A0A087XXE6_POEFO Loading...

Cilia- and flagella-associated protein 300

Cilium- and flagellum-specific protein that plays a role in axonemal structure organization and motility. May play a role in outer and inner dynein arm assembly.

AlphaFold DB , UniProt , Accession A0A087XXE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 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
1M34.5Very low45.5Very low248 Ų248130.1 Ų130.1100%1.22279%0.789SS**  0110.30-71.8-93.9-93.200106.4
2A39.5Very low49Very low114 Ų114119.8 Ų119.894%0.94273%0.725SS**  trans-80.2162.1-177.700000111.6
3G34.3Very low52.1Low80 Ų80115 Ų11583%0.82570%0.701SS**  trans138.491.717200000109.2
4G37.7Very low55.1Low77 Ų77107 Ų10779%0.79465%0.652SS**  cis95.783.129.900000108.8
5E35.6Very low57.7Low196 Ų196104.1 Ų104.192%0.91664%0.637SS**  trans-148.382.3154.5-102.8174.2-160.700106.7A7E5-A7 PolarHBondContact O-N 2.93Å
6S38Very low59.9Low100 Ų100100.4 Ų100.470%0.69962%0.616SS**  trans-63.4107.5155.9166.30000105.3F8S6-F8 VanDerWaalsContact C-N 3.33Å; S6-F8 PolarHBondContact O-N 3.17Å
7A40.3Very low61.7Low86 Ų8697.8 Ų97.871%0.71160%0.597SS**  trans-56.5107.7160.800000105.5E5 E9E5-A7 PolarHBondContact O-N 2.93Å; A7-E9 PolarHBondContact O-N 2.83Å
8F42.8Very low62.7Low187 Ų18799.3 Ų99.382%0.8261%0.609SS**  trans-59.797.4167.8-90.1-98.6000105.7S6 Q10S6-F8 VanDerWaalsContact C-N 3.33Å; S6-F8 PolarHBondContact O-N 3.17Å; F8-Q10 VanDerWaalsContact C-N 3.26Å; F8-Q10 PolarHBondContact O-N 3.05Å
9E55.5Low63.4Low170 Ų17099.5 Ų99.579%0.79462%0.621SS**  trans-58.2100.3164-77.3-174.9162.800105.6A7 T11A7-E9 PolarHBondContact O-N 2.83Å; E9-T11 VanDerWaalsContact C-N 3.33Å; E9-T11 PolarHBondContact O-N 2.84Å; E9-T11 PolarHBondContact O-OG1 2.81Å; E9-T11 VanDerWaalsContact O-OG1 3.05Å
10Q60.4Low64.3Low74 Ų7498.4 Ų98.435%0.34661%0.607SS.*  trans-58.5102.9176.8-81.8-179.5-11.300107.2F8 F12F8-Q10 VanDerWaalsContact C-N 3.26Å; F8-Q10 PolarHBondContact O-N 3.05Å; Q10-F12 HydrophobicContact CB-CE2 3.98Å; Q10-F12 HydrophobicContact CB-CZ 4.46Å
11T81.6Confident65.1Low99 Ų9997 Ų9761%0.60760%0.601SS**  trans-91.1111.2-180-54.80000106.2E9E9-T11 VanDerWaalsContact C-N 3.33Å; E9-T11 PolarHBondContact O-N 2.84Å; E9-T11 PolarHBondContact O-OG1 2.81Å; E9-T11 VanDerWaalsContact O-OG1 3.05Å
12F87.6Confident67.7Low6 Ų685.4 Ų85.43%0.02654%0.544CS..  trans-88.5134.6174-67.2-90000109.2Q10 F14 F62 C65Q10-F12 HydrophobicContact CB-CE2 3.98Å; Q10-F12 HydrophobicContact CB-CZ 4.46Å; F12-F14 HydrophobicContact CB-CD2 4.44Å; F12-F14 HydrophobicContact CB-CE1 4.48Å; F12-F14 HydrophobicContact CB-CE2 3.52Å; F12-F14 HydrophobicContact CB-CZ 3.56Å; F12-F14 HydrophobicContact CG-CZ 4.3Å; F12-F62 AromaticContact CD1-CD2 3.64Å; F12-F62 HydrophobicContact CD1-CD2 3.64Å; F12-F62 AromaticContact CD1-CE2 3.81Å; F12-F62 HydrophobicContact CD1-CE2 3.81Å; F12-F62 AromaticContact CD2-CD2 3.97Å; F12-F62 HydrophobicContact CD2-CD2 3.97Å; F12-F62 AromaticContact CE1-CD2 3.65Å; F12-F62 HydrophobicContact CE1-CD2 3.65Å; F12-F62 HydrophobicContact CE1-CE2 4.03Å; F12-F62 HydrophobicContact CE2-CB 4.28Å; F12-F62 AromaticContact CE2-CD2 3.98Å; F12-F62 HydrophobicContact CE2-CD2 3.98Å; F12-F62 AromaticContact CG-CD2 3.81Å; F12-F62 HydrophobicContact CG-CD2 3.81Å; F12-F62 HydrophobicContact CG-CE2 4.24Å; F12-F62 AromaticContact CZ-CD2 3.83Å; F12-F62 HydrophobicContact CZ-CD2 3.83Å; F12-C65 HydrophobicContact CB-CB 4.05Å; F12-C65 HydrophobicContact CD2-CB 4.27Å
13S89.7Confident69.9Low58 Ų5883.8 Ų83.841%0.40653%0.525SS..  trans-106.9138.4169-45.40000109.5F50 D51S13-F50 WeakPolarHBondContact O-CA 3.37Å; S13-D51 VanDerWaalsContact CB-OD2 3.27Å; S13-D51 WeakPolarHBondContact CB-OD2 3.22Å; S13-D51 PolarHBondContact N-OD1 3.43Å; S13-D51 PolarHBondContact OG-OD2 3.03Å
14F94.6Very high72.5Confident3 Ų380 Ų801%0.01349%0.486CS..EExtended strand (participates in β ladder)trans-116.9142.2-177.7-60.3-88000111.6F12 S49 F50 F62 C65 F66 D69 V72 V249F12-F14 HydrophobicContact CB-CD2 4.44Å; F12-F14 HydrophobicContact CB-CE1 4.48Å; F12-F14 HydrophobicContact CB-CE2 3.52Å; F12-F14 HydrophobicContact CB-CZ 3.56Å; F12-F14 HydrophobicContact CG-CZ 4.3Å; F14-S49 WeakPolarHBondContact CA-O 3.45Å; F14-F50 HydrophobicContact CD1-CB 3.87Å; F14-F50 HydrophobicContact CE1-CB 3.8Å; F14-F62 HydrophobicContact CE1-CE1 4.29Å; F14-F62 AromaticContact CE1-CE2 3.71Å; F14-F62 HydrophobicContact CE1-CE2 3.71Å; F14-F62 AromaticContact CE1-CZ 3.57Å; F14-F62 HydrophobicContact CE1-CZ 3.57Å; F14-F62 HydrophobicContact CZ-CD2 4.19Å; F14-F62 HydrophobicContact CZ-CE1 4.45Å; F14-F62 AromaticContact CZ-CE2 3.79Å; F14-F62 HydrophobicContact CZ-CE2 3.79Å; F14-F62 AromaticContact CZ-CZ 3.95Å; F14-F62 HydrophobicContact CZ-CZ 3.95Å; F14-C65 HydrophobicContact CE2-CB 4.08Å; F14-F66 AromaticContact CD1-CD2 3.65Å; F14-F66 HydrophobicContact CD1-CD2 3.65Å; F14-F66 HydrophobicContact CD1-CE2 4.23Å; F14-F66 HydrophobicContact CD2-CD2 4.35Å; F14-F66 HydrophobicContact CE1-CB 4.32Å; F14-F66 AromaticContact CE1-CD2 3.66Å; F14-F66 HydrophobicContact CE1-CD2 3.66Å; F14-F66 HydrophobicContact CE1-CG 4.5Å; F14-F66 HydrophobicContact CE2-CB 3.97Å; F14-F66 HydrophobicContact CE2-CD2 4.36Å; F14-F66 AromaticContact CG-CD2 4Å; F14-F66 HydrophobicContact CG-CD2 4Å; F14-F66 HydrophobicContact CZ-CB 3.82Å; F14-F66 HydrophobicContact CZ-CD2 4.02Å; F14-F66 HydrophobicContact CZ-CG 4.45Å; F14-D69 HydrophobicContact CB-CB 4.4Å; F14-D69 HydrophobicContact CD2-CB 3.73Å; F14-D69 HydrophobicContact CG-CB 4.5Å; F14-D69 PolarHBondContact N-OD2 3.2Å; F14-V72 HydrophobicContact CB-CG2 3.65Å; F14-V72 HydrophobicContact CD2-CG2 4.47Å; F14-V72 HydrophobicContact CG-CG2 4.13Å; F14-V249 HydrophobicContact CD1-CG1 3.92Å; F14-V249 HydrophobicContact CE1-CG1 3.93Å
15S93.6Very high74.8Confident63 Ų6379.6 Ų79.644%0.44146%0.463SS..EExtended strand (participates in β ladder)trans-129.3123176-65.50000110.2Y48 S49S15-Y48 CarbonylContact O-C 3.52Å; S15-Y48 WeakPolarHBondContact O-CA 3.45Å; S15-S49 PolarHBondContact N-O 3.22Å; S15-S49 PolarHBondContact O-N 3.37Å; S15-S49 PolarHBondContact O-OG 2.73Å
16P92.1Very high77.3Confident45 Ų4576 Ų7629%0.29245%0.446SS..EExtended strand (participates in β ladder)trans-63.7139.7-179.625.4-33.1000110.8P18 Y48P16-P18 VanDerWaalsContact C-CD 3.41Å; P16-P18 WeakPolarHBondContact O-CD 3.07Å; P16-Y48 HydrophobicContact CB-CD1 3.91Å; P16-Y48 HydrophobicContact CB-CE1 3.87Å
17L90.9Very high79.8Confident57 Ų5773.6 Ų73.630%0.29843%0.426SS..  trans-112.174.7177-61.9-178.1000110.1A19 K20 T47 N248L17-A19 PolarHBondContact O-N 3.28Å; L17-K20 HydrophobicContact CB-CB 4.47Å; L17-K20 PolarHBondContact O-N 2.87Å; L17-K20 VanDerWaalsContact O-N 3.15Å; L17-T47 HydrophobicContact CD1-CG2 4.05Å; L17-T47 PolarHBondContact N-O 2.87Å; L17-N248 WeakPolarHBondContact CD1-OD1 3.4Å
18P79.5Confident82.3Confident125 Ų12576.7 Ų76.781%0.81242%0.423SS*.THydrogen-bonded Turntrans-66.2-22.2-175.127.6-35.8000113.3P16 K20P16-P18 VanDerWaalsContact C-CD 3.41Å; P16-P18 WeakPolarHBondContact O-CD 3.07Å; P18-K20 PolarHBondContact O-N 3.44Å
19A75.8Confident84.8Confident102 Ų10273.2 Ų73.284%0.84341%0.413SS*.THydrogen-bonded Turntrans-72.8-13.617800000113.5L17 S21L17-A19 PolarHBondContact O-N 3.28Å; A19-S21 PolarHBondContact O-N 2.98Å
20K81.6Confident86.6Confident77 Ų7765.1 Ų65.134%0.33538%0.375SS..  trans-88.2101.1178.9-169.6177.4171.3-157.20109L17 P18 T47L17-K20 HydrophobicContact CB-CB 4.47Å; L17-K20 PolarHBondContact O-N 2.87Å; L17-K20 VanDerWaalsContact O-N 3.15Å; P18-K20 PolarHBondContact O-N 3.44Å; K20-T47 HydrophobicContact CD-CG2 3.82Å; K20-T47 PolarHBondContact NZ-OG1 3.27Å
21S82.1Confident88.2Confident70 Ų7063.1 Ų63.149%0.4937%0.367SS..  trans-91159.8172.9670000112.1A19 E26A19-S21 PolarHBondContact O-N 2.98Å; S21-E26 WeakPolarHBondContact CB-OE1 3.49Å; S21-E26 PolarHBondContact OG-OE1 3.04Å
22F88.6Confident88.9Confident5 Ų561 Ų612%0.02235%0.354CS..  trans-113.1131.9175.9-62.3-87.8000108.8F24 Q25 A45 T47 D195 L196 T250F22-F24 HydrophobicContact CB-CD1 3.59Å; F22-F24 HydrophobicContact CB-CE1 3.39Å; F22-F24 HydrophobicContact CB-CG 4.41Å; F22-F24 HydrophobicContact CB-CZ 4.09Å; F22-F24 AromaticContact CD1-CE1 3.89Å; F22-F24 HydrophobicContact CD1-CE1 3.89Å; F22-F24 HydrophobicContact CG-CD1 4.36Å; F22-F24 AromaticContact CG-CE1 3.71Å; F22-F24 HydrophobicContact CG-CE1 3.71Å; F22-F24 HydrophobicContact CG-CZ 4.32Å; F22-F24 PolarHBondContact O-N 3.15Å; F22-Q25 HydrophobicContact CB-CG 4.25Å; F22-Q25 WeakPolarHBondContact O-CB 3.2Å; F22-Q25 PolarHBondContact O-N 2.98Å; F22-A45 HydrophobicContact CD2-CB 3.72Å; F22-A45 HydrophobicContact CE1-CB 4.44Å; F22-A45 HydrophobicContact CE2-CB 3.49Å; F22-A45 VanDerWaalsContact CE2-CB 3.49Å; F22-A45 HydrophobicContact CG-CB 4.27Å; F22-A45 HydrophobicContact CZ-CB 3.88Å; F22-T47 VanDerWaalsContact CZ-OG1 3.27Å; F22-T47 WeakPolarHBondContact CZ-OG1 3.27Å; F22-D195 HydrophobicContact CD1-CB 4.17Å; F22-L196 HydrophobicContact CD1-CD2 4.13Å; F22-L196 HydrophobicContact CE1-CD2 3.76Å; F22-L196 HydrophobicContact CZ-CD2 4.4Å; F22-T250 HydrophobicContact CE1-CG2 4.02Å; F22-T250 HydrophobicContact CE2-CG2 4.32Å; F22-T250 HydrophobicContact CZ-CG2 3.44Å; F22-T250 VanDerWaalsContact CZ-CG2 3.44Å
23C86.6Confident89.3Confident79 Ų7962.5 Ų62.553%0.53436%0.362SS..G310 helixtrans-59.3-34.1-176.9-61.90000111.7Q25 E26 D27 D195C23-Q25 PolarHBondContact O-N 3.49Å; C23-E26 PolarHBondContact O-N 3.47Å; C23-E26 VanDerWaalsContact O-N 3.11Å; C23-D27 VanDerWaalsContact O-CB 3.24Å; C23-D27 WeakPolarHBondContact O-CB 3.43Å; C23-D27 PolarHBondContact O-N 3.35Å; C23-D195 WeakPolarHBondContact CA-OD2 3.43Å; C23-D195 VanDerWaalsContact CB-OD2 3.26Å; C23-D195 WeakPolarHBondContact CB-OD2 3.47Å; C23-D195 PolarHBondContact N-OD2 3.35Å
24F87.6Confident89.6Confident2 Ų260 Ų601%0.00934%0.344CS..G310 helixtrans-65.2-17.9175.677.2-98000114.6F22 T30 L43 A45 I192 D195 L196 L252F22-F24 HydrophobicContact CB-CD1 3.59Å; F22-F24 HydrophobicContact CB-CE1 3.39Å; F22-F24 HydrophobicContact CB-CG 4.41Å; F22-F24 HydrophobicContact CB-CZ 4.09Å; F22-F24 AromaticContact CD1-CE1 3.89Å; F22-F24 HydrophobicContact CD1-CE1 3.89Å; F22-F24 HydrophobicContact CG-CD1 4.36Å; F22-F24 AromaticContact CG-CE1 3.71Å; F22-F24 HydrophobicContact CG-CE1 3.71Å; F22-F24 HydrophobicContact CG-CZ 4.32Å; F22-F24 PolarHBondContact O-N 3.15Å; F24-T30 HydrophobicContact CB-CG2 3.98Å; F24-T30 WeakPolarHBondContact O-CG2 3.06Å; F24-L43 HydrophobicContact CE2-CD2 4.46Å; F24-A45 HydrophobicContact CE1-CB 4.36Å; F24-A45 HydrophobicContact CZ-CB 3.73Å; F24-I192 HydrophobicContact CB-CG1 3.63Å; F24-I192 HydrophobicContact CD1-CB 4.35Å; F24-I192 HydrophobicContact CD1-CG1 4.07Å; F24-I192 HydrophobicContact CD1-CG2 4.22Å; F24-I192 HydrophobicContact CD2-CD1 4.33Å; F24-I192 HydrophobicContact CD2-CG1 3.98Å; F24-I192 HydrophobicContact CE1-CG2 4.2Å; F24-I192 HydrophobicContact CG-CB 4.42Å; F24-I192 HydrophobicContact CG-CD1 4.48Å; F24-I192 HydrophobicContact CG-CG1 3.65Å; F24-I192 HydrophobicContact CZ-CG2 4.49Å; F24-D195 HydrophobicContact CD1-CB 4Å; F24-D195 WeakPolarHBondContact CD1-OD2 2.9Å; F24-D195 HydrophobicContact CE1-CB 4.44Å; F24-D195 PolarHBondContact N-OD2 3.41Å; F24-L196 HydrophobicContact CE1-CD2 4.25Å; F24-L196 HydrophobicContact CE1-CG 4.41Å; F24-L252 HydrophobicContact CZ-CD1 4.26Å
25Q85.7Confident89.6Confident67 Ų6762.2 Ų62.231%0.31336%0.355SS..G310 helixtrans-92.3-6175.2-64.1-175.6-5800113.2F22 C23F22-Q25 HydrophobicContact CB-CG 4.25Å; F22-Q25 WeakPolarHBondContact O-CB 3.2Å; F22-Q25 PolarHBondContact O-N 2.98Å; C23-Q25 PolarHBondContact O-N 3.49Å
26E87.9Confident89.7Confident120 Ų12062.1 Ų62.156%0.56135%0.347SS*.THydrogen-bonded Turntrans-119.7-30.5-178.7-63.1178.6174.600112.4S21 C23 K28S21-E26 WeakPolarHBondContact CB-OE1 3.49Å; S21-E26 PolarHBondContact OG-OE1 3.04Å; C23-E26 PolarHBondContact O-N 3.47Å; C23-E26 VanDerWaalsContact O-N 3.11Å; E26-K28 PolarHBondContact O-N 3.33Å; E26-K28 VanDerWaalsContact O-N 3.09Å
27D92.2Very high89.9Confident50 Ų5060 Ų6027%0.26733%0.333SS..  trans-64.5110.2-178.8174.650.5000110.9C23 N29 T30 L31 K191C23-D27 VanDerWaalsContact O-CB 3.24Å; C23-D27 WeakPolarHBondContact O-CB 3.43Å; C23-D27 PolarHBondContact O-N 3.35Å; D27-N29 PolarHBondContact O-N 2.85Å; D27-N29 VanDerWaalsContact O-N 3.09Å; D27-T30 WeakPolarHBondContact O-CA 3.39Å; D27-T30 PolarHBondContact O-N 3.28Å; D27-T30 WeakPolarHBondContact OD2-CB 3.48Å; D27-T30 PolarHBondContact OD2-N 3.28Å; D27-T30 PolarHBondContact OD2-OG1 2.95Å; D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 2.92Å; D27-K191 IonicContact OD2-NZ 3.17Å; D27-K191 PolarHBondContact OD2-NZ 3.27Å
28K92.8Very high90.1Very high152 Ų15257.3 Ų57.366%0.66132%0.319SS*.Hα-helixtrans-52-37.6-177.4-172.6177.9-179.7179.10113.4E26 T32 L263E26-K28 PolarHBondContact O-N 3.33Å; E26-K28 VanDerWaalsContact O-N 3.09Å; K28-T32 WeakPolarHBondContact O-CB 3.11Å; K28-T32 PolarHBondContact O-N 2.87Å; K28-T32 PolarHBondContact O-OG1 3.26Å; K28-L263 HydrophobicContact CG-CD1 4.48Å
29N93.8Very high90.9Very high113 Ų11351.3 Ų51.360%0.60428%0.28SS*.Hα-helixtrans-66.3-46.6178.1-68.1-31.2000111D27 T32 L33D27-N29 PolarHBondContact O-N 2.85Å; D27-N29 VanDerWaalsContact O-N 3.09Å; N29-T32 PolarHBondContact O-N 2.73Å; N29-L33 PolarHBondContact O-N 2.99Å; N29-L33 VanDerWaalsContact O-N 3.11Å
30T93.8Very high91.7Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-63.6-43.4175.8-56.30000111.3F24 D27 T32 L33 L34 T188 K191F24-T30 HydrophobicContact CB-CG2 3.98Å; F24-T30 WeakPolarHBondContact O-CG2 3.06Å; D27-T30 WeakPolarHBondContact O-CA 3.39Å; D27-T30 PolarHBondContact O-N 3.28Å; D27-T30 WeakPolarHBondContact OD2-CB 3.48Å; D27-T30 PolarHBondContact OD2-N 3.28Å; D27-T30 PolarHBondContact OD2-OG1 2.95Å; T30-T32 VanDerWaalsContact C-N 3.3Å; T30-T32 PolarHBondContact O-N 2.91Å; T30-L33 PolarHBondContact O-N 3.06Å; T30-L34 HydrophobicContact CG2-CD1 4.12Å; T30-L34 HydrophobicContact CG2-CG 4.28Å; T30-L34 WeakPolarHBondContact O-CG 3.15Å; T30-L34 PolarHBondContact O-N 2.84Å; T30-T188 HydrophobicContact CG2-CG2 3.86Å; T30-K191 WeakPolarHBondContact OG1-CD 3.37Å; T30-K191 PolarHBondContact OG1-NZ 2.76Å
31L94.6Very high92.1Very high32 Ų3245.9 Ų45.917%0.16825%0.251CS..Hα-helixtrans-62.2-37.2176.8-65.3176000112.5D27 L34 M35 L40 L263D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 2.92Å; L31-L34 PolarHBondContact O-N 3.47Å; L31-M35 WeakPolarHBondContact O-CB 3.39Å; L31-M35 PolarHBondContact O-N 2.93Å; L31-L40 HydrophobicContact CB-CD1 4.44Å; L31-L40 HydrophobicContact CD2-CD1 3.69Å; L31-L263 HydrophobicContact CB-CD2 3.52Å
32T95.8Very high92.5Very high56 Ų5644.7 Ų44.734%0.34424%0.235SC..Hα-helixtrans-64.1-42.1175.1-56.70000111.2K28 N29 T30 M35 K36K28-T32 WeakPolarHBondContact O-CB 3.11Å; K28-T32 PolarHBondContact O-N 2.87Å; K28-T32 PolarHBondContact O-OG1 3.26Å; N29-T32 PolarHBondContact O-N 2.73Å; T30-T32 VanDerWaalsContact C-N 3.3Å; T30-T32 PolarHBondContact O-N 2.91Å; T32-M35 WeakPolarHBondContact O-CB 3.37Å; T32-M35 PolarHBondContact O-N 3.35Å; T32-K36 WeakPolarHBondContact O-CB 3.42Å; T32-K36 PolarHBondContact O-N 3.49Å
33L96.7Very high92.7Very high36 Ų3645.1 Ų45.119%0.18824%0.238CC..Hα-helixtrans-65.9-45174.6-69.7174.1000111.6N29 T30 M35 K36 W37 P184 T188N29-L33 PolarHBondContact O-N 2.99Å; N29-L33 VanDerWaalsContact O-N 3.11Å; T30-L33 PolarHBondContact O-N 3.06Å; L33-M35 VanDerWaalsContact C-N 3.25Å; L33-M35 PolarHBondContact O-N 2.97Å; L33-K36 CarbonylContact O-C 3.49Å; L33-K36 WeakPolarHBondContact O-CB 3.46Å; L33-K36 PolarHBondContact O-N 2.99Å; L33-K36 VanDerWaalsContact O-N 3.12Å; L33-W37 HydrophobicContact CB-CD2 4.41Å; L33-W37 HydrophobicContact CB-CE3 4.38Å; L33-W37 HydrophobicContact CB-CH2 3.95Å; L33-W37 HydrophobicContact CB-CZ2 3.96Å; L33-W37 HydrophobicContact CB-CZ3 4.16Å; L33-W37 HydrophobicContact CD1-CH2 4.09Å; L33-W37 HydrophobicContact CD1-CZ2 4.25Å; L33-W37 HydrophobicContact CD2-CZ2 3.95Å; L33-W37 HydrophobicContact CG-CH2 4.43Å; L33-W37 HydrophobicContact CG-CZ2 4.28Å; L33-W37 PolarHBondContact O-N 3.33Å; L33-P184 HydrophobicContact CD1-CB 4.25Å; L33-P184 HydrophobicContact CD2-CB 4.25Å; L33-T188 WeakPolarHBondContact CD1-OG1 3.48Å
34L95.7Very high92.9Very high5 Ų542.1 Ų42.13%0.02622%0.218CC..Hα-helixtrans-62.2-33.8175.9-67.2177.1000112.1T30 L31 W37 S38 M39 L40 L43 L169T30-L34 HydrophobicContact CG2-CD1 4.12Å; T30-L34 HydrophobicContact CG2-CG 4.28Å; T30-L34 WeakPolarHBondContact O-CG 3.15Å; T30-L34 PolarHBondContact O-N 2.84Å; L31-L34 PolarHBondContact O-N 3.47Å; L34-W37 HydrophobicContact CD2-CE3 4.33Å; L34-S38 PolarHBondContact O-N 2.82Å; L34-M39 HydrophobicContact CB-CB 4.46Å; L34-M39 HydrophobicContact CD2-CB 4.05Å; L34-M39 HydrophobicContact CD2-SD 4.27Å; L34-M39 PolarHBondContact O-N 3.5Å; L34-L40 HydrophobicContact CB-CB 4.34Å; L34-L40 PolarHBondContact O-N 3.15Å; L34-L43 HydrophobicContact CD1-CD2 4.19Å; L34-L43 HydrophobicContact CD2-CD2 3.73Å; L34-L169 HydrophobicContact CD2-CD2 4.2Å
35M95.1Very high93.2Very high51 Ų5142.4 Ų42.425%0.25122%0.22SC..Hα-helixtrans-64.4-50171.9-172.8-177.571.700110.4L31 T32 L33 W37 S38 L40 K260 L263L31-M35 WeakPolarHBondContact O-CB 3.39Å; L31-M35 PolarHBondContact O-N 2.93Å; T32-M35 WeakPolarHBondContact O-CB 3.37Å; T32-M35 PolarHBondContact O-N 3.35Å; L33-M35 VanDerWaalsContact C-N 3.25Å; L33-M35 PolarHBondContact O-N 2.97Å; M35-W37 VanDerWaalsContact C-N 3.29Å; M35-W37 PolarHBondContact O-N 2.95Å; M35-S38 PolarHBondContact O-N 3.11Å; M35-L40 HydrophobicContact CB-CB 4.24Å; M35-L40 HydrophobicContact CB-CD2 3.91Å; M35-L40 HydrophobicContact CG-CD2 4.16Å; M35-K260 WeakPolarHBondContact CG-O 3.5Å; M35-L263 HydrophobicContact SD-CG 4.2Å
36K95.9Very high93.4Very high61 Ų6140.6 Ų40.627%0.26521%0.212SC..Hα-helixtrans-57.9-40.7177.8-176.2176.7169.5-166.10111.9T32 L33 S38 Q177 Y178 E179T32-K36 WeakPolarHBondContact O-CB 3.42Å; T32-K36 PolarHBondContact O-N 3.49Å; L33-K36 CarbonylContact O-C 3.49Å; L33-K36 WeakPolarHBondContact O-CB 3.46Å; L33-K36 PolarHBondContact O-N 2.99Å; L33-K36 VanDerWaalsContact O-N 3.12Å; K36-S38 PolarHBondContact O-N 3.31Å; K36-Q177 HydrophobicContact CD-CB 4.38Å; K36-Q177 VanDerWaalsContact CE-O 3.26Å; K36-Q177 WeakPolarHBondContact CE-O 3.46Å; K36-Q177 HydrophobicContact CG-CB 3.6Å; K36-Q177 HydrophobicContact CG-CG 4.45Å; K36-Q177 WeakPolarHBondContact O-CB 3.37Å; K36-Q177 PolarHBondContact O-N 2.97Å; K36-Y178 PolarHBondContact NZ-O 3.11Å; K36-E179 VanDerWaalsContact CD-OE1 3.24Å; K36-E179 WeakPolarHBondContact CD-OE1 3.2Å; K36-E179 WeakPolarHBondContact CE-OE1 3.37Å; K36-E179 IonicContact NZ-OE1 2.74Å; K36-E179 PolarHBondContact NZ-OE1 2.91Å; K36-E179 IonicContact NZ-OE2 2.73Å; K36-E179 PolarHBondContact NZ-OE2 2.95Å
37W96.5Very high93.8Very high0 Ų035.1 Ų35.10%019%0.186CC..THydrogen-bonded Turntrans-82.86.7177.5-53.3-25.2000113.4L33 L34 M35 M39 L169 G172 G173 E179 P184 Y185 T188L33-W37 HydrophobicContact CB-CD2 4.41Å; L33-W37 HydrophobicContact CB-CE3 4.38Å; L33-W37 HydrophobicContact CB-CH2 3.95Å; L33-W37 HydrophobicContact CB-CZ2 3.96Å; L33-W37 HydrophobicContact CB-CZ3 4.16Å; L33-W37 HydrophobicContact CD1-CH2 4.09Å; L33-W37 HydrophobicContact CD1-CZ2 4.25Å; L33-W37 HydrophobicContact CD2-CZ2 3.95Å; L33-W37 HydrophobicContact CG-CH2 4.43Å; L33-W37 HydrophobicContact CG-CZ2 4.28Å; L33-W37 PolarHBondContact O-N 3.33Å; L34-W37 HydrophobicContact CD2-CE3 4.33Å; M35-W37 VanDerWaalsContact C-N 3.29Å; M35-W37 PolarHBondContact O-N 2.95Å; W37-M39 HydrophobicContact CB-CG 4.19Å; W37-M39 HydrophobicContact CB-SD 4.46Å; W37-M39 PolarHBondContact O-N 3.18Å; W37-L169 HydrophobicContact CE3-CB 4.36Å; W37-L169 HydrophobicContact CE3-CD2 4.32Å; W37-L169 HydrophobicContact CZ3-CB 4.07Å; W37-L169 HydrophobicContact CZ3-CD1 4.36Å; W37-L169 HydrophobicContact CZ3-CD2 4.14Å; W37-L169 HydrophobicContact CZ3-CG 4.42Å; W37-G172 CarbonylContact O-C 3.5Å; W37-G173 PolarHBondContact O-N 3.48Å; W37-E179 HydrophobicContact CZ2-CG 4.1Å; W37-E179 PolarHBondContact NE1-OE1 3.01Å; W37-E179 VanDerWaalsContact NE1-OE1 3.14Å; W37-P184 HydrophobicContact CZ2-CB 4.13Å; W37-Y185 HydrophobicContact CD2-CD1 4.5Å; W37-Y185 HydrophobicContact CD2-CE1 4.02Å; W37-Y185 AromaticContact CE2-CD1 3.97Å; W37-Y185 AromaticContact CE2-CE1 3.49Å; W37-Y185 VanDerWaalsContact CE2-CE1 3.49Å; W37-Y185 AromaticContact CH2-CD1 3.68Å; W37-Y185 HydrophobicContact CH2-CD1 3.68Å; W37-Y185 HydrophobicContact CH2-CE1 4.09Å; W37-Y185 AromaticContact CZ2-CD1 3.54Å; W37-Y185 HydrophobicContact CZ2-CD1 3.54Å; W37-Y185 AromaticContact CZ2-CE1 3.53Å; W37-Y185 HydrophobicContact CZ2-CE1 3.53Å; W37-Y185 HydrophobicContact CZ2-CG 4.4Å; W37-Y185 HydrophobicContact CZ3-CD1 4.23Å; W37-Y185 AromaticContact NE1-CE1 3.78Å; W37-T188 HydrophobicContact CH2-CG2 4.26Å; W37-T188 HydrophobicContact CZ3-CG2 3.89Å
38S95.1Very high93.9Very high0 Ų032.7 Ų32.70%017%0.174CC..THydrogen-bonded Turntrans59.626.4-180-151.20000114.7L34 M35 K36 L175 G259L34-S38 PolarHBondContact O-N 2.82Å; M35-S38 PolarHBondContact O-N 3.11Å; K36-S38 PolarHBondContact O-N 3.31Å; S38-L175 PolarHBondContact OG-N 3.24Å; S38-G259 WeakPolarHBondContact O-CA 3.27Å; S38-G259 PolarHBondContact O-N 3.43Å; S38-G259 PolarHBondContact OG-N 3.47Å
39M94.6Very high94Very high0 Ų027.1 Ų27.10%015%0.154CC..  trans-101.8-16.5178.7-59.7-173.582.900113L34 W37 G41 R42 L43 L169 F237 H254L34-M39 HydrophobicContact CB-CB 4.46Å; L34-M39 HydrophobicContact CD2-CB 4.05Å; L34-M39 HydrophobicContact CD2-SD 4.27Å; L34-M39 PolarHBondContact O-N 3.5Å; W37-M39 HydrophobicContact CB-CG 4.19Å; W37-M39 HydrophobicContact CB-SD 4.46Å; W37-M39 PolarHBondContact O-N 3.18Å; M39-G41 PolarHBondContact O-N 3Å; M39-R42 PolarHBondContact O-N 3.35Å; M39-L43 HydrophobicContact CB-CB 4.25Å; M39-L43 HydrophobicContact CE-CB 4.43Å; M39-L43 HydrophobicContact CE-CD1 4.35Å; M39-L43 HydrophobicContact CE-CD2 4.32Å; M39-L43 PolarHBondContact O-N 3.19Å; M39-L169 HydrophobicContact CE-CD2 4.32Å; M39-L169 HydrophobicContact SD-CD2 3.91Å; M39-F237 HydrophobicContact CE-CE1 4.5Å; M39-H254 HydrophobicContact CE-CB 4.42Å
40L93.6Very high94.1Very high20 Ų2022.2 Ų22.211%0.10513%0.127CC..THydrogen-bonded Turntrans-58.4128.5-179.1-177.167.1000111.2L31 L34 M35 R42 G259 K260 L263L31-L40 HydrophobicContact CB-CD1 4.44Å; L31-L40 HydrophobicContact CD2-CD1 3.69Å; L34-L40 HydrophobicContact CB-CB 4.34Å; L34-L40 PolarHBondContact O-N 3.15Å; M35-L40 HydrophobicContact CB-CB 4.24Å; M35-L40 HydrophobicContact CB-CD2 3.91Å; M35-L40 HydrophobicContact CG-CD2 4.16Å; L40-R42 PolarHBondContact O-N 2.86Å; L40-G259 CarbonylContact O-C 3.56Å; L40-G259 VanDerWaalsContact O-CA 3.24Å; L40-G259 WeakPolarHBondContact O-CA 3.35Å; L40-K260 HydrophobicContact CB-CB 4.48Å; L40-K260 HydrophobicContact CD2-CB 4.01Å; L40-K260 HydrophobicContact CG-CB 4.08Å; L40-K260 PolarHBondContact O-N 3.36Å; L40-L263 HydrophobicContact CD2-CD2 3.82Å
41G88.8Confident93.9Very high44 Ų4425.9 Ų25.945%0.45415%0.147SC..THydrogen-bonded Turntrans74.6-2.3-176.900000115.1M39M39-G41 PolarHBondContact O-N 3Å
42R91.1Very high93.4Very high46 Ų4626.3 Ų26.317%0.17415%0.152CC..THydrogen-bonded Turntrans-114.6-28.5173.4-57.4-172.310089.17.3112.7M39 L40 V83 H254 I255 V258M39-R42 PolarHBondContact O-N 3.35Å; L40-R42 PolarHBondContact O-N 2.86Å; R42-V83 HydrophobicContact CG-CG2 4.2Å; R42-H254 WeakPolarHBondContact O-CA 3.43Å; R42-I255 WeakPolarHBondContact CD-O 3.35Å; R42-I255 PolarHBondContact NE-O 3.36Å; R42-V258 PolarHBondContact NH1-O 3.18Å
43L92.9Very high92.9Very high14 Ų1428.1 Ų28.17%0.07316%0.16CC..EExtended strand (participates in β ladder)trans-84.9121.2167.1-179.568.6000108.8F24 L34 M39 I192 F237 L252 F253 H254F24-L43 HydrophobicContact CE2-CD2 4.46Å; L34-L43 HydrophobicContact CD1-CD2 4.19Å; L34-L43 HydrophobicContact CD2-CD2 3.73Å; M39-L43 HydrophobicContact CB-CB 4.25Å; M39-L43 HydrophobicContact CE-CB 4.43Å; M39-L43 HydrophobicContact CE-CD1 4.35Å; M39-L43 HydrophobicContact CE-CD2 4.32Å; M39-L43 PolarHBondContact O-N 3.19Å; L43-I192 HydrophobicContact CD2-CD1 4.35Å; L43-F237 HydrophobicContact CD1-CE2 4.26Å; L43-F237 HydrophobicContact CD1-CZ 3.84Å; L43-L252 HydrophobicContact CD1-CD1 4Å; L43-F253 CarbonylContact C-O 3.46Å; L43-F253 WeakPolarHBondContact CA-O 3.43Å; L43-H254 HydrophobicContact CD1-CB 3.98Å
44S91Very high92.4Very high16 Ų1627.1 Ų27.111%0.11215%0.154CC..EExtended strand (participates in β ladder)trans-140.6148.4-179.6-165.40000112.5M79 L252 F253S44-M79 WeakPolarHBondContact OG-CE 3.16Å; S44-L252 CarbonylContact O-C 3.6Å; S44-L252 WeakPolarHBondContact O-CA 3.26Å; S44-F253 PolarHBondContact N-O 2.84Å; S44-F253 PolarHBondContact O-N 3.39Å
45A92.9Very high91.9Very high7 Ų729.8 Ų29.86%0.05817%0.166CC..EExtended strand (participates in β ladder)trans-125.7133.316900000110.4F22 F24 L196 T250 L251 L252F22-A45 HydrophobicContact CD2-CB 3.72Å; F22-A45 HydrophobicContact CE1-CB 4.44Å; F22-A45 HydrophobicContact CE2-CB 3.49Å; F22-A45 VanDerWaalsContact CE2-CB 3.49Å; F22-A45 HydrophobicContact CG-CB 4.27Å; F22-A45 HydrophobicContact CZ-CB 3.88Å; F24-A45 HydrophobicContact CE1-CB 4.36Å; F24-A45 HydrophobicContact CZ-CB 3.73Å; A45-L196 HydrophobicContact CB-CD2 4.33Å; A45-T250 HydrophobicContact CB-CG2 4.12Å; A45-L251 CarbonylContact C-O 3.59Å; A45-L251 VanDerWaalsContact CA-O 3.24Å; A45-L251 WeakPolarHBondContact CA-O 3.24Å; A45-L252 HydrophobicContact CB-CD1 4.09Å
46Q91.7Very high91.2Very high29 Ų2931.2 Ų31.214%0.13618%0.179CC..EExtended strand (participates in β ladder)trans-130139174.1-66.8-174.956.600109.4Y48 S75 M79 T250 L251Q46-Y48 HydrophobicContact CB-CE2 3.71Å; Q46-Y48 PolarHBondContact OE1-OH 2.8Å; Q46-S75 PolarHBondContact OE1-OG 3.13Å; Q46-M79 HydrophobicContact CG-CE 4.19Å; Q46-T250 CarbonylContact O-C 3.6Å; Q46-T250 VanDerWaalsContact O-CA 3.24Å; Q46-T250 WeakPolarHBondContact O-CA 3.5Å; Q46-L251 PolarHBondContact N-O 2.96Å; Q46-L251 PolarHBondContact O-N 3.12Å
47T94.8Very high90.7Very high5 Ų536.7 Ų36.73%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-108.6142176.7-53.90000111L17 K20 F22 N248 V249 T250L17-T47 HydrophobicContact CD1-CG2 4.05Å; L17-T47 PolarHBondContact N-O 2.87Å; K20-T47 HydrophobicContact CD-CG2 3.82Å; K20-T47 PolarHBondContact NZ-OG1 3.27Å; F22-T47 VanDerWaalsContact CZ-OG1 3.27Å; F22-T47 WeakPolarHBondContact CZ-OG1 3.27Å; T47-N248 HydrophobicContact CG2-CB 3.89Å; T47-V249 CarbonylContact C-O 3.48Å; T47-V249 WeakPolarHBondContact CA-O 3.44Å; T47-T250 PolarHBondContact OG1-OG1 3.5Å
48Y95.4Very high90.2Very high0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-128.6140.9173.9-52.7-99.4000108.7S15 P16 Q46 F66 V72 S75 N248 V249 L251S15-Y48 CarbonylContact O-C 3.52Å; S15-Y48 WeakPolarHBondContact O-CA 3.45Å; P16-Y48 HydrophobicContact CB-CD1 3.91Å; P16-Y48 HydrophobicContact CB-CE1 3.87Å; Q46-Y48 HydrophobicContact CB-CE2 3.71Å; Q46-Y48 PolarHBondContact OE1-OH 2.8Å; Y48-F66 AromaticContact CD2-CE2 3.54Å; Y48-F66 HydrophobicContact CD2-CE2 3.54Å; Y48-F66 AromaticContact CD2-CZ 3.65Å; Y48-F66 HydrophobicContact CD2-CZ 3.65Å; Y48-F66 AromaticContact CE2-CE2 4Å; Y48-F66 HydrophobicContact CE2-CE2 4Å; Y48-F66 AromaticContact CE2-CZ 3.61Å; Y48-F66 HydrophobicContact CE2-CZ 3.61Å; Y48-F66 AromaticContact CG-CE2 3.89Å; Y48-F66 HydrophobicContact CG-CE2 3.89Å; Y48-F66 HydrophobicContact CG-CZ 4.35Å; Y48-V72 HydrophobicContact CD1-CG2 3.91Å; Y48-V72 HydrophobicContact CE1-CB 4.38Å; Y48-V72 HydrophobicContact CE1-CG2 3.97Å; Y48-V72 HydrophobicContact CG-CG2 4.44Å; Y48-S75 WeakPolarHBondContact OH-CB 3.38Å; Y48-S75 PolarHBondContact OH-OG 3.27Å; Y48-N248 CarbonylContact O-C 3.59Å; Y48-N248 VanDerWaalsContact O-CA 3.28Å; Y48-N248 WeakPolarHBondContact O-CA 3.48Å; Y48-V249 PolarHBondContact N-O 2.74Å; Y48-V249 PolarHBondContact O-N 2.73Å; Y48-L251 HydrophobicContact CE2-CB 4.38Å
49S95.3Very high90Very high35 Ų3539.9 Ų39.925%0.24521%0.214CC..EExtended strand (participates in β ladder)trans-82.9155.4164.254.40000110F14 S15 R247F14-S49 WeakPolarHBondContact CA-O 3.45Å; S15-S49 PolarHBondContact N-O 3.22Å; S15-S49 PolarHBondContact O-N 3.37Å; S15-S49 PolarHBondContact O-OG 2.73Å; S49-R247 WeakPolarHBondContact CA-O 3.31Å
50F94.6Very high89.9Confident9 Ų945.2 Ų45.24%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-132152.2172.659.4-100.1000111.5S13 F14 S52 F54 F62 V242 R247 N248 V249S13-F50 WeakPolarHBondContact O-CA 3.37Å; F14-F50 HydrophobicContact CD1-CB 3.87Å; F14-F50 HydrophobicContact CE1-CB 3.8Å; F50-S52 WeakPolarHBondContact CD2-O 3.29Å; F50-S52 WeakPolarHBondContact CE2-O 3.38Å; F50-F54 HydrophobicContact CE2-CB 3.96Å; F50-F54 HydrophobicContact CZ-CB 3.91Å; F50-F62 HydrophobicContact CD1-CE2 4.08Å; F50-F62 AromaticContact CD1-CZ 3.94Å; F50-F62 HydrophobicContact CD1-CZ 3.94Å; F50-F62 HydrophobicContact CD2-CE2 4.42Å; F50-F62 HydrophobicContact CE1-CE2 4.35Å; F50-F62 HydrophobicContact CE1-CZ 4.14Å; F50-F62 HydrophobicContact CG-CE2 4.1Å; F50-F62 HydrophobicContact CG-CZ 4.4Å; F50-V242 HydrophobicContact CE1-CG1 3.86Å; F50-V242 HydrophobicContact CZ-CG1 3.97Å; F50-R247 WeakPolarHBondContact CD1-O 3.35Å; F50-R247 HydrophobicContact CD2-CB 4.26Å; F50-R247 HydrophobicContact CE2-CB 3.98Å; F50-R247 HydrophobicContact CE2-CG 4.18Å; F50-R247 HydrophobicContact CZ-CB 4.19Å; F50-R247 PolarHBondContact N-O 2.71Å; F50-N248 VanDerWaalsContact CE1-C 3.5Å; F50-V249 HydrophobicContact CD1-CB 4.34Å; F50-V249 HydrophobicContact CD1-CG1 4.29Å; F50-V249 HydrophobicContact CE1-CB 4.48Å
51D89.1Confident89.8Confident78 Ų7847.6 Ų47.642%0.41725%0.254SS..SBendtrans-85.2-36.7-169.956.4-3.1000114.2S13S13-D51 VanDerWaalsContact CB-OD2 3.27Å; S13-D51 WeakPolarHBondContact CB-OD2 3.22Å; S13-D51 PolarHBondContact N-OD1 3.43Å; S13-D51 PolarHBondContact OG-OD2 3.03Å
52S85.4Confident90Very high40 Ų4045.5 Ų45.528%0.2823%0.232SC..SBendtrans-98.3156.9-170.3-65.10000113.5F50 F54F50-S52 WeakPolarHBondContact CD2-O 3.29Å; F50-S52 WeakPolarHBondContact CE2-O 3.38Å; S52-F54 PolarHBondContact O-N 3.02Å
53N84.8Confident90.2Very high94 Ų9443.3 Ų43.350%0.50322%0.224SC..PPolyproline II helixtrans-67.7124.3177.3-71.5-26.6000110.7H55 R247N53-H55 PolarHBondContact O-ND1 2.78Å; N53-R247 PolarHBondContact OD1-NH2 3.36Å
54F86.8Confident90.3Very high15 Ų1545 Ų457%0.06623%0.233CC..PPolyproline II helixtrans-77.3127.4172.8175.7-101.6000110.4F50 S52 F62 T213 V242 P244F50-F54 HydrophobicContact CE2-CB 3.96Å; F50-F54 HydrophobicContact CZ-CB 3.91Å; S52-F54 PolarHBondContact O-N 3.02Å; F54-F62 HydrophobicContact CD2-CB 4.16Å; F54-F62 HydrophobicContact CD2-CD1 4.18Å; F54-F62 AromaticContact CD2-CD2 3.65Å; F54-F62 HydrophobicContact CD2-CD2 3.65Å; F54-F62 AromaticContact CD2-CE2 4Å; F54-F62 HydrophobicContact CD2-CE2 4Å; F54-F62 AromaticContact CD2-CG 3.73Å; F54-F62 HydrophobicContact CD2-CG 3.73Å; F54-F62 HydrophobicContact CD2-CZ 4.41Å; F54-F62 HydrophobicContact CE2-CB 3.98Å; F54-F62 AromaticContact CE2-CD1 3.99Å; F54-F62 HydrophobicContact CE2-CD1 3.99Å; F54-F62 HydrophobicContact CE2-CD2 4.21Å; F54-F62 AromaticContact CE2-CG 3.79Å; F54-F62 HydrophobicContact CE2-CG 3.79Å; F54-T213 HydrophobicContact CE1-CG2 4.15Å; F54-T213 HydrophobicContact CZ-CG2 4.19Å; F54-V242 HydrophobicContact CB-CG1 4.11Å; F54-V242 HydrophobicContact CD1-CB 4.42Å; F54-V242 HydrophobicContact CD1-CG1 3.68Å; F54-V242 HydrophobicContact CD2-CG1 3.91Å; F54-V242 HydrophobicContact CE1-CB 4.27Å; F54-V242 HydrophobicContact CE1-CG1 4.01Å; F54-V242 HydrophobicContact CE2-CG1 4.22Å; F54-V242 HydrophobicContact CE2-CG2 4.27Å; F54-V242 HydrophobicContact CG-CG1 3.62Å; F54-V242 HydrophobicContact CZ-CB 4.35Å; F54-V242 HydrophobicContact CZ-CG1 4.27Å; F54-V242 HydrophobicContact CZ-CG2 4.3Å; F54-P244 HydrophobicContact CD1-CB 4.48Å
55H85Confident90.4Very high62 Ų6245.6 Ų45.629%0.28724%0.237SC..  trans-112.9132.9171.6-60.286.2000109.4N53 Y57 S58N53-H55 PolarHBondContact O-ND1 2.78Å; H55-Y57 HydrophobicContact CB-CD1 3.91Å; H55-Y57 HydrophobicContact CB-CE1 3.4Å; H55-Y57 VanDerWaalsContact CB-CE1 3.4Å; H55-Y57 HydrophobicContact CB-CE2 4.11Å; H55-Y57 HydrophobicContact CB-CG 4.46Å; H55-Y57 VanDerWaalsContact CB-CZ 3.49Å; H55-Y57 AromaticContact CG-CE1 3.89Å; H55-Y57 AromaticContact CG-CZ 3.8Å; H55-Y57 PolarHBondContact O-N 2.85Å; H55-Y57 VanDerWaalsContact O-N 3.15Å; H55-S58 PolarHBondContact O-N 2.9Å; H55-S58 PolarHBondContact O-OG 2.84Å
56P80.6Confident90.5Very high81 Ų8145.3 Ų45.353%0.52623%0.234SC..G310 helixtrans-56.2-35.1-176.9-29.235.8000113.9S58 Y59P56-S58 PolarHBondContact O-N 3.4Å; P56-Y59 WeakPolarHBondContact O-CD1 3.21Å; P56-Y59 PolarHBondContact O-N 2.87Å
57Y84.4Confident90.5Very high175 Ų17543.9 Ų43.969%0.68623%0.228SC*.G310 helixtrans-70.3-16.3-179.259.9-100000114.3H55H55-Y57 HydrophobicContact CB-CD1 3.91Å; H55-Y57 HydrophobicContact CB-CE1 3.4Å; H55-Y57 VanDerWaalsContact CB-CE1 3.4Å; H55-Y57 HydrophobicContact CB-CE2 4.11Å; H55-Y57 HydrophobicContact CB-CG 4.46Å; H55-Y57 VanDerWaalsContact CB-CZ 3.49Å; H55-Y57 AromaticContact CG-CE1 3.89Å; H55-Y57 AromaticContact CG-CZ 3.8Å; H55-Y57 PolarHBondContact O-N 2.85Å; H55-Y57 VanDerWaalsContact O-N 3.15Å
58S86.3Confident90.4Very high11 Ų1148.8 Ų48.88%0.07725%0.248CC..G310 helixtrans-102.424.3-179.366.70000112.3H55 P56 E60 T61 F62H55-S58 PolarHBondContact O-N 2.9Å; H55-S58 PolarHBondContact O-OG 2.84Å; P56-S58 PolarHBondContact O-N 3.4Å; S58-E60 PolarHBondContact O-N 3.32Å; S58-T61 PolarHBondContact O-N 2.75Å; S58-F62 WeakPolarHBondContact O-CB 3.2Å; S58-F62 PolarHBondContact O-N 3.01Å
59Y91.1Very high90.2Very high56 Ų5649.6 Ų49.622%0.2225%0.253CS..Hα-helixtrans-60.9-32.8-175.566.8-111.7000112.9P56 F62 A63 T96 L215P56-Y59 WeakPolarHBondContact O-CD1 3.21Å; P56-Y59 PolarHBondContact O-N 2.87Å; Y59-F62 PolarHBondContact O-N 3.35Å; Y59-A63 WeakPolarHBondContact O-CB 3.24Å; Y59-A63 PolarHBondContact O-N 3.42Å; Y59-T96 WeakPolarHBondContact CD2-OG1 3.46Å; Y59-T96 WeakPolarHBondContact CE2-OG1 3.28Å; Y59-L215 HydrophobicContact CD1-CD2 4.43Å; Y59-L215 HydrophobicContact CD2-CD2 4.05Å; Y59-L215 HydrophobicContact CG-CD2 3.82Å
60E91.6Very high89.9Confident113 Ų11352.4 Ų52.453%0.52827%0.271SS..Hα-helixtrans-66.5-49.9179.3-56-166.8163.700111S58 F62 A63 L64 T96S58-E60 PolarHBondContact O-N 3.32Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.5Å; E60-A63 PolarHBondContact O-N 3.09Å; E60-L64 WeakPolarHBondContact O-CB 3.44Å; E60-L64 PolarHBondContact O-N 2.73Å; E60-T96 WeakPolarHBondContact CG-OG1 3.4Å
61T92.1Very high89.7Confident69 Ų6957.2 Ų57.242%0.42329%0.293SS..Hα-helixtrans-61.5-43.2176.2-49.60000110.9S58 A63 L64 C65S58-T61 PolarHBondContact O-N 2.75Å; T61-A63 PolarHBondContact O-N 3.29Å; T61-L64 PolarHBondContact O-N 2.9Å; T61-C65 PolarHBondContact O-N 2.88Å; T61-C65 PolarHBondContact O-SG 2.79Å; T61-C65 VanDerWaalsContact O-SG 3.33Å
62F94.1Very high89.7Confident0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-58.6-47.9177.1179.5-92.1000111.9F12 F14 F50 F54 S58 Y59 E60 L64 C65 F66 V242 V249F12-F62 AromaticContact CD1-CD2 3.64Å; F12-F62 HydrophobicContact CD1-CD2 3.64Å; F12-F62 AromaticContact CD1-CE2 3.81Å; F12-F62 HydrophobicContact CD1-CE2 3.81Å; F12-F62 AromaticContact CD2-CD2 3.97Å; F12-F62 HydrophobicContact CD2-CD2 3.97Å; F12-F62 AromaticContact CE1-CD2 3.65Å; F12-F62 HydrophobicContact CE1-CD2 3.65Å; F12-F62 HydrophobicContact CE1-CE2 4.03Å; F12-F62 HydrophobicContact CE2-CB 4.28Å; F12-F62 AromaticContact CE2-CD2 3.98Å; F12-F62 HydrophobicContact CE2-CD2 3.98Å; F12-F62 AromaticContact CG-CD2 3.81Å; F12-F62 HydrophobicContact CG-CD2 3.81Å; F12-F62 HydrophobicContact CG-CE2 4.24Å; F12-F62 AromaticContact CZ-CD2 3.83Å; F12-F62 HydrophobicContact CZ-CD2 3.83Å; F14-F62 HydrophobicContact CE1-CE1 4.29Å; F14-F62 AromaticContact CE1-CE2 3.71Å; F14-F62 HydrophobicContact CE1-CE2 3.71Å; F14-F62 AromaticContact CE1-CZ 3.57Å; F14-F62 HydrophobicContact CE1-CZ 3.57Å; F14-F62 HydrophobicContact CZ-CD2 4.19Å; F14-F62 HydrophobicContact CZ-CE1 4.45Å; F14-F62 AromaticContact CZ-CE2 3.79Å; F14-F62 HydrophobicContact CZ-CE2 3.79Å; F14-F62 AromaticContact CZ-CZ 3.95Å; F14-F62 HydrophobicContact CZ-CZ 3.95Å; F50-F62 HydrophobicContact CD1-CE2 4.08Å; F50-F62 AromaticContact CD1-CZ 3.94Å; F50-F62 HydrophobicContact CD1-CZ 3.94Å; F50-F62 HydrophobicContact CD2-CE2 4.42Å; F50-F62 HydrophobicContact CE1-CE2 4.35Å; F50-F62 HydrophobicContact CE1-CZ 4.14Å; F50-F62 HydrophobicContact CG-CE2 4.1Å; F50-F62 HydrophobicContact CG-CZ 4.4Å; F54-F62 HydrophobicContact CD2-CB 4.16Å; F54-F62 HydrophobicContact CD2-CD1 4.18Å; F54-F62 AromaticContact CD2-CD2 3.65Å; F54-F62 HydrophobicContact CD2-CD2 3.65Å; F54-F62 AromaticContact CD2-CE2 4Å; F54-F62 HydrophobicContact CD2-CE2 4Å; F54-F62 AromaticContact CD2-CG 3.73Å; F54-F62 HydrophobicContact CD2-CG 3.73Å; F54-F62 HydrophobicContact CD2-CZ 4.41Å; F54-F62 HydrophobicContact CE2-CB 3.98Å; F54-F62 AromaticContact CE2-CD1 3.99Å; F54-F62 HydrophobicContact CE2-CD1 3.99Å; F54-F62 HydrophobicContact CE2-CD2 4.21Å; F54-F62 AromaticContact CE2-CG 3.79Å; F54-F62 HydrophobicContact CE2-CG 3.79Å; S58-F62 WeakPolarHBondContact O-CB 3.2Å; S58-F62 PolarHBondContact O-N 3.01Å; Y59-F62 PolarHBondContact O-N 3.35Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.5Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.34Å; F62-C65 PolarHBondContact O-N 2.94Å; F62-F66 WeakPolarHBondContact O-CB 3.35Å; F62-F66 PolarHBondContact O-N 3.47Å; F62-V242 HydrophobicContact CD1-CG2 4.22Å; F62-V242 HydrophobicContact CE1-CG1 4.48Å; F62-V242 HydrophobicContact CE1-CG2 3.6Å; F62-V242 HydrophobicContact CZ-CG1 4.24Å; F62-V242 HydrophobicContact CZ-CG2 4.15Å; F62-V249 HydrophobicContact CE1-CB 4.26Å; F62-V249 HydrophobicContact CE1-CG2 4.08Å; F62-V249 HydrophobicContact CZ-CB 4.05Å; F62-V249 HydrophobicContact CZ-CG1 4.2Å; F62-V249 HydrophobicContact CZ-CG2 4.38Å
63A94.8Very high89.9Confident0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-64.7-39.217800000111.8Y59 E60 T61 F66 F67 V94 T96 V217 L240Y59-A63 WeakPolarHBondContact O-CB 3.24Å; Y59-A63 PolarHBondContact O-N 3.42Å; E60-A63 PolarHBondContact O-N 3.09Å; T61-A63 PolarHBondContact O-N 3.29Å; A63-F66 WeakPolarHBondContact O-CB 3.33Å; A63-F66 PolarHBondContact O-N 2.78Å; A63-F67 VanDerWaalsContact O-CD2 3.27Å; A63-F67 WeakPolarHBondContact O-CD2 3.49Å; A63-F67 PolarHBondContact O-N 2.86Å; A63-F67 VanDerWaalsContact O-N 3.11Å; A63-V94 HydrophobicContact CB-CG1 3.99Å; A63-T96 HydrophobicContact CB-CG2 3.44Å; A63-T96 VanDerWaalsContact CB-CG2 3.44Å; A63-V217 HydrophobicContact CB-CG1 4.4Å; A63-L240 HydrophobicContact CB-CD1 3.91Å
64L94Very high89.9Confident51 Ų5151.4 Ų51.427%0.26726%0.264SS..Hα-helixtrans-62.8-45175-175.163.5000112E60 T61 F62 F66 F67 K68 V94E60-L64 WeakPolarHBondContact O-CB 3.44Å; E60-L64 PolarHBondContact O-N 2.73Å; T61-L64 PolarHBondContact O-N 2.9Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.34Å; L64-F66 VanDerWaalsContact C-N 3.32Å; L64-F66 PolarHBondContact O-N 3.49Å; L64-F67 PolarHBondContact O-N 3.37Å; L64-K68 HydrophobicContact CD1-CD 4.16Å; L64-K68 HydrophobicContact CG-CD 4.17Å; L64-K68 WeakPolarHBondContact O-CB 3.29Å; L64-K68 WeakPolarHBondContact O-CG 3.28Å; L64-K68 PolarHBondContact O-N 3.13Å; L64-K68 VanDerWaalsContact O-N 3.15Å; L64-V94 HydrophobicContact CD1-CG2 3.92Å
65C93.6Very high89.9Confident28 Ų2851.9 Ų51.919%0.18927%0.27CS..Hα-helixtrans-60.5-43.3174.6-70.20000111.1F12 F14 T61 F62 F67 K68 D69F12-C65 HydrophobicContact CB-CB 4.05Å; F12-C65 HydrophobicContact CD2-CB 4.27Å; F14-C65 HydrophobicContact CE2-CB 4.08Å; T61-C65 PolarHBondContact O-N 2.88Å; T61-C65 PolarHBondContact O-SG 2.79Å; T61-C65 VanDerWaalsContact O-SG 3.33Å; F62-C65 PolarHBondContact O-N 2.94Å; C65-F67 PolarHBondContact O-N 2.7Å; C65-K68 PolarHBondContact O-N 3.34Å; C65-D69 PolarHBondContact O-N 2.95Å
66F94.5Very high89.8Confident0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-56.8-48.7178.7-178-93000112.4F14 Y48 F62 A63 L64 K68 D69 V72 L240 V249 L251F14-F66 AromaticContact CD1-CD2 3.65Å; F14-F66 HydrophobicContact CD1-CD2 3.65Å; F14-F66 HydrophobicContact CD1-CE2 4.23Å; F14-F66 HydrophobicContact CD2-CD2 4.35Å; F14-F66 HydrophobicContact CE1-CB 4.32Å; F14-F66 AromaticContact CE1-CD2 3.66Å; F14-F66 HydrophobicContact CE1-CD2 3.66Å; F14-F66 HydrophobicContact CE1-CG 4.5Å; F14-F66 HydrophobicContact CE2-CB 3.97Å; F14-F66 HydrophobicContact CE2-CD2 4.36Å; F14-F66 AromaticContact CG-CD2 4Å; F14-F66 HydrophobicContact CG-CD2 4Å; F14-F66 HydrophobicContact CZ-CB 3.82Å; F14-F66 HydrophobicContact CZ-CD2 4.02Å; F14-F66 HydrophobicContact CZ-CG 4.45Å; Y48-F66 AromaticContact CD2-CE2 3.54Å; Y48-F66 HydrophobicContact CD2-CE2 3.54Å; Y48-F66 AromaticContact CD2-CZ 3.65Å; Y48-F66 HydrophobicContact CD2-CZ 3.65Å; Y48-F66 AromaticContact CE2-CE2 4Å; Y48-F66 HydrophobicContact CE2-CE2 4Å; Y48-F66 AromaticContact CE2-CZ 3.61Å; Y48-F66 HydrophobicContact CE2-CZ 3.61Å; Y48-F66 AromaticContact CG-CE2 3.89Å; Y48-F66 HydrophobicContact CG-CE2 3.89Å; Y48-F66 HydrophobicContact CG-CZ 4.35Å; F62-F66 WeakPolarHBondContact O-CB 3.35Å; F62-F66 PolarHBondContact O-N 3.47Å; A63-F66 WeakPolarHBondContact O-CB 3.33Å; A63-F66 PolarHBondContact O-N 2.78Å; L64-F66 VanDerWaalsContact C-N 3.32Å; L64-F66 PolarHBondContact O-N 3.49Å; F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 3.43Å; F66-D69 PolarHBondContact O-N 2.9Å; F66-V72 HydrophobicContact CD1-CG1 3.98Å; F66-V72 HydrophobicContact CD2-CG2 3.97Å; F66-V72 HydrophobicContact CE1-CG1 3.52Å; F66-V72 HydrophobicContact CE2-CG1 4.14Å; F66-V72 HydrophobicContact CE2-CG2 3.77Å; F66-V72 HydrophobicContact CG-CG1 4.46Å; F66-V72 HydrophobicContact CG-CG2 4.46Å; F66-V72 HydrophobicContact CZ-CG1 3.61Å; F66-V72 HydrophobicContact CZ-CG2 4.11Å; F66-V72 WeakPolarHBondContact O-CB 3.36Å; F66-V72 WeakPolarHBondContact O-CG1 3.42Å; F66-L240 HydrophobicContact CB-CD1 4.48Å; F66-L240 HydrophobicContact CD1-CD1 4.25Å; F66-L240 HydrophobicContact CD1-CD2 3.79Å; F66-L240 HydrophobicContact CE1-CD2 3.61Å; F66-L240 HydrophobicContact CE2-CD2 4.4Å; F66-L240 HydrophobicContact CG-CD1 4.36Å; F66-L240 HydrophobicContact CG-CD2 4.26Å; F66-L240 HydrophobicContact CZ-CD2 3.94Å; F66-V249 HydrophobicContact CD2-CG1 3.89Å; F66-V249 HydrophobicContact CE2-CG1 3.68Å; F66-L251 HydrophobicContact CE1-CB 4.36Å; F66-L251 HydrophobicContact CE1-CD1 4.44Å; F66-L251 HydrophobicContact CE1-CD2 4.2Å; F66-L251 HydrophobicContact CZ-CB 4.06Å; F66-L251 HydrophobicContact CZ-CD2 4.43Å
67F92.4Very high89.4Confident0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-78-10.3-179.5-75.8-70.7000114.6A63 L64 C65 V91 V94 V217 A219 F227 L240 L251A63-F67 VanDerWaalsContact O-CD2 3.27Å; A63-F67 WeakPolarHBondContact O-CD2 3.49Å; A63-F67 PolarHBondContact O-N 2.86Å; A63-F67 VanDerWaalsContact O-N 3.11Å; L64-F67 PolarHBondContact O-N 3.37Å; C65-F67 PolarHBondContact O-N 2.7Å; F67-V91 HydrophobicContact CB-CB 4.44Å; F67-V91 HydrophobicContact CB-CG1 4.15Å; F67-V91 HydrophobicContact CB-CG2 4.22Å; F67-V94 HydrophobicContact CB-CG2 4.04Å; F67-V94 HydrophobicContact CD2-CG1 3.94Å; F67-V94 HydrophobicContact CD2-CG2 3.77Å; F67-V94 HydrophobicContact CE2-CG1 4.16Å; F67-V94 HydrophobicContact CG-CG2 4.24Å; F67-V217 HydrophobicContact CE2-CB 3.98Å; F67-V217 HydrophobicContact CE2-CG2 3.78Å; F67-V217 HydrophobicContact CZ-CB 4.41Å; F67-V217 HydrophobicContact CZ-CG2 3.75Å; F67-A219 HydrophobicContact CD1-CB 4.13Å; F67-A219 HydrophobicContact CD2-CB 4.42Å; F67-A219 HydrophobicContact CE1-CB 4.46Å; F67-A219 HydrophobicContact CG-CB 4.12Å; F67-F227 HydrophobicContact CD1-CD1 4.48Å; F67-F227 AromaticContact CE1-CD1 3.39Å; F67-F227 HydrophobicContact CE1-CD1 3.39Å; F67-F227 AromaticContact CE1-CE1 3.6Å; F67-F227 HydrophobicContact CE1-CE1 3.6Å; F67-F227 HydrophobicContact CE1-CG 4.09Å; F67-F227 HydrophobicContact CE1-CZ 4.43Å; F67-F227 AromaticContact CZ-CD1 3.53Å; F67-F227 HydrophobicContact CZ-CD1 3.53Å; F67-F227 AromaticContact CZ-CE1 3.53Å; F67-F227 HydrophobicContact CZ-CE1 3.53Å; F67-L240 HydrophobicContact CE2-CD1 4.42Å; F67-L251 HydrophobicContact CZ-CD1 4.37Å
68K91.9Very high88.4Confident107 Ų10746.1 Ų46.147%0.46525%0.253SS..Hα-helixtrans-96.7-10.2172.6-73.6-177.6174.6177.60113.1L64 C65 F66 V91L64-K68 HydrophobicContact CD1-CD 4.16Å; L64-K68 HydrophobicContact CG-CD 4.17Å; L64-K68 WeakPolarHBondContact O-CB 3.29Å; L64-K68 WeakPolarHBondContact O-CG 3.28Å; L64-K68 PolarHBondContact O-N 3.13Å; L64-K68 VanDerWaalsContact O-N 3.15Å; C65-K68 PolarHBondContact O-N 3.34Å; F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 3.43Å; K68-V91 WeakPolarHBondContact CE-O 3.45Å
69D91.8Very high87.3Confident17 Ų1748.1 Ų48.19%0.09126%0.262CS..  trans-70.5125.4-177.6-176.6-73.8000111.1F14 C65 F66 Q71 V72 I73F14-D69 HydrophobicContact CB-CB 4.4Å; F14-D69 HydrophobicContact CD2-CB 3.73Å; F14-D69 HydrophobicContact CG-CB 4.5Å; F14-D69 PolarHBondContact N-OD2 3.2Å; C65-D69 PolarHBondContact O-N 2.95Å; F66-D69 PolarHBondContact O-N 2.9Å; D69-Q71 VanDerWaalsContact C-N 3.29Å; D69-Q71 PolarHBondContact O-N 2.8Å; D69-Q71 WeakPolarHBondContact OD1-CA 3.39Å; D69-Q71 VanDerWaalsContact OD1-CB 3.23Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.49Å; D69-Q71 PolarHBondContact OD1-N 2.85Å; D69-V72 HydrophobicContact CB-CB 4.12Å; D69-V72 HydrophobicContact CB-CG2 3.85Å; D69-V72 PolarHBondContact O-N 2.79Å; D69-V72 PolarHBondContact OD1-N 2.97Å; D69-V72 VanDerWaalsContact OD1-N 3.11Å; D69-I73 WeakPolarHBondContact O-CG1 3.35Å; D69-I73 PolarHBondContact O-N 2.74Å
70P89.2Confident85.4Confident95 Ų9552.5 Ų52.562%0.61728%0.284SS*.Hα-helixtrans-61-33-178.1-25.334.5000114.4A74P70-A74 VanDerWaalsContact O-CB 3.28Å; P70-A74 WeakPolarHBondContact O-CB 3.28Å; P70-A74 PolarHBondContact O-N 2.85Å
71Q89.9Confident83.1Confident109 Ų10952.4 Ų52.451%0.50930%0.303SS..Hα-helixtrans-71.5-38.9178.6-61.6-66.9-39.600110.7D69 S75D69-Q71 VanDerWaalsContact C-N 3.29Å; D69-Q71 PolarHBondContact O-N 2.8Å; D69-Q71 WeakPolarHBondContact OD1-CA 3.39Å; D69-Q71 VanDerWaalsContact OD1-CB 3.23Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.49Å; D69-Q71 PolarHBondContact OD1-N 2.85Å; Q71-S75 VanDerWaalsContact O-CB 3.28Å; Q71-S75 WeakPolarHBondContact O-CB 3.36Å; Q71-S75 PolarHBondContact O-N 2.8Å
72V90.1Very high80.9Confident0 Ų051.6 Ų51.60%031%0.309CS..Hα-helixtrans-63-49.8173.4177.10000110.2F14 Y48 F66 D69 A74 S75 L76F14-V72 HydrophobicContact CB-CG2 3.65Å; F14-V72 HydrophobicContact CD2-CG2 4.47Å; F14-V72 HydrophobicContact CG-CG2 4.13Å; Y48-V72 HydrophobicContact CD1-CG2 3.91Å; Y48-V72 HydrophobicContact CE1-CB 4.38Å; Y48-V72 HydrophobicContact CE1-CG2 3.97Å; Y48-V72 HydrophobicContact CG-CG2 4.44Å; F66-V72 HydrophobicContact CD1-CG1 3.98Å; F66-V72 HydrophobicContact CD2-CG2 3.97Å; F66-V72 HydrophobicContact CE1-CG1 3.52Å; F66-V72 HydrophobicContact CE2-CG1 4.14Å; F66-V72 HydrophobicContact CE2-CG2 3.77Å; F66-V72 HydrophobicContact CG-CG1 4.46Å; F66-V72 HydrophobicContact CG-CG2 4.46Å; F66-V72 HydrophobicContact CZ-CG1 3.61Å; F66-V72 HydrophobicContact CZ-CG2 4.11Å; F66-V72 WeakPolarHBondContact O-CB 3.36Å; F66-V72 WeakPolarHBondContact O-CG1 3.42Å; D69-V72 HydrophobicContact CB-CB 4.12Å; D69-V72 HydrophobicContact CB-CG2 3.85Å; D69-V72 PolarHBondContact O-N 2.79Å; D69-V72 PolarHBondContact OD1-N 2.97Å; D69-V72 VanDerWaalsContact OD1-N 3.11Å; V72-A74 VanDerWaalsContact C-N 3.33Å; V72-A74 PolarHBondContact O-N 3.01Å; V72-S75 WeakPolarHBondContact O-CB 3.31Å; V72-S75 PolarHBondContact O-N 2.88Å; V72-L76 HydrophobicContact CG1-CD1 3.91Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 WeakPolarHBondContact O-CG 3.41Å; V72-L76 PolarHBondContact O-N 3.46Å
73I88.3Confident78.9Confident46 Ų4652.4 Ų52.424%0.23631%0.313CS..Hα-helixtrans-59-44.4179.4-65.7165.3000111.2D69 L76 S77 L87D69-I73 WeakPolarHBondContact O-CG1 3.35Å; D69-I73 PolarHBondContact O-N 2.74Å; I73-L76 PolarHBondContact O-N 3.21Å; I73-S77 WeakPolarHBondContact O-CB 3.35Å; I73-S77 PolarHBondContact O-N 2.87Å; I73-S77 PolarHBondContact O-OG 3Å; I73-L87 HydrophobicContact CG1-CD1 4.37Å; I73-L87 HydrophobicContact CG2-CB 4.23Å
74A86.2Confident76.7Confident44 Ų4457.8 Ų57.836%0.36435%0.35SS..Hα-helixtrans-63.3-42.9177.100000111.9P70 V72 L76 S77 N78P70-A74 VanDerWaalsContact O-CB 3.28Å; P70-A74 WeakPolarHBondContact O-CB 3.28Å; P70-A74 PolarHBondContact O-N 2.85Å; V72-A74 VanDerWaalsContact C-N 3.33Å; V72-A74 PolarHBondContact O-N 3.01Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 2.79Å; A74-S77 PolarHBondContact O-N 2.81Å; A74-N78 VanDerWaalsContact O-CG 3.29Å; A74-N78 PolarHBondContact O-N 3.4Å; A74-N78 PolarHBondContact O-ND2 3.11Å
75S85.9Confident74.9Confident26 Ų2655.9 Ų55.918%0.18234%0.34CS..Hα-helixtrans-62.7-39.3177.3-164.70000112.4Q46 Y48 Q71 V72Q46-S75 PolarHBondContact OE1-OG 3.13Å; Y48-S75 WeakPolarHBondContact OH-CB 3.38Å; Y48-S75 PolarHBondContact OH-OG 3.27Å; Q71-S75 VanDerWaalsContact O-CB 3.28Å; Q71-S75 WeakPolarHBondContact O-CB 3.36Å; Q71-S75 PolarHBondContact O-N 2.8Å; V72-S75 WeakPolarHBondContact O-CB 3.31Å; V72-S75 PolarHBondContact O-N 2.88Å
76L82.4Confident73Confident1 Ų156.1 Ų56.11%0.00534%0.341CS..Hα-helixtrans-71.9-34.5177.3-66.4175.6000112.6V72 I73 A74 N78 L87 L251 F253V72-L76 HydrophobicContact CG1-CD1 3.91Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 WeakPolarHBondContact O-CG 3.41Å; V72-L76 PolarHBondContact O-N 3.46Å; I73-L76 PolarHBondContact O-N 3.21Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 2.79Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-L87 HydrophobicContact CB-CD1 4.19Å; L76-L87 HydrophobicContact CD1-CD1 3.58Å; L76-L251 HydrophobicContact CD1-CD2 4.4Å; L76-L251 HydrophobicContact CD2-CD2 3.59Å; L76-F253 HydrophobicContact CD2-CE1 4.42Å
77S73.4Confident71.5Confident58 Ų5857 Ų5741%0.40635%0.345SS..Hα-helixtrans-70.4-27.7179-58.70000113.4I73 A74 M79I73-S77 WeakPolarHBondContact O-CB 3.35Å; I73-S77 PolarHBondContact O-N 2.87Å; I73-S77 PolarHBondContact O-OG 3Å; A74-S77 PolarHBondContact O-N 2.81Å; S77-M79 PolarHBondContact O-N 3.3Å
78N63.2Low70.1Confident138 Ų13864.9 Ų64.974%0.73838%0.382SS*.THydrogen-bonded Turntrans-82.311-177-71.4-25.3000114.4A74 L76A74-N78 VanDerWaalsContact O-CG 3.29Å; A74-N78 PolarHBondContact O-N 3.4Å; A74-N78 PolarHBondContact O-ND2 3.11Å; L76-N78 VanDerWaalsContact C-N 3.34Å
79M63.1Low69.5Low52 Ų5265.5 Ų65.526%0.25638%0.381SS..SBendtrans-74.8140.4178.9-71.8-156.7130.200112.7S44 Q46 S77 F253S44-M79 WeakPolarHBondContact OG-CE 3.16Å; Q46-M79 HydrophobicContact CG-CE 4.19Å; S77-M79 PolarHBondContact O-N 3.3Å; M79-F253 HydrophobicContact CE-CZ 4.24Å; M79-F253 HydrophobicContact SD-CE1 4.34Å; M79-F253 HydrophobicContact SD-CZ 3.57Å; M79-F253 VanDerWaalsContact SD-CZ 3.57Å
80E50.8Low69.1Low148 Ų14869.9 Ų69.969%0.69241%0.411SS*.  trans-54.6143.8-175.8-72.6-173.5161.200113.5G82 K260E80-G82 PolarHBondContact O-N 2.79Å; E80-K260 IonicContact OE2-NZ 3.41Å; E80-K260 PolarHBondContact OE2-NZ 3.36Å
81A42.8Very low69.1Low111 Ų11165.8 Ų65.892%0.91738%0.384SS*.THydrogen-bonded Turntrans-48.9100.4-17600000113.4
82G47.2Very low69.1Low53 Ų5363.3 Ų63.355%0.54638%0.383SS..THydrogen-bonded Turntrans167.8-26.5176.400000112.1E80E80-G82 PolarHBondContact O-N 2.79Å
83V52.1Low69.2Low17 Ų1766.3 Ų66.310%0.10340%0.403CS..SBendtrans-132.552.9174.1-169.40000107.8R42 M85 I255R42-V83 HydrophobicContact CG-CG2 4.2Å; V83-M85 HydrophobicContact CG1-CG 4.4Å; V83-M85 PolarHBondContact O-N 2.96Å; V83-I255 HydrophobicContact CG1-CB 4.26Å; V83-I255 HydrophobicContact CG1-CD1 3.25Å; V83-I255 HydrophobicContact CG1-CG1 4.26Å
84C47.5Very low69.5Low112 Ų11265.3 Ų65.376%0.75740%0.399SS*.  trans-62.6110.1175-159.50000107.3P86C84-P86 WeakPolarHBondContact O-CD 3.41Å
85M56.1Low69.9Low12 Ų1266.1 Ų66.16%0.05940%0.402CS..  trans-86.6112.7-171.2-92.3-61.1-43.300109V83 L87 F227 I255V83-M85 HydrophobicContact CG1-CG 4.4Å; V83-M85 PolarHBondContact O-N 2.96Å; M85-L87 HydrophobicContact CE-CG 4.42Å; M85-L87 PolarHBondContact O-N 2.84Å; M85-F227 HydrophobicContact CE-CB 3.84Å; M85-F227 HydrophobicContact CE-CD2 3.27Å; M85-F227 HydrophobicContact CE-CE2 4.21Å; M85-F227 HydrophobicContact CE-CG 4Å; M85-F227 HydrophobicContact SD-CD2 3.7Å; M85-F227 HydrophobicContact SD-CE2 4.21Å; M85-I255 HydrophobicContact SD-CD1 3.63Å
86P53.9Low70.4Confident33 Ų3365.9 Ų65.921%0.21440%0.4CS..  trans-84.969.8-179.535.2-31.9000109.3C84 E88C84-P86 WeakPolarHBondContact O-CD 3.41Å; P86-E88 HydrophobicContact CB-CG 3.97Å; P86-E88 PolarHBondContact O-N 3.32Å; P86-E88 VanDerWaalsContact O-N 3.09Å
87L62.7Low71Confident17 Ų1769.5 Ų69.59%0.08942%0.417CS..  trans-75.937.5151.2-71.3167.2000109.4I73 L76 M85 R89 V91I73-L87 HydrophobicContact CG1-CD1 4.37Å; I73-L87 HydrophobicContact CG2-CB 4.23Å; L76-L87 HydrophobicContact CB-CD1 4.19Å; L76-L87 HydrophobicContact CD1-CD1 3.58Å; M85-L87 HydrophobicContact CE-CG 4.42Å; M85-L87 PolarHBondContact O-N 2.84Å; L87-R89 PolarHBondContact O-N 3.35Å; L87-V91 HydrophobicContact CD2-CG2 3.46Å; L87-V91 VanDerWaalsContact CD2-CG2 3.46Å
88E64.5Low72.2Confident167 Ų16771.3 Ų71.378%0.7842%0.421SS*.  trans-63.5-25.6177.9-70175.6-17700111.2P86P86-E88 HydrophobicContact CB-CG 3.97Å; P86-E88 PolarHBondContact O-N 3.32Å; P86-E88 VanDerWaalsContact O-N 3.09Å
89R78Confident73.8Confident119 Ų11964.9 Ų64.945%0.44939%0.387SS..SBendtrans-113.6147.2179.4-63.5-176.6-178.2-177.63.4110.5L87 V91 D221 S223L87-R89 PolarHBondContact O-N 3.35Å; R89-V91 PolarHBondContact O-N 2.98Å; R89-D221 HydrophobicContact CB-CB 4.08Å; R89-S223 PolarHBondContact NH1-OG 3.34Å
90P84.4Confident75.4Confident110 Ų11064.9 Ų64.971%0.71439%0.391SS*.  trans-57.1133.3175.1-22.832.8000111.4A92P90-A92 PolarHBondContact O-N 2.95Å
91V88.3Confident77.6Confident8 Ų858.5 Ų58.55%0.04836%0.362CS..  trans-65.4121173.5176.40000108.9F67 K68 L87 R89 S93 V94 A219F67-V91 HydrophobicContact CB-CB 4.44Å; F67-V91 HydrophobicContact CB-CG1 4.15Å; F67-V91 HydrophobicContact CB-CG2 4.22Å; K68-V91 WeakPolarHBondContact CE-O 3.45Å; L87-V91 HydrophobicContact CD2-CG2 3.46Å; L87-V91 VanDerWaalsContact CD2-CG2 3.46Å; R89-V91 PolarHBondContact O-N 2.98Å; V91-S93 WeakPolarHBondContact CG1-O 3.35Å; V91-V94 HydrophobicContact CG1-CG2 3.86Å; V91-A219 HydrophobicContact CG1-CB 4.01Å; V91-A219 HydrophobicContact CG2-CB 4.28Å
92A90.1Very high80.1Confident58 Ų5857.6 Ų57.648%0.47935%0.346SS..  trans-84.3-44179.300000111.1P90 Y220P90-A92 PolarHBondContact O-N 2.95Å; A92-Y220 PolarHBondContact N-O 3.4Å
93S92.8Very high82.3Confident62 Ų6258.3 Ų58.343%0.43433%0.334SS..EExtended strand (participates in β ladder)trans-150.3163.9-178.563.80000112.1V91 Y220V91-S93 WeakPolarHBondContact CG1-O 3.35Å; S93-Y220 PolarHBondContact N-O 3.32Å; S93-Y220 PolarHBondContact O-N 3.14Å
94V94.1Very high84.2Confident25 Ų2561.2 Ų61.215%0.15235%0.348CS..EExtended strand (participates in β ladder)trans-133.3125.4178.3-178.90000108.4A63 L64 F67 V91 T96 V217 C218 A219A63-V94 HydrophobicContact CB-CG1 3.99Å; L64-V94 HydrophobicContact CD1-CG2 3.92Å; F67-V94 HydrophobicContact CB-CG2 4.04Å; F67-V94 HydrophobicContact CD2-CG1 3.94Å; F67-V94 HydrophobicContact CD2-CG2 3.77Å; F67-V94 HydrophobicContact CE2-CG1 4.16Å; F67-V94 HydrophobicContact CG-CG2 4.24Å; V91-V94 HydrophobicContact CG1-CG2 3.86Å; V94-T96 HydrophobicContact CG1-CG2 3.92Å; V94-V217 HydrophobicContact CG1-CB 4.45Å; V94-C218 CarbonylContact C-O 3.57Å; V94-C218 WeakPolarHBondContact CA-O 3.35Å; V94-A219 HydrophobicContact CG2-CB 4.38Å
95S94.8Very high86.4Confident61 Ų6157.9 Ų57.943%0.42733%0.326SS..EExtended strand (participates in β ladder)trans-83.4135.4167.6-179.10000108.8V217 C218S95-V217 WeakPolarHBondContact O-CA 3.23Å; S95-C218 PolarHBondContact N-O 3.28Å; S95-C218 PolarHBondContact O-N 2.78Å
96T95.9Very high88.3Confident21 Ų2159 Ų5913%0.12933%0.331CS..EExtended strand (participates in β ladder)trans-133.4138.9-179.355.70000110.3Y59 E60 A63 V94 K216 V217Y59-T96 WeakPolarHBondContact CD2-OG1 3.46Å; Y59-T96 WeakPolarHBondContact CE2-OG1 3.28Å; E60-T96 WeakPolarHBondContact CG-OG1 3.4Å; A63-T96 HydrophobicContact CB-CG2 3.44Å; A63-T96 VanDerWaalsContact CB-CG2 3.44Å; V94-T96 HydrophobicContact CG1-CG2 3.92Å; T96-K216 CarbonylContact C-O 3.5Å; T96-K216 VanDerWaalsContact CA-O 3.31Å; T96-K216 WeakPolarHBondContact CA-O 3.36Å; T96-V217 HydrophobicContact CG2-CG1 4.12Å
97E96.3Very high90.2Very high78 Ų7863.6 Ų63.636%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-127.6123.6173.5-178.7-156.1162.500108.2V99 R164 L215 K216E97-V99 PolarHBondContact O-N 2.54Å; E97-R164 VanDerWaalsContact CD-NH1 3.27Å; E97-R164 IonicContact OE1-CZ 2.7Å; E97-R164 VanDerWaalsContact OE1-CZ 3.24Å; E97-R164 IonicContact OE1-NH1 3.24Å; E97-R164 PolarHBondContact OE1-NH1 3.2Å; E97-R164 IonicContact OE1-NH2 2.84Å; E97-R164 PolarHBondContact OE1-NH2 3.28Å; E97-R164 IonicContact OE2-NH1 2.87Å; E97-R164 PolarHBondContact OE2-NH1 2.97Å; E97-L215 CarbonylContact O-C 3.54Å; E97-L215 WeakPolarHBondContact O-CA 3.36Å; E97-K216 HydrophobicContact CB-CB 4.09Å; E97-K216 PolarHBondContact N-O 2.71Å; E97-K216 PolarHBondContact O-N 3.18Å; E97-K216 WeakPolarHBondContact OE2-CD 3.41Å
98L96.8Very high91.8Very high95 Ų9563.6 Ų63.650%0.49735%0.35SS..EExtended strand (participates in β ladder)trans-70.1117.5172.7-175.667.4000109.6T213 L215L98-T213 HydrophobicContact CD1-CG2 3.75Å; L98-L215 HydrophobicContact CD1-CD2 3.78Å
99V97.6Very high93.4Very high4 Ų455.7 Ų55.72%0.02431%0.313CS..EExtended strand (participates in β ladder)trans-97.5121.5-179.2-176.20000109.1E97 C101 F161 V214 K216 Y239E97-V99 PolarHBondContact O-N 2.54Å; V99-C101 PolarHBondContact O-N 2.9Å; V99-F161 HydrophobicContact CG1-CB 3.85Å; V99-F161 HydrophobicContact CG1-CD2 4.47Å; V99-V214 HydrophobicContact CB-CB 4.22Å; V99-V214 HydrophobicContact CB-CG1 4.07Å; V99-V214 HydrophobicContact CG2-CG1 4.48Å; V99-V214 PolarHBondContact N-O 2.9Å; V99-K216 HydrophobicContact CG2-CB 3.91Å; V99-Y239 HydrophobicContact CG2-CD1 4.27Å; V99-Y239 HydrophobicContact CG2-CE1 3.99Å
100P97.1Very high94.2Very high51 Ų5154.1 Ų54.133%0.33131%0.314SS..PPolyproline II helixtrans-53.4130.1173-26.234.8000111K159 E160 F161P100-K159 HydrophobicContact CG-CB 4.34Å; P100-E160 WeakPolarHBondContact CB-OE1 3.16Å; P100-E160 CarbonylContact O-C 3.53Å; P100-E160 VanDerWaalsContact O-CA 3.29Å; P100-E160 WeakPolarHBondContact O-CA 3.4Å; P100-F161 PolarHBondContact O-N 3Å
101C96.6Very high94.8Very high14 Ų1451.2 Ų51.210%0.09530%0.295CS..  trans-138.871.7179.4-167.10000108.2V99 F161 Y193 V210 V214V99-C101 PolarHBondContact O-N 2.9Å; C101-F161 HydrophobicContact CB-CB 4.19Å; C101-Y193 PolarHBondContact SG-OH 2.94Å; C101-V210 HydrophobicContact CB-CG1 4.46Å; C101-V210 VanDerWaalsContact O-CB 3.24Å; C101-V210 WeakPolarHBondContact O-CB 3.35Å; C101-V210 WeakPolarHBondContact O-CG1 3.35Å; C101-V210 WeakPolarHBondContact O-CG2 3.28Å; C101-V214 HydrophobicContact CB-CB 4.38Å; C101-V214 HydrophobicContact CB-CG2 3.76Å
102T95.1Very high95.2Very high93 Ų9350.8 Ų50.857%0.57129%0.292SS*.  trans-117.3-26.8-173.873.10000112.4E160T102-E160 PolarHBondContact N-OE2 3.25Å; T102-E160 PolarHBondContact OG1-OE1 2.94Å; T102-E160 PolarHBondContact OG1-OE2 3.04Å
103K94.3Very high95.4Very high68 Ų6852.8 Ų52.830%0.29629%0.288SS..  trans-79.9128.2-179.5-54.2-67.9179.81610110.5L108 E157 E160 L162 Y193K103-L108 HydrophobicContact CD-CD1 4.29Å; K103-L108 HydrophobicContact CG-CD1 4.05Å; K103-E157 IonicContact NZ-OE1 2.78Å; K103-E157 PolarHBondContact NZ-OE1 3.36Å; K103-E160 HydrophobicContact CG-CB 4.31Å; K103-E160 HydrophobicContact CG-CG 3.65Å; K103-E160 PolarHBondContact N-OE2 3.03Å; K103-L162 HydrophobicContact CB-CD2 4.33Å; K103-Y193 PolarHBondContact O-OH 3.42Å
104I91.7Very high95.5Very high77 Ų7755.2 Ų55.240%0.39531%0.305SS..  trans-113.7-13176.660.7173.3000113V199 I208 V210I104-V199 HydrophobicContact CG2-CG1 4.08Å; I104-I208 HydrophobicContact CD1-CB 3.98Å; I104-I208 HydrophobicContact CD1-CG2 3.91Å; I104-V210 HydrophobicContact CG2-CG2 3.54Å
105S93.6Very high95.4Very high43 Ų4355.6 Ų55.630%0.30131%0.308SS..  trans-97141.2-177.1-171.20000110.8E107 L162S105-E107 PolarHBondContact O-N 3.3Å; S105-E107 WeakPolarHBondContact OG-CB 3.35Å; S105-E107 WeakPolarHBondContact OG-CG 3.32Å; S105-E107 PolarHBondContact OG-N 3.23Å; S105-E107 PolarHBondContact OG-OE2 3.21Å; S105-L162 WeakPolarHBondContact O-CD2 3.49Å
106M94.9Very high95.4Very high35 Ų3554.9 Ų54.917%0.17231%0.311CS..G310 helixtrans-74.9-8.8171.6-65.1-67.7143.800112.3L108 F109 L162 I186 K190M106-L108 PolarHBondContact O-N 2.92Å; M106-F109 WeakPolarHBondContact O-CD2 3.37Å; M106-F109 PolarHBondContact O-N 3.5Å; M106-F109 HydrophobicContact SD-CD2 4.24Å; M106-F109 HydrophobicContact SD-CE2 3.84Å; M106-L162 HydrophobicContact CE-CD1 3.47Å; M106-L162 VanDerWaalsContact CE-CD1 3.47Å; M106-L162 HydrophobicContact CE-CD2 4.15Å; M106-L162 HydrophobicContact CE-CG 4.45Å; M106-L162 HydrophobicContact SD-CD1 4.12Å; M106-L162 HydrophobicContact SD-CD2 4.5Å; M106-I186 HydrophobicContact SD-CG2 4.36Å; M106-K190 VanDerWaalsContact CE-CA 3.43Å; M106-K190 HydrophobicContact CE-CB 3.6Å; M106-K190 HydrophobicContact CE-CG 3.89Å; M106-K190 HydrophobicContact CG-CB 4.25Å; M106-K190 HydrophobicContact CG-CD 4.1Å; M106-K190 HydrophobicContact CG-CG 4.26Å; M106-K190 HydrophobicContact SD-CB 3.9Å; M106-K190 HydrophobicContact SD-CG 4.44Å
107E95.3Very high95.4Very high130 Ų13053.9 Ų53.961%0.60731%0.305SS*.G310 helixtrans-58.3-14.4172.3-65.4161166.100112.4S105 F109 D110S105-E107 PolarHBondContact O-N 3.3Å; S105-E107 WeakPolarHBondContact OG-CB 3.35Å; S105-E107 WeakPolarHBondContact OG-CG 3.32Å; S105-E107 PolarHBondContact OG-N 3.23Å; S105-E107 PolarHBondContact OG-OE2 3.21Å; E107-F109 PolarHBondContact O-N 3.04Å; E107-F109 VanDerWaalsContact O-N 3.09Å; E107-D110 WeakPolarHBondContact CA-OD1 3.2Å; E107-D110 WeakPolarHBondContact CA-OD2 3.43Å; E107-D110 WeakPolarHBondContact CB-OD2 3.13Å; E107-D110 WeakPolarHBondContact O-CB 3.33Å; E107-D110 PolarHBondContact O-N 3.11Å
108L96.3Very high95.4Very high17 Ų1750.7 Ų50.79%0.08929%0.29CS..G310 helixtrans-49-31.9167-170.466.9000112.7K103 M106 V153 E157 L162 F163K103-L108 HydrophobicContact CD-CD1 4.29Å; K103-L108 HydrophobicContact CG-CD1 4.05Å; M106-L108 PolarHBondContact O-N 2.92Å; L108-V153 HydrophobicContact CD1-CG1 4.25Å; L108-V153 HydrophobicContact CG-CG1 4.12Å; L108-V153 WeakPolarHBondContact O-CG1 3.17Å; L108-E157 HydrophobicContact CD1-CB 3.59Å; L108-E157 HydrophobicContact CD1-CG 3.41Å; L108-E157 VanDerWaalsContact CD1-CG 3.41Å; L108-L162 HydrophobicContact CB-CD2 4.44Å; L108-L162 HydrophobicContact CD2-CB 4.13Å; L108-L162 HydrophobicContact CD2-CD2 3.94Å; L108-L162 HydrophobicContact CD2-CG 3.97Å; L108-F163 HydrophobicContact CD2-CB 4.09Å
109F97Very high95.3Very high1 Ų153.2 Ų53.20%0.00429%0.293CS..G310 helixtrans-95.9-5.3-176.8-54.3-63.8000113.6M106 E107 P111 I112 L162 F163 F166 I186M106-F109 WeakPolarHBondContact O-CD2 3.37Å; M106-F109 PolarHBondContact O-N 3.5Å; M106-F109 HydrophobicContact SD-CD2 4.24Å; M106-F109 HydrophobicContact SD-CE2 3.84Å; E107-F109 PolarHBondContact O-N 3.04Å; E107-F109 VanDerWaalsContact O-N 3.09Å; F109-P111 VanDerWaalsContact C-N 3.31Å; F109-I112 HydrophobicContact CB-CD1 4.13Å; F109-I112 HydrophobicContact CD1-CD1 4.06Å; F109-I112 VanDerWaalsContact O-CB 3.26Å; F109-I112 WeakPolarHBondContact O-CB 3.45Å; F109-I112 WeakPolarHBondContact O-CG1 3.17Å; F109-I112 PolarHBondContact O-N 3.3Å; F109-L162 HydrophobicContact CE2-CD1 4.36Å; F109-L162 HydrophobicContact CE2-CD2 4.49Å; F109-L162 HydrophobicContact CE2-CG 4.18Å; F109-L162 HydrophobicContact CZ-CD1 4.47Å; F109-L162 HydrophobicContact CZ-CG 4.1Å; F109-F163 AromaticContact CE1-CD2 3.96Å; F109-F163 HydrophobicContact CE1-CD2 3.96Å; F109-F166 HydrophobicContact CD1-CD1 4.16Å; F109-F166 HydrophobicContact CD1-CE1 4.41Å; F109-F166 HydrophobicContact CD1-CG 4.25Å; F109-F166 HydrophobicContact CE1-CB 3.64Å; F109-F166 AromaticContact CE1-CD1 3.63Å; F109-F166 HydrophobicContact CE1-CD1 3.63Å; F109-F166 HydrophobicContact CE1-CD2 4.17Å; F109-F166 HydrophobicContact CE1-CE1 4.33Å; F109-F166 AromaticContact CE1-CG 3.54Å; F109-F166 HydrophobicContact CE1-CG 3.54Å; F109-F166 HydrophobicContact CE2-CB 4.48Å; F109-F166 HydrophobicContact CZ-CB 3.48Å; F109-F166 VanDerWaalsContact CZ-CB 3.48Å; F109-F166 HydrophobicContact CZ-CD1 4.33Å; F109-F166 HydrophobicContact CZ-CD2 4.24Å; F109-F166 AromaticContact CZ-CG 3.77Å; F109-F166 HydrophobicContact CZ-CG 3.77Å; F109-I186 HydrophobicContact CB-CD1 4.02Å; F109-I186 HydrophobicContact CD2-CG1 4.23Å; F109-I186 HydrophobicContact CG-CD1 4.45Å; F109-I186 HydrophobicContact CG-CG1 4.43Å
110D96Very high95.1Very high85 Ų8560 Ų6046%0.45534%0.337SS..G310 helixtrans-54.4-37.9180-68.8-4.2000113.9E107 I112 Y113E107-D110 WeakPolarHBondContact CA-OD1 3.2Å; E107-D110 WeakPolarHBondContact CA-OD2 3.43Å; E107-D110 WeakPolarHBondContact CB-OD2 3.13Å; E107-D110 WeakPolarHBondContact O-CB 3.33Å; E107-D110 PolarHBondContact O-N 3.11Å; D110-I112 PolarHBondContact O-N 2.88Å; D110-I112 VanDerWaalsContact O-N 3.1Å; D110-Y113 PolarHBondContact O-N 3.05Å
111P96.5Very high94.8Very high49 Ų4961.2 Ų61.232%0.31835%0.347SS..G310 helixtrans-56.8-27.3176.3-2736.4000114.1F109 Y113 S114 C115 V152F109-P111 VanDerWaalsContact C-N 3.31Å; P111-Y113 VanDerWaalsContact C-N 3.26Å; P111-Y113 PolarHBondContact O-N 3.35Å; P111-S114 PolarHBondContact O-N 2.98Å; P111-C115 PolarHBondContact O-N 2.89Å; P111-C115 PolarHBondContact O-SG 2.69Å; P111-C115 VanDerWaalsContact O-SG 3.33Å; P111-V152 HydrophobicContact CB-CG2 3.96Å; P111-V152 VanDerWaalsContact CB-O 3.31Å; P111-V152 WeakPolarHBondContact CB-O 3.25Å
112I96.6Very high94.5Very high0 Ų060.9 Ų60.90%035%0.346CS..G310 helixtrans-64.9-32.1180-55.3176.7000111F109 D110 S114 C115 I117 L118 L138 M141 V152 V153 F166 I182F109-I112 HydrophobicContact CB-CD1 4.13Å; F109-I112 HydrophobicContact CD1-CD1 4.06Å; F109-I112 VanDerWaalsContact O-CB 3.26Å; F109-I112 WeakPolarHBondContact O-CB 3.45Å; F109-I112 WeakPolarHBondContact O-CG1 3.17Å; F109-I112 PolarHBondContact O-N 3.3Å; D110-I112 PolarHBondContact O-N 2.88Å; D110-I112 VanDerWaalsContact O-N 3.1Å; I112-S114 VanDerWaalsContact C-N 3.26Å; I112-S114 PolarHBondContact O-N 3.28Å; I112-C115 PolarHBondContact O-SG 2.82Å; I112-I117 HydrophobicContact CG2-CB 4.11Å; I112-I117 HydrophobicContact CG2-CD1 4.14Å; I112-I117 HydrophobicContact CG2-CG2 3.92Å; I112-L118 HydrophobicContact CG2-CD1 3.84Å; I112-L118 HydrophobicContact CG2-CG 3.96Å; I112-L138 HydrophobicContact CG2-CD1 4.4Å; I112-M141 HydrophobicContact CD1-CE 3.76Å; I112-M141 HydrophobicContact CG1-CE 4.06Å; I112-V152 HydrophobicContact CG1-CG1 4.45Å; I112-V153 HydrophobicContact CD1-CG2 3.98Å; I112-V153 HydrophobicContact CG1-CG2 3.78Å; I112-F166 HydrophobicContact CD1-CE1 4.31Å; I112-F166 HydrophobicContact CD1-CZ 4.46Å; I112-I182 HydrophobicContact CB-CD1 4.35Å; I112-I182 HydrophobicContact CD1-CD1 4.04Å; I112-I182 HydrophobicContact CG2-CD1 3.73Å
113Y95.4Very high94.5Very high99 Ų9960.5 Ų60.539%0.38834%0.338SS..G310 helixtrans-74.3-14.8179.8-67.1-90.5000113.8D110 P111 L118 I182 D183 I186D110-Y113 PolarHBondContact O-N 3.05Å; P111-Y113 VanDerWaalsContact C-N 3.26Å; P111-Y113 PolarHBondContact O-N 3.35Å; Y113-L118 HydrophobicContact CD1-CD1 3.59Å; Y113-L118 HydrophobicContact CD2-CD1 4.41Å; Y113-L118 HydrophobicContact CE1-CD1 3.76Å; Y113-L118 HydrophobicContact CG-CD1 3.95Å; Y113-I182 HydrophobicContact CE1-CG2 3.97Å; Y113-I182 WeakPolarHBondContact OH-CG2 3.27Å; Y113-D183 PolarHBondContact OH-OD1 3.4Å; Y113-I186 HydrophobicContact CE2-CD1 4.1Å; Y113-I186 WeakPolarHBondContact OH-CD1 3.26Å
114S93.2Very high94.7Very high113 Ų11357.9 Ų57.979%0.7933%0.327SS*.G310 helixtrans-116.63.2-171.1-56.30000114.4P111 I112P111-S114 PolarHBondContact O-N 2.98Å; I112-S114 VanDerWaalsContact C-N 3.26Å; I112-S114 PolarHBondContact O-N 3.28Å
115C93.1Very high94.9Very high33 Ų3355.8 Ų55.822%0.22332%0.318CS..SBendtrans-111.12.3-173.960.90000114.8P111 I112 I117 H149 V152P111-C115 PolarHBondContact O-N 2.89Å; P111-C115 PolarHBondContact O-SG 2.69Å; P111-C115 VanDerWaalsContact O-SG 3.33Å; I112-C115 PolarHBondContact O-SG 2.82Å; C115-I117 WeakPolarHBondContact SG-CD1 3.39Å; C115-I117 VanDerWaalsContact SG-CG1 3.57Å; C115-H149 PolarHBondContact O-NE2 2.95Å; C115-H149 VanDerWaalsContact O-NE2 3.16Å; C115-V152 HydrophobicContact CB-CG2 3.48Å; C115-V152 VanDerWaalsContact CB-CG2 3.48Å; C115-V152 VanDerWaalsContact SG-CG2 3.58Å
116G93.6Very high94.9Very high46 Ų4658.4 Ų58.447%0.47432%0.324SS..SBendtrans92.1-6.1178.500000115.5L118 V125G116-L118 PolarHBondContact O-N 3.11Å; G116-V125 WeakPolarHBondContact O-CG2 3.35Å
117I96.4Very high94.7Very high0 Ų057.6 Ų57.60%032%0.322CS..SBendtrans-60.8-33.9170.1-65171.4000111.2I112 C115 V125 E137 L138 M141 H149 V152I112-I117 HydrophobicContact CG2-CB 4.11Å; I112-I117 HydrophobicContact CG2-CD1 4.14Å; I112-I117 HydrophobicContact CG2-CG2 3.92Å; C115-I117 WeakPolarHBondContact SG-CD1 3.39Å; C115-I117 VanDerWaalsContact SG-CG1 3.57Å; I117-V125 PolarHBondContact O-N 2.94Å; I117-E137 HydrophobicContact CB-CB 4.26Å; I117-E137 HydrophobicContact CG1-CB 4.25Å; I117-E137 HydrophobicContact CG2-CB 4.04Å; I117-L138 HydrophobicContact CG2-CB 3.97Å; I117-L138 HydrophobicContact CG2-CD1 4.26Å; I117-M141 HydrophobicContact CD1-CB 3.71Å; I117-M141 HydrophobicContact CD1-CE 4.02Å; I117-M141 HydrophobicContact CD1-CG 3.69Å; I117-H149 HydrophobicContact CD1-CB 4.02Å; I117-H149 HydrophobicContact CG1-CB 4.29Å; I117-V152 HydrophobicContact CD1-CG1 4.13Å
118L97Very high94.3Very high11 Ų1161.6 Ų61.66%0.05834%0.337CS..BIsolated β-bridgetrans-115142.5-178.9-54.9178000110.7I112 Y113 G116 H123 V124 I182I112-L118 HydrophobicContact CG2-CD1 3.84Å; I112-L118 HydrophobicContact CG2-CG 3.96Å; Y113-L118 HydrophobicContact CD1-CD1 3.59Å; Y113-L118 HydrophobicContact CD2-CD1 4.41Å; Y113-L118 HydrophobicContact CE1-CD1 3.76Å; Y113-L118 HydrophobicContact CG-CD1 3.95Å; G116-L118 PolarHBondContact O-N 3.11Å; L118-H123 CarbonylContact C-O 3.46Å; L118-H123 WeakPolarHBondContact CA-O 3.33Å; L118-V124 HydrophobicContact CD2-CB 4.42Å; L118-V124 HydrophobicContact CD2-CG2 3.97Å; L118-I182 HydrophobicContact CD1-CB 4.17Å; L118-I182 HydrophobicContact CD1-CD1 4.01Å; L118-I182 HydrophobicContact CD1-CG2 3.65Å; L118-I182 HydrophobicContact CD2-CB 4.09Å; L118-I182 HydrophobicContact CD2-CD1 4.46Å; L118-I182 HydrophobicContact CD2-CG2 4.33Å
119R95.1Very high94.1Very high148 Ų14863 Ų6356%0.55834%0.344SS*.  trans-70160.1163.1-62.7-174.9-178.3-86.9-2.1109.6S121 G122 H123 V125R119-S121 PolarHBondContact O-N 2.81Å; R119-G122 PolarHBondContact O-N 2.93Å; R119-H123 HydrophobicContact CB-CB 4.43Å; R119-H123 PolarHBondContact N-O 3.24Å; R119-V125 HydrophobicContact CG-CG2 3.85Å
120P91.6Very high93.4Very high147 Ų14771.4 Ų71.496%0.95539%0.388SS*.THydrogen-bonded Turntrans-54.9-22.2173.5-27.235.5000114.4G122P120-G122 VanDerWaalsContact C-N 3.26Å; P120-G122 PolarHBondContact O-N 2.74Å
121S91.1Very high93Very high76 Ų7672.1 Ų72.153%0.53140%0.395SS..THydrogen-bonded Turntrans-79.62.817459.50000114.6R119 H123R119-S121 PolarHBondContact O-N 2.81Å; S121-H123 WeakPolarHBondContact CB-ND1 3.21Å; S121-H123 PolarHBondContact O-N 2.96Å; S121-H123 PolarHBondContact O-ND1 2.6Å; S121-H123 PolarHBondContact OG-ND1 3.07Å
122G90.4Very high92.4Very high8 Ų875.7 Ų75.78%0.08240%0.403CS..SBendtrans77.13-174.700000114.9R119 P120 T181 I182R119-G122 PolarHBondContact O-N 2.93Å; P120-G122 VanDerWaalsContact C-N 3.26Å; P120-G122 PolarHBondContact O-N 2.74Å; G122-T181 WeakPolarHBondContact O-CA 3.48Å; G122-I182 PolarHBondContact O-N 3.13Å
123H96.3Very high91.6Very high85 Ų8582.1 Ų82.139%0.39445%0.445SS..BIsolated β-bridgetrans-77.2136.3178.7-69.960000111.1L118 R119 S121 D180L118-H123 CarbonylContact C-O 3.46Å; L118-H123 WeakPolarHBondContact CA-O 3.33Å; R119-H123 HydrophobicContact CB-CB 4.43Å; R119-H123 PolarHBondContact N-O 3.24Å; S121-H123 WeakPolarHBondContact CB-ND1 3.21Å; S121-H123 PolarHBondContact O-N 2.96Å; S121-H123 PolarHBondContact O-ND1 2.6Å; S121-H123 PolarHBondContact OG-ND1 3.07Å; H123-D180 CarbonylContact C-O 3.59Å; H123-D180 WeakPolarHBondContact CA-O 3.2Å
124V96.9Very high91Very high13 Ų1382.2 Ų82.28%0.07945%0.452CS..BIsolated β-bridgetrans-69.7132.2178.3-169.20000109.8L118 D136 L138 D180L118-V124 HydrophobicContact CD2-CB 4.42Å; L118-V124 HydrophobicContact CD2-CG2 3.97Å; V124-D136 HydrophobicContact CG1-CB 3.77Å; V124-L138 HydrophobicContact CG1-CB 3.54Å; V124-L138 HydrophobicContact CG2-CB 4.44Å; V124-L138 HydrophobicContact CG2-CD2 4.19Å; V124-D180 PolarHBondContact N-O 2.88Å
125V96.3Very high90.9Very high33 Ų3377.1 Ų77.120%0.242%0.416CS..PPolyproline II helixtrans-75.5128.6176.2176.90000109.1G116 I117 R119 D136 E137G116-V125 WeakPolarHBondContact O-CG2 3.35Å; I117-V125 PolarHBondContact O-N 2.94Å; R119-V125 HydrophobicContact CG-CG2 3.85Å; V125-D136 WeakPolarHBondContact O-CA 3.37Å; V125-D136 WeakPolarHBondContact O-CB 3.24Å; V125-E137 HydrophobicContact CB-CB 4.39Å; V125-E137 HydrophobicContact CB-CG 3.87Å; V125-E137 HydrophobicContact CG1-CG 3.93Å; V125-E137 WeakPolarHBondContact O-CB 3.24Å; V125-E137 WeakPolarHBondContact O-CG 3.42Å; V125-E137 PolarHBondContact O-N 2.8Å
126K94.4Very high91Very high98 Ų9875.8 Ų75.843%0.42641%0.407SS..EExtended strand (participates in β ladder)trans-75.6142.9173.4-64.4-68.7179.8174.30109.8D134 Y135 D136K126-D134 WeakPolarHBondContact CE-OD1 3.35Å; K126-D134 IonicContact NZ-OD1 3.12Å; K126-D134 PolarHBondContact NZ-OD1 2.83Å; K126-Y135 WeakPolarHBondContact CD-O 3.47Å; K126-D136 HydrophobicContact CD-CB 4.16Å
127C90.6Very high91.1Very high18 Ų1875.4 Ų75.412%0.12239%0.392CS..EExtended strand (participates in β ladder)trans-128.9163.3176.868.80000111.1Y135 E137 Q140C127-Y135 PolarHBondContact N-O 2.93Å; C127-E137 HydrophobicContact CB-CG 4.11Å; C127-E137 WeakPolarHBondContact CB-OE1 3.19Å; C127-Q140 PolarHBondContact SG-OE1 2.92Å; C127-Q140 VanDerWaalsContact SG-OE1 3.42Å
128F87.6Confident91.1Very high213 Ų21375.6 Ų75.693%0.93439%0.393SS*.  trans-83.8128.7173.8-68.1-75000109
129H90.3Very high91Very high48 Ų4876.3 Ų76.322%0.22240%0.395CS..  trans-128.3135.1174.8-176.4-79.8000109.6V131 Y132 Y135 E144H129-V131 PolarHBondContact ND1-N 2.93Å; H129-V131 VanDerWaalsContact ND1-N 3.11Å; H129-V131 PolarHBondContact O-N 2.86Å; H129-V131 VanDerWaalsContact O-N 3.16Å; H129-Y132 AromaticContact CE1-CD2 3.47Å; H129-Y132 VanDerWaalsContact CE1-CD2 3.47Å; H129-Y132 WeakPolarHBondContact CE1-CD2 3.06Å; H129-Y132 AromaticContact ND1-CD2 3.49Å; H129-Y132 WeakPolarHBondContact ND1-CD2 3.28Å; H129-Y132 PolarHBondContact ND1-N 2.94Å; H129-Y132 PolarHBondContact O-N 3.3Å; H129-Y135 VanDerWaalsContact CB-CB 3.49Å; H129-Y135 HydrophobicContact CB-CD1 3.71Å; H129-Y135 HydrophobicContact CB-CG 3.68Å; H129-Y135 AromaticContact CD2-CD1 3.62Å; H129-Y135 AromaticContact CD2-CE1 3.63Å; H129-Y135 AromaticContact CG-CD1 3.86Å; H129-Y135 AromaticContact CG-CG 3.92Å; H129-E144 IonicContact CD2-OE1 2.82Å; H129-E144 PolarHBondContact CD2-OE1 3.23Å; H129-E144 IonicContact NE2-OE1 2.7Å; H129-E144 PolarHBondContact NE2-OE1 3.11Å
130D83.9Confident90.9Very high176 Ų17670.9 Ų70.994%0.94138%0.377SS*.SBendtrans-59.8-33.1-171-66.9-30.2000113.3
131V85.9Confident91.2Very high100 Ų10063.9 Ų63.961%0.60633%0.331SS*.SBendtrans-98.8-29.3-176.9-173.50000113H129H129-V131 PolarHBondContact ND1-N 2.93Å; H129-V131 VanDerWaalsContact ND1-N 3.11Å; H129-V131 PolarHBondContact O-N 2.86Å; H129-V131 VanDerWaalsContact O-N 3.16Å
132Y84Confident91.4Very high124 Ų12460.3 Ų60.349%0.48631%0.306SS..  trans-124.9112.8-165.1-64.5-62.4000109.6H129 D134 Y135H129-Y132 AromaticContact CE1-CD2 3.47Å; H129-Y132 VanDerWaalsContact CE1-CD2 3.47Å; H129-Y132 WeakPolarHBondContact CE1-CD2 3.06Å; H129-Y132 AromaticContact ND1-CD2 3.49Å; H129-Y132 WeakPolarHBondContact ND1-CD2 3.28Å; H129-Y132 PolarHBondContact ND1-N 2.94Å; H129-Y132 PolarHBondContact O-N 3.3Å; Y132-D134 VanDerWaalsContact C-N 3.28Å; Y132-D134 PolarHBondContact O-N 3.17Å; Y132-Y135 HydrophobicContact CD2-CD2 4.17Å; Y132-Y135 HydrophobicContact CD2-CE2 4.26Å; Y132-Y135 HydrophobicContact CG-CD2 4.43Å
133P80.1Confident91.5Very high136 Ų13662.9 Ų62.988%0.88332%0.316SS*.SBendtrans-71.9-21.8-175.826.8-33.8000113.5
134D83.4Confident91.4Very high100 Ų10061.2 Ų61.254%0.53531%0.308SS..SBendtrans-116.272.3176.9-169.718.5000109.6K126 Y132 R139K126-D134 WeakPolarHBondContact CE-OD1 3.35Å; K126-D134 IonicContact NZ-OD1 3.12Å; K126-D134 PolarHBondContact NZ-OD1 2.83Å; Y132-D134 VanDerWaalsContact C-N 3.28Å; Y132-D134 PolarHBondContact O-N 3.17Å; D134-R139 PolarHBondContact O-NH1 3.38Å
135Y91.4Very high91.2Very high6 Ų666.5 Ų66.52%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-114162.6177.5-149.3-112.7000110.5K126 C127 H129 Y132 R139 Q140 Q143 E144K126-Y135 WeakPolarHBondContact CD-O 3.47Å; C127-Y135 PolarHBondContact N-O 2.93Å; H129-Y135 VanDerWaalsContact CB-CB 3.49Å; H129-Y135 HydrophobicContact CB-CD1 3.71Å; H129-Y135 HydrophobicContact CB-CG 3.68Å; H129-Y135 AromaticContact CD2-CD1 3.62Å; H129-Y135 AromaticContact CD2-CE1 3.63Å; H129-Y135 AromaticContact CG-CD1 3.86Å; H129-Y135 AromaticContact CG-CG 3.92Å; Y132-Y135 HydrophobicContact CD2-CD2 4.17Å; Y132-Y135 HydrophobicContact CD2-CE2 4.26Å; Y132-Y135 HydrophobicContact CG-CD2 4.43Å; Y135-R139 HydrophobicContact CD2-CB 4.43Å; Y135-R139 HydrophobicContact CE1-CB 4.11Å; Y135-R139 HydrophobicContact CE2-CB 3.83Å; Y135-R139 VanDerWaalsContact CE2-CZ 3.49Å; Y135-R139 PolarHBondContact OH-O 3.21Å; Y135-Q140 HydrophobicContact CD1-CB 4.36Å; Y135-Q140 HydrophobicContact CE1-CB 3.77Å; Y135-Q143 PolarHBondContact OH-OE1 2.95Å; Y135-E144 WeakPolarHBondContact CE1-OE1 2.97Å
136D94.6Very high91Very high6 Ų673 Ų733%0.03237%0.365CS..EExtended strand (participates in β ladder)trans-145.9157.5-174.165.163.5000112V124 V125 K126 L138 R139 Q140V124-D136 HydrophobicContact CG1-CB 3.77Å; V125-D136 WeakPolarHBondContact O-CA 3.37Å; V125-D136 WeakPolarHBondContact O-CB 3.24Å; K126-D136 HydrophobicContact CD-CB 4.16Å; D136-L138 PolarHBondContact O-N 3.46Å; D136-L138 WeakPolarHBondContact OD1-CB 3.14Å; D136-L138 PolarHBondContact OD1-N 3.38Å; D136-L138 VanDerWaalsContact OD1-N 3.13Å; D136-R139 PolarHBondContact O-N 3.2Å; D136-R139 WeakPolarHBondContact OD1-CG 3.32Å; D136-R139 PolarHBondContact OD1-N 3.32Å; D136-R139 VanDerWaalsContact OD2-CD 3.32Å; D136-R139 WeakPolarHBondContact OD2-CD 3.32Å; D136-Q140 PolarHBondContact O-N 2.98Å
137E95.8Very high90.9Very high37 Ų3769.1 Ų69.117%0.17335%0.351CS..Hα-helixtrans-61.1-28-176.6-71.2-69.9157.600112.4I117 V125 C127 M141 H149I117-E137 HydrophobicContact CB-CB 4.26Å; I117-E137 HydrophobicContact CG1-CB 4.25Å; I117-E137 HydrophobicContact CG2-CB 4.04Å; V125-E137 HydrophobicContact CB-CB 4.39Å; V125-E137 HydrophobicContact CB-CG 3.87Å; V125-E137 HydrophobicContact CG1-CG 3.93Å; V125-E137 WeakPolarHBondContact O-CB 3.24Å; V125-E137 WeakPolarHBondContact O-CG 3.42Å; V125-E137 PolarHBondContact O-N 2.8Å; C127-E137 HydrophobicContact CB-CG 4.11Å; C127-E137 WeakPolarHBondContact CB-OE1 3.19Å; E137-M141 WeakPolarHBondContact O-CB 3.28Å; E137-M141 PolarHBondContact O-N 3.3Å; E137-H149 IonicContact OE2-CE1 2.6Å; E137-H149 IonicContact OE2-ND1 3.61Å; E137-H149 PolarHBondContact OE2-ND1 3.27Å; E137-H149 VanDerWaalsContact OE2-ND1 3.17Å
138L96.3Very high91Very high4 Ų477.1 Ų77.12%0.02139%0.387CS..Hα-helixtrans-70.4-48.3178.6-179.967.2000110.1I112 I117 V124 D136 Q140 M141 L142 F166 I182 Y185I112-L138 HydrophobicContact CG2-CD1 4.4Å; I117-L138 HydrophobicContact CG2-CB 3.97Å; I117-L138 HydrophobicContact CG2-CD1 4.26Å; V124-L138 HydrophobicContact CG1-CB 3.54Å; V124-L138 HydrophobicContact CG2-CB 4.44Å; V124-L138 HydrophobicContact CG2-CD2 4.19Å; D136-L138 PolarHBondContact O-N 3.46Å; D136-L138 WeakPolarHBondContact OD1-CB 3.14Å; D136-L138 PolarHBondContact OD1-N 3.38Å; D136-L138 VanDerWaalsContact OD1-N 3.13Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-M141 HydrophobicContact CD1-CE 3.77Å; L138-M141 PolarHBondContact O-N 2.75Å; L138-L142 HydrophobicContact CG-CD1 4.21Å; L138-L142 WeakPolarHBondContact O-CB 2.95Å; L138-L142 WeakPolarHBondContact O-CG 3.14Å; L138-L142 PolarHBondContact O-N 3.09Å; L138-F166 HydrophobicContact CD1-CE1 4.36Å; L138-F166 HydrophobicContact CD1-CZ 4.14Å; L138-I182 HydrophobicContact CD1-CD1 4.12Å; L138-I182 HydrophobicContact CD2-CG1 4.4Å; L138-Y185 HydrophobicContact CD2-CD2 4.41Å
139R94.1Very high91.3Very high26 Ų2669 Ų6910%0.09835%0.351CS..Hα-helixtrans-62.9-41.8176.3-69.6177.366.5-164.7-2.2111.2D134 Y135 D136 M141 L142 Q143 Y178D134-R139 PolarHBondContact O-NH1 3.38Å; Y135-R139 HydrophobicContact CD2-CB 4.43Å; Y135-R139 HydrophobicContact CE1-CB 4.11Å; Y135-R139 HydrophobicContact CE2-CB 3.83Å; Y135-R139 VanDerWaalsContact CE2-CZ 3.49Å; Y135-R139 PolarHBondContact OH-O 3.21Å; D136-R139 PolarHBondContact O-N 3.2Å; D136-R139 WeakPolarHBondContact OD1-CG 3.32Å; D136-R139 PolarHBondContact OD1-N 3.32Å; D136-R139 VanDerWaalsContact OD2-CD 3.32Å; D136-R139 WeakPolarHBondContact OD2-CD 3.32Å; R139-M141 PolarHBondContact O-N 3.25Å; R139-L142 PolarHBondContact O-N 2.98Å; R139-L142 VanDerWaalsContact O-N 3.11Å; R139-Q143 WeakPolarHBondContact O-CB 3.33Å; R139-Q143 WeakPolarHBondContact O-CG 3.19Å; R139-Q143 PolarHBondContact O-N 3.41Å; R139-Y178 VanDerWaalsContact CZ-CZ 3.46Å; R139-Y178 VanDerWaalsContact CZ-OH 3.3Å; R139-Y178 PolarHBondContact NH2-OH 2.78Å
140Q94.9Very high91.6Very high35 Ų3567.7 Ų67.716%0.16435%0.345CS..Hα-helixtrans-57.2-50.7174.1-173.2160.337.300111.6C127 Y135 D136 L138 L142 Q143 E144C127-Q140 PolarHBondContact SG-OE1 2.92Å; C127-Q140 VanDerWaalsContact SG-OE1 3.42Å; Y135-Q140 HydrophobicContact CD1-CB 4.36Å; Y135-Q140 HydrophobicContact CE1-CB 3.77Å; D136-Q140 PolarHBondContact O-N 2.98Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-L142 PolarHBondContact O-N 3Å; Q140-Q143 PolarHBondContact O-N 3.16Å; Q140-E144 HydrophobicContact CG-CB 4.22Å; Q140-E144 HydrophobicContact CG-CG 4.33Å; Q140-E144 WeakPolarHBondContact CG-OE2 3.47Å; Q140-E144 PolarHBondContact NE2-OE2 3.09Å; Q140-E144 WeakPolarHBondContact O-CB 3.48Å; Q140-E144 PolarHBondContact O-N 3.39Å
141M96Very high92.2Very high0 Ų064.6 Ų64.60%032%0.32CS..Hα-helixtrans-60.4-31.5176.3179.4-87.6-6500113.2I112 I117 E137 L138 R139 H149 Y150 V152 R158 F163I112-M141 HydrophobicContact CD1-CE 3.76Å; I112-M141 HydrophobicContact CG1-CE 4.06Å; I117-M141 HydrophobicContact CD1-CB 3.71Å; I117-M141 HydrophobicContact CD1-CE 4.02Å; I117-M141 HydrophobicContact CD1-CG 3.69Å; E137-M141 WeakPolarHBondContact O-CB 3.28Å; E137-M141 PolarHBondContact O-N 3.3Å; L138-M141 HydrophobicContact CD1-CE 3.77Å; L138-M141 PolarHBondContact O-N 2.75Å; R139-M141 PolarHBondContact O-N 3.25Å; M141-H149 HydrophobicContact CB-CB 4.03Å; M141-H149 HydrophobicContact CG-CB 4.04Å; M141-H149 WeakPolarHBondContact CG-O 3.42Å; M141-Y150 WeakPolarHBondContact O-CD2 3.39Å; M141-V152 HydrophobicContact CG-CG1 3.91Å; M141-V152 HydrophobicContact SD-CG1 4.17Å; M141-R158 PolarHBondContact O-NH1 2.9Å; M141-R158 PolarHBondContact O-NH2 3.06Å; M141-R158 VanDerWaalsContact O-NH2 3.11Å; M141-R158 PolarHBondContact SD-NH1 3.28Å; M141-F163 HydrophobicContact SD-CZ 4.46Å
142L95.9Very high92.8Very high0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-78.3-34.8-180-71.3174000113.1L138 R139 Q140 R158 F163 F166 K167 C170L138-L142 HydrophobicContact CG-CD1 4.21Å; L138-L142 WeakPolarHBondContact O-CB 2.95Å; L138-L142 WeakPolarHBondContact O-CG 3.14Å; L138-L142 PolarHBondContact O-N 3.09Å; R139-L142 PolarHBondContact O-N 2.98Å; R139-L142 VanDerWaalsContact O-N 3.11Å; Q140-L142 PolarHBondContact O-N 3Å; L142-R158 PolarHBondContact O-NH2 3.23Å; L142-F163 HydrophobicContact CD2-CE1 4.29Å; L142-F163 HydrophobicContact CD2-CE2 4.29Å; L142-F163 HydrophobicContact CD2-CZ 3.66Å; L142-F166 HydrophobicContact CD1-CE1 4.45Å; L142-F166 HydrophobicContact CD2-CD1 4.28Å; L142-F166 HydrophobicContact CD2-CE1 4.07Å; L142-K167 HydrophobicContact CB-CG 4.45Å; L142-K167 HydrophobicContact CD2-CB 4.01Å; L142-K167 HydrophobicContact CD2-CD 4.44Å; L142-K167 HydrophobicContact CD2-CG 4.12Å; L142-K167 WeakPolarHBondContact O-CE 3.43Å; L142-K167 PolarHBondContact O-NZ 2.9Å; L142-C170 HydrophobicContact CD1-CB 3.39Å
143Q93.5Very high93.3Very high62 Ų6256.1 Ų56.129%0.2928%0.282SS..Hα-helixtrans-112.5-33-166.8-59-169.6-85.200114.6Y135 R139 Q140 L171Y135-Q143 PolarHBondContact OH-OE1 2.95Å; R139-Q143 WeakPolarHBondContact O-CB 3.33Å; R139-Q143 WeakPolarHBondContact O-CG 3.19Å; R139-Q143 PolarHBondContact O-N 3.41Å; Q140-Q143 PolarHBondContact O-N 3.16Å; Q143-L171 VanDerWaalsContact CD-CD2 3.41Å; Q143-L171 HydrophobicContact CG-CD2 3.71Å
144E93.6Very high94.1Very high51 Ų5150.5 Ų50.524%0.23825%0.248CC..  trans-96.9107.2-171.9-69.1175.9-141.100111.6H129 Y135 Q140 D146 S147 Y150H129-E144 IonicContact CD2-OE1 2.82Å; H129-E144 PolarHBondContact CD2-OE1 3.23Å; H129-E144 IonicContact NE2-OE1 2.7Å; H129-E144 PolarHBondContact NE2-OE1 3.11Å; Y135-E144 WeakPolarHBondContact CE1-OE1 2.97Å; Q140-E144 HydrophobicContact CG-CB 4.22Å; Q140-E144 HydrophobicContact CG-CG 4.33Å; Q140-E144 WeakPolarHBondContact CG-OE2 3.47Å; Q140-E144 PolarHBondContact NE2-OE2 3.09Å; Q140-E144 WeakPolarHBondContact O-CB 3.48Å; Q140-E144 PolarHBondContact O-N 3.39Å; E144-D146 PolarHBondContact O-N 3.39Å; E144-S147 VanDerWaalsContact O-CB 3.28Å; E144-S147 WeakPolarHBondContact O-CB 3.42Å; E144-S147 PolarHBondContact O-N 2.82Å; E144-S147 VanDerWaalsContact O-N 3.11Å; E144-Y150 VanDerWaalsContact C-CD2 3.5Å; E144-Y150 WeakPolarHBondContact O-CB 3.47Å; E144-Y150 WeakPolarHBondContact O-CD2 3.39Å
145E93.4Very high94.7Very high124 Ų12452 Ų5258%0.57925%0.25SS*.THydrogen-bonded Turntrans-64-26.7-177.3-49.8-148133.400113.8S147 Y150E145-S147 VanDerWaalsContact C-N 3.33Å; E145-Y150 HydrophobicContact CB-CD1 4.35Å; E145-Y150 HydrophobicContact CB-CE1 4.04Å; E145-Y150 HydrophobicContact CB-CE2 4.26Å; E145-Y150 HydrophobicContact CG-CE1 4.07Å; E145-Y150 HydrophobicContact CG-CE2 3.93Å; E145-Y150 PolarHBondContact OE1-OH 3.38Å
146D91.9Very high94.9Very high168 Ų16857.6 Ų57.690%0.89828%0.278SS*.THydrogen-bonded Turntrans-85.9-4.8179.9-62.4-38.3000113E144E144-D146 PolarHBondContact O-N 3.39Å
147S92.3Very high95Very high17 Ų1759.8 Ų59.812%0.11929%0.288CS..SBendtrans-66.5139.8175.6174.10000111.3E144 E145 H149 Y150E144-S147 VanDerWaalsContact O-CB 3.28Å; E144-S147 WeakPolarHBondContact O-CB 3.42Å; E144-S147 PolarHBondContact O-N 2.82Å; E144-S147 VanDerWaalsContact O-N 3.11Å; E145-S147 VanDerWaalsContact C-N 3.33Å; S147-H149 PolarHBondContact O-N 3.07Å; S147-H149 VanDerWaalsContact O-N 3.11Å; S147-H149 PolarHBondContact OG-N 3.08Å; S147-Y150 WeakPolarHBondContact O-CB 3.37Å; S147-Y150 PolarHBondContact O-N 3.22Å
148E91.1Very high95.1Very high187 Ų18759 Ų5987%0.87428%0.284SS*.THydrogen-bonded Turntrans-54.3-32.8174.1-60.8-171.6165.500112.3
149H95.5Very high95.1Very high41 Ų4163.8 Ų63.819%0.1930%0.304CS..THydrogen-bonded Turntrans-87.7-7.6-177.3-63.8139.9000114.1C115 I117 E137 M141 S147 Y151 V152C115-H149 PolarHBondContact O-NE2 2.95Å; C115-H149 VanDerWaalsContact O-NE2 3.16Å; I117-H149 HydrophobicContact CD1-CB 4.02Å; I117-H149 HydrophobicContact CG1-CB 4.29Å; E137-H149 IonicContact OE2-CE1 2.6Å; E137-H149 IonicContact OE2-ND1 3.61Å; E137-H149 PolarHBondContact OE2-ND1 3.27Å; E137-H149 VanDerWaalsContact OE2-ND1 3.17Å; M141-H149 HydrophobicContact CB-CB 4.03Å; M141-H149 HydrophobicContact CG-CB 4.04Å; M141-H149 WeakPolarHBondContact CG-O 3.42Å; S147-H149 PolarHBondContact O-N 3.07Å; S147-H149 VanDerWaalsContact O-N 3.11Å; S147-H149 PolarHBondContact OG-N 3.08Å; H149-Y151 PolarHBondContact O-N 3.35Å; H149-V152 WeakPolarHBondContact O-CB 3.18Å; H149-V152 WeakPolarHBondContact O-CG1 3.36Å; H149-V152 PolarHBondContact O-N 2.86Å
150Y96.7Very high95.3Very high22 Ų2263.2 Ų63.29%0.08630%0.302CS..THydrogen-bonded Turntrans-53.4-38.6-171.5-172.6-108.9000112.8M141 E144 E145 S147 R158M141-Y150 WeakPolarHBondContact O-CD2 3.39Å; E144-Y150 VanDerWaalsContact C-CD2 3.5Å; E144-Y150 WeakPolarHBondContact O-CB 3.47Å; E144-Y150 WeakPolarHBondContact O-CD2 3.39Å; E145-Y150 HydrophobicContact CB-CD1 4.35Å; E145-Y150 HydrophobicContact CB-CE1 4.04Å; E145-Y150 HydrophobicContact CB-CE2 4.26Å; E145-Y150 HydrophobicContact CG-CE1 4.07Å; E145-Y150 HydrophobicContact CG-CE2 3.93Å; E145-Y150 PolarHBondContact OE1-OH 3.38Å; S147-Y150 WeakPolarHBondContact O-CB 3.37Å; S147-Y150 PolarHBondContact O-N 3.22Å; Y150-R158 VanDerWaalsContact CD2-NH2 3.34Å; Y150-R158 WeakPolarHBondContact O-CD 3.34Å; Y150-R158 PolarHBondContact O-NE 3.11Å; Y150-R158 PolarHBondContact O-NH1 2.94Å
151Y96.6Very high95.5Very high110 Ų11061.5 Ų61.543%0.43130%0.295SS..THydrogen-bonded Turntrans-98.516-179.7-63.9-61.5000115.2H149 V153 G154 K155H149-Y151 PolarHBondContact O-N 3.35Å; Y151-V153 VanDerWaalsContact C-N 3.27Å; Y151-V153 PolarHBondContact O-N 3.15Å; Y151-G154 WeakPolarHBondContact O-CA 3.47Å; Y151-G154 PolarHBondContact O-N 2.93Å; Y151-K155 HydrophobicContact CD1-CB 4.3Å; Y151-K155 HydrophobicContact CD1-CD 4.36Å; Y151-K155 HydrophobicContact CD1-CG 3.34Å; Y151-K155 HydrophobicContact CE1-CB 4.45Å; Y151-K155 HydrophobicContact CE1-CD 4.27Å; Y151-K155 HydrophobicContact CE1-CG 3.5Å; Y151-K155 HydrophobicContact CG-CG 3.96Å
152V96.6Very high95.6Very high39 Ų3961.5 Ų61.524%0.23630%0.295CS..THydrogen-bonded Turntrans-57.8-38.6-178.373.50000112.9P111 I112 C115 I117 M141 H149 G154P111-V152 HydrophobicContact CB-CG2 3.96Å; P111-V152 VanDerWaalsContact CB-O 3.31Å; P111-V152 WeakPolarHBondContact CB-O 3.25Å; I112-V152 HydrophobicContact CG1-CG1 4.45Å; C115-V152 HydrophobicContact CB-CG2 3.48Å; C115-V152 VanDerWaalsContact CB-CG2 3.48Å; C115-V152 VanDerWaalsContact SG-CG2 3.58Å; I117-V152 HydrophobicContact CD1-CG1 4.13Å; M141-V152 HydrophobicContact CG-CG1 3.91Å; M141-V152 HydrophobicContact SD-CG1 4.17Å; H149-V152 WeakPolarHBondContact O-CB 3.18Å; H149-V152 WeakPolarHBondContact O-CG1 3.36Å; H149-V152 PolarHBondContact O-N 2.86Å; V152-G154 VanDerWaalsContact C-N 3.32Å
153V95.5Very high95.7Very high8 Ų861.7 Ų61.75%0.04830%0.295CS..THydrogen-bonded Turntrans-77.6-20.4177173.50000112L108 I112 Y151 E157 F163L108-V153 HydrophobicContact CD1-CG1 4.25Å; L108-V153 HydrophobicContact CG-CG1 4.12Å; L108-V153 WeakPolarHBondContact O-CG1 3.17Å; I112-V153 HydrophobicContact CD1-CG2 3.98Å; I112-V153 HydrophobicContact CG1-CG2 3.78Å; Y151-V153 VanDerWaalsContact C-N 3.27Å; Y151-V153 PolarHBondContact O-N 3.15Å; V153-E157 HydrophobicContact CG1-CB 3.75Å; V153-E157 WeakPolarHBondContact O-CB 3.36Å; V153-E157 VanDerWaalsContact O-CG 3.32Å; V153-E157 WeakPolarHBondContact O-CG 3.4Å; V153-F163 HydrophobicContact CB-CD2 4.33Å; V153-F163 HydrophobicContact CB-CE2 4.05Å; V153-F163 HydrophobicContact CG1-CD2 3.77Å; V153-F163 HydrophobicContact CG1-CE2 4.01Å; V153-F163 HydrophobicContact CG2-CD2 4.43Å; V153-F163 HydrophobicContact CG2-CE2 3.95Å
154G96.1Very high95.9Very high17 Ų1760.3 Ų60.318%0.17529%0.287CS..  trans109147-178.900000113.8Y151 V152 M156 R158Y151-G154 WeakPolarHBondContact O-CA 3.47Å; Y151-G154 PolarHBondContact O-N 2.93Å; V152-G154 VanDerWaalsContact C-N 3.32Å; G154-M156 PolarHBondContact O-N 3.04Å; G154-R158 VanDerWaalsContact O-CG 3.25Å; G154-R158 WeakPolarHBondContact O-CG 3.31Å; G154-R158 PolarHBondContact O-N 3.21Å
155K96.1Very high96.1Very high133 Ų13358 Ų5858%0.57828%0.276SS*.THydrogen-bonded Turntrans-62-39.5-176.7-75.9-176.9178-173.40113.5Y151Y151-K155 HydrophobicContact CD1-CB 4.3Å; Y151-K155 HydrophobicContact CD1-CD 4.36Å; Y151-K155 HydrophobicContact CD1-CG 3.34Å; Y151-K155 HydrophobicContact CE1-CB 4.45Å; Y151-K155 HydrophobicContact CE1-CD 4.27Å; Y151-K155 HydrophobicContact CE1-CG 3.5Å; Y151-K155 HydrophobicContact CG-CG 3.96Å
156M96.7Very high96.4Very high123 Ų12352 Ų5261%0.60625%0.249SC*.THydrogen-bonded Turntrans-85.1-38.1-178.2-63.1-56.2174.300110.7G154 R158 K159 E160G154-M156 PolarHBondContact O-N 3.04Å; M156-R158 VanDerWaalsContact C-N 3.28Å; M156-R158 PolarHBondContact O-N 3.35Å; M156-K159 WeakPolarHBondContact O-CA 3.35Å; M156-K159 WeakPolarHBondContact O-CB 3.46Å; M156-K159 PolarHBondContact O-N 3.16Å; M156-K159 HydrophobicContact SD-CD 4.42Å; M156-E160 PolarHBondContact O-N 3.37Å
157E96.8Very high96.7Very high51 Ų5145.2 Ų45.224%0.23821%0.211CC..G310 helixtrans-58.2-38.1176-75.466.1-147.400112.2K103 L108 V153 K159 E160 F163K103-E157 IonicContact NZ-OE1 2.78Å; K103-E157 PolarHBondContact NZ-OE1 3.36Å; L108-E157 HydrophobicContact CD1-CB 3.59Å; L108-E157 HydrophobicContact CD1-CG 3.41Å; L108-E157 VanDerWaalsContact CD1-CG 3.41Å; V153-E157 HydrophobicContact CG1-CB 3.75Å; V153-E157 WeakPolarHBondContact O-CB 3.36Å; V153-E157 VanDerWaalsContact O-CG 3.32Å; V153-E157 WeakPolarHBondContact O-CG 3.4Å; E157-K159 PolarHBondContact O-N 3.15Å; E157-E160 VanDerWaalsContact O-CB 3.26Å; E157-E160 WeakPolarHBondContact O-CB 3.34Å; E157-E160 PolarHBondContact O-N 3.11Å; E157-E160 VanDerWaalsContact O-N 3.09Å; E157-F163 VanDerWaalsContact O-CB 3.27Å; E157-F163 WeakPolarHBondContact O-CB 3.42Å
158R97Very high96.9Very high22 Ų2245 Ų458%0.08321%0.208CC..G310 helixtrans-62.2-24.7173.5-72.8176.677.5844.7113.9M141 L142 Y150 G154 M156 F163M141-R158 PolarHBondContact O-NH1 2.9Å; M141-R158 PolarHBondContact O-NH2 3.06Å; M141-R158 VanDerWaalsContact O-NH2 3.11Å; M141-R158 PolarHBondContact SD-NH1 3.28Å; L142-R158 PolarHBondContact O-NH2 3.23Å; Y150-R158 VanDerWaalsContact CD2-NH2 3.34Å; Y150-R158 WeakPolarHBondContact O-CD 3.34Å; Y150-R158 PolarHBondContact O-NE 3.11Å; Y150-R158 PolarHBondContact O-NH1 2.94Å; G154-R158 VanDerWaalsContact O-CG 3.25Å; G154-R158 WeakPolarHBondContact O-CG 3.31Å; G154-R158 PolarHBondContact O-N 3.21Å; M156-R158 VanDerWaalsContact C-N 3.28Å; M156-R158 PolarHBondContact O-N 3.35Å; R158-F163 VanDerWaalsContact CA-CD1 3.47Å; R158-F163 HydrophobicContact CB-CD1 4.01Å; R158-F163 HydrophobicContact CB-CE1 3.94Å; R158-F163 HydrophobicContact CB-CZ 4.43Å; R158-F163 HydrophobicContact CG-CD1 4.19Å; R158-F163 HydrophobicContact CG-CE1 3.77Å; R158-F163 HydrophobicContact CG-CE2 4.17Å; R158-F163 HydrophobicContact CG-CZ 3.76Å; R158-F163 WeakPolarHBondContact O-CD1 3.12Å
159K97.4Very high97.2Very high104 Ų10436.2 Ų36.245%0.45217%0.167SC..G310 helixtrans-81.3-19177.6-60.6-179-179.8-178.40112.2P100 M156 E157 R164P100-K159 HydrophobicContact CG-CB 4.34Å; M156-K159 WeakPolarHBondContact O-CA 3.35Å; M156-K159 WeakPolarHBondContact O-CB 3.46Å; M156-K159 PolarHBondContact O-N 3.16Å; M156-K159 HydrophobicContact SD-CD 4.42Å; E157-K159 PolarHBondContact O-N 3.15Å; K159-R164 PolarHBondContact O-NE 2.97Å; K159-R164 PolarHBondContact O-NH2 3.48Å
160E98.2Very high97.3Very high13 Ų1334.3 Ų34.36%0.06116%0.159CC..SBendtrans-62.2141.6-178.9-69.7-79.7155.300111.5P100 T102 K103 M156 E157 L162 F163 R164P100-E160 WeakPolarHBondContact CB-OE1 3.16Å; P100-E160 CarbonylContact O-C 3.53Å; P100-E160 VanDerWaalsContact O-CA 3.29Å; P100-E160 WeakPolarHBondContact O-CA 3.4Å; T102-E160 PolarHBondContact N-OE2 3.25Å; T102-E160 PolarHBondContact OG1-OE1 2.94Å; T102-E160 PolarHBondContact OG1-OE2 3.04Å; K103-E160 HydrophobicContact CG-CB 4.31Å; K103-E160 HydrophobicContact CG-CG 3.65Å; K103-E160 PolarHBondContact N-OE2 3.03Å; M156-E160 PolarHBondContact O-N 3.37Å; E157-E160 VanDerWaalsContact O-CB 3.26Å; E157-E160 WeakPolarHBondContact O-CB 3.34Å; E157-E160 PolarHBondContact O-N 3.11Å; E157-E160 VanDerWaalsContact O-N 3.09Å; E160-L162 PolarHBondContact O-N 3.49Å; E160-F163 PolarHBondContact O-N 2.89Å; E160-R164 PolarHBondContact O-N 2.91Å
161F98.4Very high97.2Very high0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-56.8-37.5179.8179.9-121.9000111.8V99 P100 C101 F163 R164 L165 Y193 L196 I197 V214 Y239 I241 L252V99-F161 HydrophobicContact CG1-CB 3.85Å; V99-F161 HydrophobicContact CG1-CD2 4.47Å; P100-F161 PolarHBondContact O-N 3Å; C101-F161 HydrophobicContact CB-CB 4.19Å; F161-F163 VanDerWaalsContact C-N 3.34Å; F161-F163 PolarHBondContact O-N 3.2Å; F161-R164 PolarHBondContact O-N 2.72Å; F161-L165 WeakPolarHBondContact O-CB 3.22Å; F161-L165 PolarHBondContact O-N 3.02Å; F161-Y193 AromaticContact CD1-CD2 3.99Å; F161-Y193 HydrophobicContact CD1-CD2 3.99Å; F161-Y193 AromaticContact CD1-CE2 3.65Å; F161-Y193 HydrophobicContact CD1-CE2 3.65Å; F161-Y193 HydrophobicContact CE1-CD2 4.22Å; F161-Y193 HydrophobicContact CE1-CE2 4.3Å; F161-L196 HydrophobicContact CE1-CD1 4.48Å; F161-L196 HydrophobicContact CZ-CD1 4.34Å; F161-I197 HydrophobicContact CD1-CD1 3.83Å; F161-I197 HydrophobicContact CD1-CG1 4.17Å; F161-I197 HydrophobicContact CE1-CD1 3.78Å; F161-I197 HydrophobicContact CE1-CG1 4.14Å; F161-V214 HydrophobicContact CB-CG1 4.41Å; F161-V214 HydrophobicContact CB-CG2 4.44Å; F161-V214 HydrophobicContact CD1-CG1 4.39Å; F161-V214 HydrophobicContact CD1-CG2 4.05Å; F161-V214 HydrophobicContact CD2-CG1 3.7Å; F161-V214 HydrophobicContact CE2-CG1 4.01Å; F161-V214 HydrophobicContact CG-CB 4.45Å; F161-V214 HydrophobicContact CG-CG1 3.91Å; F161-V214 HydrophobicContact CG-CG2 4.16Å; F161-Y239 HydrophobicContact CD2-CD1 4.36Å; F161-Y239 HydrophobicContact CD2-CE1 4.39Å; F161-Y239 HydrophobicContact CD2-CG 4.49Å; F161-Y239 HydrophobicContact CE2-CD1 4.13Å; F161-Y239 AromaticContact CE2-CD2 3.77Å; F161-Y239 HydrophobicContact CE2-CD2 3.77Å; F161-Y239 HydrophobicContact CE2-CE1 4.4Å; F161-Y239 HydrophobicContact CE2-CE2 4.04Å; F161-Y239 AromaticContact CE2-CG 3.81Å; F161-Y239 HydrophobicContact CE2-CG 3.81Å; F161-I241 HydrophobicContact CE1-CD1 4.43Å; F161-I241 HydrophobicContact CZ-CD1 4.14Å; F161-L252 HydrophobicContact CZ-CD2 4.1Å
162L98.2Very high97.1Very high0 Ų028.1 Ų28.10%013%0.134CC..Hα-helixtrans-58-44.6176.2179.256.7000112.1K103 S105 M106 L108 F109 E160 F166 T189 Y193K103-L162 HydrophobicContact CB-CD2 4.33Å; S105-L162 WeakPolarHBondContact O-CD2 3.49Å; M106-L162 HydrophobicContact CE-CD1 3.47Å; M106-L162 VanDerWaalsContact CE-CD1 3.47Å; M106-L162 HydrophobicContact CE-CD2 4.15Å; M106-L162 HydrophobicContact CE-CG 4.45Å; M106-L162 HydrophobicContact SD-CD1 4.12Å; M106-L162 HydrophobicContact SD-CD2 4.5Å; L108-L162 HydrophobicContact CB-CD2 4.44Å; L108-L162 HydrophobicContact CD2-CB 4.13Å; L108-L162 HydrophobicContact CD2-CD2 3.94Å; L108-L162 HydrophobicContact CD2-CG 3.97Å; F109-L162 HydrophobicContact CE2-CD1 4.36Å; F109-L162 HydrophobicContact CE2-CD2 4.49Å; F109-L162 HydrophobicContact CE2-CG 4.18Å; F109-L162 HydrophobicContact CZ-CD1 4.47Å; F109-L162 HydrophobicContact CZ-CG 4.1Å; E160-L162 PolarHBondContact O-N 3.49Å; L162-F166 PolarHBondContact O-N 3.34Å; L162-F166 VanDerWaalsContact O-N 3.16Å; L162-T189 HydrophobicContact CD1-CG2 3.61Å; L162-Y193 HydrophobicContact CB-CD2 4.11Å; L162-Y193 HydrophobicContact CB-CE2 3.7Å; L162-Y193 HydrophobicContact CD1-CD1 4.28Å; L162-Y193 HydrophobicContact CD1-CD2 3.73Å; L162-Y193 HydrophobicContact CD1-CE2 4.14Å; L162-Y193 HydrophobicContact CD1-CG 3.8Å; L162-Y193 HydrophobicContact CG-CE2 4.46Å
163F98.4Very high96.9Very high3 Ų326.4 Ų26.41%0.01313%0.125CC..Hα-helixtrans-69.5-43.8176.6-178.1-89.2000111.8L108 F109 M141 L142 V153 E157 R158 E160 F161 L165 F166 K167L108-F163 HydrophobicContact CD2-CB 4.09Å; F109-F163 AromaticContact CE1-CD2 3.96Å; F109-F163 HydrophobicContact CE1-CD2 3.96Å; M141-F163 HydrophobicContact SD-CZ 4.46Å; L142-F163 HydrophobicContact CD2-CE1 4.29Å; L142-F163 HydrophobicContact CD2-CE2 4.29Å; L142-F163 HydrophobicContact CD2-CZ 3.66Å; V153-F163 HydrophobicContact CB-CD2 4.33Å; V153-F163 HydrophobicContact CB-CE2 4.05Å; V153-F163 HydrophobicContact CG1-CD2 3.77Å; V153-F163 HydrophobicContact CG1-CE2 4.01Å; V153-F163 HydrophobicContact CG2-CD2 4.43Å; V153-F163 HydrophobicContact CG2-CE2 3.95Å; E157-F163 VanDerWaalsContact O-CB 3.27Å; E157-F163 WeakPolarHBondContact O-CB 3.42Å; R158-F163 VanDerWaalsContact CA-CD1 3.47Å; R158-F163 HydrophobicContact CB-CD1 4.01Å; R158-F163 HydrophobicContact CB-CE1 3.94Å; R158-F163 HydrophobicContact CB-CZ 4.43Å; R158-F163 HydrophobicContact CG-CD1 4.19Å; R158-F163 HydrophobicContact CG-CE1 3.77Å; R158-F163 HydrophobicContact CG-CE2 4.17Å; R158-F163 HydrophobicContact CG-CZ 3.76Å; R158-F163 WeakPolarHBondContact O-CD1 3.12Å; E160-F163 PolarHBondContact O-N 2.89Å; F161-F163 VanDerWaalsContact C-N 3.34Å; F161-F163 PolarHBondContact O-N 3.2Å; F163-L165 VanDerWaalsContact C-N 3.28Å; F163-L165 PolarHBondContact O-N 3.46Å; F163-F166 WeakPolarHBondContact O-CB 3.36Å; F163-F166 PolarHBondContact O-N 3.35Å; F163-F166 VanDerWaalsContact O-N 3.15Å; F163-K167 HydrophobicContact CE1-CB 4.35Å; F163-K167 HydrophobicContact CE1-CD 4.38Å; F163-K167 PolarHBondContact O-N 3.33Å
164R98.1Very high96.7Very high34 Ų3427.8 Ų27.813%0.12814%0.137CC..Hα-helixtrans-58.6-42.4178.4-65.3-172.5-166.7-154.11.1111.3E97 K159 E160 F161 K167 H168E97-R164 VanDerWaalsContact CD-NH1 3.27Å; E97-R164 IonicContact OE1-CZ 2.7Å; E97-R164 VanDerWaalsContact OE1-CZ 3.24Å; E97-R164 IonicContact OE1-NH1 3.24Å; E97-R164 PolarHBondContact OE1-NH1 3.2Å; E97-R164 IonicContact OE1-NH2 2.84Å; E97-R164 PolarHBondContact OE1-NH2 3.28Å; E97-R164 IonicContact OE2-NH1 2.87Å; E97-R164 PolarHBondContact OE2-NH1 2.97Å; K159-R164 PolarHBondContact O-NE 2.97Å; K159-R164 PolarHBondContact O-NH2 3.48Å; E160-R164 PolarHBondContact O-N 2.91Å; F161-R164 PolarHBondContact O-N 2.72Å; R164-K167 PolarHBondContact O-N 3.32Å; R164-H168 WeakPolarHBondContact O-CB 3.36Å; R164-H168 PolarHBondContact O-CD2 2.75Å; R164-H168 PolarHBondContact O-N 2.88Å
165L98Very high96.5Very high1 Ų131.6 Ų31.61%0.00515%0.153CC..Hα-helixtrans-62.2-44.5175.7-177.963.5000111.9F161 F163 H168 L169 T189 I192 Y193 L252F161-L165 WeakPolarHBondContact O-CB 3.22Å; F161-L165 PolarHBondContact O-N 3.02Å; F163-L165 VanDerWaalsContact C-N 3.28Å; F163-L165 PolarHBondContact O-N 3.46Å; L165-H168 PolarHBondContact O-N 3.21Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 3.36Å; L165-L169 VanDerWaalsContact O-N 3.16Å; L165-T189 HydrophobicContact CB-CG2 4.38Å; L165-T189 HydrophobicContact CD2-CG2 4.08Å; L165-T189 HydrophobicContact CG-CG2 4.18Å; L165-I192 HydrophobicContact CD1-CG2 4Å; L165-I192 HydrophobicContact CD2-CB 4.01Å; L165-I192 HydrophobicContact CD2-CG2 3.75Å; L165-I192 HydrophobicContact CG-CG2 4.45Å; L165-Y193 HydrophobicContact CD2-CD2 4.34Å; L165-L252 HydrophobicContact CD1-CD2 4.35Å
166F98.4Very high96.2Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-58.2-48.8173.9169.7-100.5000112.2F109 I112 L138 L142 L162 F163 H168 L169 C170 I182 I186 T189F109-F166 HydrophobicContact CD1-CD1 4.16Å; F109-F166 HydrophobicContact CD1-CE1 4.41Å; F109-F166 HydrophobicContact CD1-CG 4.25Å; F109-F166 HydrophobicContact CE1-CB 3.64Å; F109-F166 AromaticContact CE1-CD1 3.63Å; F109-F166 HydrophobicContact CE1-CD1 3.63Å; F109-F166 HydrophobicContact CE1-CD2 4.17Å; F109-F166 HydrophobicContact CE1-CE1 4.33Å; F109-F166 AromaticContact CE1-CG 3.54Å; F109-F166 HydrophobicContact CE1-CG 3.54Å; F109-F166 HydrophobicContact CE2-CB 4.48Å; F109-F166 HydrophobicContact CZ-CB 3.48Å; F109-F166 VanDerWaalsContact CZ-CB 3.48Å; F109-F166 HydrophobicContact CZ-CD1 4.33Å; F109-F166 HydrophobicContact CZ-CD2 4.24Å; F109-F166 AromaticContact CZ-CG 3.77Å; F109-F166 HydrophobicContact CZ-CG 3.77Å; I112-F166 HydrophobicContact CD1-CE1 4.31Å; I112-F166 HydrophobicContact CD1-CZ 4.46Å; L138-F166 HydrophobicContact CD1-CE1 4.36Å; L138-F166 HydrophobicContact CD1-CZ 4.14Å; L142-F166 HydrophobicContact CD1-CE1 4.45Å; L142-F166 HydrophobicContact CD2-CD1 4.28Å; L142-F166 HydrophobicContact CD2-CE1 4.07Å; L162-F166 PolarHBondContact O-N 3.34Å; L162-F166 VanDerWaalsContact O-N 3.16Å; F163-F166 WeakPolarHBondContact O-CB 3.36Å; F163-F166 PolarHBondContact O-N 3.35Å; F163-F166 VanDerWaalsContact O-N 3.15Å; F166-H168 VanDerWaalsContact C-N 3.33Å; F166-H168 PolarHBondContact O-N 3.06Å; F166-L169 PolarHBondContact O-N 3.1Å; F166-C170 WeakPolarHBondContact CZ-SG 3.49Å; F166-C170 PolarHBondContact O-N 2.99Å; F166-C170 PolarHBondContact O-SG 3.42Å; F166-I182 HydrophobicContact CE2-CD1 4.39Å; F166-I182 HydrophobicContact CE2-CG1 4.12Å; F166-I182 HydrophobicContact CZ-CD1 3.93Å; F166-I182 HydrophobicContact CZ-CG1 4.03Å; F166-I186 HydrophobicContact CD2-CG1 4.28Å; F166-I186 HydrophobicContact CE2-CG1 3.87Å; F166-T189 WeakPolarHBondContact CA-OG1 3.42Å; F166-T189 HydrophobicContact CB-CG2 4.02Å
167K97.9Very high96Very high25 Ų2526 Ų2611%0.10913%0.129CC..Hα-helixtrans-55.9-48.4176.7176.1168.6172.6168.30111L142 F163 R164 L169 C170 L171 E234L142-K167 HydrophobicContact CB-CG 4.45Å; L142-K167 HydrophobicContact CD2-CB 4.01Å; L142-K167 HydrophobicContact CD2-CD 4.44Å; L142-K167 HydrophobicContact CD2-CG 4.12Å; L142-K167 WeakPolarHBondContact O-CE 3.43Å; L142-K167 PolarHBondContact O-NZ 2.9Å; F163-K167 HydrophobicContact CE1-CB 4.35Å; F163-K167 HydrophobicContact CE1-CD 4.38Å; F163-K167 PolarHBondContact O-N 3.33Å; R164-K167 PolarHBondContact O-N 3.32Å; K167-L169 VanDerWaalsContact C-N 3.31Å; K167-L169 PolarHBondContact O-N 3.16Å; K167-C170 WeakPolarHBondContact O-CB 3.35Å; K167-C170 PolarHBondContact O-N 3.4Å; K167-C170 VanDerWaalsContact O-N 3.11Å; K167-L171 HydrophobicContact CG-CD1 4.09Å; K167-L171 HydrophobicContact CG-CG 4.32Å; K167-L171 WeakPolarHBondContact O-CG 3.49Å; K167-L171 PolarHBondContact O-N 3.44Å; K167-E234 WeakPolarHBondContact CE-OE1 3.27Å; K167-E234 IonicContact NZ-OE1 3.71Å; K167-E234 PolarHBondContact NZ-OE1 3.44Å
168H97.6Very high95.8Very high13 Ų1326.9 Ų26.96%0.0613%0.13CC..Hα-helixtrans-57.3-41179.1-73.5-38.6000113.5R164 L165 F166 L171 G172 F237 Y239R164-H168 WeakPolarHBondContact O-CB 3.36Å; R164-H168 PolarHBondContact O-CD2 2.75Å; R164-H168 PolarHBondContact O-N 2.88Å; L165-H168 PolarHBondContact O-N 3.21Å; F166-H168 VanDerWaalsContact C-N 3.33Å; F166-H168 PolarHBondContact O-N 3.06Å; H168-L171 PolarHBondContact O-N 2.83Å; H168-G172 PolarHBondContact O-N 3.36Å; H168-F237 HydrophobicContact CB-CD1 4.11Å; H168-F237 HydrophobicContact CB-CE1 3.45Å; H168-F237 VanDerWaalsContact CB-CE1 3.45Å; H168-F237 HydrophobicContact CB-CZ 3.95Å; H168-F237 AromaticContact CD2-CD1 3.49Å; H168-F237 VanDerWaalsContact CD2-CD1 3.49Å; H168-F237 WeakPolarHBondContact CD2-CD1 3.46Å; H168-F237 AromaticContact CD2-CE1 3.55Å; H168-F237 AromaticContact CD2-CG 3.8Å; H168-F237 AromaticContact CD2-CZ 3.87Å; H168-F237 AromaticContact CE1-CD1 3.35Å; H168-F237 WeakPolarHBondContact CE1-CD1 2.96Å; H168-F237 AromaticContact CE1-CG 3.77Å; H168-F237 AromaticContact CG-CD1 3.39Å; H168-F237 AromaticContact CG-CE1 3.25Å; H168-F237 AromaticContact CG-CZ 3.92Å; H168-F237 AromaticContact ND1-CD1 3.32Å; H168-F237 VanDerWaalsContact ND1-CD1 3.32Å; H168-F237 WeakPolarHBondContact ND1-CD1 3.34Å; H168-F237 AromaticContact ND1-CE1 3.62Å; H168-F237 AromaticContact NE2-CD1 3.47Å; H168-F237 WeakPolarHBondContact NE2-CD1 3.21Å; H168-F237 AromaticContact NE2-CG 3.54Å; H168-Y239 AromaticContact CD2-CE2 3.93Å; H168-Y239 AromaticContact NE2-CE2 3.7Å; H168-Y239 AromaticContact NE2-CZ 3.75Å; H168-Y239 PolarHBondContact NE2-OH 3.36Å
169L97.3Very high95.7Very high1 Ų127 Ų271%0.00513%0.132CC..Hα-helixtrans-69.2-37.2176.6-64.3178.2000112.5L34 W37 M39 L165 F166 K167 L171 Y185 T188 T189 I192L34-L169 HydrophobicContact CD2-CD2 4.2Å; W37-L169 HydrophobicContact CE3-CB 4.36Å; W37-L169 HydrophobicContact CE3-CD2 4.32Å; W37-L169 HydrophobicContact CZ3-CB 4.07Å; W37-L169 HydrophobicContact CZ3-CD1 4.36Å; W37-L169 HydrophobicContact CZ3-CD2 4.14Å; W37-L169 HydrophobicContact CZ3-CG 4.42Å; M39-L169 HydrophobicContact CE-CD2 4.32Å; M39-L169 HydrophobicContact SD-CD2 3.91Å; L165-L169 WeakPolarHBondContact O-CG 3.33Å; L165-L169 PolarHBondContact O-N 3.36Å; L165-L169 VanDerWaalsContact O-N 3.16Å; F166-L169 PolarHBondContact O-N 3.1Å; K167-L169 VanDerWaalsContact C-N 3.31Å; K167-L169 PolarHBondContact O-N 3.16Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-Y185 HydrophobicContact CB-CD1 4.32Å; L169-Y185 WeakPolarHBondContact O-CE1 3.5Å; L169-T188 HydrophobicContact CD1-CG2 3.91Å; L169-T189 WeakPolarHBondContact CD1-OG1 3.41Å; L169-I192 HydrophobicContact CD1-CD1 4.08Å; L169-I192 HydrophobicContact CD2-CD1 3.97Å
170C96.4Very high95.5Very high2 Ų227.1 Ų27.11%0.01414%0.137CC..Hα-helixtrans-65.6-36.8176.3-63.50000111.8L142 F166 K167 Y178L142-C170 HydrophobicContact CD1-CB 3.39Å; F166-C170 WeakPolarHBondContact CZ-SG 3.49Å; F166-C170 PolarHBondContact O-N 2.99Å; F166-C170 PolarHBondContact O-SG 3.42Å; K167-C170 WeakPolarHBondContact O-CB 3.35Å; K167-C170 PolarHBondContact O-N 3.4Å; K167-C170 VanDerWaalsContact O-N 3.11Å; C170-Y178 VanDerWaalsContact O-CE1 3.29Å; C170-Y178 WeakPolarHBondContact O-CE1 3.32Å
171L95Very high95.5Very high1 Ų128.1 Ų28.11%0.00515%0.145CC..Hα-helixtrans-75.9-35.9178.7-62.1-177.6000113Q143 K167 H168 L169 E234 Q235Q143-L171 VanDerWaalsContact CD-CD2 3.41Å; Q143-L171 HydrophobicContact CG-CD2 3.71Å; K167-L171 HydrophobicContact CG-CD1 4.09Å; K167-L171 HydrophobicContact CG-CG 4.32Å; K167-L171 WeakPolarHBondContact O-CG 3.49Å; K167-L171 PolarHBondContact O-N 3.44Å; H168-L171 PolarHBondContact O-N 2.83Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L171-E234 HydrophobicContact CD1-CG 3.97Å; L171-Q235 HydrophobicContact CB-CG 3.67Å; L171-Q235 HydrophobicContact CD1-CG 4.24Å
172G94.9Very high95.4Very high0 Ų028.1 Ų28.10%015%0.145CC..  trans63.2-154.5176.500000115.1W37 H168 Q235W37-G172 CarbonylContact O-C 3.5Å; H168-G172 PolarHBondContact O-N 3.36Å; G172-Q235 WeakPolarHBondContact O-CB 3.44Å; G172-Q235 WeakPolarHBondContact O-CG 3.35Å
173G93.1Very high95.3Very high4 Ų432.3 Ų32.34%0.04117%0.167CC..SBendtrans-104.6-164.7175.400000113.1W37 L175 C176W37-G173 PolarHBondContact O-N 3.48Å; G173-L175 VanDerWaalsContact C-N 3.33Å; G173-L175 PolarHBondContact O-N 3.38Å; G173-C176 WeakPolarHBondContact O-CB 3.37Å; G173-C176 PolarHBondContact O-N 2.95Å
174A91.6Very high95.2Very high37 Ų3733.3 Ų33.331%0.30617%0.174SC..THydrogen-bonded Turntrans-67.6-29-16900000114.7Y256 G257 V258A174-Y256 HydrophobicContact CB-CE1 4.29Å; A174-Y256 HydrophobicContact CB-CE2 4.07Å; A174-G257 VanDerWaalsContact CB-C 3.49Å; A174-G257 WeakPolarHBondContact CB-O 3.47Å; A174-G257 PolarHBondContact N-O 2.93Å; A174-V258 HydrophobicContact CB-CG2 4.1Å
175L90.7Very high95.2Very high97 Ų9731.9 Ų31.951%0.50817%0.169SC..THydrogen-bonded Turntrans-110.228.4177.8-60.3-179.2000112S38 G173 Q177 V258 M261S38-L175 PolarHBondContact OG-N 3.24Å; G173-L175 VanDerWaalsContact C-N 3.33Å; G173-L175 PolarHBondContact O-N 3.38Å; L175-Q177 PolarHBondContact O-N 3.19Å; L175-V258 HydrophobicContact CD1-CG1 3.75Å; L175-V258 HydrophobicContact CD1-CG2 4.14Å; L175-V258 HydrophobicContact CG-CG1 4.37Å; L175-V258 HydrophobicContact CG-CG2 4.13Å; L175-M261 HydrophobicContact CB-CE 4.18Å; L175-M261 HydrophobicContact CD1-CE 3.56Å; L175-M261 HydrophobicContact CG-CE 4.39Å
176C90.2Very high95.1Very high15 Ų1532.9 Ų32.910%0.10117%0.173CC..  trans-51.5114-176.8-173.30000111.5G173 Y178G173-C176 WeakPolarHBondContact O-CB 3.37Å; G173-C176 PolarHBondContact O-N 2.95Å; C176-Y178 HydrophobicContact CB-CE1 4.32Å
177Q92.4Very high95.1Very high123 Ų12335.4 Ų35.458%0.57519%0.191SC*.  trans-89.5104.5169.5-61.6175.520.200107.9K36 L175K36-Q177 HydrophobicContact CD-CB 4.38Å; K36-Q177 VanDerWaalsContact CE-O 3.26Å; K36-Q177 WeakPolarHBondContact CE-O 3.46Å; K36-Q177 HydrophobicContact CG-CB 3.6Å; K36-Q177 HydrophobicContact CG-CG 4.45Å; K36-Q177 WeakPolarHBondContact O-CB 3.37Å; K36-Q177 PolarHBondContact O-N 2.97Å; L175-Q177 PolarHBondContact O-N 3.19Å
178Y92.4Very high95Very high69 Ų6934.2 Ų34.227%0.27119%0.186SC..  trans-65.2160.4-175.6-58-79.2000112.8K36 R139 C170 C176 Y185K36-Y178 PolarHBondContact NZ-O 3.11Å; R139-Y178 VanDerWaalsContact CZ-CZ 3.46Å; R139-Y178 VanDerWaalsContact CZ-OH 3.3Å; R139-Y178 PolarHBondContact NH2-OH 2.78Å; C170-Y178 VanDerWaalsContact O-CE1 3.29Å; C170-Y178 WeakPolarHBondContact O-CE1 3.32Å; C176-Y178 HydrophobicContact CB-CE1 4.32Å; Y178-Y185 WeakPolarHBondContact CA-OH 3.26Å
179E95.3Very high95.1Very high26 Ų2633.6 Ų33.612%0.12118%0.183CC..  trans-94144.2171.7-56.7-61.9148.400110.8K36 W37 T181 P184 Y185K36-E179 VanDerWaalsContact CD-OE1 3.24Å; K36-E179 WeakPolarHBondContact CD-OE1 3.2Å; K36-E179 WeakPolarHBondContact CE-OE1 3.37Å; K36-E179 IonicContact NZ-OE1 2.74Å; K36-E179 PolarHBondContact NZ-OE1 2.91Å; K36-E179 IonicContact NZ-OE2 2.73Å; K36-E179 PolarHBondContact NZ-OE2 2.95Å; W37-E179 HydrophobicContact CZ2-CG 4.1Å; W37-E179 PolarHBondContact NE1-OE1 3.01Å; W37-E179 VanDerWaalsContact NE1-OE1 3.14Å; E179-T181 VanDerWaalsContact CB-O 3.31Å; E179-T181 WeakPolarHBondContact CB-O 3.36Å; E179-T181 PolarHBondContact O-N 3.17Å; E179-P184 HydrophobicContact CB-CG 4.33Å; E179-P184 HydrophobicContact CG-CB 3.91Å; E179-P184 HydrophobicContact CG-CG 3.93Å; E179-Y185 HydrophobicContact CB-CD2 4.37Å; E179-Y185 HydrophobicContact CB-CE2 3.63Å; E179-Y185 HydrophobicContact CG-CD2 4.48Å; E179-Y185 HydrophobicContact CG-CE1 4.32Å; E179-Y185 HydrophobicContact CG-CE2 3.86Å; E179-Y185 PolarHBondContact N-OH 2.73Å
180D93.9Very high95.1Very high105 Ų10538.2 Ų38.256%0.56120%0.203SC*.SBendtrans-77.7-10.1172.7-62.6-50.3000112.6H123 V124H123-D180 CarbonylContact C-O 3.59Å; H123-D180 WeakPolarHBondContact CA-O 3.2Å; V124-D180 PolarHBondContact N-O 2.88Å
181T96.6Very high95.1Very high35 Ų3542 Ų4222%0.21522%0.22CC..BIsolated β-bridgetrans-130.3153.4-179.861.20000110.8G122 E179 P184G122-T181 WeakPolarHBondContact O-CA 3.48Å; E179-T181 VanDerWaalsContact CB-O 3.31Å; E179-T181 WeakPolarHBondContact CB-O 3.36Å; E179-T181 PolarHBondContact O-N 3.17Å; T181-P184 WeakPolarHBondContact O-CD 3.38Å; T181-P184 WeakPolarHBondContact OG1-CD 3.38Å
182I96.2Very high95.1Very high0 Ų042 Ų420%022%0.219CC..SBendtrans-78.3-23.5-176.8-163.5168.5000113.8I112 Y113 L118 G122 L138 F166 P184 Y185 I186I112-I182 HydrophobicContact CB-CD1 4.35Å; I112-I182 HydrophobicContact CD1-CD1 4.04Å; I112-I182 HydrophobicContact CG2-CD1 3.73Å; Y113-I182 HydrophobicContact CE1-CG2 3.97Å; Y113-I182 WeakPolarHBondContact OH-CG2 3.27Å; L118-I182 HydrophobicContact CD1-CB 4.17Å; L118-I182 HydrophobicContact CD1-CD1 4.01Å; L118-I182 HydrophobicContact CD1-CG2 3.65Å; L118-I182 HydrophobicContact CD2-CB 4.09Å; L118-I182 HydrophobicContact CD2-CD1 4.46Å; L118-I182 HydrophobicContact CD2-CG2 4.33Å; G122-I182 PolarHBondContact O-N 3.13Å; L138-I182 HydrophobicContact CD1-CD1 4.12Å; L138-I182 HydrophobicContact CD2-CG1 4.4Å; F166-I182 HydrophobicContact CE2-CD1 4.39Å; F166-I182 HydrophobicContact CE2-CG1 4.12Å; F166-I182 HydrophobicContact CZ-CD1 3.93Å; F166-I182 HydrophobicContact CZ-CG1 4.03Å; I182-P184 VanDerWaalsContact C-CD 3.5Å; I182-Y185 WeakPolarHBondContact O-CB 3.12Å; I182-Y185 PolarHBondContact O-N 3.23Å; I182-I186 HydrophobicContact CD1-CD1 3.93Å; I182-I186 HydrophobicContact CD1-CG1 4.49Å; I182-I186 HydrophobicContact CG1-CD1 3.82Å; I182-I186 HydrophobicContact CG1-CG1 4.08Å; I182-I186 HydrophobicContact CG2-CD1 4.12Å; I182-I186 PolarHBondContact O-N 3.36Å; I182-I186 VanDerWaalsContact O-N 3.14Å
183D96.4Very high95.2Very high88 Ų8842.5 Ų42.547%0.47122%0.222SC..Hα-helixtrans-60.5-38.8-169.3-67.9-12.7000114.6Y113 Y185 I186 S187Y113-D183 PolarHBondContact OH-OD1 3.4Å; D183-Y185 VanDerWaalsContact C-N 3.27Å; D183-Y185 PolarHBondContact O-N 2.96Å; D183-I186 PolarHBondContact O-N 3.42Å; D183-S187 VanDerWaalsContact O-CB 3.25Å; D183-S187 WeakPolarHBondContact O-CB 3.19Å; D183-S187 PolarHBondContact O-N 3.23Å; D183-S187 PolarHBondContact O-OG 3.05Å
184P97.2Very high95.3Very high24 Ų2449.6 Ų49.616%0.15625%0.251CS..Hα-helixtrans-61.4-36.1175.3-2233.7000112.4L33 W37 E179 T181 I182 S187 T188L33-P184 HydrophobicContact CD1-CB 4.25Å; L33-P184 HydrophobicContact CD2-CB 4.25Å; W37-P184 HydrophobicContact CZ2-CB 4.13Å; E179-P184 HydrophobicContact CB-CG 4.33Å; E179-P184 HydrophobicContact CG-CB 3.91Å; E179-P184 HydrophobicContact CG-CG 3.93Å; T181-P184 WeakPolarHBondContact O-CD 3.38Å; T181-P184 WeakPolarHBondContact OG1-CD 3.38Å; I182-P184 VanDerWaalsContact C-CD 3.5Å; P184-S187 WeakPolarHBondContact CA-OG 3.15Å; P184-S187 PolarHBondContact O-OG 2.99Å; P184-S187 VanDerWaalsContact O-OG 3.13Å; P184-T188 VanDerWaalsContact O-CB 3.25Å; P184-T188 WeakPolarHBondContact O-CB 3.32Å; P184-T188 PolarHBondContact O-N 3.37Å; P184-T188 VanDerWaalsContact O-N 3.09Å; P184-T188 PolarHBondContact O-OG1 3.24Å
185Y97.6Very high95.4Very high4 Ų450.1 Ų50.12%0.01625%0.249CC..Hα-helixtrans-67.9-53.3176.2-61.7-62.6000111.1W37 L138 L169 Y178 E179 I182 D183 S187 T188 T189W37-Y185 HydrophobicContact CD2-CD1 4.5Å; W37-Y185 HydrophobicContact CD2-CE1 4.02Å; W37-Y185 AromaticContact CE2-CD1 3.97Å; W37-Y185 AromaticContact CE2-CE1 3.49Å; W37-Y185 VanDerWaalsContact CE2-CE1 3.49Å; W37-Y185 AromaticContact CH2-CD1 3.68Å; W37-Y185 HydrophobicContact CH2-CD1 3.68Å; W37-Y185 HydrophobicContact CH2-CE1 4.09Å; W37-Y185 AromaticContact CZ2-CD1 3.54Å; W37-Y185 HydrophobicContact CZ2-CD1 3.54Å; W37-Y185 AromaticContact CZ2-CE1 3.53Å; W37-Y185 HydrophobicContact CZ2-CE1 3.53Å; W37-Y185 HydrophobicContact CZ2-CG 4.4Å; W37-Y185 HydrophobicContact CZ3-CD1 4.23Å; W37-Y185 AromaticContact NE1-CE1 3.78Å; L138-Y185 HydrophobicContact CD2-CD2 4.41Å; L169-Y185 HydrophobicContact CB-CD1 4.32Å; L169-Y185 WeakPolarHBondContact O-CE1 3.5Å; Y178-Y185 WeakPolarHBondContact CA-OH 3.26Å; E179-Y185 HydrophobicContact CB-CD2 4.37Å; E179-Y185 HydrophobicContact CB-CE2 3.63Å; E179-Y185 HydrophobicContact CG-CD2 4.48Å; E179-Y185 HydrophobicContact CG-CE1 4.32Å; E179-Y185 HydrophobicContact CG-CE2 3.86Å; E179-Y185 PolarHBondContact N-OH 2.73Å; I182-Y185 WeakPolarHBondContact O-CB 3.12Å; I182-Y185 PolarHBondContact O-N 3.23Å; D183-Y185 VanDerWaalsContact C-N 3.27Å; D183-Y185 PolarHBondContact O-N 2.96Å; Y185-S187 VanDerWaalsContact C-N 3.35Å; Y185-S187 PolarHBondContact O-N 3.22Å; Y185-T188 PolarHBondContact O-N 2.9Å; Y185-T189 WeakPolarHBondContact O-CB 3.46Å; Y185-T189 PolarHBondContact O-N 2.8Å; Y185-T189 PolarHBondContact O-OG1 3.19Å
186I97.1Very high95.6Very high21 Ų2145.9 Ų45.911%0.10823%0.227CC..Hα-helixtrans-60.3-44.4-179.2-69.5172.7000111.4M106 F109 Y113 F166 I182 D183 T188 T189 K190M106-I186 HydrophobicContact SD-CG2 4.36Å; F109-I186 HydrophobicContact CB-CD1 4.02Å; F109-I186 HydrophobicContact CD2-CG1 4.23Å; F109-I186 HydrophobicContact CG-CD1 4.45Å; F109-I186 HydrophobicContact CG-CG1 4.43Å; Y113-I186 HydrophobicContact CE2-CD1 4.1Å; Y113-I186 WeakPolarHBondContact OH-CD1 3.26Å; F166-I186 HydrophobicContact CD2-CG1 4.28Å; F166-I186 HydrophobicContact CE2-CG1 3.87Å; I182-I186 HydrophobicContact CD1-CD1 3.93Å; I182-I186 HydrophobicContact CD1-CG1 4.49Å; I182-I186 HydrophobicContact CG1-CD1 3.82Å; I182-I186 HydrophobicContact CG1-CG1 4.08Å; I182-I186 HydrophobicContact CG2-CD1 4.12Å; I182-I186 PolarHBondContact O-N 3.36Å; I182-I186 VanDerWaalsContact O-N 3.14Å; D183-I186 PolarHBondContact O-N 3.42Å; I186-T188 PolarHBondContact O-N 2.82Å; I186-T189 PolarHBondContact O-N 3.46Å; I186-K190 WeakPolarHBondContact O-CB 3.26Å; I186-K190 PolarHBondContact O-N 3.03Å
187S96.9Very high95.9Very high54 Ų5445.9 Ų45.938%0.37823%0.225SC..Hα-helixtrans-65.2-39-179.962.70000112.3D183 P184 Y185 K190 K191D183-S187 VanDerWaalsContact O-CB 3.25Å; D183-S187 WeakPolarHBondContact O-CB 3.19Å; D183-S187 PolarHBondContact O-N 3.23Å; D183-S187 PolarHBondContact O-OG 3.05Å; P184-S187 WeakPolarHBondContact CA-OG 3.15Å; P184-S187 PolarHBondContact O-OG 2.99Å; P184-S187 VanDerWaalsContact O-OG 3.13Å; Y185-S187 VanDerWaalsContact C-N 3.35Å; Y185-S187 PolarHBondContact O-N 3.22Å; S187-K190 PolarHBondContact O-N 3.32Å; S187-K191 WeakPolarHBondContact O-CG 3.37Å; S187-K191 PolarHBondContact O-N 3.12Å; S187-K191 VanDerWaalsContact O-N 3.11Å
188T97.4Very high95.9Very high0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-71.8-42.4176.7-55.30000111.5T30 L33 W37 L169 P184 Y185 I186 K190 K191 I192T30-T188 HydrophobicContact CG2-CG2 3.86Å; L33-T188 WeakPolarHBondContact CD1-OG1 3.48Å; W37-T188 HydrophobicContact CH2-CG2 4.26Å; W37-T188 HydrophobicContact CZ3-CG2 3.89Å; L169-T188 HydrophobicContact CD1-CG2 3.91Å; P184-T188 VanDerWaalsContact O-CB 3.25Å; P184-T188 WeakPolarHBondContact O-CB 3.32Å; P184-T188 PolarHBondContact O-N 3.37Å; P184-T188 VanDerWaalsContact O-N 3.09Å; P184-T188 PolarHBondContact O-OG1 3.24Å; Y185-T188 PolarHBondContact O-N 2.9Å; I186-T188 PolarHBondContact O-N 2.82Å; T188-K190 VanDerWaalsContact C-N 3.28Å; T188-K190 PolarHBondContact O-N 3.41Å; T188-K191 PolarHBondContact O-N 3Å; T188-I192 HydrophobicContact CG2-CD1 3.88Å; T188-I192 HydrophobicContact CG2-CG1 4.37Å; T188-I192 WeakPolarHBondContact O-CG1 3.35Å; T188-I192 PolarHBondContact O-N 2.85Å
189T98.1Very high96Very high0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-54.3-46.9171-58.60000110.6L162 L165 F166 L169 Y185 I186 K191 I192 Y193L162-T189 HydrophobicContact CD1-CG2 3.61Å; L165-T189 HydrophobicContact CB-CG2 4.38Å; L165-T189 HydrophobicContact CD2-CG2 4.08Å; L165-T189 HydrophobicContact CG-CG2 4.18Å; F166-T189 WeakPolarHBondContact CA-OG1 3.42Å; F166-T189 HydrophobicContact CB-CG2 4.02Å; L169-T189 WeakPolarHBondContact CD1-OG1 3.41Å; Y185-T189 WeakPolarHBondContact O-CB 3.46Å; Y185-T189 PolarHBondContact O-N 2.8Å; Y185-T189 PolarHBondContact O-OG1 3.19Å; I186-T189 PolarHBondContact O-N 3.46Å; T189-K191 PolarHBondContact O-N 2.98Å; T189-I192 PolarHBondContact O-N 3.11Å; T189-Y193 WeakPolarHBondContact O-CB 3.48Å; T189-Y193 PolarHBondContact O-N 3.11Å
190K97.1Very high95.8Very high98 Ų9845.2 Ų45.243%0.42623%0.232SC..Hα-helixtrans-59.8-42.5178.7-179.1176.7-172.5174.20112.9M106 I186 S187 T188 K194M106-K190 VanDerWaalsContact CE-CA 3.43Å; M106-K190 HydrophobicContact CE-CB 3.6Å; M106-K190 HydrophobicContact CE-CG 3.89Å; M106-K190 HydrophobicContact CG-CB 4.25Å; M106-K190 HydrophobicContact CG-CD 4.1Å; M106-K190 HydrophobicContact CG-CG 4.26Å; M106-K190 HydrophobicContact SD-CB 3.9Å; M106-K190 HydrophobicContact SD-CG 4.44Å; I186-K190 WeakPolarHBondContact O-CB 3.26Å; I186-K190 PolarHBondContact O-N 3.03Å; S187-K190 PolarHBondContact O-N 3.32Å; T188-K190 VanDerWaalsContact C-N 3.28Å; T188-K190 PolarHBondContact O-N 3.41Å; K190-K194 HydrophobicContact CG-CD 4.49Å; K190-K194 WeakPolarHBondContact O-CB 3.37Å; K190-K194 WeakPolarHBondContact O-CG 3.48Å; K190-K194 PolarHBondContact O-N 2.72Å; K190-K194 VanDerWaalsContact O-N 3.11Å
191K96.2Very high95.7Very high82 Ų8246.1 Ų46.136%0.35723%0.231SC..Hα-helixtrans-63.3-54.7176.7-73.5177.5178.71800110.9D27 T30 S187 T188 T189 Y193 K194 D195D27-K191 IonicContact OD2-NZ 3.17Å; D27-K191 PolarHBondContact OD2-NZ 3.27Å; T30-K191 WeakPolarHBondContact OG1-CD 3.37Å; T30-K191 PolarHBondContact OG1-NZ 2.76Å; S187-K191 WeakPolarHBondContact O-CG 3.37Å; S187-K191 PolarHBondContact O-N 3.12Å; S187-K191 VanDerWaalsContact O-N 3.11Å; T188-K191 PolarHBondContact O-N 3Å; T189-K191 PolarHBondContact O-N 2.98Å; K191-Y193 VanDerWaalsContact C-N 3.34Å; K191-Y193 PolarHBondContact O-N 3.16Å; K191-K194 PolarHBondContact O-N 2.98Å; K191-D195 PolarHBondContact O-N 2.82Å; K191-D195 VanDerWaalsContact O-N 3.08Å
192I96.4Very high95.3Very high0 Ų047.3 Ų47.30%024%0.236CC..Hα-helixtrans-60.4-45.2-178.5-63.2173.6000110.7F24 L43 L165 L169 T188 T189 K194 D195 L196F24-I192 HydrophobicContact CB-CG1 3.63Å; F24-I192 HydrophobicContact CD1-CB 4.35Å; F24-I192 HydrophobicContact CD1-CG1 4.07Å; F24-I192 HydrophobicContact CD1-CG2 4.22Å; F24-I192 HydrophobicContact CD2-CD1 4.33Å; F24-I192 HydrophobicContact CD2-CG1 3.98Å; F24-I192 HydrophobicContact CE1-CG2 4.2Å; F24-I192 HydrophobicContact CG-CB 4.42Å; F24-I192 HydrophobicContact CG-CD1 4.48Å; F24-I192 HydrophobicContact CG-CG1 3.65Å; F24-I192 HydrophobicContact CZ-CG2 4.49Å; L43-I192 HydrophobicContact CD2-CD1 4.35Å; L165-I192 HydrophobicContact CD1-CG2 4Å; L165-I192 HydrophobicContact CD2-CB 4.01Å; L165-I192 HydrophobicContact CD2-CG2 3.75Å; L165-I192 HydrophobicContact CG-CG2 4.45Å; L169-I192 HydrophobicContact CD1-CD1 4.08Å; L169-I192 HydrophobicContact CD2-CD1 3.97Å; T188-I192 HydrophobicContact CG2-CD1 3.88Å; T188-I192 HydrophobicContact CG2-CG1 4.37Å; T188-I192 WeakPolarHBondContact O-CG1 3.35Å; T188-I192 PolarHBondContact O-N 2.85Å; T189-I192 PolarHBondContact O-N 3.11Å; I192-K194 VanDerWaalsContact C-N 3.34Å; I192-K194 PolarHBondContact O-N 3.19Å; I192-D195 PolarHBondContact O-N 3.26Å; I192-L196 HydrophobicContact CG2-CD1 3.52Å; I192-L196 HydrophobicContact CG2-CG 4.18Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 2.98Å; I192-L196 VanDerWaalsContact O-N 3.07Å
193Y96.8Very high94.9Very high11 Ų1151.7 Ų51.74%0.04327%0.265CS..Hα-helixtrans-61.7-40.9179.9-167.5-96.1000112.4C101 K103 F161 L162 L165 T189 K191 D195 L196 I197C101-Y193 PolarHBondContact SG-OH 2.94Å; K103-Y193 PolarHBondContact O-OH 3.42Å; F161-Y193 AromaticContact CD1-CD2 3.99Å; F161-Y193 HydrophobicContact CD1-CD2 3.99Å; F161-Y193 AromaticContact CD1-CE2 3.65Å; F161-Y193 HydrophobicContact CD1-CE2 3.65Å; F161-Y193 HydrophobicContact CE1-CD2 4.22Å; F161-Y193 HydrophobicContact CE1-CE2 4.3Å; L162-Y193 HydrophobicContact CB-CD2 4.11Å; L162-Y193 HydrophobicContact CB-CE2 3.7Å; L162-Y193 HydrophobicContact CD1-CD1 4.28Å; L162-Y193 HydrophobicContact CD1-CD2 3.73Å; L162-Y193 HydrophobicContact CD1-CE2 4.14Å; L162-Y193 HydrophobicContact CD1-CG 3.8Å; L162-Y193 HydrophobicContact CG-CE2 4.46Å; L165-Y193 HydrophobicContact CD2-CD2 4.34Å; T189-Y193 WeakPolarHBondContact O-CB 3.48Å; T189-Y193 PolarHBondContact O-N 3.11Å; K191-Y193 VanDerWaalsContact C-N 3.34Å; K191-Y193 PolarHBondContact O-N 3.16Å; Y193-D195 VanDerWaalsContact C-N 3.35Å; Y193-L196 PolarHBondContact O-N 3.22Å; Y193-I197 HydrophobicContact CD1-CB 4.35Å; Y193-I197 HydrophobicContact CD1-CG1 4.26Å; Y193-I197 HydrophobicContact CD2-CG1 3.89Å; Y193-I197 HydrophobicContact CE1-CB 4.11Å; Y193-I197 HydrophobicContact CE1-CG1 4.07Å; Y193-I197 HydrophobicContact CE1-CG2 4.25Å; Y193-I197 HydrophobicContact CE2-CG1 3.67Å; Y193-I197 HydrophobicContact CG-CG1 4.19Å; Y193-I197 WeakPolarHBondContact O-CB 3.44Å; Y193-I197 PolarHBondContact O-N 3.43Å
194K94.6Very high94.6Very high152 Ų15255.8 Ų55.866%0.66128%0.281SS*.Hα-helixtrans-65.5-35.8176.5-84.1-174.1158-1630113.4K190 K191 I192 L196K190-K194 HydrophobicContact CG-CD 4.49Å; K190-K194 WeakPolarHBondContact O-CB 3.37Å; K190-K194 WeakPolarHBondContact O-CG 3.48Å; K190-K194 PolarHBondContact O-N 2.72Å; K190-K194 VanDerWaalsContact O-N 3.11Å; K191-K194 PolarHBondContact O-N 2.98Å; I192-K194 VanDerWaalsContact C-N 3.34Å; I192-K194 PolarHBondContact O-N 3.19Å; K194-L196 VanDerWaalsContact C-N 3.33Å
195D93.7Very high94.3Very high48 Ų4859.1 Ų59.126%0.25730%0.301SS..Hα-helixtrans-72.4-31.2178.7-751.2000112F22 C23 F24 K191 I192 Y193F22-D195 HydrophobicContact CD1-CB 4.17Å; C23-D195 WeakPolarHBondContact CA-OD2 3.43Å; C23-D195 VanDerWaalsContact CB-OD2 3.26Å; C23-D195 WeakPolarHBondContact CB-OD2 3.47Å; C23-D195 PolarHBondContact N-OD2 3.35Å; F24-D195 HydrophobicContact CD1-CB 4Å; F24-D195 WeakPolarHBondContact CD1-OD2 2.9Å; F24-D195 HydrophobicContact CE1-CB 4.44Å; F24-D195 PolarHBondContact N-OD2 3.41Å; K191-D195 PolarHBondContact O-N 2.82Å; K191-D195 VanDerWaalsContact O-N 3.08Å; I192-D195 PolarHBondContact O-N 3.26Å; Y193-D195 VanDerWaalsContact C-N 3.35Å
196L95Very high93.9Very high9 Ų965 Ų655%0.04733%0.326CS..Hα-helixtrans-91-41.6-174.3-69.6177.8000114F22 F24 A45 F161 I192 Y193 K194 I241 T250 L252F22-L196 HydrophobicContact CD1-CD2 4.13Å; F22-L196 HydrophobicContact CE1-CD2 3.76Å; F22-L196 HydrophobicContact CZ-CD2 4.4Å; F24-L196 HydrophobicContact CE1-CD2 4.25Å; F24-L196 HydrophobicContact CE1-CG 4.41Å; A45-L196 HydrophobicContact CB-CD2 4.33Å; F161-L196 HydrophobicContact CE1-CD1 4.48Å; F161-L196 HydrophobicContact CZ-CD1 4.34Å; I192-L196 HydrophobicContact CG2-CD1 3.52Å; I192-L196 HydrophobicContact CG2-CG 4.18Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 2.98Å; I192-L196 VanDerWaalsContact O-N 3.07Å; Y193-L196 PolarHBondContact O-N 3.22Å; K194-L196 VanDerWaalsContact C-N 3.33Å; L196-I241 HydrophobicContact CB-CD1 4.08Å; L196-I241 HydrophobicContact CD1-CD1 3.94Å; L196-I241 HydrophobicContact CD2-CD1 3.95Å; L196-I241 HydrophobicContact CG-CD1 4.22Å; L196-T250 HydrophobicContact CD2-CG2 3.82Å; L196-L252 HydrophobicContact CD1-CD1 4.21Å; L196-L252 HydrophobicContact CD1-CD2 3.71Å; L196-L252 HydrophobicContact CD1-CG 4.39Å
197I95.7Very high93.5Very high14 Ų1471.4 Ų71.47%0.07235%0.353CS..  trans-98.4124.7-167.9-58.8-55000111.4F161 Y193 V210 V214 I241F161-I197 HydrophobicContact CD1-CD1 3.83Å; F161-I197 HydrophobicContact CD1-CG1 4.17Å; F161-I197 HydrophobicContact CE1-CD1 3.78Å; F161-I197 HydrophobicContact CE1-CG1 4.14Å; Y193-I197 HydrophobicContact CD1-CB 4.35Å; Y193-I197 HydrophobicContact CD1-CG1 4.26Å; Y193-I197 HydrophobicContact CD2-CG1 3.89Å; Y193-I197 HydrophobicContact CE1-CB 4.11Å; Y193-I197 HydrophobicContact CE1-CG1 4.07Å; Y193-I197 HydrophobicContact CE1-CG2 4.25Å; Y193-I197 HydrophobicContact CE2-CG1 3.67Å; Y193-I197 HydrophobicContact CG-CG1 4.19Å; Y193-I197 WeakPolarHBondContact O-CB 3.44Å; Y193-I197 PolarHBondContact O-N 3.43Å; I197-V210 HydrophobicContact CG2-CG1 3.64Å; I197-V210 HydrophobicContact CG2-CG2 4.21Å; I197-V214 HydrophobicContact CD1-CG2 3.97Å; I197-I241 HydrophobicContact CD1-CG2 3.84Å
198S93.6Very high93.2Very high18 Ų1872.6 Ų72.613%0.12636%0.355CS..  trans-85.7133.2171.6-710000110.7V211 S212 D243 K246S198-V211 PolarHBondContact O-N 2.82Å; S198-S212 PolarHBondContact N-OG 3.14Å; S198-D243 WeakPolarHBondContact CB-OD2 3.49Å; S198-D243 PolarHBondContact OG-OD2 3.36Å; S198-K246 PolarHBondContact OG-NZ 2.8Å
199V93.3Very high92.9Very high78 Ų7875.5 Ų75.547%0.47338%0.375SS..EExtended strand (participates in β ladder)trans-118.1151.9172.5-610000110.4I104 I208 S209 V210I104-V199 HydrophobicContact CG2-CG1 4.08Å; V199-I208 HydrophobicContact CB-CG2 3.69Å; V199-I208 HydrophobicContact CG1-CG2 4.27Å; V199-I208 HydrophobicContact CG2-CG2 3.86Å; V199-S209 CarbonylContact C-O 3.57Å; V199-S209 VanDerWaalsContact CA-O 3.28Å; V199-S209 WeakPolarHBondContact CA-O 3.44Å; V199-V210 HydrophobicContact CG1-CG2 4.33Å
200Q91.9Very high92.7Very high109 Ų10977 Ų7751%0.50938%0.384SS..EExtended strand (participates in β ladder)trans-123.2144.3173.2-178.9173.413.400109.4I208 S209 V211Q200-I208 WeakPolarHBondContact O-CA 3.49Å; Q200-S209 PolarHBondContact N-O 2.85Å; Q200-S209 PolarHBondContact O-N 3.37Å; Q200-V211 HydrophobicContact CB-CG2 3.42Å; Q200-V211 VanDerWaalsContact CB-CG2 3.42Å
201K91.9Very high92.5Very high124 Ų12473.7 Ų73.754%0.53937%0.372SS..EExtended strand (participates in β ladder)trans-96.5123170.4-171175.3-174.6177.20108.5K206 I208K201-K206 WeakPolarHBondContact CE-O 3.35Å; K201-I208 HydrophobicContact CB-CG1 4.38Å; K201-I208 HydrophobicContact CG-CG1 4.3Å
202D88Confident92.4Very high59 Ų5970.1 Ų70.132%0.31636%0.358SS..  trans-64.5128.7173.6-178.7-81000109.7E204 T205 K206 K207D202-E204 VanDerWaalsContact C-N 3.3Å; D202-E204 PolarHBondContact O-N 3.13Å; D202-E204 PolarHBondContact OD1-N 2.9Å; D202-T205 WeakPolarHBondContact CB-OG1 3.46Å; D202-T205 PolarHBondContact OD1-N 3.07Å; D202-T205 PolarHBondContact OD1-OG1 3.09Å; D202-K206 WeakPolarHBondContact O-CA 3.34Å; D202-K206 PolarHBondContact O-N 2.87Å; D202-K207 PolarHBondContact N-O 3.17Å
203P88.1Confident92.4Very high93 Ų9371.3 Ų71.360%0.60437%0.365SS*.THydrogen-bonded Turntrans-68-29.6-172.925.4-32.9000113K206P203-K206 WeakPolarHBondContact O-CE 3.29Å; P203-K206 PolarHBondContact O-NZ 2.73Å
204E89.6Confident92.5Very high174 Ų17470.9 Ų70.981%0.81336%0.363SS*.THydrogen-bonded Turntrans-89.3-58.1-176.5-62.8-173.3172.400111.1D202 K206D202-E204 VanDerWaalsContact C-N 3.3Å; D202-E204 PolarHBondContact O-N 3.13Å; D202-E204 PolarHBondContact OD1-N 2.9Å; E204-K206 VanDerWaalsContact C-N 3.31Å; E204-K206 PolarHBondContact O-N 2.9Å
205T90.7Very high92.6Very high93 Ų9363.6 Ų63.657%0.57133%0.332SS*.THydrogen-bonded Turntrans-79.1-14-17566.30000113.2D202 K207D202-T205 WeakPolarHBondContact CB-OG1 3.46Å; D202-T205 PolarHBondContact OD1-N 3.07Å; D202-T205 PolarHBondContact OD1-OG1 3.09Å; T205-K207 PolarHBondContact O-N 2.78Å; T205-K207 PolarHBondContact OG1-N 3.35Å
206K89.6Confident92.8Very high127 Ų12764.8 Ų64.855%0.55234%0.335SS*.  trans58.58.1-172.6-53.9-54.8-176.5-161.70114.4K201 D202 P203 E204K201-K206 WeakPolarHBondContact CE-O 3.35Å; D202-K206 WeakPolarHBondContact O-CA 3.34Å; D202-K206 PolarHBondContact O-N 2.87Å; P203-K206 WeakPolarHBondContact O-CE 3.29Å; P203-K206 PolarHBondContact O-NZ 2.73Å; E204-K206 VanDerWaalsContact C-N 3.31Å; E204-K206 PolarHBondContact O-N 2.9Å
207K89Confident92.9Very high156 Ų15664.4 Ų64.468%0.67833%0.333SS*.  trans-73.4139.7178.4-169.4176.8179.4-177.80110D202 T205D202-K207 PolarHBondContact N-O 3.17Å; T205-K207 PolarHBondContact O-N 2.78Å; T205-K207 PolarHBondContact OG1-N 3.35Å
208I91.2Very high92.8Very high80 Ų8064.9 Ų64.941%0.4134%0.337SS..EExtended strand (participates in β ladder)trans-93.9131.5175.3-59.7174.5000108.3I104 V199 Q200 K201I104-I208 HydrophobicContact CD1-CB 3.98Å; I104-I208 HydrophobicContact CD1-CG2 3.91Å; V199-I208 HydrophobicContact CB-CG2 3.69Å; V199-I208 HydrophobicContact CG1-CG2 4.27Å; V199-I208 HydrophobicContact CG2-CG2 3.86Å; Q200-I208 WeakPolarHBondContact O-CA 3.49Å; K201-I208 HydrophobicContact CB-CG1 4.38Å; K201-I208 HydrophobicContact CG-CG1 4.3Å
209S90.9Very high92.7Very high60 Ų6064 Ų6442%0.4233%0.331SS..EExtended strand (participates in β ladder)trans-132.5152.1175.957.60000111.4V199 Q200V199-S209 CarbonylContact C-O 3.57Å; V199-S209 VanDerWaalsContact CA-O 3.28Å; V199-S209 WeakPolarHBondContact CA-O 3.44Å; Q200-S209 PolarHBondContact N-O 2.85Å; Q200-S209 PolarHBondContact O-N 3.37Å
210V93.8Very high92.6Very high31 Ų3163.4 Ų63.419%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-71.4137.1174.3177.90000109.8C101 I104 I197 V199C101-V210 HydrophobicContact CB-CG1 4.46Å; C101-V210 VanDerWaalsContact O-CB 3.24Å; C101-V210 WeakPolarHBondContact O-CB 3.35Å; C101-V210 WeakPolarHBondContact O-CG1 3.35Å; C101-V210 WeakPolarHBondContact O-CG2 3.28Å; I104-V210 HydrophobicContact CG2-CG2 3.54Å; I197-V210 HydrophobicContact CG2-CG1 3.64Å; I197-V210 HydrophobicContact CG2-CG2 4.21Å; V199-V210 HydrophobicContact CG1-CG2 4.33Å
211V93Very high92.5Very high29 Ų2959.1 Ų59.118%0.17630%0.301CS..  trans-102.1-30.4175.4-179.60000111.2S198 Q200 P244 V245S198-V211 PolarHBondContact O-N 2.82Å; Q200-V211 HydrophobicContact CB-CG2 3.42Å; Q200-V211 VanDerWaalsContact CB-CG2 3.42Å; V211-P244 HydrophobicContact CG1-CG 4.24Å; V211-V245 HydrophobicContact CG1-CB 4.42Å; V211-V245 HydrophobicContact CG1-CG2 3.65Å
212S94.3Very high92.4Very high8 Ų858.9 Ų58.96%0.05631%0.31CS..  trans-67.7136.5-177.1-59.80000112.3S198 V242S198-S212 PolarHBondContact N-OG 3.14Å; S212-V242 CarbonylContact C-O 3.47Å; S212-V242 VanDerWaalsContact CA-O 3.28Å; S212-V242 WeakPolarHBondContact CA-O 3.41Å
213T96.2Very high92.3Very high25 Ų2560.2 Ų60.215%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-96.8130167.1-59.20000109F54 L98 L215 I241 V242F54-T213 HydrophobicContact CE1-CG2 4.15Å; F54-T213 HydrophobicContact CZ-CG2 4.19Å; L98-T213 HydrophobicContact CD1-CG2 3.75Å; T213-L215 HydrophobicContact CG2-CD2 4.17Å; T213-I241 WeakPolarHBondContact O-CA 3.42Å; T213-V242 PolarHBondContact N-O 2.6Å; T213-V242 PolarHBondContact O-N 3.05Å
214V97.9Very high92.2Very high1 Ų157.2 Ų57.21%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-112.3126.5-178.1-174.20000110.1V99 C101 F161 I197 Y239 L240 I241V99-V214 HydrophobicContact CB-CB 4.22Å; V99-V214 HydrophobicContact CB-CG1 4.07Å; V99-V214 HydrophobicContact CG2-CG1 4.48Å; V99-V214 PolarHBondContact N-O 2.9Å; C101-V214 HydrophobicContact CB-CB 4.38Å; C101-V214 HydrophobicContact CB-CG2 3.76Å; F161-V214 HydrophobicContact CB-CG1 4.41Å; F161-V214 HydrophobicContact CB-CG2 4.44Å; F161-V214 HydrophobicContact CD1-CG1 4.39Å; F161-V214 HydrophobicContact CD1-CG2 4.05Å; F161-V214 HydrophobicContact CD2-CG1 3.7Å; F161-V214 HydrophobicContact CE2-CG1 4.01Å; F161-V214 HydrophobicContact CG-CB 4.45Å; F161-V214 HydrophobicContact CG-CG1 3.91Å; F161-V214 HydrophobicContact CG-CG2 4.16Å; I197-V214 HydrophobicContact CD1-CG2 3.97Å; V214-Y239 HydrophobicContact CG1-CD1 4Å; V214-Y239 HydrophobicContact CG1-CG 4.42Å; V214-L240 WeakPolarHBondContact CA-O 3.32Å; V214-I241 HydrophobicContact CG1-CG1 4.33Å; V214-I241 HydrophobicContact CG2-CG1 4.34Å
215L97.9Very high92.2Very high0 Ų050.4 Ų50.40%028%0.277CS..EExtended strand (participates in β ladder)trans-120.6122179.3-51.4170.7000108.4Y59 E97 L98 T213 V217 Y239 L240 V242Y59-L215 HydrophobicContact CD1-CD2 4.43Å; Y59-L215 HydrophobicContact CD2-CD2 4.05Å; Y59-L215 HydrophobicContact CG-CD2 3.82Å; E97-L215 CarbonylContact O-C 3.54Å; E97-L215 WeakPolarHBondContact O-CA 3.36Å; L98-L215 HydrophobicContact CD1-CD2 3.78Å; T213-L215 HydrophobicContact CG2-CD2 4.17Å; L215-V217 HydrophobicContact CB-CG1 4.1Å; L215-Y239 CarbonylContact O-C 3.54Å; L215-Y239 WeakPolarHBondContact O-CA 3.47Å; L215-L240 HydrophobicContact CB-CB 4.3Å; L215-L240 HydrophobicContact CD1-CB 4.47Å; L215-L240 PolarHBondContact N-O 3.11Å; L215-L240 PolarHBondContact O-N 3.23Å; L215-V242 HydrophobicContact CD1-CG2 4.47Å
216K97.4Very high92Very high73 Ų7346 Ų4632%0.31725%0.251SS..EExtended strand (participates in β ladder)trans-74.8134164.3-168-175.1177.4-174.70107.5T96 E97 V99 A238 Y239T96-K216 CarbonylContact C-O 3.5Å; T96-K216 VanDerWaalsContact CA-O 3.31Å; T96-K216 WeakPolarHBondContact CA-O 3.36Å; E97-K216 HydrophobicContact CB-CB 4.09Å; E97-K216 PolarHBondContact N-O 2.71Å; E97-K216 PolarHBondContact O-N 3.18Å; E97-K216 WeakPolarHBondContact OE2-CD 3.41Å; V99-K216 HydrophobicContact CG2-CB 3.91Å; K216-A238 WeakPolarHBondContact CA-O 3.49Å; K216-Y239 HydrophobicContact CB-CD1 3.88Å; K216-Y239 HydrophobicContact CB-CE1 3.68Å; K216-Y239 HydrophobicContact CD-CE1 4.34Å; K216-Y239 HydrophobicContact CG-CD1 4.18Å; K216-Y239 HydrophobicContact CG-CE1 3.74Å
217V96.1Very high92Very high1 Ų140 Ų401%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-131.9141.4-173.4-60.70000112.4A63 F67 V94 S95 T96 L215 F227 A238 L240 L251A63-V217 HydrophobicContact CB-CG1 4.4Å; F67-V217 HydrophobicContact CE2-CB 3.98Å; F67-V217 HydrophobicContact CE2-CG2 3.78Å; F67-V217 HydrophobicContact CZ-CB 4.41Å; F67-V217 HydrophobicContact CZ-CG2 3.75Å; V94-V217 HydrophobicContact CG1-CB 4.45Å; S95-V217 WeakPolarHBondContact O-CA 3.23Å; T96-V217 HydrophobicContact CG2-CG1 4.12Å; L215-V217 HydrophobicContact CB-CG1 4.1Å; V217-F227 HydrophobicContact CG2-CE1 4.47Å; V217-A238 HydrophobicContact CG2-CB 3.86Å; V217-A238 PolarHBondContact N-O 2.97Å; V217-L240 HydrophobicContact CG1-CB 4.41Å; V217-L240 HydrophobicContact CG1-CD1 3.83Å; V217-L240 HydrophobicContact CG1-CG 3.85Å; V217-L240 HydrophobicContact CG2-CG 4.09Å; V217-L251 HydrophobicContact CG2-CD1 4.5Å
218C93.8Very high91.9Very high24 Ų2432.7 Ų32.716%0.16219%0.193CC..EExtended strand (participates in β ladder)trans-132.4131.3166.2-650000108.5V94 S95 Y220 Q225 F227V94-C218 CarbonylContact C-O 3.57Å; V94-C218 WeakPolarHBondContact CA-O 3.35Å; S95-C218 PolarHBondContact N-O 3.28Å; S95-C218 PolarHBondContact O-N 2.78Å; C218-Y220 HydrophobicContact CB-CE2 3.72Å; C218-Y220 WeakPolarHBondContact O-CE2 3.42Å; C218-Q225 HydrophobicContact CB-CG 4.41Å; C218-F227 WeakPolarHBondContact CA-O 3.47Å
219A92.4Very high91.4Very high0 Ų029.5 Ų29.50%018%0.18CC..EExtended strand (participates in β ladder)trans-100.7143.5176.800000110.5F67 V91 V94 C226 F227F67-A219 HydrophobicContact CD1-CB 4.13Å; F67-A219 HydrophobicContact CD2-CB 4.42Å; F67-A219 HydrophobicContact CE1-CB 4.46Å; F67-A219 HydrophobicContact CG-CB 4.12Å; V91-A219 HydrophobicContact CG1-CB 4.01Å; V91-A219 HydrophobicContact CG2-CB 4.28Å; V94-A219 HydrophobicContact CG2-CB 4.38Å; A219-C226 PolarHBondContact O-N 3.2Å; A219-C226 PolarHBondContact O-SG 3Å; A219-C226 VanDerWaalsContact O-SG 3.35Å; A219-F227 HydrophobicContact CB-CB 4Å; A219-F227 PolarHBondContact N-O 3.32Å; A219-F227 PolarHBondContact O-N 2.98Å
220Y91.8Very high90.9Very high65 Ų6534 Ų3426%0.25519%0.192SC..EExtended strand (participates in β ladder)trans-126.2134.7-177.6-58.9-98.6000110.6A92 S93 C218 G224 Q225A92-Y220 PolarHBondContact N-O 3.4Å; S93-Y220 PolarHBondContact N-O 3.32Å; S93-Y220 PolarHBondContact O-N 3.14Å; C218-Y220 HydrophobicContact CB-CE2 3.72Å; C218-Y220 WeakPolarHBondContact O-CE2 3.42Å; Y220-G224 CarbonylContact C-O 3.56Å; Y220-G224 WeakPolarHBondContact CA-O 3.39Å; Y220-Q225 HydrophobicContact CD1-CB 3.91Å; Y220-Q225 HydrophobicContact CD1-CG 4.49Å; Y220-Q225 HydrophobicContact CE1-CB 3.68Å; Y220-Q225 HydrophobicContact CE1-CG 4.1Å; Y220-Q225 PolarHBondContact OH-OE1 3.47Å
221D89.9Confident90.2Very high19 Ų1941.3 Ų41.310%0.10222%0.216CC..EExtended strand (participates in β ladder)trans-103.2-171167.173.410.1000110.3R89 S223 G224 C226R89-D221 HydrophobicContact CB-CB 4.08Å; D221-S223 PolarHBondContact O-N 3.23Å; D221-S223 VanDerWaalsContact O-N 3.13Å; D221-S223 VanDerWaalsContact OD1-CA 3.29Å; D221-S223 WeakPolarHBondContact OD1-CA 3.49Å; D221-S223 WeakPolarHBondContact OD1-CB 3.25Å; D221-S223 PolarHBondContact OD1-N 3.18Å; D221-G224 PolarHBondContact N-O 3.23Å; D221-G224 PolarHBondContact O-N 2.78Å; D221-G224 PolarHBondContact OD1-N 2.98Å; D221-C226 HydrophobicContact CB-CB 4.34Å
222V88Confident89.6Confident118 Ų11848.4 Ų48.472%0.71525%0.247SC*.THydrogen-bonded Turntrans-63.5-13.2178.4-61.90000114.6
223S86.3Confident89.3Confident88 Ų8850.3 Ų50.362%0.61526%0.255SS*.THydrogen-bonded Turntrans-106.11.3179.3-69.20000113.5R89 D221R89-S223 PolarHBondContact NH1-OG 3.34Å; D221-S223 PolarHBondContact O-N 3.23Å; D221-S223 VanDerWaalsContact O-N 3.13Å; D221-S223 VanDerWaalsContact OD1-CA 3.29Å; D221-S223 WeakPolarHBondContact OD1-CA 3.49Å; D221-S223 WeakPolarHBondContact OD1-CB 3.25Å; D221-S223 PolarHBondContact OD1-N 3.18Å
224G87.6Confident89.1Confident29 Ų2953.4 Ų53.430%0.29927%0.268SS..EExtended strand (participates in β ladder)trans115-151.1179.300000111.9Y220 D221 C226Y220-G224 CarbonylContact C-O 3.56Å; Y220-G224 WeakPolarHBondContact CA-O 3.39Å; D221-G224 PolarHBondContact N-O 3.23Å; D221-G224 PolarHBondContact O-N 2.78Å; D221-G224 PolarHBondContact OD1-N 2.98Å; G224-C226 PolarHBondContact O-N 2.81Å
225Q88.1Confident88.8Confident31 Ų3155 Ų5515%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-66.6124.6-176.5-168172.5-6000110.8C218 Y220 G229 K230C218-Q225 HydrophobicContact CB-CG 4.41Å; Y220-Q225 HydrophobicContact CD1-CB 3.91Å; Y220-Q225 HydrophobicContact CD1-CG 4.49Å; Y220-Q225 HydrophobicContact CE1-CB 3.68Å; Y220-Q225 HydrophobicContact CE1-CG 4.1Å; Y220-Q225 PolarHBondContact OH-OE1 3.47Å; Q225-G229 WeakPolarHBondContact CG-O 3.45Å; Q225-G229 PolarHBondContact NE2-O 3.21Å; Q225-K230 WeakPolarHBondContact O-CG 3.41Å
226C87.4Confident88.6Confident2 Ų255.7 Ų55.71%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-109.9-23178.763.60000113.3A219 D221 G224A219-C226 PolarHBondContact O-N 3.2Å; A219-C226 PolarHBondContact O-SG 3Å; A219-C226 VanDerWaalsContact O-SG 3.35Å; D221-C226 HydrophobicContact CB-CB 4.34Å; G224-C226 PolarHBondContact O-N 2.81Å
227F89.4Confident88.6Confident0 Ų052.4 Ų52.40%027%0.265CS..EExtended strand (participates in β ladder)trans-142.9142.6176.7177.3-99.5000111.1F67 M85 V217 C218 A219 A238 L251 F253F67-F227 HydrophobicContact CD1-CD1 4.48Å; F67-F227 AromaticContact CE1-CD1 3.39Å; F67-F227 HydrophobicContact CE1-CD1 3.39Å; F67-F227 AromaticContact CE1-CE1 3.6Å; F67-F227 HydrophobicContact CE1-CE1 3.6Å; F67-F227 HydrophobicContact CE1-CG 4.09Å; F67-F227 HydrophobicContact CE1-CZ 4.43Å; F67-F227 AromaticContact CZ-CD1 3.53Å; F67-F227 HydrophobicContact CZ-CD1 3.53Å; F67-F227 AromaticContact CZ-CE1 3.53Å; F67-F227 HydrophobicContact CZ-CE1 3.53Å; M85-F227 HydrophobicContact CE-CB 3.84Å; M85-F227 HydrophobicContact CE-CD2 3.27Å; M85-F227 HydrophobicContact CE-CE2 4.21Å; M85-F227 HydrophobicContact CE-CG 4Å; M85-F227 HydrophobicContact SD-CD2 3.7Å; M85-F227 HydrophobicContact SD-CE2 4.21Å; V217-F227 HydrophobicContact CG2-CE1 4.47Å; C218-F227 WeakPolarHBondContact CA-O 3.47Å; A219-F227 HydrophobicContact CB-CB 4Å; A219-F227 PolarHBondContact N-O 3.32Å; A219-F227 PolarHBondContact O-N 2.98Å; F227-A238 HydrophobicContact CD1-CB 4.2Å; F227-A238 HydrophobicContact CE1-CB 3.32Å; F227-A238 HydrophobicContact CZ-CB 3.74Å; F227-L251 HydrophobicContact CE1-CD1 3.95Å; F227-L251 HydrophobicContact CZ-CD1 3.95Å; F227-L251 HydrophobicContact CZ-CD2 3.92Å; F227-L251 HydrophobicContact CZ-CG 4.34Å; F227-F253 HydrophobicContact CE2-CB 4.38Å; F227-F253 HydrophobicContact CE2-CD1 4.39Å; F227-F253 HydrophobicContact CE2-CD2 4.03Å; F227-F253 HydrophobicContact CE2-CE2 4.37Å; F227-F253 HydrophobicContact CE2-CG 4.02Å; F227-F253 HydrophobicContact CZ-CB 3.82Å; F227-F253 HydrophobicContact CZ-CD1 4.09Å; F227-F253 HydrophobicContact CZ-CD2 4.27Å; F227-F253 AromaticContact CZ-CG 3.8Å; F227-F253 HydrophobicContact CZ-CG 3.8Å
228P86.1Confident88.6Confident3 Ų352.4 Ų52.42%0.01927%0.265CS..SBendcis-75.5-22.3-225.8-30.1000115.1T236 A238 I255P228-T236 HydrophobicContact CB-CG2 4.03Å; P228-T236 HydrophobicContact CG-CG2 3.71Å; P228-A238 HydrophobicContact CB-CB 4.11Å; P228-A238 HydrophobicContact CG-CB 3.89Å; P228-I255 HydrophobicContact CB-CD1 4.4Å; P228-I255 HydrophobicContact CB-CG1 3.95Å; P228-I255 WeakPolarHBondContact O-CD1 3.42Å; P228-I255 WeakPolarHBondContact O-CG1 3.24Å
229G81.9Confident88.8Confident12 Ų1251.4 Ų51.412%0.12426%0.258CS..  trans-147.3164.6174.100000111Q225 R231Q225-G229 WeakPolarHBondContact CG-O 3.45Å; Q225-G229 PolarHBondContact NE2-O 3.21Å; G229-R231 VanDerWaalsContact C-N 3.34Å
230K79.1Confident89Confident154 Ų15451.4 Ų51.467%0.6726%0.258SS*.SBendtrans-80.5-19.4175.6-63-170.1174.5-179.50113.2Q225Q225-K230 WeakPolarHBondContact O-CG 3.41Å
231R79.4Confident89.3Confident185 Ų18548.5 Ų48.570%0.69825%0.247SC*.SBendtrans-102.1145.5-179.7-67.9-178.7179.9-173.9-0.3108.9G229 E233G229-R231 VanDerWaalsContact C-N 3.34Å; R231-E233 WeakPolarHBondContact CB-OE1 3.5Å; R231-E233 WeakPolarHBondContact CB-OE2 3.49Å; R231-E233 WeakPolarHBondContact CD-OE1 3.25Å; R231-E233 PolarHBondContact O-N 3.36Å
232E80.3Confident89.6Confident178 Ų17847.6 Ų47.683%0.83224%0.242SC*.  trans-86.391.8171.5-68.3-165.1158.100108.5
233E89.3Confident89.9Confident48 Ų4842.4 Ų42.422%0.22421%0.211CC..  trans-107.7137.3163-60.395.6177.700109.3R231 Q235 T236 Y256R231-E233 WeakPolarHBondContact CB-OE1 3.5Å; R231-E233 WeakPolarHBondContact CB-OE2 3.49Å; R231-E233 WeakPolarHBondContact CD-OE1 3.25Å; R231-E233 PolarHBondContact O-N 3.36Å; E233-Q235 PolarHBondContact O-N 3.43Å; E233-T236 WeakPolarHBondContact O-CB 3.34Å; E233-T236 PolarHBondContact O-N 3.03Å; E233-T236 PolarHBondContact OE2-OG1 2.7Å; E233-Y256 HydrophobicContact CB-CD1 4.33Å; E233-Y256 HydrophobicContact CB-CG 4.2Å; E233-Y256 HydrophobicContact CG-CD1 3.81Å; E233-Y256 HydrophobicContact CG-CE1 4.5Å; E233-Y256 HydrophobicContact CG-CG 4.19Å
234E90.8Very high90.1Very high91 Ų9140.5 Ų40.543%0.42520%0.196SC..THydrogen-bonded Turntrans-59.5-32.3-179.4-177172.5-148.600112.5K167 L171 T236K167-E234 WeakPolarHBondContact CE-OE1 3.27Å; K167-E234 IonicContact NZ-OE1 3.71Å; K167-E234 PolarHBondContact NZ-OE1 3.44Å; L171-E234 HydrophobicContact CD1-CG 3.97Å; E234-T236 VanDerWaalsContact C-N 3.27Å; E234-T236 PolarHBondContact O-N 3.29Å
235Q93.1Very high90.2Very high34 Ų3444.2 Ų44.216%0.15921%0.212CC..THydrogen-bonded Turntrans-74.5-16176.4-54.1100.8-41.900113L171 G172 E233 F237 H254 Y256L171-Q235 HydrophobicContact CB-CG 3.67Å; L171-Q235 HydrophobicContact CD1-CG 4.24Å; G172-Q235 WeakPolarHBondContact O-CB 3.44Å; G172-Q235 WeakPolarHBondContact O-CG 3.35Å; E233-Q235 PolarHBondContact O-N 3.43Å; Q235-F237 WeakPolarHBondContact O-CD1 3.34Å; Q235-H254 PolarHBondContact O-ND1 2.9Å; Q235-Y256 HydrophobicContact CB-CD2 3.88Å; Q235-Y256 HydrophobicContact CG-CD2 4.18Å
236T93.6Very high90.4Very high15 Ų1548.3 Ų48.39%0.09223%0.23CC..  trans-84.6113.8176.8-67.80000109P228 E233 E234 H254 Y256P228-T236 HydrophobicContact CB-CG2 4.03Å; P228-T236 HydrophobicContact CG-CG2 3.71Å; E233-T236 WeakPolarHBondContact O-CB 3.34Å; E233-T236 PolarHBondContact O-N 3.03Å; E233-T236 PolarHBondContact OE2-OG1 2.7Å; E234-T236 VanDerWaalsContact C-N 3.27Å; E234-T236 PolarHBondContact O-N 3.29Å; T236-H254 CarbonylContact C-O 3.6Å; T236-H254 WeakPolarHBondContact CA-O 3.43Å; T236-Y256 WeakPolarHBondContact OG1-CB 3.45Å; T236-Y256 PolarHBondContact OG1-N 3.05Å
237F95.6Very high90.6Very high4 Ų453.6 Ų53.62%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-145.3156.6-175.965-98.9000112.7M39 L43 H168 Q235 Y239 L252 F253 H254M39-F237 HydrophobicContact CE-CE1 4.5Å; L43-F237 HydrophobicContact CD1-CE2 4.26Å; L43-F237 HydrophobicContact CD1-CZ 3.84Å; H168-F237 HydrophobicContact CB-CD1 4.11Å; H168-F237 HydrophobicContact CB-CE1 3.45Å; H168-F237 VanDerWaalsContact CB-CE1 3.45Å; H168-F237 HydrophobicContact CB-CZ 3.95Å; H168-F237 AromaticContact CD2-CD1 3.49Å; H168-F237 VanDerWaalsContact CD2-CD1 3.49Å; H168-F237 WeakPolarHBondContact CD2-CD1 3.46Å; H168-F237 AromaticContact CD2-CE1 3.55Å; H168-F237 AromaticContact CD2-CG 3.8Å; H168-F237 AromaticContact CD2-CZ 3.87Å; H168-F237 AromaticContact CE1-CD1 3.35Å; H168-F237 WeakPolarHBondContact CE1-CD1 2.96Å; H168-F237 AromaticContact CE1-CG 3.77Å; H168-F237 AromaticContact CG-CD1 3.39Å; H168-F237 AromaticContact CG-CE1 3.25Å; H168-F237 AromaticContact CG-CZ 3.92Å; H168-F237 AromaticContact ND1-CD1 3.32Å; H168-F237 VanDerWaalsContact ND1-CD1 3.32Å; H168-F237 WeakPolarHBondContact ND1-CD1 3.34Å; H168-F237 AromaticContact ND1-CE1 3.62Å; H168-F237 AromaticContact NE2-CD1 3.47Å; H168-F237 WeakPolarHBondContact NE2-CD1 3.21Å; H168-F237 AromaticContact NE2-CG 3.54Å; Q235-F237 WeakPolarHBondContact O-CD1 3.34Å; F237-Y239 HydrophobicContact CB-CE2 4.06Å; F237-Y239 AromaticContact CD2-CD2 3.52Å; F237-Y239 HydrophobicContact CD2-CD2 3.52Å; F237-Y239 AromaticContact CD2-CE2 3.3Å; F237-Y239 HydrophobicContact CD2-CE2 3.3Å; F237-Y239 HydrophobicContact CE2-CD2 4.01Å; F237-Y239 AromaticContact CE2-CE2 3.92Å; F237-Y239 HydrophobicContact CE2-CE2 3.92Å; F237-Y239 HydrophobicContact CG-CD2 4.45Å; F237-Y239 AromaticContact CG-CE2 3.85Å; F237-Y239 HydrophobicContact CG-CE2 3.85Å; F237-L252 HydrophobicContact CE2-CD2 4.14Å; F237-L252 HydrophobicContact CE2-CG 4.25Å; F237-F253 CarbonylContact O-C 3.5Å; F237-F253 WeakPolarHBondContact O-CA 3.32Å; F237-F253 WeakPolarHBondContact O-CB 3.41Å; F237-H254 HydrophobicContact CD1-CB 3.91Å; F237-H254 HydrophobicContact CD2-CB 4.45Å; F237-H254 HydrophobicContact CE1-CB 3.38Å; F237-H254 HydrophobicContact CE2-CB 4.01Å; F237-H254 HydrophobicContact CG-CB 4.42Å; F237-H254 HydrophobicContact CZ-CB 3.46Å; F237-H254 VanDerWaalsContact CZ-CB 3.46Å; F237-H254 PolarHBondContact N-O 3.45Å; F237-H254 PolarHBondContact O-N 2.82Å
238A96.3Very high90.9Very high1 Ų154.8 Ų54.81%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-143.6141.5168.500000110.9K216 V217 F227 P228 L251 L252 F253K216-A238 WeakPolarHBondContact CA-O 3.49Å; V217-A238 HydrophobicContact CG2-CB 3.86Å; V217-A238 PolarHBondContact N-O 2.97Å; F227-A238 HydrophobicContact CD1-CB 4.2Å; F227-A238 HydrophobicContact CE1-CB 3.32Å; F227-A238 HydrophobicContact CZ-CB 3.74Å; P228-A238 HydrophobicContact CB-CB 4.11Å; P228-A238 HydrophobicContact CG-CB 3.89Å; A238-L251 HydrophobicContact CB-CD1 4.48Å; A238-L252 CarbonylContact C-O 3.55Å; A238-L252 WeakPolarHBondContact CA-O 3.43Å; A238-F253 HydrophobicContact CB-CB 3.75Å
239Y98.2Very high91.4Very high3 Ų354.6 Ų54.61%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-132.5131.7179.1-61.3-76.7000110.6V99 F161 H168 V214 L215 K216 F237 L251 L252V99-Y239 HydrophobicContact CG2-CD1 4.27Å; V99-Y239 HydrophobicContact CG2-CE1 3.99Å; F161-Y239 HydrophobicContact CD2-CD1 4.36Å; F161-Y239 HydrophobicContact CD2-CE1 4.39Å; F161-Y239 HydrophobicContact CD2-CG 4.49Å; F161-Y239 HydrophobicContact CE2-CD1 4.13Å; F161-Y239 AromaticContact CE2-CD2 3.77Å; F161-Y239 HydrophobicContact CE2-CD2 3.77Å; F161-Y239 HydrophobicContact CE2-CE1 4.4Å; F161-Y239 HydrophobicContact CE2-CE2 4.04Å; F161-Y239 AromaticContact CE2-CG 3.81Å; F161-Y239 HydrophobicContact CE2-CG 3.81Å; H168-Y239 AromaticContact CD2-CE2 3.93Å; H168-Y239 AromaticContact NE2-CE2 3.7Å; H168-Y239 AromaticContact NE2-CZ 3.75Å; H168-Y239 PolarHBondContact NE2-OH 3.36Å; V214-Y239 HydrophobicContact CG1-CD1 4Å; V214-Y239 HydrophobicContact CG1-CG 4.42Å; L215-Y239 CarbonylContact O-C 3.54Å; L215-Y239 WeakPolarHBondContact O-CA 3.47Å; K216-Y239 HydrophobicContact CB-CD1 3.88Å; K216-Y239 HydrophobicContact CB-CE1 3.68Å; K216-Y239 HydrophobicContact CD-CE1 4.34Å; K216-Y239 HydrophobicContact CG-CD1 4.18Å; K216-Y239 HydrophobicContact CG-CE1 3.74Å; F237-Y239 HydrophobicContact CB-CE2 4.06Å; F237-Y239 AromaticContact CD2-CD2 3.52Å; F237-Y239 HydrophobicContact CD2-CD2 3.52Å; F237-Y239 AromaticContact CD2-CE2 3.3Å; F237-Y239 HydrophobicContact CD2-CE2 3.3Å; F237-Y239 HydrophobicContact CE2-CD2 4.01Å; F237-Y239 AromaticContact CE2-CE2 3.92Å; F237-Y239 HydrophobicContact CE2-CE2 3.92Å; F237-Y239 HydrophobicContact CG-CD2 4.45Å; F237-Y239 AromaticContact CG-CE2 3.85Å; F237-Y239 HydrophobicContact CG-CE2 3.85Å; Y239-L251 WeakPolarHBondContact O-CA 3.2Å; Y239-L252 HydrophobicContact CD2-CD2 4.27Å; Y239-L252 PolarHBondContact N-O 3.32Å; Y239-L252 PolarHBondContact O-N 2.81Å
240L97.8Very high92.1Very high0 Ų054.3 Ų54.30%025%0.251CS..EExtended strand (participates in β ladder)trans-92.3122.7161.6-63.5178000108.7A63 F66 F67 V214 L215 V217 V249 L251A63-L240 HydrophobicContact CB-CD1 3.91Å; F66-L240 HydrophobicContact CB-CD1 4.48Å; F66-L240 HydrophobicContact CD1-CD1 4.25Å; F66-L240 HydrophobicContact CD1-CD2 3.79Å; F66-L240 HydrophobicContact CE1-CD2 3.61Å; F66-L240 HydrophobicContact CE2-CD2 4.4Å; F66-L240 HydrophobicContact CG-CD1 4.36Å; F66-L240 HydrophobicContact CG-CD2 4.26Å; F66-L240 HydrophobicContact CZ-CD2 3.94Å; F67-L240 HydrophobicContact CE2-CD1 4.42Å; V214-L240 WeakPolarHBondContact CA-O 3.32Å; L215-L240 HydrophobicContact CB-CB 4.3Å; L215-L240 HydrophobicContact CD1-CB 4.47Å; L215-L240 PolarHBondContact N-O 3.11Å; L215-L240 PolarHBondContact O-N 3.23Å; V217-L240 HydrophobicContact CG1-CB 4.41Å; V217-L240 HydrophobicContact CG1-CD1 3.83Å; V217-L240 HydrophobicContact CG1-CG 3.85Å; V217-L240 HydrophobicContact CG2-CG 4.09Å; L240-V249 HydrophobicContact CB-CG2 4.01Å; L240-V249 HydrophobicContact CD2-CG2 3.92Å; L240-V249 HydrophobicContact CG-CG2 4.45Å; L240-L251 HydrophobicContact CD2-CB 4.05Å; L240-L251 HydrophobicContact CD2-CD1 3.6Å; L240-L251 HydrophobicContact CD2-CG 4.41Å; L240-L251 HydrophobicContact CG-CD1 4.48Å
241I97.5Very high92.9Very high4 Ų447 Ų472%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-110.7100.1178.7-60.1151000106.8F161 L196 I197 T213 V214 V249 T250 L252F161-I241 HydrophobicContact CE1-CD1 4.43Å; F161-I241 HydrophobicContact CZ-CD1 4.14Å; L196-I241 HydrophobicContact CB-CD1 4.08Å; L196-I241 HydrophobicContact CD1-CD1 3.94Å; L196-I241 HydrophobicContact CD2-CD1 3.95Å; L196-I241 HydrophobicContact CG-CD1 4.22Å; I197-I241 HydrophobicContact CD1-CG2 3.84Å; T213-I241 WeakPolarHBondContact O-CA 3.42Å; V214-I241 HydrophobicContact CG1-CG1 4.33Å; V214-I241 HydrophobicContact CG2-CG1 4.34Å; I241-V249 CarbonylContact O-C 3.52Å; I241-V249 WeakPolarHBondContact O-CA 3.24Å; I241-T250 PolarHBondContact N-O 2.98Å; I241-T250 PolarHBondContact O-N 3.2Å; I241-L252 HydrophobicContact CD1-CB 4.01Å
242V96.6Very high93.7Very high0 Ų038.2 Ų38.20%019%0.186CC..EExtended strand (participates in β ladder)trans-93.5120.9-174.5-171.70000109.5F50 F54 F62 S212 T213 L215 P244 V249F50-V242 HydrophobicContact CE1-CG1 3.86Å; F50-V242 HydrophobicContact CZ-CG1 3.97Å; F54-V242 HydrophobicContact CB-CG1 4.11Å; F54-V242 HydrophobicContact CD1-CB 4.42Å; F54-V242 HydrophobicContact CD1-CG1 3.68Å; F54-V242 HydrophobicContact CD2-CG1 3.91Å; F54-V242 HydrophobicContact CE1-CB 4.27Å; F54-V242 HydrophobicContact CE1-CG1 4.01Å; F54-V242 HydrophobicContact CE2-CG1 4.22Å; F54-V242 HydrophobicContact CE2-CG2 4.27Å; F54-V242 HydrophobicContact CG-CG1 3.62Å; F54-V242 HydrophobicContact CZ-CB 4.35Å; F54-V242 HydrophobicContact CZ-CG1 4.27Å; F54-V242 HydrophobicContact CZ-CG2 4.3Å; F62-V242 HydrophobicContact CD1-CG2 4.22Å; F62-V242 HydrophobicContact CE1-CG1 4.48Å; F62-V242 HydrophobicContact CE1-CG2 3.6Å; F62-V242 HydrophobicContact CZ-CG1 4.24Å; F62-V242 HydrophobicContact CZ-CG2 4.15Å; S212-V242 CarbonylContact C-O 3.47Å; S212-V242 VanDerWaalsContact CA-O 3.28Å; S212-V242 WeakPolarHBondContact CA-O 3.41Å; T213-V242 PolarHBondContact N-O 2.6Å; T213-V242 PolarHBondContact O-N 3.05Å; L215-V242 HydrophobicContact CD1-CG2 4.47Å; V242-P244 WeakPolarHBondContact O-CD 3.48Å; V242-V249 HydrophobicContact CG2-CB 4.48Å; V242-V249 HydrophobicContact CG2-CG2 4.02Å
243D94.4Very high94.4Very high9 Ų929.8 Ų29.85%0.04815%0.146CC..EExtended strand (participates in β ladder)trans-103.2100.1169.4-173.5-31.9000108.9S198 V245 K246 R247 N248S198-D243 WeakPolarHBondContact CB-OD2 3.49Å; S198-D243 PolarHBondContact OG-OD2 3.36Å; D243-V245 PolarHBondContact O-N 2.82Å; D243-V245 PolarHBondContact OD1-N 2.86Å; D243-K246 HydrophobicContact CB-CB 4.27Å; D243-K246 PolarHBondContact OD1-N 3.11Å; D243-K246 WeakPolarHBondContact OD2-CD 3.38Å; D243-K246 WeakPolarHBondContact OD2-CE 3.39Å; D243-K246 WeakPolarHBondContact OD2-CG 3.38Å; D243-K246 IonicContact OD2-NZ 3Å; D243-R247 WeakPolarHBondContact O-CA 3.18Å; D243-R247 PolarHBondContact O-N 3.43Å; D243-N248 PolarHBondContact N-O 2.81Å; D243-N248 PolarHBondContact O-N 2.93Å; D243-N248 VanDerWaalsContact O-N 3.13Å
244P90.6Very high94.6Very high47 Ų4727.5 Ų27.531%0.30514%0.136SC..THydrogen-bonded Turntrans-67.9-24.6-177.926.8-34.7000113F54 V211 V242F54-P244 HydrophobicContact CD1-CB 4.48Å; V211-P244 HydrophobicContact CG1-CG 4.24Å; V242-P244 WeakPolarHBondContact O-CD 3.48Å
245V89.4Confident94.7Very high107 Ų10724.2 Ų24.265%0.64812%0.121SC*.THydrogen-bonded Turntrans-78-45.6-178.3177.20000110.3V211 D243 R247V211-V245 HydrophobicContact CG1-CB 4.42Å; V211-V245 HydrophobicContact CG1-CG2 3.65Å; D243-V245 PolarHBondContact O-N 2.82Å; D243-V245 PolarHBondContact OD1-N 2.86Å; V245-R247 VanDerWaalsContact C-N 3.26Å; V245-R247 PolarHBondContact O-N 2.96Å
246K91.1Very high94.6Very high118 Ų11826.4 Ų26.451%0.51313%0.128SC..THydrogen-bonded Turntrans-80.2-8.2175.6-60.9-179.7-170158.40113.1S198 D243 N248S198-K246 PolarHBondContact OG-NZ 2.8Å; D243-K246 HydrophobicContact CB-CB 4.27Å; D243-K246 PolarHBondContact OD1-N 3.11Å; D243-K246 WeakPolarHBondContact OD2-CD 3.38Å; D243-K246 WeakPolarHBondContact OD2-CE 3.39Å; D243-K246 WeakPolarHBondContact OD2-CG 3.38Å; D243-K246 IonicContact OD2-NZ 3Å; K246-N248 HydrophobicContact CB-CB 4.31Å; K246-N248 PolarHBondContact O-N 3.09Å; K246-N248 PolarHBondContact O-ND2 3.33Å; K246-N248 PolarHBondContact O-OD1 3.09Å
247R93.3Very high94.4Very high112 Ų11226.3 Ų26.342%0.42313%0.13SC..THydrogen-bonded Turntrans50.543.9-171.6-63-176.3174-176.8-4.6112.9S49 F50 N53 D243 V245S49-R247 WeakPolarHBondContact CA-O 3.31Å; F50-R247 WeakPolarHBondContact CD1-O 3.35Å; F50-R247 HydrophobicContact CD2-CB 4.26Å; F50-R247 HydrophobicContact CE2-CB 3.98Å; F50-R247 HydrophobicContact CE2-CG 4.18Å; F50-R247 HydrophobicContact CZ-CB 4.19Å; F50-R247 PolarHBondContact N-O 2.71Å; N53-R247 PolarHBondContact OD1-NH2 3.36Å; D243-R247 WeakPolarHBondContact O-CA 3.18Å; D243-R247 PolarHBondContact O-N 3.43Å; V245-R247 VanDerWaalsContact C-N 3.26Å; V245-R247 PolarHBondContact O-N 2.96Å
248N94.6Very high94.2Very high25 Ų2529.5 Ų29.513%0.13415%0.15CC..EExtended strand (participates in β ladder)trans-123.1141.7-179-70.3-31.8000109.9L17 T47 Y48 F50 D243 K246L17-N248 WeakPolarHBondContact CD1-OD1 3.4Å; T47-N248 HydrophobicContact CG2-CB 3.89Å; Y48-N248 CarbonylContact O-C 3.59Å; Y48-N248 VanDerWaalsContact O-CA 3.28Å; Y48-N248 WeakPolarHBondContact O-CA 3.48Å; F50-N248 VanDerWaalsContact CE1-C 3.5Å; D243-N248 PolarHBondContact N-O 2.81Å; D243-N248 PolarHBondContact O-N 2.93Å; D243-N248 VanDerWaalsContact O-N 3.13Å; K246-N248 HydrophobicContact CB-CB 4.31Å; K246-N248 PolarHBondContact O-N 3.09Å; K246-N248 PolarHBondContact O-ND2 3.33Å; K246-N248 PolarHBondContact O-OD1 3.09Å
249V96.2Very high93.8Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-116.4130.4166.957.90000108.9F14 T47 Y48 F50 F62 F66 L240 I241 V242F14-V249 HydrophobicContact CD1-CG1 3.92Å; F14-V249 HydrophobicContact CE1-CG1 3.93Å; T47-V249 CarbonylContact C-O 3.48Å; T47-V249 WeakPolarHBondContact CA-O 3.44Å; Y48-V249 PolarHBondContact N-O 2.74Å; Y48-V249 PolarHBondContact O-N 2.73Å; F50-V249 HydrophobicContact CD1-CB 4.34Å; F50-V249 HydrophobicContact CD1-CG1 4.29Å; F50-V249 HydrophobicContact CE1-CB 4.48Å; F62-V249 HydrophobicContact CE1-CB 4.26Å; F62-V249 HydrophobicContact CE1-CG2 4.08Å; F62-V249 HydrophobicContact CZ-CB 4.05Å; F62-V249 HydrophobicContact CZ-CG1 4.2Å; F62-V249 HydrophobicContact CZ-CG2 4.38Å; F66-V249 HydrophobicContact CD2-CG1 3.89Å; F66-V249 HydrophobicContact CE2-CG1 3.68Å; L240-V249 HydrophobicContact CB-CG2 4.01Å; L240-V249 HydrophobicContact CD2-CG2 3.92Å; L240-V249 HydrophobicContact CG-CG2 4.45Å; I241-V249 CarbonylContact O-C 3.52Å; I241-V249 WeakPolarHBondContact O-CA 3.24Å; V242-V249 HydrophobicContact CG2-CB 4.48Å; V242-V249 HydrophobicContact CG2-CG2 4.02Å
250T96.8Very high93.4Very high6 Ų634.4 Ų34.44%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-105120.6171.6-65.60000109.1F22 A45 Q46 T47 L196 I241F22-T250 HydrophobicContact CE1-CG2 4.02Å; F22-T250 HydrophobicContact CE2-CG2 4.32Å; F22-T250 HydrophobicContact CZ-CG2 3.44Å; F22-T250 VanDerWaalsContact CZ-CG2 3.44Å; A45-T250 HydrophobicContact CB-CG2 4.12Å; Q46-T250 CarbonylContact O-C 3.6Å; Q46-T250 VanDerWaalsContact O-CA 3.24Å; Q46-T250 WeakPolarHBondContact O-CA 3.5Å; T47-T250 PolarHBondContact OG1-OG1 3.5Å; L196-T250 HydrophobicContact CD2-CG2 3.82Å; I241-T250 PolarHBondContact N-O 2.98Å; I241-T250 PolarHBondContact O-N 3.2Å
251L96.1Very high92.9Very high0 Ų038.9 Ų38.90%020%0.195CC..EExtended strand (participates in β ladder)trans-87110.8168.4176.370.9000108.3A45 Q46 Y48 F66 F67 L76 V217 F227 A238 Y239 L240 F253A45-L251 CarbonylContact C-O 3.59Å; A45-L251 VanDerWaalsContact CA-O 3.24Å; A45-L251 WeakPolarHBondContact CA-O 3.24Å; Q46-L251 PolarHBondContact N-O 2.96Å; Q46-L251 PolarHBondContact O-N 3.12Å; Y48-L251 HydrophobicContact CE2-CB 4.38Å; F66-L251 HydrophobicContact CE1-CB 4.36Å; F66-L251 HydrophobicContact CE1-CD1 4.44Å; F66-L251 HydrophobicContact CE1-CD2 4.2Å; F66-L251 HydrophobicContact CZ-CB 4.06Å; F66-L251 HydrophobicContact CZ-CD2 4.43Å; F67-L251 HydrophobicContact CZ-CD1 4.37Å; L76-L251 HydrophobicContact CD1-CD2 4.4Å; L76-L251 HydrophobicContact CD2-CD2 3.59Å; V217-L251 HydrophobicContact CG2-CD1 4.5Å; F227-L251 HydrophobicContact CE1-CD1 3.95Å; F227-L251 HydrophobicContact CZ-CD1 3.95Å; F227-L251 HydrophobicContact CZ-CD2 3.92Å; F227-L251 HydrophobicContact CZ-CG 4.34Å; A238-L251 HydrophobicContact CB-CD1 4.48Å; Y239-L251 WeakPolarHBondContact O-CA 3.2Å; L240-L251 HydrophobicContact CD2-CB 4.05Å; L240-L251 HydrophobicContact CD2-CD1 3.6Å; L240-L251 HydrophobicContact CD2-CG 4.41Å; L240-L251 HydrophobicContact CG-CD1 4.48Å; L251-F253 HydrophobicContact CD2-CD1 3.95Å; L251-F253 HydrophobicContact CD2-CE1 4.15Å; L251-F253 HydrophobicContact CG-CD1 3.93Å
252L96.4Very high92.4Very high0 Ų043.7 Ų43.70%023%0.225CC..EExtended strand (participates in β ladder)trans-100.9128.8168.7176.177.2000108.5F24 L43 S44 A45 F161 L165 L196 F237 A238 Y239 I241F24-L252 HydrophobicContact CZ-CD1 4.26Å; L43-L252 HydrophobicContact CD1-CD1 4Å; S44-L252 CarbonylContact O-C 3.6Å; S44-L252 WeakPolarHBondContact O-CA 3.26Å; A45-L252 HydrophobicContact CB-CD1 4.09Å; F161-L252 HydrophobicContact CZ-CD2 4.1Å; L165-L252 HydrophobicContact CD1-CD2 4.35Å; L196-L252 HydrophobicContact CD1-CD1 4.21Å; L196-L252 HydrophobicContact CD1-CD2 3.71Å; L196-L252 HydrophobicContact CD1-CG 4.39Å; F237-L252 HydrophobicContact CE2-CD2 4.14Å; F237-L252 HydrophobicContact CE2-CG 4.25Å; A238-L252 CarbonylContact C-O 3.55Å; A238-L252 WeakPolarHBondContact CA-O 3.43Å; Y239-L252 HydrophobicContact CD2-CD2 4.27Å; Y239-L252 PolarHBondContact N-O 3.32Å; Y239-L252 PolarHBondContact O-N 2.81Å; I241-L252 HydrophobicContact CD1-CB 4.01Å
253F94.8Very high91.6Very high2 Ų250 Ų501%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-148.8157.5174.867.8-82.7000112.7L43 S44 L76 M79 F227 F237 A238 L251 I255L43-F253 CarbonylContact C-O 3.46Å; L43-F253 WeakPolarHBondContact CA-O 3.43Å; S44-F253 PolarHBondContact N-O 2.84Å; S44-F253 PolarHBondContact O-N 3.39Å; L76-F253 HydrophobicContact CD2-CE1 4.42Å; M79-F253 HydrophobicContact CE-CZ 4.24Å; M79-F253 HydrophobicContact SD-CE1 4.34Å; M79-F253 HydrophobicContact SD-CZ 3.57Å; M79-F253 VanDerWaalsContact SD-CZ 3.57Å; F227-F253 HydrophobicContact CE2-CB 4.38Å; F227-F253 HydrophobicContact CE2-CD1 4.39Å; F227-F253 HydrophobicContact CE2-CD2 4.03Å; F227-F253 HydrophobicContact CE2-CE2 4.37Å; F227-F253 HydrophobicContact CE2-CG 4.02Å; F227-F253 HydrophobicContact CZ-CB 3.82Å; F227-F253 HydrophobicContact CZ-CD1 4.09Å; F227-F253 HydrophobicContact CZ-CD2 4.27Å; F227-F253 AromaticContact CZ-CG 3.8Å; F227-F253 HydrophobicContact CZ-CG 3.8Å; F237-F253 CarbonylContact O-C 3.5Å; F237-F253 WeakPolarHBondContact O-CA 3.32Å; F237-F253 WeakPolarHBondContact O-CB 3.41Å; A238-F253 HydrophobicContact CB-CB 3.75Å; L251-F253 HydrophobicContact CD2-CD1 3.95Å; L251-F253 HydrophobicContact CD2-CE1 4.15Å; L251-F253 HydrophobicContact CG-CD1 3.93Å; F253-I255 HydrophobicContact CD2-CD1 3.98Å; F253-I255 HydrophobicContact CD2-CG1 4.17Å; F253-I255 HydrophobicContact CE2-CD1 3.98Å
254H93.9Very high91.4Very high0 Ų052.1 Ų52.10%027%0.268CS..EExtended strand (participates in β ladder)trans-137.2138.9171.8175.8-105.3000109.3M39 R42 L43 Q235 T236 F237M39-H254 HydrophobicContact CE-CB 4.42Å; R42-H254 WeakPolarHBondContact O-CA 3.43Å; L43-H254 HydrophobicContact CD1-CB 3.98Å; Q235-H254 PolarHBondContact O-ND1 2.9Å; T236-H254 CarbonylContact C-O 3.6Å; T236-H254 WeakPolarHBondContact CA-O 3.43Å; F237-H254 HydrophobicContact CD1-CB 3.91Å; F237-H254 HydrophobicContact CD2-CB 4.45Å; F237-H254 HydrophobicContact CE1-CB 3.38Å; F237-H254 HydrophobicContact CE2-CB 4.01Å; F237-H254 HydrophobicContact CG-CB 4.42Å; F237-H254 HydrophobicContact CZ-CB 3.46Å; F237-H254 VanDerWaalsContact CZ-CB 3.46Å; F237-H254 PolarHBondContact N-O 3.45Å; F237-H254 PolarHBondContact O-N 2.82Å
255I91.8Very high91.5Very high22 Ų2252.3 Ų52.311%0.11327%0.266CS..  trans-121.1118.1178-64.8166.3000107.9R42 V83 M85 P228 F253R42-I255 WeakPolarHBondContact CD-O 3.35Å; R42-I255 PolarHBondContact NE-O 3.36Å; V83-I255 HydrophobicContact CG1-CB 4.26Å; V83-I255 HydrophobicContact CG1-CD1 3.25Å; V83-I255 HydrophobicContact CG1-CG1 4.26Å; M85-I255 HydrophobicContact SD-CD1 3.63Å; P228-I255 HydrophobicContact CB-CD1 4.4Å; P228-I255 HydrophobicContact CB-CG1 3.95Å; P228-I255 WeakPolarHBondContact O-CD1 3.42Å; P228-I255 WeakPolarHBondContact O-CG1 3.24Å; F253-I255 HydrophobicContact CD2-CD1 3.98Å; F253-I255 HydrophobicContact CD2-CG1 4.17Å; F253-I255 HydrophobicContact CE2-CD1 3.98Å
256Y92Very high91.6Very high80 Ų8049.3 Ų49.331%0.31425%0.245SC..  trans-53.8143.5-177.5-178.7-107.4000112.1A174 E233 Q235 T236A174-Y256 HydrophobicContact CB-CE1 4.29Å; A174-Y256 HydrophobicContact CB-CE2 4.07Å; E233-Y256 HydrophobicContact CB-CD1 4.33Å; E233-Y256 HydrophobicContact CB-CG 4.2Å; E233-Y256 HydrophobicContact CG-CD1 3.81Å; E233-Y256 HydrophobicContact CG-CE1 4.5Å; E233-Y256 HydrophobicContact CG-CG 4.19Å; Q235-Y256 HydrophobicContact CB-CD2 3.88Å; Q235-Y256 HydrophobicContact CG-CD2 4.18Å; T236-Y256 WeakPolarHBondContact OG1-CB 3.45Å; T236-Y256 PolarHBondContact OG1-N 3.05Å
257G89.9Confident91.6Very high13 Ų1345.2 Ų45.213%0.13423%0.229CC..SBendtrans146.5-166.9-178.600000112A174A174-G257 VanDerWaalsContact CB-C 3.49Å; A174-G257 WeakPolarHBondContact CB-O 3.47Å; A174-G257 PolarHBondContact N-O 2.93Å
258V91.3Very high91.5Very high71 Ų7141.1 Ų41.143%0.4322%0.217SC..  trans-87.2113.1-177.5-179.50000110.1R42 A174 L175 M261R42-V258 PolarHBondContact NH1-O 3.18Å; A174-V258 HydrophobicContact CB-CG2 4.1Å; L175-V258 HydrophobicContact CD1-CG1 3.75Å; L175-V258 HydrophobicContact CD1-CG2 4.14Å; L175-V258 HydrophobicContact CG-CG1 4.37Å; L175-V258 HydrophobicContact CG-CG2 4.13Å; V258-M261 HydrophobicContact CG1-CE 3.52Å
259G88.1Confident91.3Very high7 Ų742.1 Ų42.17%0.07222%0.223CC..  trans-66.1172.1174.800000113.9S38 L40S38-G259 WeakPolarHBondContact O-CA 3.27Å; S38-G259 PolarHBondContact O-N 3.43Å; S38-G259 PolarHBondContact OG-N 3.47Å; L40-G259 CarbonylContact O-C 3.56Å; L40-G259 VanDerWaalsContact O-CA 3.24Å; L40-G259 WeakPolarHBondContact O-CA 3.35Å
260K89.6Confident91Very high99 Ų9945.1 Ų45.143%0.4324%0.239SC..  trans-60.6136.3170.2-67.2-176.5176.9-1760109.2M35 L40 E80M35-K260 WeakPolarHBondContact CG-O 3.5Å; L40-K260 HydrophobicContact CB-CB 4.48Å; L40-K260 HydrophobicContact CD2-CB 4.01Å; L40-K260 HydrophobicContact CG-CB 4.08Å; L40-K260 PolarHBondContact O-N 3.36Å; E80-K260 IonicContact OE2-NZ 3.41Å; E80-K260 PolarHBondContact OE2-NZ 3.36Å
261M87Confident90.5Very high94 Ų9448.2 Ų48.246%0.46325%0.254SS..SBendtrans-100.16.6179.9-63.5-62.6166.700113.1L175 V258L175-M261 HydrophobicContact CB-CE 4.18Å; L175-M261 HydrophobicContact CD1-CE 3.56Å; L175-M261 HydrophobicContact CG-CE 4.39Å; V258-M261 HydrophobicContact CG1-CE 3.52Å
262T85.9Confident90.1Very high106 Ų10652.2 Ų52.265%0.6528%0.276SS*.  trans-136.6138.1179.754.30000108.6
263L80.3Confident89.5Confident132 Ų13256.9 Ų56.969%0.69130%0.301SS*.  trans-770172.6-66.8174.4000111.6K28 L31 M35 L40K28-L263 HydrophobicContact CG-CD1 4.48Å; L31-L263 HydrophobicContact CB-CD2 3.52Å; M35-L263 HydrophobicContact SD-CG 4.2Å; L40-L263 HydrophobicContact CD2-CD2 3.82Å

Retrieved 263 of 263 residues in 152.1 ms (Link to these results)

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