A0A3Q0KVA8_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB (A0A5K4EZW8), UniProt , Accession A0A3Q0KVA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 822 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
1M89.3Confident90Very high38 Ų3865.5 Ų65.519%0.18732%0.324CS..  0-4.30-89.6-78.8-71.900113.7R3 Y4 L6 I32 E71 Y76M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.32Å; M1-Y4 WeakPolarHBondContact O-CD2 3.22Å; M1-Y4 PolarHBondContact O-N 3.03Å; M1-Y4 HydrophobicContact SD-CD2 3.97Å; M1-L6 HydrophobicContact CE-CD2 3.99Å; M1-I32 HydrophobicContact CE-CD1 3.78Å; M1-I32 HydrophobicContact CE-CG2 4.17Å; M1-I32 HydrophobicContact SD-CD1 4.32Å; M1-I32 HydrophobicContact SD-CG2 4.31Å; M1-E71 WeakPolarHBondContact CA-OE2 3.26Å; M1-E71 WeakPolarHBondContact CB-OE2 3.24Å; M1-E71 WeakPolarHBondContact CG-OE2 3.15Å; M1-E71 PolarHBondContact N-OE1 3.48Å; M1-E71 PolarHBondContact N-OE2 2.66Å; M1-Y76 HydrophobicContact CE-CD1 4.24Å; M1-Y76 HydrophobicContact CE-CE1 4.28Å; M1-Y76 HydrophobicContact CG-CD1 4.32Å; M1-Y76 HydrophobicContact CG-CE1 4.16Å; M1-Y76 HydrophobicContact CG-CE2 4.4Å; M1-Y76 HydrophobicContact CG-CG 4.5Å; M1-Y76 HydrophobicContact SD-CD1 3.86Å; M1-Y76 HydrophobicContact SD-CE1 4.19Å; M1-Y76 HydrophobicContact SD-CG 4.13Å
2N90.7Very high88.9Confident135 Ų13566.7 Ų66.772%0.72233%0.332SS*.THydrogen-bonded Turntrans-59.7-21.7-158.8-54.36.1000116.6Y4 Q24N2-Y4 PolarHBondContact O-N 3.39Å; N2-Q24 PolarHBondContact O-NE2 3.36Å; N2-Q24 PolarHBondContact O-OE1 3.4Å; N2-Q24 VanDerWaalsContact O-OE1 3.14Å
3R93.4Very high87.3Confident94 Ų9463.8 Ų63.836%0.35533%0.33SS..THydrogen-bonded Turntrans-74.1-3.7176.7-64.6-175.2-60.9112.87.6114.5M1 Q24 E25 E67M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.32Å; R3-Q24 PolarHBondContact O-N 3.12Å; R3-E25 VanDerWaalsContact CD-OE1 3.29Å; R3-E25 WeakPolarHBondContact CD-OE1 3.35Å; R3-E67 IonicContact CZ-OE1 2.72Å; R3-E67 IonicContact CZ-OE2 3.98Å; R3-E67 IonicContact NH1-OE2 2.7Å; R3-E67 IonicContact NH2-OE1 2.88Å; R3-E67 PolarHBondContact NH2-OE1 3.01Å; R3-E67 IonicContact NH2-OE2 2.71Å; R3-E67 PolarHBondContact NH2-OE2 2.81Å
4Y95.3Very high85.7Confident20 Ų2064.9 Ų64.98%0.07834%0.341CS..EExtended strand (participates in β ladder)trans-119.3128.9-178.1-52.1-75.3000112.2M1 N2 T22 V23 V30 I32 E67 I78M1-Y4 WeakPolarHBondContact O-CD2 3.22Å; M1-Y4 PolarHBondContact O-N 3.03Å; M1-Y4 HydrophobicContact SD-CD2 3.97Å; N2-Y4 PolarHBondContact O-N 3.39Å; Y4-T22 CarbonylContact C-O 3.45Å; Y4-T22 WeakPolarHBondContact CA-O 3.49Å; Y4-V23 HydrophobicContact CD1-CG2 4.18Å; Y4-V23 HydrophobicContact CE1-CG2 4.02Å; Y4-V30 HydrophobicContact CD1-CG2 3.79Å; Y4-V30 HydrophobicContact CE1-CG2 4.01Å; Y4-I32 HydrophobicContact CD1-CD1 4.05Å; Y4-I32 HydrophobicContact CD2-CD1 3.99Å; Y4-I32 HydrophobicContact CG-CD1 3.68Å; Y4-E67 PolarHBondContact OH-OE2 3.01Å; Y4-I78 HydrophobicContact CE1-CG2 4.15Å; Y4-I78 HydrophobicContact CE2-CG1 4.15Å
5T95.9Very high84.8Confident68 Ų6867.2 Ų67.242%0.41734%0.344SS..EExtended strand (participates in β ladder)trans-95.7116.7170.4-61.60000109.3A21 T22 Q24T5-A21 CarbonylContact O-C 3.49Å; T5-A21 WeakPolarHBondContact O-CA 3.38Å; T5-A21 VanDerWaalsContact O-CB 3.31Å; T5-A21 WeakPolarHBondContact O-CB 3.27Å; T5-T22 PolarHBondContact N-O 2.76Å; T5-T22 PolarHBondContact O-N 2.7Å; T5-Q24 WeakPolarHBondContact OG1-CG 3.44Å; T5-Q24 PolarHBondContact OG1-NE2 3.28Å
6L94.5Very high84.3Confident94 Ų9463.3 Ų63.349%0.49233%0.325SS..EExtended strand (participates in β ladder)trans-70.4134.6179-57.1178.3000110.6M1 L19 A21M1-L6 HydrophobicContact CE-CD2 3.99Å; L6-L19 HydrophobicContact CD1-CD2 3.94Å; L6-L19 HydrophobicContact CD2-CB 4.25Å; L6-L19 HydrophobicContact CD2-CD2 4.07Å; L6-L19 HydrophobicContact CG-CD2 4.49Å; L6-A21 HydrophobicContact CD2-CB 4.06Å
7I94.1Very high84.3Confident92 Ų9261.1 Ų61.147%0.47232%0.317SS..EExtended strand (participates in β ladder)trans-107.1-56.2-178.8-63.5174.6000111.1L20 T22I7-L20 HydrophobicContact CB-CD2 4.46Å; I7-L20 HydrophobicContact CB-CG 4.41Å; I7-L20 HydrophobicContact CD1-CG 4.47Å; I7-L20 HydrophobicContact CG2-CD2 4.31Å; I7-L20 PolarHBondContact N-O 2.94Å; I7-T22 HydrophobicContact CD1-CG2 3.65Å
8K92.3Very high84.6Confident68 Ų6858.1 Ų58.130%0.29630%0.302SS..EExtended strand (participates in β ladder)trans-153.8148.5179.258.1170.4172.7166.90111.1L10 L19 L20 S625K8-L10 HydrophobicContact CD-CD2 4.11Å; K8-L10 HydrophobicContact CG-CD2 4.22Å; K8-L10 PolarHBondContact O-N 3.41Å; K8-L19 CarbonylContact O-C 3.58Å; K8-L19 WeakPolarHBondContact O-CA 3.29Å; K8-L20 HydrophobicContact CD-CD2 4.5Å; K8-L20 HydrophobicContact CG-CB 3.91Å; K8-L20 HydrophobicContact CG-CD2 4.11Å; K8-L20 PolarHBondContact N-O 2.71Å; K8-L20 PolarHBondContact O-N 3.4Å; K8-S625 VanDerWaalsContact CE-OG 3.3Å; K8-S625 WeakPolarHBondContact CE-OG 3.37Å; K8-S625 PolarHBondContact NZ-O 2.97Å; K8-S625 PolarHBondContact NZ-OG 2.92Å
9Q88.8Confident85Confident105 Ų10556.8 Ų56.849%0.49130%0.295SS..EExtended strand (participates in β ladder)trans-71.6121.1163.2-172.2170.7000108.9G11Q9-G11 WeakPolarHBondContact CG-O 3.3Å; Q9-G11 PolarHBondContact NE2-O 2.92Å
10L82.1Confident85.4Confident4 Ų454.6 Ų54.62%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-78.1-35.8174.9-63.6173.1000110.5K8 V18 L20 A626 A627 Y630 K631K8-L10 HydrophobicContact CD-CD2 4.11Å; K8-L10 HydrophobicContact CG-CD2 4.22Å; K8-L10 PolarHBondContact O-N 3.41Å; L10-V18 PolarHBondContact N-O 2.76Å; L10-L20 HydrophobicContact CD1-CB 4Å; L10-L20 HydrophobicContact CD2-CB 3.99Å; L10-L20 HydrophobicContact CG-CB 3.88Å; L10-A626 HydrophobicContact CD2-CB 4.46Å; L10-A627 WeakPolarHBondContact O-CA 3.27Å; L10-Y630 HydrophobicContact CB-CD2 3.47Å; L10-Y630 VanDerWaalsContact CB-CD2 3.47Å; L10-Y630 HydrophobicContact CB-CE2 4.17Å; L10-Y630 HydrophobicContact CB-CG 4.22Å; L10-Y630 HydrophobicContact CD1-CD2 3.74Å; L10-Y630 HydrophobicContact CD1-CE2 3.52Å; L10-Y630 HydrophobicContact CG-CD2 4.25Å; L10-Y630 HydrophobicContact CG-CE2 4.49Å; L10-K631 VanDerWaalsContact O-CE 3.24Å; L10-K631 WeakPolarHBondContact O-CE 3.46Å
11G74Confident85.9Confident3 Ų352 Ų523%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-178.4-170.4172.800000115.1Q9 V18 Y630Q9-G11 WeakPolarHBondContact CG-O 3.3Å; Q9-G11 PolarHBondContact NE2-O 2.92Å; G11-V18 PolarHBondContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 2.8Å; G11-Y630 CarbonylContact C-O 3.46Å; G11-Y630 VanDerWaalsContact CA-O 3.3Å; G11-Y630 WeakPolarHBondContact CA-O 3.45Å
12D76.6Confident86.2Confident79 Ų7951.6 Ų51.642%0.42227%0.27SS..EExtended strand (participates in β ladder)trans-144.7115.9-178.9-165.843.4000110.4S17 K36 Y630D12-S17 WeakPolarHBondContact OD1-CA 3.44Å; D12-S17 VanDerWaalsContact OD1-CB 3.28Å; D12-S17 WeakPolarHBondContact OD1-CB 3.28Å; D12-S17 PolarHBondContact OD1-OG 2.81Å; D12-K36 WeakPolarHBondContact OD1-CE 3.29Å; D12-K36 IonicContact OD1-NZ 3.71Å; D12-K36 PolarHBondContact OD1-NZ 3.42Å; D12-K36 IonicContact OD2-NZ 3.32Å; D12-K36 PolarHBondContact OD2-NZ 2.97Å; D12-Y630 PolarHBondContact N-O 3.14Å
13G67.5Low86.5Confident30 Ų3045.8 Ų45.831%0.30924%0.239SC..  trans-104-178.9177.600000112.2Y15 G16 K36G13-Y15 VanDerWaalsContact C-N 3.35Å; G13-G16 PolarHBondContact N-O 3.43Å; G13-K36 PolarHBondContact O-NZ 3.31Å
14T65.4Low86.5Confident78 Ų7845.6 Ų45.648%0.47924%0.243SC..SBendtrans-67.9-33.2175.131.50000113K633T14-K633 VanDerWaalsContact CG2-NZ 3.27Å; T14-K633 PolarHBondContact OG1-NZ 3.27Å
15Y71.4Confident86.4Confident100 Ų10051 Ų5139%0.39227%0.269SS..SBendtrans-91.7-22.4-175.8-53.8-69.4000114G13 K36G13-Y15 VanDerWaalsContact C-N 3.35Å; Y15-K36 PolarHBondContact O-N 3.43Å
16G77.4Confident86.3Confident4 Ų452.1 Ų52.14%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-175.1160.1-174.100000114G13 K34G13-G16 PolarHBondContact N-O 3.43Å; G16-K34 CarbonylContact C-O 3.59Å; G16-K34 WeakPolarHBondContact CA-O 3.42Å
17S85.1Confident86.3Confident27 Ų2754.7 Ų54.719%0.18928%0.283CS..EExtended strand (participates in β ladder)trans-97.7139.6171.6-46.80000108.9D12 K34D12-S17 WeakPolarHBondContact OD1-CA 3.44Å; D12-S17 VanDerWaalsContact OD1-CB 3.28Å; D12-S17 WeakPolarHBondContact OD1-CB 3.28Å; D12-S17 PolarHBondContact OD1-OG 2.81Å; S17-K34 PolarHBondContact N-O 3.14Å; S17-K34 PolarHBondContact O-N 3.06Å
18V88.3Confident86.3Confident6 Ų654.3 Ų54.34%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-123.2130.5-176.6-164.20000112.3L10 G11 A31 I32 K33 Y630L10-V18 PolarHBondContact N-O 2.76Å; G11-V18 PolarHBondContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 2.8Å; V18-A31 HydrophobicContact CG1-CB 4.49Å; V18-I32 WeakPolarHBondContact CA-O 3.31Å; V18-I32 WeakPolarHBondContact CG1-O 3.24Å; V18-K33 HydrophobicContact CG1-CB 4.27Å; V18-K33 HydrophobicContact CG2-CB 3.9Å; V18-K33 HydrophobicContact CG2-CG 3.87Å; V18-Y630 HydrophobicContact CB-CD1 3.47Å; V18-Y630 VanDerWaalsContact CB-CD1 3.47Å; V18-Y630 HydrophobicContact CB-CD2 4.18Å; V18-Y630 HydrophobicContact CB-CE1 3.73Å; V18-Y630 HydrophobicContact CB-CE2 4.36Å; V18-Y630 HydrophobicContact CB-CG 3.67Å; V18-Y630 HydrophobicContact CG1-CD1 3.79Å; V18-Y630 HydrophobicContact CG1-CD2 4.18Å; V18-Y630 HydrophobicContact CG1-CE1 3.48Å; V18-Y630 VanDerWaalsContact CG1-CE1 3.48Å; V18-Y630 HydrophobicContact CG1-CE2 3.86Å; V18-Y630 HydrophobicContact CG1-CG 4.09Å; V18-Y630 VanDerWaalsContact CG1-CZ 3.48Å; V18-Y630 HydrophobicContact CG2-CD1 3.31Å; V18-Y630 HydrophobicContact CG2-CE1 3.61Å; V18-Y630 HydrophobicContact CG2-CG 3.99Å
19L92.1Very high86.3Confident34 Ų3455.6 Ų55.618%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-120.1137.2-172.1-54.292.6000110.3L6 K8 A31 I32 K34L6-L19 HydrophobicContact CD1-CD2 3.94Å; L6-L19 HydrophobicContact CD2-CB 4.25Å; L6-L19 HydrophobicContact CD2-CD2 4.07Å; L6-L19 HydrophobicContact CG-CD2 4.49Å; K8-L19 CarbonylContact O-C 3.58Å; K8-L19 WeakPolarHBondContact O-CA 3.29Å; L19-A31 WeakPolarHBondContact O-CA 3.42Å; L19-I32 PolarHBondContact N-O 3.18Å; L19-I32 PolarHBondContact O-N 2.8Å; L19-K34 HydrophobicContact CD1-CB 4.43Å
20L93.7Very high86.6Confident13 Ų1350.6 Ų50.67%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-78131.4161.7-176.166.7000108I7 K8 L10 K29 A81I7-L20 HydrophobicContact CB-CD2 4.46Å; I7-L20 HydrophobicContact CB-CG 4.41Å; I7-L20 HydrophobicContact CD1-CG 4.47Å; I7-L20 HydrophobicContact CG2-CD2 4.31Å; I7-L20 PolarHBondContact N-O 2.94Å; K8-L20 HydrophobicContact CD-CD2 4.5Å; K8-L20 HydrophobicContact CG-CB 3.91Å; K8-L20 HydrophobicContact CG-CD2 4.11Å; K8-L20 PolarHBondContact N-O 2.71Å; K8-L20 PolarHBondContact O-N 3.4Å; L10-L20 HydrophobicContact CD1-CB 4Å; L10-L20 HydrophobicContact CD2-CB 3.99Å; L10-L20 HydrophobicContact CG-CB 3.88Å; L20-K29 HydrophobicContact CD1-CB 4.26Å; L20-A81 HydrophobicContact CD1-CB 3.86Å
21A96Very high87.2Confident0 Ų050.5 Ų50.50%026%0.261CS..EExtended strand (participates in β ladder)trans-136.3167.4174.300000110.4T5 L6 K29 V30 I32T5-A21 CarbonylContact O-C 3.49Å; T5-A21 WeakPolarHBondContact O-CA 3.38Å; T5-A21 VanDerWaalsContact O-CB 3.31Å; T5-A21 WeakPolarHBondContact O-CB 3.27Å; L6-A21 HydrophobicContact CD2-CB 4.06Å; A21-K29 WeakPolarHBondContact O-CA 3.09Å; A21-V30 HydrophobicContact CB-CG2 4.15Å; A21-V30 PolarHBondContact N-O 3.23Å; A21-V30 PolarHBondContact O-N 2.71Å; A21-I32 HydrophobicContact CB-CD1 3.64Å; A21-I32 HydrophobicContact CB-CG1 4.2Å
22T96.3Very high88.1Confident29 Ų2950.4 Ų50.418%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-114.3142.4164.237.10000111.2Y4 T5 I7 K27 E28 K29Y4-T22 CarbonylContact C-O 3.45Å; Y4-T22 WeakPolarHBondContact CA-O 3.49Å; T5-T22 PolarHBondContact N-O 2.76Å; T5-T22 PolarHBondContact O-N 2.7Å; I7-T22 HydrophobicContact CD1-CG2 3.65Å; T22-K27 WeakPolarHBondContact CG2-O 3.46Å; T22-E28 CarbonylContact C-O 3.55Å; T22-E28 VanDerWaalsContact CA-O 3.26Å; T22-E28 WeakPolarHBondContact CA-O 3Å; T22-K29 HydrophobicContact CG2-CG 4.15Å
23V96Very high88.8Confident13 Ų1347.2 Ų47.28%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-66.7129.5167.5-176.40000108.3Y4 E25 T26 K27 E28 V30Y4-V23 HydrophobicContact CD1-CG2 4.18Å; Y4-V23 HydrophobicContact CE1-CG2 4.02Å; V23-E25 VanDerWaalsContact C-N 3.33Å; V23-E25 HydrophobicContact CG1-CB 4.31Å; V23-E25 PolarHBondContact O-N 3.4Å; V23-T26 WeakPolarHBondContact CB-OG1 3.39Å; V23-K27 WeakPolarHBondContact O-CA 3.35Å; V23-K27 PolarHBondContact O-N 2.81Å; V23-E28 HydrophobicContact CG2-CB 4.5Å; V23-E28 PolarHBondContact N-O 2.92Å; V23-V30 HydrophobicContact CG2-CG1 3.92Å; V23-V30 HydrophobicContact CG2-CG2 4.36Å
24Q93.9Very high89.9Confident91 Ų9148.5 Ų48.543%0.42524%0.239SC..THydrogen-bonded Turntrans-67-35.2-176-74.3179.81.600113N2 R3 T5 K27N2-Q24 PolarHBondContact O-NE2 3.36Å; N2-Q24 PolarHBondContact O-OE1 3.4Å; N2-Q24 VanDerWaalsContact O-OE1 3.14Å; R3-Q24 PolarHBondContact O-N 3.12Å; T5-Q24 WeakPolarHBondContact OG1-CG 3.44Å; T5-Q24 PolarHBondContact OG1-NE2 3.28Å; Q24-K27 WeakPolarHBondContact O-CE 3.33Å; Q24-K27 PolarHBondContact O-NZ 2.69Å
25E93.5Very high91Very high134 Ų13445.6 Ų45.663%0.62622%0.22SC*.THydrogen-bonded Turntrans-71.6-62.1178.9-65.8148.3-14000111.3R3 V23R3-E25 VanDerWaalsContact CD-OE1 3.29Å; R3-E25 WeakPolarHBondContact CD-OE1 3.35Å; V23-E25 VanDerWaalsContact C-N 3.33Å; V23-E25 HydrophobicContact CG1-CB 4.31Å; V23-E25 PolarHBondContact O-N 3.4Å
26T94.5Very high91.6Very high90 Ų9045.4 Ų45.455%0.55222%0.221SC*.THydrogen-bonded Turntrans-87.2-8.9-171.863.30000114.8V23 E28V23-T26 WeakPolarHBondContact CB-OG1 3.39Å; T26-E28 PolarHBondContact O-N 3.33Å; T26-E28 VanDerWaalsContact O-N 3.08Å; T26-E28 VanDerWaalsContact OG1-CB 3.3Å; T26-E28 WeakPolarHBondContact OG1-CB 3.45Å; T26-E28 PolarHBondContact OG1-N 2.96Å
27K93.2Very high92Very high149 Ų14952.2 Ų52.265%0.64825%0.246SC*.  trans57.79.9-168.9-48.2-52.1-177.4-1640115T22 V23 Q24T22-K27 WeakPolarHBondContact CG2-O 3.46Å; V23-K27 WeakPolarHBondContact O-CA 3.35Å; V23-K27 PolarHBondContact O-N 2.81Å; Q24-K27 WeakPolarHBondContact O-CE 3.33Å; Q24-K27 PolarHBondContact O-NZ 2.69Å
28E93.7Very high92.2Very high83 Ų8355.5 Ų55.539%0.38826%0.257SS..  trans-70.3140.3-178.3-165.8-174.5-176.800111.7T22 V23 T26 R66T22-E28 CarbonylContact C-O 3.55Å; T22-E28 VanDerWaalsContact CA-O 3.26Å; T22-E28 WeakPolarHBondContact CA-O 3Å; V23-E28 HydrophobicContact CG2-CB 4.5Å; V23-E28 PolarHBondContact N-O 2.92Å; T26-E28 PolarHBondContact O-N 3.33Å; T26-E28 VanDerWaalsContact O-N 3.08Å; T26-E28 VanDerWaalsContact OG1-CB 3.3Å; T26-E28 WeakPolarHBondContact OG1-CB 3.45Å; T26-E28 PolarHBondContact OG1-N 2.96Å; E28-R66 IonicContact OE1-CZ 2.7Å; E28-R66 IonicContact OE1-NH1 3.23Å; E28-R66 PolarHBondContact OE1-NH1 2.87Å; E28-R66 VanDerWaalsContact OE1-NH1 3.11Å; E28-R66 IonicContact OE1-NH2 3.83Å; E28-R66 PolarHBondContact OE1-NH2 2.86Å; E28-R66 IonicContact OE2-CZ 3.4Å; E28-R66 IonicContact OE2-NH1 2.71Å; E28-R66 PolarHBondContact OE2-NH1 2.84Å; E28-R66 IonicContact OE2-NH2 2.74Å
29K94Very high92.3Very high95 Ų9555.3 Ų55.341%0.41326%0.255SS..EExtended strand (participates in β ladder)trans-75.6132.3176.7-64173.4-172.8165.60110.4L20 A21 T22 A81 E83L20-K29 HydrophobicContact CD1-CB 4.26Å; A21-K29 WeakPolarHBondContact O-CA 3.09Å; T22-K29 HydrophobicContact CG2-CG 4.15Å; K29-A81 HydrophobicContact CB-CB 3.79Å; K29-A81 WeakPolarHBondContact O-CB 3.49Å; K29-E83 IonicContact NZ-OE1 2.81Å; K29-E83 PolarHBondContact NZ-OE1 2.69Å
30V94.7Very high92.3Very high1 Ų160.9 Ų60.91%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-132.1151.8174.7-66.90000111.3Y4 A21 V23 I32 I78 F79Y4-V30 HydrophobicContact CD1-CG2 3.79Å; Y4-V30 HydrophobicContact CE1-CG2 4.01Å; A21-V30 HydrophobicContact CB-CG2 4.15Å; A21-V30 PolarHBondContact N-O 3.23Å; A21-V30 PolarHBondContact O-N 2.71Å; V23-V30 HydrophobicContact CG2-CG1 3.92Å; V23-V30 HydrophobicContact CG2-CG2 4.36Å; V30-I32 HydrophobicContact CG2-CD1 4.26Å; V30-I32 HydrophobicContact CG2-CG1 4.14Å; V30-I78 HydrophobicContact CB-CG2 4Å; V30-I78 HydrophobicContact CG1-CG2 4.24Å; V30-I78 HydrophobicContact CG2-CG2 4.22Å; V30-F79 WeakPolarHBondContact CA-O 3.49Å; V30-F79 WeakPolarHBondContact CB-O 3.42Å
31A93.6Very high92.2Very high2 Ų262.8 Ų62.82%0.01729%0.29CS..EExtended strand (participates in β ladder)trans-102.7125.1172.600000109.9V18 L19 F79 Y630V18-A31 HydrophobicContact CG1-CB 4.49Å; L19-A31 WeakPolarHBondContact O-CA 3.42Å; A31-F79 HydrophobicContact CB-CB 4.42Å; A31-F79 PolarHBondContact N-O 2.69Å; A31-F79 PolarHBondContact O-N 2.88Å; A31-Y630 WeakPolarHBondContact CB-OH 3.48Å
32I93.4Very high91.9Very high0 Ų068.1 Ų68.10%031%0.31CS..EExtended strand (participates in β ladder)trans-114.4105.5-174.8-52.1-175.2000109.3M1 Y4 V18 L19 A21 V30 K34 Y76 L77 I78M1-I32 HydrophobicContact CE-CD1 3.78Å; M1-I32 HydrophobicContact CE-CG2 4.17Å; M1-I32 HydrophobicContact SD-CD1 4.32Å; M1-I32 HydrophobicContact SD-CG2 4.31Å; Y4-I32 HydrophobicContact CD1-CD1 4.05Å; Y4-I32 HydrophobicContact CD2-CD1 3.99Å; Y4-I32 HydrophobicContact CG-CD1 3.68Å; V18-I32 WeakPolarHBondContact CA-O 3.31Å; V18-I32 WeakPolarHBondContact CG1-O 3.24Å; L19-I32 PolarHBondContact N-O 3.18Å; L19-I32 PolarHBondContact O-N 2.8Å; A21-I32 HydrophobicContact CB-CD1 3.64Å; A21-I32 HydrophobicContact CB-CG1 4.2Å; V30-I32 HydrophobicContact CG2-CD1 4.26Å; V30-I32 HydrophobicContact CG2-CG1 4.14Å; I32-K34 PolarHBondContact O-N 3.3Å; I32-Y76 HydrophobicContact CG2-CD1 3.87Å; I32-Y76 HydrophobicContact CG2-CG 4.46Å; I32-L77 WeakPolarHBondContact CA-O 3.16Å; I32-I78 HydrophobicContact CD1-CG1 4.49Å; I32-I78 HydrophobicContact CG1-CG1 4.2Å; I32-I78 HydrophobicContact CG2-CG1 4.32Å
33K90.3Very high91.6Very high13 Ų1372 Ų726%0.05733%0.33CS..EExtended strand (participates in β ladder)trans-86.5100.8176.3179.2173.8178.6-178.40108.6V18 M35 E50 Y76 L77 F79 D143V18-K33 HydrophobicContact CG1-CB 4.27Å; V18-K33 HydrophobicContact CG2-CB 3.9Å; V18-K33 HydrophobicContact CG2-CG 3.87Å; K33-M35 HydrophobicContact CD-SD 4.38Å; K33-M35 HydrophobicContact CG-SD 4.06Å; K33-E50 IonicContact NZ-OE1 3.64Å; K33-E50 PolarHBondContact NZ-OE1 2.84Å; K33-E50 IonicContact NZ-OE2 3.65Å; K33-E50 PolarHBondContact NZ-OE2 3.22Å; K33-Y76 WeakPolarHBondContact O-CA 3.31Å; K33-L77 HydrophobicContact CB-CB 4.36Å; K33-L77 PolarHBondContact N-O 2.91Å; K33-L77 PolarHBondContact O-N 2.68Å; K33-F79 HydrophobicContact CB-CE2 4Å; K33-F79 HydrophobicContact CD-CE2 4.4Å; K33-D143 IonicContact NZ-OD1 3.24Å; K33-D143 PolarHBondContact NZ-OD1 2.86Å
34K91.5Very high91.2Very high57 Ų5773.5 Ų73.525%0.24834%0.336CS..EExtended strand (participates in β ladder)trans-81.1117.4172.2-178.2-176.4-178.6-178.70109G16 S17 L19 I32 Y76G16-K34 CarbonylContact C-O 3.59Å; G16-K34 WeakPolarHBondContact CA-O 3.42Å; S17-K34 PolarHBondContact N-O 3.14Å; S17-K34 PolarHBondContact O-N 3.06Å; L19-K34 HydrophobicContact CD1-CB 4.43Å; I32-K34 PolarHBondContact O-N 3.3Å; K34-Y76 HydrophobicContact CB-CD1 3.82Å; K34-Y76 HydrophobicContact CB-CE1 3.84Å; K34-Y76 HydrophobicContact CD-CE1 3.7Å; K34-Y76 HydrophobicContact CG-CD1 3.95Å; K34-Y76 HydrophobicContact CG-CE1 3.59Å
35M88.4Confident90.8Very high17 Ų1769.1 Ų69.18%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-71.1143.6177.4-55.2-56.3-80.700111K33 F39 L75 L77K33-M35 HydrophobicContact CD-SD 4.38Å; K33-M35 HydrophobicContact CG-SD 4.06Å; M35-F39 HydrophobicContact CB-CE2 4.01Å; M35-F39 HydrophobicContact CG-CE2 4.49Å; M35-L75 HydrophobicContact CB-CB 4.22Å; M35-L75 HydrophobicContact CG-CB 4.05Å; M35-L75 HydrophobicContact CG-CD2 4.23Å; M35-L75 HydrophobicContact CG-CG 4.18Å; M35-L75 PolarHBondContact N-O 2.73Å; M35-L77 HydrophobicContact SD-CD1 4.26Å
36K83.9Confident90.4Very high95 Ų9566.1 Ų66.141%0.41330%0.303SS..EExtended strand (participates in β ladder)trans-80.6-32.7178.4-82173.2174.71780113.2D12 G13 Y15D12-K36 WeakPolarHBondContact OD1-CE 3.29Å; D12-K36 IonicContact OD1-NZ 3.71Å; D12-K36 PolarHBondContact OD1-NZ 3.42Å; D12-K36 IonicContact OD2-NZ 3.32Å; D12-K36 PolarHBondContact OD2-NZ 2.97Å; G13-K36 PolarHBondContact O-NZ 3.31Å; Y15-K36 PolarHBondContact O-N 3.43Å
37R85.9Confident89.9Confident147 Ų14766.5 Ų66.556%0.55530%0.302SS*.EExtended strand (participates in β ladder)trans-65.8139.5168.3170.2169.8170.8146.9-0.9109.6F39 E44R37-F39 HydrophobicContact CB-CE2 3.83Å; R37-F39 HydrophobicContact CB-CZ 3.97Å; R37-F39 HydrophobicContact CG-CD2 4.34Å; R37-F39 HydrophobicContact CG-CE1 4.16Å; R37-F39 HydrophobicContact CG-CE2 3.74Å; R37-F39 HydrophobicContact CG-CZ 3.62Å; R37-F39 VanDerWaalsContact O-CD2 3.29Å; R37-F39 WeakPolarHBondContact O-CD2 3.16Å; R37-F39 VanDerWaalsContact O-CE2 3.24Å; R37-F39 WeakPolarHBondContact O-CE2 3.41Å; R37-E44 IonicContact CZ-OE1 3.18Å; R37-E44 IonicContact NE-OE1 2.82Å; R37-E44 PolarHBondContact NE-OE1 2.96Å; R37-E44 IonicContact NH2-OE1 3.06Å; R37-E44 PolarHBondContact NH2-OE1 3.04Å
38K90.2Very high89.3Confident96 Ų9661.4 Ų61.442%0.41728%0.281SS..EExtended strand (participates in β ladder)trans-81.4147.3167.8-70.2-179.3-178.7174.90110.4Y40 N73 Y74K38-Y40 HydrophobicContact CB-CE2 4.35Å; K38-N73 CarbonylContact C-O 3.46Å; K38-N73 WeakPolarHBondContact CA-O 3.47Å; K38-N73 HydrophobicContact CB-CB 4.42Å; K38-N73 WeakPolarHBondContact CB-O 3.48Å; K38-Y74 HydrophobicContact CG-CE1 4.34Å
39F89.8Confident88.4Confident3 Ų365.1 Ų65.11%0.01329%0.292CS..  trans-129.3118.3179.9-66.7-87.5000109.6M35 R37 E44 C45 L48 R70 N73 L75M35-F39 HydrophobicContact CB-CE2 4.01Å; M35-F39 HydrophobicContact CG-CE2 4.49Å; R37-F39 HydrophobicContact CB-CE2 3.83Å; R37-F39 HydrophobicContact CB-CZ 3.97Å; R37-F39 HydrophobicContact CG-CD2 4.34Å; R37-F39 HydrophobicContact CG-CE1 4.16Å; R37-F39 HydrophobicContact CG-CE2 3.74Å; R37-F39 HydrophobicContact CG-CZ 3.62Å; R37-F39 VanDerWaalsContact O-CD2 3.29Å; R37-F39 WeakPolarHBondContact O-CD2 3.16Å; R37-F39 VanDerWaalsContact O-CE2 3.24Å; R37-F39 WeakPolarHBondContact O-CE2 3.41Å; F39-E44 VanDerWaalsContact CA-OE2 3.3Å; F39-E44 WeakPolarHBondContact CA-OE2 3.43Å; F39-E44 HydrophobicContact CD1-CB 4.26Å; F39-E44 VanDerWaalsContact CD1-CD 3.47Å; F39-E44 HydrophobicContact CD1-CG 3.74Å; F39-E44 VanDerWaalsContact CD1-OE1 3.31Å; F39-E44 WeakPolarHBondContact CD1-OE1 3.45Å; F39-E44 HydrophobicContact CE1-CG 4.33Å; F39-C45 WeakPolarHBondContact CB-SG 3.4Å; F39-L48 HydrophobicContact CD1-CD1 4.48Å; F39-L48 HydrophobicContact CE1-CD1 3.72Å; F39-L48 HydrophobicContact CE1-CD2 3.69Å; F39-L48 HydrophobicContact CE1-CG 3.86Å; F39-L48 HydrophobicContact CE2-CD1 4.39Å; F39-L48 HydrophobicContact CZ-CD1 3.66Å; F39-L48 HydrophobicContact CZ-CD2 3.91Å; F39-L48 HydrophobicContact CZ-CG 4.2Å; F39-R70 PolarHBondContact O-NH1 2.97Å; F39-N73 PolarHBondContact N-O 3.42Å; F39-N73 WeakPolarHBondContact O-CA 3.44Å; F39-L75 HydrophobicContact CD2-CB 3.51Å; F39-L75 HydrophobicContact CD2-CD2 4.09Å; F39-L75 HydrophobicContact CD2-CG 4.46Å; F39-L75 HydrophobicContact CE2-CB 4Å; F39-L75 HydrophobicContact CE2-CD2 4.11Å; F39-L75 HydrophobicContact CG-CB 4.21Å; F39-L75 HydrophobicContact CG-CD2 4.4Å; F39-L75 HydrophobicContact CZ-CD2 4.46Å
40Y91.2Very high87.4Confident150 Ų15061.7 Ų61.759%0.58828%0.277SS*.  trans-92-26.4-169.4-62.8-76.7000112.9K38 E44 R70 N73K38-Y40 HydrophobicContact CB-CE2 4.35Å; Y40-E44 PolarHBondContact N-OE2 2.93Å; Y40-R70 PolarHBondContact O-NH1 2.85Å; Y40-R70 VanDerWaalsContact O-NH1 3.12Å; Y40-N73 HydrophobicContact CD1-CB 4.22Å; Y40-N73 HydrophobicContact CE1-CB 4.29Å
41S91.5Very high86.7Confident54 Ų5461.9 Ų61.938%0.37828%0.278SS..SBendtrans-121.9158173.376.50000112.4N43 E44 C45S41-N43 VanDerWaalsContact C-N 3.31Å; S41-E44 WeakPolarHBondContact O-CB 3.36Å; S41-E44 PolarHBondContact O-N 3.01Å; S41-E44 WeakPolarHBondContact OG-CB 3.27Å; S41-E44 PolarHBondContact OG-N 3.39Å; S41-C45 PolarHBondContact O-N 3.44Å; S41-C45 PolarHBondContact O-SG 2.92Å
42W89.9Confident86.1Confident112 Ų11266.4 Ų66.442%0.42430%0.298SS..Hα-helixtrans-68-33.8172.5-169.2-110.4000112E44 C45 L46 I68 R70W42-E44 VanDerWaalsContact C-N 3.28Å; W42-E44 PolarHBondContact O-N 3.31Å; W42-C45 WeakPolarHBondContact O-CB 3.44Å; W42-C45 PolarHBondContact O-N 3.38Å; W42-C45 VanDerWaalsContact O-N 3.14Å; W42-L46 HydrophobicContact CZ2-CD2 4.47Å; W42-L46 PolarHBondContact O-N 3.33Å; W42-I68 HydrophobicContact CH2-CB 4.05Å; W42-I68 HydrophobicContact CH2-CG2 3.79Å; W42-I68 WeakPolarHBondContact CH2-O 3.38Å; W42-I68 HydrophobicContact CZ2-CG2 4.48Å; W42-I68 HydrophobicContact CZ3-CG2 4.2Å; W42-R70 HydrophobicContact CE3-CB 3.74Å; W42-R70 HydrophobicContact CZ3-CB 3.61Å
43N90Very high85.4Confident111 Ų11166.5 Ų66.559%0.59430%0.298SS*.Hα-helixtrans-63.3-34.3175.4-67.8-5.1000111.8S41 N47S41-N43 VanDerWaalsContact C-N 3.31Å; N43-N47 WeakPolarHBondContact O-CB 3.45Å; N43-N47 PolarHBondContact O-N 2.94Å; N43-N47 PolarHBondContact O-ND2 3.14Å
44E88.5Confident84.9Confident43 Ų4366.2 Ų66.220%0.20130%0.297CS..Hα-helixtrans-63.4-45.8172.3-162.2-164.3159.800111R37 F39 Y40 S41 W42 N47 L48R37-E44 IonicContact CZ-OE1 3.18Å; R37-E44 IonicContact NE-OE1 2.82Å; R37-E44 PolarHBondContact NE-OE1 2.96Å; R37-E44 IonicContact NH2-OE1 3.06Å; R37-E44 PolarHBondContact NH2-OE1 3.04Å; F39-E44 VanDerWaalsContact CA-OE2 3.3Å; F39-E44 WeakPolarHBondContact CA-OE2 3.43Å; F39-E44 HydrophobicContact CD1-CB 4.26Å; F39-E44 VanDerWaalsContact CD1-CD 3.47Å; F39-E44 HydrophobicContact CD1-CG 3.74Å; F39-E44 VanDerWaalsContact CD1-OE1 3.31Å; F39-E44 WeakPolarHBondContact CD1-OE1 3.45Å; F39-E44 HydrophobicContact CE1-CG 4.33Å; Y40-E44 PolarHBondContact N-OE2 2.93Å; S41-E44 WeakPolarHBondContact O-CB 3.36Å; S41-E44 PolarHBondContact O-N 3.01Å; S41-E44 WeakPolarHBondContact OG-CB 3.27Å; S41-E44 PolarHBondContact OG-N 3.39Å; W42-E44 VanDerWaalsContact C-N 3.28Å; W42-E44 PolarHBondContact O-N 3.31Å; E44-N47 PolarHBondContact O-N 3.06Å; E44-L48 PolarHBondContact O-N 2.99Å
45C86.1Confident84.4Confident0 Ų067.6 Ų67.60%031%0.314CS..Hα-helixtrans-60.8-49.5176.5-58.50000112.4F39 S41 W42 N47 L48 R70 L75F39-C45 WeakPolarHBondContact CB-SG 3.4Å; S41-C45 PolarHBondContact O-N 3.44Å; S41-C45 PolarHBondContact O-SG 2.92Å; W42-C45 WeakPolarHBondContact O-CB 3.44Å; W42-C45 PolarHBondContact O-N 3.38Å; W42-C45 VanDerWaalsContact O-N 3.14Å; C45-N47 VanDerWaalsContact C-N 3.26Å; C45-N47 PolarHBondContact O-N 3.31Å; C45-L48 WeakPolarHBondContact O-CB 3.37Å; C45-L48 PolarHBondContact O-N 3.24Å; C45-R70 VanDerWaalsContact SG-CD 3.57Å; C45-L75 HydrophobicContact CB-CD1 3.9Å; C45-L75 HydrophobicContact CB-CD2 4.01Å
46L85.2Confident84.2Confident71 Ų7172.9 Ų72.937%0.37234%0.337SS..Hα-helixtrans-69-24.2179.9-67.1-174.2000112.8W42 L48 V51 K52 I68W42-L46 HydrophobicContact CZ2-CD2 4.47Å; W42-L46 PolarHBondContact O-N 3.33Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-V51 HydrophobicContact CD2-CG1 4.27Å; L46-K52 WeakPolarHBondContact O-CE 3.48Å; L46-K52 WeakPolarHBondContact O-CG 3.3Å; L46-I68 HydrophobicContact CD2-CD1 4.28Å
47N83.7Confident84.3Confident98 Ų9868.5 Ų68.552%0.52432%0.318SS..Hα-helixtrans-79.7-10.4176.1-82.9-62.5000114.5N43 E44 C45 R49 K52N43-N47 WeakPolarHBondContact O-CB 3.45Å; N43-N47 PolarHBondContact O-N 2.94Å; N43-N47 PolarHBondContact O-ND2 3.14Å; E44-N47 PolarHBondContact O-N 3.06Å; C45-N47 VanDerWaalsContact C-N 3.26Å; C45-N47 PolarHBondContact O-N 3.31Å; N47-R49 PolarHBondContact O-N 2.96Å; N47-K52 VanDerWaalsContact CA-CE 3.49Å; N47-K52 VanDerWaalsContact OD1-CE 3.27Å; N47-K52 WeakPolarHBondContact OD1-CE 3.3Å; N47-K52 PolarHBondContact OD1-NZ 3.25Å
48L80.2Confident84.5Confident42 Ų4265.6 Ų65.622%0.2232%0.32CS..  trans-56.8130.7173.1-74.2176.4000112F39 E44 C45 L46 E50 V51 K52 L75F39-L48 HydrophobicContact CD1-CD1 4.48Å; F39-L48 HydrophobicContact CE1-CD1 3.72Å; F39-L48 HydrophobicContact CE1-CD2 3.69Å; F39-L48 HydrophobicContact CE1-CG 3.86Å; F39-L48 HydrophobicContact CE2-CD1 4.39Å; F39-L48 HydrophobicContact CZ-CD1 3.66Å; F39-L48 HydrophobicContact CZ-CD2 3.91Å; F39-L48 HydrophobicContact CZ-CG 4.2Å; E44-L48 PolarHBondContact O-N 2.99Å; C45-L48 WeakPolarHBondContact O-CB 3.37Å; C45-L48 PolarHBondContact O-N 3.24Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L48-E50 VanDerWaalsContact C-N 3.27Å; L48-E50 PolarHBondContact O-N 2.93Å; L48-V51 HydrophobicContact CB-CB 4.13Å; L48-V51 HydrophobicContact CB-CG2 4.06Å; L48-V51 HydrophobicContact CD1-CG2 4.31Å; L48-V51 PolarHBondContact O-N 2.96Å; L48-K52 PolarHBondContact O-N 3.18Å; L48-L75 HydrophobicContact CD1-CD2 3.37Å
49R74.1Confident84.7Confident160 Ų16062.8 Ų62.860%0.60431%0.308SS*.Hα-helixtrans-53.9-43.2174.6-172.2-179-65.7131.80.5112.1N47 V51 K52 S53N47-R49 PolarHBondContact O-N 2.96Å; R49-V51 VanDerWaalsContact C-N 3.31Å; R49-V51 PolarHBondContact O-N 3.4Å; R49-K52 PolarHBondContact O-N 3.48Å; R49-S53 WeakPolarHBondContact O-CB 3.43Å; R49-S53 PolarHBondContact O-N 2.72Å; R49-S53 PolarHBondContact O-OG 3.28Å
50E72.7Confident85Confident24 Ų2467.2 Ų67.211%0.11234%0.337CS..Hα-helixtrans-58.5-42.1177.5-174.8172.5-179.600111.8K33 L48 L54 L77K33-E50 IonicContact NZ-OE1 3.64Å; K33-E50 PolarHBondContact NZ-OE1 2.84Å; K33-E50 IonicContact NZ-OE2 3.65Å; K33-E50 PolarHBondContact NZ-OE2 3.22Å; L48-E50 VanDerWaalsContact C-N 3.27Å; L48-E50 PolarHBondContact O-N 2.93Å; E50-L54 HydrophobicContact CG-CD1 3.94Å; E50-L54 VanDerWaalsContact O-CB 3.27Å; E50-L54 WeakPolarHBondContact O-CB 3.24Å; E50-L54 WeakPolarHBondContact O-CG 3.4Å; E50-L54 PolarHBondContact O-N 2.94Å; E50-L77 HydrophobicContact CG-CD1 4.49Å
51V81.5Confident85.2Confident4 Ų460.8 Ų60.82%0.02431%0.313CS..Hα-helixtrans-69.1-46.6176.9169.20000111.7L46 L48 R49 S53 L54 S55 I68 L77L46-V51 HydrophobicContact CD2-CG1 4.27Å; L48-V51 HydrophobicContact CB-CB 4.13Å; L48-V51 HydrophobicContact CB-CG2 4.06Å; L48-V51 HydrophobicContact CD1-CG2 4.31Å; L48-V51 PolarHBondContact O-N 2.96Å; R49-V51 VanDerWaalsContact C-N 3.31Å; R49-V51 PolarHBondContact O-N 3.4Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 3.11Å; V51-L54 PolarHBondContact O-N 3.37Å; V51-S55 PolarHBondContact O-N 3.08Å; V51-S55 PolarHBondContact O-OG 3.4Å; V51-I68 HydrophobicContact CB-CD1 4.48Å; V51-I68 HydrophobicContact CG1-CD1 3.51Å; V51-I68 HydrophobicContact CG2-CD1 4.16Å; V51-L77 HydrophobicContact CG2-CD2 3.94Å
52K80.7Confident85.4Confident98 Ų9858.2 Ų58.243%0.42630%0.295SS..Hα-helixtrans-64.4-30.4178.4-64.6-163.2-169-168.90113.6L46 N47 L48 R49 S55L46-K52 WeakPolarHBondContact O-CE 3.48Å; L46-K52 WeakPolarHBondContact O-CG 3.3Å; N47-K52 VanDerWaalsContact CA-CE 3.49Å; N47-K52 VanDerWaalsContact OD1-CE 3.27Å; N47-K52 WeakPolarHBondContact OD1-CE 3.3Å; N47-K52 PolarHBondContact OD1-NZ 3.25Å; L48-K52 PolarHBondContact O-N 3.18Å; R49-K52 PolarHBondContact O-N 3.48Å; K52-S55 PolarHBondContact O-OG 3.08Å
53S77.4Confident85.5Confident2 Ų253.2 Ų53.21%0.01428%0.277CS..Hα-helixtrans-73.1-53.6171.6-59.70000110.4R49 V51 S55 K56 L57 F121R49-S53 WeakPolarHBondContact O-CB 3.43Å; R49-S53 PolarHBondContact O-N 2.72Å; R49-S53 PolarHBondContact O-OG 3.28Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 3.11Å; S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.02Å; S53-K56 PolarHBondContact O-N 3.13Å; S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 WeakPolarHBondContact O-CD1 3.35Å; S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 2.79Å; S53-L57 VanDerWaalsContact O-N 3.13Å; S53-F121 WeakPolarHBondContact OG-CE1 3.26Å
54L80.3Confident85.5Confident7 Ų753.4 Ų53.44%0.03727%0.272CS..Hα-helixtrans-59.1-38.7-176.2-86.6167.9000113.8E50 V51 K56 L57 L65 F79 F144E50-L54 HydrophobicContact CG-CD1 3.94Å; E50-L54 VanDerWaalsContact O-CB 3.27Å; E50-L54 WeakPolarHBondContact O-CB 3.24Å; E50-L54 WeakPolarHBondContact O-CG 3.4Å; E50-L54 PolarHBondContact O-N 2.94Å; V51-L54 PolarHBondContact O-N 3.37Å; L54-K56 PolarHBondContact O-N 3.16Å; L54-L57 PolarHBondContact O-N 3.38Å; L54-L57 VanDerWaalsContact O-N 3.16Å; L54-L65 HydrophobicContact CB-CB 4.02Å; L54-L65 HydrophobicContact CB-CD2 3.67Å; L54-L65 HydrophobicContact CB-CG 4.47Å; L54-L65 HydrophobicContact CD1-CB 4.36Å; L54-L65 HydrophobicContact CD1-CD2 4.13Å; L54-L65 HydrophobicContact CD2-CB 4.14Å; L54-L65 HydrophobicContact CG-CB 4.42Å; L54-L65 HydrophobicContact CG-CD2 4.49Å; L54-F79 HydrophobicContact CD1-CE1 3.67Å; L54-F79 HydrophobicContact CD1-CZ 3.65Å; L54-F79 HydrophobicContact CD2-CE1 3.84Å; L54-F79 HydrophobicContact CG-CE1 4.43Å; L54-F144 HydrophobicContact CD2-CD2 3.49Å; L54-F144 VanDerWaalsContact CD2-CD2 3.49Å; L54-F144 HydrophobicContact CD2-CE2 3.85Å; L54-F144 HydrophobicContact CG-CD2 4.11Å
55S81.8Confident85.6Confident86 Ų8652.6 Ų52.660%0.60127%0.269SS*.THydrogen-bonded Turntrans-66.5-22.1178.260.60000113.7V51 K52 S53V51-S55 PolarHBondContact O-N 3.08Å; V51-S55 PolarHBondContact O-OG 3.4Å; K52-S55 PolarHBondContact O-OG 3.08Å; S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.02Å
56K83.6Confident85.8Confident127 Ų12757 Ų5755%0.55229%0.286SS*.THydrogen-bonded Turntrans-91.3-18.1173.3-65.1-177.5176.8-171.40113.4S53 L54 S58 F121S53-K56 PolarHBondContact O-N 3.13Å; L54-K56 PolarHBondContact O-N 3.16Å; K56-S58 PolarHBondContact O-N 3.34Å; K56-F121 HydrophobicContact CB-CE2 4.39Å; K56-F121 HydrophobicContact CD-CE2 4.09Å; K56-F121 HydrophobicContact CD-CZ 4.34Å
57L86.8Confident86.1Confident3 Ų356.8 Ų56.82%0.01628%0.283CS..  trans-96.259.3-169.3-70.9170.4000113.1S53 L54 I62 F115 M116 Q119 F121S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 WeakPolarHBondContact O-CD1 3.35Å; S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 2.79Å; S53-L57 VanDerWaalsContact O-N 3.13Å; L54-L57 PolarHBondContact O-N 3.38Å; L54-L57 VanDerWaalsContact O-N 3.16Å; L57-I62 HydrophobicContact CB-CD1 4.36Å; L57-I62 HydrophobicContact CB-CG2 4.23Å; L57-I62 HydrophobicContact CD2-CD1 4.17Å; L57-I62 WeakPolarHBondContact O-CG2 3.21Å; L57-F115 HydrophobicContact CD2-CD1 4.35Å; L57-F115 HydrophobicContact CD2-CE1 4.29Å; L57-M116 HydrophobicContact CD1-CE 4.01Å; L57-M116 HydrophobicContact CD2-CB 4.17Å; L57-M116 HydrophobicContact CD2-CG 3.97Å; L57-Q119 HydrophobicContact CD2-CB 4.14Å; L57-Q119 HydrophobicContact CD2-CG 4.3Å; L57-F121 HydrophobicContact CD1-CD2 4.5Å; L57-F121 HydrophobicContact CD2-CD2 4.26Å; L57-F121 HydrophobicContact CG-CD2 4.43Å
58S89.8Confident86.5Confident86 Ų8653.6 Ų53.660%0.60127%0.266SS*.  trans-90.8104.9173.9-175.20000111.6K56 F115K56-S58 PolarHBondContact O-N 3.34Å; S58-F115 VanDerWaalsContact O-CZ 3.24Å; S58-F115 WeakPolarHBondContact O-CZ 3.22Å
59H94.4Very high87.1Confident38 Ų3852.7 Ų52.718%0.17626%0.262CS..  trans-152.9146.6179.2-173.1-103000110.3N61 I62 F115H59-N61 VanDerWaalsContact C-N 3.26Å; H59-N61 PolarHBondContact ND1-N 3.02Å; H59-N61 PolarHBondContact O-N 3.38Å; H59-I62 HydrophobicContact CB-CB 4.09Å; H59-I62 HydrophobicContact CB-CD1 3.85Å; H59-I62 HydrophobicContact CB-CG1 3.93Å; H59-I62 PolarHBondContact O-N 3.38Å; H59-F115 HydrophobicContact CB-CB 4.32Å; H59-F115 HydrophobicContact CB-CD1 3.73Å; H59-F115 HydrophobicContact CB-CD2 4.37Å; H59-F115 HydrophobicContact CB-CE1 4.08Å; H59-F115 HydrophobicContact CB-CG 3.88Å; H59-F115 AromaticContact CD2-CD2 3.69Å; H59-F115 AromaticContact CD2-CG 3.66Å; H59-F115 AromaticContact CG-CG 3.84Å
60P95.2Very high88Confident95 Ų9549.1 Ų49.162%0.61725%0.248SC*.THydrogen-bonded Turntrans-54.2-40-179.2-29.537.2000114.1I62 K140P60-I62 VanDerWaalsContact C-N 3.32Å; P60-I62 PolarHBondContact O-N 2.79Å; P60-K140 WeakPolarHBondContact O-CD 3.41Å; P60-K140 WeakPolarHBondContact O-CE 3.43Å; P60-K140 WeakPolarHBondContact O-CG 3.38Å
61N96.6Very high89Confident16 Ų1650.6 Ų50.69%0.08626%0.255CS..THydrogen-bonded Turntrans-91.823.6178.9-53.6105000113.9H59 Q108 V139 K140 L141H59-N61 VanDerWaalsContact C-N 3.26Å; H59-N61 PolarHBondContact ND1-N 3.02Å; H59-N61 PolarHBondContact O-N 3.38Å; N61-Q108 VanDerWaalsContact CB-O 3.24Å; N61-Q108 WeakPolarHBondContact CB-O 3.41Å; N61-Q108 WeakPolarHBondContact ND2-CB 3.44Å; N61-Q108 WeakPolarHBondContact ND2-CG 3.16Å; N61-Q108 PolarHBondContact ND2-OE1 2.9Å; N61-V139 PolarHBondContact ND2-O 3.49Å; N61-K140 WeakPolarHBondContact O-CA 3.12Å; N61-L141 WeakPolarHBondContact O-CG 3.37Å; N61-L141 PolarHBondContact O-N 3.39Å
62I94.4Very high89.5Confident0 Ų057.1 Ų57.10%029%0.29CS..BIsolated β-bridgetrans-126.2137.9171.3-67.2-178.8000108.1L57 H59 P60 K64 F115 M116 L141 F144L57-I62 HydrophobicContact CB-CD1 4.36Å; L57-I62 HydrophobicContact CB-CG2 4.23Å; L57-I62 HydrophobicContact CD2-CD1 4.17Å; L57-I62 WeakPolarHBondContact O-CG2 3.21Å; H59-I62 HydrophobicContact CB-CB 4.09Å; H59-I62 HydrophobicContact CB-CD1 3.85Å; H59-I62 HydrophobicContact CB-CG1 3.93Å; H59-I62 PolarHBondContact O-N 3.38Å; P60-I62 VanDerWaalsContact C-N 3.32Å; P60-I62 PolarHBondContact O-N 2.79Å; I62-K64 PolarHBondContact O-N 2.75Å; I62-F115 HydrophobicContact CD1-CD1 3.9Å; I62-M116 HydrophobicContact CD1-CB 4.43Å; I62-M116 HydrophobicContact CD1-CE 4.26Å; I62-L141 HydrophobicContact CG1-CB 4.42Å; I62-L141 HydrophobicContact CG1-CD1 4.34Å; I62-F144 HydrophobicContact CG2-CE2 3.74Å; I62-F144 HydrophobicContact CG2-CZ 3.77Å
63V92Very high90Very high6 Ų655.2 Ų55.24%0.03629%0.285CS..PPolyproline II helixtrans-64.3119.4177.970.20000110.4L65 F79 D80 L132 L141 A142 F144V63-L65 PolarHBondContact O-N 3.08Å; V63-F79 HydrophobicContact CG1-CD1 4.19Å; V63-F79 HydrophobicContact CG1-CE1 4.46Å; V63-F79 HydrophobicContact CG2-CB 4.05Å; V63-F79 HydrophobicContact CG2-CD1 4.13Å; V63-F79 HydrophobicContact CG2-CG 4.43Å; V63-D80 HydrophobicContact CG2-CB 4.39Å; V63-L132 HydrophobicContact CB-CD1 4.45Å; V63-L132 HydrophobicContact CG2-CD1 4.09Å; V63-L141 WeakPolarHBondContact CG1-O 3.4Å; V63-L141 PolarHBondContact N-O 2.91Å; V63-A142 HydrophobicContact CB-CB 4.23Å; V63-A142 HydrophobicContact CG1-CB 3.77Å; V63-F144 HydrophobicContact CG1-CE2 4Å; V63-F144 HydrophobicContact CG1-CZ 4.49Å
64K90.4Very high90.7Very high115 Ų11558.6 Ų58.650%0.530%0.298SS..PPolyproline II helixtrans-75.5120.5-175.2-175.1175.3-179.3179.90110.3I62 R66 F79 D80I62-K64 PolarHBondContact O-N 2.75Å; K64-R66 PolarHBondContact O-N 2.75Å; K64-F79 WeakPolarHBondContact O-CA 3.43Å; K64-D80 PolarHBondContact O-N 2.89Å
65L90.4Very high91.3Very high27 Ų2758.3 Ų58.314%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-68.6116.6159.9-179.866.1000107.6L54 V63 E67 I68 L77 F79L54-L65 HydrophobicContact CB-CB 4.02Å; L54-L65 HydrophobicContact CB-CD2 3.67Å; L54-L65 HydrophobicContact CB-CG 4.47Å; L54-L65 HydrophobicContact CD1-CB 4.36Å; L54-L65 HydrophobicContact CD1-CD2 4.13Å; L54-L65 HydrophobicContact CD2-CB 4.14Å; L54-L65 HydrophobicContact CG-CB 4.42Å; L54-L65 HydrophobicContact CG-CD2 4.49Å; V63-L65 PolarHBondContact O-N 3.08Å; L65-E67 WeakPolarHBondContact CD1-O 3.44Å; L65-I68 HydrophobicContact CD1-CG1 4.46Å; L65-I68 HydrophobicContact CD2-CD1 4.1Å; L65-I68 HydrophobicContact CD2-CG1 3.98Å; L65-I68 HydrophobicContact CG-CG1 4.49Å; L65-L77 HydrophobicContact CD1-CB 3.91Å; L65-L77 HydrophobicContact CD1-CD2 4.27Å; L65-F79 HydrophobicContact CB-CD1 4.28Å; L65-F79 HydrophobicContact CB-CE1 3.97Å; L65-F79 HydrophobicContact CD1-CD1 4.32Å; L65-F79 HydrophobicContact CD1-CE1 3.88Å; L65-F79 HydrophobicContact CD1-CE2 4.44Å; L65-F79 HydrophobicContact CD1-CZ 3.96Å
66R90.6Very high91.8Very high93 Ų9355.5 Ų55.535%0.35127%0.272SS..EExtended strand (participates in β ladder)trans-88.6-45.6-179-63.2178.5166.2-137.2-4.5111.6E28 K64 I78 D80E28-R66 IonicContact OE1-CZ 2.7Å; E28-R66 IonicContact OE1-NH1 3.23Å; E28-R66 PolarHBondContact OE1-NH1 2.87Å; E28-R66 VanDerWaalsContact OE1-NH1 3.11Å; E28-R66 IonicContact OE1-NH2 3.83Å; E28-R66 PolarHBondContact OE1-NH2 2.86Å; E28-R66 IonicContact OE2-CZ 3.4Å; E28-R66 IonicContact OE2-NH1 2.71Å; E28-R66 PolarHBondContact OE2-NH1 2.84Å; E28-R66 IonicContact OE2-NH2 2.74Å; K64-R66 PolarHBondContact O-N 2.75Å; R66-I78 HydrophobicContact CB-CG2 4.45Å; R66-I78 WeakPolarHBondContact CB-O 3.46Å; R66-I78 PolarHBondContact N-O 2.65Å; R66-D80 IonicContact CZ-OD1 3.71Å; R66-D80 VanDerWaalsContact CZ-OD1 3.24Å; R66-D80 IonicContact NE-OD1 3.84Å; R66-D80 PolarHBondContact NE-OD1 2.92Å; R66-D80 IonicContact NH2-OD1 3.11Å; R66-D80 PolarHBondContact NH2-OD1 2.83Å
67E91.1Very high92.2Very high65 Ų6549.5 Ų49.530%0.30425%0.246SC..EExtended strand (participates in β ladder)trans-154.3154.9-170.7-162.8178.4142.500110.5R3 Y4 L65 V69 I78R3-E67 IonicContact CZ-OE1 2.72Å; R3-E67 IonicContact CZ-OE2 3.98Å; R3-E67 IonicContact NH1-OE2 2.7Å; R3-E67 IonicContact NH2-OE1 2.88Å; R3-E67 PolarHBondContact NH2-OE1 3.01Å; R3-E67 IonicContact NH2-OE2 2.71Å; R3-E67 PolarHBondContact NH2-OE2 2.81Å; Y4-E67 PolarHBondContact OH-OE2 3.01Å; L65-E67 WeakPolarHBondContact CD1-O 3.44Å; E67-V69 HydrophobicContact CG-CG2 4.24Å; E67-V69 VanDerWaalsContact OE1-CG2 3.28Å; E67-V69 WeakPolarHBondContact OE1-CG2 3.36Å; E67-I78 HydrophobicContact CB-CB 4.15Å; E67-I78 HydrophobicContact CB-CD1 4.4Å; E67-I78 PolarHBondContact N-O 2.87Å; E67-I78 PolarHBondContact O-N 2.88Å
68I92Very high92.5Very high31 Ų3149.4 Ų49.416%0.15925%0.246CC..EExtended strand (participates in β ladder)trans-119.9131.3171.7-56.9175.9000106.3W42 L46 V51 L65 L75 L77W42-I68 HydrophobicContact CH2-CB 4.05Å; W42-I68 HydrophobicContact CH2-CG2 3.79Å; W42-I68 WeakPolarHBondContact CH2-O 3.38Å; W42-I68 HydrophobicContact CZ2-CG2 4.48Å; W42-I68 HydrophobicContact CZ3-CG2 4.2Å; L46-I68 HydrophobicContact CD2-CD1 4.28Å; V51-I68 HydrophobicContact CB-CD1 4.48Å; V51-I68 HydrophobicContact CG1-CD1 3.51Å; V51-I68 HydrophobicContact CG2-CD1 4.16Å; L65-I68 HydrophobicContact CD1-CG1 4.46Å; L65-I68 HydrophobicContact CD2-CD1 4.1Å; L65-I68 HydrophobicContact CD2-CG1 3.98Å; L65-I68 HydrophobicContact CG-CG1 4.49Å; I68-L75 HydrophobicContact CG2-CD1 3.44Å; I68-L75 VanDerWaalsContact CG2-CD1 3.44Å; I68-L77 HydrophobicContact CG1-CD2 4.03Å; I68-L77 HydrophobicContact CG2-CD2 4.13Å
69V93.3Very high92.6Very high23 Ų2345.9 Ų45.914%0.13922%0.22CC..EExtended strand (participates in β ladder)trans-127.4132.6176.8174.80000109E67 E71 Y76 I78E67-V69 HydrophobicContact CG-CG2 4.24Å; E67-V69 VanDerWaalsContact OE1-CG2 3.28Å; E67-V69 WeakPolarHBondContact OE1-CG2 3.36Å; V69-E71 HydrophobicContact CG1-CB 4.5Å; V69-Y76 PolarHBondContact N-O 2.93Å; V69-Y76 PolarHBondContact O-N 2.95Å; V69-I78 HydrophobicContact CB-CD1 4.11Å; V69-I78 HydrophobicContact CG2-CD1 3.78Å
70R93.2Very high92.4Very high85 Ų8545 Ų4532%0.32122%0.216SC..EExtended strand (participates in β ladder)trans-117.6122.2172.9-167.4-168.882.991.31.2109F39 Y40 W42 C45 N73 Y74F39-R70 PolarHBondContact O-NH1 2.97Å; Y40-R70 PolarHBondContact O-NH1 2.85Å; Y40-R70 VanDerWaalsContact O-NH1 3.12Å; W42-R70 HydrophobicContact CE3-CB 3.74Å; W42-R70 HydrophobicContact CZ3-CB 3.61Å; C45-R70 VanDerWaalsContact SG-CD 3.57Å; R70-N73 PolarHBondContact NH1-OD1 3.44Å; R70-Y74 WeakPolarHBondContact CA-O 3.24Å
71E92.9Very high92.2Very high55 Ų5541.7 Ų41.726%0.25720%0.197SC..EExtended strand (participates in β ladder)trans-149130.4-173.1-177.3172.6-131.400109.5M1 V69 N73 Y74 Y76M1-E71 WeakPolarHBondContact CA-OE2 3.26Å; M1-E71 WeakPolarHBondContact CB-OE2 3.24Å; M1-E71 WeakPolarHBondContact CG-OE2 3.15Å; M1-E71 PolarHBondContact N-OE1 3.48Å; M1-E71 PolarHBondContact N-OE2 2.66Å; V69-E71 HydrophobicContact CG1-CB 4.5Å; E71-N73 PolarHBondContact O-N 2.81Å; E71-N73 VanDerWaalsContact O-N 3.16Å; E71-Y74 PolarHBondContact N-O 3.1Å; E71-Y74 PolarHBondContact O-N 2.83Å; E71-Y76 HydrophobicContact CB-CE2 4.23Å
72N92.2Very high91.9Very high142 Ų14241.6 Ų41.676%0.75920%0.196SC*.THydrogen-bonded Turntrans50.239.9-177.5-59-24000113.3Y74N72-Y74 WeakPolarHBondContact O-CD2 3.43Å; N72-Y74 PolarHBondContact O-N 3.01Å
73N92.1Very high91.5Very high58 Ų5845.9 Ų45.931%0.3122%0.216SC..THydrogen-bonded Turntrans58.813.7-173.4-56.3-35000115.6K38 F39 Y40 R70 E71K38-N73 CarbonylContact C-O 3.46Å; K38-N73 WeakPolarHBondContact CA-O 3.47Å; K38-N73 HydrophobicContact CB-CB 4.42Å; K38-N73 WeakPolarHBondContact CB-O 3.48Å; F39-N73 PolarHBondContact N-O 3.42Å; F39-N73 WeakPolarHBondContact O-CA 3.44Å; Y40-N73 HydrophobicContact CD1-CB 4.22Å; Y40-N73 HydrophobicContact CE1-CB 4.29Å; R70-N73 PolarHBondContact NH1-OD1 3.44Å; E71-N73 PolarHBondContact O-N 2.81Å; E71-N73 VanDerWaalsContact O-N 3.16Å
74Y92Very high91.2Very high73 Ų7347.5 Ų47.529%0.28623%0.225SC..EExtended strand (participates in β ladder)trans-94.2144.3165.5-67.8-78.4000110.7K38 R70 E71 N72K38-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 WeakPolarHBondContact CA-O 3.24Å; E71-Y74 PolarHBondContact N-O 3.1Å; E71-Y74 PolarHBondContact O-N 2.83Å; N72-Y74 WeakPolarHBondContact O-CD2 3.43Å; N72-Y74 PolarHBondContact O-N 3.01Å
75L91.9Very high91.2Very high0 Ų042 Ų420%020%0.201CC..EExtended strand (participates in β ladder)trans-101.4134.5172.7-177.460.3000110M35 F39 C45 L48 I68 L77M35-L75 HydrophobicContact CB-CB 4.22Å; M35-L75 HydrophobicContact CG-CB 4.05Å; M35-L75 HydrophobicContact CG-CD2 4.23Å; M35-L75 HydrophobicContact CG-CG 4.18Å; M35-L75 PolarHBondContact N-O 2.73Å; F39-L75 HydrophobicContact CD2-CB 3.51Å; F39-L75 HydrophobicContact CD2-CD2 4.09Å; F39-L75 HydrophobicContact CD2-CG 4.46Å; F39-L75 HydrophobicContact CE2-CB 4Å; F39-L75 HydrophobicContact CE2-CD2 4.11Å; F39-L75 HydrophobicContact CG-CB 4.21Å; F39-L75 HydrophobicContact CG-CD2 4.4Å; F39-L75 HydrophobicContact CZ-CD2 4.46Å; C45-L75 HydrophobicContact CB-CD1 3.9Å; C45-L75 HydrophobicContact CB-CD2 4.01Å; L48-L75 HydrophobicContact CD1-CD2 3.37Å; I68-L75 HydrophobicContact CG2-CD1 3.44Å; I68-L75 VanDerWaalsContact CG2-CD1 3.44Å; L75-L77 HydrophobicContact CD2-CD2 4.49Å; L75-L77 HydrophobicContact CG-CD2 4.37Å
76Y93Very high91.3Very high28 Ų2840.7 Ų40.711%0.1119%0.194CC..EExtended strand (participates in β ladder)trans-123.7128.3177.9-58.6-102.1000108.4M1 I32 K33 K34 V69 E71M1-Y76 HydrophobicContact CE-CD1 4.24Å; M1-Y76 HydrophobicContact CE-CE1 4.28Å; M1-Y76 HydrophobicContact CG-CD1 4.32Å; M1-Y76 HydrophobicContact CG-CE1 4.16Å; M1-Y76 HydrophobicContact CG-CE2 4.4Å; M1-Y76 HydrophobicContact CG-CG 4.5Å; M1-Y76 HydrophobicContact SD-CD1 3.86Å; M1-Y76 HydrophobicContact SD-CE1 4.19Å; M1-Y76 HydrophobicContact SD-CG 4.13Å; I32-Y76 HydrophobicContact CG2-CD1 3.87Å; I32-Y76 HydrophobicContact CG2-CG 4.46Å; K33-Y76 WeakPolarHBondContact O-CA 3.31Å; K34-Y76 HydrophobicContact CB-CD1 3.82Å; K34-Y76 HydrophobicContact CB-CE1 3.84Å; K34-Y76 HydrophobicContact CD-CE1 3.7Å; K34-Y76 HydrophobicContact CG-CD1 3.95Å; K34-Y76 HydrophobicContact CG-CE1 3.59Å; V69-Y76 PolarHBondContact N-O 2.93Å; V69-Y76 PolarHBondContact O-N 2.95Å; E71-Y76 HydrophobicContact CB-CE2 4.23Å
77L91.2Very high91.2Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-108.8121.8174.3-56.9178.8000108.4I32 K33 M35 E50 V51 L65 I68 L75 F79I32-L77 WeakPolarHBondContact CA-O 3.16Å; K33-L77 HydrophobicContact CB-CB 4.36Å; K33-L77 PolarHBondContact N-O 2.91Å; K33-L77 PolarHBondContact O-N 2.68Å; M35-L77 HydrophobicContact SD-CD1 4.26Å; E50-L77 HydrophobicContact CG-CD1 4.49Å; V51-L77 HydrophobicContact CG2-CD2 3.94Å; L65-L77 HydrophobicContact CD1-CB 3.91Å; L65-L77 HydrophobicContact CD1-CD2 4.27Å; I68-L77 HydrophobicContact CG1-CD2 4.03Å; I68-L77 HydrophobicContact CG2-CD2 4.13Å; L75-L77 HydrophobicContact CD2-CD2 4.49Å; L75-L77 HydrophobicContact CG-CD2 4.37Å; L77-F79 HydrophobicContact CB-CD2 4.4Å; L77-F79 HydrophobicContact CB-CE2 3.52Å; L77-F79 HydrophobicContact CB-CZ 3.89Å; L77-F79 HydrophobicContact CD1-CZ 4.39Å; L77-F79 WeakPolarHBondContact O-CD2 2.91Å
78I93.2Very high91Very high1 Ų135 Ų351%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-105.4125.1-173.1-6274000109Y4 V30 I32 R66 E67 V69Y4-I78 HydrophobicContact CE1-CG2 4.15Å; Y4-I78 HydrophobicContact CE2-CG1 4.15Å; V30-I78 HydrophobicContact CB-CG2 4Å; V30-I78 HydrophobicContact CG1-CG2 4.24Å; V30-I78 HydrophobicContact CG2-CG2 4.22Å; I32-I78 HydrophobicContact CD1-CG1 4.49Å; I32-I78 HydrophobicContact CG1-CG1 4.2Å; I32-I78 HydrophobicContact CG2-CG1 4.32Å; R66-I78 HydrophobicContact CB-CG2 4.45Å; R66-I78 WeakPolarHBondContact CB-O 3.46Å; R66-I78 PolarHBondContact N-O 2.65Å; E67-I78 HydrophobicContact CB-CB 4.15Å; E67-I78 HydrophobicContact CB-CD1 4.4Å; E67-I78 PolarHBondContact N-O 2.87Å; E67-I78 PolarHBondContact O-N 2.88Å; V69-I78 HydrophobicContact CB-CD1 4.11Å; V69-I78 HydrophobicContact CG2-CD1 3.78Å
79F92.6Very high90.9Very high13 Ų1334.6 Ų34.66%0.05717%0.169CC..EExtended strand (participates in β ladder)trans-123.9163.3-174.5-62-86000112.5V30 A31 K33 L54 V63 K64 L65 L77 A81V30-F79 WeakPolarHBondContact CA-O 3.49Å; V30-F79 WeakPolarHBondContact CB-O 3.42Å; A31-F79 HydrophobicContact CB-CB 4.42Å; A31-F79 PolarHBondContact N-O 2.69Å; A31-F79 PolarHBondContact O-N 2.88Å; K33-F79 HydrophobicContact CB-CE2 4Å; K33-F79 HydrophobicContact CD-CE2 4.4Å; L54-F79 HydrophobicContact CD1-CE1 3.67Å; L54-F79 HydrophobicContact CD1-CZ 3.65Å; L54-F79 HydrophobicContact CD2-CE1 3.84Å; L54-F79 HydrophobicContact CG-CE1 4.43Å; V63-F79 HydrophobicContact CG1-CD1 4.19Å; V63-F79 HydrophobicContact CG1-CE1 4.46Å; V63-F79 HydrophobicContact CG2-CB 4.05Å; V63-F79 HydrophobicContact CG2-CD1 4.13Å; V63-F79 HydrophobicContact CG2-CG 4.43Å; K64-F79 WeakPolarHBondContact O-CA 3.43Å; L65-F79 HydrophobicContact CB-CD1 4.28Å; L65-F79 HydrophobicContact CB-CE1 3.97Å; L65-F79 HydrophobicContact CD1-CD1 4.32Å; L65-F79 HydrophobicContact CD1-CE1 3.88Å; L65-F79 HydrophobicContact CD1-CE2 4.44Å; L65-F79 HydrophobicContact CD1-CZ 3.96Å; L77-F79 HydrophobicContact CB-CD2 4.4Å; L77-F79 HydrophobicContact CB-CE2 3.52Å; L77-F79 HydrophobicContact CB-CZ 3.89Å; L77-F79 HydrophobicContact CD1-CZ 4.39Å; L77-F79 WeakPolarHBondContact O-CD2 2.91Å; F79-A81 PolarHBondContact O-N 2.96Å
80D91.2Very high90.8Very high19 Ų1933.8 Ų33.810%0.10216%0.164CC..EExtended strand (participates in β ladder)trans-47.8130.8157.2-67.2-16.2000110.2V63 K64 R66 L82 K140V63-D80 HydrophobicContact CG2-CB 4.39Å; K64-D80 PolarHBondContact O-N 2.89Å; R66-D80 IonicContact CZ-OD1 3.71Å; R66-D80 VanDerWaalsContact CZ-OD1 3.24Å; R66-D80 IonicContact NE-OD1 3.84Å; R66-D80 PolarHBondContact NE-OD1 2.92Å; R66-D80 IonicContact NH2-OD1 3.11Å; R66-D80 PolarHBondContact NH2-OD1 2.83Å; D80-L82 HydrophobicContact CB-CD1 4.09Å; D80-K140 IonicContact OD2-NZ 2.72Å; D80-K140 PolarHBondContact OD2-NZ 3.01Å
81A90.5Very high90.4Very high26 Ų2635.2 Ų35.222%0.21517%0.172CC..  trans-83.3130.9163.200000109.8L20 K29 F79L20-A81 HydrophobicContact CD1-CB 3.86Å; K29-A81 HydrophobicContact CB-CB 3.79Å; K29-A81 WeakPolarHBondContact O-CB 3.49Å; F79-A81 PolarHBondContact O-N 2.96Å
82L89.9Confident90.2Very high13 Ų1337.4 Ų37.47%0.06819%0.189CC..  trans-110.8156164.6-74.191.3000109.4D80 L132 N134 T138 K140D80-L82 HydrophobicContact CB-CD1 4.09Å; L82-L132 HydrophobicContact CB-CB 4.05Å; L82-L132 HydrophobicContact CB-CD1 4.46Å; L82-L132 HydrophobicContact CB-CD2 4.39Å; L82-L132 HydrophobicContact CD1-CB 4.22Å; L82-L132 HydrophobicContact CD1-CD1 4.06Å; L82-L132 HydrophobicContact CD2-CB 4.11Å; L82-L132 HydrophobicContact CG-CB 4.34Å; L82-N134 WeakPolarHBondContact CA-OD1 2.98Å; L82-N134 VanDerWaalsContact CB-OD1 3.26Å; L82-N134 WeakPolarHBondContact CB-OD1 3.28Å; L82-T138 HydrophobicContact CD2-CG2 4.36Å; L82-K140 HydrophobicContact CD1-CD 4.08Å; L82-K140 HydrophobicContact CD2-CB 4.44Å; L82-K140 HydrophobicContact CD2-CD 4.27Å; L82-K140 HydrophobicContact CD2-CG 4.03Å
83E85.4Confident90.1Very high91 Ų9135.1 Ų35.143%0.42517%0.17SC..SBendtrans-76.8-38.7-168.9-58.8-152.6124.400112.3K29 N134 S625 A626K29-E83 IonicContact NZ-OE1 2.81Å; K29-E83 PolarHBondContact NZ-OE1 2.69Å; E83-N134 PolarHBondContact N-OD1 2.8Å; E83-S625 CarbonylContact O-C 3.59Å; E83-S625 WeakPolarHBondContact O-CA 3.32Å; E83-S625 WeakPolarHBondContact O-CB 3.35Å; E83-A626 PolarHBondContact O-N 2.57Å
84N86Confident89.9Confident39 Ų3939.3 Ų39.321%0.20920%0.198CC..EExtended strand (participates in β ladder)trans-138.7-176.6-179.2-70.3108.3000111.5E88 L132 C133 T624N84-E88 WeakPolarHBondContact CA-OE2 3.37Å; N84-E88 HydrophobicContact CB-CB 4.2Å; N84-E88 PolarHBondContact ND2-OE2 3.21Å; N84-L132 WeakPolarHBondContact O-CD2 3.45Å; N84-C133 PolarHBondContact N-O 2.93Å; N84-C133 PolarHBondContact O-N 3.34Å; N84-T624 PolarHBondContact ND2-O 3.06Å
85N89.9Confident89.8Confident0 Ų045.6 Ų45.60%022%0.221CC..EExtended strand (participates in β ladder)trans-118.9167.9158.260.610.3000110.6Y87 E88 L89 E129 L131 L132 S628 F629N85-Y87 PolarHBondContact O-N 2.73Å; N85-E88 PolarHBondContact O-N 3.43Å; N85-E88 WeakPolarHBondContact OD1-CB 3.33Å; N85-E88 VanDerWaalsContact OD1-CG 3.31Å; N85-E88 WeakPolarHBondContact OD1-CG 3.44Å; N85-E88 PolarHBondContact OD1-N 3.45Å; N85-L89 PolarHBondContact O-N 3.38Å; N85-E129 WeakPolarHBondContact CB-O 3.09Å; N85-E129 WeakPolarHBondContact ND2-CA 3.47Å; N85-E129 PolarHBondContact ND2-O 2.84Å; N85-L131 CarbonylContact C-O 3.36Å; N85-L131 WeakPolarHBondContact CA-O 3.43Å; N85-L131 WeakPolarHBondContact CB-O 3.29Å; N85-L132 HydrophobicContact CB-CD2 4.48Å; N85-S628 PolarHBondContact ND2-OG 3.07Å; N85-S628 PolarHBondContact OD1-OG 3.3Å; N85-S628 VanDerWaalsContact OD1-OG 3.11Å; N85-F629 HydrophobicContact CB-CB 4.43Å; N85-F629 VanDerWaalsContact ND2-CA 3.35Å; N85-F629 WeakPolarHBondContact ND2-CA 3.32Å; N85-F629 WeakPolarHBondContact ND2-CB 3.48Å; N85-F629 PolarHBondContact ND2-N 2.9Å; N85-F629 VanDerWaalsContact ND2-N 3.2Å
86L92.8Very high89.9Confident0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-60.1-32.2-177-165.564.7000112L89 I90 I105 P128 L131 I189 L193L86-L89 HydrophobicContact CD1-CD2 4.15Å; L86-L89 PolarHBondContact O-N 3.21Å; L86-I90 HydrophobicContact CG-CD1 4.27Å; L86-I90 WeakPolarHBondContact O-CB 3.32Å; L86-I90 WeakPolarHBondContact O-CD1 3.34Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.01Å; L86-I105 HydrophobicContact CD1-CD1 4.13Å; L86-I105 HydrophobicContact CD1-CG2 3.96Å; L86-I105 HydrophobicContact CD2-CG2 3.96Å; L86-P128 HydrophobicContact CB-CB 4.34Å; L86-P128 PolarHBondContact N-O 3.15Å; L86-L131 HydrophobicContact CB-CB 3.84Å; L86-L131 HydrophobicContact CD2-CB 4.28Å; L86-L131 HydrophobicContact CD2-CD1 3.59Å; L86-L131 PolarHBondContact N-O 3.25Å; L86-I189 HydrophobicContact CD2-CG2 3.9Å; L86-L193 HydrophobicContact CD1-CD2 3.91Å; L86-L193 HydrophobicContact CD2-CD1 4.28Å; L86-L193 HydrophobicContact CD2-CD2 4.05Å; L86-L193 HydrophobicContact CD2-CG 4.44Å; L86-L193 HydrophobicContact CG-CD2 4.02Å
87Y88.6Confident89.9Confident15 Ų1548.4 Ų48.46%0.05924%0.237CC..Hα-helixtrans-59.4-47.8171.4176.9-106000113.8N85 L89 I90 K91 P128 E129 Y636N85-Y87 PolarHBondContact O-N 2.73Å; Y87-L89 VanDerWaalsContact C-N 3.34Å; Y87-I90 PolarHBondContact O-N 3.01Å; Y87-K91 HydrophobicContact CE1-CD 4.14Å; Y87-K91 HydrophobicContact CE2-CD 3.99Å; Y87-K91 WeakPolarHBondContact O-CB 3.44Å; Y87-K91 PolarHBondContact O-N 2.81Å; Y87-K91 PolarHBondContact OH-NZ 2.7Å; Y87-P128 PolarHBondContact N-O 3.47Å; Y87-E129 HydrophobicContact CD1-CG 4.16Å; Y87-E129 HydrophobicContact CD2-CG 4.27Å; Y87-E129 HydrophobicContact CG-CG 3.91Å; Y87-Y636 AromaticContact CE2-CE2 3.66Å; Y87-Y636 HydrophobicContact CE2-CE2 3.66Å; Y87-Y636 AromaticContact CE2-CZ 3.97Å; Y87-Y636 WeakPolarHBondContact CE2-OH 3.39Å; Y87-Y636 AromaticContact CZ-CE2 3.9Å; Y87-Y636 WeakPolarHBondContact OH-CE2 3.42Å
88E87Confident90.1Very high24 Ų2455.6 Ų55.611%0.11227%0.27CS..Hα-helixtrans-64.1-39.7172.4-78.9160-165.200111.2N84 N85 I90 K91 T92 A626 A627 S628N84-E88 WeakPolarHBondContact CA-OE2 3.37Å; N84-E88 HydrophobicContact CB-CB 4.2Å; N84-E88 PolarHBondContact ND2-OE2 3.21Å; N85-E88 PolarHBondContact O-N 3.43Å; N85-E88 WeakPolarHBondContact OD1-CB 3.33Å; N85-E88 VanDerWaalsContact OD1-CG 3.31Å; N85-E88 WeakPolarHBondContact OD1-CG 3.44Å; N85-E88 PolarHBondContact OD1-N 3.45Å; E88-I90 VanDerWaalsContact C-N 3.34Å; E88-I90 PolarHBondContact O-N 3.28Å; E88-K91 PolarHBondContact O-N 3.45Å; E88-T92 WeakPolarHBondContact O-CB 3.42Å; E88-T92 VanDerWaalsContact O-CG2 3.31Å; E88-T92 WeakPolarHBondContact O-CG2 3.26Å; E88-T92 PolarHBondContact O-N 3.42Å; E88-T92 PolarHBondContact O-OG1 2.8Å; E88-A626 WeakPolarHBondContact OE2-CA 3.46Å; E88-A626 PolarHBondContact OE2-N 3.15Å; E88-A627 PolarHBondContact OE1-N 2.94Å; E88-S628 VanDerWaalsContact CD-OG 3.23Å; E88-S628 WeakPolarHBondContact CG-OG 3.41Å; E88-S628 WeakPolarHBondContact OE1-CA 3.37Å; E88-S628 WeakPolarHBondContact OE1-CB 3.25Å; E88-S628 PolarHBondContact OE1-N 3.43Å; E88-S628 PolarHBondContact OE1-OG 3.46Å
89L90.6Very high90.1Very high21 Ų2157.7 Ų57.711%0.1128%0.28CS..Hα-helixtrans-66.4-32.7179.1-162.473.1000112.9N85 L86 Y87 R93 F97N85-L89 PolarHBondContact O-N 3.38Å; L86-L89 HydrophobicContact CD1-CD2 4.15Å; L86-L89 PolarHBondContact O-N 3.21Å; Y87-L89 VanDerWaalsContact C-N 3.34Å; L89-R93 WeakPolarHBondContact O-CD 3.32Å; L89-R93 WeakPolarHBondContact O-CG 3.4Å; L89-F97 HydrophobicContact CD2-CE1 4.16Å; L89-F97 HydrophobicContact CD2-CZ 3.89Å; L89-F97 HydrophobicContact CG-CE1 4.37Å; L89-F97 HydrophobicContact CG-CZ 3.95Å
90I90.3Very high90.3Very high7 Ų760.8 Ų60.84%0.03630%0.295CS..Hα-helixtrans-69.9-54.3170.1-70.8159.3000109.6L86 Y87 E88 T92 R93 F97 P128 E192 L193 F196L86-I90 HydrophobicContact CG-CD1 4.27Å; L86-I90 WeakPolarHBondContact O-CB 3.32Å; L86-I90 WeakPolarHBondContact O-CD1 3.34Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.01Å; Y87-I90 PolarHBondContact O-N 3.01Å; E88-I90 VanDerWaalsContact C-N 3.34Å; E88-I90 PolarHBondContact O-N 3.28Å; I90-T92 VanDerWaalsContact C-N 3.34Å; I90-T92 PolarHBondContact O-N 2.94Å; I90-R93 PolarHBondContact O-N 3.19Å; I90-F97 HydrophobicContact CG1-CE2 4.16Å; I90-P128 HydrophobicContact CD1-CB 4.33Å; I90-E192 HydrophobicContact CD1-CG 4.32Å; I90-L193 HydrophobicContact CD1-CD2 3.91Å; I90-L193 HydrophobicContact CG1-CD2 3.96Å; I90-F196 HydrophobicContact CG2-CB 4.03Å; I90-F196 HydrophobicContact CG2-CD1 3.85Å; I90-F196 HydrophobicContact CG2-CE1 4.44Å; I90-F196 HydrophobicContact CG2-CG 3.9Å
91K86.2Confident90.5Very high115 Ų11561.2 Ų61.250%0.530%0.299SS..Hα-helixtrans-67.9-24.2-172-79.6-162.3166.9-176.40116.1Y87 E88 Y636Y87-K91 HydrophobicContact CE1-CD 4.14Å; Y87-K91 HydrophobicContact CE2-CD 3.99Å; Y87-K91 WeakPolarHBondContact O-CB 3.44Å; Y87-K91 PolarHBondContact O-N 2.81Å; Y87-K91 PolarHBondContact OH-NZ 2.7Å; E88-K91 PolarHBondContact O-N 3.45Å; K91-Y636 WeakPolarHBondContact CE-OH 3.4Å; K91-Y636 PolarHBondContact NZ-OH 2.92Å
92T87.5Confident90.9Very high100 Ų10060 Ų6061%0.61329%0.288SS*.THydrogen-bonded Turntrans-86-7.2-179.550.30000113.6E88 I90E88-T92 WeakPolarHBondContact O-CB 3.42Å; E88-T92 VanDerWaalsContact O-CG2 3.31Å; E88-T92 WeakPolarHBondContact O-CG2 3.26Å; E88-T92 PolarHBondContact O-N 3.42Å; E88-T92 PolarHBondContact O-OG1 2.8Å; I90-T92 VanDerWaalsContact C-N 3.34Å; I90-T92 PolarHBondContact O-N 2.94Å
93R89.6Confident91.2Very high95 Ų9560.1 Ų60.136%0.35829%0.288SS..  trans-96.8134.1-174.6-73178.16897.4-2.6113L89 I90 R95 L96 F97 F196L89-R93 WeakPolarHBondContact O-CD 3.32Å; L89-R93 WeakPolarHBondContact O-CG 3.4Å; I90-R93 PolarHBondContact O-N 3.19Å; R93-R95 PolarHBondContact NE-O 2.86Å; R93-R95 PolarHBondContact NH2-O 2.87Å; R93-L96 PolarHBondContact NH2-O 3.29Å; R93-L96 VanDerWaalsContact NH2-O 3.12Å; R93-F97 VanDerWaalsContact CD-CE1 3.43Å; R93-F97 VanDerWaalsContact CD-CZ 3.48Å; R93-F196 HydrophobicContact CB-CE2 3.7Å; R93-F196 HydrophobicContact CB-CZ 3.92Å
94T87.8Confident91.8Very high145 Ų14557.6 Ų57.689%0.8928%0.277SS*.SBendtrans-87.7-12.4170.356.60000113.5
95R91.6Very high92.4Very high205 Ų20555.7 Ų55.777%0.77427%0.267SS*.SBendtrans-125.9137.8178.2-64.6-176.8-179.1176.20.5110.4R93 F196R93-R95 PolarHBondContact NE-O 2.86Å; R93-R95 PolarHBondContact NH2-O 2.87Å; R95-F196 WeakPolarHBondContact O-CZ 3.48Å
96L92.8Very high92.8Very high71 Ų7155.7 Ų55.737%0.37227%0.267SS..PPolyproline II helixtrans-53.1162.1172.2-61.3177.8000111.5R93 F196 N252R93-L96 PolarHBondContact NH2-O 3.29Å; R93-L96 VanDerWaalsContact NH2-O 3.12Å; L96-F196 HydrophobicContact CD2-CB 4.37Å; L96-F196 HydrophobicContact CD2-CD1 3.8Å; L96-F196 HydrophobicContact CD2-CD2 3.88Å; L96-F196 HydrophobicContact CD2-CE1 4.02Å; L96-F196 HydrophobicContact CD2-CE2 4.1Å; L96-F196 HydrophobicContact CD2-CG 3.73Å; L96-F196 HydrophobicContact CD2-CZ 4.18Å; L96-N252 VanDerWaalsContact CD1-ND2 3.25Å; L96-N252 WeakPolarHBondContact CD1-ND2 3.5Å
97F93.5Very high93Very high16 Ų1656.8 Ų56.87%0.0727%0.271CS..PPolyproline II helixtrans-73.9151.3171.2-67.9-67.4000110.9L89 I90 R93 T101 I102 L193 F196L89-F97 HydrophobicContact CD2-CE1 4.16Å; L89-F97 HydrophobicContact CD2-CZ 3.89Å; L89-F97 HydrophobicContact CG-CE1 4.37Å; L89-F97 HydrophobicContact CG-CZ 3.95Å; I90-F97 HydrophobicContact CG1-CE2 4.16Å; R93-F97 VanDerWaalsContact CD-CE1 3.43Å; R93-F97 VanDerWaalsContact CD-CZ 3.48Å; F97-T101 HydrophobicContact CD1-CG2 3.75Å; F97-T101 HydrophobicContact CE1-CG2 4.38Å; F97-T101 HydrophobicContact CG-CG2 4.45Å; F97-I102 HydrophobicContact CB-CD1 3.97Å; F97-I102 HydrophobicContact CB-CG1 3.54Å; F97-I102 HydrophobicContact CD2-CG1 4.46Å; F97-I102 HydrophobicContact CG-CG1 4.33Å; F97-L193 HydrophobicContact CD2-CD2 3.88Å; F97-L193 HydrophobicContact CE2-CD2 3.58Å; F97-F196 AromaticContact CD2-CE1 3.62Å; F97-F196 HydrophobicContact CD2-CE1 3.62Å; F97-F196 HydrophobicContact CD2-CZ 4.14Å; F97-F196 AromaticContact CE2-CE1 3.68Å; F97-F196 HydrophobicContact CE2-CE1 3.68Å; F97-F196 HydrophobicContact CE2-CZ 4.1Å
98Q94.7Very high93.5Very high151 Ų15156.9 Ų56.971%0.70627%0.272SS*.PPolyproline II helixtrans-72.5152.4162.7-70.4176.6-23.600108.9E100 T101 I102Q98-E100 VanDerWaalsContact C-N 3.29Å; Q98-E100 PolarHBondContact O-N 3.03Å; Q98-T101 WeakPolarHBondContact O-CA 3.5Å; Q98-T101 VanDerWaalsContact O-CB 3.28Å; Q98-T101 WeakPolarHBondContact O-CB 3.46Å; Q98-T101 PolarHBondContact O-N 2.93Å; Q98-T101 PolarHBondContact O-OG1 2.81Å; Q98-I102 PolarHBondContact O-N 2.78Å
99E94.7Very high94Very high46 Ų4655.8 Ų55.822%0.21527%0.267CS..Hα-helixtrans-58.1-39.5-177.2-180168.189.900112.8T101 I102 R103 Y194 N254 Y283E99-T101 PolarHBondContact O-N 3.33Å; E99-I102 PolarHBondContact O-N 3.02Å; E99-I102 VanDerWaalsContact O-N 3.13Å; E99-R103 VanDerWaalsContact O-CB 3.27Å; E99-R103 WeakPolarHBondContact O-CB 3.32Å; E99-R103 PolarHBondContact O-N 3.37Å; E99-R103 IonicContact OE1-CZ 2.86Å; E99-R103 IonicContact OE1-NH1 3.6Å; E99-R103 IonicContact OE1-NH2 3.46Å; E99-R103 PolarHBondContact OE1-NH2 3.49Å; E99-Y194 HydrophobicContact CG-CE1 4.43Å; E99-Y194 WeakPolarHBondContact CG-OH 3.11Å; E99-Y194 PolarHBondContact OE2-OH 2.89Å; E99-N254 PolarHBondContact OE1-ND2 3.46Å; E99-N254 WeakPolarHBondContact OE2-CB 3.44Å; E99-N254 PolarHBondContact OE2-N 2.69Å; E99-Y283 HydrophobicContact CG-CE2 3.99Å
100E95.3Very high94.4Very high77 Ų7754.8 Ų54.836%0.3626%0.262SS..Hα-helixtrans-62.1-32.4177-164.662.3-154.200112.2Q98 R103 N104Q98-E100 VanDerWaalsContact C-N 3.29Å; Q98-E100 PolarHBondContact O-N 3.03Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 WeakPolarHBondContact OE2-CD 3.36Å; E100-R103 IonicContact OE2-CZ 3.69Å; E100-R103 IonicContact OE2-NE 3.63Å; E100-R103 IonicContact OE2-NH1 2.75Å; E100-R103 PolarHBondContact OE2-NH1 2.84Å; E100-N104 WeakPolarHBondContact O-CB 3.5Å; E100-N104 PolarHBondContact O-N 3.24Å
101T96.4Very high94.8Very high29 Ų2955.6 Ų55.618%0.17827%0.266CS..Hα-helixtrans-67.6-43.3174.6-39.70000111.3F97 Q98 E99 N104 I105 P136F97-T101 HydrophobicContact CD1-CG2 3.75Å; F97-T101 HydrophobicContact CE1-CG2 4.38Å; F97-T101 HydrophobicContact CG-CG2 4.45Å; Q98-T101 WeakPolarHBondContact O-CA 3.5Å; Q98-T101 VanDerWaalsContact O-CB 3.28Å; Q98-T101 WeakPolarHBondContact O-CB 3.46Å; Q98-T101 PolarHBondContact O-N 2.93Å; Q98-T101 PolarHBondContact O-OG1 2.81Å; E99-T101 PolarHBondContact O-N 3.33Å; T101-N104 PolarHBondContact O-N 3.12Å; T101-I105 HydrophobicContact CG2-CD1 4.23Å; T101-I105 WeakPolarHBondContact O-CD1 3.37Å; T101-I105 VanDerWaalsContact O-CG1 3.27Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 3Å; T101-P136 HydrophobicContact CG2-CB 3.32Å; T101-P136 HydrophobicContact CG2-CG 3.73Å
102I97.6Very high95.3Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-65.3-42.7175.9-58.2178.2000110.1F97 Q98 E99 N104 I105 I106 M190 L193 Y194F97-I102 HydrophobicContact CB-CD1 3.97Å; F97-I102 HydrophobicContact CB-CG1 3.54Å; F97-I102 HydrophobicContact CD2-CG1 4.46Å; F97-I102 HydrophobicContact CG-CG1 4.33Å; Q98-I102 PolarHBondContact O-N 2.78Å; E99-I102 PolarHBondContact O-N 3.02Å; E99-I102 VanDerWaalsContact O-N 3.13Å; I102-N104 PolarHBondContact O-N 3.17Å; I102-I105 PolarHBondContact O-N 2.8Å; I102-I106 HydrophobicContact CG2-CG1 4.2Å; I102-I106 WeakPolarHBondContact O-CG1 3.42Å; I102-I106 PolarHBondContact O-N 3.02Å; I102-M190 HydrophobicContact CG2-CG 4.38Å; I102-L193 HydrophobicContact CD1-CB 4.18Å; I102-L193 HydrophobicContact CG1-CB 4.14Å; I102-L193 HydrophobicContact CG2-CB 4.01Å; I102-L193 HydrophobicContact CG2-CD1 4.06Å; I102-Y194 HydrophobicContact CD1-CD1 3.39Å; I102-Y194 HydrophobicContact CD1-CD2 3.91Å; I102-Y194 HydrophobicContact CD1-CE1 3.65Å; I102-Y194 HydrophobicContact CD1-CE2 4.13Å; I102-Y194 HydrophobicContact CD1-CG 3.55Å; I102-Y194 HydrophobicContact CG2-CD2 4.23Å; I102-Y194 HydrophobicContact CG2-CE2 3.92Å
103R97.7Very high95.8Very high16 Ų1645.4 Ų45.46%0.0621%0.213CC..Hα-helixtrans-58.3-43.6175.8-173.6-175.8-79.9115.49.6111.8E99 E100 W107 N254 Y283 F284 T286 I287E99-R103 VanDerWaalsContact O-CB 3.27Å; E99-R103 WeakPolarHBondContact O-CB 3.32Å; E99-R103 PolarHBondContact O-N 3.37Å; E99-R103 IonicContact OE1-CZ 2.86Å; E99-R103 IonicContact OE1-NH1 3.6Å; E99-R103 IonicContact OE1-NH2 3.46Å; E99-R103 PolarHBondContact OE1-NH2 3.49Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 WeakPolarHBondContact OE2-CD 3.36Å; E100-R103 IonicContact OE2-CZ 3.69Å; E100-R103 IonicContact OE2-NE 3.63Å; E100-R103 IonicContact OE2-NH1 2.75Å; E100-R103 PolarHBondContact OE2-NH1 2.84Å; R103-W107 VanDerWaalsContact O-CB 3.23Å; R103-W107 WeakPolarHBondContact O-CB 3.45Å; R103-W107 PolarHBondContact O-N 2.82Å; R103-N254 PolarHBondContact NH2-ND2 3.1Å; R103-Y283 HydrophobicContact CB-CE1 3.9Å; R103-Y283 VanDerWaalsContact CD-O 3.32Å; R103-Y283 WeakPolarHBondContact CD-O 3.27Å; R103-Y283 HydrophobicContact CG-CD1 4.25Å; R103-Y283 HydrophobicContact CG-CE1 3.91Å; R103-Y283 PolarHBondContact NE-O 2.98Å; R103-F284 HydrophobicContact CG-CD1 3.9Å; R103-F284 HydrophobicContact CG-CE1 4.17Å; R103-T286 VanDerWaalsContact CD-OG1 3.27Å; R103-T286 WeakPolarHBondContact CD-OG1 3.28Å; R103-I287 HydrophobicContact CG-CD1 3.78Å; R103-I287 HydrophobicContact CG-CG1 4.28Å
104N97.3Very high96.2Very high37 Ų3743 Ų4320%0.19821%0.208CC..Hα-helixtrans-63.9-49.6173.8-172.213.2000111.8E100 T101 I102 I106 W107 Q108E100-N104 WeakPolarHBondContact O-CB 3.5Å; E100-N104 PolarHBondContact O-N 3.24Å; T101-N104 PolarHBondContact O-N 3.12Å; I102-N104 PolarHBondContact O-N 3.17Å; N104-I106 PolarHBondContact O-N 2.95Å; N104-W107 PolarHBondContact O-N 3.23Å; N104-Q108 WeakPolarHBondContact O-CG 3.28Å; N104-Q108 PolarHBondContact O-N 3.45Å; N104-Q108 PolarHBondContact OD1-NE2 2.88Å
105I98Very high96.6Very high0 Ų038.3 Ų38.30%018%0.175CC..Hα-helixtrans-57.3-50.9179.4-69.3160.1000111.1L86 T101 I102 Q108 V109 P136 V139 L193L86-I105 HydrophobicContact CD1-CD1 4.13Å; L86-I105 HydrophobicContact CD1-CG2 3.96Å; L86-I105 HydrophobicContact CD2-CG2 3.96Å; T101-I105 HydrophobicContact CG2-CD1 4.23Å; T101-I105 WeakPolarHBondContact O-CD1 3.37Å; T101-I105 VanDerWaalsContact O-CG1 3.27Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 3Å; I102-I105 PolarHBondContact O-N 2.8Å; I105-Q108 PolarHBondContact O-N 2.94Å; I105-V109 WeakPolarHBondContact O-CG2 3.45Å; I105-V109 PolarHBondContact O-N 3.46Å; I105-P136 HydrophobicContact CD1-CB 4.01Å; I105-P136 HydrophobicContact CG1-CB 4.16Å; I105-V139 HydrophobicContact CG1-CG2 4.18Å; I105-V139 HydrophobicContact CG2-CG2 4.32Å; I105-L193 HydrophobicContact CB-CD1 4.28Å; I105-L193 HydrophobicContact CD1-CD2 4.36Å; I105-L193 HydrophobicContact CG2-CD1 3.67Å
106I98.5Very high96.7Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-71.8-32.9-178-59.7-62000111.6I102 N104 V109 L110 V186 I189 M190 L193 F284I102-I106 HydrophobicContact CG2-CG1 4.2Å; I102-I106 WeakPolarHBondContact O-CG1 3.42Å; I102-I106 PolarHBondContact O-N 3.02Å; N104-I106 PolarHBondContact O-N 2.95Å; I106-V109 PolarHBondContact O-N 3.36Å; I106-L110 HydrophobicContact CG2-CD1 3.86Å; I106-L110 HydrophobicContact CG2-CG 4.2Å; I106-L110 WeakPolarHBondContact O-CB 3.13Å; I106-L110 VanDerWaalsContact O-CG 3.32Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.02Å; I106-V186 HydrophobicContact CD1-CG1 4.33Å; I106-V186 HydrophobicContact CG2-CG1 3.98Å; I106-I189 HydrophobicContact CD1-CG2 4.41Å; I106-M190 HydrophobicContact CD1-CB 3.8Å; I106-M190 HydrophobicContact CD1-CG 4.31Å; I106-M190 HydrophobicContact CG1-CB 3.98Å; I106-M190 HydrophobicContact CG1-CG 3.92Å; I106-M190 HydrophobicContact CG1-SD 4.22Å; I106-M190 HydrophobicContact CG2-SD 4.15Å; I106-L193 HydrophobicContact CD1-CD1 3.78Å; I106-L193 HydrophobicContact CG1-CD1 4.08Å; I106-F284 HydrophobicContact CB-CZ 4.46Å; I106-F284 HydrophobicContact CG2-CZ 3.98Å
107W98.2Very high96.8Very high22 Ų2226.5 Ų26.58%0.08313%0.127CC..Hα-helixtrans-55.6-53168.7175.9-76.3000110.5R103 N104 V109 L110 D111 L279 F284 I287 R288 K291R103-W107 VanDerWaalsContact O-CB 3.23Å; R103-W107 WeakPolarHBondContact O-CB 3.45Å; R103-W107 PolarHBondContact O-N 2.82Å; N104-W107 PolarHBondContact O-N 3.23Å; W107-V109 VanDerWaalsContact C-N 3.33Å; W107-V109 PolarHBondContact O-N 3.28Å; W107-L110 PolarHBondContact O-N 3.16Å; W107-L110 VanDerWaalsContact O-N 3.17Å; W107-D111 PolarHBondContact NE1-OD2 3.13Å; W107-D111 WeakPolarHBondContact O-CB 3.46Å; W107-D111 PolarHBondContact O-N 2.76Å; W107-L279 HydrophobicContact CD2-CD2 3.62Å; W107-L279 HydrophobicContact CE3-CD2 3.53Å; W107-L279 HydrophobicContact CG-CD2 4.23Å; W107-L279 HydrophobicContact CH2-CB 4.39Å; W107-L279 HydrophobicContact CH2-CD2 3.94Å; W107-L279 HydrophobicContact CZ2-CD2 4Å; W107-L279 HydrophobicContact CZ3-CB 4.26Å; W107-L279 HydrophobicContact CZ3-CD2 3.7Å; W107-F284 HydrophobicContact CB-CD1 4.2Å; W107-F284 HydrophobicContact CB-CE1 4.04Å; W107-F284 HydrophobicContact CE3-CB 3.74Å; W107-F284 AromaticContact CE3-CD1 3.77Å; W107-F284 HydrophobicContact CE3-CD1 3.77Å; W107-F284 AromaticContact CE3-CG 3.76Å; W107-F284 HydrophobicContact CE3-CG 3.76Å; W107-F284 HydrophobicContact CZ3-CB 3.78Å; W107-F284 HydrophobicContact CZ3-CG 4.2Å; W107-I287 HydrophobicContact CB-CD1 3.87Å; W107-I287 HydrophobicContact CD2-CB 4.42Å; W107-I287 HydrophobicContact CD2-CG2 3.62Å; W107-I287 HydrophobicContact CE3-CB 4.16Å; W107-I287 HydrophobicContact CE3-CG2 3.78Å; W107-I287 HydrophobicContact CG-CD1 4.23Å; W107-I287 HydrophobicContact CG-CG2 3.99Å; W107-I287 HydrophobicContact CZ3-CG2 4.29Å; W107-R288 HydrophobicContact CH2-CG 3.76Å; W107-R288 HydrophobicContact CZ3-CG 3.67Å; W107-K291 HydrophobicContact CZ2-CD 3.9Å; W107-K291 VanDerWaalsContact NE1-NZ 3.15Å
108Q98.2Very high96.8Very high17 Ų1734.2 Ų34.28%0.07916%0.16CC..Hα-helixtrans-61-40.3-177.3-74.2-171.455.300112.8N61 N104 I105 G112 E137 V139N61-Q108 VanDerWaalsContact CB-O 3.24Å; N61-Q108 WeakPolarHBondContact CB-O 3.41Å; N61-Q108 WeakPolarHBondContact ND2-CB 3.44Å; N61-Q108 WeakPolarHBondContact ND2-CG 3.16Å; N61-Q108 PolarHBondContact ND2-OE1 2.9Å; N104-Q108 WeakPolarHBondContact O-CG 3.28Å; N104-Q108 PolarHBondContact O-N 3.45Å; N104-Q108 PolarHBondContact OD1-NE2 2.88Å; I105-Q108 PolarHBondContact O-N 2.94Å; Q108-G112 PolarHBondContact O-N 2.61Å; Q108-G112 VanDerWaalsContact O-N 3.1Å; Q108-E137 PolarHBondContact NE2-O 2.81Å; Q108-V139 HydrophobicContact CB-CB 4.18Å
109V98.5Very high96.7Very high1 Ų130.9 Ų30.91%0.00615%0.145CC..Hα-helixtrans-62.9-45.2174.4171.20000111.6I105 I106 W107 G112 L113 M126 L131 V139 L141 V186I105-V109 WeakPolarHBondContact O-CG2 3.45Å; I105-V109 PolarHBondContact O-N 3.46Å; I106-V109 PolarHBondContact O-N 3.36Å; W107-V109 VanDerWaalsContact C-N 3.33Å; W107-V109 PolarHBondContact O-N 3.28Å; V109-G112 PolarHBondContact O-N 2.83Å; V109-L113 HydrophobicContact CG1-CD1 4.29Å; V109-L113 WeakPolarHBondContact O-CG 3.39Å; V109-L113 PolarHBondContact O-N 3.46Å; V109-M126 HydrophobicContact CG1-CE 3.67Å; V109-L131 HydrophobicContact CG1-CD2 4.49Å; V109-L131 HydrophobicContact CG2-CD1 3.76Å; V109-L131 HydrophobicContact CG2-CD2 3.85Å; V109-L131 HydrophobicContact CG2-CG 4.44Å; V109-V139 HydrophobicContact CG2-CG1 3.98Å; V109-L141 HydrophobicContact CG1-CD2 4.24Å; V109-V186 HydrophobicContact CG1-CG1 4.4Å; V109-V186 HydrophobicContact CG1-CG2 3.66Å
110L98.6Very high96.4Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-70.9-35.2178.9-71.4172.3000112.9I106 W107 L113 N114 L183 V186 A275 A278 L279 F284I106-L110 HydrophobicContact CG2-CD1 3.86Å; I106-L110 HydrophobicContact CG2-CG 4.2Å; I106-L110 WeakPolarHBondContact O-CB 3.13Å; I106-L110 VanDerWaalsContact O-CG 3.32Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.02Å; W107-L110 PolarHBondContact O-N 3.16Å; W107-L110 VanDerWaalsContact O-N 3.17Å; L110-L113 PolarHBondContact O-N 2.78Å; L110-N114 WeakPolarHBondContact O-CB 3.24Å; L110-N114 PolarHBondContact O-N 3.41Å; L110-L183 HydrophobicContact CD2-CD1 3.68Å; L110-V186 HydrophobicContact CD2-CG1 4.1Å; L110-V186 HydrophobicContact CG-CG1 4.35Å; L110-A275 HydrophobicContact CD2-CB 4.33Å; L110-A278 HydrophobicContact CD1-CB 3.74Å; L110-A278 HydrophobicContact CD2-CB 4Å; L110-L279 HydrophobicContact CB-CD1 4.36Å; L110-L279 HydrophobicContact CB-CD2 3.68Å; L110-L279 HydrophobicContact CB-CG 3.84Å; L110-L279 HydrophobicContact CD1-CD2 4.46Å; L110-F284 HydrophobicContact CD1-CE2 3.73Å; L110-F284 HydrophobicContact CD1-CZ 3.76Å
111D98Very high96Very high25 Ų2526.9 Ų26.913%0.13413%0.132CC..Hα-helixtrans-62.7-44.9174.7-131.1-12.5000109.8W107 N114 F115 K291W107-D111 PolarHBondContact NE1-OD2 3.13Å; W107-D111 WeakPolarHBondContact O-CB 3.46Å; W107-D111 PolarHBondContact O-N 2.76Å; D111-N114 PolarHBondContact O-N 3.1Å; D111-F115 PolarHBondContact O-N 3.5Å; D111-K291 IonicContact OD2-NZ 2.76Å; D111-K291 PolarHBondContact OD2-NZ 3.45Å
112G97.5Very high95.7Very high0 Ų025.5 Ų25.50%012%0.123CC..Hα-helixtrans-61.9-44.6173.700000114Q108 V109 F115 M116Q108-G112 PolarHBondContact O-N 2.61Å; Q108-G112 VanDerWaalsContact O-N 3.1Å; V109-G112 PolarHBondContact O-N 2.83Å; G112-F115 PolarHBondContact O-N 2.83Å; G112-M116 PolarHBondContact O-N 3.45Å
113L97.4Very high95.3Very high0 Ų025.5 Ų25.50%012%0.123CC..Hα-helixtrans-67.8-41.3176.7-76.4175.5000112V109 L110 F115 M116 H117 H123 M126 L141 D182 V186 A275V109-L113 HydrophobicContact CG1-CD1 4.29Å; V109-L113 WeakPolarHBondContact O-CG 3.39Å; V109-L113 PolarHBondContact O-N 3.46Å; L110-L113 PolarHBondContact O-N 2.78Å; L113-F115 VanDerWaalsContact C-N 3.3Å; L113-F115 PolarHBondContact O-N 2.92Å; L113-M116 PolarHBondContact O-N 2.83Å; L113-M116 VanDerWaalsContact O-N 3.15Å; L113-H117 WeakPolarHBondContact O-CB 3.43Å; L113-H117 PolarHBondContact O-CD2 2.88Å; L113-H117 PolarHBondContact O-N 2.99Å; L113-H123 HydrophobicContact CD2-CB 4.37Å; L113-M126 HydrophobicContact CD1-CE 4.08Å; L113-M126 HydrophobicContact CD1-SD 4.39Å; L113-M126 HydrophobicContact CD2-CG 4.49Å; L113-M126 HydrophobicContact CD2-SD 3.96Å; L113-M126 HydrophobicContact CG-SD 4.48Å; L113-L141 HydrophobicContact CD2-CD1 3.83Å; L113-L141 HydrophobicContact CG-CD1 3.96Å; L113-D182 HydrophobicContact CD1-CB 4.11Å; L113-D182 HydrophobicContact CD2-CB 4.01Å; L113-V186 HydrophobicContact CD1-CG2 3.54Å; L113-A275 HydrophobicContact CB-CB 4.15Å
114N97.7Very high94.8Very high46 Ų4627.1 Ų27.125%0.24613%0.13CC..Hα-helixtrans-56.4-43.5174.8169.456.9000111.6L110 D111 K118 A275 R276 L279L110-N114 WeakPolarHBondContact O-CB 3.24Å; L110-N114 PolarHBondContact O-N 3.41Å; D111-N114 PolarHBondContact O-N 3.1Å; N114-K118 WeakPolarHBondContact O-CB 3.5Å; N114-K118 PolarHBondContact O-N 2.81Å; N114-A275 HydrophobicContact CB-CB 3.82Å; N114-R276 WeakPolarHBondContact OD1-CB 3.25Å; N114-L279 HydrophobicContact CB-CD1 4.04Å
115F96.5Very high94.3Very high45 Ų4526.4 Ų26.420%0.19713%0.126CC..Hα-helixtrans-64.2-49172.6-176.9-89.4000112.2L57 S58 H59 I62 D111 G112 L113 H117 K118 Q119L57-F115 HydrophobicContact CD2-CD1 4.35Å; L57-F115 HydrophobicContact CD2-CE1 4.29Å; S58-F115 VanDerWaalsContact O-CZ 3.24Å; S58-F115 WeakPolarHBondContact O-CZ 3.22Å; H59-F115 HydrophobicContact CB-CB 4.32Å; H59-F115 HydrophobicContact CB-CD1 3.73Å; H59-F115 HydrophobicContact CB-CD2 4.37Å; H59-F115 HydrophobicContact CB-CE1 4.08Å; H59-F115 HydrophobicContact CB-CG 3.88Å; H59-F115 AromaticContact CD2-CD2 3.69Å; H59-F115 AromaticContact CD2-CG 3.66Å; H59-F115 AromaticContact CG-CG 3.84Å; I62-F115 HydrophobicContact CD1-CD1 3.9Å; D111-F115 PolarHBondContact O-N 3.5Å; G112-F115 PolarHBondContact O-N 2.83Å; L113-F115 VanDerWaalsContact C-N 3.3Å; L113-F115 PolarHBondContact O-N 2.92Å; F115-H117 PolarHBondContact O-N 2.95Å; F115-K118 PolarHBondContact O-N 2.85Å; F115-Q119 HydrophobicContact CD1-CG 4Å; F115-Q119 HydrophobicContact CE1-CG 3.56Å; F115-Q119 HydrophobicContact CZ-CG 3.85Å; F115-Q119 VanDerWaalsContact CZ-NE2 3.35Å; F115-Q119 WeakPolarHBondContact O-CG 3.29Å; F115-Q119 PolarHBondContact O-N 2.63Å
116M93.9Very high94.1Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-58.8-45.9-179.5-175.2176.8-73.400112.4L57 I62 G112 L113 Q119 G120 F121 H123 L141 F144L57-M116 HydrophobicContact CD1-CE 4.01Å; L57-M116 HydrophobicContact CD2-CB 4.17Å; L57-M116 HydrophobicContact CD2-CG 3.97Å; I62-M116 HydrophobicContact CD1-CB 4.43Å; I62-M116 HydrophobicContact CD1-CE 4.26Å; G112-M116 PolarHBondContact O-N 3.45Å; L113-M116 PolarHBondContact O-N 2.83Å; L113-M116 VanDerWaalsContact O-N 3.15Å; M116-Q119 PolarHBondContact O-N 3Å; M116-G120 PolarHBondContact O-N 2.97Å; M116-F121 CarbonylContact C-O 3.49Å; M116-F121 HydrophobicContact CG-CB 3.76Å; M116-F121 PolarHBondContact O-N 3.28Å; M116-F121 VanDerWaalsContact O-O 3.1Å; M116-H123 HydrophobicContact SD-CB 3.99Å; M116-L141 HydrophobicContact CE-CD1 4.19Å; M116-F144 HydrophobicContact CE-CD1 3.64Å; M116-F144 HydrophobicContact CE-CE1 3.27Å; M116-F144 HydrophobicContact CE-CG 4.47Å; M116-F144 HydrophobicContact CE-CZ 3.82Å
117H94.8Very high93.8Very high28 Ų2826.8 Ų26.813%0.1313%0.128CC..Hα-helixtrans-65.2-38.2178.2-62171.3000111.2L113 F115 Q119 G120 F121 I150 D182L113-H117 WeakPolarHBondContact O-CB 3.43Å; L113-H117 PolarHBondContact O-CD2 2.88Å; L113-H117 PolarHBondContact O-N 2.99Å; F115-H117 PolarHBondContact O-N 2.95Å; H117-Q119 VanDerWaalsContact C-N 3.34Å; H117-Q119 PolarHBondContact O-N 3.11Å; H117-G120 PolarHBondContact O-N 2.81Å; H117-G120 VanDerWaalsContact O-N 3.08Å; H117-F121 VanDerWaalsContact CA-O 3.32Å; H117-F121 WeakPolarHBondContact CA-O 3.5Å; H117-F121 PolarHBondContact CD2-O 3.22Å; H117-F121 VanDerWaalsContact CD2-O 3.28Å; H117-F121 PolarHBondContact N-O 3.17Å; H117-I150 HydrophobicContact CB-CD1 4.31Å; H117-I150 WeakPolarHBondContact O-CD1 3.38Å; H117-D182 IonicContact CD2-OD2 2.79Å; H117-D182 IonicContact CE1-OD2 2.66Å; H117-D182 IonicContact NE2-OD2 3.48Å; H117-D182 PolarHBondContact NE2-OD2 2.94Å
118K93.7Very high93.5Very high178 Ų17825.7 Ų25.777%0.77412%0.124SC*.Hα-helixtrans-64.8-34.9172.6-173.1-177.1176.7-171.10112.7N114 F115 G120N114-K118 WeakPolarHBondContact O-CB 3.5Å; N114-K118 PolarHBondContact O-N 2.81Å; F115-K118 PolarHBondContact O-N 2.85Å; K118-G120 PolarHBondContact O-N 3.35Å
119Q91.3Very high93Very high81 Ų8125.3 Ų25.338%0.37912%0.122SC..THydrogen-bonded Turntrans-744.1173.2-65.2-61.6-1500113.6L57 F115 M116 H117 F121L57-Q119 HydrophobicContact CD2-CB 4.14Å; L57-Q119 HydrophobicContact CD2-CG 4.3Å; F115-Q119 HydrophobicContact CD1-CG 4Å; F115-Q119 HydrophobicContact CE1-CG 3.56Å; F115-Q119 HydrophobicContact CZ-CG 3.85Å; F115-Q119 VanDerWaalsContact CZ-NE2 3.35Å; F115-Q119 WeakPolarHBondContact O-CG 3.29Å; F115-Q119 PolarHBondContact O-N 2.63Å; M116-Q119 PolarHBondContact O-N 3Å; H117-Q119 VanDerWaalsContact C-N 3.34Å; H117-Q119 PolarHBondContact O-N 3.11Å; Q119-F121 HydrophobicContact CB-CD2 4.01Å; Q119-F121 VanDerWaalsContact O-CD2 3.3Å; Q119-F121 WeakPolarHBondContact O-CD2 3.39Å; Q119-F121 WeakPolarHBondContact O-CE2 3.21Å
120G88.4Confident92.6Very high23 Ų2325.3 Ų25.324%0.23712%0.122CC..THydrogen-bonded Turntrans78.219.2179.200000113.9M116 H117 K118 E149 I150M116-G120 PolarHBondContact O-N 2.97Å; H117-G120 PolarHBondContact O-N 2.81Å; H117-G120 VanDerWaalsContact O-N 3.08Å; K118-G120 PolarHBondContact O-N 3.35Å; G120-E149 CarbonylContact O-C 3.26Å; G120-E149 VanDerWaalsContact O-CA 3.24Å; G120-E149 WeakPolarHBondContact O-CA 3.48Å; G120-E149 WeakPolarHBondContact O-CG 3.32Å; G120-I150 WeakPolarHBondContact O-CB 3.33Å; G120-I150 PolarHBondContact O-N 3.36Å
121F88Confident92.4Very high16 Ų1625.3 Ų25.37%0.0712%0.122CC..EExtended strand (participates in β ladder)trans-115.6159.2176.8-64.5-77.6000112S53 K56 L57 M116 H117 Q119 R148 E149S53-F121 WeakPolarHBondContact OG-CE1 3.26Å; K56-F121 HydrophobicContact CB-CE2 4.39Å; K56-F121 HydrophobicContact CD-CE2 4.09Å; K56-F121 HydrophobicContact CD-CZ 4.34Å; L57-F121 HydrophobicContact CD1-CD2 4.5Å; L57-F121 HydrophobicContact CD2-CD2 4.26Å; L57-F121 HydrophobicContact CG-CD2 4.43Å; M116-F121 CarbonylContact C-O 3.49Å; M116-F121 HydrophobicContact CG-CB 3.76Å; M116-F121 PolarHBondContact O-N 3.28Å; M116-F121 VanDerWaalsContact O-O 3.1Å; H117-F121 VanDerWaalsContact CA-O 3.32Å; H117-F121 WeakPolarHBondContact CA-O 3.5Å; H117-F121 PolarHBondContact CD2-O 3.22Å; H117-F121 VanDerWaalsContact CD2-O 3.28Å; H117-F121 PolarHBondContact N-O 3.17Å; Q119-F121 HydrophobicContact CB-CD2 4.01Å; Q119-F121 VanDerWaalsContact O-CD2 3.3Å; Q119-F121 WeakPolarHBondContact O-CD2 3.39Å; Q119-F121 WeakPolarHBondContact O-CE2 3.21Å; F121-R148 CarbonylContact C-O 3.56Å; F121-R148 VanDerWaalsContact CA-O 3.26Å; F121-R148 WeakPolarHBondContact CA-O 3.3Å; F121-E149 HydrophobicContact CD1-CB 4.37Å; F121-E149 HydrophobicContact CE1-CB 4.31Å
122F89.3Confident92.2Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-144.1151.3170.369.3-68.7000111.1R124 A147 R148 I150 Y156 Y177 V181F122-R124 HydrophobicContact CD2-CG 3.5Å; F122-R124 VanDerWaalsContact CD2-CG 3.5Å; F122-R124 HydrophobicContact CE2-CG 3.46Å; F122-R124 VanDerWaalsContact CE2-CG 3.46Å; F122-R124 HydrophobicContact CG-CG 4.29Å; F122-R124 HydrophobicContact CZ-CG 4.22Å; F122-A147 WeakPolarHBondContact O-CA 3.49Å; F122-R148 HydrophobicContact CD1-CB 4.46Å; F122-R148 VanDerWaalsContact CD1-O 3.24Å; F122-R148 WeakPolarHBondContact CD1-O 3.24Å; F122-R148 HydrophobicContact CE1-CB 3.98Å; F122-R148 HydrophobicContact CZ-CB 4.47Å; F122-R148 PolarHBondContact N-O 2.97Å; F122-R148 PolarHBondContact O-N 3Å; F122-I150 HydrophobicContact CB-CG1 4.26Å; F122-I150 HydrophobicContact CD1-CB 4.49Å; F122-I150 HydrophobicContact CD1-CG1 3.74Å; F122-I150 HydrophobicContact CG-CG1 4.36Å; F122-Y156 HydrophobicContact CZ-CE1 4.26Å; F122-Y177 AromaticContact CE2-CD2 3.95Å; F122-Y177 HydrophobicContact CE2-CD2 3.95Å; F122-Y177 AromaticContact CE2-CE2 3.93Å; F122-Y177 HydrophobicContact CE2-CE2 3.93Å; F122-Y177 HydrophobicContact CZ-CE2 4.45Å; F122-V181 HydrophobicContact CD2-CG2 4.13Å; F122-V181 HydrophobicContact CE2-CG2 4.34Å
123H89.1Confident92Very high0 Ų024.3 Ų24.30%012%0.116CC..  trans-87.3-39.9-158.1-165.4-30.6000113.8L113 M116 D125 M126 A142 F144 D182L113-H123 HydrophobicContact CD2-CB 4.37Å; M116-H123 HydrophobicContact SD-CB 3.99Å; H123-D125 PolarHBondContact O-N 3.38Å; H123-M126 HydrophobicContact CB-CG 4.07Å; H123-M126 HydrophobicContact CB-SD 4.1Å; H123-M126 PolarHBondContact CD2-SD 2.89Å; H123-A142 PolarHBondContact CE1-O 2.78Å; H123-A142 PolarHBondContact NE2-O 2.93Å; H123-F144 AromaticContact CD2-CE1 3.76Å; H123-F144 AromaticContact CE1-CD1 3.99Å; H123-F144 AromaticContact NE2-CD1 3.89Å; H123-F144 AromaticContact NE2-CE1 3.54Å; H123-D182 PolarHBondContact N-OD1 2.82Å; H123-D182 PolarHBondContact N-OD2 2.78Å
124R88.6Confident91.7Very high50 Ų5027.5 Ų27.519%0.18913%0.133CC..SBendtrans63.1-3.9176.9-48.7-169-55.2126.16.3117.8F122 L146 Y177 D182F122-R124 HydrophobicContact CD2-CG 3.5Å; F122-R124 VanDerWaalsContact CD2-CG 3.5Å; F122-R124 HydrophobicContact CE2-CG 3.46Å; F122-R124 VanDerWaalsContact CE2-CG 3.46Å; F122-R124 HydrophobicContact CG-CG 4.29Å; F122-R124 HydrophobicContact CZ-CG 4.22Å; R124-L146 PolarHBondContact NE-O 3.45Å; R124-L146 PolarHBondContact NH2-O 3.27Å; R124-Y177 HydrophobicContact CG-CE2 4.43Å; R124-Y177 PolarHBondContact NH1-OH 3.37Å; R124-Y177 VanDerWaalsContact NH1-OH 3.12Å; R124-D182 PolarHBondContact N-OD1 2.82Å
125D86.9Confident91.3Very high22 Ų2226.5 Ų26.512%0.11813%0.134CC..  trans-14143.7-179.9-170.936.2000110.7H123 K127 N130 L146H123-D125 PolarHBondContact O-N 3.38Å; D125-K127 PolarHBondContact O-N 3.33Å; D125-K127 IonicContact OD1-NZ 2.7Å; D125-K127 PolarHBondContact OD1-NZ 3.5Å; D125-K127 IonicContact OD2-NZ 3.68Å; D125-K127 PolarHBondContact OD2-NZ 2.88Å; D125-N130 PolarHBondContact O-ND2 3.28Å; D125-N130 PolarHBondContact OD2-ND2 2.93Å; D125-L146 HydrophobicContact CB-CB 4.38Å; D125-L146 HydrophobicContact CB-CD1 3.9Å
126M93.7Very high91Very high5 Ų525.7 Ų25.73%0.02513%0.133CC..  trans-68.4119.4174.8-75.4-62.2-60.200110.3V109 L113 H123 L131 L141 Y165 D182 A185 V186 I189V109-M126 HydrophobicContact CG1-CE 3.67Å; L113-M126 HydrophobicContact CD1-CE 4.08Å; L113-M126 HydrophobicContact CD1-SD 4.39Å; L113-M126 HydrophobicContact CD2-CG 4.49Å; L113-M126 HydrophobicContact CD2-SD 3.96Å; L113-M126 HydrophobicContact CG-SD 4.48Å; H123-M126 HydrophobicContact CB-CG 4.07Å; H123-M126 HydrophobicContact CB-SD 4.1Å; H123-M126 PolarHBondContact CD2-SD 2.89Å; M126-L131 HydrophobicContact CE-CD2 3.96Å; M126-L141 HydrophobicContact CE-CD2 3.91Å; M126-L141 HydrophobicContact SD-CD2 4.09Å; M126-Y165 VanDerWaalsContact O-CB 3.29Å; M126-Y165 WeakPolarHBondContact O-CB 3.39Å; M126-D182 HydrophobicContact CG-CB 4Å; M126-A185 HydrophobicContact CB-CB 3.45Å; M126-A185 VanDerWaalsContact CB-CB 3.45Å; M126-A185 HydrophobicContact CG-CB 4.47Å; M126-V186 HydrophobicContact CE-CG2 3.99Å; M126-I189 HydrophobicContact CB-CD1 4.48Å; M126-I189 HydrophobicContact CE-CD1 4.41Å
127K91.4Very high90.9Very high3 Ų331.8 Ų31.81%0.01316%0.161CC..  trans-160.1159178.261.3-174.8178.1-124.50111D125 E129 N130 L131 S161 Y165D125-K127 PolarHBondContact O-N 3.33Å; D125-K127 IonicContact OD1-NZ 2.7Å; D125-K127 PolarHBondContact OD1-NZ 3.5Å; D125-K127 IonicContact OD2-NZ 3.68Å; D125-K127 PolarHBondContact OD2-NZ 2.88Å; K127-E129 WeakPolarHBondContact CB-OE2 3.32Å; K127-E129 HydrophobicContact CD-CB 4.35Å; K127-E129 WeakPolarHBondContact CD-OE2 3.48Å; K127-E129 HydrophobicContact CG-CB 4.25Å; K127-E129 WeakPolarHBondContact CG-OE2 3.38Å; K127-E129 PolarHBondContact O-N 2.68Å; K127-E129 VanDerWaalsContact O-N 3.12Å; K127-N130 WeakPolarHBondContact CE-ND2 3.46Å; K127-N130 VanDerWaalsContact CE-OD1 3.29Å; K127-N130 WeakPolarHBondContact CE-OD1 3.3Å; K127-N130 HydrophobicContact CG-CB 3.99Å; K127-N130 PolarHBondContact O-N 3.5Å; K127-L131 PolarHBondContact O-N 2.83Å; K127-S161 PolarHBondContact NZ-OG 3.12Å; K127-Y165 HydrophobicContact CB-CD2 3.41Å; K127-Y165 VanDerWaalsContact CB-CD2 3.41Å; K127-Y165 HydrophobicContact CB-CE2 3.47Å; K127-Y165 VanDerWaalsContact CB-CE2 3.47Å; K127-Y165 HydrophobicContact CB-CG 4.15Å
128P91.8Very high90.9Very high0 Ų033 Ų330%017%0.171CC..G310 helixtrans-58.5-25.4-179.9-23.535.1000113.9L86 Y87 I90 Y165 I189L86-P128 HydrophobicContact CB-CB 4.34Å; L86-P128 PolarHBondContact N-O 3.15Å; Y87-P128 PolarHBondContact N-O 3.47Å; I90-P128 HydrophobicContact CD1-CB 4.33Å; P128-Y165 VanDerWaalsContact CD-OH 3.29Å; P128-Y165 WeakPolarHBondContact CD-OH 3.41Å; P128-Y165 HydrophobicContact CG-CE1 4.12Å; P128-I189 HydrophobicContact CG-CG1 4.12Å
129E87Confident91Very high9 Ų924.6 Ų24.64%0.04214%0.135CC..G310 helixtrans-68.4-33.2174.6-58.997.1129.700113.2N85 Y87 K127 F629N85-E129 WeakPolarHBondContact CB-O 3.09Å; N85-E129 WeakPolarHBondContact ND2-CA 3.47Å; N85-E129 PolarHBondContact ND2-O 2.84Å; Y87-E129 HydrophobicContact CD1-CG 4.16Å; Y87-E129 HydrophobicContact CD2-CG 4.27Å; Y87-E129 HydrophobicContact CG-CG 3.91Å; K127-E129 WeakPolarHBondContact CB-OE2 3.32Å; K127-E129 HydrophobicContact CD-CB 4.35Å; K127-E129 WeakPolarHBondContact CD-OE2 3.48Å; K127-E129 HydrophobicContact CG-CB 4.25Å; K127-E129 WeakPolarHBondContact CG-OE2 3.38Å; K127-E129 PolarHBondContact O-N 2.68Å; K127-E129 VanDerWaalsContact O-N 3.12Å; E129-F629 WeakPolarHBondContact O-CD2 3.39Å
130N90.9Very high91.3Very high1 Ų122.3 Ų22.31%0.00512%0.124CC..G310 helixtrans-90.71.2-176.7-74.41.8000113.2D125 K127 A142 F629D125-N130 PolarHBondContact O-ND2 3.28Å; D125-N130 PolarHBondContact OD2-ND2 2.93Å; K127-N130 WeakPolarHBondContact CE-ND2 3.46Å; K127-N130 VanDerWaalsContact CE-OD1 3.29Å; K127-N130 WeakPolarHBondContact CE-OD1 3.3Å; K127-N130 HydrophobicContact CG-CB 3.99Å; K127-N130 PolarHBondContact O-N 3.5Å; N130-A142 PolarHBondContact O-N 3.29Å; N130-F629 HydrophobicContact CB-CE2 4.43Å
131L94.1Very high91.6Very high0 Ų021.3 Ų21.30%011%0.113CC..EExtended strand (participates in β ladder)trans-98.392.6172.8-67.3-179.6000109N85 L86 V109 M126 K127 V139 L141 I189N85-L131 CarbonylContact C-O 3.36Å; N85-L131 WeakPolarHBondContact CA-O 3.43Å; N85-L131 WeakPolarHBondContact CB-O 3.29Å; L86-L131 HydrophobicContact CB-CB 3.84Å; L86-L131 HydrophobicContact CD2-CB 4.28Å; L86-L131 HydrophobicContact CD2-CD1 3.59Å; L86-L131 PolarHBondContact N-O 3.25Å; V109-L131 HydrophobicContact CG1-CD2 4.49Å; V109-L131 HydrophobicContact CG2-CD1 3.76Å; V109-L131 HydrophobicContact CG2-CD2 3.85Å; V109-L131 HydrophobicContact CG2-CG 4.44Å; M126-L131 HydrophobicContact CE-CD2 3.96Å; K127-L131 PolarHBondContact O-N 2.83Å; L131-V139 HydrophobicContact CB-CG1 4.28Å; L131-L141 HydrophobicContact CD2-CD2 3.43Å; L131-L141 VanDerWaalsContact CD2-CD2 3.43Å; L131-I189 HydrophobicContact CD1-CD1 4.08Å; L131-I189 HydrophobicContact CD1-CG2 4.04Å
132L94Very high91.6Very high3 Ų320.5 Ų20.52%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-68143175.9-80.4-178.8000110.8V63 L82 N84 N85 V139 K140 A142 F629V63-L132 HydrophobicContact CB-CD1 4.45Å; V63-L132 HydrophobicContact CG2-CD1 4.09Å; L82-L132 HydrophobicContact CB-CB 4.05Å; L82-L132 HydrophobicContact CB-CD1 4.46Å; L82-L132 HydrophobicContact CB-CD2 4.39Å; L82-L132 HydrophobicContact CD1-CB 4.22Å; L82-L132 HydrophobicContact CD1-CD1 4.06Å; L82-L132 HydrophobicContact CD2-CB 4.11Å; L82-L132 HydrophobicContact CG-CB 4.34Å; N84-L132 WeakPolarHBondContact O-CD2 3.45Å; N85-L132 HydrophobicContact CB-CD2 4.48Å; L132-V139 CarbonylContact O-C 3.35Å; L132-V139 WeakPolarHBondContact O-CA 3.39Å; L132-K140 PolarHBondContact N-O 3.34Å; L132-K140 PolarHBondContact O-N 3.04Å; L132-A142 HydrophobicContact CB-CB 4.48Å; L132-A142 HydrophobicContact CD1-CB 3.77Å; L132-A142 HydrophobicContact CG-CB 3.86Å; L132-F629 HydrophobicContact CD1-CD1 4.16Å; L132-F629 HydrophobicContact CD1-CE1 3.76Å; L132-F629 HydrophobicContact CD2-CB 4.36Å; L132-F629 HydrophobicContact CD2-CD1 3.47Å; L132-F629 VanDerWaalsContact CD2-CD1 3.47Å; L132-F629 HydrophobicContact CD2-CE1 3.94Å; L132-F629 HydrophobicContact CD2-CG 4.05Å; L132-F629 HydrophobicContact CG-CD1 3.92Å; L132-F629 HydrophobicContact CG-CE1 3.86Å; L132-F629 HydrophobicContact CG-CZ 4.49Å
133C94.1Very high90.9Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-151.5148.6-177.5680000115.1N84 G135 T138 V139N84-C133 PolarHBondContact N-O 2.93Å; N84-C133 PolarHBondContact O-N 3.34Å; C133-G135 WeakPolarHBondContact CB-O 3.05Å; C133-T138 CarbonylContact C-O 3.39Å; C133-T138 WeakPolarHBondContact CA-O 3.48Å; C133-T138 WeakPolarHBondContact CB-O 3.35Å; C133-V139 HydrophobicContact CB-CG2 4.23Å
134N91.3Very high89.8Confident68 Ų6823.1 Ų23.136%0.36412%0.123SC..EExtended strand (participates in β ladder)trans-111.182.5165.8-70.31.3000107.5L82 E83 T138L82-N134 WeakPolarHBondContact CA-OD1 2.98Å; L82-N134 VanDerWaalsContact CB-OD1 3.26Å; L82-N134 WeakPolarHBondContact CB-OD1 3.28Å; E83-N134 PolarHBondContact N-OD1 2.8Å; N134-T138 PolarHBondContact N-O 2.86Å
135G89.2Confident88.3Confident25 Ų2522.1 Ų22.126%0.25813%0.129SC..THydrogen-bonded Turntrans62.3-166.2-164.100000112.4C133 E137C133-G135 WeakPolarHBondContact CB-O 3.05Å; G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 3.4Å
136P89.6Confident86.8Confident27 Ų2722.4 Ų22.418%0.17513%0.13CC..THydrogen-bonded Turntrans-74.8-16.5177.431.6-35.1000113.7T101 I105 T138T101-P136 HydrophobicContact CG2-CB 3.32Å; T101-P136 HydrophobicContact CG2-CG 3.73Å; I105-P136 HydrophobicContact CD1-CB 4.01Å; I105-P136 HydrophobicContact CG1-CB 4.16Å; P136-T138 PolarHBondContact O-N 3.11Å
137E91.8Very high84.8Confident128 Ų12822.4 Ų22.460%0.59813%0.131SC*.THydrogen-bonded Turntrans-72.7-28.5-172.6-57.2-47.3134.200113.7Q108 G135Q108-E137 PolarHBondContact NE2-O 2.81Å; G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 3.4Å
138T94.6Very high83.1Confident55 Ų5523.4 Ų23.434%0.33713%0.134SC..EExtended strand (participates in β ladder)trans-134.5114.1178.4-66.50000109.9L82 C133 N134 P136 K140L82-T138 HydrophobicContact CD2-CG2 4.36Å; C133-T138 CarbonylContact C-O 3.39Å; C133-T138 WeakPolarHBondContact CA-O 3.48Å; C133-T138 WeakPolarHBondContact CB-O 3.35Å; N134-T138 PolarHBondContact N-O 2.86Å; P136-T138 PolarHBondContact O-N 3.11Å; T138-K140 HydrophobicContact CG2-CG 4.44Å
139V96.9Very high81.4Confident1 Ų127.8 Ų27.81%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-120.6133.7176.3-176.30000109.5N61 I105 Q108 V109 L131 L132 C133N61-V139 PolarHBondContact ND2-O 3.49Å; I105-V139 HydrophobicContact CG1-CG2 4.18Å; I105-V139 HydrophobicContact CG2-CG2 4.32Å; Q108-V139 HydrophobicContact CB-CB 4.18Å; V109-V139 HydrophobicContact CG2-CG1 3.98Å; L131-V139 HydrophobicContact CB-CG1 4.28Å; L132-V139 CarbonylContact O-C 3.35Å; L132-V139 WeakPolarHBondContact O-CA 3.39Å; C133-V139 HydrophobicContact CB-CG2 4.23Å
140K96Very high80Confident33 Ų3329.5 Ų29.514%0.14316%0.164CC..EExtended strand (participates in β ladder)trans-130.7135.4179-56.7-162.1-176.5-1630111.8P60 N61 D80 L82 L132 T138P60-K140 WeakPolarHBondContact O-CD 3.41Å; P60-K140 WeakPolarHBondContact O-CE 3.43Å; P60-K140 WeakPolarHBondContact O-CG 3.38Å; N61-K140 WeakPolarHBondContact O-CA 3.12Å; D80-K140 IonicContact OD2-NZ 2.72Å; D80-K140 PolarHBondContact OD2-NZ 3.01Å; L82-K140 HydrophobicContact CD1-CD 4.08Å; L82-K140 HydrophobicContact CD2-CB 4.44Å; L82-K140 HydrophobicContact CD2-CD 4.27Å; L82-K140 HydrophobicContact CD2-CG 4.03Å; L132-K140 PolarHBondContact N-O 3.34Å; L132-K140 PolarHBondContact O-N 3.04Å; T138-K140 HydrophobicContact CG2-CG 4.44Å
141L94.5Very high77.6Confident1 Ų139.7 Ų39.71%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-64142.4168.9-53.1-174.8000110.5N61 I62 V63 V109 L113 M116 M126 L131 F144N61-L141 WeakPolarHBondContact O-CG 3.37Å; N61-L141 PolarHBondContact O-N 3.39Å; I62-L141 HydrophobicContact CG1-CB 4.42Å; I62-L141 HydrophobicContact CG1-CD1 4.34Å; V63-L141 WeakPolarHBondContact CG1-O 3.4Å; V63-L141 PolarHBondContact N-O 2.91Å; V109-L141 HydrophobicContact CG1-CD2 4.24Å; L113-L141 HydrophobicContact CD2-CD1 3.83Å; L113-L141 HydrophobicContact CG-CD1 3.96Å; M116-L141 HydrophobicContact CE-CD1 4.19Å; M126-L141 HydrophobicContact CE-CD2 3.91Å; M126-L141 HydrophobicContact SD-CD2 4.09Å; L131-L141 HydrophobicContact CD2-CD2 3.43Å; L131-L141 VanDerWaalsContact CD2-CD2 3.43Å; L141-F144 HydrophobicContact CB-CE1 3.99Å; L141-F144 HydrophobicContact CB-CZ 3.91Å; L141-F144 WeakPolarHBondContact O-CZ 3.15Å
142A88.3Confident75Confident0 Ų041 Ų410%021%0.211CC..  trans-152.5165.8-177.800000114.7V63 H123 N130 L132 F629V63-A142 HydrophobicContact CB-CB 4.23Å; V63-A142 HydrophobicContact CG1-CB 3.77Å; H123-A142 PolarHBondContact CE1-O 2.78Å; H123-A142 PolarHBondContact NE2-O 2.93Å; N130-A142 PolarHBondContact O-N 3.29Å; L132-A142 HydrophobicContact CB-CB 4.48Å; L132-A142 HydrophobicContact CD1-CB 3.77Å; L132-A142 HydrophobicContact CG-CB 3.86Å; A142-F629 HydrophobicContact CB-CE1 3.95Å; A142-F629 HydrophobicContact CB-CE2 4.09Å; A142-F629 HydrophobicContact CB-CZ 3.4Å; A142-F629 VanDerWaalsContact CB-CZ 3.4Å
143D75.4Confident72.4Confident49 Ų4949 Ų4926%0.26225%0.248SC..  trans56.973.1-171.3-157.827.6000115.9K33 G145 F629K33-D143 IonicContact NZ-OD1 3.24Å; K33-D143 PolarHBondContact NZ-OD1 2.86Å; D143-G145 PolarHBondContact O-N 3.28Å; D143-G145 VanDerWaalsContact O-N 3.17Å; D143-F629 HydrophobicContact CB-CE2 3.77Å; D143-F629 HydrophobicContact CB-CZ 3.84Å
144F65.1Low70Confident5 Ų551.9 Ų51.92%0.02227%0.267CS..G310 helixtrans-80.218.2175-49.7-51.4000113.9L54 I62 V63 M116 H123 L141 L146 A147L54-F144 HydrophobicContact CD2-CD2 3.49Å; L54-F144 VanDerWaalsContact CD2-CD2 3.49Å; L54-F144 HydrophobicContact CD2-CE2 3.85Å; L54-F144 HydrophobicContact CG-CD2 4.11Å; I62-F144 HydrophobicContact CG2-CE2 3.74Å; I62-F144 HydrophobicContact CG2-CZ 3.77Å; V63-F144 HydrophobicContact CG1-CE2 4Å; V63-F144 HydrophobicContact CG1-CZ 4.49Å; M116-F144 HydrophobicContact CE-CD1 3.64Å; M116-F144 HydrophobicContact CE-CE1 3.27Å; M116-F144 HydrophobicContact CE-CG 4.47Å; M116-F144 HydrophobicContact CE-CZ 3.82Å; H123-F144 AromaticContact CD2-CE1 3.76Å; H123-F144 AromaticContact CE1-CD1 3.99Å; H123-F144 AromaticContact NE2-CD1 3.89Å; H123-F144 AromaticContact NE2-CE1 3.54Å; L141-F144 HydrophobicContact CB-CE1 3.99Å; L141-F144 HydrophobicContact CB-CZ 3.91Å; L141-F144 WeakPolarHBondContact O-CZ 3.15Å; F144-L146 PolarHBondContact O-N 2.98Å; F144-L146 VanDerWaalsContact O-N 3.1Å; F144-A147 HydrophobicContact CB-CB 3.69Å; F144-A147 HydrophobicContact CD1-CB 4.38Å; F144-A147 HydrophobicContact CG-CB 4.41Å; F144-A147 WeakPolarHBondContact O-CB 3.46Å; F144-A147 PolarHBondContact O-N 3.26Å
145G57.3Low67.7Low30 Ų3054 Ų5431%0.30929%0.285SS..G310 helixtrans-58.5-20.217300000113.7D143D143-G145 PolarHBondContact O-N 3.28Å; D143-G145 VanDerWaalsContact O-N 3.17Å
146L55.6Low65.6Low28 Ų2854.8 Ų54.815%0.14728%0.28CS..G310 helixtrans-1090.2171.5-67.8175.8000114.4R124 D125 F144R124-L146 PolarHBondContact NE-O 3.45Å; R124-L146 PolarHBondContact NH2-O 3.27Å; D125-L146 HydrophobicContact CB-CB 4.38Å; D125-L146 HydrophobicContact CB-CD1 3.9Å; F144-L146 PolarHBondContact O-N 2.98Å; F144-L146 VanDerWaalsContact O-N 3.1Å
147A52.3Low63.4Low5 Ų557.9 Ų57.94%0.04130%0.299CS..  trans-64.3141.8179.500000111.5F122 F144F122-A147 WeakPolarHBondContact O-CA 3.49Å; F144-A147 HydrophobicContact CB-CB 3.69Å; F144-A147 HydrophobicContact CD1-CB 4.38Å; F144-A147 HydrophobicContact CG-CB 4.41Å; F144-A147 WeakPolarHBondContact O-CB 3.46Å; F144-A147 PolarHBondContact O-N 3.26Å
148R56.2Low60.9Low23 Ų2357.4 Ų57.49%0.08730%0.3CS..EExtended strand (participates in β ladder)trans-133.6157.1179.5-81.8-173.263153.7-12.5111.6F121 F122 S152 Q153 P155 Y156F121-R148 CarbonylContact C-O 3.56Å; F121-R148 VanDerWaalsContact CA-O 3.26Å; F121-R148 WeakPolarHBondContact CA-O 3.3Å; F122-R148 HydrophobicContact CD1-CB 4.46Å; F122-R148 VanDerWaalsContact CD1-O 3.24Å; F122-R148 WeakPolarHBondContact CD1-O 3.24Å; F122-R148 HydrophobicContact CE1-CB 3.98Å; F122-R148 HydrophobicContact CZ-CB 4.47Å; F122-R148 PolarHBondContact N-O 2.97Å; F122-R148 PolarHBondContact O-N 3Å; R148-S152 PolarHBondContact NE-OG 2.96Å; R148-S152 PolarHBondContact NH2-O 3.09Å; R148-S152 PolarHBondContact NH2-OG 2.85Å; R148-Q153 PolarHBondContact NH2-O 3.44Å; R148-P155 PolarHBondContact NH1-O 2.88Å; R148-Y156 VanDerWaalsContact CZ-CD1 3.48Å; R148-Y156 VanDerWaalsContact NH1-CD1 3.35Å
149E55.3Low58.6Low92 Ų9260.8 Ų60.843%0.4331%0.308SS..EExtended strand (participates in β ladder)trans-72.7133.9171.5-169-179.916400109.7G120 F121 R151 S152G120-E149 CarbonylContact O-C 3.26Å; G120-E149 VanDerWaalsContact O-CA 3.24Å; G120-E149 WeakPolarHBondContact O-CA 3.48Å; G120-E149 WeakPolarHBondContact O-CG 3.32Å; F121-E149 HydrophobicContact CD1-CB 4.37Å; F121-E149 HydrophobicContact CE1-CB 4.31Å; E149-R151 HydrophobicContact CG-CB 4.44Å; E149-R151 PolarHBondContact O-N 2.87Å; E149-R151 VanDerWaalsContact O-N 3.08Å; E149-S152 WeakPolarHBondContact O-CB 3.2Å; E149-S152 PolarHBondContact O-N 3.36Å; E149-S152 PolarHBondContact O-OG 2.9Å
150I56.8Low56Low45 Ų4562.5 Ų62.523%0.23132%0.318CS..THydrogen-bonded Turntrans-54.5-24.6178.6-75-177.3000112.3H117 G120 F122 N178H117-I150 HydrophobicContact CB-CD1 4.31Å; H117-I150 WeakPolarHBondContact O-CD1 3.38Å; G120-I150 WeakPolarHBondContact O-CB 3.33Å; G120-I150 PolarHBondContact O-N 3.36Å; F122-I150 HydrophobicContact CB-CG1 4.26Å; F122-I150 HydrophobicContact CD1-CB 4.49Å; F122-I150 HydrophobicContact CD1-CG1 3.74Å; F122-I150 HydrophobicContact CG-CG1 4.36Å; I150-N178 WeakPolarHBondContact CG1-OD1 3.33Å; I150-N178 WeakPolarHBondContact CG2-OD1 3.44Å; I150-N178 PolarHBondContact O-ND2 3.03Å
151R40.6Very low53.8Low215 Ų21562 Ų6281%0.81132%0.319SS*.THydrogen-bonded Turntrans-97.8-3.7178.4-64.3175.6175.2160.8-4114.3E149 Q153E149-R151 HydrophobicContact CG-CB 4.44Å; E149-R151 PolarHBondContact O-N 2.87Å; E149-R151 VanDerWaalsContact O-N 3.08Å; R151-Q153 PolarHBondContact O-N 2.87Å
152S40Very low52.2Low27 Ų2763.8 Ų63.819%0.18933%0.33CS..PPolyproline II helixtrans-75.5119.1-176.462.30000112.1R148 E149R148-S152 PolarHBondContact NE-OG 2.96Å; R148-S152 PolarHBondContact NH2-O 3.09Å; R148-S152 PolarHBondContact NH2-OG 2.85Å; E149-S152 WeakPolarHBondContact O-CB 3.2Å; E149-S152 PolarHBondContact O-N 3.36Å; E149-S152 PolarHBondContact O-OG 2.9Å
153Q38.9Very low51.8Low171 Ų17165.2 Ų65.280%0.79934%0.335SS*.PPolyproline II helixtrans-64.3153.5-178.3-68-167.77.500113.4R148 R151R148-Q153 PolarHBondContact NH2-O 3.44Å; R151-Q153 PolarHBondContact O-N 2.87Å
154P44Very low52.6Low62 Ų6264.3 Ų64.340%0.40333%0.328SS..SBendtrans-63.5170.2177.6-16.933.1000112.1Y156 T175P154-Y156 HydrophobicContact CB-CD2 4.24Å; P154-Y156 HydrophobicContact CB-CE2 4.02Å; P154-Y156 HydrophobicContact CG-CE2 4.02Å; P154-T175 WeakPolarHBondContact CB-O 3.34Å; P154-T175 WeakPolarHBondContact CG-O 3.49Å
155P42.5Very low54Low112 Ų11264.7 Ų64.773%0.72733%0.33SS*.  cis-81.1176.88.833.4-37.1000114R148R148-P155 PolarHBondContact NH1-O 2.88Å
156Y46.5Very low55.6Low41 Ų4165.3 Ų65.316%0.16132%0.323CS..  trans-122.4145.5175.7-61.2-82.4000110.4F122 R148 P154 D158 T175 Y177F122-Y156 HydrophobicContact CZ-CE1 4.26Å; R148-Y156 VanDerWaalsContact CZ-CD1 3.48Å; R148-Y156 VanDerWaalsContact NH1-CD1 3.35Å; P154-Y156 HydrophobicContact CB-CD2 4.24Å; P154-Y156 HydrophobicContact CB-CE2 4.02Å; P154-Y156 HydrophobicContact CG-CE2 4.02Å; Y156-D158 PolarHBondContact O-N 3.41Å; Y156-T175 WeakPolarHBondContact CE2-O 3.23Å; Y156-Y177 VanDerWaalsContact CB-OH 3.32Å; Y156-Y177 WeakPolarHBondContact CB-OH 3.33Å; Y156-Y177 HydrophobicContact CD1-CE1 4.4Å; Y156-Y177 HydrophobicContact CD1-CE2 4.45Å; Y156-Y177 AromaticContact CD1-CZ 3.86Å; Y156-Y177 WeakPolarHBondContact CD1-OH 3.4Å; Y156-Y177 HydrophobicContact CD2-CD1 4.1Å; Y156-Y177 AromaticContact CD2-CE1 3.35Å; Y156-Y177 HydrophobicContact CD2-CE1 3.35Å; Y156-Y177 AromaticContact CD2-CZ 3.68Å; Y156-Y177 HydrophobicContact CE1-CE2 4.36Å; Y156-Y177 AromaticContact CE2-CD1 3.99Å; Y156-Y177 HydrophobicContact CE2-CD1 3.99Å; Y156-Y177 AromaticContact CE2-CE1 3.65Å; Y156-Y177 HydrophobicContact CE2-CE1 3.65Å; Y156-Y177 AromaticContact CE2-CZ 3.96Å; Y156-Y177 AromaticContact CG-CE1 3.78Å; Y156-Y177 HydrophobicContact CG-CE1 3.78Å; Y156-Y177 AromaticContact CG-CZ 3.62Å; Y156-Y177 PolarHBondContact OH-O 3.37Å
157T42.4Very low57.5Low92 Ų9264 Ų6456%0.56432%0.316SS*.  trans-66.4125.1-179.650.60000112.4
158D40.3Very low59.6Low118 Ų11863.8 Ų63.863%0.63131%0.314SS*.  trans-71.4147.7174.8-94.6-39.8000113.7Y156Y156-D158 PolarHBondContact O-N 3.41Å
159Y45.6Very low61.5Low127 Ų12763 Ų6350%0.49831%0.311SS..  trans44.887.9155-156.8-94.2000119.5R163 R166Y159-R163 PolarHBondContact OH-NH2 3.46Å; Y159-R166 VanDerWaalsContact CD2-NH2 3.3Å
160V41.5Very low63.2Low36 Ų3660.3 Ų60.322%0.21830%0.301CS..  trans-128.7-21.5179-164.20000115.7K633V160-K633 VanDerWaalsContact CG1-NZ 3.29Å; V160-K633 WeakPolarHBondContact O-CE 3.36Å
161S50.5Low65Low24 Ų2458.3 Ų58.317%0.16829%0.291CS..SBendtrans-152.6179.2-176.1-156.50000114.3K127 R163 R166 S632K127-S161 PolarHBondContact NZ-OG 3.12Å; S161-R163 PolarHBondContact O-N 3.17Å; S161-R166 PolarHBondContact O-NH2 2.98Å; S161-S632 PolarHBondContact OG-O 3.44Å
162T61Low67.5Low38 Ų3848.3 Ų48.323%0.23325%0.253CS..  trans-45.7123.4-177.8-52.50000112W164 Y165T162-W164 HydrophobicContact CG2-CB 4.41Å; T162-W164 HydrophobicContact CG2-CD2 3.77Å; T162-W164 HydrophobicContact CG2-CE3 3.85Å; T162-W164 HydrophobicContact CG2-CG 3.99Å; T162-Y165 HydrophobicContact CG2-CE2 4.25Å
163R80.4Confident69.8Low30 Ų3053.7 Ų53.711%0.11327%0.27CS..G310 helixtrans-85.9-6.5-168.468.5171.864.180-14.4116.2Y159 S161 Y165 R166 G202 S203 S204 M208Y159-R163 PolarHBondContact OH-NH2 3.46Å; S161-R163 PolarHBondContact O-N 3.17Å; R163-Y165 PolarHBondContact O-N 2.96Å; R163-Y165 VanDerWaalsContact O-N 3.1Å; R163-R166 HydrophobicContact CB-CG 4.46Å; R163-R166 WeakPolarHBondContact O-CB 3.33Å; R163-R166 PolarHBondContact O-N 3.06Å; R163-R166 VanDerWaalsContact O-N 3.1Å; R163-G202 WeakPolarHBondContact CD-O 3.26Å; R163-G202 WeakPolarHBondContact CG-O 3.45Å; R163-S203 VanDerWaalsContact CZ-O 3.32Å; R163-S203 PolarHBondContact NH1-O 3.38Å; R163-S204 WeakPolarHBondContact CD-O 3.38Å; R163-S204 VanDerWaalsContact NE-C 3.29Å; R163-M208 HydrophobicContact CG-CG 4.32Å
164W91.4Very high72.3Confident30 Ų3046.5 Ų46.511%0.11424%0.238CC..G310 helixtrans-65.6-14.2-168.7-56.9-22000115.5T162 P198 F200 P201 G202 M208 Y636T162-W164 HydrophobicContact CG2-CB 4.41Å; T162-W164 HydrophobicContact CG2-CD2 3.77Å; T162-W164 HydrophobicContact CG2-CE3 3.85Å; T162-W164 HydrophobicContact CG2-CG 3.99Å; W164-P198 HydrophobicContact CD2-CB 4.28Å; W164-P198 HydrophobicContact CE3-CB 3.68Å; W164-P198 HydrophobicContact CE3-CG 3.54Å; W164-P198 HydrophobicContact CH2-CG 4.31Å; W164-P198 HydrophobicContact CZ3-CB 4.08Å; W164-P198 HydrophobicContact CZ3-CG 3.44Å; W164-P198 VanDerWaalsContact CZ3-CG 3.44Å; W164-F200 WeakPolarHBondContact CB-O 3.32Å; W164-P201 HydrophobicContact CZ2-CB 4.34Å; W164-G202 VanDerWaalsContact CD1-N 3.27Å; W164-G202 PolarHBondContact NE1-O 3.08Å; W164-M208 VanDerWaalsContact O-CE 3.28Å; W164-M208 WeakPolarHBondContact O-CE 3.49Å; W164-Y636 AromaticContact CH2-CD1 3.45Å; W164-Y636 HydrophobicContact CH2-CD1 3.45Å; W164-Y636 VanDerWaalsContact CH2-CD1 3.45Å; W164-Y636 AromaticContact CH2-CD2 3.89Å; W164-Y636 HydrophobicContact CH2-CD2 3.89Å; W164-Y636 AromaticContact CH2-CE1 3.81Å; W164-Y636 HydrophobicContact CH2-CE1 3.81Å; W164-Y636 HydrophobicContact CH2-CE2 4.24Å; W164-Y636 AromaticContact CH2-CG 3.44Å; W164-Y636 HydrophobicContact CH2-CG 3.44Å; W164-Y636 VanDerWaalsContact CH2-CG 3.44Å; W164-Y636 HydrophobicContact CZ2-CD1 4.43Å; W164-Y636 HydrophobicContact CZ2-CG 4.27Å; W164-Y636 HydrophobicContact CZ3-CD1 4.07Å; W164-Y636 AromaticContact CZ3-CD2 3.87Å; W164-Y636 HydrophobicContact CZ3-CD2 3.87Å; W164-Y636 HydrophobicContact CZ3-CE1 4.06Å; W164-Y636 AromaticContact CZ3-CE2 3.9Å; W164-Y636 HydrophobicContact CZ3-CE2 3.9Å; W164-Y636 AromaticContact CZ3-CG 3.93Å; W164-Y636 HydrophobicContact CZ3-CG 3.93Å; W164-Y636 AromaticContact CZ3-CZ 3.95Å
165Y94.1Very high74.2Confident12 Ų1248.4 Ų48.45%0.04725%0.249CC..G310 helixtrans-110.92.2179.3-38.8-79.5000112.6M126 K127 P128 T162 R163 A185 C188 I189 E192M126-Y165 VanDerWaalsContact O-CB 3.29Å; M126-Y165 WeakPolarHBondContact O-CB 3.39Å; K127-Y165 HydrophobicContact CB-CD2 3.41Å; K127-Y165 VanDerWaalsContact CB-CD2 3.41Å; K127-Y165 HydrophobicContact CB-CE2 3.47Å; K127-Y165 VanDerWaalsContact CB-CE2 3.47Å; K127-Y165 HydrophobicContact CB-CG 4.15Å; P128-Y165 VanDerWaalsContact CD-OH 3.29Å; P128-Y165 WeakPolarHBondContact CD-OH 3.41Å; P128-Y165 HydrophobicContact CG-CE1 4.12Å; T162-Y165 HydrophobicContact CG2-CE2 4.25Å; R163-Y165 PolarHBondContact O-N 2.96Å; R163-Y165 VanDerWaalsContact O-N 3.1Å; Y165-A185 WeakPolarHBondContact O-CB 3.37Å; Y165-C188 HydrophobicContact CD1-CB 3.9Å; Y165-I189 HydrophobicContact CD1-CG1 4.07Å; Y165-I189 HydrophobicContact CE1-CG1 4.3Å; Y165-E192 PolarHBondContact OH-OE2 3.23Å
166R92.6Very high76.2Confident44 Ų4447.7 Ų47.717%0.16625%0.246CC..  trans-71.9132179.5-65.1-171.8-163171.411.9110.8Y159 S161 R163 L171 F184 E205 M208Y159-R166 VanDerWaalsContact CD2-NH2 3.3Å; S161-R166 PolarHBondContact O-NH2 2.98Å; R163-R166 HydrophobicContact CB-CG 4.46Å; R163-R166 WeakPolarHBondContact O-CB 3.33Å; R163-R166 PolarHBondContact O-N 3.06Å; R163-R166 VanDerWaalsContact O-N 3.1Å; R166-L171 HydrophobicContact CB-CD2 4.06Å; R166-L171 HydrophobicContact CB-CG 4.08Å; R166-F184 WeakPolarHBondContact O-CE1 3.46Å; R166-E205 IonicContact CZ-OE1 2.68Å; R166-E205 IonicContact NH1-OE1 2.9Å; R166-E205 PolarHBondContact NH1-OE1 3.31Å; R166-M208 VanDerWaalsContact O-CE 3.3Å; R166-M208 WeakPolarHBondContact O-CE 3.48Å
167A95.5Very high78Confident1 Ų147 Ų471%0.00824%0.244CC..  trans-65.815017500000112.5E169 V170 L171 V181 F184A167-E169 VanDerWaalsContact C-N 3.3Å; A167-E169 WeakPolarHBondContact CB-OE1 3.16Å; A167-E169 WeakPolarHBondContact CB-OE2 3.38Å; A167-E169 PolarHBondContact O-N 2.99Å; A167-V170 HydrophobicContact CB-CG2 4.39Å; A167-V170 WeakPolarHBondContact O-CB 3.3Å; A167-V170 PolarHBondContact O-N 2.94Å; A167-L171 PolarHBondContact O-N 3Å; A167-L171 VanDerWaalsContact O-N 3.13Å; A167-V181 HydrophobicContact CB-CB 4.08Å; A167-V181 HydrophobicContact CB-CG1 4.07Å; A167-F184 HydrophobicContact CB-CB 3.83Å; A167-F184 HydrophobicContact CB-CD1 4.07Å; A167-F184 HydrophobicContact CB-CG 3.89Å
168P95.6Very high80.3Confident0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-61-34-174.724.2-35.2000113.5V170 L171 L172 F184 I212 W224 W267P168-V170 PolarHBondContact O-N 3.29Å; P168-L171 PolarHBondContact O-N 2.91Å; P168-L172 WeakPolarHBondContact O-CB 3.37Å; P168-L172 WeakPolarHBondContact O-CG 3.48Å; P168-L172 PolarHBondContact O-N 3.5Å; P168-F184 HydrophobicContact CG-CE2 4.3Å; P168-I212 HydrophobicContact CB-CD1 4.09Å; P168-W224 HydrophobicContact CB-CH2 3.86Å; P168-W224 HydrophobicContact CB-CZ3 4.08Å; P168-W224 HydrophobicContact CG-CH2 4.18Å; P168-W224 HydrophobicContact CG-CZ3 4.41Å; P168-W267 HydrophobicContact CB-CE3 3.76Å; P168-W267 HydrophobicContact CB-CZ3 3.57Å; P168-W267 HydrophobicContact CG-CE3 3.85Å; P168-W267 HydrophobicContact CG-CZ3 4.15Å
169E95.1Very high82.8Confident6 Ų640.7 Ų40.73%0.02821%0.208CC..Hα-helixtrans-65.1-26.2174.368.3-83.7-161.200113.4A167 R173 S174 V181 W224 P269 R272A167-E169 VanDerWaalsContact C-N 3.3Å; A167-E169 WeakPolarHBondContact CB-OE1 3.16Å; A167-E169 WeakPolarHBondContact CB-OE2 3.38Å; A167-E169 PolarHBondContact O-N 2.99Å; E169-R173 PolarHBondContact O-N 2.85Å; E169-S174 WeakPolarHBondContact O-CB 3.44Å; E169-S174 PolarHBondContact O-N 3.35Å; E169-V181 HydrophobicContact CG-CG1 4.44Å; E169-V181 WeakPolarHBondContact OE1-CG1 3.4Å; E169-W224 HydrophobicContact CB-CH2 4.49Å; E169-W224 HydrophobicContact CB-CZ2 3.97Å; E169-P269 HydrophobicContact CG-CG 4.42Å; E169-R272 IonicContact OE1-CZ 3.84Å; E169-R272 IonicContact OE1-NH1 3.46Å; E169-R272 PolarHBondContact OE1-NH1 3.01Å; E169-R272 IonicContact OE1-NH2 2.83Å; E169-R272 IonicContact OE2-CZ 2.7Å; E169-R272 IonicContact OE2-NH1 3.85Å; E169-R272 PolarHBondContact OE2-NH1 3.45Å; E169-R272 IonicContact OE2-NH2 2.78Å; E169-R272 PolarHBondContact OE2-NH2 2.76Å
170V92.7Very high85.2Confident36 Ų3636.2 Ų36.222%0.21820%0.195CC..Hα-helixtrans-80.9-37.8174.7-176.30000110.5A167 P168 L172 R173 Y177 V181A167-V170 HydrophobicContact CB-CG2 4.39Å; A167-V170 WeakPolarHBondContact O-CB 3.3Å; A167-V170 PolarHBondContact O-N 2.94Å; P168-V170 PolarHBondContact O-N 3.29Å; V170-L172 VanDerWaalsContact C-N 3.31Å; V170-R173 PolarHBondContact O-N 3.08Å; V170-R173 VanDerWaalsContact O-N 3.11Å; V170-Y177 HydrophobicContact CG2-CD1 4.16Å; V170-Y177 HydrophobicContact CG2-CD2 4.13Å; V170-Y177 HydrophobicContact CG2-CE1 4.31Å; V170-Y177 HydrophobicContact CG2-CE2 4.27Å; V170-Y177 HydrophobicContact CG2-CG 4.06Å; V170-V181 HydrophobicContact CG2-CB 4.3Å; V170-V181 HydrophobicContact CG2-CG1 3.53Å
171L92.8Very high87.8Confident3 Ų335 Ų352%0.01619%0.187CC..Hα-helixtrans-65.9-34.6174.4-66.6167.4000112.1R166 A167 P168 R173 E205 M208 V209 I212R166-L171 HydrophobicContact CB-CD2 4.06Å; R166-L171 HydrophobicContact CB-CG 4.08Å; A167-L171 PolarHBondContact O-N 3Å; A167-L171 VanDerWaalsContact O-N 3.13Å; P168-L171 PolarHBondContact O-N 2.91Å; L171-R173 PolarHBondContact O-N 2.85Å; L171-E205 HydrophobicContact CD2-CB 4.29Å; L171-M208 HydrophobicContact CD1-CB 3.89Å; L171-M208 HydrophobicContact CD1-CE 4.06Å; L171-M208 HydrophobicContact CD1-CG 3.79Å; L171-M208 HydrophobicContact CD1-SD 3.57Å; L171-M208 VanDerWaalsContact CD1-SD 3.57Å; L171-M208 HydrophobicContact CD2-CB 4.11Å; L171-M208 HydrophobicContact CD2-CG 4.3Å; L171-V209 HydrophobicContact CB-CG2 3.79Å; L171-V209 HydrophobicContact CD1-CG2 4.02Å; L171-I212 HydrophobicContact CD1-CD1 3.96Å
172L93.1Very high90Very high4 Ų433.9 Ų33.92%0.02118%0.18CC..THydrogen-bonded Turntrans-86.219.2172-58.5176.8000113.1P168 V170 S174 V209 W224 L230 A231 M234 F236 F238P168-L172 WeakPolarHBondContact O-CB 3.37Å; P168-L172 WeakPolarHBondContact O-CG 3.48Å; P168-L172 PolarHBondContact O-N 3.5Å; V170-L172 VanDerWaalsContact C-N 3.31Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 2.91Å; L172-S174 VanDerWaalsContact O-N 3.15Å; L172-V209 HydrophobicContact CD2-CG2 4.4Å; L172-W224 HydrophobicContact CD1-CH2 3.69Å; L172-W224 HydrophobicContact CD1-CZ3 3.98Å; L172-L230 HydrophobicContact CB-CB 3.82Å; L172-L230 HydrophobicContact CB-CD1 4.4Å; L172-L230 HydrophobicContact CD1-CB 4.48Å; L172-A231 HydrophobicContact CD1-CB 4.48Å; L172-A231 HydrophobicContact CD2-CB 4.38Å; L172-M234 VanDerWaalsContact CA-SD 3.58Å; L172-M234 HydrophobicContact CB-SD 4.48Å; L172-F236 HydrophobicContact CD2-CD1 3.95Å; L172-F236 HydrophobicContact CD2-CE1 4.38Å; L172-F238 HydrophobicContact CD1-CE1 4.03Å; L172-F238 HydrophobicContact CD1-CZ 3.62Å
173R90.1Very high91.8Very high141 Ų14132.2 Ų32.253%0.53217%0.169SC..THydrogen-bonded Turntrans53.637.4170-57.5-178.1-179.5-172.5-4.3114.7E169 V170 L171 T175 E205 M234E169-R173 PolarHBondContact O-N 2.85Å; V170-R173 PolarHBondContact O-N 3.08Å; V170-R173 VanDerWaalsContact O-N 3.11Å; L171-R173 PolarHBondContact O-N 2.85Å; R173-T175 PolarHBondContact O-N 3.19Å; R173-E205 IonicContact CZ-OE2 2.96Å; R173-E205 IonicContact NE-OE2 2.81Å; R173-E205 IonicContact NH2-OE2 2.73Å; R173-E205 PolarHBondContact NH2-OE2 2.81Å; R173-M234 HydrophobicContact CB-SD 3.94Å; R173-M234 HydrophobicContact CG-CE 4.02Å; R173-M234 HydrophobicContact CG-SD 3.76Å
174S90.2Very high92.6Very high19 Ų1930.8 Ų30.813%0.13316%0.164CC..  trans-55.9127.3171.2-172.50000110.3E169 L172 S176 Y177E169-S174 WeakPolarHBondContact O-CB 3.44Å; E169-S174 PolarHBondContact O-N 3.35Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 2.91Å; L172-S174 VanDerWaalsContact O-N 3.15Å; S174-S176 PolarHBondContact O-N 3Å; S174-S176 PolarHBondContact OG-N 3.45Å; S174-S176 VanDerWaalsContact OG-N 3.1Å; S174-S176 PolarHBondContact OG-O 3.43Å; S174-Y177 WeakPolarHBondContact O-CD1 3.47Å
175T84.7Confident92.9Very high103 Ų10329.5 Ų29.563%0.63216%0.159SC*.SBendtrans-70.4-22.8167.653.30000111.3P154 Y156 R173P154-T175 WeakPolarHBondContact CB-O 3.34Å; P154-T175 WeakPolarHBondContact CG-O 3.49Å; Y156-T175 WeakPolarHBondContact CE2-O 3.23Å; R173-T175 PolarHBondContact O-N 3.19Å
176S83.7Confident93.1Very high96 Ų9628.9 Ų28.967%0.67116%0.157SC*.  trans-114.3101.6179.8177.90000111S174S174-S176 PolarHBondContact O-N 3Å; S174-S176 PolarHBondContact OG-N 3.45Å; S174-S176 VanDerWaalsContact OG-N 3.1Å; S174-S176 PolarHBondContact OG-O 3.43Å
177Y85.2Confident93.4Very high28 Ų2826.8 Ų26.811%0.1115%0.149CC..  trans-142162.8169.167.5-98.2000110.6F122 R124 Y156 V170 S174 V181F122-Y177 AromaticContact CE2-CD2 3.95Å; F122-Y177 HydrophobicContact CE2-CD2 3.95Å; F122-Y177 AromaticContact CE2-CE2 3.93Å; F122-Y177 HydrophobicContact CE2-CE2 3.93Å; F122-Y177 HydrophobicContact CZ-CE2 4.45Å; R124-Y177 HydrophobicContact CG-CE2 4.43Å; R124-Y177 PolarHBondContact NH1-OH 3.37Å; R124-Y177 VanDerWaalsContact NH1-OH 3.12Å; Y156-Y177 VanDerWaalsContact CB-OH 3.32Å; Y156-Y177 WeakPolarHBondContact CB-OH 3.33Å; Y156-Y177 HydrophobicContact CD1-CE1 4.4Å; Y156-Y177 HydrophobicContact CD1-CE2 4.45Å; Y156-Y177 AromaticContact CD1-CZ 3.86Å; Y156-Y177 WeakPolarHBondContact CD1-OH 3.4Å; Y156-Y177 HydrophobicContact CD2-CD1 4.1Å; Y156-Y177 AromaticContact CD2-CE1 3.35Å; Y156-Y177 HydrophobicContact CD2-CE1 3.35Å; Y156-Y177 AromaticContact CD2-CZ 3.68Å; Y156-Y177 HydrophobicContact CE1-CE2 4.36Å; Y156-Y177 AromaticContact CE2-CD1 3.99Å; Y156-Y177 HydrophobicContact CE2-CD1 3.99Å; Y156-Y177 AromaticContact CE2-CE1 3.65Å; Y156-Y177 HydrophobicContact CE2-CE1 3.65Å; Y156-Y177 AromaticContact CE2-CZ 3.96Å; Y156-Y177 AromaticContact CG-CE1 3.78Å; Y156-Y177 HydrophobicContact CG-CE1 3.78Å; Y156-Y177 AromaticContact CG-CZ 3.62Å; Y156-Y177 PolarHBondContact OH-O 3.37Å; V170-Y177 HydrophobicContact CG2-CD1 4.16Å; V170-Y177 HydrophobicContact CG2-CD2 4.13Å; V170-Y177 HydrophobicContact CG2-CE1 4.31Å; V170-Y177 HydrophobicContact CG2-CE2 4.27Å; V170-Y177 HydrophobicContact CG2-CG 4.06Å; S174-Y177 WeakPolarHBondContact O-CD1 3.47Å; Y177-V181 HydrophobicContact CD2-CG1 3.58Å; Y177-V181 HydrophobicContact CD2-CG2 4.3Å; Y177-V181 HydrophobicContact CE2-CG1 4.36Å; Y177-V181 HydrophobicContact CG-CG1 4.09Å
178N89.7Confident93.5Very high53 Ų5326.8 Ų26.828%0.28315%0.149SC..  trans-149.5-160.6-172.7-143.5-49.2000110.9I150 P180 V181I150-N178 WeakPolarHBondContact CG1-OD1 3.33Å; I150-N178 WeakPolarHBondContact CG2-OD1 3.44Å; I150-N178 PolarHBondContact O-ND2 3.03Å; N178-P180 VanDerWaalsContact C-N 3.28Å; N178-P180 VanDerWaalsContact O-CD 3.32Å; N178-P180 WeakPolarHBondContact O-CD 3.38Å; N178-V181 WeakPolarHBondContact O-CG1 3.45Å; N178-V181 WeakPolarHBondContact O-CG2 3.47Å; N178-V181 PolarHBondContact O-N 3.04Å; N178-V181 VanDerWaalsContact O-N 3.11Å
179S93.7Very high93.6Very high23 Ų2326.9 Ų26.916%0.16115%0.149CC..THydrogen-bonded Turntrans-45.5-28.5179.753.50000118V181 D182 L183S179-V181 PolarHBondContact O-N 3.31Å; S179-D182 WeakPolarHBondContact O-CB 3.17Å; S179-D182 PolarHBondContact O-N 3.01Å; S179-L183 VanDerWaalsContact O-CD2 3.29Å; S179-L183 WeakPolarHBondContact O-CD2 3.04Å
180P96.4Very high93.8Very high34 Ų3426.6 Ų26.622%0.22115%0.148CC..Hα-helixtrans-57.2-14.8173.3-28.838000116N178 F184 P269 R272N178-P180 VanDerWaalsContact C-N 3.28Å; N178-P180 VanDerWaalsContact O-CD 3.32Å; N178-P180 WeakPolarHBondContact O-CD 3.38Å; P180-F184 PolarHBondContact O-N 2.94Å; P180-P269 HydrophobicContact CB-CB 3.86Å; P180-P269 HydrophobicContact CG-CB 4.5Å; P180-R272 WeakPolarHBondContact O-CD 3.42Å; P180-R272 PolarHBondContact O-NH1 3.44Å
181V95.6Very high94Very high10 Ų1024.9 Ų24.96%0.06114%0.138CC..Hα-helixtrans-68.8-34.3171.8-54.90000112.5F122 A167 E169 V170 Y177 N178 S179 L183 A185F122-V181 HydrophobicContact CD2-CG2 4.13Å; F122-V181 HydrophobicContact CE2-CG2 4.34Å; A167-V181 HydrophobicContact CB-CB 4.08Å; A167-V181 HydrophobicContact CB-CG1 4.07Å; E169-V181 HydrophobicContact CG-CG1 4.44Å; E169-V181 WeakPolarHBondContact OE1-CG1 3.4Å; V170-V181 HydrophobicContact CG2-CB 4.3Å; V170-V181 HydrophobicContact CG2-CG1 3.53Å; Y177-V181 HydrophobicContact CD2-CG1 3.58Å; Y177-V181 HydrophobicContact CD2-CG2 4.3Å; Y177-V181 HydrophobicContact CE2-CG1 4.36Å; Y177-V181 HydrophobicContact CG-CG1 4.09Å; N178-V181 WeakPolarHBondContact O-CG1 3.45Å; N178-V181 WeakPolarHBondContact O-CG2 3.47Å; N178-V181 PolarHBondContact O-N 3.04Å; N178-V181 VanDerWaalsContact O-N 3.11Å; S179-V181 PolarHBondContact O-N 3.31Å; V181-L183 VanDerWaalsContact C-N 3.32Å; V181-A185 PolarHBondContact O-N 2.96Å
182D96.6Very high94.2Very high1 Ų125 Ų251%0.00514%0.138CC..Hα-helixtrans-68.9-35.5178.4-64-20.9000110.2L113 H117 H123 R124 M126 S179 A185 V186L113-D182 HydrophobicContact CD1-CB 4.11Å; L113-D182 HydrophobicContact CD2-CB 4.01Å; H117-D182 IonicContact CD2-OD2 2.79Å; H117-D182 IonicContact CE1-OD2 2.66Å; H117-D182 IonicContact NE2-OD2 3.48Å; H117-D182 PolarHBondContact NE2-OD2 2.94Å; H123-D182 PolarHBondContact N-OD1 2.82Å; H123-D182 PolarHBondContact N-OD2 2.78Å; R124-D182 PolarHBondContact N-OD1 2.82Å; M126-D182 HydrophobicContact CG-CB 4Å; S179-D182 WeakPolarHBondContact O-CB 3.17Å; S179-D182 PolarHBondContact O-N 3.01Å; D182-A185 WeakPolarHBondContact O-CB 3.18Å; D182-A185 PolarHBondContact O-N 2.79Å; D182-V186 WeakPolarHBondContact O-CG2 3.29Å; D182-V186 PolarHBondContact O-N 3.28Å
183L98.4Very high94.4Very high2 Ų224.8 Ų24.81%0.0114%0.137CC..Hα-helixtrans-71.5-39.4-178.1-74.8-51.5000112.1L110 S179 V181 A185 V186 G187 L264 P273 A275L110-L183 HydrophobicContact CD2-CD1 3.68Å; S179-L183 VanDerWaalsContact O-CD2 3.29Å; S179-L183 WeakPolarHBondContact O-CD2 3.04Å; V181-L183 VanDerWaalsContact C-N 3.32Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.75Å; L183-V186 PolarHBondContact O-N 2.72Å; L183-G187 PolarHBondContact O-N 2.76Å; L183-L264 HydrophobicContact CB-CD2 3.87Å; L183-L264 HydrophobicContact CD1-CD2 3.85Å; L183-L264 HydrophobicContact CG-CD2 4.25Å; L183-P273 WeakPolarHBondContact CG-O 3.07Å; L183-A275 HydrophobicContact CD1-CB 4.15Å
184F98.3Very high94.7Very high0 Ų018.2 Ų18.20%011%0.113CC..Hα-helixtrans-57-45.9171.2-176.7-85.4000111.2R166 A167 P168 P180 V186 G187 C188 F200 M208 I212 L264 I265R166-F184 WeakPolarHBondContact O-CE1 3.46Å; A167-F184 HydrophobicContact CB-CB 3.83Å; A167-F184 HydrophobicContact CB-CD1 4.07Å; A167-F184 HydrophobicContact CB-CG 3.89Å; P168-F184 HydrophobicContact CG-CE2 4.3Å; P180-F184 PolarHBondContact O-N 2.94Å; F184-V186 PolarHBondContact O-N 2.98Å; F184-G187 PolarHBondContact O-N 2.91Å; F184-G187 VanDerWaalsContact O-N 3.16Å; F184-C188 PolarHBondContact O-N 2.92Å; F184-C188 VanDerWaalsContact O-N 3.1Å; F184-F200 HydrophobicContact CE1-CD2 4.3Å; F184-F200 HydrophobicContact CE1-CE2 4.25Å; F184-F200 HydrophobicContact CZ-CD2 4.09Å; F184-F200 AromaticContact CZ-CE2 3.69Å; F184-F200 HydrophobicContact CZ-CE2 3.69Å; F184-M208 HydrophobicContact CE1-CE 4.27Å; F184-I212 HydrophobicContact CZ-CD1 3.83Å; F184-I212 HydrophobicContact CZ-CG1 4.25Å; F184-L264 WeakPolarHBondContact CA-O 3.49Å; F184-I265 HydrophobicContact CD2-CB 4.11Å; F184-I265 HydrophobicContact CE2-CB 3.97Å; F184-I265 WeakPolarHBondContact CE2-O 3.49Å
185A97.3Very high94.9Very high3 Ų319 Ų193%0.02512%0.116CC..Hα-helixtrans-61.7-40.1176.500000112.6M126 Y165 V181 D182 L183 G187 C188 I189M126-A185 HydrophobicContact CB-CB 3.45Å; M126-A185 VanDerWaalsContact CB-CB 3.45Å; M126-A185 HydrophobicContact CG-CB 4.47Å; Y165-A185 WeakPolarHBondContact O-CB 3.37Å; V181-A185 PolarHBondContact O-N 2.96Å; D182-A185 WeakPolarHBondContact O-CB 3.18Å; D182-A185 PolarHBondContact O-N 2.79Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.75Å; A185-G187 VanDerWaalsContact C-N 3.32Å; A185-G187 PolarHBondContact O-N 2.91Å; A185-C188 WeakPolarHBondContact O-CB 3.49Å; A185-C188 PolarHBondContact O-N 2.6Å; A185-I189 WeakPolarHBondContact O-CD1 3.46Å; A185-I189 WeakPolarHBondContact O-CG1 3.39Å; A185-I189 PolarHBondContact O-N 3.2Å
186V98.5Very high95.3Very high0 Ų016.2 Ų16.20%010%0.096CC..Hα-helixtrans-61.5-39.4173.5174.80000111.8I106 V109 L110 L113 M126 D182 L183 F184 I189 M190 L264I106-V186 HydrophobicContact CD1-CG1 4.33Å; I106-V186 HydrophobicContact CG2-CG1 3.98Å; V109-V186 HydrophobicContact CG1-CG1 4.4Å; V109-V186 HydrophobicContact CG1-CG2 3.66Å; L110-V186 HydrophobicContact CD2-CG1 4.1Å; L110-V186 HydrophobicContact CG-CG1 4.35Å; L113-V186 HydrophobicContact CD1-CG2 3.54Å; M126-V186 HydrophobicContact CE-CG2 3.99Å; D182-V186 WeakPolarHBondContact O-CG2 3.29Å; D182-V186 PolarHBondContact O-N 3.28Å; L183-V186 PolarHBondContact O-N 2.72Å; F184-V186 PolarHBondContact O-N 2.98Å; V186-I189 PolarHBondContact O-N 3.12Å; V186-M190 WeakPolarHBondContact O-CB 3.41Å; V186-M190 PolarHBondContact O-N 3.2Å; V186-L264 HydrophobicContact CG1-CD1 4.11Å
187G98.4Very high95.7Very high0 Ų020.9 Ų20.90%010%0.099CC..Hα-helixtrans-60-44.6173.800000112.7L183 F184 A185 M190 A191L183-G187 PolarHBondContact O-N 2.76Å; F184-G187 PolarHBondContact O-N 2.91Å; F184-G187 VanDerWaalsContact O-N 3.16Å; A185-G187 VanDerWaalsContact C-N 3.32Å; A185-G187 PolarHBondContact O-N 2.91Å; G187-M190 PolarHBondContact O-N 3.28Å; G187-A191 PolarHBondContact O-N 3.11Å; G187-A191 VanDerWaalsContact O-N 3.08Å
188C98Very high96Very high1 Ų121 Ų211%0.00710%0.102CC..Hα-helixtrans-62.2-43.5173.6-64.20000112.8Y165 F184 A185 A191 E192 F200Y165-C188 HydrophobicContact CD1-CB 3.9Å; F184-C188 PolarHBondContact O-N 2.92Å; F184-C188 VanDerWaalsContact O-N 3.1Å; A185-C188 WeakPolarHBondContact O-CB 3.49Å; A185-C188 PolarHBondContact O-N 2.6Å; C188-A191 PolarHBondContact O-N 3.25Å; C188-E192 PolarHBondContact O-N 3.27Å; C188-F200 VanDerWaalsContact SG-CD2 3.54Å
189I97.8Very high96.3Very high1 Ų119.8 Ų19.81%0.00510%0.096CC..Hα-helixtrans-64.5-40.9178.3-67.5164.3000110.8L86 I106 M126 P128 L131 Y165 A185 V186 E192 L193L86-I189 HydrophobicContact CD2-CG2 3.9Å; I106-I189 HydrophobicContact CD1-CG2 4.41Å; M126-I189 HydrophobicContact CB-CD1 4.48Å; M126-I189 HydrophobicContact CE-CD1 4.41Å; P128-I189 HydrophobicContact CG-CG1 4.12Å; L131-I189 HydrophobicContact CD1-CD1 4.08Å; L131-I189 HydrophobicContact CD1-CG2 4.04Å; Y165-I189 HydrophobicContact CD1-CG1 4.07Å; Y165-I189 HydrophobicContact CE1-CG1 4.3Å; A185-I189 WeakPolarHBondContact O-CD1 3.46Å; A185-I189 WeakPolarHBondContact O-CG1 3.39Å; A185-I189 PolarHBondContact O-N 3.2Å; V186-I189 PolarHBondContact O-N 3.12Å; I189-E192 PolarHBondContact O-N 3.35Å; I189-L193 HydrophobicContact CG2-CD1 4.49Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 2.78Å
190M98.4Very high96.4Very high0 Ų018.7 Ų18.70%09%0.088CC..Hα-helixtrans-63.1-42.2176.7-176.6170.1170.700111.6I102 I106 V186 G187 L193 Y194 L260 I261 Y283I102-M190 HydrophobicContact CG2-CG 4.38Å; I106-M190 HydrophobicContact CD1-CB 3.8Å; I106-M190 HydrophobicContact CD1-CG 4.31Å; I106-M190 HydrophobicContact CG1-CB 3.98Å; I106-M190 HydrophobicContact CG1-CG 3.92Å; I106-M190 HydrophobicContact CG1-SD 4.22Å; I106-M190 HydrophobicContact CG2-SD 4.15Å; V186-M190 WeakPolarHBondContact O-CB 3.41Å; V186-M190 PolarHBondContact O-N 3.2Å; G187-M190 PolarHBondContact O-N 3.28Å; M190-L193 PolarHBondContact O-N 2.8Å; M190-Y194 HydrophobicContact CE-CE2 3.85Å; M190-Y194 HydrophobicContact CG-CD2 4.45Å; M190-Y194 HydrophobicContact CG-CE2 4.27Å; M190-Y194 WeakPolarHBondContact O-CD2 3.35Å; M190-Y194 PolarHBondContact O-N 2.95Å; M190-L260 HydrophobicContact CE-CB 4.46Å; M190-L260 HydrophobicContact CE-CD2 4.03Å; M190-L260 HydrophobicContact CE-CG 4.47Å; M190-L260 HydrophobicContact SD-CD2 3.88Å; M190-L260 HydrophobicContact SD-CG 4.14Å; M190-I261 HydrophobicContact CB-CG1 4.1Å; M190-I261 HydrophobicContact CE-CD1 4.23Å; M190-I261 HydrophobicContact CE-CG1 3.96Å; M190-I261 HydrophobicContact CG-CD1 3.95Å; M190-I261 HydrophobicContact CG-CG1 3.69Å; M190-I261 HydrophobicContact SD-CD1 4.39Å; M190-I261 HydrophobicContact SD-CG1 3.68Å; M190-Y283 HydrophobicContact CE-CD1 4.17Å; M190-Y283 HydrophobicContact CE-CE1 3.57Å; M190-Y283 HydrophobicContact CE-CE2 4.1Å
191A97.8Very high96.2Very high1 Ų120.2 Ų20.21%0.00810%0.098CC..Hα-helixtrans-63.5-38.817400000112.9G187 C188 Y194 T195 L199 I250 I261G187-A191 PolarHBondContact O-N 3.11Å; G187-A191 VanDerWaalsContact O-N 3.08Å; C188-A191 PolarHBondContact O-N 3.25Å; A191-Y194 PolarHBondContact O-N 3.08Å; A191-T195 WeakPolarHBondContact O-CG2 3.35Å; A191-T195 PolarHBondContact O-N 3.34Å; A191-T195 PolarHBondContact O-OG1 3.2Å; A191-L199 HydrophobicContact CB-CB 4.05Å; A191-L199 HydrophobicContact CB-CD1 4.3Å; A191-L199 HydrophobicContact CB-CD2 3.86Å; A191-L199 HydrophobicContact CB-CG 4.29Å; A191-I250 HydrophobicContact CB-CD1 3.58Å; A191-I261 HydrophobicContact CB-CD1 4.49Å; A191-I261 HydrophobicContact CB-CG2 4.44Å
192E96.5Very high95.9Very high4 Ų419.7 Ų19.72%0.01910%0.095CC..Hα-helixtrans-68.1-33.1176.2-174.1167.4179.400112.5I90 Y165 C188 I189 Y194 T195 F196I90-E192 HydrophobicContact CD1-CG 4.32Å; Y165-E192 PolarHBondContact OH-OE2 3.23Å; C188-E192 PolarHBondContact O-N 3.27Å; I189-E192 PolarHBondContact O-N 3.35Å; E192-Y194 VanDerWaalsContact C-N 3.34Å; E192-Y194 PolarHBondContact O-N 3.28Å; E192-T195 PolarHBondContact O-N 3.49Å; E192-F196 VanDerWaalsContact O-CA 3.24Å; E192-F196 WeakPolarHBondContact O-CA 3.31Å; E192-F196 PolarHBondContact O-N 2.94Å
193L97Very high95.5Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-64.1-34.1174.4-74.2171000113.7L86 I90 F97 I102 I105 I106 I189 M190L86-L193 HydrophobicContact CD1-CD2 3.91Å; L86-L193 HydrophobicContact CD2-CD1 4.28Å; L86-L193 HydrophobicContact CD2-CD2 4.05Å; L86-L193 HydrophobicContact CD2-CG 4.44Å; L86-L193 HydrophobicContact CG-CD2 4.02Å; I90-L193 HydrophobicContact CD1-CD2 3.91Å; I90-L193 HydrophobicContact CG1-CD2 3.96Å; F97-L193 HydrophobicContact CD2-CD2 3.88Å; F97-L193 HydrophobicContact CE2-CD2 3.58Å; I102-L193 HydrophobicContact CD1-CB 4.18Å; I102-L193 HydrophobicContact CG1-CB 4.14Å; I102-L193 HydrophobicContact CG2-CB 4.01Å; I102-L193 HydrophobicContact CG2-CD1 4.06Å; I105-L193 HydrophobicContact CB-CD1 4.28Å; I105-L193 HydrophobicContact CD1-CD2 4.36Å; I105-L193 HydrophobicContact CG2-CD1 3.67Å; I106-L193 HydrophobicContact CD1-CD1 3.78Å; I106-L193 HydrophobicContact CG1-CD1 4.08Å; I189-L193 HydrophobicContact CG2-CD1 4.49Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 2.78Å; M190-L193 PolarHBondContact O-N 2.8Å
194Y97.2Very high95Very high4 Ų425.7 Ų25.72%0.01614%0.137CC..Hα-helixtrans-78.8-21.4177.1-83.4-75.3000114E99 I102 M190 A191 E192 I250 N252 A253 I261 Y283E99-Y194 HydrophobicContact CG-CE1 4.43Å; E99-Y194 WeakPolarHBondContact CG-OH 3.11Å; E99-Y194 PolarHBondContact OE2-OH 2.89Å; I102-Y194 HydrophobicContact CD1-CD1 3.39Å; I102-Y194 HydrophobicContact CD1-CD2 3.91Å; I102-Y194 HydrophobicContact CD1-CE1 3.65Å; I102-Y194 HydrophobicContact CD1-CE2 4.13Å; I102-Y194 HydrophobicContact CD1-CG 3.55Å; I102-Y194 HydrophobicContact CG2-CD2 4.23Å; I102-Y194 HydrophobicContact CG2-CE2 3.92Å; M190-Y194 HydrophobicContact CE-CE2 3.85Å; M190-Y194 HydrophobicContact CG-CD2 4.45Å; M190-Y194 HydrophobicContact CG-CE2 4.27Å; M190-Y194 WeakPolarHBondContact O-CD2 3.35Å; M190-Y194 PolarHBondContact O-N 2.95Å; A191-Y194 PolarHBondContact O-N 3.08Å; E192-Y194 VanDerWaalsContact C-N 3.34Å; E192-Y194 PolarHBondContact O-N 3.28Å; Y194-I250 HydrophobicContact CD1-CG2 4.45Å; Y194-I250 HydrophobicContact CD2-CG2 4.1Å; Y194-I250 HydrophobicContact CG-CG2 3.78Å; Y194-N252 HydrophobicContact CD1-CB 4.29Å; Y194-N252 VanDerWaalsContact CE1-O 3.3Å; Y194-N252 WeakPolarHBondContact CE1-O 3.37Å; Y194-A253 HydrophobicContact CD1-CB 3.85Å; Y194-A253 HydrophobicContact CD2-CB 4Å; Y194-A253 HydrophobicContact CE1-CB 3.53Å; Y194-A253 HydrophobicContact CE2-CB 3.7Å; Y194-A253 HydrophobicContact CG-CB 4.07Å; Y194-A253 VanDerWaalsContact CZ-CB 3.43Å; Y194-I261 HydrophobicContact CD2-CD1 4.3Å; Y194-I261 HydrophobicContact CE2-CD1 4.4Å; Y194-Y283 WeakPolarHBondContact OH-CE2 3.38Å; Y194-Y283 PolarHBondContact OH-OH 3.36Å
195T94.6Very high94.6Very high34 Ų3427.1 Ų27.121%0.20914%0.144CC..Hα-helixtrans-123.2-15-167.2600000114.7A191 E192 R197 I250A191-T195 WeakPolarHBondContact O-CG2 3.35Å; A191-T195 PolarHBondContact O-N 3.34Å; A191-T195 PolarHBondContact O-OG1 3.2Å; E192-T195 PolarHBondContact O-N 3.49Å; T195-R197 PolarHBondContact O-N 3.34Å; T195-R197 PolarHBondContact OG1-N 3.26Å; T195-R197 PolarHBondContact OG1-O 3.13Å; T195-R197 VanDerWaalsContact OG1-O 3.06Å; T195-I250 HydrophobicContact CG2-CB 4.49Å; T195-I250 HydrophobicContact CG2-CG1 4.21Å; T195-I250 HydrophobicContact CG2-CG2 4.18Å
196F92.8Very high94.3Very high46 Ų4631.5 Ų31.520%0.20217%0.166CC..SBendtrans53.325.6-168.2-65.50.2000113.6I90 R93 R95 L96 F97 E192I90-F196 HydrophobicContact CG2-CB 4.03Å; I90-F196 HydrophobicContact CG2-CD1 3.85Å; I90-F196 HydrophobicContact CG2-CE1 4.44Å; I90-F196 HydrophobicContact CG2-CG 3.9Å; R93-F196 HydrophobicContact CB-CE2 3.7Å; R93-F196 HydrophobicContact CB-CZ 3.92Å; R95-F196 WeakPolarHBondContact O-CZ 3.48Å; L96-F196 HydrophobicContact CD2-CB 4.37Å; L96-F196 HydrophobicContact CD2-CD1 3.8Å; L96-F196 HydrophobicContact CD2-CD2 3.88Å; L96-F196 HydrophobicContact CD2-CE1 4.02Å; L96-F196 HydrophobicContact CD2-CE2 4.1Å; L96-F196 HydrophobicContact CD2-CG 3.73Å; L96-F196 HydrophobicContact CD2-CZ 4.18Å; F97-F196 AromaticContact CD2-CE1 3.62Å; F97-F196 HydrophobicContact CD2-CE1 3.62Å; F97-F196 HydrophobicContact CD2-CZ 4.14Å; F97-F196 AromaticContact CE2-CE1 3.68Å; F97-F196 HydrophobicContact CE2-CE1 3.68Å; F97-F196 HydrophobicContact CE2-CZ 4.1Å; E192-F196 VanDerWaalsContact O-CA 3.24Å; E192-F196 WeakPolarHBondContact O-CA 3.31Å; E192-F196 PolarHBondContact O-N 2.94Å
197R91.1Very high94Very high194 Ų19433 Ų3373%0.73217%0.174SC*.SBendtrans-136.5132.5179.6-66.8177.4178.8138.1-2.4109.8T195 L199T195-R197 PolarHBondContact O-N 3.34Å; T195-R197 PolarHBondContact OG1-N 3.26Å; T195-R197 PolarHBondContact OG1-O 3.13Å; T195-R197 VanDerWaalsContact OG1-O 3.06Å; R197-L199 PolarHBondContact O-N 2.97Å
198P93Very high93.8Very high29 Ų2933 Ų3319%0.18817%0.174CC..  trans-59132.7175.2-21.930.1000111.3W164 F200W164-P198 HydrophobicContact CD2-CB 4.28Å; W164-P198 HydrophobicContact CE3-CB 3.68Å; W164-P198 HydrophobicContact CE3-CG 3.54Å; W164-P198 HydrophobicContact CH2-CG 4.31Å; W164-P198 HydrophobicContact CZ3-CB 4.08Å; W164-P198 HydrophobicContact CZ3-CG 3.44Å; W164-P198 VanDerWaalsContact CZ3-CG 3.44Å; P198-F200 PolarHBondContact O-N 3.1Å
199L96.1Very high93.6Very high28 Ų2833.1 Ų33.115%0.14718%0.175CC..SBendtrans-65.1-36.1-177.4-174.564000112.9A191 R197 P201 L246 I265A191-L199 HydrophobicContact CB-CB 4.05Å; A191-L199 HydrophobicContact CB-CD1 4.3Å; A191-L199 HydrophobicContact CB-CD2 3.86Å; A191-L199 HydrophobicContact CB-CG 4.29Å; R197-L199 PolarHBondContact O-N 2.97Å; L199-P201 WeakPolarHBondContact O-CD 3.42Å; L199-L246 HydrophobicContact CD1-CD1 4.45Å; L199-I265 HydrophobicContact CD2-CD1 3.96Å
200F95.6Very high93.5Very high1 Ų137.3 Ų37.30%0.00419%0.193CC..  trans-126.674.9-177.2-55.4-50000112.3W164 F184 C188 P198 G202 M208 K211 I212 V215 I265W164-F200 WeakPolarHBondContact CB-O 3.32Å; F184-F200 HydrophobicContact CE1-CD2 4.3Å; F184-F200 HydrophobicContact CE1-CE2 4.25Å; F184-F200 HydrophobicContact CZ-CD2 4.09Å; F184-F200 AromaticContact CZ-CE2 3.69Å; F184-F200 HydrophobicContact CZ-CE2 3.69Å; C188-F200 VanDerWaalsContact SG-CD2 3.54Å; P198-F200 PolarHBondContact O-N 3.1Å; F200-G202 PolarHBondContact O-N 3.1Å; F200-M208 HydrophobicContact CB-CE 3.77Å; F200-M208 HydrophobicContact CB-SD 3.83Å; F200-M208 HydrophobicContact CD2-CE 4.06Å; F200-M208 HydrophobicContact CG-CE 4.28Å; F200-M208 HydrophobicContact CG-SD 4.42Å; F200-K211 HydrophobicContact CB-CB 4.12Å; F200-K211 HydrophobicContact CD1-CB 4.18Å; F200-I212 HydrophobicContact CD1-CG1 4.22Å; F200-I212 HydrophobicContact CD2-CG1 4.05Å; F200-I212 HydrophobicContact CE1-CB 4.42Å; F200-I212 HydrophobicContact CE1-CG1 4.35Å; F200-I212 HydrophobicContact CE2-CG1 4.18Å; F200-I212 HydrophobicContact CG-CG1 4.08Å; F200-I212 HydrophobicContact CZ-CG1 4.33Å; F200-I212 HydrophobicContact CZ-CG2 4.33Å; F200-V215 HydrophobicContact CE1-CB 3.94Å; F200-V215 HydrophobicContact CE1-CG1 4.47Å; F200-V215 HydrophobicContact CE1-CG2 3.94Å; F200-I265 HydrophobicContact CZ-CD1 4.38Å
201P91.5Very high93.4Very high65 Ų6540.3 Ų40.342%0.42221%0.206SC..  trans-76.958.1-175.733.3-36.2000112.8W164 L199W164-P201 HydrophobicContact CZ2-CB 4.34Å; L199-P201 WeakPolarHBondContact O-CD 3.42Å
202G90.2Very high93.4Very high0 Ų040.3 Ų40.30%021%0.206CC..  trans-72.4127.9-178.200000114.6R163 W164 F200R163-G202 WeakPolarHBondContact CD-O 3.26Å; R163-G202 WeakPolarHBondContact CG-O 3.45Å; W164-G202 VanDerWaalsContact CD1-N 3.27Å; W164-G202 PolarHBondContact NE1-O 3.08Å; F200-G202 PolarHBondContact O-N 3.1Å
203S87.3Confident93.4Very high81 Ų8140.1 Ų40.157%0.56621%0.205SC*.SBendtrans-80.2-28.7-179.861.30000114.4R163 D207R163-S203 VanDerWaalsContact CZ-O 3.32Å; R163-S203 PolarHBondContact NH1-O 3.38Å; S203-D207 WeakPolarHBondContact CB-OD2 3.46Å; S203-D207 PolarHBondContact N-OD2 3.44Å; S203-D207 PolarHBondContact OG-OD2 2.72Å
204S88.3Confident93.3Very high48 Ų4843 Ų4334%0.33623%0.225SC..SBendtrans-133.3171.6175.374.70000110.4R163 I206 D207 M208R163-S204 WeakPolarHBondContact CD-O 3.38Å; R163-S204 VanDerWaalsContact NE-C 3.29Å; S204-I206 VanDerWaalsContact C-N 3.31Å; S204-D207 PolarHBondContact O-N 3.04Å; S204-D207 VanDerWaalsContact OG-CB 3.31Å; S204-D207 WeakPolarHBondContact OG-CB 3.47Å; S204-D207 PolarHBondContact OG-N 2.96Å; S204-M208 WeakPolarHBondContact O-CB 3.3Å; S204-M208 PolarHBondContact O-N 3.29Å
205E88.6Confident93.3Very high30 Ų3043.5 Ų43.514%0.1423%0.228CC..Hα-helixtrans-63.4-41.7178.1-51.7-163.9132.600111R166 L171 R173 M208 V209R166-E205 IonicContact CZ-OE1 2.68Å; R166-E205 IonicContact NH1-OE1 2.9Å; R166-E205 PolarHBondContact NH1-OE1 3.31Å; L171-E205 HydrophobicContact CD2-CB 4.29Å; R173-E205 IonicContact CZ-OE2 2.96Å; R173-E205 IonicContact NE-OE2 2.81Å; R173-E205 IonicContact NH2-OE2 2.73Å; R173-E205 PolarHBondContact NH2-OE2 2.81Å; E205-M208 WeakPolarHBondContact O-CB 3.28Å; E205-M208 PolarHBondContact O-N 3.45Å; E205-V209 PolarHBondContact O-N 3.4Å
206I91.3Very high93.4Very high95 Ų9543.3 Ų43.349%0.48723%0.226SC..Hα-helixtrans-63.5-50.9174.2-66.3171.7000110.7S204 M208 V209 F210 F236S204-I206 VanDerWaalsContact C-N 3.31Å; I206-M208 PolarHBondContact O-N 3.22Å; I206-V209 WeakPolarHBondContact O-CA 3.18Å; I206-V209 WeakPolarHBondContact O-CB 3.3Å; I206-V209 PolarHBondContact O-N 3.01Å; I206-F210 HydrophobicContact CG2-CD2 3.77Å; I206-F210 HydrophobicContact CG2-CE2 3.59Å; I206-F210 WeakPolarHBondContact O-CD2 3.43Å; I206-F210 PolarHBondContact O-N 3.26Å; I206-F236 HydrophobicContact CG2-CE2 4.04Å
207D92.7Very high93.6Very high30 Ų3041.2 Ų41.216%0.1622%0.217CC..Hα-helixtrans-61.7-30179.7179.648.6000112.4S203 S204 F210 K211S203-D207 WeakPolarHBondContact CB-OD2 3.46Å; S203-D207 PolarHBondContact N-OD2 3.44Å; S203-D207 PolarHBondContact OG-OD2 2.72Å; S204-D207 PolarHBondContact O-N 3.04Å; S204-D207 VanDerWaalsContact OG-CB 3.31Å; S204-D207 WeakPolarHBondContact OG-CB 3.47Å; S204-D207 PolarHBondContact OG-N 2.96Å; D207-F210 WeakPolarHBondContact O-CB 3.45Å; D207-F210 PolarHBondContact O-N 3.31Å; D207-K211 WeakPolarHBondContact O-CG 3.34Å; D207-K211 PolarHBondContact O-N 3.12Å; D207-K211 WeakPolarHBondContact OD1-CE 3.46Å; D207-K211 IonicContact OD1-NZ 2.72Å; D207-K211 PolarHBondContact OD1-NZ 2.98Å; D207-K211 IonicContact OD2-NZ 3.28Å; D207-K211 PolarHBondContact OD2-NZ 2.88Å
208M93.7Very high93.9Very high0 Ų033.5 Ų33.50%019%0.192CC..Hα-helixtrans-61.3-49.3170.3-152.3-53.2-160.600110.6R163 W164 R166 L171 F184 F200 S204 E205 I206 F210 K211 I212R163-M208 HydrophobicContact CG-CG 4.32Å; W164-M208 VanDerWaalsContact O-CE 3.28Å; W164-M208 WeakPolarHBondContact O-CE 3.49Å; R166-M208 VanDerWaalsContact O-CE 3.3Å; R166-M208 WeakPolarHBondContact O-CE 3.48Å; L171-M208 HydrophobicContact CD1-CB 3.89Å; L171-M208 HydrophobicContact CD1-CE 4.06Å; L171-M208 HydrophobicContact CD1-CG 3.79Å; L171-M208 HydrophobicContact CD1-SD 3.57Å; L171-M208 VanDerWaalsContact CD1-SD 3.57Å; L171-M208 HydrophobicContact CD2-CB 4.11Å; L171-M208 HydrophobicContact CD2-CG 4.3Å; F184-M208 HydrophobicContact CE1-CE 4.27Å; F200-M208 HydrophobicContact CB-CE 3.77Å; F200-M208 HydrophobicContact CB-SD 3.83Å; F200-M208 HydrophobicContact CD2-CE 4.06Å; F200-M208 HydrophobicContact CG-CE 4.28Å; F200-M208 HydrophobicContact CG-SD 4.42Å; S204-M208 WeakPolarHBondContact O-CB 3.3Å; S204-M208 PolarHBondContact O-N 3.29Å; E205-M208 WeakPolarHBondContact O-CB 3.28Å; E205-M208 PolarHBondContact O-N 3.45Å; I206-M208 PolarHBondContact O-N 3.22Å; M208-F210 VanDerWaalsContact C-N 3.28Å; M208-F210 PolarHBondContact O-N 3.3Å; M208-K211 WeakPolarHBondContact O-CA 3.37Å; M208-K211 WeakPolarHBondContact O-CB 3.47Å; M208-K211 PolarHBondContact O-N 3.44Å; M208-I212 HydrophobicContact CE-CD1 4.09Å; M208-I212 HydrophobicContact CE-CG1 4.26Å; M208-I212 WeakPolarHBondContact O-CG1 3.32Å; M208-I212 PolarHBondContact O-N 3.36Å; M208-I212 HydrophobicContact SD-CD1 3.58Å; M208-I212 VanDerWaalsContact SD-CD1 3.58Å; M208-I212 HydrophobicContact SD-CG1 3.56Å; M208-I212 VanDerWaalsContact SD-CG1 3.56Å
209V95Very high94.1Very high4 Ų432.3 Ų32.32%0.02418%0.184CC..Hα-helixtrans-59.7-37.6175.2-177.80000111.8L171 L172 E205 I206 I212 C213 F236 F238 W267L171-V209 HydrophobicContact CB-CG2 3.79Å; L171-V209 HydrophobicContact CD1-CG2 4.02Å; L172-V209 HydrophobicContact CD2-CG2 4.4Å; E205-V209 PolarHBondContact O-N 3.4Å; I206-V209 WeakPolarHBondContact O-CA 3.18Å; I206-V209 WeakPolarHBondContact O-CB 3.3Å; I206-V209 PolarHBondContact O-N 3.01Å; V209-I212 PolarHBondContact O-N 3.38Å; V209-C213 PolarHBondContact O-N 3.28Å; V209-C213 PolarHBondContact O-SG 2.95Å; V209-F236 HydrophobicContact CB-CE1 4.5Å; V209-F236 HydrophobicContact CB-CZ 4.32Å; V209-F236 HydrophobicContact CG1-CE1 3.71Å; V209-F236 HydrophobicContact CG1-CZ 3.84Å; V209-F238 HydrophobicContact CG1-CD1 4Å; V209-F238 HydrophobicContact CG1-CE1 3.97Å; V209-W267 HydrophobicContact CG1-CH2 4.45Å
210F94.9Very high94Very high89 Ų8934.1 Ų34.139%0.3920%0.199SC..Hα-helixtrans-61.9-41.7170.5-83.7-93.1000112.4I206 D207 M208 C213 S214 F236 P239I206-F210 HydrophobicContact CG2-CD2 3.77Å; I206-F210 HydrophobicContact CG2-CE2 3.59Å; I206-F210 WeakPolarHBondContact O-CD2 3.43Å; I206-F210 PolarHBondContact O-N 3.26Å; D207-F210 WeakPolarHBondContact O-CB 3.45Å; D207-F210 PolarHBondContact O-N 3.31Å; M208-F210 VanDerWaalsContact C-N 3.28Å; M208-F210 PolarHBondContact O-N 3.3Å; F210-C213 PolarHBondContact O-N 3.43Å; F210-S214 PolarHBondContact O-N 3.09Å; F210-F236 AromaticContact CE2-CE2 3.99Å; F210-F236 HydrophobicContact CE2-CE2 3.99Å; F210-F236 HydrophobicContact CE2-CZ 4.43Å; F210-P239 HydrophobicContact CD1-CB 3.91Å; F210-P239 HydrophobicContact CD1-CG 3.66Å; F210-P239 HydrophobicContact CE1-CB 3.64Å; F210-P239 HydrophobicContact CE1-CG 3.82Å; F210-P239 HydrophobicContact CG-CG 4.31Å; F210-P239 HydrophobicContact CZ-CB 4.48Å
211K96Very high93.9Very high64 Ų6441 Ų4128%0.27823%0.229SC..Hα-helixtrans-62.1-43.1175.3-62-31.1-173.9-1430111.8F200 D207 M208 S214F200-K211 HydrophobicContact CB-CB 4.12Å; F200-K211 HydrophobicContact CD1-CB 4.18Å; D207-K211 WeakPolarHBondContact O-CG 3.34Å; D207-K211 PolarHBondContact O-N 3.12Å; D207-K211 WeakPolarHBondContact OD1-CE 3.46Å; D207-K211 IonicContact OD1-NZ 2.72Å; D207-K211 PolarHBondContact OD1-NZ 2.98Å; D207-K211 IonicContact OD2-NZ 3.28Å; D207-K211 PolarHBondContact OD2-NZ 2.88Å; M208-K211 WeakPolarHBondContact O-CA 3.37Å; M208-K211 WeakPolarHBondContact O-CB 3.47Å; M208-K211 PolarHBondContact O-N 3.44Å; K211-S214 WeakPolarHBondContact CA-OG 3.49Å; K211-S214 PolarHBondContact O-N 2.85Å; K211-S214 PolarHBondContact O-OG 3Å
212I97.3Very high94.1Very high0 Ų043.2 Ų43.20%025%0.246CC..Hα-helixtrans-60.1-48.1175.5-56170.4000110P168 L171 F184 F200 M208 V209 S214 V215 L216 W267P168-I212 HydrophobicContact CB-CD1 4.09Å; L171-I212 HydrophobicContact CD1-CD1 3.96Å; F184-I212 HydrophobicContact CZ-CD1 3.83Å; F184-I212 HydrophobicContact CZ-CG1 4.25Å; F200-I212 HydrophobicContact CD1-CG1 4.22Å; F200-I212 HydrophobicContact CD2-CG1 4.05Å; F200-I212 HydrophobicContact CE1-CB 4.42Å; F200-I212 HydrophobicContact CE1-CG1 4.35Å; F200-I212 HydrophobicContact CE2-CG1 4.18Å; F200-I212 HydrophobicContact CG-CG1 4.08Å; F200-I212 HydrophobicContact CZ-CG1 4.33Å; F200-I212 HydrophobicContact CZ-CG2 4.33Å; M208-I212 HydrophobicContact CE-CD1 4.09Å; M208-I212 HydrophobicContact CE-CG1 4.26Å; M208-I212 WeakPolarHBondContact O-CG1 3.32Å; M208-I212 PolarHBondContact O-N 3.36Å; M208-I212 HydrophobicContact SD-CD1 3.58Å; M208-I212 VanDerWaalsContact SD-CD1 3.58Å; M208-I212 HydrophobicContact SD-CG1 3.56Å; M208-I212 VanDerWaalsContact SD-CG1 3.56Å; V209-I212 PolarHBondContact O-N 3.38Å; I212-S214 VanDerWaalsContact C-N 3.27Å; I212-S214 PolarHBondContact O-N 3.38Å; I212-V215 PolarHBondContact O-N 2.95Å; I212-V215 VanDerWaalsContact O-N 3.11Å; I212-L216 HydrophobicContact CG2-CB 4.37Å; I212-L216 HydrophobicContact CG2-CD1 3.67Å; I212-L216 HydrophobicContact CG2-CG 4.12Å; I212-L216 PolarHBondContact O-N 3.07Å; I212-W267 HydrophobicContact CB-CH2 3.81Å; I212-W267 HydrophobicContact CB-CZ2 4.15Å; I212-W267 HydrophobicContact CB-CZ3 4.47Å; I212-W267 HydrophobicContact CG2-CD2 4.43Å; I212-W267 HydrophobicContact CG2-CE3 4.39Å; I212-W267 HydrophobicContact CG2-CH2 3.45Å; I212-W267 VanDerWaalsContact CG2-CH2 3.45Å; I212-W267 HydrophobicContact CG2-CZ2 3.48Å; I212-W267 VanDerWaalsContact CG2-CZ2 3.48Å; I212-W267 HydrophobicContact CG2-CZ3 3.94Å
213C97.2Very high94.3Very high0 Ų044.5 Ų44.50%026%0.259CS..Hα-helixtrans-60.5-34.5177.7-63.30000112.8V209 F210 V215 G217 P239 C241V209-C213 PolarHBondContact O-N 3.28Å; V209-C213 PolarHBondContact O-SG 2.95Å; F210-C213 PolarHBondContact O-N 3.43Å; C213-V215 PolarHBondContact O-N 3.38Å; C213-G217 CarbonylContact O-C 3.51Å; C213-G217 WeakPolarHBondContact O-CA 3.41Å; C213-G217 PolarHBondContact O-N 3.12Å; C213-P239 HydrophobicContact CB-CG 3.6Å; C213-C241 HydrophobicContact CB-CB 4.29Å; C213-C241 WeakPolarHBondContact O-CB 3.43Å
214S95.9Very high94.7Very high61 Ų6140.9 Ų40.943%0.42723%0.233SC..Hα-helixtrans-69.9-7.6178.369.60000114.9F210 K211 I212 V244F210-S214 PolarHBondContact O-N 3.09Å; K211-S214 WeakPolarHBondContact CA-OG 3.49Å; K211-S214 PolarHBondContact O-N 2.85Å; K211-S214 PolarHBondContact O-OG 3Å; I212-S214 VanDerWaalsContact C-N 3.27Å; I212-S214 PolarHBondContact O-N 3.38Å; S214-V244 VanDerWaalsContact O-CG2 3.32Å; S214-V244 WeakPolarHBondContact O-CG2 3.44Å
215V96.8Very high95.1Very high14 Ų1441.2 Ų41.29%0.08523%0.234CC..Hα-helixtrans-118.8-50.4176.2178.50000111.4F200 I212 C213 G217 V244 L246 L249F200-V215 HydrophobicContact CE1-CB 3.94Å; F200-V215 HydrophobicContact CE1-CG1 4.47Å; F200-V215 HydrophobicContact CE1-CG2 3.94Å; I212-V215 PolarHBondContact O-N 2.95Å; I212-V215 VanDerWaalsContact O-N 3.11Å; C213-V215 PolarHBondContact O-N 3.38Å; V215-G217 VanDerWaalsContact C-N 3.31Å; V215-G217 PolarHBondContact O-N 3.32Å; V215-V244 PolarHBondContact O-N 3.13Å; V215-L246 HydrophobicContact CG1-CD1 4.16Å; V215-L249 HydrophobicContact CB-CD1 4.38Å; V215-L249 HydrophobicContact CG1-CD1 3.65Å; V215-L249 HydrophobicContact CG2-CD1 3.93Å
216L97.3Very high95.4Very high31 Ų3142.6 Ų42.616%0.16224%0.241CC..Hα-helixtrans-86.6-1.1-177.2-59.2-173.5000113.8I212 L262 I265 W267I212-L216 HydrophobicContact CG2-CB 4.37Å; I212-L216 HydrophobicContact CG2-CD1 3.67Å; I212-L216 HydrophobicContact CG2-CG 4.12Å; I212-L216 PolarHBondContact O-N 3.07Å; L216-L262 HydrophobicContact CD2-CD2 4.48Å; L216-I265 HydrophobicContact CD1-CB 4.46Å; L216-I265 HydrophobicContact CD1-CD1 4.4Å; L216-I265 HydrophobicContact CD1-CG1 4.04Å; L216-I265 VanDerWaalsContact CD1-O 3.24Å; L216-I265 WeakPolarHBondContact CD1-O 3.28Å; L216-I265 HydrophobicContact CD2-CD1 3.75Å; L216-I265 HydrophobicContact CD2-CG1 3.96Å; L216-I265 HydrophobicContact CG-CD1 4.5Å; L216-W267 HydrophobicContact CB-CZ2 4.5Å
217G97.1Very high95.6Very high1 Ų138 Ų381%0.0122%0.217CC..  trans67.7178.7-168.500000112.5C213 V215 C241 W267C213-G217 CarbonylContact O-C 3.51Å; C213-G217 WeakPolarHBondContact O-CA 3.41Å; C213-G217 PolarHBondContact O-N 3.12Å; V215-G217 VanDerWaalsContact C-N 3.31Å; V215-G217 PolarHBondContact O-N 3.32Å; G217-C241 CarbonylContact C-O 3.42Å; G217-C241 WeakPolarHBondContact CA-O 3.49Å; G217-W267 WeakPolarHBondContact O-CZ2 3.32Å; G217-W267 PolarHBondContact O-NE1 2.99Å; G217-W267 VanDerWaalsContact O-NE1 3.17Å
218T96.6Very high95.7Very high33 Ų3339.9 Ų39.920%0.20222%0.222CC..SBendtrans-63.9133.6172.5-49.30000110.4F238 P239 Q240 C241T218-F238 HydrophobicContact CG2-CB 3.93Å; T218-P239 WeakPolarHBondContact CG2-O 3.47Å; T218-P239 PolarHBondContact OG1-O 3.09Å; T218-Q240 WeakPolarHBondContact OG1-CA 3.47Å; T218-C241 PolarHBondContact N-O 3.46Å; T218-C241 PolarHBondContact OG1-N 2.82Å; T218-C241 PolarHBondContact OG1-O 3.16Å
219P96.4Very high95.8Very high3 Ų346.4 Ų46.42%0.01925%0.253CS..PPolyproline II helixtrans-62.6139.4171.925.7-31.5000110W224 Y228 F238 W267P219-W224 HydrophobicContact CB-CE3 4.17Å; P219-W224 HydrophobicContact CG-CE3 4.48Å; P219-Y228 HydrophobicContact CG-CE2 4.41Å; P219-Y228 WeakPolarHBondContact O-CE2 3.36Å; P219-Y228 PolarHBondContact O-OH 3.46Å; P219-F238 HydrophobicContact CG-CD1 3.74Å; P219-F238 HydrophobicContact CG-CD2 3.94Å; P219-F238 HydrophobicContact CG-CE1 3.66Å; P219-F238 HydrophobicContact CG-CE2 3.86Å; P219-F238 HydrophobicContact CG-CG 3.89Å; P219-F238 HydrophobicContact CG-CZ 3.72Å; P219-W267 HydrophobicContact CB-CB 4.29Å; P219-W267 HydrophobicContact CB-CD2 3.78Å; P219-W267 HydrophobicContact CB-CE3 4.24Å; P219-W267 HydrophobicContact CB-CG 3.81Å; P219-W267 HydrophobicContact CG-CD2 4.15Å; P219-W267 HydrophobicContact CG-CE3 4.27Å; P219-W267 HydrophobicContact CG-CH2 4.42Å; P219-W267 HydrophobicContact CG-CZ2 4.3Å; P219-W267 HydrophobicContact CG-CZ3 4.4Å
220S94.7Very high95.8Very high66 Ų6647.9 Ų47.946%0.46226%0.261SS..PPolyproline II helixtrans-77.1138.8174.865.30000110.9S222 G223 W224S220-S222 PolarHBondContact O-N 2.82Å; S220-G223 PolarHBondContact O-N 3.07Å; S220-G223 VanDerWaalsContact O-N 3.07Å; S220-G223 WeakPolarHBondContact OG-CA 3.38Å; S220-G223 PolarHBondContact OG-N 3.15Å; S220-G223 VanDerWaalsContact OG-N 3.07Å; S220-W224 PolarHBondContact O-N 3.02Å
221K94.3Very high95.8Very high145 Ų14543.8 Ų43.863%0.6324%0.243SC*.THydrogen-bonded Turntrans-62.1-25.7178.4-171.2178.9176.6-172.40112.9P225 Y228K221-P225 WeakPolarHBondContact O-CA 3.38Å; K221-P225 WeakPolarHBondContact O-CB 3.26Å; K221-Y228 VanDerWaalsContact CA-CE2 3.47Å; K221-Y228 HydrophobicContact CB-CD1 4.48Å; K221-Y228 HydrophobicContact CB-CD2 3.96Å; K221-Y228 HydrophobicContact CB-CE1 4.32Å; K221-Y228 HydrophobicContact CB-CE2 3.78Å; K221-Y228 HydrophobicContact CB-CG 4.29Å; K221-Y228 HydrophobicContact CD-CD1 4.43Å; K221-Y228 HydrophobicContact CG-CD1 4.26Å; K221-Y228 HydrophobicContact CG-CD2 4.06Å; K221-Y228 HydrophobicContact CG-CE2 4.37Å; K221-Y228 HydrophobicContact CG-CG 3.98Å
222S95.2Very high95.8Very high113 Ų11343.8 Ų43.879%0.7926%0.255SS*.THydrogen-bonded Turntrans-77.3-38.2172.245.50000113.1S220S220-S222 PolarHBondContact O-N 2.82Å
223G93.7Very high95.6Very high27 Ų2747.8 Ų47.828%0.27829%0.288SS..THydrogen-bonded Turntrans-78.6-26.3-179.100000114.4S220 N268S220-G223 PolarHBondContact O-N 3.07Å; S220-G223 VanDerWaalsContact O-N 3.07Å; S220-G223 WeakPolarHBondContact OG-CA 3.38Å; S220-G223 PolarHBondContact OG-N 3.15Å; S220-G223 VanDerWaalsContact OG-N 3.07Å; G223-N268 PolarHBondContact O-ND2 3.49Å
224W96Very high95.3Very high5 Ų550.8 Ų50.82%0.01930%0.303CS..  trans-146.470.5176.2-167.831.2000112.7P168 E169 L172 P219 S220 E226 G227 Y228 F238 W267 N268P168-W224 HydrophobicContact CB-CH2 3.86Å; P168-W224 HydrophobicContact CB-CZ3 4.08Å; P168-W224 HydrophobicContact CG-CH2 4.18Å; P168-W224 HydrophobicContact CG-CZ3 4.41Å; E169-W224 HydrophobicContact CB-CH2 4.49Å; E169-W224 HydrophobicContact CB-CZ2 3.97Å; L172-W224 HydrophobicContact CD1-CH2 3.69Å; L172-W224 HydrophobicContact CD1-CZ3 3.98Å; P219-W224 HydrophobicContact CB-CE3 4.17Å; P219-W224 HydrophobicContact CG-CE3 4.48Å; S220-W224 PolarHBondContact O-N 3.02Å; W224-E226 VanDerWaalsContact C-N 3.28Å; W224-E226 PolarHBondContact O-N 3.06Å; W224-G227 VanDerWaalsContact CE2-CA 3.4Å; W224-G227 PolarHBondContact O-N 2.94Å; W224-Y228 PolarHBondContact O-N 2.88Å; W224-F238 HydrophobicContact CZ3-CZ 4.19Å; W224-W267 HydrophobicContact CE3-CB 4.22Å; W224-W267 AromaticContact CE3-CE3 3.93Å; W224-W267 HydrophobicContact CE3-CE3 3.93Å; W224-W267 AromaticContact CZ3-CE3 3.57Å; W224-W267 HydrophobicContact CZ3-CE3 3.57Å; W224-W267 HydrophobicContact CZ3-CZ3 4.03Å; W224-N268 HydrophobicContact CB-CB 4.14Å; W224-N268 HydrophobicContact CG-CB 4.07Å
225P95.8Very high95.2Very high54 Ų5455.3 Ų55.335%0.35132%0.323SS..Hα-helixtrans-63-32.2-178.524.8-33.6000113K221 Y228 Q229K221-P225 WeakPolarHBondContact O-CA 3.38Å; K221-P225 WeakPolarHBondContact O-CB 3.26Å; P225-Y228 PolarHBondContact O-N 3.4Å; P225-Q229 PolarHBondContact O-N 2.86Å
226E95Very high95Very high59 Ų5956.2 Ų56.228%0.27633%0.325SS..Hα-helixtrans-66.6-37177.4-52.693.1149.200111.6W224 Y228 Q229 L230 K270W224-E226 VanDerWaalsContact C-N 3.28Å; W224-E226 PolarHBondContact O-N 3.06Å; E226-Y228 VanDerWaalsContact C-N 3.26Å; E226-Y228 PolarHBondContact O-N 3.44Å; E226-Q229 WeakPolarHBondContact O-CB 3.23Å; E226-Q229 PolarHBondContact O-N 2.82Å; E226-Q229 VanDerWaalsContact O-N 3.08Å; E226-L230 WeakPolarHBondContact O-CG 3.19Å; E226-L230 PolarHBondContact O-N 2.7Å; E226-K270 IonicContact OE1-NZ 2.69Å; E226-K270 PolarHBondContact OE1-NZ 3.48Å
227G95.5Very high94.8Very high0 Ų063.3 Ų63.30%036%0.355CS..Hα-helixtrans-61.7-34.5174.600000113W224 A231W224-G227 VanDerWaalsContact CE2-CA 3.4Å; W224-G227 PolarHBondContact O-N 2.94Å; G227-A231 VanDerWaalsContact O-CB 3.28Å; G227-A231 WeakPolarHBondContact O-CB 3.43Å; G227-A231 PolarHBondContact O-N 3.31Å
228Y96.2Very high94.7Very high68 Ų6863.9 Ų63.927%0.26736%0.357SS..Hα-helixtrans-70.7-32.5172.6-88.2-96.7000113.2P219 K221 W224 P225 E226 A232 F238P219-Y228 HydrophobicContact CG-CE2 4.41Å; P219-Y228 WeakPolarHBondContact O-CE2 3.36Å; P219-Y228 PolarHBondContact O-OH 3.46Å; K221-Y228 VanDerWaalsContact CA-CE2 3.47Å; K221-Y228 HydrophobicContact CB-CD1 4.48Å; K221-Y228 HydrophobicContact CB-CD2 3.96Å; K221-Y228 HydrophobicContact CB-CE1 4.32Å; K221-Y228 HydrophobicContact CB-CE2 3.78Å; K221-Y228 HydrophobicContact CB-CG 4.29Å; K221-Y228 HydrophobicContact CD-CD1 4.43Å; K221-Y228 HydrophobicContact CG-CD1 4.26Å; K221-Y228 HydrophobicContact CG-CD2 4.06Å; K221-Y228 HydrophobicContact CG-CE2 4.37Å; K221-Y228 HydrophobicContact CG-CG 3.98Å; W224-Y228 PolarHBondContact O-N 2.88Å; P225-Y228 PolarHBondContact O-N 3.4Å; E226-Y228 VanDerWaalsContact C-N 3.26Å; E226-Y228 PolarHBondContact O-N 3.44Å; Y228-A232 VanDerWaalsContact O-CB 3.3Å; Y228-A232 WeakPolarHBondContact O-CB 3.46Å; Y228-A232 PolarHBondContact O-N 3.27Å; Y228-F238 HydrophobicContact CD1-CD2 4.48Å; Y228-F238 HydrophobicContact CD2-CE2 4.12Å; Y228-F238 HydrophobicContact CE1-CD2 4.18Å; Y228-F238 HydrophobicContact CE2-CD2 4.21Å; Y228-F238 HydrophobicContact CE2-CE2 4.18Å; Y228-F238 HydrophobicContact CG-CE2 4.31Å
229Q95.5Very high94.6Very high137 Ų13763.5 Ų63.564%0.6436%0.355SS*.Hα-helixtrans-68-45.8173.8-65.4170.2500110.8P225 E226 A232 A233P225-Q229 PolarHBondContact O-N 2.86Å; E226-Q229 WeakPolarHBondContact O-CB 3.23Å; E226-Q229 PolarHBondContact O-N 2.82Å; E226-Q229 VanDerWaalsContact O-N 3.08Å; Q229-A232 PolarHBondContact O-N 3.11Å; Q229-A233 PolarHBondContact O-N 3.04Å
230L95Very high94.5Very high36 Ų3671 Ų7119%0.18839%0.39CS..Hα-helixtrans-62.1-45.9176.3-66.9172.1000112.1L172 E226 A232 A233 M234L172-L230 HydrophobicContact CB-CB 3.82Å; L172-L230 HydrophobicContact CB-CD1 4.4Å; L172-L230 HydrophobicContact CD1-CB 4.48Å; E226-L230 WeakPolarHBondContact O-CG 3.19Å; E226-L230 PolarHBondContact O-N 2.7Å; L230-A232 PolarHBondContact O-N 3.16Å; L230-A233 PolarHBondContact O-N 3.41Å; L230-M234 PolarHBondContact O-N 2.91Å
231A95.1Very high94.5Very high2 Ų269.8 Ų69.82%0.01738%0.381CS..Hα-helixtrans-58.1-46.1174.200000111.9L172 G227 A233 M234 N235 F236 F238L172-A231 HydrophobicContact CD1-CB 4.48Å; L172-A231 HydrophobicContact CD2-CB 4.38Å; G227-A231 VanDerWaalsContact O-CB 3.28Å; G227-A231 WeakPolarHBondContact O-CB 3.43Å; G227-A231 PolarHBondContact O-N 3.31Å; A231-A233 VanDerWaalsContact C-N 3.34Å; A231-A233 PolarHBondContact O-N 3.47Å; A231-M234 CarbonylContact O-C 3.37Å; A231-M234 PolarHBondContact O-N 3.42Å; A231-M234 VanDerWaalsContact O-N 3.12Å; A231-N235 PolarHBondContact O-N 2.95Å; A231-F236 CarbonylContact C-O 3.53Å; A231-F236 HydrophobicContact CB-CB 4.49Å; A231-F236 HydrophobicContact CB-CD1 3.96Å; A231-F236 PolarHBondContact O-N 3.48Å; A231-F238 HydrophobicContact CB-CD2 4.37Å; A231-F238 HydrophobicContact CB-CE2 3.75Å; A231-F238 HydrophobicContact CB-CZ 4.1Å
232A94.9Very high94.5Very high65 Ų6567.7 Ų67.754%0.53739%0.385SS..Hα-helixtrans-62.7-38.5177.800000112.8Y228 Q229 L230 M234 N235Y228-A232 VanDerWaalsContact O-CB 3.3Å; Y228-A232 WeakPolarHBondContact O-CB 3.46Å; Y228-A232 PolarHBondContact O-N 3.27Å; Q229-A232 PolarHBondContact O-N 3.11Å; L230-A232 PolarHBondContact O-N 3.16Å; A232-M234 PolarHBondContact O-N 3.16Å; A232-N235 PolarHBondContact O-N 3.26Å
233A93.8Very high94.5Very high84 Ų8466.7 Ų66.769%0.69438%0.375SS*.Hα-helixtrans-65.9-20.2175.700000113.7Q229 L230 A231Q229-A233 PolarHBondContact O-N 3.04Å; L230-A233 PolarHBondContact O-N 3.41Å; A231-A233 VanDerWaalsContact C-N 3.34Å; A231-A233 PolarHBondContact O-N 3.47Å
234M91.3Very high94.6Very high63 Ų6367.9 Ų67.931%0.3138%0.377SS..THydrogen-bonded Turntrans-98.411.2171.6-66.2-178.261.900113.3L172 R173 L230 A231 A232 F236L172-M234 VanDerWaalsContact CA-SD 3.58Å; L172-M234 HydrophobicContact CB-SD 4.48Å; R173-M234 HydrophobicContact CB-SD 3.94Å; R173-M234 HydrophobicContact CG-CE 4.02Å; R173-M234 HydrophobicContact CG-SD 3.76Å; L230-M234 PolarHBondContact O-N 2.91Å; A231-M234 CarbonylContact O-C 3.37Å; A231-M234 PolarHBondContact O-N 3.42Å; A231-M234 VanDerWaalsContact O-N 3.12Å; A232-M234 PolarHBondContact O-N 3.16Å; M234-F236 HydrophobicContact CB-CB 4.32Å; M234-F236 PolarHBondContact O-N 3.3Å
235N92.9Very high94.6Very high156 Ų15671.1 Ų71.183%0.83440%0.399SS*.THydrogen-bonded Turntrans53.717-170.2-67.284.4000114.4A231 A232A231-N235 PolarHBondContact O-N 2.95Å; A232-N235 PolarHBondContact O-N 3.26Å
236F92.6Very high94.7Very high32 Ų3268.9 Ų68.914%0.1438%0.384CS..  trans-86.1147.5-177.3178.8-107.7000111.4L172 I206 V209 F210 A231 M234 F238L172-F236 HydrophobicContact CD2-CD1 3.95Å; L172-F236 HydrophobicContact CD2-CE1 4.38Å; I206-F236 HydrophobicContact CG2-CE2 4.04Å; V209-F236 HydrophobicContact CB-CE1 4.5Å; V209-F236 HydrophobicContact CB-CZ 4.32Å; V209-F236 HydrophobicContact CG1-CE1 3.71Å; V209-F236 HydrophobicContact CG1-CZ 3.84Å; F210-F236 AromaticContact CE2-CE2 3.99Å; F210-F236 HydrophobicContact CE2-CE2 3.99Å; F210-F236 HydrophobicContact CE2-CZ 4.43Å; A231-F236 CarbonylContact C-O 3.53Å; A231-F236 HydrophobicContact CB-CB 4.49Å; A231-F236 HydrophobicContact CB-CD1 3.96Å; A231-F236 PolarHBondContact O-N 3.48Å; M234-F236 HydrophobicContact CB-CB 4.32Å; M234-F236 PolarHBondContact O-N 3.3Å; F236-F238 AromaticContact CE1-CD1 3.77Å; F236-F238 HydrophobicContact CE1-CD1 3.77Å; F236-F238 HydrophobicContact CE1-CE1 4.14Å; F236-F238 HydrophobicContact CE1-CG 4.14Å
237K93.8Very high94.7Very high181 Ų18171.5 Ų71.579%0.78740%0.396SS*.  trans-127.1126.9171.7-65.7-179-178.8177.90108.3
238F94.8Very high94.7Very high13 Ų1375.4 Ų75.46%0.05742%0.42CS..  trans-59.2137174.8-63.5-80.2000110.7L172 V209 T218 P219 W224 Y228 A231 F236 Q240 W267L172-F238 HydrophobicContact CD1-CE1 4.03Å; L172-F238 HydrophobicContact CD1-CZ 3.62Å; V209-F238 HydrophobicContact CG1-CD1 4Å; V209-F238 HydrophobicContact CG1-CE1 3.97Å; T218-F238 HydrophobicContact CG2-CB 3.93Å; P219-F238 HydrophobicContact CG-CD1 3.74Å; P219-F238 HydrophobicContact CG-CD2 3.94Å; P219-F238 HydrophobicContact CG-CE1 3.66Å; P219-F238 HydrophobicContact CG-CE2 3.86Å; P219-F238 HydrophobicContact CG-CG 3.89Å; P219-F238 HydrophobicContact CG-CZ 3.72Å; W224-F238 HydrophobicContact CZ3-CZ 4.19Å; Y228-F238 HydrophobicContact CD1-CD2 4.48Å; Y228-F238 HydrophobicContact CD2-CE2 4.12Å; Y228-F238 HydrophobicContact CE1-CD2 4.18Å; Y228-F238 HydrophobicContact CE2-CD2 4.21Å; Y228-F238 HydrophobicContact CE2-CE2 4.18Å; Y228-F238 HydrophobicContact CG-CE2 4.31Å; A231-F238 HydrophobicContact CB-CD2 4.37Å; A231-F238 HydrophobicContact CB-CE2 3.75Å; A231-F238 HydrophobicContact CB-CZ 4.1Å; F236-F238 AromaticContact CE1-CD1 3.77Å; F236-F238 HydrophobicContact CE1-CD1 3.77Å; F236-F238 HydrophobicContact CE1-CE1 4.14Å; F236-F238 HydrophobicContact CE1-CG 4.14Å; F238-Q240 PolarHBondContact O-NE2 3.1Å; F238-W267 HydrophobicContact CE1-CH2 4.35Å; F238-W267 HydrophobicContact CE1-CZ3 4.17Å
239P93.6Very high94.7Very high24 Ų2475.6 Ų75.616%0.15643%0.425CS..  trans-61.4154.6169.330.7-37.5000110.4F210 C213 T218F210-P239 HydrophobicContact CD1-CB 3.91Å; F210-P239 HydrophobicContact CD1-CG 3.66Å; F210-P239 HydrophobicContact CE1-CB 3.64Å; F210-P239 HydrophobicContact CE1-CG 3.82Å; F210-P239 HydrophobicContact CG-CG 4.31Å; F210-P239 HydrophobicContact CZ-CB 4.48Å; C213-P239 HydrophobicContact CB-CG 3.6Å; T218-P239 WeakPolarHBondContact CG2-O 3.47Å; T218-P239 PolarHBondContact OG1-O 3.09Å
240Q94.4Very high94.7Very high160 Ų16069.1 Ų69.175%0.74840%0.395SS*.  trans-85.9114.7170.4-58.9-53.1-75.900108.5T218 F238T218-Q240 WeakPolarHBondContact OG1-CA 3.47Å; F238-Q240 PolarHBondContact O-NE2 3.1Å
241C94.2Very high94.7Very high42 Ų4271.9 Ų71.928%0.28442%0.415SS..  trans-142.7132.5-175.4-60.50000109.4C213 G217 T218C213-C241 HydrophobicContact CB-CB 4.29Å; C213-C241 WeakPolarHBondContact O-CB 3.43Å; G217-C241 CarbonylContact C-O 3.42Å; G217-C241 WeakPolarHBondContact CA-O 3.49Å; T218-C241 PolarHBondContact N-O 3.46Å; T218-C241 PolarHBondContact OG1-N 2.82Å; T218-C241 PolarHBondContact OG1-O 3.16Å
242S94.8Very high94.6Very high101 Ų10176.4 Ų76.471%0.70644%0.439SS*.PPolyproline II helixtrans-74.2145.6167.7-56.90000110.2
243P96.1Very high94.7Very high91 Ų9174 Ų7459%0.59142%0.419SS*.BIsolated β-bridgetrans-66.6139.917328.5-34.4000111.1
244V96.1Very high94.8Very high52 Ų5272.4 Ų72.432%0.31540%0.399SS..PPolyproline II helixtrans-91.4126.3172.7177.40000108.3S214 V215 L246 L249S214-V244 VanDerWaalsContact O-CG2 3.32Å; S214-V244 WeakPolarHBondContact O-CG2 3.44Å; V215-V244 PolarHBondContact O-N 3.13Å; V244-L246 PolarHBondContact O-N 2.92Å; V244-L249 HydrophobicContact CB-CD1 4.44Å; V244-L249 HydrophobicContact CG1-CD1 3.98Å; V244-L249 HydrophobicContact CG1-CD2 4.15Å; V244-L249 HydrophobicContact CG1-CG 3.92Å
245P96Very high95.1Very high74 Ų7476.6 Ų76.648%0.48142%0.417SS..  trans-60.8112.9178.1-2333.5000110.8H247 T248P245-H247 VanDerWaalsContact CB-CE1 3.46Å; P245-H247 WeakPolarHBondContact CB-CE1 3.21Å; P245-H247 PolarHBondContact O-N 3.41Å; P245-T248 HydrophobicContact CB-CG2 4.33Å; P245-T248 WeakPolarHBondContact O-CB 3.5Å; P245-T248 PolarHBondContact O-N 2.85Å; P245-T248 PolarHBondContact O-OG1 3.29Å
246L96.1Very high95.3Very high6 Ų672.3 Ų72.33%0.03139%0.392CS..Hα-helixtrans-59.1-27.2-164.9-17365.5000114.2L199 V215 V244 T248 L249 I250 I258 I261 L262L199-L246 HydrophobicContact CD1-CD1 4.45Å; V215-L246 HydrophobicContact CG1-CD1 4.16Å; V244-L246 PolarHBondContact O-N 2.92Å; L246-T248 PolarHBondContact O-N 3.21Å; L246-L249 HydrophobicContact CD1-CB 4.48Å; L246-L249 HydrophobicContact CD1-CD1 4.29Å; L246-L249 PolarHBondContact O-N 2.84Å; L246-I250 HydrophobicContact CD1-CD1 3.8Å; L246-I250 HydrophobicContact CD1-CG1 4.16Å; L246-I250 HydrophobicContact CD2-CD1 4.17Å; L246-I250 HydrophobicContact CG-CD1 3.89Å; L246-I250 HydrophobicContact CG-CG1 4.3Å; L246-I250 PolarHBondContact O-N 3.28Å; L246-I258 HydrophobicContact CB-CG2 4.27Å; L246-I258 HydrophobicContact CD2-CD1 4.49Å; L246-I258 HydrophobicContact CD2-CG2 4.45Å; L246-I258 HydrophobicContact CG-CD1 4.24Å; L246-I261 HydrophobicContact CD2-CB 3.94Å; L246-I261 HydrophobicContact CD2-CG2 3.63Å; L246-L262 HydrophobicContact CB-CD2 4.13Å; L246-L262 HydrophobicContact CB-CG 4.46Å; L246-L262 HydrophobicContact CD2-CD2 3.88Å; L246-L262 HydrophobicContact CD2-CG 3.84Å
247H96.2Very high95.6Very high115 Ų11570.8 Ų70.853%0.53239%0.385SS..Hα-helixtrans-61.4-23.7174.669-102.2000113.6P245 I250 P251 I258P245-H247 VanDerWaalsContact CB-CE1 3.46Å; P245-H247 WeakPolarHBondContact CB-CE1 3.21Å; P245-H247 PolarHBondContact O-N 3.41Å; H247-I250 CarbonylContact O-C 3.44Å; H247-P251 VanDerWaalsContact O-CA 3.27Å; H247-P251 WeakPolarHBondContact O-CA 3.26Å; H247-I258 HydrophobicContact CB-CD1 4.35Å; H247-I258 HydrophobicContact CB-CG1 4.33Å
248T96.2Very high95.8Very high81 Ų8162.8 Ų62.850%0.49735%0.351SS..Hα-helixtrans-73.6-28.8174.563.40000112.4P245 L246P245-T248 HydrophobicContact CB-CG2 4.33Å; P245-T248 WeakPolarHBondContact O-CB 3.5Å; P245-T248 PolarHBondContact O-N 2.85Å; P245-T248 PolarHBondContact O-OG1 3.29Å; L246-T248 PolarHBondContact O-N 3.21Å
249L95.4Very high95.9Very high72 Ų7266 Ų6638%0.37737%0.366SS..Hα-helixtrans-87.8-27.1177.1-58.1179000112.1V215 V244 L246 P251V215-L249 HydrophobicContact CB-CD1 4.38Å; V215-L249 HydrophobicContact CG1-CD1 3.65Å; V215-L249 HydrophobicContact CG2-CD1 3.93Å; V244-L249 HydrophobicContact CB-CD1 4.44Å; V244-L249 HydrophobicContact CG1-CD1 3.98Å; V244-L249 HydrophobicContact CG1-CD2 4.15Å; V244-L249 HydrophobicContact CG1-CG 3.92Å; L246-L249 HydrophobicContact CD1-CB 4.48Å; L246-L249 HydrophobicContact CD1-CD1 4.29Å; L246-L249 PolarHBondContact O-N 2.84Å; L249-P251 VanDerWaalsContact C-CD 3.45Å
250I96.3Very high96.2Very high1 Ų164.9 Ų64.91%0.00536%0.359CS..  trans-129.461.5-176.1-41.7-179.5000110.3A191 Y194 T195 L246 H247 N252 A253 I258 I261A191-I250 HydrophobicContact CB-CD1 3.58Å; Y194-I250 HydrophobicContact CD1-CG2 4.45Å; Y194-I250 HydrophobicContact CD2-CG2 4.1Å; Y194-I250 HydrophobicContact CG-CG2 3.78Å; T195-I250 HydrophobicContact CG2-CB 4.49Å; T195-I250 HydrophobicContact CG2-CG1 4.21Å; T195-I250 HydrophobicContact CG2-CG2 4.18Å; L246-I250 HydrophobicContact CD1-CD1 3.8Å; L246-I250 HydrophobicContact CD1-CG1 4.16Å; L246-I250 HydrophobicContact CD2-CD1 4.17Å; L246-I250 HydrophobicContact CG-CD1 3.89Å; L246-I250 HydrophobicContact CG-CG1 4.3Å; L246-I250 PolarHBondContact O-N 3.28Å; H247-I250 CarbonylContact O-C 3.44Å; I250-N252 PolarHBondContact O-N 3.05Å; I250-N252 VanDerWaalsContact O-N 3.1Å; I250-A253 HydrophobicContact CG2-CB 3.73Å; I250-A253 PolarHBondContact O-N 2.96Å; I250-I258 HydrophobicContact CB-CD1 3.88Å; I250-I258 HydrophobicContact CG2-CD1 4.45Å; I250-I261 HydrophobicContact CD1-CD1 3.8Å
251P94.6Very high96.4Very high95 Ų9557.2 Ų57.262%0.61732%0.323SS*.THydrogen-bonded Turntrans-67.5-13.2-173.128.3-37.2000114.4H247 L249H247-P251 VanDerWaalsContact O-CA 3.27Å; H247-P251 WeakPolarHBondContact O-CA 3.26Å; L249-P251 VanDerWaalsContact C-CD 3.45Å
252N92.8Very high96.5Very high97 Ų9758.3 Ų58.352%0.51933%0.326SS..THydrogen-bonded Turntrans-88.7-0.8179-57.5-49.1000113.5L96 Y194 I250L96-N252 VanDerWaalsContact CD1-ND2 3.25Å; L96-N252 WeakPolarHBondContact CD1-ND2 3.5Å; Y194-N252 HydrophobicContact CD1-CB 4.29Å; Y194-N252 VanDerWaalsContact CE1-O 3.3Å; Y194-N252 WeakPolarHBondContact CE1-O 3.37Å; I250-N252 PolarHBondContact O-N 3.05Å; I250-N252 VanDerWaalsContact O-N 3.1Å
253A96.4Very high96.7Very high14 Ų1454.4 Ų54.412%0.11630%0.297CS..SBendtrans-98.2135.8178.200000111.4Y194 I250 I258Y194-A253 HydrophobicContact CD1-CB 3.85Å; Y194-A253 HydrophobicContact CD2-CB 4Å; Y194-A253 HydrophobicContact CE1-CB 3.53Å; Y194-A253 HydrophobicContact CE2-CB 3.7Å; Y194-A253 HydrophobicContact CG-CB 4.07Å; Y194-A253 VanDerWaalsContact CZ-CB 3.43Å; I250-A253 HydrophobicContact CG2-CB 3.73Å; I250-A253 PolarHBondContact O-N 2.96Å; A253-I258 HydrophobicContact CB-CD1 3.83Å; A253-I258 HydrophobicContact CB-CG1 4.01Å
254N96.3Very high96.8Very high51 Ų5150 Ų5027%0.27327%0.269SS..  trans-66.7166.5172.190.716.8000111.4E99 R103 E256 G257 I258E99-N254 PolarHBondContact OE1-ND2 3.46Å; E99-N254 WeakPolarHBondContact OE2-CB 3.44Å; E99-N254 PolarHBondContact OE2-N 2.69Å; R103-N254 PolarHBondContact NH2-ND2 3.1Å; N254-E256 VanDerWaalsContact C-N 3.31Å; N254-E256 PolarHBondContact O-N 3.19Å; N254-E256 VanDerWaalsContact OD1-CA 3.32Å; N254-E256 WeakPolarHBondContact OD1-CA 3.38Å; N254-E256 VanDerWaalsContact OD1-CB 3.26Å; N254-E256 WeakPolarHBondContact OD1-CB 3.31Å; N254-E256 PolarHBondContact OD1-N 2.98Å; N254-G257 PolarHBondContact O-N 3.07Å; N254-G257 PolarHBondContact OD1-N 3.2Å; N254-I258 PolarHBondContact O-N 2.97Å
255H97.2Very high96.9Very high151 Ų15147.6 Ų47.670%0.69925%0.254SS*.Hα-helixtrans-57.2-39.2-178.9176.569.9000113.7G257 I258 Q259H255-G257 VanDerWaalsContact C-N 3.32Å; H255-G257 PolarHBondContact O-N 3.32Å; H255-I258 PolarHBondContact O-N 3.37Å; H255-Q259 WeakPolarHBondContact O-CB 3.39Å; H255-Q259 PolarHBondContact O-N 3.11Å
256E97.7Very high97Very high65 Ų6545.5 Ų45.530%0.30424%0.241SC..Hα-helixtrans-66.3-34.8176.6-45.3177.512400112N254 L260 P282 Y283N254-E256 VanDerWaalsContact C-N 3.31Å; N254-E256 PolarHBondContact O-N 3.19Å; N254-E256 VanDerWaalsContact OD1-CA 3.32Å; N254-E256 WeakPolarHBondContact OD1-CA 3.38Å; N254-E256 VanDerWaalsContact OD1-CB 3.26Å; N254-E256 WeakPolarHBondContact OD1-CB 3.31Å; N254-E256 PolarHBondContact OD1-N 2.98Å; E256-L260 WeakPolarHBondContact O-CB 3.47Å; E256-L260 PolarHBondContact O-N 3.07Å; E256-P282 HydrophobicContact CB-CB 4.42Å; E256-P282 HydrophobicContact CG-CB 4.11Å; E256-P282 WeakPolarHBondContact OE1-CB 3.38Å; E256-Y283 HydrophobicContact CB-CD2 4.15Å; E256-Y283 WeakPolarHBondContact OE2-CA 3.36Å
257G97.8Very high97Very high0 Ų046.5 Ų46.50%025%0.245CC..Hα-helixtrans-70.8-43.8176.300000112N254 H255 Q259 L260 I261 Y283N254-G257 PolarHBondContact O-N 3.07Å; N254-G257 PolarHBondContact OD1-N 3.2Å; H255-G257 VanDerWaalsContact C-N 3.32Å; H255-G257 PolarHBondContact O-N 3.32Å; G257-Q259 VanDerWaalsContact C-N 3.34Å; G257-Q259 PolarHBondContact O-N 3.48Å; G257-L260 PolarHBondContact O-N 3.18Å; G257-I261 VanDerWaalsContact O-CG1 3.29Å; G257-I261 WeakPolarHBondContact O-CG1 3.34Å; G257-I261 PolarHBondContact O-N 3Å; G257-Y283 VanDerWaalsContact CA-CD2 3.46Å
258I98.3Very high97Very high13 Ų1341.6 Ų41.67%0.06722%0.222CC..Hα-helixtrans-58.2-46.4170.8-67.4-64.2000110.7L246 H247 I250 A253 N254 H255 I261 L262L246-I258 HydrophobicContact CB-CG2 4.27Å; L246-I258 HydrophobicContact CD2-CD1 4.49Å; L246-I258 HydrophobicContact CD2-CG2 4.45Å; L246-I258 HydrophobicContact CG-CD1 4.24Å; H247-I258 HydrophobicContact CB-CD1 4.35Å; H247-I258 HydrophobicContact CB-CG1 4.33Å; I250-I258 HydrophobicContact CB-CD1 3.88Å; I250-I258 HydrophobicContact CG2-CD1 4.45Å; A253-I258 HydrophobicContact CB-CD1 3.83Å; A253-I258 HydrophobicContact CB-CG1 4.01Å; N254-I258 PolarHBondContact O-N 2.97Å; H255-I258 PolarHBondContact O-N 3.37Å; I258-I261 PolarHBondContact O-N 2.83Å; I258-L262 HydrophobicContact CG2-CD1 3.98Å; I258-L262 WeakPolarHBondContact O-CG 3.38Å; I258-L262 PolarHBondContact O-N 3.31Å
259Q98Very high97.1Very high80 Ų8039.1 Ų39.137%0.37421%0.208SC..Hα-helixtrans-63.2-43.7178.2-174.259.147.600112H255 G257 I261 L262 D263H255-Q259 WeakPolarHBondContact O-CB 3.39Å; H255-Q259 PolarHBondContact O-N 3.11Å; G257-Q259 VanDerWaalsContact C-N 3.34Å; G257-Q259 PolarHBondContact O-N 3.48Å; Q259-I261 VanDerWaalsContact C-N 3.33Å; Q259-I261 PolarHBondContact O-N 2.98Å; Q259-L262 PolarHBondContact O-N 2.99Å; Q259-D263 PolarHBondContact NE2-OD1 2.96Å; Q259-D263 WeakPolarHBondContact O-CB 3.29Å; Q259-D263 PolarHBondContact O-N 3.24Å
260L98.5Very high97.1Very high1 Ų142.7 Ų42.71%0.00522%0.22CC..Hα-helixtrans-61.7-39.9176.6177.360.9000111.9M190 E256 G257 L264 A278 R281 Y283 F284M190-L260 HydrophobicContact CE-CB 4.46Å; M190-L260 HydrophobicContact CE-CD2 4.03Å; M190-L260 HydrophobicContact CE-CG 4.47Å; M190-L260 HydrophobicContact SD-CD2 3.88Å; M190-L260 HydrophobicContact SD-CG 4.14Å; E256-L260 WeakPolarHBondContact O-CB 3.47Å; E256-L260 PolarHBondContact O-N 3.07Å; G257-L260 PolarHBondContact O-N 3.18Å; L260-L264 HydrophobicContact CD1-CD1 3.96Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 3.98Å; L260-L264 WeakPolarHBondContact O-CB 3.46Å; L260-L264 WeakPolarHBondContact O-CD1 3.24Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.44Å; L260-L264 VanDerWaalsContact O-N 3.11Å; L260-A278 HydrophobicContact CD1-CB 4.25Å; L260-R281 HydrophobicContact CD1-CB 4.33Å; L260-R281 HydrophobicContact CD1-CG 4.05Å; L260-Y283 HydrophobicContact CD2-CD1 3.59Å; L260-Y283 HydrophobicContact CD2-CE1 4.23Å; L260-Y283 HydrophobicContact CD2-CG 4.16Å; L260-F284 HydrophobicContact CD2-CD2 4.4Å; L260-F284 HydrophobicContact CD2-CE2 3.42Å; L260-F284 VanDerWaalsContact CD2-CE2 3.42Å; L260-F284 HydrophobicContact CD2-CZ 3.54Å
261I98.6Very high97.1Very high0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-64.1-47.5175.4-63.8163.6000110.2M190 A191 Y194 L246 I250 G257 I258 Q259 D263 L264 I265M190-I261 HydrophobicContact CB-CG1 4.1Å; M190-I261 HydrophobicContact CE-CD1 4.23Å; M190-I261 HydrophobicContact CE-CG1 3.96Å; M190-I261 HydrophobicContact CG-CD1 3.95Å; M190-I261 HydrophobicContact CG-CG1 3.69Å; M190-I261 HydrophobicContact SD-CD1 4.39Å; M190-I261 HydrophobicContact SD-CG1 3.68Å; A191-I261 HydrophobicContact CB-CD1 4.49Å; A191-I261 HydrophobicContact CB-CG2 4.44Å; Y194-I261 HydrophobicContact CD2-CD1 4.3Å; Y194-I261 HydrophobicContact CE2-CD1 4.4Å; L246-I261 HydrophobicContact CD2-CB 3.94Å; L246-I261 HydrophobicContact CD2-CG2 3.63Å; I250-I261 HydrophobicContact CD1-CD1 3.8Å; G257-I261 VanDerWaalsContact O-CG1 3.29Å; G257-I261 WeakPolarHBondContact O-CG1 3.34Å; G257-I261 PolarHBondContact O-N 3Å; I258-I261 PolarHBondContact O-N 2.83Å; Q259-I261 VanDerWaalsContact C-N 3.33Å; Q259-I261 PolarHBondContact O-N 2.98Å; I261-D263 PolarHBondContact O-N 3.42Å; I261-L264 PolarHBondContact O-N 3.06Å; I261-L264 VanDerWaalsContact O-N 3.16Å; I261-I265 HydrophobicContact CG2-CD1 3.92Å; I261-I265 HydrophobicContact CG2-CG2 4.42Å; I261-I265 WeakPolarHBondContact O-CG1 3.37Å; I261-I265 PolarHBondContact O-N 2.99Å
262L98.1Very high97.2Very high64 Ų6444.6 Ų44.634%0.33522%0.22SC..Hα-helixtrans-58.6-43.4178.2-73.5170.1000112.7L216 L246 I258 Q259 L264 S266L216-L262 HydrophobicContact CD2-CD2 4.48Å; L246-L262 HydrophobicContact CB-CD2 4.13Å; L246-L262 HydrophobicContact CB-CG 4.46Å; L246-L262 HydrophobicContact CD2-CD2 3.88Å; L246-L262 HydrophobicContact CD2-CG 3.84Å; I258-L262 HydrophobicContact CG2-CD1 3.98Å; I258-L262 WeakPolarHBondContact O-CG 3.38Å; I258-L262 PolarHBondContact O-N 3.31Å; Q259-L262 PolarHBondContact O-N 2.99Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 2.72Å; L262-S266 PolarHBondContact O-N 2.74Å
263D98.2Very high97.5Very high19 Ų1940.6 Ų40.610%0.10220%0.199CC..Hα-helixtrans-57.6-46.3174.5-67.4-29.3000111.4Q259 I261 P273 R281Q259-D263 PolarHBondContact NE2-OD1 2.96Å; Q259-D263 WeakPolarHBondContact O-CB 3.29Å; Q259-D263 PolarHBondContact O-N 3.24Å; I261-D263 PolarHBondContact O-N 3.42Å; D263-P273 HydrophobicContact CB-CG 4.06Å; D263-P273 WeakPolarHBondContact O-CD 3.49Å; D263-R281 IonicContact OD1-NH2 2.63Å; D263-R281 PolarHBondContact OD1-NH2 3.43Å; D263-R281 IonicContact OD2-CZ 3.35Å; D263-R281 IonicContact OD2-NE 2.84Å; D263-R281 PolarHBondContact OD2-NE 2.98Å; D263-R281 IonicContact OD2-NH2 2.68Å; D263-R281 PolarHBondContact OD2-NH2 3.32Å
264L98.6Very high97.6Very high0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-70.5-38.6-176.2-72.8170.3000112.8L183 F184 V186 L260 I261 L262 S266 R272 P273 A278L183-L264 HydrophobicContact CB-CD2 3.87Å; L183-L264 HydrophobicContact CD1-CD2 3.85Å; L183-L264 HydrophobicContact CG-CD2 4.25Å; F184-L264 WeakPolarHBondContact CA-O 3.49Å; V186-L264 HydrophobicContact CG1-CD1 4.11Å; L260-L264 HydrophobicContact CD1-CD1 3.96Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 3.98Å; L260-L264 WeakPolarHBondContact O-CB 3.46Å; L260-L264 WeakPolarHBondContact O-CD1 3.24Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.44Å; L260-L264 VanDerWaalsContact O-N 3.11Å; I261-L264 PolarHBondContact O-N 3.06Å; I261-L264 VanDerWaalsContact O-N 3.16Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 2.72Å; L264-S266 VanDerWaalsContact C-N 3.35Å; L264-R272 VanDerWaalsContact O-CD 3.23Å; L264-R272 WeakPolarHBondContact O-CD 3.46Å; L264-R272 WeakPolarHBondContact O-CG 3.38Å; L264-P273 HydrophobicContact CD2-CG 4.31Å; L264-A278 HydrophobicContact CD2-CB 4.38Å
265I98.1Very high97.7Very high0 Ų040.8 Ų40.80%020%0.201CC..THydrogen-bonded Turntrans-90.99.9-177.671.5-172.3000114.3F184 L199 F200 L216 I261 W267F184-I265 HydrophobicContact CD2-CB 4.11Å; F184-I265 HydrophobicContact CE2-CB 3.97Å; F184-I265 WeakPolarHBondContact CE2-O 3.49Å; L199-I265 HydrophobicContact CD2-CD1 3.96Å; F200-I265 HydrophobicContact CZ-CD1 4.38Å; L216-I265 HydrophobicContact CD1-CB 4.46Å; L216-I265 HydrophobicContact CD1-CD1 4.4Å; L216-I265 HydrophobicContact CD1-CG1 4.04Å; L216-I265 VanDerWaalsContact CD1-O 3.24Å; L216-I265 WeakPolarHBondContact CD1-O 3.28Å; L216-I265 HydrophobicContact CD2-CD1 3.75Å; L216-I265 HydrophobicContact CD2-CG1 3.96Å; L216-I265 HydrophobicContact CG-CD1 4.5Å; I261-I265 HydrophobicContact CG2-CD1 3.92Å; I261-I265 HydrophobicContact CG2-CG2 4.42Å; I261-I265 WeakPolarHBondContact O-CG1 3.37Å; I261-I265 PolarHBondContact O-N 2.99Å; I265-W267 PolarHBondContact O-N 3.46Å
266S97.6Very high97.7Very high31 Ų3141.6 Ų41.622%0.21720%0.198CC..  trans-52.6136.8-178.7-173.40000113.2L262 L264 N268 R272L262-S266 PolarHBondContact O-N 2.74Å; L264-S266 VanDerWaalsContact C-N 3.35Å; S266-N268 PolarHBondContact O-N 3.01Å; S266-R272 PolarHBondContact O-NE 2.75Å; S266-R272 PolarHBondContact O-NH2 3.35Å; S266-R272 VanDerWaalsContact O-NH2 3.16Å
267W97.2Very high97.7Very high26 Ų2642.9 Ų42.910%0.09820%0.204CC..SBendtrans-53.5-53-177.7-84.8116000112.4P168 V209 I212 L216 G217 P219 W224 F238 I265 P269 R272P168-W267 HydrophobicContact CB-CE3 3.76Å; P168-W267 HydrophobicContact CB-CZ3 3.57Å; P168-W267 HydrophobicContact CG-CE3 3.85Å; P168-W267 HydrophobicContact CG-CZ3 4.15Å; V209-W267 HydrophobicContact CG1-CH2 4.45Å; I212-W267 HydrophobicContact CB-CH2 3.81Å; I212-W267 HydrophobicContact CB-CZ2 4.15Å; I212-W267 HydrophobicContact CB-CZ3 4.47Å; I212-W267 HydrophobicContact CG2-CD2 4.43Å; I212-W267 HydrophobicContact CG2-CE3 4.39Å; I212-W267 HydrophobicContact CG2-CH2 3.45Å; I212-W267 VanDerWaalsContact CG2-CH2 3.45Å; I212-W267 HydrophobicContact CG2-CZ2 3.48Å; I212-W267 VanDerWaalsContact CG2-CZ2 3.48Å; I212-W267 HydrophobicContact CG2-CZ3 3.94Å; L216-W267 HydrophobicContact CB-CZ2 4.5Å; G217-W267 WeakPolarHBondContact O-CZ2 3.32Å; G217-W267 PolarHBondContact O-NE1 2.99Å; G217-W267 VanDerWaalsContact O-NE1 3.17Å; P219-W267 HydrophobicContact CB-CB 4.29Å; P219-W267 HydrophobicContact CB-CD2 3.78Å; P219-W267 HydrophobicContact CB-CE3 4.24Å; P219-W267 HydrophobicContact CB-CG 3.81Å; P219-W267 HydrophobicContact CG-CD2 4.15Å; P219-W267 HydrophobicContact CG-CE3 4.27Å; P219-W267 HydrophobicContact CG-CH2 4.42Å; P219-W267 HydrophobicContact CG-CZ2 4.3Å; P219-W267 HydrophobicContact CG-CZ3 4.4Å; W224-W267 HydrophobicContact CE3-CB 4.22Å; W224-W267 AromaticContact CE3-CE3 3.93Å; W224-W267 HydrophobicContact CE3-CE3 3.93Å; W224-W267 AromaticContact CZ3-CE3 3.57Å; W224-W267 HydrophobicContact CZ3-CE3 3.57Å; W224-W267 HydrophobicContact CZ3-CZ3 4.03Å; F238-W267 HydrophobicContact CE1-CH2 4.35Å; F238-W267 HydrophobicContact CE1-CZ3 4.17Å; I265-W267 PolarHBondContact O-N 3.46Å; W267-P269 WeakPolarHBondContact O-CD 3.4Å; W267-R272 PolarHBondContact O-NH2 3.43Å
268N96.2Very high97.7Very high12 Ų1242.9 Ų42.96%0.06420%0.204CC..SBendtrans-80.2119.2-179.9-170.5-24.9000109.9G223 W224 S266 K270 H271G223-N268 PolarHBondContact O-ND2 3.49Å; W224-N268 HydrophobicContact CB-CB 4.14Å; W224-N268 HydrophobicContact CG-CB 4.07Å; S266-N268 PolarHBondContact O-N 3.01Å; N268-K270 PolarHBondContact O-N 3.02Å; N268-K270 VanDerWaalsContact O-N 3.08Å; N268-K270 VanDerWaalsContact OD1-CB 3.3Å; N268-K270 WeakPolarHBondContact OD1-CB 3.47Å; N268-K270 WeakPolarHBondContact OD1-CG 3.48Å; N268-K270 PolarHBondContact OD1-N 2.93Å; N268-H271 PolarHBondContact O-N 2.8Å
269P96.6Very high97.7Very high29 Ų2942.8 Ų42.819%0.18820%0.203CC..G310 helixtrans-61.9-18.6179.424.3-33.6000113.8E169 P180 W267 H271E169-P269 HydrophobicContact CG-CG 4.42Å; P180-P269 HydrophobicContact CB-CB 3.86Å; P180-P269 HydrophobicContact CG-CB 4.5Å; W267-P269 WeakPolarHBondContact O-CD 3.4Å; P269-H271 VanDerWaalsContact C-N 3.25Å; P269-H271 PolarHBondContact O-N 2.92Å
270K95.5Very high97.7Very high148 Ų14844.9 Ų44.964%0.64321%0.211SC*.G310 helixtrans-72.9-13.1172.9-61.5171174.5173.10113.8E226 N268E226-K270 IonicContact OE1-NZ 2.69Å; E226-K270 PolarHBondContact OE1-NZ 3.48Å; N268-K270 PolarHBondContact O-N 3.02Å; N268-K270 VanDerWaalsContact O-N 3.08Å; N268-K270 VanDerWaalsContact OD1-CB 3.3Å; N268-K270 WeakPolarHBondContact OD1-CB 3.47Å; N268-K270 WeakPolarHBondContact OD1-CG 3.48Å; N268-K270 PolarHBondContact OD1-N 2.93Å
271H96.5Very high97.7Very high122 Ų12249.3 Ų49.357%0.56523%0.228SC*.G310 helixtrans-105.9-4.9179.5-64.5-28000113.4N268 P269N268-H271 PolarHBondContact O-N 2.8Å; P269-H271 VanDerWaalsContact C-N 3.25Å; P269-H271 PolarHBondContact O-N 2.92Å
272R97.8Very high97.6Very high14 Ų1452.8 Ų52.85%0.05325%0.251CS..SBendtrans-76.7132.3171.3-60.2177.4-160.3140.417108.9E169 P180 L264 S266 W267E169-R272 IonicContact OE1-CZ 3.84Å; E169-R272 IonicContact OE1-NH1 3.46Å; E169-R272 PolarHBondContact OE1-NH1 3.01Å; E169-R272 IonicContact OE1-NH2 2.83Å; E169-R272 IonicContact OE2-CZ 2.7Å; E169-R272 IonicContact OE2-NH1 3.85Å; E169-R272 PolarHBondContact OE2-NH1 3.45Å; E169-R272 IonicContact OE2-NH2 2.78Å; E169-R272 PolarHBondContact OE2-NH2 2.76Å; P180-R272 WeakPolarHBondContact O-CD 3.42Å; P180-R272 PolarHBondContact O-NH1 3.44Å; L264-R272 VanDerWaalsContact O-CD 3.23Å; L264-R272 WeakPolarHBondContact O-CD 3.46Å; L264-R272 WeakPolarHBondContact O-CG 3.38Å; S266-R272 PolarHBondContact O-NE 2.75Å; S266-R272 PolarHBondContact O-NH2 3.35Å; S266-R272 VanDerWaalsContact O-NH2 3.16Å; W267-R272 PolarHBondContact O-NH2 3.43Å
273P98.2Very high97.6Very high12 Ų1249.8 Ų49.88%0.07824%0.235CC..PPolyproline II helixtrans-65.5146.2176.428.7-34.7000110.1L183 D263 L264 E277 A278L183-P273 WeakPolarHBondContact CG-O 3.07Å; D263-P273 HydrophobicContact CB-CG 4.06Å; D263-P273 WeakPolarHBondContact O-CD 3.49Å; L264-P273 HydrophobicContact CD2-CG 4.31Å; P273-E277 HydrophobicContact CB-CB 3.86Å; P273-A278 HydrophobicContact CG-CB 4.32Å
274T98.2Very high97.6Very high68 Ų6848.9 Ų48.942%0.41723%0.23SC..PPolyproline II helixtrans-62.6160.7166.664.10000110.3R276 E277 A278T274-R276 PolarHBondContact O-N 2.88Å; T274-R276 VanDerWaalsContact O-N 3.13Å; T274-E277 VanDerWaalsContact CB-OE2 3.28Å; T274-E277 WeakPolarHBondContact CB-OE2 3.48Å; T274-E277 WeakPolarHBondContact CG2-OE2 3.27Å; T274-E277 PolarHBondContact N-OE2 3.19Å; T274-E277 WeakPolarHBondContact O-CA 3.31Å; T274-E277 PolarHBondContact O-N 3.47Å; T274-E277 VanDerWaalsContact OG1-CD 3.26Å; T274-E277 WeakPolarHBondContact OG1-CG 3.31Å; T274-E277 PolarHBondContact OG1-N 2.7Å; T274-E277 PolarHBondContact OG1-OE2 2.93Å; T274-A278 PolarHBondContact O-N 3.29Å
275A98.3Very high97.4Very high1 Ų156.1 Ų56.11%0.00826%0.261CS..Hα-helixtrans-54.9-35.1176.600000112.6L110 L113 N114 L183 E277 L279L110-A275 HydrophobicContact CD2-CB 4.33Å; L113-A275 HydrophobicContact CB-CB 4.15Å; N114-A275 HydrophobicContact CB-CB 3.82Å; L183-A275 HydrophobicContact CD1-CB 4.15Å; A275-E277 VanDerWaalsContact C-N 3.3Å; A275-E277 PolarHBondContact O-N 2.81Å; A275-L279 WeakPolarHBondContact O-CD1 3.04Å; A275-L279 VanDerWaalsContact O-CG 3.26Å; A275-L279 WeakPolarHBondContact O-CG 3.27Å; A275-L279 PolarHBondContact O-N 2.98Å; A275-L279 VanDerWaalsContact O-N 3.12Å
276R97.7Very high97.2Very high168 Ų16858.9 Ų58.963%0.63428%0.278SS*.Hα-helixtrans-64.6-29.9174.5-166.5-179.3-179.5-159.41.1113.6N114 T274 K280N114-R276 WeakPolarHBondContact OD1-CB 3.25Å; T274-R276 PolarHBondContact O-N 2.88Å; T274-R276 VanDerWaalsContact O-N 3.13Å; R276-K280 WeakPolarHBondContact O-CG 3.41Å
277E98.2Very high97Very high92 Ų9258.2 Ų58.243%0.4327%0.272SS..Hα-helixtrans-89.5-35.9179.6-69.5158142.200111.6P273 T274 A275 L279 K280 R281P273-E277 HydrophobicContact CB-CB 3.86Å; T274-E277 VanDerWaalsContact CB-OE2 3.28Å; T274-E277 WeakPolarHBondContact CB-OE2 3.48Å; T274-E277 WeakPolarHBondContact CG2-OE2 3.27Å; T274-E277 PolarHBondContact N-OE2 3.19Å; T274-E277 WeakPolarHBondContact O-CA 3.31Å; T274-E277 PolarHBondContact O-N 3.47Å; T274-E277 VanDerWaalsContact OG1-CD 3.26Å; T274-E277 WeakPolarHBondContact OG1-CG 3.31Å; T274-E277 PolarHBondContact OG1-N 2.7Å; T274-E277 PolarHBondContact OG1-OE2 2.93Å; A275-E277 VanDerWaalsContact C-N 3.3Å; A275-E277 PolarHBondContact O-N 2.81Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 3.13Å; E277-K280 WeakPolarHBondContact O-CA 3.32Å; E277-K280 WeakPolarHBondContact O-CB 3.45Å; E277-K280 PolarHBondContact O-N 3.27Å; E277-R281 PolarHBondContact O-N 2.87Å
278A98.5Very high96.9Very high0 Ų061.4 Ų61.40%028%0.284CS..Hα-helixtrans-56-46.8170.400000110.8L110 L260 L264 P273 T274 K280 R281 F284L110-A278 HydrophobicContact CD1-CB 3.74Å; L110-A278 HydrophobicContact CD2-CB 4Å; L260-A278 HydrophobicContact CD1-CB 4.25Å; L264-A278 HydrophobicContact CD2-CB 4.38Å; P273-A278 HydrophobicContact CG-CB 4.32Å; T274-A278 PolarHBondContact O-N 3.29Å; A278-K280 PolarHBondContact O-N 3.42Å; A278-K280 VanDerWaalsContact O-N 3.09Å; A278-R281 WeakPolarHBondContact O-CB 3.42Å; A278-R281 PolarHBondContact O-N 2.89Å; A278-F284 VanDerWaalsContact O-CD2 3.26Å; A278-F284 WeakPolarHBondContact O-CD2 3.39Å; A278-F284 WeakPolarHBondContact O-CE2 3.14Å
279L97.9Very high96.7Very high11 Ų1163.8 Ų63.86%0.05831%0.305CS..THydrogen-bonded Turntrans-60.3-17.1173.8-70166.3000114.4W107 L110 N114 A275 E277 R288W107-L279 HydrophobicContact CD2-CD2 3.62Å; W107-L279 HydrophobicContact CE3-CD2 3.53Å; W107-L279 HydrophobicContact CG-CD2 4.23Å; W107-L279 HydrophobicContact CH2-CB 4.39Å; W107-L279 HydrophobicContact CH2-CD2 3.94Å; W107-L279 HydrophobicContact CZ2-CD2 4Å; W107-L279 HydrophobicContact CZ3-CB 4.26Å; W107-L279 HydrophobicContact CZ3-CD2 3.7Å; L110-L279 HydrophobicContact CB-CD1 4.36Å; L110-L279 HydrophobicContact CB-CD2 3.68Å; L110-L279 HydrophobicContact CB-CG 3.84Å; L110-L279 HydrophobicContact CD1-CD2 4.46Å; N114-L279 HydrophobicContact CB-CD1 4.04Å; A275-L279 WeakPolarHBondContact O-CD1 3.04Å; A275-L279 VanDerWaalsContact O-CG 3.26Å; A275-L279 WeakPolarHBondContact O-CG 3.27Å; A275-L279 PolarHBondContact O-N 2.98Å; A275-L279 VanDerWaalsContact O-N 3.12Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 3.13Å; L279-R288 WeakPolarHBondContact O-CD 3.35Å
280K97.3Very high96.3Very high125 Ų12566.2 Ų66.254%0.54332%0.316SS..THydrogen-bonded Turntrans-91.4-9.9175.4-68.3174.9180-176.80113.8R276 E277 A278 R288R276-K280 WeakPolarHBondContact O-CG 3.41Å; E277-K280 WeakPolarHBondContact O-CA 3.32Å; E277-K280 WeakPolarHBondContact O-CB 3.45Å; E277-K280 PolarHBondContact O-N 3.27Å; A278-K280 PolarHBondContact O-N 3.42Å; A278-K280 VanDerWaalsContact O-N 3.09Å; K280-R288 VanDerWaalsContact O-CZ 3.23Å; K280-R288 PolarHBondContact O-NH1 3.03Å; K280-R288 VanDerWaalsContact O-NH1 3.09Å; K280-R288 PolarHBondContact O-NH2 2.78Å
281R97.7Very high95.9Very high94 Ų9463.6 Ų63.636%0.35531%0.305SS..SBendtrans-63.3154.5-177.6-70.9-54.8-147.5-152.110.7112.6L260 D263 E277 A278 Y283 F284 R288L260-R281 HydrophobicContact CD1-CB 4.33Å; L260-R281 HydrophobicContact CD1-CG 4.05Å; D263-R281 IonicContact OD1-NH2 2.63Å; D263-R281 PolarHBondContact OD1-NH2 3.43Å; D263-R281 IonicContact OD2-CZ 3.35Å; D263-R281 IonicContact OD2-NE 2.84Å; D263-R281 PolarHBondContact OD2-NE 2.98Å; D263-R281 IonicContact OD2-NH2 2.68Å; D263-R281 PolarHBondContact OD2-NH2 3.32Å; E277-R281 PolarHBondContact O-N 2.87Å; A278-R281 WeakPolarHBondContact O-CB 3.42Å; A278-R281 PolarHBondContact O-N 2.89Å; R281-Y283 PolarHBondContact O-N 3.44Å; R281-Y283 VanDerWaalsContact O-N 3.15Å; R281-F284 PolarHBondContact O-N 3.26Å; R281-F284 VanDerWaalsContact O-N 3.07Å; R281-R288 PolarHBondContact O-NH2 3.34Å
282P97.4Very high95.4Very high73 Ų7359.5 Ų59.547%0.47430%0.296SS..G310 helixtrans-51-39.5-176.5-29.837.2000113.8E256 F284 K285E256-P282 HydrophobicContact CB-CB 4.42Å; E256-P282 HydrophobicContact CG-CB 4.11Å; E256-P282 WeakPolarHBondContact OE1-CB 3.38Å; P282-F284 PolarHBondContact O-N 3.5Å; P282-K285 WeakPolarHBondContact O-CB 3.27Å; P282-K285 PolarHBondContact O-N 2.98Å
283Y98.1Very high94.8Very high1 Ų162.1 Ų62.10%0.00431%0.313CS..G310 helixtrans-48.7-27.1176.7-172.6-106.9000115.3E99 R103 M190 Y194 E256 G257 L260 R281E99-Y283 HydrophobicContact CG-CE2 3.99Å; R103-Y283 HydrophobicContact CB-CE1 3.9Å; R103-Y283 VanDerWaalsContact CD-O 3.32Å; R103-Y283 WeakPolarHBondContact CD-O 3.27Å; R103-Y283 HydrophobicContact CG-CD1 4.25Å; R103-Y283 HydrophobicContact CG-CE1 3.91Å; R103-Y283 PolarHBondContact NE-O 2.98Å; M190-Y283 HydrophobicContact CE-CD1 4.17Å; M190-Y283 HydrophobicContact CE-CE1 3.57Å; M190-Y283 HydrophobicContact CE-CE2 4.1Å; Y194-Y283 WeakPolarHBondContact OH-CE2 3.38Å; Y194-Y283 PolarHBondContact OH-OH 3.36Å; E256-Y283 HydrophobicContact CB-CD2 4.15Å; E256-Y283 WeakPolarHBondContact OE2-CA 3.36Å; G257-Y283 VanDerWaalsContact CA-CD2 3.46Å; L260-Y283 HydrophobicContact CD2-CD1 3.59Å; L260-Y283 HydrophobicContact CD2-CE1 4.23Å; L260-Y283 HydrophobicContact CD2-CG 4.16Å; R281-Y283 PolarHBondContact O-N 3.44Å; R281-Y283 VanDerWaalsContact O-N 3.15Å
284F97.9Very high94.1Very high0 Ų065.8 Ų65.80%033%0.331CS..G310 helixtrans-102.420176.7-57.7-64.6000114.3R103 I106 W107 L110 L260 A278 R281 P282 T286 R288R103-F284 HydrophobicContact CG-CD1 3.9Å; R103-F284 HydrophobicContact CG-CE1 4.17Å; I106-F284 HydrophobicContact CB-CZ 4.46Å; I106-F284 HydrophobicContact CG2-CZ 3.98Å; W107-F284 HydrophobicContact CB-CD1 4.2Å; W107-F284 HydrophobicContact CB-CE1 4.04Å; W107-F284 HydrophobicContact CE3-CB 3.74Å; W107-F284 AromaticContact CE3-CD1 3.77Å; W107-F284 HydrophobicContact CE3-CD1 3.77Å; W107-F284 AromaticContact CE3-CG 3.76Å; W107-F284 HydrophobicContact CE3-CG 3.76Å; W107-F284 HydrophobicContact CZ3-CB 3.78Å; W107-F284 HydrophobicContact CZ3-CG 4.2Å; L110-F284 HydrophobicContact CD1-CE2 3.73Å; L110-F284 HydrophobicContact CD1-CZ 3.76Å; L260-F284 HydrophobicContact CD2-CD2 4.4Å; L260-F284 HydrophobicContact CD2-CE2 3.42Å; L260-F284 VanDerWaalsContact CD2-CE2 3.42Å; L260-F284 HydrophobicContact CD2-CZ 3.54Å; A278-F284 VanDerWaalsContact O-CD2 3.26Å; A278-F284 WeakPolarHBondContact O-CD2 3.39Å; A278-F284 WeakPolarHBondContact O-CE2 3.14Å; R281-F284 PolarHBondContact O-N 3.26Å; R281-F284 VanDerWaalsContact O-N 3.07Å; P282-F284 PolarHBondContact O-N 3.5Å; F284-T286 VanDerWaalsContact C-N 3.34Å; F284-T286 PolarHBondContact O-N 3.39Å; F284-R288 WeakPolarHBondContact O-CB 3.37Å; F284-R288 WeakPolarHBondContact O-CG 3.29Å; F284-R288 PolarHBondContact O-N 3.4Å; F284-R288 VanDerWaalsContact O-N 3.09Å; F284-R288 PolarHBondContact O-NE 3.27Å; F284-R288 VanDerWaalsContact O-NE 3.13Å
285K95.6Very high93.2Very high152 Ų15266.1 Ų66.166%0.66134%0.336SS*.Hα-helixtrans-62.5-38.6178.9-176.2176.5179.5-179.30112P282 A289P282-K285 WeakPolarHBondContact O-CB 3.27Å; P282-K285 PolarHBondContact O-N 2.98Å; K285-A289 WeakPolarHBondContact O-CB 3.13Å; K285-A289 PolarHBondContact O-N 3.08Å; K285-A289 VanDerWaalsContact O-N 3.07Å
286T93.4Very high92.2Very high58 Ų5870.4 Ų70.436%0.35637%0.366SS..Hα-helixtrans-63.7-55.7177.5550000111.8R103 F284 R288 A289 L290R103-T286 VanDerWaalsContact CD-OG1 3.27Å; R103-T286 WeakPolarHBondContact CD-OG1 3.28Å; F284-T286 VanDerWaalsContact C-N 3.34Å; F284-T286 PolarHBondContact O-N 3.39Å; T286-R288 VanDerWaalsContact C-N 3.3Å; T286-R288 PolarHBondContact O-N 3.43Å; T286-A289 WeakPolarHBondContact O-CB 3.33Å; T286-A289 PolarHBondContact O-N 3.37Å; T286-A289 VanDerWaalsContact O-N 3.12Å; T286-L290 WeakPolarHBondContact O-CG 3.49Å; T286-L290 PolarHBondContact O-N 3.33Å
287I93.6Very high90.9Very high17 Ų1763.1 Ų63.19%0.08734%0.342CS..Hα-helixtrans-60.8-38.1-179.6-63.5-175.3000111.6R103 W107 L290 K291R103-I287 HydrophobicContact CG-CD1 3.78Å; R103-I287 HydrophobicContact CG-CG1 4.28Å; W107-I287 HydrophobicContact CB-CD1 3.87Å; W107-I287 HydrophobicContact CD2-CB 4.42Å; W107-I287 HydrophobicContact CD2-CG2 3.62Å; W107-I287 HydrophobicContact CE3-CB 4.16Å; W107-I287 HydrophobicContact CE3-CG2 3.78Å; W107-I287 HydrophobicContact CG-CD1 4.23Å; W107-I287 HydrophobicContact CG-CG2 3.99Å; W107-I287 HydrophobicContact CZ3-CG2 4.29Å; I287-L290 PolarHBondContact O-N 2.98Å; I287-K291 HydrophobicContact CG2-CG 4.49Å; I287-K291 PolarHBondContact O-N 2.77Å
288R93.5Very high89.2Confident93 Ų9364.2 Ų64.235%0.35135%0.35SS..Hα-helixtrans-65.1-40.8175-74.9-178.2-69.1165.9-10.7112.8W107 L279 K280 R281 F284 T286 G292W107-R288 HydrophobicContact CH2-CG 3.76Å; W107-R288 HydrophobicContact CZ3-CG 3.67Å; L279-R288 WeakPolarHBondContact O-CD 3.35Å; K280-R288 VanDerWaalsContact O-CZ 3.23Å; K280-R288 PolarHBondContact O-NH1 3.03Å; K280-R288 VanDerWaalsContact O-NH1 3.09Å; K280-R288 PolarHBondContact O-NH2 2.78Å; R281-R288 PolarHBondContact O-NH2 3.34Å; F284-R288 WeakPolarHBondContact O-CB 3.37Å; F284-R288 WeakPolarHBondContact O-CG 3.29Å; F284-R288 PolarHBondContact O-N 3.4Å; F284-R288 VanDerWaalsContact O-N 3.09Å; F284-R288 PolarHBondContact O-NE 3.27Å; F284-R288 VanDerWaalsContact O-NE 3.13Å; T286-R288 VanDerWaalsContact C-N 3.3Å; T286-R288 PolarHBondContact O-N 3.43Å; R288-G292 PolarHBondContact O-N 3.31Å
289A91.9Very high87.4Confident61 Ų6171.3 Ų71.350%0.50439%0.389SS..Hα-helixtrans-63.7-43.6174.400000111.6K285 T286 G292 V293K285-A289 WeakPolarHBondContact O-CB 3.13Å; K285-A289 PolarHBondContact O-N 3.08Å; K285-A289 VanDerWaalsContact O-N 3.07Å; T286-A289 WeakPolarHBondContact O-CB 3.33Å; T286-A289 PolarHBondContact O-N 3.37Å; T286-A289 VanDerWaalsContact O-N 3.12Å; A289-G292 PolarHBondContact O-N 3.48Å; A289-V293 WeakPolarHBondContact O-CG2 3.44Å; A289-V293 PolarHBondContact O-N 3.04Å
290L89.9Confident85Confident81 Ų8172.8 Ų72.842%0.42441%0.406SS..Hα-helixtrans-62.7-48.6176.6-69.5171000112.3T286 I287 G292 V293 I294 L310T286-L290 WeakPolarHBondContact O-CG 3.49Å; T286-L290 PolarHBondContact O-N 3.33Å; I287-L290 PolarHBondContact O-N 2.98Å; L290-G292 VanDerWaalsContact C-N 3.28Å; L290-G292 PolarHBondContact O-N 3.17Å; L290-V293 PolarHBondContact O-N 3.15Å; L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.31Å; L290-L310 HydrophobicContact CD2-CD2 4.23Å
291K87.2Confident82.6Confident93 Ų9374.9 Ų74.940%0.40442%0.424SS..Hα-helixtrans-57.9-40.9173.9-78.3-164.3175.7-166.10111.3W107 D111 I287 I294 S295W107-K291 HydrophobicContact CZ2-CD 3.9Å; W107-K291 VanDerWaalsContact NE1-NZ 3.15Å; D111-K291 IonicContact OD2-NZ 2.76Å; D111-K291 PolarHBondContact OD2-NZ 3.45Å; I287-K291 HydrophobicContact CG2-CG 4.49Å; I287-K291 PolarHBondContact O-N 2.77Å; K291-I294 PolarHBondContact O-N 3.31Å; K291-S295 WeakPolarHBondContact O-CB 3.24Å; K291-S295 PolarHBondContact O-N 3.29Å; K291-S295 PolarHBondContact O-OG 3Å
292G84.3Confident80.3Confident36 Ų3678.5 Ų78.537%0.37144%0.442SS..Hα-helixtrans-60-47.6175.700000113.4R288 A289 L290 I294 S295 S296R288-G292 PolarHBondContact O-N 3.31Å; A289-G292 PolarHBondContact O-N 3.48Å; L290-G292 VanDerWaalsContact C-N 3.28Å; L290-G292 PolarHBondContact O-N 3.17Å; G292-I294 VanDerWaalsContact C-N 3.34Å; G292-I294 PolarHBondContact O-N 3.41Å; G292-S295 PolarHBondContact O-N 3.06Å; G292-S296 PolarHBondContact O-N 3.11Å; G292-S296 PolarHBondContact O-OG 3.4Å
293V86.4Confident78.1Confident69 Ų6979.2 Ų79.242%0.41844%0.444SS..Hα-helixtrans-61.1-42.4176.5172.80000111.4A289 L290 S296 A297 L310A289-V293 WeakPolarHBondContact O-CG2 3.44Å; A289-V293 PolarHBondContact O-N 3.04Å; L290-V293 PolarHBondContact O-N 3.15Å; V293-S296 PolarHBondContact O-N 3.3Å; V293-A297 VanDerWaalsContact O-CB 3.32Å; V293-A297 WeakPolarHBondContact O-CB 3.19Å; V293-A297 PolarHBondContact O-N 2.96Å; V293-L310 HydrophobicContact CG1-CD2 4.39Å
294I83.1Confident75.9Confident89 Ų8987.9 Ų87.946%0.45649%0.485SS..Hα-helixtrans-65.8-40.5177.7-64.9163.8000111.2L290 K291 G292 A297 N298L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.31Å; K291-I294 PolarHBondContact O-N 3.31Å; G292-I294 VanDerWaalsContact C-N 3.34Å; G292-I294 PolarHBondContact O-N 3.41Å; I294-A297 PolarHBondContact O-N 2.71Å; I294-N298 PolarHBondContact O-N 3.23Å
295S79.8Confident73.7Confident75 Ų7593.3 Ų93.352%0.52451%0.514SS..Hα-helixtrans-63.1-40.8175.3-68.30000112.6K291 G292K291-S295 WeakPolarHBondContact O-CB 3.24Å; K291-S295 PolarHBondContact O-N 3.29Å; K291-S295 PolarHBondContact O-OG 3Å; G292-S295 PolarHBondContact O-N 3.06Å
296S77.8Confident71.7Confident91 Ų9188.5 Ų88.564%0.63650%0.495SS*.Hα-helixtrans-68.5-37.2173.9-60.50000112.4G292 V293 N299G292-S296 PolarHBondContact O-N 3.11Å; G292-S296 PolarHBondContact O-OG 3.4Å; V293-S296 PolarHBondContact O-N 3.3Å; S296-N299 PolarHBondContact O-N 2.8Å
297A70Confident69.6Low14 Ų1489.6 Ų89.612%0.11651%0.505CS..Hα-helixtrans-65.2-36.1178.300000113.2V293 I294 N299 G300 I306V293-A297 VanDerWaalsContact O-CB 3.32Å; V293-A297 WeakPolarHBondContact O-CB 3.19Å; V293-A297 PolarHBondContact O-N 2.96Å; I294-A297 PolarHBondContact O-N 2.71Å; A297-N299 PolarHBondContact O-N 3.43Å; A297-G300 PolarHBondContact O-N 2.89Å; A297-G300 VanDerWaalsContact O-O 3.09Å; A297-I306 HydrophobicContact CB-CD1 3.51Å
298N61.6Low67.5Low115 Ų11594.6 Ų94.662%0.61553%0.528SS*.THydrogen-bonded Turntrans-75.2-9.7178.6-70.4-6000113.6I294I294-N298 PolarHBondContact O-N 3.23Å
299N61.1Low65.6Low150 Ų15093.6 Ų93.680%0.80253%0.53SS*.THydrogen-bonded Turntrans-100.813.2177-72.81.1000113S296 A297S296-N299 PolarHBondContact O-N 2.8Å; A297-N299 PolarHBondContact O-N 3.43Å
300G47.8Very low64Low42 Ų4293.6 Ų93.643%0.43352%0.521SS..SBendtrans-160.6127.7175.500000113.8A297 K302A297-G300 PolarHBondContact O-N 2.89Å; A297-G300 VanDerWaalsContact O-O 3.09Å; G300-K302 PolarHBondContact O-N 3.37Å
301D46.5Very low62.1Low169 Ų16996.2 Ų96.290%0.90453%0.531SS*.SBendtrans-64.883.7-173.1-68.2-67.6000114.3
302K49.3Very low60.6Low170 Ų17096.9 Ų96.974%0.73953%0.534SS*.  trans-156.924.4172.5-111.2150.5-170.6172.40115G300 Q304G300-K302 PolarHBondContact O-N 3.37Å; K302-Q304 PolarHBondContact O-N 2.97Å
303V51.6Low59.5Low87 Ų87102.1 Ų102.153%0.52755%0.546SS..G310 helixtrans-57.3-26.2-167.9179.70000115N305V303-N305 PolarHBondContact O-N 2.86Å
304Q52.2Low57.7Low184 Ų184102.1 Ų102.186%0.8655%0.549SS*.G310 helixtrans-70.3-25.2-172.6-69.1-175.4-8.400115.6K302K302-Q304 PolarHBondContact O-N 2.97Å
305N50.4Low56.7Low113 Ų113101.2 Ų101.260%0.60455%0.548SS*.G310 helixtrans-88.1-20.1-178-70.9-1000113.6V303 S307 Q308V303-N305 PolarHBondContact O-N 2.86Å; N305-S307 PolarHBondContact O-N 3.31Å; N305-Q308 PolarHBondContact O-N 3.32Å
306I54.3Low55.9Low52 Ų52101 Ų10127%0.26754%0.541SS..Hα-helixtrans-70.3-31.8-164.3-63.8175.6000112.3A297 Q308 D309 L310A297-I306 HydrophobicContact CB-CD1 3.51Å; I306-Q308 PolarHBondContact O-N 2.78Å; I306-D309 PolarHBondContact O-N 2.66Å; I306-L310 HydrophobicContact CG2-CD1 3.89Å; I306-L310 HydrophobicContact CG2-CG 4.14Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 3.44Å
307S48.5Very low55.2Low80 Ų80102.1 Ų102.156%0.55954%0.539SS*.Hα-helixtrans-59.8-43.3177.9-55.50000112.7N305 D309 L310 E311N305-S307 PolarHBondContact O-N 3.31Å; S307-D309 VanDerWaalsContact C-N 3.35Å; S307-D309 PolarHBondContact O-N 3.03Å; S307-L310 PolarHBondContact O-N 3.28Å; S307-E311 PolarHBondContact O-N 3.44Å
308Q50.8Low54.4Low123 Ų123106 Ų10658%0.57556%0.558SS**Hα-helixtrans-67.3-35.9179.7-65.5-173.8-0.100112N305 I306 E311 K312N305-Q308 PolarHBondContact O-N 3.32Å; I306-Q308 PolarHBondContact O-N 2.78Å; Q308-E311 PolarHBondContact O-N 3.49Å; Q308-K312 VanDerWaalsContact O-CG 3.27Å; Q308-K312 WeakPolarHBondContact O-CG 3.37Å; Q308-K312 PolarHBondContact O-N 2.76Å
309D54.2Low54.5Low72 Ų72108.3 Ų108.339%0.38556%0.558SS.*Hα-helixtrans-78.2-25.5178.6-71.6-15.8000112.9I306 S307 K312 K313I306-D309 PolarHBondContact O-N 2.66Å; S307-D309 VanDerWaalsContact C-N 3.35Å; S307-D309 PolarHBondContact O-N 3.03Å; D309-K312 IonicContact OD1-NZ 3.73Å; D309-K312 PolarHBondContact OD1-NZ 3.16Å; D309-K313 VanDerWaalsContact O-CB 3.31Å; D309-K313 WeakPolarHBondContact O-CB 3.47Å; D309-K313 VanDerWaalsContact O-CG 3.25Å; D309-K313 WeakPolarHBondContact O-CG 3.46Å; D309-K313 PolarHBondContact O-N 2.93Å
310L56.8Low54.8Low60 Ų60108.2 Ų108.231%0.31455%0.551SS.*Hα-helixtrans-68.9-42.2167.8-74.2172.2000111.5L290 V293 I306 S307 K313 S314L290-L310 HydrophobicContact CD2-CD2 4.23Å; V293-L310 HydrophobicContact CG1-CD2 4.39Å; I306-L310 HydrophobicContact CG2-CD1 3.89Å; I306-L310 HydrophobicContact CG2-CG 4.14Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 3.44Å; S307-L310 PolarHBondContact O-N 3.28Å; L310-K313 PolarHBondContact O-N 3.04Å; L310-S314 WeakPolarHBondContact O-CB 3.45Å; L310-S314 PolarHBondContact O-N 3.1Å
311E51.1Low55.2Low137 Ų137112.2 Ų112.264%0.6456%0.558SS**Hα-helixtrans-61.5-49.5173.1-73.7-176.6151.500111.5S307 Q308 K313 S314 T315S307-E311 PolarHBondContact O-N 3.44Å; Q308-E311 PolarHBondContact O-N 3.49Å; E311-K313 PolarHBondContact O-N 2.91Å; E311-S314 WeakPolarHBondContact O-CB 3.49Å; E311-S314 PolarHBondContact O-N 2.81Å; E311-S314 VanDerWaalsContact O-N 3.16Å; E311-T315 WeakPolarHBondContact O-CG2 3.5Å; E311-T315 PolarHBondContact O-N 2.86Å
312K55.6Low56Low106 Ų106111.1 Ų111.146%0.46155%0.545SS..Hα-helixtrans-54-53.3174.8-70.6168.4-156.1159.10111.5Q308 D309 S314 T315 D316Q308-K312 VanDerWaalsContact O-CG 3.27Å; Q308-K312 WeakPolarHBondContact O-CG 3.37Å; Q308-K312 PolarHBondContact O-N 2.76Å; D309-K312 IonicContact OD1-NZ 3.73Å; D309-K312 PolarHBondContact OD1-NZ 3.16Å; K312-S314 VanDerWaalsContact C-N 3.27Å; K312-S314 PolarHBondContact O-N 3.41Å; K312-T315 PolarHBondContact O-N 3.42Å; K312-T315 PolarHBondContact O-OG1 3.05Å; K312-D316 PolarHBondContact O-N 2.8Å
313K60Low56.8Low147 Ų147105.7 Ų105.764%0.63953%0.529SS*.Hα-helixtrans-58.6-36.9178.7-77.3171.5-179.9170.80112.6D309 L310 E311 L317D309-K313 VanDerWaalsContact O-CB 3.31Å; D309-K313 WeakPolarHBondContact O-CB 3.47Å; D309-K313 VanDerWaalsContact O-CG 3.25Å; D309-K313 WeakPolarHBondContact O-CG 3.46Å; D309-K313 PolarHBondContact O-N 2.93Å; L310-K313 PolarHBondContact O-N 3.04Å; E311-K313 PolarHBondContact O-N 2.91Å; K313-L317 PolarHBondContact O-N 2.77Å
314S50.3Low57.4Low68 Ų68106.8 Ų106.848%0.47653%0.531SS..Hα-helixtrans-63.9-46.9172.5-173.60000111.7L310 E311 K312 D316 L317 N318L310-S314 WeakPolarHBondContact O-CB 3.45Å; L310-S314 PolarHBondContact O-N 3.1Å; E311-S314 WeakPolarHBondContact O-CB 3.49Å; E311-S314 PolarHBondContact O-N 2.81Å; E311-S314 VanDerWaalsContact O-N 3.16Å; K312-S314 VanDerWaalsContact C-N 3.27Å; K312-S314 PolarHBondContact O-N 3.41Å; S314-D316 PolarHBondContact O-N 3.3Å; S314-L317 PolarHBondContact O-N 2.92Å; S314-N318 PolarHBondContact O-N 3.46Å; S314-N318 VanDerWaalsContact O-N 3.1Å; S314-N318 PolarHBondContact O-ND2 3.48Å
315T60.4Low57.6Low71 Ų71100.6 Ų100.644%0.43651%0.508SS..Hα-helixtrans-63.6-37.6178.162.30000113.1E311 K312 N318 R319E311-T315 WeakPolarHBondContact O-CG2 3.5Å; E311-T315 PolarHBondContact O-N 2.86Å; K312-T315 PolarHBondContact O-N 3.42Å; K312-T315 PolarHBondContact O-OG1 3.05Å; T315-N318 PolarHBondContact O-N 2.75Å; T315-R319 WeakPolarHBondContact O-CG 3.04Å; T315-R319 PolarHBondContact O-N 3.3Å
316D63.8Low58.1Low71 Ų71100.7 Ų100.738%0.3851%0.505SS..Hα-helixtrans-76.1-30.9179.5-72.5-29.9000113.3K312 S314 R319 K320K312-D316 PolarHBondContact O-N 2.8Å; S314-D316 PolarHBondContact O-N 3.3Å; D316-R319 PolarHBondContact O-N 3Å; D316-R319 VanDerWaalsContact OD1-CD 3.32Å; D316-R319 WeakPolarHBondContact OD1-CD 3.38Å; D316-R319 IonicContact OD1-CZ 3.73Å; D316-R319 IonicContact OD1-NE 3.95Å; D316-R319 IonicContact OD1-NH1 2.75Å; D316-R319 PolarHBondContact OD1-NH1 2.94Å; D316-K320 PolarHBondContact O-N 2.85Å
317L62.2Low58.7Low114 Ų114102.2 Ų102.260%0.59752%0.52SS*.Hα-helixtrans-62.9-45.5168.8-12885.1000110.9K313 S314 K320 Q321K313-L317 PolarHBondContact O-N 2.77Å; S314-L317 PolarHBondContact O-N 2.92Å; L317-K320 PolarHBondContact O-N 2.95Å; L317-Q321 PolarHBondContact O-N 2.84Å
318N54.5Low59.3Low94 Ų94103.8 Ų103.850%0.50352%0.522SS..Hα-helixtrans-63-40.1176.7-79.3-71.1000111.9S314 T315 Q321 K322S314-N318 PolarHBondContact O-N 3.46Å; S314-N318 VanDerWaalsContact O-N 3.1Å; S314-N318 PolarHBondContact O-ND2 3.48Å; T315-N318 PolarHBondContact O-N 2.75Å; N318-Q321 PolarHBondContact O-N 3.31Å; N318-K322 WeakPolarHBondContact O-CB 3.33Å; N318-K322 PolarHBondContact O-N 3.12Å
319R63.8Low59.7Low164 Ų164103 Ų10362%0.61952%0.522SS*.Hα-helixtrans-59.5-47.7172.4-77.7166.7169.6163.1-3.6111.9T315 D316 K322 S323T315-R319 WeakPolarHBondContact O-CG 3.04Å; T315-R319 PolarHBondContact O-N 3.3Å; D316-R319 PolarHBondContact O-N 3Å; D316-R319 VanDerWaalsContact OD1-CD 3.32Å; D316-R319 WeakPolarHBondContact OD1-CD 3.38Å; D316-R319 IonicContact OD1-CZ 3.73Å; D316-R319 IonicContact OD1-NE 3.95Å; D316-R319 IonicContact OD1-NH1 2.75Å; D316-R319 PolarHBondContact OD1-NH1 2.94Å; R319-K322 PolarHBondContact O-N 3.5Å; R319-K322 VanDerWaalsContact O-N 3.14Å; R319-S323 PolarHBondContact O-N 3.21Å
320K66.8Low60.1Low149 Ų149105.4 Ų105.465%0.64853%0.533SS*.Hα-helixtrans-64.8-38.6178.7-75.1-175.2176.2-175.50112.9D316 L317 K322 S323 L324D316-K320 PolarHBondContact O-N 2.85Å; L317-K320 PolarHBondContact O-N 2.95Å; K320-K322 VanDerWaalsContact C-N 3.32Å; K320-S323 PolarHBondContact O-OG 2.67Å; K320-S323 VanDerWaalsContact O-OG 3.05Å; K320-L324 WeakPolarHBondContact O-CB 3.4Å; K320-L324 WeakPolarHBondContact O-CG 3.48Å; K320-L324 PolarHBondContact O-N 3.2Å
321Q56.4Low60.3Low126 Ų126104.3 Ų104.359%0.58954%0.537SS*.Hα-helixtrans-64-38171.3-76.8-171.6-2000112.2L317 N318 S325L317-Q321 PolarHBondContact O-N 2.84Å; N318-Q321 PolarHBondContact O-N 3.31Å; Q321-S325 WeakPolarHBondContact O-CB 3.5Å; Q321-S325 PolarHBondContact O-N 3.46Å; Q321-S325 PolarHBondContact O-OG 3.05Å
322K63.3Low60.7Low145 Ų145102.2 Ų102.263%0.6353%0.529SS*.Hα-helixtrans-69.8-37.6178.8-157.9170.8-173.5179.20112.6N318 R319 K320 S325 Q326N318-K322 WeakPolarHBondContact O-CB 3.33Å; N318-K322 PolarHBondContact O-N 3.12Å; R319-K322 PolarHBondContact O-N 3.5Å; R319-K322 VanDerWaalsContact O-N 3.14Å; K320-K322 VanDerWaalsContact C-N 3.32Å; K322-S325 WeakPolarHBondContact CA-OG 3.32Å; K322-S325 PolarHBondContact O-OG 3.33Å; K322-S325 VanDerWaalsContact O-OG 3.13Å; K322-Q326 WeakPolarHBondContact O-CG 3.26Å; K322-Q326 PolarHBondContact O-N 2.9Å; K322-Q326 VanDerWaalsContact O-N 3.1Å; K322-Q326 PolarHBondContact O-OE1 3.3Å
323S65.2Low60.5Low57 Ų5799.6 Ų99.640%0.39953%0.527SS..Hα-helixtrans-69.1-44.5173.165.40000111.9R319 K320 S325 Q326 S327R319-S323 PolarHBondContact O-N 3.21Å; K320-S323 PolarHBondContact O-OG 2.67Å; K320-S323 VanDerWaalsContact O-OG 3.05Å; S323-S325 PolarHBondContact O-N 3.45Å; S323-Q326 PolarHBondContact O-N 2.96Å; S323-S327 PolarHBondContact O-N 2.9Å; S323-S327 PolarHBondContact O-OG 2.57Å
324L64.7Low60.4Low109 Ų10996.5 Ų96.557%0.57152%0.52SS*.Hα-helixtrans-59-42.9176.8-84.7161.5000112.7K320 S327 L328K320-L324 WeakPolarHBondContact O-CB 3.4Å; K320-L324 WeakPolarHBondContact O-CG 3.48Å; K320-L324 PolarHBondContact O-N 3.2Å; L324-S327 PolarHBondContact O-N 2.92Å; L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 2.75Å
325S57.1Low60.5Low54 Ų5496.1 Ų96.138%0.37852%0.518SS..Hα-helixtrans-69.5-32.6176.247.60000113Q321 K322 S323 N329Q321-S325 WeakPolarHBondContact O-CB 3.5Å; Q321-S325 PolarHBondContact O-N 3.46Å; Q321-S325 PolarHBondContact O-OG 3.05Å; K322-S325 WeakPolarHBondContact CA-OG 3.32Å; K322-S325 PolarHBondContact O-OG 3.33Å; K322-S325 VanDerWaalsContact O-OG 3.13Å; S323-S325 PolarHBondContact O-N 3.45Å; S325-N329 WeakPolarHBondContact O-CB 3.39Å; S325-N329 PolarHBondContact O-N 2.68Å; S325-N329 PolarHBondContact O-ND2 2.89Å
326Q61.1Low60.1Low116 Ų11698.1 Ų98.154%0.54252%0.522SS..Hα-helixtrans-65.2-47.1169.1-75.3177-53.200111.9K322 S323 L328 N329 L330K322-Q326 WeakPolarHBondContact O-CG 3.26Å; K322-Q326 PolarHBondContact O-N 2.9Å; K322-Q326 VanDerWaalsContact O-N 3.1Å; K322-Q326 PolarHBondContact O-OE1 3.3Å; S323-Q326 PolarHBondContact O-N 2.96Å; Q326-L328 VanDerWaalsContact C-N 3.35Å; Q326-L328 PolarHBondContact O-N 2.96Å; Q326-N329 PolarHBondContact O-N 3.46Å; Q326-L330 WeakPolarHBondContact O-CD1 3.3Å; Q326-L330 PolarHBondContact O-N 3Å
327S67.4Low59.7Low83 Ų83102.2 Ų102.258%0.5854%0.537SS*.Hα-helixtrans-58.5-43.3176.9-59.90000112.6S323 L324 L330 G331S323-S327 PolarHBondContact O-N 2.9Å; S323-S327 PolarHBondContact O-OG 2.57Å; L324-S327 PolarHBondContact O-N 2.92Å; S327-L330 PolarHBondContact O-N 3.15Å; S327-G331 PolarHBondContact O-N 3.19Å
328L59.8Low59.4Low114 Ų114101.4 Ų101.460%0.59753%0.532SS*.Hα-helixtrans-63.6-43.4176-75.3165.7000112.1L324 Q326 L330 G331 I332L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 2.75Å; Q326-L328 VanDerWaalsContact C-N 3.35Å; Q326-L328 PolarHBondContact O-N 2.96Å; L328-L330 PolarHBondContact O-N 3.44Å; L328-G331 PolarHBondContact O-N 3.1Å; L328-I332 WeakPolarHBondContact O-CG1 3.34Å; L328-I332 PolarHBondContact O-N 3.04Å
329N59Low59.4Low107 Ų107103.5 Ų103.557%0.57254%0.537SS*.Hα-helixtrans-65.5-37.6178.2-72.8-13.5000112.5S325 Q326 A333S325-N329 WeakPolarHBondContact O-CB 3.39Å; S325-N329 PolarHBondContact O-N 2.68Å; S325-N329 PolarHBondContact O-ND2 2.89Å; Q326-N329 PolarHBondContact O-N 3.46Å; N329-A333 WeakPolarHBondContact O-CB 3.41Å; N329-A333 PolarHBondContact O-N 3.28Å
330L62.9Low58.8Low121 Ų121101.7 Ų101.763%0.63454%0.535SS*.Hα-helixtrans-62.9-44.2171.4-90.595.9000111.6Q326 S327 L328 I332 A333 T334Q326-L330 WeakPolarHBondContact O-CD1 3.3Å; Q326-L330 PolarHBondContact O-N 3Å; S327-L330 PolarHBondContact O-N 3.15Å; L328-L330 PolarHBondContact O-N 3.44Å; L330-I332 VanDerWaalsContact C-N 3.35Å; L330-I332 PolarHBondContact O-N 2.89Å; L330-A333 PolarHBondContact O-N 3.41Å; L330-T334 PolarHBondContact O-N 2.96Å; L330-T334 PolarHBondContact O-OG1 3.05Å; L330-T334 VanDerWaalsContact O-OG1 3.08Å
331G60.7Low58Low37 Ų3798.2 Ų98.238%0.38153%0.53SS..Hα-helixtrans-60.8-40.2177.900000113.5S327 L328 T334 S335S327-G331 PolarHBondContact O-N 3.19Å; L328-G331 PolarHBondContact O-N 3.1Å; G331-T334 WeakPolarHBondContact CA-OG1 3.36Å; G331-T334 PolarHBondContact O-OG1 3.23Å; G331-S335 WeakPolarHBondContact O-CB 3.42Å; G331-S335 PolarHBondContact O-N 3.01Å
332I59.2Low57.7Low94 Ų9498.2 Ų98.248%0.48253%0.53SS..Hα-helixtrans-65-47.6174.7-66.9164.8000110.4L328 L330 T334 S335 Q336L328-I332 WeakPolarHBondContact O-CG1 3.34Å; L328-I332 PolarHBondContact O-N 3.04Å; L330-I332 VanDerWaalsContact C-N 3.35Å; L330-I332 PolarHBondContact O-N 2.89Å; I332-T334 PolarHBondContact O-N 2.88Å; I332-S335 PolarHBondContact O-N 3.23Å; I332-S335 VanDerWaalsContact O-N 3.16Å; I332-Q336 HydrophobicContact CG2-CG 4.5Å; I332-Q336 WeakPolarHBondContact O-CG 3.12Å; I332-Q336 PolarHBondContact O-N 3.05Å
333A52.2Low56.9Low50 Ų5097.2 Ų97.241%0.41353%0.53SS..Hα-helixtrans-62.9-38.2-179.900000113N329 L330 K337N329-A333 WeakPolarHBondContact O-CB 3.41Å; N329-A333 PolarHBondContact O-N 3.28Å; L330-A333 PolarHBondContact O-N 3.41Å; A333-K337 PolarHBondContact O-N 2.67Å; A333-K337 VanDerWaalsContact O-N 3.08Å
334T57.8Low55.8Low82 Ų8299.4 Ų99.450%0.50354%0.541SS..Hα-helixtrans-67-40.4172.946.80000112.1L330 G331 I332 Q336 K337 I338L330-T334 PolarHBondContact O-N 2.96Å; L330-T334 PolarHBondContact O-OG1 3.05Å; L330-T334 VanDerWaalsContact O-OG1 3.08Å; G331-T334 WeakPolarHBondContact CA-OG1 3.36Å; G331-T334 PolarHBondContact O-OG1 3.23Å; I332-T334 PolarHBondContact O-N 2.88Å; T334-Q336 VanDerWaalsContact C-N 3.33Å; T334-Q336 PolarHBondContact O-N 2.91Å; T334-K337 PolarHBondContact O-N 2.98Å; T334-I338 VanDerWaalsContact O-CG1 3.31Å; T334-I338 WeakPolarHBondContact O-CG1 3.27Å; T334-I338 PolarHBondContact O-N 2.75Å
335S51.7Low54.7Low61 Ų61102.3 Ų102.343%0.42755%0.552SS.*Hα-helixtrans-67.3-33.4178.2-163.90000112.4G331 I332 K339G331-S335 WeakPolarHBondContact O-CB 3.42Å; G331-S335 PolarHBondContact O-N 3.01Å; I332-S335 PolarHBondContact O-N 3.23Å; I332-S335 VanDerWaalsContact O-N 3.16Å; S335-K339 PolarHBondContact O-N 3.02Å
336Q53.3Low53.8Low113 Ų113108 Ų10853%0.52857%0.572SS.*Hα-helixtrans-66.9-49.6172.1-73.8177.5-56.100111.8I332 T334 I338 K339 E340I332-Q336 HydrophobicContact CG2-CG 4.5Å; I332-Q336 WeakPolarHBondContact O-CG 3.12Å; I332-Q336 PolarHBondContact O-N 3.05Å; T334-Q336 VanDerWaalsContact C-N 3.33Å; T334-Q336 PolarHBondContact O-N 2.91Å; Q336-I338 VanDerWaalsContact C-N 3.28Å; Q336-I338 PolarHBondContact O-N 3.13Å; Q336-K339 PolarHBondContact O-N 3.28Å; Q336-E340 PolarHBondContact O-N 3.18Å
337K54.7Low52.5Low157 Ų157108 Ų10868%0.68358%0.581SS**Hα-helixtrans-57.8-37.2176.6-86.5-165.8169.8-169.30113.5A333 T334 S341A333-K337 PolarHBondContact O-N 2.67Å; A333-K337 VanDerWaalsContact O-N 3.08Å; T334-K337 PolarHBondContact O-N 2.98Å; K337-S341 VanDerWaalsContact O-CB 3.28Å; K337-S341 WeakPolarHBondContact O-CB 3.17Å; K337-S341 PolarHBondContact O-N 3.14Å
338I56.8Low50.9Low96 Ų96109.9 Ų109.949%0.49259%0.588SS.*Hα-helixtrans-64.4-42.6176.2-69.1164.1000110.7T334 Q336 S341 Q342T334-I338 VanDerWaalsContact O-CG1 3.31Å; T334-I338 WeakPolarHBondContact O-CG1 3.27Å; T334-I338 PolarHBondContact O-N 2.75Å; Q336-I338 VanDerWaalsContact C-N 3.28Å; Q336-I338 PolarHBondContact O-N 3.13Å; I338-S341 PolarHBondContact O-N 3.01Å; I338-Q342 WeakPolarHBondContact O-CB 3.14Å; I338-Q342 VanDerWaalsContact O-CG 3.29Å; I338-Q342 WeakPolarHBondContact O-CG 3.46Å; I338-Q342 PolarHBondContact O-N 3.28Å
339K52.9Low49.7Very low138 Ų138112 Ų11260%0.660%0.599SS**Hα-helixtrans-67.2-39.9177.3-73.1-179.1176.7-176.50113S335 Q336 Q342 L343S335-K339 PolarHBondContact O-N 3.02Å; Q336-K339 PolarHBondContact O-N 3.28Å; K339-Q342 PolarHBondContact O-N 3.16Å; K339-L343 PolarHBondContact O-N 3.23Å; K339-L343 VanDerWaalsContact O-N 3.1Å
340E51.7Low48.3Very low127 Ų127114.7 Ų114.759%0.59361%0.611SS**Hα-helixtrans-64.9-44.4174.9-69.8172.7162.100111.1Q336 Q342 L343 V344Q336-E340 PolarHBondContact O-N 3.18Å; E340-Q342 VanDerWaalsContact C-N 3.26Å; E340-Q342 PolarHBondContact O-N 2.88Å; E340-L343 PolarHBondContact O-N 3.18Å; E340-V344 WeakPolarHBondContact O-CG2 3.47Å; E340-V344 PolarHBondContact O-N 3.5Å
341S50.5Low46.7Very low76 Ų76116.6 Ų116.653%0.53162%0.622SS.*Hα-helixtrans-64-28.3176-169.50000113.6K337 I338K337-S341 VanDerWaalsContact O-CB 3.28Å; K337-S341 WeakPolarHBondContact O-CB 3.17Å; K337-S341 PolarHBondContact O-N 3.14Å; I338-S341 PolarHBondContact O-N 3.01Å
342Q50.6Low45.5Very low125 Ų125120.1 Ų120.158%0.58464%0.641SS**Hα-helixtrans-79.7-33.4176.7-76.5174.2-18.600112.6I338 K339 E340I338-Q342 WeakPolarHBondContact O-CB 3.14Å; I338-Q342 VanDerWaalsContact O-CG 3.29Å; I338-Q342 WeakPolarHBondContact O-CG 3.46Å; I338-Q342 PolarHBondContact O-N 3.28Å; K339-Q342 PolarHBondContact O-N 3.16Å; E340-Q342 VanDerWaalsContact C-N 3.26Å; E340-Q342 PolarHBondContact O-N 2.88Å
343L44.7Very low44.4Very low124 Ų124120.6 Ų120.665%0.64965%0.652SS**Hα-helixtrans-65.8-41.6174.1-108.170.6000112.5K339 E340 H345 Q346 T347K339-L343 PolarHBondContact O-N 3.23Å; K339-L343 VanDerWaalsContact O-N 3.1Å; E340-L343 PolarHBondContact O-N 3.18Å; L343-H345 VanDerWaalsContact C-N 3.28Å; L343-H345 PolarHBondContact O-N 2.98Å; L343-Q346 PolarHBondContact O-N 3.41Å; L343-T347 PolarHBondContact O-OG1 3.41Å
344V43.5Very low43.6Very low104 Ų104125.5 Ų125.563%0.6367%0.672SS**Hα-helixtrans-63.3-33.6-177.9174.50000112.1E340 Q346E340-V344 WeakPolarHBondContact O-CG2 3.47Å; E340-V344 PolarHBondContact O-N 3.5Å; V344-Q346 VanDerWaalsContact C-N 3.25Å; V344-Q346 PolarHBondContact O-N 3.39Å
345H40.9Very low42.4Very low170 Ų170128.5 Ų128.579%0.78769%0.685SS**THydrogen-bonded Turntrans-75.4-6.7178.9-104.6-72.9000115.1L343L343-H345 VanDerWaalsContact C-N 3.28Å; L343-H345 PolarHBondContact O-N 2.98Å
346Q39.2Very low41.7Very low172 Ų172131.9 Ų131.980%0.80470%0.698SS**THydrogen-bonded Turntrans-10511.1-175.8-145.5167.918.200114L343 V344L343-Q346 PolarHBondContact O-N 3.41Å; V344-Q346 VanDerWaalsContact C-N 3.25Å; V344-Q346 PolarHBondContact O-N 3.39Å
347T33.8Very low40.8Very low118 Ų118133.7 Ų133.772%0.72471%0.707SS**SBendtrans-128.323.7-172.3-35.70000113.5L343L343-T347 PolarHBondContact O-OG1 3.41Å
348V33.9Very low39.6Very low121 Ų121133.9 Ų133.973%0.73371%0.712SS**SBendtrans-134.739.9-173.9-157.40000113.1
349I33.6Very low38.4Very low160 Ų160136.6 Ų136.682%0.82172%0.722SS**SBendtrans-141.7154.5162.5-52.7-179.6000106.6
350I30.7Very low37.4Very low163 Ų163136.7 Ų136.784%0.83673%0.734SS**  trans78.678.5-177.5-42.9167.4000113.5
351D28Very low36.4Very low160 Ų160134 Ų13486%0.85674%0.742SS**  trans-157.685138.7-145.8-6.1000110.2
352S35.2Very low35.5Very low111 Ų111135.6 Ų135.678%0.77675%0.753SS**  trans-164.7127.6176.8-75.80000112.9
353S37.8Very low34.4Very low104 Ų104138.6 Ų138.673%0.72776%0.764SS**  trans74.4106.8152.6-58.30000120.9
354N34.8Very low33.7Very low153 Ų153138.7 Ų138.782%0.81877%0.765SS**  trans91113132.6-57.7-2.8000120.3
355D31.7Very low33Very low146 Ų146141.2 Ų141.278%0.78177%0.774SS**  trans-59.9139.7151.5-53.1-86.9000111.9
356N37.1Very low32.5Very low132 Ų132138.1 Ų138.171%0.70677%0.771SS**  -179.1126.9105.7-97.1-72.4000113.3
357Q34.9Very low32Very low151 Ų151137.8 Ų137.871%0.70678%0.775SS**  trans39.5123.7140.4-56.7-179.744.500122
358M29.8Very low32Very low160 Ų160135.5 Ų135.579%0.78878%0.776SS**  trans64.9145.7133.3-65176.2170.900119.2
359E31.6Very low32.1Very low154 Ų154137.7 Ų137.772%0.7278%0.777SS**  cis-159.2150.92.3-134.1-175.2175.600112.3
360T31Very low32.2Very low139 Ų139136.5 Ų136.585%0.85377%0.773SS**  trans61.2173.9163.173.20000118.8
361G31.1Very low32.5Very low72 Ų72134.3 Ų134.374%0.74276%0.763SS**  trans143.38.316000000122.8
362S31.3Very low32.9Very low109 Ų109135.8 Ų135.876%0.76276%0.758SS**  trans12.1120.2162.6-66.10000123.1
363F26.8Very low32.8Very low187 Ų187136.4 Ų136.482%0.8275%0.752SS**  trans77.9139.2137.1-85-91.6000124.5
364N30.3Very low32.6Very low126 Ų126137.8 Ų137.867%0.67475%0.751SS**  trans75.3104.6148.3-71.6-23.4000123.7
365L29.3Very low32.6Very low158 Ų158137.1 Ų137.183%0.82774%0.743SS**  34.1119.8112.3-70161.3000119.7
366S30.2Very low32.8Very low104 Ų104137.1 Ų137.173%0.72774%0.736SS**  179.5144.210153.40000115.7
367N29.8Very low32.6Very low165 Ų165137.4 Ų137.488%0.88273%0.733SS**  trans51.4133.5142.4-59.5-3.4000124.6
368G32.1Very low32.7Very low71 Ų71136.5 Ų136.573%0.73274%0.737SS**  trans104.2153.3145.600000116.4
369H36Very low32.8Very low167 Ų167135.9 Ų135.977%0.77373%0.732SS**  cis-169.1172.2-25.9-140.7-94.5000107.1
370D37.2Very low32.9Very low134 Ų134134.2 Ų134.272%0.71773%0.728SS**  trans68.9158.9159.2-52.1-29.6000120.8
371D37.1Very low33Very low117 Ų117134.2 Ų134.263%0.62672%0.723SS**  cis-167.1166-43.1-156.3-6.4000110.7
372Y35.5Very low33.1Very low192 Ų192135.8 Ų135.875%0.75372%0.723SS**  trans63.6167.1169.5-62-87.7000121.9
373N33.2Very low33.2Very low124 Ų124135.7 Ų135.766%0.66372%0.722SS**  cis-178.7-179-49.8-153.8-29.6000109.7
374L34.3Very low33.6Very low133 Ų133134.8 Ų134.870%0.69672%0.721SS**  trans77148.9162.5-56.4170.3000118.5
375Q33.5Very low33.6Very low139 Ų139134.5 Ų134.565%0.6572%0.719SS**  cis-174154.7-33.4-123.3-177.324.200110.9
376K36.1Very low33.6Very low145 Ų145133.7 Ų133.763%0.6372%0.716SS**  trans65.8159.2149.9-68.2171.5162.3-78.60118.9
377E34.2Very low33.7Very low139 Ų139137.2 Ų137.265%0.6572%0.718SS**  cis-163.8162-16.7-114.6159.8178.400111.1
378V35.7Very low33.7Very low131 Ų131135.3 Ų135.379%0.79471%0.707SS**  trans66.5148.1151159.60000119.7
379E32.7Very low33.5Very low147 Ų147139.5 Ų139.569%0.68771%0.712SS**  cis-169.1161.6-36.4-149174.8-117.500110
380N33.1Very low33.2Very low119 Ų119137.8 Ų137.864%0.63672%0.719SS**  trans73.8137155.7-63.2-42.3000124.3
381N32.7Very low32.8Very low140 Ų140134.3 Ų134.375%0.74972%0.715SS**  trans80.692.4143.2-65.8-16.5000123.5
382S33.2Very low32.6Very low105 Ų105137.6 Ų137.673%0.73473%0.726SS**  92.2141112.670.80000122.6
383S34.3Very low32.3Very low107 Ų107134.6 Ų134.675%0.74872%0.723SS**  trans66.7102.6158.437.70000121.1
384E34.3Very low32Very low168 Ų168136.1 Ų136.179%0.78572%0.724SS**  81.8111.2125.8-65.1-143.5147.700122.9
385N30.7Very low31.9Very low119 Ų119136.9 Ų136.964%0.63673%0.734SS**  84.5119129.9-68.5-37.9000121.2
386N29.5Very low31.7Very low142 Ų142135.4 Ų135.476%0.75973%0.73SS**  trans6498.4154.2-59-47.8000116.7
387K32.1Very low31.4Very low178 Ų178134.5 Ų134.577%0.77473%0.731SS**  178.5166.479.7-103.6162.8-174.7175.80115.6
388D31.3Very low31.1Very low124 Ų124136.7 Ų136.766%0.66374%0.742SS**  trans54.2108144.4-53.8-24.6000122.3
389L27.7Very low30.9Very low160 Ų160134.1 Ų134.184%0.83874%0.742SS**  36.4110.1123.1-68.2154.5000119.9
390S27.9Very low30.6Very low130 Ų130132.3 Ų132.391%0.90975%0.745SS**  163.7169.9122.653.60000113.5
391G30.5Very low30.4Very low62 Ų62136.6 Ų136.664%0.63976%0.758SS**  trans90.1129.9176.200000114.3
392H32.2Very low30.2Very low185 Ų185133.6 Ų133.686%0.85676%0.76SS**  80.3136.751.5-74.4-39.9000113.3
393L29Very low30.1Very low130 Ų130133.3 Ų133.368%0.68176%0.764SS**  cis-162.4153.7-10.6-173.769.6000108.6
394F27.8Very low29.6Very low156 Ų156135 Ų13568%0.68477%0.77SS**  trans23.4127.2160.2-77.5-133.1000120D396F394-D396 WeakPolarHBondContact CD1-OD2 3.36Å
395T31.3Very low29.4Very low148 Ų148134.9 Ų134.991%0.90877%0.774SS**  -172.6168109.221.30000112.9
396D29.8Very low29.2Very low108 Ų108138.1 Ų138.158%0.57879%0.785SS**  -158.2179.1-96.2-130.1-59.8000114.6F394F394-D396 WeakPolarHBondContact CD1-OD2 3.36Å
397I30.4Very low29.2Very low126 Ų126139.8 Ų139.865%0.64679%0.793SS**  trans74.9120.9145.4-78.4166.5000121.7
398Q27.6Very low29Very low186 Ų186139.7 Ų139.787%0.86980%0.795SS**  trans66.8126.3151.7-72.4166.528.800121.9
399G30.1Very low29Very low77 Ų77140.9 Ų140.979%0.79480%0.802SS**  trans18096.2167.500000110.9
400S28.4Very low29.5Very low108 Ų108138.2 Ų138.276%0.75579%0.794SS**  trans-96.5137.1-165.1-73.60000115.4
401K28.8Very low29.6Very low209 Ų209139 Ų13991%0.90979%0.787SS**  trans55.9110.9153.2-60.6171-178.4173.90117.8
402G27.6Very low29.7Very low77 Ų77142.1 Ų142.179%0.79480%0.796SS**  trans-169.3134.5163.700000116
403A30.7Very low29.6Very low100 Ų100137.1 Ų137.183%0.82678%0.782SS**  trans44.9137.5152.200000122.6
404V24.9Very low29.7Very low143 Ų143139.3 Ų139.387%0.86779%0.793SS**  trans-84.6123.2157.2172.20000108.9
405L30.1Very low29.9Very low165 Ų165140.3 Ų140.386%0.86480%0.798SS**  trans-146.1155.5158.4-78.9-175.9000110.5
406Q24.8Very low30.2Very low187 Ų187139.3 Ų139.387%0.87479%0.793SS**  trans-92.7150.9173.7-59.4166.8-92.900110.4
407L30.6Very low30.3Very low176 Ų176139.5 Ų139.592%0.92180%0.799SS**  trans-168.8167.7141-103.6158.2000109.5
408E27.7Very low30.4Very low176 Ų176142 Ų14282%0.82281%0.812SS**  trans-111.6-174.2-162-59.8-175.5110.400114
409D30.5Very low30.5Very low150 Ų150139.3 Ų139.380%0.80280%0.804SS**  trans89.7150.1152-82.3-8.1000122.2
410P38.4Very low30.7Very low103 Ų103144 Ų14467%0.66981%0.806SS**  -143.2-146.4-12942-18.7000115.2
411L30.4Very low30.9Very low148 Ų148144.8 Ų144.878%0.77581%0.806SS**  trans76.9164.5172.8-71.3162.9000116
412P33.5Very low31.1Very low127 Ų127141.4 Ų141.483%0.82580%0.802SS**  cis-123.4-178.25.739-22.6000116.5
413S30Very low31.2Very low79 Ų79145.2 Ų145.255%0.55280%0.8SS**  trans-110.6163.2-176.758.10000113.9
414L29.8Very low31.2Very low176 Ų176147.2 Ų147.292%0.92180%0.796SS**  trans-129.9134.3163.9-71.1172.9000112
415F32.2Very low31.6Very low178 Ų178145 Ų14578%0.78179%0.793SS**  trans-108.4-175.6169.6-72.3-97.2000109.7
416P37.2Very low31.5Very low126 Ų126146.8 Ų146.882%0.81879%0.794SS**  -141.2173.387.431.8-12.5000116.4
417T32.5Very low31.8Very low113 Ų113146.1 Ų146.169%0.69380%0.795SS**  trans-79.6166.5-169.545.30000117.1
418L32.2Very low31.8Very low177 Ų177146 Ų14693%0.92779%0.79SS**  trans-137.6147.2136.5-101.8171.4000109.5
419N30.5Very low32Very low131 Ų131144.6 Ų144.670%0.70179%0.788SS**  trans-96.1-173-173.2-62.8-17.4000110
420E34.8Very low31.9Very low176 Ų176144.9 Ų144.982%0.82278%0.784SS**  cis-150.7168.427.5-66.6178.8131.500114.4
421T31.2Very low31.6Very low124 Ų124150.6 Ų150.676%0.76179%0.794SS**  trans-7.9155159.1590000119.9
422V33.9Very low31.5Very low137 Ų137149 Ų14983%0.8379%0.79SS**  cis-145.6160.245.5174.30000112.6
423E29.6Very low31.5Very low158 Ų158150 Ų15074%0.73879%0.789SS**  trans-84.6177.5-176.6-53.9179.5129.500116.6
424N30.9Very low31.5Very low141 Ų141152 Ų15275%0.75479%0.793SS**  trans105.7155.4139-75.6-48.5000121.7
425A32.7Very low31.7Very low97 Ų97153.2 Ų153.280%0.80279%0.791SS**  trans71.8108.117400000118.7
426K28.8Very low31.6Very low203 Ų203149.5 Ų149.588%0.88378%0.783SS**  trans-73.8143.9151.1-58170-178.7172.50108.8
427L31.3Very low31.4Very low173 Ų173151.2 Ų151.291%0.90678%0.78SS**  trans-162.9150.1144.1-111.6153.3000110.6
428H29Very low31.3Very low173 Ų173154.7 Ų154.780%0.80178%0.78SS**  trans-68.2144.5159.3-87.2-121000108.3
429D31.9Very low31.2Very low147 Ų147152.9 Ų152.979%0.78677%0.765SS**  -166.8175.6105.6-118-37.9000114.2
430H29.8Very low31.3Very low156 Ų156154.1 Ų154.172%0.72277%0.767SS**  trans-59.6142-179.6-75.8-101.5000114.5
431Y31.4Very low31.1Very low222 Ų222152 Ų15287%0.87176%0.761SS**  trans-142.8117.6141-122.2-80.2000111.3
432T29.1Very low31.1Very low115 Ų115152.9 Ų152.971%0.70676%0.76SS**  trans-117.8123169.547.20000108
433D32Very low31.3Very low148 Ų148153.5 Ų153.579%0.79176%0.757SS**  trans-156.6162.2160.6-140.6-25.2000113.3
434D31.5Very low31.5Very low121 Ų121151 Ų15165%0.64776%0.758SS**  trans-83.7150.7-151.2-89.3-29.5000118.4V436D434-V436 HydrophobicContact CB-CG2 4.37Å
435K32.9Very low31.5Very low201 Ų201151.4 Ų151.487%0.87476%0.759SS**  179.7103.4123.1-89.7140.6-160.9147.70110.2
436V30.5Very low31.7Very low100 Ų100155 Ų15561%0.60677%0.766SS**  65.1119.367.9-179.10000111D434D434-V436 HydrophobicContact CB-CG2 4.37Å
437H33.6Very low31.9Very low163 Ų163149.6 Ų149.676%0.75576%0.759SS**  -152.414952-126.6-53.7000116.6
438R29.5Very low32.1Very low185 Ų185149.5 Ų149.570%0.69876%0.757SS**  trans-31.1148.6170.9-58.5174.2177.8168.7-3.4119.9
439F30.4Very low32.4Very low139 Ų139145.8 Ų145.861%0.6175%0.751SS**  -166.4136.999-124.8-92.8000114.2H778F439-H778 AromaticContact CE2-CD2 3.78Å; F439-H778 AromaticContact CE2-CE1 3.35Å; F439-H778 WeakPolarHBondContact CE2-CE1 3.48Å; F439-H778 AromaticContact CE2-CG 3.76Å; F439-H778 AromaticContact CE2-ND1 3.49Å; F439-H778 WeakPolarHBondContact CE2-ND1 3.15Å; F439-H778 AromaticContact CE2-NE2 3.55Å; F439-H778 HydrophobicContact CZ-CB 3.97Å; F439-H778 AromaticContact CZ-CD2 3.57Å; F439-H778 AromaticContact CZ-CE1 3.89Å; F439-H778 AromaticContact CZ-CG 3.47Å; F439-H778 VanDerWaalsContact CZ-CG 3.47Å; F439-H778 AromaticContact CZ-ND1 3.67Å; F439-H778 AromaticContact CZ-NE2 3.87Å
440E31.8Very low32.5Very low158 Ų158148.6 Ų148.674%0.73876%0.756SS**  trans-156.3162-179.8-149.7-175.8-125.500113.2
441N31.5Very low32.9Very low130 Ų130146.4 Ų146.470%0.69575%0.754SS**  trans68.4124.5161.6-62.3-42.1000122.2
442L32.1Very low33Very low144 Ų144142.4 Ų142.475%0.75475%0.747SS**  trans-156.7131.3135.9-89.5-172.5000110.7
443I36.4Very low33.4Very low149 Ų149145.2 Ų145.276%0.76476%0.755SS**  trans68.8129.5146.7-61.9167.5000117.1
444S34.6Very low33.5Very low107 Ų107145.7 Ų145.775%0.74876%0.757SS**  cis-148.1171.53.9-139.40000113.3
445N31.2Very low33.8Very low148 Ų148146.5 Ų146.579%0.79177%0.767SS**  trans-81.8155.5-176.9-47.8-69.4000114
446D36.8Very low33.7Very low174 Ų174144.1 Ų144.193%0.9376%0.763SS**  trans-147.7152.1130.1-111.6-33.1000108.5
447A33.5Very low33.9Very low89 Ų89145.6 Ų145.674%0.73678%0.777SS**  trans-126.9154.4-167.100000113.4
448I35Very low33.9Very low171 Ų171144.1 Ų144.188%0.87778%0.779SS**  trans-163.4158149.2-104.2149.9000110.9
449S35.2Very low34Very low95 Ų95139.9 Ų139.966%0.66478%0.784SS**  trans-47.7151.8-165.249.70000119.8
450K33.5Very low34.4Very low205 Ų205140.8 Ų140.889%0.89180%0.795SS**  trans-70.6133.3158.5-69.7-177.6175.3-175.40111.6
451T37.8Very low34.5Very low111 Ų111141.4 Ų141.468%0.68180%0.796SS**  trans-163.1142.615550.70000107.6
452D33.4Very low34.7Very low138 Ų138141.5 Ų141.574%0.73880%0.796SS**  cis-165.6-175.1-17.3-88.8-37.2000107.5
453M39.3Very low34.8Very low174 Ų174142 Ų14286%0.85779%0.794SS**  trans74.296.5165.6-59.3-67.3-170.700119.1
454D33.1Very low34.6Very low157 Ų157141.4 Ų141.484%0.8479%0.792SS**  trans-79.9148.4144.5-59.5-70.9000110.2
455T38.4Very low34.4Very low139 Ų139143.4 Ų143.485%0.85379%0.793SS**  trans-171.2144.21445.20000112.4
456D30.9Very low34.4Very low150 Ų150141.5 Ų141.580%0.80279%0.787SS**  trans-75.6165.7175.2-59.9-82.7000113.5
457C34.2Very low34.2Very low132 Ų132140.3 Ų140.389%0.89278%0.781SS**  -177.6153.1106-102.10000113.6
458T32.6Very low34.1Very low131 Ų131140.2 Ų140.280%0.80478%0.775SS**  trans-98.8147176.849.90000112.5
459A32.9Very low34Very low97 Ų97142.7 Ų142.780%0.80278%0.78SS**  trans42.2132146.500000121.4
460D38.6Very low33.9Very low157 Ų157145 Ų14584%0.8478%0.78SS**  -154.8179.2119.4-140.1-29000112.9
461K33.6Very low33.9Very low172 Ų172144.3 Ų144.375%0.74877%0.773SS**  trans-112.7175.2178.2-69.2178.2175.9174.50112
462N35.1Very low33.8Very low131 Ų131144.7 Ų144.770%0.70178%0.778SS**  trans76.1156.6162.1-47.2-42.6000116
463Q33.9Very low33.7Very low154 Ų154147.7 Ų147.772%0.7278%0.784SS**  cis-162.7151.1-31.4-112.2-179.52.900108.9
464L32.5Very low33.3Very low137 Ų137145.7 Ų145.772%0.71779%0.787SS**  trans65.2145.1144.8-72.9171.3000122.7
465L31.5Very low33.2Very low149 Ų149142 Ų14278%0.7879%0.787SS**  trans65.8148.5155.9-63.9164.2000118.1
466T30.3Very low32.7Very low108 Ų108140 Ų14066%0.66378%0.784SS**  cis-161.2147.1-34.380000107.5
467D33.7Very low32.7Very low149 Ų149140.5 Ų140.580%0.79779%0.786SS**  trans162.1157.1136.7-90.4-24.9000111.3
468S30.5Very low32.5Very low87 Ų87140.7 Ų140.761%0.60878%0.783SS**  cis155.385.6-19.9-85.90000105.4
469F33.5Very low32.2Very low223 Ų223139 Ų13998%0.97878%0.776SS**  trans-155.5149.1160-103.8-68.9000110.9
470Q31.8Very low32.2Very low145 Ų145143.9 Ų143.968%0.67878%0.779SS**  trans-153.5167.6-152.6-164.9179.36.800112.6
471Y35.3Very low31.7Very low189 Ų189147 Ų14774%0.74178%0.78SS**  trans79.6158.8167.1-61.8-77.4000118.9
472P35.5Very low31.7Very low120 Ų120147.2 Ų147.278%0.77978%0.78SS**  cis-122.3177.4-16.519.73.3000114.1
473K30.3Very low31.5Very low200 Ų200147.3 Ų147.387%0.8778%0.781SS**  trans-118170.6170.2-78-176179.1177.10111.2
474S30.4Very low31.3Very low132 Ų132145.2 Ų145.292%0.92378%0.783SS**  trans90.3151.9159.182.20000118
475G32.1Very low31.2Very low81 Ų81142.3 Ų142.384%0.83579%0.786SS**  trans137.5114.2-168.400000109.7
476A27Very low31Very low95 Ų95147.3 Ų147.379%0.78580%0.795SS**  trans-136.9-179.5-171.600000112
477L30.6Very low31.1Very low162 Ų162153.7 Ų153.785%0.84881%0.807SS**  trans92.4126162.9-63.8166.6000120.2
478V30Very low30.9Very low136 Ų136158.2 Ų158.282%0.82481%0.813SS**  trans84.6133.6138.7174.20000120.5
479S26.9Very low30.9Very low95 Ų95165.3 Ų165.366%0.66483%0.826SS**  trans-82.4158.4-167.555.90000116.6
480K32.7Very low30.8Very low200 Ų200159.5 Ų159.587%0.8781%0.811SS**  -167.5119.5118.1-92.5144.7-174.2175.50107.9
481R29.2Very low30.7Very low223 Ų223159 Ų15984%0.84282%0.817SS**  87.712158.6-156.1-171.6-164.6-177.96.7112.6
482K32.6Very low30.6Very low176 Ų176157 Ų15777%0.76582%0.818SS**  trans99.4121163.4-65.3-162.1175.9-177.90120.9
483N30.4Very low30.2Very low132 Ų132159.7 Ų159.771%0.70682%0.821SS**  84.196.3127.2-70.433.2000122.6
484S30.1Very low30.4Very low111 Ų111156.4 Ų156.478%0.77682%0.818SS**  50.4106.5117.665.70000120
485G31.5Very low30.3Very low76 Ų76157.3 Ų157.378%0.78481%0.812SS**  trans-148113.3158.400000111.2R487G485-R487 PolarHBondContact O-N 3.1Å
486R27Very low30.1Very low254 Ų254158.7 Ų158.796%0.95881%0.809SS**  trans-62.9133.1171.2-77177.6170.5174.5-3.8109.4
487R32.7Very low30.2Very low242 Ų242161.4 Ų161.491%0.91381%0.809SS**  trans-129.8131.4150.8-71.9-165.2175.3-159.1-1.3109.6G485G485-R487 PolarHBondContact O-N 3.1Å
488R28.3Very low30.3Very low243 Ų243163.2 Ų163.292%0.91781%0.811SS**PPolyproline II helixtrans-69.9143.7172.1-71171.1166.4161.5-8.4108.6
489W31.9Very low30.3Very low237 Ų237163.3 Ų163.390%0.89881%0.807SS**PPolyproline II helixtrans-99.6144.2144.9-71.794.2000107.4
490P31.8Very low30.5Very low100 Ų100165 Ų16565%0.64981%0.808SS**PPolyproline II helixtrans-71.6150.5-175.129.9-34.6000111.4
491V28.9Very low30.4Very low134 Ų134164.7 Ų164.781%0.81281%0.807SS**PPolyproline II helixtrans-69.9133.5157.7176.70000107
492L32.2Very low30.6Very low147 Ų147161 Ų16177%0.7781%0.805SS**  trans-113118.9163.5-82.3169.2000107.7
493E27.6Very low30.7Very low178 Ų178157.5 Ų157.583%0.83280%0.802SS**  trans-74.5136.9166.1-66161.914900108
494T34.1Very low30.9Very low131 Ų131158.5 Ų158.580%0.80481%0.807SS**  trans-134.972.3174.660.80000109.9
495D28.5Very low31Very low150 Ų150162.4 Ų162.480%0.80281%0.813SS**  trans-70155.1159.2-88.2-46.1000110.7
496S28.5Very low31.2Very low110 Ų110164.2 Ų164.277%0.76981%0.814SS**  trans44.488.4163.160.70000117.9
497L29.5Very low31.4Very low152 Ų152159.6 Ų159.680%0.79681%0.808SS**  trans-161102.6151.5-116165.3000111.9
498F31.5Very low31.6Very low201 Ų201156.3 Ų156.388%0.88281%0.808SS**  174.793.6126.4-100.3-66.7000110.2
499D31.3Very low32Very low138 Ų138154.1 Ų154.174%0.73881%0.805SS**  trans-94.4149.6175.8-113-46.5000111.6
500N29.9Very low32.5Very low129 Ų129148.3 Ų148.369%0.6980%0.798SS**  trans35.2113.3153-52.8-56000121.2
501F31.5Very low32.8Very low194 Ų194149.4 Ų149.485%0.85181%0.805SS**  trans-164.9148.4132.5-96.3-77.5000106.2
502D33.1Very low33Very low147 Ų147149 Ų14979%0.78681%0.808SS**  cis-112.9149.411.5-60.9-57.5000114.5
503S35.2Very low33.4Very low101 Ų101151.8 Ų151.871%0.70681%0.814SS**  trans-132.5109.9161.647.50000110.2Q505S503-Q505 PolarHBondContact O-N 3.06Å
504D34.4Very low33.6Very low154 Ų154153.1 Ų153.182%0.82482%0.817SS**  trans-64.696.7-180-69.9-51.3000112.1
505Q32.4Very low33.6Very low192 Ų192155.8 Ų155.890%0.89782%0.823SS**  trans-136.299.7156.7-73.7-163.70.700110.4S503S503-Q505 PolarHBondContact O-N 3.06Å
506S35.9Very low33.8Very low115 Ų115155.2 Ų155.280%0.80483%0.825SS**  trans-94.5137.6166.656.90000110.6
507D30.7Very low33.9Very low156 Ų156154.7 Ų154.783%0.83483%0.827SS**  trans-60.1133.9-169.9-59.3-96.6000116.1
508L36.9Very low34.1Very low173 Ų173154 Ų15491%0.90683%0.829SS**  trans-137.2117.9151-76.8179.7000110.4
509K35.5Very low34.1Very low197 Ų197152 Ų15286%0.85782%0.82SS**PPolyproline II helixtrans-67.8137.9179.1-68175.6177.5173.70111.9
510P42.3Very low34.3Very low116 Ų116150.5 Ų150.575%0.75381%0.812SS**PPolyproline II helixtrans-73143.3157.831.8-32.7000110.4
511P40.1Very low34.4Very low123 Ų123150.9 Ų150.980%0.79981%0.814SS**PPolyproline II helixtrans-81.1129.6179.531.3-33.7000112.1K513P511-K513 PolarHBondContact O-N 3.36Å
512S31.7Very low34.5Very low124 Ų124148.4 Ų148.487%0.86781%0.805SS**  trans-81.5102.2174.644.20000111.9
513K40.5Very low34.6Very low207 Ų207147.5 Ų147.590%0.980%0.801SS**  trans-88.1114164.1-81.3-169.6173.4-175.90110.3P511P511-K513 PolarHBondContact O-N 3.36Å
514K31.5Very low34.6Very low205 Ų205150 Ų15089%0.89180%0.801SS**  trans-67.2135.4161.8-63.8177.9178.5179.90108.9
515M33.9Very low34.4Very low187 Ų187148.7 Ų148.792%0.92179%0.794SS**  trans-137.9153.6142.9-97.8-179.176.400109.3
516T34.5Very low34.4Very low138 Ų138145.5 Ų145.585%0.84779%0.793SS**  trans-73.8155.6-160.338.60000114.5
517A29Very low34.1Very low99 Ų99146.3 Ų146.382%0.81879%0.793SS**  trans-94.4140.7178.600000112.7
518T35.2Very low33.9Very low138 Ų138144.8 Ų144.885%0.84779%0.794SS**  trans-157.1147143.141.40000106.8
519K30.7Very low33.4Very low159 Ų159147.6 Ų147.669%0.69179%0.792SS**  cis171155.7-24.4-147.1-178.3154.3-82.10103
520D34.6Very low33.1Very low106 Ų106147 Ų14757%0.56780%0.795SS**  trans70.8125.5158.2-53.5-30.6000119.6
521N33.4Very low32.3Very low137 Ų137150.9 Ų150.973%0.73380%0.796SS**  trans72.5143.5142.3-63.99.4000120
522Q32.3Very low31.6Very low142 Ų142153.5 Ų153.566%0.66480%0.795SS**  cis-163.9178.7-24.1-135.8172.9-6700108.8
523D36.2Very low31.3Very low129 Ų129157.7 Ų157.769%0.6979%0.792SS**  trans67.3151.6159.5-52.8-14.4000118
524E34.7Very low30.7Very low154 Ų154156.5 Ų156.572%0.7279%0.786SS**  cis-156.5178.2-20.2-115-86.1149.900109.5
525N30.4Very low30.7Very low126 Ų126155 Ų15567%0.67479%0.788SS**  trans-57.6143.5-171.4-67.3-79.6000116.6
526S32.7Very low30.4Very low125 Ų125150.3 Ų150.387%0.87478%0.779SS**  -159121.4128.340.20000113.1
527T28.7Very low30.4Very low131 Ų131149.8 Ų149.880%0.80478%0.776SS**  trans-98.2137.9174.9-71.60000109.8
528C27.6Very low30.7Very low125 Ų125152.7 Ų152.785%0.84578%0.777SS**  trans-166.4141.2136.7-117.30000115.1
529R26.4Very low30.6Very low231 Ų231153.3 Ų153.387%0.87278%0.775SS**  trans-84.5147.6158.5-60.5170177.2157.9-2.9108.2
530M29.7Very low30.7Very low185 Ų185151.2 Ų151.291%0.91177%0.771SS**  trans-148.2155.4158.7-106.5-59.9-168.300111.6
531Y24.5Very low30.7Very low198 Ų198154.6 Ų154.678%0.77678%0.781SS**  trans-118.6160-178.5-99.3-100.1000110.8
532F25.3Very low30.7Very low177 Ų177155.2 Ų155.278%0.77678%0.783SS**  trans71.5131.8151.3-86.9-60.5000122.6
533R25.6Very low30.7Very low213 Ų213154 Ų15480%0.80479%0.79SS**  trans74.6121.2140.6-91.9179.5176.9177.10.5121.1
534K27.7Very low30.5Very low182 Ų182155.2 Ų155.279%0.79180%0.795SS**  trans50.9126.7136.3-76.8-169.2169.2-165.50119.1
535N31Very low30.4Very low173 Ų173153.4 Ų153.493%0.92580%0.8SS**  -136.3155.1119.9-100.5-28.1000109.8
536A28.6Very low30.4Very low89 Ų89153.8 Ų153.874%0.73681%0.807SS**  trans-163.5115.717800000111.3
537T34.4Very low30.4Very low126 Ų126156.1 Ų156.177%0.77380%0.802SS**  trans-161.4118.2157.935.80000107.8
538D35.5Very low30.5Very low160 Ų160157.6 Ų157.686%0.85680%0.797SS**  -162.6157.1113.9-97.1-23.5000110.1
539L32.5Very low30.5Very low151 Ų151159.1 Ų159.179%0.79180%0.796SS**  trans-107.2173.6-171.8-59.3119.3000109.8
540D32.3Very low30.6Very low116 Ų116154 Ų15462%0.6279%0.79SS**  cis-161.1177.116.9-153.3-13.2000112
541K34.7Very low30.6Very low177 Ų177153.6 Ų153.677%0.7778%0.783SS**  trans78103.2168.1-58162.7-172.7173.40115.5
542I33.2Very low30.7Very low149 Ų149150.7 Ų150.776%0.76478%0.777SS**  75.8125.558.9-59.5168.2000110.3
543S33.6Very low31Very low116 Ų116151.4 Ų151.481%0.81178%0.78SS**  cis-135.4174.945.1-159.10000117.6
544L30.8Very low31.4Very low155 Ų155147 Ų14781%0.81278%0.779SS**  trans-139.7158.3-165.1-96.3161.6000111.7
545S32.9Very low32Very low116 Ų116143.6 Ų143.681%0.81178%0.776SS**  trans-171.2114.7133.734.90000113.7
546T31.6Very low31.8Very low135 Ų135143.2 Ų143.283%0.82877%0.772SS**  trans-160.7116.1157.9-55.60000109
547F31.8Very low31.9Very low173 Ų173146.4 Ų146.476%0.75978%0.776SS**  trans-145.2133168.2-112-108.2000107.4
548K30.3Very low31.8Very low163 Ų163148.3 Ų148.371%0.70978%0.781SS**  cis90.3114.634.6-168-164.8-159.4-178.20112.5
549L29.2Very low31.5Very low157 Ų157144.2 Ų144.282%0.82278%0.777SS**  trans-178.2171.2130.6-99.6162.2000113.1
550T27.9Very low31.5Very low122 Ų122142.8 Ų142.875%0.74878%0.778SS**  trans-136.9148.7-171.7490000111.5
551K30Very low31.5Very low177 Ų177143.5 Ų143.577%0.7778%0.782SS**  trans169.7138.7131.1-95.7174.7165-135.20115.9
552Q26.7Very low31.4Very low137 Ų137143.3 Ų143.364%0.6479%0.788SS**  trans52.7112.9138-59.7175.3-101.800122.6
553F30.9Very low31.4Very low192 Ų192141.1 Ų141.184%0.84278%0.782SS**  43.1158.4120.1-64.4-66.3000122.3
554P33.7Very low31.5Very low121 Ų121143.2 Ų143.279%0.78678%0.777SS**  cis-131.1-1761937.1-15.7000116.4
555P40.9Very low31.5Very low110 Ų110143 Ų14371%0.71477%0.772SS**  trans-115.6-179-17242.9-33.7000115.2
556I26.5Very low31.5Very low165 Ų165143.8 Ų143.885%0.84677%0.771SS**  trans-155.6160.1151.6-107.9154.8000111.6
557L30.4Very low31.4Very low157 Ų157146.6 Ų146.682%0.82277%0.772SS**  trans-112.2160.3-170.8-76156.9000113.6
558N31.7Very low31.5Very low166 Ų166145.8 Ų145.889%0.88877%0.77SS**  trans-176.8142133-85.5-29000107
559G30.5Very low31.5Very low74 Ų74148.2 Ų148.276%0.76378%0.775SS**  113.2137.551.400000106.5
560C32.6Very low31.5Very low121 Ų121152.6 Ų152.682%0.81878%0.783SS**  cis-134.6154.16.8-92.70000108.7
561N32Very low31.7Very low131 Ų131149.9 Ų149.970%0.70178%0.779SS**  cis84.5110.744.6-17427.3000114.5
562L32.3Very low32Very low172 Ų172147.5 Ų147.590%0.90178%0.784SS**  trans-159.2149.4152.3-109.9164000110.4
563T33Very low32.1Very low104 Ų104152.6 Ų152.664%0.63880%0.798SS**  trans-118.4-172.8-161.850.80000111.2
564K35.4Very low32.1Very low159 Ų159150.9 Ų150.969%0.69180%0.797SS**  cis-172.7142.826.9-148.4159.3-174.7-82.30113.3
565E31.9Very low32.2Very low152 Ų152150.4 Ų150.471%0.7179%0.791SS**  trans51.9166.7144.3-68.4-17712600121.9
566V33.4Very low31.9Very low132 Ų132151.2 Ų151.280%0.879%0.79SS**  cis-136.8154.919.8177.50000112.5
567K28.8Very low32.5Very low193 Ų193151.8 Ų151.884%0.83979%0.789SS**  trans-107.1159.2169.4-60.8173.7178.2173.90111.9
568Q32.5Very low32.8Very low156 Ų156149.2 Ų149.273%0.72978%0.781SS**  trans-160.3154.3136.4-123.7-18057.600117.2
569R30.8Very low33Very low214 Ų214148.4 Ų148.481%0.80878%0.777SS**  trans77.1109.2158.3-64.9171.4-158.8-163.33.3120.6
570Y30.2Very low33.3Very low250 Ų250151.3 Ų151.398%0.9878%0.775SS**  trans-143.1150.5144.7-111.4-82000107.9
571G31.5Very low33.5Very low65 Ų65151.6 Ų151.667%0.6777%0.768SS**  trans138.1146-176.900000110.8
572S36Very low33.5Very low127 Ų127152 Ų15289%0.88877%0.769SS**  cis-149.4-178.27.7-72.20000111.9
573R30Very low33.5Very low243 Ų243151.3 Ų151.392%0.91777%0.766SS**  trans-82.6163.9-176-57.3173.9175.9175.8-4.1114.6
574L31.1Very low33.3Very low157 Ų157150.9 Ų150.982%0.82277%0.767SS**  trans-170.1150.7140.8-95.8160.1000105.7
575T34.8Very low33.2Very low110 Ų110150.2 Ų150.268%0.67578%0.776SS**  cis-147152.624.449.40000112.8
576D35.7Very low33Very low128 Ų128150.3 Ų150.368%0.68478%0.777SS**  29.3148.9126.9-41.5-35.1000121.6
577H37.6Very low32.9Very low177 Ų177150.9 Ų150.982%0.81977%0.768SS**  cis-156.9162.51.5-142.9-103.3000109
578P36.3Very low32.9Very low103 Ų103151 Ų15167%0.66976%0.764SS**  trans-113.9164.8-172.940-31.4000115.7
579D37.6Very low32.7Very low149 Ų149150.3 Ų150.380%0.79777%0.765SS**  trans-161.7162.1141.7-124.9-40.3000115.5
580N36.7Very low32.5Very low135 Ų135145.1 Ų145.172%0.72276%0.761SS**  trans-58.5170.8-171.4-65.8-78.4000116.8
581N35.7Very low32.3Very low126 Ų126140.5 Ų140.567%0.67475%0.753SS**  cis-170.4155.326.2-136.6-12.4000113.5
582I31.6Very low32.2Very low140 Ų140143.9 Ų143.972%0.71876%0.755SS**  trans53.9139.9144.6-71.6163.6000120.1
583L33.2Very low31.7Very low158 Ų158144.2 Ų144.283%0.82775%0.746SS**  cis-138.3171.910.6-164.260.5000111.3
584S28.1Very low31.6Very low95 Ų95138.9 Ų138.966%0.66474%0.735SS**  trans-91.1150.2-172.757.50000116.6
585T32.9Very low31.5Very low145 Ų145133.9 Ų133.989%0.8971%0.708SS**  -159.1163.1122.26.10000113.1
586Q29.5Very low31.2Very low153 Ų153133.4 Ų133.472%0.71570%0.701SS**  trans-84.7160.4-165.3-62.7177.534.900112.3
587K30.3Very low30.9Very low144 Ų144131.4 Ų131.463%0.62669%0.689SS**  cis-168.31456.3-126.2165.1-170.6153.60111.4
588R28.3Very low30.7Very low196 Ų196127.3 Ų127.374%0.7467%0.673SS**  trans67.1118.6151.5-71.5161.6-177.9176.6-2.1119
589D28.8Very low30.4Very low142 Ų142126.9 Ų126.976%0.75967%0.672SS**  70.811365.6-51.6-31.4000111
590S25.9Very low30.1Very low104 Ų104124.8 Ų124.873%0.72767%0.665SS**  cis85110.222.7-153.20000117
591L27.6Very low29.7Very low153 Ų153124.2 Ų124.280%0.80167%0.666SS**  trans58.5124.3148.1-68.7173.3000123.4
592D28.3Very low29.4Very low136 Ų136126.9 Ų126.973%0.72767%0.672SS**  96.1150.5126.2-112.7-25.7000126
593I26.4Very low29.3Very low135 Ų135126.4 Ų126.469%0.69268%0.675SS**  trans76.3140.1153.9-67.4158.6000121.3
594D27.3Very low29Very low130 Ų130130.5 Ų130.570%0.69568%0.68SS**  trans-35.7165.5171.7-48.4-67.6000116.8
595E29.2Very low29Very low53 Ų53131.2 Ų131.225%0.24868%0.682CS.*  cis-176.615540.2-158.4171.9163.700109.2N642 N643 K644E595-N642 HydrophobicContact CG-CB 3.74Å; E595-N642 WeakPolarHBondContact OE1-CB 3.31Å; E595-N643 PolarHBondContact OE1-N 3.1Å; E595-K644 VanDerWaalsContact CD-N 3.29Å; E595-K644 PolarHBondContact OE1-N 3.05Å; E595-K644 IonicContact OE1-NZ 2.57Å; E595-K644 PolarHBondContact OE1-NZ 3.22Å; E595-K644 WeakPolarHBondContact OE2-CD 3.28Å; E595-K644 WeakPolarHBondContact OE2-CE 3.47Å; E595-K644 WeakPolarHBondContact OE2-CG 3.44Å; E595-K644 IonicContact OE2-NZ 3.84Å; E595-K644 PolarHBondContact OE2-NZ 3.36Å
596L27.6Very low29Very low100 Ų100132.7 Ų132.752%0.52468%0.683SS.*  trans161.4137.2147.9-96.4162.9000111.6N642 K644L596-N642 CarbonylContact C-O 3.52Å; L596-N642 WeakPolarHBondContact CA-O 3.49Å; L596-K644 WeakPolarHBondContact CG-O 3.29Å
597I31.1Very low29Very low85 Ų85133 Ų13344%0.43669%0.689SS.*  trans-168.6154.7171.9-107.5156.4000107.4V641 N642 N643I597-V641 HydrophobicContact CG2-CB 4.19Å; I597-V641 HydrophobicContact CG2-CG1 3.99Å; I597-V641 HydrophobicContact CG2-CG2 3.97Å; I597-N642 PolarHBondContact N-O 2.96Å; I597-N643 PolarHBondContact O-ND2 3.44Å; I597-N643 VanDerWaalsContact O-ND2 3.15Å; I597-N643 PolarHBondContact O-OD1 2.97Å
598N32.9Very low29.2Very low91 Ų91131.4 Ų131.449%0.48769%0.693SS.*  trans74150.2166.1-73-2.9000119.1V641 N643N598-V641 HydrophobicContact CB-CG1 4.47Å; N598-V641 VanDerWaalsContact ND2-CG1 3.27Å; N598-V641 WeakPolarHBondContact ND2-CG1 3.45Å; N598-V641 WeakPolarHBondContact ND2-CG2 3.4Å; N598-N643 PolarHBondContact O-ND2 3.32Å
599C30.5Very low29.3Very low94 Ų94128.2 Ų128.264%0.63570%0.697SS**  cis-166.7-173.3-3-114.70000110.1
600T30.3Very low29.3Very low106 Ų106126.3 Ų126.365%0.6570%0.695SS**  cis-160.8132.21.26.40000110.9
601T29.1Very low29.4Very low123 Ų123128.6 Ų128.676%0.75570%0.699SS**  trans61.6172147.467.40000118.7
602K29.4Very low29.6Very low182 Ų182129.7 Ų129.779%0.79170%0.7SS**  cis-139147.612.3-73.6-175.7176.2179.80114.7
603T29.1Very low29.5Very low129 Ų129130 Ų13079%0.79170%0.702SS**  trans4.2139.7150.259.40000123.5
604R27.5Very low29.7Very low245 Ų245130.6 Ų130.693%0.92570%0.704SS**  -150.3151.5124.9-120.2-161172.4-164.1-2.1110.6
605P27.8Very low29.9Very low109 Ų109129.4 Ų129.471%0.70870%0.704SS**  trans-95.8167178.137.9-32.9000112.8
606L31.6Very low29.9Very low176 Ų176131.4 Ų131.492%0.92172%0.724SS**  trans-135.4138.4168-73175.3000110.6
607I29.5Very low30Very low161 Ų161134.4 Ų134.483%0.82674%0.74SS**  trans-123.3126.5174.9-61.8170.6000107.6
608P34.4Very low30Very low110 Ų110133.9 Ų133.971%0.71476%0.756SS**PPolyproline II helixtrans-96.4159.7159.534.2-27.1000111.6
609P32Very low29.7Very low128 Ų128136.9 Ų136.983%0.83177%0.772SS**PPolyproline II helixtrans-93.4168.2-15636.5-38.3000116.3
610S28.1Very low29.7Very low102 Ų102140.4 Ų140.471%0.71378%0.783SS**PPolyproline II helixtrans-71.6138.8173.9-470000113.7
611N28.6Very low29.7Very low153 Ų153139.7 Ų139.782%0.81878%0.783SS**  170.1166.6119.6-85.3-21.7000112.8
612Q30.3Very low29.7Very low175 Ų175138.6 Ų138.682%0.81878%0.78SS**  trans83.383.2166.6-50-165.813.700120.1
613L26.4Very low29.9Very low144 Ų144136.3 Ų136.375%0.75478%0.775SS**  58.7115.1114-62163.3000122.9
614I30.6Very low30Very low147 Ų147135 Ų13575%0.75477%0.767SS**  trans71.6140.1134.7-52.2165.9000117.8
615P32.3Very low30.4Very low104 Ų104123.9 Ų123.968%0.67573%0.727SS**  cis-141.3-177.4-41.942.4-22.3000115.8
616S29Very low30.9Very low96 Ų96118.8 Ų118.867%0.67169%0.694SS**  trans82.9146.7143.580.30000123.2
617N28.6Very low31Very low163 Ų163112 Ų11287%0.87266%0.663SS**  trans64.8106.3157.4-60.3-18.6000120.2
618G31.7Very low31.4Very low74 Ų74104.5 Ų104.576%0.76363%0.625SS**  trans167.558169.800000115.5L620G618-L620 PolarHBondContact O-N 3.49Å
619N27.4Very low31.7Very low154 Ų15499.6 Ų99.682%0.82459%0.592SS**  trans-77.9102.5-176.7-161.37.7000111.6
620L29.3Very low31.9Very low167 Ų16794.9 Ų94.987%0.87456%0.558SS**  trans-135.654.9-174.2-153.880.5000113.4G618 S622G618-L620 PolarHBondContact O-N 3.49Å; L620-S622 PolarHBondContact O-N 3.23Å; L620-S622 VanDerWaalsContact O-N 3.11Å
621S30.3Very low32.4Very low91 Ų9195 Ų9564%0.63655%0.546SS*.  trans-72.198.6-179.737.30000113.9
622S29.1Very low32.6Very low100 Ų10088.9 Ų88.970%0.69952%0.516SS*.  trans47.879.2146.861.70000119.1L620 T624L620-S622 PolarHBondContact O-N 3.23Å; L620-S622 VanDerWaalsContact O-N 3.11Å; S622-T624 PolarHBondContact O-N 2.97Å
623I33.3Very low32.9Very low134 Ų13485.3 Ų85.369%0.68750%0.497SS*.  trans-94.862.4164.2-48.9-177.3000110.9S625I623-S625 PolarHBondContact O-N 3.04Å
624T32.8Very low32.9Very low103 Ų10382.7 Ų82.763%0.63250%0.497SS*.  trans-80.963.5178.2-50.40000111N84 S622N84-T624 PolarHBondContact ND2-O 3.06Å; S622-T624 PolarHBondContact O-N 2.97Å
625S36.1Very low33.1Very low11 Ų1182.6 Ų82.68%0.07749%0.487CS..  trans-88.4130.6-169.5100.20000115.1K8 E83 I623 A627K8-S625 VanDerWaalsContact CE-OG 3.3Å; K8-S625 WeakPolarHBondContact CE-OG 3.37Å; K8-S625 PolarHBondContact NZ-O 2.97Å; K8-S625 PolarHBondContact NZ-OG 2.92Å; E83-S625 CarbonylContact O-C 3.59Å; E83-S625 WeakPolarHBondContact O-CA 3.32Å; E83-S625 WeakPolarHBondContact O-CB 3.35Å; I623-S625 PolarHBondContact O-N 3.04Å; S625-A627 PolarHBondContact O-N 3.26Å
626A37.4Very low33.2Very low1 Ų181.1 Ų81.11%0.00847%0.468CS..SBendtrans43.113.7158.200000119.8L10 E83 E88 S628 F629L10-A626 HydrophobicContact CD2-CB 4.46Å; E83-A626 PolarHBondContact O-N 2.57Å; E88-A626 WeakPolarHBondContact OE2-CA 3.46Å; E88-A626 PolarHBondContact OE2-N 3.15Å; A626-S628 VanDerWaalsContact C-N 3.26Å; A626-S628 PolarHBondContact O-N 3.08Å; A626-F629 PolarHBondContact O-N 3.06Å
627A32.9Very low33.4Very low33 Ų3384.3 Ų84.327%0.27347%0.47SS..THydrogen-bonded Turntrans-79.7-1.3-171.300000114L10 E88 S625 K631L10-A627 WeakPolarHBondContact O-CA 3.27Å; E88-A627 PolarHBondContact OE1-N 2.94Å; S625-A627 PolarHBondContact O-N 3.26Å; A627-K631 WeakPolarHBondContact O-CB 3.4Å; A627-K631 WeakPolarHBondContact O-CD 3.44Å; A627-K631 WeakPolarHBondContact O-CG 3.33Å
628S39Very low33.6Very low5 Ų582.5 Ų82.54%0.03547%0.468CS..THydrogen-bonded Turntrans-90.4-36.2169.770.70000113.6N85 E88 A626 Y630 K631 S632N85-S628 PolarHBondContact ND2-OG 3.07Å; N85-S628 PolarHBondContact OD1-OG 3.3Å; N85-S628 VanDerWaalsContact OD1-OG 3.11Å; E88-S628 VanDerWaalsContact CD-OG 3.23Å; E88-S628 WeakPolarHBondContact CG-OG 3.41Å; E88-S628 WeakPolarHBondContact OE1-CA 3.37Å; E88-S628 WeakPolarHBondContact OE1-CB 3.25Å; E88-S628 PolarHBondContact OE1-N 3.43Å; E88-S628 PolarHBondContact OE1-OG 3.46Å; A626-S628 VanDerWaalsContact C-N 3.26Å; A626-S628 PolarHBondContact O-N 3.08Å; S628-Y630 VanDerWaalsContact C-N 3.32Å; S628-Y630 PolarHBondContact O-N 3.16Å; S628-K631 CarbonylContact O-C 3.5Å; S628-K631 VanDerWaalsContact O-C 3.26Å; S628-K631 WeakPolarHBondContact O-CA 3.37Å; S628-K631 PolarHBondContact O-N 3.42Å; S628-S632 PolarHBondContact O-N 3Å
629F39.7Very low33.5Very low6 Ų682 Ų823%0.02646%0.462CS..G310 helixtrans-52.2-52.8-179.6171.7-143.7000110.8N85 E129 N130 L132 A142 D143 A626 K631 S632N85-F629 HydrophobicContact CB-CB 4.43Å; N85-F629 VanDerWaalsContact ND2-CA 3.35Å; N85-F629 WeakPolarHBondContact ND2-CA 3.32Å; N85-F629 WeakPolarHBondContact ND2-CB 3.48Å; N85-F629 PolarHBondContact ND2-N 2.9Å; N85-F629 VanDerWaalsContact ND2-N 3.2Å; E129-F629 WeakPolarHBondContact O-CD2 3.39Å; N130-F629 HydrophobicContact CB-CE2 4.43Å; L132-F629 HydrophobicContact CD1-CD1 4.16Å; L132-F629 HydrophobicContact CD1-CE1 3.76Å; L132-F629 HydrophobicContact CD2-CB 4.36Å; L132-F629 HydrophobicContact CD2-CD1 3.47Å; L132-F629 VanDerWaalsContact CD2-CD1 3.47Å; L132-F629 HydrophobicContact CD2-CE1 3.94Å; L132-F629 HydrophobicContact CD2-CG 4.05Å; L132-F629 HydrophobicContact CG-CD1 3.92Å; L132-F629 HydrophobicContact CG-CE1 3.86Å; L132-F629 HydrophobicContact CG-CZ 4.49Å; A142-F629 HydrophobicContact CB-CE1 3.95Å; A142-F629 HydrophobicContact CB-CE2 4.09Å; A142-F629 HydrophobicContact CB-CZ 3.4Å; A142-F629 VanDerWaalsContact CB-CZ 3.4Å; D143-F629 HydrophobicContact CB-CE2 3.77Å; D143-F629 HydrophobicContact CB-CZ 3.84Å; A626-F629 PolarHBondContact O-N 3.06Å; F629-K631 VanDerWaalsContact C-N 3.27Å; F629-K631 PolarHBondContact O-N 3.28Å; F629-S632 WeakPolarHBondContact O-CB 3.21Å; F629-S632 PolarHBondContact O-OG 3.06Å
630Y37.2Very low33.6Very low30 Ų3080 Ų8012%0.11846%0.457CS..G310 helixtrans-82.74.1179.7-57.3-67.6000114.3L10 G11 D12 V18 A31 S628L10-Y630 HydrophobicContact CB-CD2 3.47Å; L10-Y630 VanDerWaalsContact CB-CD2 3.47Å; L10-Y630 HydrophobicContact CB-CE2 4.17Å; L10-Y630 HydrophobicContact CB-CG 4.22Å; L10-Y630 HydrophobicContact CD1-CD2 3.74Å; L10-Y630 HydrophobicContact CD1-CE2 3.52Å; L10-Y630 HydrophobicContact CG-CD2 4.25Å; L10-Y630 HydrophobicContact CG-CE2 4.49Å; G11-Y630 CarbonylContact C-O 3.46Å; G11-Y630 VanDerWaalsContact CA-O 3.3Å; G11-Y630 WeakPolarHBondContact CA-O 3.45Å; D12-Y630 PolarHBondContact N-O 3.14Å; V18-Y630 HydrophobicContact CB-CD1 3.47Å; V18-Y630 VanDerWaalsContact CB-CD1 3.47Å; V18-Y630 HydrophobicContact CB-CD2 4.18Å; V18-Y630 HydrophobicContact CB-CE1 3.73Å; V18-Y630 HydrophobicContact CB-CE2 4.36Å; V18-Y630 HydrophobicContact CB-CG 3.67Å; V18-Y630 HydrophobicContact CG1-CD1 3.79Å; V18-Y630 HydrophobicContact CG1-CD2 4.18Å; V18-Y630 HydrophobicContact CG1-CE1 3.48Å; V18-Y630 VanDerWaalsContact CG1-CE1 3.48Å; V18-Y630 HydrophobicContact CG1-CE2 3.86Å; V18-Y630 HydrophobicContact CG1-CG 4.09Å; V18-Y630 VanDerWaalsContact CG1-CZ 3.48Å; V18-Y630 HydrophobicContact CG2-CD1 3.31Å; V18-Y630 HydrophobicContact CG2-CE1 3.61Å; V18-Y630 HydrophobicContact CG2-CG 3.99Å; A31-Y630 WeakPolarHBondContact CB-OH 3.48Å; S628-Y630 VanDerWaalsContact C-N 3.32Å; S628-Y630 PolarHBondContact O-N 3.16Å
631K38.6Very low33.6Very low103 Ų10376.2 Ų76.245%0.44844%0.441SS..G310 helixtrans-121.833.4173.6-62.9-174.5-168-179.60111.5L10 A627 S628 F629 K633 R635L10-K631 VanDerWaalsContact O-CE 3.24Å; L10-K631 WeakPolarHBondContact O-CE 3.46Å; A627-K631 WeakPolarHBondContact O-CB 3.4Å; A627-K631 WeakPolarHBondContact O-CD 3.44Å; A627-K631 WeakPolarHBondContact O-CG 3.33Å; S628-K631 CarbonylContact O-C 3.5Å; S628-K631 VanDerWaalsContact O-C 3.26Å; S628-K631 WeakPolarHBondContact O-CA 3.37Å; S628-K631 PolarHBondContact O-N 3.42Å; F629-K631 VanDerWaalsContact C-N 3.27Å; F629-K631 PolarHBondContact O-N 3.28Å; K631-K633 PolarHBondContact O-N 3.08Å; K631-K633 VanDerWaalsContact O-N 3.08Å; K631-R635 PolarHBondContact O-NH2 3.06Å
632S33.4Very low33.7Very low26 Ų2676.7 Ų76.718%0.18244%0.437CS..  trans-84.345.6-175.2530000113.9S161 S628 F629S161-S632 PolarHBondContact OG-O 3.44Å; S628-S632 PolarHBondContact O-N 3Å; F629-S632 WeakPolarHBondContact O-CB 3.21Å; F629-S632 PolarHBondContact O-OG 3.06Å
633K35Very low33.6Very low99 Ų9975.8 Ų75.843%0.4342%0.424SS..SBendtrans-132.8139.6161.7-69.9-168.2174.1-171.30109.7T14 V160 K631T14-K633 VanDerWaalsContact CG2-NZ 3.27Å; T14-K633 PolarHBondContact OG1-NZ 3.27Å; V160-K633 VanDerWaalsContact CG1-NZ 3.29Å; V160-K633 WeakPolarHBondContact O-CE 3.36Å; K631-K633 PolarHBondContact O-N 3.08Å; K631-K633 VanDerWaalsContact O-N 3.08Å
634A27.2Very low33.6Very low90 Ų9076.3 Ų76.374%0.74442%0.421SS*.SBendtrans53.376.8176.800000116.4
635R35.6Very low33.4Very low144 Ų14475.9 Ų75.954%0.54342%0.422SS..  trans-144.815.7163.6-117.4-173.5-59.1174.14.9116.5K631K631-R635 PolarHBondContact O-NH2 3.06Å
636Y34.8Very low33.1Very low73 Ų7385.3 Ų85.329%0.28646%0.462SS..  trans-139.383.2176.2-81.1-69.3000111.5Y87 K91 W164Y87-Y636 AromaticContact CE2-CE2 3.66Å; Y87-Y636 HydrophobicContact CE2-CE2 3.66Å; Y87-Y636 AromaticContact CE2-CZ 3.97Å; Y87-Y636 WeakPolarHBondContact CE2-OH 3.39Å; Y87-Y636 AromaticContact CZ-CE2 3.9Å; Y87-Y636 WeakPolarHBondContact OH-CE2 3.42Å; K91-Y636 WeakPolarHBondContact CE-OH 3.4Å; K91-Y636 PolarHBondContact NZ-OH 2.92Å; W164-Y636 AromaticContact CH2-CD1 3.45Å; W164-Y636 HydrophobicContact CH2-CD1 3.45Å; W164-Y636 VanDerWaalsContact CH2-CD1 3.45Å; W164-Y636 AromaticContact CH2-CD2 3.89Å; W164-Y636 HydrophobicContact CH2-CD2 3.89Å; W164-Y636 AromaticContact CH2-CE1 3.81Å; W164-Y636 HydrophobicContact CH2-CE1 3.81Å; W164-Y636 HydrophobicContact CH2-CE2 4.24Å; W164-Y636 AromaticContact CH2-CG 3.44Å; W164-Y636 HydrophobicContact CH2-CG 3.44Å; W164-Y636 VanDerWaalsContact CH2-CG 3.44Å; W164-Y636 HydrophobicContact CZ2-CD1 4.43Å; W164-Y636 HydrophobicContact CZ2-CG 4.27Å; W164-Y636 HydrophobicContact CZ3-CD1 4.07Å; W164-Y636 AromaticContact CZ3-CD2 3.87Å; W164-Y636 HydrophobicContact CZ3-CD2 3.87Å; W164-Y636 HydrophobicContact CZ3-CE1 4.06Å; W164-Y636 AromaticContact CZ3-CE2 3.9Å; W164-Y636 HydrophobicContact CZ3-CE2 3.9Å; W164-Y636 AromaticContact CZ3-CG 3.93Å; W164-Y636 HydrophobicContact CZ3-CG 3.93Å; W164-Y636 AromaticContact CZ3-CZ 3.95Å
637F31.2Very low32.6Very low163 Ų16393.8 Ų93.872%0.71550%0.499SS*.  trans-138.5117.1164.8-80.8-78.5000108.7G639F637-G639 PolarHBondContact O-N 3.38Å
638P32.8Very low32.5Very low126 Ų12698.4 Ų98.482%0.81853%0.526SS*.PPolyproline II helixtrans-71.2116.615530.1-28.7000107.5
639G29.6Very low31.9Very low62 Ų62106 Ų10664%0.63956%0.561SS**PPolyproline II helixtrans-70.7139.3176.800000111.2F637F637-G639 PolarHBondContact O-N 3.38Å
640P31.4Very low31.4Very low113 Ų113111 Ų11173%0.73460%0.595SS**PPolyproline II helixtrans-69.9146.5176.629.8-34.5000111.6
641V28.6Very low31Very low88 Ų88115.8 Ų115.853%0.53363%0.627SS.*  trans-106.6120.3174.3165.40000108.3I597 N598I597-V641 HydrophobicContact CG2-CB 4.19Å; I597-V641 HydrophobicContact CG2-CG1 3.99Å; I597-V641 HydrophobicContact CG2-CG2 3.97Å; N598-V641 HydrophobicContact CB-CG1 4.47Å; N598-V641 VanDerWaalsContact ND2-CG1 3.27Å; N598-V641 WeakPolarHBondContact ND2-CG1 3.45Å; N598-V641 WeakPolarHBondContact ND2-CG2 3.4Å
642N31.5Very low30.6Very low101 Ų101118.2 Ų118.254%0.5464%0.644SS.*  trans-150153.5173.1-97.6-18.5000109.8E595 L596 I597E595-N642 HydrophobicContact CG-CB 3.74Å; E595-N642 WeakPolarHBondContact OE1-CB 3.31Å; L596-N642 CarbonylContact C-O 3.52Å; L596-N642 WeakPolarHBondContact CA-O 3.49Å; I597-N642 PolarHBondContact N-O 2.96Å
643N28.3Very low30.7Very low81 Ų81122 Ų12243%0.43367%0.669SS.*  trans-148.653.4-149.2-157.4-12000116.5E595 I597 N598E595-N643 PolarHBondContact OE1-N 3.1Å; I597-N643 PolarHBondContact O-ND2 3.44Å; I597-N643 VanDerWaalsContact O-ND2 3.15Å; I597-N643 PolarHBondContact O-OD1 2.97Å; N598-N643 PolarHBondContact O-ND2 3.32Å
644K33Very low30.6Very low145 Ų145123 Ų12363%0.6368%0.683SS**  trans-81.184.6174.55690.5-178.569.80117.3E595 L596E595-K644 VanDerWaalsContact CD-N 3.29Å; E595-K644 PolarHBondContact OE1-N 3.05Å; E595-K644 IonicContact OE1-NZ 2.57Å; E595-K644 PolarHBondContact OE1-NZ 3.22Å; E595-K644 WeakPolarHBondContact OE2-CD 3.28Å; E595-K644 WeakPolarHBondContact OE2-CE 3.47Å; E595-K644 WeakPolarHBondContact OE2-CG 3.44Å; E595-K644 IonicContact OE2-NZ 3.84Å; E595-K644 PolarHBondContact OE2-NZ 3.36Å; L596-K644 WeakPolarHBondContact CG-O 3.29Å
645S28.4Very low30.9Very low94 Ų94125.3 Ų125.366%0.65768%0.682SS**  trans-67.6149.7177.762.70000116.8
646K30.7Very low30.8Very low208 Ų208123.5 Ų123.590%0.90468%0.683SS**  trans-140.3153.5161.6-82.5-173.9179.7169.10112.2
647K26.9Very low30.8Very low180 Ų180127.4 Ų127.478%0.78370%0.702SS**  trans-88.5170.3-170.3-58.1178.9179.9178.10113.5
648P28.7Very low30.8Very low129 Ų129126.9 Ų126.984%0.83871%0.706SS**  -127.3176.1105.238-33.8000114.9
649Q28.4Very low30.8Very low166 Ų166125.6 Ų125.678%0.77670%0.695SS**  trans-108.2170.4173.2-53.2156.5-100.100108.4
650C27.2Very low31.1Very low109 Ų109131.6 Ų131.674%0.73671%0.707SS**  cis-119.7-150.40.3-66.80000108.8
651T30.4Very low31.2Very low131 Ų131133.2 Ų133.280%0.80470%0.704SS**  cis-156.1170.92-27.70000109.3
652L30.5Very low31.6Very low154 Ų154133.7 Ų133.781%0.80671%0.709SS**  trans-150.9174.2176.5-100.6174.9000109.6
653P34.4Very low31.7Very low106 Ų106134.8 Ų134.869%0.68872%0.719SS**  cis-114.4-149.629.423.32.9000113.3
654T34Very low31.9Very low121 Ų121138.6 Ų138.674%0.74274%0.74SS**  cis-160-178.720-32.30000113.8
655L31.9Very low31.8Very low137 Ų137136 Ų13672%0.71774%0.74SS**  trans-71.1174.2178-86.857.4000114.3
656D34.2Very low32.2Very low106 Ų106139.6 Ų139.657%0.56775%0.746SS**  cis-162.4179.611.3-125.4-5000108.5
657K34.7Very low32.2Very low156 Ų156137.9 Ų137.968%0.67874%0.739SS**  cis-159.1-168.9-14.3-132168-161.874.60105.6
658L31.5Very low32.5Very low152 Ų152135.6 Ų135.680%0.79673%0.731SS**  cis-150.6-157.21.8-139.7174.1000107.8
659V33.2Very low32.6Very low99 Ų99135.4 Ų135.460%0.672%0.723SS**  trans-158.6145.4-178.364.70000114.5
660Q35Very low32.9Very low187 Ų187135.4 Ų135.487%0.87472%0.722SS**  trans-169.7156.9156.7-103.8161.819.800112
661H33.6Very low33.2Very low147 Ų147134.7 Ų134.768%0.68172%0.717SS**  -169.8-171.1-50.5-105.1-52.4000108.7
662P37.4Very low33.2Very low98 Ų98133 Ų13364%0.63671%0.71SS**  -138.8-160.3-98.641-16.7000117.6
663T32.5Very low33.3Very low124 Ų124132.6 Ų132.676%0.76171%0.714SS**  trans70.2131.4157.741.70000119.5
664D33.7Very low33.1Very low161 Ų161135.3 Ų135.386%0.86172%0.717SS**  -153-161.375.6-118.9-28.3000116.4
665S31Very low33.1Very low92 Ų92135.2 Ų135.264%0.64372%0.716SS**  trans-137.7-163.8-147.9750000120.2
666H37Very low33Very low168 Ų168140 Ų14078%0.77873%0.727SS**  trans90.4124.7-173.6-61.4-97.1000116.9
667K30.2Very low33Very low173 Ų173140.2 Ų140.275%0.75273%0.732SS**  cis78.5134.546.6-80.1-165163.7-144.80113.5
668E32.6Very low32.8Very low132 Ų132140.3 Ų140.362%0.61774%0.74SS**  cis-155.6171.77-78.8-121.4-173.600107.4
669N30.9Very low32.8Very low125 Ų125143.5 Ų143.567%0.66874%0.743SS**  cis-179.3-167.8-14.5-177.1-1.6000108
670H34.1Very low32.8Very low165 Ų165143.4 Ų143.476%0.76474%0.744SS**  trans78.8151.9173.9-93.2-112000119.1
671P35Very low32.8Very low95 Ų95139.6 Ų139.662%0.61774%0.744SS**  -143.7163.5-119.642.7-22.2000120
672S30.4Very low32.8Very low95 Ų95140.3 Ų140.366%0.66475%0.748SS**  trans32.9125.5147630000122.8
673V31.6Very low32.5Very low146 Ų146140.3 Ų140.389%0.88575%0.75SS**  trans-112.2134146.2173.60000108.9
674Q31.4Very low32.5Very low162 Ų162144.7 Ų144.776%0.75775%0.754SS**PPolyproline II helixtrans-78.6132.2-172.9-130.780.3-20.400113.4
675T32.3Very low32.5Very low119 Ų119143 Ų14373%0.7374%0.744SS**PPolyproline II helixtrans-92.8132159.950.80000110.3
676Y31.2Very low32.6Very low237 Ų237145.3 Ų145.393%0.92975%0.749SS**PPolyproline II helixtrans-63.2144.5172-106.9-104.1000111.5
677V33.9Very low32.2Very low111 Ų111144.3 Ų144.367%0.67375%0.749SS**  trans-126.9144.5177.1179.30000108.8
678D31.1Very low32.4Very low158 Ų158142.4 Ų142.485%0.84575%0.752SS**PPolyproline II helixtrans-61.7135.3-177.9-62.2-75.2000113.4
679Y31.4Very low32.2Very low219 Ų219147.3 Ų147.386%0.85977%0.765SS**PPolyproline II helixtrans-90127.5169.3-96.7-92000110.9
680P32.7Very low32.4Very low97 Ų97148.8 Ų148.863%0.6377%0.773SS**PPolyproline II helixtrans-77.2133.8172.231.4-33000111H682P680-H682 PolarHBondContact O-N 3.25Å
681A34.6Very low32.3Very low107 Ų107148.9 Ų148.988%0.88478%0.778SS**  trans-71.6115.4172.800000110.3
682H33Very low32.3Very low163 Ų163149.5 Ų149.576%0.75578%0.781SS**  trans-68.8134.1179.8-88.4-114.6000112.5P680P680-H682 PolarHBondContact O-N 3.25Å
683S31.4Very low32.4Very low97 Ų97152.3 Ų152.368%0.67879%0.789SS**  trans-79.9112.7166.8550000110.7I685S683-I685 PolarHBondContact O-N 3.28Å
684Y32.1Very low32.5Very low216 Ų216150.6 Ų150.685%0.84778%0.784SS**  trans-75.1107.7165.5-87.2-92.5000110
685I33.9Very low32.6Very low125 Ų125150 Ų15064%0.64179%0.791SS**  trans-98105.4170.5-61.4177000107.9S683 N687S683-I685 PolarHBondContact O-N 3.28Å; I685-N687 PolarHBondContact O-N 3.31Å
686N34.1Very low32.6Very low141 Ų141147.8 Ų147.875%0.75479%0.791SS**  trans-78.297.7170.1-79.5-3.8000109.8T688N686-T688 PolarHBondContact O-N 3.18Å
687N28.8Very low32.6Very low147 Ų147144 Ų14479%0.78679%0.787SS**  trans-80.289.2169.9-85-12.6000110.8I685I685-N687 PolarHBondContact O-N 3.31Å
688T33.9Very low32.3Very low133 Ų133143.4 Ų143.482%0.81679%0.788SS**  trans-139.196.3161.637.90000111.6N686N686-T688 PolarHBondContact O-N 3.18Å
689R29.6Very low32.3Very low235 Ų235144.3 Ų144.389%0.88779%0.785SS**  trans-134.2124.3154.3-80.1-174.9174.5169.6-0.9107.2
690D33.5Very low32.2Very low157 Ų157140.1 Ų140.184%0.8478%0.777SS**  trans16488.8138.5-83.2-10.1000110.3
691I33.6Very low31.9Very low167 Ų167139.8 Ų139.886%0.85678%0.777SS**  trans-143.7121.7159-53.8179.2000108.4
692P33.9Very low31.6Very low107 Ų107141.1 Ų141.170%0.69577%0.774SS**  trans-102.2130.6160.233.9-26000111.5
693N31.7Very low31.4Very low154 Ų154140 Ų14082%0.82477%0.774SS**  trans42.5121.5154.1-52.2-26.5000118.7
694S34.9Very low31.3Very low111 Ų111140.4 Ų140.478%0.77677%0.772SS**  -178.9157.579.744.10000113.9
695V33.6Very low31.1Very low150 Ų150137.2 Ų137.291%0.90977%0.77SS**  trans31.3125.3154.4-173.30000120
696G31.6Very low30.8Very low71 Ų71137.3 Ų137.373%0.73278%0.781SS**  trans165.4106158.100000115.6
697N30.9Very low30.6Very low158 Ų158133.9 Ų133.985%0.84578%0.779SS**  trans-70.7139.1-174.8-72.7-16.1000116.1
698S28.3Very low30.7Very low98 Ų98135.1 Ų135.169%0.68579%0.785SS**  80.6152.1125.770.20000124.4
699F31.6Very low30.4Very low178 Ų178134.8 Ų134.878%0.78178%0.783SS**  trans79108.7160.1-72.4-72.5000122
700D28.2Very low30.3Very low130 Ų130132 Ų13270%0.69578%0.782SS**  56.998.9125.8-667.5000123.9
701S26.5Very low30.1Very low91 Ų91131.8 Ų131.864%0.63678%0.779SS**  77.4135111.784.80000122.3
702T28.9Very low29.9Very low134 Ų134131.2 Ų131.282%0.82277%0.773SS**  trans65.2142.716576.80000114.8
703N29.4Very low29.6Very low139 Ų139133.2 Ų133.274%0.74378%0.778SS**  cis-174.1176.329.2-159.8-4.2000109.8
704V29.2Very low29.5Very low106 Ų106135.3 Ų135.364%0.64278%0.78SS**  trans42.6114160.9-80.50000123.5
705N27.8Very low29.3Very low150 Ų150137.3 Ų137.380%0.80278%0.78SS**  57.3141.4120.1-66-7.1000125.2
706S27.9Very low29Very low126 Ų126137.6 Ų137.688%0.88177%0.771SS**  trans100.5147.6139.679.30000119.8
707G28.8Very low28.8Very low69 Ų69142.1 Ų142.171%0.71177%0.773SS**  trans93132.3-17700000114.1
708L30.1Very low28.8Very low173 Ų173142.4 Ų142.491%0.90677%0.774SS**  cis-148.4158.2-5.1-98.2170.5000110.6
709T27.8Very low28.9Very low126 Ų126142.1 Ų142.177%0.77377%0.771SS**  trans-112.5-177.9-179.746.80000112.9
710M27.8Very low28.7Very low177 Ų177140.5 Ų140.587%0.87277%0.771SS**  trans87.3148.6-172.4-49.4-169.6-178.200113.3
711I30.6Very low28.8Very low152 Ų152139.9 Ų139.978%0.77977%0.772SS**  cis-138.815613.7-64.1170.2000107.4
712Q29.1Very low28.8Very low156 Ų156140.8 Ų140.873%0.72977%0.774SS**  cis168.3118.7-23-164.7173.614.500107.1
713N26.1Very low28.7Very low149 Ų149140.8 Ų140.880%0.79777%0.768SS**  trans31.6132155.8-58-6.7000124.8
714K29.8Very low28.5Very low198 Ų198142.5 Ų142.586%0.86177%0.769SS**  trans173143.7134.3-93.4171.4179.3178.90108.1
715I30.8Very low28.5Very low152 Ų152142.2 Ų142.278%0.77977%0.77SS**  cis-148.7168.73.8-117.5152.2000110.7
716H27.2Very low28.6Very low156 Ų156145.8 Ų145.872%0.72277%0.772SS**  trans-81.5174.6-171.8-92.2-136.3000117.7
717H28.9Very low28.4Very low167 Ų167144.8 Ų144.877%0.77377%0.765SS**  trans76.5142.5164.3-60.2-73.5000116.4
718L30.9Very low28.5Very low164 Ų164147.5 Ų147.586%0.85976%0.762SS**  cis-126.4140.111.4-72.4162.4000113.1
719S29Very low28.3Very low91 Ų91145.5 Ų145.564%0.63675%0.752SS**  trans-97.6-167.3147.156.50000109.2
720D28.6Very low28.5Very low145 Ų145147 Ų14778%0.77576%0.756SS**  trans79.7145.1168-53.816.1000113.9
721T29.2Very low28.3Very low116 Ų116145.5 Ų145.571%0.71275%0.751SS**  cis-159.7137-1.7-117.80000113.5
722V26.9Very low28.2Very low111 Ų111143.4 Ų143.467%0.67375%0.749SS**  trans52.4130.5134.6-174.60000123.2
723L26.3Very low28.3Very low133 Ų133141.5 Ų141.570%0.69675%0.749SS**  trans59.2150.3159-67.1166.2000117.9
724F26.7Very low28.3Very low175 Ų175142.5 Ų142.577%0.76875%0.749SS**  cis-148157.435.9-99.9-91000113.5
725P29.3Very low28.2Very low101 Ų101142 Ų14266%0.65675%0.752SS**  trans-102128.7165.135.3-26.8000112.3
726W29.1Very low28.1Very low224 Ų224140.6 Ų140.685%0.84875%0.746SS**  trans-121.2117.5168-102.550.5000111.8I728W726-I728 HydrophobicContact CE3-CD1 3.87Å; W726-I728 HydrophobicContact CE3-CG1 4.15Å; W726-I728 HydrophobicContact CZ3-CD1 3.74Å; W726-I728 HydrophobicContact CZ3-CG1 4.37Å
727S22.7Very low28.4Very low105 Ų105138 Ų13873%0.73474%0.742SS**  trans-110.3123.6167.4141.10000107.2
728I31.7Very low28.4Very low127 Ų127138.3 Ų138.365%0.65174%0.742SS**  trans-113.8106.8162.3-68.4-178.3000107.7W726W726-I728 HydrophobicContact CE3-CD1 3.87Å; W726-I728 HydrophobicContact CE3-CG1 4.15Å; W726-I728 HydrophobicContact CZ3-CD1 3.74Å; W726-I728 HydrophobicContact CZ3-CG1 4.37Å
729N25.4Very low28.3Very low131 Ų131135.2 Ų135.270%0.70173%0.734SS**  trans-68.2138.5150.1-84.8-20.8000107.9
730N31.7Very low28.2Very low158 Ų158138.1 Ų138.185%0.84574%0.741SS**  trans-148.1134.7137.5-113.2-26.7000110.5
731N25.5Very low28.1Very low145 Ų145135.4 Ų135.478%0.77573%0.734SS**  trans-86.6144-174.9-55.9-60.2000110.8
732S28.5Very low28.3Very low107 Ų107139.1 Ų139.175%0.74874%0.74SS**  trans-168134.113738.40000113
733T29.8Very low28.3Very low116 Ų116139.3 Ų139.371%0.71275%0.746SS**  trans35.7107.9151.350.10000119.2
734Q26.1Very low28.4Very low171 Ų171137.5 Ų137.580%0.79975%0.75SS**  66.1116.485-74.6-176.7-17.400115.7
735M29Very low28.4Very low188 Ų188134.7 Ų134.793%0.92675%0.753SS**  -167.2158.8111.5-94.2-85.3170.500110.4
736D28.4Very low28.4Very low122 Ų122140 Ų14065%0.65277%0.765SS**  trans-95.8154.3-162.8-158.655.3000113.5K738D736-K738 IonicContact OD2-NZ 3.74Å; D736-K738 PolarHBondContact OD2-NZ 3.33Å
737P34Very low28.4Very low100 Ų100135 Ų13565%0.64976%0.759SS**  trans-98.7136.618035.3-29.2000113.4
738K28.7Very low28.8Very low174 Ų174137.6 Ų137.676%0.75776%0.764SS**  trans-169.5141.2160.1-102.1132.8-150.6154.30116.8D736D736-K738 IonicContact OD2-NZ 3.74Å; D736-K738 PolarHBondContact OD2-NZ 3.33Å
739S27.2Very low28.7Very low99 Ų99140.9 Ų140.969%0.69277%0.77SS**  trans84.9148.7133.281.30000122.5
740L28.8Very low29.1Very low153 Ų153142.3 Ų142.380%0.80178%0.777SS**  trans63.5113.6158.2-58.5160.7000117.1
741S26.1Very low29.2Very low87 Ų87139.1 Ų139.161%0.60876%0.764SS**  cis91149.639.7830000115.1
742K32.7Very low29.8Very low195 Ų195142.2 Ų142.285%0.84877%0.77SS**  trans85.5126.2-170.3-55.2169.3-177.2175.30112.5
743S26Very low30.2Very low115 Ų115147 Ų14780%0.80478%0.778SS**  cis95.5140.723-550000114.9
744A29.2Very low30.6Very low94 Ų94145 Ų14578%0.77778%0.78SS**  trans67.4126.5-170.400000114.2
745S26Very low31.1Very low117 Ų117143.7 Ų143.782%0.81878%0.778SS**  cis8797.934.1-57.80000114.9
746K31.1Very low31.2Very low213 Ų213141.4 Ų141.493%0.92677%0.769SS**  trans-162.2159.5136.4-118.9172.2-176.8177.40115.1
747T27.3Very low31.6Very low117 Ų117142.3 Ų142.372%0.71878%0.779SS**  trans-92.5158-174.7-13.40000112.8
748L31.6Very low31.6Very low160 Ų160145.7 Ų145.784%0.83878%0.783SS**  trans171.7114.7139.5-88.8152.9000106.8
749Y29.6Very low31.9Very low197 Ų197143.2 Ų143.277%0.77378%0.783SS**  59.7120.278.6-94.5-77.5000116.1
750D35.1Very low32.5Very low160 Ų160144.1 Ų144.186%0.85679%0.787SS**  -156.3173.6119.5-145-18.3000112.7
751T33.4Very low32.8Very low92 Ų92143.9 Ų143.956%0.56479%0.786SS**  trans-145.3146.5-153.1-41.30000114.8
752K38.1Very low33.7Very low210 Ų210144 Ų14491%0.91379%0.785SS**  trans-156.1101.4157.3-100.1159.7-173.5174.50109.1
753K35.5Very low34.1Very low207 Ų207142.5 Ų142.590%0.979%0.786SS**  74.2124.275.1-95.2-168.3172.5-178.70116.2
754G38.9Very low34.6Very low73 Ų73143.5 Ų143.575%0.75378%0.781SS**  trans17269.2172.400000117.4
755N36.5Very low34.9Very low145 Ų145148 Ų14878%0.77579%0.786SS**  trans35.1116.3150.9-63.10.3000121.4
756L31.7Very low35.2Very low139 Ų139149 Ų14973%0.72878%0.782SS**  72.5127.493.5-82.7149000115.3
757V36.1Very low35.5Very low141 Ų141144.8 Ų144.886%0.85578%0.779SS**  -154.5169.582.2151.90000112.4
758K34.9Very low35.8Very low172 Ų172148.5 Ų148.575%0.74879%0.789SS**  trans-113.8-176.1-178.5-52.2-179.7-178.2178.40111.3
759T34Very low35.8Very low121 Ų121144.4 Ų144.474%0.74279%0.785SS**  cis-170.1-175.84.7-3.80000106.4
760P40.6Very low35.9Very low119 Ų119143.1 Ų143.177%0.77379%0.786SS**  cis-132-168.5-15.238.6-18.2000114.7
761N34.5Very low35.8Very low148 Ų148141.3 Ų141.379%0.79178%0.776SS**  trans-99.9-168.3169.1-141.629.2000109
762P44.6Very low35.5Very low89 Ų89143.9 Ų143.958%0.57879%0.791SS**  cis-137.2-172.7-0.844.9-27.1000115.9
763D41.4Very low35.2Very low163 Ų163138.5 Ų138.587%0.87278%0.779SS**  trans-155.3166.4135.7-111-29.6000111.3
764I36.3Very low34.9Very low137 Ų137137.5 Ų137.570%0.70378%0.777SS**  trans-139138.2-160.5-65.5167000111.9
765E35.5Very low34.6Very low187 Ų187143.2 Ų143.287%0.87478%0.782SS**  -167.7167.8128.4-111.8-173.2177.800116.6
766N33.7Very low34.1Very low140 Ų140148.1 Ų148.175%0.74979%0.789SS**  trans-95.1155.2-154.9-60.6-77.7000115.7
767S36.3Very low34.2Very low124 Ų124144.2 Ų144.287%0.86778%0.783SS**  trans-161.6167132.542.50000111
768Q33.7Very low34Very low195 Ų195144 Ų14491%0.91177%0.772SS**  trans-114.1154.1-152.6-63173-22.400115.5
769G31.7Very low34.1Very low73 Ų73143.2 Ų143.275%0.75378%0.775SS**  trans90.3154155.400000117
770Q31.8Very low33.9Very low170 Ų170145.2 Ų145.279%0.79478%0.776SS**  cis-164.8156.5-15.1-131.3-1758.800109.8
771N32.5Very low33.5Very low123 Ų123145.8 Ų145.866%0.65878%0.776SS**  trans55.596.5152.3-57.2-18.5000120.1
772V28Very low33.5Very low145 Ų145144.5 Ų144.588%0.87978%0.779SS**  trans-64.4133.7143.1174.30000108.8
773C31.4Very low32.8Very low98 Ų98143.7 Ų143.766%0.66279%0.787SS**  trans-144.5127.7167.6-86.50000111.5
774H29.2Very low32.4Very low186 Ų186143.1 Ų143.186%0.86179%0.789SS**  trans-74.7144.6154.3-77.2-17.9000108.9
775F31.4Very low32.1Very low192 Ų192139.3 Ų139.384%0.84278%0.784SS**  trans-137.5121156.2-106-80.9000111.8
776R27.9Very low32Very low248 Ų248139.9 Ų139.994%0.93678%0.784SS**  trans-122.594.1165.5179.2-177-177.1-179.21.2105
777G33.7Very low32Very low58 Ų58140.2 Ų140.260%0.59879%0.785SS**  trans-116.4122.6-17000000112.6
778H31Very low32Very low135 Ų135140.1 Ų140.163%0.62578%0.784SS**  trans-81.2152.4150.5-61175000108F439F439-H778 AromaticContact CE2-CD2 3.78Å; F439-H778 AromaticContact CE2-CE1 3.35Å; F439-H778 WeakPolarHBondContact CE2-CE1 3.48Å; F439-H778 AromaticContact CE2-CG 3.76Å; F439-H778 AromaticContact CE2-ND1 3.49Å; F439-H778 WeakPolarHBondContact CE2-ND1 3.15Å; F439-H778 AromaticContact CE2-NE2 3.55Å; F439-H778 HydrophobicContact CZ-CB 3.97Å; F439-H778 AromaticContact CZ-CD2 3.57Å; F439-H778 AromaticContact CZ-CE1 3.89Å; F439-H778 AromaticContact CZ-CG 3.47Å; F439-H778 VanDerWaalsContact CZ-CG 3.47Å; F439-H778 AromaticContact CZ-ND1 3.67Å; F439-H778 AromaticContact CZ-NE2 3.87Å
779I36.6Very low32Very low156 Ų156133.9 Ų133.980%0.877%0.772SS**  trans-133.3128.9163.9-65.2-178.5000107.2
780E30.5Very low32.4Very low164 Ų164138 Ų13877%0.76678%0.777SS**  trans-90.2154.3170.3-65-174.5130.100109.9
781V32.2Very low32.5Very low130 Ų130140.6 Ų140.679%0.78878%0.779SS**  trans-115.4123.8179.5-178.10000109.7
782S34.1Very low32.7Very low122 Ų122143 Ų14385%0.85379%0.791SS**  trans-131.8151.6162.857.60000108.1
783G29.9Very low33.1Very low71 Ų71139.3 Ų139.373%0.73278%0.782SS**  trans-164.6164.9-168.500000116.8
784V33.6Very low33.2Very low151 Ų151140.6 Ų140.692%0.91579%0.79SS**  trans-164.1155.8175.5-92.20000105.7
785G30.1Very low33.5Very low58 Ų58142.1 Ų142.160%0.59880%0.795SS**  cis158.3161.7-1.100000109.7
786F32.8Very low33.6Very low199 Ų199143.8 Ų143.887%0.87380%0.796SS**  trans69.3157173.4-59.5-96.8000118.2
787L33.9Very low34.3Very low147 Ų147138.2 Ų138.277%0.7779%0.792SS**  -169.1160.2-50.1-118.8175.6000111.7
788S35.8Very low34.4Very low121 Ų121141.5 Ų141.585%0.84681%0.805SS**  trans68.9155.5167.977.30000119.2
789G34.8Very low34.8Very low65 Ų65139.4 Ų139.467%0.6781%0.812SS**  cis173164.8-9.300000115.1
790N38.8Very low34.9Very low160 Ų160143.5 Ų143.586%0.85682%0.817SS**  trans76.1159.3172.8-60.5-31.7000120.2
791R33.5Very low35.2Very low223 Ų223140.4 Ų140.484%0.84282%0.82SS**  -173.2163.2-52.2-122.2-173.6-169.7-144.35.1111.3
792I37.6Very low36Very low174 Ų174140 Ų14089%0.89282%0.819SS**  trans74.8145.3168.7-55.4146.7000114.7
793G36Very low35.9Very low67 Ų67143.5 Ų143.569%0.69182%0.82SS**  cis-166.1-178.60.700000112.9
794C33.5Very low36.8Very low125 Ų125144.5 Ų144.585%0.84581%0.814SS**  trans-119.9163.8-163.6-47.30000115.1
795F35Very low37Very low219 Ų219145.3 Ų145.396%0.96181%0.805SS**  trans-168.3157.7141.1-112.2-70.6000114.2
796R33.8Very low37.5Very low227 Ų227150.7 Ų150.786%0.85781%0.814SS**  trans-163.3146.3179.3-166.3-169.9-162.8-162.68.8111.4
797P43Very low37.8Very low131 Ų131146.5 Ų146.585%0.85181%0.809SS**  trans-135.4176.5157.633.3-15.8000115.1
798S34.7Very low38.1Very low126 Ų126146.9 Ų146.988%0.88181%0.812SS**  trans-159.4141.5-173.9179.10000114.6
799A41.3Very low38.5Very low92 Ų92146.5 Ų146.576%0.7681%0.807SS**  trans-177174.1165.300000109.9
800R38.2Very low38.6Very low241 Ų241148.5 Ų148.591%0.90981%0.811SS**  -156.6158.7-50.9-107.3-172.7175.1-163.1-1.7108.5
801A36.3Very low38.4Very low100 Ų100146.3 Ų146.383%0.82681%0.808SS**  trans-68.9-168.8176.900000115.4
802P48.5Very low38.4Very low120 Ų120147.3 Ų147.378%0.77981%0.812SS**  cis-140-173.75.543.3-23000118.1
803F33Very low38.2Very low196 Ų196145.1 Ų145.186%0.8681%0.807SS**  trans-52.6-168.8172.3-67.6-87.5000119.1
804P48.4Very low38.3Very low93 Ų93148.5 Ų148.560%0.60481%0.809SS**  cis-137.2172.1-10.816.310.6000117.4
805F37.7Very low38.2Very low168 Ų168154 Ų15474%0.73781%0.812SS**  153.4138.8113.7-94-64.9000116.8
806H40.8Very low38.1Very low170 Ų170146.8 Ų146.879%0.78779%0.793SS**  trans47.1142.2159-64.1-57000121.3
807S39.5Very low38.2Very low111 Ų111140.6 Ų140.678%0.77679%0.79SS**  cis-147.3152.62.651.50000113.3
808N40.5Very low37.8Very low155 Ų155143 Ų14383%0.82979%0.787SS**  trans-62.1169.3172.1-115.3-13.7000113
809P43Very low37.7Very low113 Ų113146.3 Ų146.373%0.73478%0.782SS**  cis-118.8-162.2-7.343.7-28.4000110.5
810S37.7Very low37.2Very low108 Ų108148.2 Ų148.276%0.75578%0.779SS**  cis-150.7168.2959.30000113R812S810-R812 PolarHBondContact O-N 3.35Å
811S35Very low37Very low113 Ų113145.7 Ų145.779%0.7977%0.774SS**  trans-71.5108.1-175.953.40000116.7
812R32.2Very low36.9Very low244 Ų244150.2 Ų150.292%0.92180%0.8SS**  trans-143.392.2146.5-165.5178.2-169.8175.52.8109.3S810S810-R812 PolarHBondContact O-N 3.35Å
813T34.9Very low36.3Very low129 Ų129151.8 Ų151.879%0.79180%0.801SS**  trans-109.5126177.848.60000108.7
814D36.5Very low36.5Very low138 Ų138149.4 Ų149.474%0.73880%0.798SS**  cis76119.327.3-162.535.9000115.7
815W31.6Very low35.9Very low240 Ų240152.6 Ų152.691%0.90981%0.809SS**  trans-175.5105.5151.2-113.951.9000105.7
816A34Very low35.8Very low67 Ų67151.6 Ų151.655%0.55481%0.813SS**  67.7108.580.700000112.2
817A34.8Very low35.4Very low97 Ų97150.5 Ų150.580%0.80281%0.814SS**  cis94.7160.92200000116.2
818K35.4Very low35.2Very low182 Ų182153.1 Ų153.179%0.79182%0.817SS**  trans82.2143.6-167.7-51.7176.4-179.7175.10112.8
819Y32.2Very low34.8Very low195 Ų195153 Ų15377%0.76582%0.816SS**  cis-135.2124.333.7-112.5-100.3000116.9
820L32Very low34.2Very low132 Ų132156.1 Ų156.169%0.69182%0.823SS**  trans64.1139.8141.5-76-173.6000125.4
821K34Very low33.9Very low189 Ų189160.1 Ų160.182%0.82283%0.828SS**  trans66.596.4153-68.1173178.3-176.30116.5
822S33.7Very low33.8Very low195 Ų195164.4 Ų164.4100%1.36483%0.832SS**  -135.7056.757.70000114.1

Retrieved 822 of 822 residues in 272.7 ms (Link to these results)

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