A0A077Z9C0_TRITR Loading...

Transcriptional activator protein Pur alpha

AlphaFold DB , UniProt , Accession A0A077Z9C0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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
1M42Very low39.6Very low246 Ų246139.4 Ų139.4100%1.21284%0.839SS**  0131.90-97174.8166.500107.2
2A41.8Very low41.1Very low105 Ų105145.7 Ų145.787%0.86884%0.837SS**  trans71.3128-174.800000114.4
3D36.7Very low44.2Very low148 Ų148140.5 Ų140.579%0.79181%0.805SS**  cis-165.6109.1-0.5-174.921.9000104.9S5D3-S5 PolarHBondContact O-N 3.22Å
4E38.7Very low47.4Very low193 Ų193136.8 Ų136.890%0.90278%0.777SS**  trans-80.194.5172.2-101.7-173.7151.800107.6
5S42.3Very low50.5Low98 Ų98135.8 Ų135.869%0.68576%0.763SS**  trans-59.3124.617050.70000110D3D3-S5 PolarHBondContact O-N 3.22Å
6P40.3Very low53.3Low121 Ų121133.6 Ų133.679%0.78675%0.745SS**  trans-74.2133.8-178.429.6-30.7000109.8E8P6-E8 PolarHBondContact O-N 3.17Å
7A37.7Very low55.9Low100 Ų100128.5 Ų128.583%0.82672%0.715SS**  trans-41.1117.417900000112.6G9A7-G9 PolarHBondContact O-N 3.25Å
8E34.9Very low58.2Low194 Ų194122.3 Ų122.391%0.90768%0.683SS**  trans-53.5107.4173.1-71.5-174.6147.700109.7P6 V10P6-E8 PolarHBondContact O-N 3.17Å; E8-V10 PolarHBondContact O-N 2.95Å
9G34.8Very low60.2Low63 Ų63118.6 Ų118.665%0.64967%0.667SS**  trans-60.4122.6172.700000109A7 V11A7-G9 PolarHBondContact O-N 3.25Å; G9-V11 PolarHBondContact O-N 2.82Å
10V41.1Very low62.1Low132 Ų132119 Ų11980%0.866%0.657SS**  trans-38.3103.8167.3178.30000108.5E8 R12E8-V10 PolarHBondContact O-N 2.95Å; V10-R12 VanDerWaalsContact C-N 3.34Å; V10-R12 PolarHBondContact O-N 3.1Å
11V45Very low63.7Low133 Ų133117.9 Ų117.981%0.80665%0.648SS**  trans-55.8103177.2177.50000105.8G9 D13G9-V11 PolarHBondContact O-N 2.82Å; V11-D13 PolarHBondContact O-N 2.8Å
12R58.2Low66.4Low215 Ų215107.6 Ų107.681%0.81160%0.598SS**  trans-66.5111.3178.3-72.3-178.4179.5164.12.8105V10 E14V10-R12 VanDerWaalsContact C-N 3.34Å; V10-R12 PolarHBondContact O-N 3.1Å; R12-E14 PolarHBondContact O-N 3.06Å
13D81.2Confident69Low79 Ų79107.2 Ų107.242%0.42258%0.579SS.*SBendtrans-64.322.5175.6-149.935000112V11 N36 R37V11-D13 PolarHBondContact O-N 2.8Å; D13-N36 WeakPolarHBondContact O-CA 3.37Å; D13-N36 WeakPolarHBondContact O-CB 3.1Å; D13-R37 VanDerWaalsContact CG-NE 3.25Å; D13-R37 IonicContact OD1-CZ 2.69Å; D13-R37 VanDerWaalsContact OD1-CZ 3.24Å; D13-R37 IonicContact OD1-NE 3.6Å; D13-R37 PolarHBondContact OD1-NE 2.83Å; D13-R37 IonicContact OD1-NH2 3.33Å; D13-R37 PolarHBondContact OD1-NH2 2.86Å; D13-R37 WeakPolarHBondContact OD2-CD 3.32Å; D13-R37 WeakPolarHBondContact OD2-CG 3.33Å; D13-R37 IonicContact OD2-CZ 2.73Å; D13-R37 IonicContact OD2-NE 3.24Å; D13-R37 PolarHBondContact OD2-NE 2.99Å; D13-R37 IonicContact OD2-NH2 3.81Å
14E89.3Confident71.7Confident88 Ų88100.5 Ų100.541%0.41154%0.543SS..EExtended strand (participates in β ladder)trans-131.2110.6-174.1-53.6-164.915100109.6R12 Q35 N36R12-E14 PolarHBondContact O-N 3.06Å; E14-Q35 CarbonylContact C-O 3.57Å; E14-Q35 WeakPolarHBondContact CA-O 3.28Å; E14-N36 HydrophobicContact CG-CB 4.07Å
15E93.7Very high74.3Confident122 Ų12295.9 Ų95.957%0.5752%0.521SS*.EExtended strand (participates in β ladder)trans-85.6139.8170.6-175.3-178.1-175.200109.9L17 K34 Q35E15-L17 HydrophobicContact CG-CD2 4.09Å; E15-K34 CarbonylContact O-C 3.6Å; E15-K34 WeakPolarHBondContact O-CA 3.23Å; E15-K34 WeakPolarHBondContact O-CB 3.32Å; E15-Q35 PolarHBondContact N-O 2.86Å; E15-Q35 PolarHBondContact O-N 2.78Å
16E95.8Very high76.7Confident100 Ų10093.8 Ų93.847%0.46751%0.506SS..EExtended strand (participates in β ladder)trans-101.1120.1173.2-172.8169.4122.700109.6K34E16-K34 HydrophobicContact CB-CG 4.42Å; E16-K34 HydrophobicContact CG-CG 4.37Å; E16-K34 WeakPolarHBondContact OE2-CE 3.42Å; E16-K34 IonicContact OE2-NZ 2.71Å; E16-K34 PolarHBondContact OE2-NZ 2.92Å
17L96.2Very high79.3Confident47 Ų4789.3 Ų89.325%0.24647%0.474CS..EExtended strand (participates in β ladder)trans-94.7-35.1-175.2-58178000112.1E15 V33 Q35 R40 Y159E15-L17 HydrophobicContact CG-CD2 4.09Å; L17-V33 HydrophobicContact CB-CB 4.41Å; L17-V33 HydrophobicContact CB-CG1 4.25Å; L17-V33 HydrophobicContact CD1-CG1 4.21Å; L17-V33 PolarHBondContact N-O 2.96Å; L17-Q35 HydrophobicContact CD1-CB 3.98Å; L17-Q35 HydrophobicContact CG-CB 4.31Å; L17-R40 VanDerWaalsContact CD1-CD 3.49Å; L17-R40 HydrophobicContact CD1-CG 3.88Å; L17-Y159 HydrophobicContact CB-CD1 4.08Å; L17-Y159 HydrophobicContact CB-CE1 4.09Å; L17-Y159 HydrophobicContact CD1-CD1 4.43Å
18A97.4Very high82.1Confident17 Ų1790.1 Ų90.114%0.1446%0.456CS..EExtended strand (participates in β ladder)trans-156.8153.717700000110.8D32 V33 L155 Y159A18-D32 CarbonylContact O-C 3.55Å; A18-D32 WeakPolarHBondContact O-CA 3.49Å; A18-V33 HydrophobicContact CB-CB 4.18Å; A18-V33 HydrophobicContact CB-CG2 4.15Å; A18-V33 PolarHBondContact N-O 2.87Å; A18-V33 PolarHBondContact O-N 3.26Å; A18-L155 HydrophobicContact CB-CD2 4.04Å; A18-Y159 HydrophobicContact CB-CD2 4.16Å; A18-Y159 HydrophobicContact CB-CE1 4.33Å; A18-Y159 HydrophobicContact CB-CE2 3.46Å; A18-Y159 VanDerWaalsContact CB-CE2 3.46Å
19S96.9Very high85.1Confident52 Ų5281 Ų8136%0.36441%0.413SS..EExtended strand (participates in β ladder)trans-135.6138.1168.3-172.70000110.3I31 D32S19-I31 WeakPolarHBondContact CA-O 3.38Å; S19-D32 WeakPolarHBondContact CB-OD1 3.25Å; S19-D32 PolarHBondContact OG-OD1 2.79Å
20R97.3Very high88.1Confident126 Ų12681.4 Ų81.448%0.47540%0.396SS..EExtended strand (participates in β ladder)trans-126138173.4-83-70.9-167.6-111.75.1109.7Y30 I31 E154 L155R20-Y30 CarbonylContact O-C 3.52Å; R20-Y30 WeakPolarHBondContact O-CA 3.49Å; R20-I31 HydrophobicContact CB-CB 4.4Å; R20-I31 PolarHBondContact N-O 3.01Å; R20-I31 PolarHBondContact O-N 3.01Å; R20-E154 IonicContact NE-OE2 2.77Å; R20-E154 IonicContact NH2-OE2 3.67Å; R20-L155 HydrophobicContact CB-CD1 4.32Å; R20-L155 HydrophobicContact CG-CD1 4.24Å; R20-L155 HydrophobicContact CG-CD2 4.13Å; R20-L155 HydrophobicContact CG-CG 4.38Å
21M97.4Very high90.8Very high96 Ų9675.1 Ų75.147%0.47336%0.358SS..EExtended strand (participates in β ladder)trans-115130.1176.1-171.4-78.2-63.800109.9R28 F29 Y30M21-R28 HydrophobicContact SD-CG 4.23Å; M21-F29 CarbonylContact C-O 3.55Å; M21-F29 VanDerWaalsContact CA-O 3.3Å; M21-F29 WeakPolarHBondContact CA-O 3.3Å; M21-Y30 HydrophobicContact CB-CD1 4.08Å; M21-Y30 HydrophobicContact CB-CE1 4.07Å; M21-Y30 HydrophobicContact CG-CD1 3.88Å; M21-Y30 HydrophobicContact CG-CE1 3.53Å
22L97.3Very high93.4Very high30 Ų3069.2 Ų69.216%0.15732%0.322CS..EExtended strand (participates in β ladder)trans-118.7124.6174.8-56.7178.5000109.9I24 R28 F29 I31 L148 A151L22-I24 HydrophobicContact CB-CD1 4.42Å; L22-I24 HydrophobicContact CB-CG1 4.48Å; L22-R28 CarbonylContact O-C 3.53Å; L22-R28 WeakPolarHBondContact O-CA 3.38Å; L22-F29 HydrophobicContact CB-CB 4.35Å; L22-F29 PolarHBondContact N-O 2.81Å; L22-F29 PolarHBondContact O-N 3.04Å; L22-I31 HydrophobicContact CD1-CD1 3.87Å; L22-I31 HydrophobicContact CG-CD1 4.38Å; L22-L148 HydrophobicContact CD1-CB 4.3Å; L22-L148 HydrophobicContact CD1-CD1 4.2Å; L22-A151 HydrophobicContact CD1-CB 3.91Å; L22-A151 HydrophobicContact CD2-CB 4.18Å; L22-A151 HydrophobicContact CG-CB 4.43Å
23Q96.2Very high95.2Very high98 Ų9859 Ų5946%0.45828%0.283SS..EExtended strand (participates in β ladder)trans-90.6119.7167.2-176.774.131.100108.8Q25Q23-Q25 PolarHBondContact NE2-O 2.98Å
24I95.3Very high96Very high7 Ų756.4 Ų56.44%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-128.9111.8177.2-59.2163.6000107.8L22 S26 K27 F29 P141L22-I24 HydrophobicContact CB-CD1 4.42Å; L22-I24 HydrophobicContact CB-CG1 4.48Å; I24-S26 PolarHBondContact O-N 3.44Å; I24-K27 PolarHBondContact N-O 2.79Å; I24-K27 PolarHBondContact O-N 2.69Å; I24-F29 HydrophobicContact CB-CD2 4.31Å; I24-F29 HydrophobicContact CB-CE2 4.15Å; I24-F29 HydrophobicContact CD1-CD2 3.73Å; I24-F29 HydrophobicContact CD1-CE2 3.96Å; I24-F29 HydrophobicContact CG1-CD2 4.3Å; I24-P141 HydrophobicContact CG2-CB 3.84Å; I24-P141 HydrophobicContact CG2-CG 3.74Å
25Q92.3Very high96.2Very high95 Ų9555.4 Ų55.444%0.44426%0.263SS..THydrogen-bonded Turntrans51.1-123.7-171.9-57.7178.9-13.100110.7Q23 P141 E143Q23-Q25 PolarHBondContact NE2-O 2.98Å; Q25-P141 HydrophobicContact CG-CB 4.45Å; Q25-E143 PolarHBondContact NE2-OE2 3.04Å
26S91.9Very high96Very high54 Ų5451.2 Ų51.238%0.37825%0.245SC..THydrogen-bonded Turntrans-89.77.1178.249.90000114.2I24 V49 R118I24-S26 PolarHBondContact O-N 3.44Å; S26-V49 VanDerWaalsContact OG-CG2 3.32Å; S26-V49 WeakPolarHBondContact OG-CG2 3.21Å; S26-R118 PolarHBondContact OG-NH2 3.15Å
27K95Very high95.5Very high28 Ų2854.9 Ų54.912%0.12225%0.254CS..EExtended strand (participates in β ladder)trans-112.6147.5-177.5-59.6-172.3-179.7-168.40111.7I24 F29 E46 A139I24-K27 PolarHBondContact N-O 2.79Å; I24-K27 PolarHBondContact O-N 2.69Å; K27-F29 HydrophobicContact CB-CD2 4.42Å; K27-F29 HydrophobicContact CB-CE2 3.75Å; K27-F29 HydrophobicContact CB-CZ 4.35Å; K27-F29 HydrophobicContact CD-CE2 4.26Å; K27-F29 HydrophobicContact CD-CZ 4.11Å; K27-E46 HydrophobicContact CD-CG 4.18Å; K27-E46 WeakPolarHBondContact CD-OE1 3.32Å; K27-E46 VanDerWaalsContact CE-OE1 3.28Å; K27-E46 WeakPolarHBondContact CE-OE1 3.47Å; K27-E46 IonicContact NZ-OE1 3.19Å; K27-E46 PolarHBondContact NZ-OE1 3.48Å; K27-A139 PolarHBondContact NZ-O 2.65Å
28R96.7Very high94.9Very high117 Ų11760.9 Ų60.944%0.44227%0.274SS..EExtended strand (participates in β ladder)trans-108.3132.7168.9-74.5178.1-70.7-170.4-4110M21 L22 Y30 V47M21-R28 HydrophobicContact SD-CG 4.23Å; L22-R28 CarbonylContact O-C 3.53Å; L22-R28 WeakPolarHBondContact O-CA 3.38Å; R28-Y30 HydrophobicContact CB-CE2 3.89Å; R28-V47 HydrophobicContact CB-CB 4.32Å; R28-V47 PolarHBondContact N-O 2.79Å; R28-V47 PolarHBondContact O-N 2.91Å
29F98.1Very high94.4Very high1 Ų161.5 Ų61.50%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-112.5133.7172.1-66.2-95.2000109.4M21 L22 I24 K27 A45 E46 I140M21-F29 CarbonylContact C-O 3.55Å; M21-F29 VanDerWaalsContact CA-O 3.3Å; M21-F29 WeakPolarHBondContact CA-O 3.3Å; L22-F29 HydrophobicContact CB-CB 4.35Å; L22-F29 PolarHBondContact N-O 2.81Å; L22-F29 PolarHBondContact O-N 3.04Å; I24-F29 HydrophobicContact CB-CD2 4.31Å; I24-F29 HydrophobicContact CB-CE2 4.15Å; I24-F29 HydrophobicContact CD1-CD2 3.73Å; I24-F29 HydrophobicContact CD1-CE2 3.96Å; I24-F29 HydrophobicContact CG1-CD2 4.3Å; K27-F29 HydrophobicContact CB-CD2 4.42Å; K27-F29 HydrophobicContact CB-CE2 3.75Å; K27-F29 HydrophobicContact CB-CZ 4.35Å; K27-F29 HydrophobicContact CD-CE2 4.26Å; K27-F29 HydrophobicContact CD-CZ 4.11Å; F29-A45 CarbonylContact C-O 3.55Å; F29-A45 WeakPolarHBondContact CA-O 3.46Å; F29-E46 HydrophobicContact CD1-CB 4.06Å; F29-E46 HydrophobicContact CD1-CG 4.46Å; F29-E46 HydrophobicContact CE1-CB 3.76Å; F29-E46 HydrophobicContact CE1-CG 3.83Å; F29-E46 HydrophobicContact CZ-CB 4.44Å; F29-E46 HydrophobicContact CZ-CG 4.01Å; F29-I140 HydrophobicContact CE1-CG1 3.87Å; F29-I140 HydrophobicContact CZ-CB 4.46Å; F29-I140 HydrophobicContact CZ-CG1 4.2Å
30Y98.2Very high94.2Very high73 Ų7361.1 Ų61.129%0.28627%0.273SS..EExtended strand (participates in β ladder)trans-115.2126.7173.9-61.6-96000108.2R20 M21 R28 I44 A45 V47R20-Y30 CarbonylContact O-C 3.52Å; R20-Y30 WeakPolarHBondContact O-CA 3.49Å; M21-Y30 HydrophobicContact CB-CD1 4.08Å; M21-Y30 HydrophobicContact CB-CE1 4.07Å; M21-Y30 HydrophobicContact CG-CD1 3.88Å; M21-Y30 HydrophobicContact CG-CE1 3.53Å; R28-Y30 HydrophobicContact CB-CE2 3.89Å; Y30-I44 CarbonylContact O-C 3.59Å; Y30-I44 WeakPolarHBondContact O-CA 3.49Å; Y30-A45 PolarHBondContact N-O 3.27Å; Y30-A45 PolarHBondContact O-N 2.79Å; Y30-V47 HydrophobicContact CD2-CG2 4.07Å; Y30-V47 HydrophobicContact CE2-CG2 3.74Å
31I98.3Very high94.1Very high0 Ų056.3 Ų56.30%026%0.255CS..EExtended strand (participates in β ladder)trans-115.1101179-49.8166.2000106.4S19 R20 L22 M42 K43 I44 L148 A151 L152 L155S19-I31 WeakPolarHBondContact CA-O 3.38Å; R20-I31 HydrophobicContact CB-CB 4.4Å; R20-I31 PolarHBondContact N-O 3.01Å; R20-I31 PolarHBondContact O-N 3.01Å; L22-I31 HydrophobicContact CD1-CD1 3.87Å; L22-I31 HydrophobicContact CG-CD1 4.38Å; I31-M42 HydrophobicContact CG2-SD 4.38Å; I31-K43 WeakPolarHBondContact CA-O 3.38Å; I31-I44 HydrophobicContact CG2-CG1 4.4Å; I31-L148 HydrophobicContact CD1-CD1 3.49Å; I31-L148 VanDerWaalsContact CD1-CD1 3.49Å; I31-L148 HydrophobicContact CG1-CD1 4.17Å; I31-A151 HydrophobicContact CD1-CB 3.81Å; I31-L152 HydrophobicContact CD1-CD2 4.38Å; I31-L152 HydrophobicContact CG2-CD2 3.92Å; I31-L155 HydrophobicContact CB-CD1 4.03Å; I31-L155 HydrophobicContact CG2-CD1 3.45Å; I31-L155 VanDerWaalsContact CG2-CD1 3.45Å
32D98Very high94.1Very high9 Ų951.8 Ų51.85%0.04823%0.233CC..EExtended strand (participates in β ladder)trans-102.2121.6-179.4-45.6-45.3000109A18 S19 K34 M42 K43A18-D32 CarbonylContact O-C 3.55Å; A18-D32 WeakPolarHBondContact O-CA 3.49Å; S19-D32 WeakPolarHBondContact CB-OD1 3.25Å; S19-D32 PolarHBondContact OG-OD1 2.79Å; D32-K34 HydrophobicContact CB-CD 4.41Å; D32-K34 HydrophobicContact CB-CG 4.24Å; D32-M42 CarbonylContact O-C 3.48Å; D32-M42 WeakPolarHBondContact O-CA 3.19Å; D32-K43 HydrophobicContact CB-CB 4.39Å; D32-K43 PolarHBondContact N-O 2.75Å; D32-K43 PolarHBondContact O-N 2.73Å; D32-K43 IonicContact OD2-NZ 2.65Å; D32-K43 PolarHBondContact OD2-NZ 3.02Å
33V97.9Very high94.2Very high0 Ų052.5 Ų52.50%024%0.235CC..EExtended strand (participates in β ladder)trans-84.4120.7167.6-173.10000107.6L17 A18 R40 M42 L155 Y159L17-V33 HydrophobicContact CB-CB 4.41Å; L17-V33 HydrophobicContact CB-CG1 4.25Å; L17-V33 HydrophobicContact CD1-CG1 4.21Å; L17-V33 PolarHBondContact N-O 2.96Å; A18-V33 HydrophobicContact CB-CB 4.18Å; A18-V33 HydrophobicContact CB-CG2 4.15Å; A18-V33 PolarHBondContact N-O 2.87Å; A18-V33 PolarHBondContact O-N 3.26Å; V33-R40 HydrophobicContact CG1-CG 3.95Å; V33-M42 HydrophobicContact CG2-CE 4.15Å; V33-M42 HydrophobicContact CG2-CG 4.18Å; V33-M42 HydrophobicContact CG2-SD 4.36Å; V33-L155 HydrophobicContact CG2-CB 4.13Å; V33-L155 HydrophobicContact CG2-CD1 4.14Å; V33-L155 HydrophobicContact CG2-CD2 3.85Å; V33-L155 HydrophobicContact CG2-CG 4.27Å; V33-Y159 HydrophobicContact CG1-CG 4.13Å; V33-Y159 HydrophobicContact CG2-CD2 4.22Å
34K96.9Very high94.2Very high25 Ų2547.9 Ų47.911%0.10921%0.213CC..EExtended strand (participates in β ladder)trans-129.3154.2-177-64.5178.8179.6-85.80111E15 E16 D32 R40 F41E15-K34 CarbonylContact O-C 3.6Å; E15-K34 WeakPolarHBondContact O-CA 3.23Å; E15-K34 WeakPolarHBondContact O-CB 3.32Å; E16-K34 HydrophobicContact CB-CG 4.42Å; E16-K34 HydrophobicContact CG-CG 4.37Å; E16-K34 WeakPolarHBondContact OE2-CE 3.42Å; E16-K34 IonicContact OE2-NZ 2.71Å; E16-K34 PolarHBondContact OE2-NZ 2.92Å; D32-K34 HydrophobicContact CB-CD 4.41Å; D32-K34 HydrophobicContact CB-CG 4.24Å; K34-R40 CarbonylContact O-C 3.56Å; K34-R40 VanDerWaalsContact O-CA 3.31Å; K34-R40 WeakPolarHBondContact O-CA 3.49Å; K34-R40 VanDerWaalsContact O-CG 3.3Å; K34-R40 WeakPolarHBondContact O-CG 3.49Å; K34-F41 HydrophobicContact CB-CD1 4.48Å; K34-F41 HydrophobicContact CB-CD2 4.46Å; K34-F41 HydrophobicContact CB-CE1 3.89Å; K34-F41 HydrophobicContact CB-CE2 3.88Å; K34-F41 HydrophobicContact CB-CZ 3.58Å; K34-F41 HydrophobicContact CD-CE2 4.16Å; K34-F41 HydrophobicContact CD-CZ 4.17Å; K34-F41 HydrophobicContact CG-CZ 4.5Å; K34-F41 PolarHBondContact N-O 2.85Å; K34-F41 PolarHBondContact O-N 2.83Å; K34-F41 VanDerWaalsContact O-O 3.07Å
35Q93Very high94.4Very high66 Ų6648.1 Ų48.131%0.30822%0.216SC..EExtended strand (participates in β ladder)trans-129.7131176.8-176.9160.5-23.600109.3E14 E15 L17 R40E14-Q35 CarbonylContact C-O 3.57Å; E14-Q35 WeakPolarHBondContact CA-O 3.28Å; E15-Q35 PolarHBondContact N-O 2.86Å; E15-Q35 PolarHBondContact O-N 2.78Å; L17-Q35 HydrophobicContact CD1-CB 3.98Å; L17-Q35 HydrophobicContact CG-CB 4.31Å; Q35-R40 HydrophobicContact CB-CG 4.37Å; Q35-R40 VanDerWaalsContact OE1-NH2 3.12Å
36N90.2Very high94.6Very high35 Ų3544.5 Ų44.519%0.18720%0.199CC..EExtended strand (participates in β ladder)trans-131.1-175.9170.265.423.7000108.9D13 E14 R38 G39 F41D13-N36 WeakPolarHBondContact O-CA 3.37Å; D13-N36 WeakPolarHBondContact O-CB 3.1Å; E14-N36 HydrophobicContact CG-CB 4.07Å; N36-R38 PolarHBondContact O-N 2.72Å; N36-R38 VanDerWaalsContact O-N 3.07Å; N36-R38 WeakPolarHBondContact OD1-CA 3.33Å; N36-R38 VanDerWaalsContact OD1-CB 3.25Å; N36-R38 WeakPolarHBondContact OD1-CB 3.39Å; N36-R38 PolarHBondContact OD1-N 3.06Å; N36-G39 PolarHBondContact N-O 2.79Å; N36-G39 VanDerWaalsContact N-O 3.16Å; N36-G39 PolarHBondContact O-N 2.82Å; N36-G39 PolarHBondContact OD1-N 3.38Å; N36-G39 PolarHBondContact OD1-O 3.34Å; N36-F41 HydrophobicContact CB-CE1 4.27Å; N36-F41 VanDerWaalsContact ND2-CE1 3.33Å; N36-F41 WeakPolarHBondContact ND2-CE1 3.35Å
37R85.4Confident94.8Very high176 Ų17642.8 Ų42.866%0.66419%0.187SC*.THydrogen-bonded Turntrans-51.1-39.3177.9-60.9-175.6-170.3177.18.5111.7D13 G39 R191D13-R37 VanDerWaalsContact CG-NE 3.25Å; D13-R37 IonicContact OD1-CZ 2.69Å; D13-R37 VanDerWaalsContact OD1-CZ 3.24Å; D13-R37 IonicContact OD1-NE 3.6Å; D13-R37 PolarHBondContact OD1-NE 2.83Å; D13-R37 IonicContact OD1-NH2 3.33Å; D13-R37 PolarHBondContact OD1-NH2 2.86Å; D13-R37 WeakPolarHBondContact OD2-CD 3.32Å; D13-R37 WeakPolarHBondContact OD2-CG 3.33Å; D13-R37 IonicContact OD2-CZ 2.73Å; D13-R37 IonicContact OD2-NE 3.24Å; D13-R37 PolarHBondContact OD2-NE 2.99Å; D13-R37 IonicContact OD2-NH2 3.81Å; R37-G39 PolarHBondContact O-N 3.2Å; R37-R191 PolarHBondContact O-NE 2.95Å; R37-R191 PolarHBondContact O-NH2 2.69Å
38R83.3Confident94.6Very high173 Ų17342.1 Ų42.165%0.65319%0.188SC*.THydrogen-bonded Turntrans-70-15.5-176.9-62176.759.8-161.6-3.8113.6N36 R191N36-R38 PolarHBondContact O-N 2.72Å; N36-R38 VanDerWaalsContact O-N 3.07Å; N36-R38 WeakPolarHBondContact OD1-CA 3.33Å; N36-R38 VanDerWaalsContact OD1-CB 3.25Å; N36-R38 WeakPolarHBondContact OD1-CB 3.39Å; N36-R38 PolarHBondContact OD1-N 3.06Å; R38-R191 VanDerWaalsContact CA-NH2 3.33Å
39G87.7Confident93.7Very high31 Ų3141.3 Ų41.332%0.3220%0.195SC..EExtended strand (participates in β ladder)trans126-172.4-179.900000111.4N36 R37N36-G39 PolarHBondContact N-O 2.79Å; N36-G39 VanDerWaalsContact N-O 3.16Å; N36-G39 PolarHBondContact O-N 2.82Å; N36-G39 PolarHBondContact OD1-N 3.38Å; N36-G39 PolarHBondContact OD1-O 3.34Å; R37-G39 PolarHBondContact O-N 3.2Å
40R92.6Very high92.8Very high44 Ų4445 Ų4517%0.16623%0.234CC..EExtended strand (participates in β ladder)trans-85.8143.1179.5-154175.1-67.5140.43.4111.5L17 V33 K34 Q35 V60 Y159 D162 I163L17-R40 VanDerWaalsContact CD1-CD 3.49Å; L17-R40 HydrophobicContact CD1-CG 3.88Å; V33-R40 HydrophobicContact CG1-CG 3.95Å; K34-R40 CarbonylContact O-C 3.56Å; K34-R40 VanDerWaalsContact O-CA 3.31Å; K34-R40 WeakPolarHBondContact O-CA 3.49Å; K34-R40 VanDerWaalsContact O-CG 3.3Å; K34-R40 WeakPolarHBondContact O-CG 3.49Å; Q35-R40 HydrophobicContact CB-CG 4.37Å; Q35-R40 VanDerWaalsContact OE1-NH2 3.12Å; R40-V60 HydrophobicContact CB-CG2 4.17Å; R40-V60 HydrophobicContact CG-CG2 4.48Å; R40-Y159 WeakPolarHBondContact CD-O 3.21Å; R40-Y159 PolarHBondContact NH1-O 3.11Å; R40-D162 IonicContact CZ-OD1 2.85Å; R40-D162 IonicContact CZ-OD2 2.87Å; R40-D162 IonicContact NH1-OD1 3.87Å; R40-D162 PolarHBondContact NH1-OD1 2.8Å; R40-D162 IonicContact NH1-OD2 3.39Å; R40-D162 PolarHBondContact NH1-OD2 2.82Å; R40-D162 IonicContact NH2-OD2 2.86Å; R40-D162 PolarHBondContact NH2-OD2 2.87Å; R40-I163 HydrophobicContact CB-CD1 3.3Å; R40-I163 HydrophobicContact CG-CD1 4.2Å
41F95.2Very high92.2Very high24 Ų2443.7 Ų43.711%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-150.1162.6179.864.3-84000110.1K34 N36 F57 M58K34-F41 HydrophobicContact CB-CD1 4.48Å; K34-F41 HydrophobicContact CB-CD2 4.46Å; K34-F41 HydrophobicContact CB-CE1 3.89Å; K34-F41 HydrophobicContact CB-CE2 3.88Å; K34-F41 HydrophobicContact CB-CZ 3.58Å; K34-F41 HydrophobicContact CD-CE2 4.16Å; K34-F41 HydrophobicContact CD-CZ 4.17Å; K34-F41 HydrophobicContact CG-CZ 4.5Å; K34-F41 PolarHBondContact N-O 2.85Å; K34-F41 PolarHBondContact O-N 2.83Å; K34-F41 VanDerWaalsContact O-O 3.07Å; N36-F41 HydrophobicContact CB-CE1 4.27Å; N36-F41 VanDerWaalsContact ND2-CE1 3.33Å; N36-F41 WeakPolarHBondContact ND2-CE1 3.35Å; F41-F57 HydrophobicContact CD2-CD1 4.07Å; F41-F57 AromaticContact CE2-CD1 3.77Å; F41-F57 HydrophobicContact CE2-CD1 3.77Å; F41-F57 HydrophobicContact CE2-CE1 4.21Å; F41-M58 CarbonylContact C-O 3.51Å; F41-M58 WeakPolarHBondContact CA-O 3.46Å; F41-M58 WeakPolarHBondContact CB-O 3.46Å
42M97.4Very high91.8Very high1 Ų153.6 Ų53.61%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-109.9134.3171.5-59-169.8-17200110.2I31 D32 V33 F57 M58 V63 L152 L155 L156I31-M42 HydrophobicContact CG2-SD 4.38Å; D32-M42 CarbonylContact O-C 3.48Å; D32-M42 WeakPolarHBondContact O-CA 3.19Å; V33-M42 HydrophobicContact CG2-CE 4.15Å; V33-M42 HydrophobicContact CG2-CG 4.18Å; V33-M42 HydrophobicContact CG2-SD 4.36Å; M42-F57 WeakPolarHBondContact O-CA 3.37Å; M42-M58 PolarHBondContact N-O 2.89Å; M42-M58 PolarHBondContact O-N 2.97Å; M42-V63 HydrophobicContact CB-CG2 3.87Å; M42-V63 HydrophobicContact CE-CG1 4.25Å; M42-V63 HydrophobicContact CG-CG2 3.96Å; M42-V63 HydrophobicContact SD-CB 4.29Å; M42-V63 HydrophobicContact SD-CG1 3.75Å; M42-V63 HydrophobicContact SD-CG2 3.86Å; M42-L152 HydrophobicContact SD-CD2 3.99Å; M42-L155 HydrophobicContact CE-CB 3.72Å; M42-L155 HydrophobicContact SD-CB 4.31Å; M42-L156 HydrophobicContact CE-CD2 3.97Å; M42-L156 HydrophobicContact CE-CG 4.08Å
43K97.5Very high91.6Very high46 Ų4660.7 Ų60.720%0.231%0.31CS..EExtended strand (participates in β ladder)trans-103.1116.4170.6172.7-177.6151.4-1140107.8I31 D32 F57I31-K43 WeakPolarHBondContact CA-O 3.38Å; D32-K43 HydrophobicContact CB-CB 4.39Å; D32-K43 PolarHBondContact N-O 2.75Å; D32-K43 PolarHBondContact O-N 2.73Å; D32-K43 IonicContact OD2-NZ 2.65Å; D32-K43 PolarHBondContact OD2-NZ 3.02Å; K43-F57 HydrophobicContact CB-CD1 4.01Å; K43-F57 HydrophobicContact CB-CE1 4.06Å; K43-F57 HydrophobicContact CD-CE1 3.8Å; K43-F57 HydrophobicContact CD-CZ 4.23Å; K43-F57 HydrophobicContact CG-CD1 4.16Å; K43-F57 HydrophobicContact CG-CE1 3.83Å; K43-F57 HydrophobicContact CG-CZ 4.35Å
44I98.1Very high91.5Very high0 Ų062.1 Ų62.10%032%0.32CS..EExtended strand (participates in β ladder)trans-104.8110.1176.1-51.7173.1000107.4Y30 I31 R55 V56 M58 F66 I138 L152Y30-I44 CarbonylContact O-C 3.59Å; Y30-I44 WeakPolarHBondContact O-CA 3.49Å; I31-I44 HydrophobicContact CG2-CG1 4.4Å; I44-R55 CarbonylContact O-C 3.59Å; I44-R55 WeakPolarHBondContact O-CA 3.45Å; I44-V56 HydrophobicContact CB-CG2 3.98Å; I44-V56 PolarHBondContact N-O 3.35Å; I44-V56 PolarHBondContact O-N 2.88Å; I44-M58 HydrophobicContact CD1-SD 4.21Å; I44-F66 HydrophobicContact CD1-CD1 4.41Å; I44-F66 HydrophobicContact CD1-CE1 4.13Å; I44-I138 HydrophobicContact CB-CD1 4.18Å; I44-I138 HydrophobicContact CG2-CD1 3.57Å; I44-L152 HydrophobicContact CD1-CD2 4.28Å
45A97.7Very high91.5Very high12 Ų1267.6 Ų67.610%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-106.7137.4178.900000111.2F29 Y30 S54 R55F29-A45 CarbonylContact C-O 3.55Å; F29-A45 WeakPolarHBondContact CA-O 3.46Å; Y30-A45 PolarHBondContact N-O 3.27Å; Y30-A45 PolarHBondContact O-N 2.79Å; A45-S54 CarbonylContact C-O 3.49Å; A45-S54 VanDerWaalsContact CA-O 3.25Å; A45-S54 WeakPolarHBondContact CA-O 3.33Å; A45-R55 HydrophobicContact CB-CB 4.11Å
46E97.3Very high91.7Very high20 Ų2064.5 Ų64.59%0.09333%0.326CS..EExtended strand (participates in β ladder)trans-105135170.2176.5-169161.900109K27 F29 K53 S54 I138 A139K27-E46 HydrophobicContact CD-CG 4.18Å; K27-E46 WeakPolarHBondContact CD-OE1 3.32Å; K27-E46 VanDerWaalsContact CE-OE1 3.28Å; K27-E46 WeakPolarHBondContact CE-OE1 3.47Å; K27-E46 IonicContact NZ-OE1 3.19Å; K27-E46 PolarHBondContact NZ-OE1 3.48Å; F29-E46 HydrophobicContact CD1-CB 4.06Å; F29-E46 HydrophobicContact CD1-CG 4.46Å; F29-E46 HydrophobicContact CE1-CB 3.76Å; F29-E46 HydrophobicContact CE1-CG 3.83Å; F29-E46 HydrophobicContact CZ-CB 4.44Å; F29-E46 HydrophobicContact CZ-CG 4.01Å; E46-K53 WeakPolarHBondContact O-CA 3.17Å; E46-S54 PolarHBondContact N-O 3.3Å; E46-S54 PolarHBondContact O-N 3.41Å; E46-I138 HydrophobicContact CB-CB 4.12Å; E46-I138 HydrophobicContact CB-CG2 3.79Å; E46-I138 VanDerWaalsContact OE2-CA 3.23Å; E46-I138 WeakPolarHBondContact OE2-CA 3.47Å; E46-A139 PolarHBondContact OE2-N 2.87Å
47V96.7Very high92Very high18 Ų1865.8 Ų65.811%0.10933%0.33CS..EExtended strand (participates in β ladder)trans-118108.2167.2-174.40000108R28 Y30 K53R28-V47 HydrophobicContact CB-CB 4.32Å; R28-V47 PolarHBondContact N-O 2.79Å; R28-V47 PolarHBondContact O-N 2.91Å; Y30-V47 HydrophobicContact CD2-CG2 4.07Å; Y30-V47 HydrophobicContact CE2-CG2 3.74Å; V47-K53 HydrophobicContact CG2-CG 4.24Å
48G89.9Confident92.5Very high14 Ų1457.4 Ų57.414%0.14430%0.298CS..  trans-80.6176.8179.500000113.8G50 G51 R52G48-G50 PolarHBondContact O-N 2.86Å; G48-G51 PolarHBondContact O-N 2.91Å; G48-R52 PolarHBondContact N-O 2.85Å
49V77.5Confident93Very high99 Ų9950.3 Ų50.360%0.628%0.275SS*.THydrogen-bonded Turntrans-62.1-16.7-172.4-149.80000114.3S26S26-V49 VanDerWaalsContact OG-CG2 3.32Å; S26-V49 WeakPolarHBondContact OG-CG2 3.21Å
50G80.8Confident93.2Very high79 Ų7949 Ų4981%0.81426%0.261SS*.THydrogen-bonded Turntrans-108.219.8175.600000114.1G48 R52G48-G50 PolarHBondContact O-N 2.86Å; G50-R52 PolarHBondContact O-N 2.9Å; G50-R52 VanDerWaalsContact O-N 3.1Å
51G84.6Confident93.1Very high45 Ų4553 Ų5346%0.46428%0.279SS..SBendtrans73.2-1.6-176.600000114.7G48 K53G48-G51 PolarHBondContact O-N 2.91Å; G51-K53 WeakPolarHBondContact O-CG 3.46Å; G51-K53 PolarHBondContact O-N 3.06Å; G51-K53 VanDerWaalsContact O-N 3.15Å
52R90.2Very high93.1Very high208 Ų20851.9 Ų51.979%0.78528%0.275SS*.  trans-57120.4173.7-174.3176.6-176.9167.32.7109.2G48 G50G48-R52 PolarHBondContact N-O 2.85Å; G50-R52 PolarHBondContact O-N 2.9Å; G50-R52 VanDerWaalsContact O-N 3.1Å
53K94.3Very high93Very high159 Ų15951.9 Ų51.969%0.69128%0.275SS*.EExtended strand (participates in β ladder)trans-100.9130.8178-53.7-172.3-177.51750109.5E46 V47 G51E46-K53 WeakPolarHBondContact O-CA 3.17Å; V47-K53 HydrophobicContact CG2-CG 4.24Å; G51-K53 WeakPolarHBondContact O-CG 3.46Å; G51-K53 PolarHBondContact O-N 3.06Å; G51-K53 VanDerWaalsContact O-N 3.15Å
54S96.1Very high92.9Very high30 Ų3051 Ų5121%0.2127%0.274CS..EExtended strand (participates in β ladder)trans-132.7161.5167.159.70000109.4A45 E46 Q137A45-S54 CarbonylContact C-O 3.49Å; A45-S54 VanDerWaalsContact CA-O 3.25Å; A45-S54 WeakPolarHBondContact CA-O 3.33Å; E46-S54 PolarHBondContact N-O 3.3Å; E46-S54 PolarHBondContact O-N 3.41Å; S54-Q137 WeakPolarHBondContact CB-O 3.09Å; S54-Q137 PolarHBondContact OG-O 2.88Å
55R96.7Very high92.7Very high140 Ų14053.6 Ų53.653%0.52829%0.287SS..EExtended strand (participates in β ladder)trans-156.8147.4-173.761.8-146.3172-156.8-0.2111.6I44 A45 F57 S136I44-R55 CarbonylContact O-C 3.59Å; I44-R55 WeakPolarHBondContact O-CA 3.45Å; A45-R55 HydrophobicContact CB-CB 4.11Å; R55-F57 HydrophobicContact CG-CE2 3.94Å; R55-F57 HydrophobicContact CG-CZ 4.3Å; R55-S136 WeakPolarHBondContact O-CB 3.21Å; R55-S136 PolarHBondContact O-OG 3.36Å
56V96.9Very high92.7Very high0 Ų053 Ų530%028%0.282CS..EExtended strand (participates in β ladder)trans-124.2153168.3-640000109.2I44 M58 Q126 I138I44-V56 HydrophobicContact CB-CG2 3.98Å; I44-V56 PolarHBondContact N-O 3.35Å; I44-V56 PolarHBondContact O-N 2.88Å; V56-M58 HydrophobicContact CG2-CE 4.12Å; V56-Q126 HydrophobicContact CB-CB 4.39Å; V56-Q126 HydrophobicContact CG1-CB 4.02Å; V56-I138 HydrophobicContact CG1-CG1 4.42Å; V56-I138 HydrophobicContact CG1-CG2 4.45Å; V56-I138 HydrophobicContact CG2-CD1 3.8Å; V56-I138 HydrophobicContact CG2-CG1 4.12Å
57F95.7Very high92.7Very high62 Ų6254.2 Ų54.227%0.27229%0.287SS..EExtended strand (participates in β ladder)trans-121.2124.7-179.8-61.3-95.1000108.8F41 M42 K43 R55 Y109 Q126F41-F57 HydrophobicContact CD2-CD1 4.07Å; F41-F57 AromaticContact CE2-CD1 3.77Å; F41-F57 HydrophobicContact CE2-CD1 3.77Å; F41-F57 HydrophobicContact CE2-CE1 4.21Å; M42-F57 WeakPolarHBondContact O-CA 3.37Å; K43-F57 HydrophobicContact CB-CD1 4.01Å; K43-F57 HydrophobicContact CB-CE1 4.06Å; K43-F57 HydrophobicContact CD-CE1 3.8Å; K43-F57 HydrophobicContact CD-CZ 4.23Å; K43-F57 HydrophobicContact CG-CD1 4.16Å; K43-F57 HydrophobicContact CG-CE1 3.83Å; K43-F57 HydrophobicContact CG-CZ 4.35Å; R55-F57 HydrophobicContact CG-CE2 3.94Å; R55-F57 HydrophobicContact CG-CZ 4.3Å; F57-Y109 WeakPolarHBondContact O-CE1 3.21Å; F57-Y109 PolarHBondContact O-OH 2.85Å; F57-Q126 PolarHBondContact O-OE1 3.16Å; F57-Q126 VanDerWaalsContact O-OE1 3.13Å
58M95.6Very high92.7Very high1 Ų158 Ų581%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-127137.5-179.2-65.8-179.8-17800109.7F41 M42 I44 V56 A62 V63 F66 Y109 V124F41-M58 CarbonylContact C-O 3.51Å; F41-M58 WeakPolarHBondContact CA-O 3.46Å; F41-M58 WeakPolarHBondContact CB-O 3.46Å; M42-M58 PolarHBondContact N-O 2.89Å; M42-M58 PolarHBondContact O-N 2.97Å; I44-M58 HydrophobicContact CD1-SD 4.21Å; V56-M58 HydrophobicContact CG2-CE 4.12Å; M58-A62 HydrophobicContact CB-CB 4.08Å; M58-V63 HydrophobicContact CB-CG2 3.58Å; M58-V63 HydrophobicContact SD-CG2 4.39Å; M58-F66 HydrophobicContact CE-CD1 3.9Å; M58-F66 HydrophobicContact CE-CE1 4.18Å; M58-F66 HydrophobicContact CE-CG 4.15Å; M58-F66 HydrophobicContact SD-CB 4.11Å; M58-F66 HydrophobicContact SD-CD1 3.68Å; M58-F66 HydrophobicContact SD-CE1 4.4Å; M58-F66 HydrophobicContact SD-CG 4.05Å; M58-Y109 HydrophobicContact CE-CD1 3.75Å; M58-Y109 HydrophobicContact CE-CE1 4.17Å; M58-Y109 HydrophobicContact CE-CG 4.3Å; M58-Y109 HydrophobicContact CG-CD1 4.09Å; M58-Y109 HydrophobicContact CG-CE1 3.56Å; M58-V124 HydrophobicContact CE-CG1 3.63Å
59S93.8Very high93Very high24 Ų2460.6 Ų60.617%0.16831%0.307CS..EExtended strand (participates in β ladder)trans-65.6163.3166.367.30000110.7K61 A62 V63 Q104S59-K61 PolarHBondContact O-N 3.22Å; S59-K61 PolarHBondContact OG-N 2.97Å; S59-A62 PolarHBondContact O-N 3.33Å; S59-A62 PolarHBondContact OG-N 2.96Å; S59-V63 WeakPolarHBondContact O-CG2 3.47Å; S59-V63 PolarHBondContact O-N 2.79Å; S59-Q104 PolarHBondContact OG-NE2 3.21Å; S59-Q104 PolarHBondContact OG-OE1 2.95Å
60V93.5Very high94Very high2 Ų255.9 Ų55.91%0.01228%0.279CS..Hα-helixtrans-50.1-42.6171176.70000111.8R40 V63 S64 L156 I163 V164R40-V60 HydrophobicContact CB-CG2 4.17Å; R40-V60 HydrophobicContact CG-CG2 4.48Å; V60-V63 PolarHBondContact O-N 2.99Å; V60-S64 PolarHBondContact O-N 3.4Å; V60-L156 HydrophobicContact CG1-CD2 3.74Å; V60-I163 HydrophobicContact CB-CG2 4.17Å; V60-I163 HydrophobicContact CG1-CB 4.34Å; V60-I163 HydrophobicContact CG1-CG2 4.27Å; V60-I163 HydrophobicContact CG2-CD1 3.83Å; V60-V164 HydrophobicContact CG1-CG2 4.03Å
61K90.1Very high94.7Very high128 Ų12855.2 Ų55.256%0.55726%0.256SS*.Hα-helixtrans-62.3-44.7176.5-175.8169.6-175.8162.50112.8S59 V63 S64 E65S59-K61 PolarHBondContact O-N 3.22Å; S59-K61 PolarHBondContact OG-N 2.97Å; K61-V63 VanDerWaalsContact C-N 3.33Å; K61-S64 PolarHBondContact O-N 2.86Å; K61-E65 PolarHBondContact O-N 3.01Å; K61-E65 VanDerWaalsContact O-N 3.11Å
62A94.3Very high95.3Very high2 Ų257 Ų572%0.01725%0.254CS..Hα-helixtrans-68.7-32.3177.300000112.5M58 S59 E65 F66 Q104 Y109M58-A62 HydrophobicContact CB-CB 4.08Å; S59-A62 PolarHBondContact O-N 3.33Å; S59-A62 PolarHBondContact OG-N 2.96Å; A62-E65 PolarHBondContact O-N 2.84Å; A62-F66 WeakPolarHBondContact O-CB 3.47Å; A62-F66 PolarHBondContact O-N 2.88Å; A62-Q104 HydrophobicContact CB-CB 4.28Å; A62-Q104 HydrophobicContact CB-CG 4.14Å; A62-Y109 HydrophobicContact CB-CE2 4.06Å
63V96.7Very high95.6Very high0 Ų047.1 Ų47.10%022%0.217CC..Hα-helixtrans-66.4-41.2173178.50000110.8M42 M58 S59 V60 K61 E65 F66 K67 L152 L156M42-V63 HydrophobicContact CB-CG2 3.87Å; M42-V63 HydrophobicContact CE-CG1 4.25Å; M42-V63 HydrophobicContact CG-CG2 3.96Å; M42-V63 HydrophobicContact SD-CB 4.29Å; M42-V63 HydrophobicContact SD-CG1 3.75Å; M42-V63 HydrophobicContact SD-CG2 3.86Å; M58-V63 HydrophobicContact CB-CG2 3.58Å; M58-V63 HydrophobicContact SD-CG2 4.39Å; S59-V63 WeakPolarHBondContact O-CG2 3.47Å; S59-V63 PolarHBondContact O-N 2.79Å; V60-V63 PolarHBondContact O-N 2.99Å; K61-V63 VanDerWaalsContact C-N 3.33Å; V63-E65 PolarHBondContact O-N 2.88Å; V63-F66 PolarHBondContact O-N 3.06Å; V63-K67 PolarHBondContact O-N 3.41Å; V63-L152 HydrophobicContact CG1-CB 4.17Å; V63-L152 HydrophobicContact CG1-CD1 4.22Å; V63-L152 HydrophobicContact CG1-CD2 3.8Å; V63-L152 HydrophobicContact CG1-CG 4.27Å; V63-L156 HydrophobicContact CB-CD2 4.17Å; V63-L156 HydrophobicContact CG1-CD1 3.92Å; V63-L156 HydrophobicContact CG1-CD2 4.03Å; V63-L156 HydrophobicContact CG1-CG 3.93Å
64S94Very high95.7Very high28 Ų2840 Ų4020%0.19619%0.187CC..Hα-helixtrans-59.6-45.4175.3-175.40000111.8V60 K61 K67 K68V60-S64 PolarHBondContact O-N 3.4Å; K61-S64 PolarHBondContact O-N 2.86Å; S64-K67 PolarHBondContact O-N 3.31Å; S64-K68 PolarHBondContact O-N 3.4Å
65E95.1Very high95.7Very high55 Ų5542.2 Ų42.226%0.25720%0.196SC..Hα-helixtrans-65-40.9172.9-72.6-56.2127.400112.4K61 A62 V63 K67 K68 R69 I102K61-E65 PolarHBondContact O-N 3.01Å; K61-E65 VanDerWaalsContact O-N 3.11Å; A62-E65 PolarHBondContact O-N 2.84Å; V63-E65 PolarHBondContact O-N 2.88Å; E65-K67 VanDerWaalsContact C-N 3.33Å; E65-K67 PolarHBondContact O-N 3.05Å; E65-K68 WeakPolarHBondContact O-CB 3.26Å; E65-K68 PolarHBondContact O-N 3.28Å; E65-K68 IonicContact OE1-NZ 3.52Å; E65-K68 PolarHBondContact OE1-NZ 2.75Å; E65-R69 WeakPolarHBondContact O-CG 3.43Å; E65-R69 PolarHBondContact O-N 2.71Å; E65-I102 HydrophobicContact CB-CD1 4.28Å; E65-I102 HydrophobicContact CB-CG1 4.48Å; E65-I102 HydrophobicContact CB-CG2 4.05Å
66F97.7Very high95.6Very high0 Ų038 Ų380%018%0.181CC..Hα-helixtrans-61.9-40.6178.2-178.2-137.8000112.2I44 M58 A62 V63 K68 R69 L70 I102 L111 L122 V124 I140 L148 L152I44-F66 HydrophobicContact CD1-CD1 4.41Å; I44-F66 HydrophobicContact CD1-CE1 4.13Å; M58-F66 HydrophobicContact CE-CD1 3.9Å; M58-F66 HydrophobicContact CE-CE1 4.18Å; M58-F66 HydrophobicContact CE-CG 4.15Å; M58-F66 HydrophobicContact SD-CB 4.11Å; M58-F66 HydrophobicContact SD-CD1 3.68Å; M58-F66 HydrophobicContact SD-CE1 4.4Å; M58-F66 HydrophobicContact SD-CG 4.05Å; A62-F66 WeakPolarHBondContact O-CB 3.47Å; A62-F66 PolarHBondContact O-N 2.88Å; V63-F66 PolarHBondContact O-N 3.06Å; F66-K68 VanDerWaalsContact C-N 3.33Å; F66-K68 PolarHBondContact O-N 2.92Å; F66-R69 PolarHBondContact O-N 2.89Å; F66-R69 VanDerWaalsContact O-N 3.17Å; F66-L70 HydrophobicContact CD1-CD1 4.31Å; F66-L70 HydrophobicContact CD2-CG 4.15Å; F66-L70 HydrophobicContact CE1-CD1 3.99Å; F66-L70 HydrophobicContact CE1-CG 4.46Å; F66-L70 HydrophobicContact CE2-CD1 4.21Å; F66-L70 HydrophobicContact CE2-CD2 3.83Å; F66-L70 HydrophobicContact CE2-CG 3.78Å; F66-L70 HydrophobicContact CZ-CD1 3.92Å; F66-L70 HydrophobicContact CZ-CD2 3.86Å; F66-L70 HydrophobicContact CZ-CG 3.94Å; F66-L70 WeakPolarHBondContact O-CG 3.37Å; F66-L70 PolarHBondContact O-N 3.2Å; F66-I102 VanDerWaalsContact CA-CD1 3.47Å; F66-I102 HydrophobicContact CB-CD1 3.74Å; F66-I102 HydrophobicContact CD2-CD1 4.23Å; F66-I102 HydrophobicContact CG-CD1 4.42Å; F66-L111 HydrophobicContact CD2-CD1 4.04Å; F66-L111 HydrophobicContact CD2-CD2 3.96Å; F66-L111 HydrophobicContact CE2-CD1 4.34Å; F66-L111 HydrophobicContact CE2-CD2 3.8Å; F66-L122 HydrophobicContact CE2-CD2 4.18Å; F66-V124 HydrophobicContact CE2-CG2 3.93Å; F66-V124 HydrophobicContact CZ-CG2 3.76Å; F66-I140 HydrophobicContact CZ-CD1 4.11Å; F66-L148 HydrophobicContact CE1-CD2 4.16Å; F66-L148 HydrophobicContact CZ-CD2 4.27Å; F66-L152 HydrophobicContact CD1-CD1 3.77Å; F66-L152 HydrophobicContact CE1-CD1 3.96Å
67K96.6Very high95.5Very high44 Ų4439.5 Ų39.519%0.19119%0.186CC..Hα-helixtrans-55.5-46.9172.9-172-175.170.6175.10111.6V63 S64 E65 R69 L70 I71 R149 D153 L156V63-K67 PolarHBondContact O-N 3.41Å; S64-K67 PolarHBondContact O-N 3.31Å; E65-K67 VanDerWaalsContact C-N 3.33Å; E65-K67 PolarHBondContact O-N 3.05Å; K67-R69 PolarHBondContact O-N 3.12Å; K67-L70 PolarHBondContact O-N 2.9Å; K67-I71 PolarHBondContact O-N 2.95Å; K67-R149 HydrophobicContact CG-CG 3.91Å; K67-D153 HydrophobicContact CD-CB 4.05Å; K67-D153 VanDerWaalsContact CD-OD1 3.26Å; K67-D153 WeakPolarHBondContact CD-OD1 3.37Å; K67-D153 WeakPolarHBondContact CE-OD1 3.29Å; K67-D153 IonicContact NZ-OD1 2.66Å; K67-D153 PolarHBondContact NZ-OD1 3.14Å; K67-L156 HydrophobicContact CD-CD1 4.18Å
68K96.2Very high95.5Very high99 Ų9942 Ų4243%0.4320%0.197SC..Hα-helixtrans-61.7-43.2177-62.4172.6-170.4170.70111.6S64 E65 F66 L70 I71 N72S64-K68 PolarHBondContact O-N 3.4Å; E65-K68 WeakPolarHBondContact O-CB 3.26Å; E65-K68 PolarHBondContact O-N 3.28Å; E65-K68 IonicContact OE1-NZ 3.52Å; E65-K68 PolarHBondContact OE1-NZ 2.75Å; F66-K68 VanDerWaalsContact C-N 3.33Å; F66-K68 PolarHBondContact O-N 2.92Å; K68-L70 VanDerWaalsContact C-N 3.35Å; K68-L70 PolarHBondContact O-N 2.93Å; K68-I71 PolarHBondContact O-N 3.39Å; K68-N72 PolarHBondContact O-N 3.48Å
69R96.9Very high95.3Very high67 Ų6747 Ų4725%0.25322%0.22SC..Hα-helixtrans-69.5-30.9178.7-55.5-41.5174.4101.40.9112.6E65 F66 K67 I71 N72 M73 D100 I102 L111E65-R69 WeakPolarHBondContact O-CG 3.43Å; E65-R69 PolarHBondContact O-N 2.71Å; F66-R69 PolarHBondContact O-N 2.89Å; F66-R69 VanDerWaalsContact O-N 3.17Å; K67-R69 PolarHBondContact O-N 3.12Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-N72 PolarHBondContact O-N 2.83Å; R69-M73 WeakPolarHBondContact O-CG 3.2Å; R69-M73 PolarHBondContact O-N 3.44Å; R69-D100 VanDerWaalsContact CD-OD2 3.28Å; R69-D100 WeakPolarHBondContact CD-OD2 3.13Å; R69-D100 IonicContact CZ-OD1 2.6Å; R69-D100 IonicContact CZ-OD2 4Å; R69-D100 IonicContact NE-OD2 2.84Å; R69-D100 IonicContact NH1-OD1 3.35Å; R69-D100 PolarHBondContact NH1-OD1 3.49Å; R69-D100 IonicContact NH1-OD2 2.81Å; R69-D100 PolarHBondContact NH1-OD2 3.08Å; R69-I102 HydrophobicContact CG-CD1 4.15Å; R69-I102 HydrophobicContact CG-CG1 4.15Å; R69-L111 HydrophobicContact CB-CD1 3.54Å; R69-L111 HydrophobicContact CG-CD1 3.95Å
70L97.5Very high95.1Very high0 Ų047.1 Ų47.10%022%0.219CC..Hα-helixtrans-60.8-41.9172.6-76.8171.7000111.8F66 K67 K68 N72 M73 E74 L122 M145 L148 R149 L152F66-L70 HydrophobicContact CD1-CD1 4.31Å; F66-L70 HydrophobicContact CD2-CG 4.15Å; F66-L70 HydrophobicContact CE1-CD1 3.99Å; F66-L70 HydrophobicContact CE1-CG 4.46Å; F66-L70 HydrophobicContact CE2-CD1 4.21Å; F66-L70 HydrophobicContact CE2-CD2 3.83Å; F66-L70 HydrophobicContact CE2-CG 3.78Å; F66-L70 HydrophobicContact CZ-CD1 3.92Å; F66-L70 HydrophobicContact CZ-CD2 3.86Å; F66-L70 HydrophobicContact CZ-CG 3.94Å; F66-L70 WeakPolarHBondContact O-CG 3.37Å; F66-L70 PolarHBondContact O-N 3.2Å; K67-L70 PolarHBondContact O-N 2.9Å; K68-L70 VanDerWaalsContact C-N 3.35Å; K68-L70 PolarHBondContact O-N 2.93Å; L70-N72 VanDerWaalsContact C-N 3.31Å; L70-N72 PolarHBondContact O-N 3.3Å; L70-M73 PolarHBondContact O-N 2.86Å; L70-M73 VanDerWaalsContact O-N 3.16Å; L70-E74 WeakPolarHBondContact O-CB 3.4Å; L70-E74 WeakPolarHBondContact O-CG 3.21Å; L70-E74 PolarHBondContact O-N 2.8Å; L70-L122 HydrophobicContact CD2-CD2 3.57Å; L70-M145 HydrophobicContact CD2-CB 4.29Å; L70-M145 HydrophobicContact CD2-CG 4.33Å; L70-L148 HydrophobicContact CD1-CD2 4.28Å; L70-L148 HydrophobicContact CD1-CG 4.25Å; L70-R149 HydrophobicContact CB-CB 4.3Å; L70-R149 HydrophobicContact CB-CG 4.45Å; L70-R149 HydrophobicContact CD1-CB 4.11Å; L70-L152 HydrophobicContact CD1-CD1 3.97Å
71I97.2Very high94.7Very high66 Ų6651.6 Ų51.634%0.33824%0.24SC..Hα-helixtrans-56.8-47.1174.9-61.9168.3000110.6K67 K68 R69 M73 E74 N75K67-I71 PolarHBondContact O-N 2.95Å; K68-I71 PolarHBondContact O-N 3.39Å; R69-I71 VanDerWaalsContact C-N 3.34Å; I71-M73 VanDerWaalsContact C-N 3.32Å; I71-M73 PolarHBondContact O-N 2.61Å; I71-E74 PolarHBondContact O-N 3.2Å; I71-N75 VanDerWaalsContact O-CG 3.32Å; I71-N75 PolarHBondContact O-N 3.07Å
72N96.4Very high94.4Very high81 Ų8149.1 Ų49.143%0.43324%0.238SC..Hα-helixtrans-62.9-38.5179.3-64.7-12.2000112.3K68 R69 L70 Y76K68-N72 PolarHBondContact O-N 3.48Å; R69-N72 PolarHBondContact O-N 2.83Å; L70-N72 VanDerWaalsContact C-N 3.31Å; L70-N72 PolarHBondContact O-N 3.3Å; N72-Y76 WeakPolarHBondContact O-CB 3.19Å; N72-Y76 PolarHBondContact O-N 3.16Å; N72-Y76 VanDerWaalsContact O-N 3.14Å
73M96.5Very high93.6Very high1 Ų155.1 Ų55.11%0.00527%0.266CS..Hα-helixtrans-72.4-35.9177.2-64.8-64.6177.900112.2R69 L70 I71 Y77 K98 D100 L111 F113 L122 M145R69-M73 WeakPolarHBondContact O-CG 3.2Å; R69-M73 PolarHBondContact O-N 3.44Å; L70-M73 PolarHBondContact O-N 2.86Å; L70-M73 VanDerWaalsContact O-N 3.16Å; I71-M73 VanDerWaalsContact C-N 3.32Å; I71-M73 PolarHBondContact O-N 2.61Å; M73-Y77 WeakPolarHBondContact O-CB 3.48Å; M73-Y77 PolarHBondContact O-N 3.3Å; M73-K98 HydrophobicContact CE-CD 4.41Å; M73-K98 HydrophobicContact CE-CG 4.18Å; M73-K98 HydrophobicContact SD-CB 4.27Å; M73-K98 HydrophobicContact SD-CD 3.82Å; M73-K98 HydrophobicContact SD-CG 4.04Å; M73-D100 HydrophobicContact CE-CB 3.68Å; M73-L111 HydrophobicContact CE-CB 4.25Å; M73-F113 HydrophobicContact SD-CB 3.95Å; M73-L122 HydrophobicContact CG-CD1 4.16Å; M73-L122 HydrophobicContact CG-CD2 4.5Å; M73-L122 HydrophobicContact SD-CD1 4.35Å; M73-M145 HydrophobicContact CB-CE 4.42Å; M73-M145 HydrophobicContact CB-SD 3.98Å
74E96.2Very high92.1Very high11 Ų1158.4 Ų58.45%0.05129%0.293CS..Hα-helixtrans-63.3-46.1173.6-77.2168.3-143.300111.5L70 I71 Y77 K78 M145 Q146 R149L70-E74 WeakPolarHBondContact O-CB 3.4Å; L70-E74 WeakPolarHBondContact O-CG 3.21Å; L70-E74 PolarHBondContact O-N 2.8Å; I71-E74 PolarHBondContact O-N 3.2Å; E74-Y77 PolarHBondContact O-N 2.92Å; E74-K78 WeakPolarHBondContact O-CG 3.24Å; E74-K78 PolarHBondContact O-N 2.86Å; E74-M145 HydrophobicContact CG-CB 3.76Å; E74-M145 HydrophobicContact CG-CE 4.3Å; E74-M145 VanDerWaalsContact OE1-C 3.27Å; E74-Q146 VanDerWaalsContact OE1-CA 3.31Å; E74-Q146 WeakPolarHBondContact OE1-CA 3.43Å; E74-Q146 PolarHBondContact OE1-N 3.42Å; E74-R149 WeakPolarHBondContact OE1-CB 3.49Å; E74-R149 WeakPolarHBondContact OE1-CD 3.26Å; E74-R149 IonicContact OE1-NE 3.84Å; E74-R149 PolarHBondContact OE1-NE 3.13Å; E74-R149 VanDerWaalsContact OE1-NE 3.14Å; E74-R149 IonicContact OE2-CZ 3.18Å; E74-R149 IonicContact OE2-NE 2.74Å; E74-R149 PolarHBondContact OE2-NE 2.84Å; E74-R149 IonicContact OE2-NH2 3.01Å; E74-R149 PolarHBondContact OE2-NH2 2.84Å
75N95.9Very high90.4Very high75 Ų7563.1 Ų63.140%0.40132%0.321SS..Hα-helixtrans-62-46.6177.2-69-14.7000111.1I71 Y77 K78 E79I71-N75 VanDerWaalsContact O-CG 3.32Å; I71-N75 PolarHBondContact O-N 3.07Å; N75-Y77 VanDerWaalsContact C-N 3.3Å; N75-Y77 PolarHBondContact O-N 3.06Å; N75-K78 WeakPolarHBondContact O-CB 3.43Å; N75-K78 PolarHBondContact O-N 2.84Å; N75-K78 VanDerWaalsContact O-N 3.16Å; N75-E79 WeakPolarHBondContact O-CG 3.34Å; N75-E79 PolarHBondContact O-N 2.85Å
76Y95.3Very high88.5Confident53 Ų5368.6 Ų68.621%0.20835%0.346CS..Hα-helixtrans-61-37.6175.9-179.1-112.4000112.8N72 E79 I80 L97 K98 F113N72-Y76 WeakPolarHBondContact O-CB 3.19Å; N72-Y76 PolarHBondContact O-N 3.16Å; N72-Y76 VanDerWaalsContact O-N 3.14Å; Y76-E79 PolarHBondContact O-N 3.31Å; Y76-I80 HydrophobicContact CD1-CD1 3.64Å; Y76-I80 HydrophobicContact CD2-CD1 4.35Å; Y76-I80 HydrophobicContact CE1-CD1 3.13Å; Y76-I80 HydrophobicContact CE1-CG1 4.18Å; Y76-I80 HydrophobicContact CE2-CD1 3.91Å; Y76-I80 HydrophobicContact CE2-CG1 4.09Å; Y76-I80 HydrophobicContact CG-CD1 4.23Å; Y76-I80 WeakPolarHBondContact O-CG1 3.47Å; Y76-I80 PolarHBondContact O-N 3.14Å; Y76-I80 VanDerWaalsContact O-N 3.14Å; Y76-L97 HydrophobicContact CE1-CB 3.97Å; Y76-L97 PolarHBondContact OH-O 2.86Å; Y76-K98 HydrophobicContact CD1-CB 3.8Å; Y76-K98 HydrophobicContact CD1-CD 3.57Å; Y76-K98 HydrophobicContact CD1-CG 4.35Å; Y76-K98 HydrophobicContact CD2-CD 4.07Å; Y76-K98 HydrophobicContact CE1-CB 3.52Å; Y76-K98 HydrophobicContact CE1-CD 4.04Å; Y76-K98 HydrophobicContact CE1-CG 4.4Å; Y76-K98 HydrophobicContact CG-CD 3.58Å; Y76-F113 HydrophobicContact CD1-CD1 4.02Å; Y76-F113 HydrophobicContact CD1-CE1 4.43Å; Y76-F113 HydrophobicContact CE1-CD1 4.08Å
77Y95Very high85.9Confident31 Ų3171.9 Ų71.912%0.12238%0.38CS..Hα-helixtrans-63.2-42.1175.4174.7-122.4000112.1M73 E74 N75 I80 E81 F113 K120 A142 M145M73-Y77 WeakPolarHBondContact O-CB 3.48Å; M73-Y77 PolarHBondContact O-N 3.3Å; E74-Y77 PolarHBondContact O-N 2.92Å; N75-Y77 VanDerWaalsContact C-N 3.3Å; N75-Y77 PolarHBondContact O-N 3.06Å; Y77-I80 PolarHBondContact O-N 2.56Å; Y77-E81 HydrophobicContact CD2-CG 4.42Å; Y77-E81 HydrophobicContact CE2-CG 3.88Å; Y77-E81 VanDerWaalsContact CZ-CD 3.42Å; Y77-E81 PolarHBondContact O-N 3.13Å; Y77-E81 PolarHBondContact OH-OE1 2.62Å; Y77-F113 HydrophobicContact CD2-CE1 4.19Å; Y77-F113 AromaticContact CD2-CZ 3.68Å; Y77-F113 HydrophobicContact CD2-CZ 3.68Å; Y77-F113 AromaticContact CG-CZ 3.99Å; Y77-F113 HydrophobicContact CG-CZ 3.99Å; Y77-K120 HydrophobicContact CD2-CD 4.06Å; Y77-K120 HydrophobicContact CE2-CB 4.22Å; Y77-K120 HydrophobicContact CE2-CD 3.89Å; Y77-A142 HydrophobicContact CD1-CB 4.05Å; Y77-A142 HydrophobicContact CD2-CB 3.79Å; Y77-A142 HydrophobicContact CE1-CB 3.89Å; Y77-A142 HydrophobicContact CE2-CB 3.6Å; Y77-A142 HydrophobicContact CG-CB 3.99Å; Y77-M145 HydrophobicContact CD1-CE 4.41Å; Y77-M145 HydrophobicContact CG-CE 4.28Å
78K94.1Very high83.4Confident115 Ų11579 Ų7950%0.541%0.411SS..Hα-helixtrans-63.7-41.4176.4-69.7173.2-178.6176.50112.2E74 N75 E81 S82E74-K78 WeakPolarHBondContact O-CG 3.24Å; E74-K78 PolarHBondContact O-N 2.86Å; N75-K78 WeakPolarHBondContact O-CB 3.43Å; N75-K78 PolarHBondContact O-N 2.84Å; N75-K78 VanDerWaalsContact O-N 3.16Å; K78-E81 PolarHBondContact O-N 3.48Å; K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.18Å
79E92.2Very high80.9Confident105 Ų10584.3 Ų84.349%0.49143%0.434SS..Hα-helixtrans-57.9-51175.6-71.1165.1-171.400111N75 Y76 E81 S82 E83N75-E79 WeakPolarHBondContact O-CG 3.34Å; N75-E79 PolarHBondContact O-N 2.85Å; Y76-E79 PolarHBondContact O-N 3.31Å; E79-E81 VanDerWaalsContact C-N 3.35Å; E79-E81 PolarHBondContact O-N 2.8Å; E79-S82 PolarHBondContact O-N 3.14Å; E79-S82 PolarHBondContact O-OG 2.74Å; E79-E83 WeakPolarHBondContact O-CG 3.3Å; E79-E83 PolarHBondContact O-N 3.23Å
80I90Very high78.3Confident26 Ų2689 Ų8913%0.13346%0.459CS..Hα-helixtrans-67.2-35.2179.6-57.7160.9000112Y76 Y77 S82 E83 A84 L97Y76-I80 HydrophobicContact CD1-CD1 3.64Å; Y76-I80 HydrophobicContact CD2-CD1 4.35Å; Y76-I80 HydrophobicContact CE1-CD1 3.13Å; Y76-I80 HydrophobicContact CE1-CG1 4.18Å; Y76-I80 HydrophobicContact CE2-CD1 3.91Å; Y76-I80 HydrophobicContact CE2-CG1 4.09Å; Y76-I80 HydrophobicContact CG-CD1 4.23Å; Y76-I80 WeakPolarHBondContact O-CG1 3.47Å; Y76-I80 PolarHBondContact O-N 3.14Å; Y76-I80 VanDerWaalsContact O-N 3.14Å; Y77-I80 PolarHBondContact O-N 2.56Å; I80-S82 VanDerWaalsContact C-N 3.31Å; I80-E83 PolarHBondContact O-N 2.81Å; I80-A84 VanDerWaalsContact O-CB 3.32Å; I80-A84 WeakPolarHBondContact O-CB 3.31Å; I80-A84 PolarHBondContact O-N 3.49Å; I80-L97 HydrophobicContact CD1-CD1 4.26Å
81E85.9Confident75.9Confident96 Ų9695.4 Ų95.445%0.44949%0.493SS..Hα-helixtrans-62.6-39.4174.6-93.1-168.216000111.8Y77 K78 E79Y77-E81 HydrophobicContact CD2-CG 4.42Å; Y77-E81 HydrophobicContact CE2-CG 3.88Å; Y77-E81 VanDerWaalsContact CZ-CD 3.42Å; Y77-E81 PolarHBondContact O-N 3.13Å; Y77-E81 PolarHBondContact OH-OE1 2.62Å; K78-E81 PolarHBondContact O-N 3.48Å; E79-E81 VanDerWaalsContact C-N 3.35Å; E79-E81 PolarHBondContact O-N 2.8Å
82S82.9Confident73.6Confident76 Ų7694.9 Ų94.953%0.53150%0.504SS..Hα-helixtrans-66.5-41174.551.70000112.9K78 E79 I80 A84 V85K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.18Å; E79-S82 PolarHBondContact O-N 3.14Å; E79-S82 PolarHBondContact O-OG 2.74Å; I80-S82 VanDerWaalsContact C-N 3.31Å; S82-A84 PolarHBondContact O-N 2.86Å; S82-V85 PolarHBondContact O-N 2.9Å
83E77.4Confident71.1Confident129 Ų12997.7 Ų97.760%0.60353%0.527SS*.Hα-helixtrans-69.9-30.7178.4-69.9176.8179.700113.1E79 I80 V85 E86E79-E83 WeakPolarHBondContact O-CG 3.3Å; E79-E83 PolarHBondContact O-N 3.23Å; I80-E83 PolarHBondContact O-N 2.81Å; E83-V85 PolarHBondContact O-N 2.67Å; E83-E86 PolarHBondContact O-N 3.4Å
84A65Low69.2Low69 Ų69100.3 Ų100.357%0.5755%0.545SS*.Hα-helixtrans-66-20.2179.400000113.2I80 S82 E86I80-A84 VanDerWaalsContact O-CB 3.32Å; I80-A84 WeakPolarHBondContact O-CB 3.31Å; I80-A84 PolarHBondContact O-N 3.49Å; S82-A84 PolarHBondContact O-N 2.86Å; A84-E86 PolarHBondContact O-N 2.97Å
85V58.6Low68.5Low126 Ų126101.6 Ų101.676%0.76456%0.555SS**THydrogen-bonded Turntrans-70.7-22.1172.1-173.10000111.1S82 E83 G87S82-V85 PolarHBondContact O-N 2.9Å; E83-V85 PolarHBondContact O-N 2.67Å; V85-G87 PolarHBondContact O-N 3.06Å
86E54Low68.3Low171 Ų171102.3 Ų102.380%0.79956%0.558SS**THydrogen-bonded Turntrans-95.624.6-178.9-65.2-166.3158.900115E83 A84 K88E83-E86 PolarHBondContact O-N 3.4Å; A84-E86 PolarHBondContact O-N 2.97Å; E86-K88 PolarHBondContact O-N 3.31Å
87G44.6Very low68.2Low68 Ų68101.8 Ų101.870%0.70156%0.559SS**SBendtrans77.618.8151.500000118.3V85V85-G87 PolarHBondContact O-N 3.06Å
88K44Very low68.2Low194 Ų194104.2 Ų104.284%0.84357%0.57SS**  trans-111.487.7169.4-77.6-175.9-179.3173.30112.8E86 Q90E86-K88 PolarHBondContact O-N 3.31Å; K88-Q90 PolarHBondContact O-N 3.12Å
89K43.5Very low68.3Low211 Ų211101.8 Ų101.892%0.91757%0.568SS**  trans-80.194.4164.1-71.9-175.9-179177.10109.8
90Q41.3Very low68.5Low165 Ų16598.8 Ų98.877%0.77156%0.555SS**  trans-124.2114.5154.1-67.9-171.411.900107.4K88K88-Q90 PolarHBondContact O-N 3.12Å
91N48Very low68.8Low134 Ų13499 Ų9972%0.71756%0.557SS**  173.4141.1122.3-79.9-32.6000111.8
92G47.9Very low69.2Low55 Ų5594.7 Ų94.757%0.56754%0.538SS*.  trans-68-165-171.400000116.3S94G92-S94 PolarHBondContact O-N 3.47Å; G92-S94 VanDerWaalsContact O-N 3.12Å
93P44.5Very low69.5Low141 Ų14198.7 Ų98.792%0.91654%0.542SS*.THydrogen-bonded Turntrans-66.3114.6-159.226.5-32.1000111.6
94S57.8Low69.9Low56 Ų5693.9 Ų93.939%0.39252%0.519SS..THydrogen-bonded Turntrans6352.2177.7175.60000115.7G92 L96 K114 E115G92-S94 PolarHBondContact O-N 3.47Å; G92-S94 VanDerWaalsContact O-N 3.12Å; S94-L96 PolarHBondContact O-N 3.27Å; S94-K114 WeakPolarHBondContact OG-CE 3.42Å; S94-K114 PolarHBondContact OG-NZ 3.48Å; S94-E115 VanDerWaalsContact CA-O 3.29Å; S94-E115 WeakPolarHBondContact CA-O 3.44Å
95S80Confident70.7Confident37 Ų3797.7 Ų97.726%0.25953%0.526SS..  trans-61.3124.1169.2179.60000111.7L97 E115S95-L97 PolarHBondContact O-N 2.84Å; S95-E115 PolarHBondContact O-N 3.3Å
96L92.5Very high71.9Confident90 Ų9094.4 Ų94.447%0.47150%0.504SS..EExtended strand (participates in β ladder)trans-67.8117.5164.7177.662.8000107.9S94 S99 D112 K114S94-L96 PolarHBondContact O-N 3.27Å; L96-S99 WeakPolarHBondContact CD1-OG 3.41Å; L96-S99 WeakPolarHBondContact CD2-OG 3.26Å; L96-S99 WeakPolarHBondContact CG-OG 3.36Å; L96-D112 HydrophobicContact CD1-CB 3.69Å; L96-K114 HydrophobicContact CD1-CD 4.38Å; L96-K114 HydrophobicContact CD1-CG 3.84Å
97L93.4Very high73.6Confident43 Ų4389 Ų8923%0.22548%0.476CS..EExtended strand (participates in β ladder)trans-89.9-46.8-174.9-59.4177000111.7Y76 I80 S95 F113 E115 K120Y76-L97 HydrophobicContact CE1-CB 3.97Å; Y76-L97 PolarHBondContact OH-O 2.86Å; I80-L97 HydrophobicContact CD1-CD1 4.26Å; S95-L97 PolarHBondContact O-N 2.84Å; L97-F113 HydrophobicContact CB-CD1 4.1Å; L97-F113 WeakPolarHBondContact CB-O 3.49Å; L97-F113 HydrophobicContact CD1-CD1 3.91Å; L97-F113 HydrophobicContact CD1-CE1 4.01Å; L97-F113 PolarHBondContact N-O 3.3Å; L97-E115 HydrophobicContact CD1-CB 4.12Å; L97-E115 HydrophobicContact CG-CB 4.5Å; L97-K120 HydrophobicContact CD1-CD 4.19Å; L97-K120 HydrophobicContact CD1-CG 4.26Å
98K95.1Very high75.9Confident82 Ų8289.9 Ų89.936%0.35746%0.458SS..EExtended strand (participates in β ladder)trans-147.9147.9179.2-170.8172.4-175.2113.60109.9M73 Y76 F113M73-K98 HydrophobicContact CE-CD 4.41Å; M73-K98 HydrophobicContact CE-CG 4.18Å; M73-K98 HydrophobicContact SD-CB 4.27Å; M73-K98 HydrophobicContact SD-CD 3.82Å; M73-K98 HydrophobicContact SD-CG 4.04Å; Y76-K98 HydrophobicContact CD1-CB 3.8Å; Y76-K98 HydrophobicContact CD1-CD 3.57Å; Y76-K98 HydrophobicContact CD1-CG 4.35Å; Y76-K98 HydrophobicContact CD2-CD 4.07Å; Y76-K98 HydrophobicContact CE1-CB 3.52Å; Y76-K98 HydrophobicContact CE1-CD 4.04Å; Y76-K98 HydrophobicContact CE1-CG 4.4Å; Y76-K98 HydrophobicContact CG-CD 3.58Å; K98-F113 HydrophobicContact CB-CB 4.14Å; K98-F113 PolarHBondContact N-O 3.33Å; K98-F113 PolarHBondContact O-N 2.95Å
99S96Very high78.4Confident64 Ų6480.7 Ų80.745%0.44842%0.418SS..EExtended strand (participates in β ladder)trans-134.8148.9179.1-56.70000111.1L96 L111L96-S99 WeakPolarHBondContact CD1-OG 3.41Å; L96-S99 WeakPolarHBondContact CD2-OG 3.26Å; L96-S99 WeakPolarHBondContact CG-OG 3.36Å; S99-L111 CarbonylContact C-O 3.49Å; S99-L111 WeakPolarHBondContact CA-O 3.36Å
100D96.7Very high81Confident41 Ų4174.1 Ų74.122%0.21939%0.388CS..EExtended strand (participates in β ladder)trans-152.4168.2173.3-157.9-7000110.5R69 M73 L111R69-D100 VanDerWaalsContact CD-OD2 3.28Å; R69-D100 WeakPolarHBondContact CD-OD2 3.13Å; R69-D100 IonicContact CZ-OD1 2.6Å; R69-D100 IonicContact CZ-OD2 4Å; R69-D100 IonicContact NE-OD2 2.84Å; R69-D100 IonicContact NH1-OD1 3.35Å; R69-D100 PolarHBondContact NH1-OD1 3.49Å; R69-D100 IonicContact NH1-OD2 2.81Å; R69-D100 PolarHBondContact NH1-OD2 3.08Å; M73-D100 HydrophobicContact CE-CB 3.68Å; D100-L111 HydrophobicContact CB-CB 4.26Å; D100-L111 PolarHBondContact N-O 3.27Å; D100-L111 PolarHBondContact O-N 2.83Å
101V95.3Very high83.7Confident31 Ų3166.3 Ų66.319%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-142.5135.7-179.361.10000112.2Y103 R108 Y109 Y110V101-Y103 HydrophobicContact CB-CE2 4.33Å; V101-Y103 HydrophobicContact CG1-CD2 4.26Å; V101-Y103 HydrophobicContact CG1-CE2 3.4Å; V101-Y103 HydrophobicContact CG2-CD2 4.44Å; V101-Y103 HydrophobicContact CG2-CE1 4.11Å; V101-Y103 HydrophobicContact CG2-CE2 4.03Å; V101-R108 HydrophobicContact CG2-CB 4.46Å; V101-Y109 WeakPolarHBondContact CA-O 3.25Å; V101-Y110 HydrophobicContact CB-CD1 4.47Å; V101-Y110 HydrophobicContact CG2-CD1 4.22Å; V101-Y110 HydrophobicContact CG2-CE1 4.24Å
102I94.7Very high86Confident6 Ų660.8 Ų60.83%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-106.6124.3170.1-58.8167.5000108.5E65 F66 R69 R108 Y109 L111E65-I102 HydrophobicContact CB-CD1 4.28Å; E65-I102 HydrophobicContact CB-CG1 4.48Å; E65-I102 HydrophobicContact CB-CG2 4.05Å; F66-I102 VanDerWaalsContact CA-CD1 3.47Å; F66-I102 HydrophobicContact CB-CD1 3.74Å; F66-I102 HydrophobicContact CD2-CD1 4.23Å; F66-I102 HydrophobicContact CG-CD1 4.42Å; R69-I102 HydrophobicContact CG-CD1 4.15Å; R69-I102 HydrophobicContact CG-CG1 4.15Å; I102-R108 WeakPolarHBondContact O-CA 3.42Å; I102-Y109 HydrophobicContact CB-CD2 4.24Å; I102-Y109 HydrophobicContact CG2-CD2 4.26Å; I102-Y109 PolarHBondContact N-O 3.17Å; I102-Y109 PolarHBondContact O-N 2.86Å; I102-L111 HydrophobicContact CD1-CD1 3.89Å; I102-L111 HydrophobicContact CG1-CD1 4.2Å
103Y90.4Very high88.4Confident159 Ų15958.1 Ų58.162%0.62430%0.295SS*.EExtended strand (participates in β ladder)trans-96.9124.8174.1-63.2-81.8000109.8V101 R108V101-Y103 HydrophobicContact CB-CE2 4.33Å; V101-Y103 HydrophobicContact CG1-CD2 4.26Å; V101-Y103 HydrophobicContact CG1-CE2 3.4Å; V101-Y103 HydrophobicContact CG2-CD2 4.44Å; V101-Y103 HydrophobicContact CG2-CE1 4.11Å; V101-Y103 HydrophobicContact CG2-CE2 4.03Å; Y103-R108 HydrophobicContact CD1-CG 3.98Å; Y103-R108 HydrophobicContact CE1-CG 4.16Å
104Q84.8Confident90.8Very high28 Ų2852.9 Ų52.913%0.13126%0.258CS..EExtended strand (participates in β ladder)trans-137.5106.1174.5-161.6-145.5-39.800110.7S59 A62 N106 R107 Y109S59-Q104 PolarHBondContact OG-NE2 3.21Å; S59-Q104 PolarHBondContact OG-OE1 2.95Å; A62-Q104 HydrophobicContact CB-CB 4.28Å; A62-Q104 HydrophobicContact CB-CG 4.14Å; Q104-N106 PolarHBondContact O-N 2.6Å; Q104-R107 PolarHBondContact N-O 2.77Å; Q104-R107 WeakPolarHBondContact O-CA 3.42Å; Q104-R107 WeakPolarHBondContact O-CB 3.31Å; Q104-R107 PolarHBondContact O-N 3.4Å; Q104-Y109 HydrophobicContact CB-CE2 4Å
105E81.8Confident92.5Very high150 Ų15053.6 Ų53.670%0.70126%0.255SS*.THydrogen-bonded Turntrans52-104.6-178.9-61.9176.7-174.600113.2
106N83.4Confident93Very high56 Ų5654.8 Ų54.830%0.29926%0.258SS..THydrogen-bonded Turntrans-105.59.5176.969-18.8000112.9Q104 V128 S129Q104-N106 PolarHBondContact O-N 2.6Å; N106-V128 CarbonylContact O-C 3.56Å; N106-V128 WeakPolarHBondContact O-CA 3.2Å; N106-S129 WeakPolarHBondContact O-CB 3.39Å; N106-S129 PolarHBondContact O-N 3.33Å
107R89.7Confident92.9Very high58 Ų5856.8 Ų56.822%0.21928%0.28CS..EExtended strand (participates in β ladder)trans-111.3147.3178.2-61.6-175.2179.8-144.6-5110.9Q104 Y109 T127 V128Q104-R107 PolarHBondContact N-O 2.77Å; Q104-R107 WeakPolarHBondContact O-CA 3.42Å; Q104-R107 WeakPolarHBondContact O-CB 3.31Å; Q104-R107 PolarHBondContact O-N 3.4Å; R107-Y109 HydrophobicContact CB-CE2 4.01Å; R107-Y109 WeakPolarHBondContact CD-OH 3.38Å; R107-T127 VanDerWaalsContact CA-O 3.29Å; R107-T127 WeakPolarHBondContact CA-O 3.45Å; R107-V128 HydrophobicContact CG-CG2 4.47Å
108R93.2Very high92.7Very high86 Ų8662.1 Ų62.133%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-126.4136.2171.5-54.5178.8-170.7177.5-1108V101 I102 Y103 Y110 Q126 T127 S129V101-R108 HydrophobicContact CG2-CB 4.46Å; I102-R108 WeakPolarHBondContact O-CA 3.42Å; Y103-R108 HydrophobicContact CD1-CG 3.98Å; Y103-R108 HydrophobicContact CE1-CG 4.16Å; R108-Y110 HydrophobicContact CB-CE2 3.96Å; R108-Q126 WeakPolarHBondContact O-CA 3.49Å; R108-T127 PolarHBondContact N-O 3.16Å; R108-T127 PolarHBondContact O-N 3.38Å; R108-S129 PolarHBondContact NE-OG 3.48Å; R108-S129 PolarHBondContact NH2-OG 2.96Å
109Y96.9Very high92.6Very high1 Ų159.6 Ų59.60%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-115.5107.2174.1-52.8-91.9000108.1F57 M58 A62 V101 I102 Q104 R107 T125 Q126F57-Y109 WeakPolarHBondContact O-CE1 3.21Å; F57-Y109 PolarHBondContact O-OH 2.85Å; M58-Y109 HydrophobicContact CE-CD1 3.75Å; M58-Y109 HydrophobicContact CE-CE1 4.17Å; M58-Y109 HydrophobicContact CE-CG 4.3Å; M58-Y109 HydrophobicContact CG-CD1 4.09Å; M58-Y109 HydrophobicContact CG-CE1 3.56Å; A62-Y109 HydrophobicContact CB-CE2 4.06Å; V101-Y109 WeakPolarHBondContact CA-O 3.25Å; I102-Y109 HydrophobicContact CB-CD2 4.24Å; I102-Y109 HydrophobicContact CG2-CD2 4.26Å; I102-Y109 PolarHBondContact N-O 3.17Å; I102-Y109 PolarHBondContact O-N 2.86Å; Q104-Y109 HydrophobicContact CB-CE2 4Å; R107-Y109 HydrophobicContact CB-CE2 4.01Å; R107-Y109 WeakPolarHBondContact CD-OH 3.38Å; Y109-T125 CarbonylContact C-O 3.52Å; Y109-T125 VanDerWaalsContact CA-O 3.23Å; Y109-T125 WeakPolarHBondContact CA-O 3.39Å; Y109-Q126 HydrophobicContact CD1-CB 3.9Å; Y109-Q126 HydrophobicContact CD1-CG 3.99Å; Y109-Q126 HydrophobicContact CE1-CB 3.92Å; Y109-Q126 HydrophobicContact CE1-CG 3.57Å
110Y97Very high92.5Very high74 Ų7458.7 Ų58.729%0.2928%0.282SS..EExtended strand (participates in β ladder)trans-84.7129.3174.6-59.8-89.3000108.9V101 R108 V124 T125 T127V101-Y110 HydrophobicContact CB-CD1 4.47Å; V101-Y110 HydrophobicContact CG2-CD1 4.22Å; V101-Y110 HydrophobicContact CG2-CE1 4.24Å; R108-Y110 HydrophobicContact CB-CE2 3.96Å; Y110-V124 CarbonylContact O-C 3.58Å; Y110-V124 WeakPolarHBondContact O-CA 3.32Å; Y110-T125 PolarHBondContact N-O 2.8Å; Y110-T125 PolarHBondContact O-N 3.02Å; Y110-T127 HydrophobicContact CD2-CG2 4.2Å; Y110-T127 HydrophobicContact CE2-CG2 3.92Å
111L98.2Very high92.5Very high0 Ų058.2 Ų58.20%028%0.278CS..EExtended strand (participates in β ladder)trans-11493.1-177.9-52-176.1000107.8F66 R69 M73 S99 D100 I102 L122 V124F66-L111 HydrophobicContact CD2-CD1 4.04Å; F66-L111 HydrophobicContact CD2-CD2 3.96Å; F66-L111 HydrophobicContact CE2-CD1 4.34Å; F66-L111 HydrophobicContact CE2-CD2 3.8Å; R69-L111 HydrophobicContact CB-CD1 3.54Å; R69-L111 HydrophobicContact CG-CD1 3.95Å; M73-L111 HydrophobicContact CE-CB 4.25Å; S99-L111 CarbonylContact C-O 3.49Å; S99-L111 WeakPolarHBondContact CA-O 3.36Å; D100-L111 HydrophobicContact CB-CB 4.26Å; D100-L111 PolarHBondContact N-O 3.27Å; D100-L111 PolarHBondContact O-N 2.83Å; I102-L111 HydrophobicContact CD1-CD1 3.89Å; I102-L111 HydrophobicContact CG1-CD1 4.2Å; L111-L122 HydrophobicContact CB-CD1 4.21Å; L111-V124 HydrophobicContact CD2-CB 4.27Å; L111-V124 HydrophobicContact CD2-CG1 3.85Å; L111-V124 HydrophobicContact CD2-CG2 3.88Å
112D97.4Very high92.6Very high18 Ų1856.7 Ų56.710%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-102.3107.7-177.2-52.8-35.8000108.9L96 K114 R123L96-D112 HydrophobicContact CD1-CB 3.69Å; D112-K114 HydrophobicContact CB-CD 4.17Å; D112-K114 HydrophobicContact CB-CG 4.04Å; D112-R123 HydrophobicContact CB-CB 4.31Å; D112-R123 PolarHBondContact N-O 3.27Å; D112-R123 PolarHBondContact O-N 2.86Å; D112-R123 IonicContact OD2-CZ 2.75Å; D112-R123 IonicContact OD2-NE 3.96Å; D112-R123 PolarHBondContact OD2-NE 3.46Å; D112-R123 IonicContact OD2-NH2 3.62Å; D112-R123 PolarHBondContact OD2-NH2 3.42Å
113F97.6Very high92.7Very high0 Ų059.3 Ų59.30%028%0.278CS..EExtended strand (participates in β ladder)trans-80.8119.2170.4-162-109.8000109.1M73 Y76 Y77 L97 K98 K120 L122 A142 M145M73-F113 HydrophobicContact SD-CB 3.95Å; Y76-F113 HydrophobicContact CD1-CD1 4.02Å; Y76-F113 HydrophobicContact CD1-CE1 4.43Å; Y76-F113 HydrophobicContact CE1-CD1 4.08Å; Y77-F113 HydrophobicContact CD2-CE1 4.19Å; Y77-F113 AromaticContact CD2-CZ 3.68Å; Y77-F113 HydrophobicContact CD2-CZ 3.68Å; Y77-F113 AromaticContact CG-CZ 3.99Å; Y77-F113 HydrophobicContact CG-CZ 3.99Å; L97-F113 HydrophobicContact CB-CD1 4.1Å; L97-F113 WeakPolarHBondContact CB-O 3.49Å; L97-F113 HydrophobicContact CD1-CD1 3.91Å; L97-F113 HydrophobicContact CD1-CE1 4.01Å; L97-F113 PolarHBondContact N-O 3.3Å; K98-F113 HydrophobicContact CB-CB 4.14Å; K98-F113 PolarHBondContact N-O 3.33Å; K98-F113 PolarHBondContact O-N 2.95Å; F113-K120 HydrophobicContact CE1-CB 4.3Å; F113-K120 HydrophobicContact CE1-CD 4.41Å; F113-K120 HydrophobicContact CZ-CB 4Å; F113-L122 HydrophobicContact CB-CD1 4.18Å; F113-L122 HydrophobicContact CD2-CB 4.06Å; F113-L122 HydrophobicContact CD2-CD1 4.2Å; F113-A142 HydrophobicContact CE2-CB 3.87Å; F113-A142 HydrophobicContact CZ-CB 3.76Å; F113-M145 HydrophobicContact CD2-CE 4.33Å; F113-M145 HydrophobicContact CD2-SD 4.11Å; F113-M145 HydrophobicContact CE2-CE 3.5Å; F113-M145 HydrophobicContact CE2-SD 3.74Å; F113-M145 HydrophobicContact CZ-CE 4.07Å
114K95.8Very high93.1Very high31 Ų3151.7 Ų51.714%0.13525%0.249CC..EExtended strand (participates in β ladder)trans-134160-168.2-64.4-168.663.6168.60111.2S94 L96 D112 K120 F121S94-K114 WeakPolarHBondContact OG-CE 3.42Å; S94-K114 PolarHBondContact OG-NZ 3.48Å; L96-K114 HydrophobicContact CD1-CD 4.38Å; L96-K114 HydrophobicContact CD1-CG 3.84Å; D112-K114 HydrophobicContact CB-CD 4.17Å; D112-K114 HydrophobicContact CB-CG 4.04Å; K114-K120 CarbonylContact O-C 3.47Å; K114-K120 WeakPolarHBondContact O-CA 3.38Å; K114-F121 HydrophobicContact CB-CD1 4.36Å; K114-F121 HydrophobicContact CB-CE1 3.78Å; K114-F121 HydrophobicContact CB-CE2 4.32Å; K114-F121 HydrophobicContact CB-CZ 3.77Å; K114-F121 HydrophobicContact CD-CZ 4.33Å; K114-F121 PolarHBondContact N-O 3.17Å; K114-F121 PolarHBondContact O-N 2.82Å
115E93.4Very high93.7Very high71 Ų7150.4 Ų50.433%0.33224%0.242SC..EExtended strand (participates in β ladder)trans-117.1146.3170.2-175.6157.5-154.900110.8S94 S95 L97 K120S94-E115 VanDerWaalsContact CA-O 3.29Å; S94-E115 WeakPolarHBondContact CA-O 3.44Å; S95-E115 PolarHBondContact O-N 3.3Å; L97-E115 HydrophobicContact CD1-CB 4.12Å; L97-E115 HydrophobicContact CG-CB 4.5Å; E115-K120 HydrophobicContact CB-CG 4.08Å; E115-K120 HydrophobicContact CG-CG 4.02Å; E115-K120 IonicContact OE1-NZ 2.71Å; E115-K120 PolarHBondContact OE1-NZ 3.02Å; E115-K120 WeakPolarHBondContact OE2-CE 3.34Å; E115-K120 IonicContact OE2-NZ 2.84Å; E115-K120 PolarHBondContact OE2-NZ 2.87Å
116N90.4Very high94.3Very high61 Ų6143.7 Ų43.733%0.32621%0.211SC..EExtended strand (participates in β ladder)trans-144.2-175.3167.366.325.8000110R118 G119 F121N116-R118 PolarHBondContact O-N 2.94Å; N116-R118 WeakPolarHBondContact OD1-CA 3.38Å; N116-R118 WeakPolarHBondContact OD1-CB 3.34Å; N116-R118 PolarHBondContact OD1-N 3.27Å; N116-G119 PolarHBondContact N-O 2.83Å; N116-G119 PolarHBondContact O-N 3.4Å; N116-G119 PolarHBondContact OD1-N 2.87Å; N116-G119 PolarHBondContact OD1-O 3.05Å; N116-F121 HydrophobicContact CB-CE1 4.11Å; N116-F121 WeakPolarHBondContact ND2-CE1 3.4Å
117S90.2Very high94.7Very high132 Ų13242.5 Ų42.592%0.92321%0.206SC*.THydrogen-bonded Turntrans-60.7-16.5179.756.10000114.9
118R88.6Confident94.6Very high155 Ų15541.8 Ų41.859%0.58521%0.208SC*.THydrogen-bonded Turntrans-94-5.4176.3-60.7176.557.8172.51113.1S26 N116S26-R118 PolarHBondContact OG-NH2 3.15Å; N116-R118 PolarHBondContact O-N 2.94Å; N116-R118 WeakPolarHBondContact OD1-CA 3.38Å; N116-R118 WeakPolarHBondContact OD1-CB 3.34Å; N116-R118 PolarHBondContact OD1-N 3.27Å
119G92.2Very high93.5Very high29 Ų2940.1 Ų40.130%0.29921%0.209SC..EExtended strand (participates in β ladder)trans119-167.1-178.500000113.9N116N116-G119 PolarHBondContact N-O 2.83Å; N116-G119 PolarHBondContact O-N 3.4Å; N116-G119 PolarHBondContact OD1-N 2.87Å; N116-G119 PolarHBondContact OD1-O 3.05Å
120K95.1Very high92.1Very high46 Ų4649 Ų4920%0.224%0.243CC..EExtended strand (participates in β ladder)trans-89.6140.9-177.2-66.2174174.9660111.2Y77 L97 F113 K114 E115 A142Y77-K120 HydrophobicContact CD2-CD 4.06Å; Y77-K120 HydrophobicContact CE2-CB 4.22Å; Y77-K120 HydrophobicContact CE2-CD 3.89Å; L97-K120 HydrophobicContact CD1-CD 4.19Å; L97-K120 HydrophobicContact CD1-CG 4.26Å; F113-K120 HydrophobicContact CE1-CB 4.3Å; F113-K120 HydrophobicContact CE1-CD 4.41Å; F113-K120 HydrophobicContact CZ-CB 4Å; K114-K120 CarbonylContact O-C 3.47Å; K114-K120 WeakPolarHBondContact O-CA 3.38Å; E115-K120 HydrophobicContact CB-CG 4.08Å; E115-K120 HydrophobicContact CG-CG 4.02Å; E115-K120 IonicContact OE1-NZ 2.71Å; E115-K120 PolarHBondContact OE1-NZ 3.02Å; E115-K120 WeakPolarHBondContact OE2-CE 3.34Å; E115-K120 IonicContact OE2-NZ 2.84Å; E115-K120 PolarHBondContact OE2-NZ 2.87Å; K120-A142 HydrophobicContact CB-CB 4Å; K120-A142 WeakPolarHBondContact O-CB 3.05Å; K120-A142 PolarHBondContact O-N 3.42Å
121F96.3Very high90.4Very high30 Ų3052.2 Ų52.213%0.13226%0.264CS..EExtended strand (participates in β ladder)trans-153.6149-177.269.2-78000112K114 N116 R123 A139 I140K114-F121 HydrophobicContact CB-CD1 4.36Å; K114-F121 HydrophobicContact CB-CE1 3.78Å; K114-F121 HydrophobicContact CB-CE2 4.32Å; K114-F121 HydrophobicContact CB-CZ 3.77Å; K114-F121 HydrophobicContact CD-CZ 4.33Å; K114-F121 PolarHBondContact N-O 3.17Å; K114-F121 PolarHBondContact O-N 2.82Å; N116-F121 HydrophobicContact CB-CE1 4.11Å; N116-F121 WeakPolarHBondContact ND2-CE1 3.4Å; F121-R123 HydrophobicContact CD2-CB 4.38Å; F121-R123 HydrophobicContact CE2-CB 4.02Å; F121-A139 HydrophobicContact CD2-CB 3.83Å; F121-A139 HydrophobicContact CE2-CB 4.18Å; F121-I140 CarbonylContact C-O 3.47Å; F121-I140 VanDerWaalsContact CA-O 3.26Å; F121-I140 WeakPolarHBondContact CA-O 3.4Å; F121-I140 WeakPolarHBondContact CB-O 3.28Å
122L97.9Very high88.9Confident0 Ų058.8 Ų58.80%031%0.307CS..EExtended strand (participates in β ladder)trans-92.2117.5170.2-174.765000110F66 L70 M73 L111 F113 V124 A139 I140 M145F66-L122 HydrophobicContact CE2-CD2 4.18Å; L70-L122 HydrophobicContact CD2-CD2 3.57Å; M73-L122 HydrophobicContact CG-CD1 4.16Å; M73-L122 HydrophobicContact CG-CD2 4.5Å; M73-L122 HydrophobicContact SD-CD1 4.35Å; L111-L122 HydrophobicContact CB-CD1 4.21Å; F113-L122 HydrophobicContact CB-CD1 4.18Å; F113-L122 HydrophobicContact CD2-CB 4.06Å; F113-L122 HydrophobicContact CD2-CD1 4.2Å; L122-V124 HydrophobicContact CD2-CG2 4.3Å; L122-V124 HydrophobicContact CG-CG2 4.26Å; L122-A139 WeakPolarHBondContact O-CA 3.12Å; L122-I140 PolarHBondContact N-O 3.02Å; L122-I140 PolarHBondContact O-N 3.21Å; L122-M145 HydrophobicContact CB-CG 4.47Å; L122-M145 HydrophobicContact CB-SD 3.86Å; L122-M145 HydrophobicContact CD2-SD 4.12Å
123R97.3Very high87.5Confident60 Ų6059.4 Ų59.423%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-91.8119.3170.9-174.6176.167.5177.12.5109.6D112 F121 I138D112-R123 HydrophobicContact CB-CB 4.31Å; D112-R123 PolarHBondContact N-O 3.27Å; D112-R123 PolarHBondContact O-N 2.86Å; D112-R123 IonicContact OD2-CZ 2.75Å; D112-R123 IonicContact OD2-NE 3.96Å; D112-R123 PolarHBondContact OD2-NE 3.46Å; D112-R123 IonicContact OD2-NH2 3.62Å; D112-R123 PolarHBondContact OD2-NH2 3.42Å; F121-R123 HydrophobicContact CD2-CB 4.38Å; F121-R123 HydrophobicContact CE2-CB 4.02Å; R123-I138 WeakPolarHBondContact CA-O 3.28Å
124V98.1Very high86.4Confident0 Ų065 Ų650%035%0.354CS..EExtended strand (participates in β ladder)trans-103.8110.7174.8-177.80000108.2M58 F66 Y110 L111 L122 Q137 I138 I140M58-V124 HydrophobicContact CE-CG1 3.63Å; F66-V124 HydrophobicContact CE2-CG2 3.93Å; F66-V124 HydrophobicContact CZ-CG2 3.76Å; Y110-V124 CarbonylContact O-C 3.58Å; Y110-V124 WeakPolarHBondContact O-CA 3.32Å; L111-V124 HydrophobicContact CD2-CB 4.27Å; L111-V124 HydrophobicContact CD2-CG1 3.85Å; L111-V124 HydrophobicContact CD2-CG2 3.88Å; L122-V124 HydrophobicContact CD2-CG2 4.3Å; L122-V124 HydrophobicContact CG-CG2 4.26Å; V124-Q137 CarbonylContact O-C 3.49Å; V124-Q137 WeakPolarHBondContact O-CA 3.33Å; V124-Q137 WeakPolarHBondContact O-CB 3.39Å; V124-I138 HydrophobicContact CB-CD1 4.46Å; V124-I138 HydrophobicContact CB-CG1 3.83Å; V124-I138 HydrophobicContact CG2-CG1 4.37Å; V124-I138 PolarHBondContact N-O 3.03Å; V124-I138 PolarHBondContact O-N 3.43Å; V124-I140 HydrophobicContact CG2-CD1 3.74Å
125T96.8Very high86.1Confident0 Ų070.4 Ų70.40%037%0.373CS..EExtended strand (participates in β ladder)trans-105.5125.6175.8-62.10000110.2Y109 Y110 T127 R135 S136Y109-T125 CarbonylContact C-O 3.52Å; Y109-T125 VanDerWaalsContact CA-O 3.23Å; Y109-T125 WeakPolarHBondContact CA-O 3.39Å; Y110-T125 PolarHBondContact N-O 2.8Å; Y110-T125 PolarHBondContact O-N 3.02Å; T125-T127 HydrophobicContact CG2-CG2 3.91Å; T125-R135 HydrophobicContact CG2-CG 3.65Å; T125-R135 PolarHBondContact OG1-NH2 2.93Å; T125-R135 VanDerWaalsContact OG1-NH2 3.14Å; T125-S136 CarbonylContact C-O 3.56Å; T125-S136 WeakPolarHBondContact CA-O 3.29Å
126Q95.2Very high86.1Confident9 Ų968.4 Ų68.44%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-95.9129.2167.7-178.9-167.3-45.400111V56 F57 R108 Y109 S136V56-Q126 HydrophobicContact CB-CB 4.39Å; V56-Q126 HydrophobicContact CG1-CB 4.02Å; F57-Q126 PolarHBondContact O-OE1 3.16Å; F57-Q126 VanDerWaalsContact O-OE1 3.13Å; R108-Q126 WeakPolarHBondContact O-CA 3.49Å; Y109-Q126 HydrophobicContact CD1-CB 3.9Å; Y109-Q126 HydrophobicContact CD1-CG 3.99Å; Y109-Q126 HydrophobicContact CE1-CB 3.92Å; Y109-Q126 HydrophobicContact CE1-CG 3.57Å; Q126-S136 PolarHBondContact N-O 3.14Å; Q126-S136 PolarHBondContact O-N 3.26Å
127T92.3Very high86.4Confident32 Ų3269.3 Ų69.320%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-126.7159.5169.570.80000111.6R107 R108 Y110 T125 R135R107-T127 VanDerWaalsContact CA-O 3.29Å; R107-T127 WeakPolarHBondContact CA-O 3.45Å; R108-T127 PolarHBondContact N-O 3.16Å; R108-T127 PolarHBondContact O-N 3.38Å; Y110-T127 HydrophobicContact CD2-CG2 4.2Å; Y110-T127 HydrophobicContact CE2-CG2 3.92Å; T125-T127 HydrophobicContact CG2-CG2 3.91Å; T127-R135 HydrophobicContact CG2-CG 4.33Å
128V86.4Confident86.7Confident42 Ų4263 Ų6326%0.25533%0.326SS..EExtended strand (participates in β ladder)trans-112.7123174.7-174.80000108.4N106 R107 R130N106-V128 CarbonylContact O-C 3.56Å; N106-V128 WeakPolarHBondContact O-CA 3.2Å; R107-V128 HydrophobicContact CG-CG2 4.47Å; V128-R130 VanDerWaalsContact C-N 3.28Å; V128-R130 PolarHBondContact O-N 3.06Å; V128-R130 VanDerWaalsContact O-N 3.09Å
129S71.2Confident87Confident51 Ų5156.6 Ų56.636%0.35731%0.305SS..THydrogen-bonded Turntrans-69.4-6.8-160.3-172.40000116.6N106 R108N106-S129 WeakPolarHBondContact O-CB 3.39Å; N106-S129 PolarHBondContact O-N 3.33Å; R108-S129 PolarHBondContact NE-OG 3.48Å; R108-S129 PolarHBondContact NH2-OG 2.96Å
130R66.1Low87.3Confident189 Ų18955.2 Ų55.271%0.71329%0.291SS*.THydrogen-bonded Turntrans-121.2-7.2-167.9-63.6-164.9-167.1167.96.5116.2V128V128-R130 VanDerWaalsContact C-N 3.28Å; V128-R130 PolarHBondContact O-N 3.06Å; V128-R130 VanDerWaalsContact O-N 3.09Å
131L61.5Low87.3Confident140 Ų14053.4 Ų53.473%0.73328%0.284SS*.SBendtrans-148.3160.8-178.6-78.4162.7000109G133L131-G133 PolarHBondContact O-N 3.43Å
132P66.9Low87.4Confident138 Ų13852.2 Ų52.290%0.89628%0.28SS*.SBendtrans-63.277.3160.8-0.114.7000107.6
133G68.2Low87.2Confident31 Ų3158 Ų5832%0.3231%0.307SS..  trans-89.9160.8-178.500000110.1L131 R135L131-G133 PolarHBondContact O-N 3.43Å; G133-R135 PolarHBondContact O-N 3.36Å
134P75.4Confident87.2Confident117 Ų11755.1 Ų55.176%0.7630%0.296SS*.  trans-55.7113.6176.320.2-29.8000110.2
135R87.7Confident87.1Confident145 Ų14555.1 Ų55.155%0.54730%0.296SS..  trans-76.9130.4169.6-177.9178175.6160.211107.7T125 T127 G133T125-R135 HydrophobicContact CG2-CG 3.65Å; T125-R135 PolarHBondContact OG1-NH2 2.93Å; T125-R135 VanDerWaalsContact OG1-NH2 3.14Å; T127-R135 HydrophobicContact CG2-CG 4.33Å; G133-R135 PolarHBondContact O-N 3.36Å
136S93.9Very high87.2Confident29 Ų2959.4 Ų59.420%0.20332%0.316CS..EExtended strand (participates in β ladder)trans-127.2147.2174.655.90000109.6R55 T125 Q126R55-S136 WeakPolarHBondContact O-CB 3.21Å; R55-S136 PolarHBondContact O-OG 3.36Å; T125-S136 CarbonylContact C-O 3.56Å; T125-S136 WeakPolarHBondContact CA-O 3.29Å; Q126-S136 PolarHBondContact N-O 3.14Å; Q126-S136 PolarHBondContact O-N 3.26Å
137Q96.1Very high87.3Confident80 Ų8064.4 Ų64.437%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-148.9150.7-177.869.3-177.128.800112.1S54 V124S54-Q137 WeakPolarHBondContact CB-O 3.09Å; S54-Q137 PolarHBondContact OG-O 2.88Å; V124-Q137 CarbonylContact O-C 3.49Å; V124-Q137 WeakPolarHBondContact O-CA 3.33Å; V124-Q137 WeakPolarHBondContact O-CB 3.39Å
138I97Very high87.5Confident1 Ų163 Ų631%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-125.6157.3167.160.5171.3000109.2I44 E46 V56 R123 V124 I140I44-I138 HydrophobicContact CB-CD1 4.18Å; I44-I138 HydrophobicContact CG2-CD1 3.57Å; E46-I138 HydrophobicContact CB-CB 4.12Å; E46-I138 HydrophobicContact CB-CG2 3.79Å; E46-I138 VanDerWaalsContact OE2-CA 3.23Å; E46-I138 WeakPolarHBondContact OE2-CA 3.47Å; V56-I138 HydrophobicContact CG1-CG1 4.42Å; V56-I138 HydrophobicContact CG1-CG2 4.45Å; V56-I138 HydrophobicContact CG2-CD1 3.8Å; V56-I138 HydrophobicContact CG2-CG1 4.12Å; R123-I138 WeakPolarHBondContact CA-O 3.28Å; V124-I138 HydrophobicContact CB-CD1 4.46Å; V124-I138 HydrophobicContact CB-CG1 3.83Å; V124-I138 HydrophobicContact CG2-CG1 4.37Å; V124-I138 PolarHBondContact N-O 3.03Å; V124-I138 PolarHBondContact O-N 3.43Å; I138-I140 HydrophobicContact CD1-CD1 4.05Å; I138-I140 HydrophobicContact CD1-CG1 4.23Å; I138-I140 HydrophobicContact CG1-CD1 4.47Å
139A96.3Very high88Confident19 Ų1963.4 Ų63.416%0.15733%0.326CS..EExtended strand (participates in β ladder)trans-130.5103.9-179.200000110.2K27 E46 F121 L122K27-A139 PolarHBondContact NZ-O 2.65Å; E46-A139 PolarHBondContact OE2-N 2.87Å; F121-A139 HydrophobicContact CD2-CB 3.83Å; F121-A139 HydrophobicContact CE2-CB 4.18Å; L122-A139 WeakPolarHBondContact O-CA 3.12Å
140I97Very high89.3Confident0 Ų064.7 Ų64.70%033%0.326CS..EExtended strand (participates in β ladder)trans-93.7118-174.7-56.4145.5000108.3F29 F66 F121 L122 V124 I138 M145 L148F29-I140 HydrophobicContact CE1-CG1 3.87Å; F29-I140 HydrophobicContact CZ-CB 4.46Å; F29-I140 HydrophobicContact CZ-CG1 4.2Å; F66-I140 HydrophobicContact CZ-CD1 4.11Å; F121-I140 CarbonylContact C-O 3.47Å; F121-I140 VanDerWaalsContact CA-O 3.26Å; F121-I140 WeakPolarHBondContact CA-O 3.4Å; F121-I140 WeakPolarHBondContact CB-O 3.28Å; L122-I140 PolarHBondContact N-O 3.02Å; L122-I140 PolarHBondContact O-N 3.21Å; V124-I140 HydrophobicContact CG2-CD1 3.74Å; I138-I140 HydrophobicContact CD1-CD1 4.05Å; I138-I140 HydrophobicContact CD1-CG1 4.23Å; I138-I140 HydrophobicContact CG1-CD1 4.47Å; I140-M145 HydrophobicContact CG2-CG 4.27Å; I140-L148 HydrophobicContact CD1-CD2 3.45Å; I140-L148 VanDerWaalsContact CD1-CD2 3.45Å; I140-L148 HydrophobicContact CG1-CD2 3.97Å; I140-L148 HydrophobicContact CG2-CD2 4.21Å
141P96.7Very high90.8Very high8 Ų856 Ų565%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-54.4142.9171.9-25.335.5000111.3I24 Q25 E143 G144I24-P141 HydrophobicContact CG2-CB 3.84Å; I24-P141 HydrophobicContact CG2-CG 3.74Å; Q25-P141 HydrophobicContact CG-CB 4.45Å; P141-E143 VanDerWaalsContact C-N 3.3Å; P141-E143 PolarHBondContact O-N 3.34Å; P141-G144 WeakPolarHBondContact O-CA 3.45Å; P141-G144 PolarHBondContact O-N 2.66Å
142A96.9Very high92.5Very high5 Ų549.3 Ų49.34%0.04126%0.26CS..G310 helixtrans-56.4-43.6-174.400000112.7Y77 F113 K120 G144 M145Y77-A142 HydrophobicContact CD1-CB 4.05Å; Y77-A142 HydrophobicContact CD2-CB 3.79Å; Y77-A142 HydrophobicContact CE1-CB 3.89Å; Y77-A142 HydrophobicContact CE2-CB 3.6Å; Y77-A142 HydrophobicContact CG-CB 3.99Å; F113-A142 HydrophobicContact CE2-CB 3.87Å; F113-A142 HydrophobicContact CZ-CB 3.76Å; K120-A142 HydrophobicContact CB-CB 4Å; K120-A142 WeakPolarHBondContact O-CB 3.05Å; K120-A142 PolarHBondContact O-N 3.42Å; A142-G144 PolarHBondContact O-N 3.23Å; A142-M145 HydrophobicContact CB-CE 4.11Å; A142-M145 WeakPolarHBondContact O-CB 3.26Å; A142-M145 WeakPolarHBondContact O-CG 3.33Å; A142-M145 PolarHBondContact O-N 3.5Å
143E94.2Very high93.9Very high122 Ų12245.6 Ų45.657%0.5723%0.232SC*.G310 helixtrans-56.2-22.6174.5-61.9169.3-179.900113.9Q25 P141Q25-E143 PolarHBondContact NE2-OE2 3.04Å; P141-E143 VanDerWaalsContact C-N 3.3Å; P141-E143 PolarHBondContact O-N 3.34Å
144G96.5Very high95.3Very high0 Ų048.9 Ų48.90%024%0.239CC..G310 helixtrans-94.7-6.1-179.200000114.9P141 A142 Q146 K147 L148P141-G144 WeakPolarHBondContact O-CA 3.45Å; P141-G144 PolarHBondContact O-N 2.66Å; A142-G144 PolarHBondContact O-N 3.23Å; G144-Q146 VanDerWaalsContact C-N 3.35Å; G144-Q146 PolarHBondContact O-N 3.38Å; G144-K147 PolarHBondContact O-N 2.9Å; G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 PolarHBondContact O-N 2.93Å
145M97.9Very high96.3Very high0 Ų043.7 Ų43.70%021%0.205CC..Hα-helixtrans-61.4-44.4-178.3-68.3-171.7-61.200111.3L70 M73 E74 Y77 F113 L122 I140 A142 L148 R149L70-M145 HydrophobicContact CD2-CB 4.29Å; L70-M145 HydrophobicContact CD2-CG 4.33Å; M73-M145 HydrophobicContact CB-CE 4.42Å; M73-M145 HydrophobicContact CB-SD 3.98Å; E74-M145 HydrophobicContact CG-CB 3.76Å; E74-M145 HydrophobicContact CG-CE 4.3Å; E74-M145 VanDerWaalsContact OE1-C 3.27Å; Y77-M145 HydrophobicContact CD1-CE 4.41Å; Y77-M145 HydrophobicContact CG-CE 4.28Å; F113-M145 HydrophobicContact CD2-CE 4.33Å; F113-M145 HydrophobicContact CD2-SD 4.11Å; F113-M145 HydrophobicContact CE2-CE 3.5Å; F113-M145 HydrophobicContact CE2-SD 3.74Å; F113-M145 HydrophobicContact CZ-CE 4.07Å; L122-M145 HydrophobicContact CB-CG 4.47Å; L122-M145 HydrophobicContact CB-SD 3.86Å; L122-M145 HydrophobicContact CD2-SD 4.12Å; I140-M145 HydrophobicContact CG2-CG 4.27Å; A142-M145 HydrophobicContact CB-CE 4.11Å; A142-M145 WeakPolarHBondContact O-CB 3.26Å; A142-M145 WeakPolarHBondContact O-CG 3.33Å; A142-M145 PolarHBondContact O-N 3.5Å; M145-L148 PolarHBondContact O-N 2.95Å; M145-R149 WeakPolarHBondContact O-CB 3.22Å; M145-R149 PolarHBondContact O-N 2.97Å
146Q97.1Very high96.6Very high89 Ų8937.2 Ų37.242%0.41618%0.181SC..Hα-helixtrans-59.9-49.6177.6177.5174.6-700112.2E74 G144 L148 R149 E150E74-Q146 VanDerWaalsContact OE1-CA 3.31Å; E74-Q146 WeakPolarHBondContact OE1-CA 3.43Å; E74-Q146 PolarHBondContact OE1-N 3.42Å; G144-Q146 VanDerWaalsContact C-N 3.35Å; G144-Q146 PolarHBondContact O-N 3.38Å; Q146-L148 VanDerWaalsContact C-N 3.28Å; Q146-L148 PolarHBondContact O-N 3.35Å; Q146-R149 WeakPolarHBondContact O-CB 3.44Å; Q146-R149 PolarHBondContact O-N 2.89Å; Q146-R149 VanDerWaalsContact O-N 3.13Å; Q146-E150 VanDerWaalsContact CG-OE1 3.24Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.38Å; Q146-E150 PolarHBondContact NE2-OE1 2.96Å; Q146-E150 WeakPolarHBondContact O-CG 3.33Å; Q146-E150 PolarHBondContact O-N 2.71Å
147K97.3Very high96.6Very high115 Ų11539.6 Ų39.650%0.519%0.192SC..Hα-helixtrans-60.4-39.9178.6-67.6-177.6179.6178.20111.9G144 A151G144-K147 PolarHBondContact O-N 2.9Å; K147-A151 WeakPolarHBondContact O-CB 3.36Å; K147-A151 PolarHBondContact O-N 3.25Å; K147-A151 VanDerWaalsContact O-N 3.11Å
148L97.7Very high96.5Very high1 Ų140.2 Ų40.21%0.00520%0.201CC..Hα-helixtrans-64.7-45.7175.1177.861.6000110.9L22 I31 F66 L70 I140 G144 M145 Q146 E150 A151 L152L22-L148 HydrophobicContact CD1-CB 4.3Å; L22-L148 HydrophobicContact CD1-CD1 4.2Å; I31-L148 HydrophobicContact CD1-CD1 3.49Å; I31-L148 VanDerWaalsContact CD1-CD1 3.49Å; I31-L148 HydrophobicContact CG1-CD1 4.17Å; F66-L148 HydrophobicContact CE1-CD2 4.16Å; F66-L148 HydrophobicContact CZ-CD2 4.27Å; L70-L148 HydrophobicContact CD1-CD2 4.28Å; L70-L148 HydrophobicContact CD1-CG 4.25Å; I140-L148 HydrophobicContact CD1-CD2 3.45Å; I140-L148 VanDerWaalsContact CD1-CD2 3.45Å; I140-L148 HydrophobicContact CG1-CD2 3.97Å; I140-L148 HydrophobicContact CG2-CD2 4.21Å; G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 PolarHBondContact O-N 2.93Å; M145-L148 PolarHBondContact O-N 2.95Å; Q146-L148 VanDerWaalsContact C-N 3.28Å; Q146-L148 PolarHBondContact O-N 3.35Å; L148-E150 PolarHBondContact O-N 3.19Å; L148-A151 PolarHBondContact O-N 2.85Å; L148-L152 HydrophobicContact CD1-CD1 4.24Å; L148-L152 HydrophobicContact CD1-CG 4.13Å; L148-L152 HydrophobicContact CG-CD1 4.09Å; L148-L152 HydrophobicContact CG-CG 4.39Å; L148-L152 VanDerWaalsContact O-CG 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.41Å
149R97.6Very high96.3Very high51 Ų5143.7 Ų43.719%0.19222%0.215CC..Hα-helixtrans-58.2-47.7178.5-178.8-177.757.772.31.3111.7K67 L70 E74 M145 Q146 L152 D153K67-R149 HydrophobicContact CG-CG 3.91Å; L70-R149 HydrophobicContact CB-CB 4.3Å; L70-R149 HydrophobicContact CB-CG 4.45Å; L70-R149 HydrophobicContact CD1-CB 4.11Å; E74-R149 WeakPolarHBondContact OE1-CB 3.49Å; E74-R149 WeakPolarHBondContact OE1-CD 3.26Å; E74-R149 IonicContact OE1-NE 3.84Å; E74-R149 PolarHBondContact OE1-NE 3.13Å; E74-R149 VanDerWaalsContact OE1-NE 3.14Å; E74-R149 IonicContact OE2-CZ 3.18Å; E74-R149 IonicContact OE2-NE 2.74Å; E74-R149 PolarHBondContact OE2-NE 2.84Å; E74-R149 IonicContact OE2-NH2 3.01Å; E74-R149 PolarHBondContact OE2-NH2 2.84Å; M145-R149 WeakPolarHBondContact O-CB 3.22Å; M145-R149 PolarHBondContact O-N 2.97Å; Q146-R149 WeakPolarHBondContact O-CB 3.44Å; Q146-R149 PolarHBondContact O-N 2.89Å; Q146-R149 VanDerWaalsContact O-N 3.13Å; R149-L152 PolarHBondContact O-N 3.24Å; R149-D153 WeakPolarHBondContact O-CB 3.23Å; R149-D153 PolarHBondContact O-N 2.59Å
150E97.8Very high95.8Very high79 Ų7942.8 Ų42.837%0.36921%0.208SC..Hα-helixtrans-61.1-45.7178.1-71.5165.8-175.100111.4Q146 L148 L152 D153 E154Q146-E150 VanDerWaalsContact CG-OE1 3.24Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.38Å; Q146-E150 PolarHBondContact NE2-OE1 2.96Å; Q146-E150 WeakPolarHBondContact O-CG 3.33Å; Q146-E150 PolarHBondContact O-N 2.71Å; L148-E150 PolarHBondContact O-N 3.19Å; E150-L152 VanDerWaalsContact C-N 3.34Å; E150-L152 PolarHBondContact O-N 3.09Å; E150-D153 WeakPolarHBondContact O-CB 3.33Å; E150-D153 PolarHBondContact O-N 2.76Å; E150-D153 VanDerWaalsContact O-N 3.12Å; E150-E154 PolarHBondContact O-N 3.1Å
151A97.7Very high95.2Very high6 Ų647.5 Ų47.55%0.0523%0.228CC..Hα-helixtrans-63.3-38.1176.100000112.8L22 I31 K147 L148 D153 L155L22-A151 HydrophobicContact CD1-CB 3.91Å; L22-A151 HydrophobicContact CD2-CB 4.18Å; L22-A151 HydrophobicContact CG-CB 4.43Å; I31-A151 HydrophobicContact CD1-CB 3.81Å; K147-A151 WeakPolarHBondContact O-CB 3.36Å; K147-A151 PolarHBondContact O-N 3.25Å; K147-A151 VanDerWaalsContact O-N 3.11Å; L148-A151 PolarHBondContact O-N 2.85Å; A151-D153 VanDerWaalsContact C-N 3.32Å; A151-L155 WeakPolarHBondContact O-CB 3.44Å; A151-L155 WeakPolarHBondContact O-CD1 3.49Å; A151-L155 WeakPolarHBondContact O-CG 3.33Å; A151-L155 PolarHBondContact O-N 2.77Å
152L97.4Very high94.4Very high0 Ų050.6 Ų50.60%024%0.244CC..Hα-helixtrans-67.6-34.6174.5-68.3177.4000111.7I31 M42 I44 V63 F66 L70 L148 R149 E150 L156I31-L152 HydrophobicContact CD1-CD2 4.38Å; I31-L152 HydrophobicContact CG2-CD2 3.92Å; M42-L152 HydrophobicContact SD-CD2 3.99Å; I44-L152 HydrophobicContact CD1-CD2 4.28Å; V63-L152 HydrophobicContact CG1-CB 4.17Å; V63-L152 HydrophobicContact CG1-CD1 4.22Å; V63-L152 HydrophobicContact CG1-CD2 3.8Å; V63-L152 HydrophobicContact CG1-CG 4.27Å; F66-L152 HydrophobicContact CD1-CD1 3.77Å; F66-L152 HydrophobicContact CE1-CD1 3.96Å; L70-L152 HydrophobicContact CD1-CD1 3.97Å; L148-L152 HydrophobicContact CD1-CD1 4.24Å; L148-L152 HydrophobicContact CD1-CG 4.13Å; L148-L152 HydrophobicContact CG-CD1 4.09Å; L148-L152 HydrophobicContact CG-CG 4.39Å; L148-L152 VanDerWaalsContact O-CG 3.26Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.41Å; R149-L152 PolarHBondContact O-N 3.24Å; E150-L152 VanDerWaalsContact C-N 3.34Å; E150-L152 PolarHBondContact O-N 3.09Å; L152-L156 VanDerWaalsContact O-CB 3.26Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.93Å
153D96.2Very high93.4Very high59 Ų5952.4 Ų52.432%0.31625%0.253SS..Hα-helixtrans-63.1-52.9177-158.949.2000111K67 R149 E150 A151 L155 L156 D157K67-D153 HydrophobicContact CD-CB 4.05Å; K67-D153 VanDerWaalsContact CD-OD1 3.26Å; K67-D153 WeakPolarHBondContact CD-OD1 3.37Å; K67-D153 WeakPolarHBondContact CE-OD1 3.29Å; K67-D153 IonicContact NZ-OD1 2.66Å; K67-D153 PolarHBondContact NZ-OD1 3.14Å; R149-D153 WeakPolarHBondContact O-CB 3.23Å; R149-D153 PolarHBondContact O-N 2.59Å; E150-D153 WeakPolarHBondContact O-CB 3.33Å; E150-D153 PolarHBondContact O-N 2.76Å; E150-D153 VanDerWaalsContact O-N 3.12Å; A151-D153 VanDerWaalsContact C-N 3.32Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 3.23Å; D153-L156 PolarHBondContact O-N 3.07Å; D153-D157 WeakPolarHBondContact O-CB 3.35Å; D153-D157 PolarHBondContact O-N 2.84Å
154E96.3Very high92.1Very high101 Ų10150.1 Ų50.147%0.47225%0.247SC..Hα-helixtrans-55.1-45.4176.2-69.7177.8-167.600112.6R20 E150 D157 T158R20-E154 IonicContact NE-OE2 2.77Å; R20-E154 IonicContact NH2-OE2 3.67Å; E150-E154 PolarHBondContact O-N 3.1Å; E154-D157 PolarHBondContact O-N 2.99Å; E154-T158 WeakPolarHBondContact O-CB 3.18Å; E154-T158 PolarHBondContact O-N 2.77Å; E154-T158 PolarHBondContact O-OG1 3.49Å
155L96.5Very high90.7Very high7 Ų755.8 Ų55.84%0.03728%0.277CS..Hα-helixtrans-70.4-36.7-178.7-68.9173.5000112.1A18 R20 I31 V33 M42 A151 D153 Y159A18-L155 HydrophobicContact CB-CD2 4.04Å; R20-L155 HydrophobicContact CB-CD1 4.32Å; R20-L155 HydrophobicContact CG-CD1 4.24Å; R20-L155 HydrophobicContact CG-CD2 4.13Å; R20-L155 HydrophobicContact CG-CG 4.38Å; I31-L155 HydrophobicContact CB-CD1 4.03Å; I31-L155 HydrophobicContact CG2-CD1 3.45Å; I31-L155 VanDerWaalsContact CG2-CD1 3.45Å; V33-L155 HydrophobicContact CG2-CB 4.13Å; V33-L155 HydrophobicContact CG2-CD1 4.14Å; V33-L155 HydrophobicContact CG2-CD2 3.85Å; V33-L155 HydrophobicContact CG2-CG 4.27Å; M42-L155 HydrophobicContact CE-CB 3.72Å; M42-L155 HydrophobicContact SD-CB 4.31Å; A151-L155 WeakPolarHBondContact O-CB 3.44Å; A151-L155 WeakPolarHBondContact O-CD1 3.49Å; A151-L155 WeakPolarHBondContact O-CG 3.33Å; A151-L155 PolarHBondContact O-N 2.77Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 3.23Å; L155-Y159 HydrophobicContact CD2-CD2 4.13Å; L155-Y159 HydrophobicContact CD2-CE2 4.09Å; L155-Y159 WeakPolarHBondContact O-CB 2.99Å; L155-Y159 WeakPolarHBondContact O-CD2 3.47Å; L155-Y159 PolarHBondContact O-N 3.33Å
156L94.3Very high88.9Confident10 Ų1060 Ų605%0.05231%0.307CS..Hα-helixtrans-67-40.6173.3-80.8174000111.3M42 V60 V63 K67 L152 D153 T158 G160 K161M42-L156 HydrophobicContact CE-CD2 3.97Å; M42-L156 HydrophobicContact CE-CG 4.08Å; V60-L156 HydrophobicContact CG1-CD2 3.74Å; V63-L156 HydrophobicContact CB-CD2 4.17Å; V63-L156 HydrophobicContact CG1-CD1 3.92Å; V63-L156 HydrophobicContact CG1-CD2 4.03Å; V63-L156 HydrophobicContact CG1-CG 3.93Å; K67-L156 HydrophobicContact CD-CD1 4.18Å; L152-L156 VanDerWaalsContact O-CB 3.26Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.93Å; D153-L156 PolarHBondContact O-N 3.07Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 3.11Å; L156-G160 CarbonylContact O-C 3.58Å; L156-G160 WeakPolarHBondContact O-CA 3.42Å; L156-G160 PolarHBondContact O-N 3.17Å; L156-K161 PolarHBondContact O-N 3.5Å
157D93.5Very high87.2Confident78 Ų7859.6 Ų59.642%0.41731%0.305SS..Hα-helixtrans-67-32.5-179.3-105.939.4000112.6D153 E154 K161D153-D157 WeakPolarHBondContact O-CB 3.35Å; D153-D157 PolarHBondContact O-N 2.84Å; E154-D157 PolarHBondContact O-N 2.99Å; D157-K161 WeakPolarHBondContact O-CD 3.44Å; D157-K161 VanDerWaalsContact O-CE 3.28Å; D157-K161 WeakPolarHBondContact O-CE 3.42Å; D157-K161 WeakPolarHBondContact O-CG 3.42Å; D157-K161 PolarHBondContact O-NZ 2.76Å; D157-K161 IonicContact OD1-NZ 3.14Å; D157-K161 WeakPolarHBondContact OD2-CE 3.44Å; D157-K161 IonicContact OD2-NZ 3.44Å; D157-K161 PolarHBondContact OD2-NZ 2.97Å
158T94.3Very high85.2Confident94 Ų9457.5 Ų57.558%0.57731%0.309SS*.Hα-helixtrans-88.1-43.5-179.9-50.40000112.4E154 L156E154-T158 WeakPolarHBondContact O-CB 3.18Å; E154-T158 PolarHBondContact O-N 2.77Å; E154-T158 PolarHBondContact O-OG1 3.49Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 3.11Å
159Y93.6Very high83.8Confident73 Ų7363 Ų6329%0.28635%0.348SS..Hα-helixtrans-117.82.9-169.4-55.9-82.3000113.8L17 A18 V33 R40 L155L17-Y159 HydrophobicContact CB-CD1 4.08Å; L17-Y159 HydrophobicContact CB-CE1 4.09Å; L17-Y159 HydrophobicContact CD1-CD1 4.43Å; A18-Y159 HydrophobicContact CB-CD2 4.16Å; A18-Y159 HydrophobicContact CB-CE1 4.33Å; A18-Y159 HydrophobicContact CB-CE2 3.46Å; A18-Y159 VanDerWaalsContact CB-CE2 3.46Å; V33-Y159 HydrophobicContact CG1-CG 4.13Å; V33-Y159 HydrophobicContact CG2-CD2 4.22Å; R40-Y159 WeakPolarHBondContact CD-O 3.21Å; R40-Y159 PolarHBondContact NH1-O 3.11Å; L155-Y159 HydrophobicContact CD2-CD2 4.13Å; L155-Y159 HydrophobicContact CD2-CE2 4.09Å; L155-Y159 WeakPolarHBondContact O-CB 2.99Å; L155-Y159 WeakPolarHBondContact O-CD2 3.47Å; L155-Y159 PolarHBondContact O-N 3.33Å
160G86.2Confident83Confident1 Ų163.2 Ų63.21%0.0135%0.352CS..THydrogen-bonded Turntrans-112.5-22.7-179.400000114.4L156 D162 I163 V164L156-G160 CarbonylContact O-C 3.58Å; L156-G160 WeakPolarHBondContact O-CA 3.42Å; L156-G160 PolarHBondContact O-N 3.17Å; G160-D162 PolarHBondContact O-N 2.93Å; G160-I163 PolarHBondContact O-N 2.88Å; G160-I163 VanDerWaalsContact O-N 3.08Å; G160-V164 VanDerWaalsContact O-CG2 3.28Å; G160-V164 WeakPolarHBondContact O-CG2 3.28Å; G160-V164 PolarHBondContact O-N 3.41Å
161K83.1Confident82.4Confident99 Ų9963.4 Ų63.443%0.4336%0.361SS..Hα-helixtrans-55.6-53.4-174.8-79-177.9-177.7156.50112.8L156 D157 I163 V164 D165L156-K161 PolarHBondContact O-N 3.5Å; D157-K161 WeakPolarHBondContact O-CD 3.44Å; D157-K161 VanDerWaalsContact O-CE 3.28Å; D157-K161 WeakPolarHBondContact O-CE 3.42Å; D157-K161 WeakPolarHBondContact O-CG 3.42Å; D157-K161 PolarHBondContact O-NZ 2.76Å; D157-K161 IonicContact OD1-NZ 3.14Å; D157-K161 WeakPolarHBondContact OD2-CE 3.44Å; D157-K161 IonicContact OD2-NZ 3.44Å; D157-K161 PolarHBondContact OD2-NZ 2.97Å; K161-I163 PolarHBondContact O-N 3.43Å; K161-I163 VanDerWaalsContact O-N 3.1Å; K161-V164 PolarHBondContact O-N 3.02Å; K161-V164 VanDerWaalsContact O-N 3.14Å; K161-D165 WeakPolarHBondContact O-CB 3.33Å; K161-D165 PolarHBondContact O-N 3.14Å; K161-D165 VanDerWaalsContact O-OD2 3.13Å
162D79.3Confident81.8Confident72 Ų7271.6 Ų71.639%0.38540%0.398SS..Hα-helixtrans-53.8-35.6176.663.6-32.5000113.2R40 G160 S166R40-D162 IonicContact CZ-OD1 2.85Å; R40-D162 IonicContact CZ-OD2 2.87Å; R40-D162 IonicContact NH1-OD1 3.87Å; R40-D162 PolarHBondContact NH1-OD1 2.8Å; R40-D162 IonicContact NH1-OD2 3.39Å; R40-D162 PolarHBondContact NH1-OD2 2.82Å; R40-D162 IonicContact NH2-OD2 2.86Å; R40-D162 PolarHBondContact NH2-OD2 2.87Å; G160-D162 PolarHBondContact O-N 2.93Å; D162-S166 WeakPolarHBondContact O-CB 3.47Å; D162-S166 PolarHBondContact O-N 2.75Å; D162-S166 PolarHBondContact O-OG 3.28Å
163I76Confident81.3Confident44 Ų4475 Ų7523%0.22642%0.422CS..Hα-helixtrans-81.1-39.7-179.6-66.9167.4000111.9R40 V60 G160 K161 D165 Q167R40-I163 HydrophobicContact CB-CD1 3.3Å; R40-I163 HydrophobicContact CG-CD1 4.2Å; V60-I163 HydrophobicContact CB-CG2 4.17Å; V60-I163 HydrophobicContact CG1-CB 4.34Å; V60-I163 HydrophobicContact CG1-CG2 4.27Å; V60-I163 HydrophobicContact CG2-CD1 3.83Å; G160-I163 PolarHBondContact O-N 2.88Å; G160-I163 VanDerWaalsContact O-N 3.08Å; K161-I163 PolarHBondContact O-N 3.43Å; K161-I163 VanDerWaalsContact O-N 3.1Å; I163-D165 VanDerWaalsContact C-N 3.34Å; I163-Q167 PolarHBondContact O-N 2.75Å
164V68.5Low81.1Confident74 Ų7477.3 Ų77.345%0.44843%0.433SS..Hα-helixtrans-68.8-38.9177.5176.10000109.9V60 G160 K161V60-V164 HydrophobicContact CG1-CG2 4.03Å; G160-V164 VanDerWaalsContact O-CG2 3.28Å; G160-V164 WeakPolarHBondContact O-CG2 3.28Å; G160-V164 PolarHBondContact O-N 3.41Å; K161-V164 PolarHBondContact O-N 3.02Å; K161-V164 VanDerWaalsContact O-N 3.14Å
165D66.6Low81Confident118 Ų11880 Ų8063%0.63144%0.438SS*.Hα-helixtrans-79.3-36.5-179.3-60.4-23.3000112K161 I163 Q167K161-D165 WeakPolarHBondContact O-CB 3.33Å; K161-D165 PolarHBondContact O-N 3.14Å; K161-D165 VanDerWaalsContact O-OD2 3.13Å; I163-D165 VanDerWaalsContact C-N 3.34Å; D165-Q167 VanDerWaalsContact C-N 3.3Å; D165-Q167 PolarHBondContact O-N 2.66Å
166S60.8Low80.9Confident90 Ų9083.6 Ų83.663%0.62946%0.457SS*.Hα-helixtrans-74.1-19.5176.7-610000113.4D162 A168D162-S166 WeakPolarHBondContact O-CB 3.47Å; D162-S166 PolarHBondContact O-N 2.75Å; D162-S166 PolarHBondContact O-OG 3.28Å; S166-A168 PolarHBondContact O-N 2.85Å; S166-A168 VanDerWaalsContact O-N 3.12Å
167Q59.5Low81Confident80 Ų8091.1 Ų91.137%0.37449%0.485SS..SBendtrans-81.677.7162.5-71.8-163.5-4.900107.8I163 D165 S169I163-Q167 PolarHBondContact O-N 2.75Å; D165-Q167 VanDerWaalsContact C-N 3.3Å; D165-Q167 PolarHBondContact O-N 2.66Å; Q167-S169 PolarHBondContact O-N 3.32Å
168A56.8Low80.9Confident70 Ų7090.5 Ų90.558%0.57948%0.484SS*.  trans-39.7123.4162.900000107.6S166 L170S166-A168 PolarHBondContact O-N 2.85Å; S166-A168 VanDerWaalsContact O-N 3.12Å; A168-L170 VanDerWaalsContact C-N 3.35Å; A168-L170 PolarHBondContact O-N 3.46Å
169S67.1Low80.8Confident118 Ų11892.8 Ų92.883%0.82549%0.492SS*.  trans-51.5100.8-171.156.70000108.8Q167Q167-S169 PolarHBondContact O-N 3.32Å
170L81.5Confident80.8Confident54 Ų5494.6 Ų94.628%0.28351%0.507SS..PPolyproline II helixtrans-63.2143.1-178.1-63.7178.2000107.3A168 V187 Q189 V194A168-L170 VanDerWaalsContact C-N 3.35Å; A168-L170 PolarHBondContact O-N 3.46Å; L170-V187 HydrophobicContact CB-CB 4.34Å; L170-V187 HydrophobicContact CB-CG1 4.2Å; L170-V187 HydrophobicContact CD1-CG1 4.46Å; L170-V187 HydrophobicContact CD2-CG1 4.02Å; L170-V187 HydrophobicContact CG-CG1 4.46Å; L170-Q189 HydrophobicContact CD1-CB 3.93Å; L170-V194 HydrophobicContact CD2-CG1 4.02Å; L170-V194 HydrophobicContact CD2-CG2 4.29Å
171P85.8Confident81.2Confident84 Ų8497.1 Ų97.155%0.54552%0.518SS..PPolyproline II helixtrans-50.3145.7178.9-27.633.8000112.1V187P171-V187 HydrophobicContact CB-CG2 4.16Å; P171-V187 HydrophobicContact CG-CG2 4.14Å
172E83.6Confident81.8Confident177 Ų17793.1 Ų93.183%0.82750%0.502SS*.PPolyproline II helixtrans-58.7143.7176.4-165.2174-174.100110.8
173S88.6Confident82.7Confident72 Ų7292.4 Ų92.450%0.50350%0.495SS..PPolyproline II helixtrans-67.3136.517955.40000111.1C185 D186S173-C185 VanDerWaalsContact CA-O 3.31Å; S173-C185 WeakPolarHBondContact CA-O 3.38Å; S173-D186 WeakPolarHBondContact CB-OD1 3.44Å
174I91.8Very high83.6Confident107 Ų10794.4 Ų94.455%0.54950%0.501SS..EExtended strand (participates in β ladder)trans-101.7141177.1-57.2175.4000110I176 C185I174-I176 HydrophobicContact CG2-CD1 4.27Å; I174-I176 HydrophobicContact CG2-CG1 3.84Å; I174-C185 HydrophobicContact CB-CB 4.42Å; I174-C185 PolarHBondContact N-O 2.84Å; I174-C185 PolarHBondContact O-N 2.84Å
175R93.4Very high84.9Confident157 Ų15792 Ų9259%0.59249%0.487SS*.EExtended strand (participates in β ladder)trans-116.8123.2172.7-179-173.6178.6-130.12.6109.9V182 F183 Y184R175-V182 HydrophobicContact CG-CG1 3.59Å; R175-F183 WeakPolarHBondContact CA-O 3.3Å; R175-Y184 HydrophobicContact CB-CD1 4.45Å; R175-Y184 HydrophobicContact CB-CE1 4.49Å; R175-Y184 HydrophobicContact CG-CD1 4.31Å; R175-Y184 HydrophobicContact CG-CE1 3.98Å
176I95Very high86.2Confident83 Ų8387.5 Ų87.543%0.42646%0.463SS..EExtended strand (participates in β ladder)trans-122.4122.4-179.6-53173.5000107.9I174 V182 F183I174-I176 HydrophobicContact CG2-CD1 4.27Å; I174-I176 HydrophobicContact CG2-CG1 3.84Å; I176-V182 CarbonylContact O-C 3.58Å; I176-V182 WeakPolarHBondContact O-CA 3.23Å; I176-F183 HydrophobicContact CB-CB 4.35Å; I176-F183 PolarHBondContact N-O 2.72Å; I176-F183 PolarHBondContact O-N 2.96Å
177R95.4Very high87.7Confident169 Ų16984.1 Ų84.164%0.63844%0.438SS*.EExtended strand (participates in β ladder)trans-97.1132.6173.3-174.1178.3-178105.9-1.9109K181 V182R177-K181 WeakPolarHBondContact CA-O 3.45Å; R177-V182 HydrophobicContact CG-CG2 4.34Å
178T92.9Very high89Confident65 Ų6584.4 Ų84.440%0.39944%0.436SS..EExtended strand (participates in β ladder)trans-139.1116.8174.6-48.80000107.3N180 K181T178-N180 PolarHBondContact O-N 3.05Å; T178-K181 PolarHBondContact N-O 3.12Å; T178-K181 WeakPolarHBondContact O-CA 3.48Å; T178-K181 WeakPolarHBondContact O-CB 3.32Å; T178-K181 PolarHBondContact O-N 3.07Å; T178-K181 VanDerWaalsContact O-O 3.1Å
179D92.4Very high90.3Very high141 Ų14185 Ų8575%0.75443%0.427SS*.THydrogen-bonded Turntrans50.2-119.8-176.5-50.1-38.2000113.2K181D179-K181 VanDerWaalsContact C-N 3.29Å; D179-K181 PolarHBondContact O-N 2.81Å
180N93.2Very high90.9Very high112 Ų11283 Ų8360%0.59941%0.407SS*.THydrogen-bonded Turntrans-88.914.7178.368.2-10.9000113.6T178T178-N180 PolarHBondContact O-N 3.05Å
181K94.5Very high90.7Very high53 Ų5389.5 Ų89.523%0.2343%0.428CS..EExtended strand (participates in β ladder)trans-128.7154.5-174.3-40.4-169.2-173.3172.80112.9R177 T178 D179 F183 E200 V201 R202R177-K181 WeakPolarHBondContact CA-O 3.45Å; T178-K181 PolarHBondContact N-O 3.12Å; T178-K181 WeakPolarHBondContact O-CA 3.48Å; T178-K181 WeakPolarHBondContact O-CB 3.32Å; T178-K181 PolarHBondContact O-N 3.07Å; T178-K181 VanDerWaalsContact O-O 3.1Å; D179-K181 VanDerWaalsContact C-N 3.29Å; D179-K181 PolarHBondContact O-N 2.81Å; K181-F183 HydrophobicContact CB-CE2 4.48Å; K181-E200 HydrophobicContact CD-CG 4.03Å; K181-E200 WeakPolarHBondContact CD-OE1 3.39Å; K181-E200 WeakPolarHBondContact CE-OE1 3.22Å; K181-E200 IonicContact NZ-OE1 2.9Å; K181-E200 PolarHBondContact NZ-OE1 2.93Å; K181-V201 WeakPolarHBondContact CA-O 3.38Å; K181-R202 HydrophobicContact CD-CG 4.21Å; K181-R202 VanDerWaalsContact CE-CZ 3.43Å; K181-R202 HydrophobicContact CG-CG 4.04Å
182V96Very high90.6Very high16 Ų1696.7 Ų96.710%0.09744%0.444CS..EExtended strand (participates in β ladder)trans-127.4126.9172.4-175.20000109.5R175 I176 R177 Y184 V201R175-V182 HydrophobicContact CG-CG1 3.59Å; I176-V182 CarbonylContact O-C 3.58Å; I176-V182 WeakPolarHBondContact O-CA 3.23Å; R177-V182 HydrophobicContact CG-CG2 4.34Å; V182-Y184 HydrophobicContact CB-CE2 4.05Å; V182-Y184 HydrophobicContact CG1-CD2 4.13Å; V182-Y184 HydrophobicContact CG1-CE1 4.29Å; V182-Y184 HydrophobicContact CG1-CE2 3.55Å; V182-V201 PolarHBondContact N-O 3.27Å; V182-V201 PolarHBondContact O-N 3.35Å
183F96.9Very high90.7Very high56 Ų5689.7 Ų89.725%0.24642%0.419CS..EExtended strand (participates in β ladder)trans-95.7131.4170.5-61.8-89000110.2R175 I176 K181 I198 S199 E200R175-F183 WeakPolarHBondContact CA-O 3.3Å; I176-F183 HydrophobicContact CB-CB 4.35Å; I176-F183 PolarHBondContact N-O 2.72Å; I176-F183 PolarHBondContact O-N 2.96Å; K181-F183 HydrophobicContact CB-CE2 4.48Å; F183-I198 HydrophobicContact CD1-CG2 4.44Å; F183-S199 CarbonylContact C-O 3.57Å; F183-S199 WeakPolarHBondContact CA-O 3.33Å; F183-E200 HydrophobicContact CD1-CB 3.95Å; F183-E200 HydrophobicContact CD1-CG 4.39Å; F183-E200 HydrophobicContact CE1-CB 3.64Å; F183-E200 HydrophobicContact CE1-CG 3.74Å; F183-E200 HydrophobicContact CZ-CB 4.42Å; F183-E200 HydrophobicContact CZ-CG 4.02Å
184Y95.9Very high90.8Very high87 Ų8787.4 Ų87.434%0.34140%0.402SS..EExtended strand (participates in β ladder)trans-113.4121.6169.7-61.6-91.8000108.7R175 V182 I198 S199 V201R175-Y184 HydrophobicContact CB-CD1 4.45Å; R175-Y184 HydrophobicContact CB-CE1 4.49Å; R175-Y184 HydrophobicContact CG-CD1 4.31Å; R175-Y184 HydrophobicContact CG-CE1 3.98Å; V182-Y184 HydrophobicContact CB-CE2 4.05Å; V182-Y184 HydrophobicContact CG1-CD2 4.13Å; V182-Y184 HydrophobicContact CG1-CE1 4.29Å; V182-Y184 HydrophobicContact CG1-CE2 3.55Å; Y184-I198 CarbonylContact O-C 3.56Å; Y184-I198 WeakPolarHBondContact O-CA 3.47Å; Y184-S199 PolarHBondContact N-O 2.85Å; Y184-S199 PolarHBondContact O-N 2.86Å; Y184-V201 HydrophobicContact CD2-CG2 3.8Å; Y184-V201 HydrophobicContact CE2-CB 4.2Å; Y184-V201 HydrophobicContact CE2-CG2 3.77Å
185C95.4Very high91Very high23 Ų2384 Ų8416%0.15538%0.383CS..EExtended strand (participates in β ladder)trans-110.6101.3178.4-62.40000108.6S173 I174 M196S173-C185 VanDerWaalsContact CA-O 3.31Å; S173-C185 WeakPolarHBondContact CA-O 3.38Å; I174-C185 HydrophobicContact CB-CB 4.42Å; I174-C185 PolarHBondContact N-O 2.84Å; I174-C185 PolarHBondContact O-N 2.84Å; C185-M196 HydrophobicContact CB-SD 4.29Å
186D93.3Very high91.1Very high23 Ų2379.1 Ų79.112%0.12337%0.368CS..EExtended strand (participates in β ladder)trans-105.4121.9179.2-54.7-39.4000110S173 R188 M196 R197S173-D186 WeakPolarHBondContact CB-OD1 3.44Å; D186-R188 HydrophobicContact CB-CG 4.04Å; D186-R188 IonicContact OD2-CZ 3.65Å; D186-R188 IonicContact OD2-NE 3.38Å; D186-R188 PolarHBondContact OD2-NE 3.1Å; D186-R188 IonicContact OD2-NH2 2.95Å; D186-R188 PolarHBondContact OD2-NH2 2.83Å; D186-M196 CarbonylContact O-C 3.57Å; D186-M196 WeakPolarHBondContact O-CA 3.49Å; D186-R197 HydrophobicContact CB-CB 4.48Å; D186-R197 PolarHBondContact N-O 2.87Å; D186-R197 PolarHBondContact O-N 2.79Å
187V92.7Very high91.1Very high20 Ų2077.3 Ų77.312%0.12136%0.356CS..EExtended strand (participates in β ladder)trans-78.5126163.7-173.90000108.6L170 P171 V194 M196 W216L170-V187 HydrophobicContact CB-CB 4.34Å; L170-V187 HydrophobicContact CB-CG1 4.2Å; L170-V187 HydrophobicContact CD1-CG1 4.46Å; L170-V187 HydrophobicContact CD2-CG1 4.02Å; L170-V187 HydrophobicContact CG-CG1 4.46Å; P171-V187 HydrophobicContact CB-CG2 4.16Å; P171-V187 HydrophobicContact CG-CG2 4.14Å; V187-V194 HydrophobicContact CG1-CG1 3.55Å; V187-M196 HydrophobicContact CG2-CE 4.02Å; V187-W216 HydrophobicContact CG1-CH2 3.81Å; V187-W216 HydrophobicContact CG1-CZ2 4.24Å; V187-W216 HydrophobicContact CG2-CH2 4.45Å
188R87.5Confident91.2Very high85 Ų8571.5 Ų71.532%0.32134%0.337SS..EExtended strand (participates in β ladder)trans-133.2158.9-177.9-63.4-171.6-176.8-125.6-2.3110.2D186 V194 F195D186-R188 HydrophobicContact CB-CG 4.04Å; D186-R188 IonicContact OD2-CZ 3.65Å; D186-R188 IonicContact OD2-NE 3.38Å; D186-R188 PolarHBondContact OD2-NE 3.1Å; D186-R188 IonicContact OD2-NH2 2.95Å; D186-R188 PolarHBondContact OD2-NH2 2.83Å; R188-V194 CarbonylContact O-C 3.56Å; R188-V194 WeakPolarHBondContact O-CA 3.39Å; R188-F195 HydrophobicContact CB-CD1 4.49Å; R188-F195 HydrophobicContact CB-CE1 3.89Å; R188-F195 HydrophobicContact CB-CE2 4.16Å; R188-F195 HydrophobicContact CB-CZ 3.72Å; R188-F195 PolarHBondContact N-O 2.91Å; R188-F195 WeakPolarHBondContact O-CD1 3.33Å; R188-F195 PolarHBondContact O-N 3.16Å
189Q84.5Confident91.4Very high84 Ų8468.4 Ų68.439%0.39332%0.318SS..EExtended strand (participates in β ladder)trans-127.1139.8175.2-171.7178.711.700109.3L170 V194L170-Q189 HydrophobicContact CD1-CB 3.93Å; Q189-V194 HydrophobicContact CB-CG2 4.27Å; Q189-V194 HydrophobicContact CG-CG2 3.99Å
190N79.3Confident91.5Very high76 Ų7663.5 Ų63.541%0.40629%0.291SS..EExtended strand (participates in β ladder)trans-137.2-173.2167.366.630.8000108.9R192 G193 F195N190-R192 PolarHBondContact O-N 2.88Å; N190-R192 WeakPolarHBondContact OD1-CA 3.31Å; N190-R192 VanDerWaalsContact OD1-CB 3.3Å; N190-R192 WeakPolarHBondContact OD1-CB 3.44Å; N190-R192 PolarHBondContact OD1-N 2.94Å; N190-G193 PolarHBondContact N-O 3Å; N190-G193 VanDerWaalsContact N-O 3.07Å; N190-G193 PolarHBondContact O-N 2.94Å; N190-F195 HydrophobicContact CB-CE1 4.18Å; N190-F195 WeakPolarHBondContact ND2-CE1 3.46Å
191R76.1Confident91.6Very high189 Ų18960.1 Ų60.171%0.71327%0.274SS*.THydrogen-bonded Turntrans-60.6-19.1-179-59.1-162.8-159.2145.213.4114.8R37 R38 G193R37-R191 PolarHBondContact O-NE 2.95Å; R37-R191 PolarHBondContact O-NH2 2.69Å; R38-R191 VanDerWaalsContact CA-NH2 3.33Å; R191-G193 VanDerWaalsContact C-N 3.34Å
192R83.5Confident91.6Very high235 Ų23562.7 Ų62.789%0.88728%0.282SS*.THydrogen-bonded Turntrans-86.4-6.5177.8-60.217461.1-165-0.5112.8N190N190-R192 PolarHBondContact O-N 2.88Å; N190-R192 WeakPolarHBondContact OD1-CA 3.31Å; N190-R192 VanDerWaalsContact OD1-CB 3.3Å; N190-R192 WeakPolarHBondContact OD1-CB 3.44Å; N190-R192 PolarHBondContact OD1-N 2.94Å
193G86.6Confident91.2Very high30 Ų3067.1 Ų67.131%0.30932%0.321SS..EExtended strand (participates in β ladder)trans119.3-169.2-178.100000113.4N190 R191N190-G193 PolarHBondContact N-O 3Å; N190-G193 VanDerWaalsContact N-O 3.07Å; N190-G193 PolarHBondContact O-N 2.94Å; R191-G193 VanDerWaalsContact C-N 3.34Å
194V91.4Very high90.9Very high25 Ų2571.3 Ų71.315%0.15235%0.346CS..EExtended strand (participates in β ladder)trans-82.9142.1177.4-174.60000109.9L170 V187 R188 Q189 E213 W216L170-V194 HydrophobicContact CD2-CG1 4.02Å; L170-V194 HydrophobicContact CD2-CG2 4.29Å; V187-V194 HydrophobicContact CG1-CG1 3.55Å; R188-V194 CarbonylContact O-C 3.56Å; R188-V194 WeakPolarHBondContact O-CA 3.39Å; Q189-V194 HydrophobicContact CB-CG2 4.27Å; Q189-V194 HydrophobicContact CG-CG2 3.99Å; V194-E213 HydrophobicContact CB-CB 4.15Å; V194-E213 WeakPolarHBondContact CB-OE2 3.5Å; V194-E213 WeakPolarHBondContact O-CB 3.14Å; V194-E213 PolarHBondContact O-N 2.84Å; V194-W216 HydrophobicContact CG1-CH2 3.68Å; V194-W216 HydrophobicContact CG1-CZ2 4.1Å
195F94.7Very high90.7Very high34 Ų3470.9 Ų70.915%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-151.3150.6177.366.7-79.1000110.5R188 N190 R197 V211R188-F195 HydrophobicContact CB-CD1 4.49Å; R188-F195 HydrophobicContact CB-CE1 3.89Å; R188-F195 HydrophobicContact CB-CE2 4.16Å; R188-F195 HydrophobicContact CB-CZ 3.72Å; R188-F195 PolarHBondContact N-O 2.91Å; R188-F195 WeakPolarHBondContact O-CD1 3.33Å; R188-F195 PolarHBondContact O-N 3.16Å; N190-F195 HydrophobicContact CB-CE1 4.18Å; N190-F195 WeakPolarHBondContact ND2-CE1 3.46Å; F195-R197 HydrophobicContact CE2-CB 4.2Å; F195-V211 CarbonylContact C-O 3.58Å; F195-V211 VanDerWaalsContact CA-O 3.31Å; F195-V211 WeakPolarHBondContact CA-O 3.48Å; F195-V211 WeakPolarHBondContact CB-O 3.34Å
196M95.7Very high90.6Very high55 Ų5576.1 Ų76.127%0.27137%0.368SS..EExtended strand (participates in β ladder)trans-95.5127.2172.3-172.1-179.6-68.300108.8C185 D186 V187 I198 S210 V211 W216C185-M196 HydrophobicContact CB-SD 4.29Å; D186-M196 CarbonylContact O-C 3.57Å; D186-M196 WeakPolarHBondContact O-CA 3.49Å; V187-M196 HydrophobicContact CG2-CE 4.02Å; M196-I198 HydrophobicContact CG-CG1 4.11Å; M196-I198 HydrophobicContact SD-CD1 4.26Å; M196-I198 HydrophobicContact SD-CG1 4.15Å; M196-S210 CarbonylContact O-C 3.54Å; M196-S210 WeakPolarHBondContact O-CA 3.46Å; M196-V211 PolarHBondContact N-O 3.01Å; M196-V211 PolarHBondContact O-N 2.94Å; M196-W216 HydrophobicContact CB-CZ2 3.95Å
197R95.9Very high90.7Very high46 Ų4677.6 Ų77.617%0.17438%0.38CS..EExtended strand (participates in β ladder)trans-100.3114.4173.9-171.7-178.9-177.7-139.4-5.4108.7D186 F195 V208 I209D186-R197 HydrophobicContact CB-CB 4.48Å; D186-R197 PolarHBondContact N-O 2.87Å; D186-R197 PolarHBondContact O-N 2.79Å; F195-R197 HydrophobicContact CE2-CB 4.2Å; R197-V208 HydrophobicContact CG-CG1 3.62Å; R197-I209 WeakPolarHBondContact CA-O 3.36Å
198I96.4Very high90.9Very high47 Ų4779.3 Ų79.324%0.24139%0.391CS..EExtended strand (participates in β ladder)trans-104.1118.4178-56.7171.1000107.1F183 Y184 M196 V208 I209 V211F183-I198 HydrophobicContact CD1-CG2 4.44Å; Y184-I198 CarbonylContact O-C 3.56Å; Y184-I198 WeakPolarHBondContact O-CA 3.47Å; M196-I198 HydrophobicContact CG-CG1 4.11Å; M196-I198 HydrophobicContact SD-CD1 4.26Å; M196-I198 HydrophobicContact SD-CG1 4.15Å; I198-V208 WeakPolarHBondContact O-CA 3.34Å; I198-I209 HydrophobicContact CB-CD1 4.5Å; I198-I209 HydrophobicContact CB-CG1 3.93Å; I198-I209 HydrophobicContact CD1-CD1 4.33Å; I198-I209 PolarHBondContact N-O 3.3Å; I198-I209 VanDerWaalsContact N-O 3.1Å; I198-I209 PolarHBondContact O-N 3.37Å; I198-V211 HydrophobicContact CD1-CG2 4.4Å
199S96.7Very high91.3Very high0 Ų079.8 Ų79.80%040%0.399CS..EExtended strand (participates in β ladder)trans-111.8122.2177.4-53.50000110.2F183 Y184 R206 S207F183-S199 CarbonylContact C-O 3.57Å; F183-S199 WeakPolarHBondContact CA-O 3.33Å; Y184-S199 PolarHBondContact N-O 2.85Å; Y184-S199 PolarHBondContact O-N 2.86Å; S199-R206 PolarHBondContact OG-NH2 2.93Å; S199-S207 CarbonylContact C-O 3.58Å; S199-S207 WeakPolarHBondContact CA-O 3.31Å
200E96.1Very high91.9Very high38 Ų3879.1 Ų79.118%0.17840%0.403CS..EExtended strand (participates in β ladder)trans-90127.7164.9179.1-168.316700108.1K181 F183 R202 R206 S207K181-E200 HydrophobicContact CD-CG 4.03Å; K181-E200 WeakPolarHBondContact CD-OE1 3.39Å; K181-E200 WeakPolarHBondContact CE-OE1 3.22Å; K181-E200 IonicContact NZ-OE1 2.9Å; K181-E200 PolarHBondContact NZ-OE1 2.93Å; F183-E200 HydrophobicContact CD1-CB 3.95Å; F183-E200 HydrophobicContact CD1-CG 4.39Å; F183-E200 HydrophobicContact CE1-CB 3.64Å; F183-E200 HydrophobicContact CE1-CG 3.74Å; F183-E200 HydrophobicContact CZ-CB 4.42Å; F183-E200 HydrophobicContact CZ-CG 4.02Å; E200-R202 IonicContact OE1-CZ 3.31Å; E200-R202 VanDerWaalsContact OE1-CZ 3.31Å; E200-R202 IonicContact OE1-NE 2.99Å; E200-R202 PolarHBondContact OE1-NE 2.91Å; E200-R202 IonicContact OE1-NH2 2.75Å; E200-R202 PolarHBondContact OE1-NH2 2.85Å; E200-R206 WeakPolarHBondContact O-CA 3.4Å; E200-S207 WeakPolarHBondContact CB-OG 3.4Å; E200-S207 PolarHBondContact N-O 2.96Å; E200-S207 PolarHBondContact O-N 3.29Å; E200-S207 PolarHBondContact OE2-OG 3.11Å
201V95.7Very high92.7Very high41 Ų4175.9 Ų75.925%0.24839%0.387CS..EExtended strand (participates in β ladder)trans-124.9125.6-178.7-176.50000109.8K181 V182 Y184 R206K181-V201 WeakPolarHBondContact CA-O 3.38Å; V182-V201 PolarHBondContact N-O 3.27Å; V182-V201 PolarHBondContact O-N 3.35Å; Y184-V201 HydrophobicContact CD2-CG2 3.8Å; Y184-V201 HydrophobicContact CE2-CB 4.2Å; Y184-V201 HydrophobicContact CE2-CG2 3.77Å; V201-R206 HydrophobicContact CG2-CG 4.09Å
202R93.2Very high93.7Very high106 Ų10669.9 Ų69.940%0.437%0.372SS..  trans-113-175.9168-52.5-171.1-163.8172.77109.2K181 E200 D204 V205K181-R202 HydrophobicContact CD-CG 4.21Å; K181-R202 VanDerWaalsContact CE-CZ 3.43Å; K181-R202 HydrophobicContact CG-CG 4.04Å; E200-R202 IonicContact OE1-CZ 3.31Å; E200-R202 VanDerWaalsContact OE1-CZ 3.31Å; E200-R202 IonicContact OE1-NE 2.99Å; E200-R202 PolarHBondContact OE1-NE 2.91Å; E200-R202 IonicContact OE1-NH2 2.75Å; E200-R202 PolarHBondContact OE1-NH2 2.85Å; R202-D204 VanDerWaalsContact C-N 3.28Å; R202-D204 PolarHBondContact O-N 2.84Å; R202-V205 PolarHBondContact N-O 2.99Å
203A88.9Confident94.3Very high110 Ų11063.5 Ų63.591%0.90935%0.352SS*.SBendtrans-55.5-41.3-17700000113.3
204D89.8Confident94.7Very high143 Ų14371.2 Ų71.277%0.76538%0.377SS*.SBendtrans-125.7-22.1-172.461-26.2000113.2R202R202-D204 VanDerWaalsContact C-N 3.28Å; R202-D204 PolarHBondContact O-N 2.84Å
205V91.1Very high94.9Very high78 Ų7870.8 Ų70.847%0.47338%0.378SS..  trans-110.1137.4-176.8-178.60000112R202R202-V205 PolarHBondContact N-O 2.99Å
206R93.9Very high95Very high133 Ų13372.2 Ų72.250%0.50238%0.382SS..EExtended strand (participates in β ladder)trans-129.1124169177.9176.1-177.5169.69.3110.9S199 E200 V201 V208S199-R206 PolarHBondContact OG-NH2 2.93Å; E200-R206 WeakPolarHBondContact O-CA 3.4Å; V201-R206 HydrophobicContact CG2-CG 4.09Å; R206-V208 HydrophobicContact CG-CG2 4.1Å
207S95.5Very high95.1Very high54 Ų5474.4 Ų74.438%0.37839%0.394SS..EExtended strand (participates in β ladder)trans-112.2153.1169.870.10000110.1S199 E200S199-S207 CarbonylContact C-O 3.58Å; S199-S207 WeakPolarHBondContact CA-O 3.31Å; E200-S207 WeakPolarHBondContact CB-OG 3.4Å; E200-S207 PolarHBondContact N-O 2.96Å; E200-S207 PolarHBondContact O-N 3.29Å; E200-S207 PolarHBondContact OE2-OG 3.11Å
208V96.3Very high95.2Very high57 Ų5782 Ų8235%0.34542%0.423SS..EExtended strand (participates in β ladder)trans-147.9135.2-174.2178.80000110.6R197 I198 R206R197-V208 HydrophobicContact CG-CG1 3.62Å; I198-V208 WeakPolarHBondContact O-CA 3.34Å; R206-V208 HydrophobicContact CG-CG2 4.1Å
209I97.1Very high95.3Very high95 Ų9586 Ų8649%0.48744%0.438SS..EExtended strand (participates in β ladder)trans-117.5163.6164.565169.9000111R197 I198 V211R197-I209 WeakPolarHBondContact CA-O 3.36Å; I198-I209 HydrophobicContact CB-CD1 4.5Å; I198-I209 HydrophobicContact CB-CG1 3.93Å; I198-I209 HydrophobicContact CD1-CD1 4.33Å; I198-I209 PolarHBondContact N-O 3.3Å; I198-I209 VanDerWaalsContact N-O 3.1Å; I198-I209 PolarHBondContact O-N 3.37Å; I209-V211 HydrophobicContact CD1-CG2 4Å; I209-V211 HydrophobicContact CG1-CG2 4.46Å
210S96.4Very high95.3Very high69 Ų6992.3 Ų92.348%0.48346%0.462SS..EExtended strand (participates in β ladder)trans-131.5117.9172.8-66.10000109M196 P212M196-S210 CarbonylContact O-C 3.54Å; M196-S210 WeakPolarHBondContact O-CA 3.46Å; S210-P212 WeakPolarHBondContact O-CD 3.39Å
211V96.3Very high95.4Very high9 Ų993.7 Ų93.76%0.05547%0.471CS..EExtended strand (participates in β ladder)trans-104.6110-178.5-170.20000108.2F195 M196 I198 I209 W216 F219F195-V211 CarbonylContact C-O 3.58Å; F195-V211 VanDerWaalsContact CA-O 3.31Å; F195-V211 WeakPolarHBondContact CA-O 3.48Å; F195-V211 WeakPolarHBondContact CB-O 3.34Å; M196-V211 PolarHBondContact N-O 3.01Å; M196-V211 PolarHBondContact O-N 2.94Å; I198-V211 HydrophobicContact CD1-CG2 4.4Å; I209-V211 HydrophobicContact CD1-CG2 4Å; I209-V211 HydrophobicContact CG1-CG2 4.46Å; V211-W216 PolarHBondContact O-NE1 3.48Å; V211-F219 HydrophobicContact CG1-CD2 3.63Å; V211-F219 HydrophobicContact CG1-CE2 3.74Å; V211-F219 HydrophobicContact CG1-CG 4.11Å; V211-F219 HydrophobicContact CG1-CZ 4.29Å; V211-F219 HydrophobicContact CG2-CE1 4.43Å; V211-F219 HydrophobicContact CG2-CZ 4.4Å
212P96.6Very high95.5Very high62 Ų6299.6 Ų99.640%0.40349%0.49SS..EExtended strand (participates in β ladder)trans-59.6145.5175.5-22.634.2000111.7S210 K214 G215S210-P212 WeakPolarHBondContact O-CD 3.39Å; P212-K214 HydrophobicContact CB-CG 4.09Å; P212-K214 PolarHBondContact O-N 3.3Å; P212-K214 VanDerWaalsContact O-N 3.16Å; P212-G215 PolarHBondContact O-N 3.06Å
213E95.7Very high95.7Very high101 Ų101101.5 Ų101.547%0.47250%0.501SS..G310 helixtrans-49.7-43.2-178.1177.7177.9-149.400113.7V194 G215 W216V194-E213 HydrophobicContact CB-CB 4.15Å; V194-E213 WeakPolarHBondContact CB-OE2 3.5Å; V194-E213 WeakPolarHBondContact O-CB 3.14Å; V194-E213 PolarHBondContact O-N 2.84Å; E213-G215 PolarHBondContact O-N 2.91Å; E213-W216 VanDerWaalsContact CA-CE2 3.46Å; E213-W216 HydrophobicContact CB-CD2 4.27Å; E213-W216 HydrophobicContact CB-CE3 4.34Å; E213-W216 HydrophobicContact CB-CH2 4.11Å; E213-W216 HydrophobicContact CB-CZ2 4.03Å; E213-W216 HydrophobicContact CB-CZ3 4.26Å; E213-W216 HydrophobicContact CG-CD2 4.27Å; E213-W216 HydrophobicContact CG-CE3 3.88Å; E213-W216 HydrophobicContact CG-CH2 4.09Å; E213-W216 HydrophobicContact CG-CZ2 4.45Å; E213-W216 HydrophobicContact CG-CZ3 3.79Å; E213-W216 WeakPolarHBondContact O-CB 3.46Å; E213-W216 PolarHBondContact O-N 2.9Å
214K95.2Very high96.1Very high192 Ų192100.8 Ų100.884%0.83548%0.48SS*.G310 helixtrans-56.3-17.6176.765177.8-177.51780115.2P212P212-K214 HydrophobicContact CB-CG 4.09Å; P212-K214 PolarHBondContact O-N 3.3Å; P212-K214 VanDerWaalsContact O-N 3.16Å
215G96.5Very high96.5Very high16 Ų1698 Ų9817%0.16547%0.465CS..G310 helixtrans-97.6-13.3178.800000114.5P212 E213 I217 R218 F219P212-G215 PolarHBondContact O-N 3.06Å; E213-G215 PolarHBondContact O-N 2.91Å; G215-I217 PolarHBondContact O-N 2.89Å; G215-R218 PolarHBondContact O-N 3.24Å; G215-R218 VanDerWaalsContact O-N 3.11Å; G215-F219 PolarHBondContact O-N 2.77Å
216W96.8Very high96.8Very high65 Ų6596.5 Ų96.525%0.24646%0.456CS..Hα-helixtrans-59.5-43-168.5-67.4-10.1000113.4V187 V194 M196 V211 E213 R218 F219 R220V187-W216 HydrophobicContact CG1-CH2 3.81Å; V187-W216 HydrophobicContact CG1-CZ2 4.24Å; V187-W216 HydrophobicContact CG2-CH2 4.45Å; V194-W216 HydrophobicContact CG1-CH2 3.68Å; V194-W216 HydrophobicContact CG1-CZ2 4.1Å; M196-W216 HydrophobicContact CB-CZ2 3.95Å; V211-W216 PolarHBondContact O-NE1 3.48Å; E213-W216 VanDerWaalsContact CA-CE2 3.46Å; E213-W216 HydrophobicContact CB-CD2 4.27Å; E213-W216 HydrophobicContact CB-CE3 4.34Å; E213-W216 HydrophobicContact CB-CH2 4.11Å; E213-W216 HydrophobicContact CB-CZ2 4.03Å; E213-W216 HydrophobicContact CB-CZ3 4.26Å; E213-W216 HydrophobicContact CG-CD2 4.27Å; E213-W216 HydrophobicContact CG-CE3 3.88Å; E213-W216 HydrophobicContact CG-CH2 4.09Å; E213-W216 HydrophobicContact CG-CZ2 4.45Å; E213-W216 HydrophobicContact CG-CZ3 3.79Å; E213-W216 WeakPolarHBondContact O-CB 3.46Å; E213-W216 PolarHBondContact O-N 2.9Å; W216-R218 VanDerWaalsContact C-N 3.3Å; W216-R218 PolarHBondContact O-N 3Å; W216-F219 PolarHBondContact O-N 2.75Å; W216-R220 WeakPolarHBondContact O-CB 3.46Å; W216-R220 PolarHBondContact O-N 2.99Å
217I97.7Very high96.9Very high101 Ų10193.1 Ų93.152%0.51845%0.452SS..Hα-helixtrans-61.5-39.5179.3-60.3-59.5000111.5G215 N221G215-I217 PolarHBondContact O-N 2.89Å; I217-N221 WeakPolarHBondContact O-CB 3.32Å; I217-N221 PolarHBondContact O-N 3.49Å; I217-N221 PolarHBondContact O-OD1 3.22Å
218R97.7Very high97Very high206 Ų20695.5 Ų95.578%0.77746%0.458SS*.Hα-helixtrans-68.2-45.1177.6-64.8-175.2-168.3167.81.9111.7G215 W216 R220 Y222G215-R218 PolarHBondContact O-N 3.24Å; G215-R218 VanDerWaalsContact O-N 3.11Å; W216-R218 VanDerWaalsContact C-N 3.3Å; W216-R218 PolarHBondContact O-N 3Å; R218-R220 VanDerWaalsContact C-N 3.35Å; R218-Y222 WeakPolarHBondContact O-CB 3.37Å; R218-Y222 PolarHBondContact O-N 2.97Å
219F97.7Very high96.9Very high129 Ų12998.5 Ų98.557%0.56647%0.468SS*.Hα-helixtrans-59.7-45.5175.6-92.6-95.1000111.6V211 G215 W216 F223V211-F219 HydrophobicContact CG1-CD2 3.63Å; V211-F219 HydrophobicContact CG1-CE2 3.74Å; V211-F219 HydrophobicContact CG1-CG 4.11Å; V211-F219 HydrophobicContact CG1-CZ 4.29Å; V211-F219 HydrophobicContact CG2-CE1 4.43Å; V211-F219 HydrophobicContact CG2-CZ 4.4Å; G215-F219 PolarHBondContact O-N 2.77Å; W216-F219 PolarHBondContact O-N 2.75Å; F219-F223 VanDerWaalsContact O-CB 3.32Å; F219-F223 WeakPolarHBondContact O-CB 3.49Å; F219-F223 PolarHBondContact O-N 2.97Å
220R97.5Very high96.8Very high134 Ų13498.7 Ų98.751%0.50647%0.468SS..Hα-helixtrans-60.3-53.1178.8-178-163.967.8-1772.2111.2W216 R218 Y222 F223 M224W216-R220 WeakPolarHBondContact O-CB 3.46Å; W216-R220 PolarHBondContact O-N 2.99Å; R218-R220 VanDerWaalsContact C-N 3.35Å; R220-Y222 PolarHBondContact O-N 3.3Å; R220-F223 PolarHBondContact O-N 3.25Å; R220-M224 HydrophobicContact CG-SD 4.14Å; R220-M224 WeakPolarHBondContact O-CG 3.39Å; R220-M224 PolarHBondContact O-N 3.05Å
221N97.8Very high96.7Very high66 Ų6698 Ų9835%0.35347%0.466SS..Hα-helixtrans-60.8-48.3-176.9-66.92.8000110.6I217 F223 M224 D225I217-N221 WeakPolarHBondContact O-CB 3.32Å; I217-N221 PolarHBondContact O-N 3.49Å; I217-N221 PolarHBondContact O-OD1 3.22Å; N221-F223 VanDerWaalsContact C-N 3.3Å; N221-F223 PolarHBondContact O-N 3.45Å; N221-M224 PolarHBondContact O-N 2.97Å; N221-M224 VanDerWaalsContact O-N 3.11Å; N221-D225 PolarHBondContact O-N 3.04Å
222Y98.2Very high96.5Very high165 Ų165103.4 Ų103.465%0.64749%0.489SS*.Hα-helixtrans-58.1-41.7176.5-180-99.9000112.7R218 R220 D225 V226R218-Y222 WeakPolarHBondContact O-CB 3.37Å; R218-Y222 PolarHBondContact O-N 2.97Å; R220-Y222 PolarHBondContact O-N 3.3Å; Y222-D225 PolarHBondContact O-N 2.98Å; Y222-V226 HydrophobicContact CD1-CG2 4.3Å; Y222-V226 HydrophobicContact CE1-CG2 3.86Å; Y222-V226 HydrophobicContact CE2-CG2 4.12Å; Y222-V226 VanDerWaalsContact O-CG2 3.3Å; Y222-V226 WeakPolarHBondContact O-CG2 3.5Å; Y222-V226 PolarHBondContact O-N 2.93Å
223F97.6Very high96.2Very high146 Ų146106.1 Ų106.164%0.6450%0.499SS*.Hα-helixtrans-65-40177.4-172.9-99.8000112.1F219 R220 N221 C227F219-F223 VanDerWaalsContact O-CB 3.32Å; F219-F223 WeakPolarHBondContact O-CB 3.49Å; F219-F223 PolarHBondContact O-N 2.97Å; R220-F223 PolarHBondContact O-N 3.25Å; N221-F223 VanDerWaalsContact C-N 3.3Å; N221-F223 PolarHBondContact O-N 3.45Å; F223-C227 PolarHBondContact O-N 2.93Å; F223-C227 PolarHBondContact O-SG 2.91Å
224M97.9Very high95.7Very high95 Ų95108.2 Ų108.247%0.46851%0.509SS..Hα-helixtrans-63.3-47.3175.1-69.9-178.165.900111.6R220 N221 V226 C227 E228R220-M224 HydrophobicContact CG-SD 4.14Å; R220-M224 WeakPolarHBondContact O-CG 3.39Å; R220-M224 PolarHBondContact O-N 3.05Å; N221-M224 PolarHBondContact O-N 2.97Å; N221-M224 VanDerWaalsContact O-N 3.11Å; M224-V226 VanDerWaalsContact C-N 3.32Å; M224-V226 PolarHBondContact O-N 3.12Å; M224-C227 WeakPolarHBondContact O-CB 3.44Å; M224-C227 PolarHBondContact O-N 3.38Å; M224-C227 VanDerWaalsContact O-N 3.12Å; M224-E228 WeakPolarHBondContact O-CG 3.3Å; M224-E228 PolarHBondContact O-N 3.11Å
225D97.7Very high94.9Very high85 Ų85103.7 Ų103.746%0.45550%0.498SS..Hα-helixtrans-56.7-47.1178.1-60.2-23.5000110.7N221 Y222 C227 E228 E229N221-D225 PolarHBondContact O-N 3.04Å; Y222-D225 PolarHBondContact O-N 2.98Å; D225-C227 PolarHBondContact O-N 3.29Å; D225-E228 PolarHBondContact O-N 3.45Å; D225-E229 WeakPolarHBondContact O-CG 3.4Å; D225-E229 PolarHBondContact O-N 3.25Å
226V97.2Very high93.5Very high46 Ų46108.7 Ų108.728%0.27952%0.52SS..Hα-helixtrans-64.2-38.8177.4171.80000112.1Y222 M224 E228 E229 M230Y222-V226 HydrophobicContact CD1-CG2 4.3Å; Y222-V226 HydrophobicContact CE1-CG2 3.86Å; Y222-V226 HydrophobicContact CE2-CG2 4.12Å; Y222-V226 VanDerWaalsContact O-CG2 3.3Å; Y222-V226 WeakPolarHBondContact O-CG2 3.5Å; Y222-V226 PolarHBondContact O-N 2.93Å; M224-V226 VanDerWaalsContact C-N 3.32Å; M224-V226 PolarHBondContact O-N 3.12Å; V226-E228 VanDerWaalsContact C-N 3.35Å; V226-E229 PolarHBondContact O-N 3.43Å; V226-M230 HydrophobicContact CG1-CG 4.34Å; V226-M230 WeakPolarHBondContact O-CB 3.26Å; V226-M230 VanDerWaalsContact O-CG 3.26Å; V226-M230 WeakPolarHBondContact O-CG 3.44Å; V226-M230 PolarHBondContact O-N 3.4Å
227C96.5Very high91.7Very high62 Ų62108.9 Ų108.942%0.41954%0.543SS..Hα-helixtrans-62.3-42.3175.2-76.30000111.9F223 M224 D225 A231F223-C227 PolarHBondContact O-N 2.93Å; F223-C227 PolarHBondContact O-SG 2.91Å; M224-C227 WeakPolarHBondContact O-CB 3.44Å; M224-C227 PolarHBondContact O-N 3.38Å; M224-C227 VanDerWaalsContact O-N 3.12Å; D225-C227 PolarHBondContact O-N 3.29Å; C227-A231 WeakPolarHBondContact O-CB 3.44Å; C227-A231 PolarHBondContact O-N 2.97Å
228E96.1Very high89.4Confident105 Ų105107.2 Ų107.249%0.49155%0.551SS.*Hα-helixtrans-67-41.4177.4-70.2179.6-167.300112.2M224 D225 V226 A231 K232M224-E228 WeakPolarHBondContact O-CG 3.3Å; M224-E228 PolarHBondContact O-N 3.11Å; D225-E228 PolarHBondContact O-N 3.45Å; V226-E228 VanDerWaalsContact C-N 3.35Å; E228-A231 PolarHBondContact O-N 3.45Å; E228-K232 WeakPolarHBondContact O-CG 3.48Å; E228-K232 PolarHBondContact O-N 3.26Å
229E95.6Very high87Confident119 Ų119102.6 Ų102.656%0.55655%0.55SS*.Hα-helixtrans-61.1-46.8174.8-74.7179.8179.100111.7D225 V226 A231 K232 L233D225-E229 WeakPolarHBondContact O-CG 3.4Å; D225-E229 PolarHBondContact O-N 3.25Å; V226-E229 PolarHBondContact O-N 3.43Å; E229-A231 VanDerWaalsContact C-N 3.33Å; E229-A231 PolarHBondContact O-N 3.23Å; E229-K232 PolarHBondContact O-N 3.21Å; E229-L233 PolarHBondContact O-N 3.17Å
230M94Very high84.5Confident99 Ų99104.9 Ų104.949%0.48856%0.562SS.*Hα-helixtrans-64.4-37.5178.1-70.4-67.4-77.100112.2V226 K232 L233 H234V226-M230 HydrophobicContact CG1-CG 4.34Å; V226-M230 WeakPolarHBondContact O-CB 3.26Å; V226-M230 VanDerWaalsContact O-CG 3.26Å; V226-M230 WeakPolarHBondContact O-CG 3.44Å; V226-M230 PolarHBondContact O-N 3.4Å; M230-K232 VanDerWaalsContact C-N 3.33Å; M230-K232 PolarHBondContact O-N 3.43Å; M230-L233 PolarHBondContact O-N 3.05Å; M230-L233 HydrophobicContact SD-CD1 4.19Å; M230-H234 PolarHBondContact O-CD2 3.01Å; M230-H234 PolarHBondContact O-N 3.13Å
231A93.9Very high81.7Confident55 Ų55106.7 Ų106.746%0.45558%0.582SS.*Hα-helixtrans-60.5-41.8175.900000112.1C227 E228 E229 L233 H234 T235C227-A231 WeakPolarHBondContact O-CB 3.44Å; C227-A231 PolarHBondContact O-N 2.97Å; E228-A231 PolarHBondContact O-N 3.45Å; E229-A231 VanDerWaalsContact C-N 3.33Å; E229-A231 PolarHBondContact O-N 3.23Å; A231-L233 VanDerWaalsContact C-N 3.34Å; A231-L233 PolarHBondContact O-N 2.91Å; A231-H234 PolarHBondContact O-N 3.28Å; A231-T235 PolarHBondContact O-N 3.47Å; A231-T235 VanDerWaalsContact O-N 3.16Å
232K92.6Very high78.8Confident123 Ų123108 Ų10854%0.53560%0.602SS.*Hα-helixtrans-65-36.2177.6-67.9166.7-172.3167.20112.6E228 E229 M230 H234 T235 N236E228-K232 WeakPolarHBondContact O-CG 3.48Å; E228-K232 PolarHBondContact O-N 3.26Å; E229-K232 PolarHBondContact O-N 3.21Å; M230-K232 VanDerWaalsContact C-N 3.33Å; M230-K232 PolarHBondContact O-N 3.43Å; K232-H234 VanDerWaalsContact C-N 3.35Å; K232-T235 WeakPolarHBondContact CA-OG1 3.39Å; K232-T235 PolarHBondContact O-N 3.16Å; K232-T235 PolarHBondContact O-OG1 3.43Å; K232-N236 PolarHBondContact O-N 3.3Å; K232-N236 VanDerWaalsContact O-N 3.13Å
233L90.6Very high75.9Confident118 Ų118106.8 Ų106.862%0.61861%0.612SS**Hα-helixtrans-66.3-39.1176.7-67.9174.5000111.6E229 M230 A231 N236 G237E229-L233 PolarHBondContact O-N 3.17Å; M230-L233 PolarHBondContact O-N 3.05Å; M230-L233 HydrophobicContact SD-CD1 4.19Å; A231-L233 VanDerWaalsContact C-N 3.34Å; A231-L233 PolarHBondContact O-N 2.91Å; L233-N236 PolarHBondContact O-N 3.2Å; L233-G237 PolarHBondContact O-N 3.49Å
234H84.5Confident73.1Confident145 Ų145109.5 Ų109.567%0.67163%0.626SS**Hα-helixtrans-70.5-29.5177.5-69-54.1000113.4M230 A231 K232M230-H234 PolarHBondContact O-CD2 3.01Å; M230-H234 PolarHBondContact O-N 3.13Å; A231-H234 PolarHBondContact O-N 3.28Å; K232-H234 VanDerWaalsContact C-N 3.35Å
235T79.7Confident70Confident98 Ų98108.4 Ų108.460%0.60164%0.639SS**Hα-helixtrans-76.3-34.317554.40000112.9A231 K232A231-T235 PolarHBondContact O-N 3.47Å; A231-T235 VanDerWaalsContact O-N 3.16Å; K232-T235 WeakPolarHBondContact CA-OG1 3.39Å; K232-T235 PolarHBondContact O-N 3.16Å; K232-T235 PolarHBondContact O-OG1 3.43Å
236N66.8Low67.1Low120 Ų120113.4 Ų113.464%0.64266%0.66SS**Hα-helixtrans-84.2-21.8-175.7-70.51.3000113.6K232 L233 G238K232-N236 PolarHBondContact O-N 3.3Å; K232-N236 VanDerWaalsContact O-N 3.13Å; L233-N236 PolarHBondContact O-N 3.2Å; N236-G238 VanDerWaalsContact C-N 3.27Å; N236-G238 PolarHBondContact O-N 3.37Å
237G58.3Low64.2Low69 Ų69115.8 Ų115.871%0.71168%0.684SS**THydrogen-bonded Turntrans-77.6-2.1177.700000115.7L233L233-G237 PolarHBondContact O-N 3.49Å
238G49.1Very low61.5Low67 Ų67117.7 Ų117.769%0.69170%0.698SS**THydrogen-bonded Turntrans-92-2.8-176.900000116.1N236N236-G238 VanDerWaalsContact C-N 3.27Å; N236-G238 PolarHBondContact O-N 3.37Å
239S48.1Very low58.5Low108 Ų108118.8 Ų118.876%0.75571%0.712SS**SBendtrans-118.27.9-170.9-73.10000116.4
240E44.4Very low55.6Low177 Ų177122.6 Ų122.683%0.82773%0.73SS**SBendtrans-109.210-177.6-71.9-170.315800116
241N40.3Very low52.8Low173 Ų173123.3 Ų123.393%0.92575%0.745SS**SBendtrans-127.651.2174.9-84.6-23.7000113.3
242A36.7Very low50.1Low93 Ų93125.8 Ų125.877%0.76977%0.765SS**  trans-143.350.7171.600000112.1
243V37.5Very low47.3Very low140 Ų140123.8 Ų123.885%0.84878%0.78SS**  trans-145.692.4162.3-171.40000108.5
244E37.9Very low44.8Very low203 Ų203123.1 Ų123.195%0.94979%0.791SS**  trans-163.195.3138.7-108.2177.9-155.500107.4
245G32.2Very low42.5Very low71 Ų71123.6 Ų123.673%0.73280%0.798SS**  trans-124.5122.6163.300000107.6
246E38Very low40.5Very low191 Ų191123.2 Ų123.289%0.89380%0.8SS**  trans-172.5106.3145.2-104.5174.6-173.900106.8
247A36.3Very low39.2Very low95 Ų95122.5 Ų122.579%0.78580%0.804SS**  85.7130.3103.200000111.3
248S38.6Very low38.2Very low103 Ų103128 Ų12872%0.7281%0.811SS**  cis-172.8145.432.548.80000111.5
249T33.5Very low37.6Very low128 Ų128129.8 Ų129.879%0.78582%0.82SS**  trans44.9121.4142.346.90000122
250E36Very low37.2Very low199 Ų199128 Ų12893%0.9382%0.819SS**  -167.5145.199.9-105-179.5-178.800112.3
251S34.6Very low36.8Very low114 Ų114128.3 Ų128.380%0.79782%0.82SS**  trans-98.7146.4-172.654.60000112.6
252A37.3Very low36.7Very low106 Ų106127.8 Ų127.888%0.87681%0.812SS**  150134.2124.100000112.2
253G34.2Very low37.2Very low82 Ų82128.9 Ų128.985%0.84581%0.809SS**  trans148.678.4164.500000113.8
254A36.9Very low37.7Very low104 Ų104127.4 Ų127.486%0.8680%0.802SS**  trans-70.8143.7166.100000110.9
255D36.6Very low37.8Very low154 Ų154123.5 Ų123.582%0.82479%0.791SS**  -169.1149.9116.7-152.1-3.3000111.7
256S37.9Very low38.7Very low90 Ų90125 Ų12563%0.62980%0.797SS**  trans-73.8151.9-178.6560000115.1
257S40Very low39.4Very low105 Ų105123.1 Ų123.173%0.73479%0.793SS**  151.7132.1121.357.10000114.2
258E35.8Very low40.2Very low185 Ų185129.8 Ų129.886%0.86482%0.816SS**  trans71.7117.7138.6-75.6-173.7149.900124.5
259A37.7Very low40.2Very low105 Ų105131.2 Ų131.287%0.86882%0.82SS**  84.9132.6123.600000120.1
260G38Very low40.6Very low71 Ų71131.3 Ų131.373%0.73282%0.822SS**  trans133.972155.200000116
261E37.1Very low40.8Very low183 Ų183127.6 Ų127.686%0.85582%0.816SS**  28.9121.8127.9-141.2169.3-16400119.5
262H37.9Very low41.2Very low162 Ų162128.4 Ų128.475%0.7582%0.817SS**  147.5116.3115.9-137.8-56.7000111.8
263V47.2Very low41.5Very low116 Ų116129.8 Ų129.870%0.70381%0.814SS**  trans-101147.2159.8-172.20000105.7V265V263-V265 HydrophobicContact CG1-CG2 4.46Å
264P47.4Very low41.9Very low108 Ų108132.9 Ų132.970%0.70181%0.812SS**  -150140.497.132.1-11.1000116.2
265V40.2Very low42.3Very low121 Ų121135 Ų13573%0.73381%0.808SS**  trans-4129.3136.1-173.20000116.6V263V263-V265 HydrophobicContact CG1-CG2 4.46Å
266A51.1Low42.7Very low103 Ų103133.5 Ų133.585%0.85181%0.807SS**  trans-135.5112.514600000109.7
267N52.4Low43.2Very low152 Ų152137.2 Ų137.281%0.81382%0.822SS**  trans-66.6141.8160.3-89.2-16000109.8
268N53Low43.4Very low235 Ų235140.1 Ų140.1100%1.25783%0.83SS**  -155.10125.8-142.824.4000110.4

Retrieved 268 of 268 residues in 339.9 ms (Link to these results)

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