A0A077ZCJ7_TRITR Loading...

BTB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 459 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
1M57.4Low81.8Confident197 Ų19784.1 Ų84.197%0.9747%0.465SS*.  0-57.10-149.8173.2-14000111.1A3 R4 C5M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.85Å; M1-R4 PolarHBondContact O-N 2.88Å; M1-R4 VanDerWaalsContact O-N 3.11Å; M1-C5 PolarHBondContact O-N 3.25Å; M1-C5 PolarHBondContact O-SG 3.42Å
2F63.4Low82.3Confident177 Ų17783.3 Ų83.378%0.77647%0.467SS*.Hα-helixtrans-49.4-45.5179.5-66.6-75.2000115.1R4 C5 I6F2-R4 PolarHBondContact O-N 3.25Å; F2-C5 PolarHBondContact O-N 2.94Å; F2-I6 WeakPolarHBondContact O-CG1 3.46Å; F2-I6 PolarHBondContact O-N 3.26Å
3A80.1Confident82.6Confident48 Ų4879 Ų7940%0.39744%0.439SS..Hα-helixtrans-57.6-43.6178.700000113.9M1 I6 L7 Y47M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.85Å; A3-I6 PolarHBondContact O-N 3.31Å; A3-L7 WeakPolarHBondContact O-CG 3.47Å; A3-L7 PolarHBondContact O-N 3.31Å; A3-L7 VanDerWaalsContact O-N 3.12Å; A3-Y47 WeakPolarHBondContact CA-OH 3.47Å; A3-Y47 HydrophobicContact CB-CE1 4.48Å; A3-Y47 WeakPolarHBondContact CB-OH 3.42Å; A3-Y47 PolarHBondContact O-OH 2.88Å; A3-Y47 VanDerWaalsContact O-OH 3.08Å
4R82Confident82.8Confident174 Ų17473.6 Ų73.666%0.65741%0.409SS*.Hα-helixtrans-66.4-40.1178-70-175.9176.4172.7-3.3111.5M1 F2 A8 F18M1-R4 PolarHBondContact O-N 2.88Å; M1-R4 VanDerWaalsContact O-N 3.11Å; F2-R4 PolarHBondContact O-N 3.25Å; R4-A8 VanDerWaalsContact O-CB 3.25Å; R4-A8 WeakPolarHBondContact O-CB 3.4Å; R4-A8 PolarHBondContact O-N 3.44Å; R4-F18 HydrophobicContact CB-CD2 4.16Å; R4-F18 HydrophobicContact CB-CE2 4.11Å; R4-F18 HydrophobicContact CG-CE2 4.28Å; R4-F18 HydrophobicContact CG-CZ 4.28Å
5C85.5Confident83.1Confident77 Ų7772.9 Ų72.952%0.5241%0.411SS..Hα-helixtrans-64.1-42.7178.2-61.20000112M1 F2 A9M1-C5 PolarHBondContact O-N 3.25Å; M1-C5 PolarHBondContact O-SG 3.42Å; F2-C5 PolarHBondContact O-N 2.94Å; C5-A9 VanDerWaalsContact O-CB 3.29Å; C5-A9 WeakPolarHBondContact O-CB 3.39Å; C5-A9 PolarHBondContact O-N 3.2Å
6I89.1Confident83.2Confident69 Ų6972.6 Ų72.635%0.35441%0.412SS..Hα-helixtrans-65-49179.1-67.5166.2000110.5F2 A3 A8 A9 A10 V46 Y47F2-I6 WeakPolarHBondContact O-CG1 3.46Å; F2-I6 PolarHBondContact O-N 3.26Å; A3-I6 PolarHBondContact O-N 3.31Å; I6-A8 PolarHBondContact O-N 3.05Å; I6-A9 PolarHBondContact O-N 3.05Å; I6-A10 WeakPolarHBondContact O-CB 3.47Å; I6-A10 PolarHBondContact O-N 2.9Å; I6-V46 HydrophobicContact CG2-CG1 3.86Å; I6-Y47 HydrophobicContact CB-CE1 4.1Å; I6-Y47 HydrophobicContact CD1-CD1 3.83Å; I6-Y47 HydrophobicContact CD1-CE1 3.65Å; I6-Y47 HydrophobicContact CG1-CE1 4.48Å; I6-Y47 HydrophobicContact CG2-CD1 4.12Å; I6-Y47 HydrophobicContact CG2-CE1 4.05Å
7L87.9Confident83.1Confident22 Ų2268.9 Ų68.912%0.11539%0.392CS..Hα-helixtrans-60.5-44.2178.2-73173.3000111.9A3 A9 A10 S11 F14 F18 L43 V46 Y47A3-L7 WeakPolarHBondContact O-CG 3.47Å; A3-L7 PolarHBondContact O-N 3.31Å; A3-L7 VanDerWaalsContact O-N 3.12Å; L7-A9 VanDerWaalsContact C-N 3.31Å; L7-A9 PolarHBondContact O-N 3.16Å; L7-A10 PolarHBondContact O-N 2.97Å; L7-S11 PolarHBondContact O-N 3.37Å; L7-F14 HydrophobicContact CB-CB 4.06Å; L7-F14 HydrophobicContact CB-CD2 3.84Å; L7-F14 HydrophobicContact CB-CG 4Å; L7-F14 HydrophobicContact CD2-CD2 3.97Å; L7-F14 HydrophobicContact CD2-CE2 3.9Å; L7-F14 HydrophobicContact CG-CD2 4.4Å; L7-F14 WeakPolarHBondContact O-CB 3.27Å; L7-F18 HydrophobicContact CB-CE2 3.93Å; L7-F18 HydrophobicContact CD1-CE2 4.49Å; L7-F18 HydrophobicContact CD1-CZ 4.36Å; L7-L43 HydrophobicContact CD2-CD2 3.91Å; L7-V46 HydrophobicContact CD2-CG1 4.17Å; L7-Y47 HydrophobicContact CD2-CE2 4.21Å; L7-Y47 HydrophobicContact CG-CE2 4.36Å
8A87.5Confident82.9Confident27 Ų2769.1 Ų69.122%0.22339%0.388CS..Hα-helixtrans-62.2-36.9175.400000113R4 I6 F18R4-A8 VanDerWaalsContact O-CB 3.25Å; R4-A8 WeakPolarHBondContact O-CB 3.4Å; R4-A8 PolarHBondContact O-N 3.44Å; I6-A8 PolarHBondContact O-N 3.05Å; A8-F18 HydrophobicContact CB-CD2 4.17Å
9A89.1Confident82.7Confident91 Ų9167.9 Ų67.975%0.75239%0.385SS*.Hα-helixtrans-73.1-35.7178.500000112.3C5 I6 L7C5-A9 VanDerWaalsContact O-CB 3.29Å; C5-A9 WeakPolarHBondContact O-CB 3.39Å; C5-A9 PolarHBondContact O-N 3.2Å; I6-A9 PolarHBondContact O-N 3.05Å; L7-A9 VanDerWaalsContact C-N 3.31Å; L7-A9 PolarHBondContact O-N 3.16Å
10A89.7Confident81.8Confident42 Ų4273.4 Ų73.435%0.34741%0.407SS..Hα-helixtrans-77.8-38.3-178.700000112.8I6 L7 V46 L71I6-A10 WeakPolarHBondContact O-CB 3.47Å; I6-A10 PolarHBondContact O-N 2.9Å; L7-A10 PolarHBondContact O-N 2.97Å; A10-V46 HydrophobicContact CB-CG1 3.56Å; A10-V46 HydrophobicContact CB-CG2 4.26Å; A10-L71 HydrophobicContact CB-CD2 4.35Å; A10-L71 WeakPolarHBondContact O-CD2 3.18Å
11S87.9Confident80.7Confident1 Ų179.4 Ų79.41%0.00742%0.424CS..  trans-125.6126.5-174172.10000111.9L7 Y13 F14 S15 L69L7-S11 PolarHBondContact O-N 3.37Å; S11-Y13 PolarHBondContact O-N 3Å; S11-Y13 WeakPolarHBondContact OG-CB 3.1Å; S11-Y13 PolarHBondContact OG-N 3.38Å; S11-Y13 VanDerWaalsContact OG-N 3.15Å; S11-F14 PolarHBondContact O-N 3.49Å; S11-F14 PolarHBondContact OG-N 3.41Å; S11-S15 PolarHBondContact O-N 3.25Å; S11-S15 VanDerWaalsContact O-N 3.08Å; S11-L69 WeakPolarHBondContact CB-O 3.48Å; S11-L69 PolarHBondContact OG-O 2.79Å
12P87.8Confident80.9Confident74 Ų7474 Ų7448%0.48139%0.392SS..Hα-helixtrans-56.5-33.2169.3-2433.1000113.2S15 T16 H70P12-S15 PolarHBondContact O-N 2.69Å; P12-T16 WeakPolarHBondContact O-CG2 3.42Å; P12-T16 PolarHBondContact O-N 3.31Å; P12-T16 PolarHBondContact O-OG1 3.35Å; P12-H70 HydrophobicContact CG-CB 4.2Å
13Y86.8Confident80.5Confident28 Ų2869.8 Ų69.811%0.1139%0.39CS..Hα-helixtrans-60.1-51.8176.4173.7-92.1000110.6S11 S15 T16 A17 W22 L31 F68 L69S11-Y13 PolarHBondContact O-N 3Å; S11-Y13 WeakPolarHBondContact OG-CB 3.1Å; S11-Y13 PolarHBondContact OG-N 3.38Å; S11-Y13 VanDerWaalsContact OG-N 3.15Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.91Å; Y13-T16 PolarHBondContact O-N 3.41Å; Y13-T16 PolarHBondContact O-OG1 3.07Å; Y13-A17 HydrophobicContact CE1-CB 4.48Å; Y13-A17 WeakPolarHBondContact O-CB 3.44Å; Y13-A17 PolarHBondContact O-N 3.34Å; Y13-W22 HydrophobicContact CE2-CH2 4.24Å; Y13-W22 HydrophobicContact CE2-CZ2 4.47Å; Y13-L31 HydrophobicContact CE1-CD1 3.8Å; Y13-L31 HydrophobicContact CE1-CG 4.4Å; Y13-F68 HydrophobicContact CD2-CE1 4.02Å; Y13-F68 HydrophobicContact CD2-CZ 4.29Å; Y13-F68 HydrophobicContact CE1-CE1 4.32Å; Y13-F68 AromaticContact CE2-CE1 3.59Å; Y13-F68 HydrophobicContact CE2-CE1 3.59Å; Y13-F68 AromaticContact CE2-CZ 3.68Å; Y13-F68 HydrophobicContact CE2-CZ 3.68Å; Y13-F68 AromaticContact CZ-CE1 3.76Å; Y13-L69 HydrophobicContact CD1-CD2 3.41Å; Y13-L69 VanDerWaalsContact CD1-CD2 3.41Å; Y13-L69 HydrophobicContact CE1-CD2 4Å; Y13-L69 HydrophobicContact CG-CD2 3.91Å
14F85.6Confident79.3Confident4 Ų475.3 Ų75.32%0.01841%0.408CS..Hα-helixtrans-67.2-32178.5-67.8-53.1000112.8L7 S11 T16 A17 F18 M42 L69L7-F14 HydrophobicContact CB-CB 4.06Å; L7-F14 HydrophobicContact CB-CD2 3.84Å; L7-F14 HydrophobicContact CB-CG 4Å; L7-F14 HydrophobicContact CD2-CD2 3.97Å; L7-F14 HydrophobicContact CD2-CE2 3.9Å; L7-F14 HydrophobicContact CG-CD2 4.4Å; L7-F14 WeakPolarHBondContact O-CB 3.27Å; S11-F14 PolarHBondContact O-N 3.49Å; S11-F14 PolarHBondContact OG-N 3.41Å; F14-T16 VanDerWaalsContact C-N 3.29Å; F14-T16 PolarHBondContact O-N 2.99Å; F14-A17 PolarHBondContact O-N 3.35Å; F14-F18 HydrophobicContact CB-CD2 4.2Å; F14-F18 HydrophobicContact CB-CE2 3.81Å; F14-F18 HydrophobicContact CB-CZ 4.41Å; F14-F18 HydrophobicContact CD1-CE2 4.41Å; F14-F18 HydrophobicContact CD1-CZ 4.18Å; F14-F18 HydrophobicContact CG-CE2 4.36Å; F14-F18 WeakPolarHBondContact O-CB 3.45Å; F14-F18 WeakPolarHBondContact O-CD2 3.39Å; F14-F18 VanDerWaalsContact O-CG 3.29Å; F14-F18 WeakPolarHBondContact O-CG 3.44Å; F14-F18 PolarHBondContact O-N 3.07Å; F14-M42 HydrophobicContact CE2-CE 4.5Å; F14-M42 HydrophobicContact CZ-CE 4.45Å; F14-L69 HydrophobicContact CE1-CD2 4.31Å; F14-L69 HydrophobicContact CE2-CD1 4.16Å; F14-L69 HydrophobicContact CE2-CD2 3.85Å; F14-L69 HydrophobicContact CZ-CD1 4.27Å; F14-L69 HydrophobicContact CZ-CD2 3.68Å
15S86.1Confident78.1Confident63 Ų6373.7 Ų73.744%0.44141%0.412SS..Hα-helixtrans-61.3-38.9173.5-173.90000112.3S11 P12 Y13 S19S11-S15 PolarHBondContact O-N 3.25Å; S11-S15 VanDerWaalsContact O-N 3.08Å; P12-S15 PolarHBondContact O-N 2.69Å; Y13-S15 VanDerWaalsContact C-N 3.31Å; Y13-S15 PolarHBondContact O-N 2.91Å; S15-S19 PolarHBondContact O-N 3.07Å
16T85.2Confident76.6Confident68 Ų6872 Ų7242%0.41740%0.401SS..Hα-helixtrans-76.7-42.1176.857.10000111.3P12 Y13 F14 F18 S19P12-T16 WeakPolarHBondContact O-CG2 3.42Å; P12-T16 PolarHBondContact O-N 3.31Å; P12-T16 PolarHBondContact O-OG1 3.35Å; Y13-T16 PolarHBondContact O-N 3.41Å; Y13-T16 PolarHBondContact O-OG1 3.07Å; F14-T16 VanDerWaalsContact C-N 3.29Å; F14-T16 PolarHBondContact O-N 2.99Å; T16-F18 VanDerWaalsContact C-N 3.3Å; T16-F18 PolarHBondContact O-N 2.88Å; T16-S19 WeakPolarHBondContact O-CB 3.43Å; T16-S19 PolarHBondContact O-N 3.06Å; T16-S19 VanDerWaalsContact O-N 3.08Å; T16-S19 PolarHBondContact O-OG 3.46Å
17A80.9Confident74.9Confident10 Ų1072.9 Ų72.98%0.08343%0.427CS..Hα-helixtrans-61-34.8177.700000113.4Y13 F14 W22Y13-A17 HydrophobicContact CE1-CB 4.48Å; Y13-A17 WeakPolarHBondContact O-CB 3.44Å; Y13-A17 PolarHBondContact O-N 3.34Å; F14-A17 PolarHBondContact O-N 3.35Å; A17-W22 HydrophobicContact CB-CD2 4.28Å; A17-W22 HydrophobicContact CB-CE3 4.27Å; A17-W22 VanDerWaalsContact O-CB 3.32Å; A17-W22 WeakPolarHBondContact O-CB 3.35Å
18F80.1Confident73.2Confident71 Ų7179.4 Ų79.431%0.31146%0.457SS..THydrogen-bonded Turntrans-89.1-4.9176.6-59.3-35.4000114.1R4 L7 A8 F14 T16R4-F18 HydrophobicContact CB-CD2 4.16Å; R4-F18 HydrophobicContact CB-CE2 4.11Å; R4-F18 HydrophobicContact CG-CE2 4.28Å; R4-F18 HydrophobicContact CG-CZ 4.28Å; L7-F18 HydrophobicContact CB-CE2 3.93Å; L7-F18 HydrophobicContact CD1-CE2 4.49Å; L7-F18 HydrophobicContact CD1-CZ 4.36Å; A8-F18 HydrophobicContact CB-CD2 4.17Å; F14-F18 HydrophobicContact CB-CD2 4.2Å; F14-F18 HydrophobicContact CB-CE2 3.81Å; F14-F18 HydrophobicContact CB-CZ 4.41Å; F14-F18 HydrophobicContact CD1-CE2 4.41Å; F14-F18 HydrophobicContact CD1-CZ 4.18Å; F14-F18 HydrophobicContact CG-CE2 4.36Å; F14-F18 WeakPolarHBondContact O-CB 3.45Å; F14-F18 WeakPolarHBondContact O-CD2 3.39Å; F14-F18 VanDerWaalsContact O-CG 3.29Å; F14-F18 WeakPolarHBondContact O-CG 3.44Å; F14-F18 PolarHBondContact O-N 3.07Å; T16-F18 VanDerWaalsContact C-N 3.3Å; T16-F18 PolarHBondContact O-N 2.88Å
19S79.9Confident71.5Confident48 Ų4883 Ų8334%0.33648%0.479SS..SBendtrans-69.8140.6170.676.50000109.5S15 T16 R21 W22S15-S19 PolarHBondContact O-N 3.07Å; T16-S19 WeakPolarHBondContact O-CB 3.43Å; T16-S19 PolarHBondContact O-N 3.06Å; T16-S19 VanDerWaalsContact O-N 3.08Å; T16-S19 PolarHBondContact O-OG 3.46Å; S19-R21 PolarHBondContact O-N 3.05Å; S19-W22 PolarHBondContact O-N 3.41Å
20E64.5Low70.1Confident177 Ų17782.6 Ų82.683%0.82746%0.463SS*.Hα-helixtrans-54.7-16.8-174.1-65.4175.8171.200113.7
21R58.7Low68.7Low200 Ų20082.7 Ų82.776%0.75546%0.457SS*.Hα-helixtrans-75.4-22.2178.1-61.3-176.6178-166.7-1.1114.9S19 N25S19-R21 PolarHBondContact O-N 3.05Å; R21-N25 PolarHBondContact O-ND2 3.37Å
22W60.4Low67.4Low83 Ų8388.7 Ų88.731%0.31449%0.489SS..Hα-helixtrans-80.1-35.8179-109.174000112Y13 A17 S19 E24 N25 S26Y13-W22 HydrophobicContact CE2-CH2 4.24Å; Y13-W22 HydrophobicContact CE2-CZ2 4.47Å; A17-W22 HydrophobicContact CB-CD2 4.28Å; A17-W22 HydrophobicContact CB-CE3 4.27Å; A17-W22 VanDerWaalsContact O-CB 3.32Å; A17-W22 WeakPolarHBondContact O-CB 3.35Å; S19-W22 PolarHBondContact O-N 3.41Å; W22-E24 PolarHBondContact O-N 3.45Å; W22-N25 PolarHBondContact O-N 3.49Å; W22-S26 PolarHBondContact O-N 3.14Å; W22-S26 PolarHBondContact O-OG 3.25Å
23A56Low66.1Low88 Ų8888.7 Ų88.773%0.72749%0.485SS*.Hα-helixtrans-63.7-26.8179.200000113.2
24E55.9Low64.6Low165 Ų16590.6 Ų90.677%0.77150%0.502SS*.THydrogen-bonded Turntrans-86.5-21.2179.6-67.3-179.3165.900113.6W22W22-E24 PolarHBondContact O-N 3.45Å
25N55.5Low63.3Low140 Ų14095.9 Ų95.975%0.74955%0.546SS*.THydrogen-bonded Turntrans-117.9-16.2-169.1-70.6-46.7000115.3R21 W22R21-N25 PolarHBondContact O-ND2 3.37Å; W22-N25 PolarHBondContact O-N 3.49Å
26S54.1Low63Low41 Ų4196.1 Ų96.129%0.28754%0.543SS..  trans-111.1101.4-178.560.40000110.6W22 E28W22-S26 PolarHBondContact O-N 3.14Å; W22-S26 PolarHBondContact O-OG 3.25Å; S26-E28 PolarHBondContact O-N 3.48Å
27G52.5Low63.1Low88 Ų8897.6 Ų97.691%0.90755%0.545SS*.  trans-76.43.6161.800000112.7
28E52.2Low63.6Low158 Ų15897.3 Ų97.374%0.73854%0.542SS*.SBendtrans-91.1136.8177.9-65.8-163.8161.200110.3S26 I30S26-E28 PolarHBondContact O-N 3.48Å; E28-I30 PolarHBondContact O-N 2.95Å
29P52.4Low64Low104 Ų10494.9 Ų94.968%0.67553%0.533SS*.  trans-56.2128.6177.123.5-31.8000109.5L31P29-L31 PolarHBondContact O-N 2.85Å
30I60.6Low64.5Low81 Ų8198.5 Ų98.542%0.41555%0.545SS..SBendtrans-42.6110.9155.3-62.5164.9000104.3E28E28-I30 PolarHBondContact O-N 2.95Å
31L60.4Low65.8Low44 Ų4490.4 Ų90.423%0.2351%0.507CS..  trans12.9124.5-175.9-82.2158.4000114Y13 P29 L33 F68 L69Y13-L31 HydrophobicContact CE1-CD1 3.8Å; Y13-L31 HydrophobicContact CE1-CG 4.4Å; P29-L31 PolarHBondContact O-N 2.85Å; L31-L33 HydrophobicContact CB-CD2 3.98Å; L31-L33 HydrophobicContact CB-CG 4.22Å; L31-L33 VanDerWaalsContact O-CG 3.31Å; L31-L33 WeakPolarHBondContact O-CG 2.98Å; L31-L33 PolarHBondContact O-N 2.95Å; L31-F68 HydrophobicContact CD1-CD1 4.06Å; L31-F68 HydrophobicContact CD1-CE1 3.7Å; L31-F68 HydrophobicContact CD2-CD1 4.05Å; L31-F68 HydrophobicContact CD2-CE1 3.59Å; L31-F68 HydrophobicContact CD2-CZ 4.26Å; L31-F68 HydrophobicContact CG-CD1 4.47Å; L31-F68 HydrophobicContact CG-CE1 3.79Å; L31-L69 HydrophobicContact CD1-CD2 3.66Å
32D60Low67.4Low128 Ų12880.9 Ų80.968%0.68447%0.471SS*.  trans-61.686.6169.7-172.215.4000110.2S34D32-S34 PolarHBondContact O-N 3.36Å; D32-S34 WeakPolarHBondContact OD1-CB 3.23Å; D32-S34 PolarHBondContact OD1-N 2.72Å
33L59.9Low68.8Low74 Ų7479.6 Ų79.639%0.38747%0.47SS..  trans-76.530.5177.8-62.1174.4000108.6L31 A35 V39L31-L33 HydrophobicContact CB-CD2 3.98Å; L31-L33 HydrophobicContact CB-CG 4.22Å; L31-L33 VanDerWaalsContact O-CG 3.31Å; L31-L33 WeakPolarHBondContact O-CG 2.98Å; L31-L33 PolarHBondContact O-N 2.95Å; L33-A35 PolarHBondContact O-N 3.2Å; L33-V39 HydrophobicContact CB-CG1 4.17Å; L33-V39 HydrophobicContact CD2-CG1 3.57Å; L33-V39 HydrophobicContact CD2-CG2 4.28Å; L33-V39 HydrophobicContact CG-CG1 4.38Å
34S54.9Low70.4Confident68 Ų6879 Ų7948%0.47645%0.454SS..  trans-48.8138.1166.457.90000107.8D32 N36D32-S34 PolarHBondContact O-N 3.36Å; D32-S34 WeakPolarHBondContact OD1-CB 3.23Å; D32-S34 PolarHBondContact OD1-N 2.72Å; S34-N36 PolarHBondContact O-N 2.79Å
35A58.4Low72.2Confident114 Ų11472 Ų7294%0.94242%0.421SS*.SBendtrans-59.373.6-163.400000113.5L33L33-A35 PolarHBondContact O-N 3.2Å
36N80.1Confident73.9Confident68 Ų6866.5 Ų66.536%0.36439%0.392SS..  trans-93.5132.1171.9-169.4-32.2000106.7S34 V38 V39 E40 E61S34-N36 PolarHBondContact O-N 2.79Å; N36-V38 PolarHBondContact O-N 3.44Å; N36-V38 WeakPolarHBondContact OD1-CG2 3.45Å; N36-V38 PolarHBondContact OD1-N 3.43Å; N36-V39 HydrophobicContact CB-CG2 4.39Å; N36-V39 WeakPolarHBondContact O-CB 3.24Å; N36-V39 PolarHBondContact O-N 3.31Å; N36-E40 PolarHBondContact O-N 2.93Å; N36-E40 VanDerWaalsContact O-N 3.17Å; N36-E61 PolarHBondContact ND2-OE2 3.35Å
37E88.1Confident75.6Confident100 Ų10069.4 Ų69.447%0.46740%0.398SS..Hα-helixtrans-52.8-30-179.5-61.3171.6161.900111.5F41 A56 V57E37-F41 WeakPolarHBondContact O-CB 3.2Å; E37-F41 PolarHBondContact O-N 2.9Å; E37-A56 WeakPolarHBondContact OE2-CB 3.32Å; E37-A56 VanDerWaalsContact OE2-O 3.11Å; E37-V57 HydrophobicContact CB-CG2 4.32Å
38V90.5Very high77.3Confident4 Ų467.9 Ų67.92%0.02438%0.382CS..Hα-helixtrans-62.5-43.5174.5-178.90000112.4N36 M42 V57 E61 L62 L65N36-V38 PolarHBondContact O-N 3.44Å; N36-V38 WeakPolarHBondContact OD1-CG2 3.45Å; N36-V38 PolarHBondContact OD1-N 3.43Å; V38-M42 WeakPolarHBondContact O-CB 3.42Å; V38-M42 PolarHBondContact O-N 2.87Å; V38-V57 HydrophobicContact CB-CG1 4.45Å; V38-V57 HydrophobicContact CG2-CG1 3.96Å; V38-E61 HydrophobicContact CG1-CB 4.49Å; V38-E61 HydrophobicContact CG2-CB 3.95Å; V38-L62 VanDerWaalsContact CG1-CA 3.5Å; V38-L62 HydrophobicContact CG1-CB 3.97Å; V38-L62 HydrophobicContact CG1-CD1 3.87Å; V38-L65 HydrophobicContact CG1-CB 4.38Å; V38-L65 HydrophobicContact CG1-CD2 3.82Å
39V89.2Confident79.1Confident19 Ų1962.7 Ų62.712%0.11537%0.371CS..Hα-helixtrans-71.4-42.1-179.9174.40000110.2L33 N36 F41 M42 L43 L65L33-V39 HydrophobicContact CB-CG1 4.17Å; L33-V39 HydrophobicContact CD2-CG1 3.57Å; L33-V39 HydrophobicContact CD2-CG2 4.28Å; L33-V39 HydrophobicContact CG-CG1 4.38Å; N36-V39 HydrophobicContact CB-CG2 4.39Å; N36-V39 WeakPolarHBondContact O-CB 3.24Å; N36-V39 PolarHBondContact O-N 3.31Å; V39-F41 VanDerWaalsContact C-N 3.34Å; V39-F41 PolarHBondContact O-N 2.69Å; V39-M42 HydrophobicContact CG1-CE 4.4Å; V39-M42 PolarHBondContact O-N 3.5Å; V39-L43 HydrophobicContact CG1-CD1 4.38Å; V39-L43 WeakPolarHBondContact O-CG 3.46Å; V39-L43 PolarHBondContact O-N 2.95Å; V39-L65 HydrophobicContact CG2-CD2 4.1Å
40E89.2Confident80.9Confident125 Ų12560.5 Ų60.558%0.58436%0.355SS*.Hα-helixtrans-58.4-47.7174.7-176.1174.5-177.100110.8N36 M42 L43 I44N36-E40 PolarHBondContact O-N 2.93Å; N36-E40 VanDerWaalsContact O-N 3.17Å; E40-M42 PolarHBondContact O-N 3.37Å; E40-L43 PolarHBondContact O-N 3.36Å; E40-I44 HydrophobicContact CG-CD1 4.03Å; E40-I44 WeakPolarHBondContact O-CG1 3.21Å; E40-I44 PolarHBondContact O-N 2.94Å
41F92.1Very high82.4Confident7 Ų761.8 Ų61.83%0.03136%0.362CS..Hα-helixtrans-62-42.8176.2-177.5-102.5000112.5E37 V39 L43 I44 F45 D52 V53 P54 V57 L62 L74 L77E37-F41 WeakPolarHBondContact O-CB 3.2Å; E37-F41 PolarHBondContact O-N 2.9Å; V39-F41 VanDerWaalsContact C-N 3.34Å; V39-F41 PolarHBondContact O-N 2.69Å; F41-L43 VanDerWaalsContact C-N 3.31Å; F41-L43 PolarHBondContact O-N 2.62Å; F41-I44 PolarHBondContact O-N 3.14Å; F41-F45 WeakPolarHBondContact O-CB 3.34Å; F41-F45 PolarHBondContact O-N 2.96Å; F41-D52 WeakPolarHBondContact CE2-O 3.48Å; F41-V53 HydrophobicContact CD1-CG1 4.41Å; F41-V53 HydrophobicContact CE1-CB 4.41Å; F41-V53 HydrophobicContact CE1-CG1 4.23Å; F41-V53 HydrophobicContact CE1-CG2 3.71Å; F41-V53 HydrophobicContact CE2-CB 4.44Å; F41-V53 HydrophobicContact CE2-CG2 4.29Å; F41-V53 HydrophobicContact CZ-CB 4.12Å; F41-V53 HydrophobicContact CZ-CG1 4.34Å; F41-V53 HydrophobicContact CZ-CG2 3.52Å; F41-P54 VanDerWaalsContact CD2-CD 3.47Å; F41-P54 HydrophobicContact CD2-CG 4.33Å; F41-V57 HydrophobicContact CB-CG2 4.02Å; F41-V57 HydrophobicContact CG-CG2 4.41Å; F41-L62 HydrophobicContact CD1-CD1 3.9Å; F41-L62 HydrophobicContact CD1-CD2 3.8Å; F41-L62 HydrophobicContact CE1-CD2 3.86Å; F41-L74 HydrophobicContact CD1-CD1 4.45Å; F41-L74 HydrophobicContact CE1-CD1 3.92Å; F41-L77 HydrophobicContact CE1-CD2 4.34Å; F41-L77 HydrophobicContact CZ-CD2 4.26Å
42M92.1Very high83.9Confident0 Ų066.1 Ų66.10%039%0.386CS..Hα-helixtrans-57.9-43.4175.5178.3-79.2-64.400111.7F14 V38 V39 E40 F45 V46 L65 L69 L71 L74F14-M42 HydrophobicContact CE2-CE 4.5Å; F14-M42 HydrophobicContact CZ-CE 4.45Å; V38-M42 WeakPolarHBondContact O-CB 3.42Å; V38-M42 PolarHBondContact O-N 2.87Å; V39-M42 HydrophobicContact CG1-CE 4.4Å; V39-M42 PolarHBondContact O-N 3.5Å; E40-M42 PolarHBondContact O-N 3.37Å; M42-F45 WeakPolarHBondContact O-CB 3.45Å; M42-F45 PolarHBondContact O-N 2.82Å; M42-V46 WeakPolarHBondContact O-CG2 3.12Å; M42-V46 PolarHBondContact O-N 3.43Å; M42-V46 HydrophobicContact SD-CG2 3.91Å; M42-L65 HydrophobicContact CB-CD2 4.17Å; M42-L65 HydrophobicContact CG-CD2 4.38Å; M42-L69 HydrophobicContact CE-CD1 3.86Å; M42-L69 HydrophobicContact CG-CD1 4.06Å; M42-L69 HydrophobicContact SD-CD1 4.02Å; M42-L71 HydrophobicContact CG-CD1 3.95Å; M42-L71 HydrophobicContact SD-CD1 4.16Å; M42-L74 HydrophobicContact CB-CD2 4.06Å; M42-L74 HydrophobicContact CG-CD2 3.75Å
43L89.8Confident85.4Confident56 Ų5660.7 Ų60.729%0.29336%0.357SS..Hα-helixtrans-63.9-46.6176-67.4173000110.6L7 V39 E40 F41 F45 V46 Y47L7-L43 HydrophobicContact CD2-CD2 3.91Å; V39-L43 HydrophobicContact CG1-CD1 4.38Å; V39-L43 WeakPolarHBondContact O-CG 3.46Å; V39-L43 PolarHBondContact O-N 2.95Å; E40-L43 PolarHBondContact O-N 3.36Å; F41-L43 VanDerWaalsContact C-N 3.31Å; F41-L43 PolarHBondContact O-N 2.62Å; L43-F45 VanDerWaalsContact C-N 3.26Å; L43-F45 PolarHBondContact O-N 2.99Å; L43-V46 PolarHBondContact O-N 2.88Å; L43-V46 VanDerWaalsContact O-N 3.14Å; L43-Y47 HydrophobicContact CB-CD2 4.42Å; L43-Y47 HydrophobicContact CD2-CE2 4.1Å; L43-Y47 WeakPolarHBondContact O-CB 3.44Å; L43-Y47 VanDerWaalsContact O-CD2 3.23Å; L43-Y47 WeakPolarHBondContact O-CD2 3.39Å; L43-Y47 PolarHBondContact O-N 3.41Å
44I91Very high86.9Confident75 Ų7560.4 Ų60.439%0.38536%0.36SS..Hα-helixtrans-59.6-39.3177.3-65.6167.4000111.2E40 F41 G48 V50E40-I44 HydrophobicContact CG-CD1 4.03Å; E40-I44 WeakPolarHBondContact O-CG1 3.21Å; E40-I44 PolarHBondContact O-N 2.94Å; F41-I44 PolarHBondContact O-N 3.14Å; I44-G48 WeakPolarHBondContact O-CA 3.42Å; I44-G48 PolarHBondContact O-N 3.39Å; I44-V50 HydrophobicContact CG2-CB 3.83Å; I44-V50 HydrophobicContact CG2-CG1 4.46Å; I44-V50 HydrophobicContact CG2-CG2 3.52Å
45F92.6Very high88.5Confident18 Ų1864.8 Ų64.88%0.07938%0.378CS..Hα-helixtrans-61.3-48173.7175.8-91.5000111.7F41 M42 L43 G49 V50 L51 M73 L74 L77F41-F45 WeakPolarHBondContact O-CB 3.34Å; F41-F45 PolarHBondContact O-N 2.96Å; M42-F45 WeakPolarHBondContact O-CB 3.45Å; M42-F45 PolarHBondContact O-N 2.82Å; L43-F45 VanDerWaalsContact C-N 3.26Å; L43-F45 PolarHBondContact O-N 2.99Å; F45-G49 WeakPolarHBondContact O-CA 3.42Å; F45-G49 PolarHBondContact O-N 2.97Å; F45-V50 WeakPolarHBondContact CD2-O 3.17Å; F45-L51 HydrophobicContact CD2-CD2 4.31Å; F45-L51 HydrophobicContact CE2-CD2 3.75Å; F45-M73 HydrophobicContact CZ-CB 3.85Å; F45-M73 HydrophobicContact CZ-CE 4.27Å; F45-L74 HydrophobicContact CB-CD1 4.28Å; F45-L74 HydrophobicContact CD1-CB 4.14Å; F45-L74 HydrophobicContact CD1-CD1 4.07Å; F45-L74 HydrophobicContact CD1-CD2 4.3Å; F45-L74 HydrophobicContact CD1-CG 4.42Å; F45-L74 HydrophobicContact CD2-CD1 3.9Å; F45-L74 HydrophobicContact CE1-CB 3.85Å; F45-L74 HydrophobicContact CE1-CD1 4.42Å; F45-L74 HydrophobicContact CE2-CD1 4.25Å; F45-L74 HydrophobicContact CG-CD1 3.82Å; F45-L74 HydrophobicContact CZ-CB 4.15Å; F45-L77 HydrophobicContact CD2-CD2 4.04Å; F45-L77 HydrophobicContact CE2-CD2 3.99Å
46V91.5Very high89.9Confident25 Ų2562.4 Ų62.415%0.15236%0.358CS..Hα-helixtrans-68.5-40.2-178.4170.50000112.5I6 L7 A10 M42 L43 L71I6-V46 HydrophobicContact CG2-CG1 3.86Å; L7-V46 HydrophobicContact CD2-CG1 4.17Å; A10-V46 HydrophobicContact CB-CG1 3.56Å; A10-V46 HydrophobicContact CB-CG2 4.26Å; M42-V46 WeakPolarHBondContact O-CG2 3.12Å; M42-V46 PolarHBondContact O-N 3.43Å; M42-V46 HydrophobicContact SD-CG2 3.91Å; L43-V46 PolarHBondContact O-N 2.88Å; L43-V46 VanDerWaalsContact O-N 3.14Å; V46-L71 HydrophobicContact CG2-CD1 4.09Å
47Y90.4Very high90.4Very high102 Ų10259.7 Ų59.740%0.434%0.344SS..Hα-helixtrans-84.5-31.8-177.4-77.8-86.5000113.5A3 I6 L7 L43A3-Y47 WeakPolarHBondContact CA-OH 3.47Å; A3-Y47 HydrophobicContact CB-CE1 4.48Å; A3-Y47 WeakPolarHBondContact CB-OH 3.42Å; A3-Y47 PolarHBondContact O-OH 2.88Å; A3-Y47 VanDerWaalsContact O-OH 3.08Å; I6-Y47 HydrophobicContact CB-CE1 4.1Å; I6-Y47 HydrophobicContact CD1-CD1 3.83Å; I6-Y47 HydrophobicContact CD1-CE1 3.65Å; I6-Y47 HydrophobicContact CG1-CE1 4.48Å; I6-Y47 HydrophobicContact CG2-CD1 4.12Å; I6-Y47 HydrophobicContact CG2-CE1 4.05Å; L7-Y47 HydrophobicContact CD2-CE2 4.21Å; L7-Y47 HydrophobicContact CG-CE2 4.36Å; L43-Y47 HydrophobicContact CB-CD2 4.42Å; L43-Y47 HydrophobicContact CD2-CE2 4.1Å; L43-Y47 WeakPolarHBondContact O-CB 3.44Å; L43-Y47 VanDerWaalsContact O-CD2 3.23Å; L43-Y47 WeakPolarHBondContact O-CD2 3.39Å; L43-Y47 PolarHBondContact O-N 3.41Å
48G88.4Confident90.5Very high56 Ų5658 Ų5858%0.57734%0.338SS*.Hα-helixtrans-118.4-11.6-171.400000115.5I44 V50I44-G48 WeakPolarHBondContact O-CA 3.42Å; I44-G48 PolarHBondContact O-N 3.39Å; G48-V50 PolarHBondContact O-N 2.93Å
49G89.6Confident90.5Very high49 Ų4958.4 Ų58.451%0.50534%0.34SS..  trans63.426.6-175.100000113.4F45 L51F45-G49 WeakPolarHBondContact O-CA 3.42Å; F45-G49 PolarHBondContact O-N 2.97Å; G49-L51 PolarHBondContact O-N 3.39Å
50V91.2Very high90.5Very high58 Ų5857.9 Ų57.935%0.35234%0.336SS..  trans-71125.1-179.5-179.50000109.5I44 F45 G48 D52I44-V50 HydrophobicContact CG2-CB 3.83Å; I44-V50 HydrophobicContact CG2-CG1 4.46Å; I44-V50 HydrophobicContact CG2-CG2 3.52Å; F45-V50 WeakPolarHBondContact CD2-O 3.17Å; G48-V50 PolarHBondContact O-N 2.93Å; V50-D52 HydrophobicContact CG1-CB 4.4Å
51L92.1Very high90.5Very high107 Ų10756 Ų5656%0.5633%0.327SS*.  trans-100.3-12.3-179.9-56.1-179.2000113.2F45 G49 V53 L77F45-L51 HydrophobicContact CD2-CD2 4.31Å; F45-L51 HydrophobicContact CE2-CD2 3.75Å; G49-L51 PolarHBondContact O-N 3.39Å; L51-V53 PolarHBondContact O-N 3.21Å; L51-L77 HydrophobicContact CB-CD1 4.31Å; L51-L77 HydrophobicContact CB-CD2 4.49Å; L51-L77 HydrophobicContact CD2-CD2 4.14Å
52D91.5Very high90.5Very high135 Ų13555.6 Ų55.672%0.72233%0.326SS*.  trans-82.6104.4-177.2-162.19.1000109.7F41 V50 P54F41-D52 WeakPolarHBondContact CE2-O 3.48Å; V50-D52 HydrophobicContact CG1-CB 4.4Å; D52-P54 WeakPolarHBondContact O-CD 3.4Å
53V90.9Very high90.5Very high14 Ų1455.9 Ų55.99%0.08533%0.327CS..  trans-84122.4-175.4-172.10000109.8F41 L51 V57 L59 L62 L77 E81F41-V53 HydrophobicContact CD1-CG1 4.41Å; F41-V53 HydrophobicContact CE1-CB 4.41Å; F41-V53 HydrophobicContact CE1-CG1 4.23Å; F41-V53 HydrophobicContact CE1-CG2 3.71Å; F41-V53 HydrophobicContact CE2-CB 4.44Å; F41-V53 HydrophobicContact CE2-CG2 4.29Å; F41-V53 HydrophobicContact CZ-CB 4.12Å; F41-V53 HydrophobicContact CZ-CG1 4.34Å; F41-V53 HydrophobicContact CZ-CG2 3.52Å; L51-V53 PolarHBondContact O-N 3.21Å; V53-V57 HydrophobicContact CG1-CB 3.88Å; V53-V57 HydrophobicContact CG1-CG1 4.12Å; V53-V57 HydrophobicContact CG1-CG2 4.35Å; V53-L59 HydrophobicContact CB-CD2 4.39Å; V53-L59 HydrophobicContact CG1-CD2 3.73Å; V53-L62 HydrophobicContact CG1-CD2 4.35Å; V53-L77 HydrophobicContact CG2-CD2 4.1Å; V53-L77 HydrophobicContact CG2-CG 4.24Å; V53-E81 HydrophobicContact CB-CG 4.27Å; V53-E81 HydrophobicContact CG2-CG 3.69Å
54P91.6Very high90.4Very high69 Ų6959 Ų5945%0.44834%0.335SS..  trans-62.8142.5175.7-2132000112.5F41 D52 A56 V57F41-P54 VanDerWaalsContact CD2-CD 3.47Å; F41-P54 HydrophobicContact CD2-CG 4.33Å; D52-P54 WeakPolarHBondContact O-CD 3.4Å; P54-A56 PolarHBondContact O-N 3.05Å; P54-V57 HydrophobicContact CB-CG2 4.29Å; P54-V57 HydrophobicContact CG-CG2 4.37Å; P54-V57 WeakPolarHBondContact O-CB 3.37Å; P54-V57 PolarHBondContact O-N 3.24Å
55D87.7Confident90.4Very high160 Ų16056.5 Ų56.586%0.85632%0.322SS*.THydrogen-bonded Turntrans-56.8-21.1-179.9-70.6-36000114.7V57D55-V57 VanDerWaalsContact C-N 3.34Å
56A88.7Confident90.3Very high63 Ų6355.7 Ų55.752%0.52132%0.319SS..THydrogen-bonded Turntrans-74.2-26179.600000112.4E37 P54 N58E37-A56 WeakPolarHBondContact OE2-CB 3.32Å; E37-A56 VanDerWaalsContact OE2-O 3.11Å; P54-A56 PolarHBondContact O-N 3.05Å; A56-N58 PolarHBondContact O-N 3.13Å
57V90Very high90.2Very high11 Ų1157.4 Ų57.47%0.06733%0.327CS..SBendtrans-73.3122.5-176.11800000110.7E37 V38 F41 V53 P54 D55 L59 L62E37-V57 HydrophobicContact CB-CG2 4.32Å; V38-V57 HydrophobicContact CB-CG1 4.45Å; V38-V57 HydrophobicContact CG2-CG1 3.96Å; F41-V57 HydrophobicContact CB-CG2 4.02Å; F41-V57 HydrophobicContact CG-CG2 4.41Å; V53-V57 HydrophobicContact CG1-CB 3.88Å; V53-V57 HydrophobicContact CG1-CG1 4.12Å; V53-V57 HydrophobicContact CG1-CG2 4.35Å; P54-V57 HydrophobicContact CB-CG2 4.29Å; P54-V57 HydrophobicContact CG-CG2 4.37Å; P54-V57 WeakPolarHBondContact O-CB 3.37Å; P54-V57 PolarHBondContact O-N 3.24Å; D55-V57 VanDerWaalsContact C-N 3.34Å; V57-L59 PolarHBondContact O-N 2.83Å; V57-L59 VanDerWaalsContact O-N 3.11Å; V57-L62 HydrophobicContact CG1-CB 4.2Å; V57-L62 HydrophobicContact CG1-CD2 4.22Å
58N89.8Confident90.1Very high66 Ų6657.2 Ų57.235%0.35333%0.329SS..  trans-71106.8172-176.1-8.9000110.5A56 F60 E61 L62A56-N58 PolarHBondContact O-N 3.13Å; N58-F60 PolarHBondContact O-N 2.68Å; N58-F60 PolarHBondContact OD1-N 3.34Å; N58-F60 VanDerWaalsContact OD1-N 3.13Å; N58-E61 HydrophobicContact CB-CB 4.15Å; N58-E61 HydrophobicContact CB-CG 4.23Å; N58-E61 PolarHBondContact ND2-OE1 3.44Å; N58-E61 PolarHBondContact O-N 2.97Å; N58-E61 VanDerWaalsContact O-N 3.09Å; N58-L62 PolarHBondContact O-N 2.98Å
59L91.3Very high90.1Very high11 Ų1154.6 Ų54.66%0.05830%0.301CS..Hα-helixtrans-59.3-29.9-177.3-60.7178.4000113.6V53 V57 L62 H63 E81 I82 H86V53-L59 HydrophobicContact CB-CD2 4.39Å; V53-L59 HydrophobicContact CG1-CD2 3.73Å; V57-L59 PolarHBondContact O-N 2.83Å; V57-L59 VanDerWaalsContact O-N 3.11Å; L59-L62 HydrophobicContact CD2-CD2 4.42Å; L59-H63 WeakPolarHBondContact O-CB 3.37Å; L59-H63 PolarHBondContact O-N 2.8Å; L59-E81 HydrophobicContact CD1-CB 3.93Å; L59-E81 HydrophobicContact CD2-CB 4.12Å; L59-I82 HydrophobicContact CB-CD1 4.1Å; L59-I82 HydrophobicContact CB-CG1 3.84Å; L59-I82 HydrophobicContact CD1-CB 4.47Å; L59-I82 HydrophobicContact CD1-CG1 3.57Å; L59-I82 HydrophobicContact CG-CG1 4.36Å; L59-H86 WeakPolarHBondContact CD1-NE2 3.21Å
60F89.6Confident90.2Very high9 Ų957.2 Ų57.24%0.03930%0.3CS..Hα-helixtrans-71.6-39.7176.9-64.3-78.5000111.9N58 H63 R64 I82 Y100 H104 L107 F108 F113N58-F60 PolarHBondContact O-N 2.68Å; N58-F60 PolarHBondContact OD1-N 3.34Å; N58-F60 VanDerWaalsContact OD1-N 3.13Å; F60-H63 PolarHBondContact O-N 3.25Å; F60-R64 WeakPolarHBondContact O-CG 3.23Å; F60-R64 PolarHBondContact O-N 3.47Å; F60-I82 HydrophobicContact CE1-CD1 4.24Å; F60-I82 HydrophobicContact CZ-CD1 4.46Å; F60-Y100 VanDerWaalsContact CE2-OH 3.29Å; F60-Y100 WeakPolarHBondContact CE2-OH 3.32Å; F60-H104 HydrophobicContact CE2-CB 4.05Å; F60-H104 AromaticContact CE2-CD2 3.57Å; F60-H104 AromaticContact CE2-CG 3.72Å; F60-H104 HydrophobicContact CZ-CB 3.64Å; F60-H104 AromaticContact CZ-CG 3.85Å; F60-L107 HydrophobicContact CB-CD1 4.49Å; F60-L107 HydrophobicContact CD1-CB 4.05Å; F60-L107 HydrophobicContact CD1-CD1 3.86Å; F60-L107 HydrophobicContact CD2-CD1 3.69Å; F60-L107 HydrophobicContact CE1-CB 3.83Å; F60-L107 HydrophobicContact CE1-CD1 3.93Å; F60-L107 HydrophobicContact CE2-CD1 3.75Å; F60-L107 HydrophobicContact CG-CD1 3.75Å; F60-L107 HydrophobicContact CZ-CB 4.35Å; F60-L107 HydrophobicContact CZ-CD1 3.88Å; F60-F108 HydrophobicContact CE1-CD1 4Å; F60-F108 AromaticContact CE1-CE1 3.62Å; F60-F108 HydrophobicContact CE1-CE1 3.62Å; F60-F108 HydrophobicContact CZ-CD1 4.49Å; F60-F108 AromaticContact CZ-CE1 3.77Å; F60-F108 HydrophobicContact CZ-CE1 3.77Å; F60-F108 HydrophobicContact CZ-CZ 4.33Å; F60-F113 AromaticContact CD1-CE2 3.74Å; F60-F113 HydrophobicContact CD1-CE2 3.74Å; F60-F113 HydrophobicContact CD1-CZ 4.04Å; F60-F113 HydrophobicContact CE1-CE2 4.13Å; F60-F113 HydrophobicContact CE1-CZ 4.5Å
61E89.3Confident90.2Very high84 Ų8455 Ų5539%0.39329%0.287SS..Hα-helixtrans-68.2-40.1173.7-73.8173.8-14400110.9N36 V38 N58 H63 R64 L65N36-E61 PolarHBondContact ND2-OE2 3.35Å; V38-E61 HydrophobicContact CG1-CB 4.49Å; V38-E61 HydrophobicContact CG2-CB 3.95Å; N58-E61 HydrophobicContact CB-CB 4.15Å; N58-E61 HydrophobicContact CB-CG 4.23Å; N58-E61 PolarHBondContact ND2-OE1 3.44Å; N58-E61 PolarHBondContact O-N 2.97Å; N58-E61 VanDerWaalsContact O-N 3.09Å; E61-H63 VanDerWaalsContact C-N 3.34Å; E61-H63 PolarHBondContact O-N 2.96Å; E61-R64 PolarHBondContact O-N 3.06Å; E61-L65 WeakPolarHBondContact O-CB 3.3Å; E61-L65 PolarHBondContact O-N 2.84Å
62L91.5Very high90.2Very high0 Ų056.2 Ų56.20%029%0.289CS..Hα-helixtrans-59.1-45.4174-176.863.5000111.7V38 F41 V53 V57 N58 L59 L65 A66 L74 A78V38-L62 VanDerWaalsContact CG1-CA 3.5Å; V38-L62 HydrophobicContact CG1-CB 3.97Å; V38-L62 HydrophobicContact CG1-CD1 3.87Å; F41-L62 HydrophobicContact CD1-CD1 3.9Å; F41-L62 HydrophobicContact CD1-CD2 3.8Å; F41-L62 HydrophobicContact CE1-CD2 3.86Å; V53-L62 HydrophobicContact CG1-CD2 4.35Å; V57-L62 HydrophobicContact CG1-CB 4.2Å; V57-L62 HydrophobicContact CG1-CD2 4.22Å; N58-L62 PolarHBondContact O-N 2.98Å; L59-L62 HydrophobicContact CD2-CD2 4.42Å; L62-L65 PolarHBondContact O-N 3.28Å; L62-A66 VanDerWaalsContact O-CB 3.23Å; L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 3.41Å; L62-L74 HydrophobicContact CD1-CD1 4.06Å; L62-L74 HydrophobicContact CD1-CD2 3.93Å; L62-L74 HydrophobicContact CD1-CG 4.08Å; L62-L74 HydrophobicContact CD2-CD1 4.19Å; L62-L74 HydrophobicContact CG-CD1 4.29Å; L62-L74 HydrophobicContact CG-CG 4.36Å; L62-A78 HydrophobicContact CD2-CB 4.26Å; L62-A78 HydrophobicContact CG-CB 4.39Å
63H91.3Very high90.3Very high6 Ų656.4 Ų56.43%0.02829%0.287CS..Hα-helixtrans-62.1-45.5176.6179.2-88.6000112.1L59 F60 E61 A66 D67 K75 A78 F113L59-H63 WeakPolarHBondContact O-CB 3.37Å; L59-H63 PolarHBondContact O-N 2.8Å; F60-H63 PolarHBondContact O-N 3.25Å; E61-H63 VanDerWaalsContact C-N 3.34Å; E61-H63 PolarHBondContact O-N 2.96Å; H63-A66 PolarHBondContact O-N 3.19Å; H63-D67 WeakPolarHBondContact O-CB 3.22Å; H63-D67 PolarHBondContact O-N 3.18Å; H63-K75 WeakPolarHBondContact CD2-CG 3.37Å; H63-K75 WeakPolarHBondContact CE1-CE 3.42Å; H63-K75 WeakPolarHBondContact NE2-CE 3.26Å; H63-K75 VanDerWaalsContact NE2-CG 3.26Å; H63-K75 WeakPolarHBondContact NE2-CG 3.32Å; H63-A78 HydrophobicContact CB-CB 4Å; H63-F113 HydrophobicContact CB-CE1 4.18Å; H63-F113 HydrophobicContact CB-CZ 3.72Å; H63-F113 AromaticContact CD2-CE1 3.33Å; H63-F113 WeakPolarHBondContact CD2-CE1 3.38Å; H63-F113 AromaticContact CD2-CZ 3.67Å; H63-F113 AromaticContact CE1-CE1 3.64Å; H63-F113 AromaticContact CE1-CZ 3.63Å; H63-F113 AromaticContact CG-CE1 3.5Å; H63-F113 AromaticContact CG-CZ 3.29Å; H63-F113 AromaticContact ND1-CE1 3.71Å; H63-F113 AromaticContact ND1-CZ 3.29Å; H63-F113 VanDerWaalsContact ND1-CZ 3.29Å; H63-F113 WeakPolarHBondContact ND1-CZ 3.49Å; H63-F113 AromaticContact NE2-CE1 3.43Å; H63-F113 WeakPolarHBondContact NE2-CE1 3.38Å; H63-F113 AromaticContact NE2-CZ 3.87Å
64R88.9Confident90.3Very high120 Ų12055.7 Ų55.745%0.45328%0.283SS..Hα-helixtrans-63.4-41.7177.5-72.7174.1-179.6-170.5-1112.2F60 E61 D67 F68 D111F60-R64 WeakPolarHBondContact O-CG 3.23Å; F60-R64 PolarHBondContact O-N 3.47Å; E61-R64 PolarHBondContact O-N 3.06Å; R64-D67 PolarHBondContact O-N 3.35Å; R64-F68 WeakPolarHBondContact O-CB 3.26Å; R64-F68 PolarHBondContact O-N 3.04Å; R64-D111 IonicContact CZ-OD1 3.36Å; R64-D111 IonicContact CZ-OD2 2.77Å; R64-D111 IonicContact NE-OD1 3.02Å; R64-D111 PolarHBondContact NE-OD1 2.8Å; R64-D111 IonicContact NE-OD2 3.61Å; R64-D111 PolarHBondContact NE-OD2 2.95Å; R64-D111 IonicContact NH2-OD1 3.6Å; R64-D111 PolarHBondContact NH2-OD1 2.82Å; R64-D111 IonicContact NH2-OD2 3.7Å; R64-D111 PolarHBondContact NH2-OD2 3.08Å
65L89.5Confident90.4Very high24 Ų2454.3 Ų54.313%0.12627%0.27CS..Hα-helixtrans-65-43.3175.5-177.965.3000111V38 V39 M42 E61 L62 D67 F68 L69V38-L65 HydrophobicContact CG1-CB 4.38Å; V38-L65 HydrophobicContact CG1-CD2 3.82Å; V39-L65 HydrophobicContact CG2-CD2 4.1Å; M42-L65 HydrophobicContact CB-CD2 4.17Å; M42-L65 HydrophobicContact CG-CD2 4.38Å; E61-L65 WeakPolarHBondContact O-CB 3.3Å; E61-L65 PolarHBondContact O-N 2.84Å; L62-L65 PolarHBondContact O-N 3.28Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-D67 PolarHBondContact O-N 2.83Å; L65-F68 PolarHBondContact O-N 3.36Å; L65-L69 HydrophobicContact CD1-CD1 3.91Å; L65-L69 HydrophobicContact CD1-CG 4.17Å; L65-L69 HydrophobicContact CD2-CD1 4.48Å; L65-L69 HydrophobicContact CG-CD1 3.88Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 WeakPolarHBondContact O-CB 3.45Å; L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 2.95Å
66A91.4Very high90.6Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-62.2-40.8177.300000111.8L62 H63 L69 H70 L71 L74 K75L62-A66 VanDerWaalsContact O-CB 3.23Å; L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 3.41Å; H63-A66 PolarHBondContact O-N 3.19Å; A66-L69 PolarHBondContact O-N 3.31Å; A66-H70 PolarHBondContact O-N 3.07Å; A66-L71 HydrophobicContact CB-CB 4.48Å; A66-L71 PolarHBondContact O-N 3.21Å; A66-L74 HydrophobicContact CB-CB 3.89Å; A66-L74 HydrophobicContact CB-CD2 4.05Å; A66-L74 HydrophobicContact CB-CG 3.86Å; A66-K75 HydrophobicContact CB-CB 4.11Å
67D90.4Very high90.8Very high62 Ų6250.3 Ų50.333%0.33224%0.236SC..Hα-helixtrans-64.8-46.5175.6-169.164000111.8H63 R64 L65 L69 H70 K75H63-D67 WeakPolarHBondContact O-CB 3.22Å; H63-D67 PolarHBondContact O-N 3.18Å; R64-D67 PolarHBondContact O-N 3.35Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-D67 PolarHBondContact O-N 2.83Å; D67-L69 VanDerWaalsContact C-N 3.33Å; D67-L69 PolarHBondContact O-N 3.35Å; D67-H70 PolarHBondContact O-N 3.41Å; D67-H70 PolarHBondContact O-ND1 3.01Å; D67-K75 HydrophobicContact CB-CD 4.35Å; D67-K75 WeakPolarHBondContact OD1-CE 3.29Å; D67-K75 IonicContact OD1-NZ 2.67Å; D67-K75 PolarHBondContact OD1-NZ 3.17Å
68F87.7Confident90.9Very high98 Ų9849.8 Ų49.843%0.4323%0.233SC..Hα-helixtrans-59.6-40.7176.1-179.7-96.9000112.9Y13 L31 R64 L65 H70Y13-F68 HydrophobicContact CD2-CE1 4.02Å; Y13-F68 HydrophobicContact CD2-CZ 4.29Å; Y13-F68 HydrophobicContact CE1-CE1 4.32Å; Y13-F68 AromaticContact CE2-CE1 3.59Å; Y13-F68 HydrophobicContact CE2-CE1 3.59Å; Y13-F68 AromaticContact CE2-CZ 3.68Å; Y13-F68 HydrophobicContact CE2-CZ 3.68Å; Y13-F68 AromaticContact CZ-CE1 3.76Å; L31-F68 HydrophobicContact CD1-CD1 4.06Å; L31-F68 HydrophobicContact CD1-CE1 3.7Å; L31-F68 HydrophobicContact CD2-CD1 4.05Å; L31-F68 HydrophobicContact CD2-CE1 3.59Å; L31-F68 HydrophobicContact CD2-CZ 4.26Å; L31-F68 HydrophobicContact CG-CD1 4.47Å; L31-F68 HydrophobicContact CG-CE1 3.79Å; R64-F68 WeakPolarHBondContact O-CB 3.26Å; R64-F68 PolarHBondContact O-N 3.04Å; L65-F68 PolarHBondContact O-N 3.36Å; F68-H70 VanDerWaalsContact C-N 3.27Å; F68-H70 PolarHBondContact O-N 2.68Å
69L89Confident91.1Very high0 Ų047.7 Ų47.70%022%0.222CC..THydrogen-bonded Turntrans-82.9-1.2177.6-66.2176.7000113.2S11 Y13 F14 L31 M42 L65 A66 D67 L71S11-L69 WeakPolarHBondContact CB-O 3.48Å; S11-L69 PolarHBondContact OG-O 2.79Å; Y13-L69 HydrophobicContact CD1-CD2 3.41Å; Y13-L69 VanDerWaalsContact CD1-CD2 3.41Å; Y13-L69 HydrophobicContact CE1-CD2 4Å; Y13-L69 HydrophobicContact CG-CD2 3.91Å; F14-L69 HydrophobicContact CE1-CD2 4.31Å; F14-L69 HydrophobicContact CE2-CD1 4.16Å; F14-L69 HydrophobicContact CE2-CD2 3.85Å; F14-L69 HydrophobicContact CZ-CD1 4.27Å; F14-L69 HydrophobicContact CZ-CD2 3.68Å; L31-L69 HydrophobicContact CD1-CD2 3.66Å; M42-L69 HydrophobicContact CE-CD1 3.86Å; M42-L69 HydrophobicContact CG-CD1 4.06Å; M42-L69 HydrophobicContact SD-CD1 4.02Å; L65-L69 HydrophobicContact CD1-CD1 3.91Å; L65-L69 HydrophobicContact CD1-CG 4.17Å; L65-L69 HydrophobicContact CD2-CD1 4.48Å; L65-L69 HydrophobicContact CG-CD1 3.88Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 WeakPolarHBondContact O-CB 3.45Å; L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 2.95Å; A66-L69 PolarHBondContact O-N 3.31Å; D67-L69 VanDerWaalsContact C-N 3.33Å; D67-L69 PolarHBondContact O-N 3.35Å; L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CD1 4.02Å; L69-L71 HydrophobicContact CB-CG 3.95Å; L69-L71 HydrophobicContact CD1-CD1 4.12Å; L69-L71 PolarHBondContact O-N 3.46Å
70H90.5Very high91.1Very high104 Ų10451 Ų5148%0.48124%0.24SC..THydrogen-bonded Turntrans54.138.2-174.3-55.5-51.8000113.8P12 A66 D67 F68 H72P12-H70 HydrophobicContact CG-CB 4.2Å; A66-H70 PolarHBondContact O-N 3.07Å; D67-H70 PolarHBondContact O-N 3.41Å; D67-H70 PolarHBondContact O-ND1 3.01Å; F68-H70 VanDerWaalsContact C-N 3.27Å; F68-H70 PolarHBondContact O-N 2.68Å; H70-H72 PolarHBondContact O-N 2.66Å
71L91.9Very high91.3Very high13 Ų1352.6 Ų52.67%0.06825%0.247CC..  trans-93.382175.8-67176.2000110.4A10 M42 V46 A66 L69 M73 L74 K75A10-L71 HydrophobicContact CB-CD2 4.35Å; A10-L71 WeakPolarHBondContact O-CD2 3.18Å; M42-L71 HydrophobicContact CG-CD1 3.95Å; M42-L71 HydrophobicContact SD-CD1 4.16Å; V46-L71 HydrophobicContact CG2-CD1 4.09Å; A66-L71 HydrophobicContact CB-CB 4.48Å; A66-L71 PolarHBondContact O-N 3.21Å; L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CD1 4.02Å; L69-L71 HydrophobicContact CB-CG 3.95Å; L69-L71 HydrophobicContact CD1-CD1 4.12Å; L69-L71 PolarHBondContact O-N 3.46Å; L71-M73 PolarHBondContact O-N 3.16Å; L71-L74 HydrophobicContact CB-CB 4Å; L71-L74 HydrophobicContact CD1-CD2 4.08Å; L71-L74 PolarHBondContact O-N 3.36Å; L71-L74 VanDerWaalsContact O-N 3.13Å; L71-K75 PolarHBondContact O-N 2.96Å
72H91.9Very high91.4Very high131 Ų13148.6 Ų48.661%0.60623%0.228SC*.Hα-helixtrans-55.9-44.5-174.8-72.6-74.9000114.4H70 L74 K75 E76H70-H72 PolarHBondContact O-N 2.66Å; H72-L74 VanDerWaalsContact C-N 3.28Å; H72-L74 PolarHBondContact O-N 2.87Å; H72-K75 WeakPolarHBondContact O-CB 3.28Å; H72-K75 PolarHBondContact O-N 3.19Å; H72-E76 PolarHBondContact O-N 3.46Å
73M92.3Very high91.4Very high139 Ų13950.7 Ų50.769%0.68524%0.236SC*.Hα-helixtrans-63.8-34.5179.8-64.4-170.4-56.100112.5F45 L71 L77F45-M73 HydrophobicContact CZ-CB 3.85Å; F45-M73 HydrophobicContact CZ-CE 4.27Å; L71-M73 PolarHBondContact O-N 3.16Å; M73-L77 WeakPolarHBondContact O-CB 3.4Å; M73-L77 PolarHBondContact O-N 2.91Å
74L92.8Very high91.4Very high0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-73.6-35.9177.2-172.958.8000111.2F41 M42 F45 L62 A66 L71 H72 L77 A78F41-L74 HydrophobicContact CD1-CD1 4.45Å; F41-L74 HydrophobicContact CE1-CD1 3.92Å; M42-L74 HydrophobicContact CB-CD2 4.06Å; M42-L74 HydrophobicContact CG-CD2 3.75Å; F45-L74 HydrophobicContact CB-CD1 4.28Å; F45-L74 HydrophobicContact CD1-CB 4.14Å; F45-L74 HydrophobicContact CD1-CD1 4.07Å; F45-L74 HydrophobicContact CD1-CD2 4.3Å; F45-L74 HydrophobicContact CD1-CG 4.42Å; F45-L74 HydrophobicContact CD2-CD1 3.9Å; F45-L74 HydrophobicContact CE1-CB 3.85Å; F45-L74 HydrophobicContact CE1-CD1 4.42Å; F45-L74 HydrophobicContact CE2-CD1 4.25Å; F45-L74 HydrophobicContact CG-CD1 3.82Å; F45-L74 HydrophobicContact CZ-CB 4.15Å; L62-L74 HydrophobicContact CD1-CD1 4.06Å; L62-L74 HydrophobicContact CD1-CD2 3.93Å; L62-L74 HydrophobicContact CD1-CG 4.08Å; L62-L74 HydrophobicContact CD2-CD1 4.19Å; L62-L74 HydrophobicContact CG-CD1 4.29Å; L62-L74 HydrophobicContact CG-CG 4.36Å; A66-L74 HydrophobicContact CB-CB 3.89Å; A66-L74 HydrophobicContact CB-CD2 4.05Å; A66-L74 HydrophobicContact CB-CG 3.86Å; L71-L74 HydrophobicContact CB-CB 4Å; L71-L74 HydrophobicContact CD1-CD2 4.08Å; L71-L74 PolarHBondContact O-N 3.36Å; L71-L74 VanDerWaalsContact O-N 3.13Å; H72-L74 VanDerWaalsContact C-N 3.28Å; H72-L74 PolarHBondContact O-N 2.87Å; L74-L77 HydrophobicContact CD1-CD2 4.22Å; L74-L77 PolarHBondContact O-N 2.78Å; L74-A78 PolarHBondContact O-N 2.99Å
75K91.9Very high91.4Very high39 Ų3948.5 Ų48.517%0.1724%0.24CC..Hα-helixtrans-59.5-48.4172-167.9-179.1-178.7169.90110.5H63 A66 D67 L71 H72 A78 V79 D112H63-K75 WeakPolarHBondContact CD2-CG 3.37Å; H63-K75 WeakPolarHBondContact CE1-CE 3.42Å; H63-K75 WeakPolarHBondContact NE2-CE 3.26Å; H63-K75 VanDerWaalsContact NE2-CG 3.26Å; H63-K75 WeakPolarHBondContact NE2-CG 3.32Å; A66-K75 HydrophobicContact CB-CB 4.11Å; D67-K75 HydrophobicContact CB-CD 4.35Å; D67-K75 WeakPolarHBondContact OD1-CE 3.29Å; D67-K75 IonicContact OD1-NZ 2.67Å; D67-K75 PolarHBondContact OD1-NZ 3.17Å; L71-K75 PolarHBondContact O-N 2.96Å; H72-K75 WeakPolarHBondContact O-CB 3.28Å; H72-K75 PolarHBondContact O-N 3.19Å; K75-A78 PolarHBondContact O-N 3.17Å; K75-V79 PolarHBondContact O-N 3.38Å; K75-D112 IonicContact NZ-OD2 2.72Å; K75-D112 PolarHBondContact NZ-OD2 3.44Å
76E92.2Very high91.3Very high124 Ų12449.5 Ų49.558%0.57924%0.243SC*.Hα-helixtrans-64.5-41.1176.4-72.7178.8-17100112.6H72 A78 V79 L80H72-E76 PolarHBondContact O-N 3.46Å; E76-A78 PolarHBondContact O-N 3.12Å; E76-V79 PolarHBondContact O-N 3.37Å; E76-L80 WeakPolarHBondContact O-CB 3.47Å; E76-L80 WeakPolarHBondContact O-CG 3.4Å; E76-L80 PolarHBondContact O-N 3.29Å
77L93.8Very high91.2Very high16 Ų1649.5 Ų49.58%0.08424%0.243CC..Hα-helixtrans-59.5-47176.4-179.563.3000111.3F41 F45 L51 V53 M73 L74 V79 L80 E81F41-L77 HydrophobicContact CE1-CD2 4.34Å; F41-L77 HydrophobicContact CZ-CD2 4.26Å; F45-L77 HydrophobicContact CD2-CD2 4.04Å; F45-L77 HydrophobicContact CE2-CD2 3.99Å; L51-L77 HydrophobicContact CB-CD1 4.31Å; L51-L77 HydrophobicContact CB-CD2 4.49Å; L51-L77 HydrophobicContact CD2-CD2 4.14Å; V53-L77 HydrophobicContact CG2-CD2 4.1Å; V53-L77 HydrophobicContact CG2-CG 4.24Å; M73-L77 WeakPolarHBondContact O-CB 3.4Å; M73-L77 PolarHBondContact O-N 2.91Å; L74-L77 HydrophobicContact CD1-CD2 4.22Å; L74-L77 PolarHBondContact O-N 2.78Å; L77-V79 VanDerWaalsContact C-N 3.28Å; L77-V79 PolarHBondContact O-N 3.33Å; L77-L80 PolarHBondContact O-N 3.01Å; L77-L80 VanDerWaalsContact O-N 3.15Å; L77-E81 HydrophobicContact CD1-CG 4.21Å; L77-E81 HydrophobicContact CG-CG 4.44Å; L77-E81 WeakPolarHBondContact O-CG 3.41Å; L77-E81 PolarHBondContact O-N 2.91Å
78A92.5Very high91.2Very high0 Ų049.4 Ų49.40%024%0.241CC..Hα-helixtrans-58.3-41.6177.900000111.8L62 H63 L74 K75 E76 I82L62-A78 HydrophobicContact CD2-CB 4.26Å; L62-A78 HydrophobicContact CG-CB 4.39Å; H63-A78 HydrophobicContact CB-CB 4Å; L74-A78 PolarHBondContact O-N 2.99Å; K75-A78 PolarHBondContact O-N 3.17Å; E76-A78 PolarHBondContact O-N 3.12Å; A78-I82 VanDerWaalsContact O-CG1 3.26Å; A78-I82 WeakPolarHBondContact O-CG1 3.48Å; A78-I82 PolarHBondContact O-N 3.21Å; A78-I82 VanDerWaalsContact O-N 3.11Å
79V92.4Very high91.3Very high21 Ų2152.1 Ų52.113%0.12725%0.249CC..Hα-helixtrans-64.8-44.1175.3166.90000112.1K75 E76 L77 I82 R83 F113 L116K75-V79 PolarHBondContact O-N 3.38Å; E76-V79 PolarHBondContact O-N 3.37Å; L77-V79 VanDerWaalsContact C-N 3.28Å; L77-V79 PolarHBondContact O-N 3.33Å; V79-I82 PolarHBondContact O-N 2.96Å; V79-R83 PolarHBondContact O-N 3.34Å; V79-F113 HydrophobicContact CG2-CD1 3.93Å; V79-F113 HydrophobicContact CG2-CE1 3.77Å; V79-L116 HydrophobicContact CB-CD1 4.35Å; V79-L116 HydrophobicContact CG1-CD1 3.35Å; V79-L116 HydrophobicContact CG1-CD2 4.32Å; V79-L116 HydrophobicContact CG1-CG 4.28Å; V79-L116 HydrophobicContact CG2-CD1 4.2Å
80L92.8Very high91.3Very high82 Ų8253.5 Ų53.543%0.42926%0.255SS..Hα-helixtrans-64.5-40.9179.5-75.1169.7000111.9E76 L77 R83 A84E76-L80 WeakPolarHBondContact O-CB 3.47Å; E76-L80 WeakPolarHBondContact O-CG 3.4Å; E76-L80 PolarHBondContact O-N 3.29Å; L77-L80 PolarHBondContact O-N 3.01Å; L77-L80 VanDerWaalsContact O-N 3.15Å; L80-R83 WeakPolarHBondContact O-CB 3.46Å; L80-R83 PolarHBondContact O-N 3.5Å; L80-A84 VanDerWaalsContact O-CB 3.31Å; L80-A84 WeakPolarHBondContact O-CB 3.27Å; L80-A84 PolarHBondContact O-N 2.88Å
81E92.3Very high91.3Very high41 Ų4152.5 Ų52.519%0.19225%0.251CS..Hα-helixtrans-64.4-42.3175.6-74.4-57.7141.900111.8V53 L59 L77 R83 A84 V85V53-E81 HydrophobicContact CB-CG 4.27Å; V53-E81 HydrophobicContact CG2-CG 3.69Å; L59-E81 HydrophobicContact CD1-CB 3.93Å; L59-E81 HydrophobicContact CD2-CB 4.12Å; L77-E81 HydrophobicContact CD1-CG 4.21Å; L77-E81 HydrophobicContact CG-CG 4.44Å; L77-E81 WeakPolarHBondContact O-CG 3.41Å; L77-E81 PolarHBondContact O-N 2.91Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 3.43Å; E81-A84 PolarHBondContact O-N 3.18Å; E81-V85 WeakPolarHBondContact O-CB 3.19Å; E81-V85 PolarHBondContact O-N 3.42Å; E81-V85 WeakPolarHBondContact OE2-CG2 3.21Å
82I91.8Very high91.1Very high0 Ų058.9 Ų58.90%028%0.28CS..Iπ-helixtrans-57.2-46.4172.8-67.5166.1000110.1L59 F60 A78 V79 H86 C87 Y100 F108 F113 L116L59-I82 HydrophobicContact CB-CD1 4.1Å; L59-I82 HydrophobicContact CB-CG1 3.84Å; L59-I82 HydrophobicContact CD1-CB 4.47Å; L59-I82 HydrophobicContact CD1-CG1 3.57Å; L59-I82 HydrophobicContact CG-CG1 4.36Å; F60-I82 HydrophobicContact CE1-CD1 4.24Å; F60-I82 HydrophobicContact CZ-CD1 4.46Å; A78-I82 VanDerWaalsContact O-CG1 3.26Å; A78-I82 WeakPolarHBondContact O-CG1 3.48Å; A78-I82 PolarHBondContact O-N 3.21Å; A78-I82 VanDerWaalsContact O-N 3.11Å; V79-I82 PolarHBondContact O-N 2.96Å; I82-H86 PolarHBondContact O-N 2.81Å; I82-C87 PolarHBondContact O-N 2.9Å; I82-Y100 HydrophobicContact CG2-CE1 4.12Å; I82-F108 HydrophobicContact CG2-CE1 4.4Å; I82-F108 HydrophobicContact CG2-CZ 4.31Å; I82-F113 HydrophobicContact CD1-CE1 4.36Å; I82-L116 HydrophobicContact CB-CD2 4.15Å; I82-L116 HydrophobicContact CG2-CD2 3.67Å
83R91.6Very high90.9Very high44 Ų4454.4 Ų54.417%0.16626%0.263CS..Iπ-helixtrans-62.8-45.2178.3-78.1-179.9169.3146.81.2112.1V79 L80 E81 C87 H88 Y89 L116 E119V79-R83 PolarHBondContact O-N 3.34Å; L80-R83 WeakPolarHBondContact O-CB 3.46Å; L80-R83 PolarHBondContact O-N 3.5Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 3.43Å; R83-C87 CarbonylContact O-C 3.49Å; R83-H88 PolarHBondContact O-N 3.49Å; R83-Y89 HydrophobicContact CB-CD1 4.24Å; R83-Y89 HydrophobicContact CB-CE1 4.16Å; R83-Y89 PolarHBondContact O-N 2.77Å; R83-L116 HydrophobicContact CG-CD2 4.36Å; R83-L116 HydrophobicContact CG-CG 4.48Å; R83-E119 IonicContact CZ-OE1 3.58Å; R83-E119 IonicContact CZ-OE2 2.73Å; R83-E119 IonicContact NE-OE1 2.94Å; R83-E119 IonicContact NE-OE2 2.94Å; R83-E119 PolarHBondContact NE-OE2 2.95Å; R83-E119 IonicContact NH2-OE1 3.46Å; R83-E119 PolarHBondContact NH2-OE1 3.43Å; R83-E119 IonicContact NH2-OE2 3.59Å; R83-E119 PolarHBondContact NH2-OE2 3.01Å
84A91.9Very high90.8Very high29 Ų2949 Ų4924%0.2424%0.238CC..Iπ-helixtrans-79-52-171.900000112.9L80 E81 H88 Y89L80-A84 VanDerWaalsContact O-CB 3.31Å; L80-A84 WeakPolarHBondContact O-CB 3.27Å; L80-A84 PolarHBondContact O-N 2.88Å; E81-A84 PolarHBondContact O-N 3.18Å; A84-H88 PolarHBondContact O-CD2 3.47Å; A84-Y89 HydrophobicContact CB-CE2 3.94Å
85V89.1Confident90.5Very high52 Ų5253.9 Ų53.932%0.31527%0.273SS..Iπ-helixtrans-87-39.2-169.8178.80000112.1E81E81-V85 WeakPolarHBondContact O-CB 3.19Å; E81-V85 PolarHBondContact O-N 3.42Å; E81-V85 WeakPolarHBondContact OE2-CG2 3.21Å
86H87.5Confident90.4Very high44 Ų4456.7 Ų56.720%0.20429%0.286CS..Iπ-helixtrans-99.9-37.2-173.5-60.7-45.2000113.7L59 I82 Y100L59-H86 WeakPolarHBondContact CD1-NE2 3.21Å; I82-H86 PolarHBondContact O-N 2.81Å; H86-Y100 HydrophobicContact CB-CD1 3.55Å; H86-Y100 HydrophobicContact CB-CD2 3.83Å; H86-Y100 HydrophobicContact CB-CE1 3.5Å; H86-Y100 VanDerWaalsContact CB-CE1 3.5Å; H86-Y100 HydrophobicContact CB-CE2 3.77Å; H86-Y100 HydrophobicContact CB-CG 3.73Å; H86-Y100 AromaticContact CD2-CE2 3.53Å; H86-Y100 AromaticContact CD2-CZ 3.34Å; H86-Y100 PolarHBondContact CD2-OH 3.39Å; H86-Y100 AromaticContact CG-CD2 3.86Å; H86-Y100 AromaticContact CG-CE1 3.98Å; H86-Y100 AromaticContact CG-CE2 3.45Å; H86-Y100 VanDerWaalsContact CG-CE2 3.45Å; H86-Y100 AromaticContact CG-CZ 3.52Å; H86-Y100 AromaticContact ND1-CE2 3.86Å; H86-Y100 AromaticContact NE2-CE2 3.95Å
87C88.8Confident90.4Very high0 Ų050.9 Ų50.90%026%0.259CS..SBendtrans-98.3-11.6-178.9-61.70000113.7I82 R83 Y89 F90I82-C87 PolarHBondContact O-N 2.9Å; R83-C87 CarbonylContact O-C 3.49Å; C87-Y89 PolarHBondContact O-N 3.41Å; C87-Y89 VanDerWaalsContact O-N 3.16Å; C87-F90 HydrophobicContact CB-CD1 4.42Å; C87-F90 HydrophobicContact CB-CE1 4.15Å; C87-F90 HydrophobicContact CB-CE2 4.31Å; C87-F90 HydrophobicContact CB-CZ 4.12Å; C87-F90 PolarHBondContact O-N 2.95Å
88H91Very high90.2Very high61 Ų6150.3 Ų50.328%0.28226%0.257SS..G310 helixtrans45.342.3-173.6-56.1140000113.4R83 A84 F90 H91 C94 C97R83-H88 PolarHBondContact O-N 3.49Å; A84-H88 PolarHBondContact O-CD2 3.47Å; H88-F90 PolarHBondContact O-N 2.92Å; H88-H91 AromaticContact CG-CE1 3.95Å; H88-H91 AromaticContact CG-NE2 3.84Å; H88-H91 AromaticContact ND1-CE1 3.53Å; H88-H91 AromaticContact ND1-NE2 3.31Å; H88-H91 PolarHBondContact ND1-NE2 3.46Å; H88-H91 PolarHBondContact O-N 3.44Å; H88-C94 PolarHBondContact ND1-SG 3.11Å; H88-C94 VanDerWaalsContact ND1-SG 3.42Å; H88-C97 PolarHBondContact ND1-SG 2.97Å
89Y89.8Confident90.1Very high155 Ų15553.8 Ų53.861%0.60828%0.278SS*.G310 helixtrans5335.7-174.8-60.1-80.7000114.2R83 A84 C87 H91R83-Y89 HydrophobicContact CB-CD1 4.24Å; R83-Y89 HydrophobicContact CB-CE1 4.16Å; R83-Y89 PolarHBondContact O-N 2.77Å; A84-Y89 HydrophobicContact CB-CE2 3.94Å; C87-Y89 PolarHBondContact O-N 3.41Å; C87-Y89 VanDerWaalsContact O-N 3.16Å; Y89-H91 VanDerWaalsContact C-N 3.3Å; Y89-H91 PolarHBondContact O-N 3.33Å
90F88.1Confident90.1Very high29 Ų2954.3 Ų54.313%0.12728%0.278CS..G310 helixtrans56.942.3176.5-59.7-78.1000112.9C87 H88 V101 E119 A120 W123C87-F90 HydrophobicContact CB-CD1 4.42Å; C87-F90 HydrophobicContact CB-CE1 4.15Å; C87-F90 HydrophobicContact CB-CE2 4.31Å; C87-F90 HydrophobicContact CB-CZ 4.12Å; C87-F90 PolarHBondContact O-N 2.95Å; H88-F90 PolarHBondContact O-N 2.92Å; F90-V101 HydrophobicContact CE1-CG2 4.1Å; F90-E119 HydrophobicContact CD2-CB 3.88Å; F90-E119 HydrophobicContact CE2-CB 3.49Å; F90-E119 VanDerWaalsContact CE2-CB 3.49Å; F90-E119 HydrophobicContact CE2-CG 4.38Å; F90-E119 VanDerWaalsContact CE2-OE2 3.24Å; F90-E119 WeakPolarHBondContact CE2-OE2 3.33Å; F90-E119 HydrophobicContact CZ-CB 3.89Å; F90-A120 VanDerWaalsContact CE1-CA 3.47Å; F90-A120 HydrophobicContact CE1-CB 3.77Å; F90-A120 HydrophobicContact CZ-CB 4.13Å; F90-W123 HydrophobicContact CB-CB 3.98Å; F90-W123 HydrophobicContact CB-CG 3.87Å; F90-W123 HydrophobicContact CD1-CB 3.65Å; F90-W123 HydrophobicContact CD1-CD2 4.16Å; F90-W123 AromaticContact CD1-CG 3.73Å; F90-W123 HydrophobicContact CD1-CG 3.73Å; F90-W123 HydrophobicContact CG-CB 4.12Å; F90-W123 HydrophobicContact CG-CG 4.26Å; F90-W123 PolarHBondContact O-NE1 3.05Å
91H90.2Very high90Very high82 Ų8250.6 Ų50.638%0.3826%0.258SS..  trans-67.1-174.7173.375.2162.2000113H88 Y89 C94 C97 W123H88-H91 AromaticContact CG-CE1 3.95Å; H88-H91 AromaticContact CG-NE2 3.84Å; H88-H91 AromaticContact ND1-CE1 3.53Å; H88-H91 AromaticContact ND1-NE2 3.31Å; H88-H91 PolarHBondContact ND1-NE2 3.46Å; H88-H91 PolarHBondContact O-N 3.44Å; Y89-H91 VanDerWaalsContact C-N 3.3Å; Y89-H91 PolarHBondContact O-N 3.33Å; H91-C94 VanDerWaalsContact NE2-CB 3.32Å; H91-C94 WeakPolarHBondContact NE2-CB 3.4Å; H91-C94 PolarHBondContact NE2-SG 3.3Å; H91-C94 VanDerWaalsContact NE2-SG 3.44Å; H91-C97 VanDerWaalsContact CD2-SG 3.57Å; H91-C97 PolarHBondContact NE2-SG 3.46Å; H91-W123 PolarHBondContact O-NE1 3.2Å
92Q88.7Confident89.8Confident148 Ų14848.8 Ų48.869%0.69225%0.25SC*.SBendtrans-49.9139174.2-173.1180-21.300111.3C94 Y127Q92-C94 PolarHBondContact O-N 3.18Å; Q92-Y127 HydrophobicContact CG-CE1 4.43Å
93P86.7Confident89.7Confident36 Ų3656.1 Ų56.123%0.23428%0.282CS..  trans-54.6109.5-169.720.7-36.4000113.7W123 Y127 A130P93-W123 HydrophobicContact CB-CH2 4.47Å; P93-W123 HydrophobicContact CB-CZ2 3.98Å; P93-Y127 VanDerWaalsContact CD-CD1 3.42Å; P93-Y127 VanDerWaalsContact CD-CG 3.46Å; P93-Y127 HydrophobicContact CG-CD1 4.06Å; P93-Y127 HydrophobicContact CG-CG 4.05Å; P93-A130 HydrophobicContact CB-CB 4.25Å; P93-A130 HydrophobicContact CG-CB 3.71Å
94C90.5Very high89.5Confident26 Ų2655.7 Ų55.718%0.17628%0.281CS..  trans-97.3148.1171.692.70000110.1H88 H91 Q92 Q96 C97 T98H88-C94 PolarHBondContact ND1-SG 3.11Å; H88-C94 VanDerWaalsContact ND1-SG 3.42Å; H91-C94 VanDerWaalsContact NE2-CB 3.32Å; H91-C94 WeakPolarHBondContact NE2-CB 3.4Å; H91-C94 PolarHBondContact NE2-SG 3.3Å; H91-C94 VanDerWaalsContact NE2-SG 3.44Å; Q92-C94 PolarHBondContact O-N 3.18Å; C94-Q96 PolarHBondContact O-N 2.8Å; C94-C97 HydrophobicContact CB-CB 4.2Å; C94-C97 WeakPolarHBondContact CB-SG 3Å; C94-C97 WeakPolarHBondContact O-CB 3.26Å; C94-C97 PolarHBondContact O-N 3.31Å; C94-C97 VanDerWaalsContact O-N 3.09Å; C94-C97 WeakPolarHBondContact SG-CB 3.26Å; C94-C97 PolarHBondContact SG-N 3.25Å; C94-C97 CovalentContact SG-SG 2.08Å; C94-C97 PolarHBondContact SG-SG 3.32Å; C94-T98 PolarHBondContact O-N 2.94Å; C94-T98 PolarHBondContact O-OG1 2.82Å
95S87.9Confident89.3Confident103 Ų10354.5 Ų54.572%0.7227%0.271SS*.Hα-helixtrans-55.9-38.1-17853.60000112.9T99S95-T99 VanDerWaalsContact O-CB 3.31Å; S95-T99 WeakPolarHBondContact O-CB 3.47Å; S95-T99 PolarHBondContact O-N 3.44Å; S95-T99 VanDerWaalsContact O-N 3.1Å; S95-T99 PolarHBondContact O-OG1 2.88Å
96Q89.8Confident89.1Confident98 Ų9856.7 Ų56.746%0.45828%0.276SS..Hα-helixtrans-65.3-48.2176.1-176.6178.6-0.900111.7C94 T99 Y100C94-Q96 PolarHBondContact O-N 2.8Å; Q96-T99 PolarHBondContact O-N 2.84Å; Q96-Y100 VanDerWaalsContact O-CB 3.26Å; Q96-Y100 WeakPolarHBondContact O-CB 3.3Å; Q96-Y100 PolarHBondContact O-N 2.84Å
97C90.9Very high89Confident1 Ų157 Ų571%0.00728%0.279CS..Hα-helixtrans-61.1-51.1-179.3-48.90000111H88 H91 C94 T99 Y100 V101 W123H88-C97 PolarHBondContact ND1-SG 2.97Å; H91-C97 VanDerWaalsContact CD2-SG 3.57Å; H91-C97 PolarHBondContact NE2-SG 3.46Å; C94-C97 HydrophobicContact CB-CB 4.2Å; C94-C97 WeakPolarHBondContact CB-SG 3Å; C94-C97 WeakPolarHBondContact O-CB 3.26Å; C94-C97 PolarHBondContact O-N 3.31Å; C94-C97 VanDerWaalsContact O-N 3.09Å; C94-C97 WeakPolarHBondContact SG-CB 3.26Å; C94-C97 PolarHBondContact SG-N 3.25Å; C94-C97 CovalentContact SG-SG 2.08Å; C94-C97 PolarHBondContact SG-SG 3.32Å; C97-T99 VanDerWaalsContact C-N 3.31Å; C97-T99 PolarHBondContact O-N 2.86Å; C97-Y100 PolarHBondContact O-N 3.42Å; C97-V101 VanDerWaalsContact O-CB 3.32Å; C97-V101 WeakPolarHBondContact O-CB 3.39Å; C97-V101 VanDerWaalsContact O-CG2 3.26Å; C97-V101 WeakPolarHBondContact O-CG2 3.42Å; C97-V101 PolarHBondContact O-N 3.26Å; C97-W123 HydrophobicContact CB-CH2 4.4Å; C97-W123 HydrophobicContact CB-CZ2 4.19Å
98T90.5Very high88.9Confident5 Ų557 Ų573%0.03128%0.279CS..Hα-helixtrans-61.4-41.5178.9-54.80000111.3C94 L102 V131 T134C94-T98 PolarHBondContact O-N 2.94Å; C94-T98 PolarHBondContact O-OG1 2.82Å; T98-L102 HydrophobicContact CG2-CD1 3.88Å; T98-L102 VanDerWaalsContact O-CB 3.3Å; T98-L102 WeakPolarHBondContact O-CB 3.45Å; T98-L102 WeakPolarHBondContact O-CG 3.43Å; T98-L102 PolarHBondContact O-N 2.86Å; T98-V131 HydrophobicContact CG2-CG1 4.27Å; T98-V131 HydrophobicContact CG2-CG2 4.47Å; T98-T134 HydrophobicContact CG2-CG2 3.91Å
99T90.7Very high88.5Confident72 Ų7257.4 Ų57.444%0.44229%0.286SS..Hα-helixtrans-69.4-44.4178.8-54.50000111.3S95 Q96 C97 K103S95-T99 VanDerWaalsContact O-CB 3.31Å; S95-T99 WeakPolarHBondContact O-CB 3.47Å; S95-T99 PolarHBondContact O-N 3.44Å; S95-T99 VanDerWaalsContact O-N 3.1Å; S95-T99 PolarHBondContact O-OG1 2.88Å; Q96-T99 PolarHBondContact O-N 2.84Å; C97-T99 VanDerWaalsContact C-N 3.31Å; C97-T99 PolarHBondContact O-N 2.86Å; T99-K103 WeakPolarHBondContact O-CB 3.31Å; T99-K103 PolarHBondContact O-N 3.1Å; T99-K103 VanDerWaalsContact O-N 3.11Å
100Y90.8Very high88Confident33 Ų3358 Ų5813%0.12929%0.292CS..Hα-helixtrans-69-50.8-176.4-173.6-86000112.4F60 I82 H86 Q96 C97 L102 K103 H104F60-Y100 VanDerWaalsContact CE2-OH 3.29Å; F60-Y100 WeakPolarHBondContact CE2-OH 3.32Å; I82-Y100 HydrophobicContact CG2-CE1 4.12Å; H86-Y100 HydrophobicContact CB-CD1 3.55Å; H86-Y100 HydrophobicContact CB-CD2 3.83Å; H86-Y100 HydrophobicContact CB-CE1 3.5Å; H86-Y100 VanDerWaalsContact CB-CE1 3.5Å; H86-Y100 HydrophobicContact CB-CE2 3.77Å; H86-Y100 HydrophobicContact CB-CG 3.73Å; H86-Y100 AromaticContact CD2-CE2 3.53Å; H86-Y100 AromaticContact CD2-CZ 3.34Å; H86-Y100 PolarHBondContact CD2-OH 3.39Å; H86-Y100 AromaticContact CG-CD2 3.86Å; H86-Y100 AromaticContact CG-CE1 3.98Å; H86-Y100 AromaticContact CG-CE2 3.45Å; H86-Y100 VanDerWaalsContact CG-CE2 3.45Å; H86-Y100 AromaticContact CG-CZ 3.52Å; H86-Y100 AromaticContact ND1-CE2 3.86Å; H86-Y100 AromaticContact NE2-CE2 3.95Å; Q96-Y100 VanDerWaalsContact O-CB 3.26Å; Q96-Y100 WeakPolarHBondContact O-CB 3.3Å; Q96-Y100 PolarHBondContact O-N 2.84Å; C97-Y100 PolarHBondContact O-N 3.42Å; Y100-L102 PolarHBondContact O-N 3.3Å; Y100-K103 PolarHBondContact O-N 3.35Å; Y100-H104 AromaticContact CD1-ND1 3.81Å; Y100-H104 AromaticContact CD2-CE1 3.57Å; Y100-H104 AromaticContact CD2-ND1 3.58Å; Y100-H104 AromaticContact CE1-ND1 3.75Å; Y100-H104 AromaticContact CE2-CE1 3.42Å; Y100-H104 VanDerWaalsContact CE2-CE1 3.42Å; Y100-H104 WeakPolarHBondContact CE2-CE1 3.39Å; Y100-H104 AromaticContact CE2-ND1 3.53Å; Y100-H104 AromaticContact CG-ND1 3.72Å; Y100-H104 AromaticContact CZ-CE1 3.89Å; Y100-H104 AromaticContact CZ-ND1 3.62Å; Y100-H104 PolarHBondContact O-N 3.41Å; Y100-H104 VanDerWaalsContact O-N 3.08Å; Y100-H104 PolarHBondContact O-ND1 3.24Å
101V90.9Very high87.1Confident3 Ų358.1 Ų58.12%0.01829%0.294CS..Hα-helixtrans-61-48.2-177.7172.80000110.4F90 C97 H104 L105 A120 W123F90-V101 HydrophobicContact CE1-CG2 4.1Å; C97-V101 VanDerWaalsContact O-CB 3.32Å; C97-V101 WeakPolarHBondContact O-CB 3.39Å; C97-V101 VanDerWaalsContact O-CG2 3.26Å; C97-V101 WeakPolarHBondContact O-CG2 3.42Å; C97-V101 PolarHBondContact O-N 3.26Å; V101-H104 PolarHBondContact O-N 2.78Å; V101-L105 WeakPolarHBondContact O-CB 3.34Å; V101-L105 PolarHBondContact O-N 2.86Å; V101-A120 HydrophobicContact CG1-CB 3.72Å; V101-W123 HydrophobicContact CB-CZ3 4.34Å; V101-W123 HydrophobicContact CG1-CE3 4.41Å; V101-W123 HydrophobicContact CG1-CZ3 4.32Å
102L89.1Confident86.6Confident3 Ų359.4 Ų59.42%0.01630%0.303CS..Hα-helixtrans-66.6-41.8-178.9-63.9-177.3000112T98 Y100 H104 L105 V131 A136 F137 L140T98-L102 HydrophobicContact CG2-CD1 3.88Å; T98-L102 VanDerWaalsContact O-CB 3.3Å; T98-L102 WeakPolarHBondContact O-CB 3.45Å; T98-L102 WeakPolarHBondContact O-CG 3.43Å; T98-L102 PolarHBondContact O-N 2.86Å; Y100-L102 PolarHBondContact O-N 3.3Å; L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 3.47Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-V131 HydrophobicContact CD1-CG1 3.82Å; L102-V131 HydrophobicContact CD2-CG1 3.9Å; L102-V131 HydrophobicContact CG-CG1 4.22Å; L102-A136 HydrophobicContact CB-CB 4.25Å; L102-A136 HydrophobicContact CD1-CB 3.83Å; L102-F137 HydrophobicContact CD1-CB 3.99Å; L102-F137 HydrophobicContact CD1-CD2 4.28Å; L102-F137 HydrophobicContact CD2-CD2 4.28Å; L102-L140 HydrophobicContact CB-CD2 4.18Å; L102-L140 HydrophobicContact CD2-CD1 4.17Å; L102-L140 WeakPolarHBondContact O-CD2 3.16Å
103K88.4Confident86.4Confident155 Ų15552.4 Ų52.467%0.67427%0.271SS*.Hα-helixtrans-61.2-39.9178.5-176.5-177.3176.7-168.40112.3T99 Y100T99-K103 WeakPolarHBondContact O-CB 3.31Å; T99-K103 PolarHBondContact O-N 3.1Å; T99-K103 VanDerWaalsContact O-N 3.11Å; Y100-K103 PolarHBondContact O-N 3.35Å
104H88.2Confident86.4Confident34 Ų3454.7 Ų54.716%0.15728%0.284CS..Hα-helixtrans-98.76.1-175.6-57.3103.6000114.2F60 Y100 V101 L102 K106 L107 F108F60-H104 HydrophobicContact CE2-CB 4.05Å; F60-H104 AromaticContact CE2-CD2 3.57Å; F60-H104 AromaticContact CE2-CG 3.72Å; F60-H104 HydrophobicContact CZ-CB 3.64Å; F60-H104 AromaticContact CZ-CG 3.85Å; Y100-H104 AromaticContact CD1-ND1 3.81Å; Y100-H104 AromaticContact CD2-CE1 3.57Å; Y100-H104 AromaticContact CD2-ND1 3.58Å; Y100-H104 AromaticContact CE1-ND1 3.75Å; Y100-H104 AromaticContact CE2-CE1 3.42Å; Y100-H104 VanDerWaalsContact CE2-CE1 3.42Å; Y100-H104 WeakPolarHBondContact CE2-CE1 3.39Å; Y100-H104 AromaticContact CE2-ND1 3.53Å; Y100-H104 AromaticContact CG-ND1 3.72Å; Y100-H104 AromaticContact CZ-CE1 3.89Å; Y100-H104 AromaticContact CZ-ND1 3.62Å; Y100-H104 PolarHBondContact O-N 3.41Å; Y100-H104 VanDerWaalsContact O-N 3.08Å; Y100-H104 PolarHBondContact O-ND1 3.24Å; V101-H104 PolarHBondContact O-N 2.78Å; L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 3.47Å; H104-K106 PolarHBondContact O-N 3.13Å; H104-K106 VanDerWaalsContact O-N 3.13Å; H104-L107 HydrophobicContact CB-CD1 4.28Å; H104-L107 WeakPolarHBondContact O-CA 3.49Å; H104-L107 WeakPolarHBondContact O-CB 3.28Å; H104-L107 PolarHBondContact O-N 3.48Å; H104-F108 HydrophobicContact CB-CZ 4.44Å; H104-F108 PolarHBondContact O-N 3.06Å
105L88Confident86.3Confident4 Ų458.2 Ų58.22%0.02130%0.301CS..Hα-helixtrans-55.8-35-179.9-177.967.3000112.3V101 L102 L107 F108 T109 L117 L121 Q144V101-L105 WeakPolarHBondContact O-CB 3.34Å; V101-L105 PolarHBondContact O-N 2.86Å; L102-L105 PolarHBondContact O-N 3.42Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3.24Å; L105-F108 HydrophobicContact CD1-CD2 4.45Å; L105-F108 PolarHBondContact O-N 3.42Å; L105-T109 PolarHBondContact O-N 3.46Å; L105-T109 PolarHBondContact O-OG1 3.34Å; L105-T109 VanDerWaalsContact O-OG1 3.11Å; L105-L117 HydrophobicContact CD1-CD1 3.65Å; L105-L121 HydrophobicContact CD1-CD2 4.36Å; L105-Q144 HydrophobicContact CD2-CB 4.12Å
106K85.5Confident86.4Confident98 Ų9853.5 Ų53.543%0.42627%0.268SS..Hα-helixtrans-63.1-31.4174.5-60.7-165-174-170.20113.6H104 K110 S141 Q144H104-K106 PolarHBondContact O-N 3.13Å; H104-K106 VanDerWaalsContact O-N 3.13Å; K106-K110 WeakPolarHBondContact O-CG 3.42Å; K106-K110 PolarHBondContact O-N 3.35Å; K106-S141 WeakPolarHBondContact CE-OG 3.19Å; K106-S141 VanDerWaalsContact NZ-CB 3.35Å; K106-S141 PolarHBondContact NZ-OG 3.21Å; K106-Q144 VanDerWaalsContact CE-CD 3.46Å; K106-Q144 HydrophobicContact CG-CG 3.98Å
107L85.2Confident86.4Confident50 Ų5049.9 Ų49.926%0.26225%0.251SS..Hα-helixtrans-74-39.1179.6-61.9178.7000109.9F60 H104 L105 T109 K110 D111F60-L107 HydrophobicContact CB-CD1 4.49Å; F60-L107 HydrophobicContact CD1-CB 4.05Å; F60-L107 HydrophobicContact CD1-CD1 3.86Å; F60-L107 HydrophobicContact CD2-CD1 3.69Å; F60-L107 HydrophobicContact CE1-CB 3.83Å; F60-L107 HydrophobicContact CE1-CD1 3.93Å; F60-L107 HydrophobicContact CE2-CD1 3.75Å; F60-L107 HydrophobicContact CG-CD1 3.75Å; F60-L107 HydrophobicContact CZ-CB 4.35Å; F60-L107 HydrophobicContact CZ-CD1 3.88Å; H104-L107 HydrophobicContact CB-CD1 4.28Å; H104-L107 WeakPolarHBondContact O-CA 3.49Å; H104-L107 WeakPolarHBondContact O-CB 3.28Å; H104-L107 PolarHBondContact O-N 3.48Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3.24Å; L107-T109 VanDerWaalsContact C-N 3.28Å; L107-T109 PolarHBondContact O-N 2.87Å; L107-K110 PolarHBondContact O-N 3.17Å; L107-K110 VanDerWaalsContact O-N 3.16Å; L107-D111 PolarHBondContact O-N 2.97Å; L107-D111 VanDerWaalsContact O-N 3.12Å
108F86Confident86.4Confident2 Ų255.1 Ų55.11%0.00928%0.276CS..Hα-helixtrans-62.2-34.8175.4-57.8-32.3000112.9F60 I82 H104 L105 F113 L116 L117 A120F60-F108 HydrophobicContact CE1-CD1 4Å; F60-F108 AromaticContact CE1-CE1 3.62Å; F60-F108 HydrophobicContact CE1-CE1 3.62Å; F60-F108 HydrophobicContact CZ-CD1 4.49Å; F60-F108 AromaticContact CZ-CE1 3.77Å; F60-F108 HydrophobicContact CZ-CE1 3.77Å; F60-F108 HydrophobicContact CZ-CZ 4.33Å; I82-F108 HydrophobicContact CG2-CE1 4.4Å; I82-F108 HydrophobicContact CG2-CZ 4.31Å; H104-F108 HydrophobicContact CB-CZ 4.44Å; H104-F108 PolarHBondContact O-N 3.06Å; L105-F108 HydrophobicContact CD1-CD2 4.45Å; L105-F108 PolarHBondContact O-N 3.42Å; F108-F113 HydrophobicContact CB-CB 4.46Å; F108-F113 HydrophobicContact CD1-CB 4.08Å; F108-F113 HydrophobicContact CD1-CD2 4.2Å; F108-F113 HydrophobicContact CD1-CG 4.26Å; F108-L116 HydrophobicContact CE1-CD2 4.3Å; F108-L117 HydrophobicContact CB-CB 4.05Å; F108-L117 HydrophobicContact CB-CD1 3.93Å; F108-A120 HydrophobicContact CD2-CB 4.5Å
109T83.1Confident86.4Confident69 Ų6958.1 Ų58.142%0.42329%0.29SS..Hα-helixtrans-72.2-27.5176-42.60000113.4L105 L107 E147L105-T109 PolarHBondContact O-N 3.46Å; L105-T109 PolarHBondContact O-OG1 3.34Å; L105-T109 VanDerWaalsContact O-OG1 3.11Å; L107-T109 VanDerWaalsContact C-N 3.28Å; L107-T109 PolarHBondContact O-N 2.87Å; T109-E147 PolarHBondContact OG1-OE2 3.47Å
110K79Confident86.5Confident166 Ų16654.8 Ų54.872%0.72227%0.269SS*.Hα-helixtrans-89.4-35.2-173.8-79-175177.2-171.60114.1K106 L107K106-K110 WeakPolarHBondContact O-CG 3.42Å; K106-K110 PolarHBondContact O-N 3.35Å; L107-K110 PolarHBondContact O-N 3.17Å; L107-K110 VanDerWaalsContact O-N 3.16Å
111D68.7Low86.5Confident32 Ų3253.4 Ų53.417%0.17126%0.264CS..SBendtrans-103.1171.6-171.4-61-32.5000109.9R64 L107 F113R64-D111 IonicContact CZ-OD1 3.36Å; R64-D111 IonicContact CZ-OD2 2.77Å; R64-D111 IonicContact NE-OD1 3.02Å; R64-D111 PolarHBondContact NE-OD1 2.8Å; R64-D111 IonicContact NE-OD2 3.61Å; R64-D111 PolarHBondContact NE-OD2 2.95Å; R64-D111 IonicContact NH2-OD1 3.6Å; R64-D111 PolarHBondContact NH2-OD1 2.82Å; R64-D111 IonicContact NH2-OD2 3.7Å; R64-D111 PolarHBondContact NH2-OD2 3.08Å; L107-D111 PolarHBondContact O-N 2.97Å; L107-D111 VanDerWaalsContact O-N 3.12Å; D111-F113 HydrophobicContact CB-CD2 3.41Å; D111-F113 VanDerWaalsContact CB-CD2 3.41Å; D111-F113 HydrophobicContact CB-CE2 3.47Å; D111-F113 VanDerWaalsContact CB-CE2 3.47Å; D111-F113 HydrophobicContact CB-CG 4.46Å; D111-F113 PolarHBondContact O-N 3.49Å
112D79.8Confident86.5Confident109 Ų10956.6 Ų56.658%0.58328%0.281SS*.SBendtrans-63.726178.4-66-21.8000114.8K75 T114K75-D112 IonicContact NZ-OD2 2.72Å; K75-D112 PolarHBondContact NZ-OD2 3.44Å; D112-T114 VanDerWaalsContact C-N 3.26Å; D112-T114 PolarHBondContact O-N 2.83Å
113F85.5Confident86.6Confident2 Ų256.7 Ų56.71%0.00928%0.281CS..  trans-90.738.2179.8-59.9-65.9000112.4F60 H63 V79 I82 F108 D111 D115 L116 L117F60-F113 AromaticContact CD1-CE2 3.74Å; F60-F113 HydrophobicContact CD1-CE2 3.74Å; F60-F113 HydrophobicContact CD1-CZ 4.04Å; F60-F113 HydrophobicContact CE1-CE2 4.13Å; F60-F113 HydrophobicContact CE1-CZ 4.5Å; H63-F113 HydrophobicContact CB-CE1 4.18Å; H63-F113 HydrophobicContact CB-CZ 3.72Å; H63-F113 AromaticContact CD2-CE1 3.33Å; H63-F113 WeakPolarHBondContact CD2-CE1 3.38Å; H63-F113 AromaticContact CD2-CZ 3.67Å; H63-F113 AromaticContact CE1-CE1 3.64Å; H63-F113 AromaticContact CE1-CZ 3.63Å; H63-F113 AromaticContact CG-CE1 3.5Å; H63-F113 AromaticContact CG-CZ 3.29Å; H63-F113 AromaticContact ND1-CE1 3.71Å; H63-F113 AromaticContact ND1-CZ 3.29Å; H63-F113 VanDerWaalsContact ND1-CZ 3.29Å; H63-F113 WeakPolarHBondContact ND1-CZ 3.49Å; H63-F113 AromaticContact NE2-CE1 3.43Å; H63-F113 WeakPolarHBondContact NE2-CE1 3.38Å; H63-F113 AromaticContact NE2-CZ 3.87Å; V79-F113 HydrophobicContact CG2-CD1 3.93Å; V79-F113 HydrophobicContact CG2-CE1 3.77Å; I82-F113 HydrophobicContact CD1-CE1 4.36Å; F108-F113 HydrophobicContact CB-CB 4.46Å; F108-F113 HydrophobicContact CD1-CB 4.08Å; F108-F113 HydrophobicContact CD1-CD2 4.2Å; F108-F113 HydrophobicContact CD1-CG 4.26Å; D111-F113 HydrophobicContact CB-CD2 3.41Å; D111-F113 VanDerWaalsContact CB-CD2 3.41Å; D111-F113 HydrophobicContact CB-CE2 3.47Å; D111-F113 VanDerWaalsContact CB-CE2 3.47Å; D111-F113 HydrophobicContact CB-CG 4.46Å; D111-F113 PolarHBondContact O-N 3.49Å; F113-D115 VanDerWaalsContact C-N 3.25Å; F113-D115 PolarHBondContact O-N 3.22Å; F113-L116 HydrophobicContact CB-CB 4.28Å; F113-L116 HydrophobicContact CB-CD1 4.42Å; F113-L116 HydrophobicContact CD1-CD1 4.17Å; F113-L116 PolarHBondContact O-N 3.08Å; F113-L116 VanDerWaalsContact O-N 3.12Å; F113-L117 WeakPolarHBondContact O-CB 3.19Å; F113-L117 PolarHBondContact O-N 2.85Å
114T85.8Confident86.7Confident84 Ų8449.5 Ų49.552%0.51525%0.25SC..Hα-helixtrans-55.2-42.5-177.252.20000112.1D112 L116 L117 E118D112-T114 VanDerWaalsContact C-N 3.26Å; D112-T114 PolarHBondContact O-N 2.83Å; T114-L116 PolarHBondContact O-N 2.91Å; T114-L117 WeakPolarHBondContact O-CB 3.49Å; T114-L117 PolarHBondContact O-N 3.36Å; T114-E118 WeakPolarHBondContact O-CG 3.33Å; T114-E118 PolarHBondContact O-N 3.24Å
115D88.6Confident86.7Confident99 Ų9948.2 Ų48.253%0.52925%0.245SC..Hα-helixtrans-66-40.3-179.3-61.5-7.2000111.9F113 E119F113-D115 VanDerWaalsContact C-N 3.25Å; F113-D115 PolarHBondContact O-N 3.22Å; D115-E119 WeakPolarHBondContact O-CB 3.46Å; D115-E119 VanDerWaalsContact O-CG 3.28Å; D115-E119 WeakPolarHBondContact O-CG 3.43Å; D115-E119 PolarHBondContact O-N 2.83Å
116L90Very high86.6Confident4 Ų451.4 Ų51.42%0.02126%0.262CS..Hα-helixtrans-71.4-35.1177.1-73.681.8000111.2V79 I82 R83 F108 F113 T114 E119 A120V79-L116 HydrophobicContact CB-CD1 4.35Å; V79-L116 HydrophobicContact CG1-CD1 3.35Å; V79-L116 HydrophobicContact CG1-CD2 4.32Å; V79-L116 HydrophobicContact CG1-CG 4.28Å; V79-L116 HydrophobicContact CG2-CD1 4.2Å; I82-L116 HydrophobicContact CB-CD2 4.15Å; I82-L116 HydrophobicContact CG2-CD2 3.67Å; R83-L116 HydrophobicContact CG-CD2 4.36Å; R83-L116 HydrophobicContact CG-CG 4.48Å; F108-L116 HydrophobicContact CE1-CD2 4.3Å; F113-L116 HydrophobicContact CB-CB 4.28Å; F113-L116 HydrophobicContact CB-CD1 4.42Å; F113-L116 HydrophobicContact CD1-CD1 4.17Å; F113-L116 PolarHBondContact O-N 3.08Å; F113-L116 VanDerWaalsContact O-N 3.12Å; T114-L116 PolarHBondContact O-N 2.91Å; L116-E119 PolarHBondContact O-N 3.49Å; L116-A120 WeakPolarHBondContact O-CB 3.5Å; L116-A120 PolarHBondContact O-N 3.25Å
117L90.3Very high86.6Confident22 Ų2250.6 Ų50.612%0.11526%0.257CS..Hα-helixtrans-62.6-49.4175.1-179.164.8000110.2L105 F108 F113 T114 E119 A120 L121L105-L117 HydrophobicContact CD1-CD1 3.65Å; F108-L117 HydrophobicContact CB-CB 4.05Å; F108-L117 HydrophobicContact CB-CD1 3.93Å; F113-L117 WeakPolarHBondContact O-CB 3.19Å; F113-L117 PolarHBondContact O-N 2.85Å; T114-L117 WeakPolarHBondContact O-CB 3.49Å; T114-L117 PolarHBondContact O-N 3.36Å; L117-E119 PolarHBondContact O-N 2.91Å; L117-A120 PolarHBondContact O-N 3.5Å; L117-L121 HydrophobicContact CD1-CD1 4.04Å; L117-L121 HydrophobicContact CD1-CG 4.14Å; L117-L121 HydrophobicContact CG-CD1 3.94Å; L117-L121 HydrophobicContact CG-CG 4.39Å; L117-L121 WeakPolarHBondContact O-CB 3.5Å; L117-L121 VanDerWaalsContact O-CG 3.26Å; L117-L121 WeakPolarHBondContact O-CG 3.28Å; L117-L121 PolarHBondContact O-N 2.72Å
118E90.4Very high86.7Confident112 Ų11248.3 Ų48.352%0.52325%0.245SC..Hα-helixtrans-61.1-43.8177.3-72.3-168.7174.400111.7T114 L121 N122 W151T114-E118 WeakPolarHBondContact O-CG 3.33Å; T114-E118 PolarHBondContact O-N 3.24Å; E118-L121 PolarHBondContact O-N 3.37Å; E118-N122 WeakPolarHBondContact O-CB 3.38Å; E118-N122 PolarHBondContact O-N 2.67Å; E118-W151 HydrophobicContact CG-CH2 4.05Å; E118-W151 HydrophobicContact CG-CZ2 4.36Å
119E90.8Very high86.6Confident68 Ų6850.5 Ų50.532%0.31826%0.257SS..Hα-helixtrans-62.1-44.4175.3-75.8171.2-161.400112R83 F90 D115 L116 L117 N122 W123R83-E119 IonicContact CZ-OE1 3.58Å; R83-E119 IonicContact CZ-OE2 2.73Å; R83-E119 IonicContact NE-OE1 2.94Å; R83-E119 IonicContact NE-OE2 2.94Å; R83-E119 PolarHBondContact NE-OE2 2.95Å; R83-E119 IonicContact NH2-OE1 3.46Å; R83-E119 PolarHBondContact NH2-OE1 3.43Å; R83-E119 IonicContact NH2-OE2 3.59Å; R83-E119 PolarHBondContact NH2-OE2 3.01Å; F90-E119 HydrophobicContact CD2-CB 3.88Å; F90-E119 HydrophobicContact CE2-CB 3.49Å; F90-E119 VanDerWaalsContact CE2-CB 3.49Å; F90-E119 HydrophobicContact CE2-CG 4.38Å; F90-E119 VanDerWaalsContact CE2-OE2 3.24Å; F90-E119 WeakPolarHBondContact CE2-OE2 3.33Å; F90-E119 HydrophobicContact CZ-CB 3.89Å; D115-E119 WeakPolarHBondContact O-CB 3.46Å; D115-E119 VanDerWaalsContact O-CG 3.28Å; D115-E119 WeakPolarHBondContact O-CG 3.43Å; D115-E119 PolarHBondContact O-N 2.83Å; L116-E119 PolarHBondContact O-N 3.49Å; L117-E119 PolarHBondContact O-N 2.91Å; E119-N122 PolarHBondContact O-N 3.44Å; E119-W123 VanDerWaalsContact O-CB 3.23Å; E119-W123 WeakPolarHBondContact O-CB 3.5Å; E119-W123 PolarHBondContact O-N 3.02Å
120A91.4Very high86.8Confident1 Ų149 Ų491%0.00825%0.251CS..Hα-helixtrans-65-43.1178.200000112.4F90 V101 F108 L116 L117 W123 Q124F90-A120 VanDerWaalsContact CE1-CA 3.47Å; F90-A120 HydrophobicContact CE1-CB 3.77Å; F90-A120 HydrophobicContact CZ-CB 4.13Å; V101-A120 HydrophobicContact CG1-CB 3.72Å; F108-A120 HydrophobicContact CD2-CB 4.5Å; L116-A120 WeakPolarHBondContact O-CB 3.5Å; L116-A120 PolarHBondContact O-N 3.25Å; L117-A120 PolarHBondContact O-N 3.5Å; A120-W123 PolarHBondContact O-N 2.63Å; A120-Q124 WeakPolarHBondContact O-CB 3.37Å; A120-Q124 PolarHBondContact O-N 3.25Å
121L91Very high87.2Confident4 Ų441.1 Ų41.12%0.02122%0.217CC..Hα-helixtrans-69.2-36.8176.5-69.8176.2000111.3L105 L117 E118 Q124 A125 E147 W151L105-L121 HydrophobicContact CD1-CD2 4.36Å; L117-L121 HydrophobicContact CD1-CD1 4.04Å; L117-L121 HydrophobicContact CD1-CG 4.14Å; L117-L121 HydrophobicContact CG-CD1 3.94Å; L117-L121 HydrophobicContact CG-CG 4.39Å; L117-L121 WeakPolarHBondContact O-CB 3.5Å; L117-L121 VanDerWaalsContact O-CG 3.26Å; L117-L121 WeakPolarHBondContact O-CG 3.28Å; L117-L121 PolarHBondContact O-N 2.72Å; E118-L121 PolarHBondContact O-N 3.37Å; L121-Q124 WeakPolarHBondContact O-CG 3.12Å; L121-A125 VanDerWaalsContact O-CB 3.25Å; L121-A125 WeakPolarHBondContact O-CB 3.3Å; L121-A125 PolarHBondContact O-N 3.4Å; L121-E147 HydrophobicContact CD1-CG 4.23Å; L121-E147 HydrophobicContact CD2-CG 4.47Å; L121-W151 VanDerWaalsContact C-CD1 3.47Å; L121-W151 HydrophobicContact CB-CB 4.31Å; L121-W151 HydrophobicContact CB-CD2 3.94Å; L121-W151 HydrophobicContact CB-CG 3.68Å; L121-W151 HydrophobicContact CD1-CB 4.49Å; L121-W151 HydrophobicContact CD1-CD2 4.02Å; L121-W151 HydrophobicContact CD1-CE3 4.05Å; L121-W151 HydrophobicContact CD1-CG 4.23Å; L121-W151 HydrophobicContact CG-CG 4.45Å; L121-W151 VanDerWaalsContact O-CD1 3.31Å
122N90.7Very high88Confident70 Ų7039.9 Ų39.937%0.37421%0.21SC..Hα-helixtrans-65.8-40.7173.7-175.254.9000111.7E118 E119 A125 N126 K155E118-N122 WeakPolarHBondContact O-CB 3.38Å; E118-N122 PolarHBondContact O-N 2.67Å; E119-N122 PolarHBondContact O-N 3.44Å; N122-A125 PolarHBondContact O-N 2.94Å; N122-N126 VanDerWaalsContact O-CG 3.3Å; N122-N126 PolarHBondContact O-N 3.22Å; N122-N126 PolarHBondContact O-ND2 2.95Å; N122-K155 PolarHBondContact O-NZ 3.31Å; N122-K155 PolarHBondContact OD1-NZ 2.92Å
123W91.7Very high88.2Confident5 Ų540.3 Ų40.32%0.01920%0.203CC..Hα-helixtrans-65.1-48.7176174.779.9000112.3F90 H91 P93 C97 V101 E119 A120 A125 N126 Y127 V131F90-W123 HydrophobicContact CB-CB 3.98Å; F90-W123 HydrophobicContact CB-CG 3.87Å; F90-W123 HydrophobicContact CD1-CB 3.65Å; F90-W123 HydrophobicContact CD1-CD2 4.16Å; F90-W123 AromaticContact CD1-CG 3.73Å; F90-W123 HydrophobicContact CD1-CG 3.73Å; F90-W123 HydrophobicContact CG-CB 4.12Å; F90-W123 HydrophobicContact CG-CG 4.26Å; F90-W123 PolarHBondContact O-NE1 3.05Å; H91-W123 PolarHBondContact O-NE1 3.2Å; P93-W123 HydrophobicContact CB-CH2 4.47Å; P93-W123 HydrophobicContact CB-CZ2 3.98Å; C97-W123 HydrophobicContact CB-CH2 4.4Å; C97-W123 HydrophobicContact CB-CZ2 4.19Å; V101-W123 HydrophobicContact CB-CZ3 4.34Å; V101-W123 HydrophobicContact CG1-CE3 4.41Å; V101-W123 HydrophobicContact CG1-CZ3 4.32Å; E119-W123 VanDerWaalsContact O-CB 3.23Å; E119-W123 WeakPolarHBondContact O-CB 3.5Å; E119-W123 PolarHBondContact O-N 3.02Å; A120-W123 PolarHBondContact O-N 2.63Å; W123-A125 PolarHBondContact O-N 3.08Å; W123-N126 WeakPolarHBondContact O-CB 3.43Å; W123-N126 PolarHBondContact O-N 2.88Å; W123-N126 VanDerWaalsContact O-N 3.08Å; W123-Y127 AromaticContact CD1-CD2 3.68Å; W123-Y127 AromaticContact CD1-CE2 3.91Å; W123-Y127 HydrophobicContact CG-CD2 4.39Å; W123-Y127 AromaticContact NE1-CD2 3.65Å; W123-Y127 AromaticContact NE1-CE2 3.96Å; W123-Y127 PolarHBondContact O-N 3.46Å; W123-V131 HydrophobicContact CE3-CG2 4.38Å; W123-V131 HydrophobicContact CH2-CG2 3.8Å; W123-V131 HydrophobicContact CZ2-CG2 4.48Å; W123-V131 HydrophobicContact CZ3-CG2 3.73Å
124Q90.3Very high88.2Confident4 Ų442.4 Ų42.42%0.01922%0.217CC..Hα-helixtrans-62.4-37.3177.48677.827.200110.4A120 L121 N126 Y127 F128 V131 C148A120-Q124 WeakPolarHBondContact O-CB 3.37Å; A120-Q124 PolarHBondContact O-N 3.25Å; L121-Q124 WeakPolarHBondContact O-CG 3.12Å; Q124-N126 VanDerWaalsContact C-N 3.34Å; Q124-N126 PolarHBondContact O-N 2.77Å; Q124-Y127 CarbonylContact O-C 3.37Å; Q124-Y127 PolarHBondContact O-N 3.1Å; Q124-F128 WeakPolarHBondContact O-CA 3.41Å; Q124-F128 VanDerWaalsContact O-CB 3.28Å; Q124-F128 WeakPolarHBondContact O-CB 3.07Å; Q124-F128 PolarHBondContact O-N 3.42Å; Q124-V131 HydrophobicContact CB-CG1 4.35Å; Q124-C148 PolarHBondContact NE2-O 2.9Å
125A88.2Confident88.1Confident7 Ų747.8 Ų47.86%0.05823%0.227CC..Hα-helixtrans-68.3-29.6175.700000113.3L121 N122 W123 L152 K155L121-A125 VanDerWaalsContact O-CB 3.25Å; L121-A125 WeakPolarHBondContact O-CB 3.3Å; L121-A125 PolarHBondContact O-N 3.4Å; N122-A125 PolarHBondContact O-N 2.94Å; W123-A125 PolarHBondContact O-N 3.08Å; A125-L152 HydrophobicContact CB-CD1 3.99Å; A125-K155 HydrophobicContact CB-CD 3.93Å
126N86.3Confident87.7Confident71 Ų7143.8 Ų43.838%0.3821%0.208SC..Hα-helixtrans-74.1-31.4174.8-77.6-30.9000113.1N122 W123 Q124 K155N122-N126 VanDerWaalsContact O-CG 3.3Å; N122-N126 PolarHBondContact O-N 3.22Å; N122-N126 PolarHBondContact O-ND2 2.95Å; W123-N126 WeakPolarHBondContact O-CB 3.43Å; W123-N126 PolarHBondContact O-N 2.88Å; W123-N126 VanDerWaalsContact O-N 3.08Å; Q124-N126 VanDerWaalsContact C-N 3.34Å; Q124-N126 PolarHBondContact O-N 2.77Å; N126-K155 VanDerWaalsContact CG-NZ 3.27Å; N126-K155 PolarHBondContact OD1-NZ 3.47Å
127Y86.1Confident87.5Confident82 Ų8243.7 Ų43.732%0.32221%0.208SC..SBendtrans-123.931.3-173.9-62.6-72.2000112.4Q92 P93 W123 Q124 N129 A130 V131Q92-Y127 HydrophobicContact CG-CE1 4.43Å; P93-Y127 VanDerWaalsContact CD-CD1 3.42Å; P93-Y127 VanDerWaalsContact CD-CG 3.46Å; P93-Y127 HydrophobicContact CG-CD1 4.06Å; P93-Y127 HydrophobicContact CG-CG 4.05Å; W123-Y127 AromaticContact CD1-CD2 3.68Å; W123-Y127 AromaticContact CD1-CE2 3.91Å; W123-Y127 HydrophobicContact CG-CD2 4.39Å; W123-Y127 AromaticContact NE1-CD2 3.65Å; W123-Y127 AromaticContact NE1-CE2 3.96Å; W123-Y127 PolarHBondContact O-N 3.46Å; Q124-Y127 CarbonylContact O-C 3.37Å; Q124-Y127 PolarHBondContact O-N 3.1Å; Y127-N129 PolarHBondContact O-N 3.5Å; Y127-N129 VanDerWaalsContact O-N 3.15Å; Y127-A130 PolarHBondContact O-N 2.87Å; Y127-V131 WeakPolarHBondContact O-CG2 3.37Å; Y127-V131 PolarHBondContact O-N 3.33Å
128F87.5Confident87.1Confident2 Ų246 Ų461%0.00923%0.225CC..Hα-helixtrans-59.5-34.7-172.975-87.9000110.7Q124 A130 V131 W132 L152 T164 E167 M171 L186Q124-F128 WeakPolarHBondContact O-CA 3.41Å; Q124-F128 VanDerWaalsContact O-CB 3.28Å; Q124-F128 WeakPolarHBondContact O-CB 3.07Å; Q124-F128 PolarHBondContact O-N 3.42Å; F128-A130 PolarHBondContact O-N 3.22Å; F128-V131 PolarHBondContact O-N 3.27Å; F128-W132 HydrophobicContact CB-CD2 4.4Å; F128-W132 HydrophobicContact CB-CG 4.45Å; F128-W132 VanDerWaalsContact O-CB 3.29Å; F128-W132 WeakPolarHBondContact O-CB 3.19Å; F128-W132 PolarHBondContact O-N 2.99Å; F128-L152 HydrophobicContact CB-CD2 4.1Å; F128-L152 HydrophobicContact CD1-CD1 4.37Å; F128-L152 HydrophobicContact CD1-CD2 4.27Å; F128-L152 HydrophobicContact CD2-CD2 4.21Å; F128-L152 HydrophobicContact CG-CD2 3.93Å; F128-T164 HydrophobicContact CE1-CG2 3.8Å; F128-T164 HydrophobicContact CZ-CG2 3.73Å; F128-E167 HydrophobicContact CE1-CB 4.05Å; F128-E167 WeakPolarHBondContact CE1-OE2 3.25Å; F128-E167 HydrophobicContact CE2-CB 4.16Å; F128-E167 HydrophobicContact CZ-CB 3.42Å; F128-E167 VanDerWaalsContact CZ-CB 3.42Å; F128-E167 HydrophobicContact CZ-CG 4.5Å; F128-E167 WeakPolarHBondContact CZ-OE2 3.41Å; F128-M171 HydrophobicContact CD2-SD 3.85Å; F128-M171 HydrophobicContact CE2-SD 3.7Å; F128-L186 HydrophobicContact CE2-CD2 4.38Å
129N84.3Confident86.8Confident48 Ų4847.2 Ų47.226%0.25723%0.231SC..Hα-helixtrans-55.8-33.3177.667.3-10.7000114.5Y127 R133 E167 M171Y127-N129 PolarHBondContact O-N 3.5Å; Y127-N129 VanDerWaalsContact O-N 3.15Å; N129-R133 WeakPolarHBondContact O-CD 3.43Å; N129-R133 VanDerWaalsContact O-CG 3.28Å; N129-R133 WeakPolarHBondContact O-CG 3.27Å; N129-R133 PolarHBondContact O-NE 2.95Å; N129-R133 VanDerWaalsContact O-NE 3.08Å; N129-E167 HydrophobicContact CB-CB 4.3Å; N129-E167 HydrophobicContact CB-CG 4.4Å; N129-M171 VanDerWaalsContact CA-SD 3.56Å; N129-M171 HydrophobicContact CB-SD 4.17Å
130A86.1Confident86.6Confident37 Ų3744.9 Ų44.931%0.30622%0.221SC..Hα-helixtrans-94-42177.300000111.7P93 Y127 F128 T134P93-A130 HydrophobicContact CB-CB 4.25Å; P93-A130 HydrophobicContact CG-CB 3.71Å; Y127-A130 PolarHBondContact O-N 2.87Å; F128-A130 PolarHBondContact O-N 3.22Å; A130-T134 PolarHBondContact O-OG1 3.24Å
131V87Confident86.3Confident0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-65.6-46.5-175175.20000111T98 L102 W123 Q124 Y127 F128 R133 T134 F137T98-V131 HydrophobicContact CG2-CG1 4.27Å; T98-V131 HydrophobicContact CG2-CG2 4.47Å; L102-V131 HydrophobicContact CD1-CG1 3.82Å; L102-V131 HydrophobicContact CD2-CG1 3.9Å; L102-V131 HydrophobicContact CG-CG1 4.22Å; W123-V131 HydrophobicContact CE3-CG2 4.38Å; W123-V131 HydrophobicContact CH2-CG2 3.8Å; W123-V131 HydrophobicContact CZ2-CG2 4.48Å; W123-V131 HydrophobicContact CZ3-CG2 3.73Å; Q124-V131 HydrophobicContact CB-CG1 4.35Å; Y127-V131 WeakPolarHBondContact O-CG2 3.37Å; Y127-V131 PolarHBondContact O-N 3.33Å; F128-V131 PolarHBondContact O-N 3.27Å; V131-R133 VanDerWaalsContact C-N 3.28Å; V131-R133 PolarHBondContact O-N 3.23Å; V131-T134 VanDerWaalsContact O-CB 3.28Å; V131-T134 WeakPolarHBondContact O-CB 3.35Å; V131-T134 PolarHBondContact O-N 3Å; V131-T134 VanDerWaalsContact O-N 3.08Å; V131-T134 PolarHBondContact O-OG1 2.81Å; V131-F137 HydrophobicContact CG1-CD2 4.48Å
132W86.3Confident86Confident6 Ų652.3 Ų52.32%0.02326%0.263CS..THydrogen-bonded Turntrans-71.8-22-174.6-68.718000113.5F128 T134 F137 L152 M171 V182 M185 L186 I189F128-W132 HydrophobicContact CB-CD2 4.4Å; F128-W132 HydrophobicContact CB-CG 4.45Å; F128-W132 VanDerWaalsContact O-CB 3.29Å; F128-W132 WeakPolarHBondContact O-CB 3.19Å; F128-W132 PolarHBondContact O-N 2.99Å; W132-T134 PolarHBondContact O-N 3.08Å; W132-F137 HydrophobicContact CB-CD1 4.39Å; W132-F137 AromaticContact CD1-CD2 3.81Å; W132-F137 AromaticContact CD1-CE2 3.54Å; W132-F137 AromaticContact CD1-CZ 3.83Å; W132-F137 HydrophobicContact CD2-CE1 4.29Å; W132-F137 HydrophobicContact CD2-CZ 4.06Å; W132-F137 AromaticContact CE2-CZ 3.82Å; W132-F137 HydrophobicContact CG-CD1 4.41Å; W132-F137 HydrophobicContact CG-CD2 4.39Å; W132-F137 HydrophobicContact CG-CE1 4.18Å; W132-F137 HydrophobicContact CG-CE2 4.16Å; W132-F137 HydrophobicContact CG-CZ 4.05Å; W132-F137 HydrophobicContact CZ2-CZ 4.33Å; W132-F137 AromaticContact NE1-CE2 3.55Å; W132-F137 AromaticContact NE1-CZ 3.73Å; W132-L152 HydrophobicContact CH2-CD2 4.02Å; W132-L152 HydrophobicContact CZ2-CD2 3.85Å; W132-M171 HydrophobicContact CB-CE 3.65Å; W132-M171 HydrophobicContact CE3-CE 4.47Å; W132-V182 HydrophobicContact CB-CG1 4.38Å; W132-V182 HydrophobicContact CE3-CG1 4.3Å; W132-M185 HydrophobicContact CH2-CB 4.46Å; W132-M185 HydrophobicContact CH2-CE 3.88Å; W132-M185 HydrophobicContact CZ2-CE 4.36Å; W132-M185 HydrophobicContact CZ3-CB 4.12Å; W132-M185 HydrophobicContact CZ3-CE 4.37Å; W132-L186 HydrophobicContact CE3-CD2 3.68Å; W132-L186 HydrophobicContact CE3-CG 4.08Å; W132-L186 HydrophobicContact CZ3-CD2 3.76Å; W132-L186 HydrophobicContact CZ3-CG 4.12Å; W132-I189 HydrophobicContact CH2-CD1 3.21Å; W132-I189 HydrophobicContact CZ2-CD1 4.21Å; W132-I189 HydrophobicContact CZ3-CD1 3.61Å
133R84Confident85.7Confident118 Ų11855.2 Ų55.245%0.44528%0.279SS..THydrogen-bonded Turntrans-74.3-13.2173.5-65.7-179.4-173-165.7-1.6112.8N129 V131 M171N129-R133 WeakPolarHBondContact O-CD 3.43Å; N129-R133 VanDerWaalsContact O-CG 3.28Å; N129-R133 WeakPolarHBondContact O-CG 3.27Å; N129-R133 PolarHBondContact O-NE 2.95Å; N129-R133 VanDerWaalsContact O-NE 3.08Å; V131-R133 VanDerWaalsContact C-N 3.28Å; V131-R133 PolarHBondContact O-N 3.23Å; R133-M171 HydrophobicContact CG-CE 4.08Å
134T84.9Confident85.4Confident47 Ų4755.5 Ų55.529%0.28828%0.28SS..SBendtrans-82.2142-174.5-55.70000110.6T98 A130 V131 W132 A136 F137T98-T134 HydrophobicContact CG2-CG2 3.91Å; A130-T134 PolarHBondContact O-OG1 3.24Å; V131-T134 VanDerWaalsContact O-CB 3.28Å; V131-T134 WeakPolarHBondContact O-CB 3.35Å; V131-T134 PolarHBondContact O-N 3Å; V131-T134 VanDerWaalsContact O-N 3.08Å; V131-T134 PolarHBondContact O-OG1 2.81Å; W132-T134 PolarHBondContact O-N 3.08Å; T134-A136 HydrophobicContact CG2-CB 4.05Å; T134-A136 PolarHBondContact O-N 2.98Å; T134-A136 VanDerWaalsContact O-N 3.13Å; T134-F137 WeakPolarHBondContact O-CB 3.34Å; T134-F137 PolarHBondContact O-N 3.36Å
135R83.2Confident85.3Confident196 Ų19655.9 Ų55.974%0.7428%0.283SS*.Hα-helixtrans-55.6-31.6176.6-173.8175.7-178.2158.52113.1F137 S138 Q139R135-F137 PolarHBondContact O-N 3.16Å; R135-S138 PolarHBondContact O-N 3.36Å; R135-S138 VanDerWaalsContact O-N 3.13Å; R135-S138 PolarHBondContact O-OG 2.66Å; R135-Q139 PolarHBondContact O-N 3.42Å
136A81.9Confident85.2Confident15 Ų1559.7 Ų59.712%0.12430%0.302CS..Hα-helixtrans-57.8-33.8175.600000112.7L102 T134 Q139L102-A136 HydrophobicContact CB-CB 4.25Å; L102-A136 HydrophobicContact CD1-CB 3.83Å; T134-A136 HydrophobicContact CG2-CB 4.05Å; T134-A136 PolarHBondContact O-N 2.98Å; T134-A136 VanDerWaalsContact O-N 3.13Å; A136-Q139 PolarHBondContact O-N 2.9Å
137F84.9Confident85.2Confident3 Ų358.7 Ų58.71%0.01330%0.295CS..Hα-helixtrans-70.1-38.5176.8-166.4-94.1000111.8L102 V131 W132 T134 R135 Q139 L140 V145 C148 V182 M185L102-F137 HydrophobicContact CD1-CB 3.99Å; L102-F137 HydrophobicContact CD1-CD2 4.28Å; L102-F137 HydrophobicContact CD2-CD2 4.28Å; V131-F137 HydrophobicContact CG1-CD2 4.48Å; W132-F137 HydrophobicContact CB-CD1 4.39Å; W132-F137 AromaticContact CD1-CD2 3.81Å; W132-F137 AromaticContact CD1-CE2 3.54Å; W132-F137 AromaticContact CD1-CZ 3.83Å; W132-F137 HydrophobicContact CD2-CE1 4.29Å; W132-F137 HydrophobicContact CD2-CZ 4.06Å; W132-F137 AromaticContact CE2-CZ 3.82Å; W132-F137 HydrophobicContact CG-CD1 4.41Å; W132-F137 HydrophobicContact CG-CD2 4.39Å; W132-F137 HydrophobicContact CG-CE1 4.18Å; W132-F137 HydrophobicContact CG-CE2 4.16Å; W132-F137 HydrophobicContact CG-CZ 4.05Å; W132-F137 HydrophobicContact CZ2-CZ 4.33Å; W132-F137 AromaticContact NE1-CE2 3.55Å; W132-F137 AromaticContact NE1-CZ 3.73Å; T134-F137 WeakPolarHBondContact O-CB 3.34Å; T134-F137 PolarHBondContact O-N 3.36Å; R135-F137 PolarHBondContact O-N 3.16Å; F137-Q139 PolarHBondContact O-N 3.13Å; F137-Q139 VanDerWaalsContact O-N 3.13Å; F137-L140 HydrophobicContact CB-CD1 4.49Å; F137-L140 HydrophobicContact CD2-CD1 3.45Å; F137-L140 VanDerWaalsContact CD2-CD1 3.45Å; F137-L140 HydrophobicContact CE2-CD1 3.72Å; F137-L140 HydrophobicContact CG-CD1 4Å; F137-L140 HydrophobicContact CZ-CD1 4.46Å; F137-L140 WeakPolarHBondContact O-CB 3.18Å; F137-L140 WeakPolarHBondContact O-CG 3.11Å; F137-L140 PolarHBondContact O-N 3.34Å; F137-V145 HydrophobicContact CE1-CG1 4.33Å; F137-V145 HydrophobicContact CZ-CG1 4.35Å; F137-C148 HydrophobicContact CE2-CB 4.31Å; F137-V182 HydrophobicContact CD1-CG2 3.79Å; F137-V182 HydrophobicContact CE1-CG2 3.94Å; F137-M185 HydrophobicContact CE1-SD 4.5Å; F137-M185 HydrophobicContact CZ-CE 4.4Å
138S82.6Confident85.3Confident70 Ų7054.8 Ų54.849%0.4928%0.279SS..Hα-helixtrans-66.4-11.9176.469.40000114.7R135R135-S138 PolarHBondContact O-N 3.36Å; R135-S138 VanDerWaalsContact O-N 3.13Å; R135-S138 PolarHBondContact O-OG 2.66Å
139Q84Confident85.3Confident138 Ų13856.7 Ų56.765%0.64529%0.287SS*.THydrogen-bonded Turntrans-98.9-3.6179.2-68178-24.400113.1R135 A136 F137R135-Q139 PolarHBondContact O-N 3.42Å; A136-Q139 PolarHBondContact O-N 2.9Å; F137-Q139 PolarHBondContact O-N 3.13Å; F137-Q139 VanDerWaalsContact O-N 3.13Å
140L85.2Confident85.5Confident19 Ų1959.8 Ų59.810%0.09930%0.3CS..SBendtrans-67.8153.8176-64.9173.2000110.7L102 F137 Q144 V145L102-L140 HydrophobicContact CB-CD2 4.18Å; L102-L140 HydrophobicContact CD2-CD1 4.17Å; L102-L140 WeakPolarHBondContact O-CD2 3.16Å; F137-L140 HydrophobicContact CB-CD1 4.49Å; F137-L140 HydrophobicContact CD2-CD1 3.45Å; F137-L140 VanDerWaalsContact CD2-CD1 3.45Å; F137-L140 HydrophobicContact CE2-CD1 3.72Å; F137-L140 HydrophobicContact CG-CD1 4Å; F137-L140 HydrophobicContact CZ-CD1 4.46Å; F137-L140 WeakPolarHBondContact O-CB 3.18Å; F137-L140 WeakPolarHBondContact O-CG 3.11Å; F137-L140 PolarHBondContact O-N 3.34Å; L140-Q144 HydrophobicContact CB-CB 4.34Å; L140-V145 HydrophobicContact CB-CG2 3.61Å; L140-V145 HydrophobicContact CD1-CG2 4.3Å
141S85.7Confident85.6Confident34 Ų3461 Ų6124%0.23830%0.297CS..  trans-77.2154.7169.3530000111.5K106 D143 Q144 V145K106-S141 WeakPolarHBondContact CE-OG 3.19Å; K106-S141 VanDerWaalsContact NZ-CB 3.35Å; K106-S141 PolarHBondContact NZ-OG 3.21Å; S141-D143 PolarHBondContact O-N 2.89Å; S141-D143 VanDerWaalsContact O-N 3.11Å; S141-Q144 VanDerWaalsContact N-OE1 3.15Å; S141-Q144 WeakPolarHBondContact O-CB 3.22Å; S141-Q144 PolarHBondContact O-N 2.87Å; S141-Q144 PolarHBondContact OG-OE1 2.79Å; S141-V145 WeakPolarHBondContact O-CG2 3.24Å; S141-V145 PolarHBondContact O-N 3.38Å; S141-V145 VanDerWaalsContact O-N 3.13Å
142D84.2Confident85.7Confident127 Ų12761.2 Ų61.268%0.67930%0.298SS*.Hα-helixtrans-50.6-39.3-179.1-60-15.4000113Q144 V145 L146D142-Q144 PolarHBondContact O-N 3.37Å; D142-V145 PolarHBondContact O-N 3.21Å; D142-L146 WeakPolarHBondContact O-CB 3.45Å; D142-L146 PolarHBondContact O-N 2.84Å
143D86.2Confident85.7Confident131 Ų13162.4 Ų62.470%0.70131%0.307SS*.Hα-helixtrans-59.9-41.5176.9-60.8-27.7000113.2S141 L146 E147S141-D143 PolarHBondContact O-N 2.89Å; S141-D143 VanDerWaalsContact O-N 3.11Å; D143-L146 PolarHBondContact O-N 3.07Å; D143-E147 PolarHBondContact O-N 2.91Å
144Q85.4Confident85.9Confident10 Ų1064.6 Ų64.65%0.04732%0.319CS..Hα-helixtrans-74.2-36.8-178.9-62.1179.6-78.300111.5L105 K106 L140 S141 D142 L146 E147 C148L105-Q144 HydrophobicContact CD2-CB 4.12Å; K106-Q144 VanDerWaalsContact CE-CD 3.46Å; K106-Q144 HydrophobicContact CG-CG 3.98Å; L140-Q144 HydrophobicContact CB-CB 4.34Å; S141-Q144 VanDerWaalsContact N-OE1 3.15Å; S141-Q144 WeakPolarHBondContact O-CB 3.22Å; S141-Q144 PolarHBondContact O-N 2.87Å; S141-Q144 PolarHBondContact OG-OE1 2.79Å; D142-Q144 PolarHBondContact O-N 3.37Å; Q144-L146 VanDerWaalsContact C-N 3.3Å; Q144-E147 PolarHBondContact O-N 3.43Å; Q144-C148 PolarHBondContact O-N 3.06Å; Q144-C148 PolarHBondContact O-SG 3.13Å
145V86.5Confident85.9Confident12 Ų1264.8 Ų64.87%0.07332%0.316CS..Hα-helixtrans-63.3-43.1176173.10000109.3F137 L140 S141 D142 C148 Y149 V181 M185F137-V145 HydrophobicContact CE1-CG1 4.33Å; F137-V145 HydrophobicContact CZ-CG1 4.35Å; L140-V145 HydrophobicContact CB-CG2 3.61Å; L140-V145 HydrophobicContact CD1-CG2 4.3Å; S141-V145 WeakPolarHBondContact O-CG2 3.24Å; S141-V145 PolarHBondContact O-N 3.38Å; S141-V145 VanDerWaalsContact O-N 3.13Å; D142-V145 PolarHBondContact O-N 3.21Å; V145-C148 PolarHBondContact O-N 3.1Å; V145-Y149 PolarHBondContact O-N 3.28Å; V145-V181 HydrophobicContact CG1-CG1 4.38Å; V145-M185 HydrophobicContact CB-CE 4.46Å; V145-M185 HydrophobicContact CG1-CE 3.26Å; V145-M185 HydrophobicContact CG1-SD 3.08Å; V145-M185 WeakPolarHBondContact CG1-SD 3.31Å; V145-M185 VanDerWaalsContact O-CE 3.27Å; V145-M185 WeakPolarHBondContact O-CE 3.18Å
146L87.5Confident85.8Confident88 Ų8856.3 Ų56.346%0.46129%0.286SS..Hα-helixtrans-63.9-42.4174.3-175.964.4000112.1D142 D143 Q144 Y149 Q150D142-L146 WeakPolarHBondContact O-CB 3.45Å; D142-L146 PolarHBondContact O-N 2.84Å; D143-L146 PolarHBondContact O-N 3.07Å; Q144-L146 VanDerWaalsContact C-N 3.3Å; L146-Y149 HydrophobicContact CD1-CD1 4.17Å; L146-Y149 WeakPolarHBondContact O-CB 3.25Å; L146-Y149 PolarHBondContact O-N 3.29Å; L146-Q150 HydrophobicContact CD1-CG 4.39Å; L146-Q150 HydrophobicContact CG-CG 4.39Å; L146-Q150 WeakPolarHBondContact O-CB 3.4Å; L146-Q150 WeakPolarHBondContact O-CG 3.26Å; L146-Q150 PolarHBondContact O-N 2.98Å
147E86.3Confident85.8Confident49 Ų4959 Ų5923%0.22930%0.298CS..Hα-helixtrans-61.5-44.1176.4-170.8174-164.100111.7T109 L121 D143 Q144 Y149 Q150 W151T109-E147 PolarHBondContact OG1-OE2 3.47Å; L121-E147 HydrophobicContact CD1-CG 4.23Å; L121-E147 HydrophobicContact CD2-CG 4.47Å; D143-E147 PolarHBondContact O-N 2.91Å; Q144-E147 PolarHBondContact O-N 3.43Å; E147-Y149 VanDerWaalsContact C-N 3.31Å; E147-Y149 PolarHBondContact O-N 3.41Å; E147-Q150 PolarHBondContact O-N 2.92Å; E147-W151 WeakPolarHBondContact O-CB 2.9Å; E147-W151 PolarHBondContact O-N 3.34Å
148C87.8Confident85.4Confident0 Ų059.3 Ų59.30%030%0.301CS..Hα-helixtrans-60-40.6174-68.80000112.1Q124 F137 Q144 V145 L152Q124-C148 PolarHBondContact NE2-O 2.9Å; F137-C148 HydrophobicContact CE2-CB 4.31Å; Q144-C148 PolarHBondContact O-N 3.06Å; Q144-C148 PolarHBondContact O-SG 3.13Å; V145-C148 PolarHBondContact O-N 3.1Å; C148-L152 WeakPolarHBondContact O-CB 3.26Å; C148-L152 PolarHBondContact O-N 3.2Å; C148-L152 VanDerWaalsContact O-N 3.09Å
149Y87.5Confident85.2Confident43 Ų4361 Ų6117%0.16930%0.304CS..Hα-helixtrans-66.2-49.1176.2165.3-97.5000112.4V145 L146 E147 W151 L152 S153 M185 Q188 I189V145-Y149 PolarHBondContact O-N 3.28Å; L146-Y149 HydrophobicContact CD1-CD1 4.17Å; L146-Y149 WeakPolarHBondContact O-CB 3.25Å; L146-Y149 PolarHBondContact O-N 3.29Å; E147-Y149 VanDerWaalsContact C-N 3.31Å; E147-Y149 PolarHBondContact O-N 3.41Å; Y149-W151 VanDerWaalsContact C-N 3.26Å; Y149-W151 PolarHBondContact O-N 3.45Å; Y149-L152 PolarHBondContact O-N 3.47Å; Y149-S153 WeakPolarHBondContact O-CB 3.31Å; Y149-S153 PolarHBondContact O-N 3.24Å; Y149-M185 HydrophobicContact CG-CE 4.48Å; Y149-Q188 HydrophobicContact CE2-CB 3.94Å; Y149-I189 HydrophobicContact CD2-CD1 3.88Å; Y149-I189 HydrophobicContact CD2-CG1 3.6Å; Y149-I189 HydrophobicContact CE2-CD1 4.32Å; Y149-I189 HydrophobicContact CE2-CG1 3.52Å
150Q88.9Confident85.2Confident112 Ų11256 Ų5652%0.52328%0.282SS..Hα-helixtrans-60.4-39.6179.7-73.4177.71.500111L146 E147 S153 K154L146-Q150 HydrophobicContact CD1-CG 4.39Å; L146-Q150 HydrophobicContact CG-CG 4.39Å; L146-Q150 WeakPolarHBondContact O-CB 3.4Å; L146-Q150 WeakPolarHBondContact O-CG 3.26Å; L146-Q150 PolarHBondContact O-N 2.98Å; E147-Q150 PolarHBondContact O-N 2.92Å; Q150-S153 PolarHBondContact O-N 3.16Å; Q150-K154 WeakPolarHBondContact O-CB 3.25Å; Q150-K154 PolarHBondContact O-N 3.45Å
151W87.9Confident85.2Confident64 Ų6455 Ų5524%0.24228%0.277CS..Hα-helixtrans-66.3-44.6176.8-159.9-99.7000112.7E118 L121 E147 Y149 S153 K154 K155E118-W151 HydrophobicContact CG-CH2 4.05Å; E118-W151 HydrophobicContact CG-CZ2 4.36Å; L121-W151 VanDerWaalsContact C-CD1 3.47Å; L121-W151 HydrophobicContact CB-CB 4.31Å; L121-W151 HydrophobicContact CB-CD2 3.94Å; L121-W151 HydrophobicContact CB-CG 3.68Å; L121-W151 HydrophobicContact CD1-CB 4.49Å; L121-W151 HydrophobicContact CD1-CD2 4.02Å; L121-W151 HydrophobicContact CD1-CE3 4.05Å; L121-W151 HydrophobicContact CD1-CG 4.23Å; L121-W151 HydrophobicContact CG-CG 4.45Å; L121-W151 VanDerWaalsContact O-CD1 3.31Å; E147-W151 WeakPolarHBondContact O-CB 2.9Å; E147-W151 PolarHBondContact O-N 3.34Å; Y149-W151 VanDerWaalsContact C-N 3.26Å; Y149-W151 PolarHBondContact O-N 3.45Å; W151-S153 VanDerWaalsContact C-N 3.34Å; W151-K154 PolarHBondContact O-N 2.99Å; W151-K155 WeakPolarHBondContact O-CB 3.03Å; W151-K155 PolarHBondContact O-N 2.85Å
152L88.5Confident85.1Confident4 Ų453.5 Ų53.52%0.02127%0.266CS..Hα-helixtrans-62.3-43.9176.2-179.153.4000110.9A125 F128 W132 C148 Y149 K154 K155 L156 T164 I189A125-L152 HydrophobicContact CB-CD1 3.99Å; F128-L152 HydrophobicContact CB-CD2 4.1Å; F128-L152 HydrophobicContact CD1-CD1 4.37Å; F128-L152 HydrophobicContact CD1-CD2 4.27Å; F128-L152 HydrophobicContact CD2-CD2 4.21Å; F128-L152 HydrophobicContact CG-CD2 3.93Å; W132-L152 HydrophobicContact CH2-CD2 4.02Å; W132-L152 HydrophobicContact CZ2-CD2 3.85Å; C148-L152 WeakPolarHBondContact O-CB 3.26Å; C148-L152 PolarHBondContact O-N 3.2Å; C148-L152 VanDerWaalsContact O-N 3.09Å; Y149-L152 PolarHBondContact O-N 3.47Å; L152-K154 PolarHBondContact O-N 2.85Å; L152-K155 PolarHBondContact O-N 3.34Å; L152-L156 PolarHBondContact O-N 3.17Å; L152-T164 HydrophobicContact CD1-CG2 4.41Å; L152-I189 HydrophobicContact CD2-CD1 3.51Å; L152-I189 HydrophobicContact CG-CD1 4.2Å
153S86.4Confident85.1Confident31 Ų3151.7 Ų51.722%0.21725%0.252CS..Hα-helixtrans-61.2-42.1176-175.90000112.5Y149 Q150 W151 K155 L156Y149-S153 WeakPolarHBondContact O-CB 3.31Å; Y149-S153 PolarHBondContact O-N 3.24Å; Q150-S153 PolarHBondContact O-N 3.16Å; W151-S153 VanDerWaalsContact C-N 3.34Å; S153-K155 VanDerWaalsContact C-N 3.29Å; S153-K155 PolarHBondContact O-N 3.09Å; S153-L156 WeakPolarHBondContact O-CB 2.94Å; S153-L156 PolarHBondContact O-N 3.41Å
154K87.9Confident85Confident163 Ų16345.9 Ų45.971%0.70922%0.222SC*.Hα-helixtrans-64.9-32.8176.2-175.5-179.6177.9-173.50112.7Q150 W151 L152 L156Q150-K154 WeakPolarHBondContact O-CB 3.25Å; Q150-K154 PolarHBondContact O-N 3.45Å; W151-K154 PolarHBondContact O-N 2.99Å; L152-K154 PolarHBondContact O-N 2.85Å; K154-L156 VanDerWaalsContact C-N 3.32Å
155K85.3Confident85Confident51 Ų5145.7 Ų45.722%0.22222%0.221CC..Hα-helixtrans-79-14.8-179.4-171.3169.4173-179.40113N122 A125 N126 W151 L152 S153 N157 N160N122-K155 PolarHBondContact O-NZ 3.31Å; N122-K155 PolarHBondContact OD1-NZ 2.92Å; A125-K155 HydrophobicContact CB-CD 3.93Å; N126-K155 VanDerWaalsContact CG-NZ 3.27Å; N126-K155 PolarHBondContact OD1-NZ 3.47Å; W151-K155 WeakPolarHBondContact O-CB 3.03Å; W151-K155 PolarHBondContact O-N 2.85Å; L152-K155 PolarHBondContact O-N 3.34Å; S153-K155 VanDerWaalsContact C-N 3.29Å; S153-K155 PolarHBondContact O-N 3.09Å; K155-N157 PolarHBondContact O-N 3.37Å; K155-N160 PolarHBondContact O-ND2 2.83Å
156L82.2Confident84.9Confident19 Ų1945.2 Ų45.210%0.09922%0.218CC..  trans-58.1120.7178.3-70.8173.7000110.6L152 S153 K154 N160 V161 T164 R192L152-L156 PolarHBondContact O-N 3.17Å; S153-L156 WeakPolarHBondContact O-CB 2.94Å; S153-L156 PolarHBondContact O-N 3.41Å; K154-L156 VanDerWaalsContact C-N 3.32Å; L156-N160 WeakPolarHBondContact CA-OD1 3.36Å; L156-V161 HydrophobicContact CB-CG2 3.99Å; L156-V161 HydrophobicContact CD2-CG2 4.07Å; L156-T164 HydrophobicContact CD2-CG2 3.86Å; L156-R192 HydrophobicContact CD1-CB 4.43Å; L156-R192 HydrophobicContact CD1-CG 4Å
157N81.9Confident84.8Confident72 Ų7242.5 Ų42.539%0.38520%0.202SC..  trans-137.8163.7176.967.921000109.8K155 N159 N160 V161K155-N157 PolarHBondContact O-N 3.37Å; N157-N159 PolarHBondContact O-N 3.48Å; N157-N159 PolarHBondContact OD1-N 3.01Å; N157-N159 VanDerWaalsContact OD1-N 3.16Å; N157-N160 PolarHBondContact N-OD1 3.46Å; N157-N160 PolarHBondContact O-N 3.39Å; N157-N160 PolarHBondContact O-OD1 3.36Å; N157-N160 WeakPolarHBondContact OD1-CB 3.33Å; N157-N160 PolarHBondContact OD1-N 2.8Å; N157-N160 PolarHBondContact OD1-ND2 2.9Å; N157-N160 PolarHBondContact OD1-OD1 3.42Å; N157-V161 WeakPolarHBondContact O-CB 3.14Å; N157-V161 WeakPolarHBondContact O-CG2 3.31Å; N157-V161 PolarHBondContact O-N 2.87Å
158A75.6Confident84.7Confident8 Ų840.1 Ų40.17%0.06619%0.191CC..THydrogen-bonded Turntrans-52.9-26.2-178.200000114.9E200 N203 V204A158-E200 HydrophobicContact CB-CB 4.43Å; A158-N203 HydrophobicContact CB-CB 3.42Å; A158-N203 VanDerWaalsContact CB-CB 3.42Å; A158-V204 HydrophobicContact CB-CG2 4.01Å
159N79.5Confident84.5Confident105 Ų10542.2 Ų42.256%0.56120%0.201SC*.THydrogen-bonded Turntrans-81.8-30.5-179.4-68.1-29.2000113.8N157N157-N159 PolarHBondContact O-N 3.48Å; N157-N159 PolarHBondContact OD1-N 3.01Å; N157-N159 VanDerWaalsContact OD1-N 3.16Å
160N83.6Confident84.4Confident33 Ų3342.5 Ų42.518%0.17621%0.206CC..THydrogen-bonded Turntrans-104.8-17.4-176.369.622000113.6K155 L156 N157 L162 K163 T164K155-N160 PolarHBondContact O-ND2 2.83Å; L156-N160 WeakPolarHBondContact CA-OD1 3.36Å; N157-N160 PolarHBondContact N-OD1 3.46Å; N157-N160 PolarHBondContact O-N 3.39Å; N157-N160 PolarHBondContact O-OD1 3.36Å; N157-N160 WeakPolarHBondContact OD1-CB 3.33Å; N157-N160 PolarHBondContact OD1-N 2.8Å; N157-N160 PolarHBondContact OD1-ND2 2.9Å; N157-N160 PolarHBondContact OD1-OD1 3.42Å; N160-L162 VanDerWaalsContact C-N 3.33Å; N160-L162 PolarHBondContact O-N 2.93Å; N160-K163 PolarHBondContact O-N 2.66Å; N160-K163 VanDerWaalsContact O-N 3.1Å; N160-T164 PolarHBondContact O-N 3.02Å; N160-T164 PolarHBondContact O-OG1 3.02Å; N160-T164 VanDerWaalsContact O-OG1 3.07Å
161V84.8Confident84Confident0 Ų037.2 Ų37.20%018%0.181CC..Hα-helixtrans-58.4-42.5-173165.40000112.1L156 N157 T164 F165 C193 V196 M197L156-V161 HydrophobicContact CB-CG2 3.99Å; L156-V161 HydrophobicContact CD2-CG2 4.07Å; N157-V161 WeakPolarHBondContact O-CB 3.14Å; N157-V161 WeakPolarHBondContact O-CG2 3.31Å; N157-V161 PolarHBondContact O-N 2.87Å; V161-T164 PolarHBondContact O-N 3.16Å; V161-F165 VanDerWaalsContact O-CB 3.22Å; V161-F165 WeakPolarHBondContact O-CB 3.48Å; V161-F165 PolarHBondContact O-N 3.06Å; V161-C193 HydrophobicContact CG1-CB 4Å; V161-V196 HydrophobicContact CG2-CB 4.11Å; V161-V196 HydrophobicContact CG2-CG1 3.61Å; V161-M197 HydrophobicContact CG1-CG 3.42Å; V161-M197 VanDerWaalsContact CG1-CG 3.42Å; V161-M197 HydrophobicContact CG1-SD 4.24Å
162L82.5Confident83.8Confident1 Ų136.8 Ų36.81%0.00518%0.183CC..Hα-helixtrans-62.7-44.7176.9-77.3173000112.5N160 F165 I166 M197 V204 Y209 F210 L224 F228N160-L162 VanDerWaalsContact C-N 3.33Å; N160-L162 PolarHBondContact O-N 2.93Å; L162-F165 PolarHBondContact O-N 3.45Å; L162-I166 WeakPolarHBondContact O-CG1 3.26Å; L162-I166 PolarHBondContact O-N 3.08Å; L162-M197 HydrophobicContact CD2-SD 3.85Å; L162-V204 HydrophobicContact CD1-CG1 3.38Å; L162-V204 HydrophobicContact CD2-CG1 3.95Å; L162-V204 HydrophobicContact CG-CG1 3.43Å; L162-V204 VanDerWaalsContact CG-CG1 3.43Å; L162-Y209 HydrophobicContact CB-CD1 3.8Å; L162-Y209 HydrophobicContact CB-CE1 4.12Å; L162-F210 HydrophobicContact CD1-CB 3.78Å; L162-F210 HydrophobicContact CD1-CD2 3.9Å; L162-F210 HydrophobicContact CD1-CG 4.23Å; L162-L224 HydrophobicContact CD2-CD2 4.21Å; L162-L224 HydrophobicContact CD2-CG 4.48Å; L162-F228 HydrophobicContact CD2-CE1 3.83Å; L162-F228 HydrophobicContact CD2-CZ 3.87Å
163K84.8Confident83.4Confident89 Ų8942.5 Ų42.539%0.38721%0.208SC..Hα-helixtrans-62.8-48.3178.7-178.9-178173-175.70110.6N160 F165 I166 E167 Y209N160-K163 PolarHBondContact O-N 2.66Å; N160-K163 VanDerWaalsContact O-N 3.1Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 3.25Å; K163-I166 PolarHBondContact O-N 3.16Å; K163-E167 WeakPolarHBondContact CE-OE1 3.46Å; K163-E167 WeakPolarHBondContact O-CB 3.37Å; K163-E167 WeakPolarHBondContact O-CG 3.21Å; K163-E167 PolarHBondContact O-N 3.32Å; K163-Y209 HydrophobicContact CB-CD1 4.18Å; K163-Y209 HydrophobicContact CB-CD2 4.25Å; K163-Y209 HydrophobicContact CB-CE1 3.95Å; K163-Y209 HydrophobicContact CB-CE2 4.02Å; K163-Y209 HydrophobicContact CB-CG 4.31Å; K163-Y209 HydrophobicContact CD-CE2 4.36Å; K163-Y209 HydrophobicContact CG-CE2 4.03Å
164T84.3Confident83Confident10 Ų1043.8 Ų43.86%0.06122%0.216CC..Hα-helixtrans-61.5-43.2178.1-54.30000111.1F128 L152 L156 N160 V161 E167 C168 I189F128-T164 HydrophobicContact CE1-CG2 3.8Å; F128-T164 HydrophobicContact CZ-CG2 3.73Å; L152-T164 HydrophobicContact CD1-CG2 4.41Å; L156-T164 HydrophobicContact CD2-CG2 3.86Å; N160-T164 PolarHBondContact O-N 3.02Å; N160-T164 PolarHBondContact O-OG1 3.02Å; N160-T164 VanDerWaalsContact O-OG1 3.07Å; V161-T164 PolarHBondContact O-N 3.16Å; T164-E167 PolarHBondContact O-N 3.37Å; T164-C168 WeakPolarHBondContact O-CB 3.44Å; T164-C168 PolarHBondContact O-N 3.31Å; T164-C168 PolarHBondContact O-SG 2.78Å; T164-I189 HydrophobicContact CG2-CG2 4.04Å
165F85.8Confident81.9Confident6 Ų639.2 Ų39.23%0.02621%0.205CC..Hα-helixtrans-60.5-50.3178.7-178.7-95.5000112V161 L162 K163 E167 C168 E169 C193 V194 M197 V227V161-F165 VanDerWaalsContact O-CB 3.22Å; V161-F165 WeakPolarHBondContact O-CB 3.48Å; V161-F165 PolarHBondContact O-N 3.06Å; L162-F165 PolarHBondContact O-N 3.45Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 3.25Å; F165-E167 VanDerWaalsContact C-N 3.32Å; F165-E167 PolarHBondContact O-N 3.33Å; F165-C168 WeakPolarHBondContact O-CB 3.31Å; F165-C168 PolarHBondContact O-N 3.19Å; F165-E169 HydrophobicContact CD1-CG 4.3Å; F165-E169 HydrophobicContact CE1-CG 3.7Å; F165-E169 HydrophobicContact CE2-CG 4.35Å; F165-E169 HydrophobicContact CZ-CG 3.7Å; F165-E169 PolarHBondContact O-N 3.35Å; F165-C193 HydrophobicContact CB-CB 4.09Å; F165-C193 HydrophobicContact CD2-CB 3.85Å; F165-C193 HydrophobicContact CG-CB 4.44Å; F165-V194 HydrophobicContact CD2-CG2 4.48Å; F165-V194 HydrophobicContact CE2-CG2 3.93Å; F165-M197 HydrophobicContact CD2-CE 4.11Å; F165-M197 HydrophobicContact CG-CE 4.17Å; F165-V227 HydrophobicContact CE1-CB 4.2Å; F165-V227 HydrophobicContact CE1-CG1 4.16Å; F165-V227 HydrophobicContact CE1-CG2 3.69Å; F165-V227 HydrophobicContact CE2-CG1 4.33Å; F165-V227 HydrophobicContact CE2-CG2 4.47Å; F165-V227 HydrophobicContact CZ-CB 4.1Å; F165-V227 HydrophobicContact CZ-CG1 3.83Å; F165-V227 HydrophobicContact CZ-CG2 3.38Å
166I84.4Confident80.7Confident2 Ų248.1 Ų48.11%0.0124%0.237CC..Hα-helixtrans-61-42.9177.2-75.3162.1000110.9L162 K163 C168 E169 N170 Y209 M213 D220 L224L162-I166 WeakPolarHBondContact O-CG1 3.26Å; L162-I166 PolarHBondContact O-N 3.08Å; K163-I166 PolarHBondContact O-N 3.16Å; I166-C168 PolarHBondContact O-N 3.24Å; I166-E169 PolarHBondContact O-N 3.01Å; I166-N170 WeakPolarHBondContact CG2-ND2 3.42Å; I166-N170 VanDerWaalsContact O-CB 3.27Å; I166-N170 WeakPolarHBondContact O-CB 3.49Å; I166-N170 VanDerWaalsContact O-CG 3.24Å; I166-N170 PolarHBondContact O-N 3.34Å; I166-N170 PolarHBondContact O-ND2 3.44Å; I166-Y209 HydrophobicContact CD1-CE1 3.91Å; I166-M213 HydrophobicContact CD1-CE 3.58Å; I166-D220 HydrophobicContact CD1-CB 4.28Å; I166-D220 HydrophobicContact CG1-CB 4.11Å; I166-D220 HydrophobicContact CG2-CB 3.63Å; I166-D220 WeakPolarHBondContact CG2-OD2 3.5Å; I166-L224 HydrophobicContact CD1-CD1 3.62Å; I166-L224 HydrophobicContact CG1-CD1 3.64Å
167E84.4Confident79.7Confident30 Ų3054.6 Ų54.614%0.1427%0.272CS..Hα-helixtrans-64.2-39.7177.6-77.1177.6-175.900112F128 N129 K163 T164 F165 N170 M171F128-E167 HydrophobicContact CE1-CB 4.05Å; F128-E167 WeakPolarHBondContact CE1-OE2 3.25Å; F128-E167 HydrophobicContact CE2-CB 4.16Å; F128-E167 HydrophobicContact CZ-CB 3.42Å; F128-E167 VanDerWaalsContact CZ-CB 3.42Å; F128-E167 HydrophobicContact CZ-CG 4.5Å; F128-E167 WeakPolarHBondContact CZ-OE2 3.41Å; N129-E167 HydrophobicContact CB-CB 4.3Å; N129-E167 HydrophobicContact CB-CG 4.4Å; K163-E167 WeakPolarHBondContact CE-OE1 3.46Å; K163-E167 WeakPolarHBondContact O-CB 3.37Å; K163-E167 WeakPolarHBondContact O-CG 3.21Å; K163-E167 PolarHBondContact O-N 3.32Å; T164-E167 PolarHBondContact O-N 3.37Å; F165-E167 VanDerWaalsContact C-N 3.32Å; F165-E167 PolarHBondContact O-N 3.33Å; E167-N170 PolarHBondContact O-N 2.93Å; E167-M171 WeakPolarHBondContact O-CB 3.35Å; E167-M171 WeakPolarHBondContact O-CG 3.22Å; E167-M171 PolarHBondContact O-N 3.1Å
168C85.1Confident78.9Confident0 Ų052.8 Ų52.80%026%0.261CS..Hα-helixtrans-61.1-50172.3-73.20000111.6T164 F165 I166 N170 M171 I172 L186T164-C168 WeakPolarHBondContact O-CB 3.44Å; T164-C168 PolarHBondContact O-N 3.31Å; T164-C168 PolarHBondContact O-SG 2.78Å; F165-C168 WeakPolarHBondContact O-CB 3.31Å; F165-C168 PolarHBondContact O-N 3.19Å; I166-C168 PolarHBondContact O-N 3.24Å; C168-N170 VanDerWaalsContact C-N 3.34Å; C168-N170 PolarHBondContact O-N 3.31Å; C168-M171 WeakPolarHBondContact O-CB 3.29Å; C168-M171 PolarHBondContact O-N 3.14Å; C168-M171 VanDerWaalsContact O-N 3.13Å; C168-I172 VanDerWaalsContact O-CG1 3.27Å; C168-I172 WeakPolarHBondContact O-CG1 3.32Å; C168-I172 PolarHBondContact O-N 3.42Å; C168-L186 HydrophobicContact CB-CD2 4.34Å
169E84.5Confident78.8Confident44 Ų4454.6 Ų54.621%0.20627%0.274CS..Hα-helixtrans-60.7-42.7178-78-61.3119.600111.9F165 I166 M171 I172 K173F165-E169 HydrophobicContact CD1-CG 4.3Å; F165-E169 HydrophobicContact CE1-CG 3.7Å; F165-E169 HydrophobicContact CE2-CG 4.35Å; F165-E169 HydrophobicContact CZ-CG 3.7Å; F165-E169 PolarHBondContact O-N 3.35Å; I166-E169 PolarHBondContact O-N 3.01Å; E169-M171 VanDerWaalsContact C-N 3.3Å; E169-M171 PolarHBondContact O-N 3.47Å; E169-I172 PolarHBondContact O-N 3.49Å; E169-K173 WeakPolarHBondContact O-CB 3.29Å; E169-K173 VanDerWaalsContact O-CG 3.28Å; E169-K173 WeakPolarHBondContact O-CG 3.44Å; E169-K173 PolarHBondContact O-N 3.05Å
170N83.8Confident78.7Confident49 Ų4956.6 Ų56.626%0.26228%0.284SS..Hα-helixtrans-65.4-34.3176.2-76.5-22.3000112.3I166 E167 C168 S174 D220I166-N170 WeakPolarHBondContact CG2-ND2 3.42Å; I166-N170 VanDerWaalsContact O-CB 3.27Å; I166-N170 WeakPolarHBondContact O-CB 3.49Å; I166-N170 VanDerWaalsContact O-CG 3.24Å; I166-N170 PolarHBondContact O-N 3.34Å; I166-N170 PolarHBondContact O-ND2 3.44Å; E167-N170 PolarHBondContact O-N 2.93Å; C168-N170 VanDerWaalsContact C-N 3.34Å; C168-N170 PolarHBondContact O-N 3.31Å; N170-S174 WeakPolarHBondContact O-CB 3.5Å; N170-S174 PolarHBondContact O-N 2.85Å; N170-D220 PolarHBondContact ND2-OD2 2.92Å; N170-D220 PolarHBondContact OD1-OD1 2.85Å
171M81.5Confident78.5Confident0 Ų058.7 Ų58.70%030%0.298CS..Hα-helixtrans-67.5-44.3171.6-75.7176.77900112.2F128 N129 W132 R133 E167 C168 E169 S174 Q178 L186F128-M171 HydrophobicContact CD2-SD 3.85Å; F128-M171 HydrophobicContact CE2-SD 3.7Å; N129-M171 VanDerWaalsContact CA-SD 3.56Å; N129-M171 HydrophobicContact CB-SD 4.17Å; W132-M171 HydrophobicContact CB-CE 3.65Å; W132-M171 HydrophobicContact CE3-CE 4.47Å; R133-M171 HydrophobicContact CG-CE 4.08Å; E167-M171 WeakPolarHBondContact O-CB 3.35Å; E167-M171 WeakPolarHBondContact O-CG 3.22Å; E167-M171 PolarHBondContact O-N 3.1Å; C168-M171 WeakPolarHBondContact O-CB 3.29Å; C168-M171 PolarHBondContact O-N 3.14Å; C168-M171 VanDerWaalsContact O-N 3.13Å; E169-M171 VanDerWaalsContact C-N 3.3Å; E169-M171 PolarHBondContact O-N 3.47Å; M171-S174 CarbonylContact O-C 3.5Å; M171-S174 PolarHBondContact O-N 3.07Å; M171-Q178 PolarHBondContact O-NE2 3.13Å; M171-L186 HydrophobicContact CB-CD1 3.73Å; M171-L186 HydrophobicContact CB-CD2 4.42Å; M171-L186 HydrophobicContact CE-CD1 3.83Å; M171-L186 HydrophobicContact CE-CD2 3.94Å; M171-L186 HydrophobicContact CE-CG 4.43Å; M171-L186 HydrophobicContact SD-CD1 4.26Å; M171-L186 HydrophobicContact SD-CD2 3.71Å
172I83.1Confident78.3Confident56 Ų5659 Ų5929%0.28730%0.3SS..Hα-helixtrans-63.5-42.8178.2-67.6164.4000110.1C168 E169 S174 S175 L186C168-I172 VanDerWaalsContact O-CG1 3.27Å; C168-I172 WeakPolarHBondContact O-CG1 3.32Å; C168-I172 PolarHBondContact O-N 3.42Å; E169-I172 PolarHBondContact O-N 3.49Å; I172-S174 VanDerWaalsContact C-N 3.28Å; I172-S174 PolarHBondContact O-N 3.14Å; I172-S175 WeakPolarHBondContact O-CB 3.28Å; I172-S175 PolarHBondContact O-N 3.49Å; I172-S175 PolarHBondContact O-OG 2.88Å; I172-L186 HydrophobicContact CD1-CB 4.1Å; I172-L186 HydrophobicContact CG1-CB 3.95Å; I172-L186 HydrophobicContact CG1-CD1 4.28Å
173K81.2Confident78.3Confident124 Ų12460.9 Ų60.954%0.53931%0.313SS..Hα-helixtrans-65.8-30.8174.9-71.5174.3-177.7-175.20113.1E169 S175E169-K173 WeakPolarHBondContact O-CB 3.29Å; E169-K173 VanDerWaalsContact O-CG 3.28Å; E169-K173 WeakPolarHBondContact O-CG 3.44Å; E169-K173 PolarHBondContact O-N 3.05Å; K173-S175 PolarHBondContact O-N 3.15Å
174S76.5Confident78.3Confident57 Ų5759.7 Ų59.740%0.39932%0.316SS..THydrogen-bonded Turntrans-80.516.8177.6-173.10000113.3N170 M171 I172 R176N170-S174 WeakPolarHBondContact O-CB 3.5Å; N170-S174 PolarHBondContact O-N 2.85Å; M171-S174 CarbonylContact O-C 3.5Å; M171-S174 PolarHBondContact O-N 3.07Å; I172-S174 VanDerWaalsContact C-N 3.28Å; I172-S174 PolarHBondContact O-N 3.14Å; S174-R176 PolarHBondContact O-N 3.29Å
175S65Low78.3Confident68 Ų6859.9 Ų59.948%0.47632%0.317SS..G310 helixtrans-53.4-4.9-166.152.60000119.4I172 K173 N177 Q178I172-S175 WeakPolarHBondContact O-CB 3.28Å; I172-S175 PolarHBondContact O-N 3.49Å; I172-S175 PolarHBondContact O-OG 2.88Å; K173-S175 PolarHBondContact O-N 3.15Å; S175-N177 PolarHBondContact O-N 2.98Å; S175-Q178 PolarHBondContact O-N 3.45Å
176R60.6Low78.2Confident237 Ų23759.6 Ų59.689%0.89432%0.315SS*.G310 helixtrans-58-19.1-172-68.2-168.5-166.3-165.14.3115S174S174-R176 PolarHBondContact O-N 3.29Å
177N60.6Low78.3Confident156 Ų15661.7 Ų61.783%0.83433%0.333SS*.G310 helixtrans-129.511.6-172-61-20.1000115S175S175-N177 PolarHBondContact O-N 2.98Å
178Q65.4Low78.5Confident34 Ų3464.2 Ų64.216%0.15935%0.345CS..  trans-97.6147.6-174.3-66.6-175.88.600112.5M171 S175 L186M171-Q178 PolarHBondContact O-NE2 3.13Å; S175-Q178 PolarHBondContact O-N 3.45Å; Q178-L186 VanDerWaalsContact OE1-CD1 3.29Å
179S72.5Confident78.7Confident46 Ų4664.3 Ų64.332%0.32235%0.345SS..  trans-74.9154172.1610000111V181 V182 S183S179-V181 PolarHBondContact O-N 3.21Å; S179-V182 PolarHBondContact O-N 3.04Å; S179-V182 WeakPolarHBondContact OG-CG2 3.39Å; S179-S183 PolarHBondContact O-N 3.45Å; S179-S183 VanDerWaalsContact O-N 3.09Å; S179-S183 PolarHBondContact O-OG 3.27Å
180D77.4Confident78.8Confident146 Ų14663 Ų6378%0.78134%0.341SS*.Hα-helixtrans-58.1-34.7178.9-63.6-34.2000112.1S183 S184D180-S183 PolarHBondContact O-N 3.24Å; D180-S184 WeakPolarHBondContact O-CB 3.24Å; D180-S184 PolarHBondContact O-N 3.06Å
181V80.2Confident79.1Confident78 Ų7866.6 Ų66.647%0.47336%0.356SS..Hα-helixtrans-62.3-49176.9-177.80000111.2V145 S179 S183 S184 M185V145-V181 HydrophobicContact CG1-CG1 4.38Å; S179-V181 PolarHBondContact O-N 3.21Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 3.13Å; V181-S184 PolarHBondContact O-N 3.08Å; V181-M185 HydrophobicContact CG1-SD 4.16Å; V181-M185 VanDerWaalsContact O-CG 3.27Å; V181-M185 WeakPolarHBondContact O-CG 3.37Å; V181-M185 PolarHBondContact O-N 2.97Å
182V81.3Confident79.3Confident5 Ų571.8 Ų71.83%0.0338%0.376CS..Hα-helixtrans-63.6-39.9179.1174.60000110.4W132 F137 S179 M185 L186W132-V182 HydrophobicContact CB-CG1 4.38Å; W132-V182 HydrophobicContact CE3-CG1 4.3Å; F137-V182 HydrophobicContact CD1-CG2 3.79Å; F137-V182 HydrophobicContact CE1-CG2 3.94Å; S179-V182 PolarHBondContact O-N 3.04Å; S179-V182 WeakPolarHBondContact OG-CG2 3.39Å; V182-M185 PolarHBondContact O-N 3.09Å; V182-L186 HydrophobicContact CG1-CD1 3.91Å; V182-L186 HydrophobicContact CG1-CG 4.27Å; V182-L186 WeakPolarHBondContact O-CB 3.4Å; V182-L186 VanDerWaalsContact O-CG 3.25Å; V182-L186 WeakPolarHBondContact O-CG 3.46Å; V182-L186 PolarHBondContact O-N 3.11Å
183S81.7Confident79.5Confident41 Ų4169.1 Ų69.129%0.28736%0.362SS..Hα-helixtrans-64-43.7178.1-56.10000112S179 D180 V181 M185 L186 A187S179-S183 PolarHBondContact O-N 3.45Å; S179-S183 VanDerWaalsContact O-N 3.09Å; S179-S183 PolarHBondContact O-OG 3.27Å; D180-S183 PolarHBondContact O-N 3.24Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 3.13Å; S183-M185 VanDerWaalsContact C-N 3.34Å; S183-M185 PolarHBondContact O-N 3.04Å; S183-L186 PolarHBondContact O-N 2.88Å; S183-A187 PolarHBondContact O-N 2.93Å
184S84.2Confident79.8Confident65 Ų6564.8 Ų64.846%0.45535%0.346SS..Hα-helixtrans-62-41.2175.3-179.30000112.1D180 V181 A187 Q188D180-S184 WeakPolarHBondContact O-CB 3.24Å; D180-S184 PolarHBondContact O-N 3.06Å; V181-S184 PolarHBondContact O-N 3.08Å; S184-A187 PolarHBondContact O-N 3.01Å; S184-Q188 WeakPolarHBondContact O-CG 3.43Å; S184-Q188 PolarHBondContact O-N 3.16Å; S184-Q188 PolarHBondContact OG-NE2 3.21Å
185M84.4Confident80.3Confident14 Ų1466.3 Ų66.37%0.06935%0.347CS..Hα-helixtrans-67.7-41.3177.3-67.9169.677.700112.8W132 F137 V145 Y149 V181 V182 S183 A187 Q188 I189W132-M185 HydrophobicContact CH2-CB 4.46Å; W132-M185 HydrophobicContact CH2-CE 3.88Å; W132-M185 HydrophobicContact CZ2-CE 4.36Å; W132-M185 HydrophobicContact CZ3-CB 4.12Å; W132-M185 HydrophobicContact CZ3-CE 4.37Å; F137-M185 HydrophobicContact CE1-SD 4.5Å; F137-M185 HydrophobicContact CZ-CE 4.4Å; V145-M185 HydrophobicContact CB-CE 4.46Å; V145-M185 HydrophobicContact CG1-CE 3.26Å; V145-M185 HydrophobicContact CG1-SD 3.08Å; V145-M185 WeakPolarHBondContact CG1-SD 3.31Å; V145-M185 VanDerWaalsContact O-CE 3.27Å; V145-M185 WeakPolarHBondContact O-CE 3.18Å; Y149-M185 HydrophobicContact CG-CE 4.48Å; V181-M185 HydrophobicContact CG1-SD 4.16Å; V181-M185 VanDerWaalsContact O-CG 3.27Å; V181-M185 WeakPolarHBondContact O-CG 3.37Å; V181-M185 PolarHBondContact O-N 2.97Å; V182-M185 PolarHBondContact O-N 3.09Å; S183-M185 VanDerWaalsContact C-N 3.34Å; S183-M185 PolarHBondContact O-N 3.04Å; M185-A187 VanDerWaalsContact C-N 3.28Å; M185-A187 PolarHBondContact O-N 3.41Å; M185-Q188 PolarHBondContact O-N 2.6Å; M185-I189 WeakPolarHBondContact O-CG1 3.26Å; M185-I189 PolarHBondContact O-N 2.92Å
186L85.5Confident81.3Confident0 Ų063.9 Ų63.90%033%0.329CS..Hα-helixtrans-61.7-40.3175.9-73.4170.8000110.9F128 W132 C168 M171 I172 Q178 V182 S183 I189 S190F128-L186 HydrophobicContact CE2-CD2 4.38Å; W132-L186 HydrophobicContact CE3-CD2 3.68Å; W132-L186 HydrophobicContact CE3-CG 4.08Å; W132-L186 HydrophobicContact CZ3-CD2 3.76Å; W132-L186 HydrophobicContact CZ3-CG 4.12Å; C168-L186 HydrophobicContact CB-CD2 4.34Å; M171-L186 HydrophobicContact CB-CD1 3.73Å; M171-L186 HydrophobicContact CB-CD2 4.42Å; M171-L186 HydrophobicContact CE-CD1 3.83Å; M171-L186 HydrophobicContact CE-CD2 3.94Å; M171-L186 HydrophobicContact CE-CG 4.43Å; M171-L186 HydrophobicContact SD-CD1 4.26Å; M171-L186 HydrophobicContact SD-CD2 3.71Å; I172-L186 HydrophobicContact CD1-CB 4.1Å; I172-L186 HydrophobicContact CG1-CB 3.95Å; I172-L186 HydrophobicContact CG1-CD1 4.28Å; Q178-L186 VanDerWaalsContact OE1-CD1 3.29Å; V182-L186 HydrophobicContact CG1-CD1 3.91Å; V182-L186 HydrophobicContact CG1-CG 4.27Å; V182-L186 WeakPolarHBondContact O-CB 3.4Å; V182-L186 VanDerWaalsContact O-CG 3.25Å; V182-L186 WeakPolarHBondContact O-CG 3.46Å; V182-L186 PolarHBondContact O-N 3.11Å; S183-L186 PolarHBondContact O-N 2.88Å; L186-I189 PolarHBondContact O-N 3.07Å; L186-S190 WeakPolarHBondContact O-CB 3.25Å; L186-S190 PolarHBondContact O-N 3.11Å; L186-S190 PolarHBondContact O-OG 3.43Å
187A86.3Confident82.5Confident46 Ų4652.6 Ų52.638%0.3829%0.286SS..Hα-helixtrans-60.8-47.8173.300000111.4S183 S184 M185 I189 S190 E191S183-A187 PolarHBondContact O-N 2.93Å; S184-A187 PolarHBondContact O-N 3.01Å; M185-A187 VanDerWaalsContact C-N 3.28Å; M185-A187 PolarHBondContact O-N 3.41Å; A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.31Å; A187-S190 WeakPolarHBondContact CA-OG 3.42Å; A187-S190 PolarHBondContact O-N 2.59Å; A187-S190 VanDerWaalsContact O-N 3.16Å; A187-S190 PolarHBondContact O-OG 3.02Å; A187-E191 PolarHBondContact O-N 3.39Å
188Q88.4Confident83.7Confident83 Ų8345.7 Ų45.739%0.38825%0.251SS..Hα-helixtrans-60.3-39.4176.7-71.7174.859.100112.9Y149 S184 M185 R192Y149-Q188 HydrophobicContact CE2-CB 3.94Å; S184-Q188 WeakPolarHBondContact O-CG 3.43Å; S184-Q188 PolarHBondContact O-N 3.16Å; S184-Q188 PolarHBondContact OG-NE2 3.21Å; M185-Q188 PolarHBondContact O-N 2.6Å; Q188-R192 WeakPolarHBondContact O-CB 3.38Å; Q188-R192 PolarHBondContact O-N 3.28Å
189I88.4Confident84.6Confident1 Ų147.9 Ų47.91%0.00527%0.267CS..Hα-helixtrans-67.3-42.9175.1-68.2166.8000110.9W132 Y149 L152 T164 M185 L186 A187 E191 R192 C193W132-I189 HydrophobicContact CH2-CD1 3.21Å; W132-I189 HydrophobicContact CZ2-CD1 4.21Å; W132-I189 HydrophobicContact CZ3-CD1 3.61Å; Y149-I189 HydrophobicContact CD2-CD1 3.88Å; Y149-I189 HydrophobicContact CD2-CG1 3.6Å; Y149-I189 HydrophobicContact CE2-CD1 4.32Å; Y149-I189 HydrophobicContact CE2-CG1 3.52Å; L152-I189 HydrophobicContact CD2-CD1 3.51Å; L152-I189 HydrophobicContact CG-CD1 4.2Å; T164-I189 HydrophobicContact CG2-CG2 4.04Å; M185-I189 WeakPolarHBondContact O-CG1 3.26Å; M185-I189 PolarHBondContact O-N 2.92Å; L186-I189 PolarHBondContact O-N 3.07Å; A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.31Å; I189-E191 VanDerWaalsContact C-N 3.31Å; I189-E191 PolarHBondContact O-N 3.32Å; I189-R192 CarbonylContact O-C 3.4Å; I189-R192 PolarHBondContact O-N 2.96Å; I189-C193 WeakPolarHBondContact O-CB 3.28Å; I189-C193 PolarHBondContact O-N 3.13Å; I189-C193 PolarHBondContact O-SG 2.9Å
190S87.1Confident85.1Confident17 Ų1749.6 Ų49.612%0.11927%0.27CS..Hα-helixtrans-60.9-41.7178.271.30000111.4L186 A187 C193 V194L186-S190 WeakPolarHBondContact O-CB 3.25Å; L186-S190 PolarHBondContact O-N 3.11Å; L186-S190 PolarHBondContact O-OG 3.43Å; A187-S190 WeakPolarHBondContact CA-OG 3.42Å; A187-S190 PolarHBondContact O-N 2.59Å; A187-S190 VanDerWaalsContact O-N 3.16Å; A187-S190 PolarHBondContact O-OG 3.02Å; S190-C193 WeakPolarHBondContact O-CB 3.43Å; S190-C193 PolarHBondContact O-N 2.89Å; S190-V194 WeakPolarHBondContact O-CG2 3.44Å; S190-V194 PolarHBondContact O-N 2.63Å
191E88.9Confident85.3Confident125 Ų12542.6 Ų42.658%0.58423%0.233SC*.Hα-helixtrans-61.7-47.2173.7-175.6172.2-158.400110.9A187 I189 C193 V194 E195A187-E191 PolarHBondContact O-N 3.39Å; I189-E191 VanDerWaalsContact C-N 3.31Å; I189-E191 PolarHBondContact O-N 3.32Å; E191-C193 VanDerWaalsContact C-N 3.28Å; E191-C193 PolarHBondContact O-N 3.4Å; E191-V194 WeakPolarHBondContact O-CB 3.41Å; E191-V194 PolarHBondContact O-N 3.02Å; E191-E195 PolarHBondContact O-N 3.13Å
192R87Confident85.3Confident109 Ų10939.3 Ų39.341%0.41121%0.213SC..Hα-helixtrans-62.2-35.4176.2-171.557178.4169.15.6112.8L156 Q188 I189 V194 E195 V196L156-R192 HydrophobicContact CD1-CB 4.43Å; L156-R192 HydrophobicContact CD1-CG 4Å; Q188-R192 WeakPolarHBondContact O-CB 3.38Å; Q188-R192 PolarHBondContact O-N 3.28Å; I189-R192 CarbonylContact O-C 3.4Å; I189-R192 PolarHBondContact O-N 2.96Å; R192-V194 VanDerWaalsContact C-N 3.35Å; R192-E195 WeakPolarHBondContact CD-OE2 3.26Å; R192-E195 IonicContact CZ-OE2 3.44Å; R192-E195 IonicContact NE-OE2 3.41Å; R192-E195 IonicContact NH1-OE2 2.95Å; R192-E195 PolarHBondContact NH1-OE2 3.19Å; R192-E195 PolarHBondContact O-N 3.22Å; R192-V196 WeakPolarHBondContact O-CG2 3.41Å; R192-V196 PolarHBondContact O-N 3.09Å
193C87.9Confident85.4Confident0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-63.1-42.2173.6-70.60000110.9V161 F165 I189 S190 E191 E195 V196 M197V161-C193 HydrophobicContact CG1-CB 4Å; F165-C193 HydrophobicContact CB-CB 4.09Å; F165-C193 HydrophobicContact CD2-CB 3.85Å; F165-C193 HydrophobicContact CG-CB 4.44Å; I189-C193 WeakPolarHBondContact O-CB 3.28Å; I189-C193 PolarHBondContact O-N 3.13Å; I189-C193 PolarHBondContact O-SG 2.9Å; S190-C193 WeakPolarHBondContact O-CB 3.43Å; S190-C193 PolarHBondContact O-N 2.89Å; E191-C193 VanDerWaalsContact C-N 3.28Å; E191-C193 PolarHBondContact O-N 3.4Å; C193-E195 VanDerWaalsContact C-N 3.33Å; C193-E195 PolarHBondContact O-N 2.67Å; C193-V196 PolarHBondContact O-N 3.17Å; C193-M197 WeakPolarHBondContact O-CB 3.29Å; C193-M197 VanDerWaalsContact O-CG 3.26Å; C193-M197 WeakPolarHBondContact O-CG 3.47Å; C193-M197 PolarHBondContact O-N 3.42Å
194V87.3Confident85.3Confident33 Ų3341 Ų4120%0.222%0.218CC..Hα-helixtrans-62.4-40175.8173.20000111.4F165 S190 E191 R192 M197 A198 V227 V231F165-V194 HydrophobicContact CD2-CG2 4.48Å; F165-V194 HydrophobicContact CE2-CG2 3.93Å; S190-V194 WeakPolarHBondContact O-CG2 3.44Å; S190-V194 PolarHBondContact O-N 2.63Å; E191-V194 WeakPolarHBondContact O-CB 3.41Å; E191-V194 PolarHBondContact O-N 3.02Å; R192-V194 VanDerWaalsContact C-N 3.35Å; V194-M197 HydrophobicContact CB-CE 4.4Å; V194-M197 HydrophobicContact CG2-CE 3.91Å; V194-M197 PolarHBondContact O-N 3.24Å; V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 2.98Å; V194-V227 HydrophobicContact CG2-CG1 3.86Å; V194-V231 HydrophobicContact CG1-CG2 4.04Å
195E87.2Confident85Confident88 Ų8837.9 Ų37.941%0.41120%0.197SC..Hα-helixtrans-62.9-47.2175-66.4178.9160.300112.4E191 R192 C193 M197 A198 T199E191-E195 PolarHBondContact O-N 3.13Å; R192-E195 WeakPolarHBondContact CD-OE2 3.26Å; R192-E195 IonicContact CZ-OE2 3.44Å; R192-E195 IonicContact NE-OE2 3.41Å; R192-E195 IonicContact NH1-OE2 2.95Å; R192-E195 PolarHBondContact NH1-OE2 3.19Å; R192-E195 PolarHBondContact O-N 3.22Å; C193-E195 VanDerWaalsContact C-N 3.33Å; C193-E195 PolarHBondContact O-N 2.67Å; E195-M197 VanDerWaalsContact C-N 3.33Å; E195-M197 PolarHBondContact O-N 2.7Å; E195-A198 WeakPolarHBondContact O-CB 3.45Å; E195-A198 PolarHBondContact O-N 3.35Å; E195-A198 VanDerWaalsContact O-N 3.1Å; E195-T199 PolarHBondContact O-N 3.38Å; E195-T199 VanDerWaalsContact O-N 3.14Å; E195-T199 PolarHBondContact O-OG1 3Å
196V86Confident84.7Confident17 Ų1739.6 Ų39.610%0.10321%0.21CC..Hα-helixtrans-65.8-38.4178.2177.50000111V161 R192 C193 A198 T199 E200V161-V196 HydrophobicContact CG2-CB 4.11Å; V161-V196 HydrophobicContact CG2-CG1 3.61Å; R192-V196 WeakPolarHBondContact O-CG2 3.41Å; R192-V196 PolarHBondContact O-N 3.09Å; C193-V196 PolarHBondContact O-N 3.17Å; V196-A198 VanDerWaalsContact C-N 3.28Å; V196-A198 PolarHBondContact O-N 3.06Å; V196-T199 PolarHBondContact O-N 3.08Å; V196-T199 PolarHBondContact O-OG1 2.92Å; V196-E200 PolarHBondContact O-N 3.33Å
197M85.6Confident84.4Confident0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-60.6-38.4171.5-73.9-170.8-69.900111.4V161 L162 F165 C193 V194 E195 T199 F201 V204 V227 F228 V231V161-M197 HydrophobicContact CG1-CG 3.42Å; V161-M197 VanDerWaalsContact CG1-CG 3.42Å; V161-M197 HydrophobicContact CG1-SD 4.24Å; L162-M197 HydrophobicContact CD2-SD 3.85Å; F165-M197 HydrophobicContact CD2-CE 4.11Å; F165-M197 HydrophobicContact CG-CE 4.17Å; C193-M197 WeakPolarHBondContact O-CB 3.29Å; C193-M197 VanDerWaalsContact O-CG 3.26Å; C193-M197 WeakPolarHBondContact O-CG 3.47Å; C193-M197 PolarHBondContact O-N 3.42Å; V194-M197 HydrophobicContact CB-CE 4.4Å; V194-M197 HydrophobicContact CG2-CE 3.91Å; V194-M197 PolarHBondContact O-N 3.24Å; E195-M197 VanDerWaalsContact C-N 3.33Å; E195-M197 PolarHBondContact O-N 2.7Å; M197-T199 VanDerWaalsContact C-N 3.31Å; M197-T199 PolarHBondContact O-N 2.81Å; M197-F201 HydrophobicContact CB-CD2 4.45Å; M197-F201 VanDerWaalsContact O-CA 3.31Å; M197-F201 WeakPolarHBondContact O-CA 3.02Å; M197-F201 WeakPolarHBondContact O-CB 2.97Å; M197-F201 PolarHBondContact O-N 3.45Å; M197-F201 VanDerWaalsContact O-N 3.13Å; M197-V204 HydrophobicContact CG-CG2 4.46Å; M197-V227 HydrophobicContact CE-CG1 3.98Å; M197-F228 HydrophobicContact SD-CE1 4.31Å; M197-V231 HydrophobicContact CB-CG1 3.92Å; M197-V231 HydrophobicContact CB-CG2 4.05Å; M197-V231 HydrophobicContact CE-CG2 4.07Å
198A85.1Confident84Confident12 Ų1244.2 Ų44.210%0.09922%0.224CC..Hα-helixtrans-70.6-24.6179.200000113.7V194 E195 V196 V231 S234V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 2.98Å; E195-A198 WeakPolarHBondContact O-CB 3.45Å; E195-A198 PolarHBondContact O-N 3.35Å; E195-A198 VanDerWaalsContact O-N 3.1Å; V196-A198 VanDerWaalsContact C-N 3.28Å; V196-A198 PolarHBondContact O-N 3.06Å; A198-V231 HydrophobicContact CB-CG1 4.47Å; A198-S234 VanDerWaalsContact CB-OG 3.24Å; A198-S234 WeakPolarHBondContact CB-OG 3.49Å
199T84.9Confident83.5Confident80 Ų8043 Ų4349%0.49122%0.216SC..Hα-helixtrans-88.5-36.117853.50000113.5E195 V196 M197E195-T199 PolarHBondContact O-N 3.38Å; E195-T199 VanDerWaalsContact O-N 3.14Å; E195-T199 PolarHBondContact O-OG1 3Å; V196-T199 PolarHBondContact O-N 3.08Å; V196-T199 PolarHBondContact O-OG1 2.92Å; M197-T199 VanDerWaalsContact C-N 3.31Å; M197-T199 PolarHBondContact O-N 2.81Å
200E82.7Confident83Confident81 Ų8143 Ų4338%0.37922%0.216SC..SBendtrans-126.935-170.9-61.2-175.3-179.500112.8A158 V196 S202 N203 V204A158-E200 HydrophobicContact CB-CB 4.43Å; V196-E200 PolarHBondContact O-N 3.33Å; E200-S202 PolarHBondContact O-N 3.27Å; E200-N203 PolarHBondContact O-N 3.18Å; E200-N203 VanDerWaalsContact O-N 3.09Å; E200-V204 WeakPolarHBondContact O-CG2 3.45Å; E200-V204 PolarHBondContact O-N 3.02Å
201F82.5Confident82.5Confident0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-60.7-32.8-174-160.7-123.4000113.4M197 N203 V204 L205 F228 V231 V232 L235 E239 V243 L276M197-F201 HydrophobicContact CB-CD2 4.45Å; M197-F201 VanDerWaalsContact O-CA 3.31Å; M197-F201 WeakPolarHBondContact O-CA 3.02Å; M197-F201 WeakPolarHBondContact O-CB 2.97Å; M197-F201 PolarHBondContact O-N 3.45Å; M197-F201 VanDerWaalsContact O-N 3.13Å; F201-N203 VanDerWaalsContact C-N 3.27Å; F201-N203 PolarHBondContact O-N 3.2Å; F201-V204 HydrophobicContact CD2-CB 4.39Å; F201-V204 HydrophobicContact CD2-CG1 4.46Å; F201-V204 PolarHBondContact O-N 3.48Å; F201-L205 HydrophobicContact CD1-CD1 3.78Å; F201-L205 HydrophobicContact CD1-CG 4.09Å; F201-L205 HydrophobicContact CE1-CD1 3.61Å; F201-L205 HydrophobicContact CE1-CD2 4.01Å; F201-L205 HydrophobicContact CE1-CG 3.86Å; F201-L205 HydrophobicContact CE2-CD2 4.49Å; F201-L205 HydrophobicContact CZ-CD1 4.31Å; F201-L205 HydrophobicContact CZ-CD2 3.87Å; F201-L205 HydrophobicContact CZ-CG 4.08Å; F201-L205 WeakPolarHBondContact O-CG 3.48Å; F201-L205 PolarHBondContact O-N 3.42Å; F201-F228 HydrophobicContact CE2-CD1 4.22Å; F201-F228 HydrophobicContact CE2-CE1 4.04Å; F201-F228 HydrophobicContact CE2-CZ 4.38Å; F201-F228 HydrophobicContact CZ-CD1 4.38Å; F201-F228 HydrophobicContact CZ-CE1 4.4Å; F201-F228 HydrophobicContact CZ-CG 4.45Å; F201-F228 HydrophobicContact CZ-CZ 4.48Å; F201-V231 HydrophobicContact CD2-CG1 3.82Å; F201-V231 HydrophobicContact CE2-CG1 4.09Å; F201-V231 HydrophobicContact CG-CG1 4.3Å; F201-V232 HydrophobicContact CE1-CG2 4.34Å; F201-L235 HydrophobicContact CB-CD2 3.37Å; F201-L235 HydrophobicContact CD1-CD1 4.48Å; F201-L235 HydrophobicContact CD1-CD2 4.19Å; F201-L235 HydrophobicContact CG-CD2 3.97Å; F201-E239 PolarHBondContact N-OE1 3Å; F201-V243 HydrophobicContact CB-CG2 3.74Å; F201-V243 HydrophobicContact CD1-CB 4.26Å; F201-V243 HydrophobicContact CD1-CG1 3.61Å; F201-V243 HydrophobicContact CD1-CG2 3.58Å; F201-V243 HydrophobicContact CE1-CG1 3.96Å; F201-V243 HydrophobicContact CG-CG2 4.15Å; F201-L276 HydrophobicContact CE1-CD2 3.98Å; F201-L276 HydrophobicContact CZ-CD2 3.86Å
202S79.7Confident81.8Confident8 Ų841.9 Ų41.96%0.05621%0.21CC..Hα-helixtrans-61.9-36177.562.60000112.4E200 S206 E239E200-S202 PolarHBondContact O-N 3.27Å; S202-S206 PolarHBondContact O-N 3.3Å; S202-S206 PolarHBondContact O-OG 3.03Å; S202-E239 WeakPolarHBondContact CB-OE1 3.36Å; S202-E239 PolarHBondContact N-OE1 2.83Å; S202-E239 PolarHBondContact OG-OE1 3.11Å
203N82.1Confident81.1Confident81 Ų8137.2 Ų37.243%0.43319%0.193SC..Hα-helixtrans-75.5-40175-66.5-31.4000110.8A158 E200 F201 L205 S206 S207A158-N203 HydrophobicContact CB-CB 3.42Å; A158-N203 VanDerWaalsContact CB-CB 3.42Å; E200-N203 PolarHBondContact O-N 3.18Å; E200-N203 VanDerWaalsContact O-N 3.09Å; F201-N203 VanDerWaalsContact C-N 3.27Å; F201-N203 PolarHBondContact O-N 3.2Å; N203-L205 VanDerWaalsContact C-N 3.33Å; N203-L205 PolarHBondContact O-N 3.31Å; N203-S206 CarbonylContact O-C 3.58Å; N203-S206 WeakPolarHBondContact O-CA 3.44Å; N203-S206 WeakPolarHBondContact O-CB 3.49Å; N203-S206 PolarHBondContact O-N 3.3Å; N203-S207 PolarHBondContact O-N 2.08Å; N203-S207 VanDerWaalsContact O-N 3.08Å
204V80.2Confident80.2Confident0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-59-44176.4172.50000111.3A158 L162 M197 E200 F201 S206 S207A158-V204 HydrophobicContact CB-CG2 4.01Å; L162-V204 HydrophobicContact CD1-CG1 3.38Å; L162-V204 HydrophobicContact CD2-CG1 3.95Å; L162-V204 HydrophobicContact CG-CG1 3.43Å; L162-V204 VanDerWaalsContact CG-CG1 3.43Å; M197-V204 HydrophobicContact CG-CG2 4.46Å; E200-V204 WeakPolarHBondContact O-CG2 3.45Å; E200-V204 PolarHBondContact O-N 3.02Å; F201-V204 HydrophobicContact CD2-CB 4.39Å; F201-V204 HydrophobicContact CD2-CG1 4.46Å; F201-V204 PolarHBondContact O-N 3.48Å; V204-S206 PolarHBondContact O-N 3.23Å; V204-S207 VanDerWaalsContact O-CB 3.26Å; V204-S207 WeakPolarHBondContact O-CB 3.42Å; V204-S207 PolarHBondContact O-N 3.44Å; V204-S207 VanDerWaalsContact O-N 3.13Å; V204-S207 PolarHBondContact O-OG 2.97Å
205L78Confident79.4Confident0 Ų040.8 Ų40.80%021%0.206CC..Hα-helixtrans-67.1-23.4175.4-70.1175.6000113.4F201 N203 S207 F210 V243 L247 L250F201-L205 HydrophobicContact CD1-CD1 3.78Å; F201-L205 HydrophobicContact CD1-CG 4.09Å; F201-L205 HydrophobicContact CE1-CD1 3.61Å; F201-L205 HydrophobicContact CE1-CD2 4.01Å; F201-L205 HydrophobicContact CE1-CG 3.86Å; F201-L205 HydrophobicContact CE2-CD2 4.49Å; F201-L205 HydrophobicContact CZ-CD1 4.31Å; F201-L205 HydrophobicContact CZ-CD2 3.87Å; F201-L205 HydrophobicContact CZ-CG 4.08Å; F201-L205 WeakPolarHBondContact O-CG 3.48Å; F201-L205 PolarHBondContact O-N 3.42Å; N203-L205 VanDerWaalsContact C-N 3.33Å; N203-L205 PolarHBondContact O-N 3.31Å; L205-S207 VanDerWaalsContact C-N 3.35Å; L205-F210 HydrophobicContact CD2-CD1 4.16Å; L205-F210 HydrophobicContact CD2-CE1 3.66Å; L205-F210 HydrophobicContact CD2-CE2 4.24Å; L205-F210 HydrophobicContact CD2-CZ 3.71Å; L205-F210 WeakPolarHBondContact O-CD1 3.08Å; L205-V243 HydrophobicContact CD1-CG1 3.83Å; L205-L247 HydrophobicContact CD1-CD1 4.44Å; L205-L247 HydrophobicContact CD1-CD2 3.64Å; L205-L247 HydrophobicContact CD1-CG 3.77Å; L205-L247 HydrophobicContact CD2-CD2 4.17Å; L205-L250 HydrophobicContact CB-CD1 4.02Å; L205-L250 WeakPolarHBondContact O-CD1 3.36Å
206S78Confident78.2Confident51 Ų5139 Ų3936%0.35721%0.212SC..THydrogen-bonded Turntrans-87.6-6175.7-54.50000112.7S202 N203 V204S202-S206 PolarHBondContact O-N 3.3Å; S202-S206 PolarHBondContact O-OG 3.03Å; N203-S206 CarbonylContact O-C 3.58Å; N203-S206 WeakPolarHBondContact O-CA 3.44Å; N203-S206 WeakPolarHBondContact O-CB 3.49Å; N203-S206 PolarHBondContact O-N 3.3Å; V204-S206 PolarHBondContact O-N 3.23Å
207S79.8Confident77Confident1 Ų145 Ų451%0.00724%0.237CC..SBendtrans-66.1143.1-177.6700000111.6N203 V204 L205 Y209 F210 L211N203-S207 PolarHBondContact O-N 2.08Å; N203-S207 VanDerWaalsContact O-N 3.08Å; V204-S207 VanDerWaalsContact O-CB 3.26Å; V204-S207 WeakPolarHBondContact O-CB 3.42Å; V204-S207 PolarHBondContact O-N 3.44Å; V204-S207 VanDerWaalsContact O-N 3.13Å; V204-S207 PolarHBondContact O-OG 2.97Å; L205-S207 VanDerWaalsContact C-N 3.35Å; S207-Y209 PolarHBondContact O-N 2.75Å; S207-F210 PolarHBondContact O-N 3.22Å; S207-F210 VanDerWaalsContact O-N 3.16Å; S207-F210 WeakPolarHBondContact OG-CB 3.5Å; S207-F210 PolarHBondContact OG-N 2.71Å; S207-L211 PolarHBondContact O-N 2.77Å
208E78.2Confident75.7Confident142 Ų14247.1 Ų47.166%0.66425%0.254SS*.Hα-helixtrans-56.1-39.8176.4-175.3171.7-153.300111F210 L211 E212E208-F210 VanDerWaalsContact C-N 3.34Å; E208-F210 PolarHBondContact O-N 3.32Å; E208-L211 PolarHBondContact O-N 3.32Å; E208-L211 VanDerWaalsContact O-N 3.11Å; E208-E212 HydrophobicContact CG-CG 4.2Å; E208-E212 WeakPolarHBondContact O-CB 3.35Å; E208-E212 WeakPolarHBondContact O-CG 3.49Å; E208-E212 PolarHBondContact O-N 3.37Å
209Y76.7Confident74.3Confident58 Ų5854 Ų5423%0.22729%0.289CS..Hα-helixtrans-60.9-39.4178.9-171.7-101000113.1L162 K163 I166 S207 E212 M213L162-Y209 HydrophobicContact CB-CD1 3.8Å; L162-Y209 HydrophobicContact CB-CE1 4.12Å; K163-Y209 HydrophobicContact CB-CD1 4.18Å; K163-Y209 HydrophobicContact CB-CD2 4.25Å; K163-Y209 HydrophobicContact CB-CE1 3.95Å; K163-Y209 HydrophobicContact CB-CE2 4.02Å; K163-Y209 HydrophobicContact CB-CG 4.31Å; K163-Y209 HydrophobicContact CD-CE2 4.36Å; K163-Y209 HydrophobicContact CG-CE2 4.03Å; I166-Y209 HydrophobicContact CD1-CE1 3.91Å; S207-Y209 PolarHBondContact O-N 2.75Å; Y209-E212 PolarHBondContact O-N 3.47Å; Y209-M213 HydrophobicContact CD1-CE 4.3Å; Y209-M213 HydrophobicContact CE1-CE 3.45Å; Y209-M213 VanDerWaalsContact CE1-CE 3.45Å; Y209-M213 HydrophobicContact CE2-CE 4.48Å; Y209-M213 WeakPolarHBondContact O-CB 3.37Å; Y209-M213 PolarHBondContact O-N 2.65Å; Y209-M213 WeakPolarHBondContact OH-CE 3.27Å
210F77.7Confident73.5Confident1 Ų151.7 Ų51.70%0.00427%0.273CS..Hα-helixtrans-67.2-37.4176-175.1-107.7000112L162 L205 S207 E208 M213 G214 L224 F228 L250 F269 L273L162-F210 HydrophobicContact CD1-CB 3.78Å; L162-F210 HydrophobicContact CD1-CD2 3.9Å; L162-F210 HydrophobicContact CD1-CG 4.23Å; L205-F210 HydrophobicContact CD2-CD1 4.16Å; L205-F210 HydrophobicContact CD2-CE1 3.66Å; L205-F210 HydrophobicContact CD2-CE2 4.24Å; L205-F210 HydrophobicContact CD2-CZ 3.71Å; L205-F210 WeakPolarHBondContact O-CD1 3.08Å; S207-F210 PolarHBondContact O-N 3.22Å; S207-F210 VanDerWaalsContact O-N 3.16Å; S207-F210 WeakPolarHBondContact OG-CB 3.5Å; S207-F210 PolarHBondContact OG-N 2.71Å; E208-F210 VanDerWaalsContact C-N 3.34Å; E208-F210 PolarHBondContact O-N 3.32Å; F210-M213 WeakPolarHBondContact O-CB 3.34Å; F210-G214 PolarHBondContact O-N 3.24Å; F210-L224 HydrophobicContact CE2-CD2 4.49Å; F210-F228 AromaticContact CE2-CE2 3.89Å; F210-F228 HydrophobicContact CE2-CE2 3.89Å; F210-F228 HydrophobicContact CE2-CZ 4.12Å; F210-L250 HydrophobicContact CE1-CD1 4.37Å; F210-F269 HydrophobicContact CD1-CE2 4.19Å; F210-F269 HydrophobicContact CD1-CZ 4.09Å; F210-F269 HydrophobicContact CD2-CE2 4.29Å; F210-F269 AromaticContact CE1-CE2 3.69Å; F210-F269 HydrophobicContact CE1-CE2 3.69Å; F210-F269 AromaticContact CE1-CZ 3.58Å; F210-F269 HydrophobicContact CE1-CZ 3.58Å; F210-F269 AromaticContact CE2-CE2 3.79Å; F210-F269 HydrophobicContact CE2-CE2 3.79Å; F210-F269 HydrophobicContact CG-CE2 4.48Å; F210-F269 HydrophobicContact CZ-CD2 4.49Å; F210-F269 AromaticContact CZ-CE2 3.47Å; F210-F269 HydrophobicContact CZ-CE2 3.47Å; F210-F269 VanDerWaalsContact CZ-CE2 3.47Å; F210-F269 AromaticContact CZ-CZ 3.83Å; F210-F269 HydrophobicContact CZ-CZ 3.83Å; F210-F269 WeakPolarHBondContact O-CE2 3.14Å; F210-L273 HydrophobicContact CE1-CD2 4.02Å; F210-L273 HydrophobicContact CZ-CD2 4.04Å
211L76.6Confident73Confident38 Ų3848 Ų4820%0.19926%0.256CS..Hα-helixtrans-70.5-40.6176.1-65.5174.8000111.8S207 E208 M213 G214 K215 L250 W265S207-L211 PolarHBondContact O-N 2.77Å; E208-L211 PolarHBondContact O-N 3.32Å; E208-L211 VanDerWaalsContact O-N 3.11Å; L211-M213 VanDerWaalsContact C-N 3.34Å; L211-G214 PolarHBondContact O-N 3.47Å; L211-G214 VanDerWaalsContact O-N 3.13Å; L211-K215 WeakPolarHBondContact O-CG 3.49Å; L211-K215 PolarHBondContact O-N 3.46Å; L211-L250 HydrophobicContact CD2-CD2 3.7Å; L211-W265 HydrophobicContact CD2-CH2 4.18Å
212E75.1Confident72.8Confident80 Ų8051.2 Ų51.237%0.37428%0.283SS..Hα-helixtrans-63.1-39.5175.1-73.6-178.7160.600111.9E208 Y209 G214 K215 F217E208-E212 HydrophobicContact CG-CG 4.2Å; E208-E212 WeakPolarHBondContact O-CB 3.35Å; E208-E212 WeakPolarHBondContact O-CG 3.49Å; E208-E212 PolarHBondContact O-N 3.37Å; Y209-E212 PolarHBondContact O-N 3.47Å; E212-G214 PolarHBondContact O-N 3.36Å; E212-K215 PolarHBondContact O-N 3.36Å; E212-F217 HydrophobicContact CB-CD2 4.42Å
213M73.2Confident72.7Confident10 Ų1051.2 Ų51.25%0.04928%0.282CS..Hα-helixtrans-54.2-37.7171.8-169.372.751.900111.5I166 Y209 F210 L211 L221I166-M213 HydrophobicContact CD1-CE 3.58Å; Y209-M213 HydrophobicContact CD1-CE 4.3Å; Y209-M213 HydrophobicContact CE1-CE 3.45Å; Y209-M213 VanDerWaalsContact CE1-CE 3.45Å; Y209-M213 HydrophobicContact CE2-CE 4.48Å; Y209-M213 WeakPolarHBondContact O-CB 3.37Å; Y209-M213 PolarHBondContact O-N 2.65Å; Y209-M213 WeakPolarHBondContact OH-CE 3.27Å; F210-M213 WeakPolarHBondContact O-CB 3.34Å; L211-M213 VanDerWaalsContact C-N 3.34Å; M213-L221 HydrophobicContact CG-CD1 4.32Å
214G68.6Low72.5Confident0 Ų047.5 Ų47.50%026%0.262CS..Hα-helixtrans-74.4-28.3177.200000114.9F210 L211 E212 G216 W265 N266F210-G214 PolarHBondContact O-N 3.24Å; L211-G214 PolarHBondContact O-N 3.47Å; L211-G214 VanDerWaalsContact O-N 3.13Å; E212-G214 PolarHBondContact O-N 3.36Å; G214-G216 VanDerWaalsContact C-N 3.32Å; G214-G216 PolarHBondContact O-N 3.42Å; G214-W265 WeakPolarHBondContact O-CA 3.14Å; G214-N266 PolarHBondContact O-N 2.99Å
215K69.2Low72.5Confident108 Ų10851 Ų5147%0.4728%0.278SS..THydrogen-bonded Turntrans-85.211-176.8-69.9-178.7177.6-174.20115L211 E212 W265L211-K215 WeakPolarHBondContact O-CG 3.49Å; L211-K215 PolarHBondContact O-N 3.46Å; E212-K215 PolarHBondContact O-N 3.36Å; K215-W265 HydrophobicContact CG-CE3 4.48Å; K215-W265 HydrophobicContact CG-CH2 4.1Å; K215-W265 HydrophobicContact CG-CZ2 4.27Å; K215-W265 HydrophobicContact CG-CZ3 4.2Å
216G62.4Low72.6Confident52 Ų5256.9 Ų56.954%0.53631%0.31SS..THydrogen-bonded Turntrans131.6-6.9172.900000115.8G214 A218G214-G216 VanDerWaalsContact C-N 3.32Å; G214-G216 PolarHBondContact O-N 3.42Å; G216-A218 PolarHBondContact O-N 3.13Å
217F60.2Low72.9Confident142 Ų14255.7 Ų55.762%0.62330%0.3SS*.  trans-81.666.3173.2-72.7-84.4000110.7E212 L219E212-F217 HydrophobicContact CB-CD2 4.42Å; F217-L219 VanDerWaalsContact C-N 3.3Å; F217-L219 PolarHBondContact O-N 3.19Å
218A58.4Low73.1Confident45 Ų4555.7 Ų55.737%0.37230%0.3SS..  trans-81.413.5-168.100000116.7G216 D220 N266G216-A218 PolarHBondContact O-N 3.13Å; A218-D220 PolarHBondContact O-N 3.42Å; A218-N266 WeakPolarHBondContact CB-ND2 3.49Å
219L55.7Low73.4Confident157 Ų15750.6 Ų50.682%0.82228%0.28SS*.THydrogen-bonded Turntrans-70-32.4-161.2-75.2166000113.8F217F217-L219 VanDerWaalsContact C-N 3.3Å; F217-L219 PolarHBondContact O-N 3.19Å
220D69.5Low73.8Confident30 Ų3052 Ų5216%0.1629%0.294CS..THydrogen-bonded Turntrans-127.118.5-167.9-65.1-46.2000114.8I166 N170 A218 A222 T223 L224I166-D220 HydrophobicContact CD1-CB 4.28Å; I166-D220 HydrophobicContact CG1-CB 4.11Å; I166-D220 HydrophobicContact CG2-CB 3.63Å; I166-D220 WeakPolarHBondContact CG2-OD2 3.5Å; N170-D220 PolarHBondContact ND2-OD2 2.92Å; N170-D220 PolarHBondContact OD1-OD1 2.85Å; A218-D220 PolarHBondContact O-N 3.42Å; D220-A222 PolarHBondContact O-N 3.03Å; D220-A222 VanDerWaalsContact O-N 3.14Å; D220-T223 PolarHBondContact O-N 3.4Å; D220-T223 PolarHBondContact O-OG1 3.02Å; D220-L224 PolarHBondContact O-N 3.09Å
221L71.7Confident74.1Confident5 Ų552 Ų523%0.02629%0.294CS..Hα-helixtrans-60-31.3-178-158.971.4000113.2M213 T223 L224 E225 K268 F269 L272M213-L221 HydrophobicContact CG-CD1 4.32Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.34Å; L221-L224 WeakPolarHBondContact O-CB 3.4Å; L221-L224 PolarHBondContact O-N 3.46Å; L221-L224 VanDerWaalsContact O-N 3.16Å; L221-E225 PolarHBondContact O-N 2.86Å; L221-K268 HydrophobicContact CD2-CB 3.45Å; L221-K268 VanDerWaalsContact CD2-CB 3.45Å; L221-K268 WeakPolarHBondContact CD2-O 3.42Å; L221-F269 HydrophobicContact CD1-CD2 4.33Å; L221-F269 HydrophobicContact CD2-CB 4.36Å; L221-L272 HydrophobicContact CD1-CD2 3.37Å; L221-L272 HydrophobicContact CD2-CB 4.34Å; L221-L272 HydrophobicContact CD2-CD2 4.45Å; L221-L272 HydrophobicContact CG-CD2 3.93Å
222A77.5Confident74.3Confident67 Ų6750.1 Ų50.155%0.55429%0.285SS*.Hα-helixtrans-61.5-37.9176.700000112.5D220 L224 E225 D226D220-A222 PolarHBondContact O-N 3.03Å; D220-A222 VanDerWaalsContact O-N 3.14Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 3.11Å; A222-E225 PolarHBondContact O-N 3.33Å; A222-D226 PolarHBondContact O-N 3.1Å
223T78.3Confident74.7Confident8 Ų852.1 Ų52.15%0.04929%0.294CS..Hα-helixtrans-67.9-34.3175.346.20000112.9D220 L221 D226 V227D220-T223 PolarHBondContact O-N 3.4Å; D220-T223 PolarHBondContact O-OG1 3.02Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.34Å; T223-D226 PolarHBondContact O-N 3.23Å; T223-V227 VanDerWaalsContact O-CG2 3.29Å; T223-V227 WeakPolarHBondContact O-CG2 3.44Å; T223-V227 PolarHBondContact O-N 3.49Å
224L78.5Confident75.2Confident2 Ų254.5 Ų54.51%0.0131%0.312CS..Hα-helixtrans-68.8-39175.8-10165.8000111.3L162 I166 F210 D220 L221 A222 D226 V227 F228 L272L162-L224 HydrophobicContact CD2-CD2 4.21Å; L162-L224 HydrophobicContact CD2-CG 4.48Å; I166-L224 HydrophobicContact CD1-CD1 3.62Å; I166-L224 HydrophobicContact CG1-CD1 3.64Å; F210-L224 HydrophobicContact CE2-CD2 4.49Å; D220-L224 PolarHBondContact O-N 3.09Å; L221-L224 WeakPolarHBondContact O-CB 3.4Å; L221-L224 PolarHBondContact O-N 3.46Å; L221-L224 VanDerWaalsContact O-N 3.16Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 3.11Å; L224-D226 PolarHBondContact O-N 3.35Å; L224-V227 PolarHBondContact O-N 2.96Å; L224-F228 HydrophobicContact CB-CD2 4.21Å; L224-F228 HydrophobicContact CB-CE1 4.32Å; L224-F228 HydrophobicContact CB-CE2 4.02Å; L224-F228 HydrophobicContact CB-CG 4.48Å; L224-F228 HydrophobicContact CB-CZ 4.1Å; L224-F228 HydrophobicContact CD2-CE1 3.92Å; L224-F228 HydrophobicContact CD2-CE2 3.55Å; L224-F228 HydrophobicContact CD2-CZ 3.2Å; L224-F228 HydrophobicContact CG-CD1 4.24Å; L224-F228 HydrophobicContact CG-CD2 4.43Å; L224-F228 HydrophobicContact CG-CE1 3.63Å; L224-F228 HydrophobicContact CG-CE2 3.86Å; L224-F228 HydrophobicContact CG-CZ 3.44Å; L224-F228 VanDerWaalsContact CG-CZ 3.44Å; L224-F228 WeakPolarHBondContact O-CB 3.15Å; L224-F228 WeakPolarHBondContact O-CG 3.42Å; L224-F228 PolarHBondContact O-N 3.37Å; L224-L272 HydrophobicContact CB-CD2 4.47Å
225E78.7Confident75.9Confident73 Ų7354.6 Ų54.634%0.34131%0.312SS..Hα-helixtrans-58.5-30.9177.6-79.3179.9172.500113L221 A222 P229 L272L221-E225 PolarHBondContact O-N 2.86Å; A222-E225 PolarHBondContact O-N 3.33Å; E225-P229 WeakPolarHBondContact O-CD 3.41Å; E225-P229 VanDerWaalsContact O-CG 3.23Å; E225-P229 WeakPolarHBondContact O-CG 3.08Å; E225-L272 HydrophobicContact CB-CD1 4.38Å; E225-L272 HydrophobicContact CG-CB 4.5Å; E225-L272 HydrophobicContact CG-CD1 3.51Å; E225-L272 HydrophobicContact CG-CG 4.43Å
226D81.5Confident76.4Confident124 Ų12455.9 Ų55.966%0.66332%0.32SS*.Hα-helixtrans-81.1-34.2177.4-67.8-29.4000112.9A222 T223 L224A222-D226 PolarHBondContact O-N 3.1Å; T223-D226 PolarHBondContact O-N 3.23Å; L224-D226 PolarHBondContact O-N 3.35Å
227V84.3Confident77.2Confident26 Ų2655 Ų5516%0.15830%0.303CS..Hα-helixtrans-91-36.7-171.2174.50000111.9F165 V194 M197 T223 L224 T230 V231F165-V227 HydrophobicContact CE1-CB 4.2Å; F165-V227 HydrophobicContact CE1-CG1 4.16Å; F165-V227 HydrophobicContact CE1-CG2 3.69Å; F165-V227 HydrophobicContact CE2-CG1 4.33Å; F165-V227 HydrophobicContact CE2-CG2 4.47Å; F165-V227 HydrophobicContact CZ-CB 4.1Å; F165-V227 HydrophobicContact CZ-CG1 3.83Å; F165-V227 HydrophobicContact CZ-CG2 3.38Å; V194-V227 HydrophobicContact CG2-CG1 3.86Å; M197-V227 HydrophobicContact CE-CG1 3.98Å; T223-V227 VanDerWaalsContact O-CG2 3.29Å; T223-V227 WeakPolarHBondContact O-CG2 3.44Å; T223-V227 PolarHBondContact O-N 3.49Å; L224-V227 PolarHBondContact O-N 2.96Å; V227-T230 WeakPolarHBondContact O-CA 3.28Å; V227-T230 WeakPolarHBondContact O-CB 3.45Å; V227-T230 PolarHBondContact O-N 2.86Å; V227-V231 HydrophobicContact CG1-CG2 4.05Å; V227-V231 PolarHBondContact O-N 2.89Å
228F84.1Confident78Confident1 Ų151.9 Ų51.90%0.00429%0.29CS..Hα-helixtrans-59.2-39.4-179.1-77.7-1.7000114.2L162 M197 F201 F210 L224 T230 V231 V232 L272 L276L162-F228 HydrophobicContact CD2-CE1 3.83Å; L162-F228 HydrophobicContact CD2-CZ 3.87Å; M197-F228 HydrophobicContact SD-CE1 4.31Å; F201-F228 HydrophobicContact CE2-CD1 4.22Å; F201-F228 HydrophobicContact CE2-CE1 4.04Å; F201-F228 HydrophobicContact CE2-CZ 4.38Å; F201-F228 HydrophobicContact CZ-CD1 4.38Å; F201-F228 HydrophobicContact CZ-CE1 4.4Å; F201-F228 HydrophobicContact CZ-CG 4.45Å; F201-F228 HydrophobicContact CZ-CZ 4.48Å; F210-F228 AromaticContact CE2-CE2 3.89Å; F210-F228 HydrophobicContact CE2-CE2 3.89Å; F210-F228 HydrophobicContact CE2-CZ 4.12Å; L224-F228 HydrophobicContact CB-CD2 4.21Å; L224-F228 HydrophobicContact CB-CE1 4.32Å; L224-F228 HydrophobicContact CB-CE2 4.02Å; L224-F228 HydrophobicContact CB-CG 4.48Å; L224-F228 HydrophobicContact CB-CZ 4.1Å; L224-F228 HydrophobicContact CD2-CE1 3.92Å; L224-F228 HydrophobicContact CD2-CE2 3.55Å; L224-F228 HydrophobicContact CD2-CZ 3.2Å; L224-F228 HydrophobicContact CG-CD1 4.24Å; L224-F228 HydrophobicContact CG-CD2 4.43Å; L224-F228 HydrophobicContact CG-CE1 3.63Å; L224-F228 HydrophobicContact CG-CE2 3.86Å; L224-F228 HydrophobicContact CG-CZ 3.44Å; L224-F228 VanDerWaalsContact CG-CZ 3.44Å; L224-F228 WeakPolarHBondContact O-CB 3.15Å; L224-F228 WeakPolarHBondContact O-CG 3.42Å; L224-F228 PolarHBondContact O-N 3.37Å; F228-T230 VanDerWaalsContact C-N 3.3Å; F228-T230 PolarHBondContact O-N 3.39Å; F228-V231 PolarHBondContact O-N 3.4Å; F228-V232 WeakPolarHBondContact O-CB 3.28Å; F228-V232 WeakPolarHBondContact O-CG2 3.33Å; F228-V232 PolarHBondContact O-N 2.83Å; F228-L272 HydrophobicContact CD2-CD1 3.92Å; F228-L272 HydrophobicContact CD2-CD2 3.98Å; F228-L272 HydrophobicContact CD2-CG 4.3Å; F228-L272 HydrophobicContact CE2-CD2 3.84Å; F228-L276 HydrophobicContact CB-CD2 3.91Å; F228-L276 HydrophobicContact CD2-CD1 3.73Å; F228-L276 HydrophobicContact CD2-CD2 3.85Å; F228-L276 HydrophobicContact CD2-CG 4.07Å; F228-L276 HydrophobicContact CE2-CD1 3.96Å; F228-L276 HydrophobicContact CG-CD2 4.16Å
229P83.6Confident79.1Confident35 Ų3551 Ų5123%0.22728%0.278CS..Hα-helixtrans-55.5-47.3170.3-25.534.5000111.4E225 V231 V232 H233 L279E225-P229 WeakPolarHBondContact O-CD 3.41Å; E225-P229 VanDerWaalsContact O-CG 3.23Å; E225-P229 WeakPolarHBondContact O-CG 3.08Å; P229-V231 PolarHBondContact O-N 3.33Å; P229-V232 PolarHBondContact O-N 3.07Å; P229-V232 VanDerWaalsContact O-N 3.17Å; P229-H233 PolarHBondContact O-N 2.89Å; P229-H233 PolarHBondContact O-ND1 3.43Å; P229-L279 HydrophobicContact CB-CD1 4.01Å; P229-L279 HydrophobicContact CG-CD1 3.89Å
230T85.2Confident80.2Confident88 Ų8843.5 Ų43.554%0.5424%0.239SC..Hα-helixtrans-61.1-45.3179.3-54.10000112V227 F228 V232 H233 S234V227-T230 WeakPolarHBondContact O-CA 3.28Å; V227-T230 WeakPolarHBondContact O-CB 3.45Å; V227-T230 PolarHBondContact O-N 2.86Å; F228-T230 VanDerWaalsContact C-N 3.3Å; F228-T230 PolarHBondContact O-N 3.39Å; T230-V232 VanDerWaalsContact C-N 3.34Å; T230-V232 PolarHBondContact O-N 2.99Å; T230-H233 PolarHBondContact O-N 3.46Å; T230-S234 PolarHBondContact O-N 3.04Å; T230-S234 PolarHBondContact O-OG 3.34Å
231V83.8Confident80.5Confident0 Ų042.1 Ų42.10%023%0.231CC..Hα-helixtrans-58.9-47.5173.6176.10000110.2V194 M197 A198 F201 V227 F228 P229 H233 S234 L235V194-V231 HydrophobicContact CG1-CG2 4.04Å; M197-V231 HydrophobicContact CB-CG1 3.92Å; M197-V231 HydrophobicContact CB-CG2 4.05Å; M197-V231 HydrophobicContact CE-CG2 4.07Å; A198-V231 HydrophobicContact CB-CG1 4.47Å; F201-V231 HydrophobicContact CD2-CG1 3.82Å; F201-V231 HydrophobicContact CE2-CG1 4.09Å; F201-V231 HydrophobicContact CG-CG1 4.3Å; V227-V231 HydrophobicContact CG1-CG2 4.05Å; V227-V231 PolarHBondContact O-N 2.89Å; F228-V231 PolarHBondContact O-N 3.4Å; P229-V231 PolarHBondContact O-N 3.33Å; V231-H233 PolarHBondContact O-N 3.41Å; V231-S234 PolarHBondContact O-N 3.04Å; V231-S234 PolarHBondContact O-OG 3.23Å; V231-L235 HydrophobicContact CG1-CD2 4.46Å; V231-L235 WeakPolarHBondContact O-CG 3.36Å; V231-L235 PolarHBondContact O-N 2.88Å
232V81.6Confident81Confident0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-63.2-30.1-179.4171.40000112F201 F228 P229 T230 L235 L276 L279 C280 R283F201-V232 HydrophobicContact CE1-CG2 4.34Å; F228-V232 WeakPolarHBondContact O-CB 3.28Å; F228-V232 WeakPolarHBondContact O-CG2 3.33Å; F228-V232 PolarHBondContact O-N 2.83Å; P229-V232 PolarHBondContact O-N 3.07Å; P229-V232 VanDerWaalsContact O-N 3.17Å; T230-V232 VanDerWaalsContact C-N 3.34Å; T230-V232 PolarHBondContact O-N 2.99Å; V232-L235 HydrophobicContact CB-CD1 4.28Å; V232-L235 HydrophobicContact CG1-CD1 4.34Å; V232-L235 HydrophobicContact CG2-CD1 4.24Å; V232-L276 HydrophobicContact CG2-CD2 3.85Å; V232-L279 HydrophobicContact CG1-CB 3.9Å; V232-C280 HydrophobicContact CG1-CB 4.49Å; V232-R283 WeakPolarHBondContact O-CD 3.44Å; V232-R283 PolarHBondContact O-NE 3.16Å; V232-R283 PolarHBondContact O-NH1 3.17Å
233H81.9Confident81.1Confident121 Ų12141 Ų4156%0.5622%0.216SC*.Hα-helixtrans-79.2-16.8174-70.985.9000113.7P229 T230 V231 R283P229-H233 PolarHBondContact O-N 2.89Å; P229-H233 PolarHBondContact O-ND1 3.43Å; T230-H233 PolarHBondContact O-N 3.46Å; V231-H233 PolarHBondContact O-N 3.41Å; H233-R283 PolarHBondContact O-NE 2.83Å; H233-R283 PolarHBondContact O-NH1 3.38Å; H233-R283 PolarHBondContact O-NH2 2.83Å
234S83.4Confident81.2Confident61 Ų6140.6 Ų40.643%0.42721%0.213SC..Hα-helixtrans-101.3-16.5179.8660000114.8A198 T230 V231A198-S234 VanDerWaalsContact CB-OG 3.24Å; A198-S234 WeakPolarHBondContact CB-OG 3.49Å; T230-S234 PolarHBondContact O-N 3.04Å; T230-S234 PolarHBondContact O-OG 3.34Å; V231-S234 PolarHBondContact O-N 3.04Å; V231-S234 PolarHBondContact O-OG 3.23Å
235L83.4Confident81.2Confident2 Ų241.9 Ų41.91%0.0122%0.221CC..SBendtrans-46.3149.3175.3-56.7154.1000113F201 V231 V232 E239 A240 V243 R283F201-L235 HydrophobicContact CB-CD2 3.37Å; F201-L235 HydrophobicContact CD1-CD1 4.48Å; F201-L235 HydrophobicContact CD1-CD2 4.19Å; F201-L235 HydrophobicContact CG-CD2 3.97Å; V231-L235 HydrophobicContact CG1-CD2 4.46Å; V231-L235 WeakPolarHBondContact O-CG 3.36Å; V231-L235 PolarHBondContact O-N 2.88Å; V232-L235 HydrophobicContact CB-CD1 4.28Å; V232-L235 HydrophobicContact CG1-CD1 4.34Å; V232-L235 HydrophobicContact CG2-CD1 4.24Å; L235-E239 HydrophobicContact CD2-CG 4.03Å; L235-A240 HydrophobicContact CB-CB 4.43Å; L235-A240 HydrophobicContact CD1-CB 4.41Å; L235-V243 HydrophobicContact CD2-CG2 4.37Å; L235-R283 VanDerWaalsContact C-NH1 3.31Å; L235-R283 PolarHBondContact O-NH1 2.87Å; L235-R283 PolarHBondContact O-NH2 3.04Å
236Q81.5Confident81.3Confident135 Ų13542.5 Ų42.563%0.63122%0.223SC*.  trans-73.7151.9164.7-65.2-178.6-26.500110.2E238 E239 A240Q236-E238 PolarHBondContact O-N 3.43Å; Q236-E239 PolarHBondContact O-N 3.28Å; Q236-E239 VanDerWaalsContact O-N 3.11Å; Q236-A240 PolarHBondContact O-N 2.89Å
237L77.8Confident81.1Confident34 Ų3436.8 Ų36.818%0.17819%0.192CC..Hα-helixtrans-60.6-32.5-178.4-63.4175000112.5A240 C241 H287 L290 V291L237-A240 PolarHBondContact O-N 3.33Å; L237-C241 PolarHBondContact O-N 3.13Å; L237-C241 PolarHBondContact O-SG 2.83Å; L237-H287 HydrophobicContact CD1-CB 4.28Å; L237-H287 HydrophobicContact CD2-CB 3.68Å; L237-L290 HydrophobicContact CD1-CB 3.53Å; L237-L290 HydrophobicContact CD1-CD1 4.08Å; L237-L290 HydrophobicContact CD1-CG 4.47Å; L237-V291 HydrophobicContact CB-CG2 4.4Å; L237-V291 HydrophobicContact CD1-CG2 4.31Å; L237-V291 HydrophobicContact CD2-CG2 3.91Å; L237-V291 HydrophobicContact CG-CG2 4.44Å
238E77.9Confident80.7Confident76 Ų7638.5 Ų38.536%0.35520%0.198SC..Hα-helixtrans-65.6-41.8175.8-63.7-170.516100112.1Q236 C294 N296Q236-E238 PolarHBondContact O-N 3.43Å; E238-C294 HydrophobicContact CG-CB 4.23Å; E238-N296 PolarHBondContact O-ND2 3.13Å
239E80.3Confident80.4Confident25 Ų2542.7 Ų42.712%0.11722%0.221CC..Hα-helixtrans-72.6-38.1177.1-17262.1-166.600111.1F201 S202 L235 Q236 C241 L242 V243F201-E239 PolarHBondContact N-OE1 3Å; S202-E239 WeakPolarHBondContact CB-OE1 3.36Å; S202-E239 PolarHBondContact N-OE1 2.83Å; S202-E239 PolarHBondContact OG-OE1 3.11Å; L235-E239 HydrophobicContact CD2-CG 4.03Å; Q236-E239 PolarHBondContact O-N 3.28Å; Q236-E239 VanDerWaalsContact O-N 3.11Å; E239-C241 VanDerWaalsContact C-N 3.25Å; E239-C241 PolarHBondContact O-N 2.92Å; E239-L242 WeakPolarHBondContact O-CB 3.07Å; E239-L242 PolarHBondContact O-N 3.02Å; E239-V243 HydrophobicContact CG-CG2 4.24Å; E239-V243 WeakPolarHBondContact O-CB 3.4Å; E239-V243 WeakPolarHBondContact O-CG2 3.39Å; E239-V243 PolarHBondContact O-N 2.99Å
240A79.6Confident79.9Confident1 Ų141.9 Ų41.91%0.00822%0.215CC..Hα-helixtrans-58.6-36.117600000112.6L235 Q236 L237 L244 L284L235-A240 HydrophobicContact CB-CB 4.43Å; L235-A240 HydrophobicContact CD1-CB 4.41Å; Q236-A240 PolarHBondContact O-N 2.89Å; L237-A240 PolarHBondContact O-N 3.33Å; A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 PolarHBondContact O-N 3.39Å; A240-L284 HydrophobicContact CB-CD2 3.89Å; A240-L284 HydrophobicContact CB-CG 4.37Å
241C76.5Confident79.3Confident0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-63.7-46.3173.5-65.10000111.6L237 E239 L244 V245 N296 L300L237-C241 PolarHBondContact O-N 3.13Å; L237-C241 PolarHBondContact O-SG 2.83Å; E239-C241 VanDerWaalsContact C-N 3.25Å; E239-C241 PolarHBondContact O-N 2.92Å; C241-L244 PolarHBondContact O-N 3.2Å; C241-V245 WeakPolarHBondContact O-CG2 3.3Å; C241-V245 PolarHBondContact O-N 2.92Å; C241-N296 HydrophobicContact CB-CB 3.89Å; C241-L300 HydrophobicContact CB-CD1 4.4Å; C241-L300 HydrophobicContact CB-CG 4.45Å
242L81.1Confident78.8Confident48 Ų4844.8 Ų44.825%0.25123%0.229SC..Hα-helixtrans-63.4-43.7178-67.8175.3000111.5E239 L244 V245 K246 N296 L299E239-L242 WeakPolarHBondContact O-CB 3.07Å; E239-L242 PolarHBondContact O-N 3.02Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 2.84Å; L242-V245 PolarHBondContact O-N 3.43Å; L242-K246 WeakPolarHBondContact O-CB 3.18Å; L242-K246 VanDerWaalsContact O-CG 3.25Å; L242-K246 WeakPolarHBondContact O-CG 3.32Å; L242-K246 PolarHBondContact O-N 3.36Å; L242-N296 WeakPolarHBondContact CD1-ND2 3.46Å; L242-N296 HydrophobicContact CD2-CB 4.45Å; L242-N296 HydrophobicContact CG-CB 4.42Å; L242-N296 WeakPolarHBondContact CG-ND2 3.37Å; L242-L299 HydrophobicContact CD2-CD1 3.51Å
243V80.9Confident78.4Confident0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-57.6-45.6175.6167.80000110.9F201 L205 L235 E239 V245 K246 L247 C280F201-V243 HydrophobicContact CB-CG2 3.74Å; F201-V243 HydrophobicContact CD1-CB 4.26Å; F201-V243 HydrophobicContact CD1-CG1 3.61Å; F201-V243 HydrophobicContact CD1-CG2 3.58Å; F201-V243 HydrophobicContact CE1-CG1 3.96Å; F201-V243 HydrophobicContact CG-CG2 4.15Å; L205-V243 HydrophobicContact CD1-CG1 3.83Å; L235-V243 HydrophobicContact CD2-CG2 4.37Å; E239-V243 HydrophobicContact CG-CG2 4.24Å; E239-V243 WeakPolarHBondContact O-CB 3.4Å; E239-V243 WeakPolarHBondContact O-CG2 3.39Å; E239-V243 PolarHBondContact O-N 2.99Å; V243-V245 PolarHBondContact O-N 3.47Å; V243-K246 PolarHBondContact O-N 2.96Å; V243-L247 HydrophobicContact CG1-CD1 3.72Å; V243-L247 HydrophobicContact CG1-CG 4.16Å; V243-L247 WeakPolarHBondContact O-CB 3.13Å; V243-L247 VanDerWaalsContact O-CG 3.28Å; V243-L247 WeakPolarHBondContact O-CG 3.31Å; V243-L247 PolarHBondContact O-N 3.39Å; V243-C280 VanDerWaalsContact CG1-SG 3.57Å
244L78.6Confident77.7Confident0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-65.1-40.4-179.1-164.573.8000111.8A240 C241 L242 L247 H248 Y277 C280 D281 L284 L300 M304A240-L244 WeakPolarHBondContact O-CB 3.4Å; A240-L244 PolarHBondContact O-N 3.39Å; C241-L244 PolarHBondContact O-N 3.2Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 2.84Å; L244-L247 PolarHBondContact O-N 3.42Å; L244-H248 WeakPolarHBondContact O-CB 3.27Å; L244-H248 PolarHBondContact O-N 3.21Å; L244-Y277 HydrophobicContact CD1-CD2 3.79Å; L244-Y277 HydrophobicContact CD1-CE2 3.72Å; L244-Y277 HydrophobicContact CD1-CG 4.37Å; L244-Y277 HydrophobicContact CG-CE2 4.2Å; L244-C280 HydrophobicContact CD1-CB 3.85Å; L244-D281 HydrophobicContact CD1-CB 4.36Å; L244-L284 HydrophobicContact CB-CD1 3.98Å; L244-L284 HydrophobicContact CD2-CD1 3.58Å; L244-L284 HydrophobicContact CG-CD1 4.23Å; L244-L300 HydrophobicContact CB-CD2 4.18Å; L244-L300 HydrophobicContact CD2-CD2 3.92Å; L244-L300 HydrophobicContact CG-CD2 4.49Å; L244-M304 HydrophobicContact CB-CE 4.06Å; L244-M304 HydrophobicContact CD1-CE 4.39Å; L244-M304 HydrophobicContact CD2-CE 3.2Å; L244-M304 HydrophobicContact CG-CE 3.25Å
245V79.7Confident76.9Confident29 Ų2943.4 Ų43.418%0.17622%0.222CC..Hα-helixtrans-61.9-44.8172.9176.20000110.8C241 L242 V243 H248 N249 L299 L300C241-V245 WeakPolarHBondContact O-CG2 3.3Å; C241-V245 PolarHBondContact O-N 2.92Å; L242-V245 PolarHBondContact O-N 3.43Å; V243-V245 PolarHBondContact O-N 3.47Å; V245-H248 WeakPolarHBondContact O-CB 3.16Å; V245-H248 PolarHBondContact O-N 3.4Å; V245-N249 VanDerWaalsContact O-CG 3.28Å; V245-N249 PolarHBondContact O-N 3.47Å; V245-N249 PolarHBondContact O-ND2 2.98Å; V245-L299 HydrophobicContact CG2-CB 4.41Å; V245-L299 VanDerWaalsContact CG2-O 3.22Å; V245-L299 WeakPolarHBondContact CG2-O 3.45Å; V245-L300 HydrophobicContact CG2-CD2 3.91Å; V245-L300 HydrophobicContact CG2-CG 4.49Å
246K79.6Confident75.9Confident87 Ų8746.2 Ų46.238%0.37824%0.242SC..Hα-helixtrans-64.5-44178.7-71.2-69.9-174.61660111.9L242 V243 H248 N249 L250L242-K246 WeakPolarHBondContact O-CB 3.18Å; L242-K246 VanDerWaalsContact O-CG 3.25Å; L242-K246 WeakPolarHBondContact O-CG 3.32Å; L242-K246 PolarHBondContact O-N 3.36Å; V243-K246 PolarHBondContact O-N 2.96Å; K246-H248 VanDerWaalsContact C-N 3.32Å; K246-H248 PolarHBondContact O-N 2.84Å; K246-N249 PolarHBondContact O-N 3.28Å; K246-L250 WeakPolarHBondContact O-CB 3.3Å; K246-L250 VanDerWaalsContact O-CG 3.28Å; K246-L250 WeakPolarHBondContact O-CG 3.32Å; K246-L250 PolarHBondContact O-N 2.99Å
247L78.8Confident75.1Confident3 Ų340.8 Ų40.82%0.01622%0.216CC..Hα-helixtrans-63-38.3175.3-72.8173.4000111.9L205 V243 L244 L250 K251 L273 L276 Y277 C280L205-L247 HydrophobicContact CD1-CD1 4.44Å; L205-L247 HydrophobicContact CD1-CD2 3.64Å; L205-L247 HydrophobicContact CD1-CG 3.77Å; L205-L247 HydrophobicContact CD2-CD2 4.17Å; V243-L247 HydrophobicContact CG1-CD1 3.72Å; V243-L247 HydrophobicContact CG1-CG 4.16Å; V243-L247 WeakPolarHBondContact O-CB 3.13Å; V243-L247 VanDerWaalsContact O-CG 3.28Å; V243-L247 WeakPolarHBondContact O-CG 3.31Å; V243-L247 PolarHBondContact O-N 3.39Å; L244-L247 PolarHBondContact O-N 3.42Å; L247-L250 PolarHBondContact O-N 3.08Å; L247-K251 VanDerWaalsContact O-CB 3.26Å; L247-K251 WeakPolarHBondContact O-CB 3.26Å; L247-K251 PolarHBondContact O-N 2.98Å; L247-L273 HydrophobicContact CD2-CD2 3.94Å; L247-L276 HydrophobicContact CD1-CB 4.04Å; L247-L276 HydrophobicContact CD2-CB 4.21Å; L247-L276 HydrophobicContact CD2-CD1 4.39Å; L247-Y277 HydrophobicContact CB-CD2 4.28Å; L247-C280 HydrophobicContact CD1-CB 4.41Å
248H74.8Confident74.2Confident62 Ų6242.7 Ų42.729%0.28723%0.23SC..Hα-helixtrans-62-46.8173.9-177.6-87.3000111.3L244 V245 K246 K251 A252 Y277 M304L244-H248 WeakPolarHBondContact O-CB 3.27Å; L244-H248 PolarHBondContact O-N 3.21Å; V245-H248 WeakPolarHBondContact O-CB 3.16Å; V245-H248 PolarHBondContact O-N 3.4Å; K246-H248 VanDerWaalsContact C-N 3.32Å; K246-H248 PolarHBondContact O-N 2.84Å; H248-K251 PolarHBondContact O-N 2.93Å; H248-A252 PolarHBondContact O-N 3.49Å; H248-Y277 HydrophobicContact CB-CE2 4.47Å; H248-M304 HydrophobicContact CB-CE 4.29Å; H248-M304 HydrophobicContact CB-SD 4.36Å
249N78.1Confident73.3Confident89 Ų8947.2 Ų47.248%0.47625%0.251SS..Hα-helixtrans-66-39177.6-67.5-17.1000112.2V245 K246 A252 F253V245-N249 VanDerWaalsContact O-CG 3.28Å; V245-N249 PolarHBondContact O-N 3.47Å; V245-N249 PolarHBondContact O-ND2 2.98Å; K246-N249 PolarHBondContact O-N 3.28Å; N249-A252 PolarHBondContact O-N 2.83Å; N249-F253 VanDerWaalsContact O-CB 3.26Å; N249-F253 WeakPolarHBondContact O-CB 3.25Å; N249-F253 PolarHBondContact O-N 3.02Å
250L72.8Confident72.3Confident19 Ų1948.6 Ų48.610%0.09927%0.267CS..Hα-helixtrans-65.6-41.7174.8-75.2172.8000111.5L205 F210 L211 K246 L247 A252 F253 V254L205-L250 HydrophobicContact CB-CD1 4.02Å; L205-L250 WeakPolarHBondContact O-CD1 3.36Å; F210-L250 HydrophobicContact CE1-CD1 4.37Å; L211-L250 HydrophobicContact CD2-CD2 3.7Å; K246-L250 WeakPolarHBondContact O-CB 3.3Å; K246-L250 VanDerWaalsContact O-CG 3.28Å; K246-L250 WeakPolarHBondContact O-CG 3.32Å; K246-L250 PolarHBondContact O-N 2.99Å; L247-L250 PolarHBondContact O-N 3.08Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 3.31Å; L250-F253 PolarHBondContact O-N 2.83Å; L250-V254 WeakPolarHBondContact O-CB 3.43Å; L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.5Å
251K73.3Confident71.1Confident96 Ų9653 Ų5342%0.41730%0.303SS..Hα-helixtrans-61.5-42.6174.5-174.9-178.7176.9-174.40111.2L247 H248 S255L247-K251 VanDerWaalsContact O-CB 3.26Å; L247-K251 WeakPolarHBondContact O-CB 3.26Å; L247-K251 PolarHBondContact O-N 2.98Å; H248-K251 PolarHBondContact O-N 2.93Å; K251-S255 WeakPolarHBondContact O-CB 3.26Å; K251-S255 PolarHBondContact O-N 2.85Å; K251-S255 PolarHBondContact O-OG 3.26Å
252A73.2Confident70.2Confident52 Ų5260.9 Ų60.943%0.4334%0.34SS..Hα-helixtrans-63.4-43.7174.400000111.8H248 N249 L250 S255 S256H248-A252 PolarHBondContact O-N 3.49Å; N249-A252 PolarHBondContact O-N 2.83Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 3.31Å; A252-S255 PolarHBondContact O-N 2.73Å; A252-S256 WeakPolarHBondContact O-CB 3.32Å; A252-S256 PolarHBondContact O-N 3.13Å; A252-S256 PolarHBondContact O-OG 3.36Å
253F72.4Confident69.1Low91 Ų9159.6 Ų59.640%0.39934%0.336SS..Hα-helixtrans-67.2-38.3179.5-178.2-115.6000113.7N249 L250 S256 Q257N249-F253 VanDerWaalsContact O-CB 3.26Å; N249-F253 WeakPolarHBondContact O-CB 3.25Å; N249-F253 PolarHBondContact O-N 3.02Å; L250-F253 PolarHBondContact O-N 2.83Å; F253-S256 WeakPolarHBondContact CA-OG 3.5Å; F253-S256 PolarHBondContact O-OG 3.23Å; F253-Q257 VanDerWaalsContact CE2-NE2 3.27Å; F253-Q257 WeakPolarHBondContact O-CB 3.13Å; F253-Q257 PolarHBondContact O-N 3.44Å; F253-Q257 VanDerWaalsContact O-N 3.08Å; F253-Q257 PolarHBondContact O-NE2 3.27Å
254V68Low68.2Low6 Ų668.5 Ų68.54%0.03638%0.378CS..Hα-helixtrans-69.6-41.7174.41710000109.9L250 Q257 T258 W265 F269 I270 L273L250-V254 WeakPolarHBondContact O-CB 3.43Å; L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.5Å; V254-Q257 PolarHBondContact O-N 2.95Å; V254-T258 WeakPolarHBondContact O-CB 3.07Å; V254-T258 PolarHBondContact O-N 3.11Å; V254-T258 PolarHBondContact O-OG1 3.23Å; V254-W265 HydrophobicContact CG1-CB 4.36Å; V254-W265 HydrophobicContact CG1-CD2 3.97Å; V254-W265 HydrophobicContact CG1-CE3 4.46Å; V254-W265 HydrophobicContact CG1-CG 3.9Å; V254-W265 HydrophobicContact CG2-CD2 4.07Å; V254-W265 HydrophobicContact CG2-CE3 4.05Å; V254-W265 HydrophobicContact CG2-CH2 4Å; V254-W265 HydrophobicContact CG2-CZ2 4.01Å; V254-W265 HydrophobicContact CG2-CZ3 4.02Å; V254-F269 HydrophobicContact CG2-CE1 4.24Å; V254-I270 HydrophobicContact CG1-CG1 4.15Å; V254-L273 HydrophobicContact CG2-CD1 3.99Å
255S66.1Low67.6Low56 Ų5669.5 Ų69.539%0.39238%0.381SS..Hα-helixtrans-63.1-44.8176.7-54.40000111.1K251 A252 Q257 T258 E259K251-S255 WeakPolarHBondContact O-CB 3.26Å; K251-S255 PolarHBondContact O-N 2.85Å; K251-S255 PolarHBondContact O-OG 3.26Å; A252-S255 PolarHBondContact O-N 2.73Å; S255-Q257 PolarHBondContact O-N 2.86Å; S255-T258 PolarHBondContact O-N 3.49Å; S255-E259 WeakPolarHBondContact O-CG 3.23Å; S255-E259 PolarHBondContact O-N 3.33Å
256S63.8Low67.3Low61 Ų6169.8 Ų69.843%0.42738%0.382SS..Hα-helixtrans-65.7-37.1178.364.40000113.3A252 F253 A260A252-S256 WeakPolarHBondContact O-CB 3.32Å; A252-S256 PolarHBondContact O-N 3.13Å; A252-S256 PolarHBondContact O-OG 3.36Å; F253-S256 WeakPolarHBondContact CA-OG 3.5Å; F253-S256 PolarHBondContact O-OG 3.23Å; S256-A260 WeakPolarHBondContact O-CB 3.37Å; S256-A260 PolarHBondContact O-N 3.4Å
257Q63.4Low67.1Low22 Ų2273.6 Ų73.610%0.10340%0.401CS..Hα-helixtrans-74.7-31.4176.1-89.5167.598.900113.3F253 V254 S255 E259 A260 A261F253-Q257 VanDerWaalsContact CE2-NE2 3.27Å; F253-Q257 WeakPolarHBondContact O-CB 3.13Å; F253-Q257 PolarHBondContact O-N 3.44Å; F253-Q257 VanDerWaalsContact O-N 3.08Å; F253-Q257 PolarHBondContact O-NE2 3.27Å; V254-Q257 PolarHBondContact O-N 2.95Å; S255-Q257 PolarHBondContact O-N 2.86Å; Q257-E259 VanDerWaalsContact C-N 3.31Å; Q257-A260 PolarHBondContact O-N 3.27Å; Q257-A261 PolarHBondContact O-N 3.39Å
258T59.7Low66.9Low74 Ų7479.9 Ų79.945%0.45443%0.428SS..Hα-helixtrans-65.4-39.7174.1-55.60000110.1V254 S255V254-T258 WeakPolarHBondContact O-CB 3.07Å; V254-T258 PolarHBondContact O-N 3.11Å; V254-T258 PolarHBondContact O-OG1 3.23Å; S255-T258 PolarHBondContact O-N 3.49Å
259E59.2Low67.1Low170 Ų17077 Ų7779%0.79442%0.415SS*.Hα-helixtrans-70.4-31.2175-71.4175.5-174.400113.2S255 Q257 A261S255-E259 WeakPolarHBondContact O-CG 3.23Å; S255-E259 PolarHBondContact O-N 3.33Å; Q257-E259 VanDerWaalsContact C-N 3.31Å; E259-A261 VanDerWaalsContact C-N 3.29Å; E259-A261 PolarHBondContact O-N 3.36Å
260A57.9Low67Low55 Ų5575.2 Ų75.246%0.45541%0.405SS..THydrogen-bonded Turntrans-79.1-3.8178.500000114.5S256 Q257 E262S256-A260 WeakPolarHBondContact O-CB 3.37Å; S256-A260 PolarHBondContact O-N 3.4Å; Q257-A260 PolarHBondContact O-N 3.27Å; A260-E262 HydrophobicContact CB-CG 4.36Å; A260-E262 PolarHBondContact O-N 3.22Å
261A56.2Low67.4Low94 Ų9480 Ų8078%0.77743%0.427SS*.THydrogen-bonded Turntrans55.518.2-178.300000115.6Q257 E259Q257-A261 PolarHBondContact O-N 3.39Å; E259-A261 VanDerWaalsContact C-N 3.29Å; E259-A261 PolarHBondContact O-N 3.36Å
262E56.5Low67.7Low165 Ų16575.6 Ų75.677%0.77141%0.408SS*.SBendtrans-88.9-17.7-177-70.4-176.2164.900113.5A260A260-E262 HydrophobicContact CB-CG 4.36Å; A260-E262 PolarHBondContact O-N 3.22Å
263A58.2Low68Low21 Ų2173.6 Ų73.617%0.17439%0.39CS..  trans-147.2123-179.800000112.2W265A263-W265 PolarHBondContact O-N 3Å; A263-W265 VanDerWaalsContact O-N 3.07Å
264E61.4Low68.4Low187 Ų18774.4 Ų74.487%0.87439%0.393SS*.  trans-75.291.5170-68.2-177.8176.900109.3
265W66.8Low69.1Low20 Ų2080.1 Ų80.18%0.07641%0.414CS..  trans-70.7135.5172.8-68.190.6000110.4L211 G214 K215 V254 A263 E267 F269 I270L211-W265 HydrophobicContact CD2-CH2 4.18Å; G214-W265 WeakPolarHBondContact O-CA 3.14Å; K215-W265 HydrophobicContact CG-CE3 4.48Å; K215-W265 HydrophobicContact CG-CH2 4.1Å; K215-W265 HydrophobicContact CG-CZ2 4.27Å; K215-W265 HydrophobicContact CG-CZ3 4.2Å; V254-W265 HydrophobicContact CG1-CB 4.36Å; V254-W265 HydrophobicContact CG1-CD2 3.97Å; V254-W265 HydrophobicContact CG1-CE3 4.46Å; V254-W265 HydrophobicContact CG1-CG 3.9Å; V254-W265 HydrophobicContact CG2-CD2 4.07Å; V254-W265 HydrophobicContact CG2-CE3 4.05Å; V254-W265 HydrophobicContact CG2-CH2 4Å; V254-W265 HydrophobicContact CG2-CZ2 4.01Å; V254-W265 HydrophobicContact CG2-CZ3 4.02Å; A263-W265 PolarHBondContact O-N 3Å; A263-W265 VanDerWaalsContact O-N 3.07Å; W265-E267 PolarHBondContact O-N 2.87Å; W265-F269 AromaticContact CE3-CD1 3.67Å; W265-F269 HydrophobicContact CE3-CD1 3.67Å; W265-F269 AromaticContact CE3-CE1 3.59Å; W265-F269 HydrophobicContact CE3-CE1 3.59Å; W265-F269 HydrophobicContact CZ3-CD1 4.02Å; W265-F269 AromaticContact CZ3-CE1 3.46Å; W265-F269 HydrophobicContact CZ3-CE1 3.46Å; W265-F269 VanDerWaalsContact CZ3-CE1 3.46Å; W265-F269 HydrophobicContact CZ3-CZ 4.11Å; W265-I270 HydrophobicContact CB-CD1 4.33Å; W265-I270 HydrophobicContact CB-CG1 4.49Å
266N72.3Confident69.9Low35 Ų3577.5 Ų77.519%0.18740%0.396CS..  trans-65127.8176-179.1-2.4000110.9G214 A218 K268 F269 I270G214-N266 PolarHBondContact O-N 2.99Å; A218-N266 WeakPolarHBondContact CB-ND2 3.49Å; N266-K268 PolarHBondContact O-N 3.27Å; N266-K268 VanDerWaalsContact O-N 3.16Å; N266-K268 PolarHBondContact OD1-N 3.12Å; N266-F269 HydrophobicContact CB-CB 4.17Å; N266-F269 WeakPolarHBondContact O-CA 3.45Å; N266-F269 VanDerWaalsContact O-CB 3.27Å; N266-F269 WeakPolarHBondContact O-CB 3.32Å; N266-F269 PolarHBondContact O-N 3.11Å; N266-I270 PolarHBondContact O-N 3.37Å
267E75.6Confident70.8Confident167 Ų16776.2 Ų76.278%0.7838%0.382SS*.Hα-helixtrans-54.5-36.4177.6-67.1-174.8167.200112.7W265 F269 I270 H271W265-E267 PolarHBondContact O-N 2.87Å; E267-F269 VanDerWaalsContact C-N 3.28Å; E267-F269 PolarHBondContact O-N 3.24Å; E267-I270 PolarHBondContact O-N 2.88Å; E267-H271 PolarHBondContact O-N 3.15Å
268K75.8Confident71.7Confident135 Ų13580.1 Ų80.159%0.58740%0.4SS*.Hα-helixtrans-64.3-36.1176.9-56.8-176.4177.3179.50111.6L221 N266 H271 L272L221-K268 HydrophobicContact CD2-CB 3.45Å; L221-K268 VanDerWaalsContact CD2-CB 3.45Å; L221-K268 WeakPolarHBondContact CD2-O 3.42Å; N266-K268 PolarHBondContact O-N 3.27Å; N266-K268 VanDerWaalsContact O-N 3.16Å; N266-K268 PolarHBondContact OD1-N 3.12Å; K268-H271 PolarHBondContact O-N 3.47Å; K268-L272 WeakPolarHBondContact O-CB 3.43Å; K268-L272 PolarHBondContact O-N 3.46Å
269F78.6Confident72.9Confident2 Ų277.8 Ų77.81%0.00939%0.385CS..Hα-helixtrans-66.7-40.1176.5-179.1-99.9000111.4F210 L221 V254 W265 N266 E267 H271 L272 L273F210-F269 HydrophobicContact CD1-CE2 4.19Å; F210-F269 HydrophobicContact CD1-CZ 4.09Å; F210-F269 HydrophobicContact CD2-CE2 4.29Å; F210-F269 AromaticContact CE1-CE2 3.69Å; F210-F269 HydrophobicContact CE1-CE2 3.69Å; F210-F269 AromaticContact CE1-CZ 3.58Å; F210-F269 HydrophobicContact CE1-CZ 3.58Å; F210-F269 AromaticContact CE2-CE2 3.79Å; F210-F269 HydrophobicContact CE2-CE2 3.79Å; F210-F269 HydrophobicContact CG-CE2 4.48Å; F210-F269 HydrophobicContact CZ-CD2 4.49Å; F210-F269 AromaticContact CZ-CE2 3.47Å; F210-F269 HydrophobicContact CZ-CE2 3.47Å; F210-F269 VanDerWaalsContact CZ-CE2 3.47Å; F210-F269 AromaticContact CZ-CZ 3.83Å; F210-F269 HydrophobicContact CZ-CZ 3.83Å; F210-F269 WeakPolarHBondContact O-CE2 3.14Å; L221-F269 HydrophobicContact CD1-CD2 4.33Å; L221-F269 HydrophobicContact CD2-CB 4.36Å; V254-F269 HydrophobicContact CG2-CE1 4.24Å; W265-F269 AromaticContact CE3-CD1 3.67Å; W265-F269 HydrophobicContact CE3-CD1 3.67Å; W265-F269 AromaticContact CE3-CE1 3.59Å; W265-F269 HydrophobicContact CE3-CE1 3.59Å; W265-F269 HydrophobicContact CZ3-CD1 4.02Å; W265-F269 AromaticContact CZ3-CE1 3.46Å; W265-F269 HydrophobicContact CZ3-CE1 3.46Å; W265-F269 VanDerWaalsContact CZ3-CE1 3.46Å; W265-F269 HydrophobicContact CZ3-CZ 4.11Å; N266-F269 HydrophobicContact CB-CB 4.17Å; N266-F269 WeakPolarHBondContact O-CA 3.45Å; N266-F269 VanDerWaalsContact O-CB 3.27Å; N266-F269 WeakPolarHBondContact O-CB 3.32Å; N266-F269 PolarHBondContact O-N 3.11Å; E267-F269 VanDerWaalsContact C-N 3.28Å; E267-F269 PolarHBondContact O-N 3.24Å; F269-H271 VanDerWaalsContact C-N 3.33Å; F269-H271 PolarHBondContact O-N 2.89Å; F269-L272 PolarHBondContact O-N 3.12Å; F269-L273 HydrophobicContact CD1-CD1 3.83Å; F269-L273 HydrophobicContact CD1-CG 4.27Å; F269-L273 HydrophobicContact CE1-CD1 3.41Å; F269-L273 VanDerWaalsContact CE1-CD1 3.41Å; F269-L273 HydrophobicContact CE1-CG 3.98Å; F269-L273 HydrophobicContact CZ-CD1 4.03Å; F269-L273 HydrophobicContact CZ-CD2 4.36Å; F269-L273 HydrophobicContact CZ-CG 4.23Å; F269-L273 WeakPolarHBondContact O-CG 3.42Å; F269-L273 PolarHBondContact O-N 3.32Å
270I76.1Confident73.9Confident52 Ų5269.8 Ų69.827%0.26735%0.347SS..Hα-helixtrans-63.3-42.1174.3-60.2174000110.6V254 W265 N266 E267 L273 K274V254-I270 HydrophobicContact CG1-CG1 4.15Å; W265-I270 HydrophobicContact CB-CD1 4.33Å; W265-I270 HydrophobicContact CB-CG1 4.49Å; N266-I270 PolarHBondContact O-N 3.37Å; E267-I270 PolarHBondContact O-N 2.88Å; I270-L273 PolarHBondContact O-N 3.33Å; I270-K274 WeakPolarHBondContact O-CG 3.24Å; I270-K274 PolarHBondContact O-N 3.16Å
271H80.7Confident75Confident119 Ų11967.5 Ų67.555%0.55133%0.327SS*.Hα-helixtrans-62.8-44.8175.5-173.8-93.2000111.6E267 K268 F269 L273 K274 R275E267-H271 PolarHBondContact O-N 3.15Å; K268-H271 PolarHBondContact O-N 3.47Å; F269-H271 VanDerWaalsContact C-N 3.33Å; F269-H271 PolarHBondContact O-N 2.89Å; H271-L273 VanDerWaalsContact C-N 3.35Å; H271-L273 PolarHBondContact O-N 2.89Å; H271-K274 PolarHBondContact O-N 2.94Å; H271-R275 WeakPolarHBondContact O-CB 3.26Å; H271-R275 PolarHBondContact O-N 3.11Å
272L79.1Confident76.1Confident4 Ų465.6 Ų65.62%0.02131%0.312CS..Hα-helixtrans-60.1-43175.1177.867.6000111.8L221 L224 E225 F228 K268 F269 R275 L276L221-L272 HydrophobicContact CD1-CD2 3.37Å; L221-L272 HydrophobicContact CD2-CB 4.34Å; L221-L272 HydrophobicContact CD2-CD2 4.45Å; L221-L272 HydrophobicContact CG-CD2 3.93Å; L224-L272 HydrophobicContact CB-CD2 4.47Å; E225-L272 HydrophobicContact CB-CD1 4.38Å; E225-L272 HydrophobicContact CG-CB 4.5Å; E225-L272 HydrophobicContact CG-CD1 3.51Å; E225-L272 HydrophobicContact CG-CG 4.43Å; F228-L272 HydrophobicContact CD2-CD1 3.92Å; F228-L272 HydrophobicContact CD2-CD2 3.98Å; F228-L272 HydrophobicContact CD2-CG 4.3Å; F228-L272 HydrophobicContact CE2-CD2 3.84Å; K268-L272 WeakPolarHBondContact O-CB 3.43Å; K268-L272 PolarHBondContact O-N 3.46Å; F269-L272 PolarHBondContact O-N 3.12Å; L272-R275 PolarHBondContact O-N 3.13Å; L272-L276 HydrophobicContact CD1-CD1 4.3Å; L272-L276 HydrophobicContact CD1-CG 4.36Å; L272-L276 HydrophobicContact CD2-CD1 4.46Å; L272-L276 HydrophobicContact CG-CD1 3.93Å; L272-L276 HydrophobicContact CG-CG 4.46Å; L272-L276 WeakPolarHBondContact O-CB 3.13Å; L272-L276 WeakPolarHBondContact O-CG 3.36Å; L272-L276 PolarHBondContact O-N 3.09Å
273L80.5Confident77Confident10 Ų1059.6 Ų59.65%0.05228%0.282CS..Hα-helixtrans-62.3-42.7176.4-76.6178.5000112.3F210 L247 V254 F269 I270 H271 R275 Y277F210-L273 HydrophobicContact CE1-CD2 4.02Å; F210-L273 HydrophobicContact CZ-CD2 4.04Å; L247-L273 HydrophobicContact CD2-CD2 3.94Å; V254-L273 HydrophobicContact CG2-CD1 3.99Å; F269-L273 HydrophobicContact CD1-CD1 3.83Å; F269-L273 HydrophobicContact CD1-CG 4.27Å; F269-L273 HydrophobicContact CE1-CD1 3.41Å; F269-L273 VanDerWaalsContact CE1-CD1 3.41Å; F269-L273 HydrophobicContact CE1-CG 3.98Å; F269-L273 HydrophobicContact CZ-CD1 4.03Å; F269-L273 HydrophobicContact CZ-CD2 4.36Å; F269-L273 HydrophobicContact CZ-CG 4.23Å; F269-L273 WeakPolarHBondContact O-CG 3.42Å; F269-L273 PolarHBondContact O-N 3.32Å; I270-L273 PolarHBondContact O-N 3.33Å; H271-L273 VanDerWaalsContact C-N 3.35Å; H271-L273 PolarHBondContact O-N 2.89Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-Y277 WeakPolarHBondContact O-CB 3.41Å; L273-Y277 PolarHBondContact O-N 3.48Å
274K81.5Confident77.9Confident108 Ų10858.6 Ų58.647%0.4727%0.274SS..Hα-helixtrans-61.4-45.2174-73.3176.7-178.7176.30110.7I270 H271 Y277 E278I270-K274 WeakPolarHBondContact O-CG 3.24Å; I270-K274 PolarHBondContact O-N 3.16Å; H271-K274 PolarHBondContact O-N 2.94Å; K274-Y277 WeakPolarHBondContact O-CB 3.4Å; K274-Y277 PolarHBondContact O-N 2.94Å; K274-E278 WeakPolarHBondContact O-CG 3.48Å; K274-E278 PolarHBondContact O-N 2.92Å
275R82.6Confident78.7Confident125 Ų12551.6 Ų51.647%0.47224%0.242SC..Hα-helixtrans-63.6-44.8179.5-174.757.8175167.41.3112.3H271 L272 L273 Y277 E278 L279H271-R275 WeakPolarHBondContact O-CB 3.26Å; H271-R275 PolarHBondContact O-N 3.11Å; L272-R275 PolarHBondContact O-N 3.13Å; L273-R275 VanDerWaalsContact C-N 3.34Å; R275-Y277 VanDerWaalsContact C-N 3.33Å; R275-Y277 PolarHBondContact O-N 2.73Å; R275-E278 IonicContact NH1-OE2 3.67Å; R275-E278 PolarHBondContact O-N 3.26Å; R275-L279 HydrophobicContact CG-CD1 4.08Å; R275-L279 WeakPolarHBondContact O-CB 3.37Å; R275-L279 VanDerWaalsContact O-CG 3.24Å; R275-L279 WeakPolarHBondContact O-CG 3.42Å; R275-L279 PolarHBondContact O-N 3.26Å
276L82.4Confident79.2Confident2 Ų257.4 Ų57.41%0.0127%0.27CS..Hα-helixtrans-58.1-45.9173.3-86.5162.8000111.3F201 F228 V232 L247 L272 L279 C280F201-L276 HydrophobicContact CE1-CD2 3.98Å; F201-L276 HydrophobicContact CZ-CD2 3.86Å; F228-L276 HydrophobicContact CB-CD2 3.91Å; F228-L276 HydrophobicContact CD2-CD1 3.73Å; F228-L276 HydrophobicContact CD2-CD2 3.85Å; F228-L276 HydrophobicContact CD2-CG 4.07Å; F228-L276 HydrophobicContact CE2-CD1 3.96Å; F228-L276 HydrophobicContact CG-CD2 4.16Å; V232-L276 HydrophobicContact CG2-CD2 3.85Å; L247-L276 HydrophobicContact CD1-CB 4.04Å; L247-L276 HydrophobicContact CD2-CB 4.21Å; L247-L276 HydrophobicContact CD2-CD1 4.39Å; L272-L276 HydrophobicContact CD1-CD1 4.3Å; L272-L276 HydrophobicContact CD1-CG 4.36Å; L272-L276 HydrophobicContact CD2-CD1 4.46Å; L272-L276 HydrophobicContact CG-CD1 3.93Å; L272-L276 HydrophobicContact CG-CG 4.46Å; L272-L276 WeakPolarHBondContact O-CB 3.13Å; L272-L276 WeakPolarHBondContact O-CG 3.36Å; L272-L276 PolarHBondContact O-N 3.09Å; L276-L279 PolarHBondContact O-N 2.99Å; L276-C280 WeakPolarHBondContact O-CB 3.45Å; L276-C280 PolarHBondContact O-N 3.19Å; L276-C280 PolarHBondContact O-SG 3.05Å; L276-C280 VanDerWaalsContact O-SG 3.36Å
277Y82.6Confident79.1Confident34 Ų3458.6 Ų58.613%0.13327%0.274CS..Hα-helixtrans-60.1-48.2177.7-175.4-88.4000111.2L244 L247 H248 L273 K274 R275 L279 C280 D281 M304L244-Y277 HydrophobicContact CD1-CD2 3.79Å; L244-Y277 HydrophobicContact CD1-CE2 3.72Å; L244-Y277 HydrophobicContact CD1-CG 4.37Å; L244-Y277 HydrophobicContact CG-CE2 4.2Å; L247-Y277 HydrophobicContact CB-CD2 4.28Å; H248-Y277 HydrophobicContact CB-CE2 4.47Å; L273-Y277 WeakPolarHBondContact O-CB 3.41Å; L273-Y277 PolarHBondContact O-N 3.48Å; K274-Y277 WeakPolarHBondContact O-CB 3.4Å; K274-Y277 PolarHBondContact O-N 2.94Å; R275-Y277 VanDerWaalsContact C-N 3.33Å; R275-Y277 PolarHBondContact O-N 2.73Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 3.49Å; Y277-C280 PolarHBondContact O-N 2.91Å; Y277-D281 WeakPolarHBondContact O-CB 3.31Å; Y277-D281 PolarHBondContact O-N 3.29Å; Y277-M304 HydrophobicContact CE2-CE 4.37Å
278E83.1Confident78.9Confident104 Ų10450.8 Ų50.849%0.48624%0.238SC..Hα-helixtrans-60.7-40.3176.7-72.4170.3-172.300112.9K274 R275 A282K274-E278 WeakPolarHBondContact O-CG 3.48Å; K274-E278 PolarHBondContact O-N 2.92Å; R275-E278 IonicContact NH1-OE2 3.67Å; R275-E278 PolarHBondContact O-N 3.26Å; E278-A282 WeakPolarHBondContact O-CB 3.29Å; E278-A282 PolarHBondContact O-N 2.92Å
279L83Confident78.4Confident25 Ų2549.1 Ų49.113%0.13124%0.236CC..Hα-helixtrans-69.3-43.9179.2-71.6171.1000111.9P229 V232 R275 L276 Y277 R283P229-L279 HydrophobicContact CB-CD1 4.01Å; P229-L279 HydrophobicContact CG-CD1 3.89Å; V232-L279 HydrophobicContact CG1-CB 3.9Å; R275-L279 HydrophobicContact CG-CD1 4.08Å; R275-L279 WeakPolarHBondContact O-CB 3.37Å; R275-L279 VanDerWaalsContact O-CG 3.24Å; R275-L279 WeakPolarHBondContact O-CG 3.42Å; R275-L279 PolarHBondContact O-N 3.26Å; L276-L279 PolarHBondContact O-N 2.99Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 3.49Å; L279-R283 WeakPolarHBondContact O-CB 3.49Å; L279-R283 PolarHBondContact O-N 3.44Å
280C81Confident78.1Confident1 Ų153.1 Ų53.11%0.00726%0.257CS..Hα-helixtrans-64.3-42.7175.2-70.80000111.3V232 V243 L244 L247 L276 Y277 R283 L284V232-C280 HydrophobicContact CG1-CB 4.49Å; V243-C280 VanDerWaalsContact CG1-SG 3.57Å; L244-C280 HydrophobicContact CD1-CB 3.85Å; L247-C280 HydrophobicContact CD1-CB 4.41Å; L276-C280 WeakPolarHBondContact O-CB 3.45Å; L276-C280 PolarHBondContact O-N 3.19Å; L276-C280 PolarHBondContact O-SG 3.05Å; L276-C280 VanDerWaalsContact O-SG 3.36Å; Y277-C280 PolarHBondContact O-N 2.91Å; C280-R283 PolarHBondContact O-N 3.36Å; C280-L284 VanDerWaalsContact O-CG 3.31Å; C280-L284 WeakPolarHBondContact O-CG 3.47Å; C280-L284 PolarHBondContact O-N 2.85Å
281D80.5Confident77.5Confident7 Ų750.7 Ų50.74%0.03724%0.244CC..Hα-helixtrans-62.2-49.8176.7-171.247.9000111.1L244 Y277 R283 L284 I285 R307L244-D281 HydrophobicContact CD1-CB 4.36Å; Y277-D281 WeakPolarHBondContact O-CB 3.31Å; Y277-D281 PolarHBondContact O-N 3.29Å; D281-R283 VanDerWaalsContact C-N 3.28Å; D281-R283 PolarHBondContact O-N 2.62Å; D281-L284 PolarHBondContact O-N 3.42Å; D281-L284 VanDerWaalsContact O-N 3.17Å; D281-I285 WeakPolarHBondContact O-CG1 3.17Å; D281-I285 PolarHBondContact O-N 3.3Å; D281-R307 IonicContact OD1-NH1 3.58Å; D281-R307 IonicContact OD2-CZ 3.05Å; D281-R307 IonicContact OD2-NE 4Å; D281-R307 IonicContact OD2-NH1 3.81Å; D281-R307 PolarHBondContact OD2-NH1 3.39Å; D281-R307 IonicContact OD2-NH2 3.05Å; D281-R307 PolarHBondContact OD2-NH2 3.39Å
282A80.4Confident76.7Confident55 Ų5547.5 Ų47.546%0.45523%0.23SC..Hα-helixtrans-58.3-39.5176.400000112.5E278 I285 H286E278-A282 WeakPolarHBondContact O-CB 3.29Å; E278-A282 PolarHBondContact O-N 2.92Å; A282-I285 PolarHBondContact O-N 2.93Å; A282-H286 WeakPolarHBondContact O-CB 3.26Å; A282-H286 PolarHBondContact O-N 3.43Å
283R75.3Confident76Confident39 Ų3953.4 Ų53.415%0.14726%0.262CS..Hα-helixtrans-67.7-41.5177.2-172.9168.5-171.6-140.9-7.9112.7V232 H233 L235 L279 C280 D281 I285 H286 H287V232-R283 WeakPolarHBondContact O-CD 3.44Å; V232-R283 PolarHBondContact O-NE 3.16Å; V232-R283 PolarHBondContact O-NH1 3.17Å; H233-R283 PolarHBondContact O-NE 2.83Å; H233-R283 PolarHBondContact O-NH1 3.38Å; H233-R283 PolarHBondContact O-NH2 2.83Å; L235-R283 VanDerWaalsContact C-NH1 3.31Å; L235-R283 PolarHBondContact O-NH1 2.87Å; L235-R283 PolarHBondContact O-NH2 3.04Å; L279-R283 WeakPolarHBondContact O-CB 3.49Å; L279-R283 PolarHBondContact O-N 3.44Å; C280-R283 PolarHBondContact O-N 3.36Å; D281-R283 VanDerWaalsContact C-N 3.28Å; D281-R283 PolarHBondContact O-N 2.62Å; R283-I285 VanDerWaalsContact C-N 3.32Å; R283-H286 PolarHBondContact O-N 3.23Å; R283-H287 PolarHBondContact O-CD2 2.89Å; R283-H287 PolarHBondContact O-N 3.44Å; R283-H287 VanDerWaalsContact O-N 3.12Å
284L77.4Confident75.4Confident0 Ų053.7 Ų53.70%027%0.265CS..Hα-helixtrans-66.8-35.9176.2-70.9167.8000111.5A240 L244 C280 D281 H287 A288 V291 I308A240-L284 HydrophobicContact CB-CD2 3.89Å; A240-L284 HydrophobicContact CB-CG 4.37Å; L244-L284 HydrophobicContact CB-CD1 3.98Å; L244-L284 HydrophobicContact CD2-CD1 3.58Å; L244-L284 HydrophobicContact CG-CD1 4.23Å; C280-L284 VanDerWaalsContact O-CG 3.31Å; C280-L284 WeakPolarHBondContact O-CG 3.47Å; C280-L284 PolarHBondContact O-N 2.85Å; D281-L284 PolarHBondContact O-N 3.42Å; D281-L284 VanDerWaalsContact O-N 3.17Å; L284-H287 CarbonylContact O-C 3.58Å; L284-H287 PolarHBondContact O-N 3.46Å; L284-A288 VanDerWaalsContact O-CA 3.26Å; L284-A288 WeakPolarHBondContact O-CA 3.49Å; L284-A288 PolarHBondContact O-N 3.02Å; L284-V291 HydrophobicContact CD2-CB 4.47Å; L284-V291 HydrophobicContact CD2-CG1 3.84Å; L284-V291 HydrophobicContact CD2-CG2 3.68Å; L284-I308 HydrophobicContact CB-CD1 4.04Å; L284-I308 HydrophobicContact CD1-CD1 4.34Å
285I78.1Confident74.5Confident40 Ų4058.3 Ų58.321%0.20528%0.279CS..Hα-helixtrans-66.1-44.4173.7-66.7165.5000110.8D281 A282 R283 H287 A288 I308 T311D281-I285 WeakPolarHBondContact O-CG1 3.17Å; D281-I285 PolarHBondContact O-N 3.3Å; A282-I285 PolarHBondContact O-N 2.93Å; R283-I285 VanDerWaalsContact C-N 3.32Å; I285-H287 VanDerWaalsContact C-N 3.27Å; I285-H287 PolarHBondContact O-N 2.92Å; I285-A288 VanDerWaalsContact O-CB 3.26Å; I285-A288 WeakPolarHBondContact O-CB 3.46Å; I285-A288 PolarHBondContact O-N 2.72Å; I285-I308 HydrophobicContact CG1-CG1 4.37Å; I285-T311 WeakPolarHBondContact CD1-OG1 3.49Å; I285-T311 WeakPolarHBondContact CG1-OG1 3.38Å
286H76Confident73.9Confident142 Ų14254 Ų5466%0.65727%0.265SS*.Hα-helixtrans-62.2-34.8179-174.2-93.5000112.6A282 R283A282-H286 WeakPolarHBondContact O-CB 3.26Å; A282-H286 PolarHBondContact O-N 3.43Å; R283-H286 PolarHBondContact O-N 3.23Å
287H71.9Confident73.2Confident60 Ų6054.7 Ų54.728%0.27827%0.268SS..THydrogen-bonded Turntrans-105.424.7177.6-65.8-74.4000113.1L237 R283 L284 I285 N289 L290 V291L237-H287 HydrophobicContact CD1-CB 4.28Å; L237-H287 HydrophobicContact CD2-CB 3.68Å; R283-H287 PolarHBondContact O-CD2 2.89Å; R283-H287 PolarHBondContact O-N 3.44Å; R283-H287 VanDerWaalsContact O-N 3.12Å; L284-H287 CarbonylContact O-C 3.58Å; L284-H287 PolarHBondContact O-N 3.46Å; I285-H287 VanDerWaalsContact C-N 3.27Å; I285-H287 PolarHBondContact O-N 2.92Å; H287-N289 PolarHBondContact O-N 3.49Å; H287-N289 PolarHBondContact O-OD1 2.94Å; H287-L290 PolarHBondContact O-N 3.31Å; H287-V291 HydrophobicContact CB-CG2 4.27Å; H287-V291 VanDerWaalsContact O-CG2 3.25Å; H287-V291 WeakPolarHBondContact O-CG2 3.28Å; H287-V291 PolarHBondContact O-N 2.83Å; H287-V291 VanDerWaalsContact O-N 3.08Å
288A71Confident72.4Confident3 Ų357.6 Ų57.63%0.02529%0.291CS..Hα-helixtrans-53.6-35.3-174.300000112.8L284 I285 L290 V291 I292 I308 F314L284-A288 VanDerWaalsContact O-CA 3.26Å; L284-A288 WeakPolarHBondContact O-CA 3.49Å; L284-A288 PolarHBondContact O-N 3.02Å; I285-A288 VanDerWaalsContact O-CB 3.26Å; I285-A288 WeakPolarHBondContact O-CB 3.46Å; I285-A288 PolarHBondContact O-N 2.72Å; A288-L290 PolarHBondContact O-N 2.96Å; A288-V291 PolarHBondContact O-N 3.19Å; A288-I292 VanDerWaalsContact O-CD1 3.25Å; A288-I292 WeakPolarHBondContact O-CD1 3.48Å; A288-I292 VanDerWaalsContact O-CG1 3.31Å; A288-I292 WeakPolarHBondContact O-CG1 3.46Å; A288-I308 HydrophobicContact CB-CG2 3.93Å; A288-F314 HydrophobicContact CB-CE2 4.13Å
289N65.8Low71.7Confident100 Ų10057.1 Ų57.154%0.53529%0.291SS..Hα-helixtrans-61.9-24.8177.364.7-43.1000114.6H287H287-N289 PolarHBondContact O-N 3.49Å; H287-N289 PolarHBondContact O-OD1 2.94Å
290L70.4Confident70.9Confident86 Ų8656.1 Ų56.145%0.4529%0.286SS..Hα-helixtrans-100.5-32.4178.6-63.8174.8000112L237 H287 A288 I292 N293L237-L290 HydrophobicContact CD1-CB 3.53Å; L237-L290 HydrophobicContact CD1-CD1 4.08Å; L237-L290 HydrophobicContact CD1-CG 4.47Å; H287-L290 PolarHBondContact O-N 3.31Å; A288-L290 PolarHBondContact O-N 2.96Å; L290-I292 VanDerWaalsContact C-N 3.29Å; L290-I292 PolarHBondContact O-N 2.81Å; L290-N293 PolarHBondContact O-N 3.24Å; L290-N293 VanDerWaalsContact O-N 3.13Å
291V64.3Low70.4Confident0 Ų058.7 Ų58.70%030%0.302CS..Hα-helixtrans-64.5-31-174.9172.50000112.4L237 L284 H287 A288 N293 C294 W297L237-V291 HydrophobicContact CB-CG2 4.4Å; L237-V291 HydrophobicContact CD1-CG2 4.31Å; L237-V291 HydrophobicContact CD2-CG2 3.91Å; L237-V291 HydrophobicContact CG-CG2 4.44Å; L284-V291 HydrophobicContact CD2-CB 4.47Å; L284-V291 HydrophobicContact CD2-CG1 3.84Å; L284-V291 HydrophobicContact CD2-CG2 3.68Å; H287-V291 HydrophobicContact CB-CG2 4.27Å; H287-V291 VanDerWaalsContact O-CG2 3.25Å; H287-V291 WeakPolarHBondContact O-CG2 3.28Å; H287-V291 PolarHBondContact O-N 2.83Å; H287-V291 VanDerWaalsContact O-N 3.08Å; A288-V291 PolarHBondContact O-N 3.19Å; V291-N293 PolarHBondContact O-N 3.47Å; V291-C294 VanDerWaalsContact O-CB 3.31Å; V291-C294 WeakPolarHBondContact O-CB 3.34Å; V291-C294 PolarHBondContact O-N 3.38Å; V291-C294 VanDerWaalsContact O-N 3.08Å; V291-W297 HydrophobicContact CB-CZ3 4.49Å; V291-W297 HydrophobicContact CG1-CE3 3.47Å; V291-W297 VanDerWaalsContact CG1-CE3 3.47Å; V291-W297 HydrophobicContact CG1-CZ3 3.47Å; V291-W297 VanDerWaalsContact CG1-CZ3 3.47Å
292I64.1Low69.6Low52 Ų5264.3 Ų64.327%0.26733%0.331SS..THydrogen-bonded Turntrans-61.5-29.3176.8-56.2148.6000111.9A288 L290 F314A288-I292 VanDerWaalsContact O-CD1 3.25Å; A288-I292 WeakPolarHBondContact O-CD1 3.48Å; A288-I292 VanDerWaalsContact O-CG1 3.31Å; A288-I292 WeakPolarHBondContact O-CG1 3.46Å; L290-I292 VanDerWaalsContact C-N 3.29Å; L290-I292 PolarHBondContact O-N 2.81Å; I292-F314 HydrophobicContact CD1-CD1 4.27Å; I292-F314 HydrophobicContact CD1-CE1 3.28Å; I292-F314 HydrophobicContact CD1-CE2 4.06Å; I292-F314 HydrophobicContact CD1-CZ 3.16Å; I292-F314 HydrophobicContact CG1-CE1 4.13Å; I292-F314 HydrophobicContact CG1-CZ 3.66Å
293N65.3Low69Low129 Ų12969 Ų6969%0.6934%0.344SS*.THydrogen-bonded Turntrans-89.5-2.4-179.3-66.1-26.3000112.8L290 V291L290-N293 PolarHBondContact O-N 3.24Å; L290-N293 VanDerWaalsContact O-N 3.13Å; V291-N293 PolarHBondContact O-N 3.47Å
294C65.9Low68.6Low15 Ų1567.5 Ų67.510%0.10134%0.338CS..SBendtrans-74.3140.3179.6-69.30000111.1E238 V291 N296 W297E238-C294 HydrophobicContact CG-CB 4.23Å; V291-C294 VanDerWaalsContact O-CB 3.31Å; V291-C294 WeakPolarHBondContact O-CB 3.34Å; V291-C294 PolarHBondContact O-N 3.38Å; V291-C294 VanDerWaalsContact O-N 3.08Å; C294-N296 PolarHBondContact O-N 3.02Å; C294-N296 VanDerWaalsContact O-N 3.11Å; C294-W297 VanDerWaalsContact O-CB 3.29Å; C294-W297 WeakPolarHBondContact O-CB 3.29Å; C294-W297 PolarHBondContact O-N 3.34Å
295R63.6Low68.2Low205 Ų20568.9 Ų68.977%0.77435%0.345SS*.THydrogen-bonded Turntrans-59.4-26.3179.9-65.3176178.4170.51.2113.6P298R295-P298 WeakPolarHBondContact O-CD 3.44Å
296N69.1Low67.6Low34 Ų3470 Ų7018%0.18235%0.351CS..THydrogen-bonded Turntrans-93.2-1-177.8-62.9-18.3000113.5E238 C241 L242 C294 P298 L299E238-N296 PolarHBondContact O-ND2 3.13Å; C241-N296 HydrophobicContact CB-CB 3.89Å; L242-N296 WeakPolarHBondContact CD1-ND2 3.46Å; L242-N296 HydrophobicContact CD2-CB 4.45Å; L242-N296 HydrophobicContact CG-CB 4.42Å; L242-N296 WeakPolarHBondContact CG-ND2 3.37Å; C294-N296 PolarHBondContact O-N 3.02Å; C294-N296 VanDerWaalsContact O-N 3.11Å; N296-P298 VanDerWaalsContact C-CD 3.43Å; N296-L299 HydrophobicContact CB-CD1 4.1Å; N296-L299 WeakPolarHBondContact O-CB 3.33Å; N296-L299 PolarHBondContact O-N 3.19Å; N296-L299 VanDerWaalsContact O-N 3.07Å
297W67.9Low67.2Low17 Ų1768.7 Ų68.76%0.06434%0.34CS..G310 helixtrans-49.7-46.3172.6-179.5-101000114.3V291 C294 L299 L300 Q305 I308 R309V291-W297 HydrophobicContact CB-CZ3 4.49Å; V291-W297 HydrophobicContact CG1-CE3 3.47Å; V291-W297 VanDerWaalsContact CG1-CE3 3.47Å; V291-W297 HydrophobicContact CG1-CZ3 3.47Å; V291-W297 VanDerWaalsContact CG1-CZ3 3.47Å; C294-W297 VanDerWaalsContact O-CB 3.29Å; C294-W297 WeakPolarHBondContact O-CB 3.29Å; C294-W297 PolarHBondContact O-N 3.34Å; W297-L299 PolarHBondContact O-N 3.32Å; W297-L299 VanDerWaalsContact O-N 3.1Å; W297-L300 HydrophobicContact CD2-CD1 4.29Å; W297-L300 HydrophobicContact CE3-CD1 3.49Å; W297-L300 VanDerWaalsContact CE3-CD1 3.49Å; W297-L300 HydrophobicContact CZ3-CD1 3.69Å; W297-L300 WeakPolarHBondContact O-CB 3.43Å; W297-L300 PolarHBondContact O-N 3.34Å; W297-L300 VanDerWaalsContact O-N 3.13Å; W297-Q305 HydrophobicContact CD2-CG 4.39Å; W297-Q305 HydrophobicContact CH2-CB 4.18Å; W297-Q305 HydrophobicContact CH2-CG 4.24Å; W297-Q305 HydrophobicContact CZ2-CB 3.61Å; W297-Q305 HydrophobicContact CZ2-CG 3.66Å; W297-Q305 VanDerWaalsContact NE1-OE1 3.1Å; W297-Q305 PolarHBondContact O-NE2 2.82Å; W297-I308 HydrophobicContact CH2-CB 3.94Å; W297-I308 HydrophobicContact CH2-CD1 4.3Å; W297-I308 HydrophobicContact CH2-CG2 3.85Å; W297-I308 HydrophobicContact CZ3-CB 4.33Å; W297-I308 HydrophobicContact CZ3-CD1 3.98Å; W297-I308 HydrophobicContact CZ3-CG2 4.01Å; W297-R309 HydrophobicContact CZ2-CG 4.41Å
298P66.8Low67Low95 Ų9565.8 Ų65.862%0.61733%0.327SS*.G310 helixtrans-67.4-10.6-179.227.4-36.3000114.1R295 N296 L300R295-P298 WeakPolarHBondContact O-CD 3.44Å; N296-P298 VanDerWaalsContact C-CD 3.43Å; P298-L300 VanDerWaalsContact C-N 3.34Å
299L67.5Low66.7Low94 Ų9470.8 Ų70.849%0.49235%0.345SS..G310 helixtrans-80.1-17.6176.1-60.9172.7000112.5L242 V245 N296 W297L242-L299 HydrophobicContact CD2-CD1 3.51Å; V245-L299 HydrophobicContact CG2-CB 4.41Å; V245-L299 VanDerWaalsContact CG2-O 3.22Å; V245-L299 WeakPolarHBondContact CG2-O 3.45Å; N296-L299 HydrophobicContact CB-CD1 4.1Å; N296-L299 WeakPolarHBondContact O-CB 3.33Å; N296-L299 PolarHBondContact O-N 3.19Å; N296-L299 VanDerWaalsContact O-N 3.07Å; W297-L299 PolarHBondContact O-N 3.32Å; W297-L299 VanDerWaalsContact O-N 3.1Å
300L66Low66.6Low5 Ų573.7 Ų73.73%0.02636%0.356CS..SBendtrans-71.6140.3175.1-66.7166.7000110.1C241 L244 V245 W297 P298 M304 Q305 I308C241-L300 HydrophobicContact CB-CD1 4.4Å; C241-L300 HydrophobicContact CB-CG 4.45Å; L244-L300 HydrophobicContact CB-CD2 4.18Å; L244-L300 HydrophobicContact CD2-CD2 3.92Å; L244-L300 HydrophobicContact CG-CD2 4.49Å; V245-L300 HydrophobicContact CG2-CD2 3.91Å; V245-L300 HydrophobicContact CG2-CG 4.49Å; W297-L300 HydrophobicContact CD2-CD1 4.29Å; W297-L300 HydrophobicContact CE3-CD1 3.49Å; W297-L300 VanDerWaalsContact CE3-CD1 3.49Å; W297-L300 HydrophobicContact CZ3-CD1 3.69Å; W297-L300 WeakPolarHBondContact O-CB 3.43Å; W297-L300 PolarHBondContact O-N 3.34Å; W297-L300 VanDerWaalsContact O-N 3.13Å; P298-L300 VanDerWaalsContact C-N 3.34Å; L300-M304 HydrophobicContact CB-CB 4.46Å; L300-M304 HydrophobicContact CD2-CE 3.95Å; L300-Q305 HydrophobicContact CB-CG 3.79Å; L300-Q305 PolarHBondContact O-NE2 3.32Å; L300-I308 HydrophobicContact CD1-CD1 4.25Å
301T71.1Confident66.2Low54 Ų5473 Ų7333%0.33136%0.355SS..  trans-61.9153.1175.367.60000110.4E303 M304 Q305T301-E303 PolarHBondContact O-N 3.4Å; T301-M304 HydrophobicContact CG2-SD 4.07Å; T301-M304 WeakPolarHBondContact O-CB 3.33Å; T301-M304 PolarHBondContact O-N 2.96Å; T301-M304 VanDerWaalsContact OG1-CG 3.23Å; T301-M304 WeakPolarHBondContact OG1-CG 3.13Å; T301-M304 PolarHBondContact OG1-SD 2.84Å; T301-Q305 WeakPolarHBondContact O-CG 3.26Å; T301-Q305 PolarHBondContact O-N 3.28Å
302L63.6Low65.7Low126 Ų12673.3 Ų73.366%0.6636%0.359SS*.Hα-helixtrans-58.7-32.6-176.3-130.7142.8000112N306L302-N306 WeakPolarHBondContact O-CB 3.4Å; L302-N306 PolarHBondContact O-N 3.49Å; L302-N306 PolarHBondContact O-ND2 2.9Å
303E67.3Low65.1Low154 Ų15478.5 Ų78.572%0.7239%0.385SS*.Hα-helixtrans-64.8-44.3173.5-63.9-178.8176.900112.3T301 N306 R307T301-E303 PolarHBondContact O-N 3.4Å; E303-N306 PolarHBondContact O-N 2.95Å; E303-R307 WeakPolarHBondContact O-CB 3.32Å; E303-R307 PolarHBondContact O-N 3.44Å
304M68.7Low64.3Low6 Ų675.7 Ų75.73%0.0337%0.367CS..Hα-helixtrans-68.2-39.5179.1-65.715976.300110.7L244 H248 Y277 L300 T301 R307 I308L244-M304 HydrophobicContact CB-CE 4.06Å; L244-M304 HydrophobicContact CD1-CE 4.39Å; L244-M304 HydrophobicContact CD2-CE 3.2Å; L244-M304 HydrophobicContact CG-CE 3.25Å; H248-M304 HydrophobicContact CB-CE 4.29Å; H248-M304 HydrophobicContact CB-SD 4.36Å; Y277-M304 HydrophobicContact CE2-CE 4.37Å; L300-M304 HydrophobicContact CB-CB 4.46Å; L300-M304 HydrophobicContact CD2-CE 3.95Å; T301-M304 HydrophobicContact CG2-SD 4.07Å; T301-M304 WeakPolarHBondContact O-CB 3.33Å; T301-M304 PolarHBondContact O-N 2.96Å; T301-M304 VanDerWaalsContact OG1-CG 3.23Å; T301-M304 WeakPolarHBondContact OG1-CG 3.13Å; T301-M304 PolarHBondContact OG1-SD 2.84Å; M304-R307 PolarHBondContact O-N 2.97Å; M304-I308 VanDerWaalsContact O-CG1 3.3Å; M304-I308 WeakPolarHBondContact O-CG1 3.47Å; M304-I308 PolarHBondContact O-N 3.48Å
305Q68.1Low63.2Low29 Ų2978.9 Ų78.914%0.13639%0.386CS..Hα-helixtrans-62.8-45.3173.9-67.5-174.431.100111.9W297 L300 T301 R309W297-Q305 HydrophobicContact CD2-CG 4.39Å; W297-Q305 HydrophobicContact CH2-CB 4.18Å; W297-Q305 HydrophobicContact CH2-CG 4.24Å; W297-Q305 HydrophobicContact CZ2-CB 3.61Å; W297-Q305 HydrophobicContact CZ2-CG 3.66Å; W297-Q305 VanDerWaalsContact NE1-OE1 3.1Å; W297-Q305 PolarHBondContact O-NE2 2.82Å; L300-Q305 HydrophobicContact CB-CG 3.79Å; L300-Q305 PolarHBondContact O-NE2 3.32Å; T301-Q305 WeakPolarHBondContact O-CG 3.26Å; T301-Q305 PolarHBondContact O-N 3.28Å; Q305-R309 VanDerWaalsContact O-CB 3.32Å; Q305-R309 WeakPolarHBondContact O-CB 3.38Å; Q305-R309 WeakPolarHBondContact O-CG 3.42Å; Q305-R309 PolarHBondContact O-N 2.82Å
306N65Low62.2Low65 Ų6571.9 Ų71.935%0.34836%0.364SS..Hα-helixtrans-64.8-41177.7-72.3-15.2000111.2L302 E303 R309 E310L302-N306 WeakPolarHBondContact O-CB 3.4Å; L302-N306 PolarHBondContact O-N 3.49Å; L302-N306 PolarHBondContact O-ND2 2.9Å; E303-N306 PolarHBondContact O-N 2.95Å; N306-R309 CarbonylContact O-C 3.59Å; N306-R309 WeakPolarHBondContact O-CA 3.35Å; N306-R309 WeakPolarHBondContact O-CB 3.49Å; N306-R309 PolarHBondContact O-N 3.03Å; N306-R309 VanDerWaalsContact O-N 3.14Å; N306-E310 WeakPolarHBondContact O-CB 3.37Å; N306-E310 VanDerWaalsContact O-CG 3.3Å; N306-E310 WeakPolarHBondContact O-CG 3.34Å; N306-E310 PolarHBondContact O-N 3.19Å
307R68.5Low61.1Low113 Ų11378.9 Ų78.943%0.42639%0.393SS..Hα-helixtrans-63.6-45.5178-170.2172.7179.1-130.7-11.4112.3D281 E303 M304 R309 E310 T311D281-R307 IonicContact OD1-NH1 3.58Å; D281-R307 IonicContact OD2-CZ 3.05Å; D281-R307 IonicContact OD2-NE 4Å; D281-R307 IonicContact OD2-NH1 3.81Å; D281-R307 PolarHBondContact OD2-NH1 3.39Å; D281-R307 IonicContact OD2-NH2 3.05Å; D281-R307 PolarHBondContact OD2-NH2 3.39Å; E303-R307 WeakPolarHBondContact O-CB 3.32Å; E303-R307 PolarHBondContact O-N 3.44Å; M304-R307 PolarHBondContact O-N 2.97Å; R307-R309 VanDerWaalsContact C-N 3.26Å; R307-R309 PolarHBondContact O-N 3.36Å; R307-E310 PolarHBondContact O-N 3.04Å; R307-T311 HydrophobicContact CG-CG2 4.49Å; R307-T311 WeakPolarHBondContact O-CB 3.23Å; R307-T311 WeakPolarHBondContact O-CG2 3.43Å; R307-T311 PolarHBondContact O-N 2.94Å; R307-T311 PolarHBondContact O-OG1 3.34Å
308I67.7Low59.8Low0 Ų083.1 Ų83.10%043%0.425CS..Hα-helixtrans-65.1-33.7175-65.4164.4000110.5L284 I285 A288 W297 L300 M304 G312L284-I308 HydrophobicContact CB-CD1 4.04Å; L284-I308 HydrophobicContact CD1-CD1 4.34Å; I285-I308 HydrophobicContact CG1-CG1 4.37Å; A288-I308 HydrophobicContact CB-CG2 3.93Å; W297-I308 HydrophobicContact CH2-CB 3.94Å; W297-I308 HydrophobicContact CH2-CD1 4.3Å; W297-I308 HydrophobicContact CH2-CG2 3.85Å; W297-I308 HydrophobicContact CZ3-CB 4.33Å; W297-I308 HydrophobicContact CZ3-CD1 3.98Å; W297-I308 HydrophobicContact CZ3-CG2 4.01Å; L300-I308 HydrophobicContact CD1-CD1 4.25Å; M304-I308 VanDerWaalsContact O-CG1 3.3Å; M304-I308 WeakPolarHBondContact O-CG1 3.47Å; M304-I308 PolarHBondContact O-N 3.48Å; I308-G312 WeakPolarHBondContact O-CA 3.34Å; I308-G312 PolarHBondContact O-N 3.33Å
309R64.4Low58.5Low108 Ų10885.5 Ų85.541%0.40843%0.428SS..Hα-helixtrans-66-42.6174.3-78.1172.8178.9-158.72.2114.1W297 Q305 N306 R307 F314W297-R309 HydrophobicContact CZ2-CG 4.41Å; Q305-R309 VanDerWaalsContact O-CB 3.32Å; Q305-R309 WeakPolarHBondContact O-CB 3.38Å; Q305-R309 WeakPolarHBondContact O-CG 3.42Å; Q305-R309 PolarHBondContact O-N 2.82Å; N306-R309 CarbonylContact O-C 3.59Å; N306-R309 WeakPolarHBondContact O-CA 3.35Å; N306-R309 WeakPolarHBondContact O-CB 3.49Å; N306-R309 PolarHBondContact O-N 3.03Å; N306-R309 VanDerWaalsContact O-N 3.14Å; R307-R309 VanDerWaalsContact C-N 3.26Å; R307-R309 PolarHBondContact O-N 3.36Å; R309-F314 HydrophobicContact CB-CE2 4.17Å; R309-F314 HydrophobicContact CB-CZ 4.12Å; R309-F314 HydrophobicContact CG-CE1 4.13Å; R309-F314 HydrophobicContact CG-CE2 4.01Å; R309-F314 HydrophobicContact CG-CZ 3.51Å; R309-F314 WeakPolarHBondContact O-CD2 3.35Å
310E63.7Low57.1Low160 Ų16085.8 Ų85.875%0.74844%0.436SS*.Hα-helixtrans-80.1-32.8-176.6-72173.1-175.400112.7N306 R307N306-E310 WeakPolarHBondContact O-CB 3.37Å; N306-E310 VanDerWaalsContact O-CG 3.3Å; N306-E310 WeakPolarHBondContact O-CG 3.34Å; N306-E310 PolarHBondContact O-N 3.19Å; R307-E310 PolarHBondContact O-N 3.04Å
311T61.3Low55.9Low72 Ų7291.7 Ų91.744%0.44247%0.467SS..Hα-helixtrans-97.2-24.7-176.558.90000113.9I285 R307I285-T311 WeakPolarHBondContact CD1-OG1 3.49Å; I285-T311 WeakPolarHBondContact CG1-OG1 3.38Å; R307-T311 HydrophobicContact CG-CG2 4.49Å; R307-T311 WeakPolarHBondContact O-CB 3.23Å; R307-T311 WeakPolarHBondContact O-CG2 3.43Å; R307-T311 PolarHBondContact O-N 2.94Å; R307-T311 PolarHBondContact O-OG1 3.34Å
312G55.3Low54.7Low7 Ų794.7 Ų94.77%0.07248%0.48CS..SBendtrans-65.7140.4170.400000110I308 F314I308-G312 WeakPolarHBondContact O-CA 3.34Å; I308-G312 PolarHBondContact O-N 3.33Å; G312-F314 PolarHBondContact O-N 3.42Å
313I49.8Very low54.2Low161 Ų16194.8 Ų94.883%0.82648%0.478SS*.  trans-67.983.4168.4-57.7173.1000107V315I313-V315 PolarHBondContact O-N 3.14Å
314F50.1Low53.8Low69 Ų6992.9 Ų92.930%0.30347%0.472SS..  trans-72.2107.6177-100.8-107.9000108.7A288 I292 R309 G312 D316A288-F314 HydrophobicContact CB-CE2 4.13Å; I292-F314 HydrophobicContact CD1-CD1 4.27Å; I292-F314 HydrophobicContact CD1-CE1 3.28Å; I292-F314 HydrophobicContact CD1-CE2 4.06Å; I292-F314 HydrophobicContact CD1-CZ 3.16Å; I292-F314 HydrophobicContact CG1-CE1 4.13Å; I292-F314 HydrophobicContact CG1-CZ 3.66Å; R309-F314 HydrophobicContact CB-CE2 4.17Å; R309-F314 HydrophobicContact CB-CZ 4.12Å; R309-F314 HydrophobicContact CG-CE1 4.13Å; R309-F314 HydrophobicContact CG-CE2 4.01Å; R309-F314 HydrophobicContact CG-CZ 3.51Å; R309-F314 WeakPolarHBondContact O-CD2 3.35Å; G312-F314 PolarHBondContact O-N 3.42Å; F314-D316 VanDerWaalsContact C-N 3.32Å; F314-D316 PolarHBondContact O-N 2.87Å
315V42.1Very low53Low82 Ų82100.2 Ų100.250%0.49750%0.5SS..  trans-8591.5145.9-171.40000105.2I313 F317I313-V315 PolarHBondContact O-N 3.14Å; V315-F317 HydrophobicContact CB-CD2 4.02Å; V315-F317 HydrophobicContact CB-CE2 3.68Å; V315-F317 HydrophobicContact CB-CZ 4.46Å; V315-F317 HydrophobicContact CG1-CD2 3.71Å; V315-F317 HydrophobicContact CG1-CE1 4.28Å; V315-F317 HydrophobicContact CG1-CE2 3.22Å; V315-F317 HydrophobicContact CG1-CG 4.42Å; V315-F317 HydrophobicContact CG1-CZ 3.55Å; V315-F317 VanDerWaalsContact O-CD2 3.26Å; V315-F317 WeakPolarHBondContact O-CD2 3.42Å; V315-F317 PolarHBondContact O-N 3.32Å
316D42.2Very low52.7Low59 Ų59103.8 Ų103.832%0.31652%0.516SS..  trans-59.3105174.3-163.5-12.9000109.1F314 S318 Q319F314-D316 VanDerWaalsContact C-N 3.32Å; F314-D316 PolarHBondContact O-N 2.87Å; D316-S318 PolarHBondContact OD1-N 2.56Å; D316-Q319 PolarHBondContact OD1-N 2.91Å; D316-Q319 WeakPolarHBondContact OD2-CB 3.33Å; D316-Q319 WeakPolarHBondContact OD2-CG 3.37Å
317F45.8Very low52.8Low180 Ų180105.7 Ų105.779%0.78952%0.521SS*.  trans-100.77.4172.4-78.2-74.8000111.5V315V315-F317 HydrophobicContact CB-CD2 4.02Å; V315-F317 HydrophobicContact CB-CE2 3.68Å; V315-F317 HydrophobicContact CB-CZ 4.46Å; V315-F317 HydrophobicContact CG1-CD2 3.71Å; V315-F317 HydrophobicContact CG1-CE1 4.28Å; V315-F317 HydrophobicContact CG1-CE2 3.22Å; V315-F317 HydrophobicContact CG1-CG 4.42Å; V315-F317 HydrophobicContact CG1-CZ 3.55Å; V315-F317 VanDerWaalsContact O-CD2 3.26Å; V315-F317 WeakPolarHBondContact O-CD2 3.42Å; V315-F317 PolarHBondContact O-N 3.32Å
318S41.4Very low52.8Low107 Ų107105.7 Ų105.775%0.74853%0.528SS*.SBendtrans-134.34.8-171.9-59.90000116.1D316D316-S318 PolarHBondContact OD1-N 2.56Å
319Q40Very low52.7Low144 Ų144110 Ų11067%0.67355%0.55SS**SBendtrans-98.2144.8158.3-70.6-169.8-400112.7D316D316-Q319 PolarHBondContact OD1-N 2.91Å; D316-Q319 WeakPolarHBondContact OD2-CB 3.33Å; D316-Q319 WeakPolarHBondContact OD2-CG 3.37Å
320P38.1Very low53.1Low100 Ų100107 Ų10765%0.64955%0.548SS*.  trans-88.6138.2-134.733.2-33.2000112.3D322P320-D322 VanDerWaalsContact C-N 3.27Å; P320-D322 PolarHBondContact O-N 2.6Å
321L40.8Very low53.7Low130 Ų130104 Ų10468%0.68154%0.537SS*.  trans41.744.9140.2-79.9146.5000116.4E323 Q326L321-E323 PolarHBondContact O-N 3.48Å; L321-Q326 VanDerWaalsContact CD2-OE1 3.32Å
322D44.8Very low54.3Low116 Ų116105.2 Ų105.262%0.6254%0.54SS*.  trans-66.1110.8164.7-99.9-30.6000106.7P320 N324 R325 Q326P320-D322 VanDerWaalsContact C-N 3.27Å; P320-D322 PolarHBondContact O-N 2.6Å; D322-N324 PolarHBondContact O-N 3.15Å; D322-R325 HydrophobicContact CB-CB 4.46Å; D322-R325 PolarHBondContact O-N 3.5Å; D322-Q326 PolarHBondContact O-N 3.21Å
323E53.8Low55.1Low128 Ų128109.8 Ų109.860%0.59856%0.56SS**Hα-helixtrans-47.1-31177.4-68.6-167.3165.100111.2L321 K327L321-E323 PolarHBondContact O-N 3.48Å; E323-K327 WeakPolarHBondContact O-CB 3.42Å; E323-K327 VanDerWaalsContact O-CD 3.26Å; E323-K327 WeakPolarHBondContact O-CD 3.38Å; E323-K327 WeakPolarHBondContact O-CG 3.38Å; E323-K327 PolarHBondContact O-N 3.08Å; E323-K327 IonicContact OE2-NZ 2.69Å; E323-K327 PolarHBondContact OE2-NZ 3.46Å
324N58Low56.2Low114 Ų114105.9 Ų105.961%0.6154%0.54SS*.Hα-helixtrans-68.6-34179.1-66.9-27.3000113.4D322 M328D322-N324 PolarHBondContact O-N 3.15Å; N324-M328 WeakPolarHBondContact O-CB 3.33Å; N324-M328 WeakPolarHBondContact O-CG 3.46Å; N324-M328 PolarHBondContact O-N 3.26Å
325R53.4Low57.2Low160 Ų160110.8 Ų110.860%0.60456%0.557SS**Hα-helixtrans-80.9-36176.7-111.3-178.6163.4-177.9-4.1112.2D322 M328 I329D322-R325 HydrophobicContact CB-CB 4.46Å; D322-R325 PolarHBondContact O-N 3.5Å; R325-M328 WeakPolarHBondContact O-CB 3.38Å; R325-M328 PolarHBondContact O-N 3.08Å; R325-I329 WeakPolarHBondContact O-CG1 3.36Å; R325-I329 PolarHBondContact O-N 3.36Å
326Q61.3Low58.1Low104 Ų104113.3 Ų113.349%0.48656%0.563SS.*Hα-helixtrans-67.3-37.9169.5-88169.9-6.700112.4L321 D322 M328 I329 A330L321-Q326 VanDerWaalsContact CD2-OE1 3.32Å; D322-Q326 PolarHBondContact O-N 3.21Å; Q326-M328 VanDerWaalsContact C-N 3.33Å; Q326-I329 PolarHBondContact O-N 2.92Å; Q326-A330 WeakPolarHBondContact O-CB 3.2Å; Q326-A330 PolarHBondContact O-N 3.44Å
327K67.4Low59.1Low105 Ų105118.8 Ų118.846%0.45758%0.579SS.*Hα-helixtrans-60.5-42.9168.7-73.9163.8-165.4165.30110.4E323 A330 L331E323-K327 WeakPolarHBondContact O-CB 3.42Å; E323-K327 VanDerWaalsContact O-CD 3.26Å; E323-K327 WeakPolarHBondContact O-CD 3.38Å; E323-K327 WeakPolarHBondContact O-CG 3.38Å; E323-K327 PolarHBondContact O-N 3.08Å; E323-K327 IonicContact OE2-NZ 2.69Å; E323-K327 PolarHBondContact OE2-NZ 3.46Å; K327-A330 PolarHBondContact O-N 2.98Å; K327-L331 WeakPolarHBondContact O-CB 3.19Å; K327-L331 WeakPolarHBondContact O-CD1 3.5Å; K327-L331 WeakPolarHBondContact O-CG 3.23Å; K327-L331 PolarHBondContact O-N 3.17Å
328M67.2Low59.7Low113 Ų113117.3 Ų117.356%0.55757%0.569SS**Hα-helixtrans-64.5-44.3175.7-87.2-77-7700113.7N324 R325 Q326 L331 L332N324-M328 WeakPolarHBondContact O-CB 3.33Å; N324-M328 WeakPolarHBondContact O-CG 3.46Å; N324-M328 PolarHBondContact O-N 3.26Å; R325-M328 WeakPolarHBondContact O-CB 3.38Å; R325-M328 PolarHBondContact O-N 3.08Å; Q326-M328 VanDerWaalsContact C-N 3.33Å; M328-L331 PolarHBondContact O-N 3.12Å; M328-L332 WeakPolarHBondContact O-CB 3.31Å; M328-L332 VanDerWaalsContact O-CG 3.3Å; M328-L332 WeakPolarHBondContact O-CG 3.42Å; M328-L332 PolarHBondContact O-N 2.87Å
329I65.9Low60.5Low92 Ų92119 Ų11947%0.47256%0.564SS.*Hα-helixtrans-67.2-42.5176.9-66.7167.5000110.2R325 Q326 L331 L332 Q333R325-I329 WeakPolarHBondContact O-CG1 3.36Å; R325-I329 PolarHBondContact O-N 3.36Å; Q326-I329 PolarHBondContact O-N 2.92Å; I329-L331 VanDerWaalsContact C-N 3.33Å; I329-L331 PolarHBondContact O-N 3.45Å; I329-L332 PolarHBondContact O-N 3.41Å; I329-Q333 HydrophobicContact CG2-CG 4.26Å; I329-Q333 VanDerWaalsContact O-CB 3.31Å; I329-Q333 WeakPolarHBondContact O-CB 3.48Å; I329-Q333 VanDerWaalsContact O-CG 3.26Å; I329-Q333 WeakPolarHBondContact O-CG 3.43Å; I329-Q333 PolarHBondContact O-N 2.91Å
330A73.3Confident61.3Low44 Ų44117.6 Ų117.636%0.36456%0.561SS.*Hα-helixtrans-64.3-37.2174.600000112Q326 K327 N334Q326-A330 WeakPolarHBondContact O-CB 3.2Å; Q326-A330 PolarHBondContact O-N 3.44Å; K327-A330 PolarHBondContact O-N 2.98Å; A330-N334 WeakPolarHBondContact O-CB 3.38Å; A330-N334 PolarHBondContact O-N 3.42Å
331L77Confident62.1Low98 Ų98115.5 Ų115.551%0.51355%0.548SS..Hα-helixtrans-66.5-43.1174-76.7170.9000111.2K327 M328 I329 N334 R335K327-L331 WeakPolarHBondContact O-CB 3.19Å; K327-L331 WeakPolarHBondContact O-CD1 3.5Å; K327-L331 WeakPolarHBondContact O-CG 3.23Å; K327-L331 PolarHBondContact O-N 3.17Å; M328-L331 PolarHBondContact O-N 3.12Å; I329-L331 VanDerWaalsContact C-N 3.33Å; I329-L331 PolarHBondContact O-N 3.45Å; L331-N334 PolarHBondContact O-N 3.23Å; L331-R335 WeakPolarHBondContact O-CB 3.29Å; L331-R335 PolarHBondContact O-N 3.04Å
332L72.1Confident62.8Low97 Ų97115 Ų11551%0.50855%0.546SS..Hα-helixtrans-66.2-44.2176.2-74.9167.6000111.9M328 I329 R335 Q336M328-L332 WeakPolarHBondContact O-CB 3.31Å; M328-L332 VanDerWaalsContact O-CG 3.3Å; M328-L332 WeakPolarHBondContact O-CG 3.42Å; M328-L332 PolarHBondContact O-N 2.87Å; I329-L332 PolarHBondContact O-N 3.41Å; L332-R335 WeakPolarHBondContact O-CB 3.37Å; L332-R335 PolarHBondContact O-N 2.82Å; L332-R335 VanDerWaalsContact O-N 3.1Å; L332-Q336 PolarHBondContact O-N 3.3Å
333Q73.1Confident63Low103 Ų103113.4 Ų113.448%0.48154%0.544SS..Hα-helixtrans-64.2-39.3174.5-73.1177.9-5.600111.5I329 R335 Q336 R337I329-Q333 HydrophobicContact CG2-CG 4.26Å; I329-Q333 VanDerWaalsContact O-CB 3.31Å; I329-Q333 WeakPolarHBondContact O-CB 3.48Å; I329-Q333 VanDerWaalsContact O-CG 3.26Å; I329-Q333 WeakPolarHBondContact O-CG 3.43Å; I329-Q333 PolarHBondContact O-N 2.91Å; Q333-R335 VanDerWaalsContact C-N 3.3Å; Q333-R335 PolarHBondContact O-N 3.38Å; Q333-Q336 PolarHBondContact O-N 3.23Å; Q333-R337 WeakPolarHBondContact O-CB 3.14Å; Q333-R337 WeakPolarHBondContact O-CG 3.12Å; Q333-R337 PolarHBondContact O-N 2.95Å
334N72.8Confident62.8Low78 Ų78116.6 Ų116.642%0.41755%0.551SS.*Hα-helixtrans-67.9-28.6172-87.7-23.1000112.7A330 L331 R338A330-N334 WeakPolarHBondContact O-CB 3.38Å; A330-N334 PolarHBondContact O-N 3.42Å; L331-N334 PolarHBondContact O-N 3.23Å; N334-R338 VanDerWaalsContact O-CB 3.28Å; N334-R338 WeakPolarHBondContact O-CB 3.25Å; N334-R338 VanDerWaalsContact O-CG 3.24Å; N334-R338 WeakPolarHBondContact O-CG 3.15Å; N334-R338 PolarHBondContact O-N 3.39Å; N334-R338 PolarHBondContact O-NE 3.17Å
335R70.5Confident62.3Low173 Ų173119.3 Ų119.365%0.65356%0.557SS**Hα-helixtrans-74-41.7174.8-141.7175.4-173.5177.51.6111.1L331 L332 Q333 R338 H339L331-R335 WeakPolarHBondContact O-CB 3.29Å; L331-R335 PolarHBondContact O-N 3.04Å; L332-R335 WeakPolarHBondContact O-CB 3.37Å; L332-R335 PolarHBondContact O-N 2.82Å; L332-R335 VanDerWaalsContact O-N 3.1Å; Q333-R335 VanDerWaalsContact C-N 3.3Å; Q333-R335 PolarHBondContact O-N 3.38Å; R335-R338 PolarHBondContact O-N 3.33Å; R335-H339 PolarHBondContact O-N 3.47Å
336Q61.7Low62Low135 Ų135120.7 Ų120.763%0.63157%0.568SS**Hα-helixtrans-65.4-43.2172.5-82.8-177.4-24.600112L332 Q333 R338 H339 L340L332-Q336 PolarHBondContact O-N 3.3Å; Q333-Q336 PolarHBondContact O-N 3.23Å; Q336-R338 VanDerWaalsContact C-N 3.32Å; Q336-R338 PolarHBondContact O-N 3.02Å; Q336-H339 PolarHBondContact O-N 3.21Å; Q336-L340 WeakPolarHBondContact O-CB 3.4Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 3.27Å
337R62.3Low61.1Low174 Ų174120.9 Ų120.966%0.65758%0.576SS**Hα-helixtrans-61.6-39.1173.2-76.1-175-167.8-170.65.5111.8Q333 L340 S341Q333-R337 WeakPolarHBondContact O-CB 3.14Å; Q333-R337 WeakPolarHBondContact O-CG 3.12Å; Q333-R337 PolarHBondContact O-N 2.95Å; R337-L340 PolarHBondContact O-N 2.95Å; R337-S341 WeakPolarHBondContact O-CB 3.29Å; R337-S341 PolarHBondContact O-N 3.43Å; R337-S341 PolarHBondContact O-OG 2.74Å
338R59.6Low59.6Low149 Ų149122.9 Ų122.956%0.56259%0.592SS**Hα-helixtrans-66.6-36174-81.2-174.7-99.6-176.3-8.4112.9N334 R335 Q336 S341 N342N334-R338 VanDerWaalsContact O-CB 3.28Å; N334-R338 WeakPolarHBondContact O-CB 3.25Å; N334-R338 VanDerWaalsContact O-CG 3.24Å; N334-R338 WeakPolarHBondContact O-CG 3.15Å; N334-R338 PolarHBondContact O-N 3.39Å; N334-R338 PolarHBondContact O-NE 3.17Å; R335-R338 PolarHBondContact O-N 3.33Å; Q336-R338 VanDerWaalsContact C-N 3.32Å; Q336-R338 PolarHBondContact O-N 3.02Å; R338-S341 WeakPolarHBondContact CA-OG 3.5Å; R338-S341 PolarHBondContact O-OG 3.11Å; R338-N342 WeakPolarHBondContact O-CB 3.32Å; R338-N342 PolarHBondContact O-N 2.66Å
339H57.2Low58.3Low142 Ų142122 Ų12266%0.65760%0.602SS**Hα-helixtrans-69-39.4172.7-96.5-86000112.6R335 Q336 S343R335-H339 PolarHBondContact O-N 3.47Å; Q336-H339 PolarHBondContact O-N 3.21Å; H339-S343 VanDerWaalsContact O-CB 3.29Å; H339-S343 WeakPolarHBondContact O-CB 3.42Å; H339-S343 PolarHBondContact O-N 3.08Å
340L56.6Low57.1Low115 Ų115127.1 Ų127.160%0.60262%0.621SS**Hα-helixtrans-71.7-31.6176.8-73.6157.9000112.7Q336 R337 R344Q336-L340 WeakPolarHBondContact O-CB 3.4Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 3.27Å; R337-L340 PolarHBondContact O-N 2.95Å; L340-R344 PolarHBondContact O-N 3.34Å
341S56.5Low55.1Low55 Ų55136.9 Ų136.939%0.38565%0.649SS.*Hα-helixtrans-83.5-29.5176.346.90000113.8R337 R338 K345R337-S341 WeakPolarHBondContact O-CB 3.29Å; R337-S341 PolarHBondContact O-N 3.43Å; R337-S341 PolarHBondContact O-OG 2.74Å; R338-S341 WeakPolarHBondContact CA-OG 3.5Å; R338-S341 PolarHBondContact O-OG 3.11Å; S341-K345 WeakPolarHBondContact O-CG 3.38Å; S341-K345 PolarHBondContact O-N 3.37Å
342N54Low53.2Low119 Ų119140.4 Ų140.464%0.63667%0.667SS**Hα-helixtrans-75.7-24167.9-91.10.1000113.2R338R338-N342 WeakPolarHBondContact O-CB 3.32Å; R338-N342 PolarHBondContact O-N 2.66Å
343S49.8Very low51.8Low83 Ų83144.2 Ų144.258%0.5869%0.687SS**Hα-helixtrans-76.2-24.5172-165.10000112.8H339H339-S343 VanDerWaalsContact O-CB 3.29Å; H339-S343 WeakPolarHBondContact O-CB 3.42Å; H339-S343 PolarHBondContact O-N 3.08Å
344R48.7Very low50.1Low195 Ų195144.6 Ų144.674%0.73670%0.699SS**Hα-helixtrans-86.4-23.9174-75.1-177.5-173.5-177.31.5113.9L340 T347L340-R344 PolarHBondContact O-N 3.34Å; R344-T347 PolarHBondContact O-OG1 3.05Å
345K49.2Very low48.4Very low171 Ų171147.3 Ų147.374%0.74372%0.723SS**THydrogen-bonded Turntrans-83.7-6.6177.4-74.5-176177.8-175.80114.8S341S341-K345 WeakPolarHBondContact O-CG 3.38Å; S341-K345 PolarHBondContact O-N 3.37Å
346K45.6Very low46.7Very low189 Ų189142.6 Ų142.682%0.82273%0.729SS**THydrogen-bonded Turntrans-101-2.2180-136.9175.4-176.4-178.80114.2
347T41.8Very low45.4Very low109 Ų109142.2 Ų142.267%0.66974%0.741SS**SBendtrans-108.9-5.6178.747.80000114.5R344R344-T347 PolarHBondContact O-OG1 3.05Å
348D37.6Very low44.1Very low146 Ų146137.6 Ų137.678%0.78175%0.748SS**SBendtrans-120.238.6-176.2-78.9-45.9000114
349A38.5Very low42.9Very low94 Ų94138.9 Ų138.978%0.77776%0.76SS**SBendtrans-117.220177.300000113.8
350K41Very low41.8Very low200 Ų200139.6 Ų139.687%0.8777%0.768SS**SBendtrans-140.250.5-175.4-133.4175-169.2-179.90113.6
351R32.3Very low40.6Very low250 Ų250137.2 Ų137.294%0.94377%0.771SS**  trans-173.396.9153.5-113.2173.7-166.8-155.52.1110.7
352L35.5Very low39.7Very low171 Ų171140 Ų14090%0.89579%0.791SS**  trans-129.1110.5160.8-79.1171.7000107.4
353L44.6Very low38.7Very low177 Ų177144.5 Ų144.593%0.92780%0.799SS**  trans-138.9117.3152-85.5170.5000105.8
354P36.9Very low38.1Very low112 Ų112147 Ų14773%0.72780%0.801SS**  trans-105.1133179.535.4-25.6000110.9
355S36.3Very low37.6Very low134 Ų134146.6 Ų146.694%0.93781%0.805SS**  trans174.7141.3142.6-94.10000111.2
356G35.9Very low37.2Very low74 Ų74146 Ų14676%0.76381%0.808SS**  trans12084.315500000115
357S34.3Very low36.7Very low128 Ų128141.1 Ų141.190%0.89580%0.803SS**  trans-33.4145154.846.80000116.1
358G33.8Very low36.5Very low77 Ų77143.5 Ų143.579%0.79481%0.812SS**  trans160.386.916000000116.1
359Q35.1Very low36.5Very low175 Ų175141.3 Ų141.382%0.81881%0.807SS**  trans11.3139.7145.2-88.5179.8-28.400122.4
360L33.9Very low36.5Very low158 Ų158145.8 Ų145.883%0.82781%0.814SS**  trans74.5119.8135-73.9158.3000119.9
361G30.9Very low36.1Very low64 Ų64145.8 Ų145.866%0.6681%0.809SS**  127.8115.2129.800000117.8
362S37.8Very low36.1Very low115 Ų115140.1 Ų140.180%0.80480%0.802SS**  trans79.9113.2133.9-47.40000118.3
363R34.4Very low36.2Very low213 Ų213139.4 Ų139.480%0.80479%0.794SS**  71124105.7-103.8177.989.3159.43112.4
364E36.2Very low35.5Very low134 Ų134138.4 Ų138.463%0.62679%0.789SS**  -167.713850.7-99155.1163.200109.3
365K38.5Very low35.5Very low187 Ų187139.3 Ų139.381%0.81379%0.793SS**  50126.1104.7-65.6-172.2175.3-176.60114.5
366I40Very low35.4Very low160 Ų160141.7 Ų141.782%0.82179%0.789SS**  -174.4124.381.6-74.6149.1000104.8
367A35.9Very low35.2Very low86 Ų86147.6 Ų147.671%0.71179%0.794SS**  83.1113.352.200000115.6
368D37.3Very low35.1Very low159 Ų159146.4 Ų146.485%0.8579%0.785SS**  trans179.8110135.3-104.3-20.5000108.1
369S37.3Very low35.1Very low99 Ų99148 Ų14869%0.69278%0.784SS**  67.6124.855.9-147.90000112.3
370M39.5Very low35.1Very low188 Ų188143.9 Ų143.993%0.92678%0.775SS**  -161179.163.1-63.3172.2110.100111.1
371R32.6Very low35.2Very low201 Ų201144.5 Ų144.576%0.75877%0.771SS**  -163.4134.5-75.3171.2172.3173.8174.1-6.6105.4E373R371-E373 IonicContact NH2-OE1 3.78Å
372V31.5Very low35.2Very low131 Ų131149.4 Ų149.479%0.79478%0.776SS**  trans-84.4139.4168.6173.20000108.7
373E37.6Very low34.8Very low156 Ų156151.7 Ų151.773%0.72978%0.779SS**  trans-119129.8163.1-81.1-168.2146.200111R371R371-E373 IonicContact NH2-OE1 3.78Å
374N29.3Very low34.9Very low155 Ų155146.3 Ų146.383%0.82977%0.771SS**  trans-128.1128.3171.7-158.87.7000105.1
375V38.3Very low34.7Very low131 Ų131147.8 Ų147.879%0.79478%0.778SS**  trans-125127.5173.8171.50000109.3
376Q32.4Very low34.3Very low184 Ų184144.5 Ų144.586%0.8677%0.77SS**  trans-75.9148.5177.4-65.7165.2-82.400113.4
377K32.5Very low33.7Very low199 Ų199146.4 Ų146.487%0.86577%0.772SS**  trans-172.694.7136.5-117.6174.1173177.50107.5
378S31.9Very low33.6Very low102 Ų102145.3 Ų145.371%0.71377%0.769SS**  73.3127.178.575.30000116.1
379S34.1Very low33.3Very low111 Ų111143.8 Ų143.878%0.77677%0.766SS**  trans92.6127.1154.8-159.60000116.1
380S36.1Very low33.2Very low88 Ų88144.7 Ų144.762%0.61577%0.767SS**  cis-169144-2.1-900000109.6
381K34.7Very low32.9Very low172 Ų172141.3 Ų141.375%0.74876%0.757SS**  trans49.1146.8132.3-61.2-177.2171.2-166.50120.8
382E31.7Very low33.1Very low166 Ų166138.5 Ų138.578%0.77676%0.756SS**  cis-170.2171.9-2.2-112.1168.6168.900107.3
383L28.1Very low33.4Very low164 Ų164136.5 Ų136.586%0.85975%0.748SS**  trans-90.2-163.8-161-136.794.5000113.1
384P37.5Very low33Very low99 Ų99135.4 Ų135.464%0.64375%0.752SS**  -125.1-153.8-117.240.1-16.8000113.9
385Q31.9Very low33.4Very low166 Ų166133.6 Ų133.678%0.77675%0.751SS**  trans95.6125.4158.4-82.9-179.6-16.300120.9
386N30.3Very low33.2Very low117 Ų117137.6 Ų137.663%0.62676%0.758SS**  102.9119.4127.6-77.4-3.3000123
387F27.3Very low33.2Very low200 Ų200132.6 Ų132.688%0.87776%0.756SS**  trans58.2139.1133.4-70.6-75.7000123.2
388G33.1Very low33Very low63 Ų63131.6 Ų131.665%0.64976%0.758SS**  trans131.979.6151.200000114.8
389T31Very low33Very low127 Ų127130.6 Ų130.678%0.77976%0.756SS**  66121.597.7-38.60000115.1
390T35.1Very low32.7Very low118 Ų118134.9 Ų134.972%0.72476%0.764SS**  164114.3111.8-62.60000113.4
391V34.3Very low32.5Very low117 Ų117134.5 Ų134.571%0.70977%0.774SS**  47.8141.6126.7-151.50000117.8
392I36.7Very low32.4Very low142 Ų142136.4 Ų136.473%0.72878%0.783SS**  -168.214853.8-32.8-161.9000113.9
393S36.8Very low32.5Very low90 Ų90132.9 Ų132.963%0.62978%0.782SS**  trans73.8104.1140.8380000121
394T30.2Very low32.8Very low132 Ų132130.5 Ų130.581%0.8178%0.776SS**  75112.176.758.70000116.5
395S38.5Very low32.4Very low117 Ų117130.5 Ų130.582%0.81879%0.785SS**  176.2124.4110.642.10000114.1
396K32.7Very low32.6Very low215 Ų215133.2 Ų133.294%0.93579%0.789SS**  trans37.6131.6139.2-69.2177.6175.3176.20121.7
397G32.3Very low32.7Very low79 Ų79139.2 Ų139.281%0.81480%0.803SS**  trans15695.8144.100000115.4
398I29.3Very low32.9Very low178 Ų178139.5 Ų139.591%0.91380%0.804SS**  trans-72.2135.5174.5-65.8157.4000110.2
399A32.2Very low32.9Very low82 Ų82144.8 Ų144.868%0.67882%0.816SS**  trans167.8120.9131.900000113.1
400E27.1Very low32.9Very low200 Ų200143.2 Ų143.294%0.93581%0.81SS**  trans42.8112.8136.6-58-174.1147.700120.5
401G32.1Very low32.9Very low81 Ų81146.9 Ų146.984%0.83582%0.819SS**  trans-150.5105.3166.200000111.5
402K33.1Very low32.9Very low212 Ų212149.5 Ų149.592%0.92282%0.821SS**PPolyproline II helixtrans-61.4146.5-173.6-75.7165.7172.1168.70114.6
403A33.2Very low32.5Very low92 Ų92148.8 Ų148.876%0.7683%0.826SS**PPolyproline II helixtrans-61.3156.7166.700000113.3
404P34.6Very low32.3Very low114 Ų114152.3 Ų152.374%0.7484%0.836SS**PPolyproline II helixtrans-80.7138.8-168.332.4-32.5000112.5
405A29.9Very low32.5Very low99 Ų99154.8 Ų154.882%0.81884%0.835SS**  trans-84.4111.4177.100000111.3
406Y36Very low32Very low222 Ų222157.2 Ų157.287%0.87184%0.838SS**PPolyproline II helixtrans-85119.6159.6-81.7-85.3000109.5K408Y406-K408 PolarHBondContact O-N 3.28Å
407R31.8Very low31.9Very low244 Ų244153.9 Ų153.992%0.92183%0.829SS**PPolyproline II helixtrans-66.7123.5177.7-88.7178.9174.5163.4-1.1110.7L409R407-L409 PolarHBondContact O-N 3.27Å
408K30.7Very low31.7Very low206 Ų206154.5 Ų154.590%0.89683%0.826SS**PPolyproline II helixtrans-60.6116.9161.3-71.6177.7175.8179.90110Y406Y406-K408 PolarHBondContact O-N 3.28Å
409L33.1Very low31.9Very low173 Ų173155.9 Ų155.991%0.90683%0.825SS**  trans-89.9105.3158.5-100.6144.1000108.1R407 Q411R407-L409 PolarHBondContact O-N 3.27Å; L409-Q411 PolarHBondContact O-N 3.17Å
410S32.2Very low31.7Very low94 Ų94157.1 Ų157.166%0.65783%0.829SS**  trans-74.4115.3175.1177.20000109.3K412S410-K412 PolarHBondContact O-N 2.98Å
411Q34.8Very low32.1Very low195 Ų195158.9 Ų158.991%0.91183%0.827SS**  trans-66.9120.9162.5-71.2176.4-12.600108.8L409L409-Q411 PolarHBondContact O-N 3.17Å
412K33.7Very low32.3Very low172 Ų172160.5 Ų160.575%0.74883%0.826SS**  trans-122.5140.1159.9-80.7-175.5178.4178.70108.3S410S410-K412 PolarHBondContact O-N 2.98Å
413P27.6Very low32.4Very low128 Ų128154.4 Ų154.483%0.83182%0.815SS**  trans-80127.9-176.832.5-30.9000109.5
414I33.7Very low32.6Very low164 Ų164158.1 Ų158.184%0.84182%0.822SS**  trans-105.5118.6171.2-62.4180000109.3
415K34.2Very low32.6Very low183 Ų183163.8 Ų163.880%0.79683%0.829SS**  trans-60.6137177.5-72.1171.3172.21770112I417K415-I417 PolarHBondContact O-N 2.83Å
416I27.6Very low33.1Very low169 Ų169169.4 Ų169.487%0.86784%0.835SS**  trans-66.5119.5162.4-61.1167.5000108.3
417I31.1Very low32.8Very low145 Ų145164.1 Ų164.174%0.74483%0.83SS**  trans-132.4111.2163.8-64.4179.7000107.9K415K415-I417 PolarHBondContact O-N 2.83Å
418A27.8Very low33Very low92 Ų92157.1 Ų157.176%0.7682%0.819SS**  trans-67.7136.2168.300000110.5
419K34.2Very low33.3Very low206 Ų206156.4 Ų156.490%0.89682%0.816SS**  trans-116.8108.5165.4-110.4177.6-179.61730109
420S28Very low33.2Very low109 Ų109156.1 Ų156.176%0.76281%0.81SS**  trans-62.9142163.952.10000111.3
421R35.4Very low33.3Very low237 Ų237158 Ų15889%0.89482%0.817SS**  trans-161.5113.2138.9-108.5170.1-173.3-161.20.2111.2
422S36.6Very low33Very low114 Ų114154.3 Ų154.380%0.79781%0.808SS**  trans57.7144.3138.367.20000119.9
423A34.9Very low32.9Very low85 Ų85154.4 Ų154.470%0.70282%0.816SS**  cis-177128.5-15.500000102.1
424D36.2Very low33.5Very low169 Ų169151.8 Ų151.890%0.90481%0.812SS**  trans-167.4142.1140.7-110.2-35.8000113.9
425R34.8Very low33.7Very low234 Ų234150.3 Ų150.388%0.88382%0.816SS**  trans-80.9141-167.9-70.4165.1160.1-178.8-6111.5
426K41.4Very low33.8Very low216 Ų216145.1 Ų145.194%0.93982%0.815SS**  -163.4130128.2-111.4167.3-176.1176.70112.7
427S30Very low34.2Very low111 Ų111149.1 Ų149.178%0.77682%0.819SS**  trans-74145.4-178.5136.70000112.5
428S34.6Very low34.5Very low98 Ų98150.1 Ų150.169%0.68582%0.82SS**  trans-176.4123.6130-82.20000112.6
429K37.1Very low34.9Very low191 Ų191152.1 Ų152.183%0.8382%0.823SS**  trans60.4149.8140.5-61.4178.4177.2-176.70119
430E30.6Very low35Very low166 Ų166149 Ų14978%0.77682%0.815SS**  cis173.5162.6-17.6-163.1167.4-174.200102.9
431V34.3Very low35.7Very low134 Ų134150.8 Ų150.881%0.81282%0.822SS**  trans103.9130163.1-165.20000118.3
432T29.3Very low35.8Very low118 Ų118144.3 Ų144.372%0.72482%0.819SS**  trans-107170.3-159.7-34.20000111.7
433L32.6Very low36.4Very low173 Ų173148.7 Ų148.791%0.90682%0.824SS**  trans105.1133.3143.4-72.6147.5000121.2
434G39.5Very low36.5Very low73 Ų73151.7 Ų151.775%0.75383%0.828SS**  trans123.396.8156.700000113.1
435S36.9Very low37.2Very low134 Ų134153.4 Ų153.494%0.93783%0.827SS**  82124.952.6-1630000115.9
436G37.5Very low37.4Very low74 Ų74145.5 Ų145.576%0.76382%0.818SS**  trans103.7139.1159.200000115.9
437R36Very low37.5Very low252 Ų252144.6 Ų144.695%0.95182%0.815SS**  cis-168.5155.37.8-152.4173.3-173-179.81.3109.9
438Q36.2Very low38.1Very low166 Ų166147.8 Ų147.878%0.77682%0.817SS**  trans-71.8171.5-177.2-63.2164.6-2500115.7
439V36.6Very low38.4Very low134 Ų134148.5 Ų148.581%0.81282%0.817SS**  172.3103.4128.3158.80000107.7
440L36.3Very low38.6Very low140 Ų140144.2 Ų144.273%0.73381%0.811SS**  58.911884.2-68177000116.5
441T43.6Very low39.1Very low148 Ų148140.9 Ų140.991%0.90881%0.806SS**  -175.9136.4113.136.40000111.8
442A36.3Very low39.4Very low100 Ų100139.6 Ų139.683%0.82680%0.803SS**  trans-102.5156.3177.500000110.9
443K49.7Very low40.1Very low207 Ų207142.6 Ų142.690%0.981%0.809SS**  trans-145.4112.7159.5-147.5172.8-172173.90110.2
444D37.9Very low40.6Very low148 Ų148139.3 Ų139.379%0.79180%0.8SS**  trans-113.3138.6178.8-161.2-7.7000108
445K49.2Very low40.8Very low204 Ų204141.7 Ų141.789%0.88780%0.8SS**  trans-152.9107.2166.4-90.8-162.5177-1760108.3
446G38.7Very low41.1Very low68 Ų68144.3 Ų144.370%0.70180%0.795SS**  trans-92.3167.6176.800000115.6
447K44.2Very low41.6Very low198 Ų198147.3 Ų147.386%0.86180%0.798SS**  trans173115.2130.4-104.3176.4170.7-179.80107.1
448Q42.5Very low42.4Very low177 Ų177144.6 Ų144.683%0.82779%0.793SS**  54.7126.787.5-105.9-158.9-1.500111.7
449V42.1Very low42.9Very low114 Ų114148.5 Ų148.569%0.69182%0.818SS**  cis-161159.334.9173.70000110
450S40.5Very low43.2Very low101 Ų101149.2 Ų149.271%0.70682%0.819SS**  trans-43.1175.4163.666.20000115.6
451S40.1Very low43.6Very low96 Ų96149.7 Ų149.767%0.67182%0.823SS**  cis-175.6149.914.716.20000107.6
452S41.7Very low43.6Very low106 Ų106149.8 Ų149.874%0.74182%0.818SS**  trans64119.2137.6-55.70000122.4
453Q44.2Very low44Very low181 Ų181152.7 Ų152.785%0.84682%0.818SS**  85.7123.2129.9-71.9-175.6-7.600121.1
454S42.2Very low43.6Very low104 Ų104149.3 Ų149.373%0.72781%0.813SS**  trans83.8120133.9-94.30000121.1
455V44.2Very low44Very low123 Ų123149.4 Ų149.475%0.74581%0.814SS**  trans82112.1133-177.90000117.2
456K43.6Very low43.6Very low190 Ų190145.5 Ų145.583%0.82681%0.809SS**  trans21.8127.9138.7-61.2174174.4175.20116.3
457T47Very low44Very low137 Ų137151.5 Ų151.584%0.8482%0.817SS**  177.1147.791.3-60.60000109.3
458K53.8Low44Very low194 Ų194147.6 Ų147.684%0.84381%0.814SS**  trans-55.2138.4179-67.2172.1170.8-178.80113.8
459L46.3Very low44.1Very low248 Ų248144.9 Ų144.9100%1.29881%0.812SS**  -147.90119.4-109.6157000108

Retrieved 459 of 459 residues in 261.4 ms (Link to these results)

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