A0A5K4EE28_SCHMA Loading...

Putative f-box and wd40 domain protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EE28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 362 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
1M28.5Very low33.1Very low249 Ų249150.2 Ų150.2100%1.22782%0.815SS**  0116.70-74.8168.2119.800107.7
2K26.1Very low34.8Very low205 Ų205144.8 Ų144.889%0.89179%0.786SS**  trans-66.1131.8168.2-76.6177.7174.2178.30107E4K2-E4 PolarHBondContact O-N 3.4Å; K2-E4 VanDerWaalsContact O-N 3.08Å
3S33Very low36.6Very low120 Ų120138.6 Ų138.684%0.83976%0.76SS**  trans-70.4102.3-179.955.20000109.5
4E31Very low38.3Very low175 Ų175136.4 Ų136.482%0.81875%0.746SS**  trans-73139.4159.3-71.7177.8166.600108.4K2K2-E4 PolarHBondContact O-N 3.4Å; K2-E4 VanDerWaalsContact O-N 3.08Å
5N31.5Very low40.1Very low150 Ų150131.9 Ų131.980%0.80273%0.725SS**  trans78.694.8177.3-55.8-19000116.1S7N5-S7 PolarHBondContact O-N 3.38Å
6G32.4Very low41.4Very low86 Ų86125.4 Ų125.489%0.88769%0.689SS**  trans-55.8117.4151.400000110.6
7S31.4Very low42.8Very low95 Ų95123.4 Ų123.466%0.66468%0.681SS**  trans-134.8102.5136.749.80000105.2N5 I9N5-S7 PolarHBondContact O-N 3.38Å; S7-I9 PolarHBondContact O-N 2.72Å
8K33.3Very low44.1Very low207 Ų207120 Ų12090%0.967%0.667SS**  trans-66.588.4161.6-74-179.8178.5178.60104.9P10K8-P10 WeakPolarHBondContact O-CD 3.39Å; K8-P10 VanDerWaalsContact O-N 3.09Å
9I37.2Very low45.1Very low143 Ų143116.2 Ų116.273%0.73364%0.644SS**  trans-56.3117.4163.1-60.6173.7000104.1S7 F11S7-I9 PolarHBondContact O-N 2.72Å; I9-F11 PolarHBondContact O-N 3.17Å; I9-F11 VanDerWaalsContact O-N 3.11Å
10P37.2Very low46.1Very low111 Ų111114 Ų11472%0.72163%0.631SS**  trans-58.8125.4-17322.8-30.7000107.6K8 N12K8-P10 WeakPolarHBondContact O-CD 3.39Å; K8-P10 VanDerWaalsContact O-N 3.09Å; P10-N12 PolarHBondContact O-N 2.75Å
11F43Very low47Very low111 Ų111112.1 Ų112.149%0.48763%0.626SS.*  trans-61.797.4179.8-157.9-88.9000107.4I9 S13 L16 Q48I9-F11 PolarHBondContact O-N 3.17Å; I9-F11 VanDerWaalsContact O-N 3.11Å; F11-S13 PolarHBondContact O-N 3.39Å; F11-S13 VanDerWaalsContact O-N 3.14Å; F11-L16 HydrophobicContact CE1-CD1 4.3Å; F11-L16 HydrophobicContact CZ-CD1 3.99Å; F11-Q48 VanDerWaalsContact CZ-NE2 3.32Å
12N53.6Low48.7Very low86 Ų86107.2 Ų107.246%0.4660%0.6SS.*  trans-8393.1175.8-157.1-4.4000107P10 D14 T15P10-N12 PolarHBondContact O-N 2.75Å; N12-D14 PolarHBondContact O-N 2.84Å; N12-D14 WeakPolarHBondContact OD1-CB 3.38Å; N12-T15 HydrophobicContact CB-CG2 4.28Å; N12-T15 PolarHBondContact O-N 3.46Å; N12-T15 VanDerWaalsContact O-N 3.11Å; N12-T15 PolarHBondContact O-OG1 3.07Å
13S57.4Low50.3Low64 Ų6499.1 Ų99.145%0.44857%0.566SS.*Hα-helixtrans-48.1-32.2174.345.10000111.7F11 T15 L16 V17F11-S13 PolarHBondContact O-N 3.39Å; F11-S13 VanDerWaalsContact O-N 3.14Å; S13-T15 PolarHBondContact O-N 3.17Å; S13-L16 PolarHBondContact O-N 3.37Å; S13-V17 WeakPolarHBondContact O-CB 3.25Å; S13-V17 VanDerWaalsContact O-CG2 3.26Å; S13-V17 WeakPolarHBondContact O-CG2 3.32Å; S13-V17 PolarHBondContact O-N 3.46Å
14D61.3Low51.6Low107 Ų107100.1 Ų100.157%0.57256%0.561SS**Hα-helixtrans-68.7-32.8-175.3-59.3-11.3000112.5N12 S18N12-D14 PolarHBondContact O-N 2.84Å; N12-D14 WeakPolarHBondContact OD1-CB 3.38Å; D14-S18 WeakPolarHBondContact O-CB 3.34Å; D14-S18 PolarHBondContact O-N 3.04Å; D14-S18 PolarHBondContact O-OG 3.19Å
15T64.6Low52.8Low70 Ų7096.1 Ų96.143%0.42956%0.559SS.*Hα-helixtrans-72.1-36.6175.751.60000111.5N12 S13 S18 M19N12-T15 HydrophobicContact CB-CG2 4.28Å; N12-T15 PolarHBondContact O-N 3.46Å; N12-T15 VanDerWaalsContact O-N 3.11Å; N12-T15 PolarHBondContact O-OG1 3.07Å; S13-T15 PolarHBondContact O-N 3.17Å; T15-S18 WeakPolarHBondContact CA-OG 3.28Å; T15-S18 PolarHBondContact O-OG 2.88Å; T15-M19 VanDerWaalsContact O-CB 3.26Å; T15-M19 WeakPolarHBondContact O-CB 3.26Å; T15-M19 VanDerWaalsContact O-CG 3.29Å; T15-M19 WeakPolarHBondContact O-CG 3.42Å; T15-M19 PolarHBondContact O-N 3Å
16L61.1Low54.4Low27 Ų2791.3 Ų91.314%0.14154%0.539CS..Hα-helixtrans-71.7-43.3177.4-130.5166000111.1F11 S13 M19 L20 L40 L44F11-L16 HydrophobicContact CE1-CD1 4.3Å; F11-L16 HydrophobicContact CZ-CD1 3.99Å; S13-L16 PolarHBondContact O-N 3.37Å; L16-M19 PolarHBondContact O-N 3.32Å; L16-L20 HydrophobicContact CD2-CD1 3.74Å; L16-L20 HydrophobicContact CD2-CG 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.33Å; L16-L20 PolarHBondContact O-N 2.88Å; L16-L40 HydrophobicContact CD2-CD2 3.6Å; L16-L40 HydrophobicContact CG-CD2 4.34Å; L16-L44 HydrophobicContact CD1-CD2 4.08Å
17V65.1Low56.1Low91 Ų9195.6 Ų95.655%0.55254%0.542SS*.Hα-helixtrans-66.4-43.3176.5171.90000111.4S13 L20 S21S13-V17 WeakPolarHBondContact O-CB 3.25Å; S13-V17 VanDerWaalsContact O-CG2 3.26Å; S13-V17 WeakPolarHBondContact O-CG2 3.32Å; S13-V17 PolarHBondContact O-N 3.46Å; V17-L20 PolarHBondContact O-N 3.48Å; V17-S21 VanDerWaalsContact O-CB 3.25Å; V17-S21 WeakPolarHBondContact O-CB 3.41Å; V17-S21 PolarHBondContact O-N 3.35Å; V17-S21 PolarHBondContact O-OG 2.68Å
18S67Low58.1Low63 Ų6393.2 Ų93.244%0.44152%0.522SS..Hα-helixtrans-64.9-41.9175.556.40000111.9D14 T15 L20 S21 H22D14-S18 WeakPolarHBondContact O-CB 3.34Å; D14-S18 PolarHBondContact O-N 3.04Å; D14-S18 PolarHBondContact O-OG 3.19Å; T15-S18 WeakPolarHBondContact CA-OG 3.28Å; T15-S18 PolarHBondContact O-OG 2.88Å; S18-L20 PolarHBondContact O-N 3.18Å; S18-S21 WeakPolarHBondContact CA-OG 3.17Å; S18-S21 PolarHBondContact O-OG 2.93Å; S18-H22 VanDerWaalsContact O-CB 3.28Å; S18-H22 WeakPolarHBondContact O-CB 3.48Å; S18-H22 PolarHBondContact O-N 2.73Å
19M61.8Low60.3Low47 Ų4789.8 Ų89.823%0.23251%0.507CS..Hα-helixtrans-60.4-44.2173.5-85.7-173.244.100112.2T15 L16 N23 L36 K39 L40T15-M19 VanDerWaalsContact O-CB 3.26Å; T15-M19 WeakPolarHBondContact O-CB 3.26Å; T15-M19 VanDerWaalsContact O-CG 3.29Å; T15-M19 WeakPolarHBondContact O-CG 3.42Å; T15-M19 PolarHBondContact O-N 3Å; L16-M19 PolarHBondContact O-N 3.32Å; M19-N23 WeakPolarHBondContact O-CB 3.32Å; M19-N23 PolarHBondContact O-N 2.98Å; M19-N23 PolarHBondContact O-ND2 2.83Å; M19-L36 HydrophobicContact CE-CD2 4.01Å; M19-K39 HydrophobicContact CE-CB 3.58Å; M19-K39 HydrophobicContact SD-CB 4.26Å; M19-L40 HydrophobicContact CE-CD2 3.99Å; M19-L40 HydrophobicContact CE-CG 4.06Å
20L65.3Low62Low73 Ų7388.1 Ų88.138%0.38251%0.505SS..Hα-helixtrans-71.9-47.2-179.1-73.7174000111.6L16 V17 S18 H22 N23 L24L16-L20 HydrophobicContact CD2-CD1 3.74Å; L16-L20 HydrophobicContact CD2-CG 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.33Å; L16-L20 PolarHBondContact O-N 2.88Å; V17-L20 PolarHBondContact O-N 3.48Å; S18-L20 PolarHBondContact O-N 3.18Å; L20-H22 PolarHBondContact O-N 3.47Å; L20-N23 PolarHBondContact O-N 3.02Å; L20-L24 HydrophobicContact CB-CD1 4.06Å; L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CD1 3.35Å; L20-L24 PolarHBondContact O-N 3.11Å
21S65.6Low63.8Low74 Ų7488.4 Ų88.452%0.51750%0.497SS..Hα-helixtrans-61.8-42.8-178.655.20000113.1V17 S18 N23V17-S21 VanDerWaalsContact O-CB 3.25Å; V17-S21 WeakPolarHBondContact O-CB 3.41Å; V17-S21 PolarHBondContact O-N 3.35Å; V17-S21 PolarHBondContact O-OG 2.68Å; S18-S21 WeakPolarHBondContact CA-OG 3.17Å; S18-S21 PolarHBondContact O-OG 2.93Å; S21-N23 VanDerWaalsContact C-N 3.27Å; S21-N23 PolarHBondContact O-N 2.88Å
22H63.8Low65.4Low146 Ų14686.8 Ų86.868%0.67649%0.491SS*.Hα-helixtrans-65.8-31.5177.7-174.9-83000112.4S18 L20S18-H22 VanDerWaalsContact O-CB 3.28Å; S18-H22 WeakPolarHBondContact O-CB 3.48Å; S18-H22 PolarHBondContact O-N 2.73Å; L20-H22 PolarHBondContact O-N 3.47Å
23N59.6Low66.5Low36 Ų3685.4 Ų85.419%0.19349%0.485CS..Hα-helixtrans-99.2-30.4-170.9-72.5-64.2000114.2M19 L20 S21 A25 A26 L28 L36M19-N23 WeakPolarHBondContact O-CB 3.32Å; M19-N23 PolarHBondContact O-N 2.98Å; M19-N23 PolarHBondContact O-ND2 2.83Å; L20-N23 PolarHBondContact O-N 3.02Å; S21-N23 VanDerWaalsContact C-N 3.27Å; S21-N23 PolarHBondContact O-N 2.88Å; N23-A25 PolarHBondContact O-N 3.49Å; N23-A26 PolarHBondContact O-N 3.15Å; N23-A26 VanDerWaalsContact O-N 3.17Å; N23-L28 HydrophobicContact CB-CD1 4.09Å; N23-L28 HydrophobicContact CB-CD2 4.28Å; N23-L28 WeakPolarHBondContact O-CD1 3.42Å; N23-L36 HydrophobicContact CB-CD1 3.49Å; N23-L36 VanDerWaalsContact CB-CD1 3.49Å; N23-L36 HydrophobicContact CB-CD2 4Å; N23-L36 HydrophobicContact CB-CG 4.35Å; N23-L36 VanDerWaalsContact ND2-CD2 3.26Å; N23-L36 WeakPolarHBondContact ND2-CD2 3.29Å
24L60Low67.4Low140 Ų14087.1 Ų87.173%0.73349%0.489SS*.Hα-helixtrans-65.4-26.1173.5-89.3147.4000112.7L20 A26L20-L24 HydrophobicContact CB-CD1 4.06Å; L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CD1 3.35Å; L20-L24 PolarHBondContact O-N 3.11Å; L24-A26 PolarHBondContact O-N 3.22Å
25A57.6Low68.2Low92 Ų9287.4 Ų87.476%0.7649%0.487SS*.THydrogen-bonded Turntrans-72.3-14.1175.500000113.4N23N23-A25 PolarHBondContact O-N 3.49Å
26A64.2Low68.9Low48 Ų4885.1 Ų85.140%0.39747%0.472SS..SBendtrans-106.4136.1-176.600000111N23 L24 L28N23-A26 PolarHBondContact O-N 3.15Å; N23-A26 VanDerWaalsContact O-N 3.17Å; L24-A26 PolarHBondContact O-N 3.22Å; A26-L28 HydrophobicContact CB-CD2 4.42Å; A26-L28 HydrophobicContact CB-CG 4.36Å; A26-L28 PolarHBondContact O-N 2.91Å
27N68.1Low69.8Low176 Ų17687.6 Ų87.694%0.94148%0.484SS*.  trans-64.479.5159.9-93.6-30000108.5K29N27-K29 PolarHBondContact O-N 3.33Å
28L74.3Confident70.5Confident46 Ų4689.7 Ų89.724%0.24149%0.486CS..  trans-61.9131.5-175.6-70.2156.6000109.9N23 A26 Q32 V33 L36N23-L28 HydrophobicContact CB-CD1 4.09Å; N23-L28 HydrophobicContact CB-CD2 4.28Å; N23-L28 WeakPolarHBondContact O-CD1 3.42Å; A26-L28 HydrophobicContact CB-CD2 4.42Å; A26-L28 HydrophobicContact CB-CG 4.36Å; A26-L28 PolarHBondContact O-N 2.91Å; L28-Q32 HydrophobicContact CB-CB 4.31Å; L28-Q32 HydrophobicContact CD2-CB 3.73Å; L28-V33 HydrophobicContact CB-CG2 3.63Å; L28-V33 HydrophobicContact CD1-CG2 4.29Å; L28-L36 HydrophobicContact CD1-CD1 3.47Å; L28-L36 VanDerWaalsContact CD1-CD1 3.47Å; L28-L36 HydrophobicContact CD2-CD1 3.77Å; L28-L36 HydrophobicContact CG-CD1 4.26Å
29K78.6Confident71.1Confident134 Ų13492.1 Ų92.158%0.58349%0.489SS*.  trans-67153.1169.4-68.1178.6178.8177.70109.4N27 H31 Q32 V33N27-K29 PolarHBondContact O-N 3.33Å; K29-H31 WeakPolarHBondContact CB-CE1 3.43Å; K29-H31 PolarHBondContact O-N 2.9Å; K29-Q32 HydrophobicContact CB-CG 4.39Å; K29-Q32 WeakPolarHBondContact O-CB 3.49Å; K29-Q32 PolarHBondContact O-N 2.99Å; K29-V33 PolarHBondContact O-N 3.49Å
30P72.1Confident71.9Confident109 Ų10991 Ų9171%0.70848%0.484SS*.Hα-helixtrans-52.1-36.2-176-28.533.8000114.8V33 L34P30-V33 PolarHBondContact O-N 3.03Å; P30-L34 PolarHBondContact O-N 3.43Å; P30-L34 VanDerWaalsContact O-N 3.15Å
31H75.6Confident72.6Confident117 Ų11790 Ų9054%0.54248%0.483SS..Hα-helixtrans-68.6-34.7177.665.8-88.8000113K29 L34 E35K29-H31 WeakPolarHBondContact CB-CE1 3.43Å; K29-H31 PolarHBondContact O-N 2.9Å; H31-L34 PolarHBondContact O-N 2.89Å; H31-E35 PolarHBondContact O-N 3.23Å
32Q76.3Confident73.3Confident76 Ų7692.5 Ų92.536%0.35550%0.495SS..Hα-helixtrans-71.1-38.1178-59.5176.9-45.700110.7L28 K29 L34 E35 L36L28-Q32 HydrophobicContact CB-CB 4.31Å; L28-Q32 HydrophobicContact CD2-CB 3.73Å; K29-Q32 HydrophobicContact CB-CG 4.39Å; K29-Q32 WeakPolarHBondContact O-CB 3.49Å; K29-Q32 PolarHBondContact O-N 2.99Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.45Å; Q32-E35 PolarHBondContact O-N 2.88Å; Q32-L36 WeakPolarHBondContact O-CB 3.47Å; Q32-L36 PolarHBondContact O-N 3.35Å
33V77.8Confident74.1Confident58 Ų5888.2 Ų88.235%0.35248%0.481SS..Hα-helixtrans-58.2-44.1171.4179.90000110.4L28 K29 P30 L36 I37L28-V33 HydrophobicContact CB-CG2 3.63Å; L28-V33 HydrophobicContact CD1-CG2 4.29Å; K29-V33 PolarHBondContact O-N 3.49Å; P30-V33 PolarHBondContact O-N 3.03Å; V33-L36 WeakPolarHBondContact O-CB 3.26Å; V33-L36 PolarHBondContact O-N 3.24Å; V33-I37 HydrophobicContact CG1-CD1 3.89Å; V33-I37 HydrophobicContact CG1-CG1 4.47Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.37Å; V33-I37 PolarHBondContact O-N 3.27Å
34L75.3Confident75.1Confident100 Ų10087.8 Ų87.852%0.52448%0.478SS..Hα-helixtrans-66.4-39.9179.9-132.6156.2000112.2P30 H31 Q32 I37 K38P30-L34 PolarHBondContact O-N 3.43Å; P30-L34 VanDerWaalsContact O-N 3.15Å; H31-L34 PolarHBondContact O-N 2.89Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.14Å; L34-K38 WeakPolarHBondContact O-CG 3.3Å; L34-K38 PolarHBondContact O-N 2.86Å
35E78.3Confident76.2Confident113 Ų11384.5 Ų84.553%0.52846%0.464SS..Hα-helixtrans-61.7-42.5170.4-89.3-146.4155.900112.6H31 Q32 K38 K39H31-E35 PolarHBondContact O-N 3.23Å; Q32-E35 PolarHBondContact O-N 2.88Å; E35-K38 WeakPolarHBondContact O-CB 3.43Å; E35-K38 PolarHBondContact O-N 2.83Å; E35-K39 WeakPolarHBondContact O-CG 3.39Å; E35-K39 PolarHBondContact O-N 3.46Å; E35-K39 IonicContact OE2-NZ 3.66Å
36L80.2Confident77.2Confident22 Ų2282.8 Ų82.812%0.11546%0.455CS..Hα-helixtrans-61.7-46.4177.2-85.7158.7000111.6M19 N23 L28 Q32 V33 K38 K39 L40M19-L36 HydrophobicContact CE-CD2 4.01Å; N23-L36 HydrophobicContact CB-CD1 3.49Å; N23-L36 VanDerWaalsContact CB-CD1 3.49Å; N23-L36 HydrophobicContact CB-CD2 4Å; N23-L36 HydrophobicContact CB-CG 4.35Å; N23-L36 VanDerWaalsContact ND2-CD2 3.26Å; N23-L36 WeakPolarHBondContact ND2-CD2 3.29Å; L28-L36 HydrophobicContact CD1-CD1 3.47Å; L28-L36 VanDerWaalsContact CD1-CD1 3.47Å; L28-L36 HydrophobicContact CD2-CD1 3.77Å; L28-L36 HydrophobicContact CG-CD1 4.26Å; Q32-L36 WeakPolarHBondContact O-CB 3.47Å; Q32-L36 PolarHBondContact O-N 3.35Å; V33-L36 WeakPolarHBondContact O-CB 3.26Å; V33-L36 PolarHBondContact O-N 3.24Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.19Å; L36-K39 PolarHBondContact O-N 3.39Å; L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.01Å
37I79.8Confident77.9Confident78 Ų7886.8 Ų86.840%0.447%0.466SS..Hα-helixtrans-60.1-40.3175.7-67.2167.1000110.5V33 L34 L40 S41V33-I37 HydrophobicContact CG1-CD1 3.89Å; V33-I37 HydrophobicContact CG1-CG1 4.47Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.37Å; V33-I37 PolarHBondContact O-N 3.27Å; L34-I37 PolarHBondContact O-N 3.14Å; I37-L40 PolarHBondContact O-N 3.45Å; I37-S41 WeakPolarHBondContact O-CB 3.28Å; I37-S41 PolarHBondContact O-N 2.83Å
38K79Confident78.5Confident135 Ų13581.4 Ų81.459%0.58744%0.435SS*.Hα-helixtrans-63-44.1174.6-76.5177.5179.5-1790112.4L34 E35 L36 S41 V42L34-K38 WeakPolarHBondContact O-CG 3.3Å; L34-K38 PolarHBondContact O-N 2.86Å; E35-K38 WeakPolarHBondContact O-CB 3.43Å; E35-K38 PolarHBondContact O-N 2.83Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.19Å; K38-S41 PolarHBondContact O-N 3.31Å; K38-S41 PolarHBondContact O-OG 3.38Å; K38-V42 PolarHBondContact O-N 3.29Å
39K80Confident78.7Confident114 Ų11483.3 Ų83.350%0.49644%0.442SS..Hα-helixtrans-65-43.1177.1-71.4174.9-177.7168.90111.3M19 E35 L36 V42 S43M19-K39 HydrophobicContact CE-CB 3.58Å; M19-K39 HydrophobicContact SD-CB 4.26Å; E35-K39 WeakPolarHBondContact O-CG 3.39Å; E35-K39 PolarHBondContact O-N 3.46Å; E35-K39 IonicContact OE2-NZ 3.66Å; L36-K39 PolarHBondContact O-N 3.39Å; K39-V42 PolarHBondContact O-N 2.97Å; K39-S43 PolarHBondContact O-N 3.21Å
40L78.9Confident78.6Confident25 Ų2580.4 Ų80.413%0.13144%0.435CS..Hα-helixtrans-62.3-42.1174.8-71.5172000111.6L16 M19 L36 I37 V42 S43 L44L16-L40 HydrophobicContact CD2-CD2 3.6Å; L16-L40 HydrophobicContact CG-CD2 4.34Å; M19-L40 HydrophobicContact CE-CD2 3.99Å; M19-L40 HydrophobicContact CE-CG 4.06Å; L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.01Å; I37-L40 PolarHBondContact O-N 3.45Å; L40-V42 PolarHBondContact O-N 3.11Å; L40-S43 PolarHBondContact O-N 2.86Å; L40-S43 VanDerWaalsContact O-N 3.09Å; L40-L44 HydrophobicContact CB-CD1 4.34Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.04Å
41S78.6Confident78.9Confident51 Ų5178.6 Ų78.636%0.35742%0.419SS..Hα-helixtrans-66.3-25.2-179.279.50000113.3I37 K38 K49I37-S41 WeakPolarHBondContact O-CB 3.28Å; I37-S41 PolarHBondContact O-N 2.83Å; K38-S41 PolarHBondContact O-N 3.31Å; K38-S41 PolarHBondContact O-OG 3.38Å; S41-K49 WeakPolarHBondContact O-CE 2.77Å; S41-K49 PolarHBondContact O-NZ 3.46Å
42V80.8Confident79Confident127 Ų12776 Ų7677%0.7741%0.409SS*.Hα-helixtrans-77.9-35.5172.1177.40000111.3K38 K39 L40K38-V42 PolarHBondContact O-N 3.29Å; K39-V42 PolarHBondContact O-N 2.97Å; L40-V42 PolarHBondContact O-N 3.11Å
43S81.6Confident79.1Confident56 Ų5677.2 Ų77.239%0.39242%0.418SS..Hα-helixtrans-78.1-26.9-177.7178.10000114.7K39 L40K39-S43 PolarHBondContact O-N 3.21Å; L40-S43 PolarHBondContact O-N 2.86Å; L40-S43 VanDerWaalsContact O-N 3.09Å
44L80.3Confident79Confident26 Ų2680.9 Ų80.914%0.13643%0.431CS..SBendtrans-85.7144.6-171.7-67.5172.1000112.7L16 L40 Q48 K49 L52L16-L44 HydrophobicContact CD1-CD2 4.08Å; L40-L44 HydrophobicContact CB-CD1 4.34Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.04Å; L44-Q48 HydrophobicContact CB-CB 4.03Å; L44-Q48 HydrophobicContact CD2-CB 3.95Å; L44-Q48 HydrophobicContact CG-CB 4.42Å; L44-K49 HydrophobicContact CB-CG 4.05Å; L44-K49 VanDerWaalsContact O-CE 3.22Å; L44-K49 WeakPolarHBondContact O-CE 3.27Å; L44-L52 HydrophobicContact CD1-CD2 3.72Å
45T82.4Confident78.9Confident72 Ų7282.4 Ų82.444%0.44244%0.435SS..  trans-68.7163.8170.2620000111.7Q47 Q48 K49T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.85Å; T45-Q48 PolarHBondContact O-N 3.09Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.27Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.27Å; T45-Q48 PolarHBondContact OG1-N 2.87Å; T45-Q48 PolarHBondContact OG1-OE1 2.98Å; T45-K49 WeakPolarHBondContact O-CG 3.22Å; T45-K49 PolarHBondContact O-N 2.82Å
46G79.5Confident78.6Confident55 Ų5580.3 Ų80.357%0.56743%0.427SS*.Hα-helixtrans-54.2-43.6179.500000114.1K49 T50G46-K49 WeakPolarHBondContact O-CB 3.19Å; G46-K49 PolarHBondContact O-N 3.05Å; G46-T50 PolarHBondContact O-N 3.31Å; G46-T50 PolarHBondContact O-OG1 2.73Å
47Q79.3Confident78.1Confident132 Ų13284 Ų8462%0.61745%0.446SS*.Hα-helixtrans-69.5-36.2177.9-170.165.426.800112.7T45 K49 T50 N51T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.85Å; Q47-K49 VanDerWaalsContact C-N 3.31Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.31Å; Q47-T50 PolarHBondContact O-N 2.89Å; Q47-T50 PolarHBondContact O-OG1 3.28Å; Q47-N51 PolarHBondContact NE2-OD1 3.5Å; Q47-N51 VanDerWaalsContact O-CG 3.28Å; Q47-N51 PolarHBondContact O-N 3.27Å; Q47-N51 PolarHBondContact O-OD1 2.97Å
48Q78.9Confident77.7Confident64 Ų6483.6 Ų83.630%0.29946%0.461SS..Hα-helixtrans-69.2-33.7176.3-72.1165.4-30.100111.4F11 L44 T45 N51 L52F11-Q48 VanDerWaalsContact CZ-NE2 3.32Å; L44-Q48 HydrophobicContact CB-CB 4.03Å; L44-Q48 HydrophobicContact CD2-CB 3.95Å; L44-Q48 HydrophobicContact CG-CB 4.42Å; T45-Q48 PolarHBondContact O-N 3.09Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.27Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.27Å; T45-Q48 PolarHBondContact OG1-N 2.87Å; T45-Q48 PolarHBondContact OG1-OE1 2.98Å; Q48-N51 PolarHBondContact O-N 3.37Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.41Å; Q48-L52 PolarHBondContact O-N 2.88Å
49K79.6Confident77.4Confident86 Ų8683.5 Ų83.537%0.37447%0.467SS..Hα-helixtrans-61.4-45.5172.3-71173178.8-177.90111.6S41 L44 T45 G46 Q47 L52 L53S41-K49 WeakPolarHBondContact O-CE 2.77Å; S41-K49 PolarHBondContact O-NZ 3.46Å; L44-K49 HydrophobicContact CB-CG 4.05Å; L44-K49 VanDerWaalsContact O-CE 3.22Å; L44-K49 WeakPolarHBondContact O-CE 3.27Å; T45-K49 WeakPolarHBondContact O-CG 3.22Å; T45-K49 PolarHBondContact O-N 2.82Å; G46-K49 WeakPolarHBondContact O-CB 3.19Å; G46-K49 PolarHBondContact O-N 3.05Å; Q47-K49 VanDerWaalsContact C-N 3.31Å; K49-L52 PolarHBondContact O-N 2.96Å; K49-L53 WeakPolarHBondContact O-CB 3.34Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.47Å; K49-L53 PolarHBondContact O-N 3.29Å
50T76Confident76.7Confident72 Ų7281.6 Ų81.644%0.44247%0.465SS..Hα-helixtrans-63.9-44.8177.646.90000111.4G46 Q47 L52 L53 E54G46-T50 PolarHBondContact O-N 3.31Å; G46-T50 PolarHBondContact O-OG1 2.73Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.31Å; Q47-T50 PolarHBondContact O-N 2.89Å; Q47-T50 PolarHBondContact O-OG1 3.28Å; T50-L52 PolarHBondContact O-N 3.1Å; T50-L53 PolarHBondContact O-N 3.23Å; T50-E54 WeakPolarHBondContact O-CB 3.38Å; T50-E54 PolarHBondContact O-N 3.29Å
51N78.1Confident75.9Confident71 Ų7186.5 Ų86.538%0.3850%0.498SS..Hα-helixtrans-64-40.8178.4-67.74.1000112.4Q47 Q48 E54 H55Q47-N51 PolarHBondContact NE2-OD1 3.5Å; Q47-N51 VanDerWaalsContact O-CG 3.28Å; Q47-N51 PolarHBondContact O-N 3.27Å; Q47-N51 PolarHBondContact O-OD1 2.97Å; Q48-N51 PolarHBondContact O-N 3.37Å; N51-E54 PolarHBondContact O-N 3.28Å; N51-H55 PolarHBondContact O-N 2.82Å; N51-H55 PolarHBondContact O-ND1 3.44Å
52L79Confident75.1Confident64 Ų6487.4 Ų87.434%0.33550%0.498SS..Hα-helixtrans-63.5-44.8176.1179.669.8000110.9L44 Q48 K49 T50 H55 L56L44-L52 HydrophobicContact CD1-CD2 3.72Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.41Å; Q48-L52 PolarHBondContact O-N 2.88Å; K49-L52 PolarHBondContact O-N 2.96Å; T50-L52 PolarHBondContact O-N 3.1Å; L52-H55 PolarHBondContact O-N 3.04Å; L52-L56 HydrophobicContact CD1-CD1 4.31Å; L52-L56 HydrophobicContact CD1-CG 4.44Å; L52-L56 HydrophobicContact CD2-CD1 4.44Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.27Å; L52-L56 PolarHBondContact O-N 3.24Å
53L78.3Confident74.4Confident101 Ų10183.2 Ų83.253%0.52948%0.481SS..Hα-helixtrans-62.4-44.3176.6-76.8166.8000111.5K49 T50 H55 L56 L57K49-L53 WeakPolarHBondContact O-CB 3.34Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.47Å; K49-L53 PolarHBondContact O-N 3.29Å; T50-L53 PolarHBondContact O-N 3.23Å; L53-H55 VanDerWaalsContact C-N 3.34Å; L53-H55 PolarHBondContact O-N 3.4Å; L53-L56 PolarHBondContact O-N 3.33Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.27Å
54E74.2Confident73.5Confident135 Ų13588 Ų8863%0.63150%0.496SS*.Hα-helixtrans-59.9-43.6177.6-169.2175.9-170.900111.7T50 N51 L57 G58T50-E54 WeakPolarHBondContact O-CB 3.38Å; T50-E54 PolarHBondContact O-N 3.29Å; N51-E54 PolarHBondContact O-N 3.28Å; E54-L57 PolarHBondContact O-N 3.41Å; E54-G58 PolarHBondContact O-N 2.97Å
55H73.9Confident72.6Confident132 Ų13294.2 Ų94.261%0.61152%0.523SS*.Hα-helixtrans-66.3-43.7175-80.168.8000112.5N51 L52 L53 L57 G58 L59N51-H55 PolarHBondContact O-N 2.82Å; N51-H55 PolarHBondContact O-ND1 3.44Å; L52-H55 PolarHBondContact O-N 3.04Å; L53-H55 VanDerWaalsContact C-N 3.34Å; L53-H55 PolarHBondContact O-N 3.4Å; H55-L57 VanDerWaalsContact C-N 3.32Å; H55-L57 PolarHBondContact O-N 3.41Å; H55-G58 PolarHBondContact O-N 2.8Å; H55-L59 VanDerWaalsContact O-CG 3.28Å; H55-L59 WeakPolarHBondContact O-CG 3.44Å; H55-L59 PolarHBondContact O-N 3.39Å
56L73.1Confident71.8Confident69 Ų6994.9 Ų94.936%0.36152%0.521SS..Hα-helixtrans-62.2-40.1177-75.4171.1000111.9L52 L53 L59 T60L52-L56 HydrophobicContact CD1-CD1 4.31Å; L52-L56 HydrophobicContact CD1-CG 4.44Å; L52-L56 HydrophobicContact CD2-CD1 4.44Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.27Å; L52-L56 PolarHBondContact O-N 3.24Å; L53-L56 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 3.03Å; L56-T60 PolarHBondContact O-N 3.44Å; L56-T60 PolarHBondContact O-OG1 2.99Å
57L69.7Low71.2Confident99 Ų9995.1 Ų95.152%0.51851%0.514SS..Hα-helixtrans-67-35.9175.1-70.6170.5000111.9L53 E54 H55 L59 T60 I62L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.27Å; E54-L57 PolarHBondContact O-N 3.41Å; H55-L57 VanDerWaalsContact C-N 3.32Å; H55-L57 PolarHBondContact O-N 3.41Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-T60 VanDerWaalsContact O-O 3.08Å; L57-I62 HydrophobicContact CD2-CD1 3.38Å; L57-I62 HydrophobicContact CD2-CG1 4.42Å
58G71Confident70.4Confident69 Ų6993.6 Ų93.671%0.71151%0.509SS*.Hα-helixtrans-66-33172.700000113.6E54 H55E54-G58 PolarHBondContact O-N 2.97Å; H55-G58 PolarHBondContact O-N 2.8Å
59L71.4Confident69.7Low134 Ų13497.7 Ų97.770%0.70252%0.522SS*.Hα-helixtrans-83.9-21.3-179.7-68.3170.4000113.6H55 L56 L57H55-L59 VanDerWaalsContact O-CG 3.28Å; H55-L59 WeakPolarHBondContact O-CG 3.44Å; H55-L59 PolarHBondContact O-N 3.39Å; L56-L59 PolarHBondContact O-N 3.03Å; L57-L59 VanDerWaalsContact C-N 3.33Å
60T66.9Low69.1Low74 Ų7497.2 Ų97.245%0.45452%0.523SS..SBendtrans-113.9102.5-177.755.20000109.9L56 L57 I62L56-T60 PolarHBondContact O-N 3.44Å; L56-T60 PolarHBondContact O-OG1 2.99Å; L57-T60 VanDerWaalsContact O-O 3.08Å; T60-I62 PolarHBondContact O-N 3.41Å
61P60.6Low68.5Low128 Ų12895.4 Ų95.483%0.83152%0.516SS*.  trans-63.9102.5167.625.4-30.8000108G63P61-G63 PolarHBondContact O-N 3.44Å
62I63.5Low67.8Low69 Ų6996.6 Ų96.635%0.35453%0.526SS..  trans-68103.5176.9-60.8178.4000107.5L57 T60 E66 S67 L70L57-I62 HydrophobicContact CD2-CD1 3.38Å; L57-I62 HydrophobicContact CD2-CG1 4.42Å; T60-I62 PolarHBondContact O-N 3.41Å; I62-E66 HydrophobicContact CG2-CB 3.93Å; I62-S67 WeakPolarHBondContact CG2-OG 3.17Å; I62-L70 HydrophobicContact CD1-CD1 4.26Å
63G64.4Low67Low40 Ų4099.3 Ų99.341%0.41254%0.536SS..  trans-66.5156.7167.100000111.2P61 F65 E66 S67P61-G63 PolarHBondContact O-N 3.44Å; G63-F65 PolarHBondContact O-N 3.28Å; G63-E66 PolarHBondContact O-N 2.76Å; G63-S67 PolarHBondContact O-N 3.5Å
64H63Low66.2Low155 Ų155100.5 Ų100.572%0.71854%0.542SS*.Hα-helixtrans-50.1-36.3-179.3-179.369.4000113.8S67 L68H64-S67 WeakPolarHBondContact O-CB 3.39Å; H64-S67 PolarHBondContact O-N 3.14Å; H64-L68 PolarHBondContact O-N 2.95Å
65F62Low65.5Low157 Ų15797 Ų9769%0.68953%0.526SS*.Hα-helixtrans-66.9-37.1179-168.4-98.9000113.1G63 S67 L68 R69G63-F65 PolarHBondContact O-N 3.28Å; F65-S67 VanDerWaalsContact C-N 3.34Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.89Å; F65-R69 PolarHBondContact O-N 2.96Å; F65-R69 VanDerWaalsContact O-N 3.1Å
66E65Low65Low87 Ų8795.3 Ų95.341%0.40753%0.529SS..Hα-helixtrans-71.9-31.3177.2-66.7-58.5159.900111.4I62 G63 L68 R69 L70I62-E66 HydrophobicContact CG2-CB 3.93Å; G63-E66 PolarHBondContact O-N 2.76Å; E66-L68 PolarHBondContact O-N 3.03Å; E66-R69 PolarHBondContact O-N 3.38Å; E66-L70 WeakPolarHBondContact O-CB 3.41Å; E66-L70 VanDerWaalsContact O-CG 3.31Å; E66-L70 WeakPolarHBondContact O-CG 3.31Å; E66-L70 PolarHBondContact O-N 2.84Å
67S66.7Low64.4Low59 Ų5996.7 Ų96.741%0.41355%0.545SS..Hα-helixtrans-61.5-41.8170.3-51.60000112.3I62 G63 H64 F65 R69 L70 A71I62-S67 WeakPolarHBondContact CG2-OG 3.17Å; G63-S67 PolarHBondContact O-N 3.5Å; H64-S67 WeakPolarHBondContact O-CB 3.39Å; H64-S67 PolarHBondContact O-N 3.14Å; F65-S67 VanDerWaalsContact C-N 3.34Å; S67-R69 VanDerWaalsContact C-N 3.34Å; S67-L70 PolarHBondContact O-N 3.46Å; S67-A71 PolarHBondContact O-N 3.49Å
68L62.4Low64.2Low100 Ų10094.7 Ų94.752%0.52454%0.538SS..Hα-helixtrans-62.1-40.8174.7-84.8151.4000111.8H64 F65 E66 A71H64-L68 PolarHBondContact O-N 2.95Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.89Å; E66-L68 PolarHBondContact O-N 3.03Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 3.3Å
69R65.9Low63.6Low151 Ų151100.3 Ų100.357%0.5755%0.546SS*.Hα-helixtrans-67.3-43.4177.4-166.8176.6-179.3179.11.7111.6F65 E66 S67 A71 T72F65-R69 PolarHBondContact O-N 2.96Å; F65-R69 VanDerWaalsContact O-N 3.1Å; E66-R69 PolarHBondContact O-N 3.38Å; S67-R69 VanDerWaalsContact C-N 3.34Å; R69-A71 VanDerWaalsContact C-N 3.3Å; R69-A71 PolarHBondContact O-N 3.47Å; R69-T72 PolarHBondContact O-N 3.46Å; R69-T72 PolarHBondContact O-OG1 2.89Å
70L65.8Low62.7Low75 Ų75104.9 Ų104.939%0.39355%0.554SS.*Hα-helixtrans-62.9-33.6176.3-75.4170000112.6I62 E66 S67 T72 H73 L74I62-L70 HydrophobicContact CD1-CD1 4.26Å; E66-L70 WeakPolarHBondContact O-CB 3.41Å; E66-L70 VanDerWaalsContact O-CG 3.31Å; E66-L70 WeakPolarHBondContact O-CG 3.31Å; E66-L70 PolarHBondContact O-N 2.84Å; S67-L70 PolarHBondContact O-N 3.46Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.2Å; L70-H73 PolarHBondContact O-N 3.36Å; L70-L74 HydrophobicContact CB-CD1 4.44Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 2.94Å
71A64.3Low61.9Low35 Ų35108.5 Ų108.529%0.28957%0.568SS.*Hα-helixtrans-54.4-44.6178.300000111.7S67 L68 R69 H73 L74 H75S67-A71 PolarHBondContact O-N 3.49Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 3.3Å; R69-A71 VanDerWaalsContact C-N 3.3Å; R69-A71 PolarHBondContact O-N 3.47Å; A71-H73 VanDerWaalsContact C-N 3.27Å; A71-H73 PolarHBondContact O-N 3.22Å; A71-L74 PolarHBondContact O-N 2.98Å; A71-H75 WeakPolarHBondContact O-CB 3.47Å; A71-H75 PolarHBondContact O-CD2 3.23Å; A71-H75 PolarHBondContact O-N 3.14Å
72T63.3Low61.7Low96 Ų96108.4 Ų108.459%0.58957%0.567SS**Hα-helixtrans-61.6-34.917965.60000112.9R69 L70 S76R69-T72 PolarHBondContact O-N 3.46Å; R69-T72 PolarHBondContact O-OG1 2.89Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.2Å; T72-S76 PolarHBondContact O-N 3.31Å
73H62.6Low61.2Low120 Ų120110.1 Ų110.156%0.55658%0.576SS**Hα-helixtrans-80-36.9177.4-68.3-57.3000113.3L70 A71 H75 S76L70-H73 PolarHBondContact O-N 3.36Å; A71-H73 VanDerWaalsContact C-N 3.27Å; A71-H73 PolarHBondContact O-N 3.22Å; H73-H75 PolarHBondContact O-N 3Å; H73-S76 PolarHBondContact O-N 3.3Å; H73-S76 PolarHBondContact O-OG 2.89Å
74L61.6Low61Low126 Ų126110.4 Ų110.466%0.6657%0.572SS**Hα-helixtrans-64.1-28.1173.9-70.3169.1000111.5L70 A71L70-L74 HydrophobicContact CB-CD1 4.44Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 2.94Å; A71-L74 PolarHBondContact O-N 2.98Å
75H59.2Low61.2Low62 Ų62107.9 Ų107.929%0.28757%0.571SS.*THydrogen-bonded Turntrans-91.5-1.4177.6-64-53.1000114.8A71 H73 S77 C78 C84A71-H75 WeakPolarHBondContact O-CB 3.47Å; A71-H75 PolarHBondContact O-CD2 3.23Å; A71-H75 PolarHBondContact O-N 3.14Å; H73-H75 PolarHBondContact O-N 3Å; H75-S77 PolarHBondContact O-N 3.04Å; H75-S77 VanDerWaalsContact O-N 3.14Å; H75-C78 VanDerWaalsContact O-CB 3.3Å; H75-C78 WeakPolarHBondContact O-CB 3.4Å; H75-C78 PolarHBondContact O-N 2.88Å; H75-C84 PolarHBondContact CE1-O 2.88Å; H75-C84 PolarHBondContact ND1-O 3.27Å
76S63.6Low61.9Low97 Ų97101.2 Ų101.268%0.67854%0.542SS*.THydrogen-bonded Turntrans-63.6-24.2-178.767.60000113.4T72 H73T72-S76 PolarHBondContact O-N 3.31Å; H73-S76 PolarHBondContact O-N 3.3Å; H73-S76 PolarHBondContact O-OG 2.89Å
77S60.4Low62.7Low98 Ų98100.7 Ų100.769%0.68554%0.538SS*.THydrogen-bonded Turntrans-90.6-0.3175.353.10000114.2H75 Q79H75-S77 PolarHBondContact O-N 3.04Å; H75-S77 VanDerWaalsContact O-N 3.14Å; S77-Q79 PolarHBondContact O-N 3.47Å
78C64.1Low63.6Low57 Ų5797.9 Ų97.939%0.38552%0.519SS..  trans-77.669.1178.7-65.90000110.7H75 R80 C84H75-C78 VanDerWaalsContact O-CB 3.3Å; H75-C78 WeakPolarHBondContact O-CB 3.4Å; H75-C78 PolarHBondContact O-N 2.88Å; C78-R80 VanDerWaalsContact C-N 3.32Å; C78-R80 PolarHBondContact O-N 3.08Å; C78-C84 HydrophobicContact CB-CB 3.61Å
79Q59.1Low64.5Low186 Ų18697.1 Ų97.187%0.86952%0.519SS*.  trans-79.74.8-168.1-125.8175.61600115.9S77S77-Q79 PolarHBondContact O-N 3.47Å
80R53Low65.2Low231 Ų231100 Ų10087%0.87253%0.53SS*.SBendtrans-161.319.1-175.6-136.3175.9175.4100.3-2.8118.9C78C78-R80 VanDerWaalsContact C-N 3.32Å; C78-R80 PolarHBondContact O-N 3.08Å
81M50.1Low66.1Low150 Ų15098.3 Ų98.374%0.73952%0.521SS*.  trans-128.5119.2174.2-74.8-78.1162.700109.2D83M81-D83 PolarHBondContact O-N 3.11Å
82P56.4Low67.3Low125 Ų125100.1 Ų100.181%0.81253%0.53SS*.THydrogen-bonded Turntrans-61.3-13.6179.915-22.3000114.4
83D52.4Low68.5Low105 Ų10597.2 Ų97.256%0.56152%0.515SS*.THydrogen-bonded Turntrans-109.532.8-174-59.5-32000114.1M81 C85 D86M81-D83 PolarHBondContact O-N 3.11Å; D83-C85 PolarHBondContact O-N 3.38Å; D83-D86 PolarHBondContact O-N 3.06Å; D83-D86 VanDerWaalsContact O-N 3.11Å
84C59.3Low69.9Low47 Ų4798 Ų9832%0.31852%0.519SS..THydrogen-bonded Turntrans-60.7-18.5-175.978.70000115H75 C78H75-C84 PolarHBondContact CE1-O 2.88Å; H75-C84 PolarHBondContact ND1-O 3.27Å; C78-C84 HydrophobicContact CB-CB 3.61Å
85C68.1Low71.3Confident102 Ų10296 Ų9669%0.68951%0.509SS*.THydrogen-bonded Turntrans-91-3.2-179.5-57.80000114D83 F87D83-C85 PolarHBondContact O-N 3.38Å; C85-F87 PolarHBondContact O-N 3.03Å
86D76.5Confident72.9Confident17 Ų1793 Ų939%0.09150%0.495CS..  trans-86.795.7-176.2-168.74000111.7D83 V88 T89 W90 N115 S117 W118D83-D86 PolarHBondContact O-N 3.06Å; D83-D86 VanDerWaalsContact O-N 3.11Å; D86-V88 PolarHBondContact O-N 3.29Å; D86-V88 VanDerWaalsContact O-N 3.1Å; D86-V88 WeakPolarHBondContact OD1-CB 3.41Å; D86-V88 PolarHBondContact OD1-N 3.47Å; D86-T89 HydrophobicContact CB-CG2 4.45Å; D86-T89 PolarHBondContact O-N 2.9Å; D86-T89 PolarHBondContact O-OG1 3.24Å; D86-W90 PolarHBondContact O-N 2.93Å; D86-N115 PolarHBondContact OD2-ND2 3.27Å; D86-S117 PolarHBondContact OD2-OG 3.1Å; D86-W118 PolarHBondContact OD1-NE1 2.97Å; D86-W118 PolarHBondContact OD2-NE1 2.9Å
87F82.5Confident74.2Confident75 Ų7589.9 Ų89.933%0.32947%0.47SS..Hα-helixtrans-59.7-23176.574-93.5000113.1C85 T89 W90 L91 I99 F100 W118C85-F87 PolarHBondContact O-N 3.03Å; F87-T89 VanDerWaalsContact C-N 3.33Å; F87-W90 PolarHBondContact O-N 3.05Å; F87-L91 HydrophobicContact CD2-CD1 3.85Å; F87-L91 WeakPolarHBondContact O-CB 3.35Å; F87-L91 WeakPolarHBondContact O-CG 3.47Å; F87-L91 PolarHBondContact O-N 3.41Å; F87-I99 HydrophobicContact CD2-CD1 4.37Å; F87-I99 HydrophobicContact CE2-CD1 4.17Å; F87-I99 HydrophobicContact CE2-CG2 4.33Å; F87-F100 HydrophobicContact CE2-CE2 4.11Å; F87-F100 HydrophobicContact CZ-CE2 4.09Å; F87-W118 HydrophobicContact CD1-CZ2 4.16Å; F87-W118 AromaticContact CE1-CH2 3.55Å; F87-W118 HydrophobicContact CE1-CH2 3.55Å; F87-W118 AromaticContact CE1-CZ2 3.37Å; F87-W118 HydrophobicContact CE1-CZ2 3.37Å; F87-W118 AromaticContact CZ-CH2 3.76Å; F87-W118 HydrophobicContact CZ-CH2 3.76Å; F87-W118 AromaticContact CZ-CZ2 3.8Å; F87-W118 HydrophobicContact CZ-CZ2 3.8Å
88V85.3Confident75.7Confident0 Ų092.6 Ų92.60%047%0.466CS..Hα-helixtrans-69.4-32.5-177.8174.90000111.6D86 T96 F100 W118 Y121D86-V88 PolarHBondContact O-N 3.29Å; D86-V88 VanDerWaalsContact O-N 3.1Å; D86-V88 WeakPolarHBondContact OD1-CB 3.41Å; D86-V88 PolarHBondContact OD1-N 3.47Å; V88-T96 HydrophobicContact CB-CG2 4.35Å; V88-T96 HydrophobicContact CG1-CG2 3.81Å; V88-T96 HydrophobicContact CG2-CG2 4.31Å; V88-F100 HydrophobicContact CG2-CE2 3.86Å; V88-F100 HydrophobicContact CG2-CZ 3.87Å; V88-W118 HydrophobicContact CG2-CD2 3.93Å; V88-W118 VanDerWaalsContact CG2-CE2 3.41Å; V88-W118 HydrophobicContact CG2-CG 4.15Å; V88-W118 HydrophobicContact CG2-CZ2 3.78Å; V88-W118 VanDerWaalsContact CG2-NE1 3.3Å; V88-Y121 HydrophobicContact CG1-CD2 3.24Å; V88-Y121 HydrophobicContact CG1-CE2 3.63Å; V88-Y121 HydrophobicContact CG1-CG 4.21Å
89T81.8Confident77.1Confident85 Ų8593.2 Ų93.252%0.52146%0.464SS..Hα-helixtrans-83.8-21.6175.757.60000112.2D86 F87D86-T89 HydrophobicContact CB-CG2 4.45Å; D86-T89 PolarHBondContact O-N 2.9Å; D86-T89 PolarHBondContact O-OG1 3.24Å; F87-T89 VanDerWaalsContact C-N 3.33Å
90W79.8Confident78.8Confident211 Ų21184.4 Ų84.480%0.79942%0.423SS*.Hα-helixtrans-88.1-40.2-178.4-171.457.4000114D86 F87D86-W90 PolarHBondContact O-N 2.93Å; F87-W90 PolarHBondContact O-N 3.05Å
91L85.5Confident80.7Confident40 Ų4075.6 Ų75.621%0.20940%0.397CS..SBendtrans-76.4146-178.8-69.6177.4000111.8F87 L95 T96 I99F87-L91 HydrophobicContact CD2-CD1 3.85Å; F87-L91 WeakPolarHBondContact O-CB 3.35Å; F87-L91 WeakPolarHBondContact O-CG 3.47Å; F87-L91 PolarHBondContact O-N 3.41Å; L91-L95 HydrophobicContact CB-CB 4.38Å; L91-L95 HydrophobicContact CD2-CD1 4.33Å; L91-T96 WeakPolarHBondContact CB-OG1 3.03Å; L91-I99 HydrophobicContact CD1-CD1 3.48Å; L91-I99 VanDerWaalsContact CD1-CD1 3.48Å
92P89.5Confident82.7Confident73 Ų7376.8 Ų76.847%0.47440%0.395SS..  trans-50.2144.6164.8-25.833.4000111.9E94 L95 T96P92-E94 WeakPolarHBondContact CB-OE2 3.49Å; P92-E94 PolarHBondContact O-N 2.84Å; P92-E94 VanDerWaalsContact O-N 3.11Å; P92-L95 HydrophobicContact CG-CD1 4.41Å; P92-L95 PolarHBondContact O-N 3.15Å; P92-T96 PolarHBondContact O-N 3.11Å; P92-T96 VanDerWaalsContact O-N 3.1Å; P92-T96 PolarHBondContact O-OG1 3.03Å
93A88.2Confident84.4Confident35 Ų3573.6 Ų73.629%0.28937%0.371SS..Hα-helixtrans-53.4-37.2-174.800000112.6T96 L97 Y121A93-T96 PolarHBondContact O-N 3Å; A93-L97 WeakPolarHBondContact O-CB 3.49Å; A93-L97 VanDerWaalsContact O-CG 3.29Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.15Å; A93-Y121 HydrophobicContact CB-CE1 3.84Å
94E91.6Very high86.3Confident137 Ų13771.2 Ų71.264%0.6436%0.362SS*.Hα-helixtrans-64.2-42.3-179.9-57.877.5-170.500111.8P92 R98P92-E94 WeakPolarHBondContact CB-OE2 3.49Å; P92-E94 PolarHBondContact O-N 2.84Å; P92-E94 VanDerWaalsContact O-N 3.11Å; E94-R98 VanDerWaalsContact O-CB 3.32Å; E94-R98 WeakPolarHBondContact O-CB 3.34Å; E94-R98 PolarHBondContact O-N 3.4Å
95L90.4Very high87.8Confident83 Ų8372.2 Ų72.244%0.43536%0.359SS..Hα-helixtrans-71.5-41.5178.9-64.1-173.2000110.8L91 P92 L97 R98 I99L91-L95 HydrophobicContact CB-CB 4.38Å; L91-L95 HydrophobicContact CD2-CD1 4.33Å; P92-L95 HydrophobicContact CG-CD1 4.41Å; P92-L95 PolarHBondContact O-N 3.15Å; L95-L97 PolarHBondContact O-N 3.43Å; L95-R98 PolarHBondContact O-N 2.73Å; L95-I99 WeakPolarHBondContact O-CG1 3.5Å; L95-I99 PolarHBondContact O-N 2.97Å
96T92.4Very high89Confident0 Ų073.7 Ų73.70%035%0.354CS..Hα-helixtrans-58.3-48.8174.1-62.10000111.1V88 L91 P92 A93 R98 I99 F100 Y121V88-T96 HydrophobicContact CB-CG2 4.35Å; V88-T96 HydrophobicContact CG1-CG2 3.81Å; V88-T96 HydrophobicContact CG2-CG2 4.31Å; L91-T96 WeakPolarHBondContact CB-OG1 3.03Å; P92-T96 PolarHBondContact O-N 3.11Å; P92-T96 VanDerWaalsContact O-N 3.1Å; P92-T96 PolarHBondContact O-OG1 3.03Å; A93-T96 PolarHBondContact O-N 3Å; T96-R98 VanDerWaalsContact C-N 3.31Å; T96-R98 PolarHBondContact O-N 2.94Å; T96-I99 PolarHBondContact O-N 3.35Å; T96-F100 HydrophobicContact CG2-CD2 4.16Å; T96-F100 HydrophobicContact CG2-CE2 4Å; T96-F100 WeakPolarHBondContact O-CB 3.48Å; T96-F100 WeakPolarHBondContact O-CD2 3.37Å; T96-F100 PolarHBondContact O-N 2.88Å; T96-Y121 HydrophobicContact CG2-CD1 3.78Å; T96-Y121 HydrophobicContact CG2-CD2 3.78Å; T96-Y121 HydrophobicContact CG2-CE1 4.2Å; T96-Y121 HydrophobicContact CG2-CE2 4.17Å; T96-Y121 HydrophobicContact CG2-CG 3.55Å
97L92.9Very high89.8Confident31 Ų3175.2 Ų75.216%0.16237%0.365CS..Hα-helixtrans-63.1-36.9176.8-72.8175.1000112.4A93 L95 F100 S101 Y121 H124A93-L97 WeakPolarHBondContact O-CB 3.49Å; A93-L97 VanDerWaalsContact O-CG 3.29Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.15Å; L95-L97 PolarHBondContact O-N 3.43Å; L97-F100 PolarHBondContact O-N 2.85Å; L97-S101 WeakPolarHBondContact O-CB 3.49Å; L97-S101 PolarHBondContact O-N 3.42Å; L97-Y121 HydrophobicContact CD2-CD1 3.97Å; L97-Y121 HydrophobicContact CG-CD1 4.09Å; L97-H124 HydrophobicContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CG 3.48Å
98R91.8Very high90.4Very high155 Ų15571.6 Ų71.659%0.58535%0.35SS*.Hα-helixtrans-66.8-39.4175.6-171.7173.1-177.5172.60.6112.4E94 L95 T96 F100 S101 Y102E94-R98 VanDerWaalsContact O-CB 3.32Å; E94-R98 WeakPolarHBondContact O-CB 3.34Å; E94-R98 PolarHBondContact O-N 3.4Å; L95-R98 PolarHBondContact O-N 2.73Å; T96-R98 VanDerWaalsContact C-N 3.31Å; T96-R98 PolarHBondContact O-N 2.94Å; R98-F100 VanDerWaalsContact C-N 3.33Å; R98-S101 PolarHBondContact O-N 3.26Å; R98-S101 PolarHBondContact O-OG 3.36Å; R98-Y102 HydrophobicContact CG-CE2 4.05Å; R98-Y102 WeakPolarHBondContact O-CD2 3.43Å; R98-Y102 WeakPolarHBondContact O-CE2 3.46Å
99I93.2Very high90.6Very high70 Ų7074.5 Ų74.536%0.35937%0.368SS..Hα-helixtrans-62.9-45.6173.3-68.7164.9000109.7F87 L91 L95 T96 S101 Y102F87-I99 HydrophobicContact CD2-CD1 4.37Å; F87-I99 HydrophobicContact CE2-CD1 4.17Å; F87-I99 HydrophobicContact CE2-CG2 4.33Å; L91-I99 HydrophobicContact CD1-CD1 3.48Å; L91-I99 VanDerWaalsContact CD1-CD1 3.48Å; L95-I99 WeakPolarHBondContact O-CG1 3.5Å; L95-I99 PolarHBondContact O-N 2.97Å; T96-I99 PolarHBondContact O-N 3.35Å; I99-S101 VanDerWaalsContact C-N 3.27Å; I99-S101 PolarHBondContact O-N 3.26Å; I99-Y102 PolarHBondContact O-N 3.42Å
100F94.5Very high91.2Very high0 Ų075 Ų750%037%0.37CS..Hα-helixtrans-67.4-27.2-178.5-81.8-130000112.6F87 V88 T96 L97 R98 Y102 L103 L108 C111 W118 A122 L127F87-F100 HydrophobicContact CE2-CE2 4.11Å; F87-F100 HydrophobicContact CZ-CE2 4.09Å; V88-F100 HydrophobicContact CG2-CE2 3.86Å; V88-F100 HydrophobicContact CG2-CZ 3.87Å; T96-F100 HydrophobicContact CG2-CD2 4.16Å; T96-F100 HydrophobicContact CG2-CE2 4Å; T96-F100 WeakPolarHBondContact O-CB 3.48Å; T96-F100 WeakPolarHBondContact O-CD2 3.37Å; T96-F100 PolarHBondContact O-N 2.88Å; L97-F100 PolarHBondContact O-N 2.85Å; R98-F100 VanDerWaalsContact C-N 3.33Å; F100-Y102 VanDerWaalsContact C-N 3.28Å; F100-Y102 PolarHBondContact O-N 3.4Å; F100-L103 HydrophobicContact CG-CD1 4.47Å; F100-L103 WeakPolarHBondContact O-CB 3.12Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.15Å; F100-L108 HydrophobicContact CB-CD2 3.91Å; F100-L108 HydrophobicContact CD1-CD2 3.54Å; F100-L108 HydrophobicContact CE1-CD2 4.42Å; F100-L108 HydrophobicContact CG-CD2 4.05Å; F100-C111 HydrophobicContact CE1-CB 4.28Å; F100-W118 HydrophobicContact CE1-CE3 4.35Å; F100-W118 HydrophobicContact CZ-CD2 4.14Å; F100-W118 AromaticContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CZ3 4.05Å; F100-A122 HydrophobicContact CD1-CB 4.17Å; F100-A122 HydrophobicContact CE1-CB 3.88Å; F100-L127 HydrophobicContact CB-CD1 3.91Å; F100-L127 HydrophobicContact CB-CD2 4.23Å
101S91.7Very high91.8Very high47 Ų4765.7 Ų65.733%0.32934%0.337SS..Hα-helixtrans-69.7-22.2177.276.10000113.9L97 R98 I99 L103L97-S101 WeakPolarHBondContact O-CB 3.49Å; L97-S101 PolarHBondContact O-N 3.42Å; R98-S101 PolarHBondContact O-N 3.26Å; R98-S101 PolarHBondContact O-OG 3.36Å; I99-S101 VanDerWaalsContact C-N 3.27Å; I99-S101 PolarHBondContact O-N 3.26Å; S101-L103 VanDerWaalsContact C-N 3.32Å
102Y92Very high92.1Very high175 Ų17564.2 Ų64.269%0.68633%0.33SS*.THydrogen-bonded Turntrans-78.7-14.3172.2-66.6-68.5000113.4R98 I99 F100R98-Y102 HydrophobicContact CG-CE2 4.05Å; R98-Y102 WeakPolarHBondContact O-CD2 3.43Å; R98-Y102 WeakPolarHBondContact O-CE2 3.46Å; I99-Y102 PolarHBondContact O-N 3.42Å; F100-Y102 VanDerWaalsContact C-N 3.28Å; F100-Y102 PolarHBondContact O-N 3.4Å
103L92.6Very high92.2Very high58 Ų5868.2 Ų68.230%0.30434%0.343SS..SBendtrans-80.6149.6-179.2-62.9173.4000111.4F100 S101 L108 F131F100-L103 HydrophobicContact CG-CD1 4.47Å; F100-L103 WeakPolarHBondContact O-CB 3.12Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.15Å; S101-L103 VanDerWaalsContact C-N 3.32Å; L103-L108 HydrophobicContact CB-CD2 4.13Å; L103-L108 HydrophobicContact CB-CG 4.09Å; L103-L108 HydrophobicContact CD1-CD2 4.07Å; L103-F131 WeakPolarHBondContact O-CZ 3.2Å
104S92.1Very high92.3Very high54 Ų5470.8 Ų70.838%0.37835%0.354SS..  trans-67.3151.9169.3830000110.4K106 S107 L108S104-K106 PolarHBondContact O-N 3.1Å; S104-K106 VanDerWaalsContact O-N 3.11Å; S104-K106 PolarHBondContact OG-N 2.92Å; S104-S107 WeakPolarHBondContact O-CA 3.45Å; S104-S107 WeakPolarHBondContact O-CB 3.46Å; S104-S107 PolarHBondContact O-N 3.5Å; S104-S107 PolarHBondContact OG-N 3.11Å; S104-S107 VanDerWaalsContact OG-N 3.11Å; S104-S107 PolarHBondContact OG-OG 2.65Å; S104-L108 PolarHBondContact O-N 3.22Å
105W91.3Very high92Very high68 Ų6866.8 Ų66.826%0.25834%0.338SS..Hα-helixtrans-58-27.5174.667-93.5000113.5L108 T109 F131 W137 F185 V189W105-L108 PolarHBondContact O-N 3.43Å; W105-T109 PolarHBondContact O-N 2.96Å; W105-T109 PolarHBondContact O-OG1 3.36Å; W105-F131 HydrophobicContact CB-CD2 4.38Å; W105-F131 HydrophobicContact CB-CE1 4.43Å; W105-F131 HydrophobicContact CB-CE2 4Å; W105-F131 HydrophobicContact CB-CZ 4.03Å; W105-W137 AromaticContact NE1-CZ2 3.58Å; W105-F185 HydrophobicContact CB-CE1 3.55Å; W105-F185 HydrophobicContact CB-CZ 3.77Å; W105-F185 AromaticContact CD1-CZ 3.68Å; W105-F185 AromaticContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CZ 4.16Å; W105-F185 HydrophobicContact CE3-CE1 4.39Å; W105-F185 AromaticContact CG-CE1 3.63Å; W105-F185 HydrophobicContact CG-CE1 3.63Å; W105-F185 AromaticContact CG-CZ 3.58Å; W105-F185 HydrophobicContact CG-CZ 3.58Å; W105-V189 HydrophobicContact CH2-CG1 3.62Å; W105-V189 HydrophobicContact CZ2-CG1 4.06Å; W105-V189 HydrophobicContact CZ3-CG1 3.98Å
106K93Very high91.9Very high134 Ų13471.7 Ų71.758%0.58336%0.356SS*.Hα-helixtrans-69.3-41173.8-64-179.7-177.1176.90111.5S104 L108 T109 V110S104-K106 PolarHBondContact O-N 3.1Å; S104-K106 VanDerWaalsContact O-N 3.11Å; S104-K106 PolarHBondContact OG-N 2.92Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-T109 WeakPolarHBondContact CA-OG1 3.28Å; K106-T109 PolarHBondContact O-N 3.11Å; K106-T109 PolarHBondContact O-OG1 3.05Å; K106-V110 PolarHBondContact O-N 2.91Å
107S94Very high91.7Very high48 Ų4873 Ų7334%0.33637%0.365SS..Hα-helixtrans-64-44.2174.3-52.50000109.7S104 T109 V110 C111S104-S107 WeakPolarHBondContact O-CA 3.45Å; S104-S107 WeakPolarHBondContact O-CB 3.46Å; S104-S107 PolarHBondContact O-N 3.5Å; S104-S107 PolarHBondContact OG-N 3.11Å; S104-S107 VanDerWaalsContact OG-N 3.11Å; S104-S107 PolarHBondContact OG-OG 2.65Å; S107-T109 VanDerWaalsContact C-N 3.28Å; S107-T109 PolarHBondContact O-N 3.34Å; S107-V110 WeakPolarHBondContact O-CB 3.28Å; S107-V110 PolarHBondContact O-N 3.49Å; S107-C111 PolarHBondContact O-N 3.29Å; S107-C111 PolarHBondContact O-SG 3.4Å
108L94Very high91.7Very high0 Ų073.6 Ų73.60%037%0.365CS..Hα-helixtrans-59.8-34.9176.1-69.7172.5000113.4F100 L103 S104 W105 K106 C111 S112 A122 L127 F131F100-L108 HydrophobicContact CB-CD2 3.91Å; F100-L108 HydrophobicContact CD1-CD2 3.54Å; F100-L108 HydrophobicContact CE1-CD2 4.42Å; F100-L108 HydrophobicContact CG-CD2 4.05Å; L103-L108 HydrophobicContact CB-CD2 4.13Å; L103-L108 HydrophobicContact CB-CG 4.09Å; L103-L108 HydrophobicContact CD1-CD2 4.07Å; S104-L108 PolarHBondContact O-N 3.22Å; W105-L108 PolarHBondContact O-N 3.43Å; K106-L108 VanDerWaalsContact C-N 3.34Å; L108-C111 WeakPolarHBondContact O-CB 3.48Å; L108-C111 PolarHBondContact O-N 2.91Å; L108-S112 WeakPolarHBondContact O-CB 3.08Å; L108-S112 PolarHBondContact O-N 3.46Å; L108-A122 HydrophobicContact CD2-CB 4.49Å; L108-L127 HydrophobicContact CD1-CD1 4.12Å; L108-L127 HydrophobicContact CD2-CD1 4.14Å; L108-F131 HydrophobicContact CD1-CE2 3.53Å; L108-F131 HydrophobicContact CD1-CZ 3.82Å
109T91.2Very high91.8Very high61 Ų6169.1 Ų69.137%0.37435%0.352SS..Hα-helixtrans-63.4-41.8173.645.70000112.1W105 K106 S107 S112W105-T109 PolarHBondContact O-N 2.96Å; W105-T109 PolarHBondContact O-OG1 3.36Å; K106-T109 WeakPolarHBondContact CA-OG1 3.28Å; K106-T109 PolarHBondContact O-N 3.11Å; K106-T109 PolarHBondContact O-OG1 3.05Å; S107-T109 VanDerWaalsContact C-N 3.28Å; S107-T109 PolarHBondContact O-N 3.34Å; T109-S112 PolarHBondContact O-N 3.24Å; T109-S112 PolarHBondContact O-OG 3.13Å
110V93.5Very high91.7Very high94 Ų9472.6 Ų72.657%0.5737%0.365SS*.Hα-helixtrans-67.3-43.5175.2178.60000110.8K106 S107 S112 E113K106-V110 PolarHBondContact O-N 2.91Å; S107-V110 WeakPolarHBondContact O-CB 3.28Å; S107-V110 PolarHBondContact O-N 3.49Å; V110-S112 PolarHBondContact O-N 3.28Å; V110-E113 WeakPolarHBondContact O-CB 3.24Å; V110-E113 PolarHBondContact O-N 3.04Å
111C92.3Very high91.6Very high16 Ų1674.3 Ų74.311%0.10837%0.371CS..Hα-helixtrans-54.8-38.9173.7-660000111.6F100 S107 L108 E113 V114 W118 A122F100-C111 HydrophobicContact CE1-CB 4.28Å; S107-C111 PolarHBondContact O-N 3.29Å; S107-C111 PolarHBondContact O-SG 3.4Å; L108-C111 WeakPolarHBondContact O-CB 3.48Å; L108-C111 PolarHBondContact O-N 2.91Å; C111-E113 PolarHBondContact O-N 2.78Å; C111-E113 VanDerWaalsContact O-N 3.13Å; C111-V114 WeakPolarHBondContact O-CG2 3.32Å; C111-V114 PolarHBondContact O-N 3.35Å; C111-W118 HydrophobicContact CB-CE3 3.65Å; C111-W118 HydrophobicContact CB-CZ3 3.93Å; C111-W118 VanDerWaalsContact O-CB 3.28Å; C111-W118 WeakPolarHBondContact O-CB 3.35Å; C111-A122 HydrophobicContact CB-CB 4.19Å
112S92.5Very high91.7Very high10 Ų1072.1 Ų72.17%0.0736%0.356CS..THydrogen-bonded Turntrans-67.1-11.1-179.981.50000114.6L108 T109 V110 L119L108-S112 WeakPolarHBondContact O-CB 3.08Å; L108-S112 PolarHBondContact O-N 3.46Å; T109-S112 PolarHBondContact O-N 3.24Å; T109-S112 PolarHBondContact O-OG 3.13Å; V110-S112 PolarHBondContact O-N 3.28Å; S112-L119 WeakPolarHBondContact O-CD1 3.44Å
113E91.8Very high91.6Very high156 Ų15669 Ų6973%0.72934%0.343SS*.THydrogen-bonded Turntrans-98.7-4.2-178.8-64.6173.7174.400112.9V110 C111V110-E113 WeakPolarHBondContact O-CB 3.24Å; V110-E113 PolarHBondContact O-N 3.04Å; C111-E113 PolarHBondContact O-N 2.78Å; C111-E113 VanDerWaalsContact O-N 3.13Å
114V89.1Confident91.5Very high89 Ų8968.8 Ų68.854%0.53934%0.34SS..THydrogen-bonded Turntrans-72.6-59.8-175.6177.10000112.1C111 W118C111-V114 WeakPolarHBondContact O-CG2 3.32Å; C111-V114 PolarHBondContact O-N 3.35Å; V114-W118 HydrophobicContact CB-CB 4.14Å; V114-W118 HydrophobicContact CB-CD2 4.09Å; V114-W118 HydrophobicContact CB-CE3 4.34Å; V114-W118 HydrophobicContact CB-CG 4.01Å; V114-W118 HydrophobicContact CG1-CD2 4.19Å; V114-W118 HydrophobicContact CG1-CG 4.17Å; V114-W118 HydrophobicContact CG2-CD2 4.3Å; V114-W118 HydrophobicContact CG2-CE3 4.08Å
115N86.2Confident91.3Very high54 Ų5468.2 Ų68.229%0.28934%0.335SS..  trans-158.2-176.4178.370.512.7000110.5D86 S117 W118 L119D86-N115 PolarHBondContact OD2-ND2 3.27Å; N115-S117 VanDerWaalsContact CG-OG 3.25Å; N115-S117 PolarHBondContact ND2-OG 3.41Å; N115-S117 VanDerWaalsContact ND2-OG 3.11Å; N115-S117 PolarHBondContact OD1-N 2.94Å; N115-S117 VanDerWaalsContact OD1-N 3.15Å; N115-S117 PolarHBondContact OD1-OG 2.81Å; N115-W118 VanDerWaalsContact OD1-CB 3.28Å; N115-W118 WeakPolarHBondContact OD1-CB 3.42Å; N115-W118 PolarHBondContact OD1-N 3.15Å; N115-L119 VanDerWaalsContact O-CB 3.24Å; N115-L119 WeakPolarHBondContact O-CB 3.47Å; N115-L119 PolarHBondContact O-N 3.01Å
116K87.8Confident91.1Very high186 Ų18669.1 Ų69.181%0.80935%0.345SS*.Hα-helixtrans-69-34.9-178.7-65.6-178.7-177.9176.40113.9K120K116-K120 PolarHBondContact O-N 3.16Å; K116-K120 VanDerWaalsContact O-N 3.1Å
117S88.5Confident91Very high27 Ų2763.1 Ų63.119%0.18932%0.319CS..Hα-helixtrans-67.6-48.6177.650.50000110.1D86 N115 L119 K120 Y121D86-S117 PolarHBondContact OD2-OG 3.1Å; N115-S117 VanDerWaalsContact CG-OG 3.25Å; N115-S117 PolarHBondContact ND2-OG 3.41Å; N115-S117 VanDerWaalsContact ND2-OG 3.11Å; N115-S117 PolarHBondContact OD1-N 2.94Å; N115-S117 VanDerWaalsContact OD1-N 3.15Å; N115-S117 PolarHBondContact OD1-OG 2.81Å; S117-L119 VanDerWaalsContact C-N 3.32Å; S117-L119 PolarHBondContact O-N 3.11Å; S117-K120 WeakPolarHBondContact O-CB 3.29Å; S117-K120 PolarHBondContact O-N 3.19Å; S117-K120 VanDerWaalsContact O-N 3.13Å; S117-Y121 WeakPolarHBondContact O-CD2 3.05Å; S117-Y121 PolarHBondContact O-N 3.13Å
118W92.9Very high90.8Very high44 Ų4461.3 Ų61.317%0.16731%0.305CS..Hα-helixtrans-60.9-40.9175-7659.7000112.1D86 F87 V88 F100 C111 V114 N115 K120 Y121 A122D86-W118 PolarHBondContact OD1-NE1 2.97Å; D86-W118 PolarHBondContact OD2-NE1 2.9Å; F87-W118 HydrophobicContact CD1-CZ2 4.16Å; F87-W118 AromaticContact CE1-CH2 3.55Å; F87-W118 HydrophobicContact CE1-CH2 3.55Å; F87-W118 AromaticContact CE1-CZ2 3.37Å; F87-W118 HydrophobicContact CE1-CZ2 3.37Å; F87-W118 AromaticContact CZ-CH2 3.76Å; F87-W118 HydrophobicContact CZ-CH2 3.76Å; F87-W118 AromaticContact CZ-CZ2 3.8Å; F87-W118 HydrophobicContact CZ-CZ2 3.8Å; V88-W118 HydrophobicContact CG2-CD2 3.93Å; V88-W118 VanDerWaalsContact CG2-CE2 3.41Å; V88-W118 HydrophobicContact CG2-CG 4.15Å; V88-W118 HydrophobicContact CG2-CZ2 3.78Å; V88-W118 VanDerWaalsContact CG2-NE1 3.3Å; F100-W118 HydrophobicContact CE1-CE3 4.35Å; F100-W118 HydrophobicContact CZ-CD2 4.14Å; F100-W118 AromaticContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CZ3 4.05Å; C111-W118 HydrophobicContact CB-CE3 3.65Å; C111-W118 HydrophobicContact CB-CZ3 3.93Å; C111-W118 VanDerWaalsContact O-CB 3.28Å; C111-W118 WeakPolarHBondContact O-CB 3.35Å; V114-W118 HydrophobicContact CB-CB 4.14Å; V114-W118 HydrophobicContact CB-CD2 4.09Å; V114-W118 HydrophobicContact CB-CE3 4.34Å; V114-W118 HydrophobicContact CB-CG 4.01Å; V114-W118 HydrophobicContact CG1-CD2 4.19Å; V114-W118 HydrophobicContact CG1-CG 4.17Å; V114-W118 HydrophobicContact CG2-CD2 4.3Å; V114-W118 HydrophobicContact CG2-CE3 4.08Å; N115-W118 VanDerWaalsContact OD1-CB 3.28Å; N115-W118 WeakPolarHBondContact OD1-CB 3.42Å; N115-W118 PolarHBondContact OD1-N 3.15Å; W118-K120 VanDerWaalsContact C-N 3.31Å; W118-K120 PolarHBondContact O-N 2.78Å; W118-Y121 PolarHBondContact O-N 2.71Å; W118-A122 WeakPolarHBondContact O-CB 3.22Å; W118-A122 PolarHBondContact O-N 2.89Å
119L92.6Very high90.4Very high60 Ų6065.9 Ų65.931%0.31433%0.325SS..Hα-helixtrans-56.4-44.7173.7176.563.9000111.8S112 N115 S117 R123S112-L119 WeakPolarHBondContact O-CD1 3.44Å; N115-L119 VanDerWaalsContact O-CB 3.24Å; N115-L119 WeakPolarHBondContact O-CB 3.47Å; N115-L119 PolarHBondContact O-N 3.01Å; S117-L119 VanDerWaalsContact C-N 3.32Å; S117-L119 PolarHBondContact O-N 3.11Å; L119-R123 VanDerWaalsContact CD1-CD 3.47Å; L119-R123 HydrophobicContact CD1-CG 4.07Å; L119-R123 WeakPolarHBondContact O-CB 3.22Å; L119-R123 PolarHBondContact O-N 3.05Å; L119-R123 VanDerWaalsContact O-N 3.16Å
120K91.9Very high90.2Very high144 Ų14467.6 Ų67.663%0.62633%0.329SS*.Hα-helixtrans-59.7-48.3178.7-178.3-175.2175.6-175.20111.7K116 S117 W118 H124K116-K120 PolarHBondContact O-N 3.16Å; K116-K120 VanDerWaalsContact O-N 3.1Å; S117-K120 WeakPolarHBondContact O-CB 3.29Å; S117-K120 PolarHBondContact O-N 3.19Å; S117-K120 VanDerWaalsContact O-N 3.13Å; W118-K120 VanDerWaalsContact C-N 3.31Å; W118-K120 PolarHBondContact O-N 2.78Å; K120-H124 PolarHBondContact O-N 3.28Å
121Y92.7Very high89.9Confident36 Ų3663.9 Ų63.914%0.14131%0.305CS..Hα-helixtrans-79.7-38.2-177.5-67.8-74.6000113.2V88 A93 T96 L97 S117 W118 R123 H124 L127V88-Y121 HydrophobicContact CG1-CD2 3.24Å; V88-Y121 HydrophobicContact CG1-CE2 3.63Å; V88-Y121 HydrophobicContact CG1-CG 4.21Å; A93-Y121 HydrophobicContact CB-CE1 3.84Å; T96-Y121 HydrophobicContact CG2-CD1 3.78Å; T96-Y121 HydrophobicContact CG2-CD2 3.78Å; T96-Y121 HydrophobicContact CG2-CE1 4.2Å; T96-Y121 HydrophobicContact CG2-CE2 4.17Å; T96-Y121 HydrophobicContact CG2-CG 3.55Å; L97-Y121 HydrophobicContact CD2-CD1 3.97Å; L97-Y121 HydrophobicContact CG-CD1 4.09Å; S117-Y121 WeakPolarHBondContact O-CD2 3.05Å; S117-Y121 PolarHBondContact O-N 3.13Å; W118-Y121 PolarHBondContact O-N 2.71Å; Y121-R123 PolarHBondContact O-N 3.44Å; Y121-H124 VanDerWaalsContact O-CB 3.28Å; Y121-H124 WeakPolarHBondContact O-CB 3.41Å; Y121-H124 PolarHBondContact O-N 3.33Å; Y121-H124 VanDerWaalsContact O-N 3.16Å; Y121-L127 VanDerWaalsContact O-CD1 3.22Å; Y121-L127 WeakPolarHBondContact O-CD1 3.39Å
122A93.4Very high89.5Confident0 Ų063.1 Ų63.10%030%0.3CS..Hα-helixtrans-63.7-27.7176.800000113.4F100 L108 C111 W118 Y128F100-A122 HydrophobicContact CD1-CB 4.17Å; F100-A122 HydrophobicContact CE1-CB 3.88Å; L108-A122 HydrophobicContact CD2-CB 4.49Å; C111-A122 HydrophobicContact CB-CB 4.19Å; W118-A122 WeakPolarHBondContact O-CB 3.22Å; W118-A122 PolarHBondContact O-N 2.89Å; A122-Y128 VanDerWaalsContact O-CE2 3.29Å; A122-Y128 WeakPolarHBondContact O-CE2 3.28Å; A122-Y128 PolarHBondContact O-OH 3.41Å
123R91.1Very high89.1Confident109 Ų10968.6 Ų68.641%0.41133%0.326SS..THydrogen-bonded Turntrans-100.411.8178-65.6-169.1177.8167.34.7113.5L119 Y121 L182L119-R123 VanDerWaalsContact CD1-CD 3.47Å; L119-R123 HydrophobicContact CD1-CG 4.07Å; L119-R123 WeakPolarHBondContact O-CB 3.22Å; L119-R123 PolarHBondContact O-N 3.05Å; L119-R123 VanDerWaalsContact O-N 3.16Å; Y121-R123 PolarHBondContact O-N 3.44Å; R123-L182 HydrophobicContact CB-CD2 4.19Å; R123-L182 HydrophobicContact CG-CD2 4.35Å
124H90.3Very high88.7Confident54 Ų5464.1 Ų64.125%0.2531%0.306CS..  trans-61.7131.9-178.9-162.2-89.5000111.9L97 K120 Y121 D126 L127 Y128L97-H124 HydrophobicContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CG 3.48Å; K120-H124 PolarHBondContact O-N 3.28Å; Y121-H124 VanDerWaalsContact O-CB 3.28Å; Y121-H124 WeakPolarHBondContact O-CB 3.41Å; Y121-H124 PolarHBondContact O-N 3.33Å; Y121-H124 VanDerWaalsContact O-N 3.16Å; H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 IonicContact CE1-OD2 3.96Å; H124-D126 PolarHBondContact CE1-OD2 3.48Å; H124-D126 PolarHBondContact ND1-N 2.94Å; H124-D126 IonicContact ND1-OD2 3.37Å; H124-D126 PolarHBondContact ND1-OD2 3.16Å; H124-D126 PolarHBondContact O-N 3.3Å; H124-L127 HydrophobicContact CB-CD1 4.42Å; H124-L127 HydrophobicContact CB-CG 4.44Å; H124-L127 PolarHBondContact O-N 3.1Å; H124-Y128 VanDerWaalsContact O-CD2 3.26Å; H124-Y128 WeakPolarHBondContact O-CD2 3.46Å
125P87.4Confident88.2Confident42 Ų4265.4 Ų65.427%0.27332%0.317SS..Hα-helixtrans-54-38.9-174.7-28.234.8000114.7L127 Y128 K129 W181P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 3.29Å; P125-Y128 PolarHBondContact O-N 3.39Å; P125-Y128 VanDerWaalsContact O-N 3.08Å; P125-K129 PolarHBondContact O-N 2.95Å; P125-W181 WeakPolarHBondContact O-CB 3.39Å
126D87.5Confident88Confident88 Ų8871 Ų7147%0.47134%0.338SS..Hα-helixtrans-61.2-34.2-177.1-68-32.6000114.2H124 Y128 K129 H130H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 IonicContact CE1-OD2 3.96Å; H124-D126 PolarHBondContact CE1-OD2 3.48Å; H124-D126 PolarHBondContact ND1-N 2.94Å; H124-D126 IonicContact ND1-OD2 3.37Å; H124-D126 PolarHBondContact ND1-OD2 3.16Å; H124-D126 PolarHBondContact O-N 3.3Å; D126-Y128 VanDerWaalsContact C-N 3.29Å; D126-Y128 PolarHBondContact O-N 3.43Å; D126-K129 PolarHBondContact O-N 2.72Å; D126-H130 WeakPolarHBondContact O-CB 3.29Å; D126-H130 PolarHBondContact O-N 3.03Å
127L90.6Very high87.7Confident7 Ų763.8 Ų63.84%0.03731%0.306CS..Hα-helixtrans-61.2-43.1176-63.3177.9000110.4F100 L108 Y121 H124 P125 H130 F131F100-L127 HydrophobicContact CB-CD1 3.91Å; F100-L127 HydrophobicContact CB-CD2 4.23Å; L108-L127 HydrophobicContact CD1-CD1 4.12Å; L108-L127 HydrophobicContact CD2-CD1 4.14Å; Y121-L127 VanDerWaalsContact O-CD1 3.22Å; Y121-L127 WeakPolarHBondContact O-CD1 3.39Å; H124-L127 HydrophobicContact CB-CD1 4.42Å; H124-L127 HydrophobicContact CB-CG 4.44Å; H124-L127 PolarHBondContact O-N 3.1Å; P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 3.29Å; L127-H130 WeakPolarHBondContact O-CB 3.46Å; L127-H130 PolarHBondContact O-N 2.85Å; L127-F131 WeakPolarHBondContact O-CD2 3.39Å; L127-F131 PolarHBondContact O-N 3.36Å
128Y88.7Confident87.1Confident10 Ų1064.3 Ų64.34%0.03931%0.309CS..Hα-helixtrans-78.8-30.3-178.5-60-84.3000112.7A122 H124 P125 D126 F131 C132 L182 F185A122-Y128 VanDerWaalsContact O-CE2 3.29Å; A122-Y128 WeakPolarHBondContact O-CE2 3.28Å; A122-Y128 PolarHBondContact O-OH 3.41Å; H124-Y128 VanDerWaalsContact O-CD2 3.26Å; H124-Y128 WeakPolarHBondContact O-CD2 3.46Å; P125-Y128 PolarHBondContact O-N 3.39Å; P125-Y128 VanDerWaalsContact O-N 3.08Å; D126-Y128 VanDerWaalsContact C-N 3.29Å; D126-Y128 PolarHBondContact O-N 3.43Å; Y128-F131 HydrophobicContact CD1-CD2 4.25Å; Y128-F131 PolarHBondContact O-N 2.9Å; Y128-C132 WeakPolarHBondContact O-CB 3.36Å; Y128-C132 PolarHBondContact O-N 2.75Å; Y128-C132 PolarHBondContact O-SG 2.92Å; Y128-L182 HydrophobicContact CD1-CD1 3.75Å; Y128-L182 HydrophobicContact CD2-CB 4.17Å; Y128-L182 HydrophobicContact CD2-CD1 3.82Å; Y128-L182 HydrophobicContact CE1-CD1 3.4Å; Y128-L182 VanDerWaalsContact CE1-CD1 3.4Å; Y128-L182 HydrophobicContact CE2-CD1 3.56Å; Y128-L182 HydrophobicContact CG-CB 4.28Å; Y128-L182 HydrophobicContact CG-CD1 3.93Å; Y128-F185 HydrophobicContact CD1-CB 3.83Å; Y128-F185 AromaticContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CE1 4.36Å; Y128-F185 AromaticContact CD1-CG 3.83Å; Y128-F185 HydrophobicContact CD1-CG 3.83Å; Y128-F185 AromaticContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CE1 4.49Å; Y128-F185 HydrophobicContact CG-CB 4.41Å
129K86.9Confident85.7Confident96 Ų9663.4 Ų63.442%0.41731%0.31SS..Hα-helixtrans-58.4-50.4167-175.8178.8179-176.90109.9P125 D126 F131 C132 M133 W181P125-K129 PolarHBondContact O-N 2.95Å; D126-K129 PolarHBondContact O-N 2.72Å; K129-F131 PolarHBondContact O-N 3Å; K129-C132 PolarHBondContact O-N 3.3Å; K129-C132 VanDerWaalsContact O-N 3.11Å; K129-M133 VanDerWaalsContact O-CG 3.31Å; K129-M133 WeakPolarHBondContact O-CG 3.44Å; K129-M133 PolarHBondContact O-N 3.31Å; K129-M133 VanDerWaalsContact O-N 3.13Å; K129-W181 HydrophobicContact CB-CB 4.32Å; K129-W181 HydrophobicContact CB-CD2 3.69Å; K129-W181 HydrophobicContact CB-CE3 4.24Å; K129-W181 HydrophobicContact CB-CG 3.7Å; K129-W181 HydrophobicContact CD-CZ2 4.14Å; K129-W181 HydrophobicContact CG-CD2 3.88Å; K129-W181 HydrophobicContact CG-CE3 4.31Å; K129-W181 HydrophobicContact CG-CG 4.35Å; K129-W181 HydrophobicContact CG-CH2 4.3Å; K129-W181 HydrophobicContact CG-CZ2 3.88Å; K129-W181 HydrophobicContact CG-CZ3 4.5Å
130H86.9Confident83.9Confident98 Ų9866 Ų6645%0.45433%0.33SS..Hα-helixtrans-56.8-49.3176.2178.776.5000111.6D126 L127 C132 M133 L134D126-H130 WeakPolarHBondContact O-CB 3.29Å; D126-H130 PolarHBondContact O-N 3.03Å; L127-H130 WeakPolarHBondContact O-CB 3.46Å; L127-H130 PolarHBondContact O-N 2.85Å; H130-C132 VanDerWaalsContact C-N 3.28Å; H130-C132 PolarHBondContact O-N 3.19Å; H130-M133 PolarHBondContact O-N 3.42Å; H130-L134 PolarHBondContact O-N 3.27Å
131F87.2Confident82Confident15 Ų1564.7 Ų64.77%0.06633%0.329CS..Hα-helixtrans-57.4-41.6175.9-71.8-57.2000112.5L103 W105 L108 L127 Y128 K129 M133 L134 W137 F185L103-F131 WeakPolarHBondContact O-CZ 3.2Å; W105-F131 HydrophobicContact CB-CD2 4.38Å; W105-F131 HydrophobicContact CB-CE1 4.43Å; W105-F131 HydrophobicContact CB-CE2 4Å; W105-F131 HydrophobicContact CB-CZ 4.03Å; L108-F131 HydrophobicContact CD1-CE2 3.53Å; L108-F131 HydrophobicContact CD1-CZ 3.82Å; L127-F131 WeakPolarHBondContact O-CD2 3.39Å; L127-F131 PolarHBondContact O-N 3.36Å; Y128-F131 HydrophobicContact CD1-CD2 4.25Å; Y128-F131 PolarHBondContact O-N 2.9Å; K129-F131 PolarHBondContact O-N 3Å; F131-M133 PolarHBondContact O-N 3.43Å; F131-L134 HydrophobicContact CD1-CD1 4Å; F131-L134 WeakPolarHBondContact O-CB 3.35Å; F131-L134 PolarHBondContact O-N 3.44Å; F131-W137 VanDerWaalsContact O-CB 3.25Å; F131-W137 WeakPolarHBondContact O-CB 3.36Å; F131-F185 HydrophobicContact CB-CD2 3.61Å; F131-F185 HydrophobicContact CB-CE2 3.43Å; F131-F185 VanDerWaalsContact CB-CE2 3.43Å; F131-F185 HydrophobicContact CB-CG 4.41Å; F131-F185 HydrophobicContact CB-CZ 4.09Å; F131-F185 HydrophobicContact CD2-CZ 4.44Å; F131-F185 HydrophobicContact CG-CD2 4.45Å; F131-F185 HydrophobicContact CG-CE2 4.01Å; F131-F185 HydrophobicContact CG-CZ 4.17Å
132C84.2Confident79.8Confident0 Ų066.6 Ų66.60%034%0.341CS..Hα-helixtrans-69.2-13.4179.6-71.30000114.3Y128 K129 H130 S138 W181 R188Y128-C132 WeakPolarHBondContact O-CB 3.36Å; Y128-C132 PolarHBondContact O-N 2.75Å; Y128-C132 PolarHBondContact O-SG 2.92Å; K129-C132 PolarHBondContact O-N 3.3Å; K129-C132 VanDerWaalsContact O-N 3.11Å; H130-C132 VanDerWaalsContact C-N 3.28Å; H130-C132 PolarHBondContact O-N 3.19Å; C132-S138 VanDerWaalsContact O-CA 3.27Å; C132-S138 WeakPolarHBondContact O-CA 3.49Å; C132-W181 HydrophobicContact CB-CE3 4.02Å; C132-W181 HydrophobicContact CB-CZ3 4.07Å; C132-R188 PolarHBondContact O-NH1 3.19Å; C132-R188 VanDerWaalsContact O-NH1 3.07Å
133M83.7Confident77.2Confident126 Ų12676.7 Ų76.762%0.62138%0.379SS*.Hα-helixtrans-93-17.5174.5-64.8-67.2-73.500112.6K129 H130 F131K129-M133 VanDerWaalsContact O-CG 3.31Å; K129-M133 WeakPolarHBondContact O-CG 3.44Å; K129-M133 PolarHBondContact O-N 3.31Å; K129-M133 VanDerWaalsContact O-N 3.13Å; H130-M133 PolarHBondContact O-N 3.42Å; F131-M133 PolarHBondContact O-N 3.43Å
134L83.3Confident74.4Confident61 Ų6178.5 Ų78.532%0.31939%0.39SS..SBendtrans-67.2142.7177.5-66.8175.5000111.1H130 F131 K136 W137 S138H130-L134 PolarHBondContact O-N 3.27Å; F131-L134 HydrophobicContact CD1-CD1 4Å; F131-L134 WeakPolarHBondContact O-CB 3.35Å; F131-L134 PolarHBondContact O-N 3.44Å; L134-K136 PolarHBondContact O-N 2.93Å; L134-W137 CarbonylContact O-C 3.6Å; L134-W137 PolarHBondContact O-N 3.42Å; L134-S138 WeakPolarHBondContact O-CB 3.46Å; L134-S138 PolarHBondContact O-N 3.41Å; L134-S138 PolarHBondContact O-OG 3.01Å
135P78.3Confident71.5Confident117 Ų11781.1 Ų81.176%0.7641%0.412SS*.THydrogen-bonded Turntrans-53.7-31.2-179-28.234000114.9W137 S138P135-W137 PolarHBondContact O-N 3.05Å; P135-S138 WeakPolarHBondContact CA-OG 3.25Å; P135-S138 PolarHBondContact O-OG 3.29Å
136K81.5Confident68.8Low170 Ų17086.2 Ų86.274%0.73943%0.432SS*.THydrogen-bonded Turntrans-67.2-24.9179.1-70.6-176.5178.9175.50113.5L134L134-K136 PolarHBondContact O-N 2.93Å
137W83Confident65.9Low36 Ų3688.3 Ų88.314%0.13644%0.443CS..THydrogen-bonded Turntrans-128.8-7.6-171.3-63.1112000112.7W105 F131 L134 P135 F185 R188 V189 R192W105-W137 AromaticContact NE1-CZ2 3.58Å; F131-W137 VanDerWaalsContact O-CB 3.25Å; F131-W137 WeakPolarHBondContact O-CB 3.36Å; L134-W137 CarbonylContact O-C 3.6Å; L134-W137 PolarHBondContact O-N 3.42Å; P135-W137 PolarHBondContact O-N 3.05Å; W137-F185 HydrophobicContact CB-CE2 4.31Å; W137-F185 AromaticContact CD1-CE2 3.92Å; W137-F185 AromaticContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CZ 4.23Å; W137-F185 AromaticContact CE2-CE2 3.86Å; W137-F185 AromaticContact CE2-CZ 3.99Å; W137-F185 HydrophobicContact CE3-CE2 4.13Å; W137-F185 AromaticContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CZ2-CE2 4.49Å; W137-F185 HydrophobicContact CZ2-CZ 4.25Å; W137-F185 AromaticContact NE1-CE2 3.98Å; W137-R188 HydrophobicContact CE3-CB 4.19Å; W137-R188 VanDerWaalsContact O-CD 3.24Å; W137-R188 WeakPolarHBondContact O-CD 3.43Å; W137-R188 PolarHBondContact O-NH1 2.67Å; W137-V189 HydrophobicContact CE3-CG2 4.43Å; W137-V189 HydrophobicContact CH2-CB 4.28Å; W137-V189 HydrophobicContact CH2-CG2 3.61Å; W137-V189 HydrophobicContact CZ2-CG2 4.26Å; W137-V189 HydrophobicContact CZ3-CB 4.27Å; W137-V189 HydrophobicContact CZ3-CG2 3.71Å; W137-R192 HydrophobicContact CZ3-CB 4.16Å
138S74.2Confident62.9Low37 Ų3797.6 Ų97.626%0.25948%0.483SS..  trans-67144.7179.359.90000111.8C132 L134 P135C132-S138 VanDerWaalsContact O-CA 3.27Å; C132-S138 WeakPolarHBondContact O-CA 3.49Å; L134-S138 WeakPolarHBondContact O-CB 3.46Å; L134-S138 PolarHBondContact O-N 3.41Å; L134-S138 PolarHBondContact O-OG 3.01Å; P135-S138 WeakPolarHBondContact CA-OG 3.25Å; P135-S138 PolarHBondContact O-OG 3.29Å
139S64.4Low59.7Low25 Ų25103.3 Ų103.318%0.17551%0.514CS..  trans-69.4136.7167.8173.80000109.6I141 L142S139-I141 PolarHBondContact O-N 3.4Å; S139-I141 VanDerWaalsContact O-N 3.13Å; S139-I141 PolarHBondContact OG-N 3.42Å; S139-L142 PolarHBondContact O-N 3.43Å; S139-L142 VanDerWaalsContact O-N 3.11Å
140P54.2Low56.7Low114 Ų114101.5 Ų101.574%0.7452%0.523SS*.G310 helixtrans-54.2-28.9170.3-25.134.3000113.1R143P140-R143 VanDerWaalsContact O-CB 3.32Å; P140-R143 WeakPolarHBondContact O-CB 3.49Å; P140-R143 PolarHBondContact O-N 3.12Å
141I52.4Low53.9Low118 Ų118104.7 Ų104.761%0.60554%0.542SS*.G310 helixtrans-73.7-32.9-178.4-56.5166.2000111.2S139 R143S139-I141 PolarHBondContact O-N 3.4Å; S139-I141 VanDerWaalsContact O-N 3.13Å; S139-I141 PolarHBondContact OG-N 3.42Å; I141-R143 PolarHBondContact O-N 2.9Å
142L45.9Very low50.9Low76 Ų76109.5 Ų109.540%0.39857%0.572SS.*G310 helixtrans-73.8-6.6176.4-67.6173.6000112.7S139 K144S139-L142 PolarHBondContact O-N 3.43Å; S139-L142 VanDerWaalsContact O-N 3.11Å; L142-K144 PolarHBondContact O-N 3.14Å
143R39.5Very low48.1Very low211 Ų211119 Ų11980%0.79661%0.614SS**G310 helixtrans-76.1-8.2179.1-132.4-174.1121.4167.73.6113.4P140 I141 P145P140-R143 VanDerWaalsContact O-CB 3.32Å; P140-R143 WeakPolarHBondContact O-CB 3.49Å; P140-R143 PolarHBondContact O-N 3.12Å; I141-R143 PolarHBondContact O-N 2.9Å; R143-P145 WeakPolarHBondContact O-CD 3.33Å
144K32.5Very low45.3Very low147 Ų147117.9 Ų117.964%0.63962%0.618SS**SBendtrans-71.3108.7162.7-72.6-170178-173.40106.4L142 Q146L142-K144 PolarHBondContact O-N 3.14Å; K144-Q146 PolarHBondContact O-N 3.08Å
145P29.3Very low42.5Very low110 Ų110121.4 Ų121.471%0.71464%0.637SS**  trans-63.1102.2160.21.717.7000103.2R143 L147R143-P145 WeakPolarHBondContact O-CD 3.33Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 2.89Å
146Q31.6Very low40Very low148 Ų148124.3 Ų124.369%0.69264%0.641SS**  trans-52.6111.6154.1-68.9-67.9-11.900102.9K144 F148K144-Q146 PolarHBondContact O-N 3.08Å; Q146-F148 PolarHBondContact O-N 3.3Å
147L26.4Very low37.4Very low133 Ų133125.8 Ų125.870%0.69664%0.643SS**  trans-5789.6167.6-82.790.3000104.9P145 N149P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 2.89Å; L147-N149 HydrophobicContact CB-CB 4.43Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.47Å; L147-N149 PolarHBondContact O-N 3.22Å
148F26Very low34.6Very low202 Ų202131.6 Ų131.689%0.88668%0.677SS**  trans-74.860.9160.3-139.9-90.9000105.3Q146 G150Q146-F148 PolarHBondContact O-N 3.3Å; F148-G150 PolarHBondContact O-N 3.48Å
149N23.1Very low32.4Very low129 Ų129137.7 Ų137.769%0.6970%0.701SS**  trans-73.6109167.6-92.74.9000105.9L147L147-N149 HydrophobicContact CB-CB 4.43Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.47Å; L147-N149 PolarHBondContact O-N 3.22Å
150G23.6Very low30.4Very low58 Ų58148.3 Ų148.360%0.59874%0.737SS**  trans53.284.7144.100000117.2F148F148-G150 PolarHBondContact O-N 3.48Å
151I28Very low29.2Very low165 Ų165148.9 Ų148.985%0.84674%0.739SS**  trans-116.564.8133.6-53.7176.3000106.4
152T24.1Very low27.9Very low116 Ų116149 Ų14971%0.71275%0.747SS**  trans-107.6116.3152.651.40000106.1
153K25.2Very low26.9Very low200 Ų200154.6 Ų154.687%0.8777%0.771SS**  trans73.7102.8159.4-53.3174179.3-177.50116.4
154S25.2Very low26.3Very low102 Ų102152.9 Ų152.971%0.71377%0.772SS**  -170.2135.7123.654.80000111.1
155N24.6Very low25.9Very low135 Ų135152.8 Ų152.872%0.72278%0.778SS**  trans91.786.1161.9-47-16.8000112.9
156E25.8Very low25.8Very low178 Ų178157 Ų15783%0.83279%0.788SS**  41.368.259.8-82.8-171.8172.500111.7
157Y27.7Very low25.5Very low202 Ų202158.6 Ų158.679%0.79280%0.796SS**  trans-140.496.7149.1-102.4-84.1000109H159Y157-H159 PolarHBondContact O-N 3.18Å; Y157-H159 VanDerWaalsContact O-N 3.08Å
158N23.8Very low25.4Very low158 Ų158159 Ų15985%0.84580%0.799SS**  trans-67.393.8171.8-73-50.1000109.6
159H26.3Very low25.5Very low164 Ų164154.4 Ų154.476%0.75979%0.792SS**  trans-103.7102157.7-89.9-67.5000109.3Y157 V161Y157-H159 PolarHBondContact O-N 3.18Å; Y157-H159 VanDerWaalsContact O-N 3.08Å; H159-V161 PolarHBondContact O-N 2.95Å
160R23.1Very low25.8Very low248 Ų248155.9 Ų155.994%0.93680%0.8SS**  trans-58.3117.1168.1-75.6178.4175.2-176-2108.9
161V28.6Very low26.2Very low127 Ų127160 Ų16077%0.7781%0.808SS**  trans-128.5139.2162-179.40000107.6H159H159-V161 PolarHBondContact O-N 2.95Å
162P25.4Very low26.7Very low120 Ų120159.7 Ų159.778%0.77981%0.808SS**  trans-72.5151.1-157.3-16.832.1000115.1E164P162-E164 PolarHBondContact O-N 3.46Å; P162-E164 VanDerWaalsContact O-N 3.14Å
163E25.6Very low27.2Very low194 Ų194160.8 Ų160.891%0.90781%0.807SS**  trans-63.396.8179.5-62.6172.2149.300112.4
164E25.5Very low27.7Very low174 Ų174157.8 Ų157.881%0.81380%0.801SS**  trans-136.3124.6161.2-71.9-170.7169.400111P162P162-E164 PolarHBondContact O-N 3.46Å; P162-E164 VanDerWaalsContact O-N 3.14Å
165N25.5Very low28.3Very low145 Ų145160.5 Ų160.578%0.77581%0.807SS**  trans82.169.1165.6-55.1-34.7000118.8Q167N165-Q167 PolarHBondContact O-N 3.29Å
166Q26.2Very low29.2Very low198 Ų198161.5 Ų161.593%0.92581%0.807SS**THydrogen-bonded Turntrans-68.720.3168.2-91.9-176-2.600116.4
167Q25.8Very low30.4Very low183 Ų183159.8 Ų159.886%0.85580%0.803SS**THydrogen-bonded Turntrans-114.46-172.7-85.3-172.3-8.400117.8N165N165-Q167 PolarHBondContact O-N 3.29Å
168N25.4Very low32Very low140 Ų140157.8 Ų157.875%0.74980%0.801SS**SBendtrans-137.215.3178.9-97.3-23.4000117.4N170N168-N170 PolarHBondContact O-N 2.92Å
169S28.1Very low34.4Very low107 Ų107153.5 Ų153.575%0.74878%0.778SS**THydrogen-bonded Turntrans-91.311.3-174.2-520000116.1
170N27.8Very low37Very low159 Ų159150.2 Ų150.285%0.8577%0.766SS**THydrogen-bonded Turntrans-98.3-2.5-178.4-77.2-10.8000115.4N168N168-N170 PolarHBondContact O-N 2.92Å
171N32.3Very low40Very low144 Ų144140.4 Ų140.477%0.7773%0.729SS**SBendtrans-1045.6-171.1-75.4-10.5000116.2
172L38.5Very low42.7Very low160 Ų160135.6 Ų135.684%0.83870%0.699SS**SBendtrans-117.80.6-170.1-87.2155.5000118
173I35.2Very low45.4Very low138 Ų138133 Ų13371%0.70868%0.678SS**SBendtrans-124.8-12.4-175.1-62-178.5000116.8N175I173-N175 PolarHBondContact O-N 3.45Å
174N35.1Very low48.1Very low137 Ų137125 Ų12573%0.73364%0.642SS**  trans-104.235.1-171.3-69.3-14.7000116.5H176N174-H176 PolarHBondContact O-N 3.44Å; N174-H176 VanDerWaalsContact O-N 3.08Å
175N37.5Very low51Low159 Ų159117 Ų11785%0.8561%0.605SS**  trans-77.233.9155.5-76.4-11.8000111.4I173 L177I173-N175 PolarHBondContact O-N 3.45Å; N175-L177 PolarHBondContact O-N 3.17Å
176H44.2Very low54Low156 Ų156114.8 Ų114.872%0.72259%0.588SS**  trans-59.690.7154.9-86-75.5000105.7N174 E178N174-H176 PolarHBondContact O-N 3.44Å; N174-H176 VanDerWaalsContact O-N 3.08Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.08Å
177L51.3Low56.7Low142 Ų142108 Ų10874%0.74356%0.556SS**  trans-47.7100.3172.4-72163.1000106.6N175 I179N175-L177 PolarHBondContact O-N 3.17Å; L177-I179 PolarHBondContact O-N 2.92Å
178E60.5Low59.7Low160 Ų160100.5 Ų100.575%0.74852%0.52SS*.  trans-64.5106.4-176.4-168-176.4168.300106.2H176 N180H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.08Å; E178-N180 PolarHBondContact O-N 3.45Å
179I74.5Confident62.7Low69 Ų6995 Ų9535%0.35449%0.491SS..  trans-62.6118.5-177.3-62.9173.4000106.8L177 W181 V184 I287L177-I179 PolarHBondContact O-N 2.92Å; I179-W181 HydrophobicContact CB-CD2 4.44Å; I179-W181 HydrophobicContact CB-CZ2 4.16Å; I179-W181 HydrophobicContact CD1-CH2 4.34Å; I179-W181 HydrophobicContact CD1-CZ2 3.93Å; I179-W181 HydrophobicContact CG2-CD2 3.92Å; I179-W181 HydrophobicContact CG2-CE3 4.22Å; I179-W181 HydrophobicContact CG2-CG 4.37Å; I179-W181 HydrophobicContact CG2-CH2 4.36Å; I179-W181 HydrophobicContact CG2-CZ2 4.07Å; I179-W181 HydrophobicContact CG2-CZ3 4.44Å; I179-W181 PolarHBondContact O-N 3.36Å; I179-V184 HydrophobicContact CG2-CG2 4.24Å; I179-I287 HydrophobicContact CD1-CD1 4.24Å
180N82.1Confident65.5Low94 Ų9491.9 Ų91.950%0.50347%0.469SS..  trans-71.980.3174.8-172.5-28.1000110E178 L182 N183 V184E178-N180 PolarHBondContact O-N 3.45Å; N180-L182 PolarHBondContact O-N 3.4Å; N180-L182 PolarHBondContact OD1-N 3.47Å; N180-N183 HydrophobicContact CB-CB 4.22Å; N180-N183 PolarHBondContact O-N 2.91Å; N180-N183 WeakPolarHBondContact OD1-CB 3.26Å; N180-N183 PolarHBondContact OD1-N 2.86Å; N180-V184 PolarHBondContact O-N 3.47Å; N180-V184 VanDerWaalsContact O-N 3.09Å
181W84.2Confident68.4Low43 Ų4386.7 Ų86.716%0.16344%0.441CS..Hα-helixtrans-58-33.4-178.4-68.5107.4000112.8P125 K129 C132 I179 V184 F185P125-W181 WeakPolarHBondContact O-CB 3.39Å; K129-W181 HydrophobicContact CB-CB 4.32Å; K129-W181 HydrophobicContact CB-CD2 3.69Å; K129-W181 HydrophobicContact CB-CE3 4.24Å; K129-W181 HydrophobicContact CB-CG 3.7Å; K129-W181 HydrophobicContact CD-CZ2 4.14Å; K129-W181 HydrophobicContact CG-CD2 3.88Å; K129-W181 HydrophobicContact CG-CE3 4.31Å; K129-W181 HydrophobicContact CG-CG 4.35Å; K129-W181 HydrophobicContact CG-CH2 4.3Å; K129-W181 HydrophobicContact CG-CZ2 3.88Å; K129-W181 HydrophobicContact CG-CZ3 4.5Å; C132-W181 HydrophobicContact CB-CE3 4.02Å; C132-W181 HydrophobicContact CB-CZ3 4.07Å; I179-W181 HydrophobicContact CB-CD2 4.44Å; I179-W181 HydrophobicContact CB-CZ2 4.16Å; I179-W181 HydrophobicContact CD1-CH2 4.34Å; I179-W181 HydrophobicContact CD1-CZ2 3.93Å; I179-W181 HydrophobicContact CG2-CD2 3.92Å; I179-W181 HydrophobicContact CG2-CE3 4.22Å; I179-W181 HydrophobicContact CG2-CG 4.37Å; I179-W181 HydrophobicContact CG2-CH2 4.36Å; I179-W181 HydrophobicContact CG2-CZ2 4.07Å; I179-W181 HydrophobicContact CG2-CZ3 4.44Å; I179-W181 PolarHBondContact O-N 3.36Å; W181-V184 PolarHBondContact O-N 3.31Å; W181-F185 WeakPolarHBondContact O-CB 3.45Å; W181-F185 PolarHBondContact O-N 2.92Å
182L85.9Confident71.1Confident26 Ų2687.3 Ų87.314%0.13643%0.432CS..Hα-helixtrans-60.3-46.6175177.364.1000111.1R123 Y128 N180 F185 K186R123-L182 HydrophobicContact CB-CD2 4.19Å; R123-L182 HydrophobicContact CG-CD2 4.35Å; Y128-L182 HydrophobicContact CD1-CD1 3.75Å; Y128-L182 HydrophobicContact CD2-CB 4.17Å; Y128-L182 HydrophobicContact CD2-CD1 3.82Å; Y128-L182 HydrophobicContact CE1-CD1 3.4Å; Y128-L182 VanDerWaalsContact CE1-CD1 3.4Å; Y128-L182 HydrophobicContact CE2-CD1 3.56Å; Y128-L182 HydrophobicContact CG-CB 4.28Å; Y128-L182 HydrophobicContact CG-CD1 3.93Å; N180-L182 PolarHBondContact O-N 3.4Å; N180-L182 PolarHBondContact OD1-N 3.47Å; L182-F185 PolarHBondContact O-N 2.91Å; L182-K186 HydrophobicContact CD1-CD 4.42Å; L182-K186 HydrophobicContact CD1-CG 4.48Å; L182-K186 HydrophobicContact CG-CD 4.23Å; L182-K186 WeakPolarHBondContact O-CB 3.24Å; L182-K186 VanDerWaalsContact O-CG 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.42Å; L182-K186 PolarHBondContact O-N 3.16Å
183N82.3Confident73.6Confident64 Ų6486.5 Ų86.534%0.34242%0.418SS..Hα-helixtrans-68.6-40.5179.2-166.620.1000111.9N180 F185 K186 K187N180-N183 HydrophobicContact CB-CB 4.22Å; N180-N183 PolarHBondContact O-N 2.91Å; N180-N183 WeakPolarHBondContact OD1-CB 3.26Å; N180-N183 PolarHBondContact OD1-N 2.86Å; N183-F185 PolarHBondContact O-N 2.94Å; N183-K186 PolarHBondContact O-N 2.88Å; N183-K187 WeakPolarHBondContact O-CG 3.24Å; N183-K187 PolarHBondContact O-N 2.99Å
184V83.2Confident76.3Confident27 Ų2782.4 Ų82.416%0.16440%0.397CS..Hα-helixtrans-56.8-51.5173.7173.90000110.3I179 N180 W181 K186 K187 R188 E289I179-V184 HydrophobicContact CG2-CG2 4.24Å; N180-V184 PolarHBondContact O-N 3.47Å; N180-V184 VanDerWaalsContact O-N 3.09Å; W181-V184 PolarHBondContact O-N 3.31Å; V184-K186 PolarHBondContact O-N 3.11Å; V184-K187 PolarHBondContact O-N 3.26Å; V184-R188 WeakPolarHBondContact O-CG 3.38Å; V184-R188 PolarHBondContact O-N 2.95Å; V184-R188 VanDerWaalsContact O-N 3.08Å; V184-E289 WeakPolarHBondContact CG1-OE1 3.48Å
185F86.4Confident78.9Confident5 Ų584.2 Ų84.22%0.02240%0.399CS..Hα-helixtrans-62.4-44.4179.4-173.9-103.1000112.2W105 Y128 F131 W137 W181 L182 N183 K187 R188 V189W105-F185 HydrophobicContact CB-CE1 3.55Å; W105-F185 HydrophobicContact CB-CZ 3.77Å; W105-F185 AromaticContact CD1-CZ 3.68Å; W105-F185 AromaticContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CZ 4.16Å; W105-F185 HydrophobicContact CE3-CE1 4.39Å; W105-F185 AromaticContact CG-CE1 3.63Å; W105-F185 HydrophobicContact CG-CE1 3.63Å; W105-F185 AromaticContact CG-CZ 3.58Å; W105-F185 HydrophobicContact CG-CZ 3.58Å; Y128-F185 HydrophobicContact CD1-CB 3.83Å; Y128-F185 AromaticContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CE1 4.36Å; Y128-F185 AromaticContact CD1-CG 3.83Å; Y128-F185 HydrophobicContact CD1-CG 3.83Å; Y128-F185 AromaticContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CE1 4.49Å; Y128-F185 HydrophobicContact CG-CB 4.41Å; F131-F185 HydrophobicContact CB-CD2 3.61Å; F131-F185 HydrophobicContact CB-CE2 3.43Å; F131-F185 VanDerWaalsContact CB-CE2 3.43Å; F131-F185 HydrophobicContact CB-CG 4.41Å; F131-F185 HydrophobicContact CB-CZ 4.09Å; F131-F185 HydrophobicContact CD2-CZ 4.44Å; F131-F185 HydrophobicContact CG-CD2 4.45Å; F131-F185 HydrophobicContact CG-CE2 4.01Å; F131-F185 HydrophobicContact CG-CZ 4.17Å; W137-F185 HydrophobicContact CB-CE2 4.31Å; W137-F185 AromaticContact CD1-CE2 3.92Å; W137-F185 AromaticContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CZ 4.23Å; W137-F185 AromaticContact CE2-CE2 3.86Å; W137-F185 AromaticContact CE2-CZ 3.99Å; W137-F185 HydrophobicContact CE3-CE2 4.13Å; W137-F185 AromaticContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CZ2-CE2 4.49Å; W137-F185 HydrophobicContact CZ2-CZ 4.25Å; W137-F185 AromaticContact NE1-CE2 3.98Å; W181-F185 WeakPolarHBondContact O-CB 3.45Å; W181-F185 PolarHBondContact O-N 2.92Å; L182-F185 PolarHBondContact O-N 2.91Å; N183-F185 PolarHBondContact O-N 2.94Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 2.78Å; F185-R188 PolarHBondContact O-N 3.13Å; F185-R188 VanDerWaalsContact O-N 3.17Å; F185-V189 HydrophobicContact CD1-CG2 3.88Å; F185-V189 HydrophobicContact CE1-CG2 3.42Å; F185-V189 VanDerWaalsContact CE1-CG2 3.42Å; F185-V189 HydrophobicContact CE2-CG2 4.19Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.6Å; F185-V189 WeakPolarHBondContact O-CG2 3.39Å; F185-V189 PolarHBondContact O-N 3.5Å
186K87.5Confident81.5Confident99 Ų9986 Ų8643%0.4339%0.394SS..Hα-helixtrans-54.9-47.9175-79.3174.5178.1178.40111.6L182 N183 V184 R188 V189 C190L182-K186 HydrophobicContact CD1-CD 4.42Å; L182-K186 HydrophobicContact CD1-CG 4.48Å; L182-K186 HydrophobicContact CG-CD 4.23Å; L182-K186 WeakPolarHBondContact O-CB 3.24Å; L182-K186 VanDerWaalsContact O-CG 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.42Å; L182-K186 PolarHBondContact O-N 3.16Å; N183-K186 PolarHBondContact O-N 2.88Å; V184-K186 PolarHBondContact O-N 3.11Å; K186-R188 VanDerWaalsContact C-N 3.35Å; K186-R188 PolarHBondContact O-N 3.07Å; K186-V189 PolarHBondContact O-N 2.88Å; K186-C190 WeakPolarHBondContact O-CB 3.46Å; K186-C190 PolarHBondContact O-N 3.09Å; K186-C190 PolarHBondContact O-SG 3.46Å
187K83.9Confident83.9Confident56 Ų5682.5 Ų82.524%0.24338%0.38CS..Hα-helixtrans-58.2-46.3177-74.7178.9-178.4176.80111.3N183 V184 F185 V189 C190 L191N183-K187 WeakPolarHBondContact O-CG 3.24Å; N183-K187 PolarHBondContact O-N 2.99Å; V184-K187 PolarHBondContact O-N 3.26Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 2.78Å; K187-V189 PolarHBondContact O-N 3.26Å; K187-C190 PolarHBondContact O-N 2.95Å; K187-L191 WeakPolarHBondContact O-CB 3.21Å; K187-L191 WeakPolarHBondContact O-CD1 3.27Å; K187-L191 WeakPolarHBondContact O-CG 3.37Å; K187-L191 PolarHBondContact O-N 3.25Å
188R87.4Confident85.9Confident26 Ų2678 Ų7810%0.09837%0.368CS..Hα-helixtrans-62-42178.1-66.4-179.3-176.8177.57.2112.9C132 W137 V184 F185 K186 L191 R192 E289C132-R188 PolarHBondContact O-NH1 3.19Å; C132-R188 VanDerWaalsContact O-NH1 3.07Å; W137-R188 HydrophobicContact CE3-CB 4.19Å; W137-R188 VanDerWaalsContact O-CD 3.24Å; W137-R188 WeakPolarHBondContact O-CD 3.43Å; W137-R188 PolarHBondContact O-NH1 2.67Å; V184-R188 WeakPolarHBondContact O-CG 3.38Å; V184-R188 PolarHBondContact O-N 2.95Å; V184-R188 VanDerWaalsContact O-N 3.08Å; F185-R188 PolarHBondContact O-N 3.13Å; F185-R188 VanDerWaalsContact O-N 3.17Å; K186-R188 VanDerWaalsContact C-N 3.35Å; K186-R188 PolarHBondContact O-N 3.07Å; R188-L191 PolarHBondContact O-N 3.11Å; R188-R192 WeakPolarHBondContact O-CB 3.31Å; R188-R192 PolarHBondContact O-N 2.77Å; R188-E289 IonicContact CZ-OE1 3.43Å; R188-E289 IonicContact NE-OE1 3.21Å; R188-E289 PolarHBondContact NE-OE1 2.7Å; R188-E289 IonicContact NH2-OE1 3.12Å; R188-E289 PolarHBondContact NH2-OE1 2.87Å
189V88.2Confident87.3Confident25 Ų2575.4 Ų75.415%0.15235%0.354CS..Hα-helixtrans-62.4-46.6174.5174.50000111.1W105 W137 F185 K186 K187 R192 R193W105-V189 HydrophobicContact CH2-CG1 3.62Å; W105-V189 HydrophobicContact CZ2-CG1 4.06Å; W105-V189 HydrophobicContact CZ3-CG1 3.98Å; W137-V189 HydrophobicContact CE3-CG2 4.43Å; W137-V189 HydrophobicContact CH2-CB 4.28Å; W137-V189 HydrophobicContact CH2-CG2 3.61Å; W137-V189 HydrophobicContact CZ2-CG2 4.26Å; W137-V189 HydrophobicContact CZ3-CB 4.27Å; W137-V189 HydrophobicContact CZ3-CG2 3.71Å; F185-V189 HydrophobicContact CD1-CG2 3.88Å; F185-V189 HydrophobicContact CE1-CG2 3.42Å; F185-V189 VanDerWaalsContact CE1-CG2 3.42Å; F185-V189 HydrophobicContact CE2-CG2 4.19Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.6Å; F185-V189 WeakPolarHBondContact O-CG2 3.39Å; F185-V189 PolarHBondContact O-N 3.5Å; K186-V189 PolarHBondContact O-N 2.88Å; K187-V189 PolarHBondContact O-N 3.26Å; V189-R192 PolarHBondContact O-N 3.42Å; V189-R193 WeakPolarHBondContact O-CB 3.39Å; V189-R193 PolarHBondContact O-N 2.82Å
190C88.4Confident88.1Confident41 Ų4178.7 Ų78.728%0.27737%0.368SS..Hα-helixtrans-60.2-46.2177.1-72.60000111.7K186 K187 R193 N194K186-C190 WeakPolarHBondContact O-CB 3.46Å; K186-C190 PolarHBondContact O-N 3.09Å; K186-C190 PolarHBondContact O-SG 3.46Å; K187-C190 PolarHBondContact O-N 2.95Å; C190-R193 PolarHBondContact O-N 2.71Å; C190-N194 WeakPolarHBondContact O-CB 3.24Å; C190-N194 PolarHBondContact O-N 3.39Å; C190-N194 PolarHBondContact O-OD1 3.06Å
191L87.8Confident88.4Confident50 Ų5084.1 Ų84.126%0.26238%0.381SS..Hα-helixtrans-60.2-51177.4-71.4160.9000111.1K187 R188 R193 N194 F195 A292K187-L191 WeakPolarHBondContact O-CB 3.21Å; K187-L191 WeakPolarHBondContact O-CD1 3.27Å; K187-L191 WeakPolarHBondContact O-CG 3.37Å; K187-L191 PolarHBondContact O-N 3.25Å; R188-L191 PolarHBondContact O-N 3.11Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 2.98Å; L191-N194 WeakPolarHBondContact O-CB 3.4Å; L191-N194 PolarHBondContact O-N 3.25Å; L191-F195 VanDerWaalsContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 PolarHBondContact O-N 3.2Å; L191-A292 HydrophobicContact CD1-CB 3.32Å; L191-A292 HydrophobicContact CD2-CB 3.83Å; L191-A292 HydrophobicContact CG-CB 4.19Å
192R88.6Confident88.6Confident157 Ų15788.2 Ų88.259%0.59241%0.405SS*.Hα-helixtrans-57-42.6177.6-174-179.6-179.51016.7111.8W137 R188 V189 R196W137-R192 HydrophobicContact CZ3-CB 4.16Å; R188-R192 WeakPolarHBondContact O-CB 3.31Å; R188-R192 PolarHBondContact O-N 2.77Å; V189-R192 PolarHBondContact O-N 3.42Å; R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 PolarHBondContact O-N 3.13Å
193R90.6Very high88.8Confident143 Ų14390.9 Ų90.954%0.5441%0.413SS..Hα-helixtrans-63.5-42175.9179.4175.8-179.8147.41.6111.5V189 C190 L191 R196 L197V189-R193 WeakPolarHBondContact O-CB 3.39Å; V189-R193 PolarHBondContact O-N 2.82Å; C190-R193 PolarHBondContact O-N 2.71Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 2.98Å; R193-R196 PolarHBondContact O-N 3.11Å; R193-L197 HydrophobicContact CG-CD1 3.68Å; R193-L197 HydrophobicContact CG-CG 4.29Å; R193-L197 WeakPolarHBondContact O-CB 3.4Å; R193-L197 WeakPolarHBondContact O-CG 3.12Å; R193-L197 PolarHBondContact O-N 3.35Å
194N92.6Very high89.2Confident51 Ų5195.2 Ų95.227%0.27343%0.429SS..Hα-helixtrans-63.6-46179.1-76-7.8000111.7C190 L191 R196 L197 G198 K199C190-N194 WeakPolarHBondContact O-CB 3.24Å; C190-N194 PolarHBondContact O-N 3.39Å; C190-N194 PolarHBondContact O-OD1 3.06Å; L191-N194 WeakPolarHBondContact O-CB 3.4Å; L191-N194 PolarHBondContact O-N 3.25Å; N194-R196 VanDerWaalsContact C-N 3.34Å; N194-R196 PolarHBondContact O-N 2.86Å; N194-L197 CarbonylContact O-C 3.58Å; N194-L197 PolarHBondContact O-N 3.25Å; N194-G198 CarbonylContact O-C 3.5Å; N194-G198 WeakPolarHBondContact O-CA 3.32Å; N194-G198 PolarHBondContact O-N 3.06Å; N194-K199 HydrophobicContact CB-CB 4.25Å; N194-K199 WeakPolarHBondContact CB-O 3.4Å; N194-K199 PolarHBondContact O-N 3.32Å
195F89.9Confident89.6Confident175 Ų17596.7 Ų96.777%0.76843%0.433SS*.Hα-helixtrans-57.7-46.1173-83.1-75.7000111.8L191 L197 G198L191-F195 VanDerWaalsContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 PolarHBondContact O-N 3.2Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 2.79Å; F195-G198 PolarHBondContact O-N 3.41Å
196R92.3Very high89.9Confident197 Ų197101.9 Ų101.974%0.74346%0.461SS*.Hα-helixtrans-65.2-35.5180-171.9177.967.3159.94.2113.4R192 R193 N194R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 PolarHBondContact O-N 3.13Å; R193-R196 PolarHBondContact O-N 3.11Å; N194-R196 VanDerWaalsContact C-N 3.34Å; N194-R196 PolarHBondContact O-N 2.86Å
197L94.7Very high90Very high82 Ų8298.7 Ų98.743%0.42946%0.456SS..Hα-helixtrans-95.31.4-177.4-64.5178.7000113.1R193 N194 F195 K199R193-L197 HydrophobicContact CG-CD1 3.68Å; R193-L197 HydrophobicContact CG-CG 4.29Å; R193-L197 WeakPolarHBondContact O-CB 3.4Å; R193-L197 WeakPolarHBondContact O-CG 3.12Å; R193-L197 PolarHBondContact O-N 3.35Å; N194-L197 CarbonylContact O-C 3.58Å; N194-L197 PolarHBondContact O-N 3.25Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 2.79Å; L197-K199 HydrophobicContact CB-CD 4.45Å; L197-K199 HydrophobicContact CB-CG 3.96Å; L197-K199 HydrophobicContact CD1-CD 4.37Å; L197-K199 PolarHBondContact O-N 2.92Å
198G92Very high90.6Very high47 Ų4797.7 Ų97.749%0.48545%0.453SS..THydrogen-bonded Turntrans60.622.3-172.400000113.9N194 F195 H200N194-G198 CarbonylContact O-C 3.5Å; N194-G198 WeakPolarHBondContact O-CA 3.32Å; N194-G198 PolarHBondContact O-N 3.06Å; F195-G198 PolarHBondContact O-N 3.41Å; G198-H200 PolarHBondContact O-N 3.22Å; G198-H200 VanDerWaalsContact O-N 3.16Å; G198-H200 PolarHBondContact O-ND1 2.67Å
199K91.8Very high91Very high107 Ų107101.9 Ų101.947%0.46549%0.486SS..  trans-77.4102.9178.4-69-170.6177.5-163.60109.6N194 L197N194-K199 HydrophobicContact CB-CB 4.25Å; N194-K199 WeakPolarHBondContact CB-O 3.4Å; N194-K199 PolarHBondContact O-N 3.32Å; L197-K199 HydrophobicContact CB-CD 4.45Å; L197-K199 HydrophobicContact CB-CG 3.96Å; L197-K199 HydrophobicContact CD1-CD 4.37Å; L197-K199 PolarHBondContact O-N 2.92Å
200H89.6Confident91.3Very high137 Ų137102.1 Ų102.163%0.63449%0.493SS*.  trans-141.2166.4-179.465.9-76.1000111.1G198G198-H200 PolarHBondContact O-N 3.22Å; G198-H200 VanDerWaalsContact O-N 3.16Å; G198-H200 PolarHBondContact O-ND1 2.67Å
201R88.5Confident91.8Very high208 Ų208102.8 Ų102.879%0.78550%0.501SS*.  trans-116.9131.3171.7-69.2-179.867.3-157.1-0108.4
202I89.1Confident92.2Very high130 Ų130104.1 Ų104.167%0.66751%0.512SS*.  trans-94.8127.5178.8-59173.1000108.6K204I202-K204 HydrophobicContact CG2-CG 4.33Å
203R89.2Confident92.6Very high81 Ų81102.3 Ų102.331%0.30651%0.505SS..  trans-122.7127.9168-165.9166.481.1179.113.3108.6F205 N235 I236 T238R203-F205 HydrophobicContact CG-CE2 4.47Å; R203-F205 HydrophobicContact CG-CZ 4.37Å; R203-F205 VanDerWaalsContact CZ-CZ 3.46Å; R203-F205 VanDerWaalsContact NE-CE1 3.35Å; R203-N235 PolarHBondContact NH2-O 2.84Å; R203-I236 PolarHBondContact NH1-O 2.84Å; R203-I236 PolarHBondContact NH2-O 2.65Å; R203-T238 PolarHBondContact NH1-O 2.79Å; R203-T238 PolarHBondContact NH2-O 3.31Å
204K91Very high92.9Very high155 Ų15596.3 Ų96.367%0.67449%0.486SS*.  trans-101.6128.4179-62.1-175-179.7-176.80109.3I202I202-K204 HydrophobicContact CG2-CG 4.33Å
205F92.2Very high93.1Very high59 Ų5999.5 Ų99.526%0.25950%0.501SS..  trans-109.6123.6176.2-60.4-87.1000108.8R203 I222 W234 K241R203-F205 HydrophobicContact CG-CE2 4.47Å; R203-F205 HydrophobicContact CG-CZ 4.37Å; R203-F205 VanDerWaalsContact CZ-CZ 3.46Å; R203-F205 VanDerWaalsContact NE-CE1 3.35Å; F205-I222 HydrophobicContact CE2-CD1 3.8Å; F205-I222 HydrophobicContact CZ-CD1 3.69Å; F205-W234 HydrophobicContact CB-CD2 4.03Å; F205-W234 HydrophobicContact CB-CE3 3.68Å; F205-W234 HydrophobicContact CB-CH2 4.06Å; F205-W234 HydrophobicContact CB-CZ2 4.38Å; F205-W234 HydrophobicContact CB-CZ3 3.7Å; F205-W234 HydrophobicContact CD1-CB 4.11Å; F205-W234 HydrophobicContact CD1-CD2 4.07Å; F205-W234 AromaticContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CG 4.24Å; F205-W234 HydrophobicContact CD1-CZ3 4.49Å; F205-W234 HydrophobicContact CE1-CB 4Å; F205-W234 HydrophobicContact CG-CD2 4.23Å; F205-W234 HydrophobicContact CG-CE3 4.06Å; F205-K241 WeakPolarHBondContact CA-O 3.48Å
206N91.5Very high93.3Very high114 Ų11493.4 Ų93.461%0.6148%0.477SS*.  trans-111.4130-175.2-63.82.2000108.6K241N206-K241 PolarHBondContact N-O 2.89Å
207G91Very high93.3Very high31 Ų3186 Ų8632%0.3245%0.454SS..  trans171.4-37.3174.600000114.8R232G207-R232 PolarHBondContact O-NE 2.73Å; G207-R232 PolarHBondContact O-NH2 3.08Å
208H95.2Very high92.7Very high36 Ų3682.8 Ų82.817%0.16744%0.438CS..  trans-66.8139.1175.3-79.3-60.8000111.1V212 S224 S226 D228 T230 R232 W234H208-V212 HydrophobicContact CB-CG2 4.13Å; H208-S224 PolarHBondContact CD2-OG 3.35Å; H208-S224 PolarHBondContact NE2-O 3.16Å; H208-S224 PolarHBondContact NE2-OG 2.87Å; H208-S226 WeakPolarHBondContact CE1-CB 3.49Å; H208-S226 WeakPolarHBondContact ND1-CB 3.27Å; H208-S226 PolarHBondContact ND1-OG 3.48Å; H208-D228 VanDerWaalsContact CA-OD2 3.24Å; H208-D228 WeakPolarHBondContact CA-OD2 3.09Å; H208-D228 WeakPolarHBondContact CB-OD2 3.26Å; H208-D228 IonicContact CE1-OD1 3.43Å; H208-D228 IonicContact CE1-OD2 3.31Å; H208-D228 IonicContact CG-OD2 2.79Å; H208-D228 IonicContact ND1-OD1 3.76Å; H208-D228 PolarHBondContact ND1-OD1 2.82Å; H208-D228 IonicContact ND1-OD2 2.87Å; H208-D228 PolarHBondContact ND1-OD2 2.68Å; H208-T230 PolarHBondContact CE1-O 3.27Å; H208-T230 PolarHBondContact CE1-OG1 3.49Å; H208-T230 PolarHBondContact ND1-OG1 2.75Å; H208-R232 VanDerWaalsContact CE1-CG 3.49Å; H208-R232 WeakPolarHBondContact CE1-CG 3.29Å; H208-R232 WeakPolarHBondContact NE2-CB 3.49Å; H208-W234 AromaticContact CD2-CZ2 3.97Å
209S95.9Very high92.1Very high114 Ų11481.8 Ų81.880%0.79743%0.425SS*.SBendtrans-97.8-2.1176.156.10000112.6D228S209-D228 PolarHBondContact N-OD2 2.94Å; S209-D228 VanDerWaalsContact OG-CB 3.25Å; S209-D228 WeakPolarHBondContact OG-CB 3.11Å
210G96.2Very high91.6Very high29 Ų2978.4 Ų78.430%0.29941%0.409SS..SBendtrans-131.1178.4177.400000112.5V212 S226G210-V212 PolarHBondContact O-N 2.83Å; G210-S226 PolarHBondContact O-OG 3.24Å
211A97.5Very high91.4Very high55 Ų5571.9 Ų71.946%0.45538%0.379SS..  trans-63.7132.217700000111.2Y213 S226 A227A211-Y213 HydrophobicContact CB-CE1 4.46Å; A211-Y213 HydrophobicContact CB-CE2 4.5Å; A211-S226 CarbonylContact O-C 3.58Å; A211-S226 VanDerWaalsContact O-CA 3.29Å; A211-S226 WeakPolarHBondContact O-CA 3.31Å; A211-S226 PolarHBondContact O-OG 3.37Å; A211-A227 HydrophobicContact CB-CB 4.3Å; A211-A227 PolarHBondContact O-N 2.9Å
212V97.5Very high91.6Very high79 Ų7963.2 Ų63.248%0.47935%0.348SS..EExtended strand (participates in β ladder)trans-82.4116.7174.6-179.40000108.8H208 G210H208-V212 HydrophobicContact CB-CG2 4.13Å; G210-V212 PolarHBondContact O-N 2.83Å
213Y97.3Very high91.7Very high118 Ų11857 Ų5746%0.46332%0.317SS..EExtended strand (participates in β ladder)trans-94.3-29.7-177.3-69.1-66.6000113.4A211 G225 A227 A253 R255A211-Y213 HydrophobicContact CB-CE1 4.46Å; A211-Y213 HydrophobicContact CB-CE2 4.5Å; Y213-G225 PolarHBondContact N-O 3.44Å; Y213-A227 HydrophobicContact CD2-CB 4.35Å; Y213-A227 HydrophobicContact CE2-CB 3.46Å; Y213-A227 VanDerWaalsContact CE2-CB 3.46Å; Y213-A253 HydrophobicContact CD2-CB 4.42Å; Y213-A253 HydrophobicContact CE2-CB 4.05Å; Y213-R255 VanDerWaalsContact CZ-NH1 3.3Å
214C96.3Very high92.1Very high18 Ų1853.4 Ų53.412%0.12230%0.304CS..EExtended strand (participates in β ladder)trans-143.8151.9-175.255.30000111.7S224 G225 R255 C256 V257C214-S224 WeakPolarHBondContact O-CA 3.46Å; C214-G225 PolarHBondContact N-O 3Å; C214-G225 PolarHBondContact O-N 2.66Å; C214-G225 VanDerWaalsContact SG-CA 3.58Å; C214-R255 VanDerWaalsContact CB-O 3.31Å; C214-R255 WeakPolarHBondContact CB-O 3.45Å; C214-R255 VanDerWaalsContact SG-C 3.52Å; C214-C256 VanDerWaalsContact SG-CA 3.55Å; C214-C256 PolarHBondContact SG-N 3.31Å; C214-V257 HydrophobicContact CB-CG2 4.09Å
215I96.5Very high92.4Very high118 Ų11846 Ų4661%0.60527%0.272SS*.EExtended strand (participates in β ladder)trans-145.3141.7178.8-171.7168.6000108.9I222 V223I215-I222 HydrophobicContact CD1-CG2 3.57Å; I215-I222 HydrophobicContact CG1-CG2 3.67Å; I215-V223 CarbonylContact C-O 3.48Å; I215-V223 VanDerWaalsContact CA-O 3.26Å; I215-V223 WeakPolarHBondContact CA-O 3.33Å; I215-V223 WeakPolarHBondContact CG1-O 3Å
216D94.5Very high92.6Very high47 Ų4743.2 Ų43.225%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-141.1159.8166.1-164.211000109.5V223 V257 Q258 L259D216-V223 PolarHBondContact N-O 3.47Å; D216-V223 PolarHBondContact O-N 3.05Å; D216-V257 HydrophobicContact CB-CG2 4.11Å; D216-Q258 WeakPolarHBondContact OD2-CA 3.3Å; D216-L259 WeakPolarHBondContact OD2-CB 3.31Å; D216-L259 PolarHBondContact OD2-N 3.02Å
217C91.2Very high93Very high40 Ų4039.5 Ų39.527%0.2724%0.244SC..EExtended strand (participates in β ladder)trans-152.7152-178.858.60000113.6R221 I222 I236 I291C217-R221 VanDerWaalsContact CA-O 3.31Å; C217-R221 WeakPolarHBondContact CA-O 3.44Å; C217-R221 WeakPolarHBondContact CB-O 3.31Å; C217-I222 HydrophobicContact CB-CB 4.37Å; C217-I222 HydrophobicContact CB-CG1 4.08Å; C217-I222 HydrophobicContact CB-CG2 4.46Å; C217-I236 HydrophobicContact CB-CD1 4.34Å; C217-I291 HydrophobicContact CB-CD1 4.47Å; C217-I291 WeakPolarHBondContact SG-CD1 3.39Å
218D83.3Confident93.3Very high15 Ų1539.6 Ų39.68%0.0824%0.237CC..  trans-117.1-162.2170.968.721.4000110.3Y220 R221 I236 L259 I291D218-Y220 PolarHBondContact O-N 2.88Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.42Å; D218-Y220 PolarHBondContact OD1-N 3.27Å; D218-R221 PolarHBondContact N-O 3.2Å; D218-R221 PolarHBondContact OD1-N 2.91Å; D218-I236 WeakPolarHBondContact O-CD1 3.36Å; D218-L259 HydrophobicContact CB-CD1 4.31Å; D218-I291 WeakPolarHBondContact O-CG1 3.48Å
219A78.7Confident93.4Very high26 Ų2638.9 Ų38.922%0.21524%0.238CC..SBendtrans-75.9-5.6178.800000114.7
220Y81.8Confident93.4Very high36 Ų3634.1 Ų34.114%0.14120%0.204CC..SBendtrans-127.7-32.8-170.2-60.9-99.7000112.8D218 I236 R237 P313 P314D218-Y220 PolarHBondContact O-N 2.88Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.42Å; D218-Y220 PolarHBondContact OD1-N 3.27Å; Y220-I236 PolarHBondContact O-N 3.04Å; Y220-R237 VanDerWaalsContact CZ-NH2 3.25Å; Y220-P313 HydrophobicContact CD1-CB 3.81Å; Y220-P313 HydrophobicContact CD1-CG 4.1Å; Y220-P313 HydrophobicContact CE1-CB 4.46Å; Y220-P313 HydrophobicContact CG-CB 3.96Å; Y220-P314 HydrophobicContact CD2-CG 4.48Å; Y220-P314 HydrophobicContact CE2-CG 4.14Å
221R84.9Confident93.3Very high0 Ų032.8 Ų32.80%019%0.19CC..EExtended strand (participates in β ladder)trans-137.8144.5-165.1-38.9-178.4-162.7-144.517.7111C217 D218 V233 W234 I236 P314 L332 A334 W338C217-R221 VanDerWaalsContact CA-O 3.31Å; C217-R221 WeakPolarHBondContact CA-O 3.44Å; C217-R221 WeakPolarHBondContact CB-O 3.31Å; D218-R221 PolarHBondContact N-O 3.2Å; D218-R221 PolarHBondContact OD1-N 2.91Å; R221-V233 HydrophobicContact CB-CG1 4.11Å; R221-W234 CarbonylContact C-O 3.55Å; R221-W234 WeakPolarHBondContact CA-O 3.37Å; R221-I236 WeakPolarHBondContact O-CD1 3.24Å; R221-P314 PolarHBondContact NH2-O 3.04Å; R221-L332 PolarHBondContact NH2-O 2.94Å; R221-A334 VanDerWaalsContact NH2-CB 3.28Å; R221-W338 HydrophobicContact CG-CH2 3.96Å
222I92.1Very high93.2Very high27 Ų2732.5 Ų32.514%0.13818%0.177CC..EExtended strand (participates in β ladder)trans-108140.4162.7-53.4179.6000106.4F205 I215 C217 V233 W234 I236F205-I222 HydrophobicContact CE2-CD1 3.8Å; F205-I222 HydrophobicContact CZ-CD1 3.69Å; I215-I222 HydrophobicContact CD1-CG2 3.57Å; I215-I222 HydrophobicContact CG1-CG2 3.67Å; C217-I222 HydrophobicContact CB-CB 4.37Å; C217-I222 HydrophobicContact CB-CG1 4.08Å; C217-I222 HydrophobicContact CB-CG2 4.46Å; I222-V233 CarbonylContact O-C 3.56Å; I222-V233 WeakPolarHBondContact O-CA 3.46Å; I222-W234 HydrophobicContact CB-CB 4.13Å; I222-W234 HydrophobicContact CB-CG 4.36Å; I222-W234 PolarHBondContact N-O 3.09Å; I222-W234 VanDerWaalsContact O-CD1 3.25Å; I222-W234 PolarHBondContact O-N 3.35Å; I222-I236 HydrophobicContact CD1-CG1 4.05Å; I222-I236 HydrophobicContact CG1-CD1 3.78Å; I222-I236 HydrophobicContact CG1-CG1 3.44Å; I222-I236 VanDerWaalsContact CG1-CG1 3.44Å
223V93Very high92.9Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-121.5131.5173.51800000108.5I215 D216 I231 R232 V233 V257 L259 L318 L332I215-V223 CarbonylContact C-O 3.48Å; I215-V223 VanDerWaalsContact CA-O 3.26Å; I215-V223 WeakPolarHBondContact CA-O 3.33Å; I215-V223 WeakPolarHBondContact CG1-O 3Å; D216-V223 PolarHBondContact N-O 3.47Å; D216-V223 PolarHBondContact O-N 3.05Å; V223-I231 HydrophobicContact CG1-CG2 3.28Å; V223-R232 CarbonylContact C-O 3.59Å; V223-R232 WeakPolarHBondContact CA-O 3.45Å; V223-V233 HydrophobicContact CG2-CG1 4.25Å; V223-V233 HydrophobicContact CG2-CG2 4.24Å; V223-V257 HydrophobicContact CG1-CB 4.5Å; V223-V257 HydrophobicContact CG1-CG1 4.46Å; V223-V257 HydrophobicContact CG1-CG2 4.49Å; V223-L259 HydrophobicContact CG2-CD1 3.95Å; V223-L259 HydrophobicContact CG2-CD2 3.97Å; V223-L259 HydrophobicContact CG2-CG 4.16Å; V223-L318 HydrophobicContact CB-CD1 4.49Å; V223-L318 HydrophobicContact CG1-CD1 3.86Å; V223-L318 HydrophobicContact CG1-CD2 3.84Å; V223-L332 HydrophobicContact CG2-CD1 4.17Å
224S96.4Very high92.6Very high5 Ų523.5 Ų23.54%0.03513%0.134CC..EExtended strand (participates in β ladder)trans-128.9133.4178.357.80000111.5H208 C214 I231 R232 W234H208-S224 PolarHBondContact CD2-OG 3.35Å; H208-S224 PolarHBondContact NE2-O 3.16Å; H208-S224 PolarHBondContact NE2-OG 2.87Å; C214-S224 WeakPolarHBondContact O-CA 3.46Å; S224-I231 CarbonylContact O-C 3.56Å; S224-I231 VanDerWaalsContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CG2 3.42Å; S224-R232 PolarHBondContact N-O 3.31Å; S224-R232 PolarHBondContact O-N 3.48Å; S224-W234 PolarHBondContact OG-NE1 2.59Å
225G96.9Very high92.1Very high0 Ų024 Ų240%014%0.135CC..EExtended strand (participates in β ladder)trans-106.2141.617300000111.6Y213 C214Y213-G225 PolarHBondContact N-O 3.44Å; C214-G225 PolarHBondContact N-O 3Å; C214-G225 PolarHBondContact O-N 2.66Å; C214-G225 VanDerWaalsContact SG-CA 3.58Å
226S98.1Very high91.4Very high0 Ų020 Ų200%012%0.115CC..EExtended strand (participates in β ladder)trans-135.6164.1-166.4171.60000113.9H208 G210 A211 D228 A229 T230 A253 V254H208-S226 WeakPolarHBondContact CE1-CB 3.49Å; H208-S226 WeakPolarHBondContact ND1-CB 3.27Å; H208-S226 PolarHBondContact ND1-OG 3.48Å; G210-S226 PolarHBondContact O-OG 3.24Å; A211-S226 CarbonylContact O-C 3.58Å; A211-S226 VanDerWaalsContact O-CA 3.29Å; A211-S226 WeakPolarHBondContact O-CA 3.31Å; A211-S226 PolarHBondContact O-OG 3.37Å; S226-D228 VanDerWaalsContact CB-OD1 3.23Å; S226-D228 WeakPolarHBondContact CB-OD1 3.23Å; S226-D228 PolarHBondContact O-N 2.8Å; S226-D228 PolarHBondContact OG-N 3.21Å; S226-D228 PolarHBondContact OG-OD1 3.37Å; S226-D228 PolarHBondContact OG-OD2 2.85Å; S226-A229 PolarHBondContact O-N 3.34Å; S226-T230 PolarHBondContact N-O 3.46Å; S226-A253 WeakPolarHBondContact O-CA 3.46Å; S226-V254 PolarHBondContact O-N 3.2Å
227A98.1Very high90.8Very high36 Ų3623.7 Ų23.730%0.29813%0.125SC..THydrogen-bonded Turntrans-59.7-21.9169.200000113.7A211 Y213 A229A211-A227 HydrophobicContact CB-CB 4.3Å; A211-A227 PolarHBondContact O-N 2.9Å; Y213-A227 HydrophobicContact CD2-CB 4.35Å; Y213-A227 HydrophobicContact CE2-CB 3.46Å; Y213-A227 VanDerWaalsContact CE2-CB 3.46Å; A227-A229 PolarHBondContact O-N 2.74Å; A227-A229 VanDerWaalsContact O-N 3.12Å
228D97.5Very high90.2Very high32 Ų3224.5 Ų24.517%0.17113%0.129CC..THydrogen-bonded Turntrans-76.213.8177.36226.2000114.2H208 S209 S226 T230H208-D228 VanDerWaalsContact CA-OD2 3.24Å; H208-D228 WeakPolarHBondContact CA-OD2 3.09Å; H208-D228 WeakPolarHBondContact CB-OD2 3.26Å; H208-D228 IonicContact CE1-OD1 3.43Å; H208-D228 IonicContact CE1-OD2 3.31Å; H208-D228 IonicContact CG-OD2 2.79Å; H208-D228 IonicContact ND1-OD1 3.76Å; H208-D228 PolarHBondContact ND1-OD1 2.82Å; H208-D228 IonicContact ND1-OD2 2.87Å; H208-D228 PolarHBondContact ND1-OD2 2.68Å; S209-D228 PolarHBondContact N-OD2 2.94Å; S209-D228 VanDerWaalsContact OG-CB 3.25Å; S209-D228 WeakPolarHBondContact OG-CB 3.11Å; S226-D228 VanDerWaalsContact CB-OD1 3.23Å; S226-D228 WeakPolarHBondContact CB-OD1 3.23Å; S226-D228 PolarHBondContact O-N 2.8Å; S226-D228 PolarHBondContact OG-N 3.21Å; S226-D228 PolarHBondContact OG-OD1 3.37Å; S226-D228 PolarHBondContact OG-OD2 2.85Å; D228-T230 VanDerWaalsContact CG-OG1 3.31Å; D228-T230 WeakPolarHBondContact O-CG2 3.33Å; D228-T230 PolarHBondContact O-N 2.94Å; D228-T230 VanDerWaalsContact O-N 3.13Å; D228-T230 WeakPolarHBondContact OD1-CA 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.23Å; D228-T230 PolarHBondContact OD1-N 2.84Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å
229A97Very high90Very high21 Ų2129.9 Ų29.917%0.17416%0.158CC..SBendtrans58.916.6-176.200000114.8S226 A227 D252S226-A229 PolarHBondContact O-N 3.34Å; A227-A229 PolarHBondContact O-N 2.74Å; A227-A229 VanDerWaalsContact O-N 3.12Å; A229-D252 WeakPolarHBondContact CA-O 3.39Å; A229-D252 VanDerWaalsContact CB-O 3.3Å; A229-D252 WeakPolarHBondContact CB-O 3.46Å
230T96Very high90.1Very high15 Ų1529.3 Ų29.39%0.09215%0.153CC..EExtended strand (participates in β ladder)trans-114.7156.517876.10000112.9H208 S226 D228 T246 L247 R248H208-T230 PolarHBondContact CE1-O 3.27Å; H208-T230 PolarHBondContact CE1-OG1 3.49Å; H208-T230 PolarHBondContact ND1-OG1 2.75Å; S226-T230 PolarHBondContact N-O 3.46Å; D228-T230 VanDerWaalsContact CG-OG1 3.31Å; D228-T230 WeakPolarHBondContact O-CG2 3.33Å; D228-T230 PolarHBondContact O-N 2.94Å; D228-T230 VanDerWaalsContact O-N 3.13Å; D228-T230 WeakPolarHBondContact OD1-CA 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.23Å; D228-T230 PolarHBondContact OD1-N 2.84Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å; T230-T246 HydrophobicContact CG2-CG2 3.93Å; T230-L247 WeakPolarHBondContact CA-O 3.43Å; T230-R248 HydrophobicContact CG2-CG 4.14Å
231I95.6Very high90.2Very high1 Ų134 Ų341%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-113.8125.9168.4-52.3170.7000107.8V223 S224 T246 L247 V254 V257 L318 S320 W330V223-I231 HydrophobicContact CG1-CG2 3.28Å; S224-I231 CarbonylContact O-C 3.56Å; S224-I231 VanDerWaalsContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CG2 3.42Å; I231-T246 CarbonylContact O-C 3.5Å; I231-T246 WeakPolarHBondContact O-CA 3.34Å; I231-L247 HydrophobicContact CB-CB 4.1Å; I231-L247 HydrophobicContact CB-CD1 4.24Å; I231-L247 HydrophobicContact CB-CG 4.37Å; I231-L247 HydrophobicContact CG2-CD1 4.28Å; I231-L247 PolarHBondContact N-O 2.78Å; I231-L247 PolarHBondContact O-N 2.82Å; I231-V254 HydrophobicContact CD1-CG1 4.2Å; I231-V254 HydrophobicContact CD1-CG2 4.43Å; I231-V254 HydrophobicContact CG1-CB 4.32Å; I231-V254 HydrophobicContact CG1-CG1 4Å; I231-V254 HydrophobicContact CG1-CG2 3.83Å; I231-V257 HydrophobicContact CD1-CG1 4.37Å; I231-V257 HydrophobicContact CG2-CG1 4.37Å; I231-L318 HydrophobicContact CD1-CD2 4.45Å; I231-L318 HydrophobicContact CG2-CD2 4.15Å; I231-S320 WeakPolarHBondContact CD1-OG 3.49Å; I231-W330 HydrophobicContact CD1-CZ2 3.97Å
232R93.8Very high90.1Very high48 Ų4842.6 Ų42.618%0.18121%0.207CC..EExtended strand (participates in β ladder)trans-105.4139.7176.3-73.2-179177.1-101.72.7111.4G207 H208 V223 S224 W234 S243 Q245 T246G207-R232 PolarHBondContact O-NE 2.73Å; G207-R232 PolarHBondContact O-NH2 3.08Å; H208-R232 VanDerWaalsContact CE1-CG 3.49Å; H208-R232 WeakPolarHBondContact CE1-CG 3.29Å; H208-R232 WeakPolarHBondContact NE2-CB 3.49Å; V223-R232 CarbonylContact C-O 3.59Å; V223-R232 WeakPolarHBondContact CA-O 3.45Å; S224-R232 PolarHBondContact N-O 3.31Å; S224-R232 PolarHBondContact O-N 3.48Å; R232-W234 HydrophobicContact CB-CH2 4.22Å; R232-W234 HydrophobicContact CB-CZ2 3.45Å; R232-W234 VanDerWaalsContact CB-CZ2 3.45Å; R232-W234 HydrophobicContact CG-CZ2 4.13Å; R232-W234 PolarHBondContact O-NE1 3.42Å; R232-S243 PolarHBondContact NH1-OG 2.94Å; R232-Q245 WeakPolarHBondContact CA-O 3.34Å; R232-T246 HydrophobicContact CG-CG2 4.17Å; R232-T246 PolarHBondContact NH1-OG1 3.43Å
233V92.3Very high89.7Confident0 Ų042.1 Ų42.10%021%0.206CC..EExtended strand (participates in β ladder)trans-109.6127.6174.8-169.10000108.9R221 I222 V223 S243 V244 Q245 L247 L332 W338R221-V233 HydrophobicContact CB-CG1 4.11Å; I222-V233 CarbonylContact O-C 3.56Å; I222-V233 WeakPolarHBondContact O-CA 3.46Å; V223-V233 HydrophobicContact CG2-CG1 4.25Å; V223-V233 HydrophobicContact CG2-CG2 4.24Å; V233-S243 CarbonylContact O-C 3.5Å; V233-S243 WeakPolarHBondContact O-CA 3.19Å; V233-S243 WeakPolarHBondContact O-CB 3.36Å; V233-V244 PolarHBondContact O-N 2.66Å; V233-Q245 HydrophobicContact CB-CB 4.26Å; V233-Q245 HydrophobicContact CG2-CB 4.49Å; V233-Q245 PolarHBondContact N-O 2.82Å; V233-Q245 PolarHBondContact O-N 2.73Å; V233-L247 HydrophobicContact CG2-CD1 4.32Å; V233-L247 HydrophobicContact CG2-CG 4.4Å; V233-L332 HydrophobicContact CG2-CD1 4.48Å; V233-W338 HydrophobicContact CB-CZ3 4.48Å; V233-W338 HydrophobicContact CG1-CH2 4.23Å; V233-W338 HydrophobicContact CG1-CZ3 3.74Å
234W90.5Very high89.4Confident9 Ų944.5 Ų44.53%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-119.5140.8-176.8-38.386.1000108.9F205 H208 R221 I222 S224 R232 S243F205-W234 HydrophobicContact CB-CD2 4.03Å; F205-W234 HydrophobicContact CB-CE3 3.68Å; F205-W234 HydrophobicContact CB-CH2 4.06Å; F205-W234 HydrophobicContact CB-CZ2 4.38Å; F205-W234 HydrophobicContact CB-CZ3 3.7Å; F205-W234 HydrophobicContact CD1-CB 4.11Å; F205-W234 HydrophobicContact CD1-CD2 4.07Å; F205-W234 AromaticContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CG 4.24Å; F205-W234 HydrophobicContact CD1-CZ3 4.49Å; F205-W234 HydrophobicContact CE1-CB 4Å; F205-W234 HydrophobicContact CG-CD2 4.23Å; F205-W234 HydrophobicContact CG-CE3 4.06Å; H208-W234 AromaticContact CD2-CZ2 3.97Å; R221-W234 CarbonylContact C-O 3.55Å; R221-W234 WeakPolarHBondContact CA-O 3.37Å; I222-W234 HydrophobicContact CB-CB 4.13Å; I222-W234 HydrophobicContact CB-CG 4.36Å; I222-W234 PolarHBondContact N-O 3.09Å; I222-W234 VanDerWaalsContact O-CD1 3.25Å; I222-W234 PolarHBondContact O-N 3.35Å; S224-W234 PolarHBondContact OG-NE1 2.59Å; R232-W234 HydrophobicContact CB-CH2 4.22Å; R232-W234 HydrophobicContact CB-CZ2 3.45Å; R232-W234 VanDerWaalsContact CB-CZ2 3.45Å; R232-W234 HydrophobicContact CG-CZ2 4.13Å; R232-W234 PolarHBondContact O-NE1 3.42Å; W234-S243 VanDerWaalsContact CE3-N 3.31Å
235N85.4Confident88.9Confident28 Ų2845.9 Ų45.915%0.1523%0.226CC..EExtended strand (participates in β ladder)trans-87.8125.9175.9-178-30.4000109.9R203 R237 T238 V244R203-N235 PolarHBondContact NH2-O 2.84Å; N235-R237 WeakPolarHBondContact OD1-CA 3.49Å; N235-R237 WeakPolarHBondContact OD1-CB 3.49Å; N235-R237 PolarHBondContact OD1-N 3.19Å; N235-T238 HydrophobicContact CB-CG2 4.28Å; N235-T238 WeakPolarHBondContact CB-OG1 3.39Å; N235-T238 PolarHBondContact OD1-N 3.41Å; N235-T238 VanDerWaalsContact OD1-N 3.09Å; N235-V244 HydrophobicContact CB-CG2 3.58Å
236I82.9Confident88.7Confident33 Ų3348 Ų4817%0.16924%0.239CC..SBendtrans-70.5-39.8-179.3-68.9173000110.5R203 C217 D218 Y220 R221 I222R203-I236 PolarHBondContact NH1-O 2.84Å; R203-I236 PolarHBondContact NH2-O 2.65Å; C217-I236 HydrophobicContact CB-CD1 4.34Å; D218-I236 WeakPolarHBondContact O-CD1 3.36Å; Y220-I236 PolarHBondContact O-N 3.04Å; R221-I236 WeakPolarHBondContact O-CD1 3.24Å; I222-I236 HydrophobicContact CD1-CG1 4.05Å; I222-I236 HydrophobicContact CG1-CD1 3.78Å; I222-I236 HydrophobicContact CG1-CG1 3.44Å; I222-I236 VanDerWaalsContact CG1-CG1 3.44Å
237R81.2Confident88.4Confident125 Ų12548.3 Ų48.347%0.47224%0.241SC..SBendtrans-76.9-31.5-172.5-61.8-175.7178.2-177-5112.8Y220 N235Y220-R237 VanDerWaalsContact CZ-NH2 3.25Å; N235-R237 WeakPolarHBondContact OD1-CA 3.49Å; N235-R237 WeakPolarHBondContact OD1-CB 3.49Å; N235-R237 PolarHBondContact OD1-N 3.19Å
238T79.4Confident88.2Confident58 Ų5855.9 Ų55.936%0.35626%0.262SS..SBendtrans-79.1147.7173.166.80000110.1R203 N235 A240R203-T238 PolarHBondContact NH1-O 2.79Å; R203-T238 PolarHBondContact NH2-O 3.31Å; N235-T238 HydrophobicContact CB-CG2 4.28Å; N235-T238 WeakPolarHBondContact CB-OG1 3.39Å; N235-T238 PolarHBondContact OD1-N 3.41Å; N235-T238 VanDerWaalsContact OD1-N 3.09Å; T238-A240 PolarHBondContact O-N 2.82Å; T238-A240 WeakPolarHBondContact OG1-CB 3.42Å
239N77.9Confident87.9Confident127 Ų12756.4 Ų56.468%0.67928%0.275SS*.  trans-82.516.8170.7-157.625.5000112.1
240A81Confident87.8Confident15 Ų1556.1 Ų56.112%0.12427%0.27CS..  trans-66.8134.3-179.800000109.8T238 W242T238-A240 PolarHBondContact O-N 2.82Å; T238-A240 WeakPolarHBondContact OG1-CB 3.42Å; A240-W242 HydrophobicContact CB-CD2 4.11Å; A240-W242 HydrophobicContact CB-CH2 4.47Å; A240-W242 HydrophobicContact CB-CZ2 4Å
241K83.8Confident87.8Confident134 Ų13460.5 Ų60.558%0.58330%0.301SS*.SBendtrans-89.7-15.6178-63.6-179.7-177.8173.50112.8F205 N206F205-K241 WeakPolarHBondContact CA-O 3.48Å; N206-K241 PolarHBondContact N-O 2.89Å
242W83.7Confident87.9Confident181 Ų18164 Ų6469%0.68632%0.32SS*.SBendtrans-92.1155.8178.354.789.9000110.8A240A240-W242 HydrophobicContact CB-CD2 4.11Å; A240-W242 HydrophobicContact CB-CH2 4.47Å; A240-W242 HydrophobicContact CB-CZ2 4Å
243S84.2Confident88.1Confident16 Ų1662 Ų6211%0.11231%0.313CS..  trans-68.2137.717461.40000109.2R232 V233 W234 Q245R232-S243 PolarHBondContact NH1-OG 2.94Å; V233-S243 CarbonylContact O-C 3.5Å; V233-S243 WeakPolarHBondContact O-CA 3.19Å; V233-S243 WeakPolarHBondContact O-CB 3.36Å; W234-S243 VanDerWaalsContact CE3-N 3.31Å; S243-Q245 WeakPolarHBondContact CB-O 3.48Å; S243-Q245 PolarHBondContact O-N 3.36Å
244V85.5Confident88.4Confident51 Ų5162 Ų6231%0.30931%0.313SS..SBendtrans-65.3-31.1167.8-178.40000109.8V233 N235 W338V233-V244 PolarHBondContact O-N 2.66Å; N235-V244 HydrophobicContact CB-CG2 3.58Å; V244-W338 HydrophobicContact CB-CE3 4.5Å; V244-W338 HydrophobicContact CG1-CB 4.37Å; V244-W338 HydrophobicContact CG1-CD2 3.44Å; V244-W338 VanDerWaalsContact CG1-CD2 3.44Å; V244-W338 HydrophobicContact CG1-CE3 3.75Å; V244-W338 HydrophobicContact CG1-CG 3.72Å; V244-W338 HydrophobicContact CG1-CH2 4.4Å; V244-W338 HydrophobicContact CG1-CZ2 4.18Å; V244-W338 HydrophobicContact CG1-CZ3 4.2Å
245Q86.6Confident88.7Confident34 Ų3465.1 Ų65.116%0.15933%0.325CS..EExtended strand (participates in β ladder)trans-152.7153.6-178.5-159.2152.33.900113.1R232 V233 S243 L247 W338R232-Q245 WeakPolarHBondContact CA-O 3.34Å; V233-Q245 HydrophobicContact CB-CB 4.26Å; V233-Q245 HydrophobicContact CG2-CB 4.49Å; V233-Q245 PolarHBondContact N-O 2.82Å; V233-Q245 PolarHBondContact O-N 2.73Å; S243-Q245 WeakPolarHBondContact CB-O 3.48Å; S243-Q245 PolarHBondContact O-N 3.36Å; Q245-L247 HydrophobicContact CG-CD2 4.02Å; Q245-W338 PolarHBondContact NE2-O 3.43Å; Q245-W338 PolarHBondContact OE1-O 2.94Å; Q245-W338 VanDerWaalsContact OE1-O 3.14Å
246T91.7Very high89.3Confident44 Ų4464.3 Ų64.327%0.2732%0.321SS..EExtended strand (participates in β ladder)trans-125.8113.5171.9-55.80000108.3T230 I231 R232 R248T230-T246 HydrophobicContact CG2-CG2 3.93Å; I231-T246 CarbonylContact O-C 3.5Å; I231-T246 WeakPolarHBondContact O-CA 3.34Å; R232-T246 HydrophobicContact CG-CG2 4.17Å; R232-T246 PolarHBondContact NH1-OG1 3.43Å; T246-R248 HydrophobicContact CG2-CG 4.37Å
247L92.9Very high89.9Confident6 Ų663.5 Ų63.53%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-86125.9176-43.8179.5000108.5T230 I231 V233 Q245 L318 W330 L332 I341T230-L247 WeakPolarHBondContact CA-O 3.43Å; I231-L247 HydrophobicContact CB-CB 4.1Å; I231-L247 HydrophobicContact CB-CD1 4.24Å; I231-L247 HydrophobicContact CB-CG 4.37Å; I231-L247 HydrophobicContact CG2-CD1 4.28Å; I231-L247 PolarHBondContact N-O 2.78Å; I231-L247 PolarHBondContact O-N 2.82Å; V233-L247 HydrophobicContact CG2-CD1 4.32Å; V233-L247 HydrophobicContact CG2-CG 4.4Å; Q245-L247 HydrophobicContact CG-CD2 4.02Å; L247-L318 HydrophobicContact CD1-CD2 3.69Å; L247-W330 HydrophobicContact CB-CD2 4.43Å; L247-W330 HydrophobicContact CB-CE3 3.9Å; L247-W330 HydrophobicContact CB-CH2 4.11Å; L247-W330 HydrophobicContact CB-CZ3 3.73Å; L247-W330 HydrophobicContact CD1-CB 4.26Å; L247-W330 HydrophobicContact CD1-CD2 3.92Å; L247-W330 HydrophobicContact CD1-CE3 3.96Å; L247-W330 HydrophobicContact CD1-CG 4.06Å; L247-W330 HydrophobicContact CG-CE3 4.36Å; L247-L332 HydrophobicContact CD1-CD2 3.92Å; L247-I341 HydrophobicContact CD1-CG2 4.32Å; L247-I341 HydrophobicContact CD2-CB 4.07Å; L247-I341 HydrophobicContact CD2-CG2 3.41Å; L247-I341 VanDerWaalsContact CD2-CG2 3.41Å
248R93.2Very high90.5Very high196 Ų19658.6 Ų58.674%0.7430%0.3SS*.EExtended strand (participates in β ladder)trans-119.6141.7177.8-62.3-175.7177-146.4-0.9108.3T230 T246T230-R248 HydrophobicContact CG2-CG 4.14Å; T246-R248 HydrophobicContact CG2-CG 4.37Å
249G91.7Very high91.1Very high43 Ų4356.8 Ų56.844%0.44329%0.288SS..  trans158.4-21.5179.100000113.9K328G249-K328 WeakPolarHBondContact O-CE 3.45Å; G249-K328 PolarHBondContact O-NZ 2.79Å
250H95.6Very high91.5Very high15 Ų1551.8 Ų51.87%0.06926%0.261CS..  trans-74.7145.9163.2-77.6-62.2000110.2V254 S320 S322 D324 T326H250-V254 HydrophobicContact CB-CG2 4.19Å; H250-S320 PolarHBondContact NE2-OG 3.17Å; H250-S322 WeakPolarHBondContact CE1-CB 3.5Å; H250-S322 WeakPolarHBondContact ND1-CB 3.22Å; H250-D324 WeakPolarHBondContact CA-OD2 3.47Å; H250-D324 VanDerWaalsContact CB-OD2 3.27Å; H250-D324 WeakPolarHBondContact CB-OD2 3.47Å; H250-D324 IonicContact CE1-OD1 2.78Å; H250-D324 IonicContact CE1-OD2 3.25Å; H250-D324 IonicContact CG-OD2 2.97Å; H250-D324 IonicContact ND1-OD1 3.39Å; H250-D324 PolarHBondContact ND1-OD1 3Å; H250-D324 IonicContact ND1-OD2 2.68Å; H250-D324 PolarHBondContact ND1-OD2 3.45Å; H250-T326 PolarHBondContact CE1-OG1 2.74Å; H250-T326 PolarHBondContact ND1-OG1 2.78Å
251S95.7Very high91.2Very high106 Ų10654.7 Ų54.774%0.74128%0.281SS*.SBendtrans-97.3-8.3178.154.90000113.1D324S251-D324 PolarHBondContact N-OD2 2.89Å; S251-D324 WeakPolarHBondContact OG-CB 3.31Å
252D97.1Very high90.4Very high76 Ų7652 Ų5241%0.40627%0.272SS..SBendtrans-143.6-179.4176.9-159.3-6.2000109.7A229 S322 A323 D324A229-D252 WeakPolarHBondContact CA-O 3.39Å; A229-D252 VanDerWaalsContact CB-O 3.3Å; A229-D252 WeakPolarHBondContact CB-O 3.46Å; D252-S322 PolarHBondContact O-OG 2.88Å; D252-A323 HydrophobicContact CB-CB 4.01Å; D252-A323 VanDerWaalsContact OD2-CB 3.29Å; D252-A323 WeakPolarHBondContact OD2-CB 3.48Å; D252-D324 HydrophobicContact CB-CB 4Å
253A97.8Very high89.1Confident4 Ų447.8 Ų47.83%0.03327%0.268CS..  trans-60.3132-171.400000114.1Y213 S226 R255 S322 A323Y213-A253 HydrophobicContact CD2-CB 4.42Å; Y213-A253 HydrophobicContact CE2-CB 4.05Å; S226-A253 WeakPolarHBondContact O-CA 3.46Å; A253-R255 PolarHBondContact O-N 2.85Å; A253-S322 WeakPolarHBondContact O-CA 3.43Å; A253-S322 PolarHBondContact O-OG 2.76Å; A253-A323 PolarHBondContact O-N 3.37Å
254V98.1Very high87.2Confident0 Ų053.7 Ų53.70%029%0.294CS..EExtended strand (participates in β ladder)trans-81118.9178.2-173.20000109.8S226 I231 H250 V257S226-V254 PolarHBondContact O-N 3.2Å; I231-V254 HydrophobicContact CD1-CG1 4.2Å; I231-V254 HydrophobicContact CD1-CG2 4.43Å; I231-V254 HydrophobicContact CG1-CB 4.32Å; I231-V254 HydrophobicContact CG1-CG1 4Å; I231-V254 HydrophobicContact CG1-CG2 3.83Å; H250-V254 HydrophobicContact CB-CG2 4.19Å; V254-V257 HydrophobicContact CG1-CG1 3.95Å
255R97.8Very high85.1Confident76 Ų7660.4 Ų60.429%0.28732%0.315SS..EExtended strand (participates in β ladder)trans-100.4-29.5-171.3-71.3-73.1-173.7-92.3-9.2113.4Y213 C214 A253 G321 T353 V354Y213-R255 VanDerWaalsContact CZ-NH1 3.3Å; C214-R255 VanDerWaalsContact CB-O 3.31Å; C214-R255 WeakPolarHBondContact CB-O 3.45Å; C214-R255 VanDerWaalsContact SG-C 3.52Å; A253-R255 PolarHBondContact O-N 2.85Å; R255-G321 PolarHBondContact N-O 3.46Å; R255-T353 HydrophobicContact CG-CG2 3.84Å; R255-V354 VanDerWaalsContact CB-O 3.23Å; R255-V354 WeakPolarHBondContact CB-O 3.29Å
256C97.1Very high82.6Confident11 Ų1166.3 Ų66.37%0.07434%0.342CS..EExtended strand (participates in β ladder)trans-145.2146.4178.658.50000111.6C214 S320 G321 C356 V357C214-C256 VanDerWaalsContact SG-CA 3.55Å; C214-C256 PolarHBondContact SG-N 3.31Å; C256-S320 CarbonylContact O-C 3.5Å; C256-S320 VanDerWaalsContact O-CA 3.31Å; C256-S320 WeakPolarHBondContact O-CA 3.41Å; C256-G321 PolarHBondContact N-O 3.02Å; C256-G321 PolarHBondContact O-N 3.47Å; C256-G321 VanDerWaalsContact SG-CA 3.6Å; C256-C356 VanDerWaalsContact SG-CA 3.59Å; C256-V357 HydrophobicContact CB-CG1 4.1Å; C256-V357 PolarHBondContact SG-N 3.06Å
257V96.2Very high79.5Confident16 Ų1671 Ų7110%0.09737%0.365CS..EExtended strand (participates in β ladder)trans-138.1148.1175.2-69.50000109.7C214 D216 V223 I231 V254 L318 I319C214-V257 HydrophobicContact CB-CG2 4.09Å; D216-V257 HydrophobicContact CB-CG2 4.11Å; V223-V257 HydrophobicContact CG1-CB 4.5Å; V223-V257 HydrophobicContact CG1-CG1 4.46Å; V223-V257 HydrophobicContact CG1-CG2 4.49Å; I231-V257 HydrophobicContact CD1-CG1 4.37Å; I231-V257 HydrophobicContact CG2-CG1 4.37Å; V254-V257 HydrophobicContact CG1-CG1 3.95Å; V257-L318 HydrophobicContact CB-CD1 4.1Å; V257-I319 CarbonylContact C-O 3.56Å; V257-I319 VanDerWaalsContact CA-O 3.27Å; V257-I319 WeakPolarHBondContact CA-O 3.38Å
258Q94.6Very high76.4Confident22 Ų2276.5 Ų76.510%0.10340%0.395CS..EExtended strand (participates in β ladder)trans-146.4128.2173.6-176.9175.21200111.5D216 L318 I319 V357 Q358 V359D216-Q258 WeakPolarHBondContact OD2-CA 3.3Å; Q258-L318 WeakPolarHBondContact O-CA 3.36Å; Q258-I319 PolarHBondContact N-O 3.38Å; Q258-I319 PolarHBondContact O-N 3.21Å; Q258-V357 HydrophobicContact CB-CG1 3.9Å; Q258-Q358 VanDerWaalsContact OE1-C 3.3Å; Q258-V359 PolarHBondContact NE2-O 2.72Å
259L91Very high73.2Confident19 Ų1973.3 Ų73.310%0.09939%0.392CS..EExtended strand (participates in β ladder)trans-88.8134.8172.6-75.2169000111D216 D218 V223 V316 L318 L332D216-L259 WeakPolarHBondContact OD2-CB 3.31Å; D216-L259 PolarHBondContact OD2-N 3.02Å; D218-L259 HydrophobicContact CB-CD1 4.31Å; V223-L259 HydrophobicContact CG2-CD1 3.95Å; V223-L259 HydrophobicContact CG2-CD2 3.97Å; V223-L259 HydrophobicContact CG2-CG 4.16Å; L259-V316 HydrophobicContact CD2-CB 4.5Å; L259-V316 HydrophobicContact CD2-CG2 3.81Å; L259-L318 HydrophobicContact CD2-CB 4.17Å; L259-L318 HydrophobicContact CD2-CD1 4.08Å; L259-L318 HydrophobicContact CG-CD1 4.32Å; L259-L332 HydrophobicContact CD2-CD1 3.75Å
260L86.3Confident70.4Confident23 Ų2376.5 Ų76.512%0.1240%0.399CS..EExtended strand (participates in β ladder)trans-120.6112.7174.4-63.6166.1000108.6L262 V316 L317 I319 V359L260-L262 PolarHBondContact O-N 3.38Å; L260-V316 WeakPolarHBondContact O-CA 3.25Å; L260-V316 WeakPolarHBondContact O-CB 3.38Å; L260-L317 HydrophobicContact CB-CB 4.25Å; L260-L317 WeakPolarHBondContact CB-O 3.46Å; L260-L317 HydrophobicContact CD1-CD2 4.24Å; L260-L317 PolarHBondContact N-O 2.93Å; L260-L317 PolarHBondContact O-N 3.01Å; L260-I319 HydrophobicContact CD1-CD1 3.77Å; L260-I319 HydrophobicContact CD1-CG1 3.98Å; L260-V359 HydrophobicContact CD1-CB 3.92Å; L260-V359 HydrophobicContact CD1-CG1 3.75Å; L260-V359 HydrophobicContact CD1-CG2 4.01Å; L260-V359 HydrophobicContact CD2-CB 3.86Å; L260-V359 HydrophobicContact CD2-CG1 3.85Å; L260-V359 HydrophobicContact CG-CB 4.42Å; L260-V359 HydrophobicContact CG-CG1 4.45Å
261S75.1Confident67.3Low76 Ų7682.9 Ų82.953%0.53143%0.434SS..EExtended strand (participates in β ladder)trans-70.8119.2169.3-58.10000109.1
262L67.5Low64.3Low77 Ų7784.5 Ų84.540%0.40343%0.434SS..PPolyproline II helixtrans-75.1146.3172.2-63.3174.2000109.4L260 H264 L317L260-L262 PolarHBondContact O-N 3.38Å; L262-H264 PolarHBondContact O-N 3.36Å; L262-L317 HydrophobicContact CD2-CB 4.43Å
263P54.7Low61.4Low92 Ų9288.4 Ų88.460%0.59746%0.455SS*.PPolyproline II helixtrans-57.7124.7170-20.232.6000109.4Y265 P283P263-Y265 PolarHBondContact O-N 3.21Å; P263-Y265 VanDerWaalsContact O-N 3.17Å; P263-P283 HydrophobicContact CB-CG 4.37Å
264H45.8Very low58.1Low141 Ų14195.6 Ų95.665%0.65349%0.493SS*.  trans-77.6101.1170.1-168.976.7000107.9L262 Q266L262-H264 PolarHBondContact O-N 3.36Å; H264-Q266 PolarHBondContact O-N 2.88Å; H264-Q266 VanDerWaalsContact O-N 3.11Å
265Y40.6Very low55.1Low192 Ų192103.1 Ų103.175%0.75353%0.531SS*.  trans-70101.9166.6-115.9-90.9000107.1P263 L267P263-Y265 PolarHBondContact O-N 3.21Å; P263-Y265 VanDerWaalsContact O-N 3.17Å; Y265-L267 PolarHBondContact O-N 2.88Å
266Q34.6Very low51.7Low157 Ų157106 Ų10673%0.73455%0.553SS**  trans-66.5107162.6-70.2-172.6-27.600106.4H264 N268H264-Q266 PolarHBondContact O-N 2.88Å; H264-Q266 VanDerWaalsContact O-N 3.11Å; Q266-N268 PolarHBondContact O-N 3.34Å
267L27.2Very low48.2Very low142 Ų142108.7 Ų108.774%0.74358%0.582SS**  trans-60.9107.8167.8-148.192.2000106Y265 N269Y265-L267 PolarHBondContact O-N 2.88Å; L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.76Å
268N27.6Very low44.9Very low123 Ų123117.9 Ų117.966%0.65862%0.616SS**  trans-6894.8172.9-170.68.7000107Q266 N270Q266-N268 PolarHBondContact O-N 3.34Å; N268-N270 PolarHBondContact O-N 3.11Å; N268-N270 VanDerWaalsContact OD1-CG 3.32Å; N268-N270 PolarHBondContact OD1-ND2 3.24Å
269N25.9Very low41.7Very low128 Ų128121.2 Ų121.268%0.68464%0.641SS**  trans-70.866.3166.8-87.4-1.1000108.9L267L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.76Å
270N32.2Very low38.6Very low110 Ų110125.5 Ų125.559%0.58867%0.673SS**  trans-106.1106.5159.4-82.9-9.8000106.2N268 N272N268-N270 PolarHBondContact O-N 3.11Å; N268-N270 VanDerWaalsContact OD1-CG 3.32Å; N268-N270 PolarHBondContact OD1-ND2 3.24Å; N270-N272 PolarHBondContact O-N 3.06Å
271N30.7Very low35.7Very low150 Ų150129 Ų12980%0.80270%0.695SS**  trans-66.543.2175.4-75.5-15.9000113.2
272N32.9Very low33.4Very low140 Ų140129.9 Ų129.975%0.74970%0.701SS**  trans-113.6109.4172.1-71.6-7.8000107.6N270 N274N270-N272 PolarHBondContact O-N 3.06Å; N272-N274 PolarHBondContact O-N 2.86Å
273N35.4Very low31.6Very low158 Ų158129.5 Ų129.585%0.84570%0.703SS**  trans-56.265.2-177.9-64.2-25.7000114.2
274N28.6Very low30.3Very low155 Ų155130.2 Ų130.283%0.82971%0.706SS**  trans-118.1113.4163.4-101.3-11.5000108.9N272 D276N272-N274 PolarHBondContact O-N 2.86Å; N274-D276 PolarHBondContact O-N 3.45Å
275I34.8Very low29.4Very low158 Ų158129.8 Ų129.881%0.8170%0.704SS**  trans-84.14-158.2-34.7170.1000111.8
276D26.1Very low28.9Very low137 Ų137125 Ų12573%0.73370%0.698SS**  trans-119.361.7-174.7-61.5-38000111.7N274 Y278N274-D276 PolarHBondContact O-N 3.45Å; D276-Y278 PolarHBondContact O-N 2.97Å
277G24Very low28.7Very low67 Ų67122.4 Ų122.469%0.69169%0.687SS**  trans-74.955.8175.600000113.9C279G277-C279 VanDerWaalsContact C-N 3.27Å; G277-C279 PolarHBondContact O-N 2.99Å
278Y26.6Very low28.9Very low208 Ų208120.1 Ų120.182%0.81667%0.673SS**  trans-76.780.2164.1-69.4-82.4000109.2D276 S280D276-Y278 PolarHBondContact O-N 2.97Å; Y278-S280 VanDerWaalsContact C-N 3.31Å; Y278-S280 PolarHBondContact O-N 3.19Å
279C28.2Very low29.3Very low92 Ų92115.9 Ų115.962%0.62265%0.649SS**  trans-72.992.9165.7-160.40000108.1G277 T281G277-C279 VanDerWaalsContact C-N 3.27Å; G277-C279 PolarHBondContact O-N 2.99Å; C279-T281 PolarHBondContact O-N 3.23Å; C279-T281 PolarHBondContact SG-OG1 3.31Å
280S25.3Very low29.7Very low109 Ų109112.8 Ų112.876%0.76264%0.638SS**  trans-69.312.3173.8-161.70000113.1Y278 S282Y278-S280 VanDerWaalsContact C-N 3.31Å; Y278-S280 PolarHBondContact O-N 3.19Å; S280-S282 PolarHBondContact O-N 2.94Å
281T26.7Very low29.9Very low97 Ų97111.3 Ų111.360%0.59563%0.629SS**SBendtrans-74101.1163.170.60000106.1C279C279-T281 PolarHBondContact O-N 3.23Å; C279-T281 PolarHBondContact SG-OG1 3.31Å
282S26.7Very low30.1Very low94 Ų94106.1 Ų106.166%0.65761%0.606SS**  trans-41.1132159.7-74.20000106.5S280 V284S280-S282 PolarHBondContact O-N 2.94Å; S282-V284 PolarHBondContact O-N 3.12Å
283P28.1Very low30.2Very low69 Ų69101 Ų10145%0.44858%0.582SS.*  trans-46120.8-176.519.3-31.4000105.1P263 H285P263-P283 HydrophobicContact CB-CG 4.37Å; P283-H285 PolarHBondContact O-N 3.13Å
284V28.3Very low30Very low107 Ų10798.7 Ų98.765%0.64857%0.568SS**  trans-55.195.1163.7176.80000100.6S282 C286S282-V284 PolarHBondContact O-N 3.12Å; V284-C286 PolarHBondContact O-N 2.97Å
285H27.8Very low30.1Very low133 Ų13396.5 Ų96.562%0.61656%0.562SS**  trans-50.6101.8160.3-98.9-73.800098.6P283 I287P283-H285 PolarHBondContact O-N 3.13Å; H285-I287 WeakPolarHBondContact O-CG1 3.44Å; H285-I287 PolarHBondContact O-N 3.38Å
286C29.1Very low29.9Very low92 Ų9291.3 Ų91.362%0.62254%0.54SS*.  trans-49.8104.5162.2-66.5000099.9V284 H288V284-C286 PolarHBondContact O-N 2.97Å; C286-H288 PolarHBondContact O-N 3.06Å
287I30.3Very low30.1Very low101 Ų10188.9 Ų88.952%0.51853%0.533SS..  trans-75.354.9178.8-33171.5000103.2I179 H285 E289I179-I287 HydrophobicContact CD1-CD1 4.24Å; H285-I287 WeakPolarHBondContact O-CG1 3.44Å; H285-I287 PolarHBondContact O-N 3.38Å; I287-E289 HydrophobicContact CG2-CG 4.35Å; I287-E289 PolarHBondContact O-N 3.48Å
288H32Very low30.5Very low95 Ų9592.3 Ų92.344%0.4454%0.535SS..  trans-57.184.5147.1-110.8-90.6000102.6C286 S290C286-H288 PolarHBondContact O-N 3.06Å; H288-S290 VanDerWaalsContact C-N 3.33Å; H288-S290 PolarHBondContact O-N 2.57Å
289E36.2Very low30.5Very low34 Ų3485.9 Ų85.916%0.15952%0.52CS..  trans-42.6109.1166.3-74-178.9142.700106.1V184 R188 I287 I291 S293V184-E289 WeakPolarHBondContact CG1-OE1 3.48Å; R188-E289 IonicContact CZ-OE1 3.43Å; R188-E289 IonicContact NE-OE1 3.21Å; R188-E289 PolarHBondContact NE-OE1 2.7Å; R188-E289 IonicContact NH2-OE1 3.12Å; R188-E289 PolarHBondContact NH2-OE1 2.87Å; I287-E289 HydrophobicContact CG2-CG 4.35Å; I287-E289 PolarHBondContact O-N 3.48Å; E289-I291 PolarHBondContact O-N 2.8Å; E289-S293 PolarHBondContact O-OG 3.26Å
290S33.8Very low30.5Very low63 Ų6390.2 Ų90.244%0.44153%0.528SS..THydrogen-bonded Turntrans-47.5124.6-175.8-5.70000108H288 A292H288-S290 VanDerWaalsContact C-N 3.33Å; H288-S290 PolarHBondContact O-N 2.57Å; S290-A292 PolarHBondContact O-N 2.95Å
291I36.9Very low30.7Very low79 Ų7993.1 Ų93.141%0.40553%0.534SS..THydrogen-bonded Turntrans71.2-23.7162.7-54.1137.2000117C217 D218 E289C217-I291 HydrophobicContact CB-CD1 4.47Å; C217-I291 WeakPolarHBondContact SG-CD1 3.39Å; D218-I291 WeakPolarHBondContact O-CG1 3.48Å; E289-I291 PolarHBondContact O-N 2.8Å
292A33.9Very low30.9Very low40 Ų4093.6 Ų93.633%0.33153%0.533SS..THydrogen-bonded Turntrans-93.3-0-171.100000115.3L191 S290L191-A292 HydrophobicContact CD1-CB 3.32Å; L191-A292 HydrophobicContact CD2-CB 3.83Å; L191-A292 HydrophobicContact CG-CB 4.19Å; S290-A292 PolarHBondContact O-N 2.95Å
293S35.8Very low31Very low33 Ų3395.5 Ų95.523%0.23154%0.541CS..THydrogen-bonded Turntrans-100.432178.944.90000113.6E289E289-S293 PolarHBondContact O-OG 3.26Å
294I31.2Very low31Very low109 Ų10997.3 Ų97.356%0.55955%0.551SS**SBendtrans-55.1131.5155.7-57.9168.7000106.3C296I294-C296 PolarHBondContact O-N 2.73Å
295P29.7Very low31.2Very low109 Ų10996.3 Ų96.371%0.70855%0.545SS*.  trans-54.3109.6175.218.4-28.3000108.5S297P295-S297 PolarHBondContact O-N 2.91Å
296C31.9Very low31.1Very low49 Ų4995.9 Ų95.933%0.33155%0.552SS.*  trans-62.8105.9171.6179.20000105.7I294 L298 C299I294-C296 PolarHBondContact O-N 2.73Å; C296-L298 PolarHBondContact O-N 3.23Å; C296-C299 HydrophobicContact CB-CB 4.23Å; C296-C299 PolarHBondContact O-N 3.26Å; C296-C299 VanDerWaalsContact SG-SG 3.61Å
297S30.5Very low31.3Very low86 Ų8698 Ų9860%0.60155%0.548SS*.THydrogen-bonded Turntrans-61.6-8.3176.849.10000113.2P295P295-S297 PolarHBondContact O-N 2.91Å
298L30.6Very low31.3Very low140 Ų14097.4 Ų97.473%0.73355%0.551SS**THydrogen-bonded Turntrans-85.3-17.1169.7-104.290.8000114.2C296 K300C296-L298 PolarHBondContact O-N 3.23Å; L298-K300 PolarHBondContact O-N 2.81Å; L298-K300 VanDerWaalsContact O-N 3.11Å
299C28.4Very low31.3Very low73 Ų73101.1 Ų101.149%0.49357%0.574SS.*  trans-87.759176.3-610000110.3C296 L301C296-C299 HydrophobicContact CB-CB 4.23Å; C296-C299 PolarHBondContact O-N 3.26Å; C296-C299 VanDerWaalsContact SG-SG 3.61Å; C299-L301 PolarHBondContact O-N 2.77Å
300K26.6Very low31.2Very low182 Ų182105.2 Ų105.279%0.79160%0.604SS**THydrogen-bonded Turntrans-71.326.3179.2-83.1-170.8175.3-175.60114.6L298L298-K300 PolarHBondContact O-N 2.81Å; L298-K300 VanDerWaalsContact O-N 3.11Å
301L30.2Very low31.9Very low170 Ų170110.4 Ų110.489%0.8961%0.614SS**THydrogen-bonded Turntrans-109.88.8-176.9-11994.9000115.9C299C299-L301 PolarHBondContact O-N 2.77Å
302D30.4Very low33.1Very low107 Ų107111.7 Ų111.757%0.57262%0.619SS**  trans-144.294.7170.7-146.2-18000111.1T304D302-T304 PolarHBondContact OD1-OG1 3.43Å
303T28.6Very low34.6Very low134 Ų134110.9 Ų110.982%0.82261%0.61SS**  trans-85.68.9176.447.50000112.7
304T28.8Very low36.4Very low108 Ų108111.5 Ų111.566%0.66361%0.614SS**  trans-98.7-7.8-172.168.30000114.9D302 T306D302-T304 PolarHBondContact OD1-OG1 3.43Å; T304-T306 PolarHBondContact O-N 3.32Å
305V32.8Very low38.7Very low85 Ų85109.7 Ų109.752%0.51560%0.603SS.*  trans-99.182.9176.5-170.40000110Y307V305-Y307 HydrophobicContact CG1-CD1 4.48Å; V305-Y307 HydrophobicContact CG1-CD2 4.33Å; V305-Y307 HydrophobicContact CG1-CE1 4.2Å; V305-Y307 HydrophobicContact CG1-CE2 4.05Å; V305-Y307 PolarHBondContact O-N 3.08Å
306T24.7Very low41.3Very low125 Ų125104.5 Ų104.577%0.76757%0.569SS**  trans-72100.2160.842.80000107.9T304 P308T304-T306 PolarHBondContact O-N 3.32Å; T306-P308 WeakPolarHBondContact O-CD 3.34Å
307Y35Very low44Very low136 Ų136104.4 Ų104.453%0.53357%0.565SS.*  trans-61.3123.7166.9-68.9-80.4000107.6V305 N309V305-Y307 HydrophobicContact CG1-CD1 4.48Å; V305-Y307 HydrophobicContact CG1-CD2 4.33Å; V305-Y307 HydrophobicContact CG1-CE1 4.2Å; V305-Y307 HydrophobicContact CG1-CE2 4.05Å; V305-Y307 PolarHBondContact O-N 3.08Å; Y307-N309 PolarHBondContact O-N 2.96Å
308P28.4Very low47Very low89 Ų89100.3 Ų100.358%0.57854%0.536SS*.  trans-57.6120.1174.520.1-29.1000108.4T306 C310T306-P308 WeakPolarHBondContact O-CD 3.34Å; P308-C310 PolarHBondContact O-N 3.14Å
309N32.4Very low50Low173 Ų17394.4 Ų94.493%0.92551%0.505SS*.SBendtrans-67.216.6-170.7-84.4-29.9000115Y307Y307-N309 PolarHBondContact O-N 2.96Å
310C34.9Very low53.3Low119 Ų11991 Ų9180%0.80448%0.482SS*.  trans-14163-174.7-158.10000111.7P308P308-C310 PolarHBondContact O-N 3.14Å
311W49.4Very low56.6Low172 Ų17282.3 Ų82.365%0.65244%0.444SS*.  trans-100.6107.1159.4-75.680.8000107.9
312E60.3Low59.8Low107 Ų10774.2 Ų74.250%0.540%0.402SS..PPolyproline II helixtrans-57.3135.5168-167.9164.1-143.400108.9A334 T335 S336E312-A334 HydrophobicContact CG-CB 4.21Å; E312-A334 WeakPolarHBondContact CG-O 3.19Å; E312-T335 WeakPolarHBondContact OE1-CA 3.47Å; E312-S336 PolarHBondContact OE1-N 3.07Å
313P66.9Low63Low22 Ų2269.6 Ų69.614%0.14338%0.379CS..PPolyproline II helixtrans-59138.3179-15.622.1000111.1Y220 A334 W338Y220-P313 HydrophobicContact CD1-CB 3.81Å; Y220-P313 HydrophobicContact CD1-CG 4.1Å; Y220-P313 HydrophobicContact CE1-CB 4.46Å; Y220-P313 HydrophobicContact CG-CB 3.96Å; P313-A334 HydrophobicContact CB-CB 3.52Å; P313-A334 VanDerWaalsContact CD-CB 3.4Å; P313-A334 HydrophobicContact CG-CB 3.39Å; P313-A334 WeakPolarHBondContact O-CB 3.45Å; P313-W338 HydrophobicContact CG-CZ2 4.26Å
314P71.9Confident66.3Low47 Ų4764.3 Ų64.331%0.30535%0.345SS..PPolyproline II helixtrans-63.3156.5174.427.6-34.2000111Y220 R221Y220-P314 HydrophobicContact CD2-CG 4.48Å; Y220-P314 HydrophobicContact CE2-CG 4.14Å; R221-P314 PolarHBondContact NH2-O 3.04Å
315E79.5Confident69.5Low70 Ų7061.4 Ų61.433%0.32733%0.328SS..PPolyproline II helixtrans-66137.2170.5-58.3-156.1144.700110.6R331 L332 S333E315-R331 IonicContact OE2-CZ 3.95Å; E315-R331 VanDerWaalsContact OE2-CZ 3.25Å; E315-R331 IonicContact OE2-NE 3.95Å; E315-R331 PolarHBondContact OE2-NE 3.06Å; E315-R331 IonicContact OE2-NH2 3.85Å; E315-R331 PolarHBondContact OE2-NH2 3.14Å; E315-L332 WeakPolarHBondContact CA-O 3.48Å; E315-S333 WeakPolarHBondContact OE1-CB 3.48Å; E315-S333 PolarHBondContact OE1-OG 3.48Å
316V84.6Confident72.6Confident1 Ų158 Ų581%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-134.1147.3178.3-60.10000110.1L259 L260 L332L259-V316 HydrophobicContact CD2-CB 4.5Å; L259-V316 HydrophobicContact CD2-CG2 3.81Å; L260-V316 WeakPolarHBondContact O-CA 3.25Å; L260-V316 WeakPolarHBondContact O-CB 3.38Å; V316-L332 HydrophobicContact CG2-CB 3.67Å; V316-L332 HydrophobicContact CG2-CD1 3.83Å; V316-L332 HydrophobicContact CG2-CG 4.04Å; V316-L332 PolarHBondContact N-O 3.04Å; V316-L332 VanDerWaalsContact N-O 3.11Å; V316-L332 PolarHBondContact O-N 3.1Å
317L89.6Confident76Confident46 Ų4653.1 Ų53.124%0.24128%0.276CS..EExtended strand (participates in β ladder)trans-93.1127.9171.4-176.168.7000108.1L260 L262 L329L260-L317 HydrophobicContact CB-CB 4.25Å; L260-L317 WeakPolarHBondContact CB-O 3.46Å; L260-L317 HydrophobicContact CD1-CD2 4.24Å; L260-L317 PolarHBondContact N-O 2.93Å; L260-L317 PolarHBondContact O-N 3.01Å; L262-L317 HydrophobicContact CD2-CB 4.43Å; L317-L329 HydrophobicContact CD1-CB 4.47Å; L317-L329 HydrophobicContact CD1-CD2 4.48Å; L317-L329 HydrophobicContact CD2-CD2 4.31Å; L317-L329 HydrophobicContact CG-CD2 4.46Å
318L92.6Very high78.8Confident0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-107135.9173.8168.171.8000108.6V223 I231 L247 V257 Q258 L259 L329 W330 L332V223-L318 HydrophobicContact CB-CD1 4.49Å; V223-L318 HydrophobicContact CG1-CD1 3.86Å; V223-L318 HydrophobicContact CG1-CD2 3.84Å; I231-L318 HydrophobicContact CD1-CD2 4.45Å; I231-L318 HydrophobicContact CG2-CD2 4.15Å; L247-L318 HydrophobicContact CD1-CD2 3.69Å; V257-L318 HydrophobicContact CB-CD1 4.1Å; Q258-L318 WeakPolarHBondContact O-CA 3.36Å; L259-L318 HydrophobicContact CD2-CB 4.17Å; L259-L318 HydrophobicContact CD2-CD1 4.08Å; L259-L318 HydrophobicContact CG-CD1 4.32Å; L318-L329 CarbonylContact O-C 3.59Å; L318-L329 WeakPolarHBondContact O-CA 3.39Å; L318-W330 HydrophobicContact CB-CB 4.12Å; L318-W330 HydrophobicContact CD2-CB 4.23Å; L318-W330 HydrophobicContact CD2-CG 4.1Å; L318-W330 HydrophobicContact CG-CB 4.47Å; L318-W330 HydrophobicContact CG-CG 4.43Å; L318-W330 PolarHBondContact N-O 2.9Å; L318-W330 PolarHBondContact O-N 2.99Å; L318-L332 HydrophobicContact CB-CD1 3.99Å; L318-L332 HydrophobicContact CB-CD2 4.23Å; L318-L332 HydrophobicContact CB-CG 3.97Å; L318-L332 HydrophobicContact CD2-CD1 4.29Å; L318-L332 HydrophobicContact CD2-CD2 4.15Å
319I94.7Very high82Confident17 Ų1745.2 Ų45.29%0.08724%0.237CC..EExtended strand (participates in β ladder)trans-114.2135170.2-42.5-160.1000108.6V257 Q258 L260 L327 K328 L329 V357 V359V257-I319 CarbonylContact C-O 3.56Å; V257-I319 VanDerWaalsContact CA-O 3.27Å; V257-I319 WeakPolarHBondContact CA-O 3.38Å; Q258-I319 PolarHBondContact N-O 3.38Å; Q258-I319 PolarHBondContact O-N 3.21Å; L260-I319 HydrophobicContact CD1-CD1 3.77Å; L260-I319 HydrophobicContact CD1-CG1 3.98Å; I319-L327 HydrophobicContact CG2-CD2 4.19Å; I319-K328 CarbonylContact C-O 3.56Å; I319-K328 WeakPolarHBondContact CA-O 3.48Å; I319-L329 HydrophobicContact CB-CD2 4.19Å; I319-L329 HydrophobicContact CD1-CD2 3.53Å; I319-L329 HydrophobicContact CG1-CD2 3.52Å; I319-L329 HydrophobicContact CG2-CD2 4.03Å; I319-V357 HydrophobicContact CB-CG2 4.38Å; I319-V357 HydrophobicContact CG2-CG2 3.85Å; I319-V359 HydrophobicContact CD1-CG2 3.34Å; I319-V359 HydrophobicContact CG1-CG2 4.44Å
320S96.4Very high84.8Confident0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-128.8144.1174.562.40000111.7I231 H250 C256 L327 K328 W330I231-S320 WeakPolarHBondContact CD1-OG 3.49Å; H250-S320 PolarHBondContact NE2-OG 3.17Å; C256-S320 CarbonylContact O-C 3.5Å; C256-S320 VanDerWaalsContact O-CA 3.31Å; C256-S320 WeakPolarHBondContact O-CA 3.41Å; S320-L327 CarbonylContact O-C 3.46Å; S320-L327 VanDerWaalsContact O-CA 3.22Å; S320-L327 WeakPolarHBondContact O-CA 3.27Å; S320-L327 WeakPolarHBondContact O-CD2 3.39Å; S320-K328 PolarHBondContact N-O 2.82Å; S320-K328 PolarHBondContact O-N 3.46Å; S320-W330 PolarHBondContact OG-NE1 2.58Å
321G97.1Very high87.3Confident0 Ų037.6 Ų37.60%018%0.178CC..EExtended strand (participates in β ladder)trans-120.1142.3171.600000110.7R255 C256R255-G321 PolarHBondContact N-O 3.46Å; C256-G321 PolarHBondContact N-O 3.02Å; C256-G321 PolarHBondContact O-N 3.47Å; C256-G321 VanDerWaalsContact SG-CA 3.6Å
322S97.6Very high89Confident0 Ų029.4 Ų29.40%015%0.147CC..EExtended strand (participates in β ladder)trans-131.4163.8-172.1171.80000112.5H250 D252 A253 D324 T325 T326 V354H250-S322 WeakPolarHBondContact CE1-CB 3.5Å; H250-S322 WeakPolarHBondContact ND1-CB 3.22Å; D252-S322 PolarHBondContact O-OG 2.88Å; A253-S322 WeakPolarHBondContact O-CA 3.43Å; A253-S322 PolarHBondContact O-OG 2.76Å; S322-D324 WeakPolarHBondContact CB-OD1 3.21Å; S322-D324 PolarHBondContact O-N 2.89Å; S322-D324 PolarHBondContact OG-N 2.81Å; S322-D324 VanDerWaalsContact OG-N 3.17Å; S322-D324 PolarHBondContact OG-OD1 2.89Å; S322-D324 PolarHBondContact OG-OD2 3.17Å; S322-T325 PolarHBondContact O-N 3.32Å; S322-T326 PolarHBondContact N-O 3.35Å; S322-V354 PolarHBondContact O-N 2.61Å
323A97.4Very high89.7Confident11 Ų1124.9 Ų24.99%0.09113%0.127CC..THydrogen-bonded Turntrans-64.7-15.8168.800000113.1D252 A253 T325 T353D252-A323 HydrophobicContact CB-CB 4.01Å; D252-A323 VanDerWaalsContact OD2-CB 3.29Å; D252-A323 WeakPolarHBondContact OD2-CB 3.48Å; A253-A323 PolarHBondContact O-N 3.37Å; A323-T325 PolarHBondContact O-N 3.22Å; A323-T353 HydrophobicContact CB-CG2 4.09Å
324D96.5Very high89.4Confident22 Ų2224.1 Ų24.112%0.11812%0.123CC..THydrogen-bonded Turntrans-72.911.7172.16720.7000114.6H250 S251 D252 S322 T326H250-D324 WeakPolarHBondContact CA-OD2 3.47Å; H250-D324 VanDerWaalsContact CB-OD2 3.27Å; H250-D324 WeakPolarHBondContact CB-OD2 3.47Å; H250-D324 IonicContact CE1-OD1 2.78Å; H250-D324 IonicContact CE1-OD2 3.25Å; H250-D324 IonicContact CG-OD2 2.97Å; H250-D324 IonicContact ND1-OD1 3.39Å; H250-D324 PolarHBondContact ND1-OD1 3Å; H250-D324 IonicContact ND1-OD2 2.68Å; H250-D324 PolarHBondContact ND1-OD2 3.45Å; S251-D324 PolarHBondContact N-OD2 2.89Å; S251-D324 WeakPolarHBondContact OG-CB 3.31Å; D252-D324 HydrophobicContact CB-CB 4Å; S322-D324 WeakPolarHBondContact CB-OD1 3.21Å; S322-D324 PolarHBondContact O-N 2.89Å; S322-D324 PolarHBondContact OG-N 2.81Å; S322-D324 VanDerWaalsContact OG-N 3.17Å; S322-D324 PolarHBondContact OG-OD1 2.89Å; S322-D324 PolarHBondContact OG-OD2 3.17Å; D324-T326 VanDerWaalsContact CG-OG1 3.29Å; D324-T326 WeakPolarHBondContact O-CG2 3.44Å; D324-T326 PolarHBondContact O-N 2.75Å; D324-T326 VanDerWaalsContact O-N 3.1Å; D324-T326 WeakPolarHBondContact OD1-CA 3.22Å; D324-T326 VanDerWaalsContact OD1-CB 3.31Å; D324-T326 WeakPolarHBondContact OD1-CB 3.16Å; D324-T326 PolarHBondContact OD1-N 2.97Å; D324-T326 PolarHBondContact OD1-OG1 2.77Å; D324-T326 PolarHBondContact OD2-OG1 2.8Å
325T97.2Very high88.7Confident47 Ų4724.1 Ų24.129%0.28812%0.122SC..SBendtrans60.812.4-17887.50000115.2S322 A323 H350S322-T325 PolarHBondContact O-N 3.32Å; A323-T325 PolarHBondContact O-N 3.22Å; T325-H350 WeakPolarHBondContact CB-O 3.25Å; T325-H350 WeakPolarHBondContact O-CB 3.47Å; T325-H350 PolarHBondContact OG1-O 3.07Å; T325-H350 VanDerWaalsContact OG1-O 3.07Å
326T96.8Very high87.6Confident13 Ų1326.2 Ų26.28%0.0815%0.145CC..EExtended strand (participates in β ladder)trans-107.2149.2177.175.80000112.7H250 S322 D324 T346 Q348H250-T326 PolarHBondContact CE1-OG1 2.74Å; H250-T326 PolarHBondContact ND1-OG1 2.78Å; S322-T326 PolarHBondContact N-O 3.35Å; D324-T326 VanDerWaalsContact CG-OG1 3.29Å; D324-T326 WeakPolarHBondContact O-CG2 3.44Å; D324-T326 PolarHBondContact O-N 2.75Å; D324-T326 VanDerWaalsContact O-N 3.1Å; D324-T326 WeakPolarHBondContact OD1-CA 3.22Å; D324-T326 VanDerWaalsContact OD1-CB 3.31Å; D324-T326 WeakPolarHBondContact OD1-CB 3.16Å; D324-T326 PolarHBondContact OD1-N 2.97Å; D324-T326 PolarHBondContact OD1-OG1 2.77Å; D324-T326 PolarHBondContact OD2-OG1 2.8Å; T326-T346 HydrophobicContact CG2-CG2 4.03Å; T326-Q348 HydrophobicContact CG2-CG 4.1Å
327L96.4Very high86Confident24 Ų2430.6 Ų30.613%0.12617%0.168CC..EExtended strand (participates in β ladder)trans-103.3137.1163.2-80.9162.2000108I319 S320 T346 L347 V354 V357I319-L327 HydrophobicContact CG2-CD2 4.19Å; S320-L327 CarbonylContact O-C 3.46Å; S320-L327 VanDerWaalsContact O-CA 3.22Å; S320-L327 WeakPolarHBondContact O-CA 3.27Å; S320-L327 WeakPolarHBondContact O-CD2 3.39Å; L327-T346 CarbonylContact O-C 3.48Å; L327-T346 WeakPolarHBondContact O-CA 3.19Å; L327-L347 HydrophobicContact CB-CB 3.96Å; L327-L347 HydrophobicContact CB-CD1 4.35Å; L327-L347 PolarHBondContact N-O 3.47Å; L327-L347 PolarHBondContact O-N 2.81Å; L327-V354 HydrophobicContact CD2-CG1 3.78Å; L327-V354 HydrophobicContact CG-CG1 4.07Å; L327-V354 HydrophobicContact CG-CG2 4.29Å; L327-V357 HydrophobicContact CD2-CB 4.28Å; L327-V357 HydrophobicContact CD2-CG2 4.02Å
328K95.5Very high84.4Confident23 Ų2330.2 Ų30.210%0.116%0.164CC..EExtended strand (participates in β ladder)trans-123.3139.9176.5-71.2178.6-170.1-85.20111.5G249 I319 S320 W330 C345 T346G249-K328 WeakPolarHBondContact O-CE 3.45Å; G249-K328 PolarHBondContact O-NZ 2.79Å; I319-K328 CarbonylContact C-O 3.56Å; I319-K328 WeakPolarHBondContact CA-O 3.48Å; S320-K328 PolarHBondContact N-O 2.82Å; S320-K328 PolarHBondContact O-N 3.46Å; K328-W330 HydrophobicContact CB-CZ2 3.77Å; K328-W330 HydrophobicContact CD-CH2 4.14Å; K328-W330 HydrophobicContact CD-CZ2 3.71Å; K328-W330 HydrophobicContact CG-CZ2 4.37Å; K328-W330 PolarHBondContact O-NE1 3.11Å; K328-C345 WeakPolarHBondContact CA-O 3.13Å; K328-T346 HydrophobicContact CG-CG2 4.07Å; K328-T346 PolarHBondContact NZ-OG1 2.82Å
329L94Very high82.3Confident35 Ų3533.7 Ų33.718%0.18319%0.188CC..EExtended strand (participates in β ladder)trans-103.6128.4175.7-68.4172.1000108.8L317 L318 I319 C343 T344 C345 L347L317-L329 HydrophobicContact CD1-CB 4.47Å; L317-L329 HydrophobicContact CD1-CD2 4.48Å; L317-L329 HydrophobicContact CD2-CD2 4.31Å; L317-L329 HydrophobicContact CG-CD2 4.46Å; L318-L329 CarbonylContact O-C 3.59Å; L318-L329 WeakPolarHBondContact O-CA 3.39Å; I319-L329 HydrophobicContact CB-CD2 4.19Å; I319-L329 HydrophobicContact CD1-CD2 3.53Å; I319-L329 HydrophobicContact CG1-CD2 3.52Å; I319-L329 HydrophobicContact CG2-CD2 4.03Å; L329-C343 CarbonylContact O-C 3.51Å; L329-C343 WeakPolarHBondContact O-CA 3.05Å; L329-T344 PolarHBondContact O-N 3.45Å; L329-C345 HydrophobicContact CB-CB 4.21Å; L329-C345 HydrophobicContact CD1-CB 3.94Å; L329-C345 PolarHBondContact N-O 3.07Å; L329-L347 HydrophobicContact CD1-CD1 4.34Å
330W92Very high80.3Confident5 Ų542.1 Ų42.12%0.01922%0.218CC..EExtended strand (participates in β ladder)trans-126.3126.1-178.5-41.377.2000109.5I231 L247 L318 S320 K328 L332 C343I231-W330 HydrophobicContact CD1-CZ2 3.97Å; L247-W330 HydrophobicContact CB-CD2 4.43Å; L247-W330 HydrophobicContact CB-CE3 3.9Å; L247-W330 HydrophobicContact CB-CH2 4.11Å; L247-W330 HydrophobicContact CB-CZ3 3.73Å; L247-W330 HydrophobicContact CD1-CB 4.26Å; L247-W330 HydrophobicContact CD1-CD2 3.92Å; L247-W330 HydrophobicContact CD1-CE3 3.96Å; L247-W330 HydrophobicContact CD1-CG 4.06Å; L247-W330 HydrophobicContact CG-CE3 4.36Å; L318-W330 HydrophobicContact CB-CB 4.12Å; L318-W330 HydrophobicContact CD2-CB 4.23Å; L318-W330 HydrophobicContact CD2-CG 4.1Å; L318-W330 HydrophobicContact CG-CB 4.47Å; L318-W330 HydrophobicContact CG-CG 4.43Å; L318-W330 PolarHBondContact N-O 2.9Å; L318-W330 PolarHBondContact O-N 2.99Å; S320-W330 PolarHBondContact OG-NE1 2.58Å; K328-W330 HydrophobicContact CB-CZ2 3.77Å; K328-W330 HydrophobicContact CD-CH2 4.14Å; K328-W330 HydrophobicContact CD-CZ2 3.71Å; K328-W330 HydrophobicContact CG-CZ2 4.37Å; K328-W330 PolarHBondContact O-NE1 3.11Å; W330-L332 HydrophobicContact CB-CD2 4.15Å; W330-L332 PolarHBondContact O-N 3.41Å; W330-C343 HydrophobicContact CD2-CB 4.45Å; W330-C343 HydrophobicContact CE3-CB 3.83Å; W330-C343 HydrophobicContact CH2-CB 4.23Å; W330-C343 HydrophobicContact CZ3-CB 3.7Å
331R88Confident78.7Confident128 Ų12843.1 Ų43.148%0.48322%0.223SC..EExtended strand (participates in β ladder)trans-87.5108.5172.2-169.6177.5-169.4132.1-1.2109.3E315 S333 I341 A342E315-R331 IonicContact OE2-CZ 3.95Å; E315-R331 VanDerWaalsContact OE2-CZ 3.25Å; E315-R331 IonicContact OE2-NE 3.95Å; E315-R331 PolarHBondContact OE2-NE 3.06Å; E315-R331 IonicContact OE2-NH2 3.85Å; E315-R331 PolarHBondContact OE2-NH2 3.14Å; R331-S333 PolarHBondContact O-N 2.62Å; R331-I341 WeakPolarHBondContact O-CG2 3.41Å; R331-A342 PolarHBondContact N-O 3.31Å
332L84.4Confident77.4Confident0 Ų045.9 Ų45.90%025%0.246CC..EExtended strand (participates in β ladder)trans-90.286.6175-43.4-175.4000109.4R221 V223 V233 L247 L259 E315 V316 L318 W330 I341R221-L332 PolarHBondContact NH2-O 2.94Å; V223-L332 HydrophobicContact CG2-CD1 4.17Å; V233-L332 HydrophobicContact CG2-CD1 4.48Å; L247-L332 HydrophobicContact CD1-CD2 3.92Å; L259-L332 HydrophobicContact CD2-CD1 3.75Å; E315-L332 WeakPolarHBondContact CA-O 3.48Å; V316-L332 HydrophobicContact CG2-CB 3.67Å; V316-L332 HydrophobicContact CG2-CD1 3.83Å; V316-L332 HydrophobicContact CG2-CG 4.04Å; V316-L332 PolarHBondContact N-O 3.04Å; V316-L332 VanDerWaalsContact N-O 3.11Å; V316-L332 PolarHBondContact O-N 3.1Å; L318-L332 HydrophobicContact CB-CD1 3.99Å; L318-L332 HydrophobicContact CB-CD2 4.23Å; L318-L332 HydrophobicContact CB-CG 3.97Å; L318-L332 HydrophobicContact CD2-CD1 4.29Å; L318-L332 HydrophobicContact CD2-CD2 4.15Å; W330-L332 HydrophobicContact CB-CD2 4.15Å; W330-L332 PolarHBondContact O-N 3.41Å; L332-I341 HydrophobicContact CB-CD1 3.97Å; L332-I341 HydrophobicContact CD2-CD1 3.69Å; L332-I341 HydrophobicContact CD2-CG1 4.43Å; L332-I341 HydrophobicContact CD2-CG2 3.44Å; L332-I341 VanDerWaalsContact CD2-CG2 3.44Å; L332-I341 HydrophobicContact CG-CD1 4.39Å
333S73.9Confident76.7Confident11 Ų1148.1 Ų48.18%0.07726%0.262CS..  trans-76136.3166.2-167.40000109E315 R331E315-S333 WeakPolarHBondContact OE1-CB 3.48Å; E315-S333 PolarHBondContact OE1-OG 3.48Å; R331-S333 PolarHBondContact O-N 2.62Å
334A61.7Low76.2Confident7 Ų752 Ų526%0.05828%0.284CS..  trans-100.288157.300000106.2R221 E312 P313 W338R221-A334 VanDerWaalsContact NH2-CB 3.28Å; E312-A334 HydrophobicContact CG-CB 4.21Å; E312-A334 WeakPolarHBondContact CG-O 3.19Å; P313-A334 HydrophobicContact CB-CB 3.52Å; P313-A334 VanDerWaalsContact CD-CB 3.4Å; P313-A334 HydrophobicContact CG-CB 3.39Å; P313-A334 WeakPolarHBondContact O-CB 3.45Å; A334-W338 HydrophobicContact CB-CZ2 4.41Å
335T57.2Low76Confident47 Ų4753.4 Ų53.429%0.28830%0.295SS..  trans-80.8154146.949.10000107.2E312 N337 W338E312-T335 WeakPolarHBondContact OE1-CA 3.47Å; T335-N337 VanDerWaalsContact CB-OD1 3.25Å; T335-N337 WeakPolarHBondContact CB-OD1 3.13Å; T335-N337 PolarHBondContact O-N 2.83Å; T335-N337 PolarHBondContact OG1-OD1 2.83Å; T335-W338 PolarHBondContact O-N 2.9Å
336S55.2Low75.8Confident113 Ų11353.6 Ų53.679%0.7930%0.296SS*.THydrogen-bonded Turntrans-46.4-27.3176.259.10000114.6E312E312-S336 PolarHBondContact OE1-N 3.07Å
337N51.1Low75.7Confident94 Ų9457 Ų5750%0.50331%0.313SS..THydrogen-bonded Turntrans-93.2-1.5178.460.12.3000115.6T335 S339T335-N337 VanDerWaalsContact CB-OD1 3.25Å; T335-N337 WeakPolarHBondContact CB-OD1 3.13Å; T335-N337 PolarHBondContact O-N 2.83Å; T335-N337 PolarHBondContact OG1-OD1 2.83Å; N337-S339 PolarHBondContact ND2-OG 2.89Å; N337-S339 WeakPolarHBondContact O-CA 3.02Å; N337-S339 WeakPolarHBondContact O-CB 3.42Å; N337-S339 PolarHBondContact O-N 3.19Å; N337-S339 PolarHBondContact OD1-OG 2.75Å; N337-S339 VanDerWaalsContact OD1-OG 3.1Å
338W56Low75.5Confident38 Ų3863.7 Ų63.714%0.14434%0.344CS..  trans4616.6-178-7473.5000114.5R221 V233 V244 Q245 P313 A334 T335 R340 I341R221-W338 HydrophobicContact CG-CH2 3.96Å; V233-W338 HydrophobicContact CB-CZ3 4.48Å; V233-W338 HydrophobicContact CG1-CH2 4.23Å; V233-W338 HydrophobicContact CG1-CZ3 3.74Å; V244-W338 HydrophobicContact CB-CE3 4.5Å; V244-W338 HydrophobicContact CG1-CB 4.37Å; V244-W338 HydrophobicContact CG1-CD2 3.44Å; V244-W338 VanDerWaalsContact CG1-CD2 3.44Å; V244-W338 HydrophobicContact CG1-CE3 3.75Å; V244-W338 HydrophobicContact CG1-CG 3.72Å; V244-W338 HydrophobicContact CG1-CH2 4.4Å; V244-W338 HydrophobicContact CG1-CZ2 4.18Å; V244-W338 HydrophobicContact CG1-CZ3 4.2Å; Q245-W338 PolarHBondContact NE2-O 3.43Å; Q245-W338 PolarHBondContact OE1-O 2.94Å; Q245-W338 VanDerWaalsContact OE1-O 3.14Å; P313-W338 HydrophobicContact CG-CZ2 4.26Å; A334-W338 HydrophobicContact CB-CZ2 4.41Å; T335-W338 PolarHBondContact O-N 2.9Å; W338-R340 PolarHBondContact O-N 3.26Å; W338-I341 HydrophobicContact CE3-CD1 4.04Å; W338-I341 HydrophobicContact CZ3-CD1 4.43Å
339S49.2Very low75.3Confident72 Ų7265.9 Ų65.950%0.50337%0.374SS..THydrogen-bonded Turntrans-88.3-13.9-157.562.90000113.3N337N337-S339 PolarHBondContact ND2-OG 2.89Å; N337-S339 WeakPolarHBondContact O-CA 3.02Å; N337-S339 WeakPolarHBondContact O-CB 3.42Å; N337-S339 PolarHBondContact O-N 3.19Å; N337-S339 PolarHBondContact OD1-OG 2.75Å; N337-S339 VanDerWaalsContact OD1-OG 3.1Å
340R52.8Low75.3Confident194 Ų19468.8 Ų68.873%0.73239%0.386SS*.THydrogen-bonded Turntrans-102.718.7-173.8-78.3-158.3162.895.30.6115.5W338 A342W338-R340 PolarHBondContact O-N 3.26Å; R340-A342 PolarHBondContact O-N 3.07Å
341I63.1Low75.5Confident21 Ų2175.5 Ų75.511%0.10843%0.428CS..  trans-75.5104.5172.7-49-167000109.5L247 R331 L332 W338L247-I341 HydrophobicContact CD1-CG2 4.32Å; L247-I341 HydrophobicContact CD2-CB 4.07Å; L247-I341 HydrophobicContact CD2-CG2 3.41Å; L247-I341 VanDerWaalsContact CD2-CG2 3.41Å; R331-I341 WeakPolarHBondContact O-CG2 3.41Å; L332-I341 HydrophobicContact CB-CD1 3.97Å; L332-I341 HydrophobicContact CD2-CD1 3.69Å; L332-I341 HydrophobicContact CD2-CG1 4.43Å; L332-I341 HydrophobicContact CD2-CG2 3.44Å; L332-I341 VanDerWaalsContact CD2-CG2 3.44Å; L332-I341 HydrophobicContact CG-CD1 4.39Å; W338-I341 HydrophobicContact CE3-CD1 4.04Å; W338-I341 HydrophobicContact CZ3-CD1 4.43Å
342A70.3Confident75.8Confident58 Ų5873.5 Ų73.548%0.47943%0.427SS..  trans-115.9146.7174.500000110.3R331 R340 T344R331-A342 PolarHBondContact N-O 3.31Å; R340-A342 PolarHBondContact O-N 3.07Å; A342-T344 PolarHBondContact O-N 2.68Å; A342-T344 PolarHBondContact O-OG1 2.97Å
343C81.9Confident76.4Confident48 Ų4875.2 Ų75.232%0.32444%0.437SS..EExtended strand (participates in β ladder)trans-60111.1160.4177.20000107.2L329 W330L329-C343 CarbonylContact O-C 3.51Å; L329-C343 WeakPolarHBondContact O-CA 3.05Å; W330-C343 HydrophobicContact CD2-CB 4.45Å; W330-C343 HydrophobicContact CE3-CB 3.83Å; W330-C343 HydrophobicContact CH2-CB 4.23Å; W330-C343 HydrophobicContact CZ3-CB 3.7Å
344T86.8Confident77.5Confident93 Ų9375 Ų7557%0.57144%0.436SS*.EExtended strand (participates in β ladder)trans-79.4-37.2-177.6-50.80000110.9L329 A342L329-T344 PolarHBondContact O-N 3.45Å; A342-T344 PolarHBondContact O-N 2.68Å; A342-T344 PolarHBondContact O-OG1 2.97Å
345C91.7Very high79.2Confident51 Ų5183.4 Ų83.435%0.34547%0.466SS..EExtended strand (participates in β ladder)trans-155.3144.4-177.9-179.70000110.1K328 L329K328-C345 WeakPolarHBondContact CA-O 3.13Å; L329-C345 HydrophobicContact CB-CB 4.21Å; L329-C345 HydrophobicContact CD1-CB 3.94Å; L329-C345 PolarHBondContact N-O 3.07Å
346T94.1Very high80.9Confident51 Ų5186.2 Ų86.231%0.31349%0.486SS..EExtended strand (participates in β ladder)trans-111.4118.1168.1-58.20000107.6T326 L327 K328 Q348T326-T346 HydrophobicContact CG2-CG2 4.03Å; L327-T346 CarbonylContact O-C 3.48Å; L327-T346 WeakPolarHBondContact O-CA 3.19Å; K328-T346 HydrophobicContact CG-CG2 4.07Å; K328-T346 PolarHBondContact NZ-OG1 2.82Å; T346-Q348 HydrophobicContact CG2-CG 4.09Å
347L94.1Very high82.7Confident83 Ų8382.2 Ų82.244%0.43546%0.457SS..EExtended strand (participates in β ladder)trans-91.1118.4174.4-56.7174.4000107.9L327 L329L327-L347 HydrophobicContact CB-CB 3.96Å; L327-L347 HydrophobicContact CB-CD1 4.35Å; L327-L347 PolarHBondContact N-O 3.47Å; L327-L347 PolarHBondContact O-N 2.81Å; L329-L347 HydrophobicContact CD1-CD1 4.34Å
348Q92.6Very high84.6Confident165 Ų16584.9 Ų84.977%0.77147%0.466SS*.EExtended strand (participates in β ladder)trans-111.2141.5177.5-65.5-179.3-2800109T326 T346T326-Q348 HydrophobicContact CG2-CG 4.1Å; T346-Q348 HydrophobicContact CG2-CG 4.09Å
349G91.6Very high85.9Confident70 Ų7085.4 Ų85.472%0.72247%0.474SS*.  trans160-22.8179.600000114.1
350H94.2Very high87.2Confident95 Ų9586.7 Ų86.744%0.4448%0.481SS..  trans-72.5139.5170.9-66.8-81.1000110.6T325 V354T325-H350 WeakPolarHBondContact CB-O 3.25Å; T325-H350 WeakPolarHBondContact O-CB 3.47Å; T325-H350 PolarHBondContact OG1-O 3.07Å; T325-H350 VanDerWaalsContact OG1-O 3.07Å; H350-V354 HydrophobicContact CB-CG2 4.16Å
351T95.3Very high87.7Confident146 Ų14682.9 Ų82.990%0.89648%0.476SS*.SBendtrans-94.6-5.1177.353.90000113.1
352D95.8Very high86.8Confident87 Ų8793 Ų9347%0.46553%0.527SS..SBendtrans-147.2173.7179.2-16911.3000109.5V354 R355D352-V354 PolarHBondContact O-N 2.74Å; D352-R355 IonicContact OD2-NH2 2.7Å
353T97Very high87.7Confident36 Ų3694.8 Ų94.822%0.22153%0.53CS..  trans-46.8126.8-179.8-66.30000112.5R255 A323 R355R255-T353 HydrophobicContact CG-CG2 3.84Å; A323-T353 HydrophobicContact CB-CG2 4.09Å; T353-R355 HydrophobicContact CG2-CG 4.2Å; T353-R355 PolarHBondContact O-N 3.1Å; T353-R355 VanDerWaalsContact O-N 3.16Å
354V96.9Very high88Confident7 Ų797.2 Ų97.24%0.04254%0.541CS..  trans-76.4104.9172.5-174.70000109R255 S322 L327 H350 D352R255-V354 VanDerWaalsContact CB-O 3.23Å; R255-V354 WeakPolarHBondContact CB-O 3.29Å; S322-V354 PolarHBondContact O-N 2.61Å; L327-V354 HydrophobicContact CD2-CG1 3.78Å; L327-V354 HydrophobicContact CG-CG1 4.07Å; L327-V354 HydrophobicContact CG-CG2 4.29Å; H350-V354 HydrophobicContact CB-CG2 4.16Å; D352-V354 PolarHBondContact O-N 2.74Å
355R95.7Very high88Confident183 Ų18397.4 Ų97.469%0.69154%0.539SS*.  trans-85-31.3-174.1-65.7-172177.2104.79.1114.2D352 T353D352-R355 IonicContact OD2-NH2 2.7Å; T353-R355 HydrophobicContact CG2-CG 4.2Å; T353-R355 PolarHBondContact O-N 3.1Å; T353-R355 VanDerWaalsContact O-N 3.16Å
356C94.6Very high87.8Confident106 Ų106100.2 Ų100.272%0.71655%0.55SS**  trans-147.4154.6-179.962.30000110.7C256C256-C356 VanDerWaalsContact SG-CA 3.59Å
357V92.3Very high87.4Confident29 Ų29103.3 Ų103.318%0.17657%0.565CS.*  trans-134.1137171.967.80000107.6C256 Q258 I319 L327C256-V357 HydrophobicContact CB-CG1 4.1Å; C256-V357 PolarHBondContact SG-N 3.06Å; Q258-V357 HydrophobicContact CB-CG1 3.9Å; I319-V357 HydrophobicContact CB-CG2 4.38Å; I319-V357 HydrophobicContact CG2-CG2 3.85Å; L327-V357 HydrophobicContact CD2-CB 4.28Å; L327-V357 HydrophobicContact CD2-CG2 4.02Å
358Q90.4Very high87Confident150 Ų150104.6 Ų104.670%0.70157%0.574SS**  trans-143121.6173-177.372.4-44.900108.5Q258Q258-Q358 VanDerWaalsContact OE1-C 3.3Å
359V83.9Confident86.6Confident49 Ų49100.3 Ų100.330%0.29756%0.56SS.*  trans-104.9129.8171.7177.30000109.4Q258 L260 I319Q258-V359 PolarHBondContact NE2-O 2.72Å; L260-V359 HydrophobicContact CD1-CB 3.92Å; L260-V359 HydrophobicContact CD1-CG1 3.75Å; L260-V359 HydrophobicContact CD1-CG2 4.01Å; L260-V359 HydrophobicContact CD2-CB 3.86Å; L260-V359 HydrophobicContact CD2-CG1 3.85Å; L260-V359 HydrophobicContact CG-CB 4.42Å; L260-V359 HydrophobicContact CG-CG1 4.45Å; I319-V359 HydrophobicContact CD1-CG2 3.34Å; I319-V359 HydrophobicContact CG1-CG2 4.44Å
360C77.2Confident86.2Confident98 Ų98102.6 Ų102.666%0.66255%0.547SS*.  trans-100.2132.5171.2-65.90000108.4I362C360-I362 PolarHBondContact O-N 2.78Å
361N62.3Low85.5Confident115 Ų115103.3 Ų103.362%0.61556%0.556SS**  trans-66.3121.8161-68.31.8000107.2
362I45Very low84.6Confident233 Ų23399.4 Ų99.4100%1.19553%0.526SS*.  trans-80.70169.2-61.6174.2000108.2C360C360-I362 PolarHBondContact O-N 2.78Å

Retrieved 362 of 362 residues in 89.1 ms (Link to these results)