CB-CB 4.03Å; T151-Q154 PolarHBondContact O-N 3.32Å; T151-Q154 VanDerWaalsContact O-N 3.13Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.44Å; T151-Q154 PolarHBondContact OG1-N 3.36Å; T151-Q154 PolarHBondContact OG1-OE1 3.14Å; T151-Q154 VanDerWaalsContact OG1-OE1 3.09Å; Q154-D157 PolarHBondContact O-N 3.17Å; Q154-L158 WeakPolarHBondContact O-CB 3.06Å; Q154-L158 VanDerWaalsContact O-CG 3.3Å; Q154-L158 WeakPolarHBondContact O-CG 3.42Å; Q154-L158 PolarHBondContact O-N 3.06Å
155E95.6Very high89Confident3 Ų359.7 Ų59.71%0.01431%0.31CS..Hα-helixtrans-61.5-45.2174.3-172-177-138.600111.5I150 T151 S153 D157 L158 S159 L255 N256 R278 R279I150-E155 HydrophobicContact CD1-CB 3.8Å; I150-E155 HydrophobicContact CD1-CG 4.3Å; T151-E155 PolarHBondContact O-N 2.82Å; S153-E155 VanDerWaalsContact C-N 3.3Å; S153-E155 PolarHBondContact O-N 2.95Å; E155-D157 VanDerWaalsContact C-N 3.32Å; E155-D157 PolarHBondContact O-N 3.12Å; E155-L158 PolarHBondContact O-N 2.77Å; E155-S159 WeakPolarHBondContact O-CB 3.38Å; E155-S159 PolarHBondContact O-N 3.13Å; E155-S159 PolarHBondContact O-OG 3.45Å; E155-L255 HydrophobicContact CG-CB 4.37Å; E155-L255 HydrophobicContact CG-CD2 4.05Å; E155-N256 PolarHBondContact OE1-N 2.98Å; E155-R278 IonicContact OE1-CZ 3.63Å; E155-R278 IonicContact OE1-NE 3.35Å; E155-R278 PolarHBondContact OE1-NE 3.24Å; E155-R278 IonicContact OE1-NH2 3.69Å; E155-R278 PolarHBondContact OE1-NH2 2.91Å; E155-R278 IonicContact OE2-CZ 3.6Å; E155-R278 VanDerWaalsContact OE2-CZ 3.27Å; E155-R278 IonicContact OE2-NE 3.54Å; E155-R278 PolarHBondContact OE2-NE 2.89Å; E155-R278 VanDerWaalsContact OE2-NE 3.15Å; E155-R278 IonicContact OE2-NH2 3.62Å; E155-R278 PolarHBondContact OE2-NH2 3.5Å; E155-R279 HydrophobicContact CB-CG 4.15Å; E155-R279 HydrophobicContact CG-CG 4.25Å
156R93.8Very high88.8Confident137 Ų13760.2 Ų60.252%0.51732%0.319SS..Hα-helixtrans-61.2-40.6174.7-73.4-174.4-61.3-93.74.6112.4D152 S153 S159 K160D152-R156 WeakPolarHBondContact O-CG 3.46Å; D152-R156 PolarHBondContact O-N 2.79Å; D152-R156 VanDerWaalsContact O-N 3.12Å; D152-R156 PolarHBondContact O-NH1 2.9Å; S153-R156 PolarHBondContact O-N 3.05Å; R156-S159 PolarHBondContact O-N 2.74Å; R156-K160 WeakPolarHBondContact O-CG 3.36Å; R156-K160 PolarHBondContact O-N 3.06Å
157D94.9Very high89Confident67 Ų6762 Ų6236%0.35834%0.342SS..Hα-helixtrans-68.2-40.3179.9-64.2-27.5000111.4S153 Q154 E155 L161 L204S153-D157 VanDerWaalsContact O-CG 3.23Å; S153-D157 PolarHBondContact O-N 2.63Å; Q154-D157 PolarHBondContact O-N 3.17Å; E155-D157 VanDerWaalsContact C-N 3.32Å; E155-D157 PolarHBondContact O-N 3.12Å; D157-L161 VanDerWaalsContact O-CB 3.27Å; D157-L161 WeakPolarHBondContact O-CB 3.08Å; D157-L161 PolarHBondContact O-N 2.93Å; D157-L204 HydrophobicContact CB-CD2 3.9Å
158L94.5Very high89.2Confident6 Ų661 Ų613%0.03133%0.333CS..Hα-helixtrans-64.2-43.9172.8-73169.1000112I150 Q154 E155 L161 V162 L204 L208 L253 L255I150-L158 HydrophobicContact CD1-CD1 3.79Å; Q154-L158 WeakPolarHBondContact O-CB 3.06Å; Q154-L158 VanDerWaalsContact O-CG 3.3Å; Q154-L158 WeakPolarHBondContact O-CG 3.42Å; Q154-L158 PolarHBondContact O-N 3.06Å; E155-L158 PolarHBondContact O-N 2.77Å; L158-L161 WeakPolarHBondContact O-CB 3.42Å; L158-L161 PolarHBondContact O-N 3.17Å; L158-V162 WeakPolarHBondContact O-CB 3.16Å; L158-V162 VanDerWaalsContact O-CG2 3.28Å; L158-V162 WeakPolarHBondContact O-CG2 3.39Å; L158-V162 PolarHBondContact O-N 3.07Å; L158-L204 HydrophobicContact CD2-CD2 3.84Å; L158-L204 HydrophobicContact CD2-CG 4.04Å; L158-L204 HydrophobicContact CG-CD2 4.1Å; L158-L208 HydrophobicContact CD1-CD1 3.83Å; L158-L208 HydrophobicContact CD2-CD1 4.11Å; L158-L208 HydrophobicContact CG-CD1 4.42Å; L158-L253 HydrophobicContact CD1-CD2 3.72Å; L158-L255 HydrophobicContact CB-CD1 3.87Å; L158-L255 HydrophobicContact CD1-CD1 4.2Å; L158-L255 HydrophobicContact CD1-CD2 3.82Å
159S92.1Very high89.2Confident16 Ų1658.5 Ų58.511%0.11232%0.317CS..Hα-helixtrans-61.6-45.7177.7-68.70000111.7E155 R156 L161 V162 E163 N256E155-S159 WeakPolarHBondContact O-CB 3.38Å; E155-S159 PolarHBondContact O-N 3.13Å; E155-S159 PolarHBondContact O-OG 3.45Å; R156-S159 PolarHBondContact O-N 2.74Å; S159-L161 PolarHBondContact O-N 2.87Å; S159-V162 PolarHBondContact O-N 3.09Å; S159-E163 WeakPolarHBondContact O-CG 3.48Å; S159-E163 PolarHBondContact O-N 3.06Å; S159-N256 VanDerWaalsContact OG-CG 3.29Å; S159-N256 PolarHBondContact OG-ND2 3.22Å; S159-N256 PolarHBondContact OG-OD1 3.34Å
160K92.7Very high88.8Confident133 Ų13361.3 Ų61.358%0.57834%0.337SS*.Hα-helixtrans-61.8-42.2174.3-74.8172.4175.9175.20112.7R156 V162 E163 S164R156-K160 WeakPolarHBondContact O-CG 3.36Å; R156-K160 PolarHBondContact O-N 3.06Å; K160-V162 VanDerWaalsContact C-N 3.34Å; K160-E163 PolarHBondContact O-N 3.22Å; K160-S164 PolarHBondContact O-N 3.01Å
161L91.7Very high88.2Confident37 Ų3766.3 Ų66.319%0.19437%0.371CS..Hα-helixtrans-58.9-48.7177.1173.870.4000110.3D157 L158 S159 S164 Y165 P202 L204D157-L161 VanDerWaalsContact O-CB 3.27Å; D157-L161 WeakPolarHBondContact O-CB 3.08Å; D157-L161 PolarHBondContact O-N 2.93Å; L158-L161 WeakPolarHBondContact O-CB 3.42Å; L158-L161 PolarHBondContact O-N 3.17Å; S159-L161 PolarHBondContact O-N 2.87Å; L161-S164 WeakPolarHBondContact O-CB 3.45Å; L161-S164 PolarHBondContact O-N 3.43Å; L161-S164 PolarHBondContact O-OG 3.1Å; L161-Y165 HydrophobicContact CD1-CE2 3.8Å; L161-Y165 HydrophobicContact CG-CE2 4.25Å; L161-Y165 WeakPolarHBondContact O-CD2 3.18Å; L161-P202 HydrophobicContact CD1-CB 4.19Å; L161-P202 HydrophobicContact CD2-CB 3.64Å; L161-P202 HydrophobicContact CD2-CG 4.05Å; L161-P202 HydrophobicContact CG-CB 4.39Å; L161-L204 HydrophobicContact CD2-CB 4.2Å; L161-L204 HydrophobicContact CD2-CD2 4.24Å
162V89.1Confident87.4Confident18 Ų1865.2 Ų65.211%0.10936%0.362CS..Hα-helixtrans-63.9-43.3179.8170.90000111.3L158 S159 K160 S164 Y165 Y169 V227 F229L158-V162 WeakPolarHBondContact O-CB 3.16Å; L158-V162 VanDerWaalsContact O-CG2 3.28Å; L158-V162 WeakPolarHBondContact O-CG2 3.39Å; L158-V162 PolarHBondContact O-N 3.07Å; S159-V162 PolarHBondContact O-N 3.09Å; K160-V162 VanDerWaalsContact C-N 3.34Å; V162-S164 VanDerWaalsContact C-N 3.26Å; V162-S164 PolarHBondContact O-N 2.69Å; V162-Y165 PolarHBondContact O-N 3.17Å; V162-Y169 PolarHBondContact O-OH 3.46Å; V162-V227 HydrophobicContact CG1-CG1 3.91Å; V162-V227 HydrophobicContact CG2-CG1 4.14Å; V162-V227 HydrophobicContact CG2-CG2 4.46Å; V162-F229 HydrophobicContact CG1-CE1 3.36Å; V162-F229 HydrophobicContact CG1-CE2 4.2Å; V162-F229 HydrophobicContact CG1-CZ 3.09Å
163E88.3Confident86.4Confident123 Ų12365.1 Ų65.158%0.57538%0.38SS*.Hα-helixtrans-59.5-34.3174.9-76.7173.8-176.800113.2S159 K160 Y165 S166S159-E163 WeakPolarHBondContact O-CG 3.48Å; S159-E163 PolarHBondContact O-N 3.06Å; K160-E163 PolarHBondContact O-N 3.22Å; E163-Y165 PolarHBondContact O-N 2.82Å; E163-S166 WeakPolarHBondContact O-CB 3.19Å; E163-S166 PolarHBondContact O-N 3.32Å; E163-S166 PolarHBondContact O-OG 3.2Å
164S90.4Very high85.4Confident84 Ų8471.4 Ų71.459%0.58740%0.4SS*.Hα-helixtrans-63.1-20.8176.981.70000113.1K160 L161 V162K160-S164 PolarHBondContact O-N 3.01Å; L161-S164 WeakPolarHBondContact O-CB 3.45Å; L161-S164 PolarHBondContact O-N 3.43Å; L161-S164 PolarHBondContact O-OG 3.1Å; V162-S164 VanDerWaalsContact C-N 3.26Å; V162-S164 PolarHBondContact O-N 2.69Å
165Y87Confident84.7Confident59 Ų5970.3 Ų70.323%0.23139%0.394CS..THydrogen-bonded Turntrans-97.415.1175.9-66.8-66.2000113.9L161 V162 E163 A167 N168 L178 F180 Q199 P202L161-Y165 HydrophobicContact CD1-CE2 3.8Å; L161-Y165 HydrophobicContact CG-CE2 4.25Å; L161-Y165 WeakPolarHBondContact O-CD2 3.18Å; V162-Y165 PolarHBondContact O-N 3.17Å; E163-Y165 PolarHBondContact O-N 2.82Å; Y165-A167 PolarHBondContact O-N 3.47Å; Y165-A167 VanDerWaalsContact O-N 3.12Å; Y165-N168 PolarHBondContact O-N 2.81Å; Y165-L178 HydrophobicContact CD2-CD2 4.5Å; Y165-L178 HydrophobicContact CG-CD2 4.24Å; Y165-F180 HydrophobicContact CD2-CE1 4.04Å; Y165-F180 AromaticContact CD2-CZ 3.74Å; Y165-F180 HydrophobicContact CD2-CZ 3.74Å; Y165-F180 HydrophobicContact CE1-CE1 4.47Å; Y165-F180 AromaticContact CE2-CE1 3.89Å; Y165-F180 HydrophobicContact CE2-CE1 3.89Å; Y165-F180 AromaticContact CE2-CZ 3.96Å; Y165-F180 HydrophobicContact CE2-CZ 3.96Å; Y165-F180 HydrophobicContact CG-CE1 4.37Å; Y165-F180 HydrophobicContact CG-CZ 4.2Å; Y165-Q199 VanDerWaalsContact CD1-NE2 3.32Å; Y165-Q199 VanDerWaalsContact CE1-NE2 3.34Å; Y165-P202 HydrophobicContact CE2-CG 4.28Å
166S80.6Confident84.2Confident67 Ų6774.6 Ų74.647%0.46941%0.41SS..G310 helixtrans-58.6-25.8-176.352.70000116.3E163 N168 Y169E163-S166 WeakPolarHBondContact O-CB 3.19Å; E163-S166 PolarHBondContact O-N 3.32Å; E163-S166 PolarHBondContact O-OG 3.2Å; S166-N168 PolarHBondContact O-N 3.22Å; S166-Y169 VanDerWaalsContact CA-CE2 3.44Å; S166-Y169 VanDerWaalsContact CB-CE2 3.49Å; S166-Y169 VanDerWaalsContact O-CD2 3.26Å; S166-Y169 WeakPolarHBondContact O-CD2 3.3Å
167A79.5Confident83.9Confident94 Ų9468.1 Ų68.178%0.77739%0.386SS*.G310 helixtrans-66.5-18.6173.500000113.6Y165Y165-A167 PolarHBondContact O-N 3.47Å; Y165-A167 VanDerWaalsContact O-N 3.12Å
168N80.9Confident83.7Confident64 Ų6465.1 Ų65.134%0.34237%0.37SS..G310 helixtrans-104.910.2-171.5-68.823.2000113.2Y165 S166 C170 L178 Q199Y165-N168 PolarHBondContact O-N 2.81Å; S166-N168 PolarHBondContact O-N 3.22Å; N168-C170 PolarHBondContact O-N 3.24Å; N168-L178 HydrophobicContact CB-CD1 3.8Å; N168-Q199 PolarHBondContact ND2-NE2 3.27Å
169Y82Confident83.4Confident44 Ų4465.8 Ų65.817%0.17337%0.373CS..PPolyproline II helixtrans-66.1132.2179.5-62.9-20000111.6V162 S166 L178 F229V162-Y169 PolarHBondContact O-OH 3.46Å; S166-Y169 VanDerWaalsContact CA-CE2 3.44Å; S166-Y169 VanDerWaalsContact CB-CE2 3.49Å; S166-Y169 VanDerWaalsContact O-CD2 3.26Å; S166-Y169 WeakPolarHBondContact O-CD2 3.3Å; Y169-L178 HydrophobicContact CD1-CB 4.32Å; Y169-L178 HydrophobicContact CE1-CD2 4.42Å; Y169-F229 AromaticContact CD1-CE2 3.99Å; Y169-F229 HydrophobicContact CD1-CE2 3.99Å; Y169-F229 HydrophobicContact CD1-CZ 4.1Å; Y169-F229 HydrophobicContact CE1-CE1 4.2Å; Y169-F229 AromaticContact CE1-CE2 3.64Å; Y169-F229 HydrophobicContact CE1-CE2 3.64Å; Y169-F229 AromaticContact CE1-CZ 3.27Å; Y169-F229 HydrophobicContact CE1-CZ 3.27Å; Y169-F229 HydrophobicContact CE2-CZ 4.27Å; Y169-F229 AromaticContact CZ-CE1 3.82Å; Y169-F229 AromaticContact CZ-CZ 3.35Å; Y169-F229 WeakPolarHBondContact OH-CZ 3.48Å
170C79.5Confident83.3Confident71 Ų7165.1 Ų65.148%0.4837%0.368SS..EExtended strand (participates in β ladder)trans-95.6134.2167-66.90000108.9N168 R176 V177N168-C170 PolarHBondContact O-N 3.24Å; C170-R176 WeakPolarHBondContact O-CA 3.46Å; C170-V177 HydrophobicContact CB-CG2 3.81Å; C170-V177 PolarHBondContact N-O 3.02Å; C170-V177 WeakPolarHBondContact O-CG2 2.9Å; C170-V177 PolarHBondContact O-N 2.88Å
171C76.4Confident83Confident108 Ų10859.6 Ų59.673%0.7335%0.348SS*.EExtended strand (participates in β ladder)trans-86.7122.4172.6-67.50000109.4
172L69.9Low82.6Confident53 Ų5361.3 Ų61.328%0.27735%0.353SS..EExtended strand (participates in β ladder)trans-119.893.4174.2-171.873.3000109K174 R175 V177 Y186L172-K174 PolarHBondContact O-N 3.36Å; L172-R175 HydrophobicContact CB-CG 4.4Å; L172-R175 PolarHBondContact N-O 3.14Å; L172-R175 WeakPolarHBondContact O-CG 3.27Å; L172-R175 PolarHBondContact O-N 2.81Å; L172-V177 HydrophobicContact CB-CG2 4.34Å; L172-Y186 HydrophobicContact CD1-CD1 4.47Å; L172-Y186 HydrophobicContact CD1-CD2 3.85Å; L172-Y186 HydrophobicContact CD1-CE2 4.42Å; L172-Y186 HydrophobicContact CD1-CG 3.85Å; L172-Y186 HydrophobicContact CD2-CD1 3.33Å; L172-Y186 HydrophobicContact CD2-CD2 3.84Å; L172-Y186 HydrophobicContact CD2-CE1 3.35Å; L172-Y186 HydrophobicContact CD2-CE2 3.87Å; L172-Y186 HydrophobicContact CD2-CG 3.56Å; L172-Y186 HydrophobicContact CG-CD2 4.44Å; L172-Y186 HydrophobicContact CG-CG 4.38Å
173G70.7Confident82.2Confident78 Ų7862.8 Ų62.880%0.80436%0.36SS*.THydrogen-bonded Turntrans65-120.4-169.800000110.7
174K70.4Confident81.8Confident187 Ų18758 Ų5881%0.81334%0.337SS*.THydrogen-bonded Turntrans-89.5-13.8179.4-65.9-174.7179.6-179.30114.1L172 Q234L172-K174 PolarHBondContact O-N 3.36Å; K174-Q234 PolarHBondContact O-NE2 2.84Å; K174-Q234 PolarHBondContact O-OE1 2.75Å
175R78.3Confident81.2Confident28 Ų2857.2 Ų57.211%0.10633%0.326CS..EExtended strand (participates in β ladder)trans-99.6155.8-176.460.1173.6-179169.91.7111.9L172 N228 F229 Y230 I236L172-R175 HydrophobicContact CB-CG 4.4Å; L172-R175 PolarHBondContact N-O 3.14Å; L172-R175 WeakPolarHBondContact O-CG 3.27Å; L172-R175 PolarHBondContact O-N 2.81Å; R175-N228 PolarHBondContact NH1-OD1 3.17Å; R175-F229 WeakPolarHBondContact CB-O 3.41Å; R175-Y230 PolarHBondContact NH1-OH 3.16Å; R175-I236 VanDerWaalsContact NH1-CG1 3.33Å
176R86.8Confident80.6Confident92 Ų9257.8 Ų57.835%0.34733%0.328SS..EExtended strand (participates in β ladder)trans-99.3145171.1-61.5172.9-74.7171.6-3.6108.8C170 F229 E231C170-R176 WeakPolarHBondContact O-CA 3.46Å; R176-F229 HydrophobicContact CB-CB 4.07Å; R176-F229 HydrophobicContact CB-CD2 3.92Å; R176-F229 HydrophobicContact CB-CG 4.22Å; R176-F229 WeakPolarHBondContact O-CD2 3.33Å; R176-F229 PolarHBondContact O-N 2.73Å; R176-E231 IonicContact NH2-OE1 3.93Å; R176-E231 PolarHBondContact NH2-OE1 2.81Å
177V87.3Confident80.1Confident1 Ų160 Ų601%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-137.1146.8178.1-61.10000110.5C170 L172 Y186 V227C170-V177 HydrophobicContact CB-CG2 3.81Å; C170-V177 PolarHBondContact N-O 3.02Å; C170-V177 WeakPolarHBondContact O-CG2 2.9Å; C170-V177 PolarHBondContact O-N 2.88Å; L172-V177 HydrophobicContact CB-CG2 4.34Å; V177-Y186 WeakPolarHBondContact CB-OH 3.48Å; V177-Y186 WeakPolarHBondContact CG1-OH 3.42Å; V177-Y186 HydrophobicContact CG2-CE2 4.02Å; V177-Y186 WeakPolarHBondContact CG2-OH 3Å; V177-V227 WeakPolarHBondContact CA-O 3.03Å
178L89.1Confident79.6Confident5 Ų558.7 Ų58.73%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-133.1140.3174.4179.969000109.1Y165 N168 Y169 F180 T226 V227 F229Y165-L178 HydrophobicContact CD2-CD2 4.5Å; Y165-L178 HydrophobicContact CG-CD2 4.24Å; N168-L178 HydrophobicContact CB-CD1 3.8Å; Y169-L178 HydrophobicContact CD1-CB 4.32Å; Y169-L178 HydrophobicContact CE1-CD2 4.42Å; L178-F180 HydrophobicContact CD2-CE1 4.41Å; L178-F180 HydrophobicContact CD2-CE2 3.47Å; L178-F180 VanDerWaalsContact CD2-CE2 3.47Å; L178-F180 HydrophobicContact CD2-CZ 3.38Å; L178-F180 HydrophobicContact CG-CD2 4.47Å; L178-F180 HydrophobicContact CG-CE2 3.78Å; L178-F180 HydrophobicContact CG-CZ 3.97Å; L178-T226 CarbonylContact O-C 3.54Å; L178-T226 WeakPolarHBondContact O-CA 3.21Å; L178-V227 HydrophobicContact CB-CB 4.24Å; L178-V227 PolarHBondContact N-O 3.38Å; L178-V227 PolarHBondContact O-N 2.63Å; L178-F229 HydrophobicContact CB-CE2 4.32Å
179H88Confident79.1Confident19 Ų1957.3 Ų57.39%0.08832%0.319CS..EExtended strand (participates in β ladder)trans-123136.8-176.4-61.1-66.9000111.1F184 Y186 L225 T226H179-F184 WeakPolarHBondContact CE1-CB 3.48Å; H179-Y186 AromaticContact CE1-CE2 3.97Å; H179-Y186 AromaticContact CE1-CZ 3.68Å; H179-Y186 PolarHBondContact CE1-OH 2.81Å; H179-Y186 AromaticContact NE2-CE2 3.43Å; H179-Y186 WeakPolarHBondContact NE2-CE2 3.48Å; H179-Y186 AromaticContact NE2-CZ 3.57Å; H179-Y186 PolarHBondContact NE2-OH 3.13Å; H179-L225 WeakPolarHBondContact CA-O 3.29Å; H179-T226 VanDerWaalsContact CE1-CG2 3.44Å; H179-T226 WeakPolarHBondContact CE1-CG2 3.4Å; H179-T226 PolarHBondContact ND1-OG1 3.11Å; H179-T226 VanDerWaalsContact ND1-OG1 3.16Å
180F89.9Confident78.9Confident3 Ų356.9 Ų56.91%0.01332%0.319CS..EExtended strand (participates in β ladder)trans-125.1149171.3-56.1-92000110.1Y165 L178 Y182 Q199 P200 I201 P202 L225 V227Y165-F180 HydrophobicContact CD2-CE1 4.04Å; Y165-F180 AromaticContact CD2-CZ 3.74Å; Y165-F180 HydrophobicContact CD2-CZ 3.74Å; Y165-F180 HydrophobicContact CE1-CE1 4.47Å; Y165-F180 AromaticContact CE2-CE1 3.89Å; Y165-F180 HydrophobicContact CE2-CE1 3.89Å; Y165-F180 AromaticContact CE2-CZ 3.96Å; Y165-F180 HydrophobicContact CE2-CZ 3.96Å; Y165-F180 HydrophobicContact CG-CE1 4.37Å; Y165-F180 HydrophobicContact CG-CZ 4.2Å; L178-F180 HydrophobicContact CD2-CE1 4.41Å; L178-F180 HydrophobicContact CD2-CE2 3.47Å; L178-F180 VanDerWaalsContact CD2-CE2 3.47Å; L178-F180 HydrophobicContact CD2-CZ 3.38Å; L178-F180 HydrophobicContact CG-CD2 4.47Å; L178-F180 HydrophobicContact CG-CE2 3.78Å; L178-F180 HydrophobicContact CG-CZ 3.97Å; F180-Y182 VanDerWaalsContact C-N 3.33Å; F180-Y182 PolarHBondContact O-N 3.18Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; F180-Q199 WeakPolarHBondContact CA-O 3.35Å; F180-Q199 HydrophobicContact CD1-CB 3.7Å; F180-Q199 HydrophobicContact CE1-CB 4.07Å; F180-Q199 VanDerWaalsContact CE1-OE1 3.26Å; F180-P200 WeakPolarHBondContact CD1-O 3.44Å; F180-I201 HydrophobicContact CB-CG1 4.1Å; F180-P202 HydrophobicContact CD1-CG 4Å; F180-P202 HydrophobicContact CE1-CG 3.67Å; F180-P202 HydrophobicContact CE2-CG 4.48Å; F180-P202 HydrophobicContact CZ-CG 3.92Å; F180-L225 HydrophobicContact CB-CB 4.24Å; F180-L225 HydrophobicContact CD2-CB 4.49Å; F180-L225 HydrophobicContact CD2-CD2 3.85Å; F180-L225 HydrophobicContact CD2-CG 4.15Å; F180-L225 HydrophobicContact CE2-CD2 4.41Å; F180-L225 PolarHBondContact N-O 3.05Å; F180-L225 PolarHBondContact O-N 2.88Å; F180-V227 HydrophobicContact CD2-CG2 4.37Å; F180-V227 HydrophobicContact CE2-CG2 3.9Å
181G86.8Confident78.8Confident16 Ų1654 Ų5417%0.16530%0.299CS..SBendtrans82.1-72.1-173.500000112.1P196 A197 Q199G181-P196 CarbonylContact O-C 3.57Å; G181-P196 WeakPolarHBondContact O-CA 3.37Å; G181-A197 PolarHBondContact O-N 2.98Å; G181-Q199 PolarHBondContact N-O 2.8Å
182Y84.9Confident79.1Confident74 Ų7450 Ų5029%0.2927%0.27SS..EExtended strand (participates in β ladder)trans-128.7140.7178.8-62.3-88.8000110.6F180 P191 Q224F180-Y182 VanDerWaalsContact C-N 3.33Å; F180-Y182 PolarHBondContact O-N 3.18Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; Y182-P191 HydrophobicContact CG-CB 4.43Å; Y182-Q224 HydrophobicContact CD2-CB 4.28Å; Y182-Q224 HydrophobicContact CD2-CG 4.39Å
183N80.7Confident79.5Confident48 Ų4853 Ų5326%0.25729%0.285SS..EExtended strand (participates in β ladder)trans-62.5154.7167.6-66.6-55.7000109.2P191 D192 K195 P196N183-P191 CarbonylContact O-C 3.45Å; N183-P191 WeakPolarHBondContact O-CA 3.46Å; N183-D192 HydrophobicContact CB-CB 4.15Å; N183-D192 PolarHBondContact O-N 2.73Å; N183-K195 PolarHBondContact ND2-O 3.42Å; N183-K195 VanDerWaalsContact ND2-O 3.09Å; N183-P196 PolarHBondContact ND2-O 3.35Å
184F78.6Confident79.7Confident24 Ų2454.2 Ų54.211%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-115.4123.3-179.8-160.6-91.2000110.4H179 Y186 N189 P191 I246H179-F184 WeakPolarHBondContact CE1-CB 3.48Å; F184-Y186 HydrophobicContact CB-CE2 4.49Å; F184-Y186 AromaticContact CD1-CD1 3.82Å; F184-Y186 HydrophobicContact CD1-CD1 3.82Å; F184-Y186 HydrophobicContact CD1-CD2 4.43Å; F184-Y186 AromaticContact CD1-CE1 3.74Å; F184-Y186 HydrophobicContact CD1-CE1 3.74Å; F184-Y186 HydrophobicContact CD1-CE2 4.36Å; F184-Y186 HydrophobicContact CD1-CG 4.19Å; F184-Y186 HydrophobicContact CE1-CD1 4.07Å; F184-Y186 HydrophobicContact CE1-CE1 4.15Å; F184-Y186 PolarHBondContact O-N 2.83Å; F184-N189 HydrophobicContact CE1-CB 4.49Å; F184-N189 WeakPolarHBondContact CE1-OD1 3.46Å; F184-N189 WeakPolarHBondContact CZ-O 3.34Å; F184-P191 HydrophobicContact CD2-CG 4.32Å; F184-P191 HydrophobicContact CE2-CG 4.36Å; F184-I246 HydrophobicContact CE2-CD1 4.09Å; F184-I246 HydrophobicContact CZ-CD1 4.5Å
185L79Confident79.7Confident67 Ų6751.3 Ų51.335%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-88.297.1179-63.8172.5000108.9S187 T188 N189 E190 D192L185-S187 PolarHBondContact O-N 2.79Å; L185-T188 WeakPolarHBondContact CB-OG1 3.39Å; L185-T188 PolarHBondContact O-N 3.03Å; L185-T188 VanDerWaalsContact O-N 3.12Å; L185-T188 PolarHBondContact O-OG1 3.4Å; L185-N189 WeakPolarHBondContact O-CA 2.93Å; L185-N189 PolarHBondContact O-N 2.65Å; L185-E190 PolarHBondContact N-O 2.66Å; L185-E190 PolarHBondContact O-N 3.43Å; L185-D192 HydrophobicContact CD1-CB 3.97Å; L185-D192 HydrophobicContact CD2-CB 4.35Å; L185-D192 HydrophobicContact CG-CB 3.88Å
186Y74.4Confident79.3Confident70 Ų7054 Ų5428%0.27529%0.29SS..THydrogen-bonded Turntrans-66.4-15.5179.5-67-78.6000114.5L172 V177 H179 F184L172-Y186 HydrophobicContact CD1-CD1 4.47Å; L172-Y186 HydrophobicContact CD1-CD2 3.85Å; L172-Y186 HydrophobicContact CD1-CE2 4.42Å; L172-Y186 HydrophobicContact CD1-CG 3.85Å; L172-Y186 HydrophobicContact CD2-CD1 3.33Å; L172-Y186 HydrophobicContact CD2-CD2 3.84Å; L172-Y186 HydrophobicContact CD2-CE1 3.35Å; L172-Y186 HydrophobicContact CD2-CE2 3.87Å; L172-Y186 HydrophobicContact CD2-CG 3.56Å; L172-Y186 HydrophobicContact CG-CD2 4.44Å; L172-Y186 HydrophobicContact CG-CG 4.38Å; V177-Y186 WeakPolarHBondContact CB-OH 3.48Å; V177-Y186 WeakPolarHBondContact CG1-OH 3.42Å; V177-Y186 HydrophobicContact CG2-CE2 4.02Å; V177-Y186 WeakPolarHBondContact CG2-OH 3Å; H179-Y186 AromaticContact CE1-CE2 3.97Å; H179-Y186 AromaticContact CE1-CZ 3.68Å; H179-Y186 PolarHBondContact CE1-OH 2.81Å; H179-Y186 AromaticContact NE2-CE2 3.43Å; H179-Y186 WeakPolarHBondContact NE2-CE2 3.48Å; H179-Y186 AromaticContact NE2-CZ 3.57Å; H179-Y186 PolarHBondContact NE2-OH 3.13Å; F184-Y186 HydrophobicContact CB-CE2 4.49Å; F184-Y186 AromaticContact CD1-CD1 3.82Å; F184-Y186 HydrophobicContact CD1-CD1 3.82Å; F184-Y186 HydrophobicContact CD1-CD2 4.43Å; F184-Y186 AromaticContact CD1-CE1 3.74Å; F184-Y186 HydrophobicContact CD1-CE1 3.74Å; F184-Y186 HydrophobicContact CD1-CE2 4.36Å; F184-Y186 HydrophobicContact CD1-CG 4.19Å; F184-Y186 HydrophobicContact CE1-CD1 4.07Å; F184-Y186 HydrophobicContact CE1-CE1 4.15Å; F184-Y186 PolarHBondContact O-N 2.83Å
187S69.2Low78.3Confident113 Ų11350.1 Ų50.179%0.7928%0.278SS*.THydrogen-bonded Turntrans-70.7-32.2172.5500000112.7L185L185-S187 PolarHBondContact O-N 2.79Å
188T68.2Low77.4Confident67 Ų6758.4 Ų58.441%0.41132%0.316SS..THydrogen-bonded Turntrans-109.7-9.5179.4570000112.7L185 E190L185-T188 WeakPolarHBondContact CB-OG1 3.39Å; L185-T188 PolarHBondContact O-N 3.03Å; L185-T188 VanDerWaalsContact O-N 3.12Å; L185-T188 PolarHBondContact O-OG1 3.4Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 VanDerWaalsContact O-CG 3.26Å; T188-E190 WeakPolarHBondContact O-CG 3.49Å
189N71.7Confident76.8Confident36 Ų3660 Ų6019%0.19332%0.323CS..THydrogen-bonded Turntrans57.641.7-172.1-153.547.3000113.1F184 L185 F240 S243F184-N189 HydrophobicContact CE1-CB 4.49Å; F184-N189 WeakPolarHBondContact CE1-OD1 3.46Å; F184-N189 WeakPolarHBondContact CZ-O 3.34Å; L185-N189 WeakPolarHBondContact O-CA 2.93Å; L185-N189 PolarHBondContact O-N 2.65Å; N189-F240 PolarHBondContact ND2-O 3.24Å; N189-S243 WeakPolarHBondContact O-CB 3.24Å
190E77.3Confident76.7Confident35 Ų3563.8 Ų63.816%0.16435%0.35CS..EExtended strand (participates in β ladder)trans-135152.8-175.5-45.3-160.4113.600113F68 L185 T188 S243 P244 L245F68-E190 WeakPolarHBondContact CE1-OE1 3.25Å; L185-E190 PolarHBondContact N-O 2.66Å; L185-E190 PolarHBondContact O-N 3.43Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 VanDerWaalsContact O-CG 3.26Å; T188-E190 WeakPolarHBondContact O-CG 3.49Å; E190-S243 WeakPolarHBondContact CB-OG 3.44Å; E190-S243 VanDerWaalsContact CG-OG 3.28Å; E190-S243 WeakPolarHBondContact CG-OG 2.86Å; E190-S243 PolarHBondContact OE1-OG 2.85Å; E190-P244 WeakPolarHBondContact OE1-CD 3.32Å; E190-L245 HydrophobicContact CB-CD1 4.24Å
191P77.8Confident76.8Confident10 Ų1064.6 Ų64.67%0.06535%0.354CS..EExtended strand (participates in β ladder)trans-61.3133.4164.9-19.832.2000112Y182 N183 F184 I193 L245 I246Y182-P191 HydrophobicContact CG-CB 4.43Å; N183-P191 CarbonylContact O-C 3.45Å; N183-P191 WeakPolarHBondContact O-CA 3.46Å; F184-P191 HydrophobicContact CD2-CG 4.32Å; F184-P191 HydrophobicContact CE2-CG 4.36Å; P191-I193 PolarHBondContact O-N 2.95Å; P191-L245 HydrophobicContact CG-CB 4.39Å; P191-I246 HydrophobicContact CG-CG1 4.05Å
192D82Confident77Confident24 Ų2464 Ų6413%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-7488.9170.6-167.1-15.4000110.1N183 L185 S194 K195N183-D192 HydrophobicContact CB-CB 4.15Å; N183-D192 PolarHBondContact O-N 2.73Å; L185-D192 HydrophobicContact CD1-CB 3.97Å; L185-D192 HydrophobicContact CD2-CB 4.35Å; L185-D192 HydrophobicContact CG-CB 3.88Å; D192-S194 PolarHBondContact O-N 3.49Å; D192-S194 WeakPolarHBondContact OD1-CA 3.34Å; D192-S194 WeakPolarHBondContact OD1-CB 3.42Å; D192-S194 PolarHBondContact OD1-N 3.31Å; D192-S194 PolarHBondContact OD1-OG 2.94Å; D192-K195 HydrophobicContact CB-CB 4.38Å; D192-K195 CarbonylContact O-C 2.97Å; D192-K195 PolarHBondContact O-N 3.41Å; D192-K195 VanDerWaalsContact O-N 3.15Å; D192-K195 VanDerWaalsContact O-O 3.11Å; D192-K195 PolarHBondContact OD1-N 3.41Å; D192-K195 WeakPolarHBondContact OD2-CB 3.47Å
193I78.7Confident77.3Confident116 Ų11665 Ų6560%0.59536%0.363SS*.EExtended strand (participates in β ladder)trans-64.8-19.3176.359.9171000113P191 K195 L245P191-I193 PolarHBondContact O-N 2.95Å; I193-K195 VanDerWaalsContact C-N 3.33Å; I193-L245 HydrophobicContact CG2-CD1 3.93Å; I193-L245 HydrophobicContact CG2-CD2 4.27Å
194S75.1Confident77.9Confident104 Ų10464.9 Ų64.973%0.72736%0.362SS*.EExtended strand (participates in β ladder)trans-79.8-20.7177.879.80000112.2D192D192-S194 PolarHBondContact O-N 3.49Å; D192-S194 WeakPolarHBondContact OD1-CA 3.34Å; D192-S194 WeakPolarHBondContact OD1-CB 3.42Å; D192-S194 PolarHBondContact OD1-N 3.31Å; D192-S194 PolarHBondContact OD1-OG 2.94Å
195K69.5Low78.6Confident125 Ų12564.7 Ų64.754%0.54336%0.364SS..EExtended strand (participates in β ladder)trans-135.488.9-176-160.6-179.5-177.6-1750110.7N183 D192 I193 A197N183-K195 PolarHBondContact ND2-O 3.42Å; N183-K195 VanDerWaalsContact ND2-O 3.09Å; D192-K195 HydrophobicContact CB-CB 4.38Å; D192-K195 CarbonylContact O-C 2.97Å; D192-K195 PolarHBondContact O-N 3.41Å; D192-K195 VanDerWaalsContact O-N 3.15Å; D192-K195 VanDerWaalsContact O-O 3.11Å; D192-K195 PolarHBondContact OD1-N 3.41Å; D192-K195 WeakPolarHBondContact OD2-CB 3.47Å; I193-K195 VanDerWaalsContact C-N 3.33Å; K195-A197 PolarHBondContact O-N 3.15Å
196P69.7Low79.2Confident84 Ų8464.5 Ų64.555%0.54536%0.363SS..EExtended strand (participates in β ladder)trans-48.7142.6169.1-20.130.1000109.8G181 N183G181-P196 CarbonylContact O-C 3.57Å; G181-P196 WeakPolarHBondContact O-CA 3.37Å; N183-P196 PolarHBondContact ND2-O 3.35Å
197A66Low80Confident11 Ų1167 Ų679%0.09138%0.377CS..  trans-58.5144.3170.600000108.1G181 K195 Q199G181-A197 PolarHBondContact O-N 2.98Å; K195-A197 PolarHBondContact O-N 3.15Å; A197-Q199 PolarHBondContact O-N 3.11Å
198E69Low81.1Confident176 Ų17662.1 Ų62.182%0.82234%0.342SS*.SBendtrans-57.7-21.7177.9-69.1-176.2171.900112.1
199Q77.1Confident82.2Confident37 Ų3759.5 Ų59.517%0.17333%0.326CS..SBendtrans-114.6127.5-173.8-59.4-166.3-9.500112.2Y165 N168 F180 G181 A197Y165-Q199 VanDerWaalsContact CD1-NE2 3.32Å; Y165-Q199 VanDerWaalsContact CE1-NE2 3.34Å; N168-Q199 PolarHBondContact ND2-NE2 3.27Å; F180-Q199 WeakPolarHBondContact CA-O 3.35Å; F180-Q199 HydrophobicContact CD1-CB 3.7Å; F180-Q199 HydrophobicContact CE1-CB 4.07Å; F180-Q199 VanDerWaalsContact CE1-OE1 3.26Å; G181-Q199 PolarHBondContact N-O 2.8Å; A197-Q199 PolarHBondContact O-N 3.11Å
200P85.9Confident83.1Confident100 Ų10063.9 Ų63.965%0.64934%0.343SS*.PPolyproline II helixtrans-67.5161.2170.531.2-34.9000110.2F180 P202F180-P200 WeakPolarHBondContact CD1-O 3.44Å; P200-P202 WeakPolarHBondContact O-CD 3.23Å
201I90.6Very high83.5Confident19 Ų1967 Ų6710%0.09735%0.353CS..PPolyproline II helixtrans-58.3126.2172.4-62.3176.4000108.7F180 C205 L206 P222 N223 L225F180-I201 HydrophobicContact CB-CG1 4.1Å; I201-C205 HydrophobicContact CG2-CB 3.73Å; I201-L206 HydrophobicContact CB-CD2 4.12Å; I201-L206 HydrophobicContact CB-CG 4.24Å; I201-L206 HydrophobicContact CG2-CD2 3.92Å; I201-L206 HydrophobicContact CG2-CG 3.89Å; I201-P222 WeakPolarHBondContact CD1-O 3.03Å; I201-N223 VanDerWaalsContact CD1-C 3.5Å; I201-L225 HydrophobicContact CD1-CB 4.41Å; I201-L225 HydrophobicContact CG1-CB 4.26Å; I201-L225 HydrophobicContact CG2-CD2 4.32Å
202P92.2Very high84.1Confident3 Ų366.9 Ų66.92%0.01935%0.352CS..PPolyproline II helixtrans-58.5145.7-177.4-28.336.3000112.9L161 Y165 F180 P200 L204 C205 L206L161-P202 HydrophobicContact CD1-CB 4.19Å; L161-P202 HydrophobicContact CD2-CB 3.64Å; L161-P202 HydrophobicContact CD2-CG 4.05Å; L161-P202 HydrophobicContact CG-CB 4.39Å; Y165-P202 HydrophobicContact CE2-CG 4.28Å; F180-P202 HydrophobicContact CD1-CG 4Å; F180-P202 HydrophobicContact CE1-CG 3.67Å; F180-P202 HydrophobicContact CE2-CG 4.48Å; F180-P202 HydrophobicContact CZ-CG 3.92Å; P200-P202 WeakPolarHBondContact O-CD 3.23Å; P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 3.29Å; P202-C205 WeakPolarHBondContact O-CB 3.38Å; P202-C205 PolarHBondContact O-N 2.7Å; P202-L206 PolarHBondContact O-N 2.98Å
203P91.8Very high84.4Confident97 Ų9772 Ų7263%0.6337%0.37SS*.Hα-helixtrans-53.1-40.1-179.3-29.235.7000114.3C205 L206 E207P203-C205 VanDerWaalsContact C-N 3.32Å; P203-C205 PolarHBondContact O-N 2.78Å; P203-L206 WeakPolarHBondContact O-CB 3.18Å; P203-L206 PolarHBondContact O-N 2.57Å; P203-L206 VanDerWaalsContact O-N 3.13Å; P203-E207 PolarHBondContact O-N 3.2Å
204L91.5Very high84.3Confident44 Ų4470.4 Ų70.423%0.2337%0.368CS..Hα-helixtrans-60.6-40.3177.5-17661.9000112.1D157 L158 L161 P202 E207 L208D157-L204 HydrophobicContact CB-CD2 3.9Å; L158-L204 HydrophobicContact CD2-CD2 3.84Å; L158-L204 HydrophobicContact CD2-CG 4.04Å; L158-L204 HydrophobicContact CG-CD2 4.1Å; L161-L204 HydrophobicContact CD2-CB 4.2Å; L161-L204 HydrophobicContact CD2-CD2 4.24Å; P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 3.29Å; L204-E207 PolarHBondContact O-N 3.22Å; L204-L208 PolarHBondContact O-N 2.93Å
205C93.3Very high84.3Confident21 Ų2169.6 Ų69.614%0.14236%0.356CS..Hα-helixtrans-68.7-39.9175.3-60.20000111.1I201 P202 P203 E207 L208 T209 L225I201-C205 HydrophobicContact CG2-CB 3.73Å; P202-C205 WeakPolarHBondContact O-CB 3.38Å; P202-C205 PolarHBondContact O-N 2.7Å; P203-C205 VanDerWaalsContact C-N 3.32Å; P203-C205 PolarHBondContact O-N 2.78Å; C205-E207 VanDerWaalsContact C-N 3.33Å; C205-E207 PolarHBondContact O-N 3.2Å; C205-L208 PolarHBondContact O-N 3.13Å; C205-T209 WeakPolarHBondContact O-CG2 3.47Å; C205-T209 PolarHBondContact O-N 3.31Å; C205-L225 HydrophobicContact CB-CD2 4.15Å
206L91.9Very high84.8Confident62 Ų6271.8 Ų71.833%0.32537%0.367SS..Hα-helixtrans-61.6-39.5176.2-70.5172.2000112I201 P202 P203 L208 T209 K210I201-L206 HydrophobicContact CB-CD2 4.12Å; I201-L206 HydrophobicContact CB-CG 4.24Å; I201-L206 HydrophobicContact CG2-CD2 3.92Å; I201-L206 HydrophobicContact CG2-CG 3.89Å; P202-L206 PolarHBondContact O-N 2.98Å; P203-L206 WeakPolarHBondContact O-CB 3.18Å; P203-L206 PolarHBondContact O-N 2.57Å; P203-L206 VanDerWaalsContact O-N 3.13Å; L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 PolarHBondContact O-N 3.41Å; L206-T209 WeakPolarHBondContact CA-OG1 3.38Å; L206-T209 PolarHBondContact O-N 2.97Å; L206-T209 PolarHBondContact O-OG1 2.65Å; L206-K210 WeakPolarHBondContact O-CG 2.83Å; L206-K210 PolarHBondContact O-N 3.33Å
207E91.5Very high85.1Confident124 Ų12469.7 Ų69.758%0.57935%0.352SS*.Hα-helixtrans-60.4-42.3174.9-73.6177.8-173.300112.4P203 L204 C205 T209 K210 R211P203-E207 PolarHBondContact O-N 3.2Å; L204-E207 PolarHBondContact O-N 3.22Å; C205-E207 VanDerWaalsContact C-N 3.33Å; C205-E207 PolarHBondContact O-N 3.2Å; E207-T209 PolarHBondContact O-N 3.2Å; E207-K210 PolarHBondContact O-N 2.9Å; E207-R211 PolarHBondContact O-N 3.4Å
208L92.6Very high86Confident9 Ų969.6 Ų69.65%0.04735%0.349CS..Hα-helixtrans-62.6-42.6175.4-66.4174.2000111.6F149 I150 L158 L204 C205 L206 K210 R211 M212 L253F149-L208 HydrophobicContact CE1-CD2 4.49Å; I150-L208 HydrophobicContact CG2-CD1 4.25Å; I150-L208 HydrophobicContact CG2-CD2 3.8Å; L158-L208 HydrophobicContact CD1-CD1 3.83Å; L158-L208 HydrophobicContact CD2-CD1 4.11Å; L158-L208 HydrophobicContact CG-CD1 4.42Å; L204-L208 PolarHBondContact O-N 2.93Å; C205-L208 PolarHBondContact O-N 3.13Å; L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 PolarHBondContact O-N 3.41Å; L208-K210 VanDerWaalsContact C-N 3.35Å; L208-K210 PolarHBondContact O-N 3.23Å; L208-R211 WeakPolarHBondContact O-CB 3.31Å; L208-R211 PolarHBondContact O-N 3.37Å; L208-M212 HydrophobicContact CB-CE 4.34Å; L208-M212 VanDerWaalsContact O-CG 3.31Å; L208-M212 WeakPolarHBondContact O-CG 3.18Å; L208-M212 PolarHBondContact O-N 2.63Å; L208-L253 HydrophobicContact CD1-CD2 3.98Å
209T91.6Very high86.8Confident12 Ų1268 Ų687%0.07434%0.342CS..Hα-helixtrans-66.6-35.5177.965.70000112.7C205 L206 E207 R211 M212 R213 L221 P222C205-T209 WeakPolarHBondContact O-CG2 3.47Å; C205-T209 PolarHBondContact O-N 3.31Å; L206-T209 WeakPolarHBondContact CA-OG1 3.38Å; L206-T209 PolarHBondContact O-N 2.97Å; L206-T209 PolarHBondContact O-OG1 2.65Å; E207-T209 PolarHBondContact O-N 3.2Å; T209-R211 VanDerWaalsContact C-N 3.33Å; T209-R211 PolarHBondContact O-N 2.86Å; T209-M212 WeakPolarHBondContact O-CB 3.35Å; T209-M212 PolarHBondContact O-N 3.26Å; T209-R213 PolarHBondContact O-N 3.44Å; T209-L221 WeakPolarHBondContact O-CD2 3.24Å; T209-P222 HydrophobicContact CG2-CG 3.38Å
210K90.5Very high87.3Confident128 Ų12873 Ų7356%0.55737%0.365SS*.Hα-helixtrans-62.7-40.9172-72.2172.3-177.2174.70111.3L206 E207 L208 R213 S214 L221L206-K210 WeakPolarHBondContact O-CG 2.83Å; L206-K210 PolarHBondContact O-N 3.33Å; E207-K210 PolarHBondContact O-N 2.9Å; L208-K210 VanDerWaalsContact C-N 3.35Å; L208-K210 PolarHBondContact O-N 3.23Å; K210-R213 PolarHBondContact O-N 2.82Å; K210-S214 PolarHBondContact O-N 3.26Å; K210-S214 PolarHBondContact O-OG 3.37Å; K210-L221 HydrophobicContact CG-CD1 4.47Å; K210-L221 HydrophobicContact CG-CD2 4.33Å
211R86.3Confident87.5Confident101 Ų10171.4 Ų71.438%0.38135%0.351SS..Hα-helixtrans-61.7-46.7173.7-178.5178.9175.4-156.2-5.4111.3F149 E207 L208 T209 R213 S214 L215F149-R211 HydrophobicContact CZ-CG 4.34Å; F149-R211 PolarHBondContact O-NH1 2.91Å; F149-R211 PolarHBondContact O-NH2 3.06Å; E207-R211 PolarHBondContact O-N 3.4Å; L208-R211 WeakPolarHBondContact O-CB 3.31Å; L208-R211 PolarHBondContact O-N 3.37Å; T209-R211 VanDerWaalsContact C-N 3.33Å; T209-R211 PolarHBondContact O-N 2.86Å; R211-R213 VanDerWaalsContact C-N 3.31Å; R211-R213 PolarHBondContact O-N 2.78Å; R211-S214 WeakPolarHBondContact CA-OG 3.2Å; R211-S214 PolarHBondContact O-N 3.36Å; R211-S214 PolarHBondContact O-OG 2.84Å; R211-L215 HydrophobicContact CG-CD1 3.99Å; R211-L215 WeakPolarHBondContact O-CG 3.36Å; R211-L215 PolarHBondContact O-N 2.96Å
212M89.3Confident87.5Confident8 Ų872.6 Ų72.64%0.03936%0.36CS..Hα-helixtrans-54.9-47.7176.1-64.3167.8-168.900111.2F149 L208 T209 L215 H216 L217 I218 V251 L281F149-M212 HydrophobicContact CD1-CE 4.37Å; F149-M212 HydrophobicContact CE1-CE 3.58Å; F149-M212 HydrophobicContact CE1-CG 3.98Å; F149-M212 HydrophobicContact CE2-CG 4.32Å; F149-M212 HydrophobicContact CZ-CE 4.11Å; F149-M212 HydrophobicContact CZ-CG 3.49Å; F149-M212 VanDerWaalsContact CZ-CG 3.49Å; L208-M212 HydrophobicContact CB-CE 4.34Å; L208-M212 VanDerWaalsContact O-CG 3.31Å; L208-M212 WeakPolarHBondContact O-CG 3.18Å; L208-M212 PolarHBondContact O-N 2.63Å; T209-M212 WeakPolarHBondContact O-CB 3.35Å; T209-M212 PolarHBondContact O-N 3.26Å; M212-L215 PolarHBondContact O-N 2.84Å; M212-H216 PolarHBondContact O-N 3.21Å; M212-L217 HydrophobicContact CB-CB 4.38Å; M212-L217 WeakPolarHBondContact O-CB 3.46Å; M212-L217 PolarHBondContact O-N 2.91Å; M212-I218 HydrophobicContact CB-CD1 3.65Å; M212-I218 HydrophobicContact CB-CG1 3.83Å; M212-I218 HydrophobicContact SD-CD1 4.27Å; M212-V251 HydrophobicContact SD-CG2 4.19Å; M212-L281 HydrophobicContact CE-CD1 3.42Å; M212-L281 VanDerWaalsContact CE-CD1 3.42Å; M212-L281 HydrophobicContact CE-CD2 3.84Å; M212-L281 HydrophobicContact CE-CG 4.27Å; M212-L281 HydrophobicContact CG-CD2 3.76Å; M212-L281 HydrophobicContact SD-CD1 4.14Å; M212-L281 HydrophobicContact SD-CD2 4Å
213R88Confident87.4Confident132 Ų13277.5 Ų77.550%0.49839%0.386SS..Hα-helixtrans-63.1-43.1177.1-175177.1171.6-177.6-1.2112.9T209 K210 R211 L215 H216 I218 L221T209-R213 PolarHBondContact O-N 3.44Å; K210-R213 PolarHBondContact O-N 2.82Å; R211-R213 VanDerWaalsContact C-N 3.31Å; R211-R213 PolarHBondContact O-N 2.78Å; R213-L215 PolarHBondContact O-N 3.05Å; R213-H216 PolarHBondContact O-N 3.09Å; R213-I218 HydrophobicContact CB-CG1 4.11Å; R213-L221 HydrophobicContact CB-CD2 4.01Å
214S76.2Confident87.2Confident81 Ų8175 Ų7557%0.56637%0.366SS*.Hα-helixtrans-64.1-26.5177.867.30000113.5K210 R211 H216K210-S214 PolarHBondContact O-N 3.26Å; K210-S214 PolarHBondContact O-OG 3.37Å; R211-S214 WeakPolarHBondContact CA-OG 3.2Å; R211-S214 PolarHBondContact O-N 3.36Å; R211-S214 PolarHBondContact O-OG 2.84Å; S214-H216 VanDerWaalsContact C-N 3.26Å; S214-H216 PolarHBondContact O-ND1 2.75Å
215L75.4Confident87.3Confident88 Ų8875.3 Ų75.346%0.46137%0.367SS..THydrogen-bonded Turntrans-87.35.1175.1-66.5173.3000112.4F149 R211 M212 R213 L217F149-L215 HydrophobicContact CE2-CD1 4.11Å; R211-L215 HydrophobicContact CG-CD1 3.99Å; R211-L215 WeakPolarHBondContact O-CG 3.36Å; R211-L215 PolarHBondContact O-N 2.96Å; M212-L215 PolarHBondContact O-N 2.84Å; R213-L215 PolarHBondContact O-N 3.05Å; L215-L217 HydrophobicContact CB-CD1 3.91Å; L215-L217 HydrophobicContact CB-CG 3.78Å; L215-L217 HydrophobicContact CD1-CD1 4.09Å; L215-L217 PolarHBondContact O-N 2.92Å
216H80.1Confident87.1Confident170 Ų17076.1 Ų76.179%0.78737%0.372SS*.THydrogen-bonded Turntrans56.830.4-176.6-52.786.7000113.5M212 R213 S214M212-H216 PolarHBondContact O-N 3.21Å; R213-H216 PolarHBondContact O-N 3.09Å; S214-H216 VanDerWaalsContact C-N 3.26Å; S214-H216 PolarHBondContact O-ND1 2.75Å
217L76.4Confident87.2Confident41 Ų4174.5 Ų74.522%0.21536%0.364CS..SBendtrans-85.1-23.8177.4-62.3177.3000112.8L146 F149 M212 L215 L281 I283L146-L217 HydrophobicContact CD1-CD1 3.35Å; L146-L217 HydrophobicContact CD1-CD2 3.75Å; L146-L217 HydrophobicContact CD1-CG 4.14Å; F149-L217 HydrophobicContact CE2-CD1 3.97Å; M212-L217 HydrophobicContact CB-CB 4.38Å; M212-L217 WeakPolarHBondContact O-CB 3.46Å; M212-L217 PolarHBondContact O-N 2.91Å; L215-L217 HydrophobicContact CB-CD1 3.91Å; L215-L217 HydrophobicContact CB-CG 3.78Å; L215-L217 HydrophobicContact CD1-CD1 4.09Å; L215-L217 PolarHBondContact O-N 2.92Å; L217-L281 HydrophobicContact CD1-CD2 4.24Å; L217-I283 HydrophobicContact CB-CD1 3.78Å; L217-I283 HydrophobicContact CD1-CD1 4.5Å; L217-I283 HydrophobicContact CD2-CD1 4.12Å; L217-I283 HydrophobicContact CG-CD1 4.34Å
218I85.4Confident87.1Confident9 Ų971.5 Ų71.55%0.04635%0.352CS..  trans-139.5147.4173.561.1-177.3000109M212 R213 Q220 E249 V251M212-I218 HydrophobicContact CB-CD1 3.65Å; M212-I218 HydrophobicContact CB-CG1 3.83Å; M212-I218 HydrophobicContact SD-CD1 4.27Å; R213-I218 HydrophobicContact CB-CG1 4.11Å; I218-Q220 WeakPolarHBondContact CD1-O 3.39Å; I218-E249 VanDerWaalsContact CA-OE1 3.31Å; I218-E249 WeakPolarHBondContact CA-OE1 3.41Å; I218-V251 HydrophobicContact CG2-CG1 3.46Å; I218-V251 VanDerWaalsContact CG2-CG1 3.46Å
219E86.2Confident87Confident142 Ų14272.8 Ų72.866%0.66436%0.358SS*.SBendtrans-81.7-42.2176-65.6-178.5176.900111.6E249E219-E249 PolarHBondContact N-OE1 3.3Å; E219-E249 PolarHBondContact N-OE2 3.28Å
220Q87.2Confident86.8Confident141 Ų14175 Ų7566%0.65937%0.365SS*.SBendtrans-114.8147.9-174.4-58.9-172.516.900112I218 E249I218-Q220 WeakPolarHBondContact CD1-O 3.39Å; Q220-E249 PolarHBondContact N-OE2 3.4Å
221L90.4Very high86.5Confident68 Ų6873.2 Ų73.236%0.35636%0.359SS..  trans-75.3128.5171.5-64.5176.6000108.8T209 K210 R213T209-L221 WeakPolarHBondContact O-CD2 3.24Å; K210-L221 HydrophobicContact CG-CD1 4.47Å; K210-L221 HydrophobicContact CG-CD2 4.33Å; R213-L221 HydrophobicContact CB-CD2 4.01Å
222P90.4Very high86.1Confident43 Ų4371.5 Ų71.528%0.27936%0.361SS..  trans-66.5140.7178.529-34000110I201 T209I201-P222 WeakPolarHBondContact CD1-O 3.03Å; T209-P222 HydrophobicContact CG2-CG 3.38Å
223N88.9Confident85.2Confident107 Ų10774.4 Ų74.457%0.57239%0.393SS*.SBendtrans-1113.4176.862.11.5000112.4I201I201-N223 VanDerWaalsContact CD1-C 3.5Å
224Q89.2Confident84.7Confident43 Ų4370 Ų7020%0.20138%0.378CS..  trans-133140.5175-165.5-83.9-15.700109.2Y182 T226Y182-Q224 HydrophobicContact CD2-CB 4.28Å; Y182-Q224 HydrophobicContact CD2-CG 4.39Å; Q224-T226 PolarHBondContact NE2-OG1 2.91Å
225L91.7Very high84.9Confident51 Ų5167.7 Ų67.727%0.26737%0.367SS..EExtended strand (participates in β ladder)trans-140.1130.8176.1170.866.6000109.6H179 F180 I201 C205 V227H179-L225 WeakPolarHBondContact CA-O 3.29Å; F180-L225 HydrophobicContact CB-CB 4.24Å; F180-L225 HydrophobicContact CD2-CB 4.49Å; F180-L225 HydrophobicContact CD2-CD2 3.85Å; F180-L225 HydrophobicContact CD2-CG 4.15Å; F180-L225 HydrophobicContact CE2-CD2 4.41Å; F180-L225 PolarHBondContact N-O 3.05Å; F180-L225 PolarHBondContact O-N 2.88Å; I201-L225 HydrophobicContact CD1-CB 4.41Å; I201-L225 HydrophobicContact CG1-CB 4.26Å; I201-L225 HydrophobicContact CG2-CD2 4.32Å; C205-L225 HydrophobicContact CB-CD2 4.15Å; L225-V227 HydrophobicContact CG-CG2 4.41Å
226T90.6Very high85.1Confident38 Ų3864.9 Ų64.923%0.23335%0.352CS..EExtended strand (participates in β ladder)trans-116.4127.6170.3-57.20000109.7L178 H179 Q224L178-T226 CarbonylContact O-C 3.54Å; L178-T226 WeakPolarHBondContact O-CA 3.21Å; H179-T226 VanDerWaalsContact CE1-CG2 3.44Å; H179-T226 WeakPolarHBondContact CE1-CG2 3.4Å; H179-T226 PolarHBondContact ND1-OG1 3.11Å; H179-T226 VanDerWaalsContact ND1-OG1 3.16Å; Q224-T226 PolarHBondContact NE2-OG1 2.91Å
227V92.5Very high85.1Confident28 Ų2861.6 Ų61.617%0.1735%0.346CS..EExtended strand (participates in β ladder)trans-102.2119172.5-174.50000107.9V162 V177 L178 F180 L225 F229V162-V227 HydrophobicContact CG1-CG1 3.91Å; V162-V227 HydrophobicContact CG2-CG1 4.14Å; V162-V227 HydrophobicContact CG2-CG2 4.46Å; V177-V227 WeakPolarHBondContact CA-O 3.03Å; L178-V227 HydrophobicContact CB-CB 4.24Å; L178-V227 PolarHBondContact N-O 3.38Å; L178-V227 PolarHBondContact O-N 2.63Å; F180-V227 HydrophobicContact CD2-CG2 4.37Å; F180-V227 HydrophobicContact CE2-CG2 3.9Å; L225-V227 HydrophobicContact CG-CG2 4.41Å; V227-F229 HydrophobicContact CB-CE2 4.46Å; V227-F229 HydrophobicContact CG1-CD2 4.49Å; V227-F229 HydrophobicContact CG1-CE2 3.95Å; V227-F229 HydrophobicContact CG1-CZ 4.08Å
228N91.3Very high85.3Confident61 Ų6163.6 Ų63.633%0.32636%0.356SS..EExtended strand (participates in β ladder)trans-103.8133.1177.5-68.4-81.4000109.7R175 Y230R175-N228 PolarHBondContact NH1-OD1 3.17Å; N228-Y230 HydrophobicContact CB-CD2 4.25Å; N228-Y230 HydrophobicContact CB-CE2 3.44Å; N228-Y230 VanDerWaalsContact CB-CE2 3.44Å
229F90.4Very high85.1Confident36 Ų3665 Ų6516%0.15836%0.362CS..EExtended strand (participates in β ladder)trans-108.8122.8174.6-57.8-103000109.1V162 Y169 R175 R176 L178 V227V162-F229 HydrophobicContact CG1-CE1 3.36Å; V162-F229 HydrophobicContact CG1-CE2 4.2Å; V162-F229 HydrophobicContact CG1-CZ 3.09Å; Y169-F229 AromaticContact CD1-CE2 3.99Å; Y169-F229 HydrophobicContact CD1-CE2 3.99Å; Y169-F229 HydrophobicContact CD1-CZ 4.1Å; Y169-F229 HydrophobicContact CE1-CE1 4.2Å; Y169-F229 AromaticContact CE1-CE2 3.64Å; Y169-F229 HydrophobicContact CE1-CE2 3.64Å; Y169-F229 AromaticContact CE1-CZ 3.27Å; Y169-F229 HydrophobicContact CE1-CZ 3.27Å; Y169-F229 HydrophobicContact CE2-CZ 4.27Å; Y169-F229 AromaticContact CZ-CE1 3.82Å; Y169-F229 AromaticContact CZ-CZ 3.35Å; Y169-F229 WeakPolarHBondContact OH-CZ 3.48Å; R175-F229 WeakPolarHBondContact CB-O 3.41Å; R176-F229 HydrophobicContact CB-CB 4.07Å; R176-F229 HydrophobicContact CB-CD2 3.92Å; R176-F229 HydrophobicContact CB-CG 4.22Å; R176-F229 WeakPolarHBondContact O-CD2 3.33Å; R176-F229 PolarHBondContact O-N 2.73Å; L178-F229 HydrophobicContact CB-CE2 4.32Å; V227-F229 HydrophobicContact CB-CE2 4.46Å; V227-F229 HydrophobicContact CG1-CD2 4.49Å; V227-F229 HydrophobicContact CG1-CE2 3.95Å; V227-F229 HydrophobicContact CG1-CZ 4.08Å
230Y87.2Confident84.8Confident59 Ų5960.8 Ų60.823%0.23134%0.342CS..  trans-120.4117.3176.1-56.7-77000108.9R175 N228 Q234 I236 I259 A298R175-Y230 PolarHBondContact NH1-OH 3.16Å; N228-Y230 HydrophobicContact CB-CD2 4.25Å; N228-Y230 HydrophobicContact CB-CE2 3.44Å; N228-Y230 VanDerWaalsContact CB-CE2 3.44Å; Y230-Q234 HydrophobicContact CD1-CB 4.47Å; Y230-I236 HydrophobicContact CE1-CB 4.17Å; Y230-I259 HydrophobicContact CD2-CD1 4.06Å; Y230-I259 HydrophobicContact CE2-CD1 4.47Å; Y230-I259 HydrophobicContact CG-CD1 4.42Å; Y230-A298 HydrophobicContact CG-CB 4.48Å
231E83.7Confident84.3Confident90 Ų9055.3 Ų55.342%0.42132%0.317SS..  trans-76.4156.6163.2-56.5-59.9154.100109.2R176 G233 Q234R176-E231 IonicContact NH2-OE1 3.93Å; R176-E231 PolarHBondContact NH2-OE1 2.81Å; E231-G233 PolarHBondContact O-N 3.45Å; E231-Q234 HydrophobicContact CB-CG 4.05Å; E231-Q234 VanDerWaalsContact N-OE1 3.15Å; E231-Q234 WeakPolarHBondContact O-CB 3.14Å; E231-Q234 WeakPolarHBondContact O-CG 3.39Å; E231-Q234 PolarHBondContact O-N 2.92Å
232P78.3Confident83.1Confident65 Ų6553.7 Ų53.742%0.42231%0.311SS..THydrogen-bonded Turntrans-49.5131.4173.9-28.635.8000113.2Q234 E300P232-Q234 VanDerWaalsContact C-N 3.3Å; P232-Q234 PolarHBondContact O-N 3.2Å; P232-E300 HydrophobicContact CB-CB 3.69Å; P232-E300 HydrophobicContact CB-CG 3.5Å; P232-E300 HydrophobicContact CG-CG 4.07Å
233G69.5Low82.2Confident69 Ų6951.7 Ų51.771%0.71130%0.298SS*.THydrogen-bonded Turntrans83.4-6.4-175.100000115.2E231 A298E231-G233 PolarHBondContact O-N 3.45Å; G233-A298 PolarHBondContact N-O 2.73Å
234Q78.6Confident81.3Confident41 Ų4149.4 Ų49.419%0.19229%0.289CS..  trans-86.4159.3169.3-57.3-171.5-15.800111K174 Y230 E231 P232 A297 A298K174-Q234 PolarHBondContact O-NE2 2.84Å; K174-Q234 PolarHBondContact O-OE1 2.75Å; Y230-Q234 HydrophobicContact CD1-CB 4.47Å; E231-Q234 HydrophobicContact CB-CG 4.05Å; E231-Q234 VanDerWaalsContact N-OE1 3.15Å; E231-Q234 WeakPolarHBondContact O-CB 3.14Å; E231-Q234 WeakPolarHBondContact O-CG 3.39Å; E231-Q234 PolarHBondContact O-N 2.92Å; P232-Q234 VanDerWaalsContact C-N 3.3Å; P232-Q234 PolarHBondContact O-N 3.2Å; Q234-A297 CarbonylContact O-C 3.54Å; Q234-A297 VanDerWaalsContact O-CA 3.28Å; Q234-A297 WeakPolarHBondContact O-CA 3.46Å; Q234-A298 PolarHBondContact O-N 3.22Å
235G79.1Confident80.9Confident32 Ų3250.9 Ų50.933%0.3330%0.298SS..EExtended strand (participates in β ladder)trans-163.2-177.317900000112.8G296G235-G296 CarbonylContact C-O 3.53Å; G235-G296 WeakPolarHBondContact CA-O 3.47Å
236I80.3Confident80.4Confident28 Ų2849.9 Ų49.914%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-117.8128.2172.8-171.2179.4000108.9R175 Y230 H239 G295 G296R175-I236 VanDerWaalsContact NH1-CG1 3.33Å; Y230-I236 HydrophobicContact CE1-CB 4.17Å; I236-H239 WeakPolarHBondContact CD1-CE1 3.49Å; I236-G295 WeakPolarHBondContact O-CA 3.37Å; I236-G296 PolarHBondContact N-O 3.35Å; I236-G296 PolarHBondContact O-N 3.1Å
237P80Confident80Confident102 Ų10250.2 Ų50.266%0.66230%0.304SS*.EExtended strand (participates in β ladder)trans-56.7153.8174.3-2433.9000112.3H239P237-H239 PolarHBondContact O-N 3.2Å; P237-H239 PolarHBondContact O-ND1 3.13Å
238L81.4Confident79.7Confident82 Ų8256.2 Ų56.243%0.42933%0.328SS..EExtended strand (participates in β ladder)trans-58.3120.1173.6-73169.3000110.9D262 V264 K293 H294L238-D262 HydrophobicContact CD2-CB 4.26Å; L238-D262 WeakPolarHBondContact CD2-O 3.37Å; L238-V264 HydrophobicContact CD1-CB 4.21Å; L238-V264 HydrophobicContact CD1-CG2 3.55Å; L238-V264 HydrophobicContact CD2-CB 4.31Å; L238-V264 HydrophobicContact CD2-CG2 3.62Å; L238-V264 HydrophobicContact CG-CG2 4.25Å; L238-K293 HydrophobicContact CB-CB 4.2Å; L238-K293 HydrophobicContact CB-CD 4.45Å; L238-K293 HydrophobicContact CD2-CB 4.42Å; L238-H294 WeakPolarHBondContact CA-O 3.29Å
239H80.9Confident79.5Confident39 Ų3955.5 Ų55.518%0.18132%0.323CS..EExtended strand (participates in β ladder)trans-147.2172.4-176.269-58.2000111I236 P237 D241 K293 H294I236-H239 WeakPolarHBondContact CD1-CE1 3.49Å; P237-H239 PolarHBondContact O-N 3.2Å; P237-H239 PolarHBondContact O-ND1 3.13Å; H239-D241 IonicContact CD2-OD1 3.86Å; H239-D241 IonicContact NE2-OD1 2.79Å; H239-D241 PolarHBondContact NE2-OD1 3.19Å; H239-K293 CarbonylContact O-C 3.55Å; H239-K293 WeakPolarHBondContact O-CA 3.27Å; H239-K293 WeakPolarHBondContact O-CB 3.3Å; H239-H294 AromaticContact CE1-CD2 3.55Å; H239-H294 AromaticContact CE1-NE2 3.34Å; H239-H294 PolarHBondContact CE1-NE2 3.39Å; H239-H294 VanDerWaalsContact CE1-NE2 3.34Å; H239-H294 PolarHBondContact CE1-O 3.15Å; H239-H294 PolarHBondContact N-O 3.42Å; H239-H294 PolarHBondContact ND1-O 3.1Å; H239-H294 AromaticContact NE2-NE2 3.5Å; H239-H294 PolarHBondContact O-N 3.47Å
240F79.8Confident79.6Confident54 Ų5455 Ų5524%0.23732%0.321CS..  trans-114.8136.2172-70.6-71.1000110N189 S242 P266 W292 K293N189-F240 PolarHBondContact ND2-O 3.24Å; F240-S242 PolarHBondContact O-N 3.16Å; F240-S242 PolarHBondContact O-OG 2.98Å; F240-P266 HydrophobicContact CE2-CG 3.96Å; F240-P266 HydrophobicContact CZ-CG 3.52Å; F240-W292 WeakPolarHBondContact CD1-O 3.25Å; F240-W292 WeakPolarHBondContact CE1-O 3.24Å; F240-K293 HydrophobicContact CD1-CG 3.96Å; F240-K293 HydrophobicContact CD2-CD 4.34Å; F240-K293 HydrophobicContact CD2-CG 3.65Å; F240-K293 HydrophobicContact CE1-CB 4.44Å; F240-K293 HydrophobicContact CE1-CG 3.74Å; F240-K293 HydrophobicContact CE2-CD 4.03Å; F240-K293 HydrophobicContact CE2-CG 3.41Å; F240-K293 VanDerWaalsContact CE2-CG 3.41Å; F240-K293 HydrophobicContact CG-CG 3.94Å; F240-K293 HydrophobicContact CZ-CD 4.43Å; F240-K293 HydrophobicContact CZ-CG 3.48Å; F240-K293 VanDerWaalsContact CZ-CG 3.48Å
241D76.8Confident79.9Confident25 Ų2554.1 Ų54.113%0.13432%0.322CS..  trans-80.163.5163.5-72.6-12.1000109.8H239 I246 I250 R289 H294H239-D241 IonicContact CD2-OD1 3.86Å; H239-D241 IonicContact NE2-OD1 2.79Å; H239-D241 PolarHBondContact NE2-OD1 3.19Å; D241-I246 HydrophobicContact CB-CD1 4.25Å; D241-I250 HydrophobicContact CB-CD1 3.3Å; D241-I250 WeakPolarHBondContact OD2-CD1 3.28Å; D241-R289 PolarHBondContact O-NH1 3.22Å; D241-R289 VanDerWaalsContact O-NH1 3.17Å; D241-H294 IonicContact OD2-CE1 3.26Å; D241-H294 IonicContact OD2-NE2 2.78Å
242S63.6Low80.5Confident34 Ų3451.8 Ų51.824%0.23832%0.316CS..  trans-83.4-13.9-16747.40000112.9F68 F240F68-S242 WeakPolarHBondContact CB-O 3.44Å; F68-S242 VanDerWaalsContact CD1-C 3.41Å; F68-S242 WeakPolarHBondContact CD1-O 3.15Å; F68-S242 WeakPolarHBondContact CD2-OG 3.09Å; F68-S242 WeakPolarHBondContact CE2-OG 3.3Å; F68-S242 WeakPolarHBondContact CG-O 3.32Å; F240-S242 PolarHBondContact O-N 3.16Å; F240-S242 PolarHBondContact O-OG 2.98Å
243S72.5Confident81.3Confident1 Ų151 Ų511%0.00731%0.307CS..  trans-51131.7-179.8-174.50000112.3F68 N189 E190 L245 I246F68-S243 VanDerWaalsContact CE1-CA 3.47Å; N189-S243 WeakPolarHBondContact O-CB 3.24Å; E190-S243 WeakPolarHBondContact CB-OG 3.44Å; E190-S243 VanDerWaalsContact CG-OG 3.28Å; E190-S243 WeakPolarHBondContact CG-OG 2.86Å; E190-S243 PolarHBondContact OE1-OG 2.85Å; S243-L245 PolarHBondContact O-N 3.23Å; S243-L245 WeakPolarHBondContact OG-CB 3.19Å; S243-L245 PolarHBondContact OG-N 3.01Å; S243-I246 PolarHBondContact O-N 3.42Å
244P70.6Confident82.5Confident59 Ų5948.3 Ų48.338%0.38328%0.278SS..THydrogen-bonded Turntrans-73.8-12.2179.143.2-40.9000110.8N69 E190 I246N69-P244 HydrophobicContact CB-CB 4.09Å; N69-P244 HydrophobicContact CB-CG 3.45Å; N69-P244 VanDerWaalsContact CB-CG 3.45Å; N69-P244 WeakPolarHBondContact ND2-CG 2.95Å; E190-P244 WeakPolarHBondContact OE1-CD 3.32Å; P244-I246 VanDerWaalsContact C-N 3.25Å
245L79.8Confident83.2Confident75 Ų7548.7 Ų48.739%0.39328%0.281SS..THydrogen-bonded Turntrans-78.6-15.7178.7-60.5175.5000111E190 P191 I193 S243E190-L245 HydrophobicContact CB-CD1 4.24Å; P191-L245 HydrophobicContact CG-CB 4.39Å; I193-L245 HydrophobicContact CG2-CD1 3.93Å; I193-L245 HydrophobicContact CG2-CD2 4.27Å; S243-L245 PolarHBondContact O-N 3.23Å; S243-L245 WeakPolarHBondContact OG-CB 3.19Å; S243-L245 PolarHBondContact OG-N 3.01Å
246I81.4Confident83.8Confident29 Ų2951.7 Ų51.715%0.14929%0.29CS..SBendtrans-90.4129.5173.5-56.1171.4000107.4F184 P191 D241 S243 P244 I250 R289F184-I246 HydrophobicContact CE2-CD1 4.09Å; F184-I246 HydrophobicContact CZ-CD1 4.5Å; P191-I246 HydrophobicContact CG-CG1 4.05Å; D241-I246 HydrophobicContact CB-CD1 4.25Å; S243-I246 PolarHBondContact O-N 3.42Å; P244-I246 VanDerWaalsContact C-N 3.25Å; I246-I250 HydrophobicContact CG2-CD1 3.81Å; I246-I250 HydrophobicContact CG2-CG1 3.82Å; I246-R289 VanDerWaalsContact C-NH2 3.33Å; I246-R289 PolarHBondContact O-NH2 2.74Å
247G82.6Confident84.1Confident46 Ų4652.3 Ų52.347%0.47430%0.303SS..  trans-63.2172.1-178.700000113.8E249 R289G247-E249 PolarHBondContact O-N 3.44Å; G247-R289 PolarHBondContact O-NE 2.88Å; G247-R289 PolarHBondContact O-NH2 2.82Å
248K85.2Confident84.4Confident153 Ų15350 Ų5067%0.66528%0.284SS*.SBendtrans-61.6-16.9-175-62.2179.7-179178.80115.3R289 Y290K248-R289 WeakPolarHBondContact O-CD 3.33Å; K248-Y290 WeakPolarHBondContact CA-OH 3.36Å
249E88.1Confident84.5Confident47 Ų4747.4 Ų47.422%0.2227%0.271CS..  trans-120.1128.8-174.1-54.1170.9117.500107.8I218 E219 Q220 G247 T285I218-E249 VanDerWaalsContact CA-OE1 3.31Å; I218-E249 WeakPolarHBondContact CA-OE1 3.41Å; E219-E249 PolarHBondContact N-OE1 3.3Å; E219-E249 PolarHBondContact N-OE2 3.28Å; Q220-E249 PolarHBondContact N-OE2 3.4Å; G247-E249 PolarHBondContact O-N 3.44Å; E249-T285 HydrophobicContact CB-CG2 4.33Å; E249-T285 HydrophobicContact CG-CG2 3.98Å
250I92.4Very high84.6Confident24 Ų2446.7 Ų46.712%0.12327%0.269CS..EExtended strand (participates in β ladder)trans-119128.8169.3-61.2177.7000107.2D241 I246 M284 R289D241-I250 HydrophobicContact CB-CD1 3.3Å; D241-I250 WeakPolarHBondContact OD2-CD1 3.28Å; I246-I250 HydrophobicContact CG2-CD1 3.81Å; I246-I250 HydrophobicContact CG2-CG1 3.82Å; I250-M284 HydrophobicContact CB-CB 4.46Å; I250-M284 HydrophobicContact CB-CE 4.03Å; I250-M284 HydrophobicContact CG2-CE 3.59Å; I250-M284 PolarHBondContact N-O 3.45Å; I250-M284 PolarHBondContact O-N 2.83Å; I250-R289 HydrophobicContact CD1-CG 3.98Å; I250-R289 HydrophobicContact CG1-CG 4.31Å
251V93.9Very high85Confident42 Ų4245.3 Ų45.326%0.25526%0.264SS..EExtended strand (participates in β ladder)trans-116.5139.6175.8-62.50000110.4M212 I218 L281 L282 I283M212-V251 HydrophobicContact SD-CG2 4.19Å; I218-V251 HydrophobicContact CG2-CG1 3.46Å; I218-V251 VanDerWaalsContact CG2-CG1 3.46Å; V251-L281 HydrophobicContact CB-CD1 4.12Å; V251-L282 CarbonylContact C-O 3.56Å; V251-L282 VanDerWaalsContact CA-O 3.27Å; V251-L282 WeakPolarHBondContact CA-O 3.36Å; V251-I283 HydrophobicContact CG1-CB 4.38Å; V251-I283 HydrophobicContact CG1-CG1 4Å; V251-I283 HydrophobicContact CG1-CG2 4.17Å
252S95.3Very high85.5Confident40 Ų4046.1 Ų46.128%0.2827%0.268SS..EExtended strand (participates in β ladder)trans-130.4123.5179.4-179.30000109.8L282S252-L282 PolarHBondContact N-O 3.07Å; S252-L282 PolarHBondContact O-N 2.9Å
253L95.7Very high86.6Confident48 Ų4844.5 Ų44.525%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-104.6117177.6-179.368.1000109.4F149 I150 L158 L208 L255 S280 L281F149-L253 HydrophobicContact CD1-CD1 4.17Å; I150-L253 HydrophobicContact CD1-CD1 4.35Å; I150-L253 HydrophobicContact CD1-CD2 4.34Å; I150-L253 HydrophobicContact CG1-CD1 4.44Å; I150-L253 HydrophobicContact CG2-CD1 4.1Å; I150-L253 HydrophobicContact CG2-CD2 4.31Å; L158-L253 HydrophobicContact CD1-CD2 3.72Å; L208-L253 HydrophobicContact CD1-CD2 3.98Å; L253-L255 HydrophobicContact CD2-CD2 4.14Å; L253-L255 HydrophobicContact CG-CD2 4.03Å; L253-S280 WeakPolarHBondContact CA-O 3.14Å; L253-S280 WeakPolarHBondContact CD1-O 3.47Å; L253-L281 HydrophobicContact CB-CD1 4.38Å
254S94.4Very high86.9Confident13 Ų1345.1 Ų45.19%0.09126%0.261CS..  trans-89.3134.3-179.9-63.60000111.2R279 S280S254-R279 WeakPolarHBondContact O-CA 3.45Å; S254-R279 PolarHBondContact O-N 3.01Å; S254-S280 PolarHBondContact N-O 3.16Å
255L93.6Very high87.4Confident49 Ų4944 Ų4426%0.25725%0.25SC..  trans-130.4156.3-176-53.8176.9000111.2I150 E155 L158 L253 G257I150-L255 HydrophobicContact CD1-CD2 3.34Å; E155-L255 HydrophobicContact CG-CB 4.37Å; E155-L255 HydrophobicContact CG-CD2 4.05Å; L158-L255 HydrophobicContact CB-CD1 3.87Å; L158-L255 HydrophobicContact CD1-CD1 4.2Å; L158-L255 HydrophobicContact CD1-CD2 3.82Å; L253-L255 HydrophobicContact CD2-CD2 4.14Å; L253-L255 HydrophobicContact CG-CD2 4.03Å; L255-G257 PolarHBondContact O-N 2.87Å
256N91.5Very high86.8Confident96 Ų9642.7 Ų42.751%0.51325%0.246SC..SBendtrans67.5-38.5169.3-59.1-42.9000116.7E155 S159 R278E155-N256 PolarHBondContact OE1-N 2.98Å; S159-N256 VanDerWaalsContact OG-CG 3.29Å; S159-N256 PolarHBondContact OG-ND2 3.22Å; S159-N256 PolarHBondContact OG-OD1 3.34Å; N256-R278 VanDerWaalsContact O-CZ 3.24Å; N256-R278 PolarHBondContact O-NH1 2.71Å; N256-R278 VanDerWaalsContact O-NH1 3.17Å
257G86.7Confident85.6Confident40 Ų4045.8 Ų45.841%0.41226%0.262SS..SBendtrans-149.2161.617800000111.6L255L255-G257 PolarHBondContact O-N 2.87Å
258D85.8Confident84.8Confident53 Ų5346 Ų4628%0.28325%0.254SS..  trans-82.5147.5176.6-42.8-26000109.6L275 L276 P277 R278 I301D258-L275 HydrophobicContact CB-CD1 4.04Å; D258-L276 WeakPolarHBondContact CA-O 2.91Å; D258-P277 VanDerWaalsContact OD1-CA 3.31Å; D258-P277 WeakPolarHBondContact OD1-CA 3.25Å; D258-R278 PolarHBondContact OD1-N 2.76Å; D258-I301 HydrophobicContact CB-CD1 3.54Å
259I84Confident83.8Confident29 Ų2942 Ų4215%0.14924%0.24CC..EExtended strand (participates in β ladder)trans-136.2146.6178.6-173.6162.9000109.9Y230 L276 A298Y230-I259 HydrophobicContact CD2-CD1 4.06Å; Y230-I259 HydrophobicContact CE2-CD1 4.47Å; Y230-I259 HydrophobicContact CG-CD1 4.42Å; I259-L276 HydrophobicContact CG2-CB 3.86Å; I259-L276 HydrophobicContact CG2-CD1 4.11Å; I259-L276 HydrophobicContact CG2-CG 4.37Å; I259-L276 PolarHBondContact N-O 3.25Å; I259-L276 WeakPolarHBondContact O-CA 3.03Å; I259-L276 WeakPolarHBondContact O-CB 2.95Å; I259-L276 PolarHBondContact O-N 3.37Å; I259-A298 HydrophobicContact CD1-CB 4.09Å
260V82.5Confident82.9Confident23 Ų2340.8 Ų40.814%0.13924%0.237CC..EExtended strand (participates in β ladder)trans-95.5127.6170.9-179.90000108.5L274 L275 V299V260-L274 WeakPolarHBondContact CA-O 3.43Å; V260-L275 HydrophobicContact CG2-CD1 3.95Å; V260-V299 HydrophobicContact CG2-CG2 4.27Å
261M89.5Confident82.2Confident26 Ų2641 Ų4113%0.12824%0.237CC..EExtended strand (participates in β ladder)trans-109.3118.8172.7-176173.7-74.400109.3F263 L274 L276 L282 H294 G295M261-F263 HydrophobicContact CB-CE2 4.29Å; M261-F263 HydrophobicContact CG-CD2 4.3Å; M261-F263 HydrophobicContact CG-CE2 3.71Å; M261-F263 HydrophobicContact CG-CZ 4.19Å; M261-F263 HydrophobicContact SD-CE2 3.75Å; M261-F263 HydrophobicContact SD-CZ 3.66Å; M261-L274 PolarHBondContact N-O 3.06Å; M261-L274 PolarHBondContact O-N 2.89Å; M261-L276 HydrophobicContact CB-CD1 3.78Å; M261-L276 HydrophobicContact CB-CG 4.16Å; M261-L276 HydrophobicContact CE-CD1 3.82Å; M261-L276 HydrophobicContact SD-CD1 4.18Å; M261-L282 HydrophobicContact CE-CD2 4.36Å; M261-L282 HydrophobicContact SD-CD2 3.6Å; M261-L282 VanDerWaalsContact SD-CD2 3.6Å; M261-H294 HydrophobicContact CG-CB 4.25Å; M261-H294 HydrophobicContact SD-CB 4.13Å; M261-G295 CarbonylContact C-O 3.42Å; M261-G295 VanDerWaalsContact CA-O 3.29Å; M261-G295 WeakPolarHBondContact CA-O 3.36Å; M261-G295 WeakPolarHBondContact CG-O 3.26Å
262D85.4Confident81.6Confident42 Ų4239.9 Ų39.923%0.22523%0.229CC..EExtended strand (participates in β ladder)trans-87.4127.3174.9-60.3-45000110L238 H271 S273 H294 G295L238-D262 HydrophobicContact CD2-CB 4.26Å; L238-D262 WeakPolarHBondContact CD2-O 3.37Å; D262-H271 IonicContact OD1-CE1 3.09Å; D262-H271 IonicContact OD1-NE2 3.7Å; D262-S273 VanDerWaalsContact OD1-CB 3.25Å; D262-S273 WeakPolarHBondContact OD1-CB 3.42Å; D262-S273 PolarHBondContact OD1-OG 3.37Å; D262-H294 CarbonylContact O-C 3.47Å; D262-H294 WeakPolarHBondContact O-CA 3.45Å; D262-G295 PolarHBondContact N-O 2.82Å; D262-G295 PolarHBondContact O-N 3.26Å
263F87.8Confident80.9Confident0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-104.4132.4169.7-72.8-97.2000108.8P140 L143 M261 H271 H272 L274 L282 M284 W292 K293 H294P140-F263 HydrophobicContact CG-CB 3.76Å; P140-F263 HydrophobicContact CG-CD1 4.18Å; P140-F263 HydrophobicContact CG-CG 3.98Å; L143-F263 HydrophobicContact CD1-CE1 3.77Å; L143-F263 HydrophobicContact CD1-CE2 4.05Å; L143-F263 HydrophobicContact CD1-CZ 3.45Å; L143-F263 VanDerWaalsContact CD1-CZ 3.45Å; L143-F263 HydrophobicContact CD2-CD2 4.12Å; L143-F263 HydrophobicContact CD2-CE1 4.47Å; L143-F263 HydrophobicContact CD2-CE2 3.91Å; L143-F263 HydrophobicContact CD2-CZ 4.11Å; L143-F263 HydrophobicContact CG-CZ 4.46Å; M261-F263 HydrophobicContact CB-CE2 4.29Å; M261-F263 HydrophobicContact CG-CD2 4.3Å; M261-F263 HydrophobicContact CG-CE2 3.71Å; M261-F263 HydrophobicContact CG-CZ 4.19Å; M261-F263 HydrophobicContact SD-CE2 3.75Å; M261-F263 HydrophobicContact SD-CZ 3.66Å; F263-H271 CarbonylContact O-C 3.51Å; F263-H271 WeakPolarHBondContact O-CA 3.2Å; F263-H272 HydrophobicContact CB-CB 4.08Å; F263-H272 WeakPolarHBondContact CB-O 3.39Å; F263-H272 PolarHBondContact N-O 3Å; F263-H272 PolarHBondContact O-N 3.34Å; F263-L274 HydrophobicContact CD2-CB 4.48Å; F263-L274 HydrophobicContact CE2-CB 4.35Å; F263-L274 HydrophobicContact CE2-CD2 4.35Å; F263-L282 HydrophobicContact CE2-CD2 4.49Å; F263-L282 HydrophobicContact CZ-CD2 4.12Å; F263-M284 HydrophobicContact CE1-CG 4.15Å; F263-M284 HydrophobicContact CE1-SD 3.57Å; F263-M284 VanDerWaalsContact CE1-SD 3.57Å; F263-M284 HydrophobicContact CZ-CG 4.17Å; F263-M284 HydrophobicContact CZ-SD 3.63Å; F263-W292 HydrophobicContact CB-CB 4.33Å; F263-W292 HydrophobicContact CB-CD2 4.45Å; F263-W292 HydrophobicContact CB-CE3 3.77Å; F263-W292 HydrophobicContact CB-CZ3 4.45Å; F263-W292 HydrophobicContact CD1-CB 4.06Å; F263-K293 CarbonylContact C-O 3.57Å; F263-K293 WeakPolarHBondContact CA-O 3.45Å; F263-H294 HydrophobicContact CD1-CB 3.91Å; F263-H294 HydrophobicContact CE1-CB 3.73Å; F263-H294 HydrophobicContact CG-CB 4.42Å; F263-H294 HydrophobicContact CZ-CB 4.09Å
264V78.4Confident80.3Confident14 Ų1437.6 Ų37.69%0.08521%0.214CC..EExtended strand (participates in β ladder)trans-134.7113.6-178.6-173.80000109.7L238 P266 N269 C270 H271 K293L238-V264 HydrophobicContact CD1-CB 4.21Å; L238-V264 HydrophobicContact CD1-CG2 3.55Å; L238-V264 HydrophobicContact CD2-CB 4.31Å; L238-V264 HydrophobicContact CD2-CG2 3.62Å; L238-V264 HydrophobicContact CG-CG2 4.25Å; V264-P266 WeakPolarHBondContact O-CD 3.1Å; V264-N269 HydrophobicContact CG1-CB 3.85Å; V264-C270 CarbonylContact C-O 3.12Å; V264-C270 VanDerWaalsContact CA-O 3.3Å; V264-C270 WeakPolarHBondContact CA-O 3.48Å; V264-H271 HydrophobicContact CB-CB 4.44Å; V264-H271 HydrophobicContact CG1-CB 4.31Å; V264-H271 HydrophobicContact CG2-CB 3.89Å; V264-H271 WeakPolarHBondContact CG2-CD2 3.49Å; V264-K293 PolarHBondContact N-O 3.5Å; V264-K293 PolarHBondContact O-N 2.84Å
265K82Confident79.8Confident35 Ų3539.4 Ų39.415%0.15222%0.223CC..EExtended strand (participates in β ladder)trans-77.799.5175.3-168.9168.1-170160.20109.3L267 T268 N269 C270 E291 W292K265-L267 PolarHBondContact O-N 3.03Å; K265-T268 HydrophobicContact CD-CG2 4.49Å; K265-T268 PolarHBondContact O-N 3.01Å; K265-T268 VanDerWaalsContact O-N 3.11Å; K265-N269 WeakPolarHBondContact O-CA 3.3Å; K265-N269 PolarHBondContact O-N 2.88Å; K265-C270 HydrophobicContact CB-CB 4.06Å; K265-C270 PolarHBondContact N-O 3.33Å; K265-E291 WeakPolarHBondContact CE-OE2 3.39Å; K265-E291 IonicContact NZ-OE2 3.46Å; K265-E291 PolarHBondContact NZ-OE2 3.23Å; K265-W292 HydrophobicContact CB-CD2 3.61Å; K265-W292 HydrophobicContact CB-CE3 3.75Å; K265-W292 HydrophobicContact CB-CG 4.18Å; K265-W292 HydrophobicContact CB-CH2 4.16Å; K265-W292 HydrophobicContact CB-CZ2 3.99Å; K265-W292 HydrophobicContact CB-CZ3 4.03Å; K265-W292 HydrophobicContact CD-CZ2 4.05Å; K265-W292 HydrophobicContact CG-CD2 4.38Å
266P65.6Low79.5Confident47 Ų4737.1 Ų37.131%0.30521%0.211SC..THydrogen-bonded Turntrans-58.6-32.7-164.9-26.739.3000113.8F240 V264 T268 E291 K293 Q317F240-P266 HydrophobicContact CE2-CG 3.96Å; F240-P266 HydrophobicContact CZ-CG 3.52Å; V264-P266 WeakPolarHBondContact O-CD 3.1Å; P266-T268 PolarHBondContact O-N 2.88Å; P266-E291 WeakPolarHBondContact CD-O 3.45Å; P266-K293 HydrophobicContact CG-CD 3.83Å; P266-K293 HydrophobicContact CG-CG 3.75Å; P266-Q317 PolarHBondContact O-NE2 2.89Å
267L58Low79.1Confident95 Ų9533.9 Ų33.950%0.49720%0.195SC..THydrogen-bonded Turntrans-66.1-35.6-178.2-68177.8000114Y46 K265 Q317Y46-L267 HydrophobicContact CE1-CD2 4.19Å; Y46-L267 HydrophobicContact CE2-CD2 4Å; K265-L267 PolarHBondContact O-N 3.03Å; L267-Q317 VanDerWaalsContact C-NE2 3.27Å; L267-Q317 PolarHBondContact O-NE2 3.13Å; L267-Q317 PolarHBondContact O-OE1 2.85Å
268T64.7Low79.3Confident50 Ų5036 Ų3631%0.30719%0.191SC..THydrogen-bonded Turntrans-109-2.4-180590000111.9K265 P266 C270 C316 Q317K265-T268 HydrophobicContact CD-CG2 4.49Å; K265-T268 PolarHBondContact O-N 3.01Å; K265-T268 VanDerWaalsContact O-N 3.11Å; P266-T268 PolarHBondContact O-N 2.88Å; T268-C270 VanDerWaalsContact CB-SG 3.58Å; T268-C270 PolarHBondContact O-N 2.77Å; T268-C270 WeakPolarHBondContact OG1-CB 3.06Å; T268-C270 PolarHBondContact OG1-N 2.8Å; T268-C270 VanDerWaalsContact OG1-N 3.16Å; T268-C270 PolarHBondContact OG1-SG 3.21Å; T268-C316 CarbonylContact O-C 3.6Å; T268-C316 WeakPolarHBondContact O-CA 3.42Å; T268-C316 WeakPolarHBondContact O-CB 3.39Å; T268-Q317 VanDerWaalsContact C-CG 3.46Å; T268-Q317 VanDerWaalsContact O-CG 3.3Å; T268-Q317 WeakPolarHBondContact O-CG 3.48Å; T268-Q317 PolarHBondContact O-N 3.12Å
269N64.2Low79.6Confident69 Ų6935.6 Ų35.637%0.36919%0.185SC..THydrogen-bonded Turntrans19.434.9-146.6108.6-128.4000119V264 K265 H271 C316V264-N269 HydrophobicContact CG1-CB 3.85Å; K265-N269 WeakPolarHBondContact O-CA 3.3Å; K265-N269 PolarHBondContact O-N 2.88Å; N269-H271 PolarHBondContact O-N 2.7Å; N269-C316 HydrophobicContact CB-CB 3.71Å; N269-C316 WeakPolarHBondContact ND2-CB 3.31Å; N269-C316 PolarHBondContact ND2-SG 3.12Å; N269-C316 WeakPolarHBondContact O-CB 3.37Å; N269-C316 PolarHBondContact O-N 3.44Å; N269-C316 PolarHBondContact OD1-SG 3.18Å
270C68.8Low79.9Confident22 Ų2234.2 Ų34.215%0.14918%0.178CC..EExtended strand (participates in β ladder)trans-45.5128.7156.9-710000108.1V264 K265 T268 W292 D315V264-C270 CarbonylContact C-O 3.12Å; V264-C270 VanDerWaalsContact CA-O 3.3Å; V264-C270 WeakPolarHBondContact CA-O 3.48Å; K265-C270 HydrophobicContact CB-CB 4.06Å; K265-C270 PolarHBondContact N-O 3.33Å; T268-C270 VanDerWaalsContact CB-SG 3.58Å; T268-C270 PolarHBondContact O-N 2.77Å; T268-C270 WeakPolarHBondContact OG1-CB 3.06Å; T268-C270 PolarHBondContact OG1-N 2.8Å; T268-C270 VanDerWaalsContact OG1-N 3.16Å; T268-C270 PolarHBondContact OG1-SG 3.21Å; C270-W292 HydrophobicContact CB-CH2 3.54Å; C270-W292 HydrophobicContact CB-CZ2 4.28Å; C270-W292 HydrophobicContact CB-CZ3 3.95Å; C270-W292 VanDerWaalsContact O-CZ3 3.29Å; C270-W292 WeakPolarHBondContact O-CZ3 3.45Å; C270-D315 VanDerWaalsContact CA-CG 3.45Å; C270-D315 WeakPolarHBondContact CA-OD1 3.42Å; C270-D315 HydrophobicContact CB-CB 4.19Å; C270-D315 VanDerWaalsContact CB-CG 3.46Å; C270-D315 WeakPolarHBondContact CB-OD1 3.13Å; C270-D315 PolarHBondContact SG-OD2 3.3Å; C270-D315 VanDerWaalsContact SG-OD2 3.35Å
271H77.8Confident80.3Confident29 Ų2933.1 Ų33.113%0.13417%0.172CC..EExtended strand (participates in β ladder)trans-133.5137.3-176.4151.8-58.9000109.3D262 F263 V264 N269 S273 V313 K314 D315D262-H271 IonicContact OD1-CE1 3.09Å; D262-H271 IonicContact OD1-NE2 3.7Å; F263-H271 CarbonylContact O-C 3.51Å; F263-H271 WeakPolarHBondContact O-CA 3.2Å; V264-H271 HydrophobicContact CB-CB 4.44Å; V264-H271 HydrophobicContact CG1-CB 4.31Å; V264-H271 HydrophobicContact CG2-CB 3.89Å; V264-H271 WeakPolarHBondContact CG2-CD2 3.49Å; N269-H271 PolarHBondContact O-N 2.7Å; H271-S273 PolarHBondContact CE1-OG 2.87Å; H271-V313 CarbonylContact O-C 3.58Å; H271-V313 WeakPolarHBondContact O-CA 3.41Å; H271-V313 WeakPolarHBondContact O-CG1 3.34Å; H271-K314 CarbonylContact C-O 3.45Å; H271-K314 VanDerWaalsContact CA-O 3.25Å; H271-K314 WeakPolarHBondContact CA-O 3.23Å; H271-K314 WeakPolarHBondContact CB-O 3.36Å; H271-K314 PolarHBondContact N-O 3Å; H271-K314 VanDerWaalsContact N-O 3.14Å; H271-K314 PolarHBondContact ND1-N 2.76Å; H271-K314 PolarHBondContact ND1-O 2.8Å; H271-K314 CarbonylContact O-C 3.55Å; H271-K314 WeakPolarHBondContact O-CA 3.21Å; H271-K314 PolarHBondContact O-N 2.89Å; H271-K314 VanDerWaalsContact O-O 3.13Å; H271-D315 PolarHBondContact N-OD1 2.95Å
272H81.8Confident80.5Confident18 Ų1831.9 Ų31.98%0.08317%0.166CC..EExtended strand (participates in β ladder)trans-136.7101.9-168.7-179.296.7000109.6S138 P140 F263 W292 V313S138-H272 WeakPolarHBondContact O-CB 3.14Å; S138-H272 PolarHBondContact O-ND1 3.45Å; P140-H272 HydrophobicContact CG-CB 4.07Å; F263-H272 HydrophobicContact CB-CB 4.08Å; F263-H272 WeakPolarHBondContact CB-O 3.39Å; F263-H272 PolarHBondContact N-O 3Å; F263-H272 PolarHBondContact O-N 3.34Å; H272-W292 HydrophobicContact CB-CH2 4.46Å; H272-W292 HydrophobicContact CB-CZ3 3.92Å; H272-V313 HydrophobicContact CB-CB 4.45Å; H272-V313 HydrophobicContact CB-CG1 3.87Å; H272-V313 HydrophobicContact CB-CG2 4.21Å; H272-V313 WeakPolarHBondContact CE1-CG2 3.37Å; H272-V313 WeakPolarHBondContact ND1-CG2 3.34Å
273S81.1Confident80.7Confident11 Ų1130.2 Ų30.28%0.07716%0.156CC..EExtended strand (participates in β ladder)trans-84.7121.5173-55.90000109.8D262 H271 P312D262-S273 VanDerWaalsContact OD1-CB 3.25Å; D262-S273 WeakPolarHBondContact OD1-CB 3.42Å; D262-S273 PolarHBondContact OD1-OG 3.37Å; H271-S273 PolarHBondContact CE1-OG 2.87Å; S273-P312 WeakPolarHBondContact CB-O 3.42Å; S273-P312 PolarHBondContact OG-O 2.75Å
274L83.8Confident81Confident28 Ų2830.3 Ų30.315%0.14716%0.157CC..EExtended strand (participates in β ladder)trans-112.7121.5178.7-177.464.6000109.8L143 L145 V260 M261 F263 L276 L282L143-L274 HydrophobicContact CD2-CD2 3.81Å; L143-L274 HydrophobicContact CG-CD2 4.24Å; L145-L274 HydrophobicContact CB-CD2 4.48Å; L145-L274 HydrophobicContact CD2-CD1 3.98Å; L145-L274 HydrophobicContact CD2-CD2 4.4Å; L145-L274 HydrophobicContact CD2-CG 4.29Å; V260-L274 WeakPolarHBondContact CA-O 3.43Å; M261-L274 PolarHBondContact N-O 3.06Å; M261-L274 PolarHBondContact O-N 2.89Å; F263-L274 HydrophobicContact CD2-CB 4.48Å; F263-L274 HydrophobicContact CE2-CB 4.35Å; F263-L274 HydrophobicContact CE2-CD2 4.35Å; L274-L276 HydrophobicContact CD2-CD2 3.65Å; L274-L276 HydrophobicContact CG-CD2 3.81Å; L274-L276 PolarHBondContact O-N 3.14Å; L274-L282 HydrophobicContact CD2-CD1 3.51Å
275L83Confident81.4Confident51 Ų5131.4 Ų31.427%0.26716%0.164SC..EExtended strand (participates in β ladder)trans-73.9122.4169.2-179.867.4000109.6L145 D258 V260 P277L145-L275 WeakPolarHBondContact CD2-O 3.32Å; D258-L275 HydrophobicContact CB-CD1 4.04Å; V260-L275 HydrophobicContact CG2-CD1 3.95Å; L275-P277 VanDerWaalsContact O-CD 3.23Å; L275-P277 WeakPolarHBondContact O-CD 3.46Å
276L87.4Confident81.6Confident1 Ų130 Ų301%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-102.994.7173-50.4-177.3000108.3L145 D258 I259 M261 L274 L282L145-L276 HydrophobicContact CD1-CD2 3.8Å; L145-L276 HydrophobicContact CD2-CD2 4.45Å; D258-L276 WeakPolarHBondContact CA-O 2.91Å; I259-L276 HydrophobicContact CG2-CB 3.86Å; I259-L276 HydrophobicContact CG2-CD1 4.11Å; I259-L276 HydrophobicContact CG2-CG 4.37Å; I259-L276 PolarHBondContact N-O 3.25Å; I259-L276 WeakPolarHBondContact O-CA 3.03Å; I259-L276 WeakPolarHBondContact O-CB 2.95Å; I259-L276 PolarHBondContact O-N 3.37Å; M261-L276 HydrophobicContact CB-CD1 3.78Å; M261-L276 HydrophobicContact CB-CG 4.16Å; M261-L276 HydrophobicContact CE-CD1 3.82Å; M261-L276 HydrophobicContact SD-CD1 4.18Å; L274-L276 HydrophobicContact CD2-CD2 3.65Å; L274-L276 HydrophobicContact CG-CD2 3.81Å; L274-L276 PolarHBondContact O-N 3.14Å; L276-L282 HydrophobicContact CD1-CD2 3.97Å; L276-L282 HydrophobicContact CD2-CB 4.2Å; L276-L282 HydrophobicContact CD2-CD1 4.18Å; L276-L282 HydrophobicContact CD2-CD2 3.9Å; L276-L282 HydrophobicContact CD2-CG 4.33Å
277P82.3Confident82.5Confident29 Ų2929.5 Ų29.519%0.18815%0.153CC..  trans-64.6155.5176.424.9-29.3000110.5T147 D258 L275 S280T147-P277 HydrophobicContact CG2-CG 3.77Å; D258-P277 VanDerWaalsContact OD1-CA 3.31Å; D258-P277 WeakPolarHBondContact OD1-CA 3.25Å; L275-P277 VanDerWaalsContact O-CD 3.23Å; L275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-S280 WeakPolarHBondContact O-CB 3.35Å; P277-S280 PolarHBondContact O-N 2.7Å; P277-S280 PolarHBondContact O-OG 3.41Å
278R91.7Very high83.9Confident84 Ų8425 Ų2532%0.31713%0.129SC..THydrogen-bonded Turntrans-53.7151.1170.371.8-176.6-61.9169.91.6110.7E155 N256 D258 S280E155-R278 IonicContact OE1-CZ 3.63Å; E155-R278 IonicContact OE1-NE 3.35Å; E155-R278 PolarHBondContact OE1-NE 3.24Å; E155-R278 IonicContact OE1-NH2 3.69Å; E155-R278 PolarHBondContact OE1-NH2 2.91Å; E155-R278 IonicContact OE2-CZ 3.6Å; E155-R278 VanDerWaalsContact OE2-CZ 3.27Å; E155-R278 IonicContact OE2-NE 3.54Å; E155-R278 PolarHBondContact OE2-NE 2.89Å; E155-R278 VanDerWaalsContact OE2-NE 3.15Å; E155-R278 IonicContact OE2-NH2 3.62Å; E155-R278 PolarHBondContact OE2-NH2 3.5Å; N256-R278 VanDerWaalsContact O-CZ 3.24Å; N256-R278 PolarHBondContact O-NH1 2.71Å; N256-R278 VanDerWaalsContact O-NH1 3.17Å; D258-R278 PolarHBondContact OD1-N 2.76Å; R278-S280 PolarHBondContact O-N 3.42Å
279R91.8Very high84.9Confident45 Ų4522.8 Ų22.817%0.1712%0.115CC..THydrogen-bonded Turntrans6311.9-174.7-51.1-179-58-86.3-16.1115D148 F149 I150 D152 E155 S254D148-R279 CarbonylContact C-O 3.34Å; D148-R279 IonicContact OD1-CZ 3.69Å; D148-R279 IonicContact OD1-NE 3.5Å; D148-R279 PolarHBondContact OD1-NE 3.39Å; D148-R279 IonicContact OD1-NH2 2.95Å; D148-R279 PolarHBondContact OD1-NH2 3.2Å; F149-R279 PolarHBondContact N-O 3.48Å; I150-R279 HydrophobicContact CD1-CB 4.37Å; I150-R279 HydrophobicContact CD1-CG 4.33Å; I150-R279 HydrophobicContact CG1-CB 3.59Å; I150-R279 HydrophobicContact CG1-CG 3.87Å; I150-R279 PolarHBondContact N-O 3.12Å; I150-R279 WeakPolarHBondContact O-CD 3.25Å; D152-R279 IonicContact OD1-CZ 2.78Å; D152-R279 IonicContact OD1-NE 3.49Å; D152-R279 IonicContact OD1-NH1 2.65Å; D152-R279 PolarHBondContact OD1-NH1 2.87Å; E155-R279 HydrophobicContact CB-CG 4.15Å; E155-R279 HydrophobicContact CG-CG 4.25Å; S254-R279 WeakPolarHBondContact O-CA 3.45Å; S254-R279 PolarHBondContact O-N 3.01Å
280S89.9Confident85.8Confident0 Ų025 Ų250%012%0.119CC..  trans-92.6147.9177.269.20000113.3L146 L253 S254 P277 R278L146-S280 CarbonylContact O-C 3.41Å; L146-S280 WeakPolarHBondContact O-CA 3.35Å; L146-S280 WeakPolarHBondContact O-CB 3.46Å; L253-S280 WeakPolarHBondContact CA-O 3.14Å; L253-S280 WeakPolarHBondContact CD1-O 3.47Å; S254-S280 PolarHBondContact N-O 3.16Å; P277-S280 WeakPolarHBondContact O-CB 3.35Å; P277-S280 PolarHBondContact O-N 2.7Å; P277-S280 PolarHBondContact O-OG 3.41Å; R278-S280 PolarHBondContact O-N 3.42Å
281L91.4Very high86.4Confident0 Ų027 Ų270%013%0.126CC..EExtended strand (participates in β ladder)trans-108.5116.4173.3-17969.3000109.3L146 F149 M212 L217 V251 L253 I283L146-L281 HydrophobicContact CB-CB 4.33Å; L146-L281 HydrophobicContact CD1-CD2 4.13Å; L146-L281 PolarHBondContact N-O 3.29Å; L146-L281 PolarHBondContact O-N 3.47Å; F149-L281 HydrophobicContact CB-CB 3.78Å; F149-L281 HydrophobicContact CD1-CB 3.91Å; F149-L281 HydrophobicContact CD1-CD2 4.02Å; F149-L281 HydrophobicContact CD1-CG 4.43Å; F149-L281 HydrophobicContact CD2-CB 4.31Å; F149-L281 HydrophobicContact CD2-CD2 3.98Å; F149-L281 HydrophobicContact CE1-CD2 3.98Å; F149-L281 HydrophobicContact CE2-CD2 3.92Å; F149-L281 HydrophobicContact CG-CB 3.72Å; F149-L281 HydrophobicContact CG-CD2 4.05Å; F149-L281 HydrophobicContact CG-CG 4.49Å; F149-L281 HydrophobicContact CZ-CD2 3.94Å; M212-L281 HydrophobicContact CE-CD1 3.42Å; M212-L281 VanDerWaalsContact CE-CD1 3.42Å; M212-L281 HydrophobicContact CE-CD2 3.84Å; M212-L281 HydrophobicContact CE-CG 4.27Å; M212-L281 HydrophobicContact CG-CD2 3.76Å; M212-L281 HydrophobicContact SD-CD1 4.14Å; M212-L281 HydrophobicContact SD-CD2 4Å; L217-L281 HydrophobicContact CD1-CD2 4.24Å; V251-L281 HydrophobicContact CB-CD1 4.12Å; L253-L281 HydrophobicContact CB-CD1 4.38Å; L281-I283 HydrophobicContact CD2-CD1 4.35Å; L281-I283 HydrophobicContact CD2-CG1 4.32Å; L281-I283 HydrophobicContact CG-CG1 4.23Å
282L94.4Very high86.8Confident0 Ų026.1 Ų26.10%012%0.122CC..EExtended strand (participates in β ladder)trans-94.2134.9169.8-179.764.4000109.6L143 V144 L145 V251 S252 M261 F263 L274 L276 M284L143-L282 HydrophobicContact CD1-CD1 3.58Å; L143-L282 HydrophobicContact CD1-CG 4.29Å; L143-L282 HydrophobicContact CG-CD1 4.05Å; V144-L282 CarbonylContact O-C 3.5Å; V144-L282 WeakPolarHBondContact O-CA 3.34Å; L145-L282 HydrophobicContact CB-CD1 4.41Å; L145-L282 HydrophobicContact CD1-CB 4.28Å; L145-L282 HydrophobicContact CD1-CD1 4.35Å; V251-L282 CarbonylContact C-O 3.56Å; V251-L282 VanDerWaalsContact CA-O 3.27Å; V251-L282 WeakPolarHBondContact CA-O 3.36Å; S252-L282 PolarHBondContact N-O 3.07Å; S252-L282 PolarHBondContact O-N 2.9Å; M261-L282 HydrophobicContact CE-CD2 4.36Å; M261-L282 HydrophobicContact SD-CD2 3.6Å; M261-L282 VanDerWaalsContact SD-CD2 3.6Å; F263-L282 HydrophobicContact CE2-CD2 4.49Å; F263-L282 HydrophobicContact CZ-CD2 4.12Å; L274-L282 HydrophobicContact CD2-CD1 3.51Å; L276-L282 HydrophobicContact CD1-CD2 3.97Å; L276-L282 HydrophobicContact CD2-CB 4.2Å; L276-L282 HydrophobicContact CD2-CD1 4.18Å; L276-L282 HydrophobicContact CD2-CD2 3.9Å; L276-L282 HydrophobicContact CD2-CG 4.33Å; L282-M284 HydrophobicContact CD2-CG 4.39Å; L282-M284 HydrophobicContact CD2-SD 4.34Å; L282-M284 HydrophobicContact CG-CG 4.31Å
283I90Very high87.1Confident6 Ų628.9 Ų28.93%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-122.8126.4177.1-53165.5000107.3V144 L146 L217 V251 L281 T285V144-I283 HydrophobicContact CB-CB 4.21Å; V144-I283 HydrophobicContact CB-CD1 4.46Å; V144-I283 HydrophobicContact CG1-CD1 4.39Å; V144-I283 PolarHBondContact N-O 2.79Å; V144-I283 PolarHBondContact O-N 2.55Å; L146-I283 HydrophobicContact CD1-CD1 4Å; L217-I283 HydrophobicContact CB-CD1 3.78Å; L217-I283 HydrophobicContact CD1-CD1 4.5Å; L217-I283 HydrophobicContact CD2-CD1 4.12Å; L217-I283 HydrophobicContact CG-CD1 4.34Å; V251-I283 HydrophobicContact CG1-CB 4.38Å; V251-I283 HydrophobicContact CG1-CG1 4Å; V251-I283 HydrophobicContact CG1-CG2 4.17Å; L281-I283 HydrophobicContact CD2-CD1 4.35Å; L281-I283 HydrophobicContact CD2-CG1 4.32Å; L281-I283 HydrophobicContact CG-CG1 4.23Å; I283-T285 HydrophobicContact CG2-CG2 4.09Å
284M92.2Very high87.5Confident3 Ų328.9 Ų28.92%0.01513%0.132CC..EExtended strand (participates in β ladder)trans-117.8116.8178.3-66176.5-72.900109.1L143 I250 F263 L282 R289L143-M284 HydrophobicContact CD1-CG 3.58Å; I250-M284 HydrophobicContact CB-CB 4.46Å; I250-M284 HydrophobicContact CB-CE 4.03Å; I250-M284 HydrophobicContact CG2-CE 3.59Å; I250-M284 PolarHBondContact N-O 3.45Å; I250-M284 PolarHBondContact O-N 2.83Å; F263-M284 HydrophobicContact CE1-CG 4.15Å; F263-M284 HydrophobicContact CE1-SD 3.57Å; F263-M284 VanDerWaalsContact CE1-SD 3.57Å; F263-M284 HydrophobicContact CZ-CG 4.17Å; F263-M284 HydrophobicContact CZ-SD 3.63Å; L282-M284 HydrophobicContact CD2-CG 4.39Å; L282-M284 HydrophobicContact CD2-SD 4.34Å; L282-M284 HydrophobicContact CG-CG 4.31Å; M284-R289 HydrophobicContact CB-CB 4.25Å
285T88.3Confident87.6Confident37 Ų3727.6 Ų27.623%0.22713%0.126CC..  trans-132.1173.1174.364.70000109.3G142 E249 I283 Q287 A288 R289G142-T285 WeakPolarHBondContact CA-O 3.48Å; G142-T285 WeakPolarHBondContact CA-OG1 3.46Å; G142-T285 PolarHBondContact O-N 2.79Å; G142-T285 PolarHBondContact O-OG1 3.46Å; E249-T285 HydrophobicContact CB-CG2 4.33Å; E249-T285 HydrophobicContact CG-CG2 3.98Å; I283-T285 HydrophobicContact CG2-CG2 4.09Å; T285-Q287 PolarHBondContact O-N 2.89Å; T285-A288 PolarHBondContact O-N 3.01Å; T285-R289 PolarHBondContact O-N 3.5Å
286G85.8Confident87Confident5 Ų525.7 Ų25.75%0.05212%0.119CC..Hα-helixtrans51.5-137.6170.600000113.8Y119 A288 R289 Y290Y119-G286 VanDerWaalsContact OH-CA 3.3Å; Y119-G286 WeakPolarHBondContact OH-CA 3.16Å; G286-A288 VanDerWaalsContact C-N 3.29Å; G286-A288 PolarHBondContact O-N 2.91Å; G286-R289 PolarHBondContact O-N 2.92Å; G286-Y290 WeakPolarHBondContact O-CD2 3.36Å; G286-Y290 PolarHBondContact O-N 3.29Å; G286-Y290 VanDerWaalsContact O-N 3.13Å
287Q85.4Confident85.6Confident37 Ų3727.9 Ų27.917%0.17314%0.137CC..Hα-helixtrans-57.4-42-176.7-57.4-165.921.700111.9E141 T285 R289 Y290 E291 W292E141-Q287 HydrophobicContact CB-CB 4.2Å; E141-Q287 HydrophobicContact CB-CG 4.18Å; E141-Q287 CarbonylContact O-C 3.51Å; E141-Q287 WeakPolarHBondContact O-CB 2.84Å; E141-Q287 PolarHBondContact O-N 3.38Å; E141-Q287 PolarHBondContact OE2-NE2 3.33Å; T285-Q287 PolarHBondContact O-N 2.89Å; Q287-R289 PolarHBondContact O-N 2.93Å; Q287-R289 VanDerWaalsContact O-N 3.14Å; Q287-Y290 PolarHBondContact O-N 3.45Å; Q287-Y290 VanDerWaalsContact O-N 3.14Å; Q287-E291 HydrophobicContact CB-CB 4.3Å; Q287-E291 HydrophobicContact CB-CG 4.29Å; Q287-E291 WeakPolarHBondContact O-CA 3.25Å; Q287-E291 WeakPolarHBondContact O-CB 3.48Å; Q287-E291 PolarHBondContact O-N 3.34Å; Q287-E291 PolarHBondContact OE1-OE2 2.9Å; Q287-W292 VanDerWaalsContact O-CD1 3.31Å; Q287-W292 PolarHBondContact O-N 2.91Å
288A86.2Confident84.4Confident0 Ų027.1 Ų27.10%013%0.133CC..Hα-helixtrans-55.6-35.2-178.200000113.4P140 E141 L143 T285 G286P140-A288 HydrophobicContact CB-CB 3.62Å; E141-A288 WeakPolarHBondContact O-CB 3.04Å; E141-A288 PolarHBondContact O-N 3.34Å; L143-A288 HydrophobicContact CB-CB 3.84Å; L143-A288 HydrophobicContact CD1-CB 4.12Å; T285-A288 PolarHBondContact O-N 3.01Å; G286-A288 VanDerWaalsContact C-N 3.29Å; G286-A288 PolarHBondContact O-N 2.91Å
289R86.6Confident82Confident4 Ų426.8 Ų26.82%0.01514%0.14CC..Hα-helixtrans-82.4-41.1177-175.7-169.8175.4-56.80.1112.7D241 I246 G247 K248 I250 M284 T285 G286 Q287D241-R289 PolarHBondContact O-NH1 3.22Å; D241-R289 VanDerWaalsContact O-NH1 3.17Å; I246-R289 VanDerWaalsContact C-NH2 3.33Å; I246-R289 PolarHBondContact O-NH2 2.74Å; G247-R289 PolarHBondContact O-NE 2.88Å; G247-R289 PolarHBondContact O-NH2 2.82Å; K248-R289 WeakPolarHBondContact O-CD 3.33Å; I250-R289 HydrophobicContact CD1-CG 3.98Å; I250-R289 HydrophobicContact CG1-CG 4.31Å; M284-R289 HydrophobicContact CB-CB 4.25Å; T285-R289 PolarHBondContact O-N 3.5Å; G286-R289 PolarHBondContact O-N 2.92Å; Q287-R289 PolarHBondContact O-N 2.93Å; Q287-R289 VanDerWaalsContact O-N 3.14Å
290Y82.1Confident79.4Confident114 Ų11430.4 Ų30.445%0.44716%0.159SC..Hα-helixtrans-99.8-28.6-165.7-69.7-71.4000114.6K248 G286 Q287K248-Y290 WeakPolarHBondContact CA-OH 3.36Å; G286-Y290 WeakPolarHBondContact O-CD2 3.36Å; G286-Y290 PolarHBondContact O-N 3.29Å; G286-Y290 VanDerWaalsContact O-N 3.13Å; Q287-Y290 PolarHBondContact O-N 3.45Å; Q287-Y290 VanDerWaalsContact O-N 3.14Å
291E82.4Confident76.8Confident65 Ų6534.9 Ų34.930%0.30418%0.182SC..THydrogen-bonded Turntrans-110.8-19.2-173.1-62-174.6-158.600113.4K265 P266 Q287K265-E291 WeakPolarHBondContact CE-OE2 3.39Å; K265-E291 IonicContact NZ-OE2 3.46Å; K265-E291 PolarHBondContact NZ-OE2 3.23Å; P266-E291 WeakPolarHBondContact CD-O 3.45Å; Q287-E291 HydrophobicContact CB-CB 4.3Å; Q287-E291 HydrophobicContact CB-CG 4.29Å; Q287-E291 WeakPolarHBondContact O-CA 3.25Å; Q287-E291 WeakPolarHBondContact O-CB 3.48Å; Q287-E291 PolarHBondContact O-N 3.34Å; Q287-E291 PolarHBondContact OE1-OE2 2.9Å
292W85.8Confident73.8Confident11 Ų1143 Ų434%0.04222%0.218CC..SBendtrans-106.6128.1179.5-63.871.5000110.8P140 F240 F263 K265 C270 H272 Q287P140-W292 HydrophobicContact CB-CD2 3.71Å; P140-W292 HydrophobicContact CB-CE3 4.36Å; P140-W292 HydrophobicContact CB-CG 3.81Å; P140-W292 HydrophobicContact CB-CZ2 4.14Å; P140-W292 HydrophobicContact CG-CD2 3.53Å; P140-W292 HydrophobicContact CG-CE3 3.66Å; P140-W292 HydrophobicContact CG-CG 4.02Å; P140-W292 HydrophobicContact CG-CH2 4.08Å; P140-W292 HydrophobicContact CG-CZ2 4Å; P140-W292 HydrophobicContact CG-CZ3 3.93Å; F240-W292 WeakPolarHBondContact CD1-O 3.25Å; F240-W292 WeakPolarHBondContact CE1-O 3.24Å; F263-W292 HydrophobicContact CB-CB 4.33Å; F263-W292 HydrophobicContact CB-CD2 4.45Å; F263-W292 HydrophobicContact CB-CE3 3.77Å; F263-W292 HydrophobicContact CB-CZ3 4.45Å; F263-W292 HydrophobicContact CD1-CB 4.06Å; K265-W292 HydrophobicContact CB-CD2 3.61Å; K265-W292 HydrophobicContact CB-CE3 3.75Å; K265-W292 HydrophobicContact CB-CG 4.18Å; K265-W292 HydrophobicContact CB-CH2 4.16Å; K265-W292 HydrophobicContact CB-CZ2 3.99Å; K265-W292 HydrophobicContact CB-CZ3 4.03Å; K265-W292 HydrophobicContact CD-CZ2 4.05Å; K265-W292 HydrophobicContact CG-CD2 4.38Å; C270-W292 HydrophobicContact CB-CH2 3.54Å; C270-W292 HydrophobicContact CB-CZ2 4.28Å; C270-W292 HydrophobicContact CB-CZ3 3.95Å; C270-W292 VanDerWaalsContact O-CZ3 3.29Å; C270-W292 WeakPolarHBondContact O-CZ3 3.45Å; H272-W292 HydrophobicContact CB-CH2 4.46Å; H272-W292 HydrophobicContact CB-CZ3 3.92Å; Q287-W292 VanDerWaalsContact O-CD1 3.31Å; Q287-W292 PolarHBondContact O-N 2.91Å
293K87.5Confident70.6Confident75 Ų7548.2 Ų48.233%0.32625%0.253SS..EExtended strand (participates in β ladder)trans-72.7134166.6-70.5-178179.3179.30108.2L238 H239 F240 F263 V264 P266L238-K293 HydrophobicContact CB-CB 4.2Å; L238-K293 HydrophobicContact CB-CD 4.45Å; L238-K293 HydrophobicContact CD2-CB 4.42Å; H239-K293 CarbonylContact O-C 3.55Å; H239-K293 WeakPolarHBondContact O-CA 3.27Å; H239-K293 WeakPolarHBondContact O-CB 3.3Å; F240-K293 HydrophobicContact CD1-CG 3.96Å; F240-K293 HydrophobicContact CD2-CD 4.34Å; F240-K293 HydrophobicContact CD2-CG 3.65Å; F240-K293 HydrophobicContact CE1-CB 4.44Å; F240-K293 HydrophobicContact CE1-CG 3.74Å; F240-K293 HydrophobicContact CE2-CD 4.03Å; F240-K293 HydrophobicContact CE2-CG 3.41Å; F240-K293 VanDerWaalsContact CE2-CG 3.41Å; F240-K293 HydrophobicContact CG-CG 3.94Å; F240-K293 HydrophobicContact CZ-CD 4.43Å; F240-K293 HydrophobicContact CZ-CG 3.48Å; F240-K293 VanDerWaalsContact CZ-CG 3.48Å; F263-K293 CarbonylContact C-O 3.57Å; F263-K293 WeakPolarHBondContact CA-O 3.45Å; V264-K293 PolarHBondContact N-O 3.5Å; V264-K293 PolarHBondContact O-N 2.84Å; P266-K293 HydrophobicContact CG-CD 3.83Å; P266-K293 HydrophobicContact CG-CG 3.75Å
294H89.3Confident67.5Low12 Ų1255.1 Ų55.16%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-112.5151172.461.9-85.8000110.8L238 H239 D241 M261 D262 F263L238-H294 WeakPolarHBondContact CA-O 3.29Å; H239-H294 AromaticContact CE1-CD2 3.55Å; H239-H294 AromaticContact CE1-NE2 3.34Å; H239-H294 PolarHBondContact CE1-NE2 3.39Å; H239-H294 VanDerWaalsContact CE1-NE2 3.34Å; H239-H294 PolarHBondContact CE1-O 3.15Å; H239-H294 PolarHBondContact N-O 3.42Å; H239-H294 PolarHBondContact ND1-O 3.1Å; H239-H294 AromaticContact NE2-NE2 3.5Å; H239-H294 PolarHBondContact O-N 3.47Å; D241-H294 IonicContact OD2-CE1 3.26Å; D241-H294 IonicContact OD2-NE2 2.78Å; M261-H294 HydrophobicContact CG-CB 4.25Å; M261-H294 HydrophobicContact SD-CB 4.13Å; D262-H294 CarbonylContact O-C 3.47Å; D262-H294 WeakPolarHBondContact O-CA 3.45Å; F263-H294 HydrophobicContact CD1-CB 3.91Å; F263-H294 HydrophobicContact CE1-CB 3.73Å; F263-H294 HydrophobicContact CG-CB 4.42Å; F263-H294 HydrophobicContact CZ-CB 4.09Å
295G85.7Confident64.5Low1 Ų161.4 Ų61.41%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-171.1178.7-175.500000109.7I236 M261 D262I236-G295 WeakPolarHBondContact O-CA 3.37Å; M261-G295 CarbonylContact C-O 3.42Å; M261-G295 VanDerWaalsContact CA-O 3.29Å; M261-G295 WeakPolarHBondContact CA-O 3.36Å; M261-G295 WeakPolarHBondContact CG-O 3.26Å; D262-G295 PolarHBondContact N-O 2.82Å; D262-G295 PolarHBondContact O-N 3.26Å
296G70.2Confident61.4Low11 Ų1169 Ų6911%0.11336%0.362CS..EExtended strand (participates in β ladder)trans159.7166.317500000113.2G235 I236G235-G296 CarbonylContact C-O 3.53Å; G235-G296 WeakPolarHBondContact CA-O 3.47Å; I236-G296 PolarHBondContact N-O 3.35Å; I236-G296 PolarHBondContact O-N 3.1Å
297A59.4Low58.6Low47 Ų4778 Ų7839%0.38840%0.403SS..EExtended strand (participates in β ladder)trans-116.8137177.800000110.7Q234 V299Q234-A297 CarbonylContact O-C 3.54Å; Q234-A297 VanDerWaalsContact O-CA 3.28Å; Q234-A297 WeakPolarHBondContact O-CA 3.46Å; A297-V299 PolarHBondContact O-N 3.17Å
298A55.7Low55.8Low12 Ų1285.4 Ų85.410%0.09944%0.435CS..  trans-61.4117.316500000108.8Y230 G233 Q234 I259Y230-A298 HydrophobicContact CG-CB 4.48Å; G233-A298 PolarHBondContact N-O 2.73Å; Q234-A298 PolarHBondContact O-N 3.22Å; I259-A298 HydrophobicContact CD1-CB 4.09Å
299V42.2Very low52.9Low78 Ų7888.8 Ų88.847%0.47346%0.463SS..  trans-85.7138.3-179.9-170.30000108.1V260 A297 I301V260-V299 HydrophobicContact CG2-CG2 4.27Å; A297-V299 PolarHBondContact O-N 3.17Å; V299-I301 VanDerWaalsContact C-N 3.35Å; V299-I301 HydrophobicContact CB-CG1 4.32Å; V299-I301 HydrophobicContact CG1-CG1 4.47Å; V299-I301 PolarHBondContact O-N 3.38Å
300E37.4Very low50.1Low120 Ų12089.7 Ų89.756%0.56147%0.471SS*.  trans-72.191170.4-149.9167.8-121.700108.2P232 F302P232-E300 HydrophobicContact CB-CB 3.69Å; P232-E300 HydrophobicContact CB-CG 3.5Å; P232-E300 HydrophobicContact CG-CG 4.07Å; E300-F302 HydrophobicContact CB-CE2 4.36Å; E300-F302 HydrophobicContact CG-CE2 3.97Å; E300-F302 HydrophobicContact CG-CZ 4.09Å; E300-F302 PolarHBondContact O-N 2.77Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.43Å
301I34.2Very low47.6Very low95 Ų9587.5 Ų87.549%0.48746%0.462SS..  trans-88.299.2175.6-56.1176.9000107.5D258 V299 S303D258-I301 HydrophobicContact CB-CD1 3.54Å; V299-I301 VanDerWaalsContact C-N 3.35Å; V299-I301 HydrophobicContact CB-CG1 4.32Å; V299-I301 HydrophobicContact CG1-CG1 4.47Å; V299-I301 PolarHBondContact O-N 3.38Å; I301-S303 PolarHBondContact O-N 2.74Å; I301-S303 VanDerWaalsContact O-N 3.12Å
302F29.9Very low45.1Very low171 Ų17184.7 Ų84.775%0.7545%0.45SS*.  trans-65109.3170.8-70.9-85.3000109.2E300 D304E300-F302 HydrophobicContact CB-CE2 4.36Å; E300-F302 HydrophobicContact CG-CE2 3.97Å; E300-F302 HydrophobicContact CG-CZ 4.09Å; E300-F302 PolarHBondContact O-N 2.77Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.43Å; F302-D304 PolarHBondContact O-N 2.9Å
303S25.7Very low42.2Very low108 Ų10885 Ų8576%0.75545%0.453SS*.  trans-78.5106.3172.359.90000110I301I301-S303 PolarHBondContact O-N 2.74Å; I301-S303 VanDerWaalsContact O-N 3.12Å
304D24.8Very low39.4Very low151 Ų15182.4 Ų82.481%0.80744%0.442SS*.  trans-155.3119.8140.4-96.4-26.4000108.7F302F302-D304 PolarHBondContact O-N 2.9Å
305T29.4Very low36.5Very low136 Ų13684.1 Ų84.183%0.83445%0.451SS*.SBendtrans70.7107.9169.7590000119
306Q24Very low33.7Very low196 Ų19686.2 Ų86.292%0.91647%0.466SS*.  trans3.4106.3155.2-59.2-176.90.100118.1
307E27.5Very low31.7Very low195 Ų19590.4 Ų90.491%0.91148%0.482SS*.  173.2107.7127.6-96.4179.2166.900113.5
308K25.9Very low30.1Very low191 Ų19193.1 Ų93.183%0.8349%0.494SS*.  trans10.394.7158.1-64177.3178.1175.20119.8R418K308-R418 PolarHBondContact O-NH2 2.9Å
309A26.6Very low28.6Very low71 Ų7196 Ų9659%0.58751%0.513SS*.  trans-76136.416100000111.9Y311A309-Y311 HydrophobicContact CB-CD2 4.45Å; A309-Y311 HydrophobicContact CB-CE2 4.14Å
310A27.2Very low27.8Very low24 Ų2498.3 Ų98.320%0.19853%0.527CS..  trans-133.5127.417100000109.9F417 R418A310-F417 WeakPolarHBondContact O-CA 3.44Å; A310-R418 HydrophobicContact CB-CB 3.75Å; A310-R418 HydrophobicContact CB-CG 4Å; A310-R418 PolarHBondContact O-N 3.48Å
311Y28.5Very low27.2Very low67 Ų6796.3 Ų96.326%0.26353%0.527SS..  trans-128.3146.2179.8-71.4-122.7000109.1A309 L408 P416A309-Y311 HydrophobicContact CB-CD2 4.45Å; A309-Y311 HydrophobicContact CB-CE2 4.14Å; Y311-L408 HydrophobicContact CE1-CD2 3.88Å; Y311-L408 WeakPolarHBondContact OH-CD1 3.01Å; Y311-L408 WeakPolarHBondContact OH-CD2 3.39Å; Y311-P416 WeakPolarHBondContact CA-O 3.49Å; Y311-P416 WeakPolarHBondContact CB-O 3.47Å; Y311-P416 HydrophobicContact CD1-CB 3.17Å; Y311-P416 HydrophobicContact CD1-CG 3.3Å; Y311-P416 WeakPolarHBondContact CD1-O 3.38Å; Y311-P416 WeakPolarHBondContact CD2-O 3.35Å; Y311-P416 HydrophobicContact CE1-CB 3.84Å; Y311-P416 HydrophobicContact CE1-CG 3.39Å; Y311-P416 WeakPolarHBondContact CE1-O 3.49Å; Y311-P416 HydrophobicContact CG-CB 3.9Å; Y311-P416 HydrophobicContact CG-CG 4.4Å
312P29.8Very low27Very low7 Ų797.5 Ų97.55%0.04554%0.538CS..  trans-132.6162.2-156.519.49.7000115S273 I415 F417S273-P312 WeakPolarHBondContact CB-O 3.42Å; S273-P312 PolarHBondContact OG-O 2.75Å; P312-I415 WeakPolarHBondContact CG-O 3.19Å; P312-F417 WeakPolarHBondContact CG-O 2.79Å
313V26.2Very low27Very low17 Ų1794.5 Ų94.510%0.10354%0.539CS..  trans-42.4139.8158.9-164.90000115.5S138 H271 H272S138-V313 WeakPolarHBondContact O-CG1 3.08Å; S138-V313 VanDerWaalsContact OG-CG1 3.32Å; S138-V313 WeakPolarHBondContact OG-CG1 3.18Å; H271-V313 CarbonylContact O-C 3.58Å; H271-V313 WeakPolarHBondContact O-CA 3.41Å; H271-V313 WeakPolarHBondContact O-CG1 3.34Å; H272-V313 HydrophobicContact CB-CB 4.45Å; H272-V313 HydrophobicContact CB-CG1 3.87Å; H272-V313 HydrophobicContact CB-CG2 4.21Å; H272-V313 WeakPolarHBondContact CE1-CG2 3.37Å; H272-V313 WeakPolarHBondContact ND1-CG2 3.34Å
314K29.4Very low27.6Very low20 Ų2093.4 Ų93.49%0.08753%0.528CS..  trans-148.4117.1168.5-164.4-105.8-66.6-1360112.4H271 R413 S414 Q442 E446H271-K314 CarbonylContact C-O 3.45Å; H271-K314 VanDerWaalsContact CA-O 3.25Å; H271-K314 WeakPolarHBondContact CA-O 3.23Å; H271-K314 WeakPolarHBondContact CB-O 3.36Å; H271-K314 PolarHBondContact N-O 3Å; H271-K314 VanDerWaalsContact N-O 3.14Å; H271-K314 PolarHBondContact ND1-N 2.76Å; H271-K314 PolarHBondContact ND1-O 2.8Å; H271-K314 CarbonylContact O-C 3.55Å; H271-K314 WeakPolarHBondContact O-CA 3.21Å; H271-K314 PolarHBondContact O-N 2.89Å; H271-K314 VanDerWaalsContact O-O 3.13Å; K314-R413 WeakPolarHBondContact CD-O 3.48Å; K314-R413 WeakPolarHBondContact CE-O 3.3Å; K314-R413 WeakPolarHBondContact CG-O 3.5Å; K314-R413 PolarHBondContact NZ-O 3.37Å; K314-S414 WeakPolarHBondContact CB-OG 3.49Å; K314-S414 WeakPolarHBondContact CE-OG 3.43Å; K314-Q442 HydrophobicContact CD-CG 4.23Å; K314-E446 VanDerWaalsContact CG-CD 3.46Å; K314-E446 HydrophobicContact CG-CG 4.07Å
315D28Very low28.9Very low48 Ų4887.2 Ų87.226%0.25750%0.495SS..  trans-87.5163.1-179.2-72.3-13.8000115.9S138 C270 H271 Q442S138-D315 WeakPolarHBondContact CB-OD2 3.49Å; C270-D315 VanDerWaalsContact CA-CG 3.45Å; C270-D315 WeakPolarHBondContact CA-OD1 3.42Å; C270-D315 HydrophobicContact CB-CB 4.19Å; C270-D315 VanDerWaalsContact CB-CG 3.46Å; C270-D315 WeakPolarHBondContact CB-OD1 3.13Å; C270-D315 PolarHBondContact SG-OD2 3.3Å; C270-D315 VanDerWaalsContact SG-OD2 3.35Å; H271-D315 PolarHBondContact N-OD1 2.95Å; D315-Q442 PolarHBondContact O-NE2 3.03Å
316C26.5Very low30.3Very low46 Ų4684.1 Ų84.131%0.31148%0.479SS..  trans-114179.9173.5-157.40000108.5T268 N269T268-C316 CarbonylContact O-C 3.6Å; T268-C316 WeakPolarHBondContact O-CA 3.42Å; T268-C316 WeakPolarHBondContact O-CB 3.39Å; N269-C316 HydrophobicContact CB-CB 3.71Å; N269-C316 WeakPolarHBondContact ND2-CB 3.31Å; N269-C316 PolarHBondContact ND2-SG 3.12Å; N269-C316 WeakPolarHBondContact O-CB 3.37Å; N269-C316 PolarHBondContact O-N 3.44Å; N269-C316 PolarHBondContact OD1-SG 3.18Å
317Q27.7Very low32.8Very low98 Ų9877.8 Ų77.846%0.45846%0.457SS..  cis-137.7175.113.9-87.4170.2-2.300107.5P266 L267 T268P266-Q317 PolarHBondContact O-NE2 2.89Å; L267-Q317 VanDerWaalsContact C-NE2 3.27Å; L267-Q317 PolarHBondContact O-NE2 3.13Å; L267-Q317 PolarHBondContact O-OE1 2.85Å; T268-Q317 VanDerWaalsContact C-CG 3.46Å; T268-Q317 VanDerWaalsContact O-CG 3.3Å; T268-Q317 WeakPolarHBondContact O-CG 3.48Å; T268-Q317 PolarHBondContact O-N 3.12Å
318V26.8Very low35.6Very low105 Ų10569.1 Ų69.164%0.63642%0.417SS*.  177.214782.3163.60000110.9
319S24.4Very low38.7Very low71 Ų7160 Ų6050%0.49738%0.378SS..  trans95.6111.9153.564.40000122.4
320T24.5Very low41.8Very low127 Ų12760.2 Ų60.278%0.77937%0.366SS*.SBendtrans65.781.5136.657.90000120.1
321S24.8Very low44.8Very low79 Ų7963.7 Ų63.755%0.55238%0.377SS*.  trans148.822148.7590000113.6S323 T324S321-S323 VanDerWaalsContact C-N 3.3Å; S321-S323 PolarHBondContact O-N 3.17Å; S321-T324 PolarHBondContact O-N 3.15Å; S321-T324 PolarHBondContact O-OG1 2.67Å; S321-T324 VanDerWaalsContact O-OG1 3.12Å
322T29.4Very low47.9Very low119 Ų11961.4 Ų61.473%0.7337%0.368SS*.Hα-helixtrans-61.7-6.8-150.338.50000119.5
323S29.9Very low51Low109 Ų10961.5 Ų61.576%0.76237%0.368SS*.Hα-helixtrans-79.1-30.5176.4132.20000113.2S321S321-S323 VanDerWaalsContact C-N 3.3Å; S321-S323 PolarHBondContact O-N 3.17Å
324T39Very low54.1Low84 Ų8461.8 Ų61.852%0.51537%0.368SS..Hα-helixtrans-89.1-24.9-177.435.90000113.2S321 S327 V328S321-T324 PolarHBondContact O-N 3.15Å; S321-T324 PolarHBondContact O-OG1 2.67Å; S321-T324 VanDerWaalsContact O-OG1 3.12Å; T324-S327 PolarHBondContact O-N 2.82Å; T324-S327 PolarHBondContact O-OG 2.91Å; T324-V328 WeakPolarHBondContact O-CG2 3.31Å; T324-V328 PolarHBondContact O-N 2.87Å
325T51.6Low57.1Low21 Ų2165.8 Ų65.813%0.12939%0.387CS..Hα-helixtrans-71.7-44.7-172.7-43.90000113.2S327 V328 S435 T436T325-S327 VanDerWaalsContact C-N 3.25Å; T325-S327 PolarHBondContact O-N 2.89Å; T325-V328 PolarHBondContact O-N 2.82Å; T325-S435 WeakPolarHBondContact CG2-OG 3.48Å; T325-T436 HydrophobicContact CG2-CG2 3.31Å
326S59.5Low60.2Low71 Ų7163.7 Ų63.750%0.49738%0.376SS..Hα-helixtrans-68.4-26.7178.7-172.80000112.4Q330S326-Q330 VanDerWaalsContact O-CB 3.25Å; S326-Q330 WeakPolarHBondContact O-CB 3.28Å; S326-Q330 PolarHBondContact O-N 2.99Å
327S74.9Confident63.5Low64 Ų6462.8 Ų62.845%0.44837%0.366SS..Hα-helixtrans-74.8-32.8179.868.20000111.8T324 T325 K331T324-S327 PolarHBondContact O-N 2.82Å; T324-S327 PolarHBondContact O-OG 2.91Å; T325-S327 VanDerWaalsContact C-N 3.25Å; T325-S327 PolarHBondContact O-N 2.89Å; S327-K331 VanDerWaalsContact O-CB 3.23Å; S327-K331 WeakPolarHBondContact O-CB 3.44Å; S327-K331 PolarHBondContact O-N 3.32Å
328V87Confident66.6Low12 Ų1260.7 Ų60.77%0.07336%0.358CS..Hα-helixtrans-61-55.5176.1169.10000111.4T324 T325 Q330 K331 Y332 F496 Y535T324-V328 WeakPolarHBondContact O-CG2 3.31Å; T324-V328 PolarHBondContact O-N 2.87Å; T325-V328 PolarHBondContact O-N 2.82Å; V328-Q330 PolarHBondContact O-N 3.46Å; V328-K331 PolarHBondContact O-N 3.47Å; V328-Y332 HydrophobicContact CG1-CD2 4.25Å; V328-Y332 WeakPolarHBondContact O-CB 3.16Å; V328-Y332 WeakPolarHBondContact O-CD2 3.02Å; V328-Y332 PolarHBondContact O-N 2.99Å; V328-F496 HydrophobicContact CB-CE2 4.36Å; V328-F496 HydrophobicContact CG1-CE2 3.59Å; V328-F496 HydrophobicContact CG1-CZ 4.2Å; V328-F496 HydrophobicContact CG2-CE2 3.76Å; V328-F496 HydrophobicContact CG2-CZ 4.21Å; V328-Y535 HydrophobicContact CG1-CD2 4.05Å; V328-Y535 HydrophobicContact CG1-CG 4Å
329E91.6Very high69.7Low1 Ų162.2 Ų62.21%0.00536%0.358CS..Hα-helixtrans-68.1-37.3-176.8-68176.8-154.200112K331 V333 Y334 L434 S435 R439E329-K331 PolarHBondContact O-N 2.92Å; E329-V333 CarbonylContact O-C 3.52Å; E329-V333 WeakPolarHBondContact O-CA 3.28Å; E329-V333 VanDerWaalsContact O-CB 3.24Å; E329-V333 WeakPolarHBondContact O-CB 3.38Å; E329-V333 PolarHBondContact O-N 3.33Å; E329-Y334 HydrophobicContact CB-CE1 4.11Å; E329-Y334 HydrophobicContact CB-CE2 4.35Å; E329-Y334 PolarHBondContact O-N 2.83Å; E329-Y334 PolarHBondContact OE2-OH 3.08Å; E329-L434 WeakPolarHBondContact OE1-CA 3.38Å; E329-L434 WeakPolarHBondContact OE2-CD2 3.18Å; E329-S435 WeakPolarHBondContact OE1-CB 3.43Å; E329-S435 PolarHBondContact OE1-N 3.38Å; E329-S435 PolarHBondContact OE1-OG 2.87Å; E329-R439 VanDerWaalsContact CD-NE 3.33Å; E329-R439 VanDerWaalsContact CD-NH2 3.33Å; E329-R439 WeakPolarHBondContact OE1-CD 3.43Å; E329-R439 IonicContact OE1-CZ 3.84Å; E329-R439 IonicContact OE1-NE 2.69Å; E329-R439 PolarHBondContact OE1-NE 3.43Å; E329-R439 IonicContact OE1-NH2 2.86Å; E329-R439 IonicContact OE2-CZ 2.73Å; E329-R439 IonicContact OE2-NE 3.53Å; E329-R439 PolarHBondContact OE2-NE 2.95Å; E329-R439 IonicContact OE2-NH2 3.38Å; E329-R439 PolarHBondContact OE2-NH2 3.19Å
330Q90.4Very high72.9Confident74 Ų7459.2 Ų59.235%0.34634%0.337SS..Iπ-helixtrans-59.7-47.9175.2-175.763.14600111.4S326 V328 Q335S326-Q330 VanDerWaalsContact O-CB 3.25Å; S326-Q330 WeakPolarHBondContact O-CB 3.28Å; S326-Q330 PolarHBondContact O-N 2.99Å; V328-Q330 PolarHBondContact O-N 3.46Å; Q330-Q335 WeakPolarHBondContact O-CB 3.49Å; Q330-Q335 VanDerWaalsContact O-CG 3.26Å; Q330-Q335 WeakPolarHBondContact O-CG 3.46Å; Q330-Q335 PolarHBondContact O-N 3.02Å; Q330-Q335 VanDerWaalsContact O-N 3.15Å
331K91.3Very high76.2Confident97 Ų9753.3 Ų53.342%0.42230%0.3SS..Iπ-helixtrans-78.4-46-175.9-174175.2178.9-176.30113S327 V328 E329 V336 E492S327-K331 VanDerWaalsContact O-CB 3.23Å; S327-K331 WeakPolarHBondContact O-CB 3.44Å; S327-K331 PolarHBondContact O-N 3.32Å; V328-K331 PolarHBondContact O-N 3.47Å; E329-K331 PolarHBondContact O-N 2.92Å; K331-V336 WeakPolarHBondContact O-CG2 3.42Å; K331-E492 IonicContact NZ-OE2 3.55Å
332Y94.1Very high79.3Confident19 Ų1953.6 Ų53.68%0.07530%0.296CS..Iπ-helixtrans-104.63.6-169.8-58.1-73000114V328 P495 L511 L533 R534 Y535V328-Y332 HydrophobicContact CG1-CD2 4.25Å; V328-Y332 WeakPolarHBondContact O-CB 3.16Å; V328-Y332 WeakPolarHBondContact O-CD2 3.02Å; V328-Y332 PolarHBondContact O-N 2.99Å; Y332-P495 HydrophobicContact CE2-CG 3.7Å; Y332-L511 HydrophobicContact CD1-CD1 4.33Å; Y332-L511 HydrophobicContact CD1-CD2 3.64Å; Y332-L511 HydrophobicContact CD2-CD2 4.26Å; Y332-L511 HydrophobicContact CE1-CD1 3.99Å; Y332-L511 HydrophobicContact CE1-CD2 4.14Å; Y332-L511 HydrophobicContact CG-CD2 3.71Å; Y332-L533 HydrophobicContact CD1-CB 4.22Å; Y332-L533 HydrophobicContact CE1-CB 4.43Å; Y332-R534 CarbonylContact O-C 3.58Å; Y332-R534 VanDerWaalsContact O-CA 3.22Å; Y332-R534 WeakPolarHBondContact O-CA 3.26Å; Y332-Y535 PolarHBondContact O-N 2.65Å
333V94.3Very high82.1Confident9 Ų948.1 Ų48.16%0.05526%0.262CS..Iπ-helixtrans-130.3-66.2173.7-174.80000110.5E329 V336 Y337 H433 Y535E329-V333 CarbonylContact O-C 3.52Å; E329-V333 WeakPolarHBondContact O-CA 3.28Å; E329-V333 VanDerWaalsContact O-CB 3.24Å; E329-V333 WeakPolarHBondContact O-CB 3.38Å; E329-V333 PolarHBondContact O-N 3.33Å; V333-V336 PolarHBondContact O-N 3.06Å; V333-Y337 HydrophobicContact CG1-CD2 3.9Å; V333-Y337 HydrophobicContact CG1-CE2 4.11Å; V333-Y337 WeakPolarHBondContact O-CD2 3.31Å; V333-Y337 PolarHBondContact O-N 2.99Å; V333-H433 HydrophobicContact CG1-CB 3.76Å; V333-H433 HydrophobicContact CG2-CB 4.03Å; V333-Y535 HydrophobicContact CG2-CD1 4.4Å
334Y91.8Very high85Confident23 Ų2344.4 Ų44.49%0.0923%0.232CC..Iπ-helixtrans-65.7-53.4-167.7-54-16.6000111.7E329 V336 Y337 D338 R392E329-Y334 HydrophobicContact CB-CE1 4.11Å; E329-Y334 HydrophobicContact CB-CE2 4.35Å; E329-Y334 PolarHBondContact O-N 2.83Å; E329-Y334 PolarHBondContact OE2-OH 3.08Å; Y334-V336 VanDerWaalsContact C-N 3.26Å; Y334-V336 PolarHBondContact O-N 2.66Å; Y334-Y337 PolarHBondContact O-N 2.75Å; Y334-D338 PolarHBondContact O-N 3.29Å; Y334-R392 HydrophobicContact CD1-CG 3.56Å; Y334-R392 HydrophobicContact CD2-CG 4.4Å; Y334-R392 HydrophobicContact CE1-CG 3.79Å; Y334-R392 HydrophobicContact CG-CG 3.93Å
335Q91.9Very high87.4Confident105 Ų10542.5 Ų42.549%0.49122%0.219SC..Hα-helixtrans-60.6-38.3176.1-73.7173.1-8.100111.7Q330 Q339Q330-Q335 WeakPolarHBondContact O-CB 3.49Å; Q330-Q335 VanDerWaalsContact O-CG 3.26Å; Q330-Q335 WeakPolarHBondContact O-CG 3.46Å; Q330-Q335 PolarHBondContact O-N 3.02Å; Q330-Q335 VanDerWaalsContact O-N 3.15Å; Q335-Q339 WeakPolarHBondContact O-CB 3.42Å; Q335-Q339 PolarHBondContact O-N 2.82Å
336V93.5Very high89.1Confident4 Ų446.7 Ų46.72%0.02423%0.232CC..Hα-helixtrans-66.4-48.4-178.3-176.40000111.4K331 V333 Y334 D338 Q339 I340 V532 L533 R534K331-V336 WeakPolarHBondContact O-CG2 3.42Å; V333-V336 PolarHBondContact O-N 3.06Å; Y334-V336 VanDerWaalsContact C-N 3.26Å; Y334-V336 PolarHBondContact O-N 2.66Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.48Å; V336-Q339 CarbonylContact O-C 3.47Å; V336-Q339 WeakPolarHBondContact O-CA 3.49Å; V336-Q339 WeakPolarHBondContact O-CB 3.2Å; V336-Q339 PolarHBondContact O-N 2.89Å; V336-Q339 VanDerWaalsContact O-N 3.08Å; V336-I340 HydrophobicContact CG1-CD1 4.45Å; V336-I340 HydrophobicContact CG1-CG1 4.45Å; V336-I340 HydrophobicContact CG1-CG2 4.1Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.06Å; V336-I340 WeakPolarHBondContact O-CG2 3.2Å; V336-I340 PolarHBondContact O-N 3.49Å; V336-V532 HydrophobicContact CB-CG1 4.02Å; V336-V532 HydrophobicContact CG1-CB 4.02Å; V336-V532 HydrophobicContact CG1-CG1 3.38Å; V336-V532 HydrophobicContact CG2-CG1 3.65Å; V336-L533 WeakPolarHBondContact CG2-O 3.36Å; V336-R534 HydrophobicContact CB-CG 3.99Å; V336-R534 HydrophobicContact CG1-CG 3.25Å; V336-R534 HydrophobicContact CG2-CG 4.38Å
337Y94.5Very high90.1Very high26 Ų2646 Ų4610%0.10223%0.225CC..Hα-helixtrans-65.2-35.4-178.8-85.6-73.1000112.7V333 Y334 I340 A341 F344 L396 H433 R534 Y536V333-Y337 HydrophobicContact CG1-CD2 3.9Å; V333-Y337 HydrophobicContact CG1-CE2 4.11Å; V333-Y337 WeakPolarHBondContact O-CD2 3.31Å; V333-Y337 PolarHBondContact O-N 2.99Å; Y334-Y337 PolarHBondContact O-N 2.75Å; Y337-I340 HydrophobicContact CD1-CD1 4.17Å; Y337-I340 HydrophobicContact CD1-CG1 4.27Å; Y337-I340 HydrophobicContact CE1-CD1 4.25Å; Y337-I340 PolarHBondContact O-N 2.93Å; Y337-A341 WeakPolarHBondContact O-CA 3.19Å; Y337-A341 WeakPolarHBondContact O-CB 3.04Å; Y337-A341 PolarHBondContact O-N 2.87Å; Y337-F344 HydrophobicContact CD1-CD2 4.48Å; Y337-F344 AromaticContact CE1-CD2 3.98Å; Y337-F344 HydrophobicContact CE1-CD2 3.98Å; Y337-F344 AromaticContact CE1-CE2 3.92Å; Y337-F344 HydrophobicContact CE1-CE2 3.92Å; Y337-L396 HydrophobicContact CD1-CD1 4.07Å; Y337-H433 AromaticContact CE2-CD2 3.86Å; Y337-H433 AromaticContact CE2-CE1 3.64Å; Y337-H433 AromaticContact CE2-NE2 3.34Å; Y337-H433 VanDerWaalsContact CE2-NE2 3.34Å; Y337-H433 WeakPolarHBondContact CE2-NE2 3.23Å; Y337-H433 AromaticContact CZ-CE1 3.94Å; Y337-H433 AromaticContact CZ-NE2 3.4Å; Y337-H433 PolarHBondContact OH-CE1 2.99Å; Y337-H433 VanDerWaalsContact OH-CE1 3.32Å; Y337-H433 PolarHBondContact OH-NE2 2.88Å; Y337-R534 PolarHBondContact OH-NH1 2.69Å; Y337-Y536 PolarHBondContact OH-OH 3.45Å
338D92.5Very high90.2Very high55 Ų5547.4 Ų47.429%0.29422%0.221SC..Hα-helixtrans-61.8-44.3169.1-79-14.7000111.4Y334 V336 I340 S393 L394 E395Y334-D338 PolarHBondContact O-N 3.29Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.48Å; D338-I340 PolarHBondContact O-N 3.16Å; D338-S393 WeakPolarHBondContact OD1-CA 2.98Å; D338-S393 VanDerWaalsContact OD1-CB 3.26Å; D338-S393 WeakPolarHBondContact OD1-CB 3.46Å; D338-S393 PolarHBondContact OD1-OG 3.11Å; D338-L394 PolarHBondContact OD1-N 2.7Å; D338-E395 HydrophobicContact CB-CG 4.09Å; D338-E395 PolarHBondContact OD1-N 3Å
339Q92.8Very high89.8Confident137 Ų13753.8 Ų53.864%0.6425%0.245SC*.Hα-helixtrans-64.8-37.7178.2-174-177.6300113.2Q335 V336Q335-Q339 WeakPolarHBondContact O-CB 3.42Å; Q335-Q339 PolarHBondContact O-N 2.82Å; V336-Q339 CarbonylContact O-C 3.47Å; V336-Q339 WeakPolarHBondContact O-CA 3.49Å; V336-Q339 WeakPolarHBondContact O-CB 3.2Å; V336-Q339 PolarHBondContact O-N 2.89Å; V336-Q339 VanDerWaalsContact O-N 3.08Å
340I92.5Very high89.4Confident8 Ų857.4 Ų57.44%0.04127%0.27CS..Hα-helixtrans-97.6-1.6-174.172.3163.3000114V336 Y337 D338 D342 S343 F344 W514 V532V336-I340 HydrophobicContact CG1-CD1 4.45Å; V336-I340 HydrophobicContact CG1-CG1 4.45Å; V336-I340 HydrophobicContact CG1-CG2 4.1Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.06Å; V336-I340 WeakPolarHBondContact O-CG2 3.2Å; V336-I340 PolarHBondContact O-N 3.49Å; Y337-I340 HydrophobicContact CD1-CD1 4.17Å; Y337-I340 HydrophobicContact CD1-CG1 4.27Å; Y337-I340 HydrophobicContact CE1-CD1 4.25Å; Y337-I340 PolarHBondContact O-N 2.93Å; D338-I340 PolarHBondContact O-N 3.16Å; I340-D342 VanDerWaalsContact C-N 3.29Å; I340-D342 PolarHBondContact O-N 3.42Å; I340-D342 VanDerWaalsContact O-N 3.16Å; I340-S343 CarbonylContact O-C 3.36Å; I340-S343 PolarHBondContact O-N 2.96Å; I340-F344 WeakPolarHBondContact O-CB 3.39Å; I340-F344 PolarHBondContact O-N 2.73Å; I340-W514 HydrophobicContact CD1-CD2 3.67Å; I340-W514 HydrophobicContact CD1-CE3 4.15Å; I340-W514 HydrophobicContact CD1-CG 3.87Å; I340-W514 HydrophobicContact CD1-CZ2 4.19Å; I340-W514 HydrophobicContact CG2-CG 4.3Å; I340-V532 HydrophobicContact CG2-CB 4.49Å; I340-V532 HydrophobicContact CG2-CG2 4.35Å
341A92.4Very high89.3Confident2 Ų256.9 Ų56.92%0.01727%0.269CS..Hα-helixtrans-48.7-46.8-170.700000113.5Y337 S343 F344 D345 E395 L396 I399Y337-A341 WeakPolarHBondContact O-CA 3.19Å; Y337-A341 WeakPolarHBondContact O-CB 3.04Å; Y337-A341 PolarHBondContact O-N 2.87Å; A341-S343 PolarHBondContact O-N 3.37Å; A341-F344 WeakPolarHBondContact O-CB 3.37Å; A341-F344 PolarHBondContact O-N 3.15Å; A341-D345 WeakPolarHBondContact O-CB 3.45Å; A341-D345 PolarHBondContact O-N 2.78Å; A341-E395 HydrophobicContact CB-CB 3.46Å; A341-E395 VanDerWaalsContact CB-CB 3.46Å; A341-L396 HydrophobicContact CB-CD2 3.91Å; A341-L396 HydrophobicContact CB-CG 3.99Å; A341-I399 HydrophobicContact CB-CD1 3.92Å
342D90.1Very high89.3Confident86 Ų8654.6 Ų54.646%0.4626%0.258SS..Hα-helixtrans-61.7-42.7177.9-92.33.3000113I340 R346I340-D342 VanDerWaalsContact C-N 3.29Å; I340-D342 PolarHBondContact O-N 3.42Å; I340-D342 VanDerWaalsContact O-N 3.16Å; D342-R346 WeakPolarHBondContact O-CG 3.34Å; D342-R346 VanDerWaalsContact O-CZ 3.27Å; D342-R346 PolarHBondContact O-N 3.12Å; D342-R346 PolarHBondContact O-NH1 2.85Å
343S88.9Confident89.3Confident3 Ų357.3 Ų57.32%0.02128%0.278CS..Hα-helixtrans-74.2-34.2177.3-175.80000111.9I340 A341 T347 S516I340-S343 CarbonylContact O-C 3.36Å; I340-S343 PolarHBondContact O-N 2.96Å; A341-S343 PolarHBondContact O-N 3.37Å; S343-T347 WeakPolarHBondContact O-CG2 3.36Å; S343-T347 PolarHBondContact O-N 3.18Å; S343-T347 PolarHBondContact O-OG1 2.79Å; S343-S516 WeakPolarHBondContact CB-OG 3.38Å; S343-S516 PolarHBondContact OG-OG 3.36Å
344F89.7Confident89.3Confident31 Ų3157.1 Ų57.114%0.13628%0.277CS..Hα-helixtrans-61.3-48174.7-178.8-85.7000110.1Y337 I340 A341 R346 T347 R348 N375 L396 W514Y337-F344 HydrophobicContact CD1-CD2 4.48Å; Y337-F344 AromaticContact CE1-CD2 3.98Å; Y337-F344 HydrophobicContact CE1-CD2 3.98Å; Y337-F344 AromaticContact CE1-CE2 3.92Å; Y337-F344 HydrophobicContact CE1-CE2 3.92Å; I340-F344 WeakPolarHBondContact O-CB 3.39Å; I340-F344 PolarHBondContact O-N 2.73Å; A341-F344 WeakPolarHBondContact O-CB 3.37Å; A341-F344 PolarHBondContact O-N 3.15Å; F344-R346 VanDerWaalsContact C-N 3.34Å; F344-R346 PolarHBondContact O-N 3.18Å; F344-T347 PolarHBondContact O-N 2.57Å; F344-T347 VanDerWaalsContact O-N 3.1Å; F344-T347 PolarHBondContact O-OG1 3.09Å; F344-R348 HydrophobicContact CD1-CB 4.36Å; F344-R348 HydrophobicContact CD1-CG 4.4Å; F344-R348 HydrophobicContact CD2-CG 3.9Å; F344-R348 HydrophobicContact CE1-CB 4.08Å; F344-R348 HydrophobicContact CE1-CG 4.29Å; F344-R348 HydrophobicContact CE2-CB 4.43Å; F344-R348 HydrophobicContact CE2-CG 3.8Å; F344-R348 HydrophobicContact CG-CG 4.21Å; F344-R348 HydrophobicContact CZ-CB 4.12Å; F344-R348 HydrophobicContact CZ-CG 4Å; F344-R348 WeakPolarHBondContact O-CB 3.22Å; F344-R348 WeakPolarHBondContact O-CG 3.36Å; F344-R348 PolarHBondContact O-N 3.29Å; F344-N375 HydrophobicContact CD1-CB 4.28Å; F344-N375 HydrophobicContact CE1-CB 4.29Å; F344-L396 HydrophobicContact CD1-CD2 3.69Å; F344-L396 HydrophobicContact CE1-CD2 4.29Å; F344-L396 HydrophobicContact CG-CD2 4.36Å; F344-W514 HydrophobicContact CB-CZ2 4.37Å; F344-W514 HydrophobicContact CD2-CH2 4.04Å
345D91.1Very high89.5Confident45 Ų4556 Ų5624%0.24127%0.273CS..Hα-helixtrans-58-43.9180-177.643000113A341 T347 N375 I399 K403A341-D345 WeakPolarHBondContact O-CB 3.45Å; A341-D345 PolarHBondContact O-N 2.78Å; D345-T347 VanDerWaalsContact C-N 3.25Å; D345-T347 PolarHBondContact O-N 2.74Å; D345-N375 HydrophobicContact CB-CB 4.15Å; D345-N375 PolarHBondContact O-ND2 2.97Å; D345-N375 VanDerWaalsContact OD1-CB 3.26Å; D345-N375 WeakPolarHBondContact OD1-CB 3.4Å; D345-N375 PolarHBondContact OD1-ND2 3.29Å; D345-N375 VanDerWaalsContact OD1-ND2 3.11Å; D345-I399 HydrophobicContact CB-CD1 3.93Å; D345-I399 HydrophobicContact CB-CG2 4.14Å; D345-K403 WeakPolarHBondContact OD1-CE 3.24Å; D345-K403 IonicContact OD1-NZ 3.49Å; D345-K403 PolarHBondContact OD1-NZ 3.02Å
346R86.3Confident89.7Confident108 Ų10853 Ų5341%0.40826%0.26SS..Hα-helixtrans-65.6-23.9178.6-70.3-171.8-64.6-86.23.7114.4D342 F344D342-R346 WeakPolarHBondContact O-CG 3.34Å; D342-R346 VanDerWaalsContact O-CZ 3.27Å; D342-R346 PolarHBondContact O-N 3.12Å; D342-R346 PolarHBondContact O-NH1 2.85Å; F344-R346 VanDerWaalsContact C-N 3.34Å; F344-R346 PolarHBondContact O-N 3.18Å
347T79.6Confident89.8Confident56 Ų5659.1 Ų59.134%0.34429%0.288SS..Hα-helixtrans-112.4-13.4-167.657.40000114.1S343 F344 D345S343-T347 WeakPolarHBondContact O-CG2 3.36Å; S343-T347 PolarHBondContact O-N 3.18Å; S343-T347 PolarHBondContact O-OG1 2.79Å; F344-T347 PolarHBondContact O-N 2.57Å; F344-T347 VanDerWaalsContact O-N 3.1Å; F344-T347 PolarHBondContact O-OG1 3.09Å; D345-T347 VanDerWaalsContact C-N 3.25Å; D345-T347 PolarHBondContact O-N 2.74Å
348R77.3Confident89.9Confident95 Ų9558.7 Ų58.736%0.35829%0.287SS..  trans-117.971.7-171.1-62.1-64.3-176.4153.4-1.6112.6F344 N375F344-R348 HydrophobicContact CD1-CB 4.36Å; F344-R348 HydrophobicContact CD1-CG 4.4Å; F344-R348 HydrophobicContact CD2-CG 3.9Å; F344-R348 HydrophobicContact CE1-CB 4.08Å; F344-R348 HydrophobicContact CE1-CG 4.29Å; F344-R348 HydrophobicContact CE2-CB 4.43Å; F344-R348 HydrophobicContact CE2-CG 3.8Å; F344-R348 HydrophobicContact CG-CG 4.21Å; F344-R348 HydrophobicContact CZ-CB 4.12Å; F344-R348 HydrophobicContact CZ-CG 4Å; F344-R348 WeakPolarHBondContact O-CB 3.22Å; F344-R348 WeakPolarHBondContact O-CG 3.36Å; F344-R348 PolarHBondContact O-N 3.29Å; R348-N375 PolarHBondContact O-ND2 3.01Å; R348-N375 VanDerWaalsContact O-ND2 3.09Å
349Y79.5Confident90Very high146 Ų14656.1 Ų56.157%0.57327%0.273SS*.  trans-110.4-18.217844.6-93.6000114.3L351Y349-L351 PolarHBondContact O-N 3.45Å
350S83.4Confident90.1Very high76 Ų7654.2 Ų54.253%0.53127%0.268SS..PPolyproline II helixtrans-66.9126.5-177.9-54.70000112.2
351L88.7Confident90.2Very high63 Ų6357 Ų5733%0.3330%0.298SS..PPolyproline II helixtrans-87.3138.6175.9-54.4173.2000109.6Y349 L356 K377 Y378Y349-L351 PolarHBondContact O-N 3.45Å; L351-L356 HydrophobicContact CB-CD1 3.97Å; L351-L356 HydrophobicContact CB-CD2 3.97Å; L351-L356 HydrophobicContact CB-CG 4.06Å; L351-L356 HydrophobicContact CD1-CD2 3.93Å; L351-L356 HydrophobicContact CG-CD2 4.44Å; L351-K377 HydrophobicContact CD2-CB 4.31Å; L351-K377 HydrophobicContact CD2-CG 4.4Å; L351-K377 VanDerWaalsContact CD2-O 3.29Å; L351-K377 WeakPolarHBondContact CD2-O 3.15Å; L351-Y378 HydrophobicContact CB-CE1 4.27Å; L351-Y378 HydrophobicContact CD2-CD1 3.66Å; L351-Y378 HydrophobicContact CD2-CE1 3.72Å
352W90.8Very high90.3Very high49 Ų4957.9 Ų57.919%0.18630%0.303CS..PPolyproline II helixtrans-88.2132.4-179.9-68-11.9000110.3G354 V355 L356 I428 A429 Y460 N565W352-G354 PolarHBondContact O-N 3.01Å; W352-V355 HydrophobicContact CB-CB 4.44Å; W352-V355 HydrophobicContact CB-CG2 3.98Å; W352-V355 HydrophobicContact CE3-CG2 4.39Å; W352-V355 PolarHBondContact O-N 2.97Å; W352-V355 VanDerWaalsContact O-N 3.11Å; W352-L356 PolarHBondContact O-N 3.46Å; W352-I428 HydrophobicContact CE3-CG2 3.68Å; W352-I428 HydrophobicContact CH2-CG2 4.42Å; W352-I428 HydrophobicContact CZ3-CG2 3.51Å; W352-A429 HydrophobicContact CH2-CB 4.3Å; W352-Y460 HydrophobicContact CD2-CD1 4.35Å; W352-Y460 HydrophobicContact CD2-CE1 4.32Å; W352-Y460 AromaticContact CE3-CD1 3.17Å; W352-Y460 HydrophobicContact CE3-CD1 3.17Å; W352-Y460 AromaticContact CE3-CE1 3.45Å; W352-Y460 HydrophobicContact CE3-CE1 3.45Å; W352-Y460 VanDerWaalsContact CE3-CE1 3.45Å; W352-Y460 AromaticContact CE3-CG 3.93Å; W352-Y460 HydrophobicContact CE3-CG 3.93Å; W352-Y460 HydrophobicContact CH2-CD1 4.4Å; W352-Y460 AromaticContact CZ3-CD1 3.22Å; W352-Y460 HydrophobicContact CZ3-CD1 3.22Å; W352-Y460 AromaticContact CZ3-CE1 3.99Å; W352-Y460 HydrophobicContact CZ3-CE1 3.99Å; W352-Y460 AromaticContact CZ3-CG 3.82Å; W352-Y460 HydrophobicContact CZ3-CG 3.82Å; W352-N565 VanDerWaalsContact CH2-OD1 3.26Å; W352-N565 WeakPolarHBondContact CH2-OD1 3.38Å
353P93.1Very high90.4Very high77 Ų7761.3 Ų61.350%0.531%0.313SS..Hα-helixtrans-56.3-43.5-173.6-26.234.4000114V355 L356 Q357P353-V355 VanDerWaalsContact C-N 3.32Å; P353-V355 PolarHBondContact O-N 3.2Å; P353-L356 WeakPolarHBondContact O-CB 3.44Å; P353-L356 PolarHBondContact O-N 2.99Å; P353-L356 VanDerWaalsContact O-N 3.16Å; P353-Q357 PolarHBondContact O-N 2.89Å
354G94.6Very high90.5Very high4 Ų467.6 Ų67.64%0.04134%0.342CS..Hα-helixtrans-65.5-33.5178.600000113.1W352 Q357 F358 Y460 E562W352-G354 PolarHBondContact O-N 3.01Å; G354-Q357 PolarHBondContact O-N 2.93Å; G354-F358 PolarHBondContact O-N 3.16Å; G354-Y460 VanDerWaalsContact CA-OH 3.24Å; G354-Y460 WeakPolarHBondContact CA-OH 3.42Å; G354-E562 PolarHBondContact N-OE1 3.29Å; G354-E562 PolarHBondContact N-OE2 3.47Å
355V96.5Very high90.5Very high0 Ų071.7 Ų71.70%037%0.366CS..Hα-helixtrans-66.3-42.2172-175.20000110.8W352 P353 Q357 F358 L359 Y378 L426 I428 L458 Y460W352-V355 HydrophobicContact CB-CB 4.44Å; W352-V355 HydrophobicContact CB-CG2 3.98Å; W352-V355 HydrophobicContact CE3-CG2 4.39Å; W352-V355 PolarHBondContact O-N 2.97Å; W352-V355 VanDerWaalsContact O-N 3.11Å; P353-V355 VanDerWaalsContact C-N 3.32Å; P353-V355 PolarHBondContact O-N 3.2Å; V355-Q357 VanDerWaalsContact C-N 3.34Å; V355-Q357 PolarHBondContact O-N 3.02Å; V355-F358 PolarHBondContact O-N 3.26Å; V355-L359 HydrophobicContact CG1-CD1 4.02Å; V355-L359 HydrophobicContact CG1-CG 4.35Å; V355-L359 WeakPolarHBondContact O-CB 3.43Å; V355-L359 VanDerWaalsContact O-CG 3.26Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 2.97Å; V355-Y378 HydrophobicContact CB-CD1 4.36Å; V355-Y378 HydrophobicContact CB-CE1 3.7Å; V355-Y378 HydrophobicContact CG1-CD1 3.58Å; V355-Y378 HydrophobicContact CG1-CD2 4.29Å; V355-Y378 HydrophobicContact CG1-CE1 3.39Å; V355-Y378 HydrophobicContact CG1-CE2 4.11Å; V355-Y378 HydrophobicContact CG1-CG 4.05Å; V355-Y378 HydrophobicContact CG2-CE1 4.24Å; V355-L426 HydrophobicContact CG1-CD1 4.16Å; V355-I428 HydrophobicContact CG2-CD1 3.85Å; V355-I428 HydrophobicContact CG2-CG1 4.28Å; V355-I428 HydrophobicContact CG2-CG2 4.43Å; V355-L458 HydrophobicContact CB-CD2 4.19Å; V355-L458 HydrophobicContact CG1-CD2 4.18Å; V355-L458 HydrophobicContact CG2-CD2 3.96Å; V355-Y460 HydrophobicContact CG2-CD2 4.12Å; V355-Y460 HydrophobicContact CG2-CE1 4.33Å; V355-Y460 HydrophobicContact CG2-CE2 3.69Å; V355-Y460 PolarHBondContact N-OH 3.5Å
356L95.2Very high90.7Very high42 Ų4269.8 Ų69.822%0.2236%0.356CS..Hα-helixtrans-64.1-39.4174.9-64.1-178.3000112.1L351 W352 P353 L359 N360L351-L356 HydrophobicContact CB-CD1 3.97Å; L351-L356 HydrophobicContact CB-CD2 3.97Å; L351-L356 HydrophobicContact CB-CG 4.06Å; L351-L356 HydrophobicContact CD1-CD2 3.93Å; L351-L356 HydrophobicContact CG-CD2 4.44Å; W352-L356 PolarHBondContact O-N 3.46Å; P353-L356 WeakPolarHBondContact O-CB 3.44Å; P353-L356 PolarHBondContact O-N 2.99Å; P353-L356 VanDerWaalsContact O-N 3.16Å; L356-L359 PolarHBondContact O-N 2.91Å; L356-N360 VanDerWaalsContact O-CB 3.23Å; L356-N360 WeakPolarHBondContact O-CB 3.28Å; L356-N360 PolarHBondContact O-N 3.42Å; L356-N360 PolarHBondContact O-ND2 3.38Å
357Q95.6Very high91.2Very high132 Ų13266.6 Ų66.662%0.61735%0.347SS*.Hα-helixtrans-61.3-47.5176.5-176.1179.221.200111.1P353 G354 V355 N360 G361P353-Q357 PolarHBondContact O-N 2.89Å; G354-Q357 PolarHBondContact O-N 2.93Å; V355-Q357 VanDerWaalsContact C-N 3.34Å; V355-Q357 PolarHBondContact O-N 3.02Å; Q357-N360 PolarHBondContact O-N 3.06Å; Q357-G361 PolarHBondContact O-N 3.32Å
358F96.5Very high92Very high17 Ų1764 Ų648%0.07533%0.331CS..Hα-helixtrans-59.4-51.2175.4179.2-97.5000111.2G354 V355 N360 G361 L362 A424 L426 Q456 L458 I569G354-F358 PolarHBondContact O-N 3.16Å; V355-F358 PolarHBondContact O-N 3.26Å; F358-N360 VanDerWaalsContact C-N 3.3Å; F358-N360 PolarHBondContact O-N 2.82Å; F358-G361 WeakPolarHBondContact O-CA 3.44Å; F358-G361 PolarHBondContact O-N 2.81Å; F358-L362 HydrophobicContact CE1-CD2 4.07Å; F358-L362 HydrophobicContact CZ-CD2 4.16Å; F358-L362 PolarHBondContact O-N 3.24Å; F358-A424 HydrophobicContact CE1-CB 4.18Å; F358-A424 HydrophobicContact CZ-CB 4.21Å; F358-L426 HydrophobicContact CD1-CD2 3.67Å; F358-L426 HydrophobicContact CE1-CD2 3.69Å; F358-Q456 HydrophobicContact CE2-CB 3.93Å; F358-Q456 HydrophobicContact CZ-CB 3.97Å; F358-L458 HydrophobicContact CB-CD2 3.71Å; F358-L458 HydrophobicContact CD1-CB 3.88Å; F358-L458 HydrophobicContact CD1-CD2 3.95Å; F358-L458 HydrophobicContact CD2-CB 4.14Å; F358-L458 HydrophobicContact CD2-CD1 4.42Å; F358-L458 HydrophobicContact CE1-CB 3.9Å; F358-L458 HydrophobicContact CE2-CB 4.17Å; F358-L458 HydrophobicContact CG-CB 4Å; F358-L458 HydrophobicContact CG-CD1 4.46Å; F358-L458 HydrophobicContact CG-CD2 3.82Å; F358-L458 HydrophobicContact CG-CG 4.33Å; F358-L458 HydrophobicContact CZ-CB 4.05Å; F358-I569 HydrophobicContact CD2-CD1 4.16Å; F358-I569 HydrophobicContact CD2-CG1 4.47Å; F358-I569 HydrophobicContact CE2-CG2 4.2Å
359L96.2Very high93Very high1 Ų159.5 Ų59.51%0.00531%0.314CS..Hα-helixtrans-58.7-40.7178.8-73.5174.1000112.3V355 L356 G361 L362 L368 Y378 H381 R382 L426V355-L359 HydrophobicContact CG1-CD1 4.02Å; V355-L359 HydrophobicContact CG1-CG 4.35Å; V355-L359 WeakPolarHBondContact O-CB 3.43Å; V355-L359 VanDerWaalsContact O-CG 3.26Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 2.97Å; L356-L359 PolarHBondContact O-N 2.91Å; L359-G361 VanDerWaalsContact C-N 3.28Å; L359-G361 PolarHBondContact O-N 2.97Å; L359-L362 HydrophobicContact CD2-CD1 4Å; L359-L362 PolarHBondContact O-N 3.06Å; L359-L368 HydrophobicContact CD2-CD1 4.41Å; L359-L368 HydrophobicContact CD2-CD2 3.52Å; L359-Y378 HydrophobicContact CD1-CD1 4.23Å; L359-H381 HydrophobicContact CD1-CB 4.2Å; L359-R382 WeakPolarHBondContact O-CD 3.44Å; L359-R382 PolarHBondContact O-NH1 2.74Å; L359-L426 HydrophobicContact CD1-CD1 4.48Å; L359-L426 HydrophobicContact CD2-CD1 4.12Å; L359-L426 HydrophobicContact CD2-CD2 4.44Å
360N94.6Very high93.9Very high98 Ų9852.7 Ų52.752%0.52429%0.287SS..Hα-helixtrans-72.1-19.3177.1-69.1-16.7000113.1L356 Q357 F358 H381 R382L356-N360 VanDerWaalsContact O-CB 3.23Å; L356-N360 WeakPolarHBondContact O-CB 3.28Å; L356-N360 PolarHBondContact O-N 3.42Å; L356-N360 PolarHBondContact O-ND2 3.38Å; Q357-N360 PolarHBondContact O-N 3.06Å; F358-N360 VanDerWaalsContact C-N 3.3Å; F358-N360 PolarHBondContact O-N 2.82Å; N360-H381 PolarHBondContact OD1-NE2 3.37Å; N360-R382 VanDerWaalsContact CA-NH1 3.35Å; N360-R382 PolarHBondContact O-NH1 3.35Å
361G94.4Very high94.6Very high65 Ų6549.1 Ų49.167%0.6726%0.262SS*.Hα-helixtrans-82-14.2175.100000114.9Q357 F358 L359Q357-G361 PolarHBondContact O-N 3.32Å; F358-G361 WeakPolarHBondContact O-CA 3.44Å; F358-G361 PolarHBondContact O-N 2.81Å; L359-G361 VanDerWaalsContact C-N 3.28Å; L359-G361 PolarHBondContact O-N 2.97Å
362L94.2Very high95.1Very high22 Ų2246.9 Ų46.912%0.11525%0.254CS..SBendtrans-62.4160.8179.9-60179.7000112.8F358 L359 L368 R382 A424F358-L362 HydrophobicContact CE1-CD2 4.07Å; F358-L362 HydrophobicContact CZ-CD2 4.16Å; F358-L362 PolarHBondContact O-N 3.24Å; L359-L362 HydrophobicContact CD2-CD1 4Å; L359-L362 PolarHBondContact O-N 3.06Å; L362-L368 HydrophobicContact CD1-CD1 4.02Å; L362-R382 VanDerWaalsContact N-NH1 3.16Å; L362-R382 PolarHBondContact O-NH1 3.33Å; L362-R382 PolarHBondContact O-NH2 3.04Å; L362-A424 HydrophobicContact CD1-CB 4.01Å; L362-A424 HydrophobicContact CD2-CB 3.56Å; L362-A424 HydrophobicContact CG-CB 4.45Å
363K92.1Very high95.4Very high157 Ų15744.9 Ų44.968%0.68325%0.247SC*.PPolyproline II helixtrans-76157171.2-66.5-178.5-177.4175.70110.3C366K363-C366 WeakPolarHBondContact O-CB 3.19Å; K363-C366 PolarHBondContact O-SG 3.25Å
364E90.6Very high95.5Very high136 Ų13641.4 Ų41.464%0.63623%0.226SC*.THydrogen-bonded Turntrans-63.9148.9171.5-51.2-159133.900111C366 N384E364-C366 PolarHBondContact O-N 3.33Å; E364-C366 VanDerWaalsContact O-N 3.08Å; E364-N384 WeakPolarHBondContact CG-ND2 3.44Å; E364-N384 PolarHBondContact OE1-ND2 2.78Å
365N91.1Very high95.5Very high117 Ų11741.5 Ų41.563%0.62623%0.225SC*.THydrogen-bonded Turntrans57.418.8179.8-52.3-42.6000114.4N384N365-N384 WeakPolarHBondContact CA-O 3.07Å; N365-N384 PolarHBondContact N-O 2.84Å
366C93.9Very high95.5Very high4 Ų441.5 Ų41.53%0.02723%0.225CC..  trans-68.6148.9178.178.20000111.2K363 E364 T385 I386 D423K363-C366 WeakPolarHBondContact O-CB 3.19Å; K363-C366 PolarHBondContact O-SG 3.25Å; E364-C366 PolarHBondContact O-N 3.33Å; E364-C366 VanDerWaalsContact O-N 3.08Å; C366-T385 VanDerWaalsContact SG-CG2 3.51Å; C366-I386 PolarHBondContact O-N 2.91Å; C366-D423 WeakPolarHBondContact CA-OD2 3.26Å; C366-D423 HydrophobicContact CB-CB 3.82Å; C366-D423 VanDerWaalsContact CB-OD2 3.24Å; C366-D423 WeakPolarHBondContact CB-OD2 3.16Å
367L96.9Very high95.4Very high42 Ų4241.7 Ų41.722%0.2222%0.224CC..EExtended strand (participates in β ladder)trans-89.4111.2174.9-169.459.5000109.7I386 T421 F422 D423 A424L367-I386 WeakPolarHBondContact CA-O 3.39Å; L367-I386 HydrophobicContact CD1-CB 3.81Å; L367-I386 HydrophobicContact CD1-CG2 3.5Å; L367-T421 HydrophobicContact CD2-CG2 3.58Å; L367-F422 HydrophobicContact CB-CD1 4.36Å; L367-F422 HydrophobicContact CD1-CD1 4.45Å; L367-F422 HydrophobicContact CD1-CE1 4.24Å; L367-F422 HydrophobicContact CD2-CD1 4.09Å; L367-F422 HydrophobicContact CD2-CE1 4.12Å; L367-F422 HydrophobicContact CG-CD1 3.58Å; L367-F422 HydrophobicContact CG-CE1 3.76Å; L367-D423 PolarHBondContact N-OD2 2.78Å; L367-D423 PolarHBondContact O-N 3.48Å; L367-A424 PolarHBondContact O-N 3.26Å
368L97.8Very high95.4Very high2 Ų235.6 Ų35.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-108.1130.7-178.1179.774.5000110.7L359 L362 I386 K387 I388 A424 L426L359-L368 HydrophobicContact CD2-CD1 4.41Å; L359-L368 HydrophobicContact CD2-CD2 3.52Å; L362-L368 HydrophobicContact CD1-CD1 4.02Å; L368-I386 PolarHBondContact N-O 2.81Å; L368-K387 HydrophobicContact CB-CG 4.09Å; L368-K387 HydrophobicContact CD2-CD 4.35Å; L368-K387 HydrophobicContact CD2-CG 3.99Å; L368-K387 WeakPolarHBondContact O-CA 3.34Å; L368-I388 PolarHBondContact O-N 2.84Å; L368-A424 WeakPolarHBondContact CA-O 3.35Å; L368-A424 HydrophobicContact CD1-CB 3.49Å; L368-A424 VanDerWaalsContact CD1-CB 3.49Å; L368-L426 HydrophobicContact CD1-CG 4.16Å; L368-L426 HydrophobicContact CD2-CD1 4.48Å
369L98.2Very high95.3Very high0 Ų035.1 Ų35.10%019%0.194CC..EExtended strand (participates in β ladder)trans-104.4126.9167.1-178.161000111V371 I388 I415 F417 F422 A424 V425 L426 V450L369-V371 HydrophobicContact CD2-CG2 3.5Å; L369-V371 VanDerWaalsContact CD2-CG2 3.5Å; L369-V371 HydrophobicContact CG-CG2 3.62Å; L369-I388 CarbonylContact C-O 3.18Å; L369-I388 WeakPolarHBondContact CA-O 3.03Å; L369-I388 HydrophobicContact CD1-CB 4.26Å; L369-I388 HydrophobicContact CD1-CG2 4.23Å; L369-I388 WeakPolarHBondContact CD1-O 3.37Å; L369-I415 HydrophobicContact CD2-CG2 3.74Å; L369-F417 HydrophobicContact CD1-CD2 3.98Å; L369-F417 HydrophobicContact CD1-CE2 3.31Å; L369-F417 HydrophobicContact CD1-CZ 3.95Å; L369-F417 HydrophobicContact CD2-CD2 3.67Å; L369-F417 HydrophobicContact CD2-CE2 3.83Å; L369-F417 HydrophobicContact CG-CD2 4.48Å; L369-F417 HydrophobicContact CG-CE2 4.22Å; L369-F422 HydrophobicContact CB-CD1 3.53Å; L369-F422 HydrophobicContact CB-CD2 4.01Å; L369-F422 HydrophobicContact CB-CE1 3.61Å; L369-F422 HydrophobicContact CB-CE2 4.04Å; L369-F422 HydrophobicContact CB-CG 3.77Å; L369-F422 HydrophobicContact CB-CZ 3.87Å; L369-F422 HydrophobicContact CD1-CE1 4.34Å; L369-F422 HydrophobicContact CD1-CZ 4.06Å; L369-F422 HydrophobicContact CD2-CD2 4.13Å; L369-F422 HydrophobicContact CD2-CE2 3.82Å; L369-F422 HydrophobicContact CD2-CZ 4.15Å; L369-F422 HydrophobicContact CG-CE1 4.42Å; L369-F422 HydrophobicContact CG-CE2 4.35Å; L369-F422 HydrophobicContact CG-CZ 4.24Å; L369-A424 PolarHBondContact N-O 2.85Å; L369-V425 HydrophobicContact CB-CG2 4.21Å; L369-V425 CarbonylContact O-C 3.57Å; L369-V425 VanDerWaalsContact O-CA 3.28Å; L369-V425 WeakPolarHBondContact O-CA 3.43Å; L369-L426 PolarHBondContact O-N 3.16Å; L369-V450 HydrophobicContact CD2-CG2 4.06Å
370D98.2Very high94.9Very high3 Ų338.3 Ų38.32%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-102.197.4170.1-167.8-0.1000109.8C373 L379 I388 G389 C390D370-C373 HydrophobicContact CB-CB 3.94Å; D370-C373 WeakPolarHBondContact O-CB 3.29Å; D370-L379 HydrophobicContact CB-CD2 3.77Å; D370-I388 PolarHBondContact N-O 2.84Å; D370-G389 CarbonylContact O-C 3.51Å; D370-G389 WeakPolarHBondContact O-CA 3.28Å; D370-C390 PolarHBondContact O-N 2.85Å
371V98.4Very high94.7Very high1 Ų135.9 Ų35.91%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-84.8117.7-177.7-176.40000109.4L369 C412 I415 V425 L426 V430 L447L369-V371 HydrophobicContact CD2-CG2 3.5Å; L369-V371 VanDerWaalsContact CD2-CG2 3.5Å; L369-V371 HydrophobicContact CG-CG2 3.62Å; V371-C412 HydrophobicContact CG1-CB 3.51Å; V371-I415 HydrophobicContact CB-CD1 4.45Å; V371-I415 HydrophobicContact CG1-CD1 3.9Å; V371-I415 HydrophobicContact CG1-CG1 4.43Å; V371-I415 HydrophobicContact CG2-CD1 3.68Å; V371-V425 HydrophobicContact CG2-CG1 3.85Å; V371-L426 WeakPolarHBondContact CB-O 3.42Å; V371-L426 PolarHBondContact N-O 2.89Å; V371-V430 WeakPolarHBondContact O-CG2 3.22Å; V371-L447 HydrophobicContact CB-CD2 3.84Å; V371-L447 HydrophobicContact CG1-CD2 3.94Å; V371-L447 HydrophobicContact CG2-CD2 3.63Å
372G97.6Very high94.1Very high16 Ų1634.7 Ų34.717%0.16518%0.177CC..THydrogen-bonded Turntrans72.150-166.200000112G374 C390G372-G374 PolarHBondContact O-N 2.85Å; G372-G374 VanDerWaalsContact O-N 3.07Å; G372-C390 CarbonylContact C-O 3.57Å; G372-C390 WeakPolarHBondContact CA-O 2.96Å; G372-C390 PolarHBondContact N-O 2.63Å
373C97.3Very high93.4Very high6 Ų638.4 Ų38.44%0.04121%0.211CC..  trans-64-13.8-174.164.90000114.2D370 N375 G376 L379 C390D370-C373 HydrophobicContact CB-CB 3.94Å; D370-C373 WeakPolarHBondContact O-CB 3.29Å; C373-N375 PolarHBondContact O-N 3.13Å; C373-G376 PolarHBondContact O-N 2.87Å; C373-L379 HydrophobicContact CB-CD1 4.15Å; C373-C390 PolarHBondContact N-O 3.36Å
374G96.3Very high93.2Very high5 Ų533.4 Ų33.45%0.05219%0.191CC..THydrogen-bonded Turntrans55.9-121-177.400000111.8G372 G376 D391 C400G372-G374 PolarHBondContact O-N 2.85Å; G372-G374 VanDerWaalsContact O-N 3.07Å; G374-G376 VanDerWaalsContact C-N 3.25Å; G374-G376 PolarHBondContact O-N 2.66Å; G374-D391 VanDerWaalsContact CA-OD2 3.26Å; G374-D391 WeakPolarHBondContact CA-OD2 2.88Å; G374-D391 PolarHBondContact N-OD2 2.98Å; G374-C400 PolarHBondContact O-SG 3.45Å
375N94.9Very high93.2Very high5 Ų527.5 Ų27.53%0.02717%0.165CC..THydrogen-bonded Turntrans-86.211.617871.9-19.1000114.2F344 D345 R348 C373 K377 I399 K403F344-N375 HydrophobicContact CD1-CB 4.28Å; F344-N375 HydrophobicContact CE1-CB 4.29Å; D345-N375 HydrophobicContact CB-CB 4.15Å; D345-N375 PolarHBondContact O-ND2 2.97Å; D345-N375 VanDerWaalsContact OD1-CB 3.26Å; D345-N375 WeakPolarHBondContact OD1-CB 3.4Å; D345-N375 PolarHBondContact OD1-ND2 3.29Å; D345-N375 VanDerWaalsContact OD1-ND2 3.11Å; R348-N375 PolarHBondContact O-ND2 3.01Å; R348-N375 VanDerWaalsContact O-ND2 3.09Å; C373-N375 PolarHBondContact O-N 3.13Å; N375-K377 PolarHBondContact OD1-N 2.75Å; N375-I399 HydrophobicContact CB-CG2 4.33Å; N375-K403 PolarHBondContact O-NZ 3.14Å
376G95.1Very high93.3Very high0 Ų026.7 Ų26.70%016%0.16CC..THydrogen-bonded Turntrans78.422.3175.600000113.8C373 G374 Y378 L379 C400C373-G376 PolarHBondContact O-N 2.87Å; G374-G376 VanDerWaalsContact C-N 3.25Å; G374-G376 PolarHBondContact O-N 2.66Å; G376-Y378 PolarHBondContact O-N 2.95Å; G376-Y378 VanDerWaalsContact O-N 3.14Å; G376-L379 WeakPolarHBondContact O-CB 3.28Å; G376-L379 PolarHBondContact O-N 3.33Å; G376-C400 VanDerWaalsContact CA-SG 3.56Å; G376-C400 PolarHBondContact N-SG 3.29Å
377K93.9Very high93.4Very high46 Ų4628.3 Ų28.320%0.217%0.166CC..THydrogen-bonded Turntrans-56.9-32.1-173.568.9178.6-171.9164.90113.6L351 N375 S380L351-K377 HydrophobicContact CD2-CB 4.31Å; L351-K377 HydrophobicContact CD2-CG 4.4Å; L351-K377 VanDerWaalsContact CD2-O 3.29Å; L351-K377 WeakPolarHBondContact CD2-O 3.15Å; N375-K377 PolarHBondContact OD1-N 2.75Å; K377-S380 PolarHBondContact O-OG 3.21Å; K377-S380 VanDerWaalsContact O-OG 3.12Å
378Y95.3Very high93.3Very high5 Ų528.1 Ų28.12%0.0217%0.165CC..THydrogen-bonded Turntrans-91.1-19.6177.1-62.2-64.1000113.5L351 V355 L359 G376 S380 H381 L426 I428L351-Y378 HydrophobicContact CB-CE1 4.27Å; L351-Y378 HydrophobicContact CD2-CD1 3.66Å; L351-Y378 HydrophobicContact CD2-CE1 3.72Å; V355-Y378 HydrophobicContact CB-CD1 4.36Å; V355-Y378 HydrophobicContact CB-CE1 3.7Å; V355-Y378 HydrophobicContact CG1-CD1 3.58Å; V355-Y378 HydrophobicContact CG1-CD2 4.29Å; V355-Y378 HydrophobicContact CG1-CE1 3.39Å; V355-Y378 HydrophobicContact CG1-CE2 4.11Å; V355-Y378 HydrophobicContact CG1-CG 4.05Å; V355-Y378 HydrophobicContact CG2-CE1 4.24Å; L359-Y378 HydrophobicContact CD1-CD1 4.23Å; G376-Y378 PolarHBondContact O-N 2.95Å; G376-Y378 VanDerWaalsContact O-N 3.14Å; Y378-S380 PolarHBondContact O-N 3.41Å; Y378-H381 WeakPolarHBondContact O-CB 3.43Å; Y378-H381 PolarHBondContact O-N 3.48Å; Y378-L426 HydrophobicContact CD2-CD1 4.36Å; Y378-L426 HydrophobicContact CG-CD1 4.3Å; Y378-I428 HydrophobicContact CD2-CG1 4.26Å; Y378-I428 HydrophobicContact CE2-CB 3.94Å; Y378-I428 HydrophobicContact CE2-CG1 3.83Å; Y378-I428 HydrophobicContact CE2-CG2 3.79Å
379L93.9Very high93.3Very high6 Ų628 Ų283%0.03116%0.164CC..THydrogen-bonded Turntrans-64.9-23179.2-62.3176.6000112.5D370 C373 G376 H381 K387 Y405 V407D370-L379 HydrophobicContact CB-CD2 3.77Å; C373-L379 HydrophobicContact CB-CD1 4.15Å; G376-L379 WeakPolarHBondContact O-CB 3.28Å; G376-L379 PolarHBondContact O-N 3.33Å; L379-H381 VanDerWaalsContact C-N 3.34Å; L379-K387 HydrophobicContact CD2-CB 4.07Å; L379-K387 WeakPolarHBondContact O-CD 3.41Å; L379-K387 WeakPolarHBondContact O-CE 2.96Å; L379-K387 PolarHBondContact O-NZ 2.93Å; L379-Y405 HydrophobicContact CB-CD1 3.82Å; L379-Y405 HydrophobicContact CB-CD2 4.11Å; L379-Y405 HydrophobicContact CB-CE1 4.06Å; L379-Y405 HydrophobicContact CB-CE2 4.31Å; L379-Y405 HydrophobicContact CB-CG 3.88Å; L379-Y405 HydrophobicContact CD1-CD2 4.02Å; L379-Y405 HydrophobicContact CD1-CG 3.9Å; L379-V407 HydrophobicContact CD1-CG1 3.8Å
380S89.5Confident93.3Very high68 Ų6828.1 Ų28.148%0.47617%0.165SC..THydrogen-bonded Turntrans-73.4-22.9172.963.20000113.9K377 Y378 Y405K377-S380 PolarHBondContact O-OG 3.21Å; K377-S380 VanDerWaalsContact O-OG 3.12Å; Y378-S380 PolarHBondContact O-N 3.41Å; S380-Y405 WeakPolarHBondContact CB-OH 3.48Å
381H88.9Confident93.2Very high47 Ų4728.9 Ų28.922%0.21817%0.169CC..SBendtrans-83.1147.2-172.1-166.563.6000111.2L359 N360 Y378 L379 K387L359-H381 HydrophobicContact CD1-CB 4.2Å; N360-H381 PolarHBondContact OD1-NE2 3.37Å; Y378-H381 WeakPolarHBondContact O-CB 3.43Å; Y378-H381 PolarHBondContact O-N 3.48Å; L379-H381 VanDerWaalsContact C-N 3.34Å; H381-K387 PolarHBondContact O-NZ 3.02Å
382R83.3Confident93.1Very high41 Ų4132.9 Ų32.916%0.15518%0.184CC..  trans55.791.4178.6-169.1172.5-179.8148.46114.3L359 N360 L362 N384 T385 K387L359-R382 WeakPolarHBondContact O-CD 3.44Å; L359-R382 PolarHBondContact O-NH1 2.74Å; N360-R382 VanDerWaalsContact CA-NH1 3.35Å; N360-R382 PolarHBondContact O-NH1 3.35Å; L362-R382 VanDerWaalsContact N-NH1 3.16Å; L362-R382 PolarHBondContact O-NH1 3.33Å; L362-R382 PolarHBondContact O-NH2 3.04Å; R382-N384 VanDerWaalsContact C-N 3.33Å; R382-N384 WeakPolarHBondContact CG-OD1 3.43Å; R382-N384 PolarHBondContact NE-OD1 3.02Å; R382-N384 PolarHBondContact O-N 3.03Å; R382-T385 HydrophobicContact CG-CG2 3.85Å; R382-T385 PolarHBondContact O-OG1 2.99Å; R382-K387 PolarHBondContact O-NZ 3.24Å
383A79.4Confident93Very high99 Ų9932.2 Ų32.282%0.81818%0.177SC*.THydrogen-bonded Turntrans-65.7-29.2-174.400000114.5T385A383-T385 PolarHBondContact O-N 2.98Å
384N87.1Confident92.9Very high52 Ų5234.6 Ų34.628%0.27819%0.189SC..THydrogen-bonded Turntrans-82.536.4-179.766.3-13.2000113.2E364 N365 R382E364-N384 WeakPolarHBondContact CG-ND2 3.44Å; E364-N384 PolarHBondContact OE1-ND2 2.78Å; N365-N384 WeakPolarHBondContact CA-O 3.07Å; N365-N384 PolarHBondContact N-O 2.84Å; R382-N384 VanDerWaalsContact C-N 3.33Å; R382-N384 WeakPolarHBondContact CG-OD1 3.43Å; R382-N384 PolarHBondContact NE-OD1 3.02Å; R382-N384 PolarHBondContact O-N 3.03Å
385T89.4Confident92.9Very high12 Ų1237.3 Ų37.37%0.07420%0.2CC..SBendtrans-135.4143.4175.555.80000109.8C366 R382 A383 K387C366-T385 VanDerWaalsContact SG-CG2 3.51Å; R382-T385 HydrophobicContact CG-CG2 3.85Å; R382-T385 PolarHBondContact O-OG1 2.99Å; A383-T385 PolarHBondContact O-N 2.98Å; T385-K387 WeakPolarHBondContact O-CE 3.35Å; T385-K387 VanDerWaalsContact OG1-CD 3.3Å; T385-K387 WeakPolarHBondContact OG1-CD 3.23Å; T385-K387 VanDerWaalsContact OG1-CE 3.29Å; T385-K387 WeakPolarHBondContact OG1-CE 2.78Å; T385-K387 WeakPolarHBondContact OG1-CG 3.33Å
386I93.8Very high93Very high101 Ų10137.1 Ų37.152%0.51820%0.199SC..EExtended strand (participates in β ladder)trans-88.2118.7174.3-55.8174000106.6C366 L367 L368C366-I386 PolarHBondContact O-N 2.91Å; L367-I386 WeakPolarHBondContact CA-O 3.39Å; L367-I386 HydrophobicContact CD1-CB 3.81Å; L367-I386 HydrophobicContact CD1-CG2 3.5Å; L368-I386 PolarHBondContact N-O 2.81Å
387K95.5Very high93Very high38 Ų3837.1 Ų37.117%0.16520%0.199CC..EExtended strand (participates in β ladder)trans-122.4129.3-168.2-70167.4-77.4-177.40111.3L368 L379 H381 R382 T385L368-K387 HydrophobicContact CB-CG 4.09Å; L368-K387 HydrophobicContact CD2-CD 4.35Å; L368-K387 HydrophobicContact CD2-CG 3.99Å; L368-K387 WeakPolarHBondContact O-CA 3.34Å; L379-K387 HydrophobicContact CD2-CB 4.07Å; L379-K387 WeakPolarHBondContact O-CD 3.41Å; L379-K387 WeakPolarHBondContact O-CE 2.96Å; L379-K387 PolarHBondContact O-NZ 2.93Å; H381-K387 PolarHBondContact O-NZ 3.02Å; R382-K387 PolarHBondContact O-NZ 3.24Å; T385-K387 WeakPolarHBondContact O-CE 3.35Å; T385-K387 VanDerWaalsContact OG1-CD 3.3Å; T385-K387 WeakPolarHBondContact OG1-CD 3.23Å; T385-K387 VanDerWaalsContact OG1-CE 3.29Å; T385-K387 WeakPolarHBondContact OG1-CE 2.78Å; T385-K387 WeakPolarHBondContact OG1-CG 3.33Å
388I96.6Very high93.2Very high38 Ų3838.6 Ų38.620%0.19521%0.206CC..EExtended strand (participates in β ladder)trans-119.5133.5169.4-55.9177.3000107L368 L369 D370 L408 F417 F422L368-I388 PolarHBondContact O-N 2.84Å; L369-I388 CarbonylContact C-O 3.18Å; L369-I388 WeakPolarHBondContact CA-O 3.03Å; L369-I388 HydrophobicContact CD1-CB 4.26Å; L369-I388 HydrophobicContact CD1-CG2 4.23Å; L369-I388 WeakPolarHBondContact CD1-O 3.37Å; D370-I388 PolarHBondContact N-O 2.84Å; I388-L408 HydrophobicContact CG2-CD1 3.76Å; I388-F417 HydrophobicContact CD1-CE1 4.23Å; I388-F417 HydrophobicContact CG2-CE1 4.12Å; I388-F417 HydrophobicContact CG2-CE2 4.46Å; I388-F417 HydrophobicContact CG2-CZ 3.57Å; I388-F422 HydrophobicContact CB-CE1 4.46Å; I388-F422 HydrophobicContact CD1-CE1 4.19Å; I388-F422 HydrophobicContact CD1-CZ 4.3Å
389G97.2Very high93.1Very high0 Ų038.6 Ų38.60%021%0.206CC..EExtended strand (participates in β ladder)trans-105.2155.5169.300000111.1D370 Q406 V407 L408D370-G389 CarbonylContact O-C 3.51Å; D370-G389 WeakPolarHBondContact O-CA 3.28Å; G389-Q406 PolarHBondContact N-O 2.78Å; G389-V407 WeakPolarHBondContact O-CA 3.44Å; G389-L408 PolarHBondContact O-N 3.09Å; G389-L408 VanDerWaalsContact O-N 3.11Å
390C97.1Very high93.2Very high1 Ų138.3 Ų38.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-141.5148.6165.873.40000111D370 G372 C373 L408 V410D370-C390 PolarHBondContact O-N 2.85Å; G372-C390 CarbonylContact C-O 3.57Å; G372-C390 WeakPolarHBondContact CA-O 2.96Å; G372-C390 PolarHBondContact N-O 2.63Å; C373-C390 PolarHBondContact N-O 3.36Å; C390-L408 CarbonylContact C-O 3.56Å; C390-L408 WeakPolarHBondContact CA-O 3.43Å; C390-L408 HydrophobicContact CB-CB 4.45Å; C390-L408 WeakPolarHBondContact CB-O 3.25Å; C390-V410 HydrophobicContact CB-CB 3.69Å; C390-V410 HydrophobicContact CB-CG1 4.26Å; C390-V410 HydrophobicContact CB-CG2 3.63Å
391D97.8Very high93.4Very high20 Ų2041.4 Ų41.411%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-149151179.2-157.9-72.1000110.7G374 S393 L408 Q409 V410G374-D391 VanDerWaalsContact CA-OD2 3.26Å; G374-D391 WeakPolarHBondContact CA-OD2 2.88Å; G374-D391 PolarHBondContact N-OD2 2.98Å; D391-S393 VanDerWaalsContact C-N 3.32Å; D391-S393 WeakPolarHBondContact OD1-CB 3.44Å; D391-S393 PolarHBondContact OD1-N 2.96Å; D391-L408 PolarHBondContact N-O 2.87Å; D391-Q409 CarbonylContact O-C 3.47Å; D391-Q409 VanDerWaalsContact O-CA 3.22Å; D391-Q409 WeakPolarHBondContact O-CA 3.23Å; D391-V410 CarbonylContact C-O 3.59Å; D391-V410 VanDerWaalsContact C-O 3.31Å; D391-V410 PolarHBondContact O-N 3.33Å
392R95.1Very high93.8Very high84 Ų8447 Ų4732%0.31723%0.225SC..SBendtrans-72.1-31.3177.5-176.363.8-176.992.3-2.9111.7Y334 Q409 V410Y334-R392 HydrophobicContact CD1-CG 3.56Å; Y334-R392 HydrophobicContact CD2-CG 4.4Å; Y334-R392 HydrophobicContact CE1-CG 3.79Å; Y334-R392 HydrophobicContact CG-CG 3.93Å; R392-Q409 PolarHBondContact O-NE2 3.36Å; R392-V410 WeakPolarHBondContact CA-O 3.29Å; R392-V410 PolarHBondContact N-O 3.41Å
393S95.9Very high94.3Very high2 Ų249.1 Ų49.11%0.01424%0.235CC..  trans-77.4119.1-179.3170.50000111.3D338 D391 E395 L396 C397D338-S393 WeakPolarHBondContact OD1-CA 2.98Å; D338-S393 VanDerWaalsContact OD1-CB 3.26Å; D338-S393 WeakPolarHBondContact OD1-CB 3.46Å; D338-S393 PolarHBondContact OD1-OG 3.11Å; D391-S393 VanDerWaalsContact C-N 3.32Å; D391-S393 WeakPolarHBondContact OD1-CB 3.44Å; D391-S393 PolarHBondContact OD1-N 2.96Å; S393-E395 VanDerWaalsContact C-N 3.27Å; S393-E395 PolarHBondContact O-N 3.4Å; S393-E395 PolarHBondContact OG-N 2.83Å; S393-L396 PolarHBondContact O-N 3.38Å; S393-L396 PolarHBondContact OG-N 3.26Å; S393-C397 PolarHBondContact O-N 2.84Å; S393-C397 VanDerWaalsContact O-N 3.09Å; S393-C397 PolarHBondContact O-SG 3.49Å
394L95.3Very high94.9Very high56 Ų5647.3 Ų47.329%0.29323%0.226SC..Hα-helixtrans-63.8-37.6175.917958.7000111D338 C397 K398D338-L394 PolarHBondContact OD1-N 2.7Å; L394-C397 PolarHBondContact O-N 3.02Å; L394-K398 HydrophobicContact CG-CD 4.43Å; L394-K398 WeakPolarHBondContact O-CG 3.44Å; L394-K398 PolarHBondContact O-N 3.37Å
395E96.8Very high95.3Very high62 Ų6247.7 Ų47.729%0.2922%0.224SC..Hα-helixtrans-70.2-37.3-178-62.4-52.5128.400112.4D338 A341 S393 K398 I399D338-E395 HydrophobicContact CB-CG 4.09Å; D338-E395 PolarHBondContact OD1-N 3Å; A341-E395 HydrophobicContact CB-CB 3.46Å; A341-E395 VanDerWaalsContact CB-CB 3.46Å; S393-E395 VanDerWaalsContact C-N 3.27Å; S393-E395 PolarHBondContact O-N 3.4Å; S393-E395 PolarHBondContact OG-N 2.83Å; E395-K398 PolarHBondContact O-N 3.12Å; E395-K398 IonicContact OE1-NZ 2.88Å; E395-K398 PolarHBondContact OE1-NZ 2.91Å; E395-K398 IonicContact OE2-NZ 3.53Å; E395-I399 WeakPolarHBondContact O-CG1 3.02Å; E395-I399 PolarHBondContact O-N 3.42Å
396L96.2Very high95.5Very high2 Ų253.8 Ų53.81%0.0125%0.251CS..Hα-helixtrans-66.9-40171.9-71.1174.3000112Y337 A341 F344 S393 K398 I399 C400Y337-L396 HydrophobicContact CD1-CD1 4.07Å; A341-L396 HydrophobicContact CB-CD2 3.91Å; A341-L396 HydrophobicContact CB-CG 3.99Å; F344-L396 HydrophobicContact CD1-CD2 3.69Å; F344-L396 HydrophobicContact CE1-CD2 4.29Å; F344-L396 HydrophobicContact CG-CD2 4.36Å; S393-L396 PolarHBondContact O-N 3.38Å; S393-L396 PolarHBondContact OG-N 3.26Å; L396-K398 VanDerWaalsContact C-N 3.35Å; L396-K398 PolarHBondContact O-N 3.35Å; L396-I399 HydrophobicContact CD2-CD1 4.31Å; L396-I399 WeakPolarHBondContact O-CB 2.93Å; L396-I399 PolarHBondContact O-N 2.82Å; L396-C400 PolarHBondContact O-N 3.06Å
397C95.8Very high95.6Very high0 Ų049.4 Ų49.40%023%0.229CC..Hα-helixtrans-59.8-43.5171.5-67.90000111.9S393 L394 I399 C400 R401 V407 L408S393-C397 PolarHBondContact O-N 2.84Å; S393-C397 VanDerWaalsContact O-N 3.09Å; S393-C397 PolarHBondContact O-SG 3.49Å; L394-C397 PolarHBondContact O-N 3.02Å; C397-I399 VanDerWaalsContact C-N 3.33Å; C397-I399 PolarHBondContact O-N 3.35Å; C397-C400 PolarHBondContact O-N 2.88Å; C397-R401 WeakPolarHBondContact O-CG 3.43Å; C397-R401 PolarHBondContact O-N 2.91Å; C397-V407 HydrophobicContact CB-CG2 4.27Å; C397-V407 WeakPolarHBondContact O-CG2 3.26Å; C397-L408 PolarHBondContact SG-O 3.11Å; C397-L408 VanDerWaalsContact SG-O 3.38Å
398K96.5Very high95.5Very high77 Ų7749.8 Ų49.834%0.33523%0.233SC..Hα-helixtrans-60.2-40.5175.6-74.4170.7179.6169.30112L394 E395 L396 R401 R402L394-K398 HydrophobicContact CG-CD 4.43Å; L394-K398 WeakPolarHBondContact O-CG 3.44Å; L394-K398 PolarHBondContact O-N 3.37Å; E395-K398 PolarHBondContact O-N 3.12Å; E395-K398 IonicContact OE1-NZ 2.88Å; E395-K398 PolarHBondContact OE1-NZ 2.91Å; E395-K398 IonicContact OE2-NZ 3.53Å; L396-K398 VanDerWaalsContact C-N 3.35Å; L396-K398 PolarHBondContact O-N 3.35Å; K398-R401 PolarHBondContact O-N 3.24Å; K398-R402 WeakPolarHBondContact O-CG 3.24Å; K398-R402 PolarHBondContact O-N 2.86Å
399I94.8Very high95.5Very high4 Ų452 Ų522%0.02124%0.242CC..Hα-helixtrans-61-48.2174.8-71.2165000110.8A341 D345 N375 E395 L396 C397 R401 R402 K403A341-I399 HydrophobicContact CB-CD1 3.92Å; D345-I399 HydrophobicContact CB-CD1 3.93Å; D345-I399 HydrophobicContact CB-CG2 4.14Å; N375-I399 HydrophobicContact CB-CG2 4.33Å; E395-I399 WeakPolarHBondContact O-CG1 3.02Å; E395-I399 PolarHBondContact O-N 3.42Å; L396-I399 HydrophobicContact CD2-CD1 4.31Å; L396-I399 WeakPolarHBondContact O-CB 2.93Å; L396-I399 PolarHBondContact O-N 2.82Å; C397-I399 VanDerWaalsContact C-N 3.33Å; C397-I399 PolarHBondContact O-N 3.35Å; I399-R401 PolarHBondContact O-N 2.74Å; I399-R402 PolarHBondContact O-N 2.65Å; I399-K403 HydrophobicContact CG2-CD 4.48Å; I399-K403 WeakPolarHBondContact O-CG 3.33Å; I399-K403 PolarHBondContact O-N 3.32Å; I399-K403 VanDerWaalsContact O-N 3.15Å
400C95.1Very high95.2Very high0 Ų052.4 Ų52.40%025%0.245CC..Hα-helixtrans-60.1-42.8177.3-77.30000112.9G374 G376 L396 C397 R402 K403 G404 Y405 V407G374-C400 PolarHBondContact O-SG 3.45Å; G376-C400 VanDerWaalsContact CA-SG 3.56Å; G376-C400 PolarHBondContact N-SG 3.29Å; L396-C400 PolarHBondContact O-N 3.06Å; C397-C400 PolarHBondContact O-N 2.88Å; C400-R402 VanDerWaalsContact C-N 3.34Å; C400-R402 PolarHBondContact O-N 2.88Å; C400-K403 CarbonylContact O-C 3.56Å; C400-K403 WeakPolarHBondContact O-CA 3.35Å; C400-K403 WeakPolarHBondContact O-CB 3.49Å; C400-K403 PolarHBondContact O-N 2.89Å; C400-G404 PolarHBondContact O-N 2.8Å; C400-Y405 HydrophobicContact CB-CD2 4.2Å; C400-Y405 PolarHBondContact O-N 3.12Å; C400-V407 HydrophobicContact CB-CB 4.15Å; C400-V407 HydrophobicContact CB-CG1 3.58Å; C400-V407 HydrophobicContact CB-CG2 3.56Å
401R94.9Very high95Very high133 Ų13353.8 Ų53.850%0.50225%0.252SS..Hα-helixtrans-60.9-41.1175.2-70.4-179.4-171.2156.71.9112C397 K398 I399 K403 G404 V407C397-R401 WeakPolarHBondContact O-CG 3.43Å; C397-R401 PolarHBondContact O-N 2.91Å; K398-R401 PolarHBondContact O-N 3.24Å; I399-R401 PolarHBondContact O-N 2.74Å; R401-K403 PolarHBondContact O-N 2.78Å; R401-G404 PolarHBondContact O-N 3.03Å; R401-V407 HydrophobicContact CG-CG2 3.59Å; R401-V407 PolarHBondContact NE-O 3.46Å; R401-V407 PolarHBondContact NH2-O 2.7Å
402R95.4Very high94.9Very high166 Ų16653.7 Ų53.763%0.62625%0.253SS*.Hα-helixtrans-62.9-26.4174.1-72.2-169.8-62.9-93.312113.4K398 I399 C400 G404K398-R402 WeakPolarHBondContact O-CG 3.24Å; K398-R402 PolarHBondContact O-N 2.86Å; I399-R402 PolarHBondContact O-N 2.65Å; C400-R402 VanDerWaalsContact C-N 3.34Å; C400-R402 PolarHBondContact O-N 2.88Å; R402-G404 VanDerWaalsContact C-N 3.29Å
403K93.9Very high94.8Very high85 Ų8551.3 Ų51.337%0.3724%0.244SC..THydrogen-bonded Turntrans-83.9-0.9173.2-65.2177.7-177179.20113.5D345 N375 I399 C400 R401 Y405D345-K403 WeakPolarHBondContact OD1-CE 3.24Å; D345-K403 IonicContact OD1-NZ 3.49Å; D345-K403 PolarHBondContact OD1-NZ 3.02Å; N375-K403 PolarHBondContact O-NZ 3.14Å; I399-K403 HydrophobicContact CG2-CD 4.48Å; I399-K403 WeakPolarHBondContact O-CG 3.33Å; I399-K403 PolarHBondContact O-N 3.32Å; I399-K403 VanDerWaalsContact O-N 3.15Å; C400-K403 CarbonylContact O-C 3.56Å; C400-K403 WeakPolarHBondContact O-CA 3.35Å; C400-K403 WeakPolarHBondContact O-CB 3.49Å; C400-K403 PolarHBondContact O-N 2.89Å; R401-K403 PolarHBondContact O-N 2.78Å; K403-Y405 HydrophobicContact CB-CD2 3.81Å; K403-Y405 HydrophobicContact CB-CE2 3.57Å; K403-Y405 HydrophobicContact CD-CD2 4.4Å; K403-Y405 HydrophobicContact CD-CE2 3.74Å; K403-Y405 HydrophobicContact CG-CE2 4.33Å
404G92.9Very high94.6Very high60 Ų6052.5 Ų52.562%0.61925%0.252SS*.THydrogen-bonded Turntrans8316.3179.900000114.8C400 R401 R402C400-G404 PolarHBondContact O-N 2.8Å; R401-G404 PolarHBondContact O-N 3.03Å; R402-G404 VanDerWaalsContact C-N 3.29Å
405Y95.1Very high94.4Very high61 Ų6149.8 Ų49.824%0.23924%0.238CC..  trans-87146.6177.5-56-45.6000112.6L379 S380 C400 K403 V407L379-Y405 HydrophobicContact CB-CD1 3.82Å; L379-Y405 HydrophobicContact CB-CD2 4.11Å; L379-Y405 HydrophobicContact CB-CE1 4.06Å; L379-Y405 HydrophobicContact CB-CE2 4.31Å; L379-Y405 HydrophobicContact CB-CG 3.88Å; L379-Y405 HydrophobicContact CD1-CD2 4.02Å; L379-Y405 HydrophobicContact CD1-CG 3.9Å; S380-Y405 WeakPolarHBondContact CB-OH 3.48Å; C400-Y405 HydrophobicContact CB-CD2 4.2Å; C400-Y405 PolarHBondContact O-N 3.12Å; K403-Y405 HydrophobicContact CB-CD2 3.81Å; K403-Y405 HydrophobicContact CB-CE2 3.57Å; K403-Y405 HydrophobicContact CD-CD2 4.4Å; K403-Y405 HydrophobicContact CD-CE2 3.74Å; K403-Y405 HydrophobicContact CG-CE2 4.33Å; Y405-V407 PolarHBondContact O-N 3.18Å
406Q94.9Very high94.1Very high139 Ų13947.9 Ų47.965%0.6523%0.231SC*.  trans-77.5106.4171.9-61-57.5-28.800109.5G389G389-Q406 PolarHBondContact N-O 2.78Å
407V95.4Very high93.9Very high9 Ų948.4 Ų48.46%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-141.4147.8-176-61.10000115.4L379 G389 C397 C400 R401 Y405L379-V407 HydrophobicContact CD1-CG1 3.8Å; G389-V407 WeakPolarHBondContact O-CA 3.44Å; C397-V407 HydrophobicContact CB-CG2 4.27Å; C397-V407 WeakPolarHBondContact O-CG2 3.26Å; C400-V407 HydrophobicContact CB-CB 4.15Å; C400-V407 HydrophobicContact CB-CG1 3.58Å; C400-V407 HydrophobicContact CB-CG2 3.56Å; R401-V407 HydrophobicContact CG-CG2 3.59Å; R401-V407 PolarHBondContact NE-O 3.46Å; R401-V407 PolarHBondContact NH2-O 2.7Å; Y405-V407 PolarHBondContact O-N 3.18Å
408L93.9Very high93.7Very high46 Ų4654.1 Ų54.124%0.24126%0.255CS..EExtended strand (participates in β ladder)trans-126.2146-178.1-63.3126.5000111.8Y311 I388 G389 C390 D391 C397 V410 F417Y311-L408 HydrophobicContact CE1-CD2 3.88Å; Y311-L408 WeakPolarHBondContact OH-CD1 3.01Å; Y311-L408 WeakPolarHBondContact OH-CD2 3.39Å; I388-L408 HydrophobicContact CG2-CD1 3.76Å; G389-L408 PolarHBondContact O-N 3.09Å; G389-L408 VanDerWaalsContact O-N 3.11Å; C390-L408 CarbonylContact C-O 3.56Å; C390-L408 WeakPolarHBondContact CA-O 3.43Å; C390-L408 HydrophobicContact CB-CB 4.45Å; C390-L408 WeakPolarHBondContact CB-O 3.25Å; D391-L408 PolarHBondContact N-O 2.87Å; C397-L408 PolarHBondContact SG-O 3.11Å; C397-L408 VanDerWaalsContact SG-O 3.38Å; L408-V410 HydrophobicContact CB-CG2 3.81Å; L408-V410 PolarHBondContact O-N 2.79Å; L408-F417 HydrophobicContact CD1-CE1 3.79Å; L408-F417 HydrophobicContact CD1-CZ 3.42Å; L408-F417 VanDerWaalsContact CD1-CZ 3.42Å
409Q96.1Very high93.6Very high85 Ų8552.7 Ų52.740%0.39725%0.251SS..EExtended strand (participates in β ladder)trans-80.9117.3171.2-170.4-174.210.800109.1D391 R392D391-Q409 CarbonylContact O-C 3.47Å; D391-Q409 VanDerWaalsContact O-CA 3.22Å; D391-Q409 WeakPolarHBondContact O-CA 3.23Å; R392-Q409 PolarHBondContact O-NE2 3.36Å
410V90.9Very high93.7Very high8 Ų857.7 Ų57.75%0.04827%0.274CS..  trans-146.1138.8-167.4168.80000110.6C390 D391 R392 L408 I415 P416C390-V410 HydrophobicContact CB-CB 3.69Å; C390-V410 HydrophobicContact CB-CG1 4.26Å; C390-V410 HydrophobicContact CB-CG2 3.63Å; D391-V410 CarbonylContact C-O 3.59Å; D391-V410 VanDerWaalsContact C-O 3.31Å; D391-V410 PolarHBondContact O-N 3.33Å; R392-V410 WeakPolarHBondContact CA-O 3.29Å; R392-V410 PolarHBondContact N-O 3.41Å; L408-V410 HydrophobicContact CB-CG2 3.81Å; L408-V410 PolarHBondContact O-N 2.79Å; V410-I415 HydrophobicContact CG1-CG1 4.48Å; V410-P416 HydrophobicContact CG1-CG 4.37Å; V410-P416 HydrophobicContact CG2-CG 3.61Å
411D92.6Very high93.8Very high31 Ų3159.2 Ų59.217%0.16628%0.283CS..  trans-77.8123.2162.1-168.6-45.3000108.7R413 S414D411-R413 PolarHBondContact O-N 3.06Å; D411-R413 VanDerWaalsContact OD1-CB 3.23Å; D411-R413 WeakPolarHBondContact OD1-CB 3.34Å; D411-R413 WeakPolarHBondContact OD1-CG 3.03Å; D411-R413 IonicContact OD1-CZ 2.67Å; D411-R413 PolarHBondContact OD1-N 3.01Å; D411-R413 IonicContact OD1-NE 2.85Å; D411-R413 PolarHBondContact OD1-NE 2.96Å; D411-R413 IonicContact OD1-NH2 3.7Å; D411-R413 IonicContact OD2-CZ 3.15Å; D411-R413 IonicContact OD2-NE 2.73Å; D411-R413 PolarHBondContact OD2-NE 2.86Å; D411-R413 IonicContact OD2-NH2 3.85Å; D411-R413 PolarHBondContact OD2-NH2 2.65Å; D411-S414 CarbonylContact O-C 3.59Å; D411-S414 WeakPolarHBondContact O-CA 3.45Å; D411-S414 PolarHBondContact O-N 2.91Å; D411-S414 VanDerWaalsContact O-O 3.14Å
412C95.5Very high94Very high17 Ų1752.9 Ų52.912%0.11526%0.259CS..THydrogen-bonded Turntrans-62.4-16-178.762.30000113.4V371 S414 I415 V430V371-C412 HydrophobicContact CG1-CB 3.51Å; C412-S414 VanDerWaalsContact C-N 3.32Å; C412-I415 WeakPolarHBondContact O-CG1 3.39Å; C412-V430 HydrophobicContact CB-CG1 4.31Å
413R93.5Very high94.1Very high35 Ų3546.4 Ų46.413%0.13224%0.237CC..THydrogen-bonded Turntrans-79.6-17.3171.9-55.2169.9-61.5135.5-5.5111.4K314 D411 L434 R439 Q442 A443 E446K314-R413 WeakPolarHBondContact CD-O 3.48Å; K314-R413 WeakPolarHBondContact CE-O 3.3Å; K314-R413 WeakPolarHBondContact CG-O 3.5Å; K314-R413 PolarHBondContact NZ-O 3.37Å; D411-R413 PolarHBondContact O-N 3.06Å; D411-R413 VanDerWaalsContact OD1-CB 3.23Å; D411-R413 WeakPolarHBondContact OD1-CB 3.34Å; D411-R413 WeakPolarHBondContact OD1-CG 3.03Å; D411-R413 IonicContact OD1-CZ 2.67Å; D411-R413 PolarHBondContact OD1-N 3.01Å; D411-R413 IonicContact OD1-NE 2.85Å; D411-R413 PolarHBondContact OD1-NE 2.96Å; D411-R413 IonicContact OD1-NH2 3.7Å; D411-R413 IonicContact OD2-CZ 3.15Å; D411-R413 IonicContact OD2-NE 2.73Å; D411-R413 PolarHBondContact OD2-NE 2.86Å; D411-R413 IonicContact OD2-NH2 3.85Å; D411-R413 PolarHBondContact OD2-NH2 2.65Å; R413-L434 HydrophobicContact CG-CD1 3.99Å; R413-L434 HydrophobicContact CG-CD2 4.23Å; R413-R439 VanDerWaalsContact NH1-NH2 3.19Å; R413-Q442 HydrophobicContact CB-CG 4.17Å; R413-A443 HydrophobicContact CG-CB 4.11Å; R413-E446 VanDerWaalsContact C-CG 3.46Å; R413-E446 WeakPolarHBondContact O-CG 3.48Å
414S91.7Very high94.3Very high26 Ų2642.3 Ų42.318%0.18222%0.219CC..SBendtrans-133.168.3-175.3-145.70000111.1K314 D411 C412 P416K314-S414 WeakPolarHBondContact CB-OG 3.49Å; K314-S414 WeakPolarHBondContact CE-OG 3.43Å; D411-S414 CarbonylContact O-C 3.59Å; D411-S414 WeakPolarHBondContact O-CA 3.45Å; D411-S414 PolarHBondContact O-N 2.91Å; D411-S414 VanDerWaalsContact O-O 3.14Å; C412-S414 VanDerWaalsContact C-N 3.32Å; S414-P416 VanDerWaalsContact O-CD 3.25Å; S414-P416 WeakPolarHBondContact O-CD 3.37Å
415I91.4Very high94.5Very high0 Ų039.5 Ų39.50%019%0.19CC..  trans-79.2118.2-171.7-63.1179.7000108.9P312 L369 V371 V410 C412 F417 E446 L447 R449 V450P312-I415 WeakPolarHBondContact CG-O 3.19Å; L369-I415 HydrophobicContact CD2-CG2 3.74Å; V371-I415 HydrophobicContact CB-CD1 4.45Å; V371-I415 HydrophobicContact CG1-CD1 3.9Å; V371-I415 HydrophobicContact CG1-CG1 4.43Å; V371-I415 HydrophobicContact CG2-CD1 3.68Å; V410-I415 HydrophobicContact CG1-CG1 4.48Å; C412-I415 WeakPolarHBondContact O-CG1 3.39Å; I415-F417 HydrophobicContact CG2-CD2 3.43Å; I415-F417 VanDerWaalsContact CG2-CD2 3.43Å; I415-F417 HydrophobicContact CG2-CE2 3.99Å; I415-F417 HydrophobicContact CG2-CG 4.44Å; I415-F417 PolarHBondContact O-N 2.73Å; I415-E446 HydrophobicContact CB-CB 4.32Å; I415-E446 HydrophobicContact CD1-CB 3.7Å; I415-E446 HydrophobicContact CG1-CB 3.87Å; I415-E446 HydrophobicContact CG1-CG 4.46Å; I415-E446 PolarHBondContact N-OE2 3.48Å; I415-L447 HydrophobicContact CD1-CD2 3.77Å; I415-R449 PolarHBondContact O-NH2 2.82Å; I415-V450 HydrophobicContact CB-CG1 4.2Å; I415-V450 HydrophobicContact CG2-CG1 3.87Å
416P90.9Very high94.7Very high22 Ų2236.6 Ų36.614%0.14318%0.179CC..  trans-92.863.7-16846.3-42.9000111.7Y311 V410 S414Y311-P416 WeakPolarHBondContact CA-O 3.49Å; Y311-P416 WeakPolarHBondContact CB-O 3.47Å; Y311-P416 HydrophobicContact CD1-CB 3.17Å; Y311-P416 HydrophobicContact CD1-CG 3.3Å; Y311-P416 WeakPolarHBondContact CD1-O 3.38Å; Y311-P416 WeakPolarHBondContact CD2-O 3.35Å; Y311-P416 HydrophobicContact CE1-CB 3.84Å; Y311-P416 HydrophobicContact CE1-CG 3.39Å; Y311-P416 WeakPolarHBondContact CE1-O 3.49Å; Y311-P416 HydrophobicContact CG-CB 3.9Å; Y311-P416 HydrophobicContact CG-CG 4.4Å; V410-P416 HydrophobicContact CG1-CG 4.37Å; V410-P416 HydrophobicContact CG2-CG 3.61Å; S414-P416 VanDerWaalsContact O-CD 3.25Å; S414-P416 WeakPolarHBondContact O-CD 3.37Å
417F90.5Very high94.9Very high12 Ų1230 Ų305%0.05315%0.148CC..SBendtrans-134139.8167.4-57.7-70.4000113.2A310 P312 L369 I388 L408 I415 F422 R449 V450A310-F417 WeakPolarHBondContact O-CA 3.44Å; P312-F417 WeakPolarHBondContact CG-O 2.79Å; L369-F417 HydrophobicContact CD1-CD2 3.98Å; L369-F417 HydrophobicContact CD1-CE2 3.31Å; L369-F417 HydrophobicContact CD1-CZ 3.95Å; L369-F417 HydrophobicContact CD2-CD2 3.67Å; L369-F417 HydrophobicContact CD2-CE2 3.83Å; L369-F417 HydrophobicContact CG-CD2 4.48Å; L369-F417 HydrophobicContact CG-CE2 4.22Å; I388-F417 HydrophobicContact CD1-CE1 4.23Å; I388-F417 HydrophobicContact CG2-CE1 4.12Å; I388-F417 HydrophobicContact CG2-CE2 4.46Å; I388-F417 HydrophobicContact CG2-CZ 3.57Å; L408-F417 HydrophobicContact CD1-CE1 3.79Å; L408-F417 HydrophobicContact CD1-CZ 3.42Å; L408-F417 VanDerWaalsContact CD1-CZ 3.42Å; I415-F417 HydrophobicContact CG2-CD2 3.43Å; I415-F417 VanDerWaalsContact CG2-CD2 3.43Å; I415-F417 HydrophobicContact CG2-CE2 3.99Å; I415-F417 HydrophobicContact CG2-CG 4.44Å; I415-F417 PolarHBondContact O-N 2.73Å; F417-F422 HydrophobicContact CB-CE2 3.47Å; F417-F422 VanDerWaalsContact CB-CE2 3.47Å; F417-F422 HydrophobicContact CB-CZ 4.1Å; F417-F422 HydrophobicContact CD1-CE2 4.2Å; F417-F422 AromaticContact CD1-CZ 3.93Å; F417-F422 HydrophobicContact CD1-CZ 3.93Å; F417-F422 AromaticContact CD2-CE2 3.54Å; F417-F422 HydrophobicContact CD2-CE2 3.54Å; F417-F422 AromaticContact CD2-CZ 3.69Å; F417-F422 HydrophobicContact CD2-CZ 3.69Å; F417-F422 HydrophobicContact CE1-CZ 4.24Å; F417-F422 HydrophobicContact CE2-CE2 4.35Å; F417-F422 HydrophobicContact CE2-CZ 4.08Å; F417-F422 AromaticContact CG-CE2 3.47Å; F417-F422 HydrophobicContact CG-CE2 3.47Å; F417-F422 VanDerWaalsContact CG-CE2 3.47Å; F417-F422 AromaticContact CG-CZ 3.63Å; F417-F422 HydrophobicContact CG-CZ 3.63Å; F417-F422 HydrophobicContact CZ-CZ 4.31Å; F417-R449 PolarHBondContact O-NH1 3.47Å; F417-V450 HydrophobicContact CB-CG1 4.37Å; F417-V450 WeakPolarHBondContact O-CG1 3.46Å
418R91.3Very high95Very high121 Ų12130.1 Ų30.146%0.45715%0.148SC..  trans-48.8151.8-17568.6-179.686.9146.75.1111K308 A310 T421K308-R418 PolarHBondContact O-NH2 2.9Å; A310-R418 HydrophobicContact CB-CB 3.75Å; A310-R418 HydrophobicContact CB-CG 4Å; A310-R418 PolarHBondContact O-N 3.48Å; R418-T421 WeakPolarHBondContact CG-OG1 3.37Å; R418-T421 PolarHBondContact O-OG1 2.89Å
419D95Very high95.1Very high47 Ų4729.3 Ų29.325%0.25115%0.148SC..THydrogen-bonded Turntrans-52.8146.2172.5-66.731.3000109.4T421 R449D419-T421 VanDerWaalsContact C-N 3.34Å; D419-T421 PolarHBondContact O-N 3.29Å; D419-R449 HydrophobicContact CB-CG 4.33Å; D419-R449 VanDerWaalsContact CG-CG 3.43Å; D419-R449 WeakPolarHBondContact OD1-CD 3.5Å; D419-R449 WeakPolarHBondContact OD1-CG 3.48Å; D419-R449 IonicContact OD1-CZ 2.67Å; D419-R449 IonicContact OD1-NE 3.64Å; D419-R449 IonicContact OD1-NH1 2.73Å; D419-R449 PolarHBondContact OD1-NH1 3.46Å; D419-R449 WeakPolarHBondContact OD2-CG 3.5Å
420E97.5Very high95.2Very high109 Ų10926.3 Ų26.351%0.50914%0.135SC..THydrogen-bonded Turntrans6135.6171.6-58.5-175.9175.900116.1R449 L451 K572E420-R449 PolarHBondContact N-O 3.4Å; E420-L451 VanDerWaalsContact CA-O 3.29Å; E420-L451 WeakPolarHBondContact CA-O 3.37Å; E420-K572 IonicContact OE1-NZ 2.98Å
421T96.9Very high95.5Very high32 Ų3226 Ų2620%0.19613%0.133CC..  trans-90-49.5-177.9-60.70000114L367 R418 D419 V450L367-T421 HydrophobicContact CD2-CG2 3.58Å; R418-T421 WeakPolarHBondContact CG-OG1 3.37Å; R418-T421 PolarHBondContact O-OG1 2.89Å; D419-T421 VanDerWaalsContact C-N 3.34Å; D419-T421 PolarHBondContact O-N 3.29Å; T421-V450 PolarHBondContact N-O 2.99Å
422F98Very high95.7Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-96.4142.9-163.4-65.1-86.1000111.6L367 L369 I388 F417 V425 V450 L451 R452L367-F422 HydrophobicContact CB-CD1 4.36Å; L367-F422 HydrophobicContact CD1-CD1 4.45Å; L367-F422 HydrophobicContact CD1-CE1 4.24Å; L367-F422 HydrophobicContact CD2-CD1 4.09Å; L367-F422 HydrophobicContact CD2-CE1 4.12Å; L367-F422 HydrophobicContact CG-CD1 3.58Å; L367-F422 HydrophobicContact CG-CE1 3.76Å; L369-F422 HydrophobicContact CB-CD1 3.53Å; L369-F422 HydrophobicContact CB-CD2 4.01Å; L369-F422 HydrophobicContact CB-CE1 3.61Å; L369-F422 HydrophobicContact CB-CE2 4.04Å; L369-F422 HydrophobicContact CB-CG 3.77Å; L369-F422 HydrophobicContact CB-CZ 3.87Å; L369-F422 HydrophobicContact CD1-CE1 4.34Å; L369-F422 HydrophobicContact CD1-CZ 4.06Å; L369-F422 HydrophobicContact CD2-CD2 4.13Å; L369-F422 HydrophobicContact CD2-CE2 3.82Å; L369-F422 HydrophobicContact CD2-CZ 4.15Å; L369-F422 HydrophobicContact CG-CE1 4.42Å; L369-F422 HydrophobicContact CG-CE2 4.35Å; L369-F422 HydrophobicContact CG-CZ 4.24Å; I388-F422 HydrophobicContact CB-CE1 4.46Å; I388-F422 HydrophobicContact CD1-CE1 4.19Å; I388-F422 HydrophobicContact CD1-CZ 4.3Å; F417-F422 HydrophobicContact CB-CE2 3.47Å; F417-F422 VanDerWaalsContact CB-CE2 3.47Å; F417-F422 HydrophobicContact CB-CZ 4.1Å; F417-F422 HydrophobicContact CD1-CE2 4.2Å; F417-F422 AromaticContact CD1-CZ 3.93Å; F417-F422 HydrophobicContact CD1-CZ 3.93Å; F417-F422 AromaticContact CD2-CE2 3.54Å; F417-F422 HydrophobicContact CD2-CE2 3.54Å; F417-F422 AromaticContact CD2-CZ 3.69Å; F417-F422 HydrophobicContact CD2-CZ 3.69Å; F417-F422 HydrophobicContact CE1-CZ 4.24Å; F417-F422 HydrophobicContact CE2-CE2 4.35Å; F417-F422 HydrophobicContact CE2-CZ 4.08Å; F417-F422 AromaticContact CG-CE2 3.47Å; F417-F422 HydrophobicContact CG-CE2 3.47Å; F417-F422 VanDerWaalsContact CG-CE2 3.47Å; F417-F422 AromaticContact CG-CZ 3.63Å; F417-F422 HydrophobicContact CG-CZ 3.63Å; F417-F422 HydrophobicContact CZ-CZ 4.31Å; F422-V425 HydrophobicContact CB-CG2 4.18Å; F422-V450 HydrophobicContact CD2-CB 3.93Å; F422-V450 HydrophobicContact CD2-CG2 4.01Å; F422-V450 HydrophobicContact CE2-CB 4.36Å; F422-V450 PolarHBondContact N-O 2.9Å; F422-L451 HydrophobicContact CB-CD2 4.49Å; F422-L451 WeakPolarHBondContact O-CA 3.14Å; F422-L451 WeakPolarHBondContact O-CD2 3.46Å; F422-R452 PolarHBondContact O-N 2.74Å
423D98Very high95.8Very high29 Ų2924.3 Ų24.316%0.15512%0.123CC..EExtended strand (participates in β ladder)trans-78.4-31.2172.5-56.5-43.8000111.1C366 L367 R452 G455 Q456C366-D423 WeakPolarHBondContact CA-OD2 3.26Å; C366-D423 HydrophobicContact CB-CB 3.82Å; C366-D423 VanDerWaalsContact CB-OD2 3.24Å; C366-D423 WeakPolarHBondContact CB-OD2 3.16Å; L367-D423 PolarHBondContact N-OD2 2.78Å; L367-D423 PolarHBondContact O-N 3.48Å; D423-R452 VanDerWaalsContact OD1-CD 3.25Å; D423-R452 WeakPolarHBondContact OD1-CD 3.05Å; D423-R452 IonicContact OD1-CZ 2.89Å; D423-R452 IonicContact OD1-NE 2.81Å; D423-R452 PolarHBondContact OD1-NE 2.88Å; D423-R452 IonicContact OD1-NH1 2.68Å; D423-R452 PolarHBondContact OD1-NH1 2.98Å; D423-R452 IonicContact OD1-NH2 2.82Å; D423-R452 PolarHBondContact OD1-NH2 2.86Å; D423-R452 VanDerWaalsContact OD1-NH2 3.09Å; D423-G455 WeakPolarHBondContact O-CA 3.39Å; D423-Q456 PolarHBondContact O-N 3.12Å
424A98Very high95.9Very high0 Ų022.9 Ų22.90%012%0.118CC..EExtended strand (participates in β ladder)trans-146.2149.6178.700000112F358 L362 L367 L368 L369 Q456F358-A424 HydrophobicContact CE1-CB 4.18Å; F358-A424 HydrophobicContact CZ-CB 4.21Å; L362-A424 HydrophobicContact CD1-CB 4.01Å; L362-A424 HydrophobicContact CD2-CB 3.56Å; L362-A424 HydrophobicContact CG-CB 4.45Å; L367-A424 PolarHBondContact O-N 3.26Å; L368-A424 WeakPolarHBondContact CA-O 3.35Å; L368-A424 HydrophobicContact CD1-CB 3.49Å; L368-A424 VanDerWaalsContact CD1-CB 3.49Å; L369-A424 PolarHBondContact N-O 2.85Å; A424-Q456 CarbonylContact C-O 3.51Å; A424-Q456 WeakPolarHBondContact CA-O 3.45Å
425V98.4Very high95.8Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-130.7135.2176.4174.90000109.3L369 V371 F422 L447 V450 L451 Q456 A457 L458L369-V425 HydrophobicContact CB-CG2 4.21Å; L369-V425 CarbonylContact O-C 3.57Å; L369-V425 VanDerWaalsContact O-CA 3.28Å; L369-V425 WeakPolarHBondContact O-CA 3.43Å; V371-V425 HydrophobicContact CG2-CG1 3.85Å; F422-V425 HydrophobicContact CB-CG2 4.18Å; V425-L447 HydrophobicContact CG1-CB 4.16Å; V425-L447 HydrophobicContact CG1-CD2 3.72Å; V425-L447 HydrophobicContact CG1-CG 4.36Å; V425-V450 HydrophobicContact CG2-CG2 3.83Å; V425-L451 HydrophobicContact CB-CD2 4.19Å; V425-L451 HydrophobicContact CB-CG 4.42Å; V425-L451 HydrophobicContact CG2-CD2 3.57Å; V425-L451 HydrophobicContact CG2-CG 3.75Å; V425-Q456 PolarHBondContact N-O 2.88Å; V425-A457 HydrophobicContact CB-CB 4.2Å; V425-A457 CarbonylContact O-C 3.43Å; V425-A457 VanDerWaalsContact O-CA 3.28Å; V425-A457 WeakPolarHBondContact O-CA 3.5Å; V425-L458 PolarHBondContact O-N 3.01Å
426L98.5Very high95.6Very high0 Ų023.9 Ų23.90%012%0.124CC..EExtended strand (participates in β ladder)trans-103.8143.2165.6-57.5-173.5000109.9V355 F358 L359 L368 L369 V371 Y378 I428 L458V355-L426 HydrophobicContact CG1-CD1 4.16Å; F358-L426 HydrophobicContact CD1-CD2 3.67Å; F358-L426 HydrophobicContact CE1-CD2 3.69Å; L359-L426 HydrophobicContact CD1-CD1 4.48Å; L359-L426 HydrophobicContact CD2-CD1 4.12Å; L359-L426 HydrophobicContact CD2-CD2 4.44Å; L368-L426 HydrophobicContact CD1-CG 4.16Å; L368-L426 HydrophobicContact CD2-CD1 4.48Å; L369-L426 PolarHBondContact O-N 3.16Å; V371-L426 WeakPolarHBondContact CB-O 3.42Å; V371-L426 PolarHBondContact N-O 2.89Å; Y378-L426 HydrophobicContact CD2-CD1 4.36Å; Y378-L426 HydrophobicContact CG-CD1 4.3Å; L426-I428 HydrophobicContact CB-CD1 4.39Å; L426-I428 HydrophobicContact CB-CG1 4.11Å; L426-L458 HydrophobicContact CD2-CB 3.87Å; L426-L458 HydrophobicContact CD2-CD2 4.02Å
427S98.4Very high95.2Very high0 Ų024.5 Ų24.50%013%0.13CC..EExtended strand (participates in β ladder)trans-140.385.1165.91650000108.8L447 L458 I459 Y460S427-L447 VanDerWaalsContact CB-CD1 3.5Å; S427-L458 PolarHBondContact N-O 2.93Å; S427-I459 WeakPolarHBondContact O-CA 3.26Å; S427-Y460 PolarHBondContact O-N 2.66Å
428I98Very high95Very high13 Ų1328.2 Ų28.27%0.06715%0.148CC..EExtended strand (participates in β ladder)trans-104.8109.5-169-48.5-55.8000111.5W352 V355 Y378 L426 V430 L458 Y460W352-I428 HydrophobicContact CE3-CG2 3.68Å; W352-I428 HydrophobicContact CH2-CG2 4.42Å; W352-I428 HydrophobicContact CZ3-CG2 3.51Å; V355-I428 HydrophobicContact CG2-CD1 3.85Å; V355-I428 HydrophobicContact CG2-CG1 4.28Å; V355-I428 HydrophobicContact CG2-CG2 4.43Å; Y378-I428 HydrophobicContact CD2-CG1 4.26Å; Y378-I428 HydrophobicContact CE2-CB 3.94Å; Y378-I428 HydrophobicContact CE2-CG1 3.83Å; Y378-I428 HydrophobicContact CE2-CG2 3.79Å; L426-I428 HydrophobicContact CB-CD1 4.39Å; L426-I428 HydrophobicContact CB-CG1 4.11Å; I428-V430 WeakPolarHBondContact O-CG2 3.41Å; I428-L458 HydrophobicContact CD1-CD2 4.04Å; I428-L458 HydrophobicContact CD1-CG 4.19Å; I428-Y460 HydrophobicContact CD1-CD2 3.68Å; I428-Y460 HydrophobicContact CD1-CE2 4.45Å; I428-Y460 HydrophobicContact CD1-CG 4.15Å; I428-Y460 HydrophobicContact CG2-CG 4.37Å
429A96.7Very high95Very high28 Ų2824.1 Ų24.123%0.23113%0.132CC..SBendtrans60.846.6-179.800000113.2W352 H432 Y460W352-A429 HydrophobicContact CH2-CB 4.3Å; A429-H432 VanDerWaalsContact C-CE1 3.47Å; A429-H432 WeakPolarHBondContact CA-NE2 3.5Å; A429-H432 VanDerWaalsContact CB-NE2 3.3Å; A429-H432 WeakPolarHBondContact CB-NE2 3.39Å; A429-H432 PolarHBondContact O-CE1 3.17Å; A429-H432 PolarHBondContact O-NE2 3.47Å; A429-H432 VanDerWaalsContact O-NE2 3.17Å; A429-Y460 WeakPolarHBondContact CA-O 3.49Å; A429-Y460 PolarHBondContact N-O 3.11Å
430V97.7Very high94.9Very high22 Ų2222.5 Ų22.513%0.13312%0.123CC..  trans-120.2-62.8-173.3-174.40000112V371 C412 I428 H432 H433V371-V430 WeakPolarHBondContact O-CG2 3.22Å; C412-V430 HydrophobicContact CB-CG1 4.31Å; I428-V430 WeakPolarHBondContact O-CG2 3.41Å; V430-H432 PolarHBondContact O-N 3.05Å; V430-H433 WeakPolarHBondContact O-CB 3.28Å; V430-H433 PolarHBondContact O-N 2.85Å
431I97.5Very high94.5Very high1 Ų119.7 Ų19.71%0.00511%0.111CC..G310 helixtrans-64.3-17.9-171.866.8170.7000113.7H433 L434 R440 A443 L444 I459 V461 F539 L544I431-H433 PolarHBondContact O-N 2.85Å; I431-H433 VanDerWaalsContact O-N 3.16Å; I431-L434 HydrophobicContact CB-CD1 4.38Å; I431-L434 WeakPolarHBondContact O-CB 3.32Å; I431-L434 PolarHBondContact O-N 2.9Å; I431-R440 WeakPolarHBondContact O-CG 3.19Å; I431-A443 HydrophobicContact CG2-CB 3.94Å; I431-L444 HydrophobicContact CD1-CD2 3.84Å; I431-L444 HydrophobicContact CD1-CG 4.21Å; I431-I459 HydrophobicContact CD1-CG2 3.78Å; I431-I459 HydrophobicContact CG1-CG2 4.39Å; I431-V461 HydrophobicContact CD1-CG1 3.78Å; I431-V461 HydrophobicContact CG1-CG1 3.39Å; I431-F539 HydrophobicContact CD1-CZ 4.22Å; I431-F539 HydrophobicContact CG1-CZ 4.26Å; I431-L544 HydrophobicContact CD1-CD1 4.25Å
432H97.4Very high94.3Very high0 Ų019.8 Ų19.80%011%0.109CC..G310 helixtrans-67-7170.562.951.4000113.7A429 V430 V461 W462 Y536 H537 F539A429-H432 VanDerWaalsContact C-CE1 3.47Å; A429-H432 WeakPolarHBondContact CA-NE2 3.5Å; A429-H432 VanDerWaalsContact CB-NE2 3.3Å; A429-H432 WeakPolarHBondContact CB-NE2 3.39Å; A429-H432 PolarHBondContact O-CE1 3.17Å; A429-H432 PolarHBondContact O-NE2 3.47Å; A429-H432 VanDerWaalsContact O-NE2 3.17Å; V430-H432 PolarHBondContact O-N 3.05Å; H432-V461 HydrophobicContact CB-CB 4.39Å; H432-W462 AromaticContact NE2-CD1 3.86Å; H432-Y536 AromaticContact CE1-CD1 3.58Å; H432-Y536 AromaticContact CE1-CE1 3.16Å; H432-Y536 WeakPolarHBondContact CE1-CE1 3.26Å; H432-Y536 AromaticContact ND1-CD1 3.47Å; H432-Y536 WeakPolarHBondContact ND1-CD1 3.34Å; H432-Y536 AromaticContact ND1-CE1 3.57Å; H432-Y536 AromaticContact NE2-CE1 3.73Å; H432-Y536 CarbonylContact O-C 3.57Å; H432-Y536 WeakPolarHBondContact O-CA 3.45Å; H432-H537 VanDerWaalsContact CB-O 3.23Å; H432-H537 WeakPolarHBondContact CB-O 3.41Å; H432-H537 PolarHBondContact O-N 3.46Å; H432-F539 HydrophobicContact CB-CD2 4.38Å; H432-F539 HydrophobicContact CB-CE2 3.83Å
433H97.2Very high94.2Very high13 Ų1319.9 Ų19.96%0.0611%0.109CC..G310 helixtrans-90.1-2.2171.4-72.8-56.3000113.4V333 Y337 V430 I431 Y535 Y536V333-H433 HydrophobicContact CG1-CB 3.76Å; V333-H433 HydrophobicContact CG2-CB 4.03Å; Y337-H433 AromaticContact CE2-CD2 3.86Å; Y337-H433 AromaticContact CE2-CE1 3.64Å; Y337-H433 AromaticContact CE2-NE2 3.34Å; Y337-H433 VanDerWaalsContact CE2-NE2 3.34Å; Y337-H433 WeakPolarHBondContact CE2-NE2 3.23Å; Y337-H433 AromaticContact CZ-CE1 3.94Å; Y337-H433 AromaticContact CZ-NE2 3.4Å; Y337-H433 PolarHBondContact OH-CE1 2.99Å; Y337-H433 VanDerWaalsContact OH-CE1 3.32Å; Y337-H433 PolarHBondContact OH-NE2 2.88Å; V430-H433 WeakPolarHBondContact O-CB 3.28Å; V430-H433 PolarHBondContact O-N 2.85Å; I431-H433 PolarHBondContact O-N 2.85Å; I431-H433 VanDerWaalsContact O-N 3.16Å; H433-Y535 PolarHBondContact CE1-O 3.18Å; H433-Y535 PolarHBondContact ND1-O 2.97Å; H433-Y536 AromaticContact CE1-CD1 4Å; H433-Y536 AromaticContact CE1-CD2 3.82Å; H433-Y536 AromaticContact CE1-CE1 3.6Å; H433-Y536 AromaticContact CE1-CE2 3.41Å; H433-Y536 VanDerWaalsContact CE1-CE2 3.41Å; H433-Y536 WeakPolarHBondContact CE1-CE2 3.42Å; H433-Y536 AromaticContact CE1-CZ 3.27Å; H433-Y536 AromaticContact NE2-CE1 3.93Å; H433-Y536 AromaticContact NE2-CZ 3.73Å
434L94.7Very high94.1Very high5 Ų518.5 Ų18.53%0.02610%0.102CC..  trans-90.6123.3177.9-57.7176.2000109.6E329 R413 I431 T436 R439 R440 A443E329-L434 WeakPolarHBondContact OE1-CA 3.38Å; E329-L434 WeakPolarHBondContact OE2-CD2 3.18Å; R413-L434 HydrophobicContact CG-CD1 3.99Å; R413-L434 HydrophobicContact CG-CD2 4.23Å; I431-L434 HydrophobicContact CB-CD1 4.38Å; I431-L434 WeakPolarHBondContact O-CB 3.32Å; I431-L434 PolarHBondContact O-N 2.9Å; L434-T436 VanDerWaalsContact C-N 3.25Å; L434-T436 PolarHBondContact O-N 3.42Å; L434-R439 HydrophobicContact CB-CB 4.07Å; L434-R439 WeakPolarHBondContact CD1-O 3.09Å; L434-R440 HydrophobicContact CB-CG 3.78Å; L434-R440 PolarHBondContact O-NH1 3.44Å; L434-A443 HydrophobicContact CD1-CB 3.52Å
435S89.3Confident94Very high17 Ų1722 Ų2212%0.11912%0.121CC..SBendtrans-73.7-10.3-163.955.10000115.5T325 E329 Y535T325-S435 WeakPolarHBondContact CG2-OG 3.48Å; E329-S435 WeakPolarHBondContact OE1-CB 3.43Å; E329-S435 PolarHBondContact OE1-N 3.38Å; E329-S435 PolarHBondContact OE1-OG 2.87Å; S435-Y535 VanDerWaalsContact CA-CE1 3.49Å; S435-Y535 WeakPolarHBondContact CA-OH 3.22Å
436T87.1Confident93.9Very high31 Ų3122.5 Ų22.519%0.1912%0.123CC..SBendtrans-138.8156.8177.982.80000111.2T325 L434 E438 R439 R440T325-T436 HydrophobicContact CG2-CG2 3.31Å; L434-T436 VanDerWaalsContact C-N 3.25Å; L434-T436 PolarHBondContact O-N 3.42Å; T436-E438 VanDerWaalsContact C-N 3.3Å; T436-E438 WeakPolarHBondContact CB-OE2 3.24Å; T436-E438 PolarHBondContact O-N 3.02Å; T436-E438 PolarHBondContact OG1-OE2 3.11Å; T436-R439 PolarHBondContact O-N 3.41Å; T436-R439 WeakPolarHBondContact OG1-CG 3.42Å; T436-R439 PolarHBondContact OG1-N 3.12Å; T436-R440 WeakPolarHBondContact O-CG 3.48Å; T436-R440 PolarHBondContact O-N 2.85Å; T436-R440 VanDerWaalsContact O-N 3.14Å
437A83.8Confident93.9Very high34 Ų3422.6 Ų22.628%0.28112%0.124SC..Hα-helixtrans-60.5-39.7177.800000111.8R439 R440 I441A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 2.91Å; A437-R440 WeakPolarHBondContact O-CB 3.38Å; A437-R440 PolarHBondContact O-N 3.07Å; A437-R440 VanDerWaalsContact O-N 3.13Å; A437-I441 WeakPolarHBondContact O-CG1 3.2Å; A437-I441 PolarHBondContact O-N 2.73Å
438E85.6Confident93.9Very high90 Ų9022.9 Ų22.942%0.42113%0.125SC..Hα-helixtrans-62-40.7-179.5-5670.4-147.600110.9T436 I441 Q442T436-E438 VanDerWaalsContact C-N 3.3Å; T436-E438 WeakPolarHBondContact CB-OE2 3.24Å; T436-E438 PolarHBondContact O-N 3.02Å; T436-E438 PolarHBondContact OG1-OE2 3.11Å; E438-I441 PolarHBondContact O-N 2.94Å; E438-Q442 WeakPolarHBondContact O-CB 3.45Å; E438-Q442 PolarHBondContact O-N 3.38Å
439R92Very high93.8Very high35 Ų3523.9 Ų23.913%0.13213%0.128CC..Hα-helixtrans-69.8-36.1177.3-65.5172.171.289-5.5111.4E329 R413 L434 T436 A437 Q442 A443E329-R439 VanDerWaalsContact CD-NE 3.33Å; E329-R439 VanDerWaalsContact CD-NH2 3.33Å; E329-R439 WeakPolarHBondContact OE1-CD 3.43Å; E329-R439 IonicContact OE1-CZ 3.84Å; E329-R439 IonicContact OE1-NE 2.69Å; E329-R439 PolarHBondContact OE1-NE 3.43Å; E329-R439 IonicContact OE1-NH2 2.86Å; E329-R439 IonicContact OE2-CZ 2.73Å; E329-R439 IonicContact OE2-NE 3.53Å; E329-R439 PolarHBondContact OE2-NE 2.95Å; E329-R439 IonicContact OE2-NH2 3.38Å; E329-R439 PolarHBondContact OE2-NH2 3.19Å; R413-R439 VanDerWaalsContact NH1-NH2 3.19Å; L434-R439 HydrophobicContact CB-CB 4.07Å; L434-R439 WeakPolarHBondContact CD1-O 3.09Å; T436-R439 PolarHBondContact O-N 3.41Å; T436-R439 WeakPolarHBondContact OG1-CG 3.42Å; T436-R439 PolarHBondContact OG1-N 3.12Å; A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 2.91Å; R439-Q442 PolarHBondContact O-N 2.62Å; R439-A443 PolarHBondContact O-N 3.06Å
440R93.3Very high93.9Very high13 Ų1322.5 Ų22.55%0.04912%0.117CC..Hα-helixtrans-62-46171.8-68-170.2-68.1-9517.9111.4I431 L434 T436 A437 Q442 A443 L444 H537 E543 L547I431-R440 WeakPolarHBondContact O-CG 3.19Å; L434-R440 HydrophobicContact CB-CG 3.78Å; L434-R440 PolarHBondContact O-NH1 3.44Å; T436-R440 WeakPolarHBondContact O-CG 3.48Å; T436-R440 PolarHBondContact O-N 2.85Å; T436-R440 VanDerWaalsContact O-N 3.14Å; A437-R440 WeakPolarHBondContact O-CB 3.38Å; A437-R440 PolarHBondContact O-N 3.07Å; A437-R440 VanDerWaalsContact O-N 3.13Å; R440-Q442 VanDerWaalsContact C-N 3.35Å; R440-Q442 PolarHBondContact O-N 3.42Å; R440-A443 PolarHBondContact O-N 2.87Å; R440-L444 WeakPolarHBondContact O-CG 3.14Å; R440-L444 PolarHBondContact O-N 2.86Å; R440-H537 VanDerWaalsContact CZ-CD2 3.46Å; R440-H537 PolarHBondContact NH2-CD2 3.03Å; R440-H537 PolarHBondContact NH2-CE1 3.15Å; R440-H537 VanDerWaalsContact NH2-CE1 3.33Å; R440-H537 PolarHBondContact NH2-NE2 3.07Å; R440-H537 VanDerWaalsContact NH2-NE2 3.11Å; R440-E543 IonicContact NH2-OE1 3.76Å; R440-L547 HydrophobicContact CB-CD1 4.39Å
441I89Confident93.9Very high51 Ų5121.5 Ų21.526%0.26211%0.111SC..Hα-helixtrans-61.1-43.5175-67.4166.2000110.7A437 E438 A443 L444 N445 L547 L551A437-I441 WeakPolarHBondContact O-CG1 3.2Å; A437-I441 PolarHBondContact O-N 2.73Å; E438-I441 PolarHBondContact O-N 2.94Å; I441-A443 PolarHBondContact O-N 3.32Å; I441-L444 PolarHBondContact O-N 2.82Å; I441-N445 PolarHBondContact O-N 3.27Å; I441-N445 PolarHBondContact O-ND2 3.22Å; I441-L547 HydrophobicContact CD1-CD2 4.09Å; I441-L547 HydrophobicContact CG1-CD2 3.91Å; I441-L551 HydrophobicContact CG2-CD2 4.32Å
442Q92Very high93.9Very high34 Ų3425.9 Ų25.916%0.15913%0.127CC..Hα-helixtrans-58.6-45.1176.3-170.5-179.834.700111.9K314 D315 R413 E438 R439 R440 N445 E446K314-Q442 HydrophobicContact CD-CG 4.23Å; D315-Q442 PolarHBondContact O-NE2 3.03Å; R413-Q442 HydrophobicContact CB-CG 4.17Å; E438-Q442 WeakPolarHBondContact O-CB 3.45Å; E438-Q442 PolarHBondContact O-N 3.38Å; R439-Q442 PolarHBondContact O-N 2.62Å; R440-Q442 VanDerWaalsContact C-N 3.35Å; R440-Q442 PolarHBondContact O-N 3.42Å; Q442-N445 PolarHBondContact O-N 3.41Å; Q442-E446 PolarHBondContact O-N 3.11Å; Q442-E446 VanDerWaalsContact O-N 3.16Å
443A95.7Very high93.9Very high1 Ų129 Ų291%0.00815%0.148CC..Hα-helixtrans-63.5-43.5175.500000112.1R413 I431 L434 R439 R440 I441 N445 E446 L447R413-A443 HydrophobicContact CG-CB 4.11Å; I431-A443 HydrophobicContact CG2-CB 3.94Å; L434-A443 HydrophobicContact CD1-CB 3.52Å; R439-A443 PolarHBondContact O-N 3.06Å; R440-A443 PolarHBondContact O-N 2.87Å; I441-A443 PolarHBondContact O-N 3.32Å; A443-N445 VanDerWaalsContact C-N 3.35Å; A443-N445 PolarHBondContact O-N 2.75Å; A443-E446 WeakPolarHBondContact O-CB 3.41Å; A443-E446 PolarHBondContact O-N 2.79Å; A443-L447 WeakPolarHBondContact O-CG 3.49Å; A443-L447 PolarHBondContact O-N 3.37Å; A443-L447 VanDerWaalsContact O-N 3.1Å
444L95.8Very high93.9Very high0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-60.3-43176.2-70.4175.5000112.2I431 R440 I441 E446 L447 I448 I459 L547 L551I431-L444 HydrophobicContact CD1-CD2 3.84Å; I431-L444 HydrophobicContact CD1-CG 4.21Å; R440-L444 WeakPolarHBondContact O-CG 3.14Å; R440-L444 PolarHBondContact O-N 2.86Å; I441-L444 PolarHBondContact O-N 2.82Å; L444-E446 VanDerWaalsContact C-N 3.3Å; L444-E446 PolarHBondContact O-N 3.34Å; L444-L447 HydrophobicContact CD2-CD1 4.2Å; L444-L447 WeakPolarHBondContact O-CB 3.31Å; L444-L447 PolarHBondContact O-N 3.16Å; L444-L447 VanDerWaalsContact O-N 3.15Å; L444-I448 WeakPolarHBondContact O-CG1 3.19Å; L444-I448 PolarHBondContact O-N 3.05Å; L444-I448 VanDerWaalsContact O-N 3.1Å; L444-I459 HydrophobicContact CD2-CD1 3.4Å; L444-I459 VanDerWaalsContact CD2-CD1 3.4Å; L444-I459 HydrophobicContact CD2-CG1 4.09Å; L444-L547 HydrophobicContact CD1-CB 4.08Å; L444-L551 HydrophobicContact CB-CD1 3.93Å; L444-L551 HydrophobicContact CB-CD2 4.06Å; L444-L551 HydrophobicContact CD1-CD1 4.43Å
445N95.3Very high94.1Very high74 Ų7430 Ų3040%0.39616%0.163SC..Hα-helixtrans-59-39.8175.4-81.4-35000112.1I441 Q442 A443 I448 R449 L551I441-N445 PolarHBondContact O-N 3.27Å; I441-N445 PolarHBondContact O-ND2 3.22Å; Q442-N445 PolarHBondContact O-N 3.41Å; A443-N445 VanDerWaalsContact C-N 3.35Å; A443-N445 PolarHBondContact O-N 2.75Å; N445-I448 PolarHBondContact O-N 3Å; N445-R449 WeakPolarHBondContact O-CB 3.47Å; N445-R449 PolarHBondContact O-N 3.3Å; N445-L551 WeakPolarHBondContact OD1-CD2 3.38Å
446E97.6Very high94.5Very high11 Ų1132 Ų325%0.05117%0.17CC..Hα-helixtrans-65.3-40.1174.4-72-69.693.900113.1K314 R413 I415 Q442 A443 L444 I448 R449 V450K314-E446 VanDerWaalsContact CG-CD 3.46Å; K314-E446 HydrophobicContact CG-CG 4.07Å; R413-E446 VanDerWaalsContact C-CG 3.46Å; R413-E446 WeakPolarHBondContact O-CG 3.48Å; I415-E446 HydrophobicContact CB-CB 4.32Å; I415-E446 HydrophobicContact CD1-CB 3.7Å; I415-E446 HydrophobicContact CG1-CB 3.87Å; I415-E446 HydrophobicContact CG1-CG 4.46Å; I415-E446 PolarHBondContact N-OE2 3.48Å; Q442-E446 PolarHBondContact O-N 3.11Å; Q442-E446 VanDerWaalsContact O-N 3.16Å; A443-E446 WeakPolarHBondContact O-CB 3.41Å; A443-E446 PolarHBondContact O-N 2.79Å; L444-E446 VanDerWaalsContact C-N 3.3Å; L444-E446 PolarHBondContact O-N 3.34Å; E446-I448 PolarHBondContact O-N 3.36Å; E446-R449 VanDerWaalsContact CD-NH2 3.34Å; E446-R449 PolarHBondContact O-N 2.9Å; E446-R449 IonicContact OE1-CZ 2.63Å; E446-R449 IonicContact OE1-NE 3.53Å; E446-R449 PolarHBondContact OE1-NE 3.28Å; E446-R449 IonicContact OE1-NH2 3.33Å; E446-R449 PolarHBondContact OE1-NH2 2.8Å; E446-R449 IonicContact OE2-CZ 3.05Å; E446-R449 IonicContact OE2-NE 3.65Å; E446-R449 IonicContact OE2-NH2 3.56Å; E446-R449 PolarHBondContact OE2-NH2 2.78Å; E446-V450 WeakPolarHBondContact O-CG1 3.24Å; E446-V450 WeakPolarHBondContact O-CG2 3.4Å; E446-V450 PolarHBondContact O-N 2.82Å; E446-V450 VanDerWaalsContact O-N 3.17Å
447L98.1Very high95Very high2 Ų230.5 Ų30.51%0.0116%0.161CC..Hα-helixtrans-58.6-40.5175.4-54.6-176.4000110.6V371 I415 V425 S427 A443 L444 V450 L451 I459V371-L447 HydrophobicContact CB-CD2 3.84Å; V371-L447 HydrophobicContact CG1-CD2 3.94Å; V371-L447 HydrophobicContact CG2-CD2 3.63Å; I415-L447 HydrophobicContact CD1-CD2 3.77Å; V425-L447 HydrophobicContact CG1-CB 4.16Å; V425-L447 HydrophobicContact CG1-CD2 3.72Å; V425-L447 HydrophobicContact CG1-CG 4.36Å; S427-L447 VanDerWaalsContact CB-CD1 3.5Å; A443-L447 WeakPolarHBondContact O-CG 3.49Å; A443-L447 PolarHBondContact O-N 3.37Å; A443-L447 VanDerWaalsContact O-N 3.1Å; L444-L447 HydrophobicContact CD2-CD1 4.2Å; L444-L447 WeakPolarHBondContact O-CB 3.31Å; L444-L447 PolarHBondContact O-N 3.16Å; L444-L447 VanDerWaalsContact O-N 3.15Å; L447-V450 WeakPolarHBondContact O-CG2 3.48Å; L447-L451 WeakPolarHBondContact O-CG 3.18Å; L447-I459 HydrophobicContact CD1-CD1 4.32Å; L447-I459 HydrophobicContact CD1-CG1 3.88Å
448I98Very high95.7Very high5 Ų528.9 Ų28.93%0.02615%0.148CC..Hα-helixtrans-73.6-40.2177.6-59.5-51.8000111.7L444 N445 E446 V450 L451 L551 C554 L570 K572L444-I448 WeakPolarHBondContact O-CG1 3.19Å; L444-I448 PolarHBondContact O-N 3.05Å; L444-I448 VanDerWaalsContact O-N 3.1Å; N445-I448 PolarHBondContact O-N 3Å; E446-I448 PolarHBondContact O-N 3.36Å; I448-V450 VanDerWaalsContact C-N 3.33Å; I448-V450 PolarHBondContact O-N 3.32Å; I448-L451 HydrophobicContact CD1-CD1 4.19Å; I448-L451 PolarHBondContact O-N 2.54Å; I448-L551 HydrophobicContact CG1-CD1 4.25Å; I448-C554 HydrophobicContact CD1-CB 3.68Å; I448-C554 HydrophobicContact CG1-CB 4.03Å; I448-C554 HydrophobicContact CG2-CB 4.04Å; I448-L570 HydrophobicContact CD1-CB 3.91Å; I448-L570 HydrophobicContact CD1-CD1 3.87Å; I448-L570 HydrophobicContact CG1-CD1 4.49Å; I448-K572 HydrophobicContact CG2-CB 4.49Å; I448-K572 HydrophobicContact CG2-CD 4.48Å; I448-K572 HydrophobicContact CG2-CG 4.15Å; I448-K572 WeakPolarHBondContact O-CD 3.48Å; I448-K572 PolarHBondContact O-NZ 3.1Å
449R97.2Very high96.3Very high34 Ų3424.6 Ų24.613%0.12813%0.128CC..Hα-helixtrans-56.3-47.9-179.7-174-178.558.368.33.1111.5I415 F417 D419 E420 N445 E446 L451 K572I415-R449 PolarHBondContact O-NH2 2.82Å; F417-R449 PolarHBondContact O-NH1 3.47Å; D419-R449 HydrophobicContact CB-CG 4.33Å; D419-R449 VanDerWaalsContact CG-CG 3.43Å; D419-R449 WeakPolarHBondContact OD1-CD 3.5Å; D419-R449 WeakPolarHBondContact OD1-CG 3.48Å; D419-R449 IonicContact OD1-CZ 2.67Å; D419-R449 IonicContact OD1-NE 3.64Å; D419-R449 IonicContact OD1-NH1 2.73Å; D419-R449 PolarHBondContact OD1-NH1 3.46Å; D419-R449 WeakPolarHBondContact OD2-CG 3.5Å; E420-R449 PolarHBondContact N-O 3.4Å; N445-R449 WeakPolarHBondContact O-CB 3.47Å; N445-R449 PolarHBondContact O-N 3.3Å; E446-R449 VanDerWaalsContact CD-NH2 3.34Å; E446-R449 PolarHBondContact O-N 2.9Å; E446-R449 IonicContact OE1-CZ 2.63Å; E446-R449 IonicContact OE1-NE 3.53Å; E446-R449 PolarHBondContact OE1-NE 3.28Å; E446-R449 IonicContact OE1-NH2 3.33Å; E446-R449 PolarHBondContact OE1-NH2 2.8Å; E446-R449 IonicContact OE2-CZ 3.05Å; E446-R449 IonicContact OE2-NE 3.65Å; E446-R449 IonicContact OE2-NH2 3.56Å; E446-R449 PolarHBondContact OE2-NH2 2.78Å; R449-L451 VanDerWaalsContact C-N 3.3Å; R449-L451 PolarHBondContact O-N 3.36Å; R449-K572 PolarHBondContact O-NZ 2.94Å; R449-K572 VanDerWaalsContact O-NZ 3.12Å
450V97.7Very high96.6Very high0 Ų023 Ų230%012%0.122CC..THydrogen-bonded Turntrans-76-14-176.5-55.50000114.1L369 I415 F417 T421 F422 V425 E446 L447 I448L369-V450 HydrophobicContact CD2-CG2 4.06Å; I415-V450 HydrophobicContact CB-CG1 4.2Å; I415-V450 HydrophobicContact CG2-CG1 3.87Å; F417-V450 HydrophobicContact CB-CG1 4.37Å; F417-V450 WeakPolarHBondContact O-CG1 3.46Å; T421-V450 PolarHBondContact N-O 2.99Å; F422-V450 HydrophobicContact CD2-CB 3.93Å; F422-V450 HydrophobicContact CD2-CG2 4.01Å; F422-V450 HydrophobicContact CE2-CB 4.36Å; F422-V450 PolarHBondContact N-O 2.9Å; V425-V450 HydrophobicContact CG2-CG2 3.83Å; E446-V450 WeakPolarHBondContact O-CG1 3.24Å; E446-V450 WeakPolarHBondContact O-CG2 3.4Å; E446-V450 PolarHBondContact O-N 2.82Å; E446-V450 VanDerWaalsContact O-N 3.17Å; L447-V450 WeakPolarHBondContact O-CG2 3.48Å; I448-V450 VanDerWaalsContact C-N 3.33Å; I448-V450 PolarHBondContact O-N 3.32Å
451L98.3Very high96.9Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-73.8142.7172.5-77.6170.8000111E420 F422 V425 L447 I448 R449 A457 K572E420-L451 VanDerWaalsContact CA-O 3.29Å; E420-L451 WeakPolarHBondContact CA-O 3.37Å; F422-L451 HydrophobicContact CB-CD2 4.49Å; F422-L451 WeakPolarHBondContact O-CA 3.14Å; F422-L451 WeakPolarHBondContact O-CD2 3.46Å; V425-L451 HydrophobicContact CB-CD2 4.19Å; V425-L451 HydrophobicContact CB-CG 4.42Å; V425-L451 HydrophobicContact CG2-CD2 3.57Å; V425-L451 HydrophobicContact CG2-CG 3.75Å; L447-L451 WeakPolarHBondContact O-CG 3.18Å; I448-L451 HydrophobicContact CD1-CD1 4.19Å; I448-L451 PolarHBondContact O-N 2.54Å; R449-L451 VanDerWaalsContact C-N 3.3Å; R449-L451 PolarHBondContact O-N 3.36Å; L451-A457 HydrophobicContact CD1-CB 3.8Å; L451-K572 HydrophobicContact CB-CB 4.13Å; L451-K572 HydrophobicContact CB-CD 4.14Å; L451-K572 WeakPolarHBondContact O-CD 3.36Å; L451-K572 WeakPolarHBondContact O-CE 3.33Å; L451-K572 PolarHBondContact O-NZ 2.96Å
452R97.6Very high97.2Very high93 Ų9321.1 Ų21.135%0.35111%0.111SC..EExtended strand (participates in β ladder)trans-68.8159.7163.970.4170.3-171.1-156.3-14.8111F422 D423 G454 G455F422-R452 PolarHBondContact O-N 2.74Å; D423-R452 VanDerWaalsContact OD1-CD 3.25Å; D423-R452 WeakPolarHBondContact OD1-CD 3.05Å; D423-R452 IonicContact OD1-CZ 2.89Å; D423-R452 IonicContact OD1-NE 2.81Å; D423-R452 PolarHBondContact OD1-NE 2.88Å; D423-R452 IonicContact OD1-NH1 2.68Å; D423-R452 PolarHBondContact OD1-NH1 2.98Å; D423-R452 IonicContact OD1-NH2 2.82Å; D423-R452 PolarHBondContact OD1-NH2 2.86Å; D423-R452 VanDerWaalsContact OD1-NH2 3.09Å; R452-G454 PolarHBondContact O-N 3.22Å; R452-G455 WeakPolarHBondContact O-CA 3.25Å; R452-G455 PolarHBondContact O-N 2.7Å
453P97.5Very high97.4Very high67 Ų6719.5 Ų19.544%0.43510%0.104SC..EExtended strand (participates in β ladder)trans-52.5131.7167.6-26.636000111.5G455P453-G455 PolarHBondContact O-N 3.32Å
454G97Very high97.2Very high39 Ų3921 Ų2140%0.40212%0.116SC..EExtended strand (participates in β ladder)trans71.74.9-171.800000115.4R452 K572R452-G454 PolarHBondContact O-N 3.22Å; G454-K572 PolarHBondContact N-O 3.01Å
455G97.7Very high96.9Very high0 Ų023.8 Ų23.80%013%0.129CC..EExtended strand (participates in β ladder)trans-76.2152.5169.800000111.5D423 R452 P453 E571 K572D423-G455 WeakPolarHBondContact O-CA 3.39Å; R452-G455 WeakPolarHBondContact O-CA 3.25Å; R452-G455 PolarHBondContact O-N 2.7Å; P453-G455 PolarHBondContact O-N 3.32Å; G455-E571 WeakPolarHBondContact O-CA 2.89Å; G455-K572 PolarHBondContact O-N 3.29Å
456Q98.3Very high96.7Very high57 Ų5720.8 Ų20.827%0.26611%0.113SC..EExtended strand (participates in β ladder)trans-119.8135.6-171.4-64.5-177.9-14.400114F358 D423 A424 V425 L557 L570 E571F358-Q456 HydrophobicContact CE2-CB 3.93Å; F358-Q456 HydrophobicContact CZ-CB 3.97Å; D423-Q456 PolarHBondContact O-N 3.12Å; A424-Q456 CarbonylContact C-O 3.51Å; A424-Q456 WeakPolarHBondContact CA-O 3.45Å; V425-Q456 PolarHBondContact N-O 2.88Å; Q456-L557 HydrophobicContact CG-CD1 4.39Å; Q456-L557 VanDerWaalsContact NE2-CD1 3.29Å; Q456-L570 CarbonylContact C-O 3.37Å; Q456-L570 WeakPolarHBondContact CA-O 3.47Å; Q456-E571 HydrophobicContact CG-CB 4.23Å; Q456-E571 HydrophobicContact CG-CG 4.22Å; Q456-E571 PolarHBondContact NE2-OE2 3.26Å
457A98.5Very high96.2Very high1 Ų123.6 Ų23.61%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-106.9130.9172.300000111V425 L451 I569 L570V425-A457 HydrophobicContact CB-CB 4.2Å; V425-A457 CarbonylContact O-C 3.43Å; V425-A457 VanDerWaalsContact O-CA 3.28Å; V425-A457 WeakPolarHBondContact O-CA 3.5Å; L451-A457 HydrophobicContact CD1-CB 3.8Å; A457-I569 CarbonylContact O-C 3.49Å; A457-I569 VanDerWaalsContact O-CA 3.31Å; A457-I569 WeakPolarHBondContact O-CA 3.49Å; A457-L570 HydrophobicContact CB-CB 4.42Å; A457-L570 PolarHBondContact N-O 3.16Å; A457-L570 PolarHBondContact O-N 2.82Å
458L98.6Very high95.6Very high0 Ų027.5 Ų27.50%015%0.146CC..EExtended strand (participates in β ladder)trans-104.2119.8169-177.771.8000110.5V355 F358 V425 L426 S427 I428 Y460 I569V355-L458 HydrophobicContact CB-CD2 4.19Å; V355-L458 HydrophobicContact CG1-CD2 4.18Å; V355-L458 HydrophobicContact CG2-CD2 3.96Å; F358-L458 HydrophobicContact CB-CD2 3.71Å; F358-L458 HydrophobicContact CD1-CB 3.88Å; F358-L458 HydrophobicContact CD1-CD2 3.95Å; F358-L458 HydrophobicContact CD2-CB 4.14Å; F358-L458 HydrophobicContact CD2-CD1 4.42Å; F358-L458 HydrophobicContact CE1-CB 3.9Å; F358-L458 HydrophobicContact CE2-CB 4.17Å; F358-L458 HydrophobicContact CG-CB 4Å; F358-L458 HydrophobicContact CG-CD1 4.46Å; F358-L458 HydrophobicContact CG-CD2 3.82Å; F358-L458 HydrophobicContact CG-CG 4.33Å; F358-L458 HydrophobicContact CZ-CB 4.05Å; V425-L458 PolarHBondContact O-N 3.01Å; L426-L458 HydrophobicContact CD2-CB 3.87Å; L426-L458 HydrophobicContact CD2-CD2 4.02Å; S427-L458 PolarHBondContact N-O 2.93Å; I428-L458 HydrophobicContact CD1-CD2 4.04Å; I428-L458 HydrophobicContact CD1-CG 4.19Å; L458-Y460 HydrophobicContact CD1-CD2 4.27Å; L458-Y460 HydrophobicContact CD1-CE2 3.86Å; L458-Y460 HydrophobicContact CD2-CD2 4.2Å; L458-Y460 HydrophobicContact CD2-CE2 3.79Å; L458-Y460 HydrophobicContact CG-CD2 3.98Å; L458-Y460 HydrophobicContact CG-CE2 3.87Å; L458-I569 HydrophobicContact CD1-CD1 4.18Å; L458-I569 HydrophobicContact CD1-CG1 3.51Å
459I98.5Very high95.1Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-114.4133.8-179.5-60146.5000109.1S427 I431 L444 L447 V461 L544 C567 A568 L570S427-I459 WeakPolarHBondContact O-CA 3.26Å; I431-I459 HydrophobicContact CD1-CG2 3.78Å; I431-I459 HydrophobicContact CG1-CG2 4.39Å; L444-I459 HydrophobicContact CD2-CD1 3.4Å; L444-I459 VanDerWaalsContact CD2-CD1 3.4Å; L444-I459 HydrophobicContact CD2-CG1 4.09Å; L447-I459 HydrophobicContact CD1-CD1 4.32Å; L447-I459 HydrophobicContact CD1-CG1 3.88Å; I459-V461 HydrophobicContact CG2-CG1 4.21Å; I459-L544 HydrophobicContact CG2-CD1 4.02Å; I459-L544 HydrophobicContact CG2-CD2 4.45Å; I459-C567 CarbonylContact O-C 3.59Å; I459-C567 VanDerWaalsContact O-CA 3.24Å; I459-C567 WeakPolarHBondContact O-CA 3.19Å; I459-A568 PolarHBondContact N-O 2.86Å; I459-A568 PolarHBondContact O-N 3.42Å; I459-L570 HydrophobicContact CD1-CD1 3.55Å; I459-L570 HydrophobicContact CD1-CG 3.99Å
460Y98.2Very high94.4Very high0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-127.4134170.3-88.9-118.9000110.4W352 G354 V355 S427 I428 A429 L458 Y560 E562 N565 W566 C567W352-Y460 HydrophobicContact CD2-CD1 4.35Å; W352-Y460 HydrophobicContact CD2-CE1 4.32Å; W352-Y460 AromaticContact CE3-CD1 3.17Å; W352-Y460 HydrophobicContact CE3-CD1 3.17Å; W352-Y460 AromaticContact CE3-CE1 3.45Å; W352-Y460 HydrophobicContact CE3-CE1 3.45Å; W352-Y460 VanDerWaalsContact CE3-CE1 3.45Å; W352-Y460 AromaticContact CE3-CG 3.93Å; W352-Y460 HydrophobicContact CE3-CG 3.93Å; W352-Y460 HydrophobicContact CH2-CD1 4.4Å; W352-Y460 AromaticContact CZ3-CD1 3.22Å; W352-Y460 HydrophobicContact CZ3-CD1 3.22Å; W352-Y460 AromaticContact CZ3-CE1 3.99Å; W352-Y460 HydrophobicContact CZ3-CE1 3.99Å; W352-Y460 AromaticContact CZ3-CG 3.82Å; W352-Y460 HydrophobicContact CZ3-CG 3.82Å; G354-Y460 VanDerWaalsContact CA-OH 3.24Å; G354-Y460 WeakPolarHBondContact CA-OH 3.42Å; V355-Y460 HydrophobicContact CG2-CD2 4.12Å; V355-Y460 HydrophobicContact CG2-CE1 4.33Å; V355-Y460 HydrophobicContact CG2-CE2 3.69Å; V355-Y460 PolarHBondContact N-OH 3.5Å; S427-Y460 PolarHBondContact O-N 2.66Å; I428-Y460 HydrophobicContact CD1-CD2 3.68Å; I428-Y460 HydrophobicContact CD1-CE2 4.45Å; I428-Y460 HydrophobicContact CD1-CG 4.15Å; I428-Y460 HydrophobicContact CG2-CG 4.37Å; A429-Y460 WeakPolarHBondContact CA-O 3.49Å; A429-Y460 PolarHBondContact N-O 3.11Å; L458-Y460 HydrophobicContact CD1-CD2 4.27Å; L458-Y460 HydrophobicContact CD1-CE2 3.86Å; L458-Y460 HydrophobicContact CD2-CD2 4.2Å; L458-Y460 HydrophobicContact CD2-CE2 3.79Å; L458-Y460 HydrophobicContact CG-CD2 3.98Å; L458-Y460 HydrophobicContact CG-CE2 3.87Å; Y460-Y560 WeakPolarHBondContact CE2-OH 3.36Å; Y460-Y560 PolarHBondContact OH-OH 3.42Å; Y460-E562 HydrophobicContact CE1-CB 4.19Å; Y460-E562 VanDerWaalsContact CE1-OE1 3.24Å; Y460-E562 WeakPolarHBondContact CE1-OE1 3.24Å; Y460-E562 PolarHBondContact OH-OE1 3.41Å; Y460-N565 HydrophobicContact CD1-CB 3.93Å; Y460-W566 WeakPolarHBondContact CA-O 3.36Å; Y460-C567 HydrophobicContact CD1-CB 4.42Å; Y460-C567 WeakPolarHBondContact CD1-SG 3.31Å; Y460-C567 HydrophobicContact CD2-CB 4.02Å; Y460-C567 HydrophobicContact CE1-CB 4.32Å; Y460-C567 WeakPolarHBondContact CE1-SG 3.42Å; Y460-C567 HydrophobicContact CE2-CB 3.83Å; Y460-C567 HydrophobicContact CG-CB 4.32Å
461V97.8Very high93.8Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-135.7154176.3-59.80000111.2I431 H432 I459 A463 F539 L544 N565 W566I431-V461 HydrophobicContact CD1-CG1 3.78Å; I431-V461 HydrophobicContact CG1-CG1 3.39Å; H432-V461 HydrophobicContact CB-CB 4.39Å; I459-V461 HydrophobicContact CG2-CG1 4.21Å; V461-A463 PolarHBondContact O-N 2.9Å; V461-F539 HydrophobicContact CB-CD2 3.53Å; V461-F539 HydrophobicContact CB-CE2 3.55Å; V461-F539 HydrophobicContact CB-CG 4.1Å; V461-F539 HydrophobicContact CB-CZ 4.09Å; V461-F539 HydrophobicContact CG1-CD2 4.15Å; V461-F539 HydrophobicContact CG1-CE1 4.43Å; V461-F539 HydrophobicContact CG1-CE2 3.65Å; V461-F539 HydrophobicContact CG1-CZ 3.77Å; V461-F539 HydrophobicContact CG2-CB 3.82Å; V461-F539 HydrophobicContact CG2-CD1 3.86Å; V461-F539 HydrophobicContact CG2-CD2 3.42Å; V461-F539 VanDerWaalsContact CG2-CD2 3.42Å; V461-F539 HydrophobicContact CG2-CE1 4.17Å; V461-F539 HydrophobicContact CG2-CE2 3.81Å; V461-F539 HydrophobicContact CG2-CG 3.43Å; V461-F539 VanDerWaalsContact CG2-CG 3.43Å; V461-F539 HydrophobicContact CG2-CZ 4.13Å; V461-L544 HydrophobicContact CG1-CD1 4.44Å; V461-L544 HydrophobicContact CG2-CB 4.34Å; V461-L544 HydrophobicContact CG2-CD1 4.36Å; V461-L544 HydrophobicContact CG2-CD2 3.98Å; V461-L544 HydrophobicContact CG2-CG 4.45Å; V461-N565 CarbonylContact O-C 3.47Å; V461-N565 WeakPolarHBondContact O-CA 3.16Å; V461-N565 VanDerWaalsContact O-CB 3.24Å; V461-N565 WeakPolarHBondContact O-CB 3.47Å; V461-W566 HydrophobicContact CG2-CB 3.9Å; V461-W566 PolarHBondContact N-O 3.41Å; V461-W566 PolarHBondContact O-N 3.47Å
462W96Very high93.3Very high25 Ų2549.5 Ų49.510%0.09526%0.262CS..EExtended strand (participates in β ladder)trans-65.8132177-8116.5000110.2H432 Y475 F505 V512 Y536 V538 F539 N565H432-W462 AromaticContact NE2-CD1 3.86Å; W462-Y475 HydrophobicContact CH2-CE2 4.31Å; W462-F505 HydrophobicContact CE3-CE1 4.35Å; W462-F505 HydrophobicContact CE3-CE2 4.47Å; W462-F505 AromaticContact CE3-CZ 3.67Å; W462-F505 HydrophobicContact CE3-CZ 3.67Å; W462-F505 HydrophobicContact CZ3-CE1 4.31Å; W462-F505 AromaticContact CZ3-CZ 3.89Å; W462-F505 HydrophobicContact CZ3-CZ 3.89Å; W462-V512 HydrophobicContact CZ3-CG1 4.47Å; W462-V512 HydrophobicContact CZ3-CG2 4.15Å; W462-Y536 AromaticContact CD2-CD1 3.85Å; W462-Y536 HydrophobicContact CD2-CD1 3.85Å; W462-Y536 AromaticContact CD2-CE1 3.71Å; W462-Y536 HydrophobicContact CD2-CE1 3.71Å; W462-Y536 AromaticContact CE2-CE1 3.74Å; W462-Y536 AromaticContact CE3-CD1 3.62Å; W462-Y536 HydrophobicContact CE3-CD1 3.62Å; W462-Y536 AromaticContact CE3-CE1 3.77Å; W462-Y536 HydrophobicContact CE3-CE1 3.77Å; W462-Y536 HydrophobicContact CE3-CG 4.31Å; W462-Y536 HydrophobicContact CG-CD1 4.39Å; W462-Y536 HydrophobicContact CG-CE1 4.39Å; W462-Y536 HydrophobicContact CH2-CD1 4.48Å; W462-Y536 AromaticContact CH2-CE1 3.92Å; W462-Y536 HydrophobicContact CH2-CE1 3.92Å; W462-Y536 AromaticContact CH2-CZ 4Å; W462-Y536 AromaticContact CZ2-CE1 3.85Å; W462-Y536 HydrophobicContact CZ2-CE1 3.85Å; W462-Y536 AromaticContact CZ3-CD1 3.97Å; W462-Y536 HydrophobicContact CZ3-CD1 3.97Å; W462-Y536 AromaticContact CZ3-CE1 3.87Å; W462-Y536 HydrophobicContact CZ3-CE1 3.87Å; W462-Y536 HydrophobicContact CZ3-CG 4.39Å; W462-V538 HydrophobicContact CB-CG1 4.19Å; W462-V538 HydrophobicContact CE3-CG1 4.35Å; W462-F539 PolarHBondContact O-N 3.07Å; W462-N565 VanDerWaalsContact CD1-OD1 3.29Å
463A95.6Very high92.8Very high0 Ų045.2 Ų45.20%025%0.246CC..BIsolated β-bridgetrans-81.4142.8173.900000110.7V461 E465 Q466 F505 F539 Y561 G564 W566V461-A463 PolarHBondContact O-N 2.9Å; A463-E465 PolarHBondContact O-N 2.73Å; A463-Q466 PolarHBondContact O-NE2 3.43Å; A463-F505 WeakPolarHBondContact O-CE2 3.45Å; A463-F539 CarbonylContact C-O 3.51Å; A463-F539 WeakPolarHBondContact CA-O 3.38Å; A463-Y561 HydrophobicContact CB-CD2 4.17Å; A463-Y561 HydrophobicContact CB-CE2 3.77Å; A463-G564 WeakPolarHBondContact CB-O 3.34Å; A463-G564 PolarHBondContact N-O 3Å; A463-W566 VanDerWaalsContact CB-CD1 3.43Å; A463-W566 HydrophobicContact CB-CG 4.13Å
464A92.1Very high92.2Very high33 Ų3348.8 Ų48.827%0.27325%0.254SS..SBendtrans-62.8-36.4165.700000110Q466 V538 F539A464-Q466 PolarHBondContact O-N 2.93Å; A464-V538 HydrophobicContact CB-CB 4.4Å; A464-V538 HydrophobicContact CB-CG2 4.01Å; A464-F539 PolarHBondContact N-O 3.29Å
465E90.4Very high91.5Very high59 Ų5948.4 Ų48.428%0.27624%0.241SC..  trans-80.297.5178.2-53.177.4-168.800110.7A463 D541 Y561 W566A463-E465 PolarHBondContact O-N 2.73Å; E465-D541 PolarHBondContact OE1-N 3.07Å; E465-D541 PolarHBondContact OE2-N 2.77Å; E465-Y561 VanDerWaalsContact O-CE2 3.29Å; E465-Y561 WeakPolarHBondContact O-CE2 3.41Å; E465-Y561 PolarHBondContact O-OH 3.17Å; E465-Y561 VanDerWaalsContact O-OH 3.11Å; E465-W566 PolarHBondContact OE2-NE1 3.13Å
466Q89.5Confident90.7Very high10 Ų1049.9 Ų49.95%0.04725%0.249CC..  trans-89.9-5.9176.9-67.6-62.4-45.400113.9A463 A464 S473 Y475 L476 F505 G564A463-Q466 PolarHBondContact O-NE2 3.43Å; A464-Q466 PolarHBondContact O-N 2.93Å; Q466-S473 VanDerWaalsContact O-CB 3.27Å; Q466-S473 WeakPolarHBondContact O-CB 3.26Å; Q466-S473 PolarHBondContact O-N 2.84Å; Q466-S473 PolarHBondContact O-OG 3.47Å; Q466-S473 PolarHBondContact OE1-OG 3.29Å; Q466-Y475 HydrophobicContact CG-CD1 4.18Å; Q466-L476 HydrophobicContact CB-CD1 3.64Å; Q466-L476 HydrophobicContact CB-CD2 4.28Å; Q466-L476 HydrophobicContact CB-CG 3.78Å; Q466-F505 HydrophobicContact CG-CD2 3.88Å; Q466-F505 HydrophobicContact CG-CE2 3.48Å; Q466-F505 VanDerWaalsContact CG-CE2 3.48Å; Q466-F505 HydrophobicContact CG-CZ 4.41Å; Q466-G564 PolarHBondContact NE2-O 3.27Å
467T88.7Confident89.7Confident70 Ų7053 Ų5343%0.42926%0.261SS..EExtended strand (participates in β ladder)trans-122.7126.1171.9-55.80000108D472 L476T467-D472 WeakPolarHBondContact CB-OD1 3.16Å; T467-D472 VanDerWaalsContact CG2-OD1 3.3Å; T467-D472 WeakPolarHBondContact CG2-OD1 3.29Å; T467-D472 PolarHBondContact OG1-OD1 3.09Å; T467-L476 WeakPolarHBondContact OG1-CD1 3.3Å
468R85.7Confident88.2Confident85 Ų8554.7 Ų54.732%0.32127%0.274SS..EExtended strand (participates in β ladder)trans-142138.6177.2-169174.7-177.5160.65.5110N470 E471 Y561R468-N470 VanDerWaalsContact C-N 3.25Å; R468-N470 PolarHBondContact O-N 3.29Å; R468-E471 PolarHBondContact N-O 3.04Å; R468-E471 PolarHBondContact O-N 3.37Å; R468-Y561 HydrophobicContact CB-CD1 4.31Å; R468-Y561 HydrophobicContact CB-CE1 3.75Å; R468-Y561 HydrophobicContact CG-CE1 4.44Å
469N86.2Confident86.1Confident141 Ų14163.8 Ų63.875%0.75431%0.313SS*.THydrogen-bonded Turntrans52.840.8-177.3-57.1-20.2000113.1E471N469-E471 PolarHBondContact O-N 3.29Å; N469-E471 VanDerWaalsContact O-N 3.16Å
470N82.8Confident83.9Confident166 Ų16673.5 Ų73.589%0.88835%0.35SS*.THydrogen-bonded Turntrans59.715.8-174.2-60-29.7000115.1R468R468-N470 VanDerWaalsContact C-N 3.25Å; R468-N470 PolarHBondContact O-N 3.29Å
471E86.1Confident81.5Confident126 Ų12678.6 Ų78.659%0.58937%0.372SS*.EExtended strand (participates in β ladder)trans-111.8118.8174.1-64.1-169.1172.600111.1R468 N469R468-E471 PolarHBondContact N-O 3.04Å; R468-E471 PolarHBondContact O-N 3.37Å; N469-E471 PolarHBondContact O-N 3.29Å; N469-E471 VanDerWaalsContact O-N 3.16Å
472D87.6Confident79Confident67 Ų6787.3 Ų87.336%0.35841%0.413SS..EExtended strand (participates in β ladder)trans-67.7139.8169.2-74.1-11.9000110.9T467 L476 K477T467-D472 WeakPolarHBondContact CB-OD1 3.16Å; T467-D472 VanDerWaalsContact CG2-OD1 3.3Å; T467-D472 WeakPolarHBondContact CG2-OD1 3.29Å; T467-D472 PolarHBondContact OG1-OD1 3.09Å; D472-L476 HydrophobicContact CB-CB 4.04Å; D472-L476 HydrophobicContact CB-CD1 4.33Å; D472-K477 HydrophobicContact CB-CD 4.34Å; D472-K477 HydrophobicContact CB-CG 3.9Å; D472-K477 WeakPolarHBondContact O-CD 3.48Å; D472-K477 WeakPolarHBondContact O-CE 3.27Å; D472-K477 PolarHBondContact O-NZ 3.21Å
473S86.8Confident76.4Confident3 Ų394.9 Ų94.92%0.02145%0.449CS..  trans-64.1162.8171.977.50000111.2Q466 Y475 L476 K477Q466-S473 VanDerWaalsContact O-CB 3.27Å; Q466-S473 WeakPolarHBondContact O-CB 3.26Å; Q466-S473 PolarHBondContact O-N 2.84Å; Q466-S473 PolarHBondContact O-OG 3.47Å; Q466-S473 PolarHBondContact OE1-OG 3.29Å; S473-Y475 PolarHBondContact O-N 2.94Å; S473-Y475 VanDerWaalsContact O-N 3.07Å; S473-Y475 VanDerWaalsContact OG-CB 3.3Å; S473-Y475 WeakPolarHBondContact OG-CB 3.49Å; S473-Y475 PolarHBondContact OG-N 3.35Å; S473-Y475 VanDerWaalsContact OG-N 3.15Å; S473-L476 PolarHBondContact O-N 3.22Å; S473-L476 VanDerWaalsContact O-N 3.12Å; S473-K477 PolarHBondContact O-N 3.13Å
474K84.2Confident74Confident142 Ų14298.3 Ų98.362%0.61747%0.467SS*.Hα-helixtrans-54.9-24.7168.9-77.2172-173.2-179.50112.8S478K474-S478 WeakPolarHBondContact O-CB 3.3Å; K474-S478 PolarHBondContact O-N 2.83Å
475Y82.2Confident71.5Confident31 Ų31100.7 Ų100.712%0.12248%0.48CS..Hα-helixtrans-64.9-48.7176.1178.3-97.7000111.1W462 Q466 S473 H499 N501 R502 F505W462-Y475 HydrophobicContact CH2-CE2 4.31Å; Q466-Y475 HydrophobicContact CG-CD1 4.18Å; S473-Y475 PolarHBondContact O-N 2.94Å; S473-Y475 VanDerWaalsContact O-N 3.07Å; S473-Y475 VanDerWaalsContact OG-CB 3.3Å; S473-Y475 WeakPolarHBondContact OG-CB 3.49Å; S473-Y475 PolarHBondContact OG-N 3.35Å; S473-Y475 VanDerWaalsContact OG-N 3.15Å; Y475-H499 AromaticContact CZ-NE2 3.84Å; Y475-H499 PolarHBondContact OH-CD2 3.06Å; Y475-H499 VanDerWaalsContact OH-CD2 3.31Å; Y475-H499 PolarHBondContact OH-NE2 3.27Å; Y475-N501 WeakPolarHBondContact OH-CA 3.48Å; Y475-R502 VanDerWaalsContact CD2-NH1 3.34Å; Y475-R502 WeakPolarHBondContact O-CD 3.37Å; Y475-R502 PolarHBondContact O-NH1 2.99Å; Y475-R502 PolarHBondContact OH-N 3.33Å; Y475-F505 HydrophobicContact CE1-CZ 4.22Å
476L81Confident69.1Low32 Ų32106 Ų10617%0.16851%0.505CS..Hα-helixtrans-73.7-35.9178.3-64.5177.8000112.4Q466 T467 D472 S473 S478Q466-L476 HydrophobicContact CB-CD1 3.64Å; Q466-L476 HydrophobicContact CB-CD2 4.28Å; Q466-L476 HydrophobicContact CB-CG 3.78Å; T467-L476 WeakPolarHBondContact OG1-CD1 3.3Å; D472-L476 HydrophobicContact CB-CB 4.04Å; D472-L476 HydrophobicContact CB-CD1 4.33Å; S473-L476 PolarHBondContact O-N 3.22Å; S473-L476 VanDerWaalsContact O-N 3.12Å; L476-S478 VanDerWaalsContact C-N 3.29Å; L476-S478 PolarHBondContact O-N 2.9Å
477K77.8Confident66.8Low121 Ų121111.9 Ų111.953%0.52653%0.532SS..Hα-helixtrans-69.6-18.7-177.7-72.6172.1170.3152.70114.9D472 S473 K479D472-K477 HydrophobicContact CB-CD 4.34Å; D472-K477 HydrophobicContact CB-CG 3.9Å; D472-K477 WeakPolarHBondContact O-CD 3.48Å; D472-K477 WeakPolarHBondContact O-CE 3.27Å; D472-K477 PolarHBondContact O-NZ 3.21Å; S473-K477 PolarHBondContact O-N 3.13Å; K477-K479 PolarHBondContact O-N 3.21Å; K477-K479 VanDerWaalsContact O-N 3.14Å
478S65.9Low64.3Low38 Ų38113.9 Ų113.927%0.26655%0.549SS..  trans-79102.2-172.4-1760000112.3K474 L476 R480 R502K474-S478 WeakPolarHBondContact O-CB 3.3Å; K474-S478 PolarHBondContact O-N 2.83Å; L476-S478 VanDerWaalsContact C-N 3.29Å; L476-S478 PolarHBondContact O-N 2.9Å; S478-R480 PolarHBondContact O-N 3.12Å; S478-R502 VanDerWaalsContact CB-CZ 3.47Å; S478-R502 WeakPolarHBondContact O-CD 3.42Å; S478-R502 PolarHBondContact O-NE 3.36Å; S478-R502 VanDerWaalsContact O-NE 3.16Å; S478-R502 PolarHBondContact OG-NH2 3.49Å
479K55.4Low62.1Low191 Ų191114.8 Ų114.883%0.8356%0.564SS**THydrogen-bonded Turntrans-72.44.1175.4-61.4-171.1178.2-173.80115.1K477 F481K477-K479 PolarHBondContact O-N 3.21Å; K477-K479 VanDerWaalsContact O-N 3.14Å; K479-F481 PolarHBondContact O-N 2.99Å; K479-F481 VanDerWaalsContact O-N 3.13Å
480R51.3Low59.9Low204 Ų204111.6 Ų111.677%0.7756%0.558SS**THydrogen-bonded Turntrans-71.6-6.4-168.4-104.3-174.5-172.9173.92.9115.7S478S478-R480 PolarHBondContact O-N 3.12Å
481F48.9Very low58Low106 Ų106111.7 Ų111.747%0.46556%0.558SS.*SBendtrans-133.185.6177.7-75.7-87.5000108.4K479 K515K479-F481 PolarHBondContact O-N 2.99Å; K479-F481 VanDerWaalsContact O-N 3.13Å; F481-K515 HydrophobicContact CE1-CB 4.08Å
482E44.9Very low56.7Low184 Ų184112.1 Ų112.186%0.8656%0.56SS**  trans-64.9144.6168.2-77.3175.5166.400110.3
483Q41.6Very low55.8Low183 Ų183118.6 Ų118.686%0.85559%0.588SS**  trans-12.6116.3-175.7-70.6163.7-14.300116.7
484L44.6Very low55.5Low72 Ų72120.7 Ų120.738%0.37760%0.599SS.*  trans-64.6133156-101.4155.5000108.3P513 P531L484-P513 HydrophobicContact CD1-CB 4.29Å; L484-P531 HydrophobicContact CD2-CG 4.41Å
485P39.6Very low55.4Low84 Ų84117.2 Ų117.255%0.54559%0.591SS.*  trans-54.9141.7169-19.730.6000109.9E487P485-E487 HydrophobicContact CB-CG 4.27Å; P485-E487 PolarHBondContact O-N 3.23Å
486E40.5Very low55.6Low171 Ų171118.2 Ų118.280%0.79960%0.596SS**  trans-67.282.2164.8-73.8-169.8155.900107.9K500E486-K500 IonicContact OE1-NZ 2.7Å; E486-K500 PolarHBondContact OE1-NZ 3.44Å
487E40.7Very low55.8Low133 Ų133121.2 Ų121.262%0.62161%0.611SS**  trans-89.4117.4170.1-84.5174.3-16600108.3P485 T489P485-E487 HydrophobicContact CB-CG 4.27Å; P485-E487 PolarHBondContact O-N 3.23Å; E487-T489 PolarHBondContact O-N 3.4Å
488S37.2Very low56.4Low111 Ų111118 Ų11878%0.77660%0.601SS**  trans-49.1110.6167.953.40000109.2A490S488-A490 PolarHBondContact O-N 2.93Å
489T39.6Very low57.5Low104 Ų104116.6 Ų116.664%0.63859%0.591SS**  trans-64.295.9161.846.10000106.7E487 D491E487-T489 PolarHBondContact O-N 3.4Å; T489-D491 PolarHBondContact O-N 3.44Å
490A39.6Very low58.9Low75 Ų75111.9 Ų111.962%0.6257%0.57SS**  trans-59.4126.7171.200000109.6S488 E492S488-A490 PolarHBondContact O-N 2.93Å; A490-E492 PolarHBondContact O-N 3.46Å; A490-E492 VanDerWaalsContact O-N 3.14Å
491D43.1Very low60.3Low168 Ų168104.7 Ų104.790%0.89855%0.547SS*.SBendtrans61.69152.4-56.9-24.9000122.3T489T489-D491 PolarHBondContact O-N 3.44Å
492E58.3Low61.7Low135 Ų135103.1 Ų103.163%0.63154%0.538SS*.  trans-111.9119.4166.3-76.9-170.3-176.500112.2K331 A490 L494K331-E492 IonicContact NZ-OE2 3.55Å; A490-E492 PolarHBondContact O-N 3.46Å; A490-E492 VanDerWaalsContact O-N 3.14Å; E492-L494 PolarHBondContact O-N 3.25Å
493E68.6Low63.5Low203 Ų203100.6 Ų100.695%0.94952%0.521SS*.  trans-63.5101.4166.7-77-175.2165.700109.5
494L79.6Confident65.5Low46 Ų4696.3 Ų96.324%0.24151%0.509CS..  trans-76141.9175.6-68.5174.4000110.6E492 F496 V498 L511 L533E492-L494 PolarHBondContact O-N 3.25Å; L494-F496 VanDerWaalsContact C-N 3.27Å; L494-F496 PolarHBondContact O-N 3.42Å; L494-V498 HydrophobicContact CD1-CG2 3.54Å; L494-L511 HydrophobicContact CB-CD1 4.36Å; L494-L511 HydrophobicContact CD1-CD1 4.32Å; L494-L511 HydrophobicContact CD2-CD1 4.31Å; L494-L533 HydrophobicContact CD1-CD1 4Å; L494-L533 HydrophobicContact CD2-CD1 4.46Å
495P82.1Confident67.5Low69 Ų6994.2 Ų94.245%0.44850%0.496SS..SBendtrans-72.5-15.9-176.227.4-33.8000114.3Y332Y332-P495 HydrophobicContact CE2-CG 3.7Å
496F86.9Confident69.5Low52 Ų5296.5 Ų96.523%0.22850%0.5CS..SBendtrans-143.9160.3178.9-49.4-85.5000111.6V328 L494 V498 D509 L511 Y535V328-F496 HydrophobicContact CB-CE2 4.36Å; V328-F496 HydrophobicContact CG1-CE2 3.59Å; V328-F496 HydrophobicContact CG1-CZ 4.2Å; V328-F496 HydrophobicContact CG2-CE2 3.76Å; V328-F496 HydrophobicContact CG2-CZ 4.21Å; L494-F496 VanDerWaalsContact C-N 3.27Å; L494-F496 PolarHBondContact O-N 3.42Å; F496-V498 PolarHBondContact O-N 3.12Å; F496-D509 HydrophobicContact CD1-CB 3.66Å; F496-D509 HydrophobicContact CE1-CB 3.83Å; F496-L511 HydrophobicContact CB-CG 4.21Å; F496-L511 HydrophobicContact CD2-CD2 4.47Å; F496-Y535 HydrophobicContact CD1-CE2 4.34Å; F496-Y535 AromaticContact CD2-CD2 3.88Å; F496-Y535 HydrophobicContact CD2-CD2 3.88Å; F496-Y535 HydrophobicContact CD2-CE2 4.28Å; F496-Y535 AromaticContact CE1-CE2 3.99Å; F496-Y535 HydrophobicContact CE1-CE2 3.99Å; F496-Y535 AromaticContact CE2-CD2 3.73Å; F496-Y535 HydrophobicContact CE2-CD2 3.73Å; F496-Y535 AromaticContact CE2-CE2 3.95Å; F496-Y535 HydrophobicContact CE2-CE2 3.95Å; F496-Y535 HydrophobicContact CG-CD2 4.38Å; F496-Y535 HydrophobicContact CG-CE2 4.48Å; F496-Y535 HydrophobicContact CZ-CD2 4.07Å; F496-Y535 AromaticContact CZ-CE2 3.79Å; F496-Y535 HydrophobicContact CZ-CE2 3.79Å
497I86.2Confident71.6Confident96 Ų9690.1 Ų90.149%0.49248%0.476SS..EExtended strand (participates in β ladder)trans-63.3133.9176.7-60.2172.5000109.9H499 A507 L510 L511I497-H499 PolarHBondContact O-N 3.16Å; I497-A507 HydrophobicContact CD1-CB 4.43Å; I497-L510 WeakPolarHBondContact O-CA 3.44Å; I497-L511 PolarHBondContact O-N 3.14Å
498V90Very high73.8Confident52 Ų5285.8 Ų85.832%0.31546%0.463SS..EExtended strand (participates in β ladder)trans-80.7116.6172.5-177.50000109.5L494 F496 L511 P513 L533L494-V498 HydrophobicContact CD1-CG2 3.54Å; F496-V498 PolarHBondContact O-N 3.12Å; V498-L511 CarbonylContact C-O 3.59Å; V498-L511 WeakPolarHBondContact CA-O 3.27Å; V498-L511 HydrophobicContact CG2-CB 4.23Å; V498-L511 HydrophobicContact CG2-CD1 4.37Å; V498-P513 HydrophobicContact CG1-CG 3.73Å; V498-L533 HydrophobicContact CG1-CD2 3.84Å; V498-L533 HydrophobicContact CG2-CD1 3.98Å; V498-L533 HydrophobicContact CG2-CD2 4.43Å
499H88.2Confident76.4Confident10 Ų1083.1 Ų83.15%0.04644%0.44CS..PPolyproline II helixtrans-71.4132.9-178.3176.366.6000112.6Y475 I497 N501 R503 P504 F505 L510 L511 P513Y475-H499 AromaticContact CZ-NE2 3.84Å; Y475-H499 PolarHBondContact OH-CD2 3.06Å; Y475-H499 VanDerWaalsContact OH-CD2 3.31Å; Y475-H499 PolarHBondContact OH-NE2 3.27Å; I497-H499 PolarHBondContact O-N 3.16Å; H499-N501 PolarHBondContact O-N 3.29Å; H499-R503 PolarHBondContact CE1-O 2.79Å; H499-P504 PolarHBondContact CE1-O 3.47Å; H499-F505 AromaticContact CD2-CE1 3.85Å; H499-F505 AromaticContact CE1-CD1 3.5Å; H499-F505 AromaticContact CE1-CE1 3.79Å; H499-F505 AromaticContact ND1-CD1 3.61Å; H499-F505 AromaticContact NE2-CD1 3.85Å; H499-F505 AromaticContact NE2-CE1 3.64Å; H499-L510 HydrophobicContact CB-CB 4.32Å; H499-L510 HydrophobicContact CB-CD1 3.36Å; H499-L510 HydrophobicContact CB-CG 4.45Å; H499-L511 PolarHBondContact N-O 2.85Å; H499-P513 WeakPolarHBondContact O-CD 3.26Å
500K85.6Confident78.9Confident92 Ų9278.3 Ų78.340%0.441%0.411SS..  trans-78101.9170.6-63.9-171-177-169.10109.3E486 R502 R503E486-K500 IonicContact OE1-NZ 2.7Å; E486-K500 PolarHBondContact OE1-NZ 3.44Å; K500-R502 PolarHBondContact O-N 2.96Å; K500-R503 HydrophobicContact CB-CG 4.35Å; K500-R503 WeakPolarHBondContact O-CB 3.29Å; K500-R503 PolarHBondContact O-N 3.05Å
501N81.1Confident81.5Confident53 Ų5374.8 Ų74.828%0.28338%0.381SS..THydrogen-bonded Turntrans-44.5138.4-178.5-81.6-26.2000113Y475 H499 R503 P513Y475-N501 WeakPolarHBondContact OH-CA 3.48Å; H499-N501 PolarHBondContact O-N 3.29Å; N501-R503 VanDerWaalsContact C-N 3.31Å; N501-P513 PolarHBondContact ND2-O 2.74Å; N501-P513 VanDerWaalsContact ND2-O 3.1Å
502R78.5Confident83.8Confident73 Ų7366.9 Ų66.928%0.27534%0.339SS..THydrogen-bonded Turntrans69.722.3178.9-45.4-64.6-179.8-162.8-0.3114.4Y475 S478 K500Y475-R502 VanDerWaalsContact CD2-NH1 3.34Å; Y475-R502 WeakPolarHBondContact O-CD 3.37Å; Y475-R502 PolarHBondContact O-NH1 2.99Å; Y475-R502 PolarHBondContact OH-N 3.33Å; S478-R502 VanDerWaalsContact CB-CZ 3.47Å; S478-R502 WeakPolarHBondContact O-CD 3.42Å; S478-R502 PolarHBondContact O-NE 3.36Å; S478-R502 VanDerWaalsContact O-NE 3.16Å; S478-R502 PolarHBondContact OG-NH2 3.49Å; K500-R502 PolarHBondContact O-N 2.96Å
503R82.6Confident85.4Confident131 Ų13161 Ų6149%0.49431%0.313SS..SBendtrans-115.2165.8169.2-62.3-164.8178.5-169.2-1.1110.3H499 K500 N501H499-R503 PolarHBondContact CE1-O 2.79Å; K500-R503 HydrophobicContact CB-CG 4.35Å; K500-R503 WeakPolarHBondContact O-CB 3.29Å; K500-R503 PolarHBondContact O-N 3.05Å; N501-R503 VanDerWaalsContact C-N 3.31Å
504P82.8Confident86.2Confident93 Ų9352.4 Ų52.460%0.60427%0.272SS*.  trans-52.9148.1166.3-25.836000111.3H499H499-P504 PolarHBondContact CE1-O 3.47Å
505F86.8Confident86.1Confident27 Ų2754 Ų5412%0.11828%0.277CS..  trans-74.1130.3175.5-64.1-64.8000110.1W462 A463 Q466 Y475 H499 L510 V538W462-F505 HydrophobicContact CE3-CE1 4.35Å; W462-F505 HydrophobicContact CE3-CE2 4.47Å; W462-F505 AromaticContact CE3-CZ 3.67Å; W462-F505 HydrophobicContact CE3-CZ 3.67Å; W462-F505 HydrophobicContact CZ3-CE1 4.31Å; W462-F505 AromaticContact CZ3-CZ 3.89Å; W462-F505 HydrophobicContact CZ3-CZ 3.89Å; A463-F505 WeakPolarHBondContact O-CE2 3.45Å; Q466-F505 HydrophobicContact CG-CD2 3.88Å; Q466-F505 HydrophobicContact CG-CE2 3.48Å; Q466-F505 VanDerWaalsContact CG-CE2 3.48Å; Q466-F505 HydrophobicContact CG-CZ 4.41Å; Y475-F505 HydrophobicContact CE1-CZ 4.22Å; H499-F505 AromaticContact CD2-CE1 3.85Å; H499-F505 AromaticContact CE1-CD1 3.5Å; H499-F505 AromaticContact CE1-CE1 3.79Å; H499-F505 AromaticContact ND1-CD1 3.61Å; H499-F505 AromaticContact NE2-CD1 3.85Å; H499-F505 AromaticContact NE2-CE1 3.64Å; F505-L510 HydrophobicContact CD1-CD1 3.55Å; F505-L510 HydrophobicContact CD1-CD2 4.08Å; F505-L510 HydrophobicContact CE1-CD1 3.73Å; F505-V538 HydrophobicContact CB-CG2 3.91Å; F505-V538 HydrophobicContact CD1-CG1 4.06Å; F505-V538 HydrophobicContact CD2-CB 4.15Å; F505-V538 HydrophobicContact CD2-CG1 3.81Å; F505-V538 HydrophobicContact CD2-CG2 4.13Å; F505-V538 HydrophobicContact CE1-CG1 4.02Å; F505-V538 HydrophobicContact CE2-CB 4.43Å; F505-V538 HydrophobicContact CE2-CG1 3.74Å; F505-V538 HydrophobicContact CG-CB 4.39Å; F505-V538 HydrophobicContact CG-CG1 3.96Å; F505-V538 HydrophobicContact CG-CG2 3.98Å; F505-V538 HydrophobicContact CZ-CG1 3.86Å
506E81.6Confident85.3Confident133 Ų13353.3 Ų53.362%0.62127%0.274SS*.SBendtrans-93.4-12.5-175.4-63.8174.4-16400112.6
507A84.1Confident83.9Confident36 Ų3653 Ų5330%0.29828%0.281SS..SBendtrans-149.5161.6177.800000109.6I497 L510 V538I497-A507 HydrophobicContact CD1-CB 4.43Å; A507-L510 WeakPolarHBondContact O-CD2 3.47Å; A507-V538 WeakPolarHBondContact O-CG2 3.36Å
508A87.3Confident82.2Confident43 Ų4358.2 Ų58.236%0.35530%0.3SS..SBendtrans-71-40.6172.400000111.3L510 H537 V538A508-L510 WeakPolarHBondContact O-CD2 3.43Å; A508-H537 CarbonylContact O-C 3.5Å; A508-H537 VanDerWaalsContact O-CA 3.26Å; A508-H537 WeakPolarHBondContact O-CA 3.23Å; A508-V538 WeakPolarHBondContact O-CG2 3.39Å; A508-V538 PolarHBondContact O-N 2.87Å
509D91.2Very high80Confident54 Ų5463.3 Ų63.329%0.28932%0.318SS..EExtended strand (participates in β ladder)trans-105.1119.1179.8-62.8-60.2000110.9F496 Y535 H537F496-D509 HydrophobicContact CD1-CB 3.66Å; F496-D509 HydrophobicContact CE1-CB 3.83Å; D509-Y535 HydrophobicContact CB-CE2 4.02Å; D509-Y535 PolarHBondContact OD1-OH 3.25Å; D509-H537 IonicContact OD1-CE1 2.95Å; D509-H537 IonicContact OD1-CG 3.27Å; D509-H537 IonicContact OD1-ND1 3.3Å; D509-H537 PolarHBondContact OD1-ND1 3.12Å; D509-H537 IonicContact OD2-ND1 2.67Å
510L92.8Very high77.5Confident4 Ų468.7 Ų68.72%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-149.1157.6-173.153.6135.3000113.3I497 H499 F505 A507 A508 V512 Y536 V538I497-L510 WeakPolarHBondContact O-CA 3.44Å; H499-L510 HydrophobicContact CB-CB 4.32Å; H499-L510 HydrophobicContact CB-CD1 3.36Å; H499-L510 HydrophobicContact CB-CG 4.45Å; F505-L510 HydrophobicContact CD1-CD1 3.55Å; F505-L510 HydrophobicContact CD1-CD2 4.08Å; F505-L510 HydrophobicContact CE1-CD1 3.73Å; A507-L510 WeakPolarHBondContact O-CD2 3.47Å; A508-L510 WeakPolarHBondContact O-CD2 3.43Å; L510-V512 HydrophobicContact CD1-CG2 3.47Å; L510-V512 VanDerWaalsContact CD1-CG2 3.47Å; L510-V512 HydrophobicContact CG-CG2 4.42Å; L510-Y536 PolarHBondContact N-O 3.18Å; L510-Y536 PolarHBondContact O-N 2.99Å; L510-V538 HydrophobicContact CD2-CB 4.47Å; L510-V538 HydrophobicContact CD2-CG1 3.97Å; L510-V538 HydrophobicContact CD2-CG2 3.75Å
511L93.1Very high75.3Confident0 Ų068 Ų680%038%0.375CS..EExtended strand (participates in β ladder)trans-95.7117.3168.8-67.3177.8000110Y332 L494 F496 I497 V498 H499 L533 R534Y332-L511 HydrophobicContact CD1-CD1 4.33Å; Y332-L511 HydrophobicContact CD1-CD2 3.64Å; Y332-L511 HydrophobicContact CD2-CD2 4.26Å; Y332-L511 HydrophobicContact CE1-CD1 3.99Å; Y332-L511 HydrophobicContact CE1-CD2 4.14Å; Y332-L511 HydrophobicContact CG-CD2 3.71Å; L494-L511 HydrophobicContact CB-CD1 4.36Å; L494-L511 HydrophobicContact CD1-CD1 4.32Å; L494-L511 HydrophobicContact CD2-CD1 4.31Å; F496-L511 HydrophobicContact CB-CG 4.21Å; F496-L511 HydrophobicContact CD2-CD2 4.47Å; I497-L511 PolarHBondContact O-N 3.14Å; V498-L511 CarbonylContact C-O 3.59Å; V498-L511 WeakPolarHBondContact CA-O 3.27Å; V498-L511 HydrophobicContact CG2-CB 4.23Å; V498-L511 HydrophobicContact CG2-CD1 4.37Å; H499-L511 PolarHBondContact N-O 2.85Å; L511-L533 HydrophobicContact CB-CB 4.21Å; L511-L533 HydrophobicContact CD1-CB 4.34Å; L511-L533 HydrophobicContact CD1-CD1 3.92Å; L511-L533 HydrophobicContact CD2-CB 4.49Å; L511-R534 CarbonylContact C-O 3.58Å; L511-R534 WeakPolarHBondContact CA-O 3.44Å
512V91.7Very high73.1Confident3 Ų374.6 Ų74.62%0.01840%0.402CS..EExtended strand (participates in β ladder)trans-96.6118.3178.5-178.20000110.1W462 L510 R534 Y536W462-V512 HydrophobicContact CZ3-CG1 4.47Å; W462-V512 HydrophobicContact CZ3-CG2 4.15Å; L510-V512 HydrophobicContact CD1-CG2 3.47Å; L510-V512 VanDerWaalsContact CD1-CG2 3.47Å; L510-V512 HydrophobicContact CG-CG2 4.42Å; V512-R534 PolarHBondContact N-O 3.46Å; V512-R534 PolarHBondContact O-N 2.97Å; V512-Y536 HydrophobicContact CB-CD2 3.77Å; V512-Y536 HydrophobicContact CB-CE2 3.96Å; V512-Y536 HydrophobicContact CG2-CD2 3.45Å; V512-Y536 VanDerWaalsContact CG2-CD2 3.45Å; V512-Y536 HydrophobicContact CG2-CE2 4.05Å; V512-Y536 HydrophobicContact CG2-CG 3.92Å
513P91.7Very high70.7Confident12 Ų1276.2 Ų76.28%0.07843%0.43CS..EExtended strand (participates in β ladder)trans-66.8131.9176.8-19.531.5000112.7L484 V498 H499 N501 P531 L533L484-P513 HydrophobicContact CD1-CB 4.29Å; V498-P513 HydrophobicContact CG1-CG 3.73Å; H499-P513 WeakPolarHBondContact O-CD 3.26Å; N501-P513 PolarHBondContact ND2-O 2.74Å; N501-P513 VanDerWaalsContact ND2-O 3.1Å; P513-P531 HydrophobicContact CB-CB 4Å; P513-P531 HydrophobicContact CB-CG 4.43Å; P513-L533 HydrophobicContact CB-CD2 4.15Å; P513-L533 HydrophobicContact CG-CD2 3.98Å
514W85.4Confident68.3Low21 Ų2176.7 Ų76.78%0.0844%0.443CS..EExtended strand (participates in β ladder)trans-113.3127.1170.4-177.7-84.9000110.9I340 F344 P531 V532I340-W514 HydrophobicContact CD1-CD2 3.67Å; I340-W514 HydrophobicContact CD1-CE3 4.15Å; I340-W514 HydrophobicContact CD1-CG 3.87Å; I340-W514 HydrophobicContact CD1-CZ2 4.19Å; I340-W514 HydrophobicContact CG2-CG 4.3Å; F344-W514 HydrophobicContact CB-CZ2 4.37Å; F344-W514 HydrophobicContact CD2-CH2 4.04Å; W514-P531 WeakPolarHBondContact O-CA 3.22Å; W514-V532 PolarHBondContact N-O 3.44Å; W514-V532 PolarHBondContact O-N 3.22Å
515K78.2Confident65.7Low80 Ų8077.7 Ų77.735%0.34845%0.45SS..  trans-109128.6169.5-74.4-169176.1-176.40110.1F481 A517 P531F481-K515 HydrophobicContact CE1-CB 4.08Å; K515-A517 PolarHBondContact O-N 2.98Å; K515-P531 HydrophobicContact CG-CB 3.99Å
516S65.4Low63.1Low55 Ų5580.8 Ų80.839%0.38549%0.49SS..PPolyproline II helixtrans-63.5131.6170.4-159.60000109.2S343 K518S343-S516 WeakPolarHBondContact CB-OG 3.38Å; S343-S516 PolarHBondContact OG-OG 3.36Å; S516-K518 PolarHBondContact O-N 3.26Å
517A57Low60.8Low46 Ų4683.3 Ų83.338%0.3850%0.502SS..PPolyproline II helixtrans-68.2120.3171.300000108K515 K519K515-A517 PolarHBondContact O-N 2.98Å; A517-K519 PolarHBondContact O-N 3.49Å
518K51Low59.1Low205 Ų20586.5 Ų86.589%0.89152%0.522SS*.PPolyproline II helixtrans-47.5129.5178-72.2-174.3176.2-1760109.6S516 S520S516-K518 PolarHBondContact O-N 3.26Å; K518-S520 PolarHBondContact O-N 3.15Å
519K43Very low57.8Low158 Ų15892.1 Ų92.169%0.68754%0.541SS*.  trans-59.5110.9167.6-82.6-177.4178174.70107A517 G521A517-K519 PolarHBondContact O-N 3.49Å; K519-G521 PolarHBondContact O-N 3.22Å
520S37.3Very low56.8Low124 Ų12498.1 Ų98.187%0.86756%0.564SS**THydrogen-bonded Turntrans-58.1102.9166.651.10000107.8K518K518-S520 PolarHBondContact O-N 3.15Å
521G37.6Very low56.3Low76 Ų76100 Ų10078%0.78458%0.577SS**THydrogen-bonded Turntrans145.9-2.3173.100000118.8K519K519-G521 PolarHBondContact O-N 3.22Å
522K34.8Very low56.1Low193 Ų193101.3 Ų101.384%0.83959%0.585SS**  trans-130.8105.6167.9-82.1-171.8174.2-1740110.8D524K522-D524 PolarHBondContact O-N 2.9Å
523A29.6Very low56.2Low106 Ų106102.8 Ų102.888%0.87659%0.592SS**  trans-77.1103.5160.100000106.8
524D32.2Very low56.3Low141 Ų141102.4 Ų102.475%0.75459%0.589SS**  trans-154.6122.5164.7-129.9-6000109.9K522K522-D524 PolarHBondContact O-N 2.9Å
525C28.7Very low56.7Low114 Ų114101.4 Ų101.477%0.7759%0.586SS**  trans48.385.3157-51.60000120.2E527C525-E527 PolarHBondContact O-N 3.45Å
526G30.9Very low57.6Low92 Ų9297.9 Ų97.995%0.94857%0.57SS**  75.5-21.3113.900000123.3
527E34.3Very low59Low186 Ų18695.7 Ų95.787%0.86955%0.554SS**  trans-107.2118.5179.9-80.5-177.6168.200112.1C525 E529C525-E527 PolarHBondContact O-N 3.45Å; E527-E529 PolarHBondContact O-N 2.58Å; E527-E529 VanDerWaalsContact O-N 3.1Å
528S47.6Very low60.7Low103 Ų10393.6 Ų93.672%0.7254%0.536SS*.  trans-67105.2168.951.80000109.4K530S528-K530 PolarHBondContact O-N 3.25Å; S528-K530 VanDerWaalsContact O-N 3.16Å
529E59.5Low62.8Low162 Ų16283.9 Ų83.976%0.75749%0.494SS*.PPolyproline II helixtrans-52.6122.5172.5-84.4-177.216200110.3E527E527-E529 PolarHBondContact O-N 2.58Å; E527-E529 VanDerWaalsContact O-N 3.1Å
530K71.3Confident65.1Low179 Ų17978.3 Ų78.378%0.77848%0.478SS*.PPolyproline II helixtrans-59.5138.4174.6-71.6-175.9177.9-178.80109.5S528S528-K530 PolarHBondContact O-N 3.25Å; S528-K530 VanDerWaalsContact O-N 3.16Å
531P82.5Confident67.7Low43 Ų4377 Ų7728%0.27946%0.461SS..PPolyproline II helixtrans-63.1140.417727.8-33.9000110.5L484 P513 W514 K515L484-P531 HydrophobicContact CD2-CG 4.41Å; P513-P531 HydrophobicContact CB-CB 4Å; P513-P531 HydrophobicContact CB-CG 4.43Å; W514-P531 WeakPolarHBondContact O-CA 3.22Å; K515-P531 HydrophobicContact CG-CB 3.99Å
532V88.9Confident70.2Confident29 Ų2974.4 Ų74.418%0.17643%0.434CS..EExtended strand (participates in β ladder)trans-83133.1173.4-165.30000108.7V336 I340 W514V336-V532 HydrophobicContact CB-CG1 4.02Å; V336-V532 HydrophobicContact CG1-CB 4.02Å; V336-V532 HydrophobicContact CG1-CG1 3.38Å; V336-V532 HydrophobicContact CG2-CG1 3.65Å; I340-V532 HydrophobicContact CG2-CB 4.49Å; I340-V532 HydrophobicContact CG2-CG2 4.35Å; W514-V532 PolarHBondContact N-O 3.44Å; W514-V532 PolarHBondContact O-N 3.22Å
533L92.5Very high73Confident33 Ų3367 Ų6717%0.17340%0.403CS..EExtended strand (participates in β ladder)trans-92129.6-177-64-177.9000110.9Y332 V336 L494 V498 L511 P513Y332-L533 HydrophobicContact CD1-CB 4.22Å; Y332-L533 HydrophobicContact CE1-CB 4.43Å; V336-L533 WeakPolarHBondContact CG2-O 3.36Å; L494-L533 HydrophobicContact CD1-CD1 4Å; L494-L533 HydrophobicContact CD2-CD1 4.46Å; V498-L533 HydrophobicContact CG1-CD2 3.84Å; V498-L533 HydrophobicContact CG2-CD1 3.98Å; V498-L533 HydrophobicContact CG2-CD2 4.43Å; L511-L533 HydrophobicContact CB-CB 4.21Å; L511-L533 HydrophobicContact CD1-CB 4.34Å; L511-L533 HydrophobicContact CD1-CD1 3.92Å; L511-L533 HydrophobicContact CD2-CB 4.49Å; P513-L533 HydrophobicContact CB-CD2 4.15Å; P513-L533 HydrophobicContact CG-CD2 3.98Å
534R93.8Very high76.1Confident4 Ų462.1 Ų62.12%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-116.5130.4-179.7-66.3-178.9-56.7143.719.8111.8Y332 V336 Y337 L511 V512 Y536Y332-R534 CarbonylContact O-C 3.58Å; Y332-R534 VanDerWaalsContact O-CA 3.22Å; Y332-R534 WeakPolarHBondContact O-CA 3.26Å; V336-R534 HydrophobicContact CB-CG 3.99Å; V336-R534 HydrophobicContact CG1-CG 3.25Å; V336-R534 HydrophobicContact CG2-CG 4.38Å; Y337-R534 PolarHBondContact OH-NH1 2.69Å; L511-R534 CarbonylContact C-O 3.58Å; L511-R534 WeakPolarHBondContact CA-O 3.44Å; V512-R534 PolarHBondContact N-O 3.46Å; V512-R534 PolarHBondContact O-N 2.97Å; R534-Y536 HydrophobicContact CB-CD2 4.22Å; R534-Y536 HydrophobicContact CB-CE2 3.83Å; R534-Y536 VanDerWaalsContact CZ-OH 3.29Å; R534-Y536 PolarHBondContact NH1-OH 3.33Å; R534-Y536 PolarHBondContact NH2-OH 2.91Å
535Y95.2Very high78.9Confident0 Ų057.6 Ų57.60%034%0.336CS..EExtended strand (participates in β ladder)trans-71.1135.8175.2170.9-94.1000111.2V328 Y332 V333 H433 S435 F496 D509 H537V328-Y535 HydrophobicContact CG1-CD2 4.05Å; V328-Y535 HydrophobicContact CG1-CG 4Å; Y332-Y535 PolarHBondContact O-N 2.65Å; V333-Y535 HydrophobicContact CG2-CD1 4.4Å; H433-Y535 PolarHBondContact CE1-O 3.18Å; H433-Y535 PolarHBondContact ND1-O 2.97Å; S435-Y535 VanDerWaalsContact CA-CE1 3.49Å; S435-Y535 WeakPolarHBondContact CA-OH 3.22Å; F496-Y535 HydrophobicContact CD1-CE2 4.34Å; F496-Y535 AromaticContact CD2-CD2 3.88Å; F496-Y535 HydrophobicContact CD2-CD2 3.88Å; F496-Y535 HydrophobicContact CD2-CE2 4.28Å; F496-Y535 AromaticContact CE1-CE2 3.99Å; F496-Y535 HydrophobicContact CE1-CE2 3.99Å; F496-Y535 AromaticContact CE2-CD2 3.73Å; F496-Y535 HydrophobicContact CE2-CD2 3.73Å; F496-Y535 AromaticContact CE2-CE2 3.95Å; F496-Y535 HydrophobicContact CE2-CE2 3.95Å; F496-Y535 HydrophobicContact CG-CD2 4.38Å; F496-Y535 HydrophobicContact CG-CE2 4.48Å; F496-Y535 HydrophobicContact CZ-CD2 4.07Å; F496-Y535 AromaticContact CZ-CE2 3.79Å; F496-Y535 HydrophobicContact CZ-CE2 3.79Å; D509-Y535 HydrophobicContact CB-CE2 4.02Å; D509-Y535 PolarHBondContact OD1-OH 3.25Å; Y535-H537 HydrophobicContact CE1-CB 4.44Å
536Y95.9Very high81.8Confident6 Ų658 Ų582%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-137.6139.7171.3-80.3-103.3000109.9Y337 H432 H433 W462 L510 V512 R534Y337-Y536 PolarHBondContact OH-OH 3.45Å; H432-Y536 AromaticContact CE1-CD1 3.58Å; H432-Y536 AromaticContact CE1-CE1 3.16Å; H432-Y536 WeakPolarHBondContact CE1-CE1 3.26Å; H432-Y536 AromaticContact ND1-CD1 3.47Å; H432-Y536 WeakPolarHBondContact ND1-CD1 3.34Å; H432-Y536 AromaticContact ND1-CE1 3.57Å; H432-Y536 AromaticContact NE2-CE1 3.73Å; H432-Y536 CarbonylContact O-C 3.57Å; H432-Y536 WeakPolarHBondContact O-CA 3.45Å; H433-Y536 AromaticContact CE1-CD1 4Å; H433-Y536 AromaticContact CE1-CD2 3.82Å; H433-Y536 AromaticContact CE1-CE1 3.6Å; H433-Y536 AromaticContact CE1-CE2 3.41Å; H433-Y536 VanDerWaalsContact CE1-CE2 3.41Å; H433-Y536 WeakPolarHBondContact CE1-CE2 3.42Å; H433-Y536 AromaticContact CE1-CZ 3.27Å; H433-Y536 AromaticContact NE2-CE1 3.93Å; H433-Y536 AromaticContact NE2-CZ 3.73Å; W462-Y536 AromaticContact CD2-CD1 3.85Å; W462-Y536 HydrophobicContact CD2-CD1 3.85Å; W462-Y536 AromaticContact CD2-CE1 3.71Å; W462-Y536 HydrophobicContact CD2-CE1 3.71Å; W462-Y536 AromaticContact CE2-CE1 3.74Å; W462-Y536 AromaticContact CE3-CD1 3.62Å; W462-Y536 HydrophobicContact CE3-CD1 3.62Å; W462-Y536 AromaticContact CE3-CE1 3.77Å; W462-Y536 HydrophobicContact CE3-CE1 3.77Å; W462-Y536 HydrophobicContact CE3-CG 4.31Å; W462-Y536 HydrophobicContact CG-CD1 4.39Å; W462-Y536 HydrophobicContact CG-CE1 4.39Å; W462-Y536 HydrophobicContact CH2-CD1 4.48Å; W462-Y536 AromaticContact CH2-CE1 3.92Å; W462-Y536 HydrophobicContact CH2-CE1 3.92Å; W462-Y536 AromaticContact CH2-CZ 4Å; W462-Y536 AromaticContact CZ2-CE1 3.85Å; W462-Y536 HydrophobicContact CZ2-CE1 3.85Å; W462-Y536 AromaticContact CZ3-CD1 3.97Å; W462-Y536 HydrophobicContact CZ3-CD1 3.97Å; W462-Y536 AromaticContact CZ3-CE1 3.87Å; W462-Y536 HydrophobicContact CZ3-CE1 3.87Å; W462-Y536 HydrophobicContact CZ3-CG 4.39Å; L510-Y536 PolarHBondContact N-O 3.18Å; L510-Y536 PolarHBondContact O-N 2.99Å; V512-Y536 HydrophobicContact CB-CD2 3.77Å; V512-Y536 HydrophobicContact CB-CE2 3.96Å; V512-Y536 HydrophobicContact CG2-CD2 3.45Å; V512-Y536 VanDerWaalsContact CG2-CD2 3.45Å; V512-Y536 HydrophobicContact CG2-CE2 4.05Å; V512-Y536 HydrophobicContact CG2-CG 3.92Å; R534-Y536 HydrophobicContact CB-CD2 4.22Å; R534-Y536 HydrophobicContact CB-CE2 3.83Å; R534-Y536 VanDerWaalsContact CZ-OH 3.29Å; R534-Y536 PolarHBondContact NH1-OH 3.33Å; R534-Y536 PolarHBondContact NH2-OH 2.91Å
537H95Very high84.6Confident10 Ų1054.6 Ų54.65%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-100.8110.1159.5-173.475.5000109H432 R440 A508 D509 Y535 F539 E543H432-H537 VanDerWaalsContact CB-O 3.23Å; H432-H537 WeakPolarHBondContact CB-O 3.41Å; H432-H537 PolarHBondContact O-N 3.46Å; R440-H537 VanDerWaalsContact CZ-CD2 3.46Å; R440-H537 PolarHBondContact NH2-CD2 3.03Å; R440-H537 PolarHBondContact NH2-CE1 3.15Å; R440-H537 VanDerWaalsContact NH2-CE1 3.33Å; R440-H537 PolarHBondContact NH2-NE2 3.07Å; R440-H537 VanDerWaalsContact NH2-NE2 3.11Å; A508-H537 CarbonylContact O-C 3.5Å; A508-H537 VanDerWaalsContact O-CA 3.26Å; A508-H537 WeakPolarHBondContact O-CA 3.23Å; D509-H537 IonicContact OD1-CE1 2.95Å; D509-H537 IonicContact OD1-CG 3.27Å; D509-H537 IonicContact OD1-ND1 3.3Å; D509-H537 PolarHBondContact OD1-ND1 3.12Å; D509-H537 IonicContact OD2-ND1 2.67Å; Y535-H537 HydrophobicContact CE1-CB 4.44Å; H537-F539 AromaticContact CD2-CD2 3.78Å; H537-F539 AromaticContact CD2-CE2 3.76Å; H537-F539 WeakPolarHBondContact O-CD2 3.42Å; H537-E543 IonicContact CD2-OE1 2.65Å; H537-E543 IonicContact CE1-OE1 2.96Å; H537-E543 IonicContact NE2-OE1 3.37Å; H537-E543 PolarHBondContact NE2-OE1 3.22Å; H537-E543 IonicContact NE2-OE2 3.7Å; H537-E543 PolarHBondContact NE2-OE2 3.28Å
538V93.9Very high87.3Confident2 Ų245.8 Ų45.81%0.01225%0.247CC..PPolyproline II helixtrans-88127.7175-630000109.4W462 A464 F505 A507 A508 L510W462-V538 HydrophobicContact CB-CG1 4.19Å; W462-V538 HydrophobicContact CE3-CG1 4.35Å; A464-V538 HydrophobicContact CB-CB 4.4Å; A464-V538 HydrophobicContact CB-CG2 4.01Å; F505-V538 HydrophobicContact CB-CG2 3.91Å; F505-V538 HydrophobicContact CD1-CG1 4.06Å; F505-V538 HydrophobicContact CD2-CB 4.15Å; F505-V538 HydrophobicContact CD2-CG1 3.81Å; F505-V538 HydrophobicContact CD2-CG2 4.13Å; F505-V538 HydrophobicContact CE1-CG1 4.02Å; F505-V538 HydrophobicContact CE2-CB 4.43Å; F505-V538 HydrophobicContact CE2-CG1 3.74Å; F505-V538 HydrophobicContact CG-CB 4.39Å; F505-V538 HydrophobicContact CG-CG1 3.96Å; F505-V538 HydrophobicContact CG-CG2 3.98Å; F505-V538 HydrophobicContact CZ-CG1 3.86Å; A507-V538 WeakPolarHBondContact O-CG2 3.36Å; A508-V538 WeakPolarHBondContact O-CG2 3.39Å; A508-V538 PolarHBondContact O-N 2.87Å; L510-V538 HydrophobicContact CD2-CB 4.47Å; L510-V538 HydrophobicContact CD2-CG1 3.97Å; L510-V538 HydrophobicContact CD2-CG2 3.75Å
539F94.8Very high89.4Confident0 Ų048.7 Ų48.70%024%0.242CC..BIsolated β-bridgetrans-86.7131.1-171.5-75.7-115.2000110.7I431 H432 V461 W462 A463 A464 H537 E543 L544 L547 W566I431-F539 HydrophobicContact CD1-CZ 4.22Å; I431-F539 HydrophobicContact CG1-CZ 4.26Å; H432-F539 HydrophobicContact CB-CD2 4.38Å; H432-F539 HydrophobicContact CB-CE2 3.83Å; V461-F539 HydrophobicContact CB-CD2 3.53Å; V461-F539 HydrophobicContact CB-CE2 3.55Å; V461-F539 HydrophobicContact CB-CG 4.1Å; V461-F539 HydrophobicContact CB-CZ 4.09Å; V461-F539 HydrophobicContact CG1-CD2 4.15Å; V461-F539 HydrophobicContact CG1-CE1 4.43Å; V461-F539 HydrophobicContact CG1-CE2 3.65Å; V461-F539 HydrophobicContact CG1-CZ 3.77Å; V461-F539 HydrophobicContact CG2-CB 3.82Å; V461-F539 HydrophobicContact CG2-CD1 3.86Å; V461-F539 HydrophobicContact CG2-CD2 3.42Å; V461-F539 VanDerWaalsContact CG2-CD2 3.42Å; V461-F539 HydrophobicContact CG2-CE1 4.17Å; V461-F539 HydrophobicContact CG2-CE2 3.81Å; V461-F539 HydrophobicContact CG2-CG 3.43Å; V461-F539 VanDerWaalsContact CG2-CG 3.43Å; V461-F539 HydrophobicContact CG2-CZ 4.13Å; W462-F539 PolarHBondContact O-N 3.07Å; A463-F539 CarbonylContact C-O 3.51Å; A463-F539 WeakPolarHBondContact CA-O 3.38Å; A464-F539 PolarHBondContact N-O 3.29Å; H537-F539 AromaticContact CD2-CD2 3.78Å; H537-F539 AromaticContact CD2-CE2 3.76Å; H537-F539 WeakPolarHBondContact O-CD2 3.42Å; F539-E543 WeakPolarHBondContact CA-OE2 3.45Å; F539-E543 HydrophobicContact CB-CB 4.47Å; F539-E543 HydrophobicContact CD1-CB 4.18Å; F539-E543 HydrophobicContact CD1-CG 4.02Å; F539-L544 HydrophobicContact CD1-CB 3.98Å; F539-L544 HydrophobicContact CE1-CB 4.34Å; F539-L544 HydrophobicContact CE1-CD1 4.12Å; F539-L547 HydrophobicContact CE1-CD1 3.75Å; F539-L547 HydrophobicContact CZ-CD1 4.48Å; F539-W566 PolarHBondContact O-NE1 3.42Å
540A91.5Very high90.7Very high42 Ų4244.2 Ų44.235%0.34723%0.229SC..PPolyproline II helixtrans-74.5163172.100000111.9G542 E543A540-G542 PolarHBondContact O-N 3.09Å; A540-E543 PolarHBondContact N-OE2 3.01Å; A540-E543 VanDerWaalsContact N-OE2 3.09Å; A540-E543 VanDerWaalsContact O-CB 3.28Å; A540-E543 WeakPolarHBondContact O-CB 3.32Å; A540-E543 PolarHBondContact O-N 2.67Å
541D91.3Very high91.4Very high97 Ų9736.3 Ų36.352%0.51920%0.195SC..THydrogen-bonded Turntrans-50.7130.4171.4-162.2-11.4000111.5E465 E543 W566E465-D541 PolarHBondContact OE1-N 3.07Å; E465-D541 PolarHBondContact OE2-N 2.77Å; D541-E543 PolarHBondContact O-N 3.15Å; D541-W566 VanDerWaalsContact CA-CZ2 3.42Å; D541-W566 HydrophobicContact CB-CH2 3.93Å; D541-W566 HydrophobicContact CB-CZ2 3.51Å; D541-W566 VanDerWaalsContact CG-CZ2 3.41Å; D541-W566 WeakPolarHBondContact OD1-CH2 3.45Å; D541-W566 WeakPolarHBondContact OD1-CZ2 3.45Å
542G89.9Confident91.5Very high21 Ų2140.4 Ų40.422%0.21622%0.219CC..THydrogen-bonded Turntrans76.4-11.7-177.100000116.1A540 E545 M546A540-G542 PolarHBondContact O-N 3.09Å; G542-E545 PolarHBondContact O-N 3.39Å; G542-M546 WeakPolarHBondContact O-CG 3.3Å; G542-M546 PolarHBondContact O-N 3.11Å
543E93.5Very high91.5Very high37 Ų3742 Ų4217%0.17323%0.232CC..Hα-helixtrans-64.8-50.1-176.1-172.1-171158.200112.5R440 H537 F539 A540 D541 E545 M546 L547R440-E543 IonicContact NH2-OE1 3.76Å; H537-E543 IonicContact CD2-OE1 2.65Å; H537-E543 IonicContact CE1-OE1 2.96Å; H537-E543 IonicContact NE2-OE1 3.37Å; H537-E543 PolarHBondContact NE2-OE1 3.22Å; H537-E543 IonicContact NE2-OE2 3.7Å; H537-E543 PolarHBondContact NE2-OE2 3.28Å; F539-E543 WeakPolarHBondContact CA-OE2 3.45Å; F539-E543 HydrophobicContact CB-CB 4.47Å; F539-E543 HydrophobicContact CD1-CB 4.18Å; F539-E543 HydrophobicContact CD1-CG 4.02Å; A540-E543 PolarHBondContact N-OE2 3.01Å; A540-E543 VanDerWaalsContact N-OE2 3.09Å; A540-E543 VanDerWaalsContact O-CB 3.28Å; A540-E543 WeakPolarHBondContact O-CB 3.32Å; A540-E543 PolarHBondContact O-N 2.67Å; D541-E543 PolarHBondContact O-N 3.15Å; E543-E545 PolarHBondContact O-N 2.99Å; E543-M546 PolarHBondContact O-N 3.48Å; E543-L547 PolarHBondContact O-N 2.89Å
544L94Very high91.6Very high3 Ų341.1 Ų41.12%0.01623%0.228CC..Hα-helixtrans-59.4-41.1177.5178.165.4000110.7I431 I459 V461 F539 L547 C548 W566 A568I431-L544 HydrophobicContact CD1-CD1 4.25Å; I459-L544 HydrophobicContact CG2-CD1 4.02Å; I459-L544 HydrophobicContact CG2-CD2 4.45Å; V461-L544 HydrophobicContact CG1-CD1 4.44Å; V461-L544 HydrophobicContact CG2-CB 4.34Å; V461-L544 HydrophobicContact CG2-CD1 4.36Å; V461-L544 HydrophobicContact CG2-CD2 3.98Å; V461-L544 HydrophobicContact CG2-CG 4.45Å; F539-L544 HydrophobicContact CD1-CB 3.98Å; F539-L544 HydrophobicContact CE1-CB 4.34Å; F539-L544 HydrophobicContact CE1-CD1 4.12Å; L544-L547 PolarHBondContact O-N 3.31Å; L544-C548 WeakPolarHBondContact O-CB 3.37Å; L544-C548 PolarHBondContact O-N 3.5Å; L544-C548 PolarHBondContact O-SG 2.79Å; L544-W566 HydrophobicContact CB-CB 4.36Å; L544-W566 HydrophobicContact CD2-CB 4.12Å; L544-A568 HydrophobicContact CD2-CB 3.73Å; L544-A568 HydrophobicContact CG-CB 4.1Å
545E92.1Very high91.7Very high46 Ų4644.6 Ų44.622%0.21525%0.25CC..Hα-helixtrans-62.8-42178.6173.2165.7157.100112.1G542 E543 C548 R549 L556 S559G542-E545 PolarHBondContact O-N 3.39Å; E543-E545 PolarHBondContact O-N 2.99Å; E545-C548 PolarHBondContact O-N 2.98Å; E545-R549 WeakPolarHBondContact O-CB 3.37Å; E545-R549 WeakPolarHBondContact O-CG 3.48Å; E545-R549 PolarHBondContact O-N 3.1Å; E545-R549 IonicContact OE1-CZ 2.7Å; E545-R549 IonicContact OE1-NH1 3.54Å; E545-R549 PolarHBondContact OE1-NH1 3.08Å; E545-R549 IonicContact OE1-NH2 3.87Å; E545-R549 PolarHBondContact OE1-NH2 3.05Å; E545-L556 HydrophobicContact CB-CD2 4.38Å; E545-L556 HydrophobicContact CG-CD2 3.68Å; E545-S559 VanDerWaalsContact OE2-CB 3.23Å; E545-S559 WeakPolarHBondContact OE2-CB 3.35Å; E545-S559 PolarHBondContact OE2-OG 3.25Å
546M89.5Confident91.8Very high123 Ų12346.4 Ų46.461%0.60626%0.259SS*.Hα-helixtrans-63.9-44.4174.2-72.9-173.3-65.500112.1G542 E543 C548 R549 S550G542-M546 WeakPolarHBondContact O-CG 3.3Å; G542-M546 PolarHBondContact O-N 3.11Å; E543-M546 PolarHBondContact O-N 3.48Å; M546-C548 PolarHBondContact O-N 3.23Å; M546-R549 PolarHBondContact O-N 2.81Å; M546-S550 PolarHBondContact O-N 2.8Å; M546-S550 VanDerWaalsContact O-N 3.11Å
547L89.7Confident91.8Very high21 Ų2149.9 Ų49.911%0.1128%0.278CS..Hα-helixtrans-60.6-46.7175.5-71.8-178.1000111.4R440 I441 L444 F539 E543 L544 R549 S550R440-L547 HydrophobicContact CB-CD1 4.39Å; I441-L547 HydrophobicContact CD1-CD2 4.09Å; I441-L547 HydrophobicContact CG1-CD2 3.91Å; L444-L547 HydrophobicContact CD1-CB 4.08Å; F539-L547 HydrophobicContact CE1-CD1 3.75Å; F539-L547 HydrophobicContact CZ-CD1 4.48Å; E543-L547 PolarHBondContact O-N 2.89Å; L544-L547 PolarHBondContact O-N 3.31Å; L547-R549 VanDerWaalsContact C-N 3.33Å; L547-R549 PolarHBondContact O-N 2.84Å; L547-S550 WeakPolarHBondContact O-CB 3.4Å; L547-S550 PolarHBondContact O-N 2.93Å; L547-S550 VanDerWaalsContact O-N 3.15Å; L547-S550 PolarHBondContact O-OG 3.29Å
548C91.5Very high91.9Very high1 Ų154 Ų541%0.00730%0.296CS..Hα-helixtrans-60.5-39.8177.3-740000112.8L544 E545 M546 S550 L551 L556 L570L544-C548 WeakPolarHBondContact O-CB 3.37Å; L544-C548 PolarHBondContact O-N 3.5Å; L544-C548 PolarHBondContact O-SG 2.79Å; E545-C548 PolarHBondContact O-N 2.98Å; M546-C548 PolarHBondContact O-N 3.23Å; C548-S550 VanDerWaalsContact C-N 3.27Å; C548-S550 PolarHBondContact O-N 3.16Å; C548-L551 WeakPolarHBondContact O-CG 3.26Å; C548-L551 PolarHBondContact O-N 3.34Å; C548-L556 HydrophobicContact CB-CD1 4.23Å; C548-L570 HydrophobicContact CB-CD1 4.45Å; C548-L570 HydrophobicContact CB-CD2 3.65Å
549R90.2Very high92Very high164 Ų16456 Ų5662%0.61931%0.309SS*.Hα-helixtrans-70.9-18.7176.9-77.5-177.7174.6138.79.2114.1E545 M546 L547 L551 L556E545-R549 WeakPolarHBondContact O-CB 3.37Å; E545-R549 WeakPolarHBondContact O-CG 3.48Å; E545-R549 PolarHBondContact O-N 3.1Å; E545-R549 IonicContact OE1-CZ 2.7Å; E545-R549 IonicContact OE1-NH1 3.54Å; E545-R549 PolarHBondContact OE1-NH1 3.08Å; E545-R549 IonicContact OE1-NH2 3.87Å; E545-R549 PolarHBondContact OE1-NH2 3.05Å; M546-R549 PolarHBondContact O-N 2.81Å; L547-R549 VanDerWaalsContact C-N 3.33Å; L547-R549 PolarHBondContact O-N 2.84Å; R549-L551 VanDerWaalsContact C-N 3.25Å; R549-L551 PolarHBondContact O-N 3.47Å; R549-L556 HydrophobicContact CG-CD2 4.24Å
550S86.8Confident92.1Very high67 Ų6757.9 Ų57.947%0.46932%0.317SS..THydrogen-bonded Turntrans-76.3-12.2176.9760000113.7M546 L547 C548M546-S550 PolarHBondContact O-N 2.8Å; M546-S550 VanDerWaalsContact O-N 3.11Å; L547-S550 WeakPolarHBondContact O-CB 3.4Å; L547-S550 PolarHBondContact O-N 2.93Å; L547-S550 VanDerWaalsContact O-N 3.15Å; L547-S550 PolarHBondContact O-OG 3.29Å; C548-S550 VanDerWaalsContact C-N 3.27Å; C548-S550 PolarHBondContact O-N 3.16Å
551L87.4Confident92.3Very high13 Ų1358.1 Ų58.17%0.06831%0.309CS..  trans-79.6136.6-179.7-52.4173.1000110.3I441 L444 N445 I448 C548 R549 C554 L570I441-L551 HydrophobicContact CG2-CD2 4.32Å; L444-L551 HydrophobicContact CB-CD1 3.93Å; L444-L551 HydrophobicContact CB-CD2 4.06Å; L444-L551 HydrophobicContact CD1-CD1 4.43Å; N445-L551 WeakPolarHBondContact OD1-CD2 3.38Å; I448-L551 HydrophobicContact CG1-CD1 4.25Å; C548-L551 WeakPolarHBondContact O-CG 3.26Å; C548-L551 PolarHBondContact O-N 3.34Å; R549-L551 VanDerWaalsContact C-N 3.25Å; R549-L551 PolarHBondContact O-N 3.47Å; L551-C554 VanDerWaalsContact CB-SG 3.58Å; L551-L570 HydrophobicContact CD1-CD1 3.82Å
552T84.6Confident92.4Very high129 Ų12955 Ų5579%0.79129%0.291SS*.SBendtrans-88.5-21-172.953.20000114.8
553S88.7Confident92.4Very high64 Ų6457.6 Ų57.645%0.44830%0.298SS..SBendtrans-111.320.8-169.4-51.30000113.6C573S553-C573 PolarHBondContact O-N 3.42Å
554C93.8Very high92.3Very high14 Ų1455.9 Ų55.910%0.09529%0.29CS..EExtended strand (participates in β ladder)trans-150.5160.8177.9680000112.8I448 L551 L570 E571 C573I448-C554 HydrophobicContact CD1-CB 3.68Å; I448-C554 HydrophobicContact CG1-CB 4.03Å; I448-C554 HydrophobicContact CG2-CB 4.04Å; L551-C554 VanDerWaalsContact CB-SG 3.58Å; C554-L570 HydrophobicContact CB-CB 4.47Å; C554-E571 CarbonylContact C-O 3.38Å; C554-E571 WeakPolarHBondContact CA-O 3.38Å; C554-E571 WeakPolarHBondContact CB-O 3.47Å; C554-C573 VanDerWaalsContact C-SG 3.57Å; C554-C573 VanDerWaalsContact CA-SG 3.56Å
555T96.6Very high92.5Very high76 Ų7656.1 Ų56.147%0.46629%0.291SS..EExtended strand (participates in β ladder)trans-109.6135.9171.3-59.50000110.3L557 L570 E571T555-L557 HydrophobicContact CG2-CD2 4.46Å; T555-L557 PolarHBondContact O-N 3.16Å; T555-L570 CarbonylContact O-C 3.47Å; T555-L570 WeakPolarHBondContact O-CA 3.43Å; T555-E571 PolarHBondContact N-O 2.7Å; T555-E571 PolarHBondContact O-N 3.29Å
556L96.9Very high92.7Very high38 Ų3854.4 Ų54.420%0.19928%0.283CS..EExtended strand (participates in β ladder)trans-77.4107.6170.2175.967.4000110E545 C548 R549 A568 L570E545-L556 HydrophobicContact CB-CD2 4.38Å; E545-L556 HydrophobicContact CG-CD2 3.68Å; C548-L556 HydrophobicContact CB-CD1 4.23Å; R549-L556 HydrophobicContact CG-CD2 4.24Å; L556-A568 HydrophobicContact CD1-CB 3.92Å; L556-L570 HydrophobicContact CB-CD2 4.06Å; L556-L570 HydrophobicContact CD1-CD2 3.58Å; L556-L570 HydrophobicContact CG-CD2 4.43Å
557L96.9Very high93.1Very high80 Ų8048.6 Ų48.642%0.41925%0.254SS..EExtended strand (participates in β ladder)trans-80.2-40.8-179.9-64.2-172.5000112.9Q456 T555 I569 E571Q456-L557 HydrophobicContact CG-CD1 4.39Å; Q456-L557 VanDerWaalsContact NE2-CD1 3.29Å; T555-L557 HydrophobicContact CG2-CD2 4.46Å; T555-L557 PolarHBondContact O-N 3.16Å; L557-I569 HydrophobicContact CB-CB 4.44Å; L557-I569 HydrophobicContact CB-CG2 4.24Å; L557-I569 HydrophobicContact CD1-CG2 4.17Å; L557-I569 PolarHBondContact N-O 3.05Å; L557-E571 HydrophobicContact CD1-CB 3.69Å; L557-E571 HydrophobicContact CD1-CG 4.44Å; L557-E571 HydrophobicContact CD2-CB 4.1Å; L557-E571 HydrophobicContact CG-CB 3.78Å
558K96.6Very high93.5Very high97 Ų9747.6 Ų47.642%0.42225%0.249SC..EExtended strand (participates in β ladder)trans-152136.7-175.3-164.9-178.9177.7-179.50110.8Y560 A568 I569K558-Y560 HydrophobicContact CD-CD1 3.9Å; K558-Y560 HydrophobicContact CD-CE1 4.23Å; K558-Y560 HydrophobicContact CG-CD1 3.93Å; K558-A568 CarbonylContact O-C 3.6Å; K558-A568 VanDerWaalsContact O-CA 3.31Å; K558-A568 WeakPolarHBondContact O-CA 3.12Å; K558-I569 HydrophobicContact CB-CB 4.22Å; K558-I569 HydrophobicContact CB-CD1 4.24Å; K558-I569 HydrophobicContact CB-CG1 4.41Å; K558-I569 HydrophobicContact CD-CD1 4.3Å; K558-I569 PolarHBondContact N-O 2.82Å; K558-I569 PolarHBondContact O-N 3.35Å
559S96Very high93.8Very high42 Ų4248.7 Ų48.729%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-125.2130170.4175.70000107.8E545 C567E545-S559 VanDerWaalsContact OE2-CB 3.23Å; E545-S559 WeakPolarHBondContact OE2-CB 3.35Å; E545-S559 PolarHBondContact OE2-OG 3.25Å; S559-C567 CarbonylContact C-O 3.31Å; S559-C567 WeakPolarHBondContact CA-O 3.36Å
560Y96.6Very high94.2Very high41 Ų4140.9 Ų40.916%0.16123%0.225CC..EExtended strand (participates in β ladder)trans-157.1170-177.766.4-82.3000112.5Y460 K558 E562 C567 I569Y460-Y560 WeakPolarHBondContact CE2-OH 3.36Å; Y460-Y560 PolarHBondContact OH-OH 3.42Å; K558-Y560 HydrophobicContact CD-CD1 3.9Å; K558-Y560 HydrophobicContact CD-CE1 4.23Å; K558-Y560 HydrophobicContact CG-CD1 3.93Å; Y560-E562 HydrophobicContact CD2-CB 4.48Å; Y560-E562 HydrophobicContact CE2-CB 4.22Å; Y560-C567 HydrophobicContact CD1-CB 3.9Å; Y560-C567 HydrophobicContact CD2-CB 3.88Å; Y560-C567 HydrophobicContact CE1-CB 3.59Å; Y560-C567 HydrophobicContact CE2-CB 3.54Å; Y560-C567 HydrophobicContact CG-CB 4.05Å; Y560-C567 PolarHBondContact N-O 3.14Å; Y560-C567 WeakPolarHBondContact O-CB 3.5Å; Y560-C567 PolarHBondContact O-N 3.18Å; Y560-I569 HydrophobicContact CE1-CD1 4.47Å; Y560-I569 HydrophobicContact CE1-CG1 4.5Å
561Y95.4Very high94.7Very high47 Ų4740.6 Ų40.618%0.18422%0.217CC..EExtended strand (participates in β ladder)trans-115137.9177.7172.7-86.8000111.6A463 E465 R468 G564 N565 W566A463-Y561 HydrophobicContact CB-CD2 4.17Å; A463-Y561 HydrophobicContact CB-CE2 3.77Å; E465-Y561 VanDerWaalsContact O-CE2 3.29Å; E465-Y561 WeakPolarHBondContact O-CE2 3.41Å; E465-Y561 PolarHBondContact O-OH 3.17Å; E465-Y561 VanDerWaalsContact O-OH 3.11Å; R468-Y561 HydrophobicContact CB-CD1 4.31Å; R468-Y561 HydrophobicContact CB-CE1 3.75Å; R468-Y561 HydrophobicContact CG-CE1 4.44Å; Y561-G564 VanDerWaalsContact CZ-N 3.31Å; Y561-G564 VanDerWaalsContact OH-CA 3.27Å; Y561-G564 WeakPolarHBondContact OH-CA 3.42Å; Y561-G564 PolarHBondContact OH-N 2.88Å; Y561-G564 VanDerWaalsContact OH-N 3.13Å; Y561-N565 CarbonylContact C-O 3.56Å; Y561-N565 VanDerWaalsContact CA-O 3.31Å; Y561-N565 WeakPolarHBondContact CA-O 3.42Å; Y561-N565 WeakPolarHBondContact CD2-O 3.5Å; Y561-W566 HydrophobicContact CD2-CD2 4.29Å; Y561-W566 HydrophobicContact CD2-CE3 4.4Å; Y561-W566 HydrophobicContact CD2-CZ2 4.33Å
562E93.6Very high95.2Very high31 Ų3141 Ų4115%0.14522%0.218CC..EExtended strand (participates in β ladder)trans-141.9113.7176.4-175.2175.168.100111.4G354 Y460 Y560 G564 N565G354-E562 PolarHBondContact N-OE1 3.29Å; G354-E562 PolarHBondContact N-OE2 3.47Å; Y460-E562 HydrophobicContact CE1-CB 4.19Å; Y460-E562 VanDerWaalsContact CE1-OE1 3.24Å; Y460-E562 WeakPolarHBondContact CE1-OE1 3.24Å; Y460-E562 PolarHBondContact OH-OE1 3.41Å; Y560-E562 HydrophobicContact CD2-CB 4.48Å; Y560-E562 HydrophobicContact CE2-CB 4.22Å; E562-G564 VanDerWaalsContact C-N 3.33Å; E562-G564 PolarHBondContact O-N 3.1Å; E562-N565 PolarHBondContact N-O 2.88Å; E562-N565 WeakPolarHBondContact O-CB 3.43Å; E562-N565 PolarHBondContact O-N 3.14Å; E562-N565 PolarHBondContact O-ND2 3.06Å
563Q89.9Confident95.6Very high76 Ų7640.4 Ų40.436%0.35522%0.218SC..THydrogen-bonded Turntrans51.244.6167.8-64.9-68.1-39.700114.5N565Q563-N565 PolarHBondContact O-ND2 3.02Å
564G92.9Very high95.9Very high1 Ų139.3 Ų39.31%0.0121%0.206CC..THydrogen-bonded Turntrans87.719.1-18000000114.3A463 Q466 Y561 E562A463-G564 WeakPolarHBondContact CB-O 3.34Å; A463-G564 PolarHBondContact N-O 3Å; Q466-G564 PolarHBondContact NE2-O 3.27Å; Y561-G564 VanDerWaalsContact CZ-N 3.31Å; Y561-G564 VanDerWaalsContact OH-CA 3.27Å; Y561-G564 WeakPolarHBondContact OH-CA 3.42Å; Y561-G564 PolarHBondContact OH-N 2.88Å; Y561-G564 VanDerWaalsContact OH-N 3.13Å; E562-G564 VanDerWaalsContact C-N 3.33Å; E562-G564 PolarHBondContact O-N 3.1Å
565N96.2Very high96Very high7 Ų740.6 Ų40.64%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-132.4139.8-179.8-51.5-87.5000110.8W352 Y460 V461 W462 Y561 E562 Q563W352-N565 VanDerWaalsContact CH2-OD1 3.26Å; W352-N565 WeakPolarHBondContact CH2-OD1 3.38Å; Y460-N565 HydrophobicContact CD1-CB 3.93Å; V461-N565 CarbonylContact O-C 3.47Å; V461-N565 WeakPolarHBondContact O-CA 3.16Å; V461-N565 VanDerWaalsContact O-CB 3.24Å; V461-N565 WeakPolarHBondContact O-CB 3.47Å; W462-N565 VanDerWaalsContact CD1-OD1 3.29Å; Y561-N565 CarbonylContact C-O 3.56Å; Y561-N565 VanDerWaalsContact CA-O 3.31Å; Y561-N565 WeakPolarHBondContact CA-O 3.42Å; Y561-N565 WeakPolarHBondContact CD2-O 3.5Å; E562-N565 PolarHBondContact N-O 2.88Å; E562-N565 WeakPolarHBondContact O-CB 3.43Å; E562-N565 PolarHBondContact O-N 3.14Å; E562-N565 PolarHBondContact O-ND2 3.06Å; Q563-N565 PolarHBondContact O-ND2 3.02Å
566W97Very high96Very high11 Ų1138.6 Ų38.64%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-86.3136.7164.5-70.1117.4000109.7Y460 V461 A463 E465 F539 D541 L544 Y561Y460-W566 WeakPolarHBondContact CA-O 3.36Å; V461-W566 HydrophobicContact CG2-CB 3.9Å; V461-W566 PolarHBondContact N-O 3.41Å; V461-W566 PolarHBondContact O-N 3.47Å; A463-W566 VanDerWaalsContact CB-CD1 3.43Å; A463-W566 HydrophobicContact CB-CG 4.13Å; E465-W566 PolarHBondContact OE2-NE1 3.13Å; F539-W566 PolarHBondContact O-NE1 3.42Å; D541-W566 VanDerWaalsContact CA-CZ2 3.42Å; D541-W566 HydrophobicContact CB-CH2 3.93Å; D541-W566 HydrophobicContact CB-CZ2 3.51Å; D541-W566 VanDerWaalsContact CG-CZ2 3.41Å; D541-W566 WeakPolarHBondContact OD1-CH2 3.45Å; D541-W566 WeakPolarHBondContact OD1-CZ2 3.45Å; L544-W566 HydrophobicContact CB-CB 4.36Å; L544-W566 HydrophobicContact CD2-CB 4.12Å; Y561-W566 HydrophobicContact CD2-CD2 4.29Å; Y561-W566 HydrophobicContact CD2-CE3 4.4Å; Y561-W566 HydrophobicContact CD2-CZ2 4.33Å
567C98Very high95.9Very high0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-131.8136.6-170.6-42.60000109.5I459 Y460 S559 Y560I459-C567 CarbonylContact O-C 3.59Å; I459-C567 VanDerWaalsContact O-CA 3.24Å; I459-C567 WeakPolarHBondContact O-CA 3.19Å; Y460-C567 HydrophobicContact CD1-CB 4.42Å; Y460-C567 WeakPolarHBondContact CD1-SG 3.31Å; Y460-C567 HydrophobicContact CD2-CB 4.02Å; Y460-C567 HydrophobicContact CE1-CB 4.32Å; Y460-C567 WeakPolarHBondContact CE1-SG 3.42Å; Y460-C567 HydrophobicContact CE2-CB 3.83Å; Y460-C567 HydrophobicContact CG-CB 4.32Å; S559-C567 CarbonylContact C-O 3.31Å; S559-C567 WeakPolarHBondContact CA-O 3.36Å; Y560-C567 HydrophobicContact CD1-CB 3.9Å; Y560-C567 HydrophobicContact CD2-CB 3.88Å; Y560-C567 HydrophobicContact CE1-CB 3.59Å; Y560-C567 HydrophobicContact CE2-CB 3.54Å; Y560-C567 HydrophobicContact CG-CB 4.05Å; Y560-C567 PolarHBondContact N-O 3.14Å; Y560-C567 WeakPolarHBondContact O-CB 3.5Å; Y560-C567 PolarHBondContact O-N 3.18Å
568A98Very high95.9Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-133.8141.8176.600000111.1I459 L544 L556 K558I459-A568 PolarHBondContact N-O 2.86Å; I459-A568 PolarHBondContact O-N 3.42Å; L544-A568 HydrophobicContact CD2-CB 3.73Å; L544-A568 HydrophobicContact CG-CB 4.1Å; L556-A568 HydrophobicContact CD1-CB 3.92Å; K558-A568 CarbonylContact O-C 3.6Å; K558-A568 VanDerWaalsContact O-CA 3.31Å; K558-A568 WeakPolarHBondContact O-CA 3.12Å
569I98.3Very high95.8Very high24 Ų2432 Ų3212%0.12317%0.168CC..EExtended strand (participates in β ladder)trans-112.3118.9168.7-59.2175.2000107.8F358 A457 L458 L557 K558 Y560F358-I569 HydrophobicContact CD2-CD1 4.16Å; F358-I569 HydrophobicContact CD2-CG1 4.47Å; F358-I569 HydrophobicContact CE2-CG2 4.2Å; A457-I569 CarbonylContact O-C 3.49Å; A457-I569 VanDerWaalsContact O-CA 3.31Å; A457-I569 WeakPolarHBondContact O-CA 3.49Å; L458-I569 HydrophobicContact CD1-CD1 4.18Å; L458-I569 HydrophobicContact CD1-CG1 3.51Å; L557-I569 HydrophobicContact CB-CB 4.44Å; L557-I569 HydrophobicContact CB-CG2 4.24Å; L557-I569 HydrophobicContact CD1-CG2 4.17Å; L557-I569 PolarHBondContact N-O 3.05Å; K558-I569 HydrophobicContact CB-CB 4.22Å; K558-I569 HydrophobicContact CB-CD1 4.24Å; K558-I569 HydrophobicContact CB-CG1 4.41Å; K558-I569 HydrophobicContact CD-CD1 4.3Å; K558-I569 PolarHBondContact N-O 2.82Å; K558-I569 PolarHBondContact O-N 3.35Å; Y560-I569 HydrophobicContact CE1-CD1 4.47Å; Y560-I569 HydrophobicContact CE1-CG1 4.5Å
570L98Very high95.8Very high1 Ų131.3 Ų31.31%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-107149.7174.8-51.4179.7000109.8I448 Q456 A457 I459 C548 L551 C554 T555 L556I448-L570 HydrophobicContact CD1-CB 3.91Å; I448-L570 HydrophobicContact CD1-CD1 3.87Å; I448-L570 HydrophobicContact CG1-CD1 4.49Å; Q456-L570 CarbonylContact C-O 3.37Å; Q456-L570 WeakPolarHBondContact CA-O 3.47Å; A457-L570 HydrophobicContact CB-CB 4.42Å; A457-L570 PolarHBondContact N-O 3.16Å; A457-L570 PolarHBondContact O-N 2.82Å; I459-L570 HydrophobicContact CD1-CD1 3.55Å; I459-L570 HydrophobicContact CD1-CG 3.99Å; C548-L570 HydrophobicContact CB-CD1 4.45Å; C548-L570 HydrophobicContact CB-CD2 3.65Å; L551-L570 HydrophobicContact CD1-CD1 3.82Å; C554-L570 HydrophobicContact CB-CB 4.47Å; T555-L570 CarbonylContact O-C 3.47Å; T555-L570 WeakPolarHBondContact O-CA 3.43Å; L556-L570 HydrophobicContact CB-CD2 4.06Å; L556-L570 HydrophobicContact CD1-CD2 3.58Å; L556-L570 HydrophobicContact CG-CD2 4.43Å
571E98.2Very high95.8Very high61 Ų6130.5 Ų30.529%0.28516%0.159SC..EExtended strand (participates in β ladder)trans-125.9130.4171.6-177169.68400109.4G455 Q456 C554 T555 L557G455-E571 WeakPolarHBondContact O-CA 2.89Å; Q456-E571 HydrophobicContact CG-CB 4.23Å; Q456-E571 HydrophobicContact CG-CG 4.22Å; Q456-E571 PolarHBondContact NE2-OE2 3.26Å; C554-E571 CarbonylContact C-O 3.38Å; C554-E571 WeakPolarHBondContact CA-O 3.38Å; C554-E571 WeakPolarHBondContact CB-O 3.47Å; T555-E571 PolarHBondContact N-O 2.7Å; T555-E571 PolarHBondContact O-N 3.29Å; L557-E571 HydrophobicContact CD1-CB 3.69Å; L557-E571 HydrophobicContact CD1-CG 4.44Å; L557-E571 HydrophobicContact CD2-CB 4.1Å; L557-E571 HydrophobicContact CG-CB 3.78Å
572K97.6Very high95.8Very high22 Ų2229.2 Ų29.210%0.09616%0.157CC..EExtended strand (participates in β ladder)trans-68.7132.3176.1-172.8176.1-175.1167.70109.7E420 I448 R449 L451 G454 G455E420-K572 IonicContact OE1-NZ 2.98Å; I448-K572 HydrophobicContact CG2-CB 4.49Å; I448-K572 HydrophobicContact CG2-CD 4.48Å; I448-K572 HydrophobicContact CG2-CG 4.15Å; I448-K572 WeakPolarHBondContact O-CD 3.48Å; I448-K572 PolarHBondContact O-NZ 3.1Å; R449-K572 PolarHBondContact O-NZ 2.94Å; R449-K572 VanDerWaalsContact O-NZ 3.12Å; L451-K572 HydrophobicContact CB-CB 4.13Å; L451-K572 HydrophobicContact CB-CD 4.14Å; L451-K572 WeakPolarHBondContact O-CD 3.36Å; L451-K572 WeakPolarHBondContact O-CE 3.33Å; L451-K572 PolarHBondContact O-NZ 2.96Å; G454-K572 PolarHBondContact N-O 3.01Å; G455-K572 PolarHBondContact O-N 3.29Å
573C91.9Very high96Very high116 Ų11629 Ų2978%0.78416%0.158SC*.  trans-63.40-179.3-64.40000113S553 C554S553-C573 PolarHBondContact O-N 3.42Å; C554-C573 VanDerWaalsContact C-SG 3.57Å; C554-C573 VanDerWaalsContact CA-SG 3.56Å

Retrieved 573 of 573 residues in 454.6 ms (Link to these results)

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