A0A5K4EWT3_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EWT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 495 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
1M39.9Very low51.4Low192 Ų192108.5 Ų108.595%0.94658%0.577SS**  0-52.50-73.9-72.3-90.700110.9T3 L4 E5M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3.17Å; M1-E5 PolarHBondContact O-N 3.26Å
2E42.9Very low51.7Low162 Ų162115 Ų11576%0.75759%0.587SS**Hα-helixtrans-55.8-33.3-179.3-67.5178.2164.100115.7S6E2-S6 VanDerWaalsContact O-CB 3.29Å; E2-S6 WeakPolarHBondContact O-CB 3.45Å; E2-S6 PolarHBondContact O-N 3.02Å; E2-S6 PolarHBondContact O-OG 3.4Å
3T61.1Low52.4Low110 Ų110112.4 Ų112.468%0.67558%0.575SS**Hα-helixtrans-71.4-42.817926.30000113.2M1 S6 M7M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.13Å; T3-S6 PolarHBondContact O-N 3.29Å; T3-M7 WeakPolarHBondContact O-CB 3.3Å; T3-M7 VanDerWaalsContact O-CG 3.28Å; T3-M7 WeakPolarHBondContact O-CG 3.36Å; T3-M7 PolarHBondContact O-N 3.37Å
4L48.5Very low52.9Low105 Ų105113.1 Ų113.155%0.5557%0.573SS.*Hα-helixtrans-66.1-42.3176.9-176.471.6000110.4M1 M7 L8M1-L4 PolarHBondContact O-N 3.17Å; L4-M7 PolarHBondContact O-N 2.95Å; L4-L8 HydrophobicContact CD2-CD1 4.48Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 HydrophobicContact CG-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 VanDerWaalsContact O-CG 3.32Å; L4-L8 WeakPolarHBondContact O-CG 3.23Å; L4-L8 PolarHBondContact O-N 3.16Å
5E52.4Low52.8Low139 Ų139112 Ų11265%0.6557%0.568SS**Hα-helixtrans-65-40.2178.4-158.9171.1-165.900111.5M1 L8 K9M1-E5 PolarHBondContact O-N 3.26Å; E5-L8 PolarHBondContact O-N 3.46Å; E5-K9 VanDerWaalsContact O-CB 3.22Å; E5-K9 WeakPolarHBondContact O-CB 3.41Å; E5-K9 PolarHBondContact O-N 2.98Å
6S53.8Low53.2Low78 Ų78108.3 Ų108.355%0.54556%0.556SS.*Hα-helixtrans-63.5-40.2172.6-63.60000112.6E2 T3 K9 A10E2-S6 VanDerWaalsContact O-CB 3.29Å; E2-S6 WeakPolarHBondContact O-CB 3.45Å; E2-S6 PolarHBondContact O-N 3.02Å; E2-S6 PolarHBondContact O-OG 3.4Å; T3-S6 PolarHBondContact O-N 3.29Å; S6-K9 PolarHBondContact O-N 2.92Å; S6-A10 WeakPolarHBondContact O-CB 3.49Å; S6-A10 PolarHBondContact O-N 3.24Å
7M45.2Very low54.1Low65 Ų65108.2 Ų108.232%0.3255%0.55SS.*Hα-helixtrans-67.3-46.4176.1-74.1177.571.600111.6T3 L4 K9 A10 V11T3-M7 WeakPolarHBondContact O-CB 3.3Å; T3-M7 VanDerWaalsContact O-CG 3.28Å; T3-M7 WeakPolarHBondContact O-CG 3.36Å; T3-M7 PolarHBondContact O-N 3.37Å; L4-M7 PolarHBondContact O-N 2.95Å; M7-K9 VanDerWaalsContact C-N 3.27Å; M7-K9 PolarHBondContact O-N 3.31Å; M7-A10 PolarHBondContact O-N 2.84Å; M7-V11 VanDerWaalsContact O-CG2 3.28Å; M7-V11 WeakPolarHBondContact O-CG2 3.36Å; M7-V11 PolarHBondContact O-N 3.46Å
8L52Low53.7Low108 Ų108106.1 Ų106.157%0.56554%0.54SS*.Hα-helixtrans-61.8-37.5176-72.6172.8000111.5L4 E5 V11 R12L4-L8 HydrophobicContact CD2-CD1 4.48Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 HydrophobicContact CG-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 VanDerWaalsContact O-CG 3.32Å; L4-L8 WeakPolarHBondContact O-CG 3.23Å; L4-L8 PolarHBondContact O-N 3.16Å; E5-L8 PolarHBondContact O-N 3.46Å; L8-V11 PolarHBondContact O-N 3.49Å; L8-R12 WeakPolarHBondContact O-CB 3.36Å; L8-R12 PolarHBondContact O-N 2.85Å
9K63.6Low53.9Low126 Ų126107 Ų10755%0.54854%0.542SS..Hα-helixtrans-64.2-46.4172.9-177.2173-178.9-59.50111.7E5 S6 M7 V11 R12 D13E5-K9 VanDerWaalsContact O-CB 3.22Å; E5-K9 WeakPolarHBondContact O-CB 3.41Å; E5-K9 PolarHBondContact O-N 2.98Å; S6-K9 PolarHBondContact O-N 2.92Å; M7-K9 VanDerWaalsContact C-N 3.27Å; M7-K9 PolarHBondContact O-N 3.31Å; K9-V11 VanDerWaalsContact C-N 3.29Å; K9-V11 PolarHBondContact O-N 3.4Å; K9-R12 PolarHBondContact O-N 2.85Å; K9-D13 IonicContact NZ-OD2 3.17Å; K9-D13 PolarHBondContact NZ-OD2 3.36Å; K9-D13 WeakPolarHBondContact O-CB 3.29Å; K9-D13 PolarHBondContact O-N 3.21Å
10A56.6Low54.4Low58 Ų58109.7 Ų109.748%0.47955%0.553SS.*Hα-helixtrans-60.3-39176.400000112.4S6 M7 D13 F14S6-A10 WeakPolarHBondContact O-CB 3.49Å; S6-A10 PolarHBondContact O-N 3.24Å; M7-A10 PolarHBondContact O-N 2.84Å; A10-D13 PolarHBondContact O-N 3.39Å; A10-F14 WeakPolarHBondContact O-CB 3.4Å; A10-F14 PolarHBondContact O-N 3.03Å
11V49.4Very low54.1Low51 Ų51106.2 Ų106.231%0.30954%0.536SS..Hα-helixtrans-64.6-46.3174.6173.80000111.1M7 L8 K9 D13 F14 L15 M469M7-V11 VanDerWaalsContact O-CG2 3.28Å; M7-V11 WeakPolarHBondContact O-CG2 3.36Å; M7-V11 PolarHBondContact O-N 3.46Å; L8-V11 PolarHBondContact O-N 3.49Å; K9-V11 VanDerWaalsContact C-N 3.29Å; K9-V11 PolarHBondContact O-N 3.4Å; V11-D13 VanDerWaalsContact C-N 3.34Å; V11-D13 PolarHBondContact O-N 2.95Å; V11-F14 PolarHBondContact O-N 3.02Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CG 3.3Å; V11-L15 PolarHBondContact O-N 2.87Å; V11-M469 HydrophobicContact CG2-CE 3.22Å
12R55Low54.3Low186 Ų186101.5 Ų101.570%0.70251%0.51SS*.Hα-helixtrans-63.3-40.1177.7-175.6179.8-93.5167.4-7111.8L8 K9 S16L8-R12 WeakPolarHBondContact O-CB 3.36Å; L8-R12 PolarHBondContact O-N 2.85Å; K9-R12 PolarHBondContact O-N 2.85Å; R12-S16 WeakPolarHBondContact O-CB 3.03Å; R12-S16 PolarHBondContact O-N 3.34Å; R12-S16 PolarHBondContact O-OG 3.38Å
13D60.6Low54.2Low81 Ų8199.5 Ų99.543%0.43350%0.501SS..Hα-helixtrans-65.5-41.3177.5-68.7-13.8000110.4K9 A10 V11 S16 F17K9-D13 IonicContact NZ-OD2 3.17Å; K9-D13 PolarHBondContact NZ-OD2 3.36Å; K9-D13 WeakPolarHBondContact O-CB 3.29Å; K9-D13 PolarHBondContact O-N 3.21Å; A10-D13 PolarHBondContact O-N 3.39Å; V11-D13 VanDerWaalsContact C-N 3.34Å; V11-D13 PolarHBondContact O-N 2.95Å; D13-S16 PolarHBondContact O-N 3.16Å; D13-F17 WeakPolarHBondContact O-CB 3.35Å; D13-F17 PolarHBondContact O-N 2.78Å
14F60.3Low53.3Low123 Ų12398 Ų9854%0.53950%0.495SS..Hα-helixtrans-66.8-44.3176-177.8-107.7000113.2A10 V11 S16 F17 L18A10-F14 WeakPolarHBondContact O-CB 3.4Å; A10-F14 PolarHBondContact O-N 3.03Å; V11-F14 PolarHBondContact O-N 3.02Å; F14-S16 VanDerWaalsContact C-N 3.32Å; F14-S16 PolarHBondContact O-N 3.21Å; F14-F17 WeakPolarHBondContact O-CB 3.34Å; F14-F17 PolarHBondContact O-N 3.23Å; F14-L18 HydrophobicContact CD1-CD1 4.07Å; F14-L18 HydrophobicContact CE1-CD1 3.53Å; F14-L18 HydrophobicContact CE1-CG 4.16Å; F14-L18 HydrophobicContact CZ-CD1 3.89Å; F14-L18 HydrophobicContact CZ-CD2 4.26Å; F14-L18 HydrophobicContact CZ-CG 4.16Å; F14-L18 WeakPolarHBondContact O-CG 3.19Å; F14-L18 PolarHBondContact O-N 3.02Å
15L50.3Low52.9Low96 Ų9697.4 Ų97.450%0.50349%0.491SS..Hα-helixtrans-63.4-39.9176.2-70.2173.5000111.5V11 F17 L18 E19V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CG 3.3Å; V11-L15 PolarHBondContact O-N 2.87Å; L15-F17 VanDerWaalsContact C-N 3.35Å; L15-L18 PolarHBondContact O-N 3.39Å; L15-E19 PolarHBondContact O-N 3.07Å
16S59.8Low52.3Low53 Ų5395.5 Ų95.537%0.37149%0.485SS..Hα-helixtrans-64.9-38.9175.6-570000111.8R12 D13 F14 E19 Q20R12-S16 WeakPolarHBondContact O-CB 3.03Å; R12-S16 PolarHBondContact O-N 3.34Å; R12-S16 PolarHBondContact O-OG 3.38Å; D13-S16 PolarHBondContact O-N 3.16Å; F14-S16 VanDerWaalsContact C-N 3.32Å; F14-S16 PolarHBondContact O-N 3.21Å; S16-E19 PolarHBondContact O-N 2.84Å; S16-Q20 WeakPolarHBondContact O-CB 3.35Å; S16-Q20 VanDerWaalsContact O-CG 3.3Å; S16-Q20 WeakPolarHBondContact O-CG 3.47Å; S16-Q20 PolarHBondContact O-N 3.4Å
17F68.1Low51.2Low106 Ų10697.8 Ų97.847%0.46549%0.491SS..Hα-helixtrans-60.9-45.7173.5169.1-91.7000111.9D13 F14 L15 E19 Q20 N21D13-F17 WeakPolarHBondContact O-CB 3.35Å; D13-F17 PolarHBondContact O-N 2.78Å; F14-F17 WeakPolarHBondContact O-CB 3.34Å; F14-F17 PolarHBondContact O-N 3.23Å; L15-F17 VanDerWaalsContact C-N 3.35Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 3.47Å; F17-Q20 PolarHBondContact O-N 2.85Å; F17-N21 WeakPolarHBondContact CD2-ND2 3.3Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.42Å; F17-N21 HydrophobicContact CZ-CB 4.49Å; F17-N21 WeakPolarHBondContact O-CB 3.42Å; F17-N21 PolarHBondContact O-N 2.95Å; F17-N21 PolarHBondContact O-ND2 2.97Å
18L47.8Very low50.6Low70 Ų70101.8 Ų101.837%0.36651%0.512SS..Hα-helixtrans-62.2-42.2177.9-71.2178.6000111.7F14 L15 N21 K22F14-L18 HydrophobicContact CD1-CD1 4.07Å; F14-L18 HydrophobicContact CE1-CD1 3.53Å; F14-L18 HydrophobicContact CE1-CG 4.16Å; F14-L18 HydrophobicContact CZ-CD1 3.89Å; F14-L18 HydrophobicContact CZ-CD2 4.26Å; F14-L18 HydrophobicContact CZ-CG 4.16Å; F14-L18 WeakPolarHBondContact O-CG 3.19Å; F14-L18 PolarHBondContact O-N 3.02Å; L15-L18 PolarHBondContact O-N 3.39Å; L18-N21 PolarHBondContact O-N 3.24Å; L18-K22 WeakPolarHBondContact O-CA 3.47Å; L18-K22 PolarHBondContact O-N 3.38Å
19E57.1Low49.5Very low124 Ų124102 Ų10258%0.57952%0.523SS*.Hα-helixtrans-67.1-42.5179-166.760.6-153.900111.8L15 S16 F17 N21 K22L15-E19 PolarHBondContact O-N 3.07Å; S16-E19 PolarHBondContact O-N 2.84Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 3.47Å; E19-N21 VanDerWaalsContact C-N 3.35Å; E19-N21 PolarHBondContact O-N 2.81Å; E19-K22 WeakPolarHBondContact O-CB 3.47Å; E19-K22 PolarHBondContact O-N 2.79Å; E19-K22 IonicContact OE1-NZ 3.69Å
20Q63.8Low47.7Very low160 Ų160100.6 Ų100.675%0.74853%0.529SS*.Hα-helixtrans-66.5-35.6177.9-74.2178300112.9S16 F17S16-Q20 WeakPolarHBondContact O-CB 3.35Å; S16-Q20 VanDerWaalsContact O-CG 3.3Å; S16-Q20 WeakPolarHBondContact O-CG 3.47Å; S16-Q20 PolarHBondContact O-N 3.4Å; F17-Q20 PolarHBondContact O-N 2.85Å
21N48.4Very low46.4Very low38 Ų38104.5 Ų104.520%0.20355%0.547CS..Hα-helixtrans-97.23.4-176.7-65.9-80.6000113.4F17 L18 E19 Q23 S24 I25F17-N21 WeakPolarHBondContact CD2-ND2 3.3Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.42Å; F17-N21 HydrophobicContact CZ-CB 4.49Å; F17-N21 WeakPolarHBondContact O-CB 3.42Å; F17-N21 PolarHBondContact O-N 2.95Å; F17-N21 PolarHBondContact O-ND2 2.97Å; L18-N21 PolarHBondContact O-N 3.24Å; E19-N21 VanDerWaalsContact C-N 3.35Å; E19-N21 PolarHBondContact O-N 2.81Å; N21-Q23 PolarHBondContact O-N 3.31Å; N21-S24 PolarHBondContact O-N 3.43Å; N21-I25 HydrophobicContact CB-CD1 3.84Å; N21-I25 HydrophobicContact CB-CG1 4.18Å; N21-I25 VanDerWaalsContact O-CG1 3.3Å; N21-I25 WeakPolarHBondContact O-CG1 3.3Å; N21-I25 PolarHBondContact O-N 3.48Å
22K43.7Very low45.4Very low92 Ų92107.4 Ų107.440%0.457%0.566SS.*Hα-helixtrans-44.9-45.9-179.9-169.7175.6177.8170.10111.6L18 E19 L26L18-K22 WeakPolarHBondContact O-CA 3.47Å; L18-K22 PolarHBondContact O-N 3.38Å; E19-K22 WeakPolarHBondContact O-CB 3.47Å; E19-K22 PolarHBondContact O-N 2.79Å; E19-K22 IonicContact OE1-NZ 3.69Å; K22-L26 HydrophobicContact CG-CD1 3.97Å; K22-L26 WeakPolarHBondContact O-CB 3.45Å; K22-L26 WeakPolarHBondContact O-CD1 3.4Å; K22-L26 WeakPolarHBondContact O-CG 3.31Å; K22-L26 PolarHBondContact O-N 3.4Å; K22-L26 VanDerWaalsContact O-N 3.16Å
23Q40.1Very low44.1Very low120 Ų120105 Ų10556%0.56158%0.575SS**Hα-helixtrans-81.2-28.4-174.9-100.947.45.500113.4N21 N27N21-Q23 PolarHBondContact O-N 3.31Å; Q23-N27 WeakPolarHBondContact O-CB 3.39Å; Q23-N27 PolarHBondContact O-N 3.04Å
24S43.6Very low42.5Very low80 Ų80104.6 Ų104.656%0.55959%0.59SS**Hα-helixtrans-73.9-36.7174.7136.10000111.4N21 L26N21-S24 PolarHBondContact O-N 3.43Å; S24-L26 VanDerWaalsContact C-N 3.34Å
25I40.2Very low40.8Very low91 Ų91108.5 Ų108.547%0.46761%0.607SS.*Hα-helixtrans-71.5-33.4178.1-64.3166.2000110.3N21N21-I25 HydrophobicContact CB-CD1 3.84Å; N21-I25 HydrophobicContact CB-CG1 4.18Å; N21-I25 VanDerWaalsContact O-CG1 3.3Å; N21-I25 WeakPolarHBondContact O-CG1 3.3Å; N21-I25 PolarHBondContact O-N 3.48Å
26L39.4Very low39.8Very low100 Ų100113.7 Ų113.752%0.52463%0.625SS.*Hα-helixtrans-79.9-23.4-177.8-70.3168.5000114.6K22 S24 I28K22-L26 HydrophobicContact CG-CD1 3.97Å; K22-L26 WeakPolarHBondContact O-CB 3.45Å; K22-L26 WeakPolarHBondContact O-CD1 3.4Å; K22-L26 WeakPolarHBondContact O-CG 3.31Å; K22-L26 PolarHBondContact O-N 3.4Å; K22-L26 VanDerWaalsContact O-N 3.16Å; S24-L26 VanDerWaalsContact C-N 3.34Å; L26-I28 VanDerWaalsContact C-N 3.33Å; L26-I28 PolarHBondContact O-N 3.46Å
27N30.7Very low38.2Very low125 Ų125119.9 Ų119.967%0.66865%0.648SS**THydrogen-bonded Turntrans-86.623-172.2-87.9-6.8000116.1Q23 S29Q23-N27 WeakPolarHBondContact O-CB 3.39Å; Q23-N27 PolarHBondContact O-N 3.04Å; N27-S29 VanDerWaalsContact C-N 3.26Å; N27-S29 PolarHBondContact O-N 3.49Å
28I31.4Very low36.3Very low150 Ų150120.6 Ų120.677%0.76966%0.663SS**THydrogen-bonded Turntrans-79.5-4178.5-59.4176.2000112.7L26L26-I28 VanDerWaalsContact C-N 3.33Å; L26-I28 PolarHBondContact O-N 3.46Å
29S29.1Very low35.5Very low112 Ų112124.4 Ų124.478%0.78369%0.689SS**SBendtrans-111.659.4-17878.80000115N27N27-S29 VanDerWaalsContact C-N 3.26Å; N27-S29 PolarHBondContact O-N 3.49Å
30S26.4Very low33.9Very low97 Ų97124.4 Ų124.468%0.67870%0.703SS**  trans-165.492.4157.659.90000112.5
31V29.7Very low32.1Very low140 Ų140120.1 Ų120.185%0.84870%0.702SS**  trans-128115.6164.3-175.80000108.7
32P27.7Very low31Very low112 Ų112124.8 Ų124.873%0.72774%0.736SS**  trans-87.3153.4-176.533-31.6000112.7G34P32-G34 PolarHBondContact O-N 2.95Å
33P26.8Very low30.2Very low136 Ų136125.9 Ų125.988%0.88376%0.755SS**  trans-87110.8-172.232.3-31.5000112.4
34G27.5Very low29.5Very low72 Ų72128.2 Ų128.274%0.74277%0.766SS**  trans-108.8128176.800000113.4P32P32-G34 PolarHBondContact O-N 2.95Å
35K24Very low28.6Very low205 Ų205130.8 Ų130.889%0.89178%0.783SS**  trans-76.4144.3179-67.6172.5176176.70112.4
36F29.8Very low27.8Very low205 Ų205133.2 Ų133.290%0.89980%0.795SS**  trans-142.1145.6166.9-93-82.5000113.9
37H26.9Very low27.2Very low182 Ų182135.3 Ų135.384%0.84381%0.812SS**  trans-91.1145.1-179.3-78.6-87.2000112.6
38P28.7Very low26.8Very low122 Ų122134.1 Ų134.179%0.79281%0.813SS**  trans-96.5146.1-176.635.2-32000114
39V29.7Very low26.4Very low150 Ų150134.6 Ų134.691%0.90982%0.817SS**  trans-112.7143.5173.7178.20000110.7
40S23.9Very low26.3Very low123 Ų123133.5 Ų133.586%0.8681%0.807SS**  trans-75.1151.1-163.8-163.90000115.7
41G25.7Very low26.5Very low71 Ų71135.1 Ų135.173%0.73282%0.815SS**  trans157.36.516300000121.9
42C26Very low26.4Very low136 Ų136134.2 Ų134.292%0.91981%0.81SS**  trans-138.2122.4171.8-81.80000111.8
43S27.1Very low26.4Very low115 Ų115137.9 Ų137.980%0.80482%0.815SS**  trans-72.2122.5-177.150.60000113.2
44E24.3Very low26.4Very low169 Ų169137.5 Ų137.579%0.7981%0.805SS**  3891.2127.4-63.7177.5171.900118.5
45C25.2Very low26.4Very low134 Ų134141 Ų14191%0.90581%0.807SS**  -129.3126.5125.2-92.30000107.6T47C45-T47 PolarHBondContact O-N 3.47Å
46I23.2Very low26.6Very low141 Ų141141.6 Ų141.672%0.72381%0.805SS**SBendtrans-91.597.2-155.4-55163.2000109.2
47T28.3Very low26.5Very low145 Ų145137.6 Ų137.689%0.8980%0.798SS**  trans-146.7791414.40000106.7C45C45-T47 PolarHBondContact O-N 3.47Å
48S21.2Very low26.5Very low99 Ų99132.9 Ų132.969%0.69279%0.79SS**  trans-70.7122.4176.439.30000109.8
49L24.2Very low26.2Very low160 Ų160135.4 Ų135.484%0.83879%0.791SS**SBend-173.1162.768.8-88.6126.6000110.5
50P25.2Very low26.1Very low90 Ų90133.6 Ų133.658%0.58478%0.78SS**  -107163-55.837.8-25.5000112
51P32.3Very low26.1Very low131 Ų131132.9 Ų132.985%0.85177%0.773SS**  trans-81.3113.115632-24.2000108
52T26.1Very low26Very low121 Ų121136.2 Ų136.274%0.74277%0.772SS**  trans-106.998.516125.70000107.8N54T52-N54 PolarHBondContact O-N 2.98Å
53K28.5Very low25.9Very low189 Ų189135.1 Ų135.182%0.82276%0.762SS**  trans-48.6127.2139.1-75.8178.3174.2-179.90106.3
54N26Very low25.6Very low127 Ų127137 Ų13768%0.67976%0.761SS**  trans-172.3103.3133.3-87.2-15.1000108.4T52 Y56T52-N54 PolarHBondContact O-N 2.98Å; N54-Y56 PolarHBondContact O-N 3.3Å
55D29.1Very low25.5Very low147 Ų147135.6 Ų135.679%0.78676%0.759SS**  trans-693139.8-59.3-43.6000114.2
56Y28.3Very low25.4Very low216 Ų216134.7 Ų134.785%0.84775%0.751SS**  trans-133.974.6148.4-77.5-79.5000107.6N54 A58N54-Y56 PolarHBondContact O-N 3.3Å; Y56-A58 PolarHBondContact O-N 3.4Å
57V26.8Very low25.3Very low122 Ų122136.4 Ų136.474%0.73975%0.753SS**  trans-60.497.9144.7178.60000104.6Q59V57-Q59 PolarHBondContact O-N 3.28Å
58A26.5Very low25.2Very low83 Ų83137.8 Ų137.869%0.68675%0.754SS**  trans-57.999.7158.200000105.2Y56 T60Y56-A58 PolarHBondContact O-N 3.4Å; A58-T60 PolarHBondContact O-N 2.91Å
59Q22.9Very low25.6Very low174 Ų174140.7 Ų140.781%0.81376%0.762SS**  trans-59.188.8167.4-76.8179.8-7.700105.9V57V57-Q59 PolarHBondContact O-N 3.28Å
60T26.7Very low25.7Very low112 Ų112139.1 Ų139.169%0.68775%0.751SS**  trans-56.3126.1150.331.50000104.8A58 I62A58-T60 PolarHBondContact O-N 2.91Å; T60-I62 PolarHBondContact O-N 2.93Å
61P23.9Very low25.7Very low108 Ų108142.2 Ų142.270%0.70176%0.762SS**  trans-57.6109.3-17720.5-30.2000107.9V63P61-V63 PolarHBondContact O-N 3.46Å
62I23.8Very low25.8Very low141 Ų141140.7 Ų140.772%0.72375%0.752SS**  trans-69.491.7172.7-56.5175.7000104.9T60 L64T60-I62 PolarHBondContact O-N 2.93Å; I62-L64 HydrophobicContact CG2-CG 3.93Å; I62-L64 PolarHBondContact O-N 2.9Å
63V23.5Very low25.8Very low114 Ų114141.4 Ų141.469%0.69175%0.752SS**  trans-70.693.7158.7-179.10000105.3P61 L65P61-V63 PolarHBondContact O-N 3.46Å; V63-L65 HydrophobicContact CG1-CD1 4.29Å; V63-L65 HydrophobicContact CG1-CG 4.31Å; V63-L65 PolarHBondContact O-N 3.01Å
64L21.1Very low25.8Very low153 Ų153140.4 Ų140.480%0.80175%0.754SS**  trans-60.787.7167-88156.1000107.9I62I62-L64 HydrophobicContact CG2-CG 3.93Å; I62-L64 PolarHBondContact O-N 2.9Å
65L23.7Very low25.8Very low141 Ų141141 Ų14174%0.73876%0.756SS**  trans-74.2133.6160.5-86140.9000108V63 K67V63-L65 HydrophobicContact CG1-CD1 4.29Å; V63-L65 HydrophobicContact CG1-CG 4.31Å; V63-L65 PolarHBondContact O-N 3.01Å; L65-K67 PolarHBondContact O-N 2.86Å
66P22.2Very low25.5Very low114 Ų114139.7 Ų139.774%0.7476%0.757SS**  trans-59.4132.7-172.919.8-29.7000111.4L68P66-L68 PolarHBondContact O-N 3.19Å
67K22Very low25.2Very low177 Ų177139.4 Ų139.477%0.7776%0.755SS**  trans-45.2109.7174.1-86.8-175.1166.7-154.40110.6L65 E70L65-K67 PolarHBondContact O-N 2.86Å; K67-E70 IonicContact NZ-OE1 2.62Å; K67-E70 PolarHBondContact NZ-OE1 2.73Å
68L25.8Very low25.1Very low174 Ų174138.6 Ų138.691%0.91176%0.755SS**  trans-89.4122.7155.9-88.8163.1000107.7P66P66-L68 PolarHBondContact O-N 3.19Å
69N28.2Very low25Very low160 Ų160143 Ų14386%0.85676%0.759SS**  trans-27.9128.7-169.9-126-5.8000116.8
70E27.1Very low25.1Very low128 Ų128141.3 Ų141.360%0.59876%0.755SS**  trans-58.8139.9167.1-65.7162.5-164.900110.5K67K67-E70 IonicContact NZ-OE1 2.62Å; K67-E70 PolarHBondContact NZ-OE1 2.73Å
71N25.7Very low25.1Very low154 Ų154139.8 Ų139.882%0.82474%0.742SS**  trans-139.590.9147.5-136.3-14000107.4D73N71-D73 PolarHBondContact O-N 2.82Å
72P34.5Very low25.2Very low99 Ų99144.6 Ų144.664%0.64375%0.748SS**  trans-93.678.1-173.235.4-27.2000109.1
73D25.2Very low25.2Very low136 Ų136141.4 Ų141.473%0.72774%0.737SS**  trans-154.863.5175.9-93.5-33.8000112.8N71N71-D73 PolarHBondContact O-N 2.82Å
74I28.9Very low25.1Very low169 Ų169147.4 Ų147.487%0.86775%0.747SS**SBendtrans-137.987.6150.2-53-179.5000109.2S76I74-S76 PolarHBondContact O-N 3.44Å
75I25.4Very low25.4Very low140 Ų140146.3 Ų146.372%0.71875%0.747SS**  trans-15.8114163.4-63.4155.6000114.5R77I75-R77 PolarHBondContact O-N 3.38Å
76S23.7Very low25.5Very low118 Ų118145.1 Ų145.183%0.82575%0.75SS**  trans-5396155.7-66.60000110.1I74 S78I74-S76 PolarHBondContact O-N 3.44Å; S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact O-N 2.96Å; S76-S78 VanDerWaalsContact O-N 3.1Å
77R22.4Very low25.6Very low211 Ų211150.1 Ų150.180%0.79676%0.76SS**  trans-73.996.2159.6-80.4-174.2-179.5167.91.8107.7I75 F79I75-R77 PolarHBondContact O-N 3.38Å; R77-F79 PolarHBondContact O-N 3.05Å
78S23.4Very low25.7Very low105 Ų105147 Ų14773%0.73476%0.761SS**  trans-47.6103.6162.4440000110S76S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact O-N 2.96Å; S76-S78 VanDerWaalsContact O-N 3.1Å
79F24.6Very low25.8Very low176 Ų176143.3 Ų143.377%0.77275%0.75SS**  trans-85.3109.8158.9-85.6-88.8000106.6R77 I81R77-F79 PolarHBondContact O-N 3.05Å; F79-I81 PolarHBondContact O-N 3.45Å
80D24.7Very low25.6Very low137 Ų137146 Ų14673%0.73375%0.754SS**  trans-61.999.6169.1-73.3-38.6000108.5Y82D80-Y82 HydrophobicContact CB-CE2 4.48Å; D80-Y82 PolarHBondContact O-N 3.06Å; D80-Y82 VanDerWaalsContact O-N 3.15Å
81I27.8Very low25.5Very low80 Ų80147.5 Ų147.541%0.4177%0.765SS.*  trans-77.299.4172.2-59.1174.8000106.7F79 C83 I151F79-I81 PolarHBondContact O-N 3.45Å; I81-C83 VanDerWaalsContact C-N 3.31Å; I81-C83 PolarHBondContact O-N 3.25Å; I81-I151 HydrophobicContact CD1-CD1 4.07Å
82Y24.3Very low25.5Very low210 Ų210145.6 Ų145.682%0.82476%0.759SS**  trans-66.688.7167.8-79.1-86.3000109.7D80 R84D80-Y82 HydrophobicContact CB-CE2 4.48Å; D80-Y82 PolarHBondContact O-N 3.06Å; D80-Y82 VanDerWaalsContact O-N 3.15Å; Y82-R84 PolarHBondContact O-N 2.88Å; Y82-R84 VanDerWaalsContact O-N 3.14Å
83C25.5Very low25.1Very low73 Ų73146.6 Ų146.649%0.49377%0.766SS.*  trans-68.5104.4157-69.80000107.5I81 T85I81-C83 VanDerWaalsContact C-N 3.31Å; I81-C83 PolarHBondContact O-N 3.25Å; C83-T85 VanDerWaalsContact C-N 3.32Å; C83-T85 PolarHBondContact O-N 2.93Å
84R21.5Very low25.1Very low241 Ų241146.9 Ų146.991%0.90977%0.767SS**  trans-6194.4168.5-101.3-174.3-1751765.3108.5Y82 S86Y82-R84 PolarHBondContact O-N 2.88Å; Y82-R84 VanDerWaalsContact O-N 3.14Å; R84-S86 PolarHBondContact O-N 3.19Å
85T26.1Very low24.8Very low130 Ų130149.4 Ų149.480%0.79877%0.766SS**  trans-71124.2161.441.20000108.4C83 K87C83-T85 VanDerWaalsContact C-N 3.32Å; C83-T85 PolarHBondContact O-N 2.93Å; T85-K87 PolarHBondContact O-N 2.76Å
86S25.5Very low24.9Very low116 Ų116150 Ų15081%0.81177%0.769SS**  trans-52.5123.8174.4-59.20000110.3R84 S88R84-S86 PolarHBondContact O-N 3.19Å; S86-S88 PolarHBondContact O-N 2.97Å; S86-S88 VanDerWaalsContact O-N 3.16Å
87K24.5Very low25Very low218 Ų218150.7 Ų150.795%0.94876%0.764SS**  trans-14102.6171.7-62.2174.1-180176.70114.5T85T85-K87 PolarHBondContact O-N 2.76Å
88S25.7Very low25.6Very low113 Ų113145.8 Ų145.879%0.7975%0.753SS**  trans-138.6149153.7-174.60000109.7S86S86-S88 PolarHBondContact O-N 2.97Å; S86-S88 VanDerWaalsContact O-N 3.16Å
89S26.1Very low26Very low95 Ų95145.8 Ų145.866%0.66475%0.75SS**  trans-52.3126.4-157.950.30000116.5L91S89-L91 PolarHBondContact O-N 3.48Å
90K24.1Very low26.8Very low218 Ų218141.2 Ų141.295%0.94874%0.739SS**  trans22.472137.2-125.2-178.6-172.6-1780115.2
91L26.5Very low28.3Very low158 Ų158137.2 Ų137.283%0.82772%0.722SS**  trans-116.7125.7156.9-86.5158.3000107.9S89S89-L91 PolarHBondContact O-N 3.48Å
92T25.1Very low30Very low115 Ų115137.2 Ų137.271%0.70673%0.725SS**  trans-39.3143176.61.20000111.8N94T92-N94 PolarHBondContact O-N 3.46Å
93P27.1Very low32.7Very low120 Ų120129.2 Ų129.278%0.77970%0.7SS**  trans-75.473.2-172.733.5-34000110R95P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 3.32Å; P93-R95 VanDerWaalsContact O-N 3.08Å
94N24.3Very low35.6Very low142 Ų142125.9 Ų125.976%0.75968%0.678SS**  trans-68.1104.5153.3-79.2-15000104.9T92 L96T92-N94 PolarHBondContact O-N 3.46Å; N94-L96 PolarHBondContact O-N 2.96Å
95R23.3Very low38.9Very low221 Ų221116.7 Ų116.783%0.83465%0.645SS**  trans-50.985.4168.5-71.1-178.5173.5-175.1-3.2108.4P93 N97P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 3.32Å; P93-R95 VanDerWaalsContact O-N 3.08Å; R95-N97 PolarHBondContact O-N 3.48Å
96L27.1Very low42Very low152 Ų152110.5 Ų110.580%0.79661%0.607SS**  trans-68.583.1154.6-79.1164.9000104.3N94 I98N94-L96 PolarHBondContact O-N 2.96Å; L96-I98 PolarHBondContact O-N 3.49Å
97N25.4Very low45Very low134 Ų134108.6 Ų108.672%0.71758%0.583SS**  trans-58.186.8154.3-74.5-15.7000104.7R95 P99R95-N97 PolarHBondContact O-N 3.48Å; N97-P99 WeakPolarHBondContact O-CD 3.36Å; N97-P99 VanDerWaalsContact O-N 3.09Å
98I35.2Very low48Very low108 Ų108100.3 Ų100.355%0.55455%0.552SS**  trans-63.5110.1163.5-59.9167.5000102.5L96 C100 N157L96-I98 PolarHBondContact O-N 3.49Å; I98-C100 PolarHBondContact O-N 2.82Å; I98-N157 HydrophobicContact CG2-CB 4.46Å
99P32.4Very low51.2Low104 Ų10495 Ų9568%0.67552%0.515SS*.  trans-59.1110177.323.5-29.5000106.2N97 S101N97-P99 WeakPolarHBondContact O-CD 3.36Å; N97-P99 VanDerWaalsContact O-N 3.09Å; P99-S101 PolarHBondContact O-N 2.95Å
100C40.6Very low54.2Low80 Ų8090.4 Ų90.454%0.54148%0.483SS..  trans-6999.8177-175.90000106.7I98 V102 I159I98-C100 PolarHBondContact O-N 2.82Å; C100-V102 PolarHBondContact O-N 2.95Å; C100-V102 VanDerWaalsContact O-N 3.17Å; C100-I159 WeakPolarHBondContact SG-CD1 3.28Å
101S55.3Low57.4Low53 Ų5380 Ų8037%0.37144%0.438SS..EExtended strand (participates in β ladder)trans-66.9110.3179.2-54.90000108.5P99P99-S101 PolarHBondContact O-N 2.95Å
102V63.8Low60.4Low81 Ų8173 Ų7349%0.49140%0.401SS..EExtended strand (participates in β ladder)trans30.292.2162.7-168.20000114.3C100 S104 P129C100-V102 PolarHBondContact O-N 2.95Å; C100-V102 VanDerWaalsContact O-N 3.17Å; V102-S104 PolarHBondContact O-N 3.27Å; V102-S104 PolarHBondContact O-OG 3.31Å; V102-P129 HydrophobicContact CG1-CG 3.83Å
103S80.8Confident63.3Low42 Ų4269.7 Ų69.729%0.29439%0.39SS..EExtended strand (participates in β ladder)trans-61.3131.5171.559.90000110.2P129 I159 Y161S103-P129 WeakPolarHBondContact O-CD 3.39Å; S103-P129 WeakPolarHBondContact O-CG 3.44Å; S103-I159 CarbonylContact C-O 3.56Å; S103-I159 WeakPolarHBondContact CA-O 3.37Å; S103-Y161 VanDerWaalsContact CB-CE2 3.49Å
104S88.3Confident66.2Low3 Ų365.2 Ų65.22%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-126.3150.2-174.5-59.10000110.6V102 E126 I159 Y160 Y161V102-S104 PolarHBondContact O-N 3.27Å; V102-S104 PolarHBondContact O-OG 3.31Å; S104-E126 PolarHBondContact OG-OE1 3.5Å; S104-I159 PolarHBondContact N-O 3.32Å; S104-Y160 CarbonylContact O-C 3.5Å; S104-Y160 VanDerWaalsContact O-CA 3.28Å; S104-Y160 WeakPolarHBondContact O-CA 3.46Å; S104-Y161 PolarHBondContact O-N 3.43Å
105E90.8Very high69.2Low47 Ų4761.2 Ų61.222%0.2234%0.336CS..EExtended strand (participates in β ladder)trans-90.6133.8176-59.8-173.3132.400109.6Y107 E126 R127 Y161 R163E105-Y107 HydrophobicContact CB-CD2 4.32Å; E105-Y107 HydrophobicContact CB-CE2 3.68Å; E105-Y107 PolarHBondContact OE2-OH 3.47Å; E105-E126 CarbonylContact O-C 3.56Å; E105-E126 WeakPolarHBondContact O-CA 3.47Å; E105-R127 PolarHBondContact N-O 3.27Å; E105-R127 PolarHBondContact O-N 3.32Å; E105-Y161 CarbonylContact C-O 3.6Å; E105-Y161 WeakPolarHBondContact CA-O 3.22Å; E105-R163 HydrophobicContact CB-CG 4.3Å; E105-R163 IonicContact OE1-CZ 3.16Å; E105-R163 VanDerWaalsContact OE1-CZ 3.28Å; E105-R163 IonicContact OE1-NE 2.69Å; E105-R163 PolarHBondContact OE1-NE 3.49Å; E105-R163 IonicContact OE1-NH2 2.88Å; E105-R163 PolarHBondContact OE1-NH2 3.01Å
106L90.3Very high72Confident0 Ų054.9 Ų54.90%032%0.322CS..EExtended strand (participates in β ladder)trans-115.7112.7178.4-162.972.5000109.5W109 L122 E126 V137 Y160 Y161 L162 R163L106-W109 HydrophobicContact CD2-CB 3.61Å; L106-W109 HydrophobicContact CD2-CG 4.41Å; L106-W109 HydrophobicContact CG-CB 3.82Å; L106-L122 HydrophobicContact CD2-CB 3.96Å; L106-L122 HydrophobicContact CD2-CD1 4.08Å; L106-E126 HydrophobicContact CD1-CB 4.22Å; L106-V137 HydrophobicContact CD1-CG2 3.8Å; L106-Y160 HydrophobicContact CB-CD1 4.19Å; L106-Y160 HydrophobicContact CD1-CD1 4.3Å; L106-Y161 PolarHBondContact N-O 3.16Å; L106-L162 HydrophobicContact CB-CD2 4.04Å; L106-L162 HydrophobicContact CD2-CD2 3.86Å; L106-L162 HydrophobicContact CG-CD2 4.49Å; L106-R163 PolarHBondContact O-N 2.84Å
107Y88.8Confident74.8Confident77 Ų7751.3 Ų51.330%0.30230%0.303SS..EExtended strand (participates in β ladder)trans-101.9156.5179.6-64.2-93.6000111.2E105 W109 I125 R127 R163E105-Y107 HydrophobicContact CB-CD2 4.32Å; E105-Y107 HydrophobicContact CB-CE2 3.68Å; E105-Y107 PolarHBondContact OE2-OH 3.47Å; Y107-W109 PolarHBondContact O-N 3.24Å; Y107-W109 VanDerWaalsContact O-N 3.13Å; Y107-I125 PolarHBondContact N-O 3.36Å; Y107-I125 PolarHBondContact O-N 3.02Å; Y107-R127 HydrophobicContact CD2-CB 4.34Å; Y107-R127 HydrophobicContact CE2-CB 3.93Å; Y107-R163 HydrophobicContact CD1-CB 3.43Å; Y107-R163 VanDerWaalsContact CD1-CB 3.43Å; Y107-R163 HydrophobicContact CD1-CG 3.96Å; Y107-R163 HydrophobicContact CE1-CB 3.57Å; Y107-R163 HydrophobicContact CE1-CG 3.62Å; Y107-R163 HydrophobicContact CE2-CG 4.33Å; Y107-R163 HydrophobicContact CG-CB 4.03Å; Y107-R163 HydrophobicContact CG-CG 4.45Å
108S87.8Confident77.6Confident44 Ų4444.9 Ų44.931%0.30827%0.269SS..EExtended strand (participates in β ladder)trans45.247.3176.9-1620000111.9S167 T170S108-S167 WeakPolarHBondContact OG-CB 3.5Å; S108-S167 PolarHBondContact OG-OG 3.13Å; S108-T170 WeakPolarHBondContact O-CB 3.41Å; S108-T170 WeakPolarHBondContact O-CG2 3.29Å; S108-T170 PolarHBondContact O-OG1 3.49Å; S108-T170 PolarHBondContact OG-OG1 3.46Å
109W91.3Very high80.2Confident0 Ų040.7 Ų40.70%025%0.248CC..EExtended strand (participates in β ladder)trans-90.6155.5-167.762.2-90000111.2L106 Y107 L122 A123 L162 G164 F166 S167 F191 G194 F195L106-W109 HydrophobicContact CD2-CB 3.61Å; L106-W109 HydrophobicContact CD2-CG 4.41Å; L106-W109 HydrophobicContact CG-CB 3.82Å; Y107-W109 PolarHBondContact O-N 3.24Å; Y107-W109 VanDerWaalsContact O-N 3.13Å; W109-L122 HydrophobicContact CE3-CD2 4.14Å; W109-L122 HydrophobicContact CZ3-CD2 4.44Å; W109-A123 CarbonylContact C-O 3.6Å; W109-A123 WeakPolarHBondContact CA-O 3.43Å; W109-L162 HydrophobicContact CB-CD2 4.43Å; W109-L162 HydrophobicContact CD2-CD1 4.08Å; W109-L162 HydrophobicContact CD2-CD2 3.86Å; W109-L162 HydrophobicContact CD2-CG 4.4Å; W109-L162 HydrophobicContact CE3-CD1 4.27Å; W109-L162 HydrophobicContact CE3-CD2 4.4Å; W109-L162 HydrophobicContact CG-CD2 3.81Å; W109-L162 HydrophobicContact CH2-CD1 3.98Å; W109-L162 HydrophobicContact CZ2-CB 4.45Å; W109-L162 HydrophobicContact CZ2-CD1 3.79Å; W109-L162 HydrophobicContact CZ3-CD1 4.21Å; W109-G164 PolarHBondContact NE1-O 2.87Å; W109-F166 HydrophobicContact CH2-CB 4.49Å; W109-S167 PolarHBondContact O-N 3.19Å; W109-F191 HydrophobicContact CH2-CB 4.27Å; W109-F191 AromaticContact CH2-CD1 3.87Å; W109-F191 HydrophobicContact CH2-CD1 3.87Å; W109-F191 HydrophobicContact CZ3-CD1 4.02Å; W109-G194 VanDerWaalsContact CH2-C 3.47Å; W109-G194 WeakPolarHBondContact CH2-O 3.21Å; W109-G194 VanDerWaalsContact CZ2-C 3.44Å; W109-F195 HydrophobicContact CH2-CD2 4.12Å; W109-F195 AromaticContact CZ3-CD2 3.73Å; W109-F195 HydrophobicContact CZ3-CD2 3.73Å; W109-F195 HydrophobicContact CZ3-CE2 4.3Å
110C90.1Very high83.1Confident0 Ų035.7 Ų35.70%022%0.215CC..EExtended strand (participates in β ladder)trans-147.9145.8173.160.20000111.4A123 F166 F171C110-A123 PolarHBondContact N-O 2.91Å; C110-A123 PolarHBondContact O-N 2.95Å; C110-F166 HydrophobicContact CB-CD2 3.74Å; C110-F166 HydrophobicContact CB-CE2 3.68Å; C110-F171 HydrophobicContact CB-CB 3.93Å; C110-F171 HydrophobicContact CB-CD2 4.24Å
111P91.6Very high85.6Confident0 Ų033.1 Ų33.10%020%0.198CC..EExtended strand (participates in β ladder)trans-68135.9169.331.4-35.9000110.5L114 C120 C121 L122 F166 F171 F191 F195 L207P111-L114 HydrophobicContact CB-CD2 3.83Å; P111-L114 HydrophobicContact CG-CD2 4.3Å; P111-C120 HydrophobicContact CB-CB 4.3Å; P111-C121 CarbonylContact C-O 3.6Å; P111-C121 WeakPolarHBondContact CA-O 3.4Å; P111-L122 HydrophobicContact CB-CD2 4.41Å; P111-F166 HydrophobicContact CG-CD2 4.47Å; P111-F166 HydrophobicContact CG-CE2 4.27Å; P111-F171 VanDerWaalsContact O-CD2 3.3Å; P111-F171 WeakPolarHBondContact O-CD2 3.34Å; P111-F171 VanDerWaalsContact O-CE2 3.27Å; P111-F171 WeakPolarHBondContact O-CE2 3.47Å; P111-F191 HydrophobicContact CG-CE1 4.1Å; P111-F191 HydrophobicContact CG-CZ 4.48Å; P111-F195 HydrophobicContact CB-CE2 4.3Å; P111-L207 HydrophobicContact CG-CD2 3.52Å
112V89.2Confident87.4Confident10 Ų1030.6 Ų30.66%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-137.9170179.2-62.60000110.3L114 C120 C121 A123 V138 F171 L174V112-L114 PolarHBondContact O-N 3.46Å; V112-C120 WeakPolarHBondContact O-CB 3.19Å; V112-C121 HydrophobicContact CG2-CB 4.02Å; V112-C121 PolarHBondContact N-O 3.36Å; V112-C121 PolarHBondContact O-N 2.94Å; V112-C121 VanDerWaalsContact O-O 3.07Å; V112-A123 HydrophobicContact CB-CB 4.41Å; V112-A123 HydrophobicContact CG1-CB 3.72Å; V112-A123 HydrophobicContact CG2-CB 3.76Å; V112-V138 HydrophobicContact CG2-CG1 3.94Å; V112-F171 HydrophobicContact CG1-CD2 4.37Å; V112-F171 HydrophobicContact CG1-CE2 4.47Å; V112-L174 HydrophobicContact CG1-CD1 3.61Å
113G86.6Confident88.6Confident45 Ų4526.7 Ų26.746%0.46416%0.157SC..SBendtrans59.535.6-177.200000112Q115G113-Q115 PolarHBondContact O-NE2 3.39Å
114L87.2Confident88.8Confident27 Ų2724.7 Ų24.714%0.14114%0.143CC..  trans-61.4134.8-175.7-51.9169.3000109.7P111 V112 C120 F171 T204 L207 H208 I211P111-L114 HydrophobicContact CB-CD2 3.83Å; P111-L114 HydrophobicContact CG-CD2 4.3Å; V112-L114 PolarHBondContact O-N 3.46Å; L114-C120 HydrophobicContact CD2-CB 3.91Å; L114-F171 HydrophobicContact CD1-CE2 4.36Å; L114-F171 HydrophobicContact CD1-CZ 4.44Å; L114-T204 HydrophobicContact CD2-CG2 3.58Å; L114-L207 HydrophobicContact CD1-CB 4.38Å; L114-L207 HydrophobicContact CD1-CD2 3.94Å; L114-L207 HydrophobicContact CD1-CG 3.69Å; L114-L207 HydrophobicContact CD2-CD2 4.11Å; L114-H208 HydrophobicContact CB-CB 3.97Å; L114-H208 PolarHBondContact O-CD2 3.49Å; L114-H208 VanDerWaalsContact O-CD2 3.29Å; L114-I211 HydrophobicContact CD1-CD1 3.23Å
115Q87.2Confident88.7Confident58 Ų5827.5 Ų27.527%0.27116%0.157SC..  trans-119163.4177.5-79.1158.886.200112.1G113 D117 G118 D119G113-Q115 PolarHBondContact O-NE2 3.39Å; Q115-D117 WeakPolarHBondContact CB-OD1 3.41Å; Q115-D117 PolarHBondContact O-N 2.82Å; Q115-G118 PolarHBondContact O-N 3.15Å; Q115-D119 HydrophobicContact CB-CB 4.23Å; Q115-D119 PolarHBondContact N-O 3.34Å
116V81.7Confident88.5Confident87 Ų8725.5 Ų25.553%0.52715%0.147SC..THydrogen-bonded Turntrans-62.1-26.6-179-173.10000112.3G118 Q205V116-G118 VanDerWaalsContact C-N 3.33Å; V116-Q205 WeakPolarHBondContact O-CG 3.16Å; V116-Q205 PolarHBondContact O-NE2 3.25Å; V116-Q205 VanDerWaalsContact O-NE2 3.07Å
117D85.8Confident88.3Confident77 Ų7730.1 Ų30.141%0.41217%0.165SC..THydrogen-bonded Turntrans-87-1.5177.366.9-13.3000113.7Q115 D119 Q205Q115-D117 WeakPolarHBondContact CB-OD1 3.41Å; Q115-D117 PolarHBondContact O-N 2.82Å; D117-D119 VanDerWaalsContact C-N 3.34Å; D117-D119 WeakPolarHBondContact OD1-CB 3.4Å; D117-D119 PolarHBondContact OD1-N 3.44Å; D117-Q205 VanDerWaalsContact C-NE2 3.25Å; D117-Q205 PolarHBondContact O-NE2 3.34Å
118G84.9Confident88.1Confident0 Ų029.2 Ų29.20%016%0.162CC..SBendtrans83.96.7-17800000114.4Q115 V116 W200 R201 T204Q115-G118 PolarHBondContact O-N 3.15Å; V116-G118 VanDerWaalsContact C-N 3.33Å; G118-W200 VanDerWaalsContact O-CZ3 3.22Å; G118-W200 WeakPolarHBondContact O-CZ3 3.48Å; G118-R201 WeakPolarHBondContact CA-O 3.41Å; G118-T204 WeakPolarHBondContact O-CB 3.36Å; G118-T204 VanDerWaalsContact O-CG2 3.3Å; G118-T204 WeakPolarHBondContact O-CG2 3.24Å
119D90.1Very high87.6Confident19 Ų1930 Ų3010%0.10217%0.167CC..  trans-64.8144.2165.2-87.31.2000110.3Q115 D117 R141 R201Q115-D119 HydrophobicContact CB-CB 4.23Å; Q115-D119 PolarHBondContact N-O 3.34Å; D117-D119 VanDerWaalsContact C-N 3.34Å; D117-D119 WeakPolarHBondContact OD1-CB 3.4Å; D117-D119 PolarHBondContact OD1-N 3.44Å; D119-R141 IonicContact OD2-CZ 2.71Å; D119-R141 IonicContact OD2-NH1 3.93Å; D119-R141 PolarHBondContact OD2-NH1 3.48Å; D119-R201 IonicContact OD1-CZ 2.75Å; D119-R201 IonicContact OD1-NH1 2.76Å; D119-R201 PolarHBondContact OD1-NH1 3.1Å; D119-R201 IonicContact OD1-NH2 3.1Å; D119-R201 PolarHBondContact OD1-NH2 3.16Å
120C92.3Very high86.8Confident0 Ų038.3 Ų38.30%021%0.211CC..  trans-153161.9172.761.80000110.8P111 V112 L114 R141 V142 T204P111-C120 HydrophobicContact CB-CB 4.3Å; V112-C120 WeakPolarHBondContact O-CB 3.19Å; L114-C120 HydrophobicContact CD2-CB 3.91Å; C120-R141 WeakPolarHBondContact O-CA 3.47Å; C120-V142 PolarHBondContact O-N 3.4Å; C120-T204 HydrophobicContact CB-CG2 3.64Å
121C93.7Very high86.1Confident25 Ų2542.3 Ų42.317%0.16923%0.23CC..EExtended strand (participates in β ladder)trans-96.3170159-62.60000109.3P111 V112 V138 T139P111-C121 CarbonylContact C-O 3.6Å; P111-C121 WeakPolarHBondContact CA-O 3.4Å; V112-C121 HydrophobicContact CG2-CB 4.02Å; V112-C121 PolarHBondContact N-O 3.36Å; V112-C121 PolarHBondContact O-N 2.94Å; V112-C121 VanDerWaalsContact O-O 3.07Å; C121-V138 HydrophobicContact CB-CG1 4.26Å; C121-T139 VanDerWaalsContact CB-O 3.3Å; C121-T139 WeakPolarHBondContact CB-O 3.25Å; C121-T139 PolarHBondContact SG-O 3.15Å; C121-T139 VanDerWaalsContact SG-O 3.42Å
122L93.2Very high85.2Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-107.6146.4167.8-61.9178.1000109.5L106 W109 P111 V138 T139 V142 V152 L162 F195L106-L122 HydrophobicContact CD2-CB 3.96Å; L106-L122 HydrophobicContact CD2-CD1 4.08Å; W109-L122 HydrophobicContact CE3-CD2 4.14Å; W109-L122 HydrophobicContact CZ3-CD2 4.44Å; P111-L122 HydrophobicContact CB-CD2 4.41Å; L122-V138 CarbonylContact O-C 3.58Å; L122-V138 WeakPolarHBondContact O-CA 3.4Å; L122-T139 HydrophobicContact CB-CG2 3.93Å; L122-T139 WeakPolarHBondContact CB-OG1 3.4Å; L122-T139 PolarHBondContact N-OG1 3.2Å; L122-T139 PolarHBondContact O-N 3.1Å; L122-T139 PolarHBondContact O-OG1 2.86Å; L122-V142 HydrophobicContact CD1-CG2 4.27Å; L122-V142 HydrophobicContact CD2-CG2 4.27Å; L122-V142 HydrophobicContact CG-CG2 3.81Å; L122-V152 HydrophobicContact CD1-CB 3.98Å; L122-V152 HydrophobicContact CD1-CG1 3.74Å; L122-V152 HydrophobicContact CD1-CG2 4.17Å; L122-L162 HydrophobicContact CD1-CD2 3.97Å; L122-F195 HydrophobicContact CD2-CD2 4.04Å; L122-F195 HydrophobicContact CD2-CE2 3.66Å
123A88.2Confident84.6Confident0 Ų054.2 Ų54.20%030%0.295CS..EExtended strand (participates in β ladder)trans-123.3145.916600000109.3W109 C110 V112 F136 V137 V138 L174W109-A123 CarbonylContact C-O 3.6Å; W109-A123 WeakPolarHBondContact CA-O 3.43Å; C110-A123 PolarHBondContact N-O 2.91Å; C110-A123 PolarHBondContact O-N 2.95Å; V112-A123 HydrophobicContact CB-CB 4.41Å; V112-A123 HydrophobicContact CG1-CB 3.72Å; V112-A123 HydrophobicContact CG2-CB 3.76Å; A123-F136 HydrophobicContact CB-CE2 4.4Å; A123-F136 HydrophobicContact CB-CZ 3.85Å; A123-V137 CarbonylContact C-O 3.59Å; A123-V137 VanDerWaalsContact CA-O 3.27Å; A123-V137 WeakPolarHBondContact CA-O 3.28Å; A123-V138 HydrophobicContact CB-CG2 4.12Å; A123-L174 HydrophobicContact CB-CD1 3.32Å
124G86.2Confident84.4Confident0 Ų055.6 Ų55.60%030%0.297CS..EExtended strand (participates in β ladder)trans171.7-172.9-179.600000112.7F136 V137G124-F136 CarbonylContact O-C 3.51Å; G124-F136 WeakPolarHBondContact O-CA 3.32Å; G124-F136 WeakPolarHBondContact O-CD2 3.42Å; G124-V137 PolarHBondContact N-O 3.13Å; G124-V137 PolarHBondContact O-N 3.11Å
125I85.6Confident84.2Confident61 Ų6160.4 Ų60.431%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-94.1105.7179.2-59.3174.4000107.8Y107 C134 R135Y107-I125 PolarHBondContact N-O 3.36Å; Y107-I125 PolarHBondContact O-N 3.02Å; I125-C134 HydrophobicContact CG2-CB 3.52Å; I125-R135 CarbonylContact C-O 3.6Å
126E87.8Confident84.1Confident6 Ų662.5 Ų62.53%0.02832%0.322CS..EExtended strand (participates in β ladder)trans-81133.4175.2-175.4-168-160.400110.3S104 E105 L106 K128 C134 R135 V137 Y160S104-E126 PolarHBondContact OG-OE1 3.5Å; E105-E126 CarbonylContact O-C 3.56Å; E105-E126 WeakPolarHBondContact O-CA 3.47Å; L106-E126 HydrophobicContact CD1-CB 4.22Å; E126-K128 HydrophobicContact CG-CG 4.44Å; E126-K128 VanDerWaalsContact OE1-CE 3.24Å; E126-K128 WeakPolarHBondContact OE1-CE 3.3Å; E126-C134 WeakPolarHBondContact O-CA 3.22Å; E126-R135 HydrophobicContact CB-CG 4.4Å; E126-R135 PolarHBondContact N-O 3.21Å; E126-R135 PolarHBondContact O-N 3.16Å; E126-R135 IonicContact OE1-NH2 3.15Å; E126-R135 IonicContact OE2-CZ 2.9Å; E126-R135 IonicContact OE2-NE 2.73Å; E126-R135 PolarHBondContact OE2-NE 3.33Å; E126-R135 IonicContact OE2-NH2 3.79Å; E126-R135 PolarHBondContact OE2-NH2 3.37Å; E126-V137 HydrophobicContact CB-CB 4.38Å; E126-V137 HydrophobicContact CB-CG1 3.83Å; E126-V137 HydrophobicContact CB-CG2 3.61Å; E126-V137 VanDerWaalsContact OE2-CG1 3.29Å; E126-V137 WeakPolarHBondContact OE2-CG1 3.37Å; E126-Y160 HydrophobicContact CG-CE1 4.23Å
127R84.7Confident84.3Confident96 Ų9659.2 Ų59.236%0.36230%0.302SS..EExtended strand (participates in β ladder)trans-123.5115.2165-173.2-177.1-178.4-176.70.9108.9E105 Y107 Q131E105-R127 PolarHBondContact N-O 3.27Å; E105-R127 PolarHBondContact O-N 3.32Å; Y107-R127 HydrophobicContact CD2-CB 4.34Å; Y107-R127 HydrophobicContact CE2-CB 3.93Å; R127-Q131 PolarHBondContact NE-O 3.42Å
128K85.5Confident84.4Confident58 Ų5859.8 Ų59.825%0.25231%0.308SS..  trans-75.1150.8174.2-68.3-172.9173-174.50110.9E126 N130 Q131E126-K128 HydrophobicContact CG-CG 4.44Å; E126-K128 VanDerWaalsContact OE1-CE 3.24Å; E126-K128 WeakPolarHBondContact OE1-CE 3.3Å; K128-N130 PolarHBondContact O-N 3.39Å; K128-Q131 HydrophobicContact CB-CB 4.17Å; K128-Q131 HydrophobicContact CB-CG 3.97Å; K128-Q131 PolarHBondContact O-N 3.43Å
129P77.6Confident84.7Confident62 Ų6260 Ų6040%0.40331%0.31SS..THydrogen-bonded Turntrans-57.6133.8173.623-32.8000108.3V102 S103 Q131V102-P129 HydrophobicContact CG1-CG 3.83Å; S103-P129 WeakPolarHBondContact O-CD 3.39Å; S103-P129 WeakPolarHBondContact O-CG 3.44Å; P129-Q131 PolarHBondContact O-N 3.02Å
130N74.1Confident84.7Confident174 Ų17463 Ų6393%0.9333%0.325SS*.THydrogen-bonded Turntrans68.37.7-177.9-46-39000115.9K128K128-N130 PolarHBondContact O-N 3.39Å
131Q74.5Confident84.7Confident84 Ų8466.8 Ų66.839%0.39334%0.34SS..  trans-100.1130.8169.3-65.8-171.1-1100110.7R127 K128 P129R127-Q131 PolarHBondContact NE-O 3.42Å; K128-Q131 HydrophobicContact CB-CB 4.17Å; K128-Q131 HydrophobicContact CB-CG 3.97Å; K128-Q131 PolarHBondContact O-N 3.43Å; P129-Q131 PolarHBondContact O-N 3.02Å
132M73.6Confident84.6Confident182 Ų18265.7 Ų65.790%0.89733%0.332SS*.  trans-78.6-26.3169.2-84178154.400111.9
133S76.1Confident84.5Confident77 Ų7768.3 Ų68.354%0.53835%0.35SS..  trans-77.1130.5178.255.90000111
134C82Confident84.6Confident74 Ų7470.2 Ų70.250%0.536%0.363SS..EExtended strand (participates in β ladder)trans-95.9145.7166-62.30000109.1I125 E126I125-C134 HydrophobicContact CG2-CB 3.52Å; E126-C134 WeakPolarHBondContact O-CA 3.22Å
135R83.5Confident84.8Confident129 Ų12971.4 Ų71.449%0.48737%0.371SS..EExtended strand (participates in β ladder)trans-133.5146.2172.661.8175.9-174.2170.48.2110.5I125 E126 V137I125-R135 CarbonylContact C-O 3.6Å; E126-R135 HydrophobicContact CB-CG 4.4Å; E126-R135 PolarHBondContact N-O 3.21Å; E126-R135 PolarHBondContact O-N 3.16Å; E126-R135 IonicContact OE1-NH2 3.15Å; E126-R135 IonicContact OE2-CZ 2.9Å; E126-R135 IonicContact OE2-NE 2.73Å; E126-R135 PolarHBondContact OE2-NE 3.33Å; E126-R135 IonicContact OE2-NH2 3.79Å; E126-R135 PolarHBondContact OE2-NH2 3.37Å; R135-V137 HydrophobicContact CG-CG1 3.87Å
136F84.4Confident85.1Confident101 Ų10169.7 Ų69.744%0.44336%0.364SS..EExtended strand (participates in β ladder)trans-73.6130.8170.3-176.3-94.8000109.3A123 G124 V138 T170 L174A123-F136 HydrophobicContact CB-CE2 4.4Å; A123-F136 HydrophobicContact CB-CZ 3.85Å; G124-F136 CarbonylContact O-C 3.51Å; G124-F136 WeakPolarHBondContact O-CA 3.32Å; G124-F136 WeakPolarHBondContact O-CD2 3.42Å; F136-V138 HydrophobicContact CE1-CG2 3.97Å; F136-V138 HydrophobicContact CZ-CG2 4.47Å; F136-T170 HydrophobicContact CE2-CG2 3.94Å; F136-L174 HydrophobicContact CE1-CD2 3.9Å; F136-L174 HydrophobicContact CE2-CD1 4.46Å; F136-L174 HydrophobicContact CZ-CD1 3.75Å; F136-L174 HydrophobicContact CZ-CD2 3.56Å; F136-L174 HydrophobicContact CZ-CG 4.05Å
137V85.7Confident85Confident18 Ų1877.8 Ų77.811%0.10940%0.402CS..EExtended strand (participates in β ladder)trans-132.3149.3177-590000111L106 A123 G124 E126 R135 T139L106-V137 HydrophobicContact CD1-CG2 3.8Å; A123-V137 CarbonylContact C-O 3.59Å; A123-V137 VanDerWaalsContact CA-O 3.27Å; A123-V137 WeakPolarHBondContact CA-O 3.28Å; G124-V137 PolarHBondContact N-O 3.13Å; G124-V137 PolarHBondContact O-N 3.11Å; E126-V137 HydrophobicContact CB-CB 4.38Å; E126-V137 HydrophobicContact CB-CG1 3.83Å; E126-V137 HydrophobicContact CB-CG2 3.61Å; E126-V137 VanDerWaalsContact OE2-CG1 3.29Å; E126-V137 WeakPolarHBondContact OE2-CG1 3.37Å; R135-V137 HydrophobicContact CG-CG1 3.87Å; V137-T139 HydrophobicContact CG2-CG2 4.42Å
138V89.8Confident85.1Confident89 Ų8977.4 Ų77.454%0.53941%0.407SS..EExtended strand (participates in β ladder)trans-108.6120.6159-177.30000106.1V112 C121 L122 A123 F136V112-V138 HydrophobicContact CG2-CG1 3.94Å; C121-V138 HydrophobicContact CB-CG1 4.26Å; L122-V138 CarbonylContact O-C 3.58Å; L122-V138 WeakPolarHBondContact O-CA 3.4Å; A123-V138 HydrophobicContact CB-CG2 4.12Å; F136-V138 HydrophobicContact CE1-CG2 3.97Å; F136-V138 HydrophobicContact CZ-CG2 4.47Å
139T89.5Confident85.3Confident6 Ų674.6 Ų74.64%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-76.3168.2-179.175.70000110.9C121 L122 V137 Y160C121-T139 VanDerWaalsContact CB-O 3.3Å; C121-T139 WeakPolarHBondContact CB-O 3.25Å; C121-T139 PolarHBondContact SG-O 3.15Å; C121-T139 VanDerWaalsContact SG-O 3.42Å; L122-T139 HydrophobicContact CB-CG2 3.93Å; L122-T139 WeakPolarHBondContact CB-OG1 3.4Å; L122-T139 PolarHBondContact N-OG1 3.2Å; L122-T139 PolarHBondContact O-N 3.1Å; L122-T139 PolarHBondContact O-OG1 2.86Å; V137-T139 HydrophobicContact CG2-CG2 4.42Å; T139-Y160 HydrophobicContact CG2-CD2 4.06Å; T139-Y160 HydrophobicContact CG2-CE1 4.08Å; T139-Y160 HydrophobicContact CG2-CE2 3.58Å; T139-Y160 HydrophobicContact CG2-CG 4.5Å
140N89.9Confident85.9Confident81 Ų8176.2 Ų76.243%0.43340%0.397SS..EExtended strand (participates in β ladder)trans-67.8175162.4-76.3-48.4000111.2V142 T154 D156N140-V142 PolarHBondContact O-N 3.38Å; N140-T154 WeakPolarHBondContact O-CG2 3.27Å; N140-D156 VanDerWaalsContact ND2-CG 3.27Å; N140-D156 PolarHBondContact ND2-OD2 3.4Å
141R92.4Very high86.8Confident80 Ų8069.2 Ų69.230%0.30236%0.359SS..EExtended strand (participates in β ladder)trans-56.2140.3-180-67.5178.2175.7-112.1-4.2110.6D119 C120 S143 T154 E155D119-R141 IonicContact OD2-CZ 2.71Å; D119-R141 IonicContact OD2-NH1 3.93Å; D119-R141 PolarHBondContact OD2-NH1 3.48Å; C120-R141 WeakPolarHBondContact O-CA 3.47Å; R141-S143 PolarHBondContact O-N 2.85Å; R141-T154 CarbonylContact O-C 3.56Å; R141-T154 WeakPolarHBondContact O-CA 3.47Å; R141-T154 WeakPolarHBondContact O-CB 3.22Å; R141-E155 HydrophobicContact CB-CG 3.95Å; R141-E155 WeakPolarHBondContact CD-OE1 3.41Å; R141-E155 PolarHBondContact O-N 2.92Å
142V92.5Very high87.7Confident2 Ų265.2 Ų65.21%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-67.5116.3174.9173.20000108.9C120 L122 N140 V145 V152 W200C120-V142 PolarHBondContact O-N 3.4Å; L122-V142 HydrophobicContact CD1-CG2 4.27Å; L122-V142 HydrophobicContact CD2-CG2 4.27Å; L122-V142 HydrophobicContact CG-CG2 3.81Å; N140-V142 PolarHBondContact O-N 3.38Å; V142-V145 HydrophobicContact CG1-CG2 3.86Å; V142-V152 HydrophobicContact CB-CG1 4.21Å; V142-V152 HydrophobicContact CG1-CG1 3.61Å; V142-V152 HydrophobicContact CG2-CG1 3.77Å; V142-W200 HydrophobicContact CB-CH2 4.2Å; V142-W200 HydrophobicContact CB-CZ3 4.48Å; V142-W200 HydrophobicContact CG1-CH2 3.93Å; V142-W200 HydrophobicContact CG1-CZ2 4.13Å; V142-W200 HydrophobicContact CG1-CZ3 4.29Å
143S91.2Very high88.6Confident54 Ų5457.5 Ų57.538%0.37830%0.304SS..EExtended strand (participates in β ladder)trans-91.1-42.4179.562.70000111.4R141 C153 T154R141-S143 PolarHBondContact O-N 2.85Å; S143-C153 PolarHBondContact N-O 2.83Å; S143-C153 VanDerWaalsContact OG-C 3.28Å; S143-C153 PolarHBondContact OG-O 3.33Å; S143-T154 VanDerWaalsContact OG-C 3.27Å; S143-T154 PolarHBondContact OG-O 2.77Å; S143-T154 VanDerWaalsContact OG-O 3.08Å
144C89.7Confident89.4Confident41 Ų4153.9 Ų53.928%0.27728%0.279SS..EExtended strand (participates in β ladder)trans-152.3161.8173.668.60000113.3C153C144-C153 PolarHBondContact N-O 3.24Å; C144-C153 PolarHBondContact O-N 3.25Å; C144-C153 WeakPolarHBondContact SG-CB 3.28Å; C144-C153 VanDerWaalsContact SG-SG 3.67Å
145V91.6Very high89.7Confident25 Ų2556 Ų5615%0.15228%0.281CS..EExtended strand (participates in β ladder)trans-128.7133.9-179.2-177.60000107.5V142 V152 F195 W200V142-V145 HydrophobicContact CG1-CG2 3.86Å; V145-V152 HydrophobicContact CG1-CG2 4.41Å; V145-V152 HydrophobicContact CG2-CG2 4.3Å; V145-F195 HydrophobicContact CB-CD1 4.49Å; V145-F195 HydrophobicContact CG1-CB 3.85Å; V145-F195 HydrophobicContact CG1-CD1 4.13Å; V145-F195 HydrophobicContact CG1-CG 4.37Å; V145-F195 HydrophobicContact CG2-CD1 3.62Å; V145-F195 HydrophobicContact CG2-CE1 4.1Å; V145-F195 HydrophobicContact CG2-CG 4.24Å; V145-W200 HydrophobicContact CG2-CD2 4.15Å; V145-W200 HydrophobicContact CG2-CG 4.02Å
146S90.6Very high89.9Confident25 Ų2552.4 Ų52.418%0.17527%0.272CS..  trans-64.3160.817653.10000113.3N148 G149 Q150 I151S146-N148 PolarHBondContact O-N 2.9Å; S146-N148 VanDerWaalsContact O-N 3.12Å; S146-N148 PolarHBondContact OG-OD1 3.45Å; S146-G149 PolarHBondContact O-N 3.44Å; S146-Q150 PolarHBondContact OG-N 2.94Å; S146-I151 WeakPolarHBondContact CB-O 3.49Å; S146-I151 PolarHBondContact N-O 2.99Å; S146-I151 WeakPolarHBondContact OG-CA 3.43Å; S146-I151 WeakPolarHBondContact OG-CB 3.43Å; S146-I151 PolarHBondContact OG-N 2.83Å; S146-I151 PolarHBondContact OG-O 2.87Å
147E86.9Confident90Very high176 Ų17651.7 Ų51.782%0.82227%0.273SS*.THydrogen-bonded Turntrans-61.6-21.8-178.5-62.9-175166.700114.4A197E147-A197 WeakPolarHBondContact O-CB 3.29Å
148N86.1Confident90.1Very high87 Ų8752.9 Ų52.947%0.46528%0.278SS..THydrogen-bonded Turntrans-96.7-3.7175.469.4-1.7000113.1S146 Q150S146-N148 PolarHBondContact O-N 2.9Å; S146-N148 VanDerWaalsContact O-N 3.12Å; S146-N148 PolarHBondContact OG-OD1 3.45Å; N148-Q150 PolarHBondContact ND2-OE1 2.91Å; N148-Q150 PolarHBondContact O-N 3.36Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.28Å; N148-Q150 PolarHBondContact OD1-N 3.19Å
149G89.1Confident90.2Very high0 Ų049.7 Ų49.70%026%0.258CS..SBendtrans76.3-3.1-178.800000115.5S146 F195S146-G149 PolarHBondContact O-N 3.44Å; G149-F195 WeakPolarHBondContact CA-O 3.34Å; G149-F195 WeakPolarHBondContact O-CB 3.37Å; G149-F195 PolarHBondContact O-N 2.71Å
150Q91.6Very high90.4Very high96 Ų9650 Ų5045%0.44926%0.259SS..SBendtrans-92.1-16.9-171.7-63.3-177.3-24.700113.2S146 N148 Y161 L162S146-Q150 PolarHBondContact OG-N 2.94Å; N148-Q150 PolarHBondContact ND2-OE1 2.91Å; N148-Q150 PolarHBondContact O-N 3.36Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.28Å; N148-Q150 PolarHBondContact OD1-N 3.19Å; Q150-Y161 CarbonylContact O-C 3.51Å; Q150-Y161 WeakPolarHBondContact O-CA 3.46Å; Q150-L162 WeakPolarHBondContact O-CB 3.47Å; Q150-L162 PolarHBondContact O-N 3.38Å
151I91.7Very high90.5Very high27 Ų2750.3 Ų50.314%0.13825%0.254CS..EExtended strand (participates in β ladder)trans-116.4126.9177.9-47.9175.4000108.1I81 S146 I159 Y160 Y161I81-I151 HydrophobicContact CD1-CD1 4.07Å; S146-I151 WeakPolarHBondContact CB-O 3.49Å; S146-I151 PolarHBondContact N-O 2.99Å; S146-I151 WeakPolarHBondContact OG-CA 3.43Å; S146-I151 WeakPolarHBondContact OG-CB 3.43Å; S146-I151 PolarHBondContact OG-N 2.83Å; S146-I151 PolarHBondContact OG-O 2.87Å; I151-I159 HydrophobicContact CG2-CG2 3.4Å; I151-I159 VanDerWaalsContact CG2-CG2 3.4Å; I151-Y160 WeakPolarHBondContact CA-O 3.48Å; I151-Y161 HydrophobicContact CD1-CD1 4.15Å; I151-Y161 HydrophobicContact CD1-CE1 3.62Å; I151-Y161 HydrophobicContact CG1-CD1 3.74Å; I151-Y161 HydrophobicContact CG1-CE1 3.74Å
152V93.2Very high90.5Very high0 Ų046.9 Ų46.90%024%0.242CC..EExtended strand (participates in β ladder)trans-121132.3175.9177.30000109.1L122 V142 V145 Y160 L162 F195L122-V152 HydrophobicContact CD1-CB 3.98Å; L122-V152 HydrophobicContact CD1-CG1 3.74Å; L122-V152 HydrophobicContact CD1-CG2 4.17Å; V142-V152 HydrophobicContact CB-CG1 4.21Å; V142-V152 HydrophobicContact CG1-CG1 3.61Å; V142-V152 HydrophobicContact CG2-CG1 3.77Å; V145-V152 HydrophobicContact CG1-CG2 4.41Å; V145-V152 HydrophobicContact CG2-CG2 4.3Å; V152-Y160 PolarHBondContact N-O 3.01Å; V152-Y160 PolarHBondContact O-N 3.35Å; V152-L162 HydrophobicContact CG2-CD1 3.56Å; V152-L162 HydrophobicContact CG2-CD2 4.5Å; V152-L162 HydrophobicContact CG2-CG 4Å; V152-F195 HydrophobicContact CG2-CB 4.07Å; V152-F195 HydrophobicContact CG2-CD2 4.5Å; V152-F195 HydrophobicContact CG2-CG 4.33Å
153C92.8Very high90.2Very high20 Ų2052.7 Ų52.714%0.13526%0.264CS..EExtended strand (participates in β ladder)trans-105.3144.7171.2-52.80000109.4S143 C144 N158S143-C153 PolarHBondContact N-O 2.83Å; S143-C153 VanDerWaalsContact OG-C 3.28Å; S143-C153 PolarHBondContact OG-O 3.33Å; C144-C153 PolarHBondContact N-O 3.24Å; C144-C153 PolarHBondContact O-N 3.25Å; C144-C153 WeakPolarHBondContact SG-CB 3.28Å; C144-C153 VanDerWaalsContact SG-SG 3.67Å; C153-N158 WeakPolarHBondContact CA-O 3.29Å
154T92.5Very high89.9Confident0 Ų052.8 Ų52.80%027%0.273CS..EExtended strand (participates in β ladder)trans-110168.2178.846.70000111.4N140 R141 S143 D156 N157 N158 Y160N140-T154 WeakPolarHBondContact O-CG2 3.27Å; R141-T154 CarbonylContact O-C 3.56Å; R141-T154 WeakPolarHBondContact O-CA 3.47Å; R141-T154 WeakPolarHBondContact O-CB 3.22Å; S143-T154 VanDerWaalsContact OG-C 3.27Å; S143-T154 PolarHBondContact OG-O 2.77Å; S143-T154 VanDerWaalsContact OG-O 3.08Å; T154-D156 VanDerWaalsContact CB-OD1 3.25Å; T154-D156 WeakPolarHBondContact CB-OD1 3.29Å; T154-D156 PolarHBondContact O-N 2.83Å; T154-D156 PolarHBondContact OG1-OD1 3.27Å; T154-N157 PolarHBondContact O-N 3.27Å; T154-N158 PolarHBondContact N-O 2.74Å; T154-N158 WeakPolarHBondContact OG1-CB 3.41Å; T154-N158 PolarHBondContact OG1-O 3.46Å; T154-Y160 HydrophobicContact CG2-CD2 4.11Å; T154-Y160 HydrophobicContact CG2-CE2 4Å
155E89.3Confident89.7Confident118 Ų11852 Ų5255%0.55127%0.272SS*.THydrogen-bonded Turntrans-60.2-26.3-177.6-76.1-178.9168.300114.3R141 N157R141-E155 HydrophobicContact CB-CG 3.95Å; R141-E155 WeakPolarHBondContact CD-OE1 3.41Å; R141-E155 PolarHBondContact O-N 2.92Å; E155-N157 PolarHBondContact O-N 2.89Å
156D86.4Confident89.3Confident55 Ų5551.8 Ų51.829%0.29427%0.269SS..THydrogen-bonded Turntrans-81.710.9174.259-1.6000113.5N140 T154 N158N140-D156 VanDerWaalsContact ND2-CG 3.27Å; N140-D156 PolarHBondContact ND2-OD2 3.4Å; T154-D156 VanDerWaalsContact CB-OD1 3.25Å; T154-D156 WeakPolarHBondContact CB-OD1 3.29Å; T154-D156 PolarHBondContact O-N 2.83Å; T154-D156 PolarHBondContact OG1-OD1 3.27Å; D156-N158 PolarHBondContact O-N 3.45Å; D156-N158 WeakPolarHBondContact OD1-CB 3.34Å; D156-N158 PolarHBondContact OD1-N 3.4Å; D156-N158 PolarHBondContact OD1-ND2 2.99Å; D156-N158 PolarHBondContact OD2-ND2 2.99Å
157N86.6Confident89.1Confident85 Ų8551.4 Ų51.446%0.45527%0.266SS..  trans60.420.8-176.7-60.2-30.6000114.7I98 T154 E155I98-N157 HydrophobicContact CG2-CB 4.46Å; T154-N157 PolarHBondContact O-N 3.27Å; E155-N157 PolarHBondContact O-N 2.89Å
158N89.4Confident89Confident43 Ų4344.3 Ų44.323%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-76.1143.2168.6-70.9-39.8000110.4C153 T154 D156 Y160C153-N158 WeakPolarHBondContact CA-O 3.29Å; T154-N158 PolarHBondContact N-O 2.74Å; T154-N158 WeakPolarHBondContact OG1-CB 3.41Å; T154-N158 PolarHBondContact OG1-O 3.46Å; D156-N158 PolarHBondContact O-N 3.45Å; D156-N158 WeakPolarHBondContact OD1-CB 3.34Å; D156-N158 PolarHBondContact OD1-N 3.4Å; D156-N158 PolarHBondContact OD1-ND2 2.99Å; D156-N158 PolarHBondContact OD2-ND2 2.99Å; N158-Y160 HydrophobicContact CB-CD2 4.49Å; N158-Y160 HydrophobicContact CB-CE2 3.72Å
159I91.6Very high88.6Confident23 Ų2343.1 Ų43.112%0.11823%0.228CC..EExtended strand (participates in β ladder)trans-112.2123.2178.6-57.9-165000109.4C100 S103 S104 I151C100-I159 WeakPolarHBondContact SG-CD1 3.28Å; S103-I159 CarbonylContact C-O 3.56Å; S103-I159 WeakPolarHBondContact CA-O 3.37Å; S104-I159 PolarHBondContact N-O 3.32Å; I151-I159 HydrophobicContact CG2-CG2 3.4Å; I151-I159 VanDerWaalsContact CG2-CG2 3.4Å
160Y92.8Very high88.1Confident12 Ų1243.9 Ų43.95%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-111.8123.9177.5-65-82.8000111.3S104 L106 E126 T139 I151 V152 T154 N158S104-Y160 CarbonylContact O-C 3.5Å; S104-Y160 VanDerWaalsContact O-CA 3.28Å; S104-Y160 WeakPolarHBondContact O-CA 3.46Å; L106-Y160 HydrophobicContact CB-CD1 4.19Å; L106-Y160 HydrophobicContact CD1-CD1 4.3Å; E126-Y160 HydrophobicContact CG-CE1 4.23Å; T139-Y160 HydrophobicContact CG2-CD2 4.06Å; T139-Y160 HydrophobicContact CG2-CE1 4.08Å; T139-Y160 HydrophobicContact CG2-CE2 3.58Å; T139-Y160 HydrophobicContact CG2-CG 4.5Å; I151-Y160 WeakPolarHBondContact CA-O 3.48Å; V152-Y160 PolarHBondContact N-O 3.01Å; V152-Y160 PolarHBondContact O-N 3.35Å; T154-Y160 HydrophobicContact CG2-CD2 4.11Å; T154-Y160 HydrophobicContact CG2-CE2 4Å; N158-Y160 HydrophobicContact CB-CD2 4.49Å; N158-Y160 HydrophobicContact CB-CE2 3.72Å
161Y92.4Very high87.7Confident87 Ų8739.3 Ų39.334%0.34121%0.212SC..EExtended strand (participates in β ladder)trans-85.5106.9166.1-66.9-77.8000109.4S103 S104 E105 L106 Q150 I151 R163S103-Y161 VanDerWaalsContact CB-CE2 3.49Å; S104-Y161 PolarHBondContact O-N 3.43Å; E105-Y161 CarbonylContact C-O 3.6Å; E105-Y161 WeakPolarHBondContact CA-O 3.22Å; L106-Y161 PolarHBondContact N-O 3.16Å; Q150-Y161 CarbonylContact O-C 3.51Å; Q150-Y161 WeakPolarHBondContact O-CA 3.46Å; I151-Y161 HydrophobicContact CD1-CD1 4.15Å; I151-Y161 HydrophobicContact CD1-CE1 3.62Å; I151-Y161 HydrophobicContact CG1-CD1 3.74Å; I151-Y161 HydrophobicContact CG1-CE1 3.74Å; Y161-R163 PolarHBondContact O-N 2.96Å
162L92.3Very high87.1Confident9 Ų939.7 Ų39.75%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-69.5121.2176.2-61.2-172.4000110.4L106 W109 L122 Q150 V152 F195L106-L162 HydrophobicContact CB-CD2 4.04Å; L106-L162 HydrophobicContact CD2-CD2 3.86Å; L106-L162 HydrophobicContact CG-CD2 4.49Å; W109-L162 HydrophobicContact CB-CD2 4.43Å; W109-L162 HydrophobicContact CD2-CD1 4.08Å; W109-L162 HydrophobicContact CD2-CD2 3.86Å; W109-L162 HydrophobicContact CD2-CG 4.4Å; W109-L162 HydrophobicContact CE3-CD1 4.27Å; W109-L162 HydrophobicContact CE3-CD2 4.4Å; W109-L162 HydrophobicContact CG-CD2 3.81Å; W109-L162 HydrophobicContact CH2-CD1 3.98Å; W109-L162 HydrophobicContact CZ2-CB 4.45Å; W109-L162 HydrophobicContact CZ2-CD1 3.79Å; W109-L162 HydrophobicContact CZ3-CD1 4.21Å; L122-L162 HydrophobicContact CD1-CD2 3.97Å; Q150-L162 WeakPolarHBondContact O-CB 3.47Å; Q150-L162 PolarHBondContact O-N 3.38Å; V152-L162 HydrophobicContact CG2-CD1 3.56Å; V152-L162 HydrophobicContact CG2-CD2 4.5Å; V152-L162 HydrophobicContact CG2-CG 4Å; L162-F195 HydrophobicContact CD1-CB 3.8Å; L162-F195 HydrophobicContact CD1-CD2 4.39Å
163R87.1Confident86.1Confident123 Ų12340.9 Ų40.946%0.46423%0.226SC..EExtended strand (participates in β ladder)trans-105.4117.4175.6-65.5-61.8-167.6-176.5-0.2109.3E105 L106 Y107 Y161E105-R163 HydrophobicContact CB-CG 4.3Å; E105-R163 IonicContact OE1-CZ 3.16Å; E105-R163 VanDerWaalsContact OE1-CZ 3.28Å; E105-R163 IonicContact OE1-NE 2.69Å; E105-R163 PolarHBondContact OE1-NE 3.49Å; E105-R163 IonicContact OE1-NH2 2.88Å; E105-R163 PolarHBondContact OE1-NH2 3.01Å; L106-R163 PolarHBondContact O-N 2.84Å; Y107-R163 HydrophobicContact CD1-CB 3.43Å; Y107-R163 VanDerWaalsContact CD1-CB 3.43Å; Y107-R163 HydrophobicContact CD1-CG 3.96Å; Y107-R163 HydrophobicContact CE1-CB 3.57Å; Y107-R163 HydrophobicContact CE1-CG 3.62Å; Y107-R163 HydrophobicContact CE2-CG 4.33Å; Y107-R163 HydrophobicContact CG-CB 4.03Å; Y107-R163 HydrophobicContact CG-CG 4.45Å; Y161-R163 PolarHBondContact O-N 2.96Å
164G83.7Confident85.2Confident56 Ų5641.7 Ų41.758%0.57723%0.229SC*.SBendtrans78.5-172.2-175.700000113W109W109-G164 PolarHBondContact NE1-O 2.87Å
165G85.6Confident84.3Confident24 Ų2445.1 Ų45.125%0.24725%0.245CC..SBendtrans-92.6-178.2177.600000113.5S167 F191 S192G165-S167 PolarHBondContact O-N 3.26Å; G165-F191 CarbonylContact C-O 3.27Å; G165-F191 WeakPolarHBondContact CA-O 3.19Å; G165-S192 VanDerWaalsContact CA-O 3.31Å; G165-S192 WeakPolarHBondContact CA-O 3.19Å
166F84.5Confident83Confident21 Ų2143.4 Ų43.49%0.09224%0.244CC..  trans-52.6122.6172.4165.4-124.3000112.7W109 C110 P111 W168 F171 P183 I187 F191 L207W109-F166 HydrophobicContact CH2-CB 4.49Å; C110-F166 HydrophobicContact CB-CD2 3.74Å; C110-F166 HydrophobicContact CB-CE2 3.68Å; P111-F166 HydrophobicContact CG-CD2 4.47Å; P111-F166 HydrophobicContact CG-CE2 4.27Å; F166-W168 AromaticContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CZ3 4.15Å; F166-W168 HydrophobicContact CE2-CE3 4.25Å; F166-W168 HydrophobicContact CZ-CD2 4.45Å; F166-W168 AromaticContact CZ-CE3 3.26Å; F166-W168 HydrophobicContact CZ-CE3 3.26Å; F166-W168 AromaticContact CZ-CZ3 3.64Å; F166-W168 HydrophobicContact CZ-CZ3 3.64Å; F166-F171 HydrophobicContact CE2-CB 4.14Å; F166-F171 HydrophobicContact CE2-CD2 4.4Å; F166-F171 HydrophobicContact CE2-CG 4.37Å; F166-F171 HydrophobicContact CZ-CB 4.44Å; F166-F171 HydrophobicContact CZ-CG 4.49Å; F166-P183 HydrophobicContact CD1-CG 4.48Å; F166-P183 HydrophobicContact CE1-CB 4.21Å; F166-P183 HydrophobicContact CE1-CG 3.67Å; F166-I187 HydrophobicContact CE1-CG2 4.2Å; F166-F191 HydrophobicContact CB-CB 3.31Å; F166-F191 HydrophobicContact CB-CG 4.12Å; F166-F191 HydrophobicContact CG-CB 4.19Å; F166-F191 PolarHBondContact N-O 3.47Å; F166-L207 HydrophobicContact CZ-CD2 4.31Å
167S85.9Confident81.9Confident17 Ų1748.5 Ų48.512%0.11927%0.268CS..  trans-93.5102.8175.1-176.60000110.6S108 W109 G165 T169 T170 F171S108-S167 WeakPolarHBondContact OG-CB 3.5Å; S108-S167 PolarHBondContact OG-OG 3.13Å; W109-S167 PolarHBondContact O-N 3.19Å; G165-S167 PolarHBondContact O-N 3.26Å; S167-T169 PolarHBondContact O-N 2.77Å; S167-T169 PolarHBondContact OG-OG1 3.04Å; S167-T170 WeakPolarHBondContact CB-OG1 3.27Å; S167-T170 PolarHBondContact O-N 3.43Å; S167-T170 PolarHBondContact OG-N 3.15Å; S167-T170 PolarHBondContact OG-OG1 3.26Å; S167-T170 VanDerWaalsContact OG-OG1 3.07Å; S167-F171 PolarHBondContact O-N 3.19Å; S167-F171 VanDerWaalsContact O-N 3.16Å
168W83.6Confident80.8Confident27 Ų2745.4 Ų45.410%0.10225%0.251CS..Hα-helixtrans-62.4-32.7173.2-170.8-119.3000112.2F166 T170 F171 C172 I180 D181 P183 L207 F210F166-W168 AromaticContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CE3 3.59Å; F166-W168 HydrophobicContact CE1-CZ3 4.15Å; F166-W168 HydrophobicContact CE2-CE3 4.25Å; F166-W168 HydrophobicContact CZ-CD2 4.45Å; F166-W168 AromaticContact CZ-CE3 3.26Å; F166-W168 HydrophobicContact CZ-CE3 3.26Å; F166-W168 AromaticContact CZ-CZ3 3.64Å; F166-W168 HydrophobicContact CZ-CZ3 3.64Å; W168-T170 PolarHBondContact O-N 2.99Å; W168-F171 HydrophobicContact CD2-CD1 4.41Å; W168-F171 HydrophobicContact CE3-CB 3.97Å; W168-F171 AromaticContact CE3-CD1 3.66Å; W168-F171 HydrophobicContact CE3-CD1 3.66Å; W168-F171 HydrophobicContact CE3-CG 4Å; W168-F171 AromaticContact CH2-CD1 3.75Å; W168-F171 HydrophobicContact CH2-CD1 3.75Å; W168-F171 AromaticContact CH2-CE1 3.93Å; W168-F171 HydrophobicContact CH2-CE1 3.93Å; W168-F171 HydrophobicContact CZ2-CD1 4.44Å; W168-F171 HydrophobicContact CZ3-CB 4.42Å; W168-F171 AromaticContact CZ3-CD1 3.29Å; W168-F171 HydrophobicContact CZ3-CD1 3.29Å; W168-F171 AromaticContact CZ3-CE1 3.76Å; W168-F171 HydrophobicContact CZ3-CE1 3.76Å; W168-F171 AromaticContact CZ3-CG 3.94Å; W168-F171 HydrophobicContact CZ3-CG 3.94Å; W168-F171 CarbonylContact O-C 3.56Å; W168-F171 WeakPolarHBondContact O-CA 3.1Å; W168-F171 WeakPolarHBondContact O-CB 3.48Å; W168-F171 PolarHBondContact O-N 2.86Å; W168-F171 VanDerWaalsContact O-N 3.1Å; W168-C172 VanDerWaalsContact CD1-SG 3.56Å; W168-C172 PolarHBondContact NE1-SG 3.49Å; W168-C172 PolarHBondContact O-N 2.7Å; W168-C172 PolarHBondContact O-SG 3.03Å; W168-C172 VanDerWaalsContact O-SG 3.4Å; W168-I180 HydrophobicContact CZ2-CB 4.1Å; W168-I180 HydrophobicContact CZ2-CG2 3.88Å; W168-I180 PolarHBondContact NE1-O 3.19Å; W168-D181 PolarHBondContact NE1-O 2.97Å; W168-P183 HydrophobicContact CB-CG 4.12Å; W168-P183 HydrophobicContact CD2-CB 4Å; W168-P183 VanDerWaalsContact CD2-CD 3.44Å; W168-P183 HydrophobicContact CD2-CG 3.45Å; W168-P183 VanDerWaalsContact CD2-CG 3.45Å; W168-P183 HydrophobicContact CE3-CB 3.76Å; W168-P183 HydrophobicContact CE3-CG 3.47Å; W168-P183 VanDerWaalsContact CE3-CG 3.47Å; W168-P183 VanDerWaalsContact CG-CD 3.46Å; W168-P183 HydrophobicContact CG-CG 3.8Å; W168-P183 HydrophobicContact CH2-CB 3.87Å; W168-P183 HydrophobicContact CH2-CG 4.42Å; W168-P183 HydrophobicContact CZ2-CB 4.13Å; W168-P183 HydrophobicContact CZ2-CG 4.43Å; W168-P183 HydrophobicContact CZ3-CB 3.68Å; W168-P183 HydrophobicContact CZ3-CG 3.97Å; W168-L207 HydrophobicContact CZ3-CD1 4.25Å; W168-F210 AromaticContact CH2-CE1 3.97Å; W168-F210 HydrophobicContact CH2-CE1 3.97Å; W168-F210 HydrophobicContact CZ2-CE1 4.38Å
169T79.2Confident79.6Confident62 Ų6250.6 Ų50.638%0.3828%0.278SS..Hα-helixtrans-64.6-42.8179.159.90000111.7S167 F171 C172 A173 I463S167-T169 PolarHBondContact O-N 2.77Å; S167-T169 PolarHBondContact OG-OG1 3.04Å; T169-F171 VanDerWaalsContact C-N 3.27Å; T169-F171 PolarHBondContact O-N 2.69Å; T169-C172 PolarHBondContact O-N 3.42Å; T169-A173 VanDerWaalsContact O-CB 3.28Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.38Å; T169-I463 HydrophobicContact CG2-CD1 4.37Å; T169-I463 HydrophobicContact CG2-CG2 3.73Å
170T78.7Confident78.7Confident16 Ų1650.9 Ų50.910%0.09828%0.279CS..Hα-helixtrans-62.7-37.6171.9-54.20000111.2S108 F136 S167 W168 A173 L174S108-T170 WeakPolarHBondContact O-CB 3.41Å; S108-T170 WeakPolarHBondContact O-CG2 3.29Å; S108-T170 PolarHBondContact O-OG1 3.49Å; S108-T170 PolarHBondContact OG-OG1 3.46Å; F136-T170 HydrophobicContact CE2-CG2 3.94Å; S167-T170 WeakPolarHBondContact CB-OG1 3.27Å; S167-T170 PolarHBondContact O-N 3.43Å; S167-T170 PolarHBondContact OG-N 3.15Å; S167-T170 PolarHBondContact OG-OG1 3.26Å; S167-T170 VanDerWaalsContact OG-OG1 3.07Å; W168-T170 PolarHBondContact O-N 2.99Å; T170-A173 WeakPolarHBondContact O-CB 3.32Å; T170-A173 PolarHBondContact O-N 2.86Å; T170-L174 HydrophobicContact CG2-CD1 4.39Å; T170-L174 WeakPolarHBondContact O-CG 3.27Å; T170-L174 PolarHBondContact O-N 3.39Å
171F81.2Confident77.6Confident1 Ų158 Ų580%0.00432%0.318CS..Hα-helixtrans-65-50.4177.8-171.9-93.8000112.2C110 P111 V112 L114 F166 S167 W168 T169 A173 L174 H175 L178 I211C110-F171 HydrophobicContact CB-CB 3.93Å; C110-F171 HydrophobicContact CB-CD2 4.24Å; P111-F171 VanDerWaalsContact O-CD2 3.3Å; P111-F171 WeakPolarHBondContact O-CD2 3.34Å; P111-F171 VanDerWaalsContact O-CE2 3.27Å; P111-F171 WeakPolarHBondContact O-CE2 3.47Å; V112-F171 HydrophobicContact CG1-CD2 4.37Å; V112-F171 HydrophobicContact CG1-CE2 4.47Å; L114-F171 HydrophobicContact CD1-CE2 4.36Å; L114-F171 HydrophobicContact CD1-CZ 4.44Å; F166-F171 HydrophobicContact CE2-CB 4.14Å; F166-F171 HydrophobicContact CE2-CD2 4.4Å; F166-F171 HydrophobicContact CE2-CG 4.37Å; F166-F171 HydrophobicContact CZ-CB 4.44Å; F166-F171 HydrophobicContact CZ-CG 4.49Å; S167-F171 PolarHBondContact O-N 3.19Å; S167-F171 VanDerWaalsContact O-N 3.16Å; W168-F171 HydrophobicContact CD2-CD1 4.41Å; W168-F171 HydrophobicContact CE3-CB 3.97Å; W168-F171 AromaticContact CE3-CD1 3.66Å; W168-F171 HydrophobicContact CE3-CD1 3.66Å; W168-F171 HydrophobicContact CE3-CG 4Å; W168-F171 AromaticContact CH2-CD1 3.75Å; W168-F171 HydrophobicContact CH2-CD1 3.75Å; W168-F171 AromaticContact CH2-CE1 3.93Å; W168-F171 HydrophobicContact CH2-CE1 3.93Å; W168-F171 HydrophobicContact CZ2-CD1 4.44Å; W168-F171 HydrophobicContact CZ3-CB 4.42Å; W168-F171 AromaticContact CZ3-CD1 3.29Å; W168-F171 HydrophobicContact CZ3-CD1 3.29Å; W168-F171 AromaticContact CZ3-CE1 3.76Å; W168-F171 HydrophobicContact CZ3-CE1 3.76Å; W168-F171 AromaticContact CZ3-CG 3.94Å; W168-F171 HydrophobicContact CZ3-CG 3.94Å; W168-F171 CarbonylContact O-C 3.56Å; W168-F171 WeakPolarHBondContact O-CA 3.1Å; W168-F171 WeakPolarHBondContact O-CB 3.48Å; W168-F171 PolarHBondContact O-N 2.86Å; W168-F171 VanDerWaalsContact O-N 3.1Å; T169-F171 VanDerWaalsContact C-N 3.27Å; T169-F171 PolarHBondContact O-N 2.69Å; F171-A173 VanDerWaalsContact C-N 3.29Å; F171-A173 PolarHBondContact O-N 2.93Å; F171-L174 PolarHBondContact O-N 3.47Å; F171-H175 HydrophobicContact CE1-CB 4.38Å; F171-H175 AromaticContact CE1-CD2 3.76Å; F171-H175 AromaticContact CE2-CD2 3.47Å; F171-H175 VanDerWaalsContact CE2-CD2 3.47Å; F171-H175 WeakPolarHBondContact CE2-CD2 3.36Å; F171-H175 AromaticContact CE2-NE2 3.7Å; F171-H175 AromaticContact CZ-CD2 3.28Å; F171-H175 WeakPolarHBondContact CZ-CD2 3.27Å; F171-H175 AromaticContact CZ-NE2 3.75Å; F171-H175 PolarHBondContact O-CD2 3.34Å; F171-H175 PolarHBondContact O-N 2.93Å; F171-L178 HydrophobicContact CD1-CD1 4.24Å; F171-L178 HydrophobicContact CE1-CD1 3.45Å; F171-L178 VanDerWaalsContact CE1-CD1 3.45Å; F171-L178 HydrophobicContact CZ-CD1 4.29Å; F171-I211 HydrophobicContact CE1-CD1 3.66Å; F171-I211 HydrophobicContact CE1-CG1 4.07Å; F171-I211 HydrophobicContact CE2-CD1 4.07Å; F171-I211 HydrophobicContact CZ-CD1 3.22Å; F171-I211 HydrophobicContact CZ-CG1 4.08Å
172C79.3Confident76.7Confident34 Ų3457.5 Ų57.523%0.2333%0.328CS..Hα-helixtrans-60.7-37.5175.5-690000112.3W168 T169 L174 H175W168-C172 VanDerWaalsContact CD1-SG 3.56Å; W168-C172 PolarHBondContact NE1-SG 3.49Å; W168-C172 PolarHBondContact O-N 2.7Å; W168-C172 PolarHBondContact O-SG 3.03Å; W168-C172 VanDerWaalsContact O-SG 3.4Å; T169-C172 PolarHBondContact O-N 3.42Å; C172-L174 PolarHBondContact O-N 3.32Å; C172-H175 CarbonylContact O-C 3.12Å; C172-H175 PolarHBondContact O-N 2.95Å
173A73.7Confident76.1Confident26 Ų2657.5 Ų57.522%0.21533%0.328CS..Hα-helixtrans-58.4-31.9173.600000113T169 T170 F171 L470T169-A173 VanDerWaalsContact O-CB 3.28Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.38Å; T170-A173 WeakPolarHBondContact O-CB 3.32Å; T170-A173 PolarHBondContact O-N 2.86Å; F171-A173 VanDerWaalsContact C-N 3.29Å; F171-A173 PolarHBondContact O-N 2.93Å; A173-L470 HydrophobicContact CB-CD2 3.45Å; A173-L470 VanDerWaalsContact CB-CD2 3.45Å
174L73.2Confident75.6Confident36 Ų3653.1 Ų53.119%0.18832%0.316CS..Hα-helixtrans-86.5-28.9177-66.4165000112.8V112 A123 F136 T170 F171 C172 P176V112-L174 HydrophobicContact CG1-CD1 3.61Å; A123-L174 HydrophobicContact CB-CD1 3.32Å; F136-L174 HydrophobicContact CE1-CD2 3.9Å; F136-L174 HydrophobicContact CE2-CD1 4.46Å; F136-L174 HydrophobicContact CZ-CD1 3.75Å; F136-L174 HydrophobicContact CZ-CD2 3.56Å; F136-L174 HydrophobicContact CZ-CG 4.05Å; T170-L174 HydrophobicContact CG2-CD1 4.39Å; T170-L174 WeakPolarHBondContact O-CG 3.27Å; T170-L174 PolarHBondContact O-N 3.39Å; F171-L174 PolarHBondContact O-N 3.47Å; C172-L174 PolarHBondContact O-N 3.32Å; L174-P176 VanDerWaalsContact C-CD 3.44Å; L174-P176 VanDerWaalsContact O-CD 3.3Å; L174-P176 WeakPolarHBondContact O-CD 3.3Å
175H72.9Confident75.2Confident72 Ų7255.1 Ų55.133%0.33332%0.319SS..  trans-119.969.3-179.3-61.8-76.5000111.6F171 C172 M177 L178F171-H175 HydrophobicContact CE1-CB 4.38Å; F171-H175 AromaticContact CE1-CD2 3.76Å; F171-H175 AromaticContact CE2-CD2 3.47Å; F171-H175 VanDerWaalsContact CE2-CD2 3.47Å; F171-H175 WeakPolarHBondContact CE2-CD2 3.36Å; F171-H175 AromaticContact CE2-NE2 3.7Å; F171-H175 AromaticContact CZ-CD2 3.28Å; F171-H175 WeakPolarHBondContact CZ-CD2 3.27Å; F171-H175 AromaticContact CZ-NE2 3.75Å; F171-H175 PolarHBondContact O-CD2 3.34Å; F171-H175 PolarHBondContact O-N 2.93Å; C172-H175 CarbonylContact O-C 3.12Å; C172-H175 PolarHBondContact O-N 2.95Å; H175-M177 PolarHBondContact O-N 2.95Å; H175-M177 VanDerWaalsContact O-N 3.11Å; H175-L178 HydrophobicContact CB-CD1 3.51Å; H175-L178 HydrophobicContact CB-CG 3.94Å; H175-L178 WeakPolarHBondContact O-CB 3.3Å; H175-L178 PolarHBondContact O-N 3.05Å; H175-L178 VanDerWaalsContact O-N 3.15Å
176P62.4Low74.9Confident83 Ų8355 Ų5554%0.53932%0.317SS..THydrogen-bonded Turntrans-67.2-14.9-173.627.9-36.7000114L174 L178L174-P176 VanDerWaalsContact C-CD 3.44Å; L174-P176 VanDerWaalsContact O-CD 3.3Å; L174-P176 WeakPolarHBondContact O-CD 3.3Å; P176-L178 PolarHBondContact O-N 2.77Å
177M63Low74.6Confident161 Ų16154.2 Ų54.279%0.79331%0.314SS*.THydrogen-bonded Turntrans-76-6.8177.5-58.5-60.3178.100113H175 L179 I218H175-M177 PolarHBondContact O-N 2.95Å; H175-M177 VanDerWaalsContact O-N 3.11Å; M177-L179 PolarHBondContact O-N 3.21Å; M177-I218 WeakPolarHBondContact O-CD1 3.3Å
178L64.4Low74.4Confident21 Ų2156.2 Ų56.211%0.1133%0.325CS..  trans-84.7110.3179.3-63176.2000110.4F171 H175 P176 I180 I211 S215F171-L178 HydrophobicContact CD1-CD1 4.24Å; F171-L178 HydrophobicContact CE1-CD1 3.45Å; F171-L178 VanDerWaalsContact CE1-CD1 3.45Å; F171-L178 HydrophobicContact CZ-CD1 4.29Å; H175-L178 HydrophobicContact CB-CD1 3.51Å; H175-L178 HydrophobicContact CB-CG 3.94Å; H175-L178 WeakPolarHBondContact O-CB 3.3Å; H175-L178 PolarHBondContact O-N 3.05Å; H175-L178 VanDerWaalsContact O-N 3.15Å; P176-L178 PolarHBondContact O-N 2.77Å; L178-I180 HydrophobicContact CD2-CD1 4.33Å; L178-I180 PolarHBondContact O-N 3.25Å; L178-I211 HydrophobicContact CD1-CG2 4.06Å; L178-I211 HydrophobicContact CD2-CG2 3.92Å; L178-S215 VanDerWaalsContact CD2-OG 3.22Å; L178-S215 WeakPolarHBondContact CD2-OG 3.4Å
179L64.6Low74.2Confident151 Ų15160 Ų6079%0.79135%0.347SS*.  trans-77.530.3172.4-71.9157.8000112.6M177 I218M177-L179 PolarHBondContact O-N 3.21Å; L179-I218 HydrophobicContact CD1-CD1 4.15Å; L179-I218 HydrophobicContact CD1-CG1 4.41Å
180I71.3Confident74.3Confident29 Ų2958.2 Ų58.215%0.14934%0.339CS..  trans-107.8111.3-175-51.7167.6000108.9W168 L178 S182 F210 A214W168-I180 HydrophobicContact CZ2-CB 4.1Å; W168-I180 HydrophobicContact CZ2-CG2 3.88Å; W168-I180 PolarHBondContact NE1-O 3.19Å; L178-I180 HydrophobicContact CD2-CD1 4.33Å; L178-I180 PolarHBondContact O-N 3.25Å; I180-S182 VanDerWaalsContact C-N 3.29Å; I180-S182 WeakPolarHBondContact CG2-O 3.18Å; I180-S182 PolarHBondContact O-N 2.78Å; I180-F210 HydrophobicContact CD1-CE1 3.76Å; I180-F210 HydrophobicContact CD1-CZ 3.87Å; I180-F210 HydrophobicContact CG2-CE1 4.08Å; I180-F210 HydrophobicContact CG2-CZ 3.74Å; I180-A214 HydrophobicContact CD1-CB 3.12Å; I180-A214 HydrophobicContact CG1-CB 3.81Å
181D71Confident74.7Confident161 Ų16157.5 Ų57.586%0.86133%0.334SS*.SBendtrans-66.8-30.9-178.3-61.3-35.2000113.1W168W168-D181 PolarHBondContact NE1-O 2.97Å
182S73.8Confident74.7Confident78 Ų7859.9 Ų59.955%0.54535%0.351SS..SBendtrans-152.9146.3-179.266.20000112.5I180I180-S182 VanDerWaalsContact C-N 3.29Å; I180-S182 WeakPolarHBondContact CG2-O 3.18Å; I180-S182 PolarHBondContact O-N 2.78Å
183P77.9Confident74.8Confident8 Ų864.5 Ų64.55%0.05237%0.374CS..  trans-74.4164.4173.326.2-14.9000110.3F166 W168 V188 F210F166-P183 HydrophobicContact CD1-CG 4.48Å; F166-P183 HydrophobicContact CE1-CB 4.21Å; F166-P183 HydrophobicContact CE1-CG 3.67Å; W168-P183 HydrophobicContact CB-CG 4.12Å; W168-P183 HydrophobicContact CD2-CB 4Å; W168-P183 VanDerWaalsContact CD2-CD 3.44Å; W168-P183 HydrophobicContact CD2-CG 3.45Å; W168-P183 VanDerWaalsContact CD2-CG 3.45Å; W168-P183 HydrophobicContact CE3-CB 3.76Å; W168-P183 HydrophobicContact CE3-CG 3.47Å; W168-P183 VanDerWaalsContact CE3-CG 3.47Å; W168-P183 VanDerWaalsContact CG-CD 3.46Å; W168-P183 HydrophobicContact CG-CG 3.8Å; W168-P183 HydrophobicContact CH2-CB 3.87Å; W168-P183 HydrophobicContact CH2-CG 4.42Å; W168-P183 HydrophobicContact CZ2-CB 4.13Å; W168-P183 HydrophobicContact CZ2-CG 4.43Å; W168-P183 HydrophobicContact CZ3-CB 3.68Å; W168-P183 HydrophobicContact CZ3-CG 3.97Å; P183-V188 HydrophobicContact CB-CG2 4.47Å; P183-V188 HydrophobicContact CG-CG2 3.61Å; P183-F210 HydrophobicContact CB-CE1 4.48Å
184P76.7Confident75.5Confident31 Ų3163.3 Ų63.320%0.20136%0.364CS..  trans-54.3138.2175.1-2433.7000110.8G186 I187 V188 F210P184-G186 PolarHBondContact O-N 2.94Å; P184-G186 VanDerWaalsContact O-N 3.11Å; P184-I187 HydrophobicContact CB-CG1 4.36Å; P184-I187 HydrophobicContact CG-CD1 4.14Å; P184-I187 HydrophobicContact CG-CG1 4.43Å; P184-I187 WeakPolarHBondContact O-CB 3.35Å; P184-I187 PolarHBondContact O-N 3.44Å; P184-V188 PolarHBondContact O-N 3.38Å; P184-F210 HydrophobicContact CG-CD1 4.27Å; P184-F210 HydrophobicContact CG-CD2 3.5Å; P184-F210 VanDerWaalsContact CG-CD2 3.5Å; P184-F210 HydrophobicContact CG-CE1 4.32Å; P184-F210 HydrophobicContact CG-CE2 3.55Å; P184-F210 HydrophobicContact CG-CG 3.88Å; P184-F210 HydrophobicContact CG-CZ 3.98Å
185P76.3Confident76.2Confident99 Ų9961.8 Ų61.864%0.64336%0.356SS*.Hα-helixtrans-53-37.6-178.8-28.734.7000113.4I187 V188 D189P185-I187 VanDerWaalsContact C-N 3.26Å; P185-I187 PolarHBondContact O-N 2.85Å; P185-V188 PolarHBondContact O-N 3.24Å; P185-V188 VanDerWaalsContact O-N 3.13Å; P185-D189 WeakPolarHBondContact O-CB 3.39Å; P185-D189 VanDerWaalsContact O-CG 3.29Å; P185-D189 PolarHBondContact O-N 2.85Å
186G78.9Confident76.8Confident20 Ų2058.9 Ų58.921%0.20634%0.343CS..Hα-helixtrans-61.9-30.2176.800000114.2P184 A190 W203P184-G186 PolarHBondContact O-N 2.94Å; P184-G186 VanDerWaalsContact O-N 3.11Å; G186-A190 WeakPolarHBondContact O-CB 3.35Å; G186-A190 PolarHBondContact O-N 2.96Å; G186-W203 WeakPolarHBondContact O-CZ3 3.47Å
187I79.1Confident77.8Confident5 Ų556.4 Ų56.43%0.02633%0.33CS..Hα-helixtrans-74.8-45.5172.8-63.7-172.1000109.8F166 P184 P185 D189 A190 F191 L207 F210F166-I187 HydrophobicContact CE1-CG2 4.2Å; P184-I187 HydrophobicContact CB-CG1 4.36Å; P184-I187 HydrophobicContact CG-CD1 4.14Å; P184-I187 HydrophobicContact CG-CG1 4.43Å; P184-I187 WeakPolarHBondContact O-CB 3.35Å; P184-I187 PolarHBondContact O-N 3.44Å; P185-I187 VanDerWaalsContact C-N 3.26Å; P185-I187 PolarHBondContact O-N 2.85Å; I187-D189 VanDerWaalsContact C-N 3.28Å; I187-D189 PolarHBondContact O-N 3.38Å; I187-A190 PolarHBondContact O-N 2.93Å; I187-F191 HydrophobicContact CG2-CD2 4.02Å; I187-F191 HydrophobicContact CG2-CE2 4.11Å; I187-F191 VanDerWaalsContact O-CD2 3.3Å; I187-F191 WeakPolarHBondContact O-CD2 3.38Å; I187-F191 PolarHBondContact O-N 3.35Å; I187-L207 HydrophobicContact CD1-CB 4.12Å; I187-L207 HydrophobicContact CD1-CD1 3.95Å; I187-L207 HydrophobicContact CG2-CD1 4.18Å; I187-F210 HydrophobicContact CD1-CB 4.3Å
188V80.3Confident78.6Confident59 Ų5955.8 Ų55.836%0.35833%0.325SS..Hα-helixtrans-55.6-47.4176.7-178.80000110.5P183 P184 P185 A190 F191 S192P183-V188 HydrophobicContact CB-CG2 4.47Å; P183-V188 HydrophobicContact CG-CG2 3.61Å; P184-V188 PolarHBondContact O-N 3.38Å; P185-V188 PolarHBondContact O-N 3.24Å; P185-V188 VanDerWaalsContact O-N 3.13Å; V188-A190 PolarHBondContact O-N 3.38Å; V188-F191 CarbonylContact O-C 3.44Å; V188-F191 PolarHBondContact O-N 2.81Å; V188-S192 WeakPolarHBondContact O-CA 3.32Å; V188-S192 WeakPolarHBondContact O-CB 3.39Å; V188-S192 PolarHBondContact O-N 2.97Å
189D80.8Confident79.6Confident107 Ų10758.6 Ų58.657%0.57234%0.34SS*.Hα-helixtrans-63.5-41.6-179.1-70.9-20.1000112P185 I187 F191 S192P185-D189 WeakPolarHBondContact O-CB 3.39Å; P185-D189 VanDerWaalsContact O-CG 3.29Å; P185-D189 PolarHBondContact O-N 2.85Å; I187-D189 VanDerWaalsContact C-N 3.28Å; I187-D189 PolarHBondContact O-N 3.38Å; D189-F191 VanDerWaalsContact C-N 3.31Å; D189-F191 PolarHBondContact O-N 3.44Å; D189-S192 WeakPolarHBondContact O-CB 3.1Å; D189-S192 PolarHBondContact O-N 2.86Å; D189-S192 PolarHBondContact O-OG 2.77Å
190A81.7Confident80.6Confident25 Ų2553 Ų5321%0.20731%0.308CS..Hα-helixtrans-63.2-36.5179.800000112.7G186 I187 V188 P196 W203G186-A190 WeakPolarHBondContact O-CB 3.35Å; G186-A190 PolarHBondContact O-N 2.96Å; I187-A190 PolarHBondContact O-N 2.93Å; V188-A190 PolarHBondContact O-N 3.38Å; A190-P196 HydrophobicContact CB-CG 4.31Å; A190-W203 HydrophobicContact CB-CD2 3.55Å; A190-W203 HydrophobicContact CB-CE3 3.5Å; A190-W203 HydrophobicContact CB-CG 4.23Å; A190-W203 HydrophobicContact CB-CH2 3.86Å; A190-W203 HydrophobicContact CB-CZ2 3.91Å; A190-W203 HydrophobicContact CB-CZ3 3.66Å
191F86.3Confident81.4Confident0 Ų056.1 Ų56.10%032%0.318CS..THydrogen-bonded Turntrans-1007.5179.9-65.2-103.2000113.5W109 P111 G165 F166 I187 V188 D189 N193 G194 F195 P196 W203W109-F191 HydrophobicContact CH2-CB 4.27Å; W109-F191 AromaticContact CH2-CD1 3.87Å; W109-F191 HydrophobicContact CH2-CD1 3.87Å; W109-F191 HydrophobicContact CZ3-CD1 4.02Å; P111-F191 HydrophobicContact CG-CE1 4.1Å; P111-F191 HydrophobicContact CG-CZ 4.48Å; G165-F191 CarbonylContact C-O 3.27Å; G165-F191 WeakPolarHBondContact CA-O 3.19Å; F166-F191 HydrophobicContact CB-CB 3.31Å; F166-F191 HydrophobicContact CB-CG 4.12Å; F166-F191 HydrophobicContact CG-CB 4.19Å; F166-F191 PolarHBondContact N-O 3.47Å; I187-F191 HydrophobicContact CG2-CD2 4.02Å; I187-F191 HydrophobicContact CG2-CE2 4.11Å; I187-F191 VanDerWaalsContact O-CD2 3.3Å; I187-F191 WeakPolarHBondContact O-CD2 3.38Å; I187-F191 PolarHBondContact O-N 3.35Å; V188-F191 CarbonylContact O-C 3.44Å; V188-F191 PolarHBondContact O-N 2.81Å; D189-F191 VanDerWaalsContact C-N 3.31Å; D189-F191 PolarHBondContact O-N 3.44Å; F191-N193 VanDerWaalsContact C-N 3.29Å; F191-N193 PolarHBondContact O-N 2.73Å; F191-G194 CarbonylContact C-O 3.58Å; F191-G194 VanDerWaalsContact C-O 3.27Å; F191-G194 WeakPolarHBondContact CA-O 3.37Å; F191-F195 HydrophobicContact CD1-CD2 4.33Å; F191-F195 HydrophobicContact CD1-CE2 4.46Å; F191-F195 HydrophobicContact CE1-CD2 4.09Å; F191-F195 HydrophobicContact CE1-CE1 4.43Å; F191-F195 AromaticContact CE1-CE2 3.83Å; F191-F195 HydrophobicContact CE1-CE2 3.83Å; F191-F195 HydrophobicContact CE1-CG 4.49Å; F191-F195 HydrophobicContact CE1-CZ 4.02Å; F191-P196 HydrophobicContact CD1-CG 4.08Å; F191-P196 HydrophobicContact CD2-CG 4.1Å; F191-P196 HydrophobicContact CE1-CG 3.95Å; F191-P196 HydrophobicContact CE2-CG 4Å; F191-P196 HydrophobicContact CG-CG 4.14Å; F191-P196 HydrophobicContact CZ-CG 3.91Å; F191-W203 HydrophobicContact CE2-CB 3.93Å; F191-W203 HydrophobicContact CZ-CB 4.03Å
192S80.5Confident82.1Confident51 Ų5150 Ų5036%0.35729%0.288SS..THydrogen-bonded Turntrans-62.8-31.6-174.259.90000114.1G165 V188 D189G165-S192 VanDerWaalsContact CA-O 3.31Å; G165-S192 WeakPolarHBondContact CA-O 3.19Å; V188-S192 WeakPolarHBondContact O-CA 3.32Å; V188-S192 WeakPolarHBondContact O-CB 3.39Å; V188-S192 PolarHBondContact O-N 2.97Å; D189-S192 WeakPolarHBondContact O-CB 3.1Å; D189-S192 PolarHBondContact O-N 2.86Å; D189-S192 PolarHBondContact O-OG 2.77Å
193N82.4Confident82.8Confident132 Ų13249 Ų4971%0.70627%0.272SS*.THydrogen-bonded Turntrans-112.220.3-173.8-71.5-67.8000113.7F191F191-N193 VanDerWaalsContact C-N 3.29Å; F191-N193 PolarHBondContact O-N 2.73Å
194G88Confident83.1Confident1 Ų148.6 Ų48.61%0.0127%0.27CS..SBendtrans121-164.6-169.300000110.7W109 F191W109-G194 VanDerWaalsContact CH2-C 3.47Å; W109-G194 WeakPolarHBondContact CH2-O 3.21Å; W109-G194 VanDerWaalsContact CZ2-C 3.44Å; F191-G194 CarbonylContact C-O 3.58Å; F191-G194 VanDerWaalsContact C-O 3.27Å; F191-G194 WeakPolarHBondContact CA-O 3.37Å
195F88Confident83.5Confident4 Ų449.9 Ų49.92%0.01827%0.273CS..SBendtrans-71.4143.2171.4-143.6-93.2000109.9W109 P111 L122 V145 G149 V152 L162 F191 A197 W200W109-F195 HydrophobicContact CH2-CD2 4.12Å; W109-F195 AromaticContact CZ3-CD2 3.73Å; W109-F195 HydrophobicContact CZ3-CD2 3.73Å; W109-F195 HydrophobicContact CZ3-CE2 4.3Å; P111-F195 HydrophobicContact CB-CE2 4.3Å; L122-F195 HydrophobicContact CD2-CD2 4.04Å; L122-F195 HydrophobicContact CD2-CE2 3.66Å; V145-F195 HydrophobicContact CB-CD1 4.49Å; V145-F195 HydrophobicContact CG1-CB 3.85Å; V145-F195 HydrophobicContact CG1-CD1 4.13Å; V145-F195 HydrophobicContact CG1-CG 4.37Å; V145-F195 HydrophobicContact CG2-CD1 3.62Å; V145-F195 HydrophobicContact CG2-CE1 4.1Å; V145-F195 HydrophobicContact CG2-CG 4.24Å; G149-F195 WeakPolarHBondContact CA-O 3.34Å; G149-F195 WeakPolarHBondContact O-CB 3.37Å; G149-F195 PolarHBondContact O-N 2.71Å; V152-F195 HydrophobicContact CG2-CB 4.07Å; V152-F195 HydrophobicContact CG2-CD2 4.5Å; V152-F195 HydrophobicContact CG2-CG 4.33Å; L162-F195 HydrophobicContact CD1-CB 3.8Å; L162-F195 HydrophobicContact CD1-CD2 4.39Å; F191-F195 HydrophobicContact CD1-CD2 4.33Å; F191-F195 HydrophobicContact CD1-CE2 4.46Å; F191-F195 HydrophobicContact CE1-CD2 4.09Å; F191-F195 HydrophobicContact CE1-CE1 4.43Å; F191-F195 AromaticContact CE1-CE2 3.83Å; F191-F195 HydrophobicContact CE1-CE2 3.83Å; F191-F195 HydrophobicContact CE1-CG 4.49Å; F191-F195 HydrophobicContact CE1-CZ 4.02Å; F195-A197 PolarHBondContact O-N 3.48Å; F195-A197 VanDerWaalsContact O-N 3.09Å; F195-W200 HydrophobicContact CD1-CB 3.73Å; F195-W200 HydrophobicContact CD1-CD2 4.47Å; F195-W200 HydrophobicContact CD1-CG 4.2Å; F195-W200 HydrophobicContact CE1-CB 3.6Å; F195-W200 AromaticContact CE1-CD2 3.78Å; F195-W200 HydrophobicContact CE1-CD2 3.78Å; F195-W200 AromaticContact CE1-CE3 3.47Å; F195-W200 HydrophobicContact CE1-CE3 3.47Å; F195-W200 VanDerWaalsContact CE1-CE3 3.47Å; F195-W200 AromaticContact CE1-CG 3.89Å; F195-W200 HydrophobicContact CE1-CG 3.89Å; F195-W200 HydrophobicContact CE1-CZ3 4.34Å; F195-W200 HydrophobicContact CZ-CE3 4.02Å
196P85.9Confident83.8Confident10 Ų1046.4 Ų46.47%0.06526%0.255CS..  trans-56.2121.5175.4-23.130.1000110A190 F191 H198 W200 W203A190-P196 HydrophobicContact CB-CG 4.31Å; F191-P196 HydrophobicContact CD1-CG 4.08Å; F191-P196 HydrophobicContact CD2-CG 4.1Å; F191-P196 HydrophobicContact CE1-CG 3.95Å; F191-P196 HydrophobicContact CE2-CG 4Å; F191-P196 HydrophobicContact CG-CG 4.14Å; F191-P196 HydrophobicContact CZ-CG 3.91Å; P196-H198 VanDerWaalsContact C-N 3.34Å; P196-W200 HydrophobicContact CB-CB 4.37Å; P196-W200 WeakPolarHBondContact O-CB 3.14Å; P196-W203 HydrophobicContact CB-CB 4.36Å; P196-W203 VanDerWaalsContact CB-CD1 3.48Å; P196-W203 HydrophobicContact CB-CG 4.05Å; P196-W203 HydrophobicContact CG-CB 3.82Å; P196-W203 HydrophobicContact CG-CG 3.84Å
197A82.9Confident84Confident31 Ų3145.4 Ų45.426%0.25625%0.245SC..SBendtrans-71.8-31.5-176.900000112.7E147 F195E147-A197 WeakPolarHBondContact O-CB 3.29Å; F195-A197 PolarHBondContact O-N 3.48Å; F195-A197 VanDerWaalsContact O-N 3.09Å
198H80.2Confident84.3Confident148 Ų14846.9 Ų46.969%0.68525%0.252SS*.SBendtrans-111.4141.1178.2-58.4-44.7000110.2P196 W200P196-H198 VanDerWaalsContact C-N 3.34Å; H198-W200 PolarHBondContact O-N 2.83Å; H198-W200 VanDerWaalsContact O-N 3.11Å
199N84.2Confident84.4Confident81 Ų8148.4 Ų48.443%0.43325%0.252SS..SBendtrans50.836.7177.8-61.3-18.3000113.3R201 S202 W203N199-R201 PolarHBondContact O-N 3.44Å; N199-S202 WeakPolarHBondContact O-CA 3.27Å; N199-S202 WeakPolarHBondContact O-CB 3.31Å; N199-S202 PolarHBondContact O-N 3.5Å; N199-W203 PolarHBondContact O-N 3.37Å; N199-W203 VanDerWaalsContact O-N 3.11Å
200W85.5Confident84.5Confident32 Ų3245.2 Ų45.212%0.12123%0.233CC..Hα-helixtrans-58.6-37.6-175.675.9-109.6000112.3G118 V142 V145 F195 P196 H198 S202 W203 T204G118-W200 VanDerWaalsContact O-CZ3 3.22Å; G118-W200 WeakPolarHBondContact O-CZ3 3.48Å; V142-W200 HydrophobicContact CB-CH2 4.2Å; V142-W200 HydrophobicContact CB-CZ3 4.48Å; V142-W200 HydrophobicContact CG1-CH2 3.93Å; V142-W200 HydrophobicContact CG1-CZ2 4.13Å; V142-W200 HydrophobicContact CG1-CZ3 4.29Å; V145-W200 HydrophobicContact CG2-CD2 4.15Å; V145-W200 HydrophobicContact CG2-CG 4.02Å; F195-W200 HydrophobicContact CD1-CB 3.73Å; F195-W200 HydrophobicContact CD1-CD2 4.47Å; F195-W200 HydrophobicContact CD1-CG 4.2Å; F195-W200 HydrophobicContact CE1-CB 3.6Å; F195-W200 AromaticContact CE1-CD2 3.78Å; F195-W200 HydrophobicContact CE1-CD2 3.78Å; F195-W200 AromaticContact CE1-CE3 3.47Å; F195-W200 HydrophobicContact CE1-CE3 3.47Å; F195-W200 VanDerWaalsContact CE1-CE3 3.47Å; F195-W200 AromaticContact CE1-CG 3.89Å; F195-W200 HydrophobicContact CE1-CG 3.89Å; F195-W200 HydrophobicContact CE1-CZ3 4.34Å; F195-W200 HydrophobicContact CZ-CE3 4.02Å; P196-W200 HydrophobicContact CB-CB 4.37Å; P196-W200 WeakPolarHBondContact O-CB 3.14Å; H198-W200 PolarHBondContact O-N 2.83Å; H198-W200 VanDerWaalsContact O-N 3.11Å; W200-S202 VanDerWaalsContact C-N 3.32Å; W200-S202 PolarHBondContact O-N 3.34Å; W200-W203 PolarHBondContact O-N 3.4Å; W200-T204 PolarHBondContact O-N 2.99Å; W200-T204 PolarHBondContact O-OG1 3.37Å
201R88.4Confident84.4Confident95 Ų9545 Ų4536%0.35823%0.228SC..Hα-helixtrans-58.3-42.7172.5-70.3178.2169.4-80.7-9.7111.9G118 D119 N199 T204 Q205G118-R201 WeakPolarHBondContact CA-O 3.41Å; D119-R201 IonicContact OD1-CZ 2.75Å; D119-R201 IonicContact OD1-NH1 2.76Å; D119-R201 PolarHBondContact OD1-NH1 3.1Å; D119-R201 IonicContact OD1-NH2 3.1Å; D119-R201 PolarHBondContact OD1-NH2 3.16Å; N199-R201 PolarHBondContact O-N 3.44Å; R201-T204 PolarHBondContact O-N 2.75Å; R201-Q205 WeakPolarHBondContact O-CB 3.29Å; R201-Q205 VanDerWaalsContact O-CG 3.23Å; R201-Q205 WeakPolarHBondContact O-CG 3.39Å; R201-Q205 PolarHBondContact O-N 3.18Å
202S86.8Confident84.1Confident33 Ų3347 Ų4723%0.23124%0.242CC..Hα-helixtrans-66.3-38178.4-52.80000112.1N199 W200 Q205 G206N199-S202 WeakPolarHBondContact O-CA 3.27Å; N199-S202 WeakPolarHBondContact O-CB 3.31Å; N199-S202 PolarHBondContact O-N 3.5Å; W200-S202 VanDerWaalsContact C-N 3.32Å; W200-S202 PolarHBondContact O-N 3.34Å; S202-Q205 WeakPolarHBondContact O-CB 3.4Å; S202-Q205 PolarHBondContact O-N 3.36Å; S202-G206 PolarHBondContact O-N 2.83Å
203W87.2Confident83.8Confident57 Ų5747 Ų4722%0.21624%0.24CC..Hα-helixtrans-66.6-42.6173.5-74.6110.3000112.2G186 A190 F191 P196 N199 W200 Q205 G206 L207 F318 T322G186-W203 WeakPolarHBondContact O-CZ3 3.47Å; A190-W203 HydrophobicContact CB-CD2 3.55Å; A190-W203 HydrophobicContact CB-CE3 3.5Å; A190-W203 HydrophobicContact CB-CG 4.23Å; A190-W203 HydrophobicContact CB-CH2 3.86Å; A190-W203 HydrophobicContact CB-CZ2 3.91Å; A190-W203 HydrophobicContact CB-CZ3 3.66Å; F191-W203 HydrophobicContact CE2-CB 3.93Å; F191-W203 HydrophobicContact CZ-CB 4.03Å; P196-W203 HydrophobicContact CB-CB 4.36Å; P196-W203 VanDerWaalsContact CB-CD1 3.48Å; P196-W203 HydrophobicContact CB-CG 4.05Å; P196-W203 HydrophobicContact CG-CB 3.82Å; P196-W203 HydrophobicContact CG-CG 3.84Å; N199-W203 PolarHBondContact O-N 3.37Å; N199-W203 VanDerWaalsContact O-N 3.11Å; W200-W203 PolarHBondContact O-N 3.4Å; W203-Q205 VanDerWaalsContact C-N 3.35Å; W203-G206 PolarHBondContact O-N 3.42Å; W203-L207 PolarHBondContact O-N 3.27Å; W203-F318 HydrophobicContact CH2-CD1 4.37Å; W203-F318 HydrophobicContact CZ3-CD1 4.3Å; W203-F318 HydrophobicContact CZ3-CE1 4.23Å; W203-T322 HydrophobicContact CZ2-CG2 4.24Å
204T85.5Confident83.3Confident0 Ų042.2 Ų42.20%022%0.219CC..Hα-helixtrans-62.1-40.9173.5-55.30000111.8L114 G118 C120 W200 R201 L207 H208L114-T204 HydrophobicContact CD2-CG2 3.58Å; G118-T204 WeakPolarHBondContact O-CB 3.36Å; G118-T204 VanDerWaalsContact O-CG2 3.3Å; G118-T204 WeakPolarHBondContact O-CG2 3.24Å; C120-T204 HydrophobicContact CB-CG2 3.64Å; W200-T204 PolarHBondContact O-N 2.99Å; W200-T204 PolarHBondContact O-OG1 3.37Å; R201-T204 PolarHBondContact O-N 2.75Å; T204-L207 PolarHBondContact O-N 3.43Å; T204-H208 PolarHBondContact O-N 3.31Å
205Q85.7Confident82.3Confident58 Ų5844.5 Ų44.527%0.27124%0.235SC..Hα-helixtrans-60.4-46.8172.2-75.7172.9-22.100111.4V116 D117 R201 S202 W203 L207 H208 Y209V116-Q205 WeakPolarHBondContact O-CG 3.16Å; V116-Q205 PolarHBondContact O-NE2 3.25Å; V116-Q205 VanDerWaalsContact O-NE2 3.07Å; D117-Q205 VanDerWaalsContact C-NE2 3.25Å; D117-Q205 PolarHBondContact O-NE2 3.34Å; R201-Q205 WeakPolarHBondContact O-CB 3.29Å; R201-Q205 VanDerWaalsContact O-CG 3.23Å; R201-Q205 WeakPolarHBondContact O-CG 3.39Å; R201-Q205 PolarHBondContact O-N 3.18Å; S202-Q205 WeakPolarHBondContact O-CB 3.4Å; S202-Q205 PolarHBondContact O-N 3.36Å; W203-Q205 VanDerWaalsContact C-N 3.35Å; Q205-L207 PolarHBondContact O-N 2.81Å; Q205-H208 WeakPolarHBondContact O-CB 3.46Å; Q205-H208 PolarHBondContact O-N 3Å; Q205-H208 VanDerWaalsContact O-N 3.11Å; Q205-Y209 HydrophobicContact CB-CD2 4.43Å; Q205-Y209 HydrophobicContact CB-CE2 4.27Å; Q205-Y209 WeakPolarHBondContact O-CD2 3.46Å; Q205-Y209 PolarHBondContact O-N 3.47Å
206G81.7Confident80.9Confident25 Ų2549.6 Ų49.626%0.25826%0.259SS..Hα-helixtrans-55.8-42.5176.500000111.9S202 W203 F210S202-G206 PolarHBondContact O-N 2.83Å; W203-G206 PolarHBondContact O-N 3.42Å; G206-F210 WeakPolarHBondContact O-CB 3.49Å; G206-F210 PolarHBondContact O-N 2.98Å
207L83.4Confident79.1Confident0 Ų052.4 Ų52.40%029%0.289CS..Hα-helixtrans-65.1-45.4173.9-177.958000112.3P111 L114 F166 W168 I187 W203 T204 Q205 Y209 F210 I211P111-L207 HydrophobicContact CG-CD2 3.52Å; L114-L207 HydrophobicContact CD1-CB 4.38Å; L114-L207 HydrophobicContact CD1-CD2 3.94Å; L114-L207 HydrophobicContact CD1-CG 3.69Å; L114-L207 HydrophobicContact CD2-CD2 4.11Å; F166-L207 HydrophobicContact CZ-CD2 4.31Å; W168-L207 HydrophobicContact CZ3-CD1 4.25Å; I187-L207 HydrophobicContact CD1-CB 4.12Å; I187-L207 HydrophobicContact CD1-CD1 3.95Å; I187-L207 HydrophobicContact CG2-CD1 4.18Å; W203-L207 PolarHBondContact O-N 3.27Å; T204-L207 PolarHBondContact O-N 3.43Å; Q205-L207 PolarHBondContact O-N 2.81Å; L207-Y209 PolarHBondContact O-N 2.92Å; L207-F210 HydrophobicContact CD1-CD1 4.43Å; L207-F210 PolarHBondContact O-N 3.26Å; L207-I211 HydrophobicContact CD1-CD1 3.61Å; L207-I211 HydrophobicContact CD1-CG1 4.12Å; L207-I211 HydrophobicContact CG-CD1 3.68Å; L207-I211 WeakPolarHBondContact O-CD1 3.38Å; L207-I211 WeakPolarHBondContact O-CG1 3.37Å; L207-I211 PolarHBondContact O-N 2.72Å
208H84.2Confident77.3Confident36 Ų3655 Ų5517%0.16730%0.298CS..Hα-helixtrans-55.1-48.5175.3173.6-88.5000111.9L114 T204 Q205 I211 S212L114-H208 HydrophobicContact CB-CB 3.97Å; L114-H208 PolarHBondContact O-CD2 3.49Å; L114-H208 VanDerWaalsContact O-CD2 3.29Å; T204-H208 PolarHBondContact O-N 3.31Å; Q205-H208 WeakPolarHBondContact O-CB 3.46Å; Q205-H208 PolarHBondContact O-N 3Å; Q205-H208 VanDerWaalsContact O-N 3.11Å; H208-I211 PolarHBondContact O-N 3.41Å; H208-S212 WeakPolarHBondContact O-CB 3.25Å; H208-S212 PolarHBondContact O-N 2.9Å; H208-S212 PolarHBondContact O-OG 2.9Å
209Y82.6Confident75.1Confident90 Ų9055.8 Ų55.835%0.35330%0.299SS..Hα-helixtrans-65.7-40.6179.2-74.6-64000112.4Q205 L207 S212 T213Q205-Y209 HydrophobicContact CB-CD2 4.43Å; Q205-Y209 HydrophobicContact CB-CE2 4.27Å; Q205-Y209 WeakPolarHBondContact O-CD2 3.46Å; Q205-Y209 PolarHBondContact O-N 3.47Å; L207-Y209 PolarHBondContact O-N 2.92Å; Y209-S212 PolarHBondContact O-N 3.29Å; Y209-T213 WeakPolarHBondContact O-CB 3.49Å; Y209-T213 PolarHBondContact O-N 3.02Å; Y209-T213 PolarHBondContact O-OG1 3.43Å
210F83.1Confident72.5Confident41 Ų4160 Ų6018%0.1832%0.317CS..Hα-helixtrans-57.7-51.6175.3171.7-107.1000111.2W168 I180 P183 P184 I187 G206 L207 S212 T213 A214W168-F210 AromaticContact CH2-CE1 3.97Å; W168-F210 HydrophobicContact CH2-CE1 3.97Å; W168-F210 HydrophobicContact CZ2-CE1 4.38Å; I180-F210 HydrophobicContact CD1-CE1 3.76Å; I180-F210 HydrophobicContact CD1-CZ 3.87Å; I180-F210 HydrophobicContact CG2-CE1 4.08Å; I180-F210 HydrophobicContact CG2-CZ 3.74Å; P183-F210 HydrophobicContact CB-CE1 4.48Å; P184-F210 HydrophobicContact CG-CD1 4.27Å; P184-F210 HydrophobicContact CG-CD2 3.5Å; P184-F210 VanDerWaalsContact CG-CD2 3.5Å; P184-F210 HydrophobicContact CG-CE1 4.32Å; P184-F210 HydrophobicContact CG-CE2 3.55Å; P184-F210 HydrophobicContact CG-CG 3.88Å; P184-F210 HydrophobicContact CG-CZ 3.98Å; I187-F210 HydrophobicContact CD1-CB 4.3Å; G206-F210 WeakPolarHBondContact O-CB 3.49Å; G206-F210 PolarHBondContact O-N 2.98Å; L207-F210 HydrophobicContact CD1-CD1 4.43Å; L207-F210 PolarHBondContact O-N 3.26Å; F210-S212 PolarHBondContact O-N 2.99Å; F210-T213 PolarHBondContact O-N 3.25Å; F210-A214 WeakPolarHBondContact O-CB 3.2Å; F210-A214 PolarHBondContact O-N 2.96Å
211I81Confident69.9Low19 Ų1964.1 Ų64.110%0.09735%0.347CS..Hα-helixtrans-65.1-42.3-178.8-67.5154.1000111.4L114 F171 L178 L207 H208 T213 A214 S215L114-I211 HydrophobicContact CD1-CD1 3.23Å; F171-I211 HydrophobicContact CE1-CD1 3.66Å; F171-I211 HydrophobicContact CE1-CG1 4.07Å; F171-I211 HydrophobicContact CE2-CD1 4.07Å; F171-I211 HydrophobicContact CZ-CD1 3.22Å; F171-I211 HydrophobicContact CZ-CG1 4.08Å; L178-I211 HydrophobicContact CD1-CG2 4.06Å; L178-I211 HydrophobicContact CD2-CG2 3.92Å; L207-I211 HydrophobicContact CD1-CD1 3.61Å; L207-I211 HydrophobicContact CD1-CG1 4.12Å; L207-I211 HydrophobicContact CG-CD1 3.68Å; L207-I211 WeakPolarHBondContact O-CD1 3.38Å; L207-I211 WeakPolarHBondContact O-CG1 3.37Å; L207-I211 PolarHBondContact O-N 2.72Å; H208-I211 PolarHBondContact O-N 3.41Å; I211-T213 VanDerWaalsContact C-N 3.34Å; I211-T213 PolarHBondContact O-N 2.75Å; I211-A214 PolarHBondContact O-N 2.93Å; I211-S215 VanDerWaalsContact O-CB 3.29Å; I211-S215 WeakPolarHBondContact O-CB 3.47Å; I211-S215 PolarHBondContact O-N 2.87Å; I211-S215 PolarHBondContact O-OG 3.23Å
212S79.5Confident67.1Low43 Ų4366.7 Ų66.730%0.30137%0.366SS..Hα-helixtrans-60.7-45.1177.7-58.90000111.3H208 Y209 F210 S215 E216H208-S212 WeakPolarHBondContact O-CB 3.25Å; H208-S212 PolarHBondContact O-N 2.9Å; H208-S212 PolarHBondContact O-OG 2.9Å; Y209-S212 PolarHBondContact O-N 3.29Å; F210-S212 PolarHBondContact O-N 2.99Å; S212-S215 PolarHBondContact O-N 3.06Å; S212-E216 WeakPolarHBondContact O-CG 3.44Å; S212-E216 PolarHBondContact O-N 3.4Å
213T74Confident64.3Low50 Ų5071.1 Ų71.131%0.30739%0.392SS..Hα-helixtrans-65.6-44178.9-55.40000111.7Y209 F210 I211 S215 E216 G217 L252Y209-T213 WeakPolarHBondContact O-CB 3.49Å; Y209-T213 PolarHBondContact O-N 3.02Å; Y209-T213 PolarHBondContact O-OG1 3.43Å; F210-T213 PolarHBondContact O-N 3.25Å; I211-T213 VanDerWaalsContact C-N 3.34Å; I211-T213 PolarHBondContact O-N 2.75Å; T213-S215 VanDerWaalsContact C-N 3.31Å; T213-S215 PolarHBondContact O-N 3.06Å; T213-E216 PolarHBondContact O-N 3.43Å; T213-G217 PolarHBondContact O-N 3.43Å; T213-L252 HydrophobicContact CG2-CD1 3.63Å; T213-L252 HydrophobicContact CG2-CD2 4.1Å
214A71.7Confident61.6Low33 Ų3374.1 Ų74.127%0.27342%0.416SS..Hα-helixtrans-71.1-28.6-179.800000112.6I180 F210 I211I180-A214 HydrophobicContact CD1-CB 3.12Å; I180-A214 HydrophobicContact CG1-CB 3.81Å; F210-A214 WeakPolarHBondContact O-CB 3.2Å; F210-A214 PolarHBondContact O-N 2.96Å; I211-A214 PolarHBondContact O-N 2.93Å
215S66.4Low58.8Low48 Ų4878.4 Ų78.434%0.33645%0.447SS..Hα-helixtrans-74.4-33.4172.2-54.20000112.1L178 I211 S212 T213 G217 I218L178-S215 VanDerWaalsContact CD2-OG 3.22Å; L178-S215 WeakPolarHBondContact CD2-OG 3.4Å; I211-S215 VanDerWaalsContact O-CB 3.29Å; I211-S215 WeakPolarHBondContact O-CB 3.47Å; I211-S215 PolarHBondContact O-N 2.87Å; I211-S215 PolarHBondContact O-OG 3.23Å; S212-S215 PolarHBondContact O-N 3.06Å; T213-S215 VanDerWaalsContact C-N 3.31Å; T213-S215 PolarHBondContact O-N 3.06Å; S215-G217 VanDerWaalsContact C-N 3.26Å; S215-G217 PolarHBondContact O-N 3.06Å; S215-I218 WeakPolarHBondContact O-CB 3.06Å; S215-I218 PolarHBondContact O-N 2.93Å; S215-I218 VanDerWaalsContact O-N 3.15Å
216E58.5Low56.1Low112 Ų11280.8 Ų80.852%0.52347%0.469SS..Hα-helixtrans-66-26.7177.3-83.3-176171.300113.4S212 T213 I218 K219S212-E216 WeakPolarHBondContact O-CG 3.44Å; S212-E216 PolarHBondContact O-N 3.4Å; T213-E216 PolarHBondContact O-N 3.43Å; E216-I218 PolarHBondContact O-N 2.92Å; E216-I218 VanDerWaalsContact O-N 3.1Å; E216-K219 PolarHBondContact O-N 3.42Å; E216-K219 VanDerWaalsContact O-N 3.13Å
217G49.6Very low53.4Low69 Ų6986.8 Ų86.871%0.71150%0.495SS*.THydrogen-bonded Turntrans-62-12.2172.500000114.3T213 S215T213-G217 PolarHBondContact O-N 3.43Å; S215-G217 VanDerWaalsContact C-N 3.26Å; S215-G217 PolarHBondContact O-N 3.06Å
218I43.8Very low50.8Low85 Ų8593 Ų9344%0.43653%0.533SS..THydrogen-bonded Turntrans-92.9-1179.8-50.7172.9000111.5M177 L179 S215 E216 E220M177-I218 WeakPolarHBondContact O-CD1 3.3Å; L179-I218 HydrophobicContact CD1-CD1 4.15Å; L179-I218 HydrophobicContact CD1-CG1 4.41Å; S215-I218 WeakPolarHBondContact O-CB 3.06Å; S215-I218 PolarHBondContact O-N 2.93Å; S215-I218 VanDerWaalsContact O-N 3.15Å; E216-I218 PolarHBondContact O-N 2.92Å; E216-I218 VanDerWaalsContact O-N 3.1Å; I218-E220 PolarHBondContact O-N 3.4Å
219K35.3Very low48.1Very low164 Ų16499.5 Ų99.571%0.71356%0.563SS**SBendtrans-64.2115.8170.7-73.7-176.1179.3174.40108.9E216E216-K219 PolarHBondContact O-N 3.42Å; E216-K219 VanDerWaalsContact O-N 3.13Å
220E29.3Very low45.3Very low171 Ų171103.7 Ų103.780%0.79959%0.586SS**  trans-34.4141.5-177.5-77.1167.1136.500113.6I218 I222I218-E220 PolarHBondContact O-N 3.4Å; E220-I222 PolarHBondContact O-N 2.81Å
221P30.1Very low42.9Very low118 Ų118109 Ų10977%0.76662%0.615SS**  trans-55.2117.5170.825-31.6000107.4V223P221-V223 PolarHBondContact O-N 2.96Å
222I29.7Very low40.3Very low148 Ų148114.8 Ų114.876%0.75965%0.646SS**  trans-47.8110170.2-65.1163.9000105.6E220 V224E220-I222 PolarHBondContact O-N 2.81Å; I222-V224 PolarHBondContact O-N 3.03Å
223V29.1Very low38.2Very low126 Ų126119.4 Ų119.476%0.76467%0.665SS**  trans-56.9101.3164.7173.70000104.1P221 S225P221-V223 PolarHBondContact O-N 2.96Å; V223-S225 PolarHBondContact O-N 2.87Å
224V28.9Very low36.3Very low120 Ų120122.7 Ų122.773%0.72769%0.687SS**  trans-70.480.7170.6-178.30000105.2I222 S226I222-V224 PolarHBondContact O-N 3.03Å; V224-S226 PolarHBondContact O-N 2.86Å
225S26.8Very low34.1Very low91 Ų91127.6 Ų127.664%0.63671%0.708SS**  trans-59.5108.1164.145.20000106.5V223 D227V223-S225 PolarHBondContact O-N 2.87Å; S225-D227 VanDerWaalsContact C-N 3.3Å; S225-D227 PolarHBondContact O-N 2.84Å
226S29.2Very low32.1Very low107 Ų107130 Ų13075%0.74873%0.725SS**  trans-73.486.3175.2-62.40000108V224V224-S226 PolarHBondContact O-N 2.86Å
227D26.5Very low30.5Very low151 Ų151131.8 Ų131.881%0.80774%0.737SS**  trans-125.1106.9164.3-85.5-39.7000110.3S225S225-D227 VanDerWaalsContact C-N 3.3Å; S225-D227 PolarHBondContact O-N 2.84Å
228V27.7Very low29.2Very low130 Ų130134 Ų13479%0.78874%0.74SS**  trans-32.4123.3161.6177.40000112.7
229Q26.9Very low28.4Very low173 Ų173134 Ų13481%0.80875%0.753SS**  trans-161.1114.2130.5-109.1171.62700111.6I231Q229-I231 PolarHBondContact O-N 3.13Å
230H25.2Very low28.1Very low178 Ų178134.2 Ų134.282%0.82476%0.762SS**  trans-56.4120164.8-95.2-103.4000110.5
231I32.5Very low27.9Very low153 Ų153137.7 Ų137.779%0.78577%0.767SS**  trans-130.7116.9156.5-51.7179.5000108.2Q229Q229-I231 PolarHBondContact O-N 3.13Å
232N25.2Very low27.8Very low141 Ų141139.4 Ų139.475%0.75477%0.77SS**  trans-64.1135.3175.6-75.4-37.4000111.5
233M35.5Very low27.9Very low140 Ų140138 Ų13869%0.6977%0.77SS**  trans8.6145.9148.3-83.4-79.395.200119.7
234P34.9Very low28.1Very low119 Ų119140.6 Ų140.677%0.77377%0.771SS**  -147.9156.860.536.6-15.7000118.6S236P234-S236 PolarHBondContact O-N 3.28Å
235N24.8Very low28.3Very low136 Ų136142.6 Ų142.673%0.72777%0.772SS**  trans-51.6124.3159.5-69.6-34.4000111.8
236S25.4Very low28.8Very low99 Ų99143.4 Ų143.469%0.69277%0.77SS**  179.3138.5128.462.40000112.5P234P234-S236 PolarHBondContact O-N 3.28Å
237I23.8Very low29Very low148 Ų148145.6 Ų145.676%0.75977%0.768SS**  trans82.999.9147.7-59.3151.8000118.4
238C22.7Very low29.4Very low117 Ų117142.6 Ų142.679%0.79175%0.746SS**  trans65.7105.6134.9-71.90000120.8
239A25.8Very low29.6Very low85 Ų85142.3 Ų142.370%0.70273%0.734SS**  68.882.6118.200000117.1
240N29.7Very low29.8Very low168 Ų168145.1 Ų145.190%0.89874%0.738SS**  -119.6114125.8-81.1-40.5000107.8L242N240-L242 PolarHBondContact O-N 3.37Å
241R25.6Very low30.2Very low243 Ų243140 Ų14092%0.91772%0.716SS**  trans-39.7111.1179.6-66166.5177.4170.1-1.2109.7
242L27.5Very low30.3Very low155 Ų155136.6 Ų136.681%0.81270%0.699SS**  trans-47.1136.2157.2-92.8115.3000107N240 K244N240-L242 PolarHBondContact O-N 3.37Å; L242-K244 PolarHBondContact O-N 3.29Å
243P31.9Very low30.6Very low119 Ų119135.2 Ų135.277%0.77369%0.691SS**  trans-50.6126.2177.2-16.827000106.7E245P243-E245 PolarHBondContact O-N 3.07Å
244K33.4Very low30.4Very low180 Ų180133.7 Ų133.778%0.78369%0.694SS**  trans-35.6115.3-179.4-79.2175.2174.21770108.2L242 N246L242-K244 PolarHBondContact O-N 3.29Å; K244-N246 PolarHBondContact O-N 2.87Å
245E33.2Very low30.3Very low161 Ų161133.9 Ų133.975%0.75269%0.693SS**  trans-35.6117.9172.4-163.8176.4-166.700108.7P243 Q247P243-E245 PolarHBondContact O-N 3.07Å; E245-Q247 PolarHBondContact O-N 2.83Å
246N36.7Very low30.4Very low109 Ų109133.6 Ų133.658%0.58369%0.692SS**  trans-45.9112-172-81-22.3000109.3K244 Y248 K249K244-N246 PolarHBondContact O-N 2.87Å; N246-Y248 PolarHBondContact O-N 2.7Å; N246-K249 HydrophobicContact CB-CB 4.47Å; N246-K249 WeakPolarHBondContact O-CB 3.39Å; N246-K249 PolarHBondContact O-N 2.8Å
247Q35.1Very low30.6Very low153 Ų153139.4 Ų139.472%0.71570%0.699SS**THydrogen-bonded Turntrans-60.1-11.1-178.3-69-176.2-34.200112.3E245E245-Q247 PolarHBondContact O-N 2.83Å
248Y33.1Very low30.8Very low87 Ų87140 Ų14034%0.34170%0.703SS.*THydrogen-bonded Turntrans-95.1-6.8-179.8-46.1-54.2000114.1N246 R250 I251 L252 F321N246-Y248 PolarHBondContact O-N 2.7Å; Y248-R250 PolarHBondContact O-N 2.7Å; Y248-R250 VanDerWaalsContact O-N 3.17Å; Y248-I251 WeakPolarHBondContact O-CB 3.22Å; Y248-I251 PolarHBondContact O-N 3.4Å; Y248-L252 PolarHBondContact O-N 3.24Å; Y248-F321 HydrophobicContact CD1-CD1 4.3Å; Y248-F321 AromaticContact CD1-CE1 3.19Å; Y248-F321 HydrophobicContact CD1-CE1 3.19Å; Y248-F321 HydrophobicContact CD1-CE2 4.39Å; Y248-F321 AromaticContact CD1-CZ 3.24Å; Y248-F321 HydrophobicContact CD1-CZ 3.24Å; Y248-F321 AromaticContact CE1-CD1 3.7Å; Y248-F321 HydrophobicContact CE1-CD1 3.7Å; Y248-F321 AromaticContact CE1-CE1 2.95Å; Y248-F321 HydrophobicContact CE1-CE1 2.95Å; Y248-F321 AromaticContact CE1-CZ 3.52Å; Y248-F321 HydrophobicContact CE1-CZ 3.52Å; Y248-F321 HydrophobicContact CG-CE1 4.17Å; Y248-F321 HydrophobicContact CG-CZ 4.21Å; Y248-F321 AromaticContact CZ-CE1 3.77Å
249K31.7Very low31.2Very low125 Ų125139 Ų13954%0.54369%0.694SS.*Hα-helixtrans-60.6-29.4-177.9-150.3178.3-173.1-177.40112.5N246 I251N246-K249 HydrophobicContact CB-CB 4.47Å; N246-K249 WeakPolarHBondContact O-CB 3.39Å; N246-K249 PolarHBondContact O-N 2.8Å; K249-I251 VanDerWaalsContact C-N 3.26Å; K249-I251 PolarHBondContact O-N 2.75Å
250R33Very low31.2Very low232 Ų232140 Ų14088%0.87569%0.687SS**Hα-helixtrans-68.8-21.7175.7-73.8-169.9179.3-1690.4113.9Y248Y248-R250 PolarHBondContact O-N 2.7Å; Y248-R250 VanDerWaalsContact O-N 3.17Å
251I33.7Very low31.3Very low71 Ų71138.1 Ų138.136%0.36468%0.676SS.*Hα-helixtrans-88.9-29.6-176.7-51.9-177.2000110.4Y248 K249 N253 F321Y248-I251 WeakPolarHBondContact O-CB 3.22Å; Y248-I251 PolarHBondContact O-N 3.4Å; K249-I251 VanDerWaalsContact C-N 3.26Å; K249-I251 PolarHBondContact O-N 2.75Å; I251-N253 VanDerWaalsContact C-N 3.27Å; I251-N253 PolarHBondContact O-N 3.22Å; I251-F321 HydrophobicContact CD1-CD2 4.5Å; I251-F321 HydrophobicContact CD1-CE2 3.27Å; I251-F321 HydrophobicContact CD1-CZ 3.53Å
252L34Very low31.4Very low81 Ų81133.1 Ų133.142%0.42467%0.667SS.*Hα-helixtrans-72.5-17.6178.3-63.2165.6000113.4T213 Y248 S254T213-L252 HydrophobicContact CG2-CD1 3.63Å; T213-L252 HydrophobicContact CG2-CD2 4.1Å; Y248-L252 PolarHBondContact O-N 3.24Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 2.94Å
253N30.5Very low31.6Very low112 Ų112128.8 Ų128.860%0.59965%0.65SS**THydrogen-bonded Turntrans-81.65.9-174.9-81.3-0.2000115.3I251I251-N253 VanDerWaalsContact C-N 3.27Å; I251-N253 PolarHBondContact O-N 3.22Å
254S31.1Very low31.6Very low108 Ų108129.9 Ų129.976%0.75564%0.643SS**THydrogen-bonded Turntrans-85.5-7.1171.463.10000114.7L252L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 2.94Å
255T34.5Very low31.6Very low123 Ų123125.1 Ų125.176%0.75563%0.629SS**SBendtrans-119.22.2-178.5-30.20000114R257T255-R257 PolarHBondContact O-N 3.49Å
256N27.2Very low31.1Very low130 Ų130118.8 Ų118.870%0.69561%0.607SS**  trans-84.458.5172.1-117.2-16.8000110.8
257R28.1Very low30.7Very low221 Ų221118 Ų11883%0.83460%0.603SS**  trans-80.8120.3149-75.7-171.3177.7175.10.5104.3T255 V259T255-R257 PolarHBondContact O-N 3.49Å; R257-V259 PolarHBondContact O-N 2.49Å
258N27.8Very low30.7Very low160 Ų160113.8 Ų113.886%0.85659%0.588SS**  trans-46.692.3165.1-79.9-21.6000107.9D260N258-D260 VanDerWaalsContact C-N 3.34Å; N258-D260 PolarHBondContact O-N 2.95Å
259V31Very low30.4Very low97 Ų97116.7 Ų116.759%0.58860%0.602SS**  trans-77.1102.1165.6178.20000102.5R257 L261R257-V259 PolarHBondContact O-N 2.49Å; V259-L261 VanDerWaalsContact C-N 3.29Å; V259-L261 PolarHBondContact O-N 3.27Å
260D27.4Very low30.4Very low105 Ų105118.6 Ų118.656%0.56161%0.606SS**  trans-59.596.6173.7-167.9-1000107.8N258 D262 S263N258-D260 VanDerWaalsContact C-N 3.34Å; N258-D260 PolarHBondContact O-N 2.95Å; D260-D262 PolarHBondContact O-N 2.99Å; D260-D262 VanDerWaalsContact O-N 3.16Å; D260-S263 PolarHBondContact O-N 3.24Å; D260-S263 PolarHBondContact O-OG 2.99Å
261L30.2Very low30.4Very low128 Ų128112.2 Ų112.267%0.6759%0.59SS**Hα-helixtrans-59-24.6-173.4-85.4121000111.8V259 S263 F264 V265V259-L261 VanDerWaalsContact C-N 3.29Å; V259-L261 PolarHBondContact O-N 3.27Å; L261-S263 VanDerWaalsContact C-N 3.29Å; L261-S263 PolarHBondContact O-N 3.34Å; L261-F264 PolarHBondContact O-N 3.08Å; L261-V265 WeakPolarHBondContact O-CG2 3.43Å; L261-V265 PolarHBondContact O-N 2.89Å
262D29.4Very low30.2Very low138 Ų138113.4 Ų113.474%0.73860%0.596SS**Hα-helixtrans-69.2-29177.8-69.1-15.7000111.9D260 G266D260-D262 PolarHBondContact O-N 2.99Å; D260-D262 VanDerWaalsContact O-N 3.16Å; D262-G266 PolarHBondContact O-N 3.27Å
263S31.7Very low30.1Very low64 Ų64116 Ų11645%0.44861%0.606SS.*Hα-helixtrans-77-29.6176.274.70000113.3D260 L261 N267D260-S263 PolarHBondContact O-N 3.24Å; D260-S263 PolarHBondContact O-OG 2.99Å; L261-S263 VanDerWaalsContact C-N 3.29Å; L261-S263 PolarHBondContact O-N 3.34Å; S263-N267 PolarHBondContact O-N 3.33Å; S263-N267 PolarHBondContact O-ND2 2.88Å
264F31Very low30.4Very low142 Ų142118.2 Ų118.262%0.62361%0.61SS**Hα-helixtrans-82.8-44-175-156.3-100.6000111.4L261 G266 N267 T268L261-F264 PolarHBondContact O-N 3.08Å; F264-G266 VanDerWaalsContact C-N 3.31Å; F264-G266 PolarHBondContact O-N 2.99Å; F264-N267 PolarHBondContact O-N 3.3Å; F264-T268 PolarHBondContact O-N 3.23Å; F264-T268 VanDerWaalsContact O-N 3.16Å; F264-T268 PolarHBondContact O-OG1 2.9Å
265V32.5Very low30.6Very low80 Ų80119.9 Ų119.949%0.48561%0.611SS.*Hα-helixtrans-63.8-39.4174.9-179.20000110.5L261 N267 F269L261-V265 WeakPolarHBondContact O-CG2 3.43Å; L261-V265 PolarHBondContact O-N 2.89Å; V265-N267 VanDerWaalsContact C-N 3.27Å; V265-N267 PolarHBondContact O-N 3.11Å; V265-F269 HydrophobicContact CG1-CD2 3.85Å; V265-F269 HydrophobicContact CG1-CE2 3.92Å; V265-F269 WeakPolarHBondContact O-CD2 3.48Å; V265-F269 PolarHBondContact O-N 3.44Å
266G24.1Very low30.4Very low29 Ų29119.9 Ų119.930%0.29961%0.605SS.*Hα-helixtrans-66.4-21.4179.900000115.5D262 F264D262-G266 PolarHBondContact O-N 3.27Å; F264-G266 VanDerWaalsContact C-N 3.31Å; F264-G266 PolarHBondContact O-N 2.99Å
267N28.6Very low30.6Very low92 Ų92121.5 Ų121.549%0.49261%0.609SS.*Hα-helixtrans-96.6-40.8179.8-70.6-11.9000112S263 F264 V265 F269 R270 D271S263-N267 PolarHBondContact O-N 3.33Å; S263-N267 PolarHBondContact O-ND2 2.88Å; F264-N267 PolarHBondContact O-N 3.3Å; V265-N267 VanDerWaalsContact C-N 3.27Å; V265-N267 PolarHBondContact O-N 3.11Å; N267-F269 VanDerWaalsContact C-N 3.32Å; N267-F269 PolarHBondContact O-N 2.81Å; N267-R270 PolarHBondContact O-N 2.76Å; N267-R270 VanDerWaalsContact O-N 3.15Å; N267-D271 PolarHBondContact O-N 2.62Å
268T33.9Very low30.7Very low65 Ų65118.5 Ų118.540%0.39961%0.608SS.*Hα-helixtrans-64.1-36.5-179.1-44.70000112.5F264 L272F264-T268 PolarHBondContact O-N 3.23Å; F264-T268 VanDerWaalsContact O-N 3.16Å; F264-T268 PolarHBondContact O-OG1 2.9Å; T268-L272 WeakPolarHBondContact O-CD1 3.39Å; T268-L272 PolarHBondContact O-N 3.31Å
269F26.9Very low30.7Very low147 Ų147114.1 Ų114.165%0.64560%0.6SS**Hα-helixtrans-74-30.3175.8-80.2-80.6000113.2V265 N267 E273V265-F269 HydrophobicContact CG1-CD2 3.85Å; V265-F269 HydrophobicContact CG1-CE2 3.92Å; V265-F269 WeakPolarHBondContact O-CD2 3.48Å; V265-F269 PolarHBondContact O-N 3.44Å; N267-F269 VanDerWaalsContact C-N 3.32Å; N267-F269 PolarHBondContact O-N 2.81Å; F269-E273 PolarHBondContact O-N 3.38Å; F269-E273 VanDerWaalsContact O-N 3.13Å
270R31.3Very low30.4Very low165 Ų165117.2 Ų117.262%0.62361%0.614SS**Hα-helixtrans-76.9-31.9179.6-130.2-173.6-69.3-146.8-0.3112.7N267 K274N267-R270 PolarHBondContact O-N 2.76Å; N267-R270 VanDerWaalsContact O-N 3.15Å; R270-K274 PolarHBondContact O-N 3.45Å
271D34.3Very low30.4Very low99 Ų99117.1 Ų117.153%0.52962%0.619SS.*Hα-helixtrans-71.7-36.5174.5-67.7-24.7000111N267 K274 D275N267-D271 PolarHBondContact O-N 2.62Å; D271-K274 PolarHBondContact O-N 3.38Å; D271-D275 PolarHBondContact O-N 2.96Å
272L29Very low30Very low95 Ų95117 Ų11750%0.49762%0.623SS.*Hα-helixtrans-68.3-33.2173.4-83.7159.8000113.5T268 L276T268-L272 WeakPolarHBondContact O-CD1 3.39Å; T268-L272 PolarHBondContact O-N 3.31Å; L272-L276 PolarHBondContact O-N 3.17Å
273E32.2Very low29.8Very low136 Ų136119.9 Ų119.964%0.63663%0.629SS**Hα-helixtrans-73.1-33.2177.6-163168.4-15300111.9F269 L276 E277F269-E273 PolarHBondContact O-N 3.38Å; F269-E273 VanDerWaalsContact O-N 3.13Å; E273-L276 PolarHBondContact O-N 3.3Å; E273-E277 PolarHBondContact O-N 2.92Å
274K37Very low29.4Very low158 Ų158122.8 Ų122.869%0.68764%0.644SS**Hα-helixtrans-68.9-31.8173.1-85.8-175.4174.8-179.90113.9R270 D271 L276R270-K274 PolarHBondContact O-N 3.45Å; D271-K274 PolarHBondContact O-N 3.38Å; K274-L276 PolarHBondContact O-N 3.07Å
275D35.2Very low29Very low143 Ų143126.1 Ų126.177%0.76566%0.659SS**THydrogen-bonded Turntrans-77.8-9.4177.6-73-14.3000112.8D271D271-D275 PolarHBondContact O-N 2.96Å
276L29.2Very low28.5Very low123 Ų123125.7 Ų125.764%0.64467%0.67SS**THydrogen-bonded Turntrans-110.7-5.5-179.2-95.4136.8000114.9L272 E273 K274 I278L272-L276 PolarHBondContact O-N 3.17Å; E273-L276 PolarHBondContact O-N 3.3Å; K274-L276 PolarHBondContact O-N 3.07Å; L276-I278 PolarHBondContact O-N 2.78Å
277E31.3Very low28.4Very low165 Ų165131.9 Ų131.977%0.77169%0.694SS**  trans-73.285.2165.4-82-170.9166.800110E273 G279E273-E277 PolarHBondContact O-N 2.92Å; E277-G279 PolarHBondContact O-N 3.26Å
278I31.3Very low28.1Very low157 Ų157136 Ų13681%0.80571%0.711SS**  trans-47.5110.4165.6-68.7156.3000108.3L276 D280L276-I278 PolarHBondContact O-N 2.78Å; I278-D280 PolarHBondContact O-N 3.26Å
279G27.2Very low27.6Very low68 Ų68138.7 Ų138.770%0.70173%0.727SS**PPolyproline II helixtrans-58.7120.6179.800000111.9E277E277-G279 PolarHBondContact O-N 3.26Å
280D25.1Very low27.4Very low163 Ų163139.2 Ų139.287%0.87274%0.737SS**PPolyproline II helixtrans-65.4141.1159.7-98.2-29.2000109.9I278I278-D280 PolarHBondContact O-N 3.26Å
281P26.6Very low28Very low103 Ų103135.9 Ų135.967%0.66974%0.737SS**PPolyproline II helixtrans-91.7152.7-165.838.1-36.1000112.5
282V23.1Very low27.6Very low125 Ų125138.6 Ų138.676%0.75875%0.751SS**  trans81.2111.5156.6-157.40000117.3
283K25.2Very low27.2Very low198 Ų198141.9 Ų141.986%0.86176%0.764SS**  -177.7119.1111-94.3168.3-169.11740112.4
284T22.7Very low27.1Very low126 Ų126142.5 Ų142.577%0.77377%0.77SS**  trans-52.1138.1162.546.40000114.1
285K23.3Very low26.4Very low212 Ų212141 Ų14192%0.92277%0.765SS**  trans167135.1130.5-95.2172.8180-176.70114.4
286G21.8Very low26Very low70 Ų70141.7 Ų141.772%0.72277%0.769SS**  trans85.5107.3154.900000115.7
287I20.9Very low25.6Very low159 Ų159144.3 Ų144.382%0.81578%0.775SS**  58.4108.363.9-51178.3000114.5
288Q24Very low25.2Very low179 Ų179141.7 Ų141.784%0.83678%0.775SS**  trans158.5104138-88.6176.624.800109.3
289T22Very low24.9Very low121 Ų121141 Ų14174%0.74277%0.772SS**  66.4114.483.258.60000118.2
290N23.4Very low24.6Very low159 Ų159143.8 Ų143.885%0.8577%0.771SS**  trans88.4158.8131.2-980.5000122.7
291P42.4Very low24.8Very low95 Ų95144.1 Ų144.162%0.61777%0.773SS**  trans-121.4165.1-133.641.3-25.2000114.2
292N25.9Very low24.5Very low156 Ų156148.6 Ų148.683%0.83478%0.782SS**  trans-151.1108.1161.3-75-45000105.7
293H21.9Very low24.7Very low163 Ų163148 Ų14876%0.75578%0.783SS**  47.174.860.1-128.2-47.6000113.7H295H293-H295 AromaticContact CE1-CD2 3.8Å
294I29.7Very low24.5Very low150 Ų150148.1 Ų148.177%0.76978%0.783SS**  trans-122.2101.4154-63.9-179.8000108.2
295H21.4Very low24.6Very low126 Ų126151 Ų15158%0.58379%0.788SS**  trans-54.5127156.7-107.7-67.5000109.4H293H293-H295 AromaticContact CE1-CD2 3.8Å
296N28Very low24.5Very low158 Ų158148.4 Ų148.485%0.84578%0.784SS**  trans-128.6101144.6-91.2-24.5000108.4
297K20.9Very low24.7Very low177 Ų177153.5 Ų153.577%0.7779%0.789SS**  trans-71.1160.9154.5-84.5171.6170.8169.70108.6
298S23Very low24.8Very low111 Ų111152.2 Ų152.278%0.77678%0.784SS**  trans107.2125.8166-1620000112.3
299L24.9Very low25Very low142 Ų142151.5 Ų151.574%0.74378%0.78SS**  cis-160.31443.4-14787.1000107.3
300N21.3Very low25.3Very low126 Ų126152 Ų15267%0.67478%0.779SS**  trans9.5116.7146.9-66.8-35.2000118.7
301N28.3Very low25.6Very low171 Ų171151 Ų15191%0.91477%0.773SS**  -126.2111128.4-95.3-22.7000109.7S303N301-S303 PolarHBondContact O-N 3.05Å
302K21.4Very low24.8Very low197 Ų197153.7 Ų153.786%0.85778%0.782SS**  trans-67.2114.1164.6-85.2168.8171.3167.10108.2
303S26.2Very low25Very low113 Ų113153.7 Ų153.779%0.7978%0.782SS**  trans-136.198.6143.356.60000107.9N301 E305N301-S303 PolarHBondContact O-N 3.05Å; S303-E305 PolarHBondContact O-N 3.34Å
304K21.9Very low25.4Very low199 Ų199148.6 Ų148.687%0.86576%0.764SS**  trans-63.3119.5157.9-73.6173.3172.2178.30106.9
305E23.9Very low25.4Very low186 Ų186149.9 Ų149.987%0.86977%0.769SS**  trans-161.3109.1134.3-116.2171-173.900109.8S303 H307S303-E305 PolarHBondContact O-N 3.34Å; E305-H307 PolarHBondContact O-N 2.87Å
306N21.8Very low25.8Very low158 Ų158148.5 Ų148.585%0.84577%0.766SS**  trans-61.9116.2161.7-74.5-32000108.2
307H25.4Very low26.1Very low178 Ų178144.9 Ų144.982%0.82475%0.753SS**  trans-142.796.6139.4-99.9-57.8000110.2E305 H309E305-H307 PolarHBondContact O-N 2.87Å; H307-H309 PolarHBondContact O-N 2.88Å
308N24Very low26.6Very low131 Ų131140.1 Ų140.170%0.70173%0.732SS**  trans-41.7106.9145.8-93.6-24.8000109.7
309H27.6Very low26.9Very low165 Ų165137.3 Ų137.376%0.76471%0.713SS**  trans-135.380.6132.4-92.8-59.1000106.7H307 N311H307-H309 PolarHBondContact O-N 2.88Å; H309-N311 PolarHBondContact O-N 3.04Å; H309-N311 VanDerWaalsContact O-N 3.08Å
310N28.3Very low27.4Very low132 Ų132137.7 Ų137.771%0.70671%0.71SS**  trans-50116.5150.8-83-15.8000106.5N312N310-N312 PolarHBondContact O-N 2.9Å
311N28.6Very low27.9Very low138 Ų138135.3 Ų135.374%0.73869%0.694SS**  trans-59.287.6168.5-73.1-27.3000107.8H309 L313H309-N311 PolarHBondContact O-N 3.04Å; H309-N311 VanDerWaalsContact O-N 3.08Å; N311-L313 HydrophobicContact CB-CG 4.31Å; N311-L313 PolarHBondContact O-N 2.78Å
312N26.1Very low28Very low150 Ų150129.4 Ų129.480%0.80266%0.664SS**  trans-62.678.8146.6-73.9-9.9000105.7N310 S314N310-N312 PolarHBondContact O-N 2.9Å; N312-S314 PolarHBondContact O-N 2.87Å
313L31.1Very low28.2Very low157 Ų157123.3 Ų123.382%0.82265%0.647SS**  trans-64.793.4159-80.1165.5000104.9N311N311-L313 HydrophobicContact CB-CG 4.31Å; N311-L313 PolarHBondContact O-N 2.78Å
314S30Very low28.2Very low56 Ų56122.8 Ų122.839%0.39264%0.639SS.*  trans-52.3144.3-170.3-173.30000111.6N312 D316 S317N312-S314 PolarHBondContact O-N 2.87Å; S314-D316 WeakPolarHBondContact CB-OD2 2.91Å; S314-D316 PolarHBondContact O-N 2.83Å; S314-D316 PolarHBondContact OG-N 3.36Å; S314-D316 PolarHBondContact OG-OD2 2.87Å; S314-S317 PolarHBondContact O-N 3.2Å
315M29.8Very low28.4Very low176 Ų176118.5 Ų118.587%0.86763%0.634SS**THydrogen-bonded Turntrans-42.1-7.9158.1-87.4-78.9-167.700115S317M315-S317 VanDerWaalsContact C-N 3.34Å; M315-S317 PolarHBondContact O-N 3.35Å
316D30.4Very low28.5Very low98 Ų98116.7 Ų116.752%0.52463%0.63SS.*Hα-helixtrans-73.5-11.3177.6-65.8-42.7000115.6S314 F318 S319S314-D316 WeakPolarHBondContact CB-OD2 2.91Å; S314-D316 PolarHBondContact O-N 2.83Å; S314-D316 PolarHBondContact OG-N 3.36Å; S314-D316 PolarHBondContact OG-OD2 2.87Å; D316-F318 VanDerWaalsContact C-N 3.28Å; D316-F318 PolarHBondContact O-N 2.88Å; D316-S319 PolarHBondContact O-OG 2.79Å
317S32.6Very low28.5Very low81 Ų81114.2 Ų114.257%0.56663%0.625SS**Hα-helixtrans-71.4-21.9179.9-66.80000113.7S314 M315S314-S317 PolarHBondContact O-N 3.2Å; M315-S317 VanDerWaalsContact C-N 3.34Å; M315-S317 PolarHBondContact O-N 3.35Å
318F31.7Very low28.7Very low77 Ų77113 Ų11334%0.33863%0.625SS.*Hα-helixtrans-100.2-16.3178.7-110.7-89.7000114.2W203 D316 H320 F321W203-F318 HydrophobicContact CH2-CD1 4.37Å; W203-F318 HydrophobicContact CZ3-CD1 4.3Å; W203-F318 HydrophobicContact CZ3-CE1 4.23Å; D316-F318 VanDerWaalsContact C-N 3.28Å; D316-F318 PolarHBondContact O-N 2.88Å; F318-H320 PolarHBondContact O-N 3.17Å; F318-F321 HydrophobicContact CD1-CD2 4.21Å; F318-F321 HydrophobicContact CE1-CD2 4.39Å; F318-F321 PolarHBondContact O-N 2.98Å
319S30.1Very low28.6Very low53 Ų53115.7 Ų115.737%0.37163%0.633SS.*Hα-helixtrans-64.9-21.8179.1620000113D316 F321 S323D316-S319 PolarHBondContact O-OG 2.79Å; S319-F321 VanDerWaalsContact C-N 3.34Å; S319-F321 PolarHBondContact O-N 2.92Å; S319-S323 PolarHBondContact O-N 3Å
320H35.1Very low28.5Very low149 Ų149115.7 Ų115.769%0.6964%0.638SS**Hα-helixtrans-73.6-15.6177.1-74.6-65.2000115.2F318F318-H320 PolarHBondContact O-N 3.17Å
321F31.3Very low28.3Very low76 Ų76116.5 Ų116.533%0.33364%0.64SS.*Hα-helixtrans-84.9-28.7175.8-77.2-89.7000113.3Y248 I251 F318 S319Y248-F321 HydrophobicContact CD1-CD1 4.3Å; Y248-F321 AromaticContact CD1-CE1 3.19Å; Y248-F321 HydrophobicContact CD1-CE1 3.19Å; Y248-F321 HydrophobicContact CD1-CE2 4.39Å; Y248-F321 AromaticContact CD1-CZ 3.24Å; Y248-F321 HydrophobicContact CD1-CZ 3.24Å; Y248-F321 AromaticContact CE1-CD1 3.7Å; Y248-F321 HydrophobicContact CE1-CD1 3.7Å; Y248-F321 AromaticContact CE1-CE1 2.95Å; Y248-F321 HydrophobicContact CE1-CE1 2.95Å; Y248-F321 AromaticContact CE1-CZ 3.52Å; Y248-F321 HydrophobicContact CE1-CZ 3.52Å; Y248-F321 HydrophobicContact CG-CE1 4.17Å; Y248-F321 HydrophobicContact CG-CZ 4.21Å; Y248-F321 AromaticContact CZ-CE1 3.77Å; I251-F321 HydrophobicContact CD1-CD2 4.5Å; I251-F321 HydrophobicContact CD1-CE2 3.27Å; I251-F321 HydrophobicContact CD1-CZ 3.53Å; F318-F321 HydrophobicContact CD1-CD2 4.21Å; F318-F321 HydrophobicContact CE1-CD2 4.39Å; F318-F321 PolarHBondContact O-N 2.98Å; S319-F321 VanDerWaalsContact C-N 3.34Å; S319-F321 PolarHBondContact O-N 2.92Å
322T30.8Very low28.3Very low47 Ų47116.2 Ų116.229%0.28864%0.644SS.*Hα-helixtrans-103.5-2.6-174.458.40000113.3W203 V324W203-T322 HydrophobicContact CZ2-CG2 4.24Å; T322-V324 VanDerWaalsContact C-N 3.32Å; T322-V324 PolarHBondContact O-N 2.82Å
323S25.5Very low28Very low70 Ų70115.9 Ų115.949%0.4964%0.642SS.*  trans-7488.3171.864.10000109.5S319 S325S319-S323 PolarHBondContact O-N 3Å; S323-S325 PolarHBondContact O-N 2.96Å
324V26.8Very low28Very low102 Ų102115.3 Ų115.362%0.61864%0.64SS**  trans-58.1118.1152.2-176.30000105.2T322 D326T322-V324 VanDerWaalsContact C-N 3.32Å; T322-V324 PolarHBondContact O-N 2.82Å; V324-D326 VanDerWaalsContact C-N 3.29Å; V324-D326 PolarHBondContact O-N 2.85Å
325S25.1Very low27.7Very low109 Ų109119.7 Ų119.776%0.76266%0.658SS**  trans-60.192.4176.7-60.40000109.4S323 S327S323-S325 PolarHBondContact O-N 2.96Å; S325-S327 VanDerWaalsContact C-N 3.26Å; S325-S327 PolarHBondContact O-N 3.05Å
326D26.2Very low27.5Very low148 Ų148115.3 Ų115.379%0.79165%0.645SS**  trans-66.497159.1-78.9-24.1000106.3V324 N328V324-D326 VanDerWaalsContact C-N 3.29Å; V324-D326 PolarHBondContact O-N 2.85Å; D326-N328 VanDerWaalsContact C-N 3.29Å; D326-N328 PolarHBondContact O-N 3.27Å
327S23.1Very low27.4Very low105 Ų105119.8 Ų119.873%0.73466%0.66SS**  trans-57.293.2166.854.50000109S325S325-S327 VanDerWaalsContact C-N 3.26Å; S325-S327 PolarHBondContact O-N 3.05Å
328N27.7Very low27Very low154 Ų154125 Ų12582%0.82467%0.672SS**  trans-138.598.2155-84.8-34.1000108.1D326 L330D326-N328 VanDerWaalsContact C-N 3.29Å; D326-N328 PolarHBondContact O-N 3.27Å; N328-L330 PolarHBondContact O-N 3.02Å
329Q23.7Very low26.9Very low186 Ų186131.4 Ų131.487%0.86970%0.7SS**  trans-54.9120.2165.3-61.4173.88.400109
330L25.3Very low26.5Very low165 Ų165138.1 Ų138.186%0.86472%0.723SS**  trans-150.998.3145.8-114.5145.8000109.1N328 T332N328-L330 PolarHBondContact O-N 3.02Å; L330-T332 PolarHBondContact O-N 2.85Å
331I24.3Very low26.2Very low149 Ų149140.7 Ų140.776%0.76473%0.732SS**  trans-53113.4171.9-61161.2000108.9
332T27.4Very low25.8Very low133 Ų133146.9 Ų146.982%0.81676%0.758SS**  trans-142.475.6149.648.30000109.7L330 N334L330-T332 PolarHBondContact O-N 2.85Å; T332-N334 PolarHBondContact O-N 2.88Å
333N21Very low25.7Very low142 Ų142156 Ų15676%0.75979%0.788SS**  trans-63.9124.2150.2-77.2-21.4000107.5
334N30.8Very low25.5Very low145 Ų145162 Ų16278%0.77581%0.805SS**  176.2110.8126.5-85.1-23.2000112.3T332T332-N334 PolarHBondContact O-N 2.88Å
335L23.9Very low25.6Very low149 Ų149167 Ų16778%0.7882%0.819SS**  40.1113.6126.9-89.584.3000119.5
336S24.8Very low25.5Very low83 Ų83168.6 Ų168.658%0.5882%0.819SS**  42.212111975.60000118.9
337K28.7Very low25.4Very low193 Ų193168 Ų16884%0.83982%0.816SS**  166.7126.9106.3-89.8165.5-174174.50110.3
338K24.1Very low25.4Very low189 Ų189170.4 Ų170.482%0.82282%0.82SS**  trans7.8124.8141-69.9171174.4173.20115.3
339F28.9Very low25.3Very low213 Ų213169.7 Ų169.793%0.93482%0.816SS**  -155.7123.5121.7-97.5-69.7000111.5
340K22.4Very low25.5Very low194 Ų194168.3 Ų168.384%0.84382%0.815SS**  trans-59.7140161.2-65.3169.3171.7176.90109.4
341K27.8Very low25.5Very low203 Ų203166.9 Ų166.988%0.88381%0.808SS**  173.3121.7121-98.3171.6179.5176.50112.1
342K22.8Very low25.5Very low205 Ų205167.8 Ų167.889%0.89181%0.809SS**  trans11.4123.4140.8-63.7-179.3175.3-179.50117.3
343R28.5Very low25.3Very low240 Ų240169.9 Ų169.991%0.90680%0.803SS**  trans-142.8121.1137.6-115.3176.1174.3160.5-2.3109.7
344K22.2Very low25.5Very low196 Ų196169.5 Ų169.585%0.85280%0.797SS**  trans-67.5138.8167.9-67.6172.6171.3-177.90108.2
345F29.2Very low25.3Very low207 Ų207170.4 Ų170.491%0.90879%0.794SS**  trans-116.1130.6146.4-94.7-78.6000108.3
346N23.7Very low25.4Very low141 Ų141169.2 Ų169.275%0.75479%0.787SS**  trans-98.4152.7-169.9-148.618.6000108.6
347N22.4Very low25.4Very low136 Ų136171.8 Ų171.873%0.72779%0.794SS**  trans-2.1137.4155.1-79-9.5000118.7
348N24.8Very low25.5Very low155 Ų155171.8 Ų171.883%0.82979%0.794SS**  -168.8138.3100.7-105-11.1000114.1
349N25.2Very low25.6Very low139 Ų139167.9 Ų167.974%0.74379%0.791SS**  trans-51.9150.5158.7-66.7-34.1000111.2
350N27.8Very low26Very low158 Ų158166 Ų16685%0.84579%0.788SS**  -165.5121.3122.6-96-16.3000112.3
351N24.3Very low26.2Very low135 Ų135165.3 Ų165.372%0.72279%0.785SS**  trans-30.1145.1146.3-58.7-39.7000112.5
352Q24.1Very low26.1Very low167 Ų167163.6 Ų163.678%0.7878%0.781SS**  174121.597.8-118.7159.3-1100112.5
353Y23.8Very low26.4Very low177 Ų177162.2 Ų162.269%0.69478%0.775SS**  65.6120.3127.1-75.8-123.1000121.2
354H26.1Very low26.5Very low135 Ų135158.2 Ų158.263%0.62577%0.771SS**  96123123.2-85.1-21.6000122
355K25.4Very low27Very low164 Ų164157.7 Ų157.771%0.71377%0.772SS**  trans76.2145.2131.4-69.2176.3173.3178.10116.2
356I25.5Very low27.2Very low124 Ų124157.9 Ų157.964%0.63677%0.772SS**  cis-172142.4-1.6-108.3164.2000105
357N24.9Very low27.6Very low137 Ų137156 Ų15673%0.73376%0.762SS**  trans37.3127.5148.8-54.2-16.4000121.7
358K31.2Very low28.5Very low192 Ų192158 Ų15884%0.83577%0.765SS**  -178.5120.1102.1-98.9170.4-179.7176.40113.1
359S27.4Very low29.3Very low107 Ų107155.7 Ų155.775%0.74875%0.752SS**  trans12.6113143.160.90000119.5
360I35.6Very low30.2Very low173 Ų173156 Ų15689%0.88775%0.749SS**  trans-135128.6140.4-63.3-176.5000108.7
361K26.7Very low30.7Very low180 Ų180154 Ų15478%0.78374%0.738SS**  trans-64.5158.5-178.9-75.7167.4166.8174.60112.6
362Q27.4Very low31.2Very low168 Ų168156.5 Ų156.579%0.78574%0.737SS**  trans90133.9149.3-76.1171.624.700120.3
363K29.1Very low31.7Very low176 Ų176154.7 Ų154.777%0.76573%0.729SS**  trans92.4100.8157.7-69173.3-179.1-179.60118
364N29.5Very low32.4Very low156 Ų156152.9 Ų152.983%0.83473%0.73SS**  trans41.984135.9-62.7-8.1000116.7
365H33Very low33Very low185 Ų185153 Ų15386%0.85674%0.735SS**  trans-125.3108.8150-98.5-72.3000108.8N367H365-N367 PolarHBondContact O-N 3.11Å
366F33.6Very low33.6Very low211 Ų211149.1 Ų149.193%0.92573%0.725SS**  trans-43.3124.3165-98.1-97.1000109.6K368F366-K368 PolarHBondContact O-N 3.13Å
367N32.3Very low33.8Very low102 Ų102148.8 Ų148.855%0.54572%0.724SS.*  trans-68.897.1-166.8-168.6-6.9000110.8H365 N369 Q370H365-N367 PolarHBondContact O-N 3.11Å; N367-N369 PolarHBondContact O-N 3.28Å; N367-N369 VanDerWaalsContact OD1-CB 3.32Å; N367-N369 WeakPolarHBondContact OD1-CB 3.22Å; N367-N369 PolarHBondContact OD1-N 3.22Å; N367-Q370 PolarHBondContact O-N 2.88Å
368K41.6Very low34.1Very low178 Ų178151 Ų15177%0.77473%0.73SS**Hα-helixtrans-58.3-8.5173.9-91-179.9175.6175.80114F366F366-K368 PolarHBondContact O-N 3.13Å
369N41.6Very low34.1Very low105 Ų105150.6 Ų150.656%0.56173%0.731SS**Hα-helixtrans-79.6-21.3177.2-65.2-11.6000113.4N367 L371 R372 H373N367-N369 PolarHBondContact O-N 3.28Å; N367-N369 VanDerWaalsContact OD1-CB 3.32Å; N367-N369 WeakPolarHBondContact OD1-CB 3.22Å; N367-N369 PolarHBondContact OD1-N 3.22Å; N369-L371 VanDerWaalsContact C-N 3.34Å; N369-R372 PolarHBondContact O-N 3.17Å; N369-H373 PolarHBondContact O-CD2 2.9Å; N369-H373 VanDerWaalsContact O-CD2 3.31Å; N369-H373 PolarHBondContact O-N 3.32Å
370Q43.2Very low34.2Very low146 Ų146150.5 Ų150.568%0.68273%0.73SS**Hα-helixtrans-73-28.4172.3-73.6-167.8-6.400112.5N367N367-Q370 PolarHBondContact O-N 2.88Å
371L38.6Very low33.8Very low117 Ų117147.4 Ų147.461%0.61372%0.724SS**Hα-helixtrans-76.2-26.2176-150.879.6000112.6N369N369-L371 VanDerWaalsContact C-N 3.34Å
372R35.1Very low34Very low186 Ų186146.2 Ų146.270%0.70273%0.725SS**Hα-helixtrans-73.1-36.2174.1-78.9-167.7176-142.90.1112.5N369 L374 L375 T376N369-R372 PolarHBondContact O-N 3.17Å; R372-L374 PolarHBondContact O-N 3.11Å; R372-L375 PolarHBondContact O-N 3.23Å; R372-L375 VanDerWaalsContact O-N 3.08Å; R372-T376 PolarHBondContact O-N 3.41Å; R372-T376 PolarHBondContact O-OG1 3.24Å
373H33.7Very low34Very low130 Ų130145.3 Ų145.360%0.60273%0.725SS**Hα-helixtrans-65.2-25.7175.8-82.6-70.7000113.8N369N369-H373 PolarHBondContact O-CD2 2.9Å; N369-H373 VanDerWaalsContact O-CD2 3.31Å; N369-H373 PolarHBondContact O-N 3.32Å
374L38.1Very low33.9Very low139 Ų139143.8 Ų143.873%0.72873%0.725SS**Hα-helixtrans-78.5-20.6172.9-89.6152.5000113.8R372R372-L374 PolarHBondContact O-N 3.11Å
375L39.1Very low33.9Very low137 Ų137144.1 Ų144.172%0.71773%0.727SS**Hα-helixtrans-106-10.2-176.2-83.5151.6000114.3R372R372-L375 PolarHBondContact O-N 3.23Å; R372-L375 VanDerWaalsContact O-N 3.08Å
376T38.1Very low33.6Very low82 Ų82144.6 Ų144.650%0.50373%0.73SS.*SBendtrans-107.8-2.1178.252.30000115.3R372 H378R372-T376 PolarHBondContact O-N 3.41Å; R372-T376 PolarHBondContact O-OG1 3.24Å; T376-H378 VanDerWaalsContact C-N 3.34Å; T376-H378 PolarHBondContact O-N 2.92Å
377N30.3Very low33.6Very low117 Ų117140 Ų14063%0.62672%0.723SS**THydrogen-bonded Turntrans-88.711.8179.6-80.95.6000115.3
378H31.1Very low33.7Very low183 Ų183142.1 Ų142.185%0.84774%0.735SS**THydrogen-bonded Turntrans-119.813.2171.4-75.5-62000114.7T376T376-H378 VanDerWaalsContact C-N 3.34Å; T376-H378 PolarHBondContact O-N 2.92Å
379Q32Very low33Very low185 Ų185140.5 Ų140.586%0.86474%0.735SS**SBendtrans-138.256.7174.4-76.5-173.3-20.700112.4
380S28.3Very low32.4Very low105 Ų105142.8 Ų142.873%0.73475%0.747SS**  trans-168.776.7160.859.10000113.4
381S27.8Very low31.7Very low108 Ų108142.8 Ų142.876%0.75575%0.751SS**  trans-179.1121150.461.50000105.8
382L30.9Very low31.5Very low155 Ų155144.7 Ų144.781%0.81276%0.762SS**  cis-13313419.1-78.882.9000107.2
383L28.1Very low31.3Very low149 Ų149143 Ų14378%0.7877%0.768SS**  50.1107.782.7-83.9165.1000114.5
384N25.4Very low31.2Very low144 Ų144143.2 Ų143.277%0.7777%0.773SS**  trans19.1112.3139.8-66.7-8.6000116.7
385D29.6Very low30.9Very low163 Ų163142.4 Ų142.487%0.87277%0.769SS**  -131.8120.6128.1-102.4-28.2000109.3S387D385-S387 PolarHBondContact O-N 3.24Å
386Q27.1Very low31Very low195 Ų195143.9 Ų143.991%0.91178%0.778SS**  trans-64.3117.9159.8-72.7172.9-48.200107
387S34.3Very low31.3Very low113 Ų113147.2 Ų147.279%0.7979%0.793SS**  trans-137.6124.8151.255.50000109D385D385-S387 PolarHBondContact O-N 3.24Å
388D33Very low32Very low147 Ų147148.2 Ų148.279%0.78680%0.798SS**  trans-57.2147.7-178.7-71.5-60.6000112.9
389N28.1Very low33.1Very low144 Ų144146.4 Ų146.477%0.7779%0.794SS**  trans18.2107139.5-68.9-34.2000116.3
390N28.1Very low34.2Very low154 Ų154141.1 Ų141.182%0.82477%0.772SS**  -164.5129.1120.5-100.8-30.3000111.7N392N390-N392 PolarHBondContact O-N 3.47Å
391N30Very low35.7Very low145 Ų145141.3 Ų141.378%0.77577%0.773SS**  trans-1.1113.9149.6-69.7-28.6000115.5
392N32.9Very low37.9Very low157 Ų157143.4 Ų143.484%0.8478%0.776SS**  -156.4112.9124.8-95.8-23.6000109.3N390 N394N390-N392 PolarHBondContact O-N 3.47Å; N392-N394 PolarHBondContact O-N 3.31Å
393N32.3Very low40.2Very low152 Ų152137.2 Ų137.281%0.81374%0.744SS**  trans-46.6122.7148.6-67.9-33.1000107.9
394N31.3Very low42.7Very low133 Ų133132.9 Ų132.971%0.71172%0.722SS**  trans-177.9110.7141.8-86.9-24.2000109.1N392N392-N394 PolarHBondContact O-N 3.31Å
395N32.3Very low45.1Very low123 Ų123131.6 Ų131.666%0.65871%0.711SS**  trans51.882.2141.3-50.8-22000118D397N395-D397 PolarHBondContact O-N 3.13Å
396D41Very low47.4Very low168 Ų168131.5 Ų131.590%0.89870%0.698SS**  trans-88.669.1150.8-71.2-31.2000108.5
397D43.3Very low50Low151 Ų151123.7 Ų123.781%0.80766%0.661SS**  trans-100.118.5164.2-96.5-27000110.8N395N395-D397 PolarHBondContact O-N 3.13Å
398D44.9Very low52.5Low138 Ų138120.4 Ų120.474%0.73863%0.631SS**  trans-104.4100-174.7-76.4-27.4000111.3
399D53.8Low55Low145 Ų145113.4 Ų113.478%0.77559%0.593SS**SBendtrans159.13.1137-86.3-16.8000115.2
400N56.1Low57.7Low75 Ų75108.5 Ų108.540%0.40156%0.564SS.*G310 helixtrans-86.7-2.5177.6-83.9-37.7000115.2N402 R408 V416N400-N402 VanDerWaalsContact C-N 3.26Å; N400-N402 PolarHBondContact O-N 2.86Å; N400-R408 PolarHBondContact O-NE 2.85Å; N400-R408 PolarHBondContact O-NH2 3.46Å; N400-V416 HydrophobicContact CB-CB 4.19Å; N400-V416 HydrophobicContact CB-CG2 4.28Å
401S59.7Low60.3Low108 Ų108101.4 Ų101.476%0.75553%0.527SS*.G310 helixtrans-68.1-19.6-175.963.30000114.3R408S401-R408 VanDerWaalsContact C-NH2 3.28Å; S401-R408 PolarHBondContact O-NH2 3.3Å
402N74.7Confident62.6Low152 Ų15297.2 Ų97.281%0.81351%0.512SS*.G310 helixtrans-89.1-6.3-175.3-161.712.5000114.7N400 D404N400-N402 VanDerWaalsContact C-N 3.26Å; N400-N402 PolarHBondContact O-N 2.86Å; N402-D404 PolarHBondContact O-N 2.68Å
403I78.8Confident64.9Low26 Ų2694 Ų9413%0.13350%0.502CS..SBendtrans-80.9123.4177.9-52.2170000108.6E405 R408 V416 D418I403-E405 PolarHBondContact O-N 3.27Å; I403-R408 HydrophobicContact CB-CG 3.65Å; I403-R408 HydrophobicContact CG2-CB 4.42Å; I403-R408 HydrophobicContact CG2-CG 3.45Å; I403-R408 VanDerWaalsContact CG2-CG 3.45Å; I403-R408 PolarHBondContact O-NE 3.04Å; I403-R408 PolarHBondContact O-NH2 3.09Å; I403-V416 HydrophobicContact CD1-CG1 4.07Å; I403-D418 HydrophobicContact CD1-CB 4.31Å; I403-D418 HydrophobicContact CG2-CB 3.96Å
404D79.7Confident67.1Low58 Ų5889.2 Ų89.231%0.3149%0.488SS..  trans-58.9132.6172.6170.7-5.6000109.8N402 R406 Y407 R408N402-D404 PolarHBondContact O-N 2.68Å; D404-R406 PolarHBondContact O-N 2.66Å; D404-R406 VanDerWaalsContact O-N 3.08Å; D404-R406 PolarHBondContact OD1-N 2.92Å; D404-R406 IonicContact OD1-NE 3.06Å; D404-R406 PolarHBondContact OD1-NE 3.13Å; D404-R406 IonicContact OD2-CZ 3.95Å; D404-R406 IonicContact OD2-NE 3.94Å; D404-R406 PolarHBondContact OD2-NE 3.26Å; D404-R406 IonicContact OD2-NH2 3.28Å; D404-R406 PolarHBondContact OD2-NH2 3.24Å; D404-Y407 HydrophobicContact CB-CD2 3.94Å; D404-Y407 HydrophobicContact CB-CE2 4.46Å; D404-Y407 PolarHBondContact O-N 2.93Å; D404-R408 PolarHBondContact O-N 2.85Å
405E76.6Confident69.6Low117 Ų11788.9 Ų88.955%0.54748%0.483SS..G310 helixtrans-53.7-31.6-176.3-72-168-173.700113.1I403 Y407 R408 R455I403-E405 PolarHBondContact O-N 3.27Å; E405-Y407 PolarHBondContact O-N 3.39Å; E405-Y407 VanDerWaalsContact O-N 3.1Å; E405-R408 PolarHBondContact O-N 3.33Å; E405-R455 IonicContact OE2-NH2 2.67Å; E405-R455 PolarHBondContact OE2-NH2 2.75Å
406R76.9Confident72.1Confident160 Ų16084.2 Ų84.260%0.60446%0.459SS*.G310 helixtrans-64.5-13.4177.3-63.8-178.7-64.8179.20.4113.5D404 G452 V453D404-R406 PolarHBondContact O-N 2.66Å; D404-R406 VanDerWaalsContact O-N 3.08Å; D404-R406 PolarHBondContact OD1-N 2.92Å; D404-R406 IonicContact OD1-NE 3.06Å; D404-R406 PolarHBondContact OD1-NE 3.13Å; D404-R406 IonicContact OD2-CZ 3.95Å; D404-R406 IonicContact OD2-NE 3.94Å; D404-R406 PolarHBondContact OD2-NE 3.26Å; D404-R406 IonicContact OD2-NH2 3.28Å; D404-R406 PolarHBondContact OD2-NH2 3.24Å; R406-G452 CarbonylContact O-C 3.51Å; R406-G452 VanDerWaalsContact O-CA 3.31Å; R406-G452 WeakPolarHBondContact O-CA 3.3Å; R406-V453 PolarHBondContact O-N 3.29Å
407Y83Confident74.2Confident32 Ų3278 Ų7813%0.12543%0.427CS..G310 helixtrans-123.81.5-179.2-53.3-67.9000112.9D404 E405 D418 V419 R420 V450 M451D404-Y407 HydrophobicContact CB-CD2 3.94Å; D404-Y407 HydrophobicContact CB-CE2 4.46Å; D404-Y407 PolarHBondContact O-N 2.93Å; E405-Y407 PolarHBondContact O-N 3.39Å; E405-Y407 VanDerWaalsContact O-N 3.1Å; Y407-D418 WeakPolarHBondContact O-CA 3.31Å; Y407-V419 PolarHBondContact O-N 3.35Å; Y407-R420 HydrophobicContact CD1-CG 4.06Å; Y407-R420 HydrophobicContact CG-CG 4.36Å; Y407-V450 HydrophobicContact CE1-CG1 3.67Å; Y407-M451 WeakPolarHBondContact CD1-O 3.3Å; Y407-M451 VanDerWaalsContact CE1-O 3.23Å; Y407-M451 WeakPolarHBondContact CE1-O 3.5Å
408R85.3Confident76.2Confident43 Ų4371.1 Ų71.116%0.16239%0.39CS..EExtended strand (participates in β ladder)trans-80.9119179.3-84.4-170.1-171.4160.811.6112.2N400 S401 I403 D404 E405 V416 Q441 V453N400-R408 PolarHBondContact O-NE 2.85Å; N400-R408 PolarHBondContact O-NH2 3.46Å; S401-R408 VanDerWaalsContact C-NH2 3.28Å; S401-R408 PolarHBondContact O-NH2 3.3Å; I403-R408 HydrophobicContact CB-CG 3.65Å; I403-R408 HydrophobicContact CG2-CB 4.42Å; I403-R408 HydrophobicContact CG2-CG 3.45Å; I403-R408 VanDerWaalsContact CG2-CG 3.45Å; I403-R408 PolarHBondContact O-NE 3.04Å; I403-R408 PolarHBondContact O-NH2 3.09Å; D404-R408 PolarHBondContact O-N 2.85Å; E405-R408 PolarHBondContact O-N 3.33Å; R408-V416 HydrophobicContact CB-CG1 4.07Å; R408-V416 HydrophobicContact CG-CG1 3.71Å; R408-Q441 PolarHBondContact O-NE2 2.65Å; R408-V453 WeakPolarHBondContact O-CG2 3.49Å
409L85.8Confident78Confident0 Ų064.6 Ų64.60%036%0.355CS..EExtended strand (participates in β ladder)trans-110.2122.8174.3-162.772.3000109.9V416 V417 V419 L422 P433 L435 Q441 V443 V453L409-V416 WeakPolarHBondContact O-CA 3.36Å; L409-V417 WeakPolarHBondContact CB-O 3.13Å; L409-V417 PolarHBondContact N-O 2.8Å; L409-V417 PolarHBondContact O-N 2.89Å; L409-V419 HydrophobicContact CB-CG2 3.92Å; L409-V419 HydrophobicContact CD1-CG2 4.32Å; L409-V419 HydrophobicContact CD2-CG2 4.37Å; L409-V419 HydrophobicContact CG-CG2 4.46Å; L409-L422 HydrophobicContact CD2-CD1 4.41Å; L409-P433 HydrophobicContact CD2-CG 3.63Å; L409-L435 HydrophobicContact CD1-CD1 4.37Å; L409-L435 HydrophobicContact CD1-CD2 3.51Å; L409-L435 HydrophobicContact CD2-CD2 3.57Å; L409-L435 HydrophobicContact CG-CD2 3.47Å; L409-L435 VanDerWaalsContact CG-CD2 3.47Å; L409-Q441 HydrophobicContact CD1-CB 4.46Å; L409-V443 HydrophobicContact CD1-CG2 3.75Å; L409-V443 HydrophobicContact CD2-CG2 4.49Å; L409-V453 HydrophobicContact CB-CG2 4.49Å; L409-V453 HydrophobicContact CD1-CG2 4.1Å
410Y84.7Confident79.3Confident41 Ų4164.3 Ų64.316%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-89.8122.4175.1-65.8-84.3000110V416 D436 Y439Y410-V416 HydrophobicContact CD1-CG2 3.79Å; Y410-V416 HydrophobicContact CE1-CG2 3.59Å; Y410-D436 PolarHBondContact O-N 3.03Å; Y410-Y439 VanDerWaalsContact CB-CD2 3.48Å; Y410-Y439 HydrophobicContact CD1-CD2 4.39Å; Y410-Y439 HydrophobicContact CD1-CE1 4.23Å; Y410-Y439 AromaticContact CD1-CE2 3.85Å; Y410-Y439 HydrophobicContact CD1-CE2 3.85Å; Y410-Y439 AromaticContact CD1-CZ 3.76Å; Y410-Y439 AromaticContact CD2-CD1 3.61Å; Y410-Y439 HydrophobicContact CD2-CD1 3.61Å; Y410-Y439 AromaticContact CD2-CD2 3.92Å; Y410-Y439 HydrophobicContact CD2-CD2 3.92Å; Y410-Y439 AromaticContact CD2-CE1 3.85Å; Y410-Y439 HydrophobicContact CD2-CE1 3.85Å; Y410-Y439 HydrophobicContact CD2-CE2 4.13Å; Y410-Y439 AromaticContact CD2-CG 3.64Å; Y410-Y439 HydrophobicContact CD2-CG 3.64Å; Y410-Y439 HydrophobicContact CE1-CE1 4.2Å; Y410-Y439 AromaticContact CE1-CZ 4Å; Y410-Y439 AromaticContact CE2-CD1 3.83Å; Y410-Y439 HydrophobicContact CE2-CD1 3.83Å; Y410-Y439 AromaticContact CE2-CE1 3.84Å; Y410-Y439 HydrophobicContact CE2-CE1 3.84Å; Y410-Y439 HydrophobicContact CE2-CG 4.33Å; Y410-Y439 HydrophobicContact CG-CD1 4.12Å; Y410-Y439 AromaticContact CG-CD2 3.68Å; Y410-Y439 HydrophobicContact CG-CD2 3.68Å; Y410-Y439 HydrophobicContact CG-CE1 4.07Å; Y410-Y439 AromaticContact CG-CE2 3.62Å; Y410-Y439 HydrophobicContact CG-CE2 3.62Å; Y410-Y439 AromaticContact CG-CG 3.92Å; Y410-Y439 HydrophobicContact CG-CG 3.92Å; Y410-Y439 AromaticContact CG-CZ 3.81Å
411T83.9Confident80.5Confident5 Ų567.9 Ų67.93%0.03136%0.358CS..BIsolated β-bridgetrans-88.6158.817871.50000111.1S413 G414 E415 V417 P433 K434T411-S413 PolarHBondContact O-N 2.8Å; T411-S413 VanDerWaalsContact O-N 3.13Å; T411-S413 PolarHBondContact OG1-OG 3.27Å; T411-G414 PolarHBondContact O-N 3.48Å; T411-E415 PolarHBondContact N-O 2.86Å; T411-E415 WeakPolarHBondContact OG1-CB 3.28Å; T411-E415 PolarHBondContact OG1-N 2.84Å; T411-E415 VanDerWaalsContact OG1-N 3.13Å; T411-E415 PolarHBondContact OG1-O 2.88Å; T411-E415 VanDerWaalsContact OG1-O 3.13Å; T411-V417 HydrophobicContact CG2-CB 4.49Å; T411-V417 HydrophobicContact CG2-CG2 3.63Å; T411-P433 HydrophobicContact CG2-CB 3.82Å; T411-P433 HydrophobicContact CG2-CG 3.8Å; T411-K434 CarbonylContact C-O 3.49Å; T411-K434 WeakPolarHBondContact CA-O 3.45Å
412A77Confident81.7Confident58 Ų5863.6 Ų63.648%0.47933%0.326SS..THydrogen-bonded Turntrans-63.4-15.5176.900000114G414 K434A412-G414 VanDerWaalsContact C-N 3.3Å; A412-K434 HydrophobicContact CB-CB 4.3Å; A412-K434 HydrophobicContact CB-CD 4.22Å; A412-K434 HydrophobicContact CB-CG 4Å; A412-K434 PolarHBondContact N-O 2.96Å
413S82.2Confident81.9Confident89 Ų8962.5 Ų62.562%0.62232%0.32SS*.THydrogen-bonded Turntrans-81.6-8.5171.2490000113.2T411T411-S413 PolarHBondContact O-N 2.8Å; T411-S413 VanDerWaalsContact O-N 3.13Å; T411-S413 PolarHBondContact OG1-OG 3.27Å
414G78.9Confident82.1Confident51 Ų5169.2 Ų69.253%0.52634%0.344SS..SBendtrans89.84.9-174.400000114.1T411 A412T411-G414 PolarHBondContact O-N 3.48Å; A412-G414 VanDerWaalsContact C-N 3.3Å
415E83.9Confident81.9Confident126 Ų12669.1 Ų69.159%0.58935%0.345SS*.  trans-80.6145.7176.3-62.7176.1156.600111T411T411-E415 PolarHBondContact N-O 2.86Å; T411-E415 WeakPolarHBondContact OG1-CB 3.28Å; T411-E415 PolarHBondContact OG1-N 2.84Å; T411-E415 VanDerWaalsContact OG1-N 3.13Å; T411-E415 PolarHBondContact OG1-O 2.88Å; T411-E415 VanDerWaalsContact OG1-O 3.13Å
416V84.7Confident81.7Confident25 Ų2576.2 Ų76.215%0.15237%0.367CS..EExtended strand (participates in β ladder)trans-98.9126.2172-172.60000108.6N400 I403 R408 L409 Y410N400-V416 HydrophobicContact CB-CB 4.19Å; N400-V416 HydrophobicContact CB-CG2 4.28Å; I403-V416 HydrophobicContact CD1-CG1 4.07Å; R408-V416 HydrophobicContact CB-CG1 4.07Å; R408-V416 HydrophobicContact CG-CG1 3.71Å; L409-V416 WeakPolarHBondContact O-CA 3.36Å; Y410-V416 HydrophobicContact CD1-CG2 3.79Å; Y410-V416 HydrophobicContact CE1-CG2 3.59Å
417V85.3Confident81.8Confident38 Ų3872.8 Ų72.823%0.2337%0.368CS..EExtended strand (participates in β ladder)trans-120.5136.1-179.2-1780000109.4L409 T411 L422L409-V417 WeakPolarHBondContact CB-O 3.13Å; L409-V417 PolarHBondContact N-O 2.8Å; L409-V417 PolarHBondContact O-N 2.89Å; T411-V417 HydrophobicContact CG2-CB 4.49Å; T411-V417 HydrophobicContact CG2-CG2 3.63Å; V417-L422 HydrophobicContact CG1-CD2 3.68Å
418D84.7Confident81.3Confident7 Ų773.5 Ų73.54%0.03739%0.385CS..EExtended strand (participates in β ladder)trans-77.4121.8169.5-174.5-21.9000109.9I403 Y407 R420 Q421I403-D418 HydrophobicContact CD1-CB 4.31Å; I403-D418 HydrophobicContact CG2-CB 3.96Å; Y407-D418 WeakPolarHBondContact O-CA 3.31Å; D418-R420 PolarHBondContact O-N 3.44Å; D418-R420 VanDerWaalsContact O-N 3.1Å; D418-R420 VanDerWaalsContact OD1-CB 3.28Å; D418-R420 WeakPolarHBondContact OD1-CB 3.38Å; D418-R420 WeakPolarHBondContact OD1-CG 3.08Å; D418-R420 IonicContact OD1-CZ 3.07Å; D418-R420 PolarHBondContact OD1-N 2.69Å; D418-R420 IonicContact OD1-NE 3.04Å; D418-R420 PolarHBondContact OD1-NE 3.17Å; D418-R420 IonicContact OD1-NH2 3.35Å; D418-R420 IonicContact OD2-CZ 2.76Å; D418-R420 VanDerWaalsContact OD2-CZ 3.28Å; D418-R420 IonicContact OD2-NE 3.41Å; D418-R420 PolarHBondContact OD2-NE 3.35Å; D418-R420 IonicContact OD2-NH2 3.04Å; D418-R420 PolarHBondContact OD2-NH2 3.02Å; D418-Q421 HydrophobicContact CB-CB 4.34Å; D418-Q421 HydrophobicContact CB-CG 3.99Å; D418-Q421 PolarHBondContact O-N 2.87Å
419V83.1Confident80.7Confident1 Ų180.7 Ų80.71%0.00641%0.412CS..G310 helixtrans-55.4-30178.91740000112.7Y407 L409 Q421 L422 V443 M451 V453Y407-V419 PolarHBondContact O-N 3.35Å; L409-V419 HydrophobicContact CB-CG2 3.92Å; L409-V419 HydrophobicContact CD1-CG2 4.32Å; L409-V419 HydrophobicContact CD2-CG2 4.37Å; L409-V419 HydrophobicContact CG-CG2 4.46Å; V419-Q421 VanDerWaalsContact C-N 3.26Å; V419-Q421 PolarHBondContact O-N 3.11Å; V419-L422 HydrophobicContact CB-CD1 4.32Å; V419-L422 HydrophobicContact CG1-CD1 4.03Å; V419-L422 HydrophobicContact CG2-CD1 4.45Å; V419-L422 WeakPolarHBondContact O-CG 3.45Å; V419-L422 PolarHBondContact O-N 3.37Å; V419-V443 HydrophobicContact CG1-CG1 3.87Å; V419-V443 HydrophobicContact CG2-CG2 4.38Å; V419-M451 HydrophobicContact CG1-CB 3.66Å; V419-M451 HydrophobicContact CG1-CE 3.96Å; V419-M451 HydrophobicContact CG1-CG 3.37Å; V419-M451 HydrophobicContact CG1-SD 3.39Å; V419-M451 WeakPolarHBondContact CG1-SD 3.29Å; V419-V453 HydrophobicContact CB-CG2 4.46Å; V419-V453 HydrophobicContact CG2-CG2 3.31Å
420R79.5Confident80.3Confident138 Ų13883.4 Ų83.452%0.52143%0.426SS..G310 helixtrans-70.2-24178.4-58.5172.9-65-177.52.2112.6Y407 D418Y407-R420 HydrophobicContact CD1-CG 4.06Å; Y407-R420 HydrophobicContact CG-CG 4.36Å; D418-R420 PolarHBondContact O-N 3.44Å; D418-R420 VanDerWaalsContact O-N 3.1Å; D418-R420 VanDerWaalsContact OD1-CB 3.28Å; D418-R420 WeakPolarHBondContact OD1-CB 3.38Å; D418-R420 WeakPolarHBondContact OD1-CG 3.08Å; D418-R420 IonicContact OD1-CZ 3.07Å; D418-R420 PolarHBondContact OD1-N 2.69Å; D418-R420 IonicContact OD1-NE 3.04Å; D418-R420 PolarHBondContact OD1-NE 3.17Å; D418-R420 IonicContact OD1-NH2 3.35Å; D418-R420 IonicContact OD2-CZ 2.76Å; D418-R420 VanDerWaalsContact OD2-CZ 3.28Å; D418-R420 IonicContact OD2-NE 3.41Å; D418-R420 PolarHBondContact OD2-NE 3.35Å; D418-R420 IonicContact OD2-NH2 3.04Å; D418-R420 PolarHBondContact OD2-NH2 3.02Å
421Q83Confident79.9Confident151 Ų15185.1 Ų85.171%0.70644%0.441SS*.G310 helixtrans-95.52.7-178.7-59-175.216.100113D418 V419 N423D418-Q421 HydrophobicContact CB-CB 4.34Å; D418-Q421 HydrophobicContact CB-CG 3.99Å; D418-Q421 PolarHBondContact O-N 2.87Å; V419-Q421 VanDerWaalsContact C-N 3.26Å; V419-Q421 PolarHBondContact O-N 3.11Å; Q421-N423 PolarHBondContact O-N 3.45Å
422L83.3Confident79.7Confident18 Ų1889.5 Ų89.59%0.09446%0.463CS..  trans-61.6134.7-179.8-69.4173.7000112L409 V417 V419 R424 I430 L432 P433L409-L422 HydrophobicContact CD2-CD1 4.41Å; V417-L422 HydrophobicContact CG1-CD2 3.68Å; V419-L422 HydrophobicContact CB-CD1 4.32Å; V419-L422 HydrophobicContact CG1-CD1 4.03Å; V419-L422 HydrophobicContact CG2-CD1 4.45Å; V419-L422 WeakPolarHBondContact O-CG 3.45Å; V419-L422 PolarHBondContact O-N 3.37Å; L422-R424 PolarHBondContact O-N 3.22Å; L422-I430 HydrophobicContact CB-CG2 3.59Å; L422-I430 HydrophobicContact CD1-CG2 3.68Å; L422-I430 HydrophobicContact CG-CG2 4.3Å; L422-L432 HydrophobicContact CD1-CD2 3.86Å; L422-P433 HydrophobicContact CD2-CG 4.28Å
423N80.6Confident79.8Confident128 Ų12888.6 Ų88.668%0.68445%0.452SS*.  trans-58.7137.4178.4-76-42.8000111.2Q421 V431Q421-N423 PolarHBondContact O-N 3.45Å; N423-V431 PolarHBondContact O-N 3.47Å
424R81.5Confident79.6Confident167 Ų16792.6 Ų92.663%0.6346%0.459SS*.BIsolated β-bridgetrans-105.4136.9173.2-65.8-178.8177.3158-1.4110L422 R429 I430L422-R424 PolarHBondContact O-N 3.22Å; R424-R429 CarbonylContact C-O 3.6Å; R424-R429 VanDerWaalsContact CA-O 3.27Å; R424-R429 WeakPolarHBondContact CA-O 3.35Å; R424-I430 HydrophobicContact CG-CG1 4.13Å
425T75.4Confident79.8Confident56 Ų5692.7 Ų92.734%0.34445%0.447SS..  trans-67.7167170.769.90000110.2S427 G428 R429 V431T425-S427 PolarHBondContact O-N 3.35Å; T425-S427 PolarHBondContact OG1-N 3.2Å; T425-S427 PolarHBondContact OG1-OG 2.95Å; T425-G428 PolarHBondContact O-N 2.79Å; T425-R429 HydrophobicContact CG2-CB 4.32Å; T425-R429 PolarHBondContact N-O 3.21Å; T425-R429 WeakPolarHBondContact OG1-CB 3.47Å; T425-R429 PolarHBondContact OG1-N 3.16Å; T425-R429 PolarHBondContact OG1-O 2.94Å; T425-V431 HydrophobicContact CG2-CG2 3.75Å
426R74Confident79.5Confident267 Ų26787.3 Ų87.3100%1.00842%0.422SS*.THydrogen-bonded Turntrans-56.3-20.6173.765179.1175.8-132.3-1.2114.6
427S78.4Confident79Confident88 Ų8891 Ų9162%0.61545%0.449SS*.THydrogen-bonded Turntrans-912.7175.359.50000113.4T425 R429T425-S427 PolarHBondContact O-N 3.35Å; T425-S427 PolarHBondContact OG1-N 3.2Å; T425-S427 PolarHBondContact OG1-OG 2.95Å; S427-R429 VanDerWaalsContact C-N 3.35Å
428G72Confident78.5Confident47 Ų4798.2 Ų98.249%0.48547%0.472SS..SBendtrans83.63.4-177.800000114.7T425T425-G428 PolarHBondContact O-N 2.79Å
429R72.6Confident78.1Confident193 Ų193102.3 Ų102.373%0.72849%0.488SS*.  trans-73.3138176.7-65-176.3179.6-179.7-2110.3R424 T425 S427R424-R429 CarbonylContact C-O 3.6Å; R424-R429 VanDerWaalsContact CA-O 3.27Å; R424-R429 WeakPolarHBondContact CA-O 3.35Å; T425-R429 HydrophobicContact CG2-CB 4.32Å; T425-R429 PolarHBondContact N-O 3.21Å; T425-R429 WeakPolarHBondContact OG1-CB 3.47Å; T425-R429 PolarHBondContact OG1-N 3.16Å; T425-R429 PolarHBondContact OG1-O 2.94Å; S427-R429 VanDerWaalsContact C-N 3.35Å
430I77.1Confident77.7Confident58 Ų58107.2 Ų107.230%0.29751%0.51SS..BIsolated β-bridgetrans-79.3133.6177-62.7134.7000109.2L422 R424 L432 M451L422-I430 HydrophobicContact CB-CG2 3.59Å; L422-I430 HydrophobicContact CD1-CG2 3.68Å; L422-I430 HydrophobicContact CG-CG2 4.3Å; R424-I430 HydrophobicContact CG-CG1 4.13Å; I430-L432 PolarHBondContact O-N 2.76Å; I430-M451 HydrophobicContact CB-CE 4.41Å; I430-M451 HydrophobicContact CD1-CE 3.2Å; I430-M451 HydrophobicContact CD1-SD 3.69Å; I430-M451 HydrophobicContact CG1-CE 3.66Å; I430-M451 HydrophobicContact CG1-SD 4.4Å; I430-M451 HydrophobicContact CG2-CE 4.07Å; I430-M451 HydrophobicContact CG2-SD 4.24Å
431V76.9Confident77.7Confident77 Ų77101.4 Ų101.447%0.46749%0.489SS..  trans-87.4106.3173.7-178.10000107.8N423 T425N423-V431 PolarHBondContact O-N 3.47Å; T425-V431 HydrophobicContact CG2-CG2 3.75Å
432L79.6Confident77.2Confident97 Ų9796 Ų9651%0.50847%0.468SS..PPolyproline II helixtrans-81.9126.2175-70.5170.2000109.8L422 I430 V443L422-L432 HydrophobicContact CD1-CD2 3.86Å; I430-L432 PolarHBondContact O-N 2.76Å; L432-V443 HydrophobicContact CD2-CB 4.05Å; L432-V443 HydrophobicContact CD2-CG1 4.27Å; L432-V443 HydrophobicContact CD2-CG2 3.59Å
433P78.8Confident76.8Confident39 Ų3997.1 Ų97.125%0.25348%0.475SS..PPolyproline II helixtrans-66.7162.2170.829.8-34.3000110L409 T411 L422 L435L409-P433 HydrophobicContact CD2-CG 3.63Å; T411-P433 HydrophobicContact CG2-CB 3.82Å; T411-P433 HydrophobicContact CG2-CG 3.8Å; L422-P433 HydrophobicContact CD2-CG 4.28Å; P433-L435 WeakPolarHBondContact O-CD2 3.47Å; P433-L435 PolarHBondContact O-N 3.07Å
434K79.5Confident76.3Confident173 Ų17393.4 Ų93.475%0.75246%0.458SS*.PPolyproline II helixtrans-64.9119.7171.3-172.1174.2-179.3179.20108.5T411 A412T411-K434 CarbonylContact C-O 3.49Å; T411-K434 WeakPolarHBondContact CA-O 3.45Å; A412-K434 HydrophobicContact CB-CB 4.3Å; A412-K434 HydrophobicContact CB-CD 4.22Å; A412-K434 HydrophobicContact CB-CG 4Å; A412-K434 PolarHBondContact N-O 2.96Å
435L81.5Confident75.7Confident53 Ų5391.4 Ų91.428%0.27746%0.459SS..BIsolated β-bridgetrans-78.4149.5-176.8-53.5-174.8000111.3L409 P433 S437 Q441L409-L435 HydrophobicContact CD1-CD1 4.37Å; L409-L435 HydrophobicContact CD1-CD2 3.51Å; L409-L435 HydrophobicContact CD2-CD2 3.57Å; L409-L435 HydrophobicContact CG-CD2 3.47Å; L409-L435 VanDerWaalsContact CG-CD2 3.47Å; P433-L435 WeakPolarHBondContact O-CD2 3.47Å; P433-L435 PolarHBondContact O-N 3.07Å; L435-S437 PolarHBondContact O-N 3.41Å; L435-Q441 VanDerWaalsContact CD1-O 3.3Å; L435-Q441 WeakPolarHBondContact CD1-O 3.48Å
436D77.7Confident75Confident12 Ų1293.1 Ų93.16%0.06447%0.466CS..  trans-76.3115.4166.8-175.4-11.3000109.7Y410 R438 Y439Y410-D436 PolarHBondContact O-N 3.03Å; D436-R438 PolarHBondContact O-N 3.26Å; D436-R438 VanDerWaalsContact O-N 3.13Å; D436-R438 VanDerWaalsContact OD1-CB 3.29Å; D436-R438 WeakPolarHBondContact OD1-CB 3.45Å; D436-R438 VanDerWaalsContact OD1-CG 3.3Å; D436-R438 WeakPolarHBondContact OD1-CG 3.45Å; D436-R438 PolarHBondContact OD1-N 3.26Å; D436-R438 IonicContact OD1-NE 3.28Å; D436-R438 PolarHBondContact OD1-NE 3.1Å; D436-R438 VanDerWaalsContact OD1-NE 3.16Å; D436-R438 IonicContact OD2-CZ 2.78Å; D436-R438 IonicContact OD2-NE 2.68Å; D436-R438 PolarHBondContact OD2-NE 2.88Å; D436-R438 IonicContact OD2-NH2 3.47Å; D436-R438 PolarHBondContact OD2-NH2 3.08Å; D436-Y439 HydrophobicContact CB-CD2 3.86Å; D436-Y439 HydrophobicContact CB-CE2 4.29Å; D436-Y439 PolarHBondContact O-N 2.83Å; D436-Y439 WeakPolarHBondContact OD2-CE2 3.3Å
437S74.9Confident73.7Confident103 Ų10385.2 Ų85.272%0.7247%0.467SS*.G310 helixtrans-58.6-24.4179.548.20000113.4L435 Y439 E440L435-S437 PolarHBondContact O-N 3.41Å; S437-Y439 PolarHBondContact O-N 2.78Å; S437-E440 PolarHBondContact O-N 3.3Å
438R75.4Confident72.2Confident190 Ų19083.4 Ų83.472%0.71746%0.462SS*.G310 helixtrans-63.4-24.6-178.9-65.1179.5-68.3178.70.8113.6D436D436-R438 PolarHBondContact O-N 3.26Å; D436-R438 VanDerWaalsContact O-N 3.13Å; D436-R438 VanDerWaalsContact OD1-CB 3.29Å; D436-R438 WeakPolarHBondContact OD1-CB 3.45Å; D436-R438 VanDerWaalsContact OD1-CG 3.3Å; D436-R438 WeakPolarHBondContact OD1-CG 3.45Å; D436-R438 PolarHBondContact OD1-N 3.26Å; D436-R438 IonicContact OD1-NE 3.28Å; D436-R438 PolarHBondContact OD1-NE 3.1Å; D436-R438 VanDerWaalsContact OD1-NE 3.16Å; D436-R438 IonicContact OD2-CZ 2.78Å; D436-R438 IonicContact OD2-NE 2.68Å; D436-R438 PolarHBondContact OD2-NE 2.88Å; D436-R438 IonicContact OD2-NH2 3.47Å; D436-R438 PolarHBondContact OD2-NH2 3.08Å
439Y75.2Confident71.4Confident93 Ų9389.7 Ų89.737%0.36548%0.479SS..G310 helixtrans-97.9-5.6-177.7-64.2-85.8000113.5Y410 D436 S437 Q441Y410-Y439 VanDerWaalsContact CB-CD2 3.48Å; Y410-Y439 HydrophobicContact CD1-CD2 4.39Å; Y410-Y439 HydrophobicContact CD1-CE1 4.23Å; Y410-Y439 AromaticContact CD1-CE2 3.85Å; Y410-Y439 HydrophobicContact CD1-CE2 3.85Å; Y410-Y439 AromaticContact CD1-CZ 3.76Å; Y410-Y439 AromaticContact CD2-CD1 3.61Å; Y410-Y439 HydrophobicContact CD2-CD1 3.61Å; Y410-Y439 AromaticContact CD2-CD2 3.92Å; Y410-Y439 HydrophobicContact CD2-CD2 3.92Å; Y410-Y439 AromaticContact CD2-CE1 3.85Å; Y410-Y439 HydrophobicContact CD2-CE1 3.85Å; Y410-Y439 HydrophobicContact CD2-CE2 4.13Å; Y410-Y439 AromaticContact CD2-CG 3.64Å; Y410-Y439 HydrophobicContact CD2-CG 3.64Å; Y410-Y439 HydrophobicContact CE1-CE1 4.2Å; Y410-Y439 AromaticContact CE1-CZ 4Å; Y410-Y439 AromaticContact CE2-CD1 3.83Å; Y410-Y439 HydrophobicContact CE2-CD1 3.83Å; Y410-Y439 AromaticContact CE2-CE1 3.84Å; Y410-Y439 HydrophobicContact CE2-CE1 3.84Å; Y410-Y439 HydrophobicContact CE2-CG 4.33Å; Y410-Y439 HydrophobicContact CG-CD1 4.12Å; Y410-Y439 AromaticContact CG-CD2 3.68Å; Y410-Y439 HydrophobicContact CG-CD2 3.68Å; Y410-Y439 HydrophobicContact CG-CE1 4.07Å; Y410-Y439 AromaticContact CG-CE2 3.62Å; Y410-Y439 HydrophobicContact CG-CE2 3.62Å; Y410-Y439 AromaticContact CG-CG 3.92Å; Y410-Y439 HydrophobicContact CG-CG 3.92Å; Y410-Y439 AromaticContact CG-CZ 3.81Å; D436-Y439 HydrophobicContact CB-CD2 3.86Å; D436-Y439 HydrophobicContact CB-CE2 4.29Å; D436-Y439 PolarHBondContact O-N 2.83Å; D436-Y439 WeakPolarHBondContact OD2-CE2 3.3Å; S437-Y439 PolarHBondContact O-N 2.78Å; Y439-Q441 WeakPolarHBondContact O-CG 3.23Å; Y439-Q441 PolarHBondContact O-N 2.99Å; Y439-Q441 VanDerWaalsContact O-N 3.13Å
440E75.1Confident70.8Confident103 Ų10383.7 Ų83.748%0.48146%0.463SS..  trans44.846.7178.5-58.7-169175.200114S437 N456S437-E440 PolarHBondContact O-N 3.3Å; E440-N456 HydrophobicContact CB-CB 4.06Å; E440-N456 PolarHBondContact O-N 3.44Å; E440-N456 WeakPolarHBondContact OE2-CB 3.05Å
441Q78.8Confident70.5Confident16 Ų1681.7 Ų81.78%0.07545%0.453CS..EExtended strand (participates in β ladder)trans-90.3141.5-174.9-63.9-175.3-51.500111.9R408 L409 L435 Y439 V453 S454R408-Q441 PolarHBondContact O-NE2 2.65Å; L409-Q441 HydrophobicContact CD1-CB 4.46Å; L435-Q441 VanDerWaalsContact CD1-O 3.3Å; L435-Q441 WeakPolarHBondContact CD1-O 3.48Å; Y439-Q441 WeakPolarHBondContact O-CG 3.23Å; Y439-Q441 PolarHBondContact O-N 2.99Å; Y439-Q441 VanDerWaalsContact O-N 3.13Å; Q441-V453 HydrophobicContact CB-CG1 3.8Å; Q441-V453 HydrophobicContact CG-CG1 3.88Å; Q441-S454 CarbonylContact C-O 3.56Å; Q441-S454 WeakPolarHBondContact CA-O 3.49Å
442S73.7Confident70.6Confident38 Ų3878.2 Ų78.227%0.26643%0.433SS..EExtended strand (participates in β ladder)trans-125.5151.5167.775.60000110V453 S454S442-V453 CarbonylContact O-C 3.57Å; S442-V453 WeakPolarHBondContact O-CA 3.44Å; S442-S454 PolarHBondContact N-O 3.02Å; S442-S454 PolarHBondContact O-N 3.1Å
443V73.2Confident70.4Confident41 Ų4174.7 Ų74.725%0.24842%0.415CS..EExtended strand (participates in β ladder)trans-99.4120178.8177.90000109.2L409 V419 L432 M451 G452L409-V443 HydrophobicContact CD1-CG2 3.75Å; L409-V443 HydrophobicContact CD2-CG2 4.49Å; V419-V443 HydrophobicContact CG1-CG1 3.87Å; V419-V443 HydrophobicContact CG2-CG2 4.38Å; L432-V443 HydrophobicContact CD2-CB 4.05Å; L432-V443 HydrophobicContact CD2-CG1 4.27Å; L432-V443 HydrophobicContact CD2-CG2 3.59Å; V443-M451 HydrophobicContact CG1-CG 3.3Å; V443-M451 HydrophobicContact CG1-SD 3.28Å; V443-M451 WeakPolarHBondContact CG1-SD 3.39Å; V443-G452 WeakPolarHBondContact CA-O 3.47Å
444V72.1Confident70.1Confident51 Ų5173.6 Ų73.631%0.30941%0.408SS..EExtended strand (participates in β ladder)trans-115.2141.7-173.7-176.30000110.2M451 G452V444-M451 CarbonylContact O-C 3.55Å; V444-M451 WeakPolarHBondContact O-CA 3.4Å; V444-G452 PolarHBondContact N-O 2.98Å; V444-G452 PolarHBondContact O-N 3.16Å
445L68.4Low69.5Low125 Ų12570 Ų7065%0.65439%0.39SS*.EExtended strand (participates in β ladder)trans-92.6107.3171.4-72.8164.7000108.9M451L445-M451 HydrophobicContact CD2-CB 4.21Å; L445-M451 HydrophobicContact CD2-CG 4.11Å
446N59.8Low68.2Low92 Ų9270.8 Ų70.849%0.49240%0.395SS..EExtended strand (participates in β ladder)trans-74150.2170.1-69.2-24.2000109.3G448 H449 V450N446-G448 PolarHBondContact O-N 3.42Å; N446-H449 PolarHBondContact O-N 2.87Å; N446-V450 WeakPolarHBondContact CB-O 3.41Å; N446-V450 PolarHBondContact N-O 2.67Å
447G47.9Very low66.9Low101 Ų10174 Ų74100%1.04142%0.415SS*.THydrogen-bonded Turntrans-58.225.9-16700000118.9
448G46.3Very low65.6Low49 Ų4973.2 Ų73.251%0.50540%0.403SS..THydrogen-bonded Turntrans-147.931.8175.700000114.2N446 V450N446-G448 PolarHBondContact O-N 3.42Å; G448-V450 PolarHBondContact O-N 2.87Å
449H55.9Low64.2Low180 Ų18067.1 Ų67.183%0.83338%0.384SS*.THydrogen-bonded Turntrans68.43.5-177.6-5379000115.6N446 M451N446-H449 PolarHBondContact O-N 2.87Å; H449-M451 PolarHBondContact O-N 2.88Å
450V59Low62.4Low67 Ų6766.9 Ų66.941%0.40639%0.386SS..EExtended strand (participates in β ladder)trans-86116.7175.4-176.80000108Y407 N446 G448Y407-V450 HydrophobicContact CE1-CG1 3.67Å; N446-V450 WeakPolarHBondContact CB-O 3.41Å; N446-V450 PolarHBondContact N-O 2.67Å; G448-V450 PolarHBondContact O-N 2.87Å
451M71.3Confident60.9Low15 Ų1566.5 Ų66.57%0.07439%0.387CS..EExtended strand (participates in β ladder)trans-87130179.9-159.9-176.3-9.900108.7Y407 V419 I430 V443 V444 L445 H449Y407-M451 WeakPolarHBondContact CD1-O 3.3Å; Y407-M451 VanDerWaalsContact CE1-O 3.23Å; Y407-M451 WeakPolarHBondContact CE1-O 3.5Å; V419-M451 HydrophobicContact CG1-CB 3.66Å; V419-M451 HydrophobicContact CG1-CE 3.96Å; V419-M451 HydrophobicContact CG1-CG 3.37Å; V419-M451 HydrophobicContact CG1-SD 3.39Å; V419-M451 WeakPolarHBondContact CG1-SD 3.29Å; I430-M451 HydrophobicContact CB-CE 4.41Å; I430-M451 HydrophobicContact CD1-CE 3.2Å; I430-M451 HydrophobicContact CD1-SD 3.69Å; I430-M451 HydrophobicContact CG1-CE 3.66Å; I430-M451 HydrophobicContact CG1-SD 4.4Å; I430-M451 HydrophobicContact CG2-CE 4.07Å; I430-M451 HydrophobicContact CG2-SD 4.24Å; V443-M451 HydrophobicContact CG1-CG 3.3Å; V443-M451 HydrophobicContact CG1-SD 3.28Å; V443-M451 WeakPolarHBondContact CG1-SD 3.39Å; V444-M451 CarbonylContact O-C 3.55Å; V444-M451 WeakPolarHBondContact O-CA 3.4Å; L445-M451 HydrophobicContact CD2-CB 4.21Å; L445-M451 HydrophobicContact CD2-CG 4.11Å; H449-M451 PolarHBondContact O-N 2.88Å
452G78.6Confident59Low4 Ų470.9 Ų70.94%0.04141%0.407CS..EExtended strand (participates in β ladder)trans-126.1175.8178.400000111.7R406 V443 V444R406-G452 CarbonylContact O-C 3.51Å; R406-G452 VanDerWaalsContact O-CA 3.31Å; R406-G452 WeakPolarHBondContact O-CA 3.3Å; V443-G452 WeakPolarHBondContact CA-O 3.47Å; V444-G452 PolarHBondContact N-O 2.98Å; V444-G452 PolarHBondContact O-N 3.16Å
453V76Confident57.6Low24 Ų2472.5 Ų72.515%0.14541%0.412CS..EExtended strand (participates in β ladder)trans-107.5125.1175.4-177.20000108.7R406 R408 L409 V419 Q441 S442R406-V453 PolarHBondContact O-N 3.29Å; R408-V453 WeakPolarHBondContact O-CG2 3.49Å; L409-V453 HydrophobicContact CB-CG2 4.49Å; L409-V453 HydrophobicContact CD1-CG2 4.1Å; V419-V453 HydrophobicContact CB-CG2 4.46Å; V419-V453 HydrophobicContact CG2-CG2 3.31Å; Q441-V453 HydrophobicContact CB-CG1 3.8Å; Q441-V453 HydrophobicContact CG-CG1 3.88Å; S442-V453 CarbonylContact O-C 3.57Å; S442-V453 WeakPolarHBondContact O-CA 3.44Å
454S71.5Confident56Low15 Ų1576.9 Ų76.911%0.10543%0.428CS..EExtended strand (participates in β ladder)trans-100.8145.7167.4179.70000108.8Q441 S442 D459Q441-S454 CarbonylContact C-O 3.56Å; Q441-S454 WeakPolarHBondContact CA-O 3.49Å; S442-S454 PolarHBondContact N-O 3.02Å; S442-S454 PolarHBondContact O-N 3.1Å; S454-D459 PolarHBondContact OG-OD2 3.12Å
455R66.6Low54.8Low98 Ų9877.8 Ų77.837%0.3743%0.43SS..EExtended strand (participates in β ladder)trans-100.6140.1167.4-63.9179.3-173159.57.8107.1E405 T457 D458E405-R455 IonicContact OE2-NH2 2.67Å; E405-R455 PolarHBondContact OE2-NH2 2.75Å; R455-T457 PolarHBondContact O-N 2.96Å; R455-D458 PolarHBondContact O-N 2.92Å
456N55.3Low53.6Low70 Ų7078.3 Ų78.337%0.37442%0.424SS..Hα-helixtrans-49.1-26.4179.5-96.4-18.5000114.1E440 D458 Q460E440-N456 HydrophobicContact CB-CB 4.06Å; E440-N456 PolarHBondContact O-N 3.44Å; E440-N456 WeakPolarHBondContact OE2-CB 3.05Å; N456-D458 VanDerWaalsContact C-N 3.31Å; N456-D458 PolarHBondContact O-N 3.19Å; N456-Q460 VanDerWaalsContact O-CB 3.29Å; N456-Q460 WeakPolarHBondContact O-CB 3.44Å; N456-Q460 VanDerWaalsContact O-CG 3.27Å; N456-Q460 WeakPolarHBondContact O-CG 3.33Å; N456-Q460 PolarHBondContact O-N 3.25Å
457T49.5Very low52.8Low79 Ų7977.1 Ų77.149%0.48542%0.423SS..Hα-helixtrans-61-36.5175.551.90000113.3R455 I461R455-T457 PolarHBondContact O-N 2.96Å; T457-I461 WeakPolarHBondContact O-CG1 3.21Å; T457-I461 PolarHBondContact O-N 3.15Å
458D47.4Very low52.6Low87 Ų8775.5 Ų75.547%0.46540%0.395SS..Hα-helixtrans-77.3-39.8-176-61.4-22.9000111R455 N456 I461 H462R455-D458 PolarHBondContact O-N 2.92Å; N456-D458 VanDerWaalsContact C-N 3.31Å; N456-D458 PolarHBondContact O-N 3.19Å; D458-I461 PolarHBondContact O-N 2.92Å; D458-H462 PolarHBondContact O-N 2.86Å
459D45.9Very low52.5Low62 Ų6276.5 Ų76.533%0.33239%0.388SS..Hα-helixtrans-69.4-37.4174.5-69.1-42.2000111.3S454 I461 H462 I463S454-D459 PolarHBondContact OG-OD2 3.12Å; D459-I461 VanDerWaalsContact C-N 3.33Å; D459-I461 PolarHBondContact O-N 3.08Å; D459-H462 PolarHBondContact O-N 2.73Å; D459-I463 HydrophobicContact CB-CD1 4.38Å; D459-I463 VanDerWaalsContact O-CB 3.29Å; D459-I463 WeakPolarHBondContact O-CB 3.24Å; D459-I463 VanDerWaalsContact O-CD1 3.31Å; D459-I463 WeakPolarHBondContact O-CD1 3.42Å; D459-I463 WeakPolarHBondContact O-CG1 3.37Å; D459-I463 PolarHBondContact O-N 3.42Å
460Q39Very low52.5Low87 Ų8771.4 Ų71.441%0.40737%0.367SS..Hα-helixtrans-62.5-36.3175-83.1-170.44300112.8N456 K464N456-Q460 VanDerWaalsContact O-CB 3.29Å; N456-Q460 WeakPolarHBondContact O-CB 3.44Å; N456-Q460 VanDerWaalsContact O-CG 3.27Å; N456-Q460 WeakPolarHBondContact O-CG 3.33Å; N456-Q460 PolarHBondContact O-N 3.25Å; Q460-K464 WeakPolarHBondContact O-CB 3.46Å; Q460-K464 WeakPolarHBondContact O-CG 3.37Å; Q460-K464 PolarHBondContact O-N 3.26Å
461I42Very low52Low96 Ų9677 Ų7749%0.49238%0.38SS..Hα-helixtrans-67-48.6178.8-69.7165.8000110.1T457 D458 D459 I463 K464 I465T457-I461 WeakPolarHBondContact O-CG1 3.21Å; T457-I461 PolarHBondContact O-N 3.15Å; D458-I461 PolarHBondContact O-N 2.92Å; D459-I461 VanDerWaalsContact C-N 3.33Å; D459-I461 PolarHBondContact O-N 3.08Å; I461-I463 VanDerWaalsContact C-N 3.34Å; I461-I463 PolarHBondContact O-N 3.14Å; I461-K464 PolarHBondContact O-N 3.08Å; I461-I465 HydrophobicContact CG2-CD1 3.74Å; I461-I465 HydrophobicContact CG2-CG1 4.48Å; I461-I465 WeakPolarHBondContact O-CB 3.34Å; I461-I465 WeakPolarHBondContact O-CG1 3.44Å; I461-I465 PolarHBondContact O-N 2.85Å
462H39.8Very low50.8Low108 Ų10878.7 Ų78.750%0.540%0.397SS..Hα-helixtrans-61.5-43.8177.1-86.8-76.3000111.6D458 D459 I465 Y466D458-H462 PolarHBondContact O-N 2.86Å; D459-H462 PolarHBondContact O-N 2.73Å; H462-I465 PolarHBondContact O-N 3.33Å; H462-Y466 WeakPolarHBondContact O-CD2 3.47Å; H462-Y466 PolarHBondContact O-N 2.63Å
463I44.9Very low49.5Very low72 Ų7280.7 Ų80.737%0.36941%0.413SS..Hα-helixtrans-65.2-42.9178.6-69.1164.5000111.6T169 D459 I461 Y466 S467T169-I463 HydrophobicContact CG2-CD1 4.37Å; T169-I463 HydrophobicContact CG2-CG2 3.73Å; D459-I463 HydrophobicContact CB-CD1 4.38Å; D459-I463 VanDerWaalsContact O-CB 3.29Å; D459-I463 WeakPolarHBondContact O-CB 3.24Å; D459-I463 VanDerWaalsContact O-CD1 3.31Å; D459-I463 WeakPolarHBondContact O-CD1 3.42Å; D459-I463 WeakPolarHBondContact O-CG1 3.37Å; D459-I463 PolarHBondContact O-N 3.42Å; I461-I463 VanDerWaalsContact C-N 3.34Å; I461-I463 PolarHBondContact O-N 3.14Å; I463-Y466 PolarHBondContact O-N 2.85Å; I463-S467 VanDerWaalsContact O-CB 3.27Å; I463-S467 WeakPolarHBondContact O-CB 3Å; I463-S467 PolarHBondContact O-N 3.45Å
464K40Very low48.1Very low133 Ų13384.1 Ų84.158%0.57842%0.423SS*.Hα-helixtrans-63.6-40.8175.9-77.7176.4-175.6176.30111.3Q460 I461 S467 S468Q460-K464 WeakPolarHBondContact O-CB 3.46Å; Q460-K464 WeakPolarHBondContact O-CG 3.37Å; Q460-K464 PolarHBondContact O-N 3.26Å; I461-K464 PolarHBondContact O-N 3.08Å; K464-S467 PolarHBondContact O-N 2.77Å; K464-S468 VanDerWaalsContact O-CB 3.27Å; K464-S468 WeakPolarHBondContact O-CB 3.31Å; K464-S468 PolarHBondContact O-N 3Å; K464-S468 PolarHBondContact O-OG 2.93Å
465I45.1Very low47.5Very low69 Ų6986.4 Ų86.435%0.35443%0.434SS..Hα-helixtrans-61.4-51.6175.2-68.7166.3000109.9I461 H462 S467 S468 M469I461-I465 HydrophobicContact CG2-CD1 3.74Å; I461-I465 HydrophobicContact CG2-CG1 4.48Å; I461-I465 WeakPolarHBondContact O-CB 3.34Å; I461-I465 WeakPolarHBondContact O-CG1 3.44Å; I461-I465 PolarHBondContact O-N 2.85Å; H462-I465 PolarHBondContact O-N 3.33Å; I465-S467 PolarHBondContact O-N 2.8Å; I465-S468 PolarHBondContact O-N 2.85Å; I465-S468 PolarHBondContact O-OG 3.02Å; I465-M469 HydrophobicContact CG2-CG 4.38Å; I465-M469 HydrophobicContact CG2-SD 3.87Å; I465-M469 WeakPolarHBondContact O-CB 3.23Å; I465-M469 VanDerWaalsContact O-CG 3.25Å; I465-M469 WeakPolarHBondContact O-CG 3.42Å; I465-M469 PolarHBondContact O-N 2.81Å
466Y44.4Very low46.7Very low137 Ų13785.3 Ų85.354%0.53744%0.44SS..Hα-helixtrans-62.8-39.5179.2-79.4-68.6000113.1H462 I463 M469 L470H462-Y466 WeakPolarHBondContact O-CD2 3.47Å; H462-Y466 PolarHBondContact O-N 2.63Å; I463-Y466 PolarHBondContact O-N 2.85Å; Y466-M469 PolarHBondContact O-N 3.48Å; Y466-L470 WeakPolarHBondContact O-CB 3.34Å; Y466-L470 PolarHBondContact O-N 2.69Å
467S42.4Very low46.5Very low67 Ų6788.2 Ų88.247%0.46945%0.451SS..Hα-helixtrans-65.4-43.7176-171.80000111.6I463 K464 I465 M469 L470 W471I463-S467 VanDerWaalsContact O-CB 3.27Å; I463-S467 WeakPolarHBondContact O-CB 3Å; I463-S467 PolarHBondContact O-N 3.45Å; K464-S467 PolarHBondContact O-N 2.77Å; I465-S467 PolarHBondContact O-N 2.8Å; S467-M469 VanDerWaalsContact C-N 3.34Å; S467-M469 PolarHBondContact O-N 3.27Å; S467-L470 PolarHBondContact O-N 3.06Å; S467-W471 WeakPolarHBondContact O-CB 3.48Å; S467-W471 PolarHBondContact O-N 2.87Å
468S43.5Very low46.6Very low66 Ų6687.6 Ų87.646%0.46245%0.45SS..Hα-helixtrans-63.7-38.4175.374.20000112.3K464 I465 W471 A472K464-S468 VanDerWaalsContact O-CB 3.27Å; K464-S468 WeakPolarHBondContact O-CB 3.31Å; K464-S468 PolarHBondContact O-N 3Å; K464-S468 PolarHBondContact O-OG 2.93Å; I465-S468 PolarHBondContact O-N 2.85Å; I465-S468 PolarHBondContact O-OG 3.02Å; S468-W471 PolarHBondContact O-N 2.91Å; S468-A472 WeakPolarHBondContact O-CB 3.48Å; S468-A472 PolarHBondContact O-N 3.04Å
469M45Very low46.8Very low71 Ų7188.1 Ų88.135%0.3545%0.452SS..Hα-helixtrans-67.1-39.4175.7-71.9178.271.700111.8V11 I465 Y466 S467 A472 A473V11-M469 HydrophobicContact CG2-CE 3.22Å; I465-M469 HydrophobicContact CG2-CG 4.38Å; I465-M469 HydrophobicContact CG2-SD 3.87Å; I465-M469 WeakPolarHBondContact O-CB 3.23Å; I465-M469 VanDerWaalsContact O-CG 3.25Å; I465-M469 WeakPolarHBondContact O-CG 3.42Å; I465-M469 PolarHBondContact O-N 2.81Å; Y466-M469 PolarHBondContact O-N 3.48Å; S467-M469 VanDerWaalsContact C-N 3.34Å; S467-M469 PolarHBondContact O-N 3.27Å; M469-A472 PolarHBondContact O-N 3.1Å; M469-A473 WeakPolarHBondContact O-CB 3.49Å; M469-A473 PolarHBondContact O-N 3.44Å
470L55.6Low47Very low73 Ų7388 Ų8838%0.38246%0.46SS..Hα-helixtrans-68.1-38175.6-163.476.4000111.4A173 Y466 S467 A473 R474A173-L470 HydrophobicContact CB-CD2 3.45Å; A173-L470 VanDerWaalsContact CB-CD2 3.45Å; Y466-L470 WeakPolarHBondContact O-CB 3.34Å; Y466-L470 PolarHBondContact O-N 2.69Å; S467-L470 PolarHBondContact O-N 3.06Å; L470-A473 PolarHBondContact O-N 2.9Å; L470-R474 PolarHBondContact O-N 3.4Å
471W48.6Very low47.5Very low184 Ų18488.8 Ų88.870%0.69747%0.466SS*.Hα-helixtrans-63.9-45.7174.4-157.875.7000111.2S467 S468 A473 R474 I475S467-W471 WeakPolarHBondContact O-CB 3.48Å; S467-W471 PolarHBondContact O-N 2.87Å; S468-W471 PolarHBondContact O-N 2.91Å; W471-A473 PolarHBondContact O-N 2.84Å; W471-R474 PolarHBondContact O-N 2.94Å; W471-I475 HydrophobicContact CD2-CD1 3.71Å; W471-I475 HydrophobicContact CD2-CG1 4.41Å; W471-I475 HydrophobicContact CE3-CD1 3.26Å; W471-I475 HydrophobicContact CE3-CG1 4.35Å; W471-I475 HydrophobicContact CH2-CD1 3.43Å; W471-I475 VanDerWaalsContact CH2-CD1 3.43Å; W471-I475 HydrophobicContact CZ2-CD1 3.84Å; W471-I475 HydrophobicContact CZ3-CD1 3.12Å; W471-I475 HydrophobicContact CZ3-CG1 4.48Å; W471-I475 WeakPolarHBondContact O-CG1 3.4Å; W471-I475 PolarHBondContact O-N 2.95Å
472A45.9Very low48.1Very low50 Ų5088.5 Ų88.541%0.41347%0.465SS..Hα-helixtrans-60.2-44.1173.900000112S468 M469 R474 I475 C476S468-A472 WeakPolarHBondContact O-CB 3.48Å; S468-A472 PolarHBondContact O-N 3.04Å; M469-A472 PolarHBondContact O-N 3.1Å; A472-R474 VanDerWaalsContact C-N 3.31Å; A472-R474 PolarHBondContact O-N 3.5Å; A472-I475 PolarHBondContact O-N 3.2Å; A472-C476 PolarHBondContact O-N 2.85Å; A472-C476 PolarHBondContact O-SG 3.13Å
473A50.9Low48.5Very low46 Ų4690.3 Ų90.338%0.3847%0.474SS..Hα-helixtrans-61.4-39176.200000112.2M469 L470 W471 C476 Q477M469-A473 WeakPolarHBondContact O-CB 3.49Å; M469-A473 PolarHBondContact O-N 3.44Å; L470-A473 PolarHBondContact O-N 2.9Å; W471-A473 PolarHBondContact O-N 2.84Å; A473-C476 PolarHBondContact O-N 3.13Å; A473-Q477 WeakPolarHBondContact O-CG 3.28Å; A473-Q477 PolarHBondContact O-N 3.41Å
474R47.5Very low48.8Very low96 Ų9690.9 Ų90.936%0.36248%0.477SS..Hα-helixtrans-73.2-34.8176.4-78.7-159.9174.8-173.93113.4L470 W471 A472 C476 Q477 S478L470-R474 PolarHBondContact O-N 3.4Å; W471-R474 PolarHBondContact O-N 2.94Å; A472-R474 VanDerWaalsContact C-N 3.31Å; A472-R474 PolarHBondContact O-N 3.5Å; R474-C476 VanDerWaalsContact C-N 3.34Å; R474-Q477 PolarHBondContact O-N 3.13Å; R474-S478 VanDerWaalsContact O-CB 3.31Å; R474-S478 WeakPolarHBondContact O-CB 3.49Å; R474-S478 PolarHBondContact O-N 2.88Å; R474-S478 PolarHBondContact O-OG 3.32Å
475I57.6Low49.3Very low64 Ų6489 Ų8933%0.32847%0.472SS..Hα-helixtrans-63.4-44.6171.1-72.7175.4000109.7W471 A472 Q477 S478 L479W471-I475 HydrophobicContact CD2-CD1 3.71Å; W471-I475 HydrophobicContact CD2-CG1 4.41Å; W471-I475 HydrophobicContact CE3-CD1 3.26Å; W471-I475 HydrophobicContact CE3-CG1 4.35Å; W471-I475 HydrophobicContact CH2-CD1 3.43Å; W471-I475 VanDerWaalsContact CH2-CD1 3.43Å; W471-I475 HydrophobicContact CZ2-CD1 3.84Å; W471-I475 HydrophobicContact CZ3-CD1 3.12Å; W471-I475 HydrophobicContact CZ3-CG1 4.48Å; W471-I475 WeakPolarHBondContact O-CG1 3.4Å; W471-I475 PolarHBondContact O-N 2.95Å; A472-I475 PolarHBondContact O-N 3.2Å; I475-Q477 VanDerWaalsContact C-N 3.35Å; I475-Q477 PolarHBondContact O-N 2.83Å; I475-S478 PolarHBondContact O-N 3.5Å; I475-L479 HydrophobicContact CG2-CD1 3.69Å; I475-L479 HydrophobicContact CG2-CG 4.11Å; I475-L479 WeakPolarHBondContact O-CB 3.45Å; I475-L479 VanDerWaalsContact O-CG 3.29Å; I475-L479 WeakPolarHBondContact O-CG 3.28Å; I475-L479 PolarHBondContact O-N 3.06Å
476C50.4Low49.4Very low75 Ų7592.4 Ų92.451%0.50749%0.485SS..Hα-helixtrans-60.7-42.9175.3-69.20000112.1A472 A473 R474 A480A472-C476 PolarHBondContact O-N 2.85Å; A472-C476 PolarHBondContact O-SG 3.13Å; A473-C476 PolarHBondContact O-N 3.13Å; R474-C476 VanDerWaalsContact C-N 3.34Å; C476-A480 WeakPolarHBondContact O-CB 3.38Å; C476-A480 PolarHBondContact O-N 2.9Å
477Q50.4Low49.7Very low130 Ų13091.6 Ų91.661%0.60748%0.484SS*.Hα-helixtrans-62.9-42.6174-77.1177.5-8.300112.1A473 R474 I475 A480 L481A473-Q477 WeakPolarHBondContact O-CG 3.28Å; A473-Q477 PolarHBondContact O-N 3.41Å; R474-Q477 PolarHBondContact O-N 3.13Å; I475-Q477 VanDerWaalsContact C-N 3.35Å; I475-Q477 PolarHBondContact O-N 2.83Å; Q477-A480 PolarHBondContact O-N 3.29Å; Q477-L481 WeakPolarHBondContact O-CB 3.44Å; Q477-L481 PolarHBondContact O-N 3.33Å
478S52.5Low49.8Very low67 Ų6794.3 Ų94.347%0.46949%0.488SS..Hα-helixtrans-68-40.9-179.9-560000111.4R474 I475 L481 I482R474-S478 VanDerWaalsContact O-CB 3.31Å; R474-S478 WeakPolarHBondContact O-CB 3.49Å; R474-S478 PolarHBondContact O-N 2.88Å; R474-S478 PolarHBondContact O-OG 3.32Å; I475-S478 PolarHBondContact O-N 3.5Å; S478-L481 WeakPolarHBondContact O-CB 3.1Å; S478-L481 PolarHBondContact O-N 3.44Å; S478-I482 VanDerWaalsContact O-CG1 3.25Å; S478-I482 WeakPolarHBondContact O-CG1 3.49Å; S478-I482 PolarHBondContact O-N 2.92Å
479L50.9Low50Low97 Ų9796.3 Ų96.351%0.50849%0.49SS..Hα-helixtrans-64.6-42174.2-72.9173.2000111.5I475 L481 I482 E483I475-L479 HydrophobicContact CG2-CD1 3.69Å; I475-L479 HydrophobicContact CG2-CG 4.11Å; I475-L479 WeakPolarHBondContact O-CB 3.45Å; I475-L479 VanDerWaalsContact O-CG 3.29Å; I475-L479 WeakPolarHBondContact O-CG 3.28Å; I475-L479 PolarHBondContact O-N 3.06Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 3.25Å; L479-I482 PolarHBondContact O-N 3.47Å; L479-E483 PolarHBondContact O-N 2.77Å
480A51.5Low50.2Low59 Ų59100.6 Ų100.649%0.48851%0.507SS..Hα-helixtrans-61.4-37.1173.600000111.9C476 Q477 L484C476-A480 WeakPolarHBondContact O-CB 3.38Å; C476-A480 PolarHBondContact O-N 2.9Å; Q477-A480 PolarHBondContact O-N 3.29Å; A480-L484 WeakPolarHBondContact O-CB 3.35Å; A480-L484 PolarHBondContact O-N 3.42Å
481L49.3Very low50.1Low104 Ų104101.1 Ų101.155%0.54551%0.507SS..Hα-helixtrans-70.6-37.2176-136.3150.7000111.7Q477 S478 L479 L484 I485Q477-L481 WeakPolarHBondContact O-CB 3.44Å; Q477-L481 PolarHBondContact O-N 3.33Å; S478-L481 WeakPolarHBondContact O-CB 3.1Å; S478-L481 PolarHBondContact O-N 3.44Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 3.25Å; L481-L484 WeakPolarHBondContact O-CB 3.39Å; L481-L484 PolarHBondContact O-N 2.84Å; L481-I485 HydrophobicContact CD2-CD1 3.96Å; L481-I485 HydrophobicContact CD2-CG1 4.42Å; L481-I485 VanDerWaalsContact O-CG1 3.3Å; L481-I485 WeakPolarHBondContact O-CG1 3.11Å; L481-I485 PolarHBondContact O-N 3.39Å
482I54.4Low50.2Low91 Ų9199.7 Ų99.747%0.46751%0.508SS..Hα-helixtrans-66.5-44.7174.1-69.5162.5000110.9S478 L479 L484 I485 F486S478-I482 VanDerWaalsContact O-CG1 3.25Å; S478-I482 WeakPolarHBondContact O-CG1 3.49Å; S478-I482 PolarHBondContact O-N 2.92Å; L479-I482 PolarHBondContact O-N 3.47Å; I482-L484 VanDerWaalsContact C-N 3.26Å; I482-L484 PolarHBondContact O-N 3.41Å; I482-I485 PolarHBondContact O-N 2.84Å; I482-F486 PolarHBondContact O-N 3.19Å
483E47.1Very low50.4Low146 Ų146107 Ų10768%0.68253%0.526SS*.Hα-helixtrans-61.5-36.8174.5-75.6-157.1161.500111.8L479 F486 F487L479-E483 PolarHBondContact O-N 2.77Å; E483-F486 PolarHBondContact O-N 2.95Å; E483-F487 WeakPolarHBondContact O-CB 3.46Å; E483-F487 PolarHBondContact O-N 3.28Å
484L51.3Low50.1Low84 Ų84113 Ų11344%0.4454%0.544SS..Hα-helixtrans-63.3-45.9174-165.290.4000111.5A480 L481 I482 F486 F487 F488A480-L484 WeakPolarHBondContact O-CB 3.35Å; A480-L484 PolarHBondContact O-N 3.42Å; L481-L484 WeakPolarHBondContact O-CB 3.39Å; L481-L484 PolarHBondContact O-N 2.84Å; I482-L484 VanDerWaalsContact C-N 3.26Å; I482-L484 PolarHBondContact O-N 3.41Å; L484-F486 VanDerWaalsContact C-N 3.34Å; L484-F486 PolarHBondContact O-N 3.47Å; L484-F487 WeakPolarHBondContact O-CB 3.36Å; L484-F487 PolarHBondContact O-N 3.03Å; L484-F488 HydrophobicContact CD1-CE2 4.12Å; L484-F488 HydrophobicContact CD2-CD2 4.33Å; L484-F488 HydrophobicContact CD2-CE2 3.99Å; L484-F488 HydrophobicContact CG-CD2 3.92Å; L484-F488 HydrophobicContact CG-CE2 3.75Å; L484-F488 VanDerWaalsContact O-CD2 3.23Å; L484-F488 WeakPolarHBondContact O-CD2 3.39Å; L484-F488 PolarHBondContact O-N 3.44Å
485I52.1Low50Low92 Ų92121.1 Ų121.147%0.47258%0.576SS.*Hα-helixtrans-62-43.2176.3-68.4164.4000110.4L481 I482 F487 F488 Q489L481-I485 HydrophobicContact CD2-CD1 3.96Å; L481-I485 HydrophobicContact CD2-CG1 4.42Å; L481-I485 VanDerWaalsContact O-CG1 3.3Å; L481-I485 WeakPolarHBondContact O-CG1 3.11Å; L481-I485 PolarHBondContact O-N 3.39Å; I482-I485 PolarHBondContact O-N 2.84Å; I485-F487 VanDerWaalsContact C-N 3.33Å; I485-F487 PolarHBondContact O-N 3.44Å; I485-F488 PolarHBondContact O-N 3.08Å; I485-Q489 PolarHBondContact O-N 3.3Å
486F47.1Very low49.6Very low141 Ų141124 Ų12462%0.61859%0.589SS**Hα-helixtrans-63.4-38.9176.2-117.4-82.7000112I482 E483 L484 K490I482-F486 PolarHBondContact O-N 3.19Å; E483-F486 PolarHBondContact O-N 2.95Å; L484-F486 VanDerWaalsContact C-N 3.34Å; L484-F486 PolarHBondContact O-N 3.47Å; F486-K490 VanDerWaalsContact O-CB 3.3Å; F486-K490 WeakPolarHBondContact O-CB 3.27Å; F486-K490 PolarHBondContact O-N 3.05Å
487F50.6Low49.5Very low120 Ų120126.5 Ų126.553%0.52659%0.593SS.*Hα-helixtrans-63.3-47.1174.8-173.8-94.4000111.2E483 L484 I485 K490 Q491E483-F487 WeakPolarHBondContact O-CB 3.46Å; E483-F487 PolarHBondContact O-N 3.28Å; L484-F487 WeakPolarHBondContact O-CB 3.36Å; L484-F487 PolarHBondContact O-N 3.03Å; I485-F487 VanDerWaalsContact C-N 3.33Å; I485-F487 PolarHBondContact O-N 3.44Å; F487-K490 PolarHBondContact O-N 2.96Å; F487-Q491 HydrophobicContact CD1-CG 4.24Å; F487-Q491 HydrophobicContact CE1-CG 3.95Å; F487-Q491 HydrophobicContact CZ-CG 4.35Å; F487-Q491 WeakPolarHBondContact O-CG 3.48Å; F487-Q491 PolarHBondContact O-N 3.31Å
488F44.4Very low49.5Very low124 Ų124126.3 Ų126.354%0.54459%0.592SS.*Hα-helixtrans-65.7-40.1177.4-82-69.1000112.9L484 I485 K490 Q491 H492L484-F488 HydrophobicContact CD1-CE2 4.12Å; L484-F488 HydrophobicContact CD2-CD2 4.33Å; L484-F488 HydrophobicContact CD2-CE2 3.99Å; L484-F488 HydrophobicContact CG-CD2 3.92Å; L484-F488 HydrophobicContact CG-CE2 3.75Å; L484-F488 VanDerWaalsContact O-CD2 3.23Å; L484-F488 WeakPolarHBondContact O-CD2 3.39Å; L484-F488 PolarHBondContact O-N 3.44Å; I485-F488 PolarHBondContact O-N 3.08Å; F488-K490 VanDerWaalsContact C-N 3.33Å; F488-K490 PolarHBondContact O-N 3.48Å; F488-Q491 PolarHBondContact O-N 3.4Å; F488-H492 PolarHBondContact O-N 3.25Å
489Q46.7Very low49.3Very low108 Ų108129.8 Ų129.851%0.50560%0.599SS.*Hα-helixtrans-61.1-42.1172.4-93.4-164.8-26.100111.7I485 Q491 H492 Y493I485-Q489 PolarHBondContact O-N 3.3Å; Q489-Q491 VanDerWaalsContact C-N 3.3Å; Q489-Q491 PolarHBondContact O-N 3.21Å; Q489-H492 PolarHBondContact O-N 3.39Å; Q489-H492 VanDerWaalsContact O-N 3.16Å; Q489-Y493 WeakPolarHBondContact O-CD2 3.32Å; Q489-Y493 PolarHBondContact O-N 2.99Å
490K49.9Very low49.2Very low162 Ų162131.9 Ų131.970%0.70461%0.605SS**Hα-helixtrans-66.6-31.1179-162.3175.2-175.3177.30112.7F486 F487 F488F486-K490 VanDerWaalsContact O-CB 3.3Å; F486-K490 WeakPolarHBondContact O-CB 3.27Å; F486-K490 PolarHBondContact O-N 3.05Å; F487-K490 PolarHBondContact O-N 2.96Å; F488-K490 VanDerWaalsContact C-N 3.33Å; F488-K490 PolarHBondContact O-N 3.48Å
491Q54.2Low49Very low83 Ų83136.7 Ų136.739%0.38861%0.613SS.*Hα-helixtrans-72.9-36.1172-65.1-63-17.300111.9F487 F488 Q489 Y493 K494F487-Q491 HydrophobicContact CD1-CG 4.24Å; F487-Q491 HydrophobicContact CE1-CG 3.95Å; F487-Q491 HydrophobicContact CZ-CG 4.35Å; F487-Q491 WeakPolarHBondContact O-CG 3.48Å; F487-Q491 PolarHBondContact O-N 3.31Å; F488-Q491 PolarHBondContact O-N 3.4Å; Q489-Q491 VanDerWaalsContact C-N 3.3Å; Q489-Q491 PolarHBondContact O-N 3.21Å; Q491-Y493 VanDerWaalsContact C-N 3.27Å; Q491-Y493 PolarHBondContact O-N 3.05Å; Q491-K494 PolarHBondContact O-N 3.23Å; Q491-K494 VanDerWaalsContact O-N 3.13Å
492H50.3Low49Very low155 Ų155139.1 Ų139.172%0.71862%0.618SS**Hα-helixtrans-69.5-21.9178.7-123.7-73.8000114F488 Q489 K494F488-H492 PolarHBondContact O-N 3.25Å; Q489-H492 PolarHBondContact O-N 3.39Å; Q489-H492 VanDerWaalsContact O-N 3.16Å; H492-K494 VanDerWaalsContact C-N 3.34Å
493Y49.1Very low48.6Very low202 Ų202142.8 Ų142.879%0.79263%0.63SS**THydrogen-bonded Turntrans-86.3-0.4172.4-89.2-79.8000114.2Q489 Q491Q489-Y493 WeakPolarHBondContact O-CD2 3.32Å; Q489-Y493 PolarHBondContact O-N 2.99Å; Q491-Y493 VanDerWaalsContact C-N 3.27Å; Q491-Y493 PolarHBondContact O-N 3.05Å
494K44.9Very low48.7Very low174 Ų174142.5 Ų142.576%0.75763%0.625SS**THydrogen-bonded Turntrans-1000.6177.8-116.5-175179.8-1730114Q491 H492Q491-K494 PolarHBondContact O-N 3.23Å; Q491-K494 VanDerWaalsContact O-N 3.13Å; H492-K494 VanDerWaalsContact C-N 3.34Å
495Y44.4Very low48.5Very low265 Ų265147.8 Ų147.8100%1.03964%0.642SS**  trans-120.70168-69.2-81.9000108.4

Retrieved 495 of 495 residues in 423 ms (Link to these results)

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