A0A077ZK60_TRITR Loading...

Pre-mRNA-splicing factor 38

Required for pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A077ZK60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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
1M51.4Low84.3Confident183 Ų183102.8 Ų102.890%0.90154%0.541SS*.  0140.60-125.188.8170.900109F40M1-F40 HydrophobicContact CE-CD2 4.35Å; M1-F40 HydrophobicContact CE-CE1 4.21Å; M1-F40 HydrophobicContact CE-CE2 3.33Å; M1-F40 HydrophobicContact CE-CZ 3.24Å; M1-F40 HydrophobicContact CG-CE2 4.22Å; M1-F40 HydrophobicContact SD-CD2 4.5Å; M1-F40 HydrophobicContact SD-CE2 3.41Å; M1-F40 WeakPolarHBondContact SD-CE2 3.36Å; M1-F40 HydrophobicContact SD-CZ 3.81Å
2A69.4Low85Confident62 Ų6294.9 Ų94.951%0.51250%0.5SS..  trans-89.7113.3178.300000109.5R4A2-R4 HydrophobicContact CB-CB 4.14Å; A2-R4 HydrophobicContact CB-CG 3.8Å; A2-R4 PolarHBondContact O-N 3.11Å
3N86.5Confident85.2Confident63 Ų6396 Ų9634%0.33750%0.498SS..  trans-70.552.2166.7-64.7-37.6000110.4Y30 W35N3-Y30 HydrophobicContact CB-CD1 3.91Å; N3-Y30 HydrophobicContact CB-CD2 3.99Å; N3-Y30 HydrophobicContact CB-CE1 3.65Å; N3-Y30 HydrophobicContact CB-CE2 3.72Å; N3-Y30 HydrophobicContact CB-CG 4.08Å; N3-Y30 WeakPolarHBondContact ND2-CB 3.45Å; N3-W35 PolarHBondContact OD1-NE1 3.14Å
4R89.3Confident85.5Confident197 Ų19794.2 Ų94.274%0.74352%0.515SS*.PPolyproline II helixtrans-101.7150.3178.6-71.7178.5-175.7-173.5-0.5107.8A2 Q79A2-R4 HydrophobicContact CB-CB 4.14Å; A2-R4 HydrophobicContact CB-CG 3.8Å; A2-R4 PolarHBondContact O-N 3.11Å; R4-Q79 WeakPolarHBondContact O-CG 3.38Å; R4-Q79 PolarHBondContact O-NE2 3.36Å
5T91.4Very high86.1Confident21 Ų2191.3 Ų91.313%0.12950%0.501CS..PPolyproline II helixtrans-65.8147.6172.4-42.60000108.2A9 N16 Q18 Q79T5-A9 HydrophobicContact CG2-CB 3.42Å; T5-A9 VanDerWaalsContact CG2-CB 3.42Å; T5-N16 PolarHBondContact OG1-ND2 2.92Å; T5-N16 PolarHBondContact OG1-OD1 3.47Å; T5-Q18 PolarHBondContact OG1-NE2 3.1Å; T5-Q79 WeakPolarHBondContact CA-O 3.25Å; T5-Q79 WeakPolarHBondContact CG2-O 3.45Å
6V90.4Very high86.6Confident52 Ų5288.6 Ų88.632%0.31549%0.486SS..PPolyproline II helixtrans-57148.9173.1-61.30000110.3D8 A9 Q79 I80V6-D8 VanDerWaalsContact C-N 3.29Å; V6-D8 VanDerWaalsContact CB-OD1 3.3Å; V6-D8 WeakPolarHBondContact CB-OD1 3.48Å; V6-D8 VanDerWaalsContact CG2-OD1 3.3Å; V6-D8 WeakPolarHBondContact CG2-OD1 3.28Å; V6-D8 PolarHBondContact O-N 3.3Å; V6-A9 HydrophobicContact CG2-CB 3.79Å; V6-A9 WeakPolarHBondContact O-CB 3.31Å; V6-A9 PolarHBondContact O-N 2.99Å; V6-Q79 PolarHBondContact N-O 2.87Å; V6-I80 HydrophobicContact CG1-CB 4.49Å; V6-I80 HydrophobicContact CG1-CG2 4.44Å; V6-I80 WeakPolarHBondContact CG2-O 3.48Å
7K87.3Confident87.2Confident215 Ų21583.6 Ų83.694%0.93546%0.459SS*.THydrogen-bonded Turntrans-70.9-28.6-165.6-68.6-178.2179.9177.30113.2A9K7-A9 VanDerWaalsContact C-N 3.32Å
8D87.9Confident87.6Confident139 Ų13979.2 Ų79.274%0.74343%0.434SS*.THydrogen-bonded Turntrans-83.9-5.7178.354.3-37.7000112.9V6 S10V6-D8 VanDerWaalsContact C-N 3.29Å; V6-D8 VanDerWaalsContact CB-OD1 3.3Å; V6-D8 WeakPolarHBondContact CB-OD1 3.48Å; V6-D8 VanDerWaalsContact CG2-OD1 3.3Å; V6-D8 WeakPolarHBondContact CG2-OD1 3.28Å; V6-D8 PolarHBondContact O-N 3.3Å; D8-S10 PolarHBondContact O-N 3.46Å
9A89.4Confident88.1Confident24 Ų2482.2 Ų82.220%0.19844%0.439CS..PPolyproline II helixtrans-65.6127.3177.600000111.8T5 V6 K7 Q81T5-A9 HydrophobicContact CG2-CB 3.42Å; T5-A9 VanDerWaalsContact CG2-CB 3.42Å; V6-A9 HydrophobicContact CG2-CB 3.79Å; V6-A9 WeakPolarHBondContact O-CB 3.31Å; V6-A9 PolarHBondContact O-N 2.99Å; K7-A9 VanDerWaalsContact C-N 3.32Å; A9-Q81 HydrophobicContact CB-CB 4.12Å
10S92.2Very high88.5Confident72 Ų7279.2 Ų79.250%0.50342%0.423SS..PPolyproline II helixtrans-70.2149.4170.2620000111.6D8 V12 P17 Q81D8-S10 PolarHBondContact O-N 3.46Å; S10-V12 PolarHBondContact O-N 3.18Å; S10-P17 WeakPolarHBondContact O-CG 3.42Å; S10-Q81 PolarHBondContact O-NE2 3Å; S10-Q81 VanDerWaalsContact O-NE2 3.08Å; S10-Q81 PolarHBondContact OG-NE2 2.87Å; S10-Q81 PolarHBondContact OG-OE1 2.81Å; S10-Q81 VanDerWaalsContact OG-OE1 3.1Å
11T92.6Very high88.9Confident103 Ų10375.4 Ų75.463%0.63240%0.403SS*.PPolyproline II helixtrans-67.9133173.156.80000110.4T15T11-T15 CarbonylContact C-O 3.55Å; T11-T15 WeakPolarHBondContact CA-O 3.35Å
12V91.7Very high90.9Very high8 Ų870.5 Ų70.55%0.04838%0.378CS..BIsolated β-bridgetrans-104.4123.7176.3170.50000108.1S10 G14 T15 P17 L20 T110S10-V12 PolarHBondContact O-N 3.18Å; V12-G14 PolarHBondContact O-N 2.81Å; V12-T15 PolarHBondContact N-O 2.9Å; V12-T15 WeakPolarHBondContact O-CG2 3.42Å; V12-T15 PolarHBondContact O-N 3.36Å; V12-T15 VanDerWaalsContact O-N 3.1Å; V12-P17 HydrophobicContact CB-CB 4.25Å; V12-P17 HydrophobicContact CB-CG 4.11Å; V12-P17 HydrophobicContact CG2-CB 4.07Å; V12-P17 HydrophobicContact CG2-CG 3.77Å; V12-L20 HydrophobicContact CG1-CD1 3.88Å; V12-T110 HydrophobicContact CG1-CG2 4.18Å; V12-T110 HydrophobicContact CG2-CG2 4.16Å
13K87.7Confident92.2Very high109 Ų10975.7 Ų75.747%0.47439%0.389SS..THydrogen-bonded Turntrans52.338.1-177.3-47.6-58.3176.6-172.30113.1T15 F111 P180K13-T15 VanDerWaalsContact C-N 3.27Å; K13-T15 PolarHBondContact O-N 3.09Å; K13-F111 PolarHBondContact NZ-O 3.3Å; K13-P180 HydrophobicContact CG-CB 4.14Å; K13-P180 HydrophobicContact CG-CG 4.34Å
14G90.5Very high92.5Very high71 Ų7177.1 Ų77.173%0.73240%0.4SS*.THydrogen-bonded Turntrans75.29177.800000115.2V12V12-G14 PolarHBondContact O-N 2.81Å
15T93.3Very high92.8Very high50 Ų5068 Ų6831%0.30737%0.366SS..BIsolated β-bridgetrans-132.1170.4178-1690000111.5T11 V12 K13 Y19T11-T15 CarbonylContact C-O 3.55Å; T11-T15 WeakPolarHBondContact CA-O 3.35Å; V12-T15 PolarHBondContact N-O 2.9Å; V12-T15 WeakPolarHBondContact O-CG2 3.42Å; V12-T15 PolarHBondContact O-N 3.36Å; V12-T15 VanDerWaalsContact O-N 3.1Å; K13-T15 VanDerWaalsContact C-N 3.27Å; K13-T15 PolarHBondContact O-N 3.09Å; T15-Y19 WeakPolarHBondContact OG1-CD2 3.45Å
16N94.8Very high93Very high49 Ų4968.7 Ų68.726%0.26237%0.366SS..  trans-60.7131.9170.2-177-60.1000109T5 Q18 Y19T5-N16 PolarHBondContact OG1-ND2 2.92Å; T5-N16 PolarHBondContact OG1-OD1 3.47Å; N16-Q18 VanDerWaalsContact C-N 3.27Å; N16-Q18 PolarHBondContact O-N 2.95Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.42Å; N16-Q18 PolarHBondContact OD1-N 3.35Å; N16-Y19 HydrophobicContact CB-CD1 4.16Å; N16-Y19 HydrophobicContact CB-CD2 3.77Å; N16-Y19 HydrophobicContact CB-CE1 4.31Å; N16-Y19 HydrophobicContact CB-CE2 3.93Å; N16-Y19 HydrophobicContact CB-CG 3.9Å; N16-Y19 WeakPolarHBondContact O-CA 3.01Å; N16-Y19 VanDerWaalsContact O-CB 3.24Å; N16-Y19 WeakPolarHBondContact O-CB 3.38Å; N16-Y19 PolarHBondContact O-N 3.07Å
17P96Very high93.3Very high4 Ų469.1 Ų69.13%0.02637%0.372CS..G310 helixtrans-57.1-35.4-175.5-25.432.8000114.3S10 V12 Y19 L20 L78S10-P17 WeakPolarHBondContact O-CG 3.42Å; V12-P17 HydrophobicContact CB-CB 4.25Å; V12-P17 HydrophobicContact CB-CG 4.11Å; V12-P17 HydrophobicContact CG2-CB 4.07Å; V12-P17 HydrophobicContact CG2-CG 3.77Å; P17-Y19 PolarHBondContact O-N 3.31Å; P17-Y19 VanDerWaalsContact O-N 3.11Å; P17-L20 WeakPolarHBondContact O-CB 3.5Å; P17-L20 WeakPolarHBondContact O-CG 3.38Å; P17-L20 PolarHBondContact O-N 2.8Å; P17-L78 HydrophobicContact CB-CB 4.37Å; P17-L78 HydrophobicContact CB-CD2 4.16Å; P17-L78 WeakPolarHBondContact CB-O 3.31Å
18Q95.7Very high93.6Very high4 Ų464.2 Ų64.22%0.01935%0.347CS..G310 helixtrans-62.1-22.4175.6-65.1-171.792.300111.6T5 N16 L20 I21 R26 Y30 L75 L78 Q79T5-Q18 PolarHBondContact OG1-NE2 3.1Å; N16-Q18 VanDerWaalsContact C-N 3.27Å; N16-Q18 PolarHBondContact O-N 2.95Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.42Å; N16-Q18 PolarHBondContact OD1-N 3.35Å; Q18-L20 PolarHBondContact O-N 3.1Å; Q18-I21 PolarHBondContact O-N 3.36Å; Q18-I21 VanDerWaalsContact O-N 3.14Å; Q18-R26 VanDerWaalsContact O-CD 3.32Å; Q18-R26 WeakPolarHBondContact O-CD 3.39Å; Q18-R26 PolarHBondContact O-NH1 2.81Å; Q18-Y30 PolarHBondContact OE1-OH 3Å; Q18-L75 HydrophobicContact CB-CD1 4.01Å; Q18-L75 HydrophobicContact CG-CD1 4.01Å; Q18-L78 HydrophobicContact CG-CB 4.43Å; Q18-Q79 HydrophobicContact CG-CB 4.25Å
19Y96.2Very high94Very high135 Ų13557.6 Ų57.653%0.52931%0.312SS..G310 helixtrans-73.9-6.8-179.5-61.1-3.1000115T15 N16 P17 I21 R26T15-Y19 WeakPolarHBondContact OG1-CD2 3.45Å; N16-Y19 HydrophobicContact CB-CD1 4.16Å; N16-Y19 HydrophobicContact CB-CD2 3.77Å; N16-Y19 HydrophobicContact CB-CE1 4.31Å; N16-Y19 HydrophobicContact CB-CE2 3.93Å; N16-Y19 HydrophobicContact CB-CG 3.9Å; N16-Y19 WeakPolarHBondContact O-CA 3.01Å; N16-Y19 VanDerWaalsContact O-CB 3.24Å; N16-Y19 WeakPolarHBondContact O-CB 3.38Å; N16-Y19 PolarHBondContact O-N 3.07Å; P17-Y19 PolarHBondContact O-N 3.31Å; P17-Y19 VanDerWaalsContact O-N 3.11Å; Y19-I21 PolarHBondContact O-N 3.36Å; Y19-R26 VanDerWaalsContact CA-NH1 3.29Å; Y19-R26 VanDerWaalsContact CD1-NH1 3.26Å; Y19-R26 VanDerWaalsContact CD1-NH2 3.29Å
20L96Very high94.3Very high22 Ų2258.4 Ų58.412%0.11531%0.31CS..G310 helixtrans-64.7-26.2166-61.6-179.7000112.2V12 P17 Q18 L78 L109 I177 P180V12-L20 HydrophobicContact CG1-CD1 3.88Å; P17-L20 WeakPolarHBondContact O-CB 3.5Å; P17-L20 WeakPolarHBondContact O-CG 3.38Å; P17-L20 PolarHBondContact O-N 2.8Å; Q18-L20 PolarHBondContact O-N 3.1Å; L20-L78 HydrophobicContact CB-CD1 4.36Å; L20-L78 HydrophobicContact CD1-CD2 3.98Å; L20-L109 HydrophobicContact CD1-CB 3.95Å; L20-I177 WeakPolarHBondContact O-CG2 3.41Å; L20-P180 HydrophobicContact CD2-CG 3.99Å
21I96.4Very high94.4Very high0 Ų059.4 Ų59.40%031%0.31CS..SBendtrans-94.5129.4172.9-58.5-172.7000109.2Q18 Y19 V25 R26 I29 L71 L75 L78 I177Q18-I21 PolarHBondContact O-N 3.36Å; Q18-I21 VanDerWaalsContact O-N 3.14Å; Y19-I21 PolarHBondContact O-N 3.36Å; I21-V25 HydrophobicContact CG2-CB 3.82Å; I21-V25 HydrophobicContact CG2-CG1 3.63Å; I21-R26 HydrophobicContact CB-CG 3.88Å; I21-R26 HydrophobicContact CG2-CG 3.73Å; I21-R26 PolarHBondContact O-NH1 3.3Å; I21-I29 HydrophobicContact CG2-CD1 4.33Å; I21-L71 HydrophobicContact CD1-CD1 4.28Å; I21-L75 HydrophobicContact CD1-CB 3.76Å; I21-L75 HydrophobicContact CD1-CD1 3.93Å; I21-L75 HydrophobicContact CD1-CG 4.37Å; I21-L78 HydrophobicContact CD1-CD1 3.87Å; I21-L78 HydrophobicContact CG1-CD1 3.85Å; I21-I177 HydrophobicContact CD1-CD1 3.85Å; I21-I177 HydrophobicContact CD1-CG1 4.48Å; I21-I177 HydrophobicContact CG1-CD1 3.75Å; I21-I177 HydrophobicContact CG1-CG1 4Å
22E95.2Very high94.4Very high80 Ų8055.5 Ų55.537%0.37429%0.286SS..  trans-56.8149.1-178.6-69.7178.3-164.500112.9V24 V25 R26 R173E22-V24 VanDerWaalsContact C-N 3.3Å; E22-V24 PolarHBondContact O-N 3.48Å; E22-V25 HydrophobicContact CB-CG2 4.43Å; E22-V25 PolarHBondContact O-N 3.38Å; E22-V25 VanDerWaalsContact O-N 3.15Å; E22-R26 PolarHBondContact O-N 3.31Å; E22-R173 IonicContact OE1-CZ 3.53Å; E22-R173 IonicContact OE1-NH1 2.65Å; E22-R173 PolarHBondContact OE1-NH1 2.98Å; E22-R173 IonicContact OE1-NH2 2.55Å; E22-R173 PolarHBondContact OE1-NH2 3.49Å; E22-R173 IonicContact OE2-NH2 3.6Å
23K95.1Very high94.4Very high171 Ų17163.7 Ų63.774%0.74332%0.317SS*.Hα-helixtrans-55.5-41.9-174.2-175.4-179.1178-176.40113.2R26 S27K23-R26 PolarHBondContact O-N 3.32Å; K23-S27 PolarHBondContact O-N 2.91Å
24V93.8Very high94.7Very high94 Ų9460.8 Ų60.857%0.5730%0.303SS*.Hα-helixtrans-63.9-48.3-179.6177.90000110.3E22 R26 S27 R28E22-V24 VanDerWaalsContact C-N 3.3Å; E22-V24 PolarHBondContact O-N 3.48Å; V24-R26 PolarHBondContact O-N 3.09Å; V24-S27 PolarHBondContact O-N 3.49Å; V24-R28 WeakPolarHBondContact O-CG 3.41Å; V24-R28 PolarHBondContact O-N 2.86Å; V24-R28 VanDerWaalsContact O-N 3.08Å
25V95.1Very high94.9Very high6 Ų658 Ų584%0.03627%0.27CS..Hα-helixtrans-62.5-44.5179.2179.20000110.7I21 E22 S27 R28 I29 V60 L71I21-V25 HydrophobicContact CG2-CB 3.82Å; I21-V25 HydrophobicContact CG2-CG1 3.63Å; E22-V25 HydrophobicContact CB-CG2 4.43Å; E22-V25 PolarHBondContact O-N 3.38Å; E22-V25 VanDerWaalsContact O-N 3.15Å; V25-S27 PolarHBondContact O-N 2.92Å; V25-R28 PolarHBondContact O-N 3.3Å; V25-I29 HydrophobicContact CG1-CD1 3.9Å; V25-I29 HydrophobicContact CG1-CG1 4.46Å; V25-I29 WeakPolarHBondContact O-CG1 3.3Å; V25-I29 PolarHBondContact O-N 3.13Å; V25-V60 HydrophobicContact CG1-CG1 3.92Å; V25-V60 HydrophobicContact CG2-CG1 4.29Å; V25-L71 HydrophobicContact CG1-CD2 3.67Å
26R96.1Very high94.9Very high34 Ų3461.2 Ų61.213%0.12828%0.28CS..Hα-helixtrans-57.7-45.5174.9-71.5-158.6-55.8-101.311.2113.1Q18 Y19 I21 E22 K23 V24 R28 I29 Y30 L75Q18-R26 VanDerWaalsContact O-CD 3.32Å; Q18-R26 WeakPolarHBondContact O-CD 3.39Å; Q18-R26 PolarHBondContact O-NH1 2.81Å; Y19-R26 VanDerWaalsContact CA-NH1 3.29Å; Y19-R26 VanDerWaalsContact CD1-NH1 3.26Å; Y19-R26 VanDerWaalsContact CD1-NH2 3.29Å; I21-R26 HydrophobicContact CB-CG 3.88Å; I21-R26 HydrophobicContact CG2-CG 3.73Å; I21-R26 PolarHBondContact O-NH1 3.3Å; E22-R26 PolarHBondContact O-N 3.31Å; K23-R26 PolarHBondContact O-N 3.32Å; V24-R26 PolarHBondContact O-N 3.09Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.41Å; R26-I29 PolarHBondContact O-N 3.21Å; R26-Y30 HydrophobicContact CB-CE2 4.17Å; R26-Y30 WeakPolarHBondContact O-CD2 3.4Å; R26-Y30 VanDerWaalsContact O-CG 3.24Å; R26-Y30 PolarHBondContact O-N 2.89Å; R26-L75 HydrophobicContact CG-CD1 4.19Å; R26-L75 HydrophobicContact CG-CD2 4.28Å
27S95.6Very high94.8Very high61 Ų6163.8 Ų63.843%0.42729%0.29SS..Hα-helixtrans-58.4-45.3177.6-163.30000110.6K23 V24 V25 I29 Y30 D31K23-S27 PolarHBondContact O-N 2.91Å; V24-S27 PolarHBondContact O-N 3.49Å; V25-S27 PolarHBondContact O-N 2.92Å; S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 3.37Å; S27-Y30 PolarHBondContact O-N 2.92Å; S27-D31 WeakPolarHBondContact O-CB 3.48Å; S27-D31 PolarHBondContact O-N 2.92Å
28R95Very high94.6Very high113 Ų11366.4 Ų66.443%0.42630%0.302SS..Hα-helixtrans-63.2-36.9177-65.9-64.2-170.8-167.84.4112.8V24 V25 R26 S32 N64 V65V24-R28 WeakPolarHBondContact O-CG 3.41Å; V24-R28 PolarHBondContact O-N 2.86Å; V24-R28 VanDerWaalsContact O-N 3.08Å; V25-R28 PolarHBondContact O-N 3.3Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.41Å; R28-S32 WeakPolarHBondContact O-CB 3.38Å; R28-S32 PolarHBondContact O-N 2.9Å; R28-N64 PolarHBondContact NE-O 2.98Å; R28-V65 WeakPolarHBondContact CB-O 3.43Å; R28-V65 HydrophobicContact CG-CB 4.15Å; R28-V65 HydrophobicContact CG-CG1 4.23Å
29I96Very high94.4Very high0 Ų066.2 Ų66.20%030%0.302CS..Hα-helixtrans-62.4-52.2172.9-66.9163.4000110.4I21 V25 R26 S27 D31 S32 W35 P67 L71 C72 L75I21-I29 HydrophobicContact CG2-CD1 4.33Å; V25-I29 HydrophobicContact CG1-CD1 3.9Å; V25-I29 HydrophobicContact CG1-CG1 4.46Å; V25-I29 WeakPolarHBondContact O-CG1 3.3Å; V25-I29 PolarHBondContact O-N 3.13Å; R26-I29 PolarHBondContact O-N 3.21Å; S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 3.37Å; I29-D31 PolarHBondContact O-N 2.67Å; I29-S32 VanDerWaalsContact O-CB 3.29Å; I29-S32 WeakPolarHBondContact O-CB 3.26Å; I29-S32 PolarHBondContact O-N 3.33Å; I29-S32 PolarHBondContact O-OG 3.38Å; I29-W35 HydrophobicContact CG2-CB 4.24Å; I29-W35 HydrophobicContact CG2-CD2 3.79Å; I29-W35 HydrophobicContact CG2-CE3 3.37Å; I29-W35 HydrophobicContact CG2-CG 4.17Å; I29-W35 HydrophobicContact CG2-CZ3 3.97Å; I29-W35 WeakPolarHBondContact O-CB 3.43Å; I29-P67 HydrophobicContact CB-CG 4.41Å; I29-P67 HydrophobicContact CD1-CB 4.45Å; I29-P67 HydrophobicContact CG1-CB 3.49Å; I29-P67 VanDerWaalsContact CG1-CB 3.49Å; I29-P67 HydrophobicContact CG1-CG 3.82Å; I29-L71 HydrophobicContact CD1-CD2 4.22Å; I29-L71 HydrophobicContact CD1-CG 3.96Å; I29-C72 HydrophobicContact CG2-CB 4.26Å; I29-L75 HydrophobicContact CB-CD2 3.8Å; I29-L75 HydrophobicContact CD1-CB 4.05Å; I29-L75 HydrophobicContact CD1-CD2 3.77Å; I29-L75 HydrophobicContact CG1-CD2 4.39Å; I29-L75 HydrophobicContact CG2-CB 4.34Å; I29-L75 HydrophobicContact CG2-CD2 3.49Å; I29-L75 VanDerWaalsContact CG2-CD2 3.49Å; I29-L75 HydrophobicContact CG2-CG 4.49Å
30Y95.5Very high94Very high41 Ų4165.4 Ų65.416%0.16130%0.301CS..Hα-helixtrans-60.5-32.3-179.4-61.1-26000113.8N3 Q18 R26 S27 W35 K36 L75N3-Y30 HydrophobicContact CB-CD1 3.91Å; N3-Y30 HydrophobicContact CB-CD2 3.99Å; N3-Y30 HydrophobicContact CB-CE1 3.65Å; N3-Y30 HydrophobicContact CB-CE2 3.72Å; N3-Y30 HydrophobicContact CB-CG 4.08Å; N3-Y30 WeakPolarHBondContact ND2-CB 3.45Å; Q18-Y30 PolarHBondContact OE1-OH 3Å; R26-Y30 HydrophobicContact CB-CE2 4.17Å; R26-Y30 WeakPolarHBondContact O-CD2 3.4Å; R26-Y30 VanDerWaalsContact O-CG 3.24Å; R26-Y30 PolarHBondContact O-N 2.89Å; S27-Y30 PolarHBondContact O-N 2.92Å; Y30-W35 HydrophobicContact CD1-CD2 4.24Å; Y30-W35 AromaticContact CD1-CE2 3.64Å; Y30-W35 AromaticContact CD1-CZ2 3.87Å; Y30-W35 HydrophobicContact CD1-CZ2 3.87Å; Y30-W35 AromaticContact CD1-NE1 3.61Å; Y30-W35 HydrophobicContact CE1-CH2 4.25Å; Y30-W35 AromaticContact CE1-CZ2 3.72Å; Y30-W35 HydrophobicContact CE1-CZ2 3.72Å; Y30-K36 VanDerWaalsContact O-CE 3.24Å; Y30-K36 WeakPolarHBondContact O-CE 3.37Å; Y30-L75 HydrophobicContact CD1-CD2 4.04Å; Y30-L75 HydrophobicContact CE1-CD2 3.38Å; Y30-L75 HydrophobicContact CE1-CG 4.33Å
31D93.8Very high93.5Very high93 Ų9368.1 Ų68.150%0.49733%0.327SS..Hα-helixtrans-81.3-18.6177.6-69.8-34.8000113.4S27 I29 K36S27-D31 WeakPolarHBondContact O-CB 3.48Å; S27-D31 PolarHBondContact O-N 2.92Å; I29-D31 PolarHBondContact O-N 2.67Å; D31-K36 WeakPolarHBondContact O-CE 3.11Å; D31-K36 PolarHBondContact O-NZ 2.97Å
32S93Very high93.3Very high20 Ų2068.7 Ų68.714%0.1433%0.33CS..SBendtrans-65.2149.1-176.977.60000112.6R28 I29 W35 K36R28-S32 WeakPolarHBondContact O-CB 3.38Å; R28-S32 PolarHBondContact O-N 2.9Å; I29-S32 VanDerWaalsContact O-CB 3.29Å; I29-S32 WeakPolarHBondContact O-CB 3.26Å; I29-S32 PolarHBondContact O-N 3.33Å; I29-S32 PolarHBondContact O-OG 3.38Å; S32-W35 PolarHBondContact O-N 2.94Å; S32-W35 WeakPolarHBondContact OG-CB 3.07Å; S32-W35 PolarHBondContact OG-N 3.39Å; S32-K36 WeakPolarHBondContact O-CG 3.33Å; S32-K36 PolarHBondContact O-N 2.91Å
33R92.3Very high93Very high181 Ų18166.9 Ų66.968%0.68333%0.326SS*.Hα-helixtrans-60.7-46.7176.7-174.1178.6170.2-147.5-19.6111.6W35 K36 E37R33-W35 VanDerWaalsContact C-N 3.32Å; R33-W35 PolarHBondContact O-N 2.87Å; R33-K36 PolarHBondContact O-N 3.14Å; R33-K36 VanDerWaalsContact O-N 3.16Å; R33-E37 VanDerWaalsContact CG-CD 3.48Å; R33-E37 HydrophobicContact CG-CG 4.27Å; R33-E37 WeakPolarHBondContact CG-OE1 3.44Å; R33-E37 IonicContact CZ-OE1 2.82Å; R33-E37 IonicContact CZ-OE2 2.92Å; R33-E37 VanDerWaalsContact CZ-OE2 3.31Å; R33-E37 IonicContact NE-OE1 2.71Å; R33-E37 PolarHBondContact NE-OE1 2.85Å; R33-E37 IonicContact NE-OE2 3.7Å; R33-E37 PolarHBondContact NE-OE2 2.65Å; R33-E37 IonicContact NH2-OE1 2.7Å; R33-E37 IonicContact NH2-OE2 3.71Å; R33-E37 PolarHBondContact NH2-OE2 2.75Å; R33-E37 WeakPolarHBondContact O-CB 3.3Å; R33-E37 PolarHBondContact O-N 3.26Å
34Y93.4Very high92.7Very high48 Ų4859.6 Ų59.619%0.18830%0.297CS..Hα-helixtrans-58.1-42.5-179.8-171.5-91.2000111.9K36 E38 C39 P69 C72 L73Y34-K36 PolarHBondContact O-N 3.42Å; Y34-E38 HydrophobicContact CD1-CB 4.34Å; Y34-E38 HydrophobicContact CD2-CB 4.11Å; Y34-E38 HydrophobicContact CD2-CG 3.71Å; Y34-E38 HydrophobicContact CE1-CB 4.17Å; Y34-E38 HydrophobicContact CE2-CB 3.91Å; Y34-E38 HydrophobicContact CE2-CG 3.7Å; Y34-E38 HydrophobicContact CG-CB 4.32Å; Y34-E38 HydrophobicContact CG-CG 4.27Å; Y34-E38 WeakPolarHBondContact O-CA 3.15Å; Y34-E38 VanDerWaalsContact O-CB 3.29Å; Y34-E38 WeakPolarHBondContact O-CB 3.25Å; Y34-E38 PolarHBondContact O-N 2.63Å; Y34-C39 PolarHBondContact O-N 3.27Å; Y34-P69 HydrophobicContact CD1-CB 4.26Å; Y34-P69 HydrophobicContact CD2-CB 4.07Å; Y34-P69 HydrophobicContact CD2-CG 4.22Å; Y34-P69 HydrophobicContact CE1-CB 4.01Å; Y34-P69 HydrophobicContact CE2-CB 3.83Å; Y34-P69 HydrophobicContact CE2-CG 4.35Å; Y34-P69 HydrophobicContact CG-CB 4.29Å; Y34-C72 HydrophobicContact CD1-CB 3.6Å; Y34-C72 HydrophobicContact CE1-CB 4.01Å; Y34-L73 HydrophobicContact CE1-CD2 4.07Å; Y34-L73 HydrophobicContact CE1-CG 4.11Å
35W95.1Very high92.3Very high11 Ų1161.5 Ų61.54%0.04230%0.3CS..Hα-helixtrans-64.9-41177.6-177.5-92.8000113.3N3 I29 Y30 S32 R33 C39 F40 C72 L75 K76N3-W35 PolarHBondContact OD1-NE1 3.14Å; I29-W35 HydrophobicContact CG2-CB 4.24Å; I29-W35 HydrophobicContact CG2-CD2 3.79Å; I29-W35 HydrophobicContact CG2-CE3 3.37Å; I29-W35 HydrophobicContact CG2-CG 4.17Å; I29-W35 HydrophobicContact CG2-CZ3 3.97Å; I29-W35 WeakPolarHBondContact O-CB 3.43Å; Y30-W35 HydrophobicContact CD1-CD2 4.24Å; Y30-W35 AromaticContact CD1-CE2 3.64Å; Y30-W35 AromaticContact CD1-CZ2 3.87Å; Y30-W35 HydrophobicContact CD1-CZ2 3.87Å; Y30-W35 AromaticContact CD1-NE1 3.61Å; Y30-W35 HydrophobicContact CE1-CH2 4.25Å; Y30-W35 AromaticContact CE1-CZ2 3.72Å; Y30-W35 HydrophobicContact CE1-CZ2 3.72Å; S32-W35 PolarHBondContact O-N 2.94Å; S32-W35 WeakPolarHBondContact OG-CB 3.07Å; S32-W35 PolarHBondContact OG-N 3.39Å; R33-W35 VanDerWaalsContact C-N 3.32Å; R33-W35 PolarHBondContact O-N 2.87Å; W35-C39 HydrophobicContact CD2-CB 3.85Å; W35-C39 HydrophobicContact CE3-CB 3.65Å; W35-C39 HydrophobicContact CG-CB 4.26Å; W35-C39 HydrophobicContact CZ3-CB 4.15Å; W35-C39 CarbonylContact O-C 3.5Å; W35-C39 WeakPolarHBondContact O-CB 3.01Å; W35-C39 PolarHBondContact O-N 3Å; W35-F40 PolarHBondContact O-N 3.39Å; W35-C72 HydrophobicContact CE3-CB 4.41Å; W35-C72 WeakPolarHBondContact CZ3-O 3.34Å; W35-L75 HydrophobicContact CH2-CB 4.36Å; W35-L75 HydrophobicContact CH2-CD2 4.11Å; W35-L75 HydrophobicContact CH2-CG 3.92Å; W35-L75 HydrophobicContact CZ3-CB 3.92Å; W35-L75 HydrophobicContact CZ3-CD2 4.08Å; W35-L75 HydrophobicContact CZ3-CG 3.95Å; W35-K76 HydrophobicContact CH2-CB 4.21Å; W35-K76 HydrophobicContact CZ3-CB 3.86Å
36K93.7Very high92.1Very high119 Ų11965.5 Ų65.552%0.51732%0.321SS..Hα-helixtrans-73.5-32.9-177-70.6171.8177.9162.30112.9Y30 D31 S32 R33 Y34 F40Y30-K36 VanDerWaalsContact O-CE 3.24Å; Y30-K36 WeakPolarHBondContact O-CE 3.37Å; D31-K36 WeakPolarHBondContact O-CE 3.11Å; D31-K36 PolarHBondContact O-NZ 2.97Å; S32-K36 WeakPolarHBondContact O-CG 3.33Å; S32-K36 PolarHBondContact O-N 2.91Å; R33-K36 PolarHBondContact O-N 3.14Å; R33-K36 VanDerWaalsContact O-N 3.16Å; Y34-K36 PolarHBondContact O-N 3.42Å; K36-F40 WeakPolarHBondContact O-CB 3.11Å
37E92.6Very high92Very high102 Ų10263.9 Ų63.948%0.47732%0.315SS..Hα-helixtrans-93.2-50.8-177.7-68.6176.6-164.400111.6R33R33-E37 VanDerWaalsContact CG-CD 3.48Å; R33-E37 HydrophobicContact CG-CG 4.27Å; R33-E37 WeakPolarHBondContact CG-OE1 3.44Å; R33-E37 IonicContact CZ-OE1 2.82Å; R33-E37 IonicContact CZ-OE2 2.92Å; R33-E37 VanDerWaalsContact CZ-OE2 3.31Å; R33-E37 IonicContact NE-OE1 2.71Å; R33-E37 PolarHBondContact NE-OE1 2.85Å; R33-E37 IonicContact NE-OE2 3.7Å; R33-E37 PolarHBondContact NE-OE2 2.65Å; R33-E37 IonicContact NH2-OE1 2.7Å; R33-E37 IonicContact NH2-OE2 3.71Å; R33-E37 PolarHBondContact NH2-OE2 2.75Å; R33-E37 WeakPolarHBondContact O-CB 3.3Å; R33-E37 PolarHBondContact O-N 3.26Å
38E91.6Very high91.8Very high59 Ų5962.7 Ų62.728%0.27631%0.305SS..THydrogen-bonded Turntrans-98-33.2-168.2-54-61.3153.500113.2Y34 F40 K50Y34-E38 HydrophobicContact CD1-CB 4.34Å; Y34-E38 HydrophobicContact CD2-CB 4.11Å; Y34-E38 HydrophobicContact CD2-CG 3.71Å; Y34-E38 HydrophobicContact CE1-CB 4.17Å; Y34-E38 HydrophobicContact CE2-CB 3.91Å; Y34-E38 HydrophobicContact CE2-CG 3.7Å; Y34-E38 HydrophobicContact CG-CB 4.32Å; Y34-E38 HydrophobicContact CG-CG 4.27Å; Y34-E38 WeakPolarHBondContact O-CA 3.15Å; Y34-E38 VanDerWaalsContact O-CB 3.29Å; Y34-E38 WeakPolarHBondContact O-CB 3.25Å; Y34-E38 PolarHBondContact O-N 2.63Å; E38-F40 VanDerWaalsContact C-N 3.28Å; E38-K50 HydrophobicContact CB-CD 4.42Å; E38-K50 WeakPolarHBondContact OE2-CE 3.38Å; E38-K50 IonicContact OE2-NZ 3.83Å; E38-K50 PolarHBondContact OE2-NZ 3.44Å
39C91.5Very high91.7Very high1 Ų161.2 Ų61.21%0.00731%0.305CS..SBendtrans-88.45.4176.8-60.60000112.6Y34 W35 A41 K76Y34-C39 PolarHBondContact O-N 3.27Å; W35-C39 HydrophobicContact CD2-CB 3.85Å; W35-C39 HydrophobicContact CE3-CB 3.65Å; W35-C39 HydrophobicContact CG-CB 4.26Å; W35-C39 HydrophobicContact CZ3-CB 4.15Å; W35-C39 CarbonylContact O-C 3.5Å; W35-C39 WeakPolarHBondContact O-CB 3.01Å; W35-C39 PolarHBondContact O-N 3Å; C39-A41 PolarHBondContact O-N 3.26Å; C39-K76 WeakPolarHBondContact O-CE 3.4Å; C39-K76 PolarHBondContact O-NZ 3.13Å
40F88Confident91.5Very high117 Ų11763 Ų6351%0.51331%0.313SS..THydrogen-bonded Turntrans-73.2125.8177.4-176.3-94.5000110.6M1 W35 K36 E38 L42M1-F40 HydrophobicContact CE-CD2 4.35Å; M1-F40 HydrophobicContact CE-CE1 4.21Å; M1-F40 HydrophobicContact CE-CE2 3.33Å; M1-F40 HydrophobicContact CE-CZ 3.24Å; M1-F40 HydrophobicContact CG-CE2 4.22Å; M1-F40 HydrophobicContact SD-CD2 4.5Å; M1-F40 HydrophobicContact SD-CE2 3.41Å; M1-F40 WeakPolarHBondContact SD-CE2 3.36Å; M1-F40 HydrophobicContact SD-CZ 3.81Å; W35-F40 PolarHBondContact O-N 3.39Å; K36-F40 WeakPolarHBondContact O-CB 3.11Å; E38-F40 VanDerWaalsContact C-N 3.28Å; F40-L42 PolarHBondContact O-N 3.23Å
41A85.4Confident91.4Very high79 Ų7961 Ų6165%0.65331%0.305SS*.THydrogen-bonded Turntrans53.218.9-178.700000115.5C39 S43C39-A41 PolarHBondContact O-N 3.26Å; A41-S43 PolarHBondContact O-N 3.43Å
42L90.7Very high91.3Very high13 Ų1361.3 Ų61.37%0.06831%0.305CS..  trans-66.9117.3178.9-163.667.2000110.3F40 L46 L47 K50 L73 K76F40-L42 PolarHBondContact O-N 3.23Å; L42-L46 HydrophobicContact CD1-CB 3.67Å; L42-L47 HydrophobicContact CD2-CD1 3.62Å; L42-L47 HydrophobicContact CG-CD1 4.4Å; L42-K50 HydrophobicContact CD1-CG 3.84Å; L42-K50 HydrophobicContact CD2-CB 4.27Å; L42-K50 HydrophobicContact CD2-CG 4.05Å; L42-L73 HydrophobicContact CD2-CD2 3.92Å; L42-K76 HydrophobicContact CB-CD 4.28Å; L42-K76 HydrophobicContact CB-CG 4.38Å; L42-K76 HydrophobicContact CD2-CG 4.1Å
43S89.8Confident91.3Very high41 Ų4165.3 Ų65.329%0.28732%0.322SS..  trans-87176.417473.20000111.3A41 E45 L47A41-S43 PolarHBondContact O-N 3.43Å; S43-E45 VanDerWaalsContact C-N 3.3Å; S43-E45 WeakPolarHBondContact CB-OE2 3.11Å; S43-E45 PolarHBondContact O-N 3.47Å; S43-E45 PolarHBondContact OG-OE2 2.96Å; S43-L47 PolarHBondContact O-N 3.26Å
44A87.8Confident91.4Very high18 Ų1857.1 Ų57.115%0.14929%0.291CS..THydrogen-bonded Turntrans-66.4-34-18000000112.1L47 I80 P82 I86A44-L47 VanDerWaalsContact O-CB 3.29Å; A44-L47 WeakPolarHBondContact O-CB 3.22Å; A44-I80 HydrophobicContact CB-CD1 4.33Å; A44-P82 HydrophobicContact CB-CB 3.98Å; A44-I86 HydrophobicContact CB-CD1 3.77Å
45E87.2Confident91.3Very high134 Ų13463.6 Ų63.663%0.62632%0.315SS*.THydrogen-bonded Turntrans-71.4-47.2-179.6-52.283.3173.600111.1S43 L47 V48S43-E45 VanDerWaalsContact C-N 3.3Å; S43-E45 WeakPolarHBondContact CB-OE2 3.11Å; S43-E45 PolarHBondContact O-N 3.47Å; S43-E45 PolarHBondContact OG-OE2 2.96Å; E45-L47 PolarHBondContact O-N 3.44Å; E45-V48 VanDerWaalsContact O-CG1 3.24Å; E45-V48 WeakPolarHBondContact O-CG1 3.42Å; E45-V48 PolarHBondContact O-N 2.55Å
46L90.8Very high91.1Very high90 Ų9064.6 Ų64.647%0.47132%0.32SS..THydrogen-bonded Turntrans-72.8-12.6-179.4-62.7177.7000113.1L42 V48 D49L42-L46 HydrophobicContact CD1-CB 3.67Å; L46-V48 PolarHBondContact O-N 2.64Å; L46-D49 PolarHBondContact O-N 3.23Å
47L93.2Very high91.1Very high0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-61.6-31.6177.1-171.475.7000111.7L42 S43 A44 E45 D49 K50 G51 L73 K76 M77 F90L42-L47 HydrophobicContact CD2-CD1 3.62Å; L42-L47 HydrophobicContact CG-CD1 4.4Å; S43-L47 PolarHBondContact O-N 3.26Å; A44-L47 VanDerWaalsContact O-CB 3.29Å; A44-L47 WeakPolarHBondContact O-CB 3.22Å; E45-L47 PolarHBondContact O-N 3.44Å; L47-D49 VanDerWaalsContact C-N 3.34Å; L47-D49 PolarHBondContact O-N 3.36Å; L47-K50 PolarHBondContact O-N 2.91Å; L47-G51 PolarHBondContact O-N 3.34Å; L47-L73 HydrophobicContact CD1-CD2 4.07Å; L47-K76 HydrophobicContact CD1-CG 4.14Å; L47-M77 HydrophobicContact CD1-CG 4.28Å; L47-M77 HydrophobicContact CD2-CE 4.09Å; L47-M77 HydrophobicContact CD2-CG 3.36Å; L47-M77 HydrophobicContact CD2-SD 3.88Å; L47-M77 HydrophobicContact CG-CG 4.42Å; L47-F90 HydrophobicContact CB-CZ 4.15Å; L47-F90 HydrophobicContact CD2-CE2 3.45Å; L47-F90 VanDerWaalsContact CD2-CE2 3.45Å; L47-F90 HydrophobicContact CD2-CZ 3.79Å; L47-F90 HydrophobicContact CG-CE2 3.99Å; L47-F90 HydrophobicContact CG-CZ 4.08Å
48V91.8Very high91Very high36 Ų3654.1 Ų54.122%0.21827%0.273CS..Hα-helixtrans-60.8-43.6179.473.80000111.3E45 L46 K50 G51 M52 F90 I99E45-V48 VanDerWaalsContact O-CG1 3.24Å; E45-V48 WeakPolarHBondContact O-CG1 3.42Å; E45-V48 PolarHBondContact O-N 2.55Å; L46-V48 PolarHBondContact O-N 2.64Å; V48-K50 PolarHBondContact O-N 3.09Å; V48-G51 CarbonylContact O-C 3.59Å; V48-G51 WeakPolarHBondContact O-CA 3.3Å; V48-G51 PolarHBondContact O-N 3.28Å; V48-G51 VanDerWaalsContact O-N 3.14Å; V48-M52 HydrophobicContact CG2-CE 4.21Å; V48-M52 WeakPolarHBondContact O-CG 3.32Å; V48-M52 PolarHBondContact O-N 3.5Å; V48-F90 HydrophobicContact CB-CE1 3.99Å; V48-F90 HydrophobicContact CB-CZ 4.29Å; V48-F90 HydrophobicContact CG2-CE1 4.13Å; V48-I99 HydrophobicContact CG2-CD1 3.89Å; V48-I99 WeakPolarHBondContact O-CD1 3.3Å
49D92Very high91.1Very high82 Ų8251.4 Ų51.444%0.43926%0.261SS..Hα-helixtrans-62.8-46-178.8-61.7-40.8000110.5L46 L47 G51 M52 E53L46-D49 PolarHBondContact O-N 3.23Å; L47-D49 VanDerWaalsContact C-N 3.34Å; L47-D49 PolarHBondContact O-N 3.36Å; D49-G51 VanDerWaalsContact C-N 3.3Å; D49-G51 PolarHBondContact O-N 3.34Å; D49-M52 WeakPolarHBondContact O-CB 3.46Å; D49-M52 PolarHBondContact O-N 2.89Å; D49-M52 VanDerWaalsContact O-N 3.12Å; D49-E53 PolarHBondContact O-N 3.46Å
50K93.3Very high91Very high38 Ų3852.2 Ų52.217%0.16527%0.266CS..Hα-helixtrans-67.1-32.7176-62.4-59.3167.9-166.10112.9E38 L42 L47 V48 E53 L73E38-K50 HydrophobicContact CB-CD 4.42Å; E38-K50 WeakPolarHBondContact OE2-CE 3.38Å; E38-K50 IonicContact OE2-NZ 3.83Å; E38-K50 PolarHBondContact OE2-NZ 3.44Å; L42-K50 HydrophobicContact CD1-CG 3.84Å; L42-K50 HydrophobicContact CD2-CB 4.27Å; L42-K50 HydrophobicContact CD2-CG 4.05Å; L47-K50 PolarHBondContact O-N 2.91Å; V48-K50 PolarHBondContact O-N 3.09Å; K50-E53 IonicContact NZ-OE1 3.31Å; K50-E53 PolarHBondContact NZ-OE1 3.43Å; K50-E53 IonicContact NZ-OE2 3.6Å; K50-E53 PolarHBondContact O-N 3.29Å; K50-L73 HydrophobicContact CB-CD1 4.18Å; K50-L73 HydrophobicContact CB-CD2 4.03Å
51G92Very high91Very high0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-65-36.8170.900000112.9L47 V48 D49 E53 L54 I99L47-G51 PolarHBondContact O-N 3.34Å; V48-G51 CarbonylContact O-C 3.59Å; V48-G51 WeakPolarHBondContact O-CA 3.3Å; V48-G51 PolarHBondContact O-N 3.28Å; V48-G51 VanDerWaalsContact O-N 3.14Å; D49-G51 VanDerWaalsContact C-N 3.3Å; D49-G51 PolarHBondContact O-N 3.34Å; G51-E53 VanDerWaalsContact C-N 3.31Å; G51-E53 PolarHBondContact O-N 2.99Å; G51-L54 WeakPolarHBondContact O-CB 3.3Å; G51-L54 PolarHBondContact O-N 3.06Å; G51-I99 WeakPolarHBondContact O-CG1 3.28Å
52M92.7Very high90.7Very high98 Ų9845.3 Ų45.348%0.48323%0.228SC..Hα-helixtrans-68.5-32.1177.8-70.6-163-179.500111.9V48 D49 L54 I99V48-M52 HydrophobicContact CG2-CE 4.21Å; V48-M52 WeakPolarHBondContact O-CG 3.32Å; V48-M52 PolarHBondContact O-N 3.5Å; D49-M52 WeakPolarHBondContact O-CB 3.46Å; D49-M52 PolarHBondContact O-N 2.89Å; D49-M52 VanDerWaalsContact O-N 3.12Å; M52-L54 PolarHBondContact O-N 3.3Å; M52-I99 HydrophobicContact CB-CD1 4.24Å; M52-I99 HydrophobicContact CE-CD1 4.44Å; M52-I99 HydrophobicContact CG-CD1 3.38Å
53E92.8Very high89.9Confident105 Ų10548.7 Ų48.749%0.49127%0.266SS..THydrogen-bonded Turntrans-71.2-14.1177-67.7175.3-15200113.5D49 K50 G51 R55D49-E53 PolarHBondContact O-N 3.46Å; K50-E53 IonicContact NZ-OE1 3.31Å; K50-E53 PolarHBondContact NZ-OE1 3.43Å; K50-E53 IonicContact NZ-OE2 3.6Å; K50-E53 PolarHBondContact O-N 3.29Å; G51-E53 VanDerWaalsContact C-N 3.31Å; G51-E53 PolarHBondContact O-N 2.99Å; E53-R55 PolarHBondContact O-N 3.16Å
54L93.8Very high89.5Confident9 Ų951.9 Ų51.95%0.04728%0.28CS..  trans-61.2132.4179.6-71.9175.3000111.6G51 M52 P69 F70 L73 Y98 L102G51-L54 WeakPolarHBondContact O-CB 3.3Å; G51-L54 PolarHBondContact O-N 3.06Å; M52-L54 PolarHBondContact O-N 3.3Å; L54-P69 HydrophobicContact CD2-CB 3.86Å; L54-F70 HydrophobicContact CD1-CD2 4Å; L54-F70 HydrophobicContact CD2-CB 4.34Å; L54-L73 HydrophobicContact CD1-CD1 3.94Å; L54-L73 HydrophobicContact CD2-CD1 3.95Å; L54-L73 HydrophobicContact CG-CD1 3.93Å; L54-Y98 HydrophobicContact CB-CG 4.17Å; L54-Y98 WeakPolarHBondContact O-CD2 3.36Å; L54-L102 HydrophobicContact CD1-CD1 4.32Å; L54-L102 HydrophobicContact CD1-CD2 4.46Å
55R90.7Very high89.5Confident183 Ų18353 Ų5369%0.69129%0.285SS*.  trans-110.4-13.4-179.2-62.1-175.7-177.7-174.1-0.4113.9E53 Y98 R131E53-R55 PolarHBondContact O-N 3.16Å; R55-Y98 VanDerWaalsContact C-CZ 3.46Å; R55-Y98 PolarHBondContact O-OH 2.74Å; R55-R131 PolarHBondContact O-NE 2.83Å; R55-R131 PolarHBondContact O-NH2 3.17Å
56F92Very high89.6Confident33 Ų3350.1 Ų50.115%0.14527%0.27CS..  trans-159.1162.3-176.156.9-92.6000110.3P69 R131 M133 F156F56-P69 HydrophobicContact CZ-CG 4.17Å; F56-R131 CarbonylContact C-O 3.59Å; F56-R131 VanDerWaalsContact CA-O 3.24Å; F56-R131 WeakPolarHBondContact CA-O 3.48Å; F56-R131 HydrophobicContact CB-CB 3.92Å; F56-R131 WeakPolarHBondContact CB-O 3.29Å; F56-M133 HydrophobicContact CD2-CB 3.97Å; F56-M133 HydrophobicContact CD2-SD 4.21Å; F56-M133 HydrophobicContact CE2-CB 4.39Å; F56-M133 HydrophobicContact CE2-SD 3.68Å; F56-F156 HydrophobicContact CB-CD1 4Å; F56-F156 HydrophobicContact CB-CE1 3.66Å; F56-F156 AromaticContact CD1-CE1 3.59Å; F56-F156 HydrophobicContact CD1-CE1 3.59Å; F56-F156 AromaticContact CD1-CZ 3.84Å; F56-F156 HydrophobicContact CD1-CZ 3.84Å; F56-F156 AromaticContact CD2-CE1 3.96Å; F56-F156 HydrophobicContact CD2-CE1 3.96Å; F56-F156 HydrophobicContact CE1-CE1 4.18Å; F56-F156 HydrophobicContact CE1-CZ 4.15Å; F56-F156 HydrophobicContact CE2-CE1 4.47Å; F56-F156 HydrophobicContact CG-CD1 4.29Å; F56-F156 AromaticContact CG-CE1 3.47Å; F56-F156 HydrophobicContact CG-CE1 3.47Å; F56-F156 VanDerWaalsContact CG-CE1 3.47Å; F56-F156 HydrophobicContact CG-CZ 4.21Å
57V93.5Very high89.7Confident0 Ų046.7 Ų46.70%025%0.254CS..BIsolated β-bridgetrans-113.8143.8175.3-174.20000108.8F70 Y98 A101 R131 W132 M133 F164V57-F70 HydrophobicContact CB-CD2 4.33Å; V57-F70 HydrophobicContact CB-CE2 4.46Å; V57-F70 HydrophobicContact CB-CG 4.48Å; V57-F70 HydrophobicContact CG1-CD1 3.79Å; V57-F70 HydrophobicContact CG1-CD2 3.9Å; V57-F70 HydrophobicContact CG1-CE1 3.63Å; V57-F70 HydrophobicContact CG1-CE2 3.75Å; V57-F70 HydrophobicContact CG1-CG 3.93Å; V57-F70 HydrophobicContact CG1-CZ 3.62Å; V57-F70 HydrophobicContact CG2-CD2 4.13Å; V57-F70 HydrophobicContact CG2-CE2 4.13Å; V57-Y98 HydrophobicContact CG2-CD1 3.69Å; V57-Y98 HydrophobicContact CG2-CE1 4.12Å; V57-A101 HydrophobicContact CG2-CB 4.02Å; V57-R131 PolarHBondContact N-O 2.94Å; V57-W132 HydrophobicContact CB-CE3 4.4Å; V57-W132 HydrophobicContact CG1-CE3 4.39Å; V57-W132 HydrophobicContact CG1-CZ3 4.19Å; V57-W132 CarbonylContact O-C 3.55Å; V57-W132 WeakPolarHBondContact O-CA 3.21Å; V57-M133 PolarHBondContact O-N 3.3Å; V57-F164 HydrophobicContact CB-CE2 4.48Å; V57-F164 HydrophobicContact CG1-CD2 4.13Å; V57-F164 HydrophobicContact CG1-CE2 3.39Å; V57-F164 HydrophobicContact CG1-CZ 4.08Å
58G91Very high89.7Confident0 Ų046.7 Ų46.70%025%0.254CS..  trans167.6174.4172.800000113.1S68G58-S68 PolarHBondContact O-OG 3.12Å
59G92.1Very high89.9Confident3 Ų346.6 Ų46.63%0.03125%0.254CS..SBendtrans-90.9-116.5179.400000112.6S68 M133 C175 D176G59-S68 WeakPolarHBondContact O-CB 3.43Å; G59-S68 PolarHBondContact O-N 2.77Å; G59-S68 PolarHBondContact O-OG 3.22Å; G59-M133 VanDerWaalsContact O-CE 3.27Å; G59-M133 WeakPolarHBondContact O-CE 3.3Å; G59-C175 WeakPolarHBondContact CA-O 3.45Å; G59-D176 WeakPolarHBondContact CA-OD2 3.39Å
60V91.3Very high90.1Very high18 Ų1842.7 Ų42.711%0.10923%0.233CC..EExtended strand (participates in β ladder)trans-102.2151175.9-530000110.6V25 V65 K66 L71 D176V25-V60 HydrophobicContact CG1-CG1 3.92Å; V25-V60 HydrophobicContact CG2-CG1 4.29Å; V60-V65 HydrophobicContact CB-CG1 3.91Å; V60-V65 HydrophobicContact CG1-CG1 3.84Å; V60-V65 HydrophobicContact CG2-CG1 3.88Å; V60-K66 CarbonylContact C-O 3.5Å; V60-K66 VanDerWaalsContact CA-O 3.23Å; V60-K66 WeakPolarHBondContact CA-O 3.25Å; V60-L71 HydrophobicContact CG1-CD2 3.68Å; V60-D176 HydrophobicContact CG1-CB 4.37Å; V60-D176 HydrophobicContact CG2-CB 4.21Å; V60-D176 WeakPolarHBondContact CG2-OD2 3.42Å; V60-D176 PolarHBondContact N-OD2 2.76Å
61F86.5Confident90.2Very high24 Ų2440.9 Ų40.911%0.10523%0.225CC..EExtended strand (participates in β ladder)trans-135.3158.6178.368.8-78.8000111.8K66 M133 I154F61-K66 HydrophobicContact CD1-CB 4.04Å; F61-K66 WeakPolarHBondContact CD1-O 3.24Å; F61-K66 HydrophobicContact CD2-CB 4.42Å; F61-K66 HydrophobicContact CE1-CB 3.68Å; F61-K66 WeakPolarHBondContact CE1-O 3.16Å; F61-K66 HydrophobicContact CE2-CB 4.07Å; F61-K66 HydrophobicContact CE2-CD 4.03Å; F61-K66 HydrophobicContact CG-CB 4.41Å; F61-K66 HydrophobicContact CZ-CB 3.7Å; F61-K66 HydrophobicContact CZ-CD 4.09Å; F61-K66 PolarHBondContact N-O 3.43Å; F61-K66 WeakPolarHBondContact O-CB 3.4Å; F61-K66 PolarHBondContact O-N 2.97Å; F61-M133 HydrophobicContact CB-CE 3.8Å; F61-M133 HydrophobicContact CB-CG 4.31Å; F61-M133 HydrophobicContact CB-SD 3.83Å; F61-M133 HydrophobicContact CD1-CE 3.53Å; F61-M133 HydrophobicContact CD1-SD 3.34Å; F61-M133 WeakPolarHBondContact CD1-SD 3.16Å; F61-M133 HydrophobicContact CE1-CE 4.49Å; F61-M133 HydrophobicContact CE1-SD 4.03Å; F61-M133 HydrophobicContact CG-CE 4.04Å; F61-M133 HydrophobicContact CG-SD 3.69Å; F61-I154 HydrophobicContact CD2-CD1 3.94Å; F61-I154 HydrophobicContact CD2-CG1 3.91Å; F61-I154 HydrophobicContact CE1-CD1 4.36Å; F61-I154 HydrophobicContact CE2-CD1 3.53Å; F61-I154 HydrophobicContact CE2-CG1 3.85Å; F61-I154 HydrophobicContact CZ-CD1 3.76Å
62G78.8Confident90.4Very high26 Ų2641 Ų4127%0.26823%0.225SC..THydrogen-bonded Turntrans69.2165.117800000114.1N64 V65G62-N64 PolarHBondContact O-N 2.98Å; G62-N64 VanDerWaalsContact O-N 3.13Å; G62-V65 PolarHBondContact O-N 3.14Å; G62-V65 VanDerWaalsContact O-N 3.16Å
63G75.1Confident90.6Very high84 Ų8436.3 Ų36.387%0.86620%0.202SC*.THydrogen-bonded Turntrans-63.5-20.5-176.100000114.9V65G63-V65 VanDerWaalsContact C-N 3.34Å
64N81.3Confident90.9Very high109 Ų10931.3 Ų31.358%0.58318%0.179SC*.THydrogen-bonded Turntrans-91.210.2179.6-72.8-31.1000113.9R28 G62 K66R28-N64 PolarHBondContact NE-O 2.98Å; G62-N64 PolarHBondContact O-N 2.98Å; G62-N64 VanDerWaalsContact O-N 3.13Å; N64-K66 VanDerWaalsContact C-N 3.35Å; N64-K66 HydrophobicContact CB-CG 4.39Å; N64-K66 PolarHBondContact O-N 3.1Å
65V87.1Confident91Very high41 Ų4130.9 Ų30.925%0.24818%0.177CC..THydrogen-bonded Turntrans56.350.8179.3-168.80000109.9R28 V60 G62 G63R28-V65 WeakPolarHBondContact CB-O 3.43Å; R28-V65 HydrophobicContact CG-CB 4.15Å; R28-V65 HydrophobicContact CG-CG1 4.23Å; V60-V65 HydrophobicContact CB-CG1 3.91Å; V60-V65 HydrophobicContact CG1-CG1 3.84Å; V60-V65 HydrophobicContact CG2-CG1 3.88Å; G62-V65 PolarHBondContact O-N 3.14Å; G62-V65 VanDerWaalsContact O-N 3.16Å; G63-V65 VanDerWaalsContact C-N 3.34Å
66K90.1Very high91.3Very high73 Ų7322.8 Ų22.832%0.31715%0.147SC..EExtended strand (participates in β ladder)trans-74124.4179.8-66.1-175.3-174173.70108.6V60 F61 N64 E152V60-K66 CarbonylContact C-O 3.5Å; V60-K66 VanDerWaalsContact CA-O 3.23Å; V60-K66 WeakPolarHBondContact CA-O 3.25Å; F61-K66 HydrophobicContact CD1-CB 4.04Å; F61-K66 WeakPolarHBondContact CD1-O 3.24Å; F61-K66 HydrophobicContact CD2-CB 4.42Å; F61-K66 HydrophobicContact CE1-CB 3.68Å; F61-K66 WeakPolarHBondContact CE1-O 3.16Å; F61-K66 HydrophobicContact CE2-CB 4.07Å; F61-K66 HydrophobicContact CE2-CD 4.03Å; F61-K66 HydrophobicContact CG-CB 4.41Å; F61-K66 HydrophobicContact CZ-CB 3.7Å; F61-K66 HydrophobicContact CZ-CD 4.09Å; F61-K66 PolarHBondContact N-O 3.43Å; F61-K66 WeakPolarHBondContact O-CB 3.4Å; F61-K66 PolarHBondContact O-N 2.97Å; N64-K66 VanDerWaalsContact C-N 3.35Å; N64-K66 HydrophobicContact CB-CG 4.39Å; N64-K66 PolarHBondContact O-N 3.1Å; K66-E152 IonicContact NZ-OE1 3.75Å; K66-E152 PolarHBondContact NZ-OE1 2.84Å; K66-E152 IonicContact NZ-OE2 3.58Å; K66-E152 PolarHBondContact NZ-OE2 2.95Å
67P93.3Very high91.5Very high19 Ų1921.2 Ų21.212%0.12314%0.14CC..EExtended strand (participates in β ladder)trans-77.1144.5-179.830.5-32.4000110.9I29 L71I29-P67 HydrophobicContact CB-CG 4.41Å; I29-P67 HydrophobicContact CD1-CB 4.45Å; I29-P67 HydrophobicContact CG1-CB 3.49Å; I29-P67 VanDerWaalsContact CG1-CB 3.49Å; I29-P67 HydrophobicContact CG1-CG 3.82Å; P67-L71 HydrophobicContact CB-CD2 4.2Å
68S93.4Very high91.7Very high0 Ų021.2 Ų21.20%014%0.14CC..PPolyproline II helixtrans-69.5156.516971.90000111.5G58 G59 F70 L71 C72G58-S68 PolarHBondContact O-OG 3.12Å; G59-S68 WeakPolarHBondContact O-CB 3.43Å; G59-S68 PolarHBondContact O-N 2.77Å; G59-S68 PolarHBondContact O-OG 3.22Å; S68-F70 PolarHBondContact O-N 3.31Å; S68-F70 PolarHBondContact OG-N 3.4Å; S68-L71 PolarHBondContact O-N 3.48Å; S68-L71 VanDerWaalsContact OG-CB 3.29Å; S68-L71 WeakPolarHBondContact OG-CB 3.41Å; S68-L71 PolarHBondContact OG-N 2.9Å; S68-C72 PolarHBondContact O-N 3.26Å; S68-C72 PolarHBondContact O-SG 2.79Å
69P94.5Very high91.9Very high34 Ų3422.1 Ų22.122%0.22114%0.144CC..Hα-helixtrans-54.3-39.2166.6-2837.3000112.6Y34 L54 F56 L71 C72 L73Y34-P69 HydrophobicContact CD1-CB 4.26Å; Y34-P69 HydrophobicContact CD2-CB 4.07Å; Y34-P69 HydrophobicContact CD2-CG 4.22Å; Y34-P69 HydrophobicContact CE1-CB 4.01Å; Y34-P69 HydrophobicContact CE2-CB 3.83Å; Y34-P69 HydrophobicContact CE2-CG 4.35Å; Y34-P69 HydrophobicContact CG-CB 4.29Å; L54-P69 HydrophobicContact CD2-CB 3.86Å; F56-P69 HydrophobicContact CZ-CG 4.17Å; P69-L71 PolarHBondContact O-N 3.08Å; P69-C72 WeakPolarHBondContact O-CB 3.34Å; P69-C72 PolarHBondContact O-N 3.23Å; P69-L73 WeakPolarHBondContact O-CG 3.46Å; P69-L73 PolarHBondContact O-N 3.21Å
70F96.1Very high92Very high0 Ų023.4 Ų23.40%015%0.15CC..Hα-helixtrans-56.7-49.4175.5179.8-92.1000111.8L54 V57 S68 C72 L73 Q74 A101 L102 M105 F164L54-F70 HydrophobicContact CD1-CD2 4Å; L54-F70 HydrophobicContact CD2-CB 4.34Å; V57-F70 HydrophobicContact CB-CD2 4.33Å; V57-F70 HydrophobicContact CB-CE2 4.46Å; V57-F70 HydrophobicContact CB-CG 4.48Å; V57-F70 HydrophobicContact CG1-CD1 3.79Å; V57-F70 HydrophobicContact CG1-CD2 3.9Å; V57-F70 HydrophobicContact CG1-CE1 3.63Å; V57-F70 HydrophobicContact CG1-CE2 3.75Å; V57-F70 HydrophobicContact CG1-CG 3.93Å; V57-F70 HydrophobicContact CG1-CZ 3.62Å; V57-F70 HydrophobicContact CG2-CD2 4.13Å; V57-F70 HydrophobicContact CG2-CE2 4.13Å; S68-F70 PolarHBondContact O-N 3.31Å; S68-F70 PolarHBondContact OG-N 3.4Å; F70-C72 VanDerWaalsContact C-N 3.32Å; F70-C72 PolarHBondContact O-N 3.1Å; F70-L73 PolarHBondContact O-N 2.95Å; F70-Q74 HydrophobicContact CD1-CG 4.22Å; F70-Q74 HydrophobicContact CE1-CG 3.87Å; F70-Q74 HydrophobicContact CZ-CG 4.29Å; F70-Q74 WeakPolarHBondContact O-CG 3.4Å; F70-Q74 PolarHBondContact O-N 3.08Å; F70-A101 HydrophobicContact CE2-CB 4.19Å; F70-L102 HydrophobicContact CD2-CD1 3.84Å; F70-L102 HydrophobicContact CE2-CB 3.94Å; F70-L102 HydrophobicContact CE2-CD1 3.76Å; F70-L102 HydrophobicContact CE2-CG 4.49Å; F70-L102 HydrophobicContact CG-CD1 4.42Å; F70-L102 HydrophobicContact CZ-CD1 4.27Å; F70-M105 HydrophobicContact CE1-CB 4.42Å; F70-M105 HydrophobicContact CE1-CG 4.33Å; F70-M105 HydrophobicContact CZ-CB 4.04Å; F70-M105 HydrophobicContact CZ-CG 4.44Å; F70-F164 HydrophobicContact CZ-CZ 4.05Å
71L96.3Very high92.2Very high0 Ų024.5 Ų24.50%015%0.154CC..Hα-helixtrans-67.5-33.6179.2-173.864.8000112.1I21 V25 I29 V60 P67 S68 P69 Q74 L75 I177I21-L71 HydrophobicContact CD1-CD1 4.28Å; V25-L71 HydrophobicContact CG1-CD2 3.67Å; I29-L71 HydrophobicContact CD1-CD2 4.22Å; I29-L71 HydrophobicContact CD1-CG 3.96Å; V60-L71 HydrophobicContact CG1-CD2 3.68Å; P67-L71 HydrophobicContact CB-CD2 4.2Å; S68-L71 PolarHBondContact O-N 3.48Å; S68-L71 VanDerWaalsContact OG-CB 3.29Å; S68-L71 WeakPolarHBondContact OG-CB 3.41Å; S68-L71 PolarHBondContact OG-N 2.9Å; P69-L71 PolarHBondContact O-N 3.08Å; L71-Q74 PolarHBondContact O-N 3.36Å; L71-L75 PolarHBondContact O-N 3.37Å; L71-I177 HydrophobicContact CD1-CD1 3.51Å; L71-I177 HydrophobicContact CD1-CG1 3.94Å
72C96.9Very high92.6Very high1 Ų123.8 Ų23.81%0.00715%0.152CC..Hα-helixtrans-63.6-45.3172.9-64.70000111.3I29 Y34 W35 S68 P69 F70 Q74 L75 K76I29-C72 HydrophobicContact CG2-CB 4.26Å; Y34-C72 HydrophobicContact CD1-CB 3.6Å; Y34-C72 HydrophobicContact CE1-CB 4.01Å; W35-C72 HydrophobicContact CE3-CB 4.41Å; W35-C72 WeakPolarHBondContact CZ3-O 3.34Å; S68-C72 PolarHBondContact O-N 3.26Å; S68-C72 PolarHBondContact O-SG 2.79Å; P69-C72 WeakPolarHBondContact O-CB 3.34Å; P69-C72 PolarHBondContact O-N 3.23Å; F70-C72 VanDerWaalsContact C-N 3.32Å; F70-C72 PolarHBondContact O-N 3.1Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; C72-L75 PolarHBondContact O-N 3.34Å; C72-K76 PolarHBondContact O-N 3.19Å
73L97.1Very high93.3Very high0 Ų028.2 Ų28.20%017%0.169CC..Hα-helixtrans-66.4-36.4175.9-66.6-177000111.8Y34 L42 L47 K50 L54 P69 F70 L75 K76 M77 L102Y34-L73 HydrophobicContact CE1-CD2 4.07Å; Y34-L73 HydrophobicContact CE1-CG 4.11Å; L42-L73 HydrophobicContact CD2-CD2 3.92Å; L47-L73 HydrophobicContact CD1-CD2 4.07Å; K50-L73 HydrophobicContact CB-CD1 4.18Å; K50-L73 HydrophobicContact CB-CD2 4.03Å; L54-L73 HydrophobicContact CD1-CD1 3.94Å; L54-L73 HydrophobicContact CD2-CD1 3.95Å; L54-L73 HydrophobicContact CG-CD1 3.93Å; P69-L73 WeakPolarHBondContact O-CG 3.46Å; P69-L73 PolarHBondContact O-N 3.21Å; F70-L73 PolarHBondContact O-N 2.95Å; L73-L75 PolarHBondContact O-N 2.96Å; L73-K76 WeakPolarHBondContact O-CB 3.39Å; L73-K76 PolarHBondContact O-N 3.1Å; L73-K76 VanDerWaalsContact O-N 3.1Å; L73-M77 WeakPolarHBondContact O-CG 3.3Å; L73-M77 PolarHBondContact O-N 3.21Å; L73-L102 HydrophobicContact CB-CD1 3.78Å; L73-L102 HydrophobicContact CB-CD2 4.09Å; L73-L102 HydrophobicContact CD1-CD2 4.25Å
74Q97.4Very high94.2Very high1 Ų128.3 Ų28.31%0.00515%0.146CC..Hα-helixtrans-58.6-46171.3-74.8-58.298.600112.2F70 L71 C72 K76 M77 L78 L102 M105F70-Q74 HydrophobicContact CD1-CG 4.22Å; F70-Q74 HydrophobicContact CE1-CG 3.87Å; F70-Q74 HydrophobicContact CZ-CG 4.29Å; F70-Q74 WeakPolarHBondContact O-CG 3.4Å; F70-Q74 PolarHBondContact O-N 3.08Å; L71-Q74 PolarHBondContact O-N 3.36Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; Q74-K76 VanDerWaalsContact C-N 3.28Å; Q74-K76 PolarHBondContact O-N 3.2Å; Q74-M77 PolarHBondContact O-N 3.34Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 3.18Å; Q74-L102 HydrophobicContact CG-CD1 3.92Å; Q74-L102 VanDerWaalsContact OE1-CG 3.29Å; Q74-L102 PolarHBondContact OE1-O 3.38Å; Q74-M105 HydrophobicContact CG-CG 4.19Å
75L97.1Very high94.9Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-63.8-36.6174.9-176.959.7000111.5Q18 I21 R26 I29 Y30 W35 L71 C72 L73 L78 Q79Q18-L75 HydrophobicContact CB-CD1 4.01Å; Q18-L75 HydrophobicContact CG-CD1 4.01Å; I21-L75 HydrophobicContact CD1-CB 3.76Å; I21-L75 HydrophobicContact CD1-CD1 3.93Å; I21-L75 HydrophobicContact CD1-CG 4.37Å; R26-L75 HydrophobicContact CG-CD1 4.19Å; R26-L75 HydrophobicContact CG-CD2 4.28Å; I29-L75 HydrophobicContact CB-CD2 3.8Å; I29-L75 HydrophobicContact CD1-CB 4.05Å; I29-L75 HydrophobicContact CD1-CD2 3.77Å; I29-L75 HydrophobicContact CG1-CD2 4.39Å; I29-L75 HydrophobicContact CG2-CB 4.34Å; I29-L75 HydrophobicContact CG2-CD2 3.49Å; I29-L75 VanDerWaalsContact CG2-CD2 3.49Å; I29-L75 HydrophobicContact CG2-CG 4.49Å; Y30-L75 HydrophobicContact CD1-CD2 4.04Å; Y30-L75 HydrophobicContact CE1-CD2 3.38Å; Y30-L75 HydrophobicContact CE1-CG 4.33Å; W35-L75 HydrophobicContact CH2-CB 4.36Å; W35-L75 HydrophobicContact CH2-CD2 4.11Å; W35-L75 HydrophobicContact CH2-CG 3.92Å; W35-L75 HydrophobicContact CZ3-CB 3.92Å; W35-L75 HydrophobicContact CZ3-CD2 4.08Å; W35-L75 HydrophobicContact CZ3-CG 3.95Å; L71-L75 PolarHBondContact O-N 3.37Å; C72-L75 PolarHBondContact O-N 3.34Å; L73-L75 PolarHBondContact O-N 2.96Å; L75-L78 CarbonylContact O-C 3.57Å; L75-L78 PolarHBondContact O-N 3.11Å; L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 PolarHBondContact O-N 3.07Å
76K96.5Very high95.2Very high13 Ų1331 Ų316%0.05715%0.153CC..Hα-helixtrans-64.1-44.9177.7175.957.769.4177.80111.1W35 C39 L42 L47 C72 L73 Q74 L78 Q79 I80W35-K76 HydrophobicContact CH2-CB 4.21Å; W35-K76 HydrophobicContact CZ3-CB 3.86Å; C39-K76 WeakPolarHBondContact O-CE 3.4Å; C39-K76 PolarHBondContact O-NZ 3.13Å; L42-K76 HydrophobicContact CB-CD 4.28Å; L42-K76 HydrophobicContact CB-CG 4.38Å; L42-K76 HydrophobicContact CD2-CG 4.1Å; L47-K76 HydrophobicContact CD1-CG 4.14Å; C72-K76 PolarHBondContact O-N 3.19Å; L73-K76 WeakPolarHBondContact O-CB 3.39Å; L73-K76 PolarHBondContact O-N 3.1Å; L73-K76 VanDerWaalsContact O-N 3.1Å; Q74-K76 VanDerWaalsContact C-N 3.28Å; Q74-K76 PolarHBondContact O-N 3.2Å; K76-L78 VanDerWaalsContact C-N 3.3Å; K76-L78 PolarHBondContact O-N 3.09Å; K76-Q79 WeakPolarHBondContact O-CA 3.36Å; K76-Q79 WeakPolarHBondContact O-CB 3.35Å; K76-Q79 PolarHBondContact O-N 3.09Å; K76-I80 HydrophobicContact CD-CD1 4.44Å; K76-I80 HydrophobicContact CD-CG2 3.76Å; K76-I80 HydrophobicContact CG-CD1 4.37Å; K76-I80 WeakPolarHBondContact O-CG1 3.32Å; K76-I80 PolarHBondContact O-N 3.26Å
77M96.6Very high95.5Very high0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-59.2-41.5173.8-68.8-17780.500111.5L47 L73 Q74 Q79 Q81 P82 V87 F90 L102 Y106L47-M77 HydrophobicContact CD1-CG 4.28Å; L47-M77 HydrophobicContact CD2-CE 4.09Å; L47-M77 HydrophobicContact CD2-CG 3.36Å; L47-M77 HydrophobicContact CD2-SD 3.88Å; L47-M77 HydrophobicContact CG-CG 4.42Å; L73-M77 WeakPolarHBondContact O-CG 3.3Å; L73-M77 PolarHBondContact O-N 3.21Å; Q74-M77 PolarHBondContact O-N 3.34Å; M77-Q79 VanDerWaalsContact C-N 3.27Å; M77-Q79 PolarHBondContact O-N 2.87Å; M77-Q81 VanDerWaalsContact O-CA 3.24Å; M77-Q81 WeakPolarHBondContact O-CA 3.44Å; M77-Q81 PolarHBondContact O-N 3.45Å; M77-P82 HydrophobicContact CB-CG 4.44Å; M77-P82 HydrophobicContact CE-CG 3.79Å; M77-P82 HydrophobicContact CG-CG 4.47Å; M77-P82 WeakPolarHBondContact O-CD 3.26Å; M77-V87 HydrophobicContact CE-CG2 4.16Å; M77-F90 HydrophobicContact CE-CD2 4.05Å; M77-F90 HydrophobicContact CE-CE2 4.1Å; M77-F90 HydrophobicContact SD-CE2 4.48Å; M77-L102 HydrophobicContact SD-CD2 3.97Å; M77-L102 HydrophobicContact SD-CG 3.86Å; M77-Y106 VanDerWaalsContact C-CE2 3.5Å; M77-Y106 HydrophobicContact CB-CD2 3.36Å; M77-Y106 HydrophobicContact CB-CE2 3.58Å; M77-Y106 HydrophobicContact CB-CG 4.06Å; M77-Y106 HydrophobicContact CE-CD1 3.74Å; M77-Y106 HydrophobicContact CE-CD2 4.16Å; M77-Y106 HydrophobicContact CE-CE1 4.39Å; M77-Y106 HydrophobicContact CE-CG 3.6Å; M77-Y106 HydrophobicContact CG-CD2 4.38Å; M77-Y106 WeakPolarHBondContact O-CE2 3.35Å; M77-Y106 HydrophobicContact SD-CD2 4.3Å; M77-Y106 HydrophobicContact SD-CG 4.08Å
78L96.6Very high95.6Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-66.8-27.1173.9-66.2170.2000113.1P17 Q18 L20 I21 Q74 L75 K76 Y106 L109 T110P17-L78 HydrophobicContact CB-CB 4.37Å; P17-L78 HydrophobicContact CB-CD2 4.16Å; P17-L78 WeakPolarHBondContact CB-O 3.31Å; Q18-L78 HydrophobicContact CG-CB 4.43Å; L20-L78 HydrophobicContact CB-CD1 4.36Å; L20-L78 HydrophobicContact CD1-CD2 3.98Å; I21-L78 HydrophobicContact CD1-CD1 3.87Å; I21-L78 HydrophobicContact CG1-CD1 3.85Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 3.18Å; L75-L78 CarbonylContact O-C 3.57Å; L75-L78 PolarHBondContact O-N 3.11Å; K76-L78 VanDerWaalsContact C-N 3.3Å; K76-L78 PolarHBondContact O-N 3.09Å; L78-Y106 HydrophobicContact CD2-CD2 4.19Å; L78-Y106 HydrophobicContact CD2-CE2 3.89Å; L78-Y106 HydrophobicContact CG-CD2 4.44Å; L78-Y106 HydrophobicContact CG-CE2 4.32Å; L78-L109 HydrophobicContact CD1-CD1 4.48Å; L78-T110 HydrophobicContact CD2-CG2 3.69Å
79Q94.9Very high95.6Very high18 Ų1832.7 Ų32.78%0.08416%0.161CC..Hα-helixtrans-75.4-44.4177.8-172.5-173.121.800112.1R4 T5 V6 Q18 L75 K76 M77R4-Q79 WeakPolarHBondContact O-CG 3.38Å; R4-Q79 PolarHBondContact O-NE2 3.36Å; T5-Q79 WeakPolarHBondContact CA-O 3.25Å; T5-Q79 WeakPolarHBondContact CG2-O 3.45Å; V6-Q79 PolarHBondContact N-O 2.87Å; Q18-Q79 HydrophobicContact CG-CB 4.25Å; L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 PolarHBondContact O-N 3.07Å; K76-Q79 WeakPolarHBondContact O-CA 3.36Å; K76-Q79 WeakPolarHBondContact O-CB 3.35Å; K76-Q79 PolarHBondContact O-N 3.09Å; M77-Q79 VanDerWaalsContact C-N 3.27Å; M77-Q79 PolarHBondContact O-N 2.87Å
80I94.7Very high95.6Very high31 Ų3131.5 Ų31.516%0.15915%0.152CC..Hα-helixtrans-94.6-15.9-175.171.7-174.3000113.4V6 A44 K76V6-I80 HydrophobicContact CG1-CB 4.49Å; V6-I80 HydrophobicContact CG1-CG2 4.44Å; V6-I80 WeakPolarHBondContact CG2-O 3.48Å; A44-I80 HydrophobicContact CB-CD1 4.33Å; K76-I80 HydrophobicContact CD-CD1 4.44Å; K76-I80 HydrophobicContact CD-CG2 3.76Å; K76-I80 HydrophobicContact CG-CD1 4.37Å; K76-I80 WeakPolarHBondContact O-CG1 3.32Å; K76-I80 PolarHBondContact O-N 3.26Å
81Q95.4Very high95.5Very high40 Ų4031.8 Ų31.819%0.18715%0.154CC..  trans45.669.3-178.6-163.6178.854.900112.7A9 S10 M77 Y106A9-Q81 HydrophobicContact CB-CB 4.12Å; S10-Q81 PolarHBondContact O-NE2 3Å; S10-Q81 VanDerWaalsContact O-NE2 3.08Å; S10-Q81 PolarHBondContact OG-NE2 2.87Å; S10-Q81 PolarHBondContact OG-OE1 2.81Å; S10-Q81 VanDerWaalsContact OG-OE1 3.1Å; M77-Q81 VanDerWaalsContact O-CA 3.24Å; M77-Q81 WeakPolarHBondContact O-CA 3.44Å; M77-Q81 PolarHBondContact O-N 3.45Å; Q81-Y106 WeakPolarHBondContact CA-OH 3.48Å; Q81-Y106 WeakPolarHBondContact CG-OH 3.29Å
82P95.3Very high95.3Very high10 Ų1039.9 Ų39.97%0.06519%0.185CC..  trans-61152-178.228.9-35.9000111.2A44 M77 I86 V87 Y106A44-P82 HydrophobicContact CB-CB 3.98Å; M77-P82 HydrophobicContact CB-CG 4.44Å; M77-P82 HydrophobicContact CE-CG 3.79Å; M77-P82 HydrophobicContact CG-CG 4.47Å; M77-P82 WeakPolarHBondContact O-CD 3.26Å; P82-I86 HydrophobicContact CB-CB 4.44Å; P82-I86 HydrophobicContact CB-CD1 4.47Å; P82-I86 HydrophobicContact CB-CG2 4.39Å; P82-V87 HydrophobicContact CG-CG2 4.04Å; P82-Y106 HydrophobicContact CG-CE1 4.23Å
83D94.3Very high94.8Very high119 Ų11941.5 Ų41.564%0.63619%0.192SC*.  trans-57.6149.5178.8-70.7-40.7000111.9E85 I86 V87D83-E85 PolarHBondContact O-N 2.81Å; D83-E85 VanDerWaalsContact O-N 3.16Å; D83-I86 HydrophobicContact CB-CD1 4.35Å; D83-I86 HydrophobicContact CB-CG1 4.41Å; D83-I86 WeakPolarHBondContact O-CB 3.4Å; D83-I86 PolarHBondContact O-N 3Å; D83-V87 PolarHBondContact O-N 3.3Å
84K94.2Very high94.1Very high85 Ų8548.5 Ų48.537%0.3723%0.225SC..Hα-helixtrans-54-38-179.3168.8167.2176.6-168.90112.4I86 V87 I88 F111 E115K84-I86 PolarHBondContact O-N 3.23Å; K84-V87 PolarHBondContact O-N 3.46Å; K84-I88 HydrophobicContact CD-CD1 4.34Å; K84-I88 HydrophobicContact CG-CD1 3.66Å; K84-I88 HydrophobicContact CG-CG1 4.36Å; K84-I88 VanDerWaalsContact O-CG1 3.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.41Å; K84-I88 PolarHBondContact O-N 2.95Å; K84-F111 HydrophobicContact CB-CE1 4.35Å; K84-F111 HydrophobicContact CB-CZ 3.97Å; K84-F111 HydrophobicContact CD-CD1 4.47Å; K84-F111 HydrophobicContact CD-CE1 3.7Å; K84-F111 HydrophobicContact CD-CZ 4.19Å; K84-F111 HydrophobicContact CG-CE1 3.58Å; K84-F111 HydrophobicContact CG-CZ 3.67Å; K84-E115 WeakPolarHBondContact CE-OE1 3.5Å; K84-E115 IonicContact NZ-OE1 3.76Å; K84-E115 PolarHBondContact NZ-OE1 2.79Å
85E94.5Very high93.5Very high164 Ų16455.6 Ų55.677%0.76626%0.263SS*.Hα-helixtrans-62.6-41.9179.4-64.2-178.3178.900112.1D83 V87 I88 E89D83-E85 PolarHBondContact O-N 2.81Å; D83-E85 VanDerWaalsContact O-N 3.16Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.08Å; E85-I88 PolarHBondContact O-N 3.33Å; E85-E89 WeakPolarHBondContact O-CB 3.35Å; E85-E89 PolarHBondContact O-N 3.47Å
86I93.8Very high93.2Very high44 Ų4456.2 Ų56.223%0.22627%0.267CS..Hα-helixtrans-63.1-41.8177.6-59.5175.9000110.5A44 P82 D83 K84 E89 F90A44-I86 HydrophobicContact CB-CD1 3.77Å; P82-I86 HydrophobicContact CB-CB 4.44Å; P82-I86 HydrophobicContact CB-CD1 4.47Å; P82-I86 HydrophobicContact CB-CG2 4.39Å; D83-I86 HydrophobicContact CB-CD1 4.35Å; D83-I86 HydrophobicContact CB-CG1 4.41Å; D83-I86 WeakPolarHBondContact O-CB 3.4Å; D83-I86 PolarHBondContact O-N 3Å; K84-I86 PolarHBondContact O-N 3.23Å; I86-E89 PolarHBondContact O-N 3.49Å; I86-F90 HydrophobicContact CG2-CD1 4.34Å; I86-F90 HydrophobicContact CG2-CE1 3.91Å; I86-F90 HydrophobicContact CG2-CZ 4.14Å; I86-F90 WeakPolarHBondContact O-CD1 3.47Å; I86-F90 PolarHBondContact O-N 3.25Å
87V95.8Very high93.1Very high0 Ų058.4 Ų58.40%028%0.277CS..Hα-helixtrans-66.1-41.5178.8-1800000111.4M77 P82 D83 K84 E85 E89 F90 I91 Y106 L107 F111M77-V87 HydrophobicContact CE-CG2 4.16Å; P82-V87 HydrophobicContact CG-CG2 4.04Å; D83-V87 PolarHBondContact O-N 3.3Å; K84-V87 PolarHBondContact O-N 3.46Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.08Å; V87-E89 VanDerWaalsContact C-N 3.31Å; V87-F90 WeakPolarHBondContact O-CB 3.34Å; V87-F90 PolarHBondContact O-N 2.85Å; V87-I91 HydrophobicContact CG1-CD1 4.49Å; V87-I91 WeakPolarHBondContact O-CG1 3.47Å; V87-I91 PolarHBondContact O-N 3.3Å; V87-I91 VanDerWaalsContact O-N 3.14Å; V87-Y106 HydrophobicContact CB-CD1 4.36Å; V87-Y106 HydrophobicContact CG1-CD1 3.82Å; V87-Y106 HydrophobicContact CG1-CE1 4.49Å; V87-Y106 HydrophobicContact CG2-CD1 3.53Å; V87-Y106 HydrophobicContact CG2-CE1 3.51Å; V87-L107 HydrophobicContact CG1-CB 4.05Å; V87-L107 HydrophobicContact CG1-CD1 4.35Å; V87-F111 HydrophobicContact CB-CZ 4.18Å; V87-F111 HydrophobicContact CG1-CE2 4.31Å; V87-F111 HydrophobicContact CG1-CZ 4.13Å
88I95.6Very high93.1Very high27 Ų2759.2 Ų59.214%0.13828%0.28CS..Hα-helixtrans-64.4-41.1175.8-68.2164.7000109.8K84 E85 F90 I91 R92 Y119K84-I88 HydrophobicContact CD-CD1 4.34Å; K84-I88 HydrophobicContact CG-CD1 3.66Å; K84-I88 HydrophobicContact CG-CG1 4.36Å; K84-I88 VanDerWaalsContact O-CG1 3.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.41Å; K84-I88 PolarHBondContact O-N 2.95Å; E85-I88 PolarHBondContact O-N 3.33Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 3.27Å; I88-I91 WeakPolarHBondContact O-CB 3.21Å; I88-I91 PolarHBondContact O-N 3.14Å; I88-I91 VanDerWaalsContact O-N 3.12Å; I88-R92 HydrophobicContact CG2-CG 4.19Å; I88-R92 WeakPolarHBondContact O-CG 3.24Å; I88-R92 PolarHBondContact O-N 3.43Å; I88-Y119 HydrophobicContact CD1-CE1 3.83Å; I88-Y119 HydrophobicContact CD1-CE2 4.2Å; I88-Y119 WeakPolarHBondContact CD1-OH 3.43Å; I88-Y119 HydrophobicContact CG1-CD1 4.31Å; I88-Y119 HydrophobicContact CG1-CE1 3.88Å; I88-Y119 HydrophobicContact CG1-CE2 4.42Å; I88-Y119 HydrophobicContact CG2-CE1 4.2Å
89E94.2Very high93Very high99 Ų9959.2 Ų59.246%0.46328%0.28SS..Hα-helixtrans-61.8-40.3176.6-164.159.5-158.800111.6E85 I86 V87 I91 R92 Q93E85-E89 WeakPolarHBondContact O-CB 3.35Å; E85-E89 PolarHBondContact O-N 3.47Å; I86-E89 PolarHBondContact O-N 3.49Å; V87-E89 VanDerWaalsContact C-N 3.31Å; E89-I91 VanDerWaalsContact C-N 3.29Å; E89-I91 PolarHBondContact O-N 2.92Å; E89-R92 PolarHBondContact O-N 2.82Å; E89-Q93 PolarHBondContact O-N 3.45Å
90F94Very high93.1Very high9 Ų959.5 Ų59.54%0.03928%0.28CS..Hα-helixtrans-59.2-40173.3-7812.6000112.7L47 V48 M77 I86 V87 I88 I99 R100 L102L47-F90 HydrophobicContact CB-CZ 4.15Å; L47-F90 HydrophobicContact CD2-CE2 3.45Å; L47-F90 VanDerWaalsContact CD2-CE2 3.45Å; L47-F90 HydrophobicContact CD2-CZ 3.79Å; L47-F90 HydrophobicContact CG-CE2 3.99Å; L47-F90 HydrophobicContact CG-CZ 4.08Å; V48-F90 HydrophobicContact CB-CE1 3.99Å; V48-F90 HydrophobicContact CB-CZ 4.29Å; V48-F90 HydrophobicContact CG2-CE1 4.13Å; M77-F90 HydrophobicContact CE-CD2 4.05Å; M77-F90 HydrophobicContact CE-CE2 4.1Å; M77-F90 HydrophobicContact SD-CE2 4.48Å; I86-F90 HydrophobicContact CG2-CD1 4.34Å; I86-F90 HydrophobicContact CG2-CE1 3.91Å; I86-F90 HydrophobicContact CG2-CZ 4.14Å; I86-F90 WeakPolarHBondContact O-CD1 3.47Å; I86-F90 PolarHBondContact O-N 3.25Å; V87-F90 WeakPolarHBondContact O-CB 3.34Å; V87-F90 PolarHBondContact O-N 2.85Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 3.27Å; F90-I99 HydrophobicContact CB-CG2 3.6Å; F90-I99 HydrophobicContact CD1-CG2 3.87Å; F90-I99 HydrophobicContact CD2-CG2 3.98Å; F90-I99 HydrophobicContact CG-CG2 3.56Å; F90-R100 VanDerWaalsContact O-CA 3.3Å; F90-R100 WeakPolarHBondContact O-CA 3.45Å; F90-R100 PolarHBondContact O-N 3.48Å; F90-L102 HydrophobicContact CE2-CD2 4.48Å
91I94.9Very high93.2Very high7 Ų758 Ų584%0.03627%0.273CS..Hα-helixtrans-69.1-41.6177.3-70.4170.4000110.7V87 I88 E89 Q93 R100 L107 L123V87-I91 HydrophobicContact CG1-CD1 4.49Å; V87-I91 WeakPolarHBondContact O-CG1 3.47Å; V87-I91 PolarHBondContact O-N 3.3Å; V87-I91 VanDerWaalsContact O-N 3.14Å; I88-I91 WeakPolarHBondContact O-CB 3.21Å; I88-I91 PolarHBondContact O-N 3.14Å; I88-I91 VanDerWaalsContact O-N 3.12Å; E89-I91 VanDerWaalsContact C-N 3.29Å; E89-I91 PolarHBondContact O-N 2.92Å; I91-Q93 VanDerWaalsContact C-N 3.3Å; I91-Q93 PolarHBondContact O-N 3.48Å; I91-R100 WeakPolarHBondContact O-CG 3.47Å; I91-R100 PolarHBondContact O-NE 2.96Å; I91-L107 HydrophobicContact CD1-CB 4.02Å; I91-L107 HydrophobicContact CD1-CD1 3.36Å; I91-L107 HydrophobicContact CD1-CG 4.25Å; I91-L123 HydrophobicContact CG2-CD1 3.78Å; I91-L123 HydrophobicContact CG2-CD2 3.9Å; I91-L123 HydrophobicContact CG2-CG 4.19Å
92R92.2Very high93.3Very high170 Ų17056.1 Ų56.164%0.64226%0.264SS*.Hα-helixtrans-71.4-25.2-179.3-69.7178.772.1176.71.6112.6I88 E89 E94 R100I88-R92 HydrophobicContact CG2-CG 4.19Å; I88-R92 WeakPolarHBondContact O-CG 3.24Å; I88-R92 PolarHBondContact O-N 3.43Å; E89-R92 PolarHBondContact O-N 2.82Å; R92-E94 PolarHBondContact O-N 2.96Å; R92-E94 VanDerWaalsContact O-N 3.09Å; R92-R100 PolarHBondContact O-NH2 3.49Å
93Q85.2Confident93.4Very high34 Ų3455.7 Ų55.716%0.15926%0.261CS..  trans-54.3114.8179.4-166.6125.6-69.800112.5E89 I91 R100E89-Q93 PolarHBondContact O-N 3.45Å; I91-Q93 VanDerWaalsContact C-N 3.3Å; I91-Q93 PolarHBondContact O-N 3.48Å; Q93-R100 PolarHBondContact O-NE 3Å; Q93-R100 PolarHBondContact O-NH2 3.33Å; Q93-R100 VanDerWaalsContact O-NH2 3.11Å
94E82.2Confident93.5Very high147 Ų14750 Ų5069%0.68723%0.23SC*.SBendtrans-85-28.2-179.8-74.5179.8-169.800112.5R92 S96 R128R92-E94 PolarHBondContact O-N 2.96Å; R92-E94 VanDerWaalsContact O-N 3.09Å; E94-S96 PolarHBondContact O-N 3.09Å; E94-R128 PolarHBondContact O-NH1 3.46Å
95D86Confident93.7Very high150 Ų15046 Ų4680%0.80221%0.213SC*.SBendtrans-69.4-34.4-174.5-60.8-37.1000113.4
96S91Very high93.9Very high13 Ų1338.4 Ų38.49%0.09118%0.177CC..  trans-120.2102.1-178.9-177.90000112.5E94 Y98 I99 R100E94-S96 PolarHBondContact O-N 3.09Å; S96-Y98 PolarHBondContact O-N 3.12Å; S96-I99 PolarHBondContact O-N 3.43Å; S96-I99 WeakPolarHBondContact OG-CG1 3.3Å; S96-I99 PolarHBondContact OG-N 3.04Å; S96-R100 PolarHBondContact O-N 3.48Å; S96-R100 VanDerWaalsContact O-N 3.12Å
97K94.6Very high94Very high60 Ų6036.3 Ų36.326%0.26117%0.166SC..Hα-helixtrans-59-26171.266.2-171.4178.4-167.10113.6A101 R128 K129 L130 M161K97-A101 PolarHBondContact O-N 3.17Å; K97-A101 VanDerWaalsContact O-N 3.1Å; K97-R128 HydrophobicContact CD-CB 4.39Å; K97-K129 WeakPolarHBondContact CD-O 3.46Å; K97-K129 WeakPolarHBondContact CE-O 3.5Å; K97-K129 PolarHBondContact NZ-O 3.43Å; K97-L130 HydrophobicContact CB-CD2 3.95Å; K97-L130 HydrophobicContact CD-CD2 3.87Å; K97-L130 HydrophobicContact CG-CD2 3.68Å; K97-M161 HydrophobicContact CB-CE 4.27Å; K97-M161 WeakPolarHBondContact O-CE 3.46Å
98Y95.9Very high94.1Very high16 Ų1636.9 Ų36.96%0.06317%0.169CC..Hα-helixtrans-81-34.5-179.8-62.9-71.8000112.3L54 R55 V57 S96 R100 A101 L102 L130 R131L54-Y98 HydrophobicContact CB-CG 4.17Å; L54-Y98 WeakPolarHBondContact O-CD2 3.36Å; R55-Y98 VanDerWaalsContact C-CZ 3.46Å; R55-Y98 PolarHBondContact O-OH 2.74Å; V57-Y98 HydrophobicContact CG2-CD1 3.69Å; V57-Y98 HydrophobicContact CG2-CE1 4.12Å; S96-Y98 PolarHBondContact O-N 3.12Å; Y98-R100 VanDerWaalsContact C-N 3.34Å; Y98-A101 PolarHBondContact O-N 3.37Å; Y98-L102 WeakPolarHBondContact O-CB 3.29Å; Y98-L102 PolarHBondContact O-N 3.18Å; Y98-L130 HydrophobicContact CD1-CD2 4.06Å; Y98-L130 HydrophobicContact CE1-CD2 3.93Å; Y98-R131 PolarHBondContact OH-N 2.98Å
99I95.1Very high94.1Very high0 Ų035.6 Ų35.60%016%0.162CC..Hα-helixtrans-63.2-44.4169.4-68.2178.6000110V48 G51 M52 F90 S96 A101 L102 G103V48-I99 HydrophobicContact CG2-CD1 3.89Å; V48-I99 WeakPolarHBondContact O-CD1 3.3Å; G51-I99 WeakPolarHBondContact O-CG1 3.28Å; M52-I99 HydrophobicContact CB-CD1 4.24Å; M52-I99 HydrophobicContact CE-CD1 4.44Å; M52-I99 HydrophobicContact CG-CD1 3.38Å; F90-I99 HydrophobicContact CB-CG2 3.6Å; F90-I99 HydrophobicContact CD1-CG2 3.87Å; F90-I99 HydrophobicContact CD2-CG2 3.98Å; F90-I99 HydrophobicContact CG-CG2 3.56Å; S96-I99 PolarHBondContact O-N 3.43Å; S96-I99 WeakPolarHBondContact OG-CG1 3.3Å; S96-I99 PolarHBondContact OG-N 3.04Å; I99-A101 VanDerWaalsContact C-N 3.33Å; I99-A101 PolarHBondContact O-N 3.1Å; I99-L102 WeakPolarHBondContact O-CB 3.47Å; I99-L102 PolarHBondContact O-N 3.46Å; I99-L102 VanDerWaalsContact O-N 3.07Å; I99-G103 PolarHBondContact O-N 3.41Å
100R95.8Very high94.2Very high25 Ų2531.9 Ų31.99%0.09415%0.146CC..Hα-helixtrans-56.3-46.4175.5-178.9173.4-70.4-177.3-7.6112F90 I91 R92 Q93 S96 Y98 L102 G103 A104 L123 D126 M161F90-R100 VanDerWaalsContact O-CA 3.3Å; F90-R100 WeakPolarHBondContact O-CA 3.45Å; F90-R100 PolarHBondContact O-N 3.48Å; I91-R100 WeakPolarHBondContact O-CG 3.47Å; I91-R100 PolarHBondContact O-NE 2.96Å; R92-R100 PolarHBondContact O-NH2 3.49Å; Q93-R100 PolarHBondContact O-NE 3Å; Q93-R100 PolarHBondContact O-NH2 3.33Å; Q93-R100 VanDerWaalsContact O-NH2 3.11Å; S96-R100 PolarHBondContact O-N 3.48Å; S96-R100 VanDerWaalsContact O-N 3.12Å; Y98-R100 VanDerWaalsContact C-N 3.34Å; R100-L102 VanDerWaalsContact C-N 3.34Å; R100-L102 PolarHBondContact O-N 3.44Å; R100-G103 PolarHBondContact O-N 2.79Å; R100-A104 VanDerWaalsContact O-CB 3.29Å; R100-A104 WeakPolarHBondContact O-CB 3.33Å; R100-A104 PolarHBondContact O-N 3.38Å; R100-L123 HydrophobicContact CG-CD1 4.3Å; R100-L123 HydrophobicContact CG-CD2 4.3Å; R100-D126 WeakPolarHBondContact CD-OD2 3.43Å; R100-D126 IonicContact CZ-OD2 3.6Å; R100-D126 IonicContact NE-OD2 3.53Å; R100-D126 IonicContact NH1-OD2 3.86Å; R100-D126 PolarHBondContact NH1-OD2 3Å; R100-M161 HydrophobicContact CB-CE 3.98Å; R100-M161 HydrophobicContact CG-CE 3.9Å; R100-M161 HydrophobicContact CG-SD 4.49Å
101A97.1Very high94.3Very high0 Ų032.4 Ų32.40%015%0.149CC..Hα-helixtrans-63.3-37.9175.300000112.7V57 F70 K97 Y98 I99 A104 M105 L130 M161 F164V57-A101 HydrophobicContact CG2-CB 4.02Å; F70-A101 HydrophobicContact CE2-CB 4.19Å; K97-A101 PolarHBondContact O-N 3.17Å; K97-A101 VanDerWaalsContact O-N 3.1Å; Y98-A101 PolarHBondContact O-N 3.37Å; I99-A101 VanDerWaalsContact C-N 3.33Å; I99-A101 PolarHBondContact O-N 3.1Å; A101-A104 PolarHBondContact O-N 2.77Å; A101-M105 WeakPolarHBondContact O-CB 3.32Å; A101-M105 PolarHBondContact O-N 3.11Å; A101-L130 HydrophobicContact CB-CD1 4.46Å; A101-M161 HydrophobicContact CB-CE 3.98Å; A101-M161 HydrophobicContact CB-SD 4.35Å; A101-F164 HydrophobicContact CB-CD1 4.18Å; A101-F164 HydrophobicContact CB-CE1 3.71Å; A101-F164 HydrophobicContact CB-CZ 3.94Å; A101-F164 WeakPolarHBondContact O-CE1 3.45Å
102L97.2Very high94.3Very high0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-63.7-51.8177.8-169.477.4000110.4L54 F70 L73 Q74 M77 F90 Y98 I99 R100 A104 M105 Y106L54-L102 HydrophobicContact CD1-CD1 4.32Å; L54-L102 HydrophobicContact CD1-CD2 4.46Å; F70-L102 HydrophobicContact CD2-CD1 3.84Å; F70-L102 HydrophobicContact CE2-CB 3.94Å; F70-L102 HydrophobicContact CE2-CD1 3.76Å; F70-L102 HydrophobicContact CE2-CG 4.49Å; F70-L102 HydrophobicContact CG-CD1 4.42Å; F70-L102 HydrophobicContact CZ-CD1 4.27Å; L73-L102 HydrophobicContact CB-CD1 3.78Å; L73-L102 HydrophobicContact CB-CD2 4.09Å; L73-L102 HydrophobicContact CD1-CD2 4.25Å; Q74-L102 HydrophobicContact CG-CD1 3.92Å; Q74-L102 VanDerWaalsContact OE1-CG 3.29Å; Q74-L102 PolarHBondContact OE1-O 3.38Å; M77-L102 HydrophobicContact SD-CD2 3.97Å; M77-L102 HydrophobicContact SD-CG 3.86Å; F90-L102 HydrophobicContact CE2-CD2 4.48Å; Y98-L102 WeakPolarHBondContact O-CB 3.29Å; Y98-L102 PolarHBondContact O-N 3.18Å; I99-L102 WeakPolarHBondContact O-CB 3.47Å; I99-L102 PolarHBondContact O-N 3.46Å; I99-L102 VanDerWaalsContact O-N 3.07Å; R100-L102 VanDerWaalsContact C-N 3.34Å; R100-L102 PolarHBondContact O-N 3.44Å; L102-A104 PolarHBondContact O-N 2.9Å; L102-M105 PolarHBondContact O-N 3.18Å; L102-Y106 PolarHBondContact O-N 2.85Å
103G97Very high94.4Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-57.5-45.6174.900000112.2I99 R100 M105 Y106 L107I99-G103 PolarHBondContact O-N 3.41Å; R100-G103 PolarHBondContact O-N 2.79Å; G103-M105 PolarHBondContact O-N 3.35Å; G103-Y106 PolarHBondContact O-N 3.36Å; G103-L107 VanDerWaalsContact O-CB 3.25Å; G103-L107 WeakPolarHBondContact O-CB 3.44Å; G103-L107 PolarHBondContact O-N 2.88Å
104A97.9Very high94.8Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-60-46.3178.300000112.9R100 A101 L102 L107 R108 L120 L123 F164 L168R100-A104 VanDerWaalsContact O-CB 3.29Å; R100-A104 WeakPolarHBondContact O-CB 3.33Å; R100-A104 PolarHBondContact O-N 3.38Å; A101-A104 PolarHBondContact O-N 2.77Å; L102-A104 PolarHBondContact O-N 2.9Å; A104-L107 PolarHBondContact O-N 2.8Å; A104-R108 WeakPolarHBondContact O-CB 3.48Å; A104-R108 PolarHBondContact O-N 3.4Å; A104-L120 HydrophobicContact CB-CD2 3.55Å; A104-L123 HydrophobicContact CB-CD1 4.04Å; A104-F164 HydrophobicContact CB-CE1 4.33Å; A104-L168 HydrophobicContact CB-CD1 4.06Å
105M97.6Very high95.4Very high0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-64.8-43.4176.9-177.177.2-176.100111.3F70 Q74 A101 L102 G103 R108 L109 F164 L168 F174 C175 I177 L179F70-M105 HydrophobicContact CE1-CB 4.42Å; F70-M105 HydrophobicContact CE1-CG 4.33Å; F70-M105 HydrophobicContact CZ-CB 4.04Å; F70-M105 HydrophobicContact CZ-CG 4.44Å; Q74-M105 HydrophobicContact CG-CG 4.19Å; A101-M105 WeakPolarHBondContact O-CB 3.32Å; A101-M105 PolarHBondContact O-N 3.11Å; L102-M105 PolarHBondContact O-N 3.18Å; G103-M105 PolarHBondContact O-N 3.35Å; M105-R108 PolarHBondContact O-N 3.4Å; M105-L109 HydrophobicContact CE-CD1 4.27Å; M105-L109 HydrophobicContact CG-CD1 4.37Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.24Å; M105-L109 PolarHBondContact O-N 2.66Å; M105-F164 HydrophobicContact CB-CZ 4.25Å; M105-L168 HydrophobicContact CB-CD2 4.49Å; M105-L168 HydrophobicContact CE-CD2 4.49Å; M105-L168 HydrophobicContact CG-CD2 4.46Å; M105-L168 HydrophobicContact SD-CD2 3.16Å; M105-L168 WeakPolarHBondContact SD-CD2 3.34Å; M105-F174 HydrophobicContact CE-CD1 4.46Å; M105-F174 HydrophobicContact SD-CD1 3.98Å; M105-C175 HydrophobicContact CE-CB 4.13Å; M105-I177 HydrophobicContact CE-CB 4.08Å; M105-I177 HydrophobicContact CE-CD1 3.91Å; M105-I177 HydrophobicContact CE-CG1 4.47Å; M105-L179 HydrophobicContact CE-CD2 3.72Å; M105-L179 HydrophobicContact SD-CD2 4.44Å
106Y98Very high95.9Very high5 Ų515.9 Ų15.92%0.028%0.082CC..Hα-helixtrans-63.7-44.4178.4178.1-96.7000111.8M77 L78 Q81 P82 V87 L102 G103 R108 L109 T110 F111M77-Y106 VanDerWaalsContact C-CE2 3.5Å; M77-Y106 HydrophobicContact CB-CD2 3.36Å; M77-Y106 HydrophobicContact CB-CE2 3.58Å; M77-Y106 HydrophobicContact CB-CG 4.06Å; M77-Y106 HydrophobicContact CE-CD1 3.74Å; M77-Y106 HydrophobicContact CE-CD2 4.16Å; M77-Y106 HydrophobicContact CE-CE1 4.39Å; M77-Y106 HydrophobicContact CE-CG 3.6Å; M77-Y106 HydrophobicContact CG-CD2 4.38Å; M77-Y106 WeakPolarHBondContact O-CE2 3.35Å; M77-Y106 HydrophobicContact SD-CD2 4.3Å; M77-Y106 HydrophobicContact SD-CG 4.08Å; L78-Y106 HydrophobicContact CD2-CD2 4.19Å; L78-Y106 HydrophobicContact CD2-CE2 3.89Å; L78-Y106 HydrophobicContact CG-CD2 4.44Å; L78-Y106 HydrophobicContact CG-CE2 4.32Å; Q81-Y106 WeakPolarHBondContact CA-OH 3.48Å; Q81-Y106 WeakPolarHBondContact CG-OH 3.29Å; P82-Y106 HydrophobicContact CG-CE1 4.23Å; V87-Y106 HydrophobicContact CB-CD1 4.36Å; V87-Y106 HydrophobicContact CG1-CD1 3.82Å; V87-Y106 HydrophobicContact CG1-CE1 4.49Å; V87-Y106 HydrophobicContact CG2-CD1 3.53Å; V87-Y106 HydrophobicContact CG2-CE1 3.51Å; L102-Y106 PolarHBondContact O-N 2.85Å; G103-Y106 PolarHBondContact O-N 3.36Å; Y106-R108 VanDerWaalsContact C-N 3.34Å; Y106-R108 PolarHBondContact O-N 2.75Å; Y106-L109 PolarHBondContact O-N 3.03Å; Y106-L109 VanDerWaalsContact O-N 3.17Å; Y106-T110 HydrophobicContact CD2-CG2 4.2Å; Y106-T110 HydrophobicContact CE1-CG2 4.26Å; Y106-T110 WeakPolarHBondContact CE1-OG1 3.4Å; Y106-T110 HydrophobicContact CE2-CG2 3.73Å; Y106-T110 PolarHBondContact O-N 3.12Å; Y106-T110 VanDerWaalsContact O-N 3.08Å; Y106-T110 PolarHBondContact O-OG1 3.43Å; Y106-F111 HydrophobicContact CE1-CE2 4.37Å
107L97.3Very high96.1Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-58.9-45.8176.2-170.2149.2000110.7V87 I91 G103 A104 L109 T110 F111 V116 Y119 L120V87-L107 HydrophobicContact CG1-CB 4.05Å; V87-L107 HydrophobicContact CG1-CD1 4.35Å; I91-L107 HydrophobicContact CD1-CB 4.02Å; I91-L107 HydrophobicContact CD1-CD1 3.36Å; I91-L107 HydrophobicContact CD1-CG 4.25Å; G103-L107 VanDerWaalsContact O-CB 3.25Å; G103-L107 WeakPolarHBondContact O-CB 3.44Å; G103-L107 PolarHBondContact O-N 2.88Å; A104-L107 PolarHBondContact O-N 2.8Å; L107-L109 PolarHBondContact O-N 3.42Å; L107-T110 PolarHBondContact O-N 3.41Å; L107-F111 HydrophobicContact CB-CD2 4.48Å; L107-F111 HydrophobicContact CD1-CD1 3.87Å; L107-F111 HydrophobicContact CD1-CE1 3.76Å; L107-F111 HydrophobicContact CD1-CG 4.38Å; L107-F111 HydrophobicContact CD1-CZ 4.21Å; L107-F111 HydrophobicContact CD2-CB 4.21Å; L107-F111 HydrophobicContact CD2-CD1 4.34Å; L107-F111 HydrophobicContact CD2-CG 4.3Å; L107-F111 HydrophobicContact CG-CB 4.13Å; L107-F111 HydrophobicContact CG-CD1 3.7Å; L107-F111 HydrophobicContact CG-CD2 4.03Å; L107-F111 HydrophobicContact CG-CE1 3.98Å; L107-F111 HydrophobicContact CG-CE2 4.32Å; L107-F111 HydrophobicContact CG-CG 3.71Å; L107-F111 HydrophobicContact CG-CZ 4.28Å; L107-F111 WeakPolarHBondContact O-CB 3.5Å; L107-F111 PolarHBondContact O-N 3.12Å; L107-V116 HydrophobicContact CD2-CB 4.28Å; L107-V116 HydrophobicContact CD2-CG2 3.95Å; L107-Y119 HydrophobicContact CD1-CD2 3.73Å; L107-Y119 HydrophobicContact CD1-CG 3.88Å; L107-L120 HydrophobicContact CD2-CD2 4.46Å; L107-L120 HydrophobicContact CD2-CG 4.26Å
108R97.1Very high96.1Very high12 Ų1218.1 Ų18.15%0.0459%0.091CC..Hα-helixtrans-57.1-36.1176.717857.3-17486.44.1113.5A104 M105 Y106 L120 L168 L179 P180A104-R108 WeakPolarHBondContact O-CB 3.48Å; A104-R108 PolarHBondContact O-N 3.4Å; M105-R108 PolarHBondContact O-N 3.4Å; Y106-R108 VanDerWaalsContact C-N 3.34Å; Y106-R108 PolarHBondContact O-N 2.75Å; R108-L120 HydrophobicContact CB-CD1 4.19Å; R108-L168 HydrophobicContact CB-CB 4.48Å; R108-L168 HydrophobicContact CB-CD1 4.47Å; R108-L168 WeakPolarHBondContact CD-O 3.47Å; R108-L168 HydrophobicContact CG-CB 4.12Å; R108-L168 HydrophobicContact CG-CD2 4.39Å; R108-L168 PolarHBondContact NE-O 3.2Å; R108-L179 HydrophobicContact CG-CD1 4.48Å; R108-L179 HydrophobicContact CG-CD2 4.47Å; R108-P180 VanDerWaalsContact CZ-O 3.3Å; R108-P180 PolarHBondContact NH1-O 2.77Å; R108-P180 PolarHBondContact NH2-O 2.9Å
109L96.9Very high96.1Very high0 Ų020.5 Ų20.50%010%0.101CC..Hα-helixtrans-78.4-33-178.4-70.5174.2000112.7L20 L78 M105 Y106 L107 I177 L179 P180L20-L109 HydrophobicContact CD1-CB 3.95Å; L78-L109 HydrophobicContact CD1-CD1 4.48Å; M105-L109 HydrophobicContact CE-CD1 4.27Å; M105-L109 HydrophobicContact CG-CD1 4.37Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.24Å; M105-L109 PolarHBondContact O-N 2.66Å; Y106-L109 PolarHBondContact O-N 3.03Å; Y106-L109 VanDerWaalsContact O-N 3.17Å; L107-L109 PolarHBondContact O-N 3.42Å; L109-I177 HydrophobicContact CD1-CD1 4.22Å; L109-I177 HydrophobicContact CD1-CG2 4.48Å; L109-I177 HydrophobicContact CD2-CG2 3.73Å; L109-L179 HydrophobicContact CD2-CD2 3.65Å; L109-P180 HydrophobicContact CD2-CG 4.49Å
110T96.2Very high96.1Very high21 Ų2120.5 Ų20.513%0.12910%0.101CC..Hα-helixtrans-110.9-33.3-164.754.90000114.5V12 L78 Y106 L107V12-T110 HydrophobicContact CG1-CG2 4.18Å; V12-T110 HydrophobicContact CG2-CG2 4.16Å; L78-T110 HydrophobicContact CD2-CG2 3.69Å; Y106-T110 HydrophobicContact CD2-CG2 4.2Å; Y106-T110 HydrophobicContact CE1-CG2 4.26Å; Y106-T110 WeakPolarHBondContact CE1-OG1 3.4Å; Y106-T110 HydrophobicContact CE2-CG2 3.73Å; Y106-T110 PolarHBondContact O-N 3.12Å; Y106-T110 VanDerWaalsContact O-N 3.08Å; Y106-T110 PolarHBondContact O-OG1 3.43Å; L107-T110 PolarHBondContact O-N 3.41Å
111F95.7Very high95.9Very high21 Ų2120.9 Ų20.99%0.09210%0.103CC..SBendtrans-83173.2-169.6-76.5-141.3000112.7K13 K84 V87 Y106 L107 E115 V116K13-F111 PolarHBondContact NZ-O 3.3Å; K84-F111 HydrophobicContact CB-CE1 4.35Å; K84-F111 HydrophobicContact CB-CZ 3.97Å; K84-F111 HydrophobicContact CD-CD1 4.47Å; K84-F111 HydrophobicContact CD-CE1 3.7Å; K84-F111 HydrophobicContact CD-CZ 4.19Å; K84-F111 HydrophobicContact CG-CE1 3.58Å; K84-F111 HydrophobicContact CG-CZ 3.67Å; V87-F111 HydrophobicContact CB-CZ 4.18Å; V87-F111 HydrophobicContact CG1-CE2 4.31Å; V87-F111 HydrophobicContact CG1-CZ 4.13Å; Y106-F111 HydrophobicContact CE1-CE2 4.37Å; L107-F111 HydrophobicContact CB-CD2 4.48Å; L107-F111 HydrophobicContact CD1-CD1 3.87Å; L107-F111 HydrophobicContact CD1-CE1 3.76Å; L107-F111 HydrophobicContact CD1-CG 4.38Å; L107-F111 HydrophobicContact CD1-CZ 4.21Å; L107-F111 HydrophobicContact CD2-CB 4.21Å; L107-F111 HydrophobicContact CD2-CD1 4.34Å; L107-F111 HydrophobicContact CD2-CG 4.3Å; L107-F111 HydrophobicContact CG-CB 4.13Å; L107-F111 HydrophobicContact CG-CD1 3.7Å; L107-F111 HydrophobicContact CG-CD2 4.03Å; L107-F111 HydrophobicContact CG-CE1 3.98Å; L107-F111 HydrophobicContact CG-CE2 4.32Å; L107-F111 HydrophobicContact CG-CG 3.71Å; L107-F111 HydrophobicContact CG-CZ 4.28Å; L107-F111 WeakPolarHBondContact O-CB 3.5Å; L107-F111 PolarHBondContact O-N 3.12Å; F111-E115 HydrophobicContact CB-CB 4.17Å; F111-E115 HydrophobicContact CD1-CB 3.95Å; F111-V116 HydrophobicContact CB-CG2 4.22Å
112S94.3Very high95.6Very high47 Ų4724.7 Ų24.733%0.32913%0.128SC..  trans-70.8157.5172.869.40000111.5I114 E115 V116S112-I114 PolarHBondContact O-N 2.97Å; S112-E115 WeakPolarHBondContact CB-OE2 3.41Å; S112-E115 PolarHBondContact N-OE2 3.05Å; S112-E115 VanDerWaalsContact N-OE2 3.09Å; S112-E115 PolarHBondContact O-N 3.37Å; S112-E115 VanDerWaalsContact OG-CD 3.24Å; S112-E115 VanDerWaalsContact OG-CG 3.25Å; S112-E115 WeakPolarHBondContact OG-CG 3.24Å; S112-E115 PolarHBondContact OG-N 3.06Å; S112-E115 PolarHBondContact OG-OE2 2.93Å; S112-V116 WeakPolarHBondContact O-CG2 3.33Å; S112-V116 PolarHBondContact O-N 2.84Å
113S93.6Very high95.5Very high20 Ų2025.3 Ų25.314%0.1413%0.132CC..Hα-helixtrans-60.1-36-178.6-57.90000112.8V116 Y117 Q183S113-V116 PolarHBondContact O-N 3.45Å; S113-Y117 WeakPolarHBondContact O-CD2 3.13Å; S113-Y117 PolarHBondContact O-N 2.61Å; S113-Q183 PolarHBondContact OG-N 3.22Å
114I94.8Very high95.2Very high49 Ų4926.2 Ų26.225%0.25114%0.136SC..Hα-helixtrans-62-52177.4-57.8171.2000110.1S112 V116 Y117 Q118 L188 Q193 L194S112-I114 PolarHBondContact O-N 2.97Å; I114-V116 VanDerWaalsContact C-N 3.33Å; I114-V116 PolarHBondContact O-N 3.4Å; I114-Y117 PolarHBondContact O-N 3.47Å; I114-Q118 HydrophobicContact CG2-CG 4.5Å; I114-Q118 WeakPolarHBondContact O-CG 3.29Å; I114-Q118 PolarHBondContact O-N 3.25Å; I114-L188 HydrophobicContact CG1-CD2 4.25Å; I114-Q193 HydrophobicContact CD1-CB 4.07Å; I114-Q193 HydrophobicContact CD1-CG 4.41Å; I114-Q193 HydrophobicContact CG1-CB 4.39Å; I114-L194 HydrophobicContact CG2-CD2 3.83Å; I114-L194 HydrophobicContact CG2-CG 4.38Å
115E95.3Very high94.9Very high44 Ų4429.2 Ų29.221%0.20615%0.152CC..Hα-helixtrans-65.3-37.3-179.2-66166.5126.900112K84 F111 S112 Y117 Q118 Y119K84-E115 WeakPolarHBondContact CE-OE1 3.5Å; K84-E115 IonicContact NZ-OE1 3.76Å; K84-E115 PolarHBondContact NZ-OE1 2.79Å; F111-E115 HydrophobicContact CB-CB 4.17Å; F111-E115 HydrophobicContact CD1-CB 3.95Å; S112-E115 WeakPolarHBondContact CB-OE2 3.41Å; S112-E115 PolarHBondContact N-OE2 3.05Å; S112-E115 VanDerWaalsContact N-OE2 3.09Å; S112-E115 PolarHBondContact O-N 3.37Å; S112-E115 VanDerWaalsContact OG-CD 3.24Å; S112-E115 VanDerWaalsContact OG-CG 3.25Å; S112-E115 WeakPolarHBondContact OG-CG 3.24Å; S112-E115 PolarHBondContact OG-N 3.06Å; S112-E115 PolarHBondContact OG-OE2 2.93Å; E115-Y117 VanDerWaalsContact C-N 3.29Å; E115-Y117 PolarHBondContact O-N 3.45Å; E115-Q118 PolarHBondContact O-N 3.24Å; E115-Y119 HydrophobicContact CB-CD2 4.13Å; E115-Y119 HydrophobicContact CB-CE2 4.13Å; E115-Y119 HydrophobicContact CG-CE2 4.45Å; E115-Y119 WeakPolarHBondContact O-CD2 3.23Å; E115-Y119 PolarHBondContact O-N 3.07Å
116V96.4Very high94.7Very high1 Ų130 Ų301%0.00616%0.156CC..Hα-helixtrans-53.9-49.5174.7170.30000110.5L107 F111 S112 S113 I114 L120 L169 L182L107-V116 HydrophobicContact CD2-CB 4.28Å; L107-V116 HydrophobicContact CD2-CG2 3.95Å; F111-V116 HydrophobicContact CB-CG2 4.22Å; S112-V116 WeakPolarHBondContact O-CG2 3.33Å; S112-V116 PolarHBondContact O-N 2.84Å; S113-V116 PolarHBondContact O-N 3.45Å; I114-V116 VanDerWaalsContact C-N 3.33Å; I114-V116 PolarHBondContact O-N 3.4Å; V116-L120 HydrophobicContact CG1-CD1 3.75Å; V116-L120 HydrophobicContact CG1-CG 4.35Å; V116-L120 WeakPolarHBondContact O-CB 2.89Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 2.85Å; V116-L169 HydrophobicContact CG1-CD2 3.78Å; V116-L182 HydrophobicContact CB-CD1 3.97Å; V116-L182 HydrophobicContact CG1-CD1 3.82Å; V116-L182 HydrophobicContact CG1-CD2 4.22Å; V116-L182 HydrophobicContact CG2-CD1 4.27Å
117Y95.3Very high94.4Very high22 Ų2232.5 Ų32.59%0.08617%0.166CC..Hα-helixtrans-65.4-47.4177.4-76.6-54.3000112.3S113 I114 E115 Y119 E121 L169 L182 Q183 R185 L188 L194S113-Y117 WeakPolarHBondContact O-CD2 3.13Å; S113-Y117 PolarHBondContact O-N 2.61Å; I114-Y117 PolarHBondContact O-N 3.47Å; E115-Y117 VanDerWaalsContact C-N 3.29Å; E115-Y117 PolarHBondContact O-N 3.45Å; Y117-Y119 VanDerWaalsContact C-N 3.3Å; Y117-Y119 PolarHBondContact O-N 2.94Å; Y117-E121 WeakPolarHBondContact CB-OE1 3.43Å; Y117-E121 HydrophobicContact CD1-CG 4.45Å; Y117-E121 WeakPolarHBondContact CD1-OE1 3.48Å; Y117-E121 VanDerWaalsContact O-CB 3.3Å; Y117-E121 WeakPolarHBondContact O-CB 3.02Å; Y117-E121 WeakPolarHBondContact O-CG 3.44Å; Y117-E121 PolarHBondContact O-N 3.39Å; Y117-E121 VanDerWaalsContact O-N 3.1Å; Y117-L169 HydrophobicContact CD1-CD2 4.01Å; Y117-L169 HydrophobicContact CE1-CD2 3.94Å; Y117-L182 HydrophobicContact CE1-CD2 3.99Å; Y117-L182 HydrophobicContact CE2-CD1 4.49Å; Y117-L182 HydrophobicContact CE2-CD2 4.07Å; Y117-L182 HydrophobicContact CE2-CG 4.08Å; Y117-L182 WeakPolarHBondContact OH-CD2 3.45Å; Y117-Q183 VanDerWaalsContact CE2-O 3.3Å; Y117-Q183 WeakPolarHBondContact CE2-O 3.33Å; Y117-Q183 PolarHBondContact OH-O 2.66Å; Y117-R185 HydrophobicContact CE1-CB 4.22Å; Y117-R185 HydrophobicContact CE2-CB 4.2Å; Y117-R185 PolarHBondContact OH-N 3.33Å; Y117-L188 HydrophobicContact CD2-CD1 3.6Å; Y117-L188 HydrophobicContact CE2-CD1 3.67Å; Y117-L194 HydrophobicContact CD2-CD1 3.67Å; Y117-L194 HydrophobicContact CG-CD1 3.96Å
118Q93.4Very high94.3Very high98 Ų9835.9 Ų35.946%0.45818%0.179SC..Hα-helixtrans-56.9-39.7-179.7-73177.2-5.900113.7I114 E115 P122 L194I114-Q118 HydrophobicContact CG2-CG 4.5Å; I114-Q118 WeakPolarHBondContact O-CG 3.29Å; I114-Q118 PolarHBondContact O-N 3.25Å; E115-Q118 PolarHBondContact O-N 3.24Å; Q118-P122 WeakPolarHBondContact O-CD 3.46Å; Q118-L194 HydrophobicContact CG-CD2 3.95Å
119Y95.3Very high94.2Very high65 Ų6541.1 Ų41.126%0.25520%0.202SC..Hα-helixtrans-94.3-28.5-176-67.3-66.2000114.3I88 L107 E115 Y117I88-Y119 HydrophobicContact CD1-CE1 3.83Å; I88-Y119 HydrophobicContact CD1-CE2 4.2Å; I88-Y119 WeakPolarHBondContact CD1-OH 3.43Å; I88-Y119 HydrophobicContact CG1-CD1 4.31Å; I88-Y119 HydrophobicContact CG1-CE1 3.88Å; I88-Y119 HydrophobicContact CG1-CE2 4.42Å; I88-Y119 HydrophobicContact CG2-CE1 4.2Å; L107-Y119 HydrophobicContact CD1-CD2 3.73Å; L107-Y119 HydrophobicContact CD1-CG 3.88Å; E115-Y119 HydrophobicContact CB-CD2 4.13Å; E115-Y119 HydrophobicContact CB-CE2 4.13Å; E115-Y119 HydrophobicContact CG-CE2 4.45Å; E115-Y119 WeakPolarHBondContact O-CD2 3.23Å; E115-Y119 PolarHBondContact O-N 3.07Å; Y117-Y119 VanDerWaalsContact C-N 3.3Å; Y117-Y119 PolarHBondContact O-N 2.94Å
120L95.1Very high94Very high0 Ų041.2 Ų41.20%020%0.202CC..Hα-helixtrans-86.6-32.7-178.5-65.3-169.9000113A104 L107 R108 V116 L123 V165 L168 L169A104-L120 HydrophobicContact CB-CD2 3.55Å; L107-L120 HydrophobicContact CD2-CD2 4.46Å; L107-L120 HydrophobicContact CD2-CG 4.26Å; R108-L120 HydrophobicContact CB-CD1 4.19Å; V116-L120 HydrophobicContact CG1-CD1 3.75Å; V116-L120 HydrophobicContact CG1-CG 4.35Å; V116-L120 WeakPolarHBondContact O-CB 2.89Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 2.85Å; L120-L123 HydrophobicContact CD2-CD1 4.04Å; L120-L123 WeakPolarHBondContact O-CA 3.11Å; L120-L123 WeakPolarHBondContact O-CB 3.29Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-V165 HydrophobicContact CB-CG1 3.89Å; L120-V165 WeakPolarHBondContact O-CG1 3.34Å; L120-L168 HydrophobicContact CD1-CB 4.4Å; L120-L168 HydrophobicContact CD1-CD1 4.39Å; L120-L169 HydrophobicContact CB-CD2 4.32Å; L120-L169 HydrophobicContact CD1-CD2 3.92Å; L120-L169 HydrophobicContact CD1-CG 4.43Å
121E92.6Very high93.9Very high33 Ų3346 Ų4615%0.15422%0.218CC..G310 helixtrans-62.7-39.1-175.9-70.8164.5-172.400115.1Y117 L123 L124 R185Y117-E121 WeakPolarHBondContact CB-OE1 3.43Å; Y117-E121 HydrophobicContact CD1-CG 4.45Å; Y117-E121 WeakPolarHBondContact CD1-OE1 3.48Å; Y117-E121 VanDerWaalsContact O-CB 3.3Å; Y117-E121 WeakPolarHBondContact O-CB 3.02Å; Y117-E121 WeakPolarHBondContact O-CG 3.44Å; Y117-E121 PolarHBondContact O-N 3.39Å; Y117-E121 VanDerWaalsContact O-N 3.1Å; E121-L123 PolarHBondContact O-N 3.4Å; E121-L123 VanDerWaalsContact O-N 3.14Å; E121-L124 HydrophobicContact CG-CD1 4.46Å; E121-L124 VanDerWaalsContact O-CB 3.29Å; E121-L124 WeakPolarHBondContact O-CB 3.37Å; E121-L124 PolarHBondContact O-N 3.23Å; E121-R185 VanDerWaalsContact CD-CZ 3.45Å; E121-R185 IonicContact OE1-CZ 3.37Å; E121-R185 IonicContact OE1-NE 2.97Å; E121-R185 IonicContact OE1-NH1 3.97Å; E121-R185 PolarHBondContact OE1-NH1 3.4Å; E121-R185 IonicContact OE1-NH2 2.74Å; E121-R185 IonicContact OE2-CZ 3.35Å; E121-R185 IonicContact OE2-NH1 3.08Å; E121-R185 PolarHBondContact OE2-NH1 3.1Å; E121-R185 IonicContact OE2-NH2 2.81Å; E121-R185 PolarHBondContact OE2-NH2 3.23Å
122P91.8Very high93.7Very high81 Ų8146.4 Ų46.453%0.52622%0.219SC..G310 helixtrans-58.1-26.6172.9-25.836.4000112.8Q118 L124 N125Q118-P122 WeakPolarHBondContact O-CD 3.46Å; P122-L124 VanDerWaalsContact C-N 3.27Å; P122-L124 PolarHBondContact O-N 2.96Å; P122-N125 PolarHBondContact O-N 2.92Å
123L93.1Very high93.3Very high13 Ų1344.4 Ų44.47%0.06821%0.205CC..G310 helixtrans-76.1-12.8178-50.9-177.2000113.3I91 R100 A104 L120 E121 N125 D126 V165I91-L123 HydrophobicContact CG2-CD1 3.78Å; I91-L123 HydrophobicContact CG2-CD2 3.9Å; I91-L123 HydrophobicContact CG2-CG 4.19Å; R100-L123 HydrophobicContact CG-CD1 4.3Å; R100-L123 HydrophobicContact CG-CD2 4.3Å; A104-L123 HydrophobicContact CB-CD1 4.04Å; L120-L123 HydrophobicContact CD2-CD1 4.04Å; L120-L123 WeakPolarHBondContact O-CA 3.11Å; L120-L123 WeakPolarHBondContact O-CB 3.29Å; L120-L123 PolarHBondContact O-N 3.49Å; E121-L123 PolarHBondContact O-N 3.4Å; E121-L123 VanDerWaalsContact O-N 3.14Å; L123-N125 PolarHBondContact O-N 3.01Å; L123-D126 WeakPolarHBondContact O-CB 3.24Å; L123-D126 PolarHBondContact O-N 3.13Å; L123-V165 HydrophobicContact CB-CG1 4.44Å; L123-V165 HydrophobicContact CB-CG2 3.77Å; L123-V165 HydrophobicContact CD1-CG2 4.18Å
124L92.4Very high92.5Very high19 Ų1944.3 Ų44.310%0.09920%0.204CC..G310 helixtrans-67.5-12.1171.2-65.5169.7000112.4E121 P122 D162 V165 D166 L169 R197E121-L124 HydrophobicContact CG-CD1 4.46Å; E121-L124 VanDerWaalsContact O-CB 3.29Å; E121-L124 WeakPolarHBondContact O-CB 3.37Å; E121-L124 PolarHBondContact O-N 3.23Å; P122-L124 VanDerWaalsContact C-N 3.27Å; P122-L124 PolarHBondContact O-N 2.96Å; L124-D162 WeakPolarHBondContact CD2-O 3.03Å; L124-D162 VanDerWaalsContact O-CB 3.25Å; L124-D162 WeakPolarHBondContact O-CB 3.24Å; L124-V165 HydrophobicContact CD2-CB 4.01Å; L124-V165 HydrophobicContact CD2-CG1 3.76Å; L124-V165 HydrophobicContact CG-CG1 4.03Å; L124-D166 HydrophobicContact CD2-CB 4.1Å; L124-L169 HydrophobicContact CD1-CD1 4.28Å; L124-R197 VanDerWaalsContact CD1-NH2 3.29Å
125N91.3Very high91.4Very high62 Ų6247.9 Ų47.933%0.33222%0.218SC..G310 helixtrans-93.50.5171.8-55.1-46.4000112.5P122 L123 Y127 L200P122-N125 PolarHBondContact O-N 2.92Å; L123-N125 PolarHBondContact O-N 3.01Å; N125-Y127 WeakPolarHBondContact O-CD2 3.47Å; N125-Y127 WeakPolarHBondContact O-CE2 3.34Å; N125-L200 VanDerWaalsContact ND2-CD1 3.33Å; N125-L200 WeakPolarHBondContact ND2-CD1 2.94Å
126D92.6Very high89.9Confident16 Ų1653.3 Ų53.39%0.08624%0.243CC..  trans-90104.8175.8-172.2-16.1000109.8R100 L123 R128 M161 D162R100-D126 WeakPolarHBondContact CD-OD2 3.43Å; R100-D126 IonicContact CZ-OD2 3.6Å; R100-D126 IonicContact NE-OD2 3.53Å; R100-D126 IonicContact NH1-OD2 3.86Å; R100-D126 PolarHBondContact NH1-OD2 3Å; L123-D126 WeakPolarHBondContact O-CB 3.24Å; L123-D126 PolarHBondContact O-N 3.13Å; D126-R128 VanDerWaalsContact OD1-CB 3.23Å; D126-R128 WeakPolarHBondContact OD1-CB 3.37Å; D126-R128 WeakPolarHBondContact OD1-CG 3.42Å; D126-R128 IonicContact OD1-CZ 2.85Å; D126-R128 PolarHBondContact OD1-N 2.86Å; D126-R128 IonicContact OD1-NE 2.65Å; D126-R128 PolarHBondContact OD1-NE 3.1Å; D126-R128 IonicContact OD2-CZ 2.84Å; D126-R128 IonicContact OD2-NE 2.76Å; D126-R128 PolarHBondContact OD2-NE 3.41Å; D126-R128 VanDerWaalsContact OD2-NE 3.08Å; D126-R128 IonicContact OD2-NH2 3.21Å; D126-R128 PolarHBondContact OD2-NH2 3.27Å; D126-M161 HydrophobicContact CB-CB 4.09Å; D126-M161 HydrophobicContact CB-CG 3.76Å; D126-M161 VanDerWaalsContact O-CB 3.29Å; D126-M161 WeakPolarHBondContact O-CB 3.42Å; D126-D162 PolarHBondContact O-N 2.96Å
127Y92.9Very high87.8Confident59 Ų5954.2 Ų54.223%0.23125%0.253CS..  trans-94.416.4-178.8-56.4-69.7000113.7N125 K129 H160 D162 P227N125-Y127 WeakPolarHBondContact O-CD2 3.47Å; N125-Y127 WeakPolarHBondContact O-CE2 3.34Å; Y127-K129 PolarHBondContact O-N 3.06Å; Y127-H160 PolarHBondContact O-ND1 3.37Å; Y127-D162 HydrophobicContact CD1-CB 4.28Å; Y127-D162 VanDerWaalsContact CD1-OD2 3.31Å; Y127-D162 WeakPolarHBondContact CD1-OD2 3.35Å; Y127-D162 HydrophobicContact CE1-CB 4.27Å; Y127-D162 VanDerWaalsContact CE1-OD2 3.3Å; Y127-D162 WeakPolarHBondContact CE1-OD2 3.46Å; Y127-P227 HydrophobicContact CD2-CB 3.87Å; Y127-P227 HydrophobicContact CD2-CG 3.69Å; Y127-P227 HydrophobicContact CE2-CB 4.18Å; Y127-P227 HydrophobicContact CE2-CG 3.73Å; Y127-P227 HydrophobicContact CG-CB 4.17Å; Y127-P227 HydrophobicContact CG-CG 4.49Å
128R94.1Very high85.4Confident71 Ų7157.1 Ų57.127%0.26828%0.276SS..PPolyproline II helixtrans-67135.6-178.4-68.6179.9-58.3166.2-0.9111E94 K97 D126 L130 M161E94-R128 PolarHBondContact O-NH1 3.46Å; K97-R128 HydrophobicContact CD-CB 4.39Å; D126-R128 VanDerWaalsContact OD1-CB 3.23Å; D126-R128 WeakPolarHBondContact OD1-CB 3.37Å; D126-R128 WeakPolarHBondContact OD1-CG 3.42Å; D126-R128 IonicContact OD1-CZ 2.85Å; D126-R128 PolarHBondContact OD1-N 2.86Å; D126-R128 IonicContact OD1-NE 2.65Å; D126-R128 PolarHBondContact OD1-NE 3.1Å; D126-R128 IonicContact OD2-CZ 2.84Å; D126-R128 IonicContact OD2-NE 2.76Å; D126-R128 PolarHBondContact OD2-NE 3.41Å; D126-R128 VanDerWaalsContact OD2-NE 3.08Å; D126-R128 IonicContact OD2-NH2 3.21Å; D126-R128 PolarHBondContact OD2-NH2 3.27Å; R128-L130 PolarHBondContact O-N 2.87Å; R128-M161 PolarHBondContact O-N 3.42Å
129K94.6Very high82.9Confident121 Ų12161 Ų6153%0.52630%0.295SS..EExtended strand (participates in β ladder)trans-68.5121.3178.6-64171.9172.5-175.90111K97 Y127 L158 M159K97-K129 WeakPolarHBondContact CD-O 3.46Å; K97-K129 WeakPolarHBondContact CE-O 3.5Å; K97-K129 PolarHBondContact NZ-O 3.43Å; Y127-K129 PolarHBondContact O-N 3.06Å; K129-L158 HydrophobicContact CB-CG 4.41Å; K129-L158 HydrophobicContact CD-CD1 3.83Å; K129-L158 HydrophobicContact CG-CD1 4.19Å; K129-L158 HydrophobicContact CG-CD2 4.23Å; K129-L158 HydrophobicContact CG-CG 4.35Å; K129-M159 CarbonylContact C-O 3.53Å
130L94.1Very high79.9Confident2 Ų264.6 Ų64.61%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-96.5151.2167.5-62.4172.8000110.4K97 Y98 A101 R128 M159 M161 F164K97-L130 HydrophobicContact CB-CD2 3.95Å; K97-L130 HydrophobicContact CD-CD2 3.87Å; K97-L130 HydrophobicContact CG-CD2 3.68Å; Y98-L130 HydrophobicContact CD1-CD2 4.06Å; Y98-L130 HydrophobicContact CE1-CD2 3.93Å; A101-L130 HydrophobicContact CB-CD1 4.46Å; R128-L130 PolarHBondContact O-N 2.87Å; L130-M159 CarbonylContact C-O 3.59Å; L130-M159 WeakPolarHBondContact CA-O 3.47Å; L130-M159 WeakPolarHBondContact CB-O 3.38Å; L130-M159 PolarHBondContact N-O 3.03Å; L130-M159 PolarHBondContact O-N 3.14Å; L130-M159 VanDerWaalsContact O-N 3.12Å; L130-M159 VanDerWaalsContact O-O 3.07Å; L130-M161 HydrophobicContact CD1-CB 4.21Å; L130-M161 HydrophobicContact CD1-CE 4.01Å; L130-M161 HydrophobicContact CD1-SD 4.05Å; L130-M161 HydrophobicContact CD2-CE 4.11Å; L130-M161 HydrophobicContact CG-CE 4.47Å; L130-F164 HydrophobicContact CD1-CB 3.91Å; L130-F164 HydrophobicContact CD1-CG 4.15Å
131R92.4Very high77.1Confident121 Ų12175.2 Ų75.246%0.45736%0.357SS..EExtended strand (participates in β ladder)trans-90.9114.5166.2-75.4-174.6-71.7-114.2-4.5107.2R55 F56 V57 Y98 F156R55-R131 PolarHBondContact O-NE 2.83Å; R55-R131 PolarHBondContact O-NH2 3.17Å; F56-R131 CarbonylContact C-O 3.59Å; F56-R131 VanDerWaalsContact CA-O 3.24Å; F56-R131 WeakPolarHBondContact CA-O 3.48Å; F56-R131 HydrophobicContact CB-CB 3.92Å; F56-R131 WeakPolarHBondContact CB-O 3.29Å; V57-R131 PolarHBondContact N-O 2.94Å; Y98-R131 PolarHBondContact OH-N 2.98Å; R131-F156 HydrophobicContact CB-CD1 4.4Å
132W92.2Very high74.3Confident31 Ų3183 Ų8312%0.11739%0.391CS..EExtended strand (participates in β ladder)trans-93.3134.5175.8176.9-113.4000110V57 F156 E157 M159 F174 C175V57-W132 HydrophobicContact CB-CE3 4.4Å; V57-W132 HydrophobicContact CG1-CE3 4.39Å; V57-W132 HydrophobicContact CG1-CZ3 4.19Å; V57-W132 CarbonylContact O-C 3.55Å; V57-W132 WeakPolarHBondContact O-CA 3.21Å; W132-F156 CarbonylContact O-C 3.5Å; W132-F156 VanDerWaalsContact O-CA 3.22Å; W132-F156 WeakPolarHBondContact O-CA 3.34Å; W132-E157 HydrophobicContact CB-CB 4.25Å; W132-E157 PolarHBondContact N-O 3.2Å; W132-E157 PolarHBondContact O-N 2.87Å; W132-M159 HydrophobicContact CB-CB 3.96Å; W132-M159 HydrophobicContact CB-CE 4.08Å; W132-M159 HydrophobicContact CD2-CE 3.85Å; W132-M159 HydrophobicContact CD2-SD 4.38Å; W132-M159 HydrophobicContact CE3-CE 3.28Å; W132-M159 HydrophobicContact CE3-SD 4.25Å; W132-M159 HydrophobicContact CG-CE 4.2Å; W132-M159 HydrophobicContact CZ3-CE 3.91Å; W132-F174 HydrophobicContact CE3-CZ 4.49Å; W132-F174 HydrophobicContact CH2-CD2 4.12Å; W132-F174 HydrophobicContact CH2-CE1 4.47Å; W132-F174 AromaticContact CH2-CE2 3.38Å; W132-F174 HydrophobicContact CH2-CE2 3.38Å; W132-F174 AromaticContact CH2-CZ 3.61Å; W132-F174 HydrophobicContact CH2-CZ 3.61Å; W132-F174 HydrophobicContact CZ2-CE2 4.08Å; W132-F174 HydrophobicContact CZ3-CE1 4.33Å; W132-F174 AromaticContact CZ3-CE2 3.81Å; W132-F174 HydrophobicContact CZ3-CE2 3.81Å; W132-F174 AromaticContact CZ3-CZ 3.53Å; W132-F174 HydrophobicContact CZ3-CZ 3.53Å; W132-C175 VanDerWaalsContact CZ3-SG 3.55Å
133M86.4Confident72.1Confident4 Ų488.2 Ų88.22%0.0241%0.406CS..EExtended strand (participates in β ladder)trans-91.8118.2174.5179179.778.200110.1F56 V57 G59 F61 I154 F156F56-M133 HydrophobicContact CD2-CB 3.97Å; F56-M133 HydrophobicContact CD2-SD 4.21Å; F56-M133 HydrophobicContact CE2-CB 4.39Å; F56-M133 HydrophobicContact CE2-SD 3.68Å; V57-M133 PolarHBondContact O-N 3.3Å; G59-M133 VanDerWaalsContact O-CE 3.27Å; G59-M133 WeakPolarHBondContact O-CE 3.3Å; F61-M133 HydrophobicContact CB-CE 3.8Å; F61-M133 HydrophobicContact CB-CG 4.31Å; F61-M133 HydrophobicContact CB-SD 3.83Å; F61-M133 HydrophobicContact CD1-CE 3.53Å; F61-M133 HydrophobicContact CD1-SD 3.34Å; F61-M133 WeakPolarHBondContact CD1-SD 3.16Å; F61-M133 HydrophobicContact CE1-CE 4.49Å; F61-M133 HydrophobicContact CE1-SD 4.03Å; F61-M133 HydrophobicContact CG-CE 4.04Å; F61-M133 HydrophobicContact CG-SD 3.69Å; M133-I154 HydrophobicContact CB-CG2 4.47Å; M133-I154 HydrophobicContact CG-CG2 3.51Å; M133-I154 HydrophobicContact SD-CG2 4.09Å; M133-F156 HydrophobicContact CB-CE1 4.44Å
134S76.4Confident69.5Low18 Ų1893.7 Ų93.713%0.12644%0.44CS..PPolyproline II helixtrans-76.7151.3176.8-159.10000112Q136 E155 E157S134-Q136 VanDerWaalsContact C-N 3.31Å; S134-E155 PolarHBondContact N-O 3Å; S134-E157 VanDerWaalsContact CB-OE1 3.25Å; S134-E157 WeakPolarHBondContact CB-OE1 3.47Å; S134-E157 PolarHBondContact OG-OE1 3.42Å
135K72.4Confident66.9Low124 Ų12498.1 Ų98.154%0.53948%0.479SS..SBendtrans-68.5-33.5177.3-70.3-175.5175.2-1690112.1G137 D176K135-G137 PolarHBondContact O-N 2.93Å; K135-D176 WeakPolarHBondContact CE-OD1 3.44Å; K135-D176 IonicContact NZ-OD1 2.87Å; K135-D176 PolarHBondContact NZ-OD1 2.84Å
136Q63.5Low64.6Low158 Ų158100.3 Ų100.374%0.73850%0.495SS*.  trans-79.872.1179.7-66-170.6-3700109.9S134 S138S134-Q136 VanDerWaalsContact C-N 3.31Å; Q136-S138 PolarHBondContact O-N 2.97Å
137G52Low62.2Low20 Ų20109.3 Ų109.321%0.20653%0.533CS..  trans-64.7125.3163.500000109.2K135K135-G137 PolarHBondContact O-N 2.93Å
138S44.4Very low59.8Low83 Ų83114.3 Ų114.358%0.5856%0.559SS**SBendtrans70.348156.466.10000119.6Q136Q136-S138 PolarHBondContact O-N 2.97Å
139Q41Very low57.2Low181 Ų181115.7 Ų115.785%0.84659%0.585SS**SBendtrans-128.221.3158.6-143.2-173.4-3.600115.8
140L32.8Very low54.7Low140 Ų140118.8 Ų118.873%0.73360%0.601SS**SBendtrans-162.566.8165.8-141.871.2000117.5
141R35.4Very low52.1Low222 Ų222125.5 Ų125.584%0.83864%0.636SS**  trans-145.286.6145.6-72.9-160.2-180-138.4-1.6111.5F143R141-F143 VanDerWaalsContact C-N 3.31Å; R141-F143 PolarHBondContact O-N 3.11Å; R141-F143 VanDerWaalsContact O-N 3.13Å
142F35.7Very low50.1Low197 Ų197124 Ų12486%0.86463%0.634SS**  trans-68.495.2149.2-74.7-89.5000106.6
143F43.9Very low48.3Very low191 Ų191128.8 Ų128.884%0.83866%0.662SS**  trans-178.6131.4150.8-99.9-73.9000107.4R141R141-F143 VanDerWaalsContact C-N 3.31Å; R141-F143 PolarHBondContact O-N 3.11Å; R141-F143 VanDerWaalsContact O-N 3.13Å
144T39.3Very low47Very low128 Ų128130.2 Ų130.279%0.78567%0.669SS**  trans82.177.3-177.9760000116.7T146T144-T146 PolarHBondContact O-N 2.85Å
145A37.3Very low46.6Very low111 Ų111132.7 Ų132.792%0.91768%0.679SS**  trans-64.390.3160.400000110.7
146T43.8Very low47Very low109 Ų109131.4 Ų131.467%0.66967%0.673SS**  trans-107.5122.7163.5-52.30000108.6T144 H148T144-T146 PolarHBondContact O-N 2.85Å; T146-H148 PolarHBondContact O-N 2.67Å
147K41Very low48.2Very low204 Ų204128.2 Ų128.289%0.88766%0.658SS**SBendtrans-63.315.4-163.3-77.5177171.6174.60118A149K147-A149 PolarHBondContact O-N 3.23Å
148H43.6Very low50Low165 Ų165132.2 Ų132.276%0.76468%0.675SS**  trans-91.959.8167.3-70.7-77.7000110.4T146 Q150T146-H148 PolarHBondContact O-N 2.67Å; H148-Q150 VanDerWaalsContact C-N 3.25Å; H148-Q150 PolarHBondContact O-N 3.14Å
149A38.8Very low52.3Low99 Ų99128.5 Ų128.582%0.81865%0.648SS**THydrogen-bonded Turntrans-79.435.2-164.400000115.7K147K147-A149 PolarHBondContact O-N 3.23Å
150Q42.9Very low54.9Low186 Ų186121.9 Ų121.987%0.86962%0.617SS**THydrogen-bonded Turntrans-135.75.9175.6-158163.3-1.400115H148 E152H148-Q150 VanDerWaalsContact C-N 3.25Å; H148-Q150 PolarHBondContact O-N 3.14Å; Q150-E152 PolarHBondContact O-N 3.28Å
151L40.2Very low57.8Low143 Ų143115.2 Ų115.275%0.74958%0.582SS**SBendtrans-79101.4152.6-77.3133000105.5L153L151-L153 PolarHBondContact O-N 3.4Å
152E50Low60.7Low90 Ų90105.7 Ų105.742%0.42155%0.548SS..  trans-41.5117.2161.2-96.9168.7173.100106.9K66 Q150 I154K66-E152 IonicContact NZ-OE1 3.75Å; K66-E152 PolarHBondContact NZ-OE1 2.84Å; K66-E152 IonicContact NZ-OE2 3.58Å; K66-E152 PolarHBondContact NZ-OE2 2.95Å; Q150-E152 PolarHBondContact O-N 3.28Å; E152-I154 PolarHBondContact O-N 3.35Å
153L53.6Low63.5Low131 Ų131100.5 Ų100.569%0.68653%0.526SS*.  trans-68.586.5177.5-68.9173.1000106.8L151 E155L151-L153 PolarHBondContact O-N 3.4Å; L153-E155 PolarHBondContact O-N 3.46Å
154I59.9Low66Low35 Ų3591.4 Ų91.418%0.17949%0.486CS..PPolyproline II helixtrans-71.1120.9171.7-62.2169.5000105.9F61 M133 E152 F156F61-I154 HydrophobicContact CD2-CD1 3.94Å; F61-I154 HydrophobicContact CD2-CG1 3.91Å; F61-I154 HydrophobicContact CE1-CD1 4.36Å; F61-I154 HydrophobicContact CE2-CD1 3.53Å; F61-I154 HydrophobicContact CE2-CG1 3.85Å; F61-I154 HydrophobicContact CZ-CD1 3.76Å; M133-I154 HydrophobicContact CB-CG2 4.47Å; M133-I154 HydrophobicContact CG-CG2 3.51Å; M133-I154 HydrophobicContact SD-CG2 4.09Å; E152-I154 PolarHBondContact O-N 3.35Å; I154-F156 HydrophobicContact CB-CE2 4.37Å; I154-F156 HydrophobicContact CB-CZ 4.13Å; I154-F156 HydrophobicContact CG2-CD1 4.4Å; I154-F156 HydrophobicContact CG2-CE1 3.91Å; I154-F156 HydrophobicContact CG2-CE2 4.48Å; I154-F156 HydrophobicContact CG2-CZ 3.97Å; I154-F156 PolarHBondContact O-N 3.12Å
155E67.7Low68.7Low70 Ų7085.3 Ų85.333%0.32745%0.449SS..PPolyproline II helixtrans-74120.3173.5-66.6-171.7-174.700108.7S134 L153S134-E155 PolarHBondContact N-O 3Å; L153-E155 PolarHBondContact O-N 3.46Å
156F81.2Confident71.5Confident96 Ų9682.8 Ų82.842%0.42142%0.42SS..EExtended strand (participates in β ladder)trans-97.4125173-63.2-69.9000109.3F56 R131 W132 M133 I154F56-F156 HydrophobicContact CB-CD1 4Å; F56-F156 HydrophobicContact CB-CE1 3.66Å; F56-F156 AromaticContact CD1-CE1 3.59Å; F56-F156 HydrophobicContact CD1-CE1 3.59Å; F56-F156 AromaticContact CD1-CZ 3.84Å; F56-F156 HydrophobicContact CD1-CZ 3.84Å; F56-F156 AromaticContact CD2-CE1 3.96Å; F56-F156 HydrophobicContact CD2-CE1 3.96Å; F56-F156 HydrophobicContact CE1-CE1 4.18Å; F56-F156 HydrophobicContact CE1-CZ 4.15Å; F56-F156 HydrophobicContact CE2-CE1 4.47Å; F56-F156 HydrophobicContact CG-CD1 4.29Å; F56-F156 AromaticContact CG-CE1 3.47Å; F56-F156 HydrophobicContact CG-CE1 3.47Å; F56-F156 VanDerWaalsContact CG-CE1 3.47Å; F56-F156 HydrophobicContact CG-CZ 4.21Å; R131-F156 HydrophobicContact CB-CD1 4.4Å; W132-F156 CarbonylContact O-C 3.5Å; W132-F156 VanDerWaalsContact O-CA 3.22Å; W132-F156 WeakPolarHBondContact O-CA 3.34Å; M133-F156 HydrophobicContact CB-CE1 4.44Å; I154-F156 HydrophobicContact CB-CE2 4.37Å; I154-F156 HydrophobicContact CB-CZ 4.13Å; I154-F156 HydrophobicContact CG2-CD1 4.4Å; I154-F156 HydrophobicContact CG2-CE1 3.91Å; I154-F156 HydrophobicContact CG2-CE2 4.48Å; I154-F156 HydrophobicContact CG2-CZ 3.97Å; I154-F156 PolarHBondContact O-N 3.12Å
157E87Confident74Confident92 Ų9281.6 Ų81.643%0.4340%0.403SS..EExtended strand (participates in β ladder)trans-93.7154.8168.9-66.5167.2-15900108.9W132 S134W132-E157 HydrophobicContact CB-CB 4.25Å; W132-E157 PolarHBondContact N-O 3.2Å; W132-E157 PolarHBondContact O-N 2.87Å; S134-E157 VanDerWaalsContact CB-OE1 3.25Å; S134-E157 WeakPolarHBondContact CB-OE1 3.47Å; S134-E157 PolarHBondContact OG-OE1 3.42Å
158L90.4Very high76.7Confident104 Ų10471.9 Ų71.955%0.54536%0.361SS..EExtended strand (participates in β ladder)trans-88.6128.7171.1-174158.5000107.5K129 H160K129-L158 HydrophobicContact CB-CG 4.41Å; K129-L158 HydrophobicContact CD-CD1 3.83Å; K129-L158 HydrophobicContact CG-CD1 4.19Å; K129-L158 HydrophobicContact CG-CD2 4.23Å; K129-L158 HydrophobicContact CG-CG 4.35Å; L158-H160 WeakPolarHBondContact CD2-NE2 3.32Å
159M93.8Very high79.2Confident4 Ų465.2 Ų65.22%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-133.1149172.1-180172.560.100107.7K129 L130 W132 E163 F164 F174K129-M159 CarbonylContact C-O 3.53Å; L130-M159 CarbonylContact C-O 3.59Å; L130-M159 WeakPolarHBondContact CA-O 3.47Å; L130-M159 WeakPolarHBondContact CB-O 3.38Å; L130-M159 PolarHBondContact N-O 3.03Å; L130-M159 PolarHBondContact O-N 3.14Å; L130-M159 VanDerWaalsContact O-N 3.12Å; L130-M159 VanDerWaalsContact O-O 3.07Å; W132-M159 HydrophobicContact CB-CB 3.96Å; W132-M159 HydrophobicContact CB-CE 4.08Å; W132-M159 HydrophobicContact CD2-CE 3.85Å; W132-M159 HydrophobicContact CD2-SD 4.38Å; W132-M159 HydrophobicContact CE3-CE 3.28Å; W132-M159 HydrophobicContact CE3-SD 4.25Å; W132-M159 HydrophobicContact CG-CE 4.2Å; W132-M159 HydrophobicContact CZ3-CE 3.91Å; M159-E163 WeakPolarHBondContact CA-OE2 3.37Å; M159-E163 HydrophobicContact CG-CB 3.97Å; M159-F164 HydrophobicContact CE-CB 3.93Å; M159-F164 HydrophobicContact CE-CD2 3.57Å; M159-F164 HydrophobicContact CE-CG 4.23Å; M159-F164 HydrophobicContact SD-CB 4.27Å; M159-F174 HydrophobicContact CE-CZ 4.46Å
160H94.5Very high81.8Confident42 Ų4268.9 Ų68.919%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-94162174.5-68.1-100.3000112Y127 L158 D162 E163 F164Y127-H160 PolarHBondContact O-ND1 3.37Å; L158-H160 WeakPolarHBondContact CD2-NE2 3.32Å; H160-D162 WeakPolarHBondContact CB-OD1 3.37Å; H160-E163 HydrophobicContact CB-CG 4.18Å; H160-E163 IonicContact CD2-OE2 3.12Å; H160-E163 PolarHBondContact N-OE2 3.29Å; H160-E163 PolarHBondContact O-N 3.45Å; H160-F164 PolarHBondContact O-N 2.84Å
161M94.6Very high84.3Confident0 Ų063.6 Ų63.60%030%0.299CS..Hα-helixtrans-67.9-40.2-178.3173.76976.800111.9K97 R100 A101 D126 R128 L130 E163 F164 V165K97-M161 HydrophobicContact CB-CE 4.27Å; K97-M161 WeakPolarHBondContact O-CE 3.46Å; R100-M161 HydrophobicContact CB-CE 3.98Å; R100-M161 HydrophobicContact CG-CE 3.9Å; R100-M161 HydrophobicContact CG-SD 4.49Å; A101-M161 HydrophobicContact CB-CE 3.98Å; A101-M161 HydrophobicContact CB-SD 4.35Å; D126-M161 HydrophobicContact CB-CB 4.09Å; D126-M161 HydrophobicContact CB-CG 3.76Å; D126-M161 VanDerWaalsContact O-CB 3.29Å; D126-M161 WeakPolarHBondContact O-CB 3.42Å; R128-M161 PolarHBondContact O-N 3.42Å; L130-M161 HydrophobicContact CD1-CB 4.21Å; L130-M161 HydrophobicContact CD1-CE 4.01Å; L130-M161 HydrophobicContact CD1-SD 4.05Å; L130-M161 HydrophobicContact CD2-CE 4.11Å; L130-M161 HydrophobicContact CG-CE 4.47Å; M161-E163 PolarHBondContact O-N 3.3Å; M161-F164 WeakPolarHBondContact O-CB 3.49Å; M161-F164 PolarHBondContact O-N 3.12Å; M161-F164 HydrophobicContact SD-CD1 4.08Å; M161-V165 HydrophobicContact CG-CG2 4.45Å; M161-V165 VanDerWaalsContact O-CG2 3.26Å; M161-V165 WeakPolarHBondContact O-CG2 3.32Å; M161-V165 PolarHBondContact O-N 2.67Å; M161-V165 HydrophobicContact SD-CG2 4.18Å
162D95.1Very high86.8Confident23 Ų2364.1 Ų64.112%0.12330%0.298CS..Hα-helixtrans-55.9-46.917062.8-34.2000112L124 D126 Y127 H160 F164 V165 D166L124-D162 WeakPolarHBondContact CD2-O 3.03Å; L124-D162 VanDerWaalsContact O-CB 3.25Å; L124-D162 WeakPolarHBondContact O-CB 3.24Å; D126-D162 PolarHBondContact O-N 2.96Å; Y127-D162 HydrophobicContact CD1-CB 4.28Å; Y127-D162 VanDerWaalsContact CD1-OD2 3.31Å; Y127-D162 WeakPolarHBondContact CD1-OD2 3.35Å; Y127-D162 HydrophobicContact CE1-CB 4.27Å; Y127-D162 VanDerWaalsContact CE1-OD2 3.3Å; Y127-D162 WeakPolarHBondContact CE1-OD2 3.46Å; H160-D162 WeakPolarHBondContact CB-OD1 3.37Å; D162-F164 VanDerWaalsContact C-N 3.34Å; D162-F164 PolarHBondContact O-N 2.67Å; D162-V165 PolarHBondContact O-N 3.4Å; D162-D166 WeakPolarHBondContact O-CB 3.16Å; D162-D166 PolarHBondContact O-N 2.87Å
163E95.6Very high89Confident87 Ų8764.5 Ų64.541%0.40730%0.295SS..Hα-helixtrans-61.6-41.9175.3-65178148.100111.9M159 H160 M161 V165 D166 R167M159-E163 WeakPolarHBondContact CA-OE2 3.37Å; M159-E163 HydrophobicContact CG-CB 3.97Å; H160-E163 HydrophobicContact CB-CG 4.18Å; H160-E163 IonicContact CD2-OE2 3.12Å; H160-E163 PolarHBondContact N-OE2 3.29Å; H160-E163 PolarHBondContact O-N 3.45Å; M161-E163 PolarHBondContact O-N 3.3Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.45Å; E163-D166 PolarHBondContact O-N 2.72Å; E163-R167 WeakPolarHBondContact O-CG 3.45Å; E163-R167 PolarHBondContact O-N 2.88Å
164F96.3Very high90.9Very high0 Ų058.6 Ų58.60%026%0.264CS..Hα-helixtrans-58.9-46.8175.6175.4-97.1000111.1V57 F70 A101 A104 M105 L130 M159 H160 M161 D162 R167 L168 F174V57-F164 HydrophobicContact CB-CE2 4.48Å; V57-F164 HydrophobicContact CG1-CD2 4.13Å; V57-F164 HydrophobicContact CG1-CE2 3.39Å; V57-F164 HydrophobicContact CG1-CZ 4.08Å; F70-F164 HydrophobicContact CZ-CZ 4.05Å; A101-F164 HydrophobicContact CB-CD1 4.18Å; A101-F164 HydrophobicContact CB-CE1 3.71Å; A101-F164 HydrophobicContact CB-CZ 3.94Å; A101-F164 WeakPolarHBondContact O-CE1 3.45Å; A104-F164 HydrophobicContact CB-CE1 4.33Å; M105-F164 HydrophobicContact CB-CZ 4.25Å; L130-F164 HydrophobicContact CD1-CB 3.91Å; L130-F164 HydrophobicContact CD1-CG 4.15Å; M159-F164 HydrophobicContact CE-CB 3.93Å; M159-F164 HydrophobicContact CE-CD2 3.57Å; M159-F164 HydrophobicContact CE-CG 4.23Å; M159-F164 HydrophobicContact SD-CB 4.27Å; H160-F164 PolarHBondContact O-N 2.84Å; M161-F164 WeakPolarHBondContact O-CB 3.49Å; M161-F164 PolarHBondContact O-N 3.12Å; M161-F164 HydrophobicContact SD-CD1 4.08Å; D162-F164 VanDerWaalsContact C-N 3.34Å; D162-F164 PolarHBondContact O-N 2.67Å; F164-R167 PolarHBondContact O-N 3.2Å; F164-L168 HydrophobicContact CD1-CD1 4.07Å; F164-L168 HydrophobicContact CE1-CD1 3.59Å; F164-L168 HydrophobicContact CE1-CG 4.23Å; F164-L168 HydrophobicContact CZ-CD1 4.19Å; F164-L168 WeakPolarHBondContact O-CG 3.14Å; F164-L168 PolarHBondContact O-N 2.96Å; F164-L168 VanDerWaalsContact O-N 3.13Å; F164-F174 AromaticContact CD2-CE1 3.52Å; F164-F174 HydrophobicContact CD2-CE1 3.52Å; F164-F174 AromaticContact CD2-CZ 3.54Å; F164-F174 HydrophobicContact CD2-CZ 3.54Å; F164-F174 HydrophobicContact CE2-CD1 4.43Å; F164-F174 AromaticContact CE2-CE1 3.26Å; F164-F174 HydrophobicContact CE2-CE1 3.26Å; F164-F174 AromaticContact CE2-CZ 3.71Å; F164-F174 HydrophobicContact CE2-CZ 3.71Å; F164-F174 HydrophobicContact CG-CE1 4.44Å; F164-F174 AromaticContact CZ-CE1 4Å; F164-F174 HydrophobicContact CZ-CE1 4Å
165V96.4Very high92.4Very high0 Ų057.1 Ų57.10%026%0.257CS..Hα-helixtrans-69.3-39.7-179.2173.20000111.6L120 L123 L124 M161 D162 E163 R167 L168 L169L120-V165 HydrophobicContact CB-CG1 3.89Å; L120-V165 WeakPolarHBondContact O-CG1 3.34Å; L123-V165 HydrophobicContact CB-CG1 4.44Å; L123-V165 HydrophobicContact CB-CG2 3.77Å; L123-V165 HydrophobicContact CD1-CG2 4.18Å; L124-V165 HydrophobicContact CD2-CB 4.01Å; L124-V165 HydrophobicContact CD2-CG1 3.76Å; L124-V165 HydrophobicContact CG-CG1 4.03Å; M161-V165 HydrophobicContact CG-CG2 4.45Å; M161-V165 VanDerWaalsContact O-CG2 3.26Å; M161-V165 WeakPolarHBondContact O-CG2 3.32Å; M161-V165 PolarHBondContact O-N 2.67Å; M161-V165 HydrophobicContact SD-CG2 4.18Å; D162-V165 PolarHBondContact O-N 3.4Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.45Å; V165-R167 VanDerWaalsContact C-N 3.31Å; V165-R167 PolarHBondContact O-N 2.93Å; V165-L168 WeakPolarHBondContact O-CB 3.29Å; V165-L168 PolarHBondContact O-N 3.26Å; V165-L168 VanDerWaalsContact O-N 3.12Å; V165-L169 HydrophobicContact CG1-CD1 4.22Å; V165-L169 WeakPolarHBondContact O-CG 3.24Å; V165-L169 PolarHBondContact O-N 3.46Å; V165-L169 VanDerWaalsContact O-N 3.09Å
166D95.8Very high93.5Very high58 Ų5854.5 Ų54.531%0.3125%0.245SC..Hα-helixtrans-60.4-42.7175.6-172.372.9000111.1L124 D162 E163 L168 L169 R170L124-D166 HydrophobicContact CD2-CB 4.1Å; D162-D166 WeakPolarHBondContact O-CB 3.16Å; D162-D166 PolarHBondContact O-N 2.87Å; E163-D166 PolarHBondContact O-N 2.72Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.94Å; D166-L169 PolarHBondContact O-N 3.29Å; D166-L169 VanDerWaalsContact O-N 3.1Å; D166-R170 WeakPolarHBondContact O-CB 3.41Å; D166-R170 WeakPolarHBondContact O-CG 3.35Å; D166-R170 PolarHBondContact O-N 3Å; D166-R170 IonicContact OD1-CZ 2.81Å; D166-R170 IonicContact OD1-NE 2.66Å; D166-R170 PolarHBondContact OD1-NE 3.41Å; D166-R170 IonicContact OD1-NH2 3.11Å; D166-R170 WeakPolarHBondContact OD2-CD 3.47Å; D166-R170 IonicContact OD2-NE 3.01Å; D166-R170 PolarHBondContact OD2-NE 2.98Å
167R96.2Very high94.2Very high85 Ų8549.9 Ų49.932%0.32123%0.225SC..Hα-helixtrans-60.6-40.3173.2-70.3-172.2-177.8177.63112.5E163 F164 V165 L169 R170 E171 F174E163-R167 WeakPolarHBondContact O-CG 3.45Å; E163-R167 PolarHBondContact O-N 2.88Å; F164-R167 PolarHBondContact O-N 3.2Å; V165-R167 VanDerWaalsContact C-N 3.31Å; V165-R167 PolarHBondContact O-N 2.93Å; R167-L169 VanDerWaalsContact C-N 3.26Å; R167-L169 PolarHBondContact O-N 3.09Å; R167-R170 PolarHBondContact O-N 2.62Å; R167-E171 HydrophobicContact CB-CG 4.12Å; R167-E171 VanDerWaalsContact CD-OE1 3.24Å; R167-E171 WeakPolarHBondContact CD-OE1 3.34Å; R167-E171 HydrophobicContact CG-CG 4.3Å; R167-E171 VanDerWaalsContact CG-OE1 3.24Å; R167-E171 WeakPolarHBondContact CG-OE1 2.96Å; R167-E171 IonicContact NE-OE1 2.63Å; R167-E171 VanDerWaalsContact O-CB 3.28Å; R167-E171 WeakPolarHBondContact O-CB 3.49Å; R167-E171 PolarHBondContact O-N 2.75Å; R167-F174 HydrophobicContact CB-CD2 4.12Å; R167-F174 HydrophobicContact CB-CE2 3.99Å; R167-F174 HydrophobicContact CB-CZ 4.25Å; R167-F174 HydrophobicContact CG-CE2 4.44Å
168L96.7Very high94.6Very high0 Ų049.9 Ų49.90%023%0.225CC..Hα-helixtrans-60.2-36.3174.4-67.6-179.2000113A104 M105 R108 L120 F164 V165 D166 F174A104-L168 HydrophobicContact CB-CD1 4.06Å; M105-L168 HydrophobicContact CB-CD2 4.49Å; M105-L168 HydrophobicContact CE-CD2 4.49Å; M105-L168 HydrophobicContact CG-CD2 4.46Å; M105-L168 HydrophobicContact SD-CD2 3.16Å; M105-L168 WeakPolarHBondContact SD-CD2 3.34Å; R108-L168 HydrophobicContact CB-CB 4.48Å; R108-L168 HydrophobicContact CB-CD1 4.47Å; R108-L168 WeakPolarHBondContact CD-O 3.47Å; R108-L168 HydrophobicContact CG-CB 4.12Å; R108-L168 HydrophobicContact CG-CD2 4.39Å; R108-L168 PolarHBondContact NE-O 3.2Å; L120-L168 HydrophobicContact CD1-CB 4.4Å; L120-L168 HydrophobicContact CD1-CD1 4.39Å; F164-L168 HydrophobicContact CD1-CD1 4.07Å; F164-L168 HydrophobicContact CE1-CD1 3.59Å; F164-L168 HydrophobicContact CE1-CG 4.23Å; F164-L168 HydrophobicContact CZ-CD1 4.19Å; F164-L168 WeakPolarHBondContact O-CG 3.14Å; F164-L168 PolarHBondContact O-N 2.96Å; F164-L168 VanDerWaalsContact O-N 3.13Å; V165-L168 WeakPolarHBondContact O-CB 3.29Å; V165-L168 PolarHBondContact O-N 3.26Å; V165-L168 VanDerWaalsContact O-N 3.12Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.94Å; L168-F174 HydrophobicContact CD2-CD1 3.5Å; L168-F174 HydrophobicContact CD2-CE1 3.89Å; L168-F174 HydrophobicContact CG-CD1 4.4Å; L168-F174 HydrophobicContact CG-CE1 4.42Å
169L95.8Very high94.9Very high25 Ų2545.5 Ų45.513%0.13120%0.202CC..Hα-helixtrans-81.6-28.2-177-67.2175000112.8V116 Y117 L120 L124 V165 D166 R167 L182V116-L169 HydrophobicContact CG1-CD2 3.78Å; Y117-L169 HydrophobicContact CD1-CD2 4.01Å; Y117-L169 HydrophobicContact CE1-CD2 3.94Å; L120-L169 HydrophobicContact CB-CD2 4.32Å; L120-L169 HydrophobicContact CD1-CD2 3.92Å; L120-L169 HydrophobicContact CD1-CG 4.43Å; L124-L169 HydrophobicContact CD1-CD1 4.28Å; V165-L169 HydrophobicContact CG1-CD1 4.22Å; V165-L169 WeakPolarHBondContact O-CG 3.24Å; V165-L169 PolarHBondContact O-N 3.46Å; V165-L169 VanDerWaalsContact O-N 3.09Å; D166-L169 PolarHBondContact O-N 3.29Å; D166-L169 VanDerWaalsContact O-N 3.1Å; R167-L169 VanDerWaalsContact C-N 3.26Å; R167-L169 PolarHBondContact O-N 3.09Å; L169-L182 HydrophobicContact CD2-CD2 4Å
170R94Very high94.9Very high176 Ų17646.3 Ų46.366%0.66421%0.207SC*.Hα-helixtrans-111.1-35.7-170.6-62.4-175.4-172.4-95.2-0.8115.3D166 R167D166-R170 WeakPolarHBondContact O-CB 3.41Å; D166-R170 WeakPolarHBondContact O-CG 3.35Å; D166-R170 PolarHBondContact O-N 3Å; D166-R170 IonicContact OD1-CZ 2.81Å; D166-R170 IonicContact OD1-NE 2.66Å; D166-R170 PolarHBondContact OD1-NE 3.41Å; D166-R170 IonicContact OD1-NH2 3.11Å; D166-R170 WeakPolarHBondContact OD2-CD 3.47Å; D166-R170 IonicContact OD2-NE 3.01Å; D166-R170 PolarHBondContact OD2-NE 2.98Å; R167-R170 PolarHBondContact O-N 2.62Å
171E94.7Very high94.9Very high74 Ų7455.9 Ų55.935%0.34624%0.241SC..  trans-77.3148.6-174.5-63.6-174.7175.400111.5R167 F174 L179R167-E171 HydrophobicContact CB-CG 4.12Å; R167-E171 VanDerWaalsContact CD-OE1 3.24Å; R167-E171 WeakPolarHBondContact CD-OE1 3.34Å; R167-E171 HydrophobicContact CG-CG 4.3Å; R167-E171 VanDerWaalsContact CG-OE1 3.24Å; R167-E171 WeakPolarHBondContact CG-OE1 2.96Å; R167-E171 IonicContact NE-OE1 2.63Å; R167-E171 VanDerWaalsContact O-CB 3.28Å; R167-E171 WeakPolarHBondContact O-CB 3.49Å; R167-E171 PolarHBondContact O-N 2.75Å; E171-F174 VanDerWaalsContact OE2-CD2 3.3Å; E171-F174 WeakPolarHBondContact OE2-CD2 3.29Å; E171-L179 WeakPolarHBondContact O-CD1 3.47Å
172E94.4Very high94.9Very high155 Ų15557.3 Ų57.372%0.72425%0.249SC*.SBendtrans-80.1-28173.5-61.9-172.1168.200112.1Q178 L179E172-Q178 PolarHBondContact O-OE1 2.93Å; E172-L179 PolarHBondContact O-N 3.34Å
173R94.6Very high94.8Very high97 Ų9760.2 Ų60.237%0.36626%0.262SS..EExtended strand (participates in β ladder)trans-137.9126.1-177.4-167.8-178.4-176.4113.26.8110.1E22 D176 I177E22-R173 IonicContact OE1-CZ 3.53Å; E22-R173 IonicContact OE1-NH1 2.65Å; E22-R173 PolarHBondContact OE1-NH1 2.98Å; E22-R173 IonicContact OE1-NH2 2.55Å; E22-R173 PolarHBondContact OE1-NH2 3.49Å; E22-R173 IonicContact OE2-NH2 3.6Å; R173-D176 PolarHBondContact NH2-O 3.22Å; R173-D176 VanDerWaalsContact NH2-O 3.09Å; R173-I177 WeakPolarHBondContact CA-O 3.48Å; R173-I177 WeakPolarHBondContact CG-O 3.25Å
174F94.1Very high94.7Very high7 Ų763.1 Ų63.13%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-146.9146.4179.2-172.2-118.6000111.7M105 W132 M159 F164 R167 L168 E171 D176 I177 L179M105-F174 HydrophobicContact CE-CD1 4.46Å; M105-F174 HydrophobicContact SD-CD1 3.98Å; W132-F174 HydrophobicContact CE3-CZ 4.49Å; W132-F174 HydrophobicContact CH2-CD2 4.12Å; W132-F174 HydrophobicContact CH2-CE1 4.47Å; W132-F174 AromaticContact CH2-CE2 3.38Å; W132-F174 HydrophobicContact CH2-CE2 3.38Å; W132-F174 AromaticContact CH2-CZ 3.61Å; W132-F174 HydrophobicContact CH2-CZ 3.61Å; W132-F174 HydrophobicContact CZ2-CE2 4.08Å; W132-F174 HydrophobicContact CZ3-CE1 4.33Å; W132-F174 AromaticContact CZ3-CE2 3.81Å; W132-F174 HydrophobicContact CZ3-CE2 3.81Å; W132-F174 AromaticContact CZ3-CZ 3.53Å; W132-F174 HydrophobicContact CZ3-CZ 3.53Å; M159-F174 HydrophobicContact CE-CZ 4.46Å; F164-F174 AromaticContact CD2-CE1 3.52Å; F164-F174 HydrophobicContact CD2-CE1 3.52Å; F164-F174 AromaticContact CD2-CZ 3.54Å; F164-F174 HydrophobicContact CD2-CZ 3.54Å; F164-F174 HydrophobicContact CE2-CD1 4.43Å; F164-F174 AromaticContact CE2-CE1 3.26Å; F164-F174 HydrophobicContact CE2-CE1 3.26Å; F164-F174 AromaticContact CE2-CZ 3.71Å; F164-F174 HydrophobicContact CE2-CZ 3.71Å; F164-F174 HydrophobicContact CG-CE1 4.44Å; F164-F174 AromaticContact CZ-CE1 4Å; F164-F174 HydrophobicContact CZ-CE1 4Å; R167-F174 HydrophobicContact CB-CD2 4.12Å; R167-F174 HydrophobicContact CB-CE2 3.99Å; R167-F174 HydrophobicContact CB-CZ 4.25Å; R167-F174 HydrophobicContact CG-CE2 4.44Å; L168-F174 HydrophobicContact CD2-CD1 3.5Å; L168-F174 HydrophobicContact CD2-CE1 3.89Å; L168-F174 HydrophobicContact CG-CD1 4.4Å; L168-F174 HydrophobicContact CG-CE1 4.42Å; E171-F174 VanDerWaalsContact OE2-CD2 3.3Å; E171-F174 WeakPolarHBondContact OE2-CD2 3.29Å; F174-D176 PolarHBondContact O-N 3.5Å; F174-D176 VanDerWaalsContact O-N 3.11Å; F174-I177 PolarHBondContact N-O 3.49Å; F174-I177 PolarHBondContact O-N 3.15Å; F174-L179 HydrophobicContact CB-CD1 4Å; F174-L179 HydrophobicContact CB-CG 4.37Å
175C91.8Very high94.3Very high5 Ų564.6 Ų64.63%0.03428%0.279CS..THydrogen-bonded Turntrans48.336.3-172.4-65.40000113.5G59 M105 W132 I177G59-C175 WeakPolarHBondContact CA-O 3.45Å; M105-C175 HydrophobicContact CE-CB 4.13Å; W132-C175 VanDerWaalsContact CZ3-SG 3.55Å; C175-I177 PolarHBondContact O-N 3.45Å
176D91.2Very high94.1Very high14 Ų1469.3 Ų69.38%0.07530%0.304CS..THydrogen-bonded Turntrans63.912.8-176.7-62.1-69.9000116.3G59 V60 K135 R173 F174G59-D176 WeakPolarHBondContact CA-OD2 3.39Å; V60-D176 HydrophobicContact CG1-CB 4.37Å; V60-D176 HydrophobicContact CG2-CB 4.21Å; V60-D176 WeakPolarHBondContact CG2-OD2 3.42Å; V60-D176 PolarHBondContact N-OD2 2.76Å; K135-D176 WeakPolarHBondContact CE-OD1 3.44Å; K135-D176 IonicContact NZ-OD1 2.87Å; K135-D176 PolarHBondContact NZ-OD1 2.84Å; R173-D176 PolarHBondContact NH2-O 3.22Å; R173-D176 VanDerWaalsContact NH2-O 3.09Å; F174-D176 PolarHBondContact O-N 3.5Å; F174-D176 VanDerWaalsContact O-N 3.11Å
177I95Very high94Very high0 Ų069.3 Ų69.30%031%0.306CS..EExtended strand (participates in β ladder)trans-105.7136.2174.6-63173.1000109L20 I21 L71 M105 L109 R173 F174 C175 L179L20-I177 WeakPolarHBondContact O-CG2 3.41Å; I21-I177 HydrophobicContact CD1-CD1 3.85Å; I21-I177 HydrophobicContact CD1-CG1 4.48Å; I21-I177 HydrophobicContact CG1-CD1 3.75Å; I21-I177 HydrophobicContact CG1-CG1 4Å; L71-I177 HydrophobicContact CD1-CD1 3.51Å; L71-I177 HydrophobicContact CD1-CG1 3.94Å; M105-I177 HydrophobicContact CE-CB 4.08Å; M105-I177 HydrophobicContact CE-CD1 3.91Å; M105-I177 HydrophobicContact CE-CG1 4.47Å; L109-I177 HydrophobicContact CD1-CD1 4.22Å; L109-I177 HydrophobicContact CD1-CG2 4.48Å; L109-I177 HydrophobicContact CD2-CG2 3.73Å; R173-I177 WeakPolarHBondContact CA-O 3.48Å; R173-I177 WeakPolarHBondContact CG-O 3.25Å; F174-I177 PolarHBondContact N-O 3.49Å; F174-I177 PolarHBondContact O-N 3.15Å; C175-I177 PolarHBondContact O-N 3.45Å; I177-L179 PolarHBondContact O-N 3Å
178Q96Very high93.8Very high92 Ų9265.2 Ų65.243%0.4329%0.291SS..EExtended strand (participates in β ladder)trans-76117.4168.7-166.771.5-10.300109E172E172-Q178 PolarHBondContact O-OE1 2.93Å
179L96.1Very high93.5Very high12 Ų1267.8 Ų67.86%0.06330%0.302CS..PPolyproline II helixtrans-75134.3-177.9-62.1-174.4000109.7M105 R108 L109 E171 E172 F174 I177M105-L179 HydrophobicContact CE-CD2 3.72Å; M105-L179 HydrophobicContact SD-CD2 4.44Å; R108-L179 HydrophobicContact CG-CD1 4.48Å; R108-L179 HydrophobicContact CG-CD2 4.47Å; L109-L179 HydrophobicContact CD2-CD2 3.65Å; E171-L179 WeakPolarHBondContact O-CD1 3.47Å; E172-L179 PolarHBondContact O-N 3.34Å; F174-L179 HydrophobicContact CB-CD1 4Å; F174-L179 HydrophobicContact CB-CG 4.37Å; I177-L179 PolarHBondContact O-N 3Å
180P94.9Very high93.3Very high20 Ų2074.3 Ų74.313%0.1333%0.332CS..PPolyproline II helixtrans-57.1145.7172.9-26.936.1000111.3K13 L20 R108 L109 L182K13-P180 HydrophobicContact CG-CB 4.14Å; K13-P180 HydrophobicContact CG-CG 4.34Å; L20-P180 HydrophobicContact CD2-CG 3.99Å; R108-P180 VanDerWaalsContact CZ-O 3.3Å; R108-P180 PolarHBondContact NH1-O 2.77Å; R108-P180 PolarHBondContact NH2-O 2.9Å; L109-P180 HydrophobicContact CD2-CG 4.49Å; P180-L182 PolarHBondContact O-N 3.45Å
181R94.4Very high93.2Very high243 Ų24369.7 Ų69.792%0.91732%0.324SS*.PPolyproline II helixtrans-54.2129177.7-68-174177.6-174.4-0.8110.5
182L94.2Very high92.8Very high31 Ų3169.2 Ų69.216%0.16234%0.339CS..PPolyproline II helixtrans-103.8129.4174.5-167.668.4000107.7V116 Y117 L169 P180 K184V116-L182 HydrophobicContact CB-CD1 3.97Å; V116-L182 HydrophobicContact CG1-CD1 3.82Å; V116-L182 HydrophobicContact CG1-CD2 4.22Å; V116-L182 HydrophobicContact CG2-CD1 4.27Å; Y117-L182 HydrophobicContact CE1-CD2 3.99Å; Y117-L182 HydrophobicContact CE2-CD1 4.49Å; Y117-L182 HydrophobicContact CE2-CD2 4.07Å; Y117-L182 HydrophobicContact CE2-CG 4.08Å; Y117-L182 WeakPolarHBondContact OH-CD2 3.45Å; L169-L182 HydrophobicContact CD2-CD2 4Å; P180-L182 PolarHBondContact O-N 3.45Å; L182-K184 PolarHBondContact O-N 3.01Å
183Q93.2Very high92.5Very high84 Ų8466.5 Ų66.539%0.39333%0.326SS..PPolyproline II helixtrans-63.5134171.2-175.4166.9-9.100108.6S113 Y117 V187 L188S113-Q183 PolarHBondContact OG-N 3.22Å; Y117-Q183 VanDerWaalsContact CE2-O 3.3Å; Y117-Q183 WeakPolarHBondContact CE2-O 3.33Å; Y117-Q183 PolarHBondContact OH-O 2.66Å; Q183-V187 HydrophobicContact CG-CB 4.31Å; Q183-V187 HydrophobicContact CG-CG1 4.45Å; Q183-V187 VanDerWaalsContact NE2-CG1 3.29Å; Q183-L188 HydrophobicContact CB-CD2 4.43Å; Q183-L188 HydrophobicContact CB-CG 4.5Å; Q183-L188 HydrophobicContact CG-CD2 4.02Å; Q183-L188 HydrophobicContact CG-CG 4.11Å
184K93.1Very high92.1Very high148 Ų14862.3 Ų62.364%0.64331%0.311SS*.PPolyproline II helixtrans-61.2142.4-179.6-65.8-172.8178.3-176.10110.3L182 D186 V187 L188L182-K184 PolarHBondContact O-N 3.01Å; K184-D186 VanDerWaalsContact C-N 3.33Å; K184-D186 PolarHBondContact O-N 3.4Å; K184-V187 HydrophobicContact CB-CG2 4.28Å; K184-V187 PolarHBondContact O-N 2.79Å; K184-L188 PolarHBondContact O-N 2.82Å
185R88.7Confident91.8Very high30 Ų3066.7 Ų66.711%0.11334%0.34CS..Hα-helixtrans-55.4-45.7179.2-172.1176.8-175.4142.315.1112.7Y117 E121 V187 L188 E189Y117-R185 HydrophobicContact CE1-CB 4.22Å; Y117-R185 HydrophobicContact CE2-CB 4.2Å; Y117-R185 PolarHBondContact OH-N 3.33Å; E121-R185 VanDerWaalsContact CD-CZ 3.45Å; E121-R185 IonicContact OE1-CZ 3.37Å; E121-R185 IonicContact OE1-NE 2.97Å; E121-R185 IonicContact OE1-NH1 3.97Å; E121-R185 PolarHBondContact OE1-NH1 3.4Å; E121-R185 IonicContact OE1-NH2 2.74Å; E121-R185 IonicContact OE2-CZ 3.35Å; E121-R185 IonicContact OE2-NH1 3.08Å; E121-R185 PolarHBondContact OE2-NH1 3.1Å; E121-R185 IonicContact OE2-NH2 2.81Å; E121-R185 PolarHBondContact OE2-NH2 3.23Å; R185-V187 PolarHBondContact O-N 2.85Å; R185-V187 VanDerWaalsContact O-N 3.13Å; R185-L188 CarbonylContact O-C 3.59Å; R185-L188 WeakPolarHBondContact O-CA 3Å; R185-L188 WeakPolarHBondContact O-CB 3.32Å; R185-L188 PolarHBondContact O-N 3.37Å; R185-E189 WeakPolarHBondContact CD-OE1 3.42Å; R185-E189 HydrophobicContact CG-CG 4.13Å; R185-E189 WeakPolarHBondContact CG-OE1 3.27Å; R185-E189 IonicContact CZ-OE1 2.79Å; R185-E189 IonicContact NE-OE1 3.93Å; R185-E189 PolarHBondContact NE-OE1 3.34Å; R185-E189 PolarHBondContact O-N 2.83Å
186D91.3Very high91.2Very high99 Ų9974.6 Ų74.653%0.52937%0.374SS..Hα-helixtrans-52.6-40.5-179.2-46-22.1000112.1K184 L188 E189 E190K184-D186 VanDerWaalsContact C-N 3.33Å; K184-D186 PolarHBondContact O-N 3.4Å; D186-L188 PolarHBondContact O-N 3.26Å; D186-E189 PolarHBondContact O-N 3.41Å; D186-E190 WeakPolarHBondContact O-CB 3.33Å; D186-E190 VanDerWaalsContact O-CG 3.31Å; D186-E190 WeakPolarHBondContact O-CG 3.41Å; D186-E190 PolarHBondContact O-N 3.21Å
187V93Very high90.6Very high58 Ų5879 Ų7935%0.35239%0.39SS..Hα-helixtrans-69.2-35.3178.1-173.60000111.6Q183 K184 R185 E189 T191Q183-V187 HydrophobicContact CG-CB 4.31Å; Q183-V187 HydrophobicContact CG-CG1 4.45Å; Q183-V187 VanDerWaalsContact NE2-CG1 3.29Å; K184-V187 HydrophobicContact CB-CG2 4.28Å; K184-V187 PolarHBondContact O-N 2.79Å; R185-V187 PolarHBondContact O-N 2.85Å; R185-V187 VanDerWaalsContact O-N 3.13Å; V187-E189 VanDerWaalsContact C-N 3.35Å; V187-T191 WeakPolarHBondContact O-CB 3.35Å; V187-T191 VanDerWaalsContact O-CG2 3.28Å; V187-T191 WeakPolarHBondContact O-CG2 3.33Å; V187-T191 PolarHBondContact O-N 3.45Å; V187-T191 VanDerWaalsContact O-N 3.09Å; V187-T191 PolarHBondContact O-OG1 2.85Å
188L92.3Very high89.4Confident0 Ų084.3 Ų84.30%042%0.417CS..Hα-helixtrans-72.2-31.4176.3-63175000111.7I114 Y117 Q183 K184 R185 D186 T191 G192 Q193 L194I114-L188 HydrophobicContact CG1-CD2 4.25Å; Y117-L188 HydrophobicContact CD2-CD1 3.6Å; Y117-L188 HydrophobicContact CE2-CD1 3.67Å; Q183-L188 HydrophobicContact CB-CD2 4.43Å; Q183-L188 HydrophobicContact CB-CG 4.5Å; Q183-L188 HydrophobicContact CG-CD2 4.02Å; Q183-L188 HydrophobicContact CG-CG 4.11Å; K184-L188 PolarHBondContact O-N 2.82Å; R185-L188 CarbonylContact O-C 3.59Å; R185-L188 WeakPolarHBondContact O-CA 3Å; R185-L188 WeakPolarHBondContact O-CB 3.32Å; R185-L188 PolarHBondContact O-N 3.37Å; D186-L188 PolarHBondContact O-N 3.26Å; L188-T191 WeakPolarHBondContact CA-OG1 3.48Å; L188-T191 PolarHBondContact O-OG1 3.25Å; L188-G192 PolarHBondContact O-N 2.85Å; L188-Q193 HydrophobicContact CD2-CB 4.39Å; L188-Q193 PolarHBondContact O-N 3.43Å; L188-L194 HydrophobicContact CB-CB 4.23Å; L188-L194 HydrophobicContact CB-CD1 3.8Å; L188-L194 HydrophobicContact CB-CG 4.06Å; L188-L194 HydrophobicContact CD1-CD1 3.59Å; L188-L194 HydrophobicContact CD1-CG 4.4Å; L188-L194 HydrophobicContact CG-CD1 4.35Å; L188-L194 PolarHBondContact O-N 3.47Å; L188-L194 VanDerWaalsContact O-N 3.11Å
189E90.9Very high88.3Confident53 Ų5381.1 Ų81.125%0.24841%0.405CS..Hα-helixtrans-71.7-45.4173.6-66.6-177.517800111.4R185 D186 V187 T191 G192 L194 R197R185-E189 WeakPolarHBondContact CD-OE1 3.42Å; R185-E189 HydrophobicContact CG-CG 4.13Å; R185-E189 WeakPolarHBondContact CG-OE1 3.27Å; R185-E189 IonicContact CZ-OE1 2.79Å; R185-E189 IonicContact NE-OE1 3.93Å; R185-E189 PolarHBondContact NE-OE1 3.34Å; R185-E189 PolarHBondContact O-N 2.83Å; D186-E189 PolarHBondContact O-N 3.41Å; V187-E189 VanDerWaalsContact C-N 3.35Å; E189-T191 VanDerWaalsContact C-N 3.28Å; E189-T191 PolarHBondContact O-N 2.93Å; E189-G192 PolarHBondContact O-N 3.48Å; E189-L194 HydrophobicContact CG-CB 4.46Å; E189-R197 PolarHBondContact OE1-N 3.17Å; E189-R197 VanDerWaalsContact OE1-N 3.09Å
190E91.9Very high87.1Confident163 Ų16384.8 Ų84.876%0.76242%0.424SS*.Hα-helixtrans-60.4-36.7175.7-75.6173.4-172.700112.7D186 G192D186-E190 WeakPolarHBondContact O-CB 3.33Å; D186-E190 VanDerWaalsContact O-CG 3.31Å; D186-E190 WeakPolarHBondContact O-CG 3.41Å; D186-E190 PolarHBondContact O-N 3.21Å; E190-G192 PolarHBondContact O-N 3.34Å
191T91.9Very high85.7Confident79 Ų7987.2 Ų87.249%0.48544%0.435SS..THydrogen-bonded Turntrans-80.5-3.8176.153.50000113.4V187 L188 E189 Q193V187-T191 WeakPolarHBondContact O-CB 3.35Å; V187-T191 VanDerWaalsContact O-CG2 3.28Å; V187-T191 WeakPolarHBondContact O-CG2 3.33Å; V187-T191 PolarHBondContact O-N 3.45Å; V187-T191 VanDerWaalsContact O-N 3.09Å; V187-T191 PolarHBondContact O-OG1 2.85Å; L188-T191 WeakPolarHBondContact CA-OG1 3.48Å; L188-T191 PolarHBondContact O-OG1 3.25Å; E189-T191 VanDerWaalsContact C-N 3.28Å; E189-T191 PolarHBondContact O-N 2.93Å; T191-Q193 PolarHBondContact O-N 3.22Å
192G86.6Confident84.3Confident64 Ų6479.5 Ų79.566%0.6641%0.412SS*.THydrogen-bonded Turntrans70.515.1-178.800000114.4L188 E189 E190L188-G192 PolarHBondContact O-N 2.85Å; E189-G192 PolarHBondContact O-N 3.48Å; E190-G192 PolarHBondContact O-N 3.34Å
193Q87.5Confident83Confident97 Ų9782.8 Ų82.845%0.45343%0.426SS..SBendtrans-79.8-24.6177.5-66-175.2-10.400112.5I114 L188 T191I114-Q193 HydrophobicContact CD1-CB 4.07Å; I114-Q193 HydrophobicContact CD1-CG 4.41Å; I114-Q193 HydrophobicContact CG1-CB 4.39Å; L188-Q193 HydrophobicContact CD2-CB 4.39Å; L188-Q193 PolarHBondContact O-N 3.43Å; T191-Q193 PolarHBondContact O-N 3.22Å
194L87Confident81.8Confident9 Ų982.9 Ų82.95%0.04743%0.427CS..SBendtrans-127.8143.6172-72.4175.5000110.7I114 Y117 Q118 L188 E189I114-L194 HydrophobicContact CG2-CD2 3.83Å; I114-L194 HydrophobicContact CG2-CG 4.38Å; Y117-L194 HydrophobicContact CD2-CD1 3.67Å; Y117-L194 HydrophobicContact CG-CD1 3.96Å; Q118-L194 HydrophobicContact CG-CD2 3.95Å; L188-L194 HydrophobicContact CB-CB 4.23Å; L188-L194 HydrophobicContact CB-CD1 3.8Å; L188-L194 HydrophobicContact CB-CG 4.06Å; L188-L194 HydrophobicContact CD1-CD1 3.59Å; L188-L194 HydrophobicContact CD1-CG 4.4Å; L188-L194 HydrophobicContact CG-CD1 4.35Å; L188-L194 PolarHBondContact O-N 3.47Å; L188-L194 VanDerWaalsContact O-N 3.11Å; E189-L194 HydrophobicContact CG-CB 4.46Å
195P86.2Confident80.6Confident100 Ų10080.5 Ų80.565%0.64942%0.42SS*.PPolyproline II helixtrans-67.2156.3167.731.1-34.2000109.9R197P195-R197 PolarHBondContact O-N 3.26Å
196K80.7Confident79.5Confident171 Ų17185.5 Ų85.574%0.74345%0.445SS*.PPolyproline II helixtrans-51.3132.6170.4-71-174.3177.8-176.70109.4I198K196-I198 PolarHBondContact O-N 2.98Å
197R76.9Confident78.4Confident107 Ų10788.6 Ų88.640%0.40445%0.451SS..PPolyproline II helixtrans-57.6130.5172.5-165176.9-177.5-150.2-7.2110L124 E189 P195L124-R197 VanDerWaalsContact CD1-NH2 3.29Å; E189-R197 PolarHBondContact OE1-N 3.17Å; E189-R197 VanDerWaalsContact OE1-N 3.09Å; P195-R197 PolarHBondContact O-N 3.26Å
198I70.3Confident77.1Confident111 Ų11189.8 Ų89.857%0.56945%0.454SS*.  trans-110.4115.9164.4-47.7170.8000106.6K196 E203K196-I198 PolarHBondContact O-N 2.98Å; I198-E203 HydrophobicContact CG2-CG 3.49Å; I198-E203 VanDerWaalsContact CG2-CG 3.49Å; I198-E203 WeakPolarHBondContact CG2-OE1 3.5Å
199S73.2Confident76Confident25 Ų2592.8 Ų92.818%0.17548%0.475CS..  trans-82.3130.8173.8-37.30000107.7I201 D202 E203S199-I201 PolarHBondContact O-N 3.21Å; S199-I201 VanDerWaalsContact O-N 3.14Å; S199-D202 WeakPolarHBondContact CB-OD2 3.23Å; S199-D202 WeakPolarHBondContact O-CB 3.35Å; S199-D202 PolarHBondContact O-N 2.92Å; S199-D202 PolarHBondContact OG-OD2 3.01Å; S199-E203 PolarHBondContact O-N 3.22Å; S199-E203 VanDerWaalsContact O-N 3.14Å
200L69.9Low74.8Confident89 Ų8994.2 Ų94.247%0.46649%0.491SS..Hα-helixtrans-58-30.9176.5-78.469.8000111.8N125 D202 E203 E204N125-L200 VanDerWaalsContact ND2-CD1 3.33Å; N125-L200 WeakPolarHBondContact ND2-CD1 2.94Å; L200-D202 VanDerWaalsContact C-N 3.34Å; L200-E203 PolarHBondContact O-N 3.28Å; L200-E204 WeakPolarHBondContact O-CB 3.41Å; L200-E204 PolarHBondContact O-N 3.43Å
201I66.1Low73.1Confident71 Ų7189 Ų8936%0.36447%0.473SS..Hα-helixtrans-65.7-38.2175.3-61.1162.3000111S199 E204 L205 L230S199-I201 PolarHBondContact O-N 3.21Å; S199-I201 VanDerWaalsContact O-N 3.14Å; I201-E204 PolarHBondContact O-N 3.19Å; I201-L205 VanDerWaalsContact O-CB 3.26Å; I201-L205 WeakPolarHBondContact O-CB 3.49Å; I201-L205 PolarHBondContact O-N 2.89Å; I201-L230 HydrophobicContact CD1-CD1 4.2Å; I201-L230 HydrophobicContact CD1-CD2 3.86Å; I201-L230 HydrophobicContact CD1-CG 4.37Å; I201-L230 HydrophobicContact CG1-CD1 4.14Å; I201-L230 HydrophobicContact CG1-CD2 3.97Å; I201-L230 HydrophobicContact CG2-CD2 3.99Å
202D65.2Low71.5Confident81 Ų8193.5 Ų93.543%0.43349%0.488SS..Hα-helixtrans-68.1-41.6178.6-61-31.1000109.5S199 L200 L205 E206S199-D202 WeakPolarHBondContact CB-OD2 3.23Å; S199-D202 WeakPolarHBondContact O-CB 3.35Å; S199-D202 PolarHBondContact O-N 2.92Å; S199-D202 PolarHBondContact OG-OD2 3.01Å; L200-D202 VanDerWaalsContact C-N 3.34Å; D202-L205 PolarHBondContact O-N 3.17Å; D202-E206 WeakPolarHBondContact O-CB 3.46Å; D202-E206 WeakPolarHBondContact O-CG 3.44Å; D202-E206 PolarHBondContact O-N 3.41Å
203E66.8Low70Confident100 Ų10095.6 Ų95.647%0.46749%0.493SS..Hα-helixtrans-61.8-42.7173.2-64.5-179.1169.800112.2I198 S199 L200 Y207I198-E203 HydrophobicContact CG2-CG 3.49Å; I198-E203 VanDerWaalsContact CG2-CG 3.49Å; I198-E203 WeakPolarHBondContact CG2-OE1 3.5Å; S199-E203 PolarHBondContact O-N 3.22Å; S199-E203 VanDerWaalsContact O-N 3.14Å; L200-E203 PolarHBondContact O-N 3.28Å; E203-Y207 WeakPolarHBondContact O-CB 3.29Å; E203-Y207 PolarHBondContact O-N 2.65Å
204E67.4Low67.8Low86 Ų8693.4 Ų93.440%0.40250%0.496SS..Hα-helixtrans-68.2-37.6178.9-169.4174.1-170.600111.8L200 I201 Y207 L208 L226L200-E204 WeakPolarHBondContact O-CB 3.41Å; L200-E204 PolarHBondContact O-N 3.43Å; I201-E204 PolarHBondContact O-N 3.19Å; E204-Y207 PolarHBondContact O-N 3.42Å; E204-L208 HydrophobicContact CG-CD1 4.21Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CD1 3.09Å; E204-L208 VanDerWaalsContact O-CG 3.3Å; E204-L208 WeakPolarHBondContact O-CG 3.49Å; E204-L208 PolarHBondContact O-N 3.35Å; E204-L226 WeakPolarHBondContact OE1-CD2 3.22Å
205L69.8Low65.4Low97 Ų9796.2 Ų96.251%0.50853%0.528SS..Hα-helixtrans-68.3-42.2176.2-167.577.7000111.8I201 D202 Y207 L208 S209I201-L205 VanDerWaalsContact O-CB 3.26Å; I201-L205 WeakPolarHBondContact O-CB 3.49Å; I201-L205 PolarHBondContact O-N 2.89Å; D202-L205 PolarHBondContact O-N 3.17Å; L205-Y207 VanDerWaalsContact C-N 3.3Å; L205-Y207 PolarHBondContact O-N 3.08Å; L205-L208 PolarHBondContact O-N 2.95Å; L205-S209 PolarHBondContact O-N 3.16Å; L205-S209 PolarHBondContact O-OG 2.84Å
206E64.7Low63Low135 Ų135100.5 Ų100.563%0.63154%0.539SS*.Hα-helixtrans-61.1-40.9172.9-76.8-178.4-174.700111.2D202 S209 S210D202-E206 WeakPolarHBondContact O-CB 3.46Å; D202-E206 WeakPolarHBondContact O-CG 3.44Å; D202-E206 PolarHBondContact O-N 3.41Å; E206-S209 PolarHBondContact O-OG 2.87Å; E206-S210 WeakPolarHBondContact O-CB 3.24Å; E206-S210 PolarHBondContact O-N 2.96Å; E206-S210 VanDerWaalsContact O-N 3.1Å; E206-S210 PolarHBondContact O-OG 2.93Å
207Y68Low60.8Low165 Ų16599.8 Ų99.865%0.64754%0.543SS*.Hα-helixtrans-64.3-45.4175.1-172.9-89.8000112.1E203 E204 L205 S210 S211E203-Y207 WeakPolarHBondContact O-CB 3.29Å; E203-Y207 PolarHBondContact O-N 2.65Å; E204-Y207 PolarHBondContact O-N 3.42Å; L205-Y207 VanDerWaalsContact C-N 3.3Å; L205-Y207 PolarHBondContact O-N 3.08Å; Y207-S210 PolarHBondContact O-N 3.05Å; Y207-S211 WeakPolarHBondContact O-CB 3.48Å; Y207-S211 PolarHBondContact O-N 3.27Å; Y207-S211 PolarHBondContact O-OG 2.92Å
208L66.9Low59Low82 Ų82103 Ų10343%0.42956%0.563SS.*Hα-helixtrans-62.1-45.9177.6-77.4160.6000112E204 L205 S210 S211 E212E204-L208 HydrophobicContact CG-CD1 4.21Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CD1 3.09Å; E204-L208 VanDerWaalsContact O-CG 3.3Å; E204-L208 WeakPolarHBondContact O-CG 3.49Å; E204-L208 PolarHBondContact O-N 3.35Å; L205-L208 PolarHBondContact O-N 2.95Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 3.35Å; L208-S211 WeakPolarHBondContact O-CB 3.47Å; L208-S211 PolarHBondContact O-N 3.05Å; L208-S211 VanDerWaalsContact O-N 3.1Å; L208-E212 PolarHBondContact O-N 3.46Å
209S68.2Low57.7Low63 Ų63103.7 Ų103.744%0.44157%0.572SS.*Hα-helixtrans-63-35.5178.166.40000112.9L205 E206 S213L205-S209 PolarHBondContact O-N 3.16Å; L205-S209 PolarHBondContact O-OG 2.84Å; E206-S209 PolarHBondContact O-OG 2.87Å; S209-S213 PolarHBondContact O-N 3.27Å; S209-S213 PolarHBondContact O-OG 2.67Å
210S65.6Low56Low83 Ų83110.3 Ų110.358%0.5861%0.606SS**Hα-helixtrans-69.8-35.1174.6-57.10000111.9E206 Y207 L208 G214E206-S210 WeakPolarHBondContact O-CB 3.24Å; E206-S210 PolarHBondContact O-N 2.96Å; E206-S210 VanDerWaalsContact O-N 3.1Å; E206-S210 PolarHBondContact O-OG 2.93Å; Y207-S210 PolarHBondContact O-N 3.05Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 3.35Å; S210-G214 PolarHBondContact O-N 3.16Å
211S56.8Low54.8Low53 Ų53114 Ų11437%0.37162%0.621SS.*Hα-helixtrans-70.4-43177.7-50.70000112.1Y207 L208 S213 G214Y207-S211 WeakPolarHBondContact O-CB 3.48Å; Y207-S211 PolarHBondContact O-N 3.27Å; Y207-S211 PolarHBondContact O-OG 2.92Å; L208-S211 WeakPolarHBondContact O-CB 3.47Å; L208-S211 PolarHBondContact O-N 3.05Å; L208-S211 VanDerWaalsContact O-N 3.1Å; S211-S213 PolarHBondContact O-N 3.01Å; S211-G214 CarbonylContact O-C 3.59Å; S211-G214 WeakPolarHBondContact O-CA 3.42Å; S211-G214 PolarHBondContact O-N 3.13Å
212E56.8Low53.8Low174 Ų174118.9 Ų118.981%0.81364%0.639SS**Hα-helixtrans-65.4-25.7177-73.3-174.4172.600112.7L208L208-E212 PolarHBondContact O-N 3.46Å
213S55.5Low53Low108 Ų108119.8 Ų119.876%0.75565%0.648SS**THydrogen-bonded Turntrans-76.3-13.8171.9-55.60000112.8S209 S211S209-S213 PolarHBondContact O-N 3.27Å; S209-S213 PolarHBondContact O-OG 2.67Å; S211-S213 PolarHBondContact O-N 3.01Å
214G41Very low51.9Low51 Ų51119.3 Ų119.353%0.52666%0.655SS.*SBendtrans-99.9101.2177.700000111.3S210 S211S210-G214 PolarHBondContact O-N 3.16Å; S211-G214 CarbonylContact O-C 3.59Å; S211-G214 WeakPolarHBondContact O-CA 3.42Å; S211-G214 PolarHBondContact O-N 3.13Å
215G36.9Very low50.9Low69 Ų69122.1 Ų122.171%0.71167%0.672SS**  trans-17.2128.6176.800000118.3N217G215-N217 PolarHBondContact O-N 3.32Å; G215-N217 VanDerWaalsContact O-N 3.07Å
216E35.5Very low49.8Very low190 Ų190119 Ų11989%0.88866%0.656SS**SBendtrans-12.298.9157.2-61.7173.217200113.6
217N36.2Very low48.9Very low155 Ų155114.7 Ų114.783%0.82964%0.64SS**  trans-168.7121.4148.4-87.2-36.3000110.4G215G215-N217 PolarHBondContact O-N 3.32Å; G215-N217 VanDerWaalsContact O-N 3.07Å
218E38.7Very low47.9Very low175 Ų175113.4 Ų113.482%0.81864%0.643SS**SBendtrans81.4106.4156.2-60.6-174.5160.300120
219T41.8Very low47Very low125 Ų125112.1 Ų112.177%0.76764%0.64SS**  trans94.691.1134.950.70000119.8E221T219-E221 PolarHBondContact O-N 2.87Å
220D38.9Very low45.9Very low165 Ų165110 Ų11088%0.88262%0.624SS**THydrogen-bonded Turntrans-50.117.5168.2-96-45.1000118.8
221E43.6Very low44.9Very low165 Ų165110 Ų11077%0.77161%0.614SS**THydrogen-bonded Turntrans-92.8-16.5-173.9-76.3-164.9152.200115.8T219 S224T219-E221 PolarHBondContact O-N 2.87Å; E221-S224 PolarHBondContact O-OG 2.82Å; E221-S224 VanDerWaalsContact O-OG 3.07Å
222K46Very low44.2Very low174 Ų174113.3 Ų113.376%0.75763%0.627SS**G310 helixtrans-87.4-18-168-72.2-176.71801760116.5S224 L225K222-S224 PolarHBondContact O-N 2.92Å; K222-L225 PolarHBondContact O-N 2.76Å
223V47.6Very low43.6Very low101 Ų101109.8 Ų109.861%0.61262%0.617SS**G310 helixtrans-68.7-18.1179.6-172.90000112.2L225 L226V223-L225 VanDerWaalsContact C-N 3.28Å; V223-L225 PolarHBondContact O-N 3.42Å; V223-L226 HydrophobicContact CG1-CD1 4.05Å
224S43.9Very low43Very low89 Ų89110.1 Ų110.162%0.62261%0.61SS**G310 helixtrans-70.5-19.7-179.868.90000114.3E221 K222 L226E221-S224 PolarHBondContact O-OG 2.82Å; E221-S224 VanDerWaalsContact O-OG 3.07Å; K222-S224 PolarHBondContact O-N 2.92Å; S224-L226 VanDerWaalsContact C-N 3.34Å
225L47.2Very low43Very low146 Ų146116.4 Ų116.476%0.76462%0.623SS**G310 helixtrans-83.9-6-177.1-66.5173.7000114.1K222 V223K222-L225 PolarHBondContact O-N 2.76Å; V223-L225 VanDerWaalsContact C-N 3.28Å; V223-L225 PolarHBondContact O-N 3.42Å
226L46.9Very low42.9Very low32 Ų32125.1 Ų125.117%0.16864%0.641CS.*SBendtrans-67.9129-178.1-68173.2000111.9E204 V223 S224 K231E204-L226 WeakPolarHBondContact OE1-CD2 3.22Å; V223-L226 HydrophobicContact CG1-CD1 4.05Å; S224-L226 VanDerWaalsContact C-N 3.34Å; L226-K231 WeakPolarHBondContact O-CE 3.17Å
227P44.4Very low43.3Very low43 Ų43121.9 Ų121.928%0.27963%0.629SS.*  trans-53.6140.6171.2-23.932.3000111.9Y127 C229 L230 K231Y127-P227 HydrophobicContact CD2-CB 3.87Å; Y127-P227 HydrophobicContact CD2-CG 3.69Å; Y127-P227 HydrophobicContact CE2-CB 4.18Å; Y127-P227 HydrophobicContact CE2-CG 3.73Å; Y127-P227 HydrophobicContact CG-CB 4.17Å; Y127-P227 HydrophobicContact CG-CG 4.49Å; P227-C229 PolarHBondContact O-N 2.7Å; P227-C229 VanDerWaalsContact O-N 3.12Å; P227-L230 HydrophobicContact CG-CD1 4.39Å; P227-L230 PolarHBondContact O-N 2.71Å; P227-K231 PolarHBondContact O-N 3.3Å
228L48.2Very low43.6Very low139 Ų139120.2 Ų120.273%0.72862%0.618SS**Hα-helixtrans-57.8-27.1-178.8-95.5132.5000114.2L230 K231L228-L230 VanDerWaalsContact C-N 3.33Å; L228-K231 PolarHBondContact O-N 2.99Å
229C47.5Very low43.9Very low54 Ų54117.1 Ų117.137%0.36561%0.607SS.*Hα-helixtrans-62.8-39.6175.7142.50000111.4P227 N232P227-C229 PolarHBondContact O-N 2.7Å; P227-C229 VanDerWaalsContact O-N 3.12Å; C229-N232 PolarHBondContact O-N 3.13Å
230L45.4Very low44Very low18 Ų18116.6 Ų116.69%0.09460%0.598CS.*Hα-helixtrans-75.8-27.9179.3-88.4145.3000113.4I201 P227 L228 N232 V233 L234I201-L230 HydrophobicContact CD1-CD1 4.2Å; I201-L230 HydrophobicContact CD1-CD2 3.86Å; I201-L230 HydrophobicContact CD1-CG 4.37Å; I201-L230 HydrophobicContact CG1-CD1 4.14Å; I201-L230 HydrophobicContact CG1-CD2 3.97Å; I201-L230 HydrophobicContact CG2-CD2 3.99Å; P227-L230 HydrophobicContact CG-CD1 4.39Å; P227-L230 PolarHBondContact O-N 2.71Å; L228-L230 VanDerWaalsContact C-N 3.33Å; L230-N232 PolarHBondContact O-N 2.99Å; L230-N232 VanDerWaalsContact O-N 3.13Å; L230-V233 PolarHBondContact O-N 2.99Å; L230-V233 VanDerWaalsContact O-N 3.09Å; L230-L234 PolarHBondContact O-N 2.84Å
231K44.3Very low44.3Very low85 Ų85113.6 Ų113.637%0.3758%0.58SS.*Hα-helixtrans-59.2-25.4173.6-66.2-175.5-179.8177.10112.9L226 P227 L228L226-K231 WeakPolarHBondContact O-CE 3.17Å; P227-K231 PolarHBondContact O-N 3.3Å; L228-K231 PolarHBondContact O-N 2.99Å
232N41.3Very low44.4Very low122 Ų122110.2 Ų110.265%0.65257%0.567SS**Hα-helixtrans-87.1-23.5178.1-78.95000113.7C229 L230C229-N232 PolarHBondContact O-N 3.13Å; L230-N232 PolarHBondContact O-N 2.99Å; L230-N232 VanDerWaalsContact O-N 3.13Å
233V45.5Very low44.3Very low100 Ų100105.6 Ų105.661%0.60655%0.554SS**Hα-helixtrans-77.4-37.5176.4-1790000110.3L230 K235L230-V233 PolarHBondContact O-N 2.99Å; L230-V233 VanDerWaalsContact O-N 3.09Å; V233-K235 PolarHBondContact O-N 3.22Å
234L43Very low44Very low114 Ų114106 Ų10660%0.59755%0.549SS*.THydrogen-bonded Turntrans-77.9-1178.6-67.8168.9000114.7L230L230-L234 PolarHBondContact O-N 2.84Å
235K40.5Very low44.1Very low183 Ų183107.4 Ų107.480%0.79654%0.543SS*.THydrogen-bonded Turntrans-101.610.3177.6-87.3-170.2177.7-175.70114.5V233V233-K235 PolarHBondContact O-N 3.22Å
236K34.7Very low43.8Very low253 Ų253103.9 Ų103.9100%1.152%0.523SS*.  trans-112.60170.7-80.7-173.7175-179.20110

Retrieved 236 of 236 residues in 797.6 ms (Link to these results)

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