A0A096ND71_PAPAN Loading...

Cytochrome P450 family 8 subfamily B member 1

AlphaFold DB , UniProt , Accession A0A096ND71, Species PAPAN (Papio anubis, Olive baboon), Gene CYP8B1, Length 496 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
1M50.3Low75.2Confident237 Ų237104.7 Ų104.7100%1.16760%0.597SS**  0106.40-76.6-172.2-90.400107.8L3M1-L3 PolarHBondContact O-N 2.86Å
2V55.4Low75.9Confident112 Ų112105.3 Ų105.368%0.67960%0.596SS**  trans-70.6123.5179.9176.30000108.1W4V2-W4 VanDerWaalsContact C-N 3.25Å; V2-W4 HydrophobicContact CG1-CD2 4.49Å; V2-W4 HydrophobicContact CG1-CG 4.49Å; V2-W4 PolarHBondContact O-N 2.66Å
3L63.1Low76.6Confident134 Ų134105.2 Ų105.270%0.70260%0.599SS**  trans-68.979.7177.5-85.1146.3000109.5M1 G5 P6M1-L3 PolarHBondContact O-N 2.86Å; L3-G5 PolarHBondContact O-N 3.46Å; L3-P6 HydrophobicContact CB-CG 4.1Å; L3-P6 HydrophobicContact CD2-CG 4.15Å; L3-P6 WeakPolarHBondContact O-CD 3.31Å
4W75.3Confident77.3Confident175 Ų175105 Ų10566%0.66360%0.6SS**Hα-helixtrans-69.4-22174.1-71.798.2000112.6V2 V7 L8V2-W4 VanDerWaalsContact C-N 3.25Å; V2-W4 HydrophobicContact CG1-CD2 4.49Å; V2-W4 HydrophobicContact CG1-CG 4.49Å; V2-W4 PolarHBondContact O-N 2.66Å; W4-V7 PolarHBondContact O-N 3.42Å; W4-L8 WeakPolarHBondContact O-CB 3.24Å; W4-L8 PolarHBondContact O-N 2.74Å
5G79.5Confident77.5Confident53 Ų53103.6 Ų103.655%0.54659%0.589SS.*Hα-helixtrans-60.1-53.7179.900000114.4L3 V7 L8 G9L3-G5 PolarHBondContact O-N 3.46Å; G5-V7 VanDerWaalsContact C-N 3.31Å; G5-V7 PolarHBondContact O-N 2.81Å; G5-L8 PolarHBondContact O-N 3.39Å; G5-G9 PolarHBondContact O-N 2.78Å
6P83.1Confident77.5Confident81 Ų81100.2 Ų100.253%0.52658%0.577SS.*Hα-helixtrans-60.6-36.9175.5-25.233000113.6L3 G9 A10L3-P6 HydrophobicContact CB-CG 4.1Å; L3-P6 HydrophobicContact CD2-CG 4.15Å; L3-P6 WeakPolarHBondContact O-CD 3.31Å; P6-G9 PolarHBondContact O-N 2.83Å; P6-A10 WeakPolarHBondContact O-CB 3.19Å; P6-A10 PolarHBondContact O-N 2.91Å
7V82.9Confident77.5Confident74 Ų7496 Ų9645%0.44856%0.561SS.*Hα-helixtrans-67.9-45.2177.8177.50000110.8W4 G5 G9 A10 L11W4-V7 PolarHBondContact O-N 3.42Å; G5-V7 VanDerWaalsContact C-N 3.31Å; G5-V7 PolarHBondContact O-N 2.81Å; V7-G9 VanDerWaalsContact C-N 3.32Å; V7-G9 PolarHBondContact O-N 2.87Å; V7-A10 PolarHBondContact O-N 2.75Å; V7-L11 HydrophobicContact CG1-CD1 4.17Å; V7-L11 WeakPolarHBondContact O-CB 3.12Å; V7-L11 PolarHBondContact O-N 2.79Å
8L82.8Confident77.6Confident100 Ų100100.4 Ų100.452%0.52457%0.568SS.*Hα-helixtrans-60.5-42.3171.9-107.796.1000111.5W4 G5 L11 L12W4-L8 WeakPolarHBondContact O-CB 3.24Å; W4-L8 PolarHBondContact O-N 2.74Å; G5-L8 PolarHBondContact O-N 3.39Å; L8-L11 PolarHBondContact O-N 3Å; L8-L12 WeakPolarHBondContact O-CB 3.09Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.46Å
9G84.6Confident77.2Confident32 Ų3298.4 Ų98.433%0.3356%0.555SS.*Hα-helixtrans-61.1-47.7178.200000112.4G5 P6 V7 L12 V13G5-G9 PolarHBondContact O-N 2.78Å; P6-G9 PolarHBondContact O-N 2.83Å; V7-G9 VanDerWaalsContact C-N 3.32Å; V7-G9 PolarHBondContact O-N 2.87Å; G9-L12 PolarHBondContact O-N 3.43Å; G9-V13 WeakPolarHBondContact O-CG2 3.12Å; G9-V13 PolarHBondContact O-N 3.35Å
10A84.1Confident76.8Confident58 Ų5895.3 Ų95.348%0.47954%0.54SS..Hα-helixtrans-63-42.8176.500000112P6 V7 L12 V13 V14P6-A10 WeakPolarHBondContact O-CB 3.19Å; P6-A10 PolarHBondContact O-N 2.91Å; V7-A10 PolarHBondContact O-N 2.75Å; A10-L12 PolarHBondContact O-N 2.68Å; A10-V13 PolarHBondContact O-N 2.95Å; A10-V14 WeakPolarHBondContact O-CG2 3.07Å; A10-V14 PolarHBondContact O-N 2.91Å
11L85.9Confident76.4Confident96 Ų9695.6 Ų95.650%0.50354%0.539SS..Hα-helixtrans-59.4-45174.3-95.3155.6000112V7 L8 V13 V14 I15V7-L11 HydrophobicContact CG1-CD1 4.17Å; V7-L11 WeakPolarHBondContact O-CB 3.12Å; V7-L11 PolarHBondContact O-N 2.79Å; L8-L11 PolarHBondContact O-N 3Å; L11-V13 VanDerWaalsContact C-N 3.34Å; L11-V13 PolarHBondContact O-N 3.47Å; L11-V14 PolarHBondContact O-N 2.8Å; L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 WeakPolarHBondContact O-CB 3.17Å; L11-I15 WeakPolarHBondContact O-CD1 3.44Å; L11-I15 WeakPolarHBondContact O-CG1 3.05Å; L11-I15 PolarHBondContact O-N 2.77Å
12L84.6Confident77.1Confident111 Ų11188.1 Ų88.158%0.58151%0.509SS*.Hα-helixtrans-62.6-40.2177.4-74.9169.2000112L8 G9 A10 A16L8-L12 WeakPolarHBondContact O-CB 3.09Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.46Å; G9-L12 PolarHBondContact O-N 3.43Å; A10-L12 PolarHBondContact O-N 2.68Å; L12-A16 WeakPolarHBondContact O-CB 3.08Å; L12-A16 PolarHBondContact O-N 3.1Å
13V84.5Confident77.4Confident105 Ų10583 Ų8364%0.63648%0.478SS*.Hα-helixtrans-66.5-42.7176.6172.50000111.4G9 A10 L11 A16 G17G9-V13 WeakPolarHBondContact O-CG2 3.12Å; G9-V13 PolarHBondContact O-N 3.35Å; A10-V13 PolarHBondContact O-N 2.95Å; L11-V13 VanDerWaalsContact C-N 3.34Å; L11-V13 PolarHBondContact O-N 3.47Å; V13-A16 PolarHBondContact O-N 3.01Å; V13-G17 PolarHBondContact O-N 2.97Å
14V85.8Confident77.5Confident102 Ų10282.4 Ų82.462%0.61847%0.474SS*.Hα-helixtrans-65.2-43.8176.8171.50000111A10 L11 G17 Y18A10-V14 WeakPolarHBondContact O-CG2 3.07Å; A10-V14 PolarHBondContact O-N 2.91Å; L11-V14 PolarHBondContact O-N 2.8Å; V14-G17 PolarHBondContact O-N 2.8Å; V14-Y18 VanDerWaalsContact O-CB 3.31Å; V14-Y18 WeakPolarHBondContact O-CB 3.06Å; V14-Y18 PolarHBondContact O-N 3.26Å
15I80.6Confident77.5Confident84 Ų8480.2 Ų80.243%0.43147%0.474SS..Hα-helixtrans-63.2-46.6176.4-69.3165.1000110.3L11 G17 Y18 L19L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 WeakPolarHBondContact O-CB 3.17Å; L11-I15 WeakPolarHBondContact O-CD1 3.44Å; L11-I15 WeakPolarHBondContact O-CG1 3.05Å; L11-I15 PolarHBondContact O-N 2.77Å; I15-G17 VanDerWaalsContact C-N 3.34Å; I15-G17 PolarHBondContact O-N 3.04Å; I15-Y18 PolarHBondContact O-N 2.76Å; I15-L19 HydrophobicContact CG2-CD1 3.7Å; I15-L19 HydrophobicContact CG2-CG 4.29Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 VanDerWaalsContact O-CG 3.25Å; I15-L19 WeakPolarHBondContact O-CG 3.38Å; I15-L19 PolarHBondContact O-N 3.19Å
16A77.2Confident77.8Confident49 Ų4979 Ų7941%0.40545%0.453SS..Hα-helixtrans-61.4-43.2176.700000111.4L12 V13 C20L12-A16 WeakPolarHBondContact O-CB 3.08Å; L12-A16 PolarHBondContact O-N 3.1Å; V13-A16 PolarHBondContact O-N 3.01Å; A16-C20 WeakPolarHBondContact O-CB 3.25Å; A16-C20 PolarHBondContact O-N 3.1Å; A16-C20 PolarHBondContact O-SG 2.96Å
17G78.8Confident78.2Confident29 Ų2982.6 Ų82.630%0.29946%0.463SS..Hα-helixtrans-59.3-52.4174.200000111.7V13 V14 I15 L19 C20 L21V13-G17 PolarHBondContact O-N 2.97Å; V14-G17 PolarHBondContact O-N 2.8Å; I15-G17 VanDerWaalsContact C-N 3.34Å; I15-G17 PolarHBondContact O-N 3.04Å; G17-L19 PolarHBondContact O-N 3.49Å; G17-C20 PolarHBondContact O-N 3.34Å; G17-L21 WeakPolarHBondContact O-CB 3.48Å; G17-L21 VanDerWaalsContact O-CD1 3.25Å; G17-L21 WeakPolarHBondContact O-CD1 3.38Å; G17-L21 WeakPolarHBondContact O-CG 3.11Å; G17-L21 PolarHBondContact O-N 2.79Å
18Y78.7Confident78.8Confident175 Ų17585.4 Ų85.469%0.68647%0.465SS*.Hα-helixtrans-59.8-41.4-180179.5-98.1000113V14 I15 P22V14-Y18 VanDerWaalsContact O-CB 3.31Å; V14-Y18 WeakPolarHBondContact O-CB 3.06Å; V14-Y18 PolarHBondContact O-N 3.26Å; I15-Y18 PolarHBondContact O-N 2.76Å; Y18-P22 WeakPolarHBondContact O-CD 3.49Å
19L70.4Confident79.3Confident62 Ų6285.7 Ų85.733%0.32546%0.459SS..Hα-helixtrans-72.8-42.5178.2-66.9174.3000111.8I15 G17 W42I15-L19 HydrophobicContact CG2-CD1 3.7Å; I15-L19 HydrophobicContact CG2-CG 4.29Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 VanDerWaalsContact O-CG 3.25Å; I15-L19 WeakPolarHBondContact O-CG 3.38Å; I15-L19 PolarHBondContact O-N 3.19Å; G17-L19 PolarHBondContact O-N 3.49Å; L19-W42 HydrophobicContact CB-CD2 4.49Å; L19-W42 HydrophobicContact CB-CG 4.18Å; L19-W42 HydrophobicContact CD2-CZ2 4.44Å
20C68.6Low79.8Confident36 Ų3689.5 Ų89.524%0.24348%0.478CS..Hα-helixtrans-76.1-33.5-175.7-67.90000113.4A16 G17 G23 M24 P41A16-C20 WeakPolarHBondContact O-CB 3.25Å; A16-C20 PolarHBondContact O-N 3.1Å; A16-C20 PolarHBondContact O-SG 2.96Å; G17-C20 PolarHBondContact O-N 3.34Å; C20-G23 PolarHBondContact O-N 3.19Å; C20-G23 VanDerWaalsContact O-N 3.13Å; C20-M24 HydrophobicContact CB-SD 4.39Å; C20-M24 WeakPolarHBondContact O-CG 3.5Å; C20-M24 PolarHBondContact O-N 3.02Å; C20-P41 HydrophobicContact CB-CB 4.12Å
21L69.4Low80.3Confident102 Ų10294 Ų9453%0.53448%0.483SS..Hα-helixtrans-54.6-53.4-175.8-86.9159.6000113G17 G23 M24 L25G17-L21 WeakPolarHBondContact O-CB 3.48Å; G17-L21 VanDerWaalsContact O-CD1 3.25Å; G17-L21 WeakPolarHBondContact O-CD1 3.38Å; G17-L21 WeakPolarHBondContact O-CG 3.11Å; G17-L21 PolarHBondContact O-N 2.79Å; L21-G23 VanDerWaalsContact C-N 3.3Å; L21-G23 PolarHBondContact O-N 3.33Å; L21-M24 PolarHBondContact O-N 2.99Å; L21-L25 WeakPolarHBondContact O-CD1 3.1Å; L21-L25 WeakPolarHBondContact O-CG 3.12Å; L21-L25 PolarHBondContact O-N 3.5Å; L21-L25 VanDerWaalsContact O-N 3.09Å
22P64.3Low80.8Confident81 Ų8189.8 Ų89.853%0.52646%0.46SS..Hα-helixtrans-62.5-33.3177.6-22.733.3000113.9Y18 R26Y18-P22 WeakPolarHBondContact O-CD 3.49Å; P22-R26 PolarHBondContact O-N 3.05Å
23G61Low81.4Confident4 Ų484.6 Ų84.64%0.04143%0.433CS..Hα-helixtrans-68.8-39176.900000113C20 L21 K37 Y76C20-G23 PolarHBondContact O-N 3.19Å; C20-G23 VanDerWaalsContact O-N 3.13Å; L21-G23 VanDerWaalsContact C-N 3.3Å; L21-G23 PolarHBondContact O-N 3.33Å; G23-K37 PolarHBondContact O-NZ 3.18Å; G23-Y76 WeakPolarHBondContact CA-OH 3.35Å; G23-Y76 PolarHBondContact O-OH 2.87Å
24M65.8Low82Confident122 Ų12281 Ų8160%0.60141%0.412SS*.Hα-helixtrans-70.7-36177.8-69.1178.971.300111.8C20 L21 K37 P41C20-M24 HydrophobicContact CB-SD 4.39Å; C20-M24 WeakPolarHBondContact O-CG 3.5Å; C20-M24 PolarHBondContact O-N 3.02Å; L21-M24 PolarHBondContact O-N 2.99Å; M24-K37 PolarHBondContact O-NZ 3.12Å; M24-P41 HydrophobicContact CG-CB 4.21Å
25L74.2Confident82.6Confident128 Ų12877.9 Ų77.967%0.6739%0.392SS*.Hα-helixtrans-78.3-19.1-174.6-68.1169.1000115.2L21 Q27L21-L25 WeakPolarHBondContact O-CD1 3.1Å; L21-L25 WeakPolarHBondContact O-CG 3.12Å; L21-L25 PolarHBondContact O-N 3.5Å; L21-L25 VanDerWaalsContact O-N 3.09Å; L25-Q27 PolarHBondContact O-N 3.03Å
26R86.9Confident83.3Confident28 Ų2874.8 Ų74.811%0.10638%0.376CS..  trans-65.9120.5179.1-178.475.2-178.5-129.5-1.6110.7P22 E32 L35 K37 Y76 R377 D380P22-R26 PolarHBondContact O-N 3.05Å; R26-E32 IonicContact NH2-OE1 3.59Å; R26-E32 IonicContact NH2-OE2 2.7Å; R26-L35 HydrophobicContact CG-CD2 3.81Å; R26-K37 HydrophobicContact CB-CD 4.39Å; R26-K37 PolarHBondContact O-NZ 3.3Å; R26-Y76 HydrophobicContact CB-CE1 4Å; R26-Y76 HydrophobicContact CB-CE2 4.13Å; R26-Y76 VanDerWaalsContact CB-CZ 3.48Å; R26-Y76 WeakPolarHBondContact CB-OH 3.5Å; R26-Y76 HydrophobicContact CG-CD1 4.34Å; R26-Y76 HydrophobicContact CG-CE1 3.72Å; R26-Y76 HydrophobicContact CG-CE2 4.06Å; R26-R377 VanDerWaalsContact CD-NH1 3.27Å; R26-R377 VanDerWaalsContact CZ-CD 3.48Å; R26-R377 VanDerWaalsContact CZ-NH1 3.31Å; R26-R377 VanDerWaalsContact NH1-CD 3.34Å; R26-R377 VanDerWaalsContact NH2-CZ 3.3Å; R26-D380 IonicContact CZ-OD1 3.4Å; R26-D380 IonicContact CZ-OD2 2.77Å; R26-D380 IonicContact NH1-OD1 2.79Å; R26-D380 PolarHBondContact NH1-OD1 3Å; R26-D380 IonicContact NH1-OD2 3.5Å; R26-D380 IonicContact NH2-OD1 3.78Å; R26-D380 PolarHBondContact NH2-OD1 2.88Å; R26-D380 IonicContact NH2-OD2 2.83Å; R26-D380 PolarHBondContact NH2-OD2 2.89Å
27Q90.9Very high84Confident156 Ų15675.1 Ų75.173%0.72937%0.369SS*.  trans-117.8153.2169.7-64.4-178.8-5.400110.6L25 R377L25-Q27 PolarHBondContact O-N 3.03Å; Q27-R377 PolarHBondContact O-NH2 2.77Å
28R94.9Very high84.6Confident133 Ų13375 Ų7550%0.50237%0.367SS..PPolyproline II helixtrans-70.7125.9176.3-175.6-176.2175-153-1.3109.6E32 P33 L35R28-E32 WeakPolarHBondContact CA-OE2 3.48Å; R28-E32 HydrophobicContact CG-CB 3.95Å; R28-E32 VanDerWaalsContact CZ-O 3.24Å; R28-E32 PolarHBondContact NE-O 2.89Å; R28-E32 PolarHBondContact NH2-O 3.16Å; R28-P33 WeakPolarHBondContact CD-O 3.43Å; R28-P33 PolarHBondContact NE-O 2.97Å; R28-P33 VanDerWaalsContact NE-O 3.07Å; R28-L35 HydrophobicContact CB-CB 4.11Å; R28-L35 HydrophobicContact CB-CD2 4.48Å
29R94.9Very high85Confident107 Ų10773.2 Ų73.240%0.40438%0.375SS..PPolyproline II helixtrans-83160.9171.1-69.9167.6-173.8175.31.1110.7R31 E32 D363 R377R29-R31 PolarHBondContact O-N 3.36Å; R29-E32 HydrophobicContact CB-CG 3.89Å; R29-E32 WeakPolarHBondContact CD-OE1 3.43Å; R29-E32 PolarHBondContact N-OE2 3.36Å; R29-E32 WeakPolarHBondContact O-CB 3.11Å; R29-E32 PolarHBondContact O-N 3.11Å; R29-E32 VanDerWaalsContact O-N 3.1Å; R29-D363 IonicContact NH1-OD2 3Å; R29-D363 PolarHBondContact NH1-OD2 2.99Å; R29-R377 VanDerWaalsContact CG-NH2 3.32Å; R29-R377 VanDerWaalsContact CZ-NE 3.33Å
30P94.4Very high85.8Confident111 Ų11173.6 Ų73.672%0.72138%0.379SS*.THydrogen-bonded Turntrans-51.5137.9170.9-26.435.1000111.7E32P30-E32 PolarHBondContact O-N 3.2Å; P30-E32 VanDerWaalsContact O-N 3.17Å
31R94.3Very high86.5Confident154 Ų15474.9 Ų74.958%0.58139%0.387SS*.THydrogen-bonded Turntrans65.4-0.3-177-55.7-178.7-72.8177.7-4.5116.2R29 Y374 L375R29-R31 PolarHBondContact O-N 3.36Å; R31-Y374 CarbonylContact O-C 3.59Å; R31-Y374 VanDerWaalsContact O-CA 3.29Å; R31-Y374 WeakPolarHBondContact O-CA 3.5Å; R31-L375 HydrophobicContact CB-CB 4.25Å; R31-L375 PolarHBondContact O-N 3.37Å
32E97Very high87.2Confident6 Ų674.4 Ų74.43%0.02838%0.378CS..PPolyproline II helixtrans-68.8154.1167.8-70.6-175.2167.400110.6R26 R28 R29 P30 L375 R377R26-E32 IonicContact NH2-OE1 3.59Å; R26-E32 IonicContact NH2-OE2 2.7Å; R28-E32 WeakPolarHBondContact CA-OE2 3.48Å; R28-E32 HydrophobicContact CG-CB 3.95Å; R28-E32 VanDerWaalsContact CZ-O 3.24Å; R28-E32 PolarHBondContact NE-O 2.89Å; R28-E32 PolarHBondContact NH2-O 3.16Å; R29-E32 HydrophobicContact CB-CG 3.89Å; R29-E32 WeakPolarHBondContact CD-OE1 3.43Å; R29-E32 PolarHBondContact N-OE2 3.36Å; R29-E32 WeakPolarHBondContact O-CB 3.11Å; R29-E32 PolarHBondContact O-N 3.11Å; R29-E32 VanDerWaalsContact O-N 3.1Å; P30-E32 PolarHBondContact O-N 3.2Å; P30-E32 VanDerWaalsContact O-N 3.17Å; E32-L375 WeakPolarHBondContact CA-O 3.12Å; E32-L375 HydrophobicContact CG-CB 4.35Å; E32-L375 HydrophobicContact CG-CD2 4.39Å; E32-L375 HydrophobicContact CG-CG 4.5Å; E32-L375 WeakPolarHBondContact CG-O 3.28Å; E32-R377 IonicContact OE1-CZ 3.68Å; E32-R377 IonicContact OE1-NE 2.78Å; E32-R377 PolarHBondContact OE1-NE 3.08Å; E32-R377 IonicContact OE1-NH2 3.98Å; E32-R377 PolarHBondContact OE1-NH2 3.18Å; E32-R377 IonicContact OE2-CZ 3.14Å; E32-R377 IonicContact OE2-NH2 3.88Å; E32-R377 PolarHBondContact OE2-NH2 2.89Å
33P97.3Very high88.2Confident2 Ų272.8 Ų72.81%0.01337%0.365CS..PPolyproline II helixtrans-54.1159.7168.5-28.238.2000113R28 L35 V67 T78 Y374 L375 F376R28-P33 WeakPolarHBondContact CD-O 3.43Å; R28-P33 PolarHBondContact NE-O 2.97Å; R28-P33 VanDerWaalsContact NE-O 3.07Å; P33-L35 PolarHBondContact O-N 3.4Å; P33-V67 HydrophobicContact CB-CG1 3.92Å; P33-V67 HydrophobicContact CG-CG1 3.7Å; P33-T78 HydrophobicContact CB-CG2 4.27Å; P33-T78 HydrophobicContact CG-CG2 3.8Å; P33-Y374 HydrophobicContact CB-CD1 4.18Å; P33-Y374 HydrophobicContact CB-CE1 4.42Å; P33-Y374 HydrophobicContact CG-CD1 3.76Å; P33-Y374 HydrophobicContact CG-CE1 4.45Å; P33-Y374 HydrophobicContact CG-CG 4.07Å; P33-L375 WeakPolarHBondContact CD-O 3.41Å; P33-F376 HydrophobicContact CG-CD1 4.44Å; P33-F376 HydrophobicContact CG-CE1 4.14Å
34P97.4Very high89.6Confident29 Ų2973 Ų7319%0.18837%0.367CS..PPolyproline II helixtrans-49.5126.8167.8-24.934.3000110.8H64 V67 T69P34-H64 HydrophobicContact CB-CB 4.27Å; P34-H64 HydrophobicContact CG-CB 4.44Å; P34-V67 WeakPolarHBondContact CD-O 3.34Å; P34-T69 PolarHBondContact O-N 3.05Å
35L96.8Very high90.8Very high38 Ų3869.4 Ų69.420%0.19935%0.347CS..EExtended strand (participates in β ladder)trans-103.9118.6179.6174.964.9000109.5R26 R28 P33 K37 T69 Y76R26-L35 HydrophobicContact CG-CD2 3.81Å; R28-L35 HydrophobicContact CB-CB 4.11Å; R28-L35 HydrophobicContact CB-CD2 4.48Å; P33-L35 PolarHBondContact O-N 3.4Å; L35-K37 HydrophobicContact CD1-CG 4.06Å; L35-K37 HydrophobicContact CD2-CD 4.2Å; L35-K37 HydrophobicContact CD2-CG 4.18Å; L35-K37 HydrophobicContact CG-CD 4.49Å; L35-K37 HydrophobicContact CG-CG 3.92Å; L35-T69 WeakPolarHBondContact CA-O 3.3Å; L35-T69 HydrophobicContact CD1-CG2 3.72Å; L35-Y76 HydrophobicContact CD1-CD1 3.96Å; L35-Y76 HydrophobicContact CD1-CE1 4.2Å
36D95.9Very high91.5Very high19 Ų1963.6 Ų63.610%0.10232%0.318CS..EExtended strand (participates in β ladder)trans-121.9101.3176.9-164.1-24.5000110G38 Y45 K63 H64 T69 V70 Q71D36-G38 VanDerWaalsContact C-N 3.34Å; D36-G38 PolarHBondContact OD1-N 3.49Å; D36-Y45 HydrophobicContact CB-CE2 4.23Å; D36-Y45 VanDerWaalsContact CG-OH 3.23Å; D36-Y45 WeakPolarHBondContact O-CE2 3.45Å; D36-Y45 WeakPolarHBondContact OD1-CE2 3.21Å; D36-Y45 PolarHBondContact OD1-OH 3.47Å; D36-Y45 PolarHBondContact OD2-OH 2.91Å; D36-K63 IonicContact OD2-NZ 2.63Å; D36-K63 PolarHBondContact OD2-NZ 3.24Å; D36-H64 WeakPolarHBondContact CB-NE2 3.42Å; D36-H64 IonicContact OD2-CE1 3.07Å; D36-H64 PolarHBondContact OD2-CE1 3.4Å; D36-H64 IonicContact OD2-NE2 3.5Å; D36-H64 PolarHBondContact OD2-NE2 3.39Å; D36-T69 PolarHBondContact N-O 3.1Å; D36-V70 HydrophobicContact CB-CG1 4.44Å; D36-V70 VanDerWaalsContact O-CA 3.31Å; D36-V70 WeakPolarHBondContact O-CA 3.23Å; D36-Q71 PolarHBondContact O-N 2.97Å
37K92.8Very high91.5Very high56 Ų5666.9 Ų66.924%0.24334%0.336CS..  trans-84-8.9-174-58.7-170.4-65.5-178.30113.6G23 M24 R26 L35 G44 Q71 Y76G23-K37 PolarHBondContact O-NZ 3.18Å; M24-K37 PolarHBondContact O-NZ 3.12Å; R26-K37 HydrophobicContact CB-CD 4.39Å; R26-K37 PolarHBondContact O-NZ 3.3Å; L35-K37 HydrophobicContact CD1-CG 4.06Å; L35-K37 HydrophobicContact CD2-CD 4.2Å; L35-K37 HydrophobicContact CD2-CG 4.18Å; L35-K37 HydrophobicContact CG-CD 4.49Å; L35-K37 HydrophobicContact CG-CG 3.92Å; K37-G44 WeakPolarHBondContact O-CA 3.44Å; K37-Q71 HydrophobicContact CB-CB 4.33Å; K37-Y76 HydrophobicContact CD-CE1 4.34Å; K37-Y76 HydrophobicContact CG-CE1 4.37Å
38G90.9Very high91.4Very high25 Ų2561.7 Ų61.726%0.25832%0.319SS..  trans69.2-176.9-169.200000113D36 Y45D36-G38 VanDerWaalsContact C-N 3.34Å; D36-G38 PolarHBondContact OD1-N 3.49Å; G38-Y45 VanDerWaalsContact CA-CE2 3.44Å; G38-Y45 VanDerWaalsContact N-CE2 3.25Å
39T86.7Confident91.1Very high139 Ų13955.9 Ų55.985%0.85330%0.298SS*.SBendtrans-92.5-23.2-173.250.70000113.8P41T39-P41 WeakPolarHBondContact O-CD 3.14Å
40V86.7Confident90.5Very high70 Ų7053.2 Ų53.242%0.42429%0.288SS..SBendtrans-93.2113.8-178.1-173.20000109.3L43 G44V40-L43 HydrophobicContact CB-CB 4.22Å; V40-L43 HydrophobicContact CG1-CB 3.76Å; V40-L43 HydrophobicContact CG1-CD2 4.03Å; V40-G44 WeakPolarHBondContact O-CA 3.31Å; V40-G44 PolarHBondContact O-N 3.26Å
41P84.3Confident90.1Very high62 Ų6255.6 Ų55.640%0.40329%0.287SS..THydrogen-bonded Turntrans-55.5143.5179.6-25.535000112.1C20 M24 T39 L43C20-P41 HydrophobicContact CB-CB 4.12Å; M24-P41 HydrophobicContact CG-CB 4.21Å; T39-P41 WeakPolarHBondContact O-CD 3.14Å; P41-L43 PolarHBondContact O-N 3.48Å
42W84.2Confident89.7Confident92 Ų9249.5 Ų49.535%0.34827%0.266SS..THydrogen-bonded Turntrans64.1-52.3-175.9-176.789.3000114.6L19 G44 Q71 G74L19-W42 HydrophobicContact CB-CD2 4.49Å; L19-W42 HydrophobicContact CB-CG 4.18Å; L19-W42 HydrophobicContact CD2-CZ2 4.44Å; W42-G44 VanDerWaalsContact C-N 3.35Å; W42-G44 PolarHBondContact O-N 3.1Å; W42-Q71 PolarHBondContact O-NE2 3.35Å; W42-G74 WeakPolarHBondContact O-CA 3.38Å; W42-G74 PolarHBondContact O-N 2.83Å
43L84.5Confident89.4Confident47 Ų4749.8 Ų49.825%0.24627%0.267CS..THydrogen-bonded Turntrans-65.7-38.3-178.5-169.665.1000112.2V40 P41 Y45 A46 M47 G73V40-L43 HydrophobicContact CB-CB 4.22Å; V40-L43 HydrophobicContact CG1-CB 3.76Å; V40-L43 HydrophobicContact CG1-CD2 4.03Å; P41-L43 PolarHBondContact O-N 3.48Å; L43-Y45 PolarHBondContact O-N 3.15Å; L43-A46 HydrophobicContact CD1-CB 3.64Å; L43-A46 HydrophobicContact CG-CB 3.99Å; L43-A46 WeakPolarHBondContact O-CB 3.44Å; L43-A46 PolarHBondContact O-N 2.93Å; L43-M47 HydrophobicContact CD2-CG 4.02Å; L43-G73 PolarHBondContact O-N 2.99Å
44G90.4Very high89.1Confident9 Ų951.3 Ų51.39%0.09327%0.273CS..BIsolated β-bridgetrans55-122.8-175.900000112.3K37 V40 W42 Q71K37-G44 WeakPolarHBondContact O-CA 3.44Å; V40-G44 WeakPolarHBondContact O-CA 3.31Å; V40-G44 PolarHBondContact O-N 3.26Å; W42-G44 VanDerWaalsContact C-N 3.35Å; W42-G44 PolarHBondContact O-N 3.1Å; G44-Q71 WeakPolarHBondContact CA-O 3.43Å
45Y92.1Very high88.9Confident46 Ų4652.4 Ų52.418%0.1828%0.276CS..THydrogen-bonded Turntrans-93.911.6-179.1-68.7-71.8000114.6D36 G38 L43 M47 A48 F49 F56 M60 V70 Q71D36-Y45 HydrophobicContact CB-CE2 4.23Å; D36-Y45 VanDerWaalsContact CG-OH 3.23Å; D36-Y45 WeakPolarHBondContact O-CE2 3.45Å; D36-Y45 WeakPolarHBondContact OD1-CE2 3.21Å; D36-Y45 PolarHBondContact OD1-OH 3.47Å; D36-Y45 PolarHBondContact OD2-OH 2.91Å; G38-Y45 VanDerWaalsContact CA-CE2 3.44Å; G38-Y45 VanDerWaalsContact N-CE2 3.25Å; L43-Y45 PolarHBondContact O-N 3.15Å; Y45-M47 PolarHBondContact O-N 3.32Å; Y45-M47 VanDerWaalsContact O-N 3.07Å; Y45-A48 PolarHBondContact O-N 3.33Å; Y45-F49 WeakPolarHBondContact O-CB 3.29Å; Y45-F49 PolarHBondContact O-N 3.44Å; Y45-F56 VanDerWaalsContact CB-CE2 3.46Å; Y45-F56 AromaticContact CD1-CE2 3.71Å; Y45-F56 HydrophobicContact CD1-CE2 3.71Å; Y45-F56 HydrophobicContact CD1-CZ 4.48Å; Y45-F56 HydrophobicContact CD2-CE2 4.07Å; Y45-F56 HydrophobicContact CD2-CZ 4.06Å; Y45-F56 HydrophobicContact CE1-CE2 4.44Å; Y45-F56 AromaticContact CG-CE2 3.49Å; Y45-F56 HydrophobicContact CG-CE2 3.49Å; Y45-F56 VanDerWaalsContact CG-CE2 3.49Å; Y45-F56 AromaticContact CG-CZ 3.82Å; Y45-F56 HydrophobicContact CG-CZ 3.82Å; Y45-M60 HydrophobicContact CD1-CE 4.43Å; Y45-M60 HydrophobicContact CE1-CE 3.9Å; Y45-M60 HydrophobicContact CE2-CE 4.01Å; Y45-V70 HydrophobicContact CD2-CB 4.27Å; Y45-V70 HydrophobicContact CD2-CG1 4.22Å; Y45-V70 HydrophobicContact CE2-CG1 4.47Å; Y45-Q71 PolarHBondContact N-O 3.47Å
46A87.7Confident88.8Confident6 Ų651.3 Ų51.35%0.0527%0.27CS..Hα-helixtrans-51.6-39.3-173.100000114L43 R50L43-A46 HydrophobicContact CD1-CB 3.64Å; L43-A46 HydrophobicContact CG-CB 3.99Å; L43-A46 WeakPolarHBondContact O-CB 3.44Å; L43-A46 PolarHBondContact O-N 2.93Å; A46-R50 VanDerWaalsContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CB 3.35Å; A46-R50 PolarHBondContact O-N 2.78Å
47M87.1Confident88.8Confident98 Ų9850.4 Ų50.448%0.48327%0.265SS..Hα-helixtrans-72.9-38.7178.8-64.8-56.6-66.700113.3L43 Y45 R50 K51L43-M47 HydrophobicContact CD2-CG 4.02Å; Y45-M47 PolarHBondContact O-N 3.32Å; Y45-M47 VanDerWaalsContact O-N 3.07Å; M47-R50 PolarHBondContact O-N 3.45Å; M47-K51 WeakPolarHBondContact O-CB 3.37Å; M47-K51 PolarHBondContact O-N 3.16Å
48A89.8Confident88.9Confident47 Ų4752.6 Ų52.639%0.38828%0.275SS..Hα-helixtrans-67.3-42.6175.700000110.8Y45 K51 N52 F56Y45-A48 PolarHBondContact O-N 3.33Å; A48-K51 PolarHBondContact O-N 3.46Å; A48-N52 PolarHBondContact O-N 3.28Å; A48-N52 VanDerWaalsContact O-N 3.16Å; A48-F56 HydrophobicContact CB-CD2 4.05Å
49F87.3Confident89.2Confident11 Ų1159.7 Ų59.75%0.04829%0.294CS..Hα-helixtrans-60.8-45.3174.7-171.8-87.5000111.7Y45 N52 M53 F56 L57 L72 F79 Y218Y45-F49 WeakPolarHBondContact O-CB 3.29Å; Y45-F49 PolarHBondContact O-N 3.44Å; F49-N52 CarbonylContact O-C 3.57Å; F49-M53 HydrophobicContact CD2-CG 4.13Å; F49-M53 HydrophobicContact CE1-CB 4.48Å; F49-M53 HydrophobicContact CE1-CG 4.06Å; F49-M53 HydrophobicContact CE1-SD 3.8Å; F49-M53 HydrophobicContact CE2-CB 4.46Å; F49-M53 HydrophobicContact CE2-CG 3.55Å; F49-M53 HydrophobicContact CE2-SD 3.9Å; F49-M53 HydrophobicContact CZ-CB 4.38Å; F49-M53 HydrophobicContact CZ-CG 3.52Å; F49-M53 HydrophobicContact CZ-SD 3.26Å; F49-M53 WeakPolarHBondContact CZ-SD 3.23Å; F49-M53 WeakPolarHBondContact O-CA 3.45Å; F49-M53 PolarHBondContact O-N 3.05Å; F49-M53 VanDerWaalsContact O-N 3.09Å; F49-F56 HydrophobicContact CB-CD1 4.37Å; F49-F56 AromaticContact CD2-CD1 3.58Å; F49-F56 HydrophobicContact CD2-CD1 3.58Å; F49-F56 AromaticContact CD2-CE1 3.72Å; F49-F56 HydrophobicContact CD2-CE1 3.72Å; F49-F56 HydrophobicContact CE2-CD1 4.38Å; F49-F56 HydrophobicContact CG-CD1 4.44Å; F49-L57 HydrophobicContact CE2-CD2 4.4Å; F49-L72 HydrophobicContact CB-CD2 3.79Å; F49-L72 HydrophobicContact CD1-CD1 4.35Å; F49-L72 HydrophobicContact CD2-CD1 3.69Å; F49-L72 HydrophobicContact CD2-CD2 4.16Å; F49-L72 HydrophobicContact CE1-CD1 4.49Å; F49-L72 HydrophobicContact CE2-CD1 3.84Å; F49-L72 HydrophobicContact CG-CD1 3.96Å; F49-L72 HydrophobicContact CG-CD2 4.06Å; F49-L72 HydrophobicContact CZ-CD1 4.24Å; F49-F79 AromaticContact CE2-CZ 3.82Å; F49-F79 HydrophobicContact CE2-CZ 3.82Å; F49-F79 HydrophobicContact CZ-CZ 4.4Å; F49-Y218 AromaticContact CE1-CE1 3.93Å; F49-Y218 HydrophobicContact CE1-CE1 3.93Å; F49-Y218 HydrophobicContact CE1-CE2 4.33Å; F49-Y218 AromaticContact CE1-CZ 3.83Å
50R83.2Confident89.8Confident51 Ų5153.8 Ų53.819%0.19226%0.257CS..Hα-helixtrans-59.7-46.5174.4-178.3-171.1175.81633.6112A46 M47 L220A46-R50 VanDerWaalsContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CB 3.35Å; A46-R50 PolarHBondContact O-N 2.78Å; M47-R50 PolarHBondContact O-N 3.45Å; R50-L220 HydrophobicContact CB-CD1 3.76Å; R50-L220 HydrophobicContact CG-CD1 3.86Å; R50-L220 PolarHBondContact NH1-O 3.38Å; R50-L220 PolarHBondContact NH2-O 3.06Å
51K85.7Confident90.2Very high160 Ų16052.8 Ų52.870%0.69625%0.245SC*.Hα-helixtrans-63.7-46.9-174.3-177.3176.4178.91790111.4M47 A48 T495M47-K51 WeakPolarHBondContact O-CB 3.37Å; M47-K51 PolarHBondContact O-N 3.16Å; A48-K51 PolarHBondContact O-N 3.46Å; K51-T495 WeakPolarHBondContact O-CG2 3.32Å
52N87Confident90.8Very high27 Ų2755.1 Ų55.114%0.14426%0.263CS..  trans-158.893.5177.1-170.5-37.3000109.6A48 F49 F54 E55 F56A48-N52 PolarHBondContact O-N 3.28Å; A48-N52 VanDerWaalsContact O-N 3.16Å; F49-N52 CarbonylContact O-C 3.57Å; N52-F54 VanDerWaalsContact C-N 3.29Å; N52-F54 PolarHBondContact O-N 2.57Å; N52-F54 PolarHBondContact OD1-N 2.97Å; N52-E55 HydrophobicContact CB-CB 4.25Å; N52-E55 PolarHBondContact OD1-N 2.84Å; N52-F56 VanDerWaalsContact O-CB 3.23Å; N52-F56 WeakPolarHBondContact O-CB 3.27Å; N52-F56 PolarHBondContact O-N 2.79Å
53M89.3Confident91.5Very high12 Ų1256.8 Ų56.86%0.05927%0.273CS..Hα-helixtrans-58.9-40.8-178.9178.5177.669.400112F49 F56 L57 F385 L496F49-M53 HydrophobicContact CD2-CG 4.13Å; F49-M53 HydrophobicContact CE1-CB 4.48Å; F49-M53 HydrophobicContact CE1-CG 4.06Å; F49-M53 HydrophobicContact CE1-SD 3.8Å; F49-M53 HydrophobicContact CE2-CB 4.46Å; F49-M53 HydrophobicContact CE2-CG 3.55Å; F49-M53 HydrophobicContact CE2-SD 3.9Å; F49-M53 HydrophobicContact CZ-CB 4.38Å; F49-M53 HydrophobicContact CZ-CG 3.52Å; F49-M53 HydrophobicContact CZ-SD 3.26Å; F49-M53 WeakPolarHBondContact CZ-SD 3.23Å; F49-M53 WeakPolarHBondContact O-CA 3.45Å; F49-M53 PolarHBondContact O-N 3.05Å; F49-M53 VanDerWaalsContact O-N 3.09Å; M53-F56 PolarHBondContact O-N 3.4Å; M53-L57 HydrophobicContact CG-CD1 3.79Å; M53-L57 HydrophobicContact CG-CG 4.24Å; M53-L57 WeakPolarHBondContact O-CB 3.44Å; M53-L57 VanDerWaalsContact O-CG 3.27Å; M53-L57 WeakPolarHBondContact O-CG 3.25Å; M53-L57 PolarHBondContact O-N 3.46Å; M53-L57 HydrophobicContact SD-CD1 4.44Å; M53-F385 HydrophobicContact CE-CD2 4.04Å; M53-F385 HydrophobicContact CE-CE1 4.42Å; M53-F385 HydrophobicContact CE-CE2 3.33Å; M53-F385 HydrophobicContact CE-CZ 3.56Å; M53-L496 HydrophobicContact CE-CD1 3.71Å
54F91.1Very high92.1Very high33 Ų3356.7 Ų56.715%0.14527%0.27CS..Hα-helixtrans-63.1-54.3-178.1173.4-98000112N52 F56 L57 K58 F385 Y387 L388 V392 P493N52-F54 VanDerWaalsContact C-N 3.29Å; N52-F54 PolarHBondContact O-N 2.57Å; N52-F54 PolarHBondContact OD1-N 2.97Å; F54-F56 VanDerWaalsContact C-N 3.29Å; F54-F56 PolarHBondContact O-N 2.9Å; F54-L57 PolarHBondContact O-N 3.44Å; F54-K58 HydrophobicContact CE1-CD 4.23Å; F54-K58 HydrophobicContact CZ-CD 4.48Å; F54-K58 WeakPolarHBondContact O-CB 3.34Å; F54-K58 PolarHBondContact O-N 3.45Å; F54-F385 HydrophobicContact CD2-CE1 4.28Å; F54-Y387 AromaticContact CD2-CD1 3.7Å; F54-Y387 HydrophobicContact CD2-CD1 3.7Å; F54-Y387 AromaticContact CD2-CE1 3.72Å; F54-Y387 HydrophobicContact CD2-CE1 3.72Å; F54-Y387 AromaticContact CE2-CD1 3.86Å; F54-Y387 HydrophobicContact CE2-CD1 3.86Å; F54-Y387 AromaticContact CE2-CE1 3.69Å; F54-Y387 HydrophobicContact CE2-CE1 3.69Å; F54-L388 HydrophobicContact CD2-CB 4.45Å; F54-L388 HydrophobicContact CD2-CD1 4.47Å; F54-L388 HydrophobicContact CE2-CB 4.31Å; F54-L388 HydrophobicContact CE2-CD1 3.74Å; F54-L388 HydrophobicContact CE2-CG 4.47Å; F54-L388 HydrophobicContact CZ-CD1 4.19Å; F54-V392 HydrophobicContact CE2-CG2 3.97Å; F54-V392 HydrophobicContact CZ-CG2 4.41Å; F54-P493 HydrophobicContact CB-CG 3.5Å; F54-P493 VanDerWaalsContact CB-CG 3.5Å; F54-P493 HydrophobicContact CD1-CG 3.69Å; F54-P493 HydrophobicContact CG-CG 3.74Å
55E93.7Very high92.3Very high53 Ų5357.9 Ų57.925%0.24828%0.283CS..Hα-helixtrans-64.7-36.7179.4-78.1-59.5133.100111.6N52 R59N52-E55 HydrophobicContact CB-CB 4.25Å; N52-E55 PolarHBondContact OD1-N 2.84Å; E55-R59 WeakPolarHBondContact O-CB 3.19Å; E55-R59 VanDerWaalsContact O-CG 3.24Å; E55-R59 WeakPolarHBondContact O-CG 3.3Å; E55-R59 PolarHBondContact O-N 3Å
56F94.6Very high92.5Very high14 Ų1458.4 Ų58.46%0.06129%0.289CS..Hα-helixtrans-59.4-52.5173.3170.3-97.9000111.7Y45 A48 F49 N52 M53 F54 K58 R59 M60 V70Y45-F56 VanDerWaalsContact CB-CE2 3.46Å; Y45-F56 AromaticContact CD1-CE2 3.71Å; Y45-F56 HydrophobicContact CD1-CE2 3.71Å; Y45-F56 HydrophobicContact CD1-CZ 4.48Å; Y45-F56 HydrophobicContact CD2-CE2 4.07Å; Y45-F56 HydrophobicContact CD2-CZ 4.06Å; Y45-F56 HydrophobicContact CE1-CE2 4.44Å; Y45-F56 AromaticContact CG-CE2 3.49Å; Y45-F56 HydrophobicContact CG-CE2 3.49Å; Y45-F56 VanDerWaalsContact CG-CE2 3.49Å; Y45-F56 AromaticContact CG-CZ 3.82Å; Y45-F56 HydrophobicContact CG-CZ 3.82Å; A48-F56 HydrophobicContact CB-CD2 4.05Å; F49-F56 HydrophobicContact CB-CD1 4.37Å; F49-F56 AromaticContact CD2-CD1 3.58Å; F49-F56 HydrophobicContact CD2-CD1 3.58Å; F49-F56 AromaticContact CD2-CE1 3.72Å; F49-F56 HydrophobicContact CD2-CE1 3.72Å; F49-F56 HydrophobicContact CE2-CD1 4.38Å; F49-F56 HydrophobicContact CG-CD1 4.44Å; N52-F56 VanDerWaalsContact O-CB 3.23Å; N52-F56 WeakPolarHBondContact O-CB 3.27Å; N52-F56 PolarHBondContact O-N 2.79Å; M53-F56 PolarHBondContact O-N 3.4Å; F54-F56 VanDerWaalsContact C-N 3.29Å; F54-F56 PolarHBondContact O-N 2.9Å; F56-K58 VanDerWaalsContact C-N 3.35Å; F56-K58 PolarHBondContact O-N 2.95Å; F56-R59 PolarHBondContact O-N 3.14Å; F56-M60 HydrophobicContact CD2-CE 4.41Å; F56-M60 HydrophobicContact CD2-CG 4.33Å; F56-M60 HydrophobicContact CE1-CG 4.03Å; F56-M60 HydrophobicContact CE2-CE 3.71Å; F56-M60 HydrophobicContact CE2-CG 3.83Å; F56-M60 HydrophobicContact CE2-SD 4.44Å; F56-M60 HydrophobicContact CZ-CE 4.27Å; F56-M60 HydrophobicContact CZ-CG 3.68Å; F56-M60 HydrophobicContact CZ-SD 4.46Å; F56-M60 WeakPolarHBondContact O-CG 3.46Å; F56-M60 PolarHBondContact O-N 2.92Å; F56-V70 HydrophobicContact CE1-CG2 4.39Å; F56-V70 HydrophobicContact CZ-CB 4.42Å; F56-V70 HydrophobicContact CZ-CG1 4.09Å; F56-V70 HydrophobicContact CZ-CG2 4.37Å
57L95.9Very high93Very high0 Ų058.3 Ų58.30%029%0.288CS..Hα-helixtrans-66.8-36.6-178.8-69.6177.6000111.9F49 M53 F54 M60 R61 F68 F79 F385 L388F49-L57 HydrophobicContact CE2-CD2 4.4Å; M53-L57 HydrophobicContact CG-CD1 3.79Å; M53-L57 HydrophobicContact CG-CG 4.24Å; M53-L57 WeakPolarHBondContact O-CB 3.44Å; M53-L57 VanDerWaalsContact O-CG 3.27Å; M53-L57 WeakPolarHBondContact O-CG 3.25Å; M53-L57 PolarHBondContact O-N 3.46Å; M53-L57 HydrophobicContact SD-CD1 4.44Å; F54-L57 PolarHBondContact O-N 3.44Å; L57-M60 PolarHBondContact O-N 3.43Å; L57-R61 VanDerWaalsContact O-CB 3.29Å; L57-R61 WeakPolarHBondContact O-CB 3.22Å; L57-R61 PolarHBondContact O-N 3.36Å; L57-F68 HydrophobicContact CD2-CE2 4.25Å; L57-F68 HydrophobicContact CD2-CZ 4.07Å; L57-F79 HydrophobicContact CD1-CD1 4.26Å; L57-F79 HydrophobicContact CD1-CE1 3.87Å; L57-F79 HydrophobicContact CD1-CZ 4.46Å; L57-F79 HydrophobicContact CD2-CD1 3.76Å; L57-F79 HydrophobicContact CD2-CD2 3.94Å; L57-F79 HydrophobicContact CD2-CE1 3.64Å; L57-F79 HydrophobicContact CD2-CE2 3.82Å; L57-F79 HydrophobicContact CD2-CG 3.91Å; L57-F79 HydrophobicContact CD2-CZ 3.69Å; L57-F79 HydrophobicContact CG-CE1 4.43Å; L57-F385 HydrophobicContact CD1-CB 3.98Å; L57-F385 HydrophobicContact CD1-CD1 3.45Å; L57-F385 VanDerWaalsContact CD1-CD1 3.45Å; L57-F385 HydrophobicContact CD1-CE1 4.06Å; L57-F385 HydrophobicContact CD1-CG 3.78Å; L57-L388 HydrophobicContact CB-CD2 3.98Å
58K95.8Very high93.5Very high103 Ų10353.7 Ų53.745%0.44827%0.265SS..Hα-helixtrans-59.5-46173.5-174179.4176.5-175.60111.6F54 F56 R61 S62 L388F54-K58 HydrophobicContact CE1-CD 4.23Å; F54-K58 HydrophobicContact CZ-CD 4.48Å; F54-K58 WeakPolarHBondContact O-CB 3.34Å; F54-K58 PolarHBondContact O-N 3.45Å; F56-K58 VanDerWaalsContact C-N 3.35Å; F56-K58 PolarHBondContact O-N 2.95Å; K58-R61 PolarHBondContact O-N 3.4Å; K58-S62 WeakPolarHBondContact O-CB 3.44Å; K58-S62 PolarHBondContact O-N 2.97Å; K58-L388 HydrophobicContact CB-CD2 3.97Å
59R97.1Very high93.9Very high174 Ų17451.6 Ų51.666%0.65725%0.248SC*.Hα-helixtrans-64.4-43175.5-70.7173.9-166.7-142.42.9112.2E55 F56 S62 K63E55-R59 WeakPolarHBondContact O-CB 3.19Å; E55-R59 VanDerWaalsContact O-CG 3.24Å; E55-R59 WeakPolarHBondContact O-CG 3.3Å; E55-R59 PolarHBondContact O-N 3Å; F56-R59 PolarHBondContact O-N 3.14Å; R59-S62 PolarHBondContact O-N 3.28Å; R59-K63 WeakPolarHBondContact O-CB 3.47Å; R59-K63 PolarHBondContact O-N 3.37Å
60M97.4Very high94.3Very high15 Ų1551.1 Ų51.17%0.07425%0.245CC..Hα-helixtrans-66.1-40.8178.7-71.9-64148.900112.1Y45 F56 L57 K63 H64 F68 V70Y45-M60 HydrophobicContact CD1-CE 4.43Å; Y45-M60 HydrophobicContact CE1-CE 3.9Å; Y45-M60 HydrophobicContact CE2-CE 4.01Å; F56-M60 HydrophobicContact CD2-CE 4.41Å; F56-M60 HydrophobicContact CD2-CG 4.33Å; F56-M60 HydrophobicContact CE1-CG 4.03Å; F56-M60 HydrophobicContact CE2-CE 3.71Å; F56-M60 HydrophobicContact CE2-CG 3.83Å; F56-M60 HydrophobicContact CE2-SD 4.44Å; F56-M60 HydrophobicContact CZ-CE 4.27Å; F56-M60 HydrophobicContact CZ-CG 3.68Å; F56-M60 HydrophobicContact CZ-SD 4.46Å; F56-M60 WeakPolarHBondContact O-CG 3.46Å; F56-M60 PolarHBondContact O-N 2.92Å; L57-M60 PolarHBondContact O-N 3.43Å; M60-K63 PolarHBondContact O-N 3.43Å; M60-K63 VanDerWaalsContact O-N 3.17Å; M60-H64 PolarHBondContact O-N 3.01Å; M60-F68 HydrophobicContact CB-CD2 4.04Å; M60-F68 HydrophobicContact CB-CE1 4.08Å; M60-F68 HydrophobicContact CB-CE2 3.46Å; M60-F68 VanDerWaalsContact CB-CE2 3.46Å; M60-F68 HydrophobicContact CB-CZ 3.48Å; M60-F68 VanDerWaalsContact CB-CZ 3.48Å; M60-F68 HydrophobicContact CG-CE2 4.22Å; M60-V70 HydrophobicContact CG-CG1 4.42Å; M60-V70 HydrophobicContact SD-CG1 4.25Å
61R96.5Very high94.8Very high49 Ų4948.8 Ų48.819%0.18524%0.237CC..Hα-helixtrans-60.2-44.9172.7-170.3-177.3-176.2-176.62.2111.5L57 K58 K63 G65 D66 F68 M81 L388L57-R61 VanDerWaalsContact O-CB 3.29Å; L57-R61 WeakPolarHBondContact O-CB 3.22Å; L57-R61 PolarHBondContact O-N 3.36Å; K58-R61 PolarHBondContact O-N 3.4Å; R61-K63 VanDerWaalsContact C-N 3.27Å; R61-K63 PolarHBondContact O-N 3.07Å; R61-G65 WeakPolarHBondContact CA-O 3.41Å; R61-G65 CarbonylContact O-C 3.57Å; R61-G65 VanDerWaalsContact O-CA 3.22Å; R61-G65 WeakPolarHBondContact O-CA 3.27Å; R61-G65 PolarHBondContact O-N 3.08Å; R61-D66 IonicContact CZ-OD1 3.79Å; R61-D66 IonicContact NE-OD1 3.32Å; R61-D66 PolarHBondContact NE-OD1 3.26Å; R61-D66 IonicContact NH2-OD1 3.28Å; R61-D66 PolarHBondContact NH2-OD1 3.5Å; R61-D66 IonicContact NH2-OD2 2.83Å; R61-F68 HydrophobicContact CB-CE1 4.26Å; R61-M81 HydrophobicContact CB-SD 3.86Å; R61-M81 HydrophobicContact CG-SD 4.03Å; R61-M81 PolarHBondContact NH2-O 3.3Å; R61-L388 PolarHBondContact NH1-O 3.08Å
62S96.8Very high94.9Very high110 Ų11041.8 Ų41.877%0.76921%0.207SC*.Hα-helixtrans-63.2-32.2175.8-175.30000113.1K58 R59K58-S62 WeakPolarHBondContact O-CB 3.44Å; K58-S62 PolarHBondContact O-N 2.97Å; R59-S62 PolarHBondContact O-N 3.28Å
63K97.8Very high94.8Very high128 Ų12842 Ų4256%0.55722%0.215SC*.Hα-helixtrans-82.3-40.3-177.7-176.4178.7174.4-169.30112.9D36 R59 M60 R61D36-K63 IonicContact OD2-NZ 2.63Å; D36-K63 PolarHBondContact OD2-NZ 3.24Å; R59-K63 WeakPolarHBondContact O-CB 3.47Å; R59-K63 PolarHBondContact O-N 3.37Å; M60-K63 PolarHBondContact O-N 3.43Å; M60-K63 VanDerWaalsContact O-N 3.17Å; R61-K63 VanDerWaalsContact C-N 3.27Å; R61-K63 PolarHBondContact O-N 3.07Å
64H97.3Very high94.5Very high44 Ų4442.6 Ų42.620%0.20423%0.225CC..Hα-helixtrans-118-6.3-167.3-60.4-66000114.1P34 D36 M60 F68P34-H64 HydrophobicContact CB-CB 4.27Å; P34-H64 HydrophobicContact CG-CB 4.44Å; D36-H64 WeakPolarHBondContact CB-NE2 3.42Å; D36-H64 IonicContact OD2-CE1 3.07Å; D36-H64 PolarHBondContact OD2-CE1 3.4Å; D36-H64 IonicContact OD2-NE2 3.5Å; D36-H64 PolarHBondContact OD2-NE2 3.39Å; M60-H64 PolarHBondContact O-N 3.01Å; H64-F68 HydrophobicContact CB-CB 3.6Å; H64-F68 HydrophobicContact CB-CD1 4.25Å; H64-F68 HydrophobicContact CB-CG 4.15Å
65G95.8Very high94.4Very high35 Ų3545.8 Ų45.836%0.36124%0.24SC..  trans85.1-162.6-173.200000112.9R61 V67 F68R61-G65 WeakPolarHBondContact CA-O 3.41Å; R61-G65 CarbonylContact O-C 3.57Å; R61-G65 VanDerWaalsContact O-CA 3.22Å; R61-G65 WeakPolarHBondContact O-CA 3.27Å; R61-G65 PolarHBondContact O-N 3.08Å; G65-V67 VanDerWaalsContact C-N 3.27Å; G65-V67 PolarHBondContact O-N 3.5Å; G65-F68 WeakPolarHBondContact O-CD1 3.48Å
66D96Very high94.3Very high57 Ų5744.4 Ų44.431%0.30523%0.233SC..SBendtrans-75.7-8.6-173-72.2-33.3000114.7R61 V80 M81 D82R61-D66 IonicContact CZ-OD1 3.79Å; R61-D66 IonicContact NE-OD1 3.32Å; R61-D66 PolarHBondContact NE-OD1 3.26Å; R61-D66 IonicContact NH2-OD1 3.28Å; R61-D66 PolarHBondContact NH2-OD1 3.5Å; R61-D66 IonicContact NH2-OD2 2.83Å; D66-V80 CarbonylContact O-C 3.6Å; D66-V80 WeakPolarHBondContact O-CA 3.48Å; D66-M81 HydrophobicContact CB-CB 4.43Å; D66-M81 PolarHBondContact O-N 2.9Å; D66-D82 HydrophobicContact CB-CB 3.99Å
67V97.8Very high94.4Very high4 Ų444.1 Ų44.12%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-135.1120.9179.5-167.90000110.6P33 P34 G65 T78 F79 V80 M368 Y374 F376P33-V67 HydrophobicContact CB-CG1 3.92Å; P33-V67 HydrophobicContact CG-CG1 3.7Å; P34-V67 WeakPolarHBondContact CD-O 3.34Å; G65-V67 VanDerWaalsContact C-N 3.27Å; G65-V67 PolarHBondContact O-N 3.5Å; V67-T78 HydrophobicContact CG1-CG2 4.39Å; V67-F79 WeakPolarHBondContact CA-O 3.12Å; V67-V80 HydrophobicContact CG1-CG2 4.14Å; V67-V80 HydrophobicContact CG2-CG2 4.49Å; V67-M368 HydrophobicContact CG2-CE 3.56Å; V67-M368 HydrophobicContact CG2-SD 4.19Å; V67-Y374 HydrophobicContact CB-CD2 4.17Å; V67-Y374 HydrophobicContact CB-CE2 3.74Å; V67-Y374 HydrophobicContact CG1-CD2 4Å; V67-Y374 HydrophobicContact CG1-CE2 4.08Å; V67-Y374 HydrophobicContact CG1-CG 4.21Å; V67-Y374 HydrophobicContact CG2-CD2 4.06Å; V67-Y374 HydrophobicContact CG2-CE2 3.65Å; V67-F376 HydrophobicContact CG1-CE1 4.45Å
68F97.8Very high94.4Very high0 Ų044.1 Ų44.10%023%0.232CC..EExtended strand (participates in β ladder)trans-156.8155.3-179.757.5-93.1000112.2L57 M60 R61 H64 G65 V70 T78 F79 M81L57-F68 HydrophobicContact CD2-CE2 4.25Å; L57-F68 HydrophobicContact CD2-CZ 4.07Å; M60-F68 HydrophobicContact CB-CD2 4.04Å; M60-F68 HydrophobicContact CB-CE1 4.08Å; M60-F68 HydrophobicContact CB-CE2 3.46Å; M60-F68 VanDerWaalsContact CB-CE2 3.46Å; M60-F68 HydrophobicContact CB-CZ 3.48Å; M60-F68 VanDerWaalsContact CB-CZ 3.48Å; M60-F68 HydrophobicContact CG-CE2 4.22Å; R61-F68 HydrophobicContact CB-CE1 4.26Å; H64-F68 HydrophobicContact CB-CB 3.6Å; H64-F68 HydrophobicContact CB-CD1 4.25Å; H64-F68 HydrophobicContact CB-CG 4.15Å; G65-F68 WeakPolarHBondContact O-CD1 3.48Å; F68-V70 HydrophobicContact CD2-CG1 3.97Å; F68-V70 HydrophobicContact CE2-CG1 4.24Å; F68-T78 CarbonylContact O-C 3.58Å; F68-T78 VanDerWaalsContact O-CA 3.31Å; F68-T78 WeakPolarHBondContact O-CA 3.06Å; F68-F79 HydrophobicContact CD2-CB 4.28Å; F68-F79 HydrophobicContact CD2-CD2 4.33Å; F68-F79 HydrophobicContact CE1-CB 4.15Å; F68-F79 HydrophobicContact CE2-CB 3.78Å; F68-F79 AromaticContact CE2-CD2 3.68Å; F68-F79 HydrophobicContact CE2-CD2 3.68Å; F68-F79 AromaticContact CE2-CG 3.97Å; F68-F79 HydrophobicContact CE2-CG 3.97Å; F68-F79 HydrophobicContact CZ-CB 3.71Å; F68-F79 HydrophobicContact CZ-CD2 4.28Å; F68-F79 HydrophobicContact CZ-CG 4.11Å; F68-F79 PolarHBondContact N-O 3.17Å; F68-F79 PolarHBondContact O-N 3.46Å; F68-M81 HydrophobicContact CE1-CG 4.28Å; F68-M81 HydrophobicContact CE1-SD 3.72Å; F68-M81 HydrophobicContact CZ-SD 3.93Å
69T97.8Very high94.5Very high4 Ų439.3 Ų39.33%0.02521%0.211CC..EExtended strand (participates in β ladder)trans-114128.4178-53.40000110.5P34 L35 D36 Y76 F77 T78P34-T69 PolarHBondContact O-N 3.05Å; L35-T69 WeakPolarHBondContact CA-O 3.3Å; L35-T69 HydrophobicContact CD1-CG2 3.72Å; D36-T69 PolarHBondContact N-O 3.1Å; T69-Y76 HydrophobicContact CG2-CD1 4.48Å; T69-F77 CarbonylContact C-O 3.6Å; T69-F77 VanDerWaalsContact CA-O 3.28Å; T69-F77 WeakPolarHBondContact CA-O 3.39Å; T69-T78 WeakPolarHBondContact CG2-OG1 3.34Å; T69-T78 PolarHBondContact OG1-OG1 3.42Å
70V95.8Very high94.5Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-122.2149.8176.3-68.50000111.9D36 Y45 F56 M60 F68 L72 Y76 F77 F79D36-V70 HydrophobicContact CB-CG1 4.44Å; D36-V70 VanDerWaalsContact O-CA 3.31Å; D36-V70 WeakPolarHBondContact O-CA 3.23Å; Y45-V70 HydrophobicContact CD2-CB 4.27Å; Y45-V70 HydrophobicContact CD2-CG1 4.22Å; Y45-V70 HydrophobicContact CE2-CG1 4.47Å; F56-V70 HydrophobicContact CE1-CG2 4.39Å; F56-V70 HydrophobicContact CZ-CB 4.42Å; F56-V70 HydrophobicContact CZ-CG1 4.09Å; F56-V70 HydrophobicContact CZ-CG2 4.37Å; M60-V70 HydrophobicContact CG-CG1 4.42Å; M60-V70 HydrophobicContact SD-CG1 4.25Å; F68-V70 HydrophobicContact CD2-CG1 3.97Å; F68-V70 HydrophobicContact CE2-CG1 4.24Å; V70-L72 HydrophobicContact CG2-CD1 4.21Å; V70-L72 HydrophobicContact CG2-CD2 4.38Å; V70-L72 HydrophobicContact CG2-CG 4.08Å; V70-Y76 WeakPolarHBondContact O-CA 3.38Å; V70-F77 HydrophobicContact CG2-CB 4.27Å; V70-F77 PolarHBondContact N-O 2.84Å; V70-F77 PolarHBondContact O-N 3.31Å; V70-F79 HydrophobicContact CG2-CD2 3.99Å; V70-F79 HydrophobicContact CG2-CE2 3.67Å
71Q93Very high94.4Very high3 Ų330.3 Ų30.31%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-88.9125.4171-174.1170.53500110.5D36 K37 W42 G44 Y45 Q75 Y76D36-Q71 PolarHBondContact O-N 2.97Å; K37-Q71 HydrophobicContact CB-CB 4.33Å; W42-Q71 PolarHBondContact O-NE2 3.35Å; G44-Q71 WeakPolarHBondContact CA-O 3.43Å; Y45-Q71 PolarHBondContact N-O 3.47Å; Q71-Q75 CarbonylContact C-O 3.57Å; Q71-Q75 WeakPolarHBondContact CA-O 3.49Å; Q71-Y76 HydrophobicContact CB-CD1 4.18Å; Q71-Y76 HydrophobicContact CB-CE1 3.95Å; Q71-Y76 HydrophobicContact CG-CE1 4.1Å; Q71-Y76 PolarHBondContact NE2-OH 3.5Å
72L89.3Confident94.3Very high13 Ų1328.7 Ų28.77%0.06817%0.171CC..EExtended strand (participates in β ladder)trans-132.5107.4176.9-57.2177000108.9F49 V70 G74 Q75 F77F49-L72 HydrophobicContact CB-CD2 3.79Å; F49-L72 HydrophobicContact CD1-CD1 4.35Å; F49-L72 HydrophobicContact CD2-CD1 3.69Å; F49-L72 HydrophobicContact CD2-CD2 4.16Å; F49-L72 HydrophobicContact CE1-CD1 4.49Å; F49-L72 HydrophobicContact CE2-CD1 3.84Å; F49-L72 HydrophobicContact CG-CD1 3.96Å; F49-L72 HydrophobicContact CG-CD2 4.06Å; F49-L72 HydrophobicContact CZ-CD1 4.24Å; V70-L72 HydrophobicContact CG2-CD1 4.21Å; V70-L72 HydrophobicContact CG2-CD2 4.38Å; V70-L72 HydrophobicContact CG2-CG 4.08Å; L72-G74 PolarHBondContact O-N 2.73Å; L72-Q75 PolarHBondContact N-O 3.36Å; L72-Q75 PolarHBondContact O-N 3.08Å; L72-Q75 VanDerWaalsContact O-N 3.09Å; L72-F77 HydrophobicContact CB-CD2 3.86Å; L72-F77 HydrophobicContact CB-CE2 4.04Å; L72-F77 HydrophobicContact CD1-CB 4.2Å; L72-F77 HydrophobicContact CD1-CD2 3.76Å; L72-F77 HydrophobicContact CD1-CE2 4.26Å; L72-F77 HydrophobicContact CD1-CG 3.96Å; L72-F77 HydrophobicContact CG-CD2 4.08Å
73G83.7Confident94.2Very high30 Ų3023.8 Ų23.831%0.30914%0.137SC..THydrogen-bonded Turntrans58.345.4172.300000113.9L43 Q75L43-G73 PolarHBondContact O-N 2.99Å; G73-Q75 PolarHBondContact O-N 2.98Å
74G83.8Confident94Very high26 Ų2620.4 Ų20.427%0.26812%0.124SC..THydrogen-bonded Turntrans82.8-12-179.200000115W42 L72W42-G74 WeakPolarHBondContact O-CA 3.38Å; W42-G74 PolarHBondContact O-N 2.83Å; L72-G74 PolarHBondContact O-N 2.73Å
75Q88.4Confident93.9Very high99 Ų9918.5 Ų18.546%0.46312%0.116SC..EExtended strand (participates in β ladder)trans-100.3156.1178.1-62.4-175.4-35.300111.5Q71 L72 G73 F77 I381Q71-Q75 CarbonylContact C-O 3.57Å; Q71-Q75 WeakPolarHBondContact CA-O 3.49Å; L72-Q75 PolarHBondContact N-O 3.36Å; L72-Q75 PolarHBondContact O-N 3.08Å; L72-Q75 VanDerWaalsContact O-N 3.09Å; G73-Q75 PolarHBondContact O-N 2.98Å; Q75-F77 HydrophobicContact CB-CD2 4.24Å; Q75-F77 HydrophobicContact CB-CE2 3.8Å; Q75-I381 HydrophobicContact CB-CD1 4.31Å
76Y92.9Very high93.7Very high25 Ų2516.9 Ų16.910%0.09810%0.099CC..EExtended strand (participates in β ladder)trans-108.1116175.4-64.4-80.4000109.6G23 R26 L35 K37 T69 V70 Q71 I381G23-Y76 WeakPolarHBondContact CA-OH 3.35Å; G23-Y76 PolarHBondContact O-OH 2.87Å; R26-Y76 HydrophobicContact CB-CE1 4Å; R26-Y76 HydrophobicContact CB-CE2 4.13Å; R26-Y76 VanDerWaalsContact CB-CZ 3.48Å; R26-Y76 WeakPolarHBondContact CB-OH 3.5Å; R26-Y76 HydrophobicContact CG-CD1 4.34Å; R26-Y76 HydrophobicContact CG-CE1 3.72Å; R26-Y76 HydrophobicContact CG-CE2 4.06Å; L35-Y76 HydrophobicContact CD1-CD1 3.96Å; L35-Y76 HydrophobicContact CD1-CE1 4.2Å; K37-Y76 HydrophobicContact CD-CE1 4.34Å; K37-Y76 HydrophobicContact CG-CE1 4.37Å; T69-Y76 HydrophobicContact CG2-CD1 4.48Å; V70-Y76 WeakPolarHBondContact O-CA 3.38Å; Q71-Y76 HydrophobicContact CB-CD1 4.18Å; Q71-Y76 HydrophobicContact CB-CE1 3.95Å; Q71-Y76 HydrophobicContact CG-CE1 4.1Å; Q71-Y76 PolarHBondContact NE2-OH 3.5Å; Y76-I381 PolarHBondContact O-N 2.88Å
77F95Very high93.5Very high7 Ų715.1 Ų15.13%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-102.8120.9176.6-75.6-104.3000109.2T69 V70 L72 Q75 F79 L357 I381 A383T69-F77 CarbonylContact C-O 3.6Å; T69-F77 VanDerWaalsContact CA-O 3.28Å; T69-F77 WeakPolarHBondContact CA-O 3.39Å; V70-F77 HydrophobicContact CG2-CB 4.27Å; V70-F77 PolarHBondContact N-O 2.84Å; V70-F77 PolarHBondContact O-N 3.31Å; L72-F77 HydrophobicContact CB-CD2 3.86Å; L72-F77 HydrophobicContact CB-CE2 4.04Å; L72-F77 HydrophobicContact CD1-CB 4.2Å; L72-F77 HydrophobicContact CD1-CD2 3.76Å; L72-F77 HydrophobicContact CD1-CE2 4.26Å; L72-F77 HydrophobicContact CD1-CG 3.96Å; L72-F77 HydrophobicContact CG-CD2 4.08Å; Q75-F77 HydrophobicContact CB-CD2 4.24Å; Q75-F77 HydrophobicContact CB-CE2 3.8Å; F77-F79 HydrophobicContact CB-CD2 4.29Å; F77-F79 HydrophobicContact CB-CE2 3.65Å; F77-F79 HydrophobicContact CB-CZ 4.26Å; F77-L357 HydrophobicContact CD1-CD2 4.21Å; F77-L357 HydrophobicContact CE1-CD1 4.45Å; F77-L357 HydrophobicContact CE1-CD2 3.94Å; F77-I381 CarbonylContact C-O 3.59Å; F77-I381 VanDerWaalsContact CA-O 3.27Å; F77-I381 WeakPolarHBondContact CA-O 3.17Å; F77-I381 HydrophobicContact CD1-CB 3.9Å; F77-I381 HydrophobicContact CD1-CD1 4.47Å; F77-I381 HydrophobicContact CD1-CG2 3.68Å; F77-I381 HydrophobicContact CD2-CD1 4.46Å; F77-I381 HydrophobicContact CE1-CB 3.97Å; F77-I381 HydrophobicContact CE1-CD1 3.83Å; F77-I381 HydrophobicContact CE1-CG2 3.58Å; F77-I381 HydrophobicContact CE2-CD1 3.82Å; F77-I381 HydrophobicContact CG-CB 4.27Å; F77-I381 HydrophobicContact CZ-CB 4.41Å; F77-I381 HydrophobicContact CZ-CD1 3.46Å; F77-I381 VanDerWaalsContact CZ-CD1 3.46Å; F77-I381 HydrophobicContact CZ-CG2 4.36Å; F77-A383 HydrophobicContact CD1-CB 4.3Å
78T97.2Very high93.1Very high1 Ų117.3 Ų17.31%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-99.1114171-57.50000109.1P33 V67 F68 T69 F376 I381 L382 A383P33-T78 HydrophobicContact CB-CG2 4.27Å; P33-T78 HydrophobicContact CG-CG2 3.8Å; V67-T78 HydrophobicContact CG1-CG2 4.39Å; F68-T78 CarbonylContact O-C 3.58Å; F68-T78 VanDerWaalsContact O-CA 3.31Å; F68-T78 WeakPolarHBondContact O-CA 3.06Å; T69-T78 WeakPolarHBondContact CG2-OG1 3.34Å; T69-T78 PolarHBondContact OG1-OG1 3.42Å; T78-F376 HydrophobicContact CG2-CD1 3.75Å; T78-F376 HydrophobicContact CG2-CE1 3.46Å; T78-F376 VanDerWaalsContact CG2-CE1 3.46Å; T78-I381 PolarHBondContact N-O 3.27Å; T78-L382 HydrophobicContact CG2-CD1 4.15Å; T78-L382 CarbonylContact O-C 3.6Å; T78-L382 WeakPolarHBondContact O-CA 3.28Å; T78-A383 PolarHBondContact O-N 3.4Å
79F97.6Very high92.8Very high1 Ų117.4 Ų17.40%0.00411%0.109CC..EExtended strand (participates in β ladder)trans-88.3134.1176.9-72-90000110.1F49 L57 V67 F68 V70 F77 M81 A383F49-F79 AromaticContact CE2-CZ 3.82Å; F49-F79 HydrophobicContact CE2-CZ 3.82Å; F49-F79 HydrophobicContact CZ-CZ 4.4Å; L57-F79 HydrophobicContact CD1-CD1 4.26Å; L57-F79 HydrophobicContact CD1-CE1 3.87Å; L57-F79 HydrophobicContact CD1-CZ 4.46Å; L57-F79 HydrophobicContact CD2-CD1 3.76Å; L57-F79 HydrophobicContact CD2-CD2 3.94Å; L57-F79 HydrophobicContact CD2-CE1 3.64Å; L57-F79 HydrophobicContact CD2-CE2 3.82Å; L57-F79 HydrophobicContact CD2-CG 3.91Å; L57-F79 HydrophobicContact CD2-CZ 3.69Å; L57-F79 HydrophobicContact CG-CE1 4.43Å; V67-F79 WeakPolarHBondContact CA-O 3.12Å; F68-F79 HydrophobicContact CD2-CB 4.28Å; F68-F79 HydrophobicContact CD2-CD2 4.33Å; F68-F79 HydrophobicContact CE1-CB 4.15Å; F68-F79 HydrophobicContact CE2-CB 3.78Å; F68-F79 AromaticContact CE2-CD2 3.68Å; F68-F79 HydrophobicContact CE2-CD2 3.68Å; F68-F79 AromaticContact CE2-CG 3.97Å; F68-F79 HydrophobicContact CE2-CG 3.97Å; F68-F79 HydrophobicContact CZ-CB 3.71Å; F68-F79 HydrophobicContact CZ-CD2 4.28Å; F68-F79 HydrophobicContact CZ-CG 4.11Å; F68-F79 PolarHBondContact N-O 3.17Å; F68-F79 PolarHBondContact O-N 3.46Å; V70-F79 HydrophobicContact CG2-CD2 3.99Å; V70-F79 HydrophobicContact CG2-CE2 3.67Å; F77-F79 HydrophobicContact CB-CD2 4.29Å; F77-F79 HydrophobicContact CB-CE2 3.65Å; F77-F79 HydrophobicContact CB-CZ 4.26Å; F79-M81 HydrophobicContact CB-CG 4.33Å; F79-A383 VanDerWaalsContact CA-O 3.32Å; F79-A383 WeakPolarHBondContact CA-O 3.41Å; F79-A383 HydrophobicContact CD1-CB 3.72Å; F79-A383 HydrophobicContact CE1-CB 3.59Å; F79-A383 HydrophobicContact CG-CB 4.3Å; F79-A383 HydrophobicContact CZ-CB 4.07Å
80V97.1Very high92.4Very high0 Ų017.3 Ų17.30%011%0.108CC..EExtended strand (participates in β ladder)trans-117.3119.7167.4175.80000107.2D66 V67 F86 I89 M368 F376 L382 A383 L384D66-V80 CarbonylContact O-C 3.6Å; D66-V80 WeakPolarHBondContact O-CA 3.48Å; V67-V80 HydrophobicContact CG1-CG2 4.14Å; V67-V80 HydrophobicContact CG2-CG2 4.49Å; V80-F86 HydrophobicContact CG1-CD1 4.39Å; V80-F86 HydrophobicContact CG1-CE1 4.31Å; V80-F86 VanDerWaalsContact O-CE1 3.31Å; V80-F86 WeakPolarHBondContact O-CE1 3.44Å; V80-I89 HydrophobicContact CB-CD1 4.03Å; V80-I89 HydrophobicContact CG1-CD1 3.88Å; V80-I89 HydrophobicContact CG2-CD1 4.01Å; V80-M368 HydrophobicContact CG1-CE 3.6Å; V80-F376 HydrophobicContact CG2-CE1 4.21Å; V80-F376 HydrophobicContact CG2-CZ 3.92Å; V80-L382 HydrophobicContact CG2-CD1 3.72Å; V80-A383 PolarHBondContact N-O 3.35Å; V80-L384 HydrophobicContact CB-CD2 3.72Å; V80-L384 HydrophobicContact CG1-CD2 4.25Å; V80-L384 WeakPolarHBondContact O-CD2 3.45Å
81M95.7Very high91.8Very high0 Ų024.7 Ų24.70%014%0.141CC..  trans-119.73.3-170.5-50.9-158.571.500113.6R61 D66 F68 F79 P83 F385 L388 S389R61-M81 HydrophobicContact CB-SD 3.86Å; R61-M81 HydrophobicContact CG-SD 4.03Å; R61-M81 PolarHBondContact NH2-O 3.3Å; D66-M81 HydrophobicContact CB-CB 4.43Å; D66-M81 PolarHBondContact O-N 2.9Å; F68-M81 HydrophobicContact CE1-CG 4.28Å; F68-M81 HydrophobicContact CE1-SD 3.72Å; F68-M81 HydrophobicContact CZ-SD 3.93Å; F79-M81 HydrophobicContact CB-CG 4.33Å; M81-P83 WeakPolarHBondContact O-CD 3.34Å; M81-F385 HydrophobicContact CE-CB 4.48Å; M81-L388 HydrophobicContact CE-CB 3.87Å; M81-L388 HydrophobicContact CE-CD2 3.5Å; M81-L388 HydrophobicContact CE-CG 3.71Å; M81-S389 WeakPolarHBondContact CA-OG 3.31Å; M81-S389 WeakPolarHBondContact O-CB 3.49Å; M81-S389 PolarHBondContact O-OG 2.96Å
82D94.6Very high91.2Very high15 Ų1526 Ų268%0.0815%0.147CC..  trans-88109.8170.6170.227.2000110D66 L84 S85 F86 M368D66-D82 HydrophobicContact CB-CB 3.99Å; D82-L84 PolarHBondContact O-N 2.77Å; D82-L84 WeakPolarHBondContact OD1-CB 3.45Å; D82-L84 PolarHBondContact OD1-N 2.91Å; D82-S85 PolarHBondContact O-N 2.95Å; D82-S85 WeakPolarHBondContact OD2-CB 3.3Å; D82-S85 PolarHBondContact OD2-OG 3.24Å; D82-F86 WeakPolarHBondContact O-CD1 3.35Å; D82-F86 VanDerWaalsContact O-CE1 3.31Å; D82-F86 WeakPolarHBondContact O-CE1 3.33Å; D82-M368 HydrophobicContact CB-CE 4.45Å
83P94.3Very high90.1Very high8 Ų829.9 Ų29.95%0.05217%0.172CC..G310 helixtrans-66-22.6-177.428.9-36.6000113.6M81 S85 F86 S389 V390 I396 K421M81-P83 WeakPolarHBondContact O-CD 3.34Å; P83-S85 PolarHBondContact O-N 3.11Å; P83-F86 HydrophobicContact CB-CD2 4.31Å; P83-F86 HydrophobicContact CB-CE2 4.18Å; P83-F86 HydrophobicContact CB-CZ 4.47Å; P83-F86 PolarHBondContact O-N 2.85Å; P83-S389 WeakPolarHBondContact CG-O 3.31Å; P83-V390 HydrophobicContact CB-CG2 3.65Å; P83-V390 HydrophobicContact CG-CG2 4.46Å; P83-I396 HydrophobicContact CG-CD1 4.15Å; P83-K421 HydrophobicContact CG-CD 3.7Å
84L93.8Very high89.3Confident57 Ų5732.8 Ų32.830%0.29818%0.178SC..G310 helixtrans-68.3-18.1174.8-65.1170.1000112.1D82 A369 K424 I426D82-L84 PolarHBondContact O-N 2.77Å; D82-L84 WeakPolarHBondContact OD1-CB 3.45Å; D82-L84 PolarHBondContact OD1-N 2.91Å; L84-A369 HydrophobicContact CB-CB 3.51Å; L84-K424 HydrophobicContact CD1-CD 4.33Å; L84-K424 HydrophobicContact CD2-CB 4.17Å; L84-I426 HydrophobicContact CD2-CG2 3.73Å
85S93.6Very high89.1Confident4 Ų442.4 Ų42.43%0.02821%0.206CC..G310 helixtrans-102.11.4-178.8-61.70000113.9D82 P83 G87 M368 A369D82-S85 PolarHBondContact O-N 2.95Å; D82-S85 WeakPolarHBondContact OD2-CB 3.3Å; D82-S85 PolarHBondContact OD2-OG 3.24Å; P83-S85 PolarHBondContact O-N 3.11Å; S85-G87 PolarHBondContact O-N 3.28Å; S85-M368 VanDerWaalsContact OG-CE 3.31Å; S85-M368 WeakPolarHBondContact OG-CE 3.16Å; S85-A369 WeakPolarHBondContact OG-CB 3.4Å; S85-A369 PolarHBondContact OG-N 3.41Å
86F93.5Very high88.8Confident0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-70.6-30.9-177.1-72.80.4000113.7V80 D82 P83 I89 L90 L384 V390 M431V80-F86 HydrophobicContact CG1-CD1 4.39Å; V80-F86 HydrophobicContact CG1-CE1 4.31Å; V80-F86 VanDerWaalsContact O-CE1 3.31Å; V80-F86 WeakPolarHBondContact O-CE1 3.44Å; D82-F86 WeakPolarHBondContact O-CD1 3.35Å; D82-F86 VanDerWaalsContact O-CE1 3.31Å; D82-F86 WeakPolarHBondContact O-CE1 3.33Å; P83-F86 HydrophobicContact CB-CD2 4.31Å; P83-F86 HydrophobicContact CB-CE2 4.18Å; P83-F86 HydrophobicContact CB-CZ 4.47Å; P83-F86 PolarHBondContact O-N 2.85Å; F86-I89 WeakPolarHBondContact O-CB 3.47Å; F86-I89 PolarHBondContact O-N 2.78Å; F86-I89 VanDerWaalsContact O-N 3.08Å; F86-L90 HydrophobicContact CB-CD1 3.76Å; F86-L90 HydrophobicContact CB-CG 4.29Å; F86-L90 VanDerWaalsContact O-CG 3.32Å; F86-L90 WeakPolarHBondContact O-CG 3.21Å; F86-L90 PolarHBondContact O-N 2.89Å; F86-L384 HydrophobicContact CB-CD1 4.33Å; F86-L384 HydrophobicContact CD1-CD1 4.02Å; F86-L384 HydrophobicContact CD1-CD2 3.86Å; F86-L384 HydrophobicContact CD1-CG 4.45Å; F86-L384 HydrophobicContact CD2-CD1 4.26Å; F86-L384 HydrophobicContact CE1-CB 4.39Å; F86-L384 HydrophobicContact CE1-CD1 4.39Å; F86-L384 HydrophobicContact CE1-CD2 3.8Å; F86-L384 HydrophobicContact CE1-CG 4.42Å; F86-L384 HydrophobicContact CG-CD1 3.95Å; F86-L384 HydrophobicContact CZ-CB 4.27Å; F86-L384 HydrophobicContact CZ-CD2 4.49Å; F86-V390 HydrophobicContact CE2-CG2 3.96Å; F86-M431 HydrophobicContact CD2-CE 4.32Å; F86-M431 HydrophobicContact CD2-SD 3.8Å; F86-M431 HydrophobicContact CE2-SD 3.96Å
87G90.8Very high88.4Confident20 Ų2039.4 Ų39.421%0.20619%0.192CC..Hα-helixtrans-51.3-55.9-171.300000114.7S85 I89 L90 K91S85-G87 PolarHBondContact O-N 3.28Å; G87-I89 VanDerWaalsContact C-N 3.28Å; G87-I89 PolarHBondContact O-N 3.44Å; G87-L90 PolarHBondContact O-N 3.49Å; G87-K91 WeakPolarHBondContact O-CB 3.21Å; G87-K91 WeakPolarHBondContact O-CG 3.32Å; G87-K91 PolarHBondContact O-N 3.22Å
88P89.8Confident87.9Confident50 Ų5041.2 Ų41.233%0.32520%0.202SC..Hα-helixtrans-61-33.7178.5-24.834.8000114D92 T93 L366P88-D92 PolarHBondContact O-N 2.89Å; P88-T93 PolarHBondContact O-N 2.88Å; P88-L366 HydrophobicContact CB-CD1 3.72Å; P88-L366 HydrophobicContact CG-CD1 4.19Å
89I91.3Very high87.2Confident2 Ų243.9 Ų43.91%0.0121%0.213CC..Hα-helixtrans-69.7-47.3178.9-62.4170.5000110.3V80 F86 G87 D92 L97 L366 L382 L384V80-I89 HydrophobicContact CB-CD1 4.03Å; V80-I89 HydrophobicContact CG1-CD1 3.88Å; V80-I89 HydrophobicContact CG2-CD1 4.01Å; F86-I89 WeakPolarHBondContact O-CB 3.47Å; F86-I89 PolarHBondContact O-N 2.78Å; F86-I89 VanDerWaalsContact O-N 3.08Å; G87-I89 VanDerWaalsContact C-N 3.28Å; G87-I89 PolarHBondContact O-N 3.44Å; I89-D92 PolarHBondContact O-N 2.9Å; I89-L97 HydrophobicContact CB-CD1 4.24Å; I89-L97 HydrophobicContact CG1-CD1 4.49Å; I89-L97 HydrophobicContact CG2-CD1 3.93Å; I89-L366 HydrophobicContact CD1-CD2 3.69Å; I89-L366 HydrophobicContact CG1-CD2 3.67Å; I89-L382 HydrophobicContact CB-CD2 4.45Å; I89-L382 HydrophobicContact CD1-CD2 4.03Å; I89-L382 HydrophobicContact CG1-CD2 4Å; I89-L382 HydrophobicContact CG2-CD2 3.67Å; I89-L382 HydrophobicContact CG2-CG 4.49Å; I89-L384 HydrophobicContact CD1-CD2 3.94Å; I89-L384 HydrophobicContact CG2-CD1 4.06Å; I89-L384 HydrophobicContact CG2-CD2 4.25Å; I89-L384 HydrophobicContact CG2-CG 4.34Å
90L89.1Confident86.5Confident3 Ų344.7 Ų44.72%0.01622%0.222CC..Hα-helixtrans-69.8-37-176.2-68.5171.2000112.8F86 G87 D92 L356 L384 H428 M431F86-L90 HydrophobicContact CB-CD1 3.76Å; F86-L90 HydrophobicContact CB-CG 4.29Å; F86-L90 VanDerWaalsContact O-CG 3.32Å; F86-L90 WeakPolarHBondContact O-CG 3.21Å; F86-L90 PolarHBondContact O-N 2.89Å; G87-L90 PolarHBondContact O-N 3.49Å; L90-D92 VanDerWaalsContact C-N 3.29Å; L90-L356 HydrophobicContact CD2-CD2 3.64Å; L90-L384 HydrophobicContact CD2-CD1 3.69Å; L90-L384 HydrophobicContact CG-CD1 4.02Å; L90-H428 WeakPolarHBondContact CD1-NE2 3.33Å; L90-M431 HydrophobicContact CD1-CE 3.65Å; L90-M431 HydrophobicContact CD2-CE 4.15Å
91K84.1Confident85.8Confident155 Ų15548.5 Ų48.567%0.67424%0.24SC*.Hα-helixtrans-78.8-13.3177.1-68.9179-179.4-177.90113.2G87 T93G87-K91 WeakPolarHBondContact O-CB 3.21Å; G87-K91 WeakPolarHBondContact O-CG 3.32Å; G87-K91 PolarHBondContact O-N 3.22Å; K91-T93 VanDerWaalsContact C-N 3.27Å; K91-T93 HydrophobicContact CB-CG2 3.8Å; K91-T93 HydrophobicContact CD-CG2 4.43Å; K91-T93 PolarHBondContact O-N 3.41Å
92D79.1Confident85.2Confident30 Ų3050 Ų5016%0.1625%0.246CC..THydrogen-bonded Turntrans43.853.4-169.3-174.423.5000111.8P88 I89 L90 Q94 R95 K96 L97P88-D92 PolarHBondContact O-N 2.89Å; I89-D92 PolarHBondContact O-N 2.9Å; L90-D92 VanDerWaalsContact C-N 3.29Å; D92-Q94 PolarHBondContact O-N 3.22Å; D92-R95 PolarHBondContact O-N 3.33Å; D92-R95 WeakPolarHBondContact OD1-CA 3.24Å; D92-R95 PolarHBondContact OD1-N 3.4Å; D92-R95 VanDerWaalsContact OD1-N 3.13Å; D92-R95 VanDerWaalsContact OD2-CA 3.25Å; D92-R95 WeakPolarHBondContact OD2-CA 3.42Å; D92-K96 PolarHBondContact OD1-N 3.09Å; D92-L97 HydrophobicContact CB-CB 4.22Å; D92-L97 WeakPolarHBondContact OD1-CB 3.17Å; D92-L97 PolarHBondContact OD1-N 2.9Å; D92-L97 PolarHBondContact OD2-N 3.37Å; D92-L97 VanDerWaalsContact OD2-O 3.04Å
93T65.8Low84.8Confident95 Ų9550.4 Ų50.458%0.58325%0.251SS*.THydrogen-bonded Turntrans-58.9-21.8-17250.70000113.6P88 K91P88-T93 PolarHBondContact O-N 2.88Å; K91-T93 VanDerWaalsContact C-N 3.27Å; K91-T93 HydrophobicContact CB-CG2 3.8Å; K91-T93 HydrophobicContact CD-CG2 4.43Å; K91-T93 PolarHBondContact O-N 3.41Å
94Q68.2Low84.5Confident91 Ų9154.9 Ų54.943%0.42527%0.269SS..THydrogen-bonded Turntrans-99.5-3.5-179.9-63.3-172.4900113.6D92 K96D92-Q94 PolarHBondContact O-N 3.22Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 HydrophobicContact CB-CD 4.25Å; Q94-K96 HydrophobicContact CB-CG 4.2Å; Q94-K96 WeakPolarHBondContact O-CG 3.46Å; Q94-K96 PolarHBondContact O-N 2.95Å
95R79.3Confident84.3Confident227 Ų22758.6 Ų58.686%0.85728%0.283SS*.SBendtrans56.836.4-174.6-59.5-175.3178.1-176.3-1113.9D92D92-R95 PolarHBondContact O-N 3.33Å; D92-R95 WeakPolarHBondContact OD1-CA 3.24Å; D92-R95 PolarHBondContact OD1-N 3.4Å; D92-R95 VanDerWaalsContact OD1-N 3.13Å; D92-R95 VanDerWaalsContact OD2-CA 3.25Å; D92-R95 WeakPolarHBondContact OD2-CA 3.42Å
96K82.7Confident84Confident56 Ų5660.3 Ų60.324%0.24329%0.292CS..  trans-117-6.6-176.9-66.8-176.1-179-176.60112.9D92 Q94 H361 E362 Y364D92-K96 PolarHBondContact OD1-N 3.09Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 HydrophobicContact CB-CD 4.25Å; Q94-K96 HydrophobicContact CB-CG 4.2Å; Q94-K96 WeakPolarHBondContact O-CG 3.46Å; Q94-K96 PolarHBondContact O-N 2.95Å; K96-H361 PolarHBondContact O-N 3.4Å; K96-E362 HydrophobicContact CD-CB 4.29Å; K96-E362 HydrophobicContact CG-CB 4.44Å; K96-Y364 HydrophobicContact CB-CD1 4.38Å; K96-Y364 HydrophobicContact CB-CG 4.39Å; K96-Y364 VanDerWaalsContact CD-CB 3.41Å; K96-Y364 HydrophobicContact CD-CG 4.16Å
97L84.4Confident83.9Confident5 Ų561.5 Ų61.53%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-115.498.8-176.6-67.1178.3000110.6I89 D92 R358 V360 Y364 L382I89-L97 HydrophobicContact CB-CD1 4.24Å; I89-L97 HydrophobicContact CG1-CD1 4.49Å; I89-L97 HydrophobicContact CG2-CD1 3.93Å; D92-L97 HydrophobicContact CB-CB 4.22Å; D92-L97 WeakPolarHBondContact OD1-CB 3.17Å; D92-L97 PolarHBondContact OD1-N 2.9Å; D92-L97 PolarHBondContact OD2-N 3.37Å; D92-L97 VanDerWaalsContact OD2-O 3.04Å; L97-R358 HydrophobicContact CB-CB 3.94Å; L97-R358 HydrophobicContact CB-CG 4.11Å; L97-R358 HydrophobicContact CD2-CB 4.03Å; L97-R358 HydrophobicContact CG-CB 4.47Å; L97-V360 HydrophobicContact CD2-CG2 4.04Å; L97-Y364 WeakPolarHBondContact CD1-OH 3.47Å; L97-Y364 HydrophobicContact CD2-CE1 3.5Å; L97-Y364 HydrophobicContact CG-CE1 4.08Å; L97-L382 HydrophobicContact CD1-CD2 3.95Å; L97-L382 HydrophobicContact CD2-CB 4.41Å; L97-L382 HydrophobicContact CD2-CD2 3.81Å
98D83.4Confident84Confident46 Ų4664.6 Ų64.625%0.24631%0.31CS..EExtended strand (participates in β ladder)trans-97.4122.4-175-171.5-33.2000110.6G100 Q101 L359 H361D98-G100 VanDerWaalsContact OD1-CA 3.27Å; D98-G100 WeakPolarHBondContact OD1-CA 3.29Å; D98-G100 PolarHBondContact OD1-N 2.88Å; D98-Q101 PolarHBondContact OD1-N 3.44Å; D98-Q101 VanDerWaalsContact OD2-CG 3.31Å; D98-Q101 WeakPolarHBondContact OD2-CG 3.33Å; D98-Q101 PolarHBondContact OD2-NE2 3Å; D98-Q101 VanDerWaalsContact OD2-NE2 3.08Å; D98-L359 PolarHBondContact N-O 3.16Å; D98-L359 PolarHBondContact O-N 3.01Å; D98-H361 WeakPolarHBondContact CB-CD2 3.4Å; D98-H361 WeakPolarHBondContact CB-NE2 3.39Å; D98-H361 IonicContact OD2-CD2 2.8Å; D98-H361 IonicContact OD2-NE2 3.38Å
99F83.3Confident84.1Confident56 Ų5665.1 Ų65.125%0.24631%0.308CS..SBendtrans-84.5-38.8169170.1-113000112.2Q101 Y102 A103 V437F99-Q101 PolarHBondContact O-N 2.79Å; F99-Y102 PolarHBondContact O-N 3.43Å; F99-A103 HydrophobicContact CE1-CB 4.28Å; F99-A103 HydrophobicContact CE2-CB 4.4Å; F99-A103 HydrophobicContact CZ-CB 4.12Å; F99-A103 WeakPolarHBondContact O-CB 3.27Å; F99-A103 PolarHBondContact O-N 3.32Å; F99-V437 HydrophobicContact CB-CG2 4.23Å
100G82.5Confident84.1Confident18 Ų1865 Ų6519%0.18631%0.307CS..Hα-helixtrans-61.5-40.9-173.800000114.1D98 A103 K104D98-G100 VanDerWaalsContact OD1-CA 3.27Å; D98-G100 WeakPolarHBondContact OD1-CA 3.29Å; D98-G100 PolarHBondContact OD1-N 2.88Å; G100-A103 PolarHBondContact O-N 2.81Å; G100-K104 WeakPolarHBondContact O-CB 3.37Å; G100-K104 VanDerWaalsContact O-CG 3.26Å; G100-K104 WeakPolarHBondContact O-CG 3.3Å; G100-K104 PolarHBondContact O-N 3.44Å
101Q82.3Confident84.3Confident80 Ų8065.3 Ų65.337%0.37431%0.308SS..Hα-helixtrans-67.6-37.7177.1-81.2-169.258.800112.9D98 F99 K105 L359 H361D98-Q101 PolarHBondContact OD1-N 3.44Å; D98-Q101 VanDerWaalsContact OD2-CG 3.31Å; D98-Q101 WeakPolarHBondContact OD2-CG 3.33Å; D98-Q101 PolarHBondContact OD2-NE2 3Å; D98-Q101 VanDerWaalsContact OD2-NE2 3.08Å; F99-Q101 PolarHBondContact O-N 2.79Å; Q101-K105 WeakPolarHBondContact O-CG 3.42Å; Q101-K105 PolarHBondContact O-N 3.29Å; Q101-L359 HydrophobicContact CB-CD2 4.23Å; Q101-H361 PolarHBondContact NE2-CE1 3.45Å; Q101-H361 PolarHBondContact NE2-NE2 3.49Å; Q101-H361 PolarHBondContact OE1-CE1 3.31Å
102Y82.4Confident84.8Confident33 Ų3358.9 Ų58.913%0.12929%0.286CS..Hα-helixtrans-65.1-47.7172.8-176.4-90.5000110.4F99 K104 K105 L106 L357 I381F99-Y102 PolarHBondContact O-N 3.43Å; Y102-K104 PolarHBondContact O-N 3.21Å; Y102-K105 PolarHBondContact O-N 3.21Å; Y102-L106 HydrophobicContact CE1-CD2 4.3Å; Y102-L106 PolarHBondContact O-N 3.09Å; Y102-L357 HydrophobicContact CD1-CB 4.21Å; Y102-L357 HydrophobicContact CD1-CD1 4.26Å; Y102-L357 HydrophobicContact CE1-CB 4.19Å; Y102-L357 HydrophobicContact CE1-CD1 3.42Å; Y102-L357 VanDerWaalsContact CE1-CD1 3.42Å; Y102-L357 HydrophobicContact CE1-CG 4.43Å; Y102-L357 HydrophobicContact CE2-CD1 4.14Å; Y102-L357 VanDerWaalsContact OH-CD1 3.25Å; Y102-L357 WeakPolarHBondContact OH-CD1 3.42Å; Y102-I381 HydrophobicContact CD2-CD1 4.4Å; Y102-I381 HydrophobicContact CE2-CD1 3.96Å
103A86.3Confident85.5Confident22 Ų2257.6 Ų57.618%0.18228%0.279CS..Hα-helixtrans-58-44.5177.800000112.4F99 G100 K105 L106 V107F99-A103 HydrophobicContact CE1-CB 4.28Å; F99-A103 HydrophobicContact CE2-CB 4.4Å; F99-A103 HydrophobicContact CZ-CB 4.12Å; F99-A103 WeakPolarHBondContact O-CB 3.27Å; F99-A103 PolarHBondContact O-N 3.32Å; G100-A103 PolarHBondContact O-N 2.81Å; A103-K105 PolarHBondContact O-N 2.99Å; A103-L106 PolarHBondContact O-N 3.03Å; A103-V107 WeakPolarHBondContact O-CB 3.49Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 2.91Å
104K89.8Confident86.9Confident102 Ų10261.4 Ų61.444%0.44328%0.283SS..Hα-helixtrans-56.9-45.2176.7-77.1175.5-178.9-177.80112.6G100 Y102 L108G100-K104 WeakPolarHBondContact O-CB 3.37Å; G100-K104 VanDerWaalsContact O-CG 3.26Å; G100-K104 WeakPolarHBondContact O-CG 3.3Å; G100-K104 PolarHBondContact O-N 3.44Å; Y102-K104 PolarHBondContact O-N 3.21Å; K104-L108 VanDerWaalsContact O-CB 3.31Å; K104-L108 WeakPolarHBondContact O-CB 3.24Å; K104-L108 PolarHBondContact O-N 3.35Å
105K88.1Confident87.9Confident135 Ų13558.8 Ų58.859%0.58728%0.275SS*.Hα-helixtrans-64.8-41.9177.5-70.9176.1-177.6175.60111.3Q101 Y102 A103 K109Q101-K105 WeakPolarHBondContact O-CG 3.42Å; Q101-K105 PolarHBondContact O-N 3.29Å; Y102-K105 PolarHBondContact O-N 3.21Å; A103-K105 PolarHBondContact O-N 2.99Å; K105-K109 VanDerWaalsContact O-CB 3.3Å; K105-K109 WeakPolarHBondContact O-CB 3.5Å; K105-K109 PolarHBondContact O-N 2.73Å
106L87.7Confident88.5Confident41 Ų4150 Ų5022%0.21525%0.247CC..Hα-helixtrans-65.3-48.7179.3-177.761.7000111.7Y102 A103 L108 K109 V110 V217Y102-L106 HydrophobicContact CE1-CD2 4.3Å; Y102-L106 PolarHBondContact O-N 3.09Å; A103-L106 PolarHBondContact O-N 3.03Å; L106-L108 PolarHBondContact O-N 3.35Å; L106-K109 WeakPolarHBondContact O-CB 3.03Å; L106-K109 PolarHBondContact O-N 3.42Å; L106-V110 HydrophobicContact CD1-CG2 3.79Å; L106-V110 HydrophobicContact CG-CG2 4.41Å; L106-V110 WeakPolarHBondContact O-CB 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.39Å; L106-V110 PolarHBondContact O-N 2.8Å; L106-V217 HydrophobicContact CD1-CB 4.23Å; L106-V217 HydrophobicContact CD1-CG1 3.82Å; L106-V217 HydrophobicContact CD1-CG2 4.07Å
107V92.1Very high88.7Confident25 Ų2555.8 Ų55.815%0.15227%0.274CS..Hα-helixtrans-63.1-43.4-179.6166.60000111.4A103 K109 V110 F111 G112 Y113 M278A103-V107 WeakPolarHBondContact O-CB 3.49Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 2.91Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 2.96Å; V107-V110 PolarHBondContact O-N 3.34Å; V107-F111 HydrophobicContact CG1-CD2 4.39Å; V107-F111 PolarHBondContact O-N 3.34Å; V107-G112 PolarHBondContact O-N 3.43Å; V107-Y113 HydrophobicContact CG1-CD1 3.65Å; V107-Y113 HydrophobicContact CG1-CG 4.22Å; V107-M278 HydrophobicContact CB-SD 4.3Å; V107-M278 HydrophobicContact CG1-CG 4.47Å; V107-M278 HydrophobicContact CG1-SD 3.4Å; V107-M278 WeakPolarHBondContact CG1-SD 3.41Å; V107-M278 HydrophobicContact CG2-SD 3.84Å
108L93.4Very high88.8Confident84 Ų8456.7 Ų56.744%0.4429%0.285SS..Hα-helixtrans-59.9-43.3174.5177.362.9000111.7K104 L106 G112 Y113 R114K104-L108 VanDerWaalsContact O-CB 3.31Å; K104-L108 WeakPolarHBondContact O-CB 3.24Å; K104-L108 PolarHBondContact O-N 3.35Å; L106-L108 PolarHBondContact O-N 3.35Å; L108-G112 WeakPolarHBondContact O-CA 3.33Å; L108-G112 PolarHBondContact O-N 3.32Å; L108-Y113 WeakPolarHBondContact CA-O 3.31Å; L108-Y113 PolarHBondContact N-O 2.89Å; L108-R114 HydrophobicContact CD1-CB 4.3Å
109K90.4Very high88.9Confident61 Ų6154.8 Ų54.827%0.26528%0.275SS..Hα-helixtrans-65.9-48179.5177.3-174.7167.2-168.10111.8K105 L106 V107 F216 V217 S219K105-K109 VanDerWaalsContact O-CB 3.3Å; K105-K109 WeakPolarHBondContact O-CB 3.5Å; K105-K109 PolarHBondContact O-N 2.73Å; L106-K109 WeakPolarHBondContact O-CB 3.03Å; L106-K109 PolarHBondContact O-N 3.42Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 2.96Å; K109-F216 WeakPolarHBondContact CE-O 3.45Å; K109-F216 HydrophobicContact CG-CE2 4.2Å; K109-F216 PolarHBondContact NZ-O 2.81Å; K109-F216 WeakPolarHBondContact O-CZ 3.36Å; K109-V217 PolarHBondContact NZ-O 3.39Å; K109-S219 WeakPolarHBondContact CE-OG 3.43Å; K109-S219 PolarHBondContact NZ-OG 3.18Å
110V91.8Very high89Confident0 Ų056.5 Ų56.50%028%0.283CS..Hα-helixtrans-86.9-36.1-167.6177.20000113.2L106 V107 F209 F213 F216 V217 Q233L106-V110 HydrophobicContact CD1-CG2 3.79Å; L106-V110 HydrophobicContact CG-CG2 4.41Å; L106-V110 WeakPolarHBondContact O-CB 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.39Å; L106-V110 PolarHBondContact O-N 2.8Å; V107-V110 PolarHBondContact O-N 3.34Å; V110-F209 HydrophobicContact CG1-CZ 3.91Å; V110-F213 HydrophobicContact CG1-CD2 3.79Å; V110-F213 HydrophobicContact CG1-CE2 3.44Å; V110-F213 VanDerWaalsContact CG1-CE2 3.44Å; V110-F213 HydrophobicContact CG1-CZ 4.35Å; V110-F216 HydrophobicContact CB-CD1 4.33Å; V110-F216 HydrophobicContact CB-CE1 4.15Å; V110-F216 HydrophobicContact CG1-CD1 3.89Å; V110-F216 HydrophobicContact CG1-CE1 3.97Å; V110-F216 HydrophobicContact CG2-CD1 4.18Å; V110-F216 HydrophobicContact CG2-CE1 4.3Å; V110-F216 HydrophobicContact CG2-CG 4.47Å; V110-F216 WeakPolarHBondContact O-CE1 3.31Å; V110-V217 HydrophobicContact CG2-CG2 4.48Å; V110-Q233 PolarHBondContact O-NE2 3.44Å
111F93.6Very high89.3Confident9 Ų962.7 Ų62.74%0.03931%0.307CS..Hα-helixtrans-112-6.5-177.4-57.5-74.8000112.4V107 Y113 F209 F213 F277 M278 W281V107-F111 HydrophobicContact CG1-CD2 4.39Å; V107-F111 PolarHBondContact O-N 3.34Å; F111-Y113 PolarHBondContact O-N 3.3Å; F111-Y113 VanDerWaalsContact O-N 3.15Å; F111-F209 HydrophobicContact CE1-CE1 4.11Å; F111-F209 HydrophobicContact CE1-CZ 4.18Å; F111-F213 HydrophobicContact CE2-CE2 4.22Å; F111-F213 AromaticContact CZ-CE2 3.74Å; F111-F213 HydrophobicContact CZ-CE2 3.74Å; F111-F277 AromaticContact CD1-CD1 3.73Å; F111-F277 HydrophobicContact CD1-CD1 3.73Å; F111-F277 AromaticContact CD1-CE1 3.78Å; F111-F277 HydrophobicContact CD1-CE1 3.78Å; F111-F277 HydrophobicContact CD1-CG 4.22Å; F111-F277 HydrophobicContact CD1-CZ 4.33Å; F111-F277 HydrophobicContact CE1-CD1 4.46Å; F111-F277 HydrophobicContact CE1-CE1 4.25Å; F111-F277 HydrophobicContact CE1-CZ 4.36Å; F111-M278 HydrophobicContact CB-CB 4.16Å; F111-M278 HydrophobicContact CD1-CB 4.11Å; F111-M278 HydrophobicContact CD2-CB 3.97Å; F111-M278 HydrophobicContact CD2-CG 3.84Å; F111-M278 HydrophobicContact CE2-CB 4.4Å; F111-M278 HydrophobicContact CE2-CG 4.02Å; F111-M278 HydrophobicContact CG-CB 3.81Å; F111-M278 HydrophobicContact CG-CG 4.21Å; F111-W281 HydrophobicContact CE1-CB 3.73Å; F111-W281 HydrophobicContact CE1-CG 4.12Å; F111-W281 HydrophobicContact CZ-CB 3.89Å; F111-W281 AromaticContact CZ-CD2 3.97Å; F111-W281 HydrophobicContact CZ-CD2 3.97Å; F111-W281 AromaticContact CZ-CE3 3.84Å; F111-W281 HydrophobicContact CZ-CE3 3.84Å; F111-W281 AromaticContact CZ-CG 3.98Å; F111-W281 HydrophobicContact CZ-CG 3.98Å
112G93.3Very high89.8Confident21 Ų2159.7 Ų59.722%0.21629%0.293CS..  trans68.76.7-174.800000113.7V107 L108 K274V107-G112 PolarHBondContact O-N 3.43Å; L108-G112 WeakPolarHBondContact O-CA 3.33Å; L108-G112 PolarHBondContact O-N 3.32Å; G112-K274 WeakPolarHBondContact O-CD 3.46Å; G112-K274 PolarHBondContact O-NZ 3.48Å; G112-K274 VanDerWaalsContact O-NZ 3.11Å
113Y95.4Very high90.2Very high2 Ų259.9 Ų59.91%0.00830%0.296CS..  trans-81.5125.4-177.6176.6-104.3000110.4V107 L108 F111 D119 L262 M271 K274 F275 M278V107-Y113 HydrophobicContact CG1-CD1 3.65Å; V107-Y113 HydrophobicContact CG1-CG 4.22Å; L108-Y113 WeakPolarHBondContact CA-O 3.31Å; L108-Y113 PolarHBondContact N-O 2.89Å; F111-Y113 PolarHBondContact O-N 3.3Å; F111-Y113 VanDerWaalsContact O-N 3.15Å; Y113-D119 WeakPolarHBondContact CE1-OD2 3.35Å; Y113-D119 PolarHBondContact OH-OD2 2.88Å; Y113-L262 VanDerWaalsContact OH-CD2 3.31Å; Y113-L262 WeakPolarHBondContact OH-CD2 3.43Å; Y113-M271 HydrophobicContact CD2-CG 3.86Å; Y113-M271 WeakPolarHBondContact CD2-O 3.4Å; Y113-M271 HydrophobicContact CD2-SD 3.95Å; Y113-M271 HydrophobicContact CE2-CG 3.91Å; Y113-K274 HydrophobicContact CD2-CB 4.41Å; Y113-F275 HydrophobicContact CD2-CB 3.83Å; Y113-F275 HydrophobicContact CD2-CD2 4.4Å; Y113-F275 AromaticContact CE1-CD2 3.94Å; Y113-F275 HydrophobicContact CE1-CD2 3.94Å; Y113-F275 HydrophobicContact CE2-CB 3.65Å; Y113-F275 AromaticContact CE2-CD2 3.82Å; Y113-F275 HydrophobicContact CE2-CD2 3.82Å; Y113-F275 HydrophobicContact CE2-CG 4.19Å; Y113-F275 AromaticContact CZ-CD2 3.54Å; Y113-M278 HydrophobicContact CD1-SD 4.35Å
114R94.8Very high90.4Very high175 Ų17563.9 Ų63.966%0.6631%0.311SS*.  trans-98.2110.4177.2-175.7-179.6-66.2175.5-0.7108.6L108 M271L108-R114 HydrophobicContact CD1-CB 4.3Å; R114-M271 HydrophobicContact CB-CE 4.11Å; R114-M271 HydrophobicContact CB-SD 4.03Å; R114-M271 PolarHBondContact N-SD 3.34Å
115S90Very high90.5Very high37 Ų3762.6 Ų62.626%0.25932%0.315SS..PPolyproline II helixtrans-63.4141.6-179.9-53.90000112.8D119S115-D119 VanDerWaalsContact C-OD2 3.3Å; S115-D119 WeakPolarHBondContact CA-OD2 3.41Å; S115-D119 WeakPolarHBondContact CB-OD2 3.39Å
116V90.9Very high90.8Very high43 Ų4356.2 Ų56.226%0.26129%0.287SS..PPolyproline II helixtrans-98.3173.8170.2-59.50000111.5D119 F261 L262 V267V116-D119 WeakPolarHBondContact CG2-OD1 3.49Å; V116-D119 PolarHBondContact N-OD2 3.44Å; V116-D119 PolarHBondContact O-N 3.45Å; V116-F261 HydrophobicContact CG2-CE1 4.46Å; V116-L262 HydrophobicContact CG2-CD2 4.28Å; V116-V267 HydrophobicContact CG1-CG2 3.82Å; V116-V267 HydrophobicContact CG2-CG2 4.21Å
117Q87.1Confident91Very high176 Ų17654.3 Ų54.382%0.82228%0.277SS*.THydrogen-bonded Turntrans-66.9136177.2-173.3171.32.100109.8D119Q117-D119 VanDerWaalsContact C-N 3.32Å; Q117-D119 PolarHBondContact O-N 3.26Å
118G85.5Confident90.9Very high24 Ų2456.1 Ų56.125%0.24729%0.288CS..THydrogen-bonded Turntrans83.7-6.8-178.600000115.5H120 E121 M122G118-H120 VanDerWaalsContact C-N 3.33Å; G118-H120 PolarHBondContact O-N 3.34Å; G118-E121 PolarHBondContact O-N 2.89Å; G118-E121 VanDerWaalsContact O-N 3.14Å; G118-M122 WeakPolarHBondContact O-CB 3.39Å; G118-M122 PolarHBondContact O-N 3.4Å
119D86.3Confident90.9Very high7 Ų757.9 Ų57.94%0.03729%0.293CS..Hα-helixtrans-52.1-47.4-177.5-86.5-4.3000114.3Y113 S115 V116 Q117 E121 M122 I123Y113-D119 WeakPolarHBondContact CE1-OD2 3.35Å; Y113-D119 PolarHBondContact OH-OD2 2.88Å; S115-D119 VanDerWaalsContact C-OD2 3.3Å; S115-D119 WeakPolarHBondContact CA-OD2 3.41Å; S115-D119 WeakPolarHBondContact CB-OD2 3.39Å; V116-D119 WeakPolarHBondContact CG2-OD1 3.49Å; V116-D119 PolarHBondContact N-OD2 3.44Å; V116-D119 PolarHBondContact O-N 3.45Å; Q117-D119 VanDerWaalsContact C-N 3.32Å; Q117-D119 PolarHBondContact O-N 3.26Å; D119-E121 VanDerWaalsContact C-N 3.35Å; D119-E121 PolarHBondContact O-N 3.32Å; D119-M122 PolarHBondContact O-N 3.15Å; D119-I123 VanDerWaalsContact O-CG1 3.26Å; D119-I123 WeakPolarHBondContact O-CG1 3.27Å; D119-I123 PolarHBondContact O-N 2.85Å
120H85.5Confident91Very high91 Ų9156 Ų5642%0.42129%0.285SS..Hα-helixtrans-65.7-41.6-176.8-175.167.9000111.5G118 H124G118-H120 VanDerWaalsContact C-N 3.33Å; G118-H120 PolarHBondContact O-N 3.34Å; H120-H124 VanDerWaalsContact O-CB 3.29Å; H120-H124 WeakPolarHBondContact O-CB 3.34Å; H120-H124 PolarHBondContact O-N 3.45Å
121E88.3Confident91Very high148 Ų14856.2 Ų56.269%0.69229%0.286SS*.Hα-helixtrans-67-40.5176.9-66.8168.9-175.300110.9G118 D119 H124 S125G118-E121 PolarHBondContact O-N 2.89Å; G118-E121 VanDerWaalsContact O-N 3.14Å; D119-E121 VanDerWaalsContact C-N 3.35Å; D119-E121 PolarHBondContact O-N 3.32Å; E121-H124 PolarHBondContact O-N 3.05Å; E121-S125 WeakPolarHBondContact O-CB 3.36Å; E121-S125 PolarHBondContact O-N 3.36Å
122M93.2Very high90.6Very high17 Ų1762.2 Ų62.28%0.08431%0.308CS..Hα-helixtrans-61.5-51.4175.3172.5-83.7-70.700111.4G118 D119 H124 S125 A126 M258 F261 L262 F275G118-M122 WeakPolarHBondContact O-CB 3.39Å; G118-M122 PolarHBondContact O-N 3.4Å; D119-M122 PolarHBondContact O-N 3.15Å; M122-H124 VanDerWaalsContact C-N 3.29Å; M122-H124 PolarHBondContact O-N 3.33Å; M122-S125 PolarHBondContact O-N 2.99Å; M122-A126 WeakPolarHBondContact O-CB 3.32Å; M122-A126 PolarHBondContact O-N 3.03Å; M122-M258 HydrophobicContact CE-CB 4.27Å; M122-M258 HydrophobicContact SD-CB 3.58Å; M122-M258 VanDerWaalsContact SD-CB 3.58Å; M122-M258 HydrophobicContact SD-CG 3.43Å; M122-M258 WeakPolarHBondContact SD-CG 3.45Å; M122-M258 HydrophobicContact SD-SD 4.22Å; M122-F261 HydrophobicContact CB-CD1 4.05Å; M122-F261 HydrophobicContact CB-CD2 4.39Å; M122-F261 HydrophobicContact CB-CE1 4.04Å; M122-F261 HydrophobicContact CB-CE2 4.39Å; M122-F261 HydrophobicContact CB-CG 4.22Å; M122-F261 HydrophobicContact CB-CZ 4.22Å; M122-F261 HydrophobicContact CE-CD1 3.83Å; M122-F261 HydrophobicContact CE-CE1 4.33Å; M122-F261 HydrophobicContact CG-CB 3.81Å; M122-F261 HydrophobicContact CG-CD1 3.59Å; M122-F261 HydrophobicContact CG-CD2 4.05Å; M122-F261 HydrophobicContact CG-CE1 4.11Å; M122-F261 HydrophobicContact CG-CG 3.54Å; M122-F261 HydrophobicContact SD-CD1 4.41Å; M122-L262 HydrophobicContact CE-CD2 4.24Å; M122-L262 HydrophobicContact CE-CG 4.4Å; M122-F275 HydrophobicContact CE-CE2 4.27Å; M122-F275 HydrophobicContact CE-CZ 4.15Å
123I91.7Very high90.1Very high38 Ų3864 Ų6420%0.19533%0.326CS..Hα-helixtrans-60.2-44.1179-67.9165.9000109.8D119 S127 M258 F275 M278D119-I123 VanDerWaalsContact O-CG1 3.26Å; D119-I123 WeakPolarHBondContact O-CG1 3.27Å; D119-I123 PolarHBondContact O-N 2.85Å; I123-S127 WeakPolarHBondContact O-CB 3.37Å; I123-S127 PolarHBondContact O-N 3.32Å; I123-S127 PolarHBondContact O-OG 3.04Å; I123-M258 HydrophobicContact CB-SD 4.49Å; I123-M258 HydrophobicContact CG1-SD 4.12Å; I123-M258 HydrophobicContact CG2-SD 4.47Å; I123-F275 HydrophobicContact CD1-CE2 4.05Å; I123-F275 HydrophobicContact CD1-CZ 4.47Å; I123-F275 HydrophobicContact CG1-CE2 4.27Å; I123-F275 HydrophobicContact CG1-CZ 4.26Å; I123-M278 HydrophobicContact CD1-CE 4.29Å
124H89.4Confident89.4Confident106 Ų10669.6 Ų69.649%0.49136%0.356SS..Hα-helixtrans-63.3-43.7178.2-177.3-82.7000112H120 E121 M122 T128H120-H124 VanDerWaalsContact O-CB 3.29Å; H120-H124 WeakPolarHBondContact O-CB 3.34Å; H120-H124 PolarHBondContact O-N 3.45Å; E121-H124 PolarHBondContact O-N 3.05Å; M122-H124 VanDerWaalsContact C-N 3.29Å; M122-H124 PolarHBondContact O-N 3.33Å; H124-T128 PolarHBondContact CE1-OG1 2.7Å; H124-T128 WeakPolarHBondContact O-CB 3.38Å; H124-T128 PolarHBondContact O-N 2.83Å; H124-T128 PolarHBondContact O-OG1 3.41Å
125S91.7Very high88.9Confident74 Ų7462.4 Ų62.452%0.51734%0.337SS..Hα-helixtrans-64.9-51.9179.1-176.30000111.6E121 M122 S127 T128 K129E121-S125 WeakPolarHBondContact O-CB 3.36Å; E121-S125 PolarHBondContact O-N 3.36Å; M122-S125 PolarHBondContact O-N 2.99Å; S125-S127 VanDerWaalsContact C-N 3.29Å; S125-S127 PolarHBondContact O-N 2.68Å; S125-T128 PolarHBondContact O-N 2.69Å; S125-T128 VanDerWaalsContact O-N 3.16Å; S125-K129 WeakPolarHBondContact O-CB 3.39Å; S125-K129 PolarHBondContact O-N 2.68Å
126A93.8Very high88.7Confident1 Ų161.3 Ų61.31%0.00833%0.328CS..Hα-helixtrans-58.5-42.5177.300000111.3M122 K129 H130 M258M122-A126 WeakPolarHBondContact O-CB 3.32Å; M122-A126 PolarHBondContact O-N 3.03Å; A126-K129 PolarHBondContact O-N 2.87Å; A126-H130 WeakPolarHBondContact O-CB 3.49Å; A126-H130 PolarHBondContact O-CD2 2.87Å; A126-H130 PolarHBondContact O-N 3.18Å; A126-M258 HydrophobicContact CB-CG 3.58Å; A126-M258 HydrophobicContact CB-SD 4.32Å
127S93.1Very high88.4Confident1 Ų163.8 Ų63.81%0.00734%0.335CS..Hα-helixtrans-69.3-37.8177.3-53.30000112.7I123 S125 K129 L131 W254I123-S127 WeakPolarHBondContact O-CB 3.37Å; I123-S127 PolarHBondContact O-N 3.32Å; I123-S127 PolarHBondContact O-OG 3.04Å; S125-S127 VanDerWaalsContact C-N 3.29Å; S125-S127 PolarHBondContact O-N 2.68Å; S127-K129 VanDerWaalsContact C-N 3.26Å; S127-K129 PolarHBondContact O-N 2.68Å; S127-L131 WeakPolarHBondContact O-CA 3.23Å; S127-L131 VanDerWaalsContact O-CB 3.25Å; S127-L131 WeakPolarHBondContact O-CB 3.29Å; S127-L131 PolarHBondContact O-N 2.67Å; S127-W254 PolarHBondContact OG-NE1 3.49Å
128T89.9Confident88.4Confident63 Ų6359.6 Ų59.639%0.38732%0.318SS..Hα-helixtrans-64-36174.7-61.10000111.2H124 S125H124-T128 PolarHBondContact CE1-OG1 2.7Å; H124-T128 WeakPolarHBondContact O-CB 3.38Å; H124-T128 PolarHBondContact O-N 2.83Å; H124-T128 PolarHBondContact O-OG1 3.41Å; S125-T128 PolarHBondContact O-N 2.69Å; S125-T128 VanDerWaalsContact O-N 3.16Å
129K93.3Very high88.5Confident121 Ų12159 Ų5953%0.52631%0.31SS..Hα-helixtrans-73.1-43.5179-177.4179173.1-166.80112.7S125 A126 S127 G135S125-K129 WeakPolarHBondContact O-CB 3.39Å; S125-K129 PolarHBondContact O-N 2.68Å; A126-K129 PolarHBondContact O-N 2.87Å; S127-K129 VanDerWaalsContact C-N 3.26Å; S127-K129 PolarHBondContact O-N 2.68Å; K129-G135 WeakPolarHBondContact O-CA 3.43Å
130H93.5Very high88.5Confident21 Ų2159 Ų5910%0.09731%0.31CS..Hα-helixtrans-109.8-13.4-167.8-65.8-68.3000114.9A126 G135 L136 W254A126-H130 WeakPolarHBondContact O-CB 3.49Å; A126-H130 PolarHBondContact O-CD2 2.87Å; A126-H130 PolarHBondContact O-N 3.18Å; H130-G135 CarbonylContact C-O 3.55Å; H130-G135 CarbonylContact O-C 3.49Å; H130-L136 WeakPolarHBondContact O-CA 3.35Å; H130-W254 HydrophobicContact CB-CB 3.72Å; H130-W254 HydrophobicContact CB-CG 4.35Å
131L90.8Very high88.5Confident5 Ų560.1 Ų60.13%0.02632%0.315CS..SBendtrans-114.519.5-179.9-51.9-178.4000112.4S127 L139 W254 F445S127-L131 WeakPolarHBondContact O-CA 3.23Å; S127-L131 VanDerWaalsContact O-CB 3.25Å; S127-L131 WeakPolarHBondContact O-CB 3.29Å; S127-L131 PolarHBondContact O-N 2.67Å; L131-L139 HydrophobicContact CD2-CD2 3.4Å; L131-W254 HydrophobicContact CD1-CD2 4.26Å; L131-W254 HydrophobicContact CD1-CG 4.42Å; L131-W254 HydrophobicContact CD1-CZ2 3.99Å; L131-W254 HydrophobicContact CD2-CB 4.47Å; L131-W254 HydrophobicContact CD2-CD2 4.41Å; L131-W254 HydrophobicContact CD2-CG 4.17Å; L131-W254 HydrophobicContact CG-CG 4.24Å; L131-F445 HydrophobicContact CD2-CB 4.26Å; L131-F445 HydrophobicContact CD2-CG 4.46Å
132R85.8Confident88.5Confident136 Ų13655.5 Ų55.551%0.51330%0.297SS..SBendtrans-149.8148.3179.6-168.9178.7-178.6-168-3.6111.4G135 F444R132-G135 PolarHBondContact O-N 3.13Å; R132-F444 HydrophobicContact CB-CD2 4.09Å; R132-F444 HydrophobicContact CB-CE2 4.3Å; R132-F444 HydrophobicContact CG-CD2 3.89Å; R132-F444 HydrophobicContact CG-CE2 3.72Å; R132-F444 HydrophobicContact CG-CZ 4.33Å
133G82.7Confident88.2Confident57 Ų5754.7 Ų54.759%0.58829%0.293SS*.G310 helixtrans59.6-138.8172.600000111.6G135 L136G133-G135 VanDerWaalsContact C-N 3.29Å; G133-G135 PolarHBondContact O-N 2.86Å; G133-L136 WeakPolarHBondContact O-CB 3.37Å; G133-L136 PolarHBondContact O-N 3.34Å
134D81.3Confident87.8Confident120 Ų12053.6 Ų53.664%0.64229%0.287SS*.G310 helixtrans-64.5-31-178.1-68.2-42.8000113.6L136 K137D134-L136 PolarHBondContact O-N 3.12Å; D134-K137 WeakPolarHBondContact O-CB 3.35Å; D134-K137 WeakPolarHBondContact O-CG 3.27Å; D134-K137 PolarHBondContact O-N 2.59Å; D134-K137 WeakPolarHBondContact OD1-CE 3.01Å; D134-K137 IonicContact OD1-NZ 3.68Å; D134-K137 PolarHBondContact OD1-NZ 2.93Å
135G82.4Confident87.5Confident24 Ų2453.3 Ų53.325%0.24729%0.289CS..G310 helixtrans-71.9-10.9-179.200000114.6K129 H130 R132 G133K129-G135 WeakPolarHBondContact O-CA 3.43Å; H130-G135 CarbonylContact C-O 3.55Å; H130-G135 CarbonylContact O-C 3.49Å; R132-G135 PolarHBondContact O-N 3.13Å; G133-G135 VanDerWaalsContact C-N 3.29Å; G133-G135 PolarHBondContact O-N 2.86Å
136L86.2Confident87.3Confident14 Ų1449.9 Ų49.97%0.07327%0.265CS..G310 helixtrans-80.8-21.8174.5-178.160.8000112.8H130 G133 D134 D138 L139 N140 F444 F445H130-L136 WeakPolarHBondContact O-CA 3.35Å; G133-L136 WeakPolarHBondContact O-CB 3.37Å; G133-L136 PolarHBondContact O-N 3.34Å; D134-L136 PolarHBondContact O-N 3.12Å; L136-D138 PolarHBondContact O-N 3.2Å; L136-L139 PolarHBondContact O-N 3.09Å; L136-N140 WeakPolarHBondContact O-CB 3.29Å; L136-N140 PolarHBondContact O-N 2.93Å; L136-F444 HydrophobicContact CD2-CB 3.88Å; L136-F445 HydrophobicContact CD1-CB 3.66Å; L136-F445 HydrophobicContact CD1-CD2 3.77Å; L136-F445 HydrophobicContact CD1-CG 4.09Å
137K85.1Confident86.8Confident95 Ų9549.8 Ų49.841%0.41327%0.265SS..Hα-helixtrans-57.2-52.2-172.5-71.1172.8172.2167.20112.1D134 L139 N140 E141 L331D134-K137 WeakPolarHBondContact O-CB 3.35Å; D134-K137 WeakPolarHBondContact O-CG 3.27Å; D134-K137 PolarHBondContact O-N 2.59Å; D134-K137 WeakPolarHBondContact OD1-CE 3.01Å; D134-K137 IonicContact OD1-NZ 3.68Å; D134-K137 PolarHBondContact OD1-NZ 2.93Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 3Å; K137-N140 WeakPolarHBondContact O-CB 3.24Å; K137-N140 PolarHBondContact O-N 3.22Å; K137-N140 VanDerWaalsContact O-N 3.12Å; K137-E141 WeakPolarHBondContact O-CG 2.98Å; K137-E141 PolarHBondContact O-N 2.78Å; K137-L331 HydrophobicContact CB-CD2 4.5Å; K137-L331 HydrophobicContact CG-CD2 4.4Å
138D86.4Confident86.1Confident89 Ų8949.9 Ų49.948%0.47627%0.265SS..Hα-helixtrans-57.2-42.4-179.5-55.1-6.9000112.1L136 T142L136-D138 PolarHBondContact O-N 3.2Å; D138-T142 WeakPolarHBondContact O-CB 3.48Å; D138-T142 PolarHBondContact O-N 2.73Å; D138-T142 PolarHBondContact O-OG1 3.45Å
139L89Confident85.8Confident12 Ų1249 Ų496%0.06326%0.256CS..Hα-helixtrans-71.7-37.4-179.8-176.662.2000111.3L131 L136 K137 T142 M143 L185 F445L131-L139 HydrophobicContact CD2-CD2 3.4Å; L136-L139 PolarHBondContact O-N 3.09Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 3Å; L139-T142 PolarHBondContact O-N 2.87Å; L139-M143 VanDerWaalsContact O-CB 3.24Å; L139-M143 WeakPolarHBondContact O-CB 3.29Å; L139-M143 PolarHBondContact O-N 2.89Å; L139-L185 HydrophobicContact CD1-CD2 3.89Å; L139-L185 HydrophobicContact CD2-CD2 4.04Å; L139-F445 HydrophobicContact CD1-CE2 4.43Å; L139-F445 HydrophobicContact CD1-CZ 4.24Å; L139-F445 HydrophobicContact CD2-CD1 4.01Å; L139-F445 HydrophobicContact CD2-CD2 3.79Å; L139-F445 HydrophobicContact CD2-CE1 3.94Å; L139-F445 HydrophobicContact CD2-CE2 3.74Å; L139-F445 HydrophobicContact CD2-CG 3.93Å; L139-F445 HydrophobicContact CD2-CZ 3.81Å; L139-F445 HydrophobicContact CG-CD2 4Å; L139-F445 HydrophobicContact CG-CE1 4.4Å; L139-F445 HydrophobicContact CG-CE2 3.55Å; L139-F445 HydrophobicContact CG-CZ 3.77Å
140N85.8Confident85.4Confident7 Ų743.2 Ų43.24%0.03723%0.231CC..Hα-helixtrans-64.3-42.8175.2-86.43.5000112L136 K137 M143 L144 L331 F445 S448 F452L136-N140 WeakPolarHBondContact O-CB 3.29Å; L136-N140 PolarHBondContact O-N 2.93Å; K137-N140 WeakPolarHBondContact O-CB 3.24Å; K137-N140 PolarHBondContact O-N 3.22Å; K137-N140 VanDerWaalsContact O-N 3.12Å; N140-M143 PolarHBondContact O-N 3.36Å; N140-L144 WeakPolarHBondContact O-CB 3.03Å; N140-L144 PolarHBondContact O-N 2.97Å; N140-L331 HydrophobicContact CB-CD1 3.89Å; N140-L331 HydrophobicContact CB-CD2 3.53Å; N140-L331 HydrophobicContact CB-CG 4.37Å; N140-F445 WeakPolarHBondContact OD1-CD2 3.38Å; N140-S448 WeakPolarHBondContact ND2-CB 3.25Å; N140-S448 PolarHBondContact ND2-OG 2.81Å; N140-S448 WeakPolarHBondContact OD1-CB 3.46Å; N140-F452 HydrophobicContact CB-CE2 4.12Å; N140-F452 HydrophobicContact CB-CZ 3.97Å
141E84.8Confident84.6Confident114 Ų11443.3 Ų43.353%0.53323%0.232SC..Hα-helixtrans-61.4-49.1173.9-71.3174.9-177.800110.9K137 M143 L144 D145K137-E141 WeakPolarHBondContact O-CG 2.98Å; K137-E141 PolarHBondContact O-N 2.78Å; E141-M143 VanDerWaalsContact C-N 3.29Å; E141-M143 PolarHBondContact O-N 2.9Å; E141-L144 PolarHBondContact O-N 3.22Å; E141-L144 VanDerWaalsContact O-N 3.16Å; E141-D145 PolarHBondContact O-N 3.36Å
142T89.1Confident83.7Confident50 Ų5044.9 Ų44.931%0.30724%0.24SC..Hα-helixtrans-60.2-38.8177.5-53.70000112.2D138 L139 S146D138-T142 WeakPolarHBondContact O-CB 3.48Å; D138-T142 PolarHBondContact O-N 2.73Å; D138-T142 PolarHBondContact O-OG1 3.45Å; L139-T142 PolarHBondContact O-N 2.87Å; T142-S146 WeakPolarHBondContact O-CB 3.41Å; T142-S146 PolarHBondContact O-N 2.96Å; T142-S146 PolarHBondContact O-OG 3.32Å
143M87.2Confident83Confident0 Ų044 Ų440%024%0.24CC..Hα-helixtrans-66.7-42.7176.7-178.159.9-176.100111.6L139 N140 E141 S146 L147 L177 A180 F445 E449 F452L139-M143 VanDerWaalsContact O-CB 3.24Å; L139-M143 WeakPolarHBondContact O-CB 3.29Å; L139-M143 PolarHBondContact O-N 2.89Å; N140-M143 PolarHBondContact O-N 3.36Å; E141-M143 VanDerWaalsContact C-N 3.29Å; E141-M143 PolarHBondContact O-N 2.9Å; M143-S146 PolarHBondContact O-N 2.88Å; M143-L147 VanDerWaalsContact O-CB 3.29Å; M143-L147 WeakPolarHBondContact O-CB 3.1Å; M143-L147 PolarHBondContact O-N 3.49Å; M143-L177 HydrophobicContact CE-CD2 4.02Å; M143-A180 HydrophobicContact CE-CB 3.66Å; M143-A180 VanDerWaalsContact SD-C 3.58Å; M143-A180 HydrophobicContact SD-CB 3.97Å; M143-F445 HydrophobicContact CB-CE2 3.94Å; M143-F445 HydrophobicContact CB-CZ 4.14Å; M143-F445 HydrophobicContact CG-CE2 4.14Å; M143-F445 HydrophobicContact CG-CZ 4.11Å; M143-F445 HydrophobicContact SD-CZ 4.38Å; M143-E449 HydrophobicContact CE-CB 4.43Å; M143-E449 HydrophobicContact CE-CG 4.01Å; M143-E449 HydrophobicContact CG-CG 4.12Å; M143-F452 HydrophobicContact CG-CD2 4.31Å
144L82.1Confident82.1Confident16 Ų1642 Ų428%0.08422%0.217CC..Hα-helixtrans-64.8-41.4177.8-177.660.9000111.9N140 E141 S146 L147 S148 F329 F452 V456N140-L144 WeakPolarHBondContact O-CB 3.03Å; N140-L144 PolarHBondContact O-N 2.97Å; E141-L144 PolarHBondContact O-N 3.22Å; E141-L144 VanDerWaalsContact O-N 3.16Å; L144-S146 VanDerWaalsContact C-N 3.34Å; L144-L147 PolarHBondContact O-N 3.49Å; L144-S148 WeakPolarHBondContact O-CB 3.44Å; L144-S148 PolarHBondContact O-N 3.32Å; L144-S148 PolarHBondContact O-OG 3.26Å; L144-F329 HydrophobicContact CD1-CE1 3.66Å; L144-F329 HydrophobicContact CD1-CZ 3.58Å; L144-F329 HydrophobicContact CD2-CD1 4.42Å; L144-F329 HydrophobicContact CD2-CE1 3.95Å; L144-F329 HydrophobicContact CD2-CE2 4.13Å; L144-F329 HydrophobicContact CD2-CZ 3.78Å; L144-F329 HydrophobicContact CG-CE1 4.45Å; L144-F329 HydrophobicContact CG-CZ 4.35Å; L144-F452 HydrophobicContact CD1-CD1 4.19Å; L144-V456 HydrophobicContact CD1-CG2 4.42Å
145D83.4Confident80.7Confident100 Ų10045.7 Ų45.754%0.53523%0.227SC..Hα-helixtrans-61.7-44.3173.6-76.3-14000111.2E141 S148 F149E141-D145 PolarHBondContact O-N 3.36Å; D145-S148 PolarHBondContact O-N 3.21Å; D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.35Å; D145-F149 PolarHBondContact O-N 2.96Å
146S88.1Confident79.2Confident1 Ų146.3 Ų46.31%0.00723%0.234CC..Hα-helixtrans-65-41.5178.2-57.60000111.7T142 M143 L144 F149 V150 A180 Y188T142-S146 WeakPolarHBondContact O-CB 3.41Å; T142-S146 PolarHBondContact O-N 2.96Å; T142-S146 PolarHBondContact O-OG 3.32Å; M143-S146 PolarHBondContact O-N 2.88Å; L144-S146 VanDerWaalsContact C-N 3.34Å; S146-F149 PolarHBondContact O-N 3.4Å; S146-V150 WeakPolarHBondContact O-CB 3.43Å; S146-V150 VanDerWaalsContact O-CG2 3.24Å; S146-V150 WeakPolarHBondContact O-CG2 3.06Å; S146-V150 PolarHBondContact O-N 3.16Å; S146-A180 WeakPolarHBondContact CB-O 3.5Å; S146-Y188 WeakPolarHBondContact CB-OH 3.18Å; S146-Y188 PolarHBondContact OG-OH 2.83Å
147L83.4Confident77.6Confident0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-64-46.8176.7-174.367.9000111M143 L144 F149 V150 M151 V176 A180 F452 V456M143-L147 VanDerWaalsContact O-CB 3.29Å; M143-L147 WeakPolarHBondContact O-CB 3.1Å; M143-L147 PolarHBondContact O-N 3.49Å; L144-L147 PolarHBondContact O-N 3.49Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.21Å; L147-V150 PolarHBondContact O-N 3.12Å; L147-M151 HydrophobicContact CD1-CG 4.44Å; L147-M151 HydrophobicContact CD1-SD 4.09Å; L147-M151 HydrophobicContact CG-SD 4Å; L147-M151 WeakPolarHBondContact O-CB 3.43Å; L147-M151 VanDerWaalsContact O-CG 3.3Å; L147-M151 WeakPolarHBondContact O-CG 3.46Å; L147-M151 PolarHBondContact O-N 3.32Å; L147-V176 HydrophobicContact CD1-CG1 3.38Å; L147-A180 HydrophobicContact CB-CB 4.16Å; L147-A180 HydrophobicContact CD1-CB 4.14Å; L147-F452 HydrophobicContact CD2-CB 3.73Å; L147-V456 HydrophobicContact CD2-CB 4.35Å; L147-V456 HydrophobicContact CD2-CG2 3.97Å
148S78.4Confident76Confident2 Ų247.3 Ų47.31%0.01424%0.244CC..Hα-helixtrans-57.1-46.5174.6-58.30000111L144 D145 M151 L152 F327L144-S148 WeakPolarHBondContact O-CB 3.44Å; L144-S148 PolarHBondContact O-N 3.32Å; L144-S148 PolarHBondContact O-OG 3.26Å; D145-S148 PolarHBondContact O-N 3.21Å; S148-M151 PolarHBondContact O-N 3.1Å; S148-L152 VanDerWaalsContact O-CB 3.3Å; S148-L152 WeakPolarHBondContact O-CB 3.46Å; S148-L152 VanDerWaalsContact O-CG 3.22Å; S148-L152 WeakPolarHBondContact O-CG 3.06Å; S148-L152 PolarHBondContact O-N 3.48Å; S148-F327 WeakPolarHBondContact OG-CD2 3.33Å; S148-F327 PolarHBondContact OG-N 2.95Å
149F82.6Confident74.2Confident44 Ų4447.4 Ų47.419%0.19325%0.245CC..Hα-helixtrans-61.5-49.7179.1178.4-112.2000111.9D145 S146 L147 M151 L152 K153 Y188 K192 L196D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.35Å; D145-F149 PolarHBondContact O-N 2.96Å; S146-F149 PolarHBondContact O-N 3.4Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.21Å; F149-M151 PolarHBondContact O-N 3.47Å; F149-L152 PolarHBondContact O-N 2.83Å; F149-K153 HydrophobicContact CD2-CB 4.41Å; F149-K153 HydrophobicContact CD2-CG 3.84Å; F149-K153 HydrophobicContact CE2-CB 4.22Å; F149-K153 HydrophobicContact CE2-CG 3.74Å; F149-K153 VanDerWaalsContact O-CB 3.23Å; F149-K153 WeakPolarHBondContact O-CB 3.47Å; F149-K153 PolarHBondContact O-N 3.49Å; F149-Y188 HydrophobicContact CD1-CE1 4.38Å; F149-Y188 HydrophobicContact CE1-CE1 4.4Å; F149-K192 HydrophobicContact CE1-CB 4.2Å; F149-K192 HydrophobicContact CZ-CB 3.81Å; F149-L196 HydrophobicContact CE1-CB 4.07Å; F149-L196 HydrophobicContact CE1-CD2 4.06Å; F149-L196 HydrophobicContact CZ-CD2 4.47Å
150V84.3Confident72.4Confident0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-58.8-47.9177.6169.80000110.9S146 L147 L152 S154 V176 T179 A180 L183 L196S146-V150 WeakPolarHBondContact O-CB 3.43Å; S146-V150 VanDerWaalsContact O-CG2 3.24Å; S146-V150 WeakPolarHBondContact O-CG2 3.06Å; S146-V150 PolarHBondContact O-N 3.16Å; L147-V150 PolarHBondContact O-N 3.12Å; V150-L152 PolarHBondContact O-N 2.95Å; V150-S154 WeakPolarHBondContact O-CB 3.26Å; V150-S154 PolarHBondContact O-N 3.19Å; V150-V176 HydrophobicContact CG1-CB 4.49Å; V150-V176 HydrophobicContact CG1-CG1 4.28Å; V150-V176 HydrophobicContact CG1-CG2 4.4Å; V150-T179 WeakPolarHBondContact CG1-OG1 3.23Å; V150-A180 HydrophobicContact CG2-CB 4.23Å; V150-L183 HydrophobicContact CG2-CD1 4.32Å; V150-L196 HydrophobicContact CB-CD1 4.49Å; V150-L196 HydrophobicContact CG2-CD1 3.74Å
151M77.3Confident71Confident23 Ų2354.2 Ų54.211%0.11329%0.287CS..Hα-helixtrans-70.2-29.9-176.3-68.4-17774.800113.4L147 S148 F149 W157 V176 V456 D457L147-M151 HydrophobicContact CD1-CG 4.44Å; L147-M151 HydrophobicContact CD1-SD 4.09Å; L147-M151 HydrophobicContact CG-SD 4Å; L147-M151 WeakPolarHBondContact O-CB 3.43Å; L147-M151 VanDerWaalsContact O-CG 3.3Å; L147-M151 WeakPolarHBondContact O-CG 3.46Å; L147-M151 PolarHBondContact O-N 3.32Å; S148-M151 PolarHBondContact O-N 3.1Å; F149-M151 PolarHBondContact O-N 3.47Å; M151-W157 WeakPolarHBondContact O-CB 3.46Å; M151-V176 HydrophobicContact CG-CG1 3.89Å; M151-V176 HydrophobicContact SD-CG1 4.3Å; M151-V456 HydrophobicContact CE-CG1 3.65Å; M151-V456 HydrophobicContact SD-CB 4.16Å; M151-V456 HydrophobicContact SD-CG1 3.33Å; M151-V456 WeakPolarHBondContact SD-CG1 3.32Å; M151-D457 WeakPolarHBondContact CE-OD1 3.03Å
152L73.1Confident69.8Low38 Ų3854.9 Ų54.920%0.19931%0.305CS..Hα-helixtrans-90.7-18.6179.5-65.3174.3000114.1S148 F149 V150 L159S148-L152 VanDerWaalsContact O-CB 3.3Å; S148-L152 WeakPolarHBondContact O-CB 3.46Å; S148-L152 VanDerWaalsContact O-CG 3.22Å; S148-L152 WeakPolarHBondContact O-CG 3.06Å; S148-L152 PolarHBondContact O-N 3.48Å; F149-L152 PolarHBondContact O-N 2.83Å; V150-L152 PolarHBondContact O-N 2.95Å; L152-L159 HydrophobicContact CD2-CD1 3.87Å; L152-L159 HydrophobicContact CD2-CD2 4.33Å; L152-L159 HydrophobicContact CD2-CG 3.92Å
153K71.2Confident68.6Low118 Ų11856.3 Ų56.351%0.51332%0.316SS..Hα-helixtrans-118.6-9.8-174.3-64.6-69.8-169.9165.10114.6F149 K155 L196F149-K153 HydrophobicContact CD2-CB 4.41Å; F149-K153 HydrophobicContact CD2-CG 3.84Å; F149-K153 HydrophobicContact CE2-CB 4.22Å; F149-K153 HydrophobicContact CE2-CG 3.74Å; F149-K153 VanDerWaalsContact O-CB 3.23Å; F149-K153 WeakPolarHBondContact O-CB 3.47Å; F149-K153 PolarHBondContact O-N 3.49Å; K153-K155 PolarHBondContact O-N 3.42Å; K153-L196 HydrophobicContact CB-CD2 4.19Å
154S62.2Low67.9Low16 Ų1664.1 Ų64.111%0.11235%0.345CS..SBendtrans-49.9131.4167.8167.70000110.2V150 G156 W157V150-S154 WeakPolarHBondContact O-CB 3.26Å; V150-S154 PolarHBondContact O-N 3.19Å; S154-G156 PolarHBondContact O-N 2.91Å; S154-W157 PolarHBondContact O-N 2.71Å
155K52.3Low67.4Low196 Ų19667.9 Ų67.985%0.85236%0.363SS*.THydrogen-bonded Turntrans-53.4111.7-177.3-83-176.3176.7176.50110.1K153K153-K155 PolarHBondContact O-N 3.42Å
156G50.7Low67.2Low38 Ų3872.7 Ų72.739%0.39238%0.382SS..THydrogen-bonded Turntrans113.1-19.817700000114.4S154 S158 H165S154-G156 PolarHBondContact O-N 2.91Å; G156-S158 PolarHBondContact O-N 2.73Å; G156-H165 PolarHBondContact O-NE2 2.81Å
157W53Low66.8Low62 Ų6276.8 Ų76.824%0.23540%0.403CS..  trans-97.277.8-176.7-57.2-13.6000110.7M151 S154 F172 V176M151-W157 WeakPolarHBondContact O-CB 3.46Å; S154-W157 PolarHBondContact O-N 2.71Å; W157-F172 AromaticContact CH2-CD2 3.35Å; W157-F172 HydrophobicContact CH2-CD2 3.35Å; W157-F172 AromaticContact CH2-CE2 3.11Å; W157-F172 HydrophobicContact CH2-CE2 3.11Å; W157-F172 HydrophobicContact CH2-CZ 4.23Å; W157-F172 AromaticContact CZ2-CD2 3.52Å; W157-F172 HydrophobicContact CZ2-CD2 3.52Å; W157-F172 AromaticContact CZ2-CE2 3.46Å; W157-F172 HydrophobicContact CZ2-CE2 3.46Å; W157-F172 VanDerWaalsContact CZ2-CE2 3.46Å; W157-F172 HydrophobicContact CZ3-CD2 4.38Å; W157-F172 AromaticContact CZ3-CE2 3.74Å; W157-F172 HydrophobicContact CZ3-CE2 3.74Å; W157-V176 HydrophobicContact CH2-CG2 3.71Å; W157-V176 HydrophobicContact CZ3-CG2 3.75Å
158S50.8Low67.1Low67 Ų6780 Ų8047%0.46943%0.426SS..  trans-89.4140.7166177.20000109.2G156 D160 A161G156-S158 PolarHBondContact O-N 2.73Å; S158-D160 PolarHBondContact O-N 3.28Å; S158-D160 VanDerWaalsContact O-N 3.1Å; S158-D160 PolarHBondContact OG-N 2.98Å; S158-A161 WeakPolarHBondContact O-CB 3.49Å; S158-A161 PolarHBondContact O-N 3.16Å
159L49.8Very low67.4Low92 Ų9282.2 Ų82.248%0.48244%0.437SS..THydrogen-bonded Turntrans-58.4-18.5166-76164.9000112.3L152 K324L152-L159 HydrophobicContact CD2-CD1 3.87Å; L152-L159 HydrophobicContact CD2-CD2 4.33Å; L152-L159 HydrophobicContact CD2-CG 3.92Å; L159-K324 HydrophobicContact CD1-CB 4.25Å; L159-K324 HydrophobicContact CD1-CG 4.19Å
160D50.6Low67.6Low115 Ų11582.9 Ų82.962%0.61544%0.44SS*.THydrogen-bonded Turntrans-10115.4175.8-54.8-47.7000112S158 S162 K324S158-D160 PolarHBondContact O-N 3.28Å; S158-D160 VanDerWaalsContact O-N 3.1Å; S158-D160 PolarHBondContact OG-N 2.98Å; D160-S162 PolarHBondContact O-N 3.28Å; D160-K324 VanDerWaalsContact CG-NZ 3.31Å; D160-K324 IonicContact OD1-NZ 2.8Å; D160-K324 PolarHBondContact OD1-NZ 3.33Å; D160-K324 IonicContact OD2-NZ 2.97Å; D160-K324 PolarHBondContact OD2-NZ 2.66Å
161A56.8Low67.9Low46 Ų4686.5 Ų86.538%0.3846%0.457SS..  trans-67.8125177.100000110.9S158S158-A161 WeakPolarHBondContact O-CB 3.49Å; S158-A161 PolarHBondContact O-N 3.16Å
162S58.4Low68.3Low129 Ų12987.4 Ų87.490%0.90246%0.461SS*.  trans-932.6-176.856.60000114.1D160D160-S162 PolarHBondContact O-N 3.28Å
163C64.8Low69Low80 Ų8085.7 Ų85.754%0.54145%0.452SS..SBendtrans-137.3151.8-173.362.60000113.1H165C163-H165 PolarHBondContact O-CD2 2.83Å
164W72.3Confident69.9Low163 Ų16380 Ų8062%0.61743%0.427SS*.  trans-67.4141.3170.7-71.296.5000111.7S465 T469W164-S465 WeakPolarHBondContact CH2-OG 3.47Å; W164-S465 WeakPolarHBondContact CZ2-OG 3.35Å; W164-T469 HydrophobicContact CH2-CG2 4.06Å; W164-T469 HydrophobicContact CZ2-CG2 3.63Å; W164-T469 VanDerWaalsContact CZ2-OG1 3.25Å; W164-T469 WeakPolarHBondContact CZ2-OG1 3.47Å
165H72.3Confident71.4Confident96 Ų9681.5 Ų81.544%0.44443%0.431SS..  trans-109.8125.3170-70.3-89.4000109.1G156 C163G156-H165 PolarHBondContact O-NE2 2.81Å; C163-H165 PolarHBondContact O-CD2 2.83Å
166E79.7Confident73.1Confident200 Ų20072.5 Ų72.594%0.93539%0.392SS*.  trans-93.4129.5175.3-169.8-179.8156.400109.9
167D79.9Confident75Confident87 Ų8770.8 Ų70.847%0.46537%0.374SS..  trans-148161.8173.3-162.50.7000110.2L169 H171D167-L169 PolarHBondContact O-N 3.01Å; D167-H171 IonicContact OD1-CG 3.48Å; D167-H171 IonicContact OD1-ND1 3.5Å; D167-H171 PolarHBondContact OD1-ND1 3.43Å; D167-H171 IonicContact OD2-CE1 2.78Å; D167-H171 IonicContact OD2-ND1 3.54Å; D167-H171 PolarHBondContact OD2-ND1 2.95Å
168S88.7Confident77Confident69 Ų6967.9 Ų67.948%0.48336%0.363SS..  trans-70.5125.1169.6167.50000110.2F170 H171 F172S168-F170 PolarHBondContact O-N 3.49Å; S168-F170 VanDerWaalsContact O-N 3.16Å; S168-H171 WeakPolarHBondContact O-CA 3.34Å; S168-H171 WeakPolarHBondContact O-CB 3.19Å; S168-H171 PolarHBondContact O-N 3.4Å; S168-F172 WeakPolarHBondContact O-CB 3.44Å; S168-F172 PolarHBondContact O-N 3.32Å
169L83.9Confident79.1Confident47 Ų4764.7 Ų64.725%0.24634%0.341CS..Hα-helixtrans-53.3-39.8178.2-171.365.5000112.7D167 C173 F292 L295 L296 L299D167-L169 PolarHBondContact O-N 3.01Å; L169-C173 PolarHBondContact O-N 3.5Å; L169-C173 PolarHBondContact O-SG 2.63Å; L169-F292 HydrophobicContact CB-CD2 4.2Å; L169-F292 HydrophobicContact CB-CE2 4.17Å; L169-F292 HydrophobicContact CD2-CD2 4.11Å; L169-F292 HydrophobicContact CD2-CE2 4.08Å; L169-F292 HydrophobicContact CG-CD2 3.93Å; L169-F292 HydrophobicContact CG-CE2 4.21Å; L169-L295 HydrophobicContact CD1-CD2 3.57Å; L169-L295 HydrophobicContact CD1-CG 4.07Å; L169-L296 HydrophobicContact CD2-CB 3.95Å; L169-L296 HydrophobicContact CD2-CD1 4.21Å; L169-L299 HydrophobicContact CD1-CD1 4.4Å; L169-L299 HydrophobicContact CD2-CD1 4.05Å
170F87.8Confident81Confident58 Ų5860.3 Ų60.325%0.25432%0.318SS..Hα-helixtrans-67.7-41.4177.8-176.4-89.6000111.8S168 Y174 P289 F292S168-F170 PolarHBondContact O-N 3.49Å; S168-F170 VanDerWaalsContact O-N 3.16Å; F170-Y174 AromaticContact CE1-CD1 3.81Å; F170-Y174 HydrophobicContact CE1-CD1 3.81Å; F170-Y174 AromaticContact CZ-CD1 3.72Å; F170-Y174 HydrophobicContact CZ-CD1 3.72Å; F170-Y174 HydrophobicContact CZ-CE1 4.22Å; F170-Y174 VanDerWaalsContact O-CB 3.3Å; F170-Y174 WeakPolarHBondContact O-CB 3.33Å; F170-Y174 PolarHBondContact O-N 2.99Å; F170-P289 HydrophobicContact CE2-CB 4.18Å; F170-P289 HydrophobicContact CE2-CG 4.31Å; F170-P289 HydrophobicContact CZ-CG 4.29Å; F170-F292 VanDerWaalsContact CA-CD2 3.41Å; F170-F292 HydrophobicContact CB-CD2 3.67Å; F170-F292 HydrophobicContact CB-CE2 3.83Å; F170-F292 HydrophobicContact CB-CG 4.12Å; F170-F292 HydrophobicContact CB-CZ 4.4Å; F170-F292 HydrophobicContact CD2-CB 3.96Å; F170-F292 AromaticContact CD2-CD1 3.6Å; F170-F292 HydrophobicContact CD2-CD1 3.6Å; F170-F292 HydrophobicContact CD2-CD2 4.01Å; F170-F292 HydrophobicContact CD2-CE1 4.04Å; F170-F292 HydrophobicContact CD2-CE2 4.42Å; F170-F292 AromaticContact CD2-CG 3.55Å; F170-F292 HydrophobicContact CD2-CG 3.55Å; F170-F292 HydrophobicContact CD2-CZ 4.43Å; F170-F292 HydrophobicContact CE2-CD1 4.27Å; F170-F292 HydrophobicContact CE2-CG 4.45Å; F170-F292 HydrophobicContact CG-CD2 4.34Å; F170-F292 HydrophobicContact CG-CG 4.3Å
171H90.1Very high83.1Confident76 Ų7654.9 Ų54.935%0.35229%0.288SS..Hα-helixtrans-63.6-49.7176.6178-98.9000110.4D167 S168 Y174 Y175 F203D167-H171 IonicContact OD1-CG 3.48Å; D167-H171 IonicContact OD1-ND1 3.5Å; D167-H171 PolarHBondContact OD1-ND1 3.43Å; D167-H171 IonicContact OD2-CE1 2.78Å; D167-H171 IonicContact OD2-ND1 3.54Å; D167-H171 PolarHBondContact OD2-ND1 2.95Å; S168-H171 WeakPolarHBondContact O-CA 3.34Å; S168-H171 WeakPolarHBondContact O-CB 3.19Å; S168-H171 PolarHBondContact O-N 3.4Å; H171-Y174 PolarHBondContact O-N 3.05Å; H171-Y175 WeakPolarHBondContact O-CB 3.26Å; H171-Y175 PolarHBondContact O-N 3.44Å; H171-F203 AromaticContact CD2-CE1 3.78Å; H171-F203 AromaticContact NE2-CE1 3.71Å
172F86Confident85Confident42 Ų4252.7 Ų52.718%0.18427%0.271CS..Hα-helixtrans-53.3-59.9178.1174-93.6000112.2W157 S168 Y174 Y175 V176W157-F172 AromaticContact CH2-CD2 3.35Å; W157-F172 HydrophobicContact CH2-CD2 3.35Å; W157-F172 AromaticContact CH2-CE2 3.11Å; W157-F172 HydrophobicContact CH2-CE2 3.11Å; W157-F172 HydrophobicContact CH2-CZ 4.23Å; W157-F172 AromaticContact CZ2-CD2 3.52Å; W157-F172 HydrophobicContact CZ2-CD2 3.52Å; W157-F172 AromaticContact CZ2-CE2 3.46Å; W157-F172 HydrophobicContact CZ2-CE2 3.46Å; W157-F172 VanDerWaalsContact CZ2-CE2 3.46Å; W157-F172 HydrophobicContact CZ3-CD2 4.38Å; W157-F172 AromaticContact CZ3-CE2 3.74Å; W157-F172 HydrophobicContact CZ3-CE2 3.74Å; S168-F172 WeakPolarHBondContact O-CB 3.44Å; S168-F172 PolarHBondContact O-N 3.32Å; F172-Y174 VanDerWaalsContact C-N 3.29Å; F172-Y174 PolarHBondContact O-N 3.13Å; F172-Y175 PolarHBondContact O-N 2.92Å; F172-V176 HydrophobicContact CD2-CG2 4.37Å; F172-V176 HydrophobicContact CE2-CG2 4.21Å; F172-V176 HydrophobicContact CZ-CG2 4.38Å; F172-V176 WeakPolarHBondContact O-CB 3.37Å; F172-V176 WeakPolarHBondContact O-CG2 3.23Å; F172-V176 PolarHBondContact O-N 2.84Å
173C87.2Confident86.7Confident2 Ų246.6 Ų46.61%0.01423%0.228CC..Hα-helixtrans-60.1-41.5-176.3-65.20000111.8L169 L177 F292L169-C173 PolarHBondContact O-N 3.5Å; L169-C173 PolarHBondContact O-SG 2.63Å; C173-L177 WeakPolarHBondContact O-CB 3.36Å; C173-L177 PolarHBondContact O-N 3.14Å; C173-F292 HydrophobicContact CB-CB 4.08Å
174Y91.3Very high88.1Confident0 Ų042.8 Ų42.80%020%0.202CC..Hα-helixtrans-73.2-44.8-178.4-153.1158.2000111.1F170 H171 F172 V176 F178 F203 F206 Q284 G285 P289F170-Y174 AromaticContact CE1-CD1 3.81Å; F170-Y174 HydrophobicContact CE1-CD1 3.81Å; F170-Y174 AromaticContact CZ-CD1 3.72Å; F170-Y174 HydrophobicContact CZ-CD1 3.72Å; F170-Y174 HydrophobicContact CZ-CE1 4.22Å; F170-Y174 VanDerWaalsContact O-CB 3.3Å; F170-Y174 WeakPolarHBondContact O-CB 3.33Å; F170-Y174 PolarHBondContact O-N 2.99Å; H171-Y174 PolarHBondContact O-N 3.05Å; F172-Y174 VanDerWaalsContact C-N 3.29Å; F172-Y174 PolarHBondContact O-N 3.13Å; Y174-V176 PolarHBondContact O-N 2.8Å; Y174-F178 HydrophobicContact CD2-CB 4.13Å; Y174-F178 HydrophobicContact CE2-CB 4.43Å; Y174-F178 HydrophobicContact CE2-CD2 4.48Å; Y174-F178 WeakPolarHBondContact O-CA 3.34Å; Y174-F178 WeakPolarHBondContact O-CB 3.31Å; Y174-F178 PolarHBondContact O-N 2.94Å; Y174-F203 HydrophobicContact CD1-CE2 4.34Å; Y174-F203 HydrophobicContact CD2-CD2 4.49Å; Y174-F203 AromaticContact CD2-CE2 3.7Å; Y174-F203 HydrophobicContact CD2-CE2 3.7Å; Y174-F203 HydrophobicContact CE2-CE2 4.4Å; Y174-F203 AromaticContact CG-CE2 3.66Å; Y174-F203 HydrophobicContact CG-CE2 3.66Å; Y174-F203 HydrophobicContact CG-CZ 4.18Å; Y174-F206 HydrophobicContact CE2-CE1 4.18Å; Y174-F206 AromaticContact CZ-CE1 3.91Å; Y174-F206 WeakPolarHBondContact OH-CE1 3.15Å; Y174-Q284 VanDerWaalsContact CE2-O 3.26Å; Y174-Q284 WeakPolarHBondContact CE2-O 3.35Å; Y174-Q284 PolarHBondContact OH-O 3.05Å; Y174-G285 VanDerWaalsContact OH-CA 3.31Å; Y174-G285 WeakPolarHBondContact OH-CA 3.16Å; Y174-G285 PolarHBondContact OH-O 3.34Å; Y174-P289 HydrophobicContact CD1-CG 4.05Å; Y174-P289 HydrophobicContact CE1-CG 3.58Å
175Y92.4Very high89.2Confident47 Ų4735.1 Ų35.118%0.18417%0.173CC..Hα-helixtrans-58.2-49.8178.7176.5-92.9000111.5H171 F172 F178 T179 F203H171-Y175 WeakPolarHBondContact O-CB 3.26Å; H171-Y175 PolarHBondContact O-N 3.44Å; F172-Y175 PolarHBondContact O-N 2.92Å; Y175-F178 PolarHBondContact O-N 2.99Å; Y175-T179 HydrophobicContact CD2-CG2 4.29Å; Y175-T179 HydrophobicContact CE1-CG2 4.29Å; Y175-T179 HydrophobicContact CE2-CG2 3.97Å; Y175-T179 WeakPolarHBondContact O-CB 3.45Å; Y175-T179 WeakPolarHBondContact O-CG2 3.48Å; Y175-T179 PolarHBondContact O-N 3.28Å; Y175-T179 PolarHBondContact O-OG1 3.07Å; Y175-F203 AromaticContact CD2-CD1 3.65Å; Y175-F203 HydrophobicContact CD2-CD1 3.65Å; Y175-F203 HydrophobicContact CD2-CE1 4.04Å; Y175-F203 HydrophobicContact CD2-CG 4.16Å; Y175-F203 HydrophobicContact CG-CD1 4.48Å
176V88.5Confident90.2Very high6 Ų630.8 Ų30.84%0.03615%0.153CC..Hα-helixtrans-62.1-51.2-177.7171.40000111L147 V150 M151 W157 F172 Y174 T179 A180L147-V176 HydrophobicContact CD1-CG1 3.38Å; V150-V176 HydrophobicContact CG1-CB 4.49Å; V150-V176 HydrophobicContact CG1-CG1 4.28Å; V150-V176 HydrophobicContact CG1-CG2 4.4Å; M151-V176 HydrophobicContact CG-CG1 3.89Å; M151-V176 HydrophobicContact SD-CG1 4.3Å; W157-V176 HydrophobicContact CH2-CG2 3.71Å; W157-V176 HydrophobicContact CZ3-CG2 3.75Å; F172-V176 HydrophobicContact CD2-CG2 4.37Å; F172-V176 HydrophobicContact CE2-CG2 4.21Å; F172-V176 HydrophobicContact CZ-CG2 4.38Å; F172-V176 WeakPolarHBondContact O-CB 3.37Å; F172-V176 WeakPolarHBondContact O-CG2 3.23Å; F172-V176 PolarHBondContact O-N 2.84Å; Y174-V176 PolarHBondContact O-N 2.8Å; V176-T179 PolarHBondContact O-OG1 2.76Å; V176-T179 VanDerWaalsContact O-OG1 3.09Å; V176-A180 VanDerWaalsContact O-CB 3.31Å; V176-A180 WeakPolarHBondContact O-CB 3.41Å; V176-A180 PolarHBondContact O-N 2.83Å
177L90.4Very high90.9Very high3 Ų321.2 Ų21.22%0.01611%0.108CC..Hα-helixtrans-69-37.7-179.6-73.3170000112.7M143 C173 G181 Q284 T287M143-L177 HydrophobicContact CE-CD2 4.02Å; C173-L177 WeakPolarHBondContact O-CB 3.36Å; C173-L177 PolarHBondContact O-N 3.14Å; L177-G181 WeakPolarHBondContact O-CA 3.25Å; L177-G181 PolarHBondContact O-N 2.85Å; L177-Q284 PolarHBondContact O-OE1 3.31Å; L177-T287 HydrophobicContact CD1-CG2 4.19Å
178F95.1Very high91.4Very high1 Ų118.3 Ų18.30%0.0049%0.091CC..Hα-helixtrans-62.2-48.8177.3178.4-85.5000111.3Y174 Y175 Y182 L202 F203 F206 L280 Q284Y174-F178 HydrophobicContact CD2-CB 4.13Å; Y174-F178 HydrophobicContact CE2-CB 4.43Å; Y174-F178 HydrophobicContact CE2-CD2 4.48Å; Y174-F178 WeakPolarHBondContact O-CA 3.34Å; Y174-F178 WeakPolarHBondContact O-CB 3.31Å; Y174-F178 PolarHBondContact O-N 2.94Å; Y175-F178 PolarHBondContact O-N 2.99Å; F178-Y182 WeakPolarHBondContact O-CB 3.49Å; F178-Y182 PolarHBondContact O-N 3.25Å; F178-L202 HydrophobicContact CE1-CB 4.38Å; F178-L202 HydrophobicContact CE1-CD2 4.49Å; F178-L202 HydrophobicContact CE1-CG 4.42Å; F178-L202 HydrophobicContact CZ-CD2 4.29Å; F178-L202 HydrophobicContact CZ-CG 4.22Å; F178-F203 HydrophobicContact CB-CD2 3.65Å; F178-F203 HydrophobicContact CB-CE2 4.17Å; F178-F203 HydrophobicContact CD1-CB 3.52Å; F178-F203 AromaticContact CD1-CD2 3.84Å; F178-F203 HydrophobicContact CD1-CD2 3.84Å; F178-F203 HydrophobicContact CD1-CG 4.14Å; F178-F203 HydrophobicContact CD2-CD2 4.12Å; F178-F203 HydrophobicContact CE1-CB 3.74Å; F178-F203 HydrophobicContact CG-CB 4.19Å; F178-F203 AromaticContact CG-CD2 3.59Å; F178-F203 HydrophobicContact CG-CD2 3.59Å; F178-F203 HydrophobicContact CG-CE2 4.49Å; F178-F203 HydrophobicContact CG-CG 4.34Å; F178-F206 AromaticContact CD2-CD1 3.84Å; F178-F206 HydrophobicContact CD2-CD1 3.84Å; F178-F206 HydrophobicContact CD2-CE1 4.18Å; F178-F206 HydrophobicContact CD2-CG 4.04Å; F178-F206 HydrophobicContact CE2-CB 3.71Å; F178-F206 AromaticContact CE2-CD1 3.58Å; F178-F206 HydrophobicContact CE2-CD1 3.58Å; F178-F206 AromaticContact CE2-CD2 3.55Å; F178-F206 HydrophobicContact CE2-CD2 3.55Å; F178-F206 HydrophobicContact CE2-CE1 4.09Å; F178-F206 HydrophobicContact CE2-CE2 4.02Å; F178-F206 AromaticContact CE2-CG 3.29Å; F178-F206 HydrophobicContact CE2-CG 3.29Å; F178-F206 HydrophobicContact CE2-CZ 4.28Å; F178-F206 HydrophobicContact CZ-CB 3.81Å; F178-F206 HydrophobicContact CZ-CD2 4.17Å; F178-F206 AromaticContact CZ-CG 3.91Å; F178-F206 HydrophobicContact CZ-CG 3.91Å; F178-L280 HydrophobicContact CE2-CD1 4.33Å; F178-L280 HydrophobicContact CZ-CD1 4.33Å; F178-L280 HydrophobicContact CZ-CD2 4.41Å; F178-Q284 HydrophobicContact CD2-CB 3.68Å; F178-Q284 HydrophobicContact CD2-CG 3.99Å; F178-Q284 HydrophobicContact CE2-CB 3.92Å; F178-Q284 HydrophobicContact CE2-CG 4.08Å
179T94.6Very high91.5Very high0 Ų016.4 Ų16.40%08%0.077CC..Hα-helixtrans-67.4-46.5-177.349.70000110.8V150 Y175 V176 G181 Y182 L183 A199V150-T179 WeakPolarHBondContact CG1-OG1 3.23Å; Y175-T179 HydrophobicContact CD2-CG2 4.29Å; Y175-T179 HydrophobicContact CE1-CG2 4.29Å; Y175-T179 HydrophobicContact CE2-CG2 3.97Å; Y175-T179 WeakPolarHBondContact O-CB 3.45Å; Y175-T179 WeakPolarHBondContact O-CG2 3.48Å; Y175-T179 PolarHBondContact O-N 3.28Å; Y175-T179 PolarHBondContact O-OG1 3.07Å; V176-T179 PolarHBondContact O-OG1 2.76Å; V176-T179 VanDerWaalsContact O-OG1 3.09Å; T179-G181 PolarHBondContact O-N 3.29Å; T179-Y182 PolarHBondContact O-N 2.96Å; T179-L183 WeakPolarHBondContact O-CB 3.29Å; T179-L183 WeakPolarHBondContact O-CD1 3.36Å; T179-L183 WeakPolarHBondContact O-CG 3.49Å; T179-L183 PolarHBondContact O-N 2.87Å; T179-A199 HydrophobicContact CG2-CB 3.89Å
180A91.3Very high91.7Very high0 Ų023.3 Ų23.30%010%0.104CC..Hα-helixtrans-61.7-44.9176.100000112.2M143 S146 L147 V150 V176 L183 S184M143-A180 HydrophobicContact CE-CB 3.66Å; M143-A180 VanDerWaalsContact SD-C 3.58Å; M143-A180 HydrophobicContact SD-CB 3.97Å; S146-A180 WeakPolarHBondContact CB-O 3.5Å; L147-A180 HydrophobicContact CB-CB 4.16Å; L147-A180 HydrophobicContact CD1-CB 4.14Å; V150-A180 HydrophobicContact CG2-CB 4.23Å; V176-A180 VanDerWaalsContact O-CB 3.31Å; V176-A180 WeakPolarHBondContact O-CB 3.41Å; V176-A180 PolarHBondContact O-N 2.83Å; A180-L183 PolarHBondContact O-N 3.2Å; A180-S184 WeakPolarHBondContact O-CB 3.44Å; A180-S184 PolarHBondContact O-N 3.4Å; A180-S184 PolarHBondContact O-OG 3.35Å
181G93.8Very high91.9Very high0 Ų024.8 Ų24.80%012%0.115CC..Hα-helixtrans-67.3-39.3178.700000113.1L177 T179 S184 L185 Q284L177-G181 WeakPolarHBondContact O-CA 3.25Å; L177-G181 PolarHBondContact O-N 2.85Å; T179-G181 PolarHBondContact O-N 3.29Å; G181-S184 WeakPolarHBondContact CA-OG 3.41Å; G181-S184 PolarHBondContact O-OG 3.01Å; G181-S184 VanDerWaalsContact O-OG 3.09Å; G181-L185 VanDerWaalsContact O-CB 3.32Å; G181-L185 WeakPolarHBondContact O-CB 3.47Å; G181-L185 WeakPolarHBondContact O-CD1 3.49Å; G181-L185 WeakPolarHBondContact O-CG 3.34Å; G181-L185 PolarHBondContact O-N 3.27Å; G181-L185 VanDerWaalsContact O-N 3.1Å; G181-Q284 VanDerWaalsContact C-NE2 3.34Å
182Y95.8Very high91.8Very high1 Ų126.6 Ų26.60%0.00412%0.122CC..Hα-helixtrans-61.1-49.3173.5168.5-110000110.9F178 T179 L185 F186 A199 L202 L240 K248 L280F178-Y182 WeakPolarHBondContact O-CB 3.49Å; F178-Y182 PolarHBondContact O-N 3.25Å; T179-Y182 PolarHBondContact O-N 2.96Å; Y182-L185 PolarHBondContact O-N 3.1Å; Y182-F186 HydrophobicContact CD2-CB 4.03Å; Y182-F186 AromaticContact CD2-CD2 3.6Å; Y182-F186 HydrophobicContact CD2-CD2 3.6Å; Y182-F186 HydrophobicContact CD2-CE2 4.34Å; Y182-F186 AromaticContact CD2-CG 3.97Å; Y182-F186 HydrophobicContact CD2-CG 3.97Å; Y182-F186 HydrophobicContact CE2-CB 3.79Å; Y182-F186 HydrophobicContact CE2-CD2 4.01Å; Y182-F186 AromaticContact CE2-CG 3.9Å; Y182-F186 HydrophobicContact CE2-CG 3.9Å; Y182-F186 VanDerWaalsContact O-CB 3.31Å; Y182-F186 WeakPolarHBondContact O-CB 3.48Å; Y182-F186 WeakPolarHBondContact O-CD2 3.22Å; Y182-F186 PolarHBondContact O-N 3.15Å; Y182-A199 HydrophobicContact CD1-CB 3.57Å; Y182-A199 HydrophobicContact CE1-CB 3.95Å; Y182-L202 HydrophobicContact CD2-CD2 3.89Å; Y182-L202 HydrophobicContact CE1-CD2 4.3Å; Y182-L202 HydrophobicContact CE2-CD2 3.57Å; Y182-L202 HydrophobicContact CG-CD2 4.38Å; Y182-L240 HydrophobicContact CE2-CD2 3.78Å; Y182-K248 PolarHBondContact OH-NZ 3.26Å; Y182-L280 HydrophobicContact CD2-CD1 3.88Å
183L94.6Very high91.9Very high0 Ų030.7 Ų30.70%014%0.142CC..Hα-helixtrans-70.2-34.7-176.3-64.7166.1000112.4V150 T179 A180 G187 Y188 D195 L196 A199V150-L183 HydrophobicContact CG2-CD1 4.32Å; T179-L183 WeakPolarHBondContact O-CB 3.29Å; T179-L183 WeakPolarHBondContact O-CD1 3.36Å; T179-L183 WeakPolarHBondContact O-CG 3.49Å; T179-L183 PolarHBondContact O-N 2.87Å; A180-L183 PolarHBondContact O-N 3.2Å; L183-G187 VanDerWaalsContact O-CA 3.25Å; L183-G187 WeakPolarHBondContact O-CA 3.35Å; L183-G187 PolarHBondContact O-N 3.32Å; L183-Y188 HydrophobicContact CB-CD1 4.41Å; L183-Y188 HydrophobicContact CB-CE1 3.67Å; L183-Y188 HydrophobicContact CB-CE2 3.88Å; L183-Y188 VanDerWaalsContact CB-OH 3.23Å; L183-Y188 WeakPolarHBondContact CB-OH 3.39Å; L183-Y188 HydrophobicContact CD1-CE1 3.67Å; L183-Y188 HydrophobicContact CD2-CD1 3.81Å; L183-Y188 HydrophobicContact CD2-CE1 3.67Å; L183-Y188 HydrophobicContact CG-CD1 4.47Å; L183-Y188 HydrophobicContact CG-CE1 3.85Å; L183-D195 HydrophobicContact CD2-CB 3.99Å; L183-L196 HydrophobicContact CD1-CD1 4.24Å; L183-A199 HydrophobicContact CD2-CB 4.37Å; L183-A199 HydrophobicContact CG-CB 4.37Å
184S94.1Very high92.1Very high0 Ų034.5 Ų34.50%016%0.159CC..Hα-helixtrans-70.3-31.4175.769.30000113.2A180 G181A180-S184 WeakPolarHBondContact O-CB 3.44Å; A180-S184 PolarHBondContact O-N 3.4Å; A180-S184 PolarHBondContact O-OG 3.35Å; G181-S184 WeakPolarHBondContact CA-OG 3.41Å; G181-S184 PolarHBondContact O-OG 3.01Å; G181-S184 VanDerWaalsContact O-OG 3.09Å
185L94.9Very high92.1Very high2 Ų234.5 Ų34.51%0.0116%0.159CC..Hα-helixtrans-88.2-41.9-179.5-67.7171.9000113.2L139 G181 Y182 S252 W254 S283 F445L139-L185 HydrophobicContact CD1-CD2 3.89Å; L139-L185 HydrophobicContact CD2-CD2 4.04Å; G181-L185 VanDerWaalsContact O-CB 3.32Å; G181-L185 WeakPolarHBondContact O-CB 3.47Å; G181-L185 WeakPolarHBondContact O-CD1 3.49Å; G181-L185 WeakPolarHBondContact O-CG 3.34Å; G181-L185 PolarHBondContact O-N 3.27Å; G181-L185 VanDerWaalsContact O-N 3.1Å; Y182-L185 PolarHBondContact O-N 3.1Å; L185-S252 PolarHBondContact O-N 3.37Å; L185-S252 PolarHBondContact O-OG 2.92Å; L185-W254 HydrophobicContact CD1-CZ3 4.44Å; L185-W254 HydrophobicContact CD2-CE3 3.86Å; L185-W254 HydrophobicContact CD2-CZ3 4.03Å; L185-S283 WeakPolarHBondContact CD1-OG 3.3Å; L185-F445 HydrophobicContact CD2-CE1 4.41Å
186F95.3Very high92Very high5 Ų532.9 Ų32.92%0.02215%0.154CC..Hα-helixtrans-105.4-0.2-171.9-65.5-92000113.8Y182 L240 K248 L255 N276 L280Y182-F186 HydrophobicContact CD2-CB 4.03Å; Y182-F186 AromaticContact CD2-CD2 3.6Å; Y182-F186 HydrophobicContact CD2-CD2 3.6Å; Y182-F186 HydrophobicContact CD2-CE2 4.34Å; Y182-F186 AromaticContact CD2-CG 3.97Å; Y182-F186 HydrophobicContact CD2-CG 3.97Å; Y182-F186 HydrophobicContact CE2-CB 3.79Å; Y182-F186 HydrophobicContact CE2-CD2 4.01Å; Y182-F186 AromaticContact CE2-CG 3.9Å; Y182-F186 HydrophobicContact CE2-CG 3.9Å; Y182-F186 VanDerWaalsContact O-CB 3.31Å; Y182-F186 WeakPolarHBondContact O-CB 3.48Å; Y182-F186 WeakPolarHBondContact O-CD2 3.22Å; Y182-F186 PolarHBondContact O-N 3.15Å; F186-L240 HydrophobicContact CD1-CD2 4.08Å; F186-L240 HydrophobicContact CE1-CD2 4.07Å; F186-K248 WeakPolarHBondContact O-CD 3.35Å; F186-L255 HydrophobicContact CD1-CD2 3.56Å; F186-L255 HydrophobicContact CE1-CD2 3.48Å; F186-L255 VanDerWaalsContact CE1-CD2 3.48Å; F186-L255 HydrophobicContact CG-CD2 4.27Å; F186-L255 HydrophobicContact CZ-CD2 4.15Å; F186-N276 HydrophobicContact CE1-CB 4.15Å; F186-L280 HydrophobicContact CD2-CD1 4.26Å; F186-L280 HydrophobicContact CE2-CB 4.06Å; F186-L280 HydrophobicContact CE2-CD1 3.66Å; F186-L280 HydrophobicContact CE2-CG 4.49Å; F186-L280 HydrophobicContact CZ-CB 3.86Å; F186-L280 HydrophobicContact CZ-CD1 4.28Å
187G93.1Very high92.1Very high0 Ų036.4 Ų36.40%017%0.172CC..  trans73.1-175.117300000114.9L183 E249L183-G187 VanDerWaalsContact O-CA 3.25Å; L183-G187 WeakPolarHBondContact O-CA 3.35Å; L183-G187 PolarHBondContact O-N 3.32Å; G187-E249 CarbonylContact C-O 3.55Å; G187-E249 WeakPolarHBondContact CA-O 3.49Å
188Y91.3Very high92.2Very high25 Ų2537.8 Ų37.810%0.09818%0.178CC..BIsolated β-bridgetrans-128.8148.5-174.7-57.8-102.2000110.6S146 F149 L183 K192 D195 K248 E249S146-Y188 WeakPolarHBondContact CB-OH 3.18Å; S146-Y188 PolarHBondContact OG-OH 2.83Å; F149-Y188 HydrophobicContact CD1-CE1 4.38Å; F149-Y188 HydrophobicContact CE1-CE1 4.4Å; L183-Y188 HydrophobicContact CB-CD1 4.41Å; L183-Y188 HydrophobicContact CB-CE1 3.67Å; L183-Y188 HydrophobicContact CB-CE2 3.88Å; L183-Y188 VanDerWaalsContact CB-OH 3.23Å; L183-Y188 WeakPolarHBondContact CB-OH 3.39Å; L183-Y188 HydrophobicContact CD1-CE1 3.67Å; L183-Y188 HydrophobicContact CD2-CD1 3.81Å; L183-Y188 HydrophobicContact CD2-CE1 3.67Å; L183-Y188 HydrophobicContact CG-CD1 4.47Å; L183-Y188 HydrophobicContact CG-CE1 3.85Å; Y188-K192 HydrophobicContact CD1-CB 4.18Å; Y188-K192 HydrophobicContact CD1-CD 4.27Å; Y188-K192 HydrophobicContact CD1-CG 3.9Å; Y188-K192 HydrophobicContact CG-CG 4.29Å; Y188-D195 HydrophobicContact CD1-CB 4.29Å; Y188-K248 CarbonylContact O-C 3.51Å; Y188-K248 VanDerWaalsContact O-CA 3.29Å; Y188-K248 WeakPolarHBondContact O-CA 3.49Å; Y188-E249 PolarHBondContact N-O 3.45Å; Y188-E249 PolarHBondContact O-N 3.07Å
189T91.1Very high92.1Very high30 Ų3037.8 Ų37.818%0.18418%0.178CC..  trans-76.1-176.5160.373.80000110.5D191 D195 K248T189-D191 PolarHBondContact O-N 2.85Å; T189-D191 PolarHBondContact OG1-N 3Å; T189-D191 PolarHBondContact OG1-O 3.32Å; T189-D195 WeakPolarHBondContact CA-OD2 3.4Å; T189-D195 WeakPolarHBondContact CB-OD2 3.48Å; T189-D195 PolarHBondContact N-OD2 2.8Å; T189-D195 PolarHBondContact OG1-OD2 3.05Å; T189-K248 HydrophobicContact CG2-CG 4.06Å
190K87.8Confident92Very high191 Ų19138.2 Ų38.283%0.8318%0.183SC*.SBendtrans-63.8-22.4172.8-65.2-175.2179-179.50113.1
191D90.9Very high92.1Very high89 Ų8943.9 Ų43.948%0.47621%0.21SC..  trans-104.883.3179.3-170.7-15.9000110.7T189 E193 Q194 D195T189-D191 PolarHBondContact O-N 2.85Å; T189-D191 PolarHBondContact OG1-N 3Å; T189-D191 PolarHBondContact OG1-O 3.32Å; D191-E193 PolarHBondContact O-N 2.91Å; D191-E193 PolarHBondContact OD1-N 3.09Å; D191-Q194 HydrophobicContact CB-CB 4.03Å; D191-Q194 VanDerWaalsContact CG-CB 3.41Å; D191-Q194 PolarHBondContact O-N 3.47Å; D191-Q194 PolarHBondContact OD1-N 2.75Å; D191-Q194 VanDerWaalsContact OD1-N 3.08Å; D191-D195 PolarHBondContact O-N 3.38Å; D191-D195 VanDerWaalsContact O-OD2 3.11Å
192K88.4Confident92.2Very high114 Ų11444.1 Ų44.150%0.49621%0.211SC..Hα-helixtrans-62.6-28.7-177.5-64.7-169.8176.2-172.30113.7F149 Y188 L196F149-K192 HydrophobicContact CE1-CB 4.2Å; F149-K192 HydrophobicContact CZ-CB 3.81Å; Y188-K192 HydrophobicContact CD1-CB 4.18Å; Y188-K192 HydrophobicContact CD1-CD 4.27Å; Y188-K192 HydrophobicContact CD1-CG 3.9Å; Y188-K192 HydrophobicContact CG-CG 4.29Å; K192-L196 PolarHBondContact O-N 2.78Å
193E88.1Confident92.2Very high129 Ų12944.3 Ų44.360%0.60321%0.211SC*.Hα-helixtrans-72.8-41.3179-67.3-169.4174.300110.6D191 D195 L196 L197D191-E193 PolarHBondContact O-N 2.91Å; D191-E193 PolarHBondContact OD1-N 3.09Å; E193-D195 VanDerWaalsContact C-N 3.33Å; E193-D195 PolarHBondContact O-N 3.12Å; E193-L196 PolarHBondContact O-N 3.05Å; E193-L197 PolarHBondContact O-N 3.23Å; E193-L197 VanDerWaalsContact O-N 3.08Å
194Q90.4Very high92.3Very high82 Ų8247.8 Ų47.838%0.38323%0.233SC..Hα-helixtrans-64.4-37.6172.9-177.358.42400111.9D191 L197 Q198D191-Q194 HydrophobicContact CB-CB 4.03Å; D191-Q194 VanDerWaalsContact CG-CB 3.41Å; D191-Q194 PolarHBondContact O-N 3.47Å; D191-Q194 PolarHBondContact OD1-N 2.75Å; D191-Q194 VanDerWaalsContact OD1-N 3.08Å; Q194-L197 PolarHBondContact O-N 3.09Å; Q194-Q198 WeakPolarHBondContact O-CG 3.43Å; Q194-Q198 PolarHBondContact O-N 2.86Å
195D91.9Very high92.4Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-64.3-38.8174.1-74.8-55.7000112.9L183 Y188 T189 D191 E193 L197 Q198 A199L183-D195 HydrophobicContact CD2-CB 3.99Å; Y188-D195 HydrophobicContact CD1-CB 4.29Å; T189-D195 WeakPolarHBondContact CA-OD2 3.4Å; T189-D195 WeakPolarHBondContact CB-OD2 3.48Å; T189-D195 PolarHBondContact N-OD2 2.8Å; T189-D195 PolarHBondContact OG1-OD2 3.05Å; D191-D195 PolarHBondContact O-N 3.38Å; D191-D195 VanDerWaalsContact O-OD2 3.11Å; E193-D195 VanDerWaalsContact C-N 3.33Å; E193-D195 PolarHBondContact O-N 3.12Å; D195-L197 VanDerWaalsContact C-N 3.35Å; D195-Q198 PolarHBondContact O-N 3.17Å; D195-A199 WeakPolarHBondContact O-CB 3.33Å; D195-A199 PolarHBondContact O-N 3.3Å
196L90.6Very high92.5Very high13 Ų1349.1 Ų49.17%0.06824%0.239CC..Hα-helixtrans-62.7-42.7175-179.859.7000111.4F149 V150 K153 L183 K192 E193 A199 G200F149-L196 HydrophobicContact CE1-CB 4.07Å; F149-L196 HydrophobicContact CE1-CD2 4.06Å; F149-L196 HydrophobicContact CZ-CD2 4.47Å; V150-L196 HydrophobicContact CB-CD1 4.49Å; V150-L196 HydrophobicContact CG2-CD1 3.74Å; K153-L196 HydrophobicContact CB-CD2 4.19Å; L183-L196 HydrophobicContact CD1-CD1 4.24Å; K192-L196 PolarHBondContact O-N 2.78Å; E193-L196 PolarHBondContact O-N 3.05Å; L196-A199 PolarHBondContact O-N 3.15Å; L196-G200 PolarHBondContact O-N 2.68Å
197L90.6Very high92.5Very high80 Ų8051 Ų5142%0.41925%0.246SC..Hα-helixtrans-61.3-47.6175.4-176.266.2000111.1E193 Q194 D195 A199 G200 E201E193-L197 PolarHBondContact O-N 3.23Å; E193-L197 VanDerWaalsContact O-N 3.08Å; Q194-L197 PolarHBondContact O-N 3.09Å; D195-L197 VanDerWaalsContact C-N 3.35Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 3.03Å; L197-G200 PolarHBondContact O-N 3.29Å; L197-G200 VanDerWaalsContact O-N 3.14Å; L197-E201 PolarHBondContact O-N 3.23Å
198Q91.8Very high92.6Very high32 Ų3255 Ų5515%0.1526%0.263CS..Hα-helixtrans-62.1-38.4177-73.1-177.847.100112.5Q194 D195 G200 E201 L202Q194-Q198 WeakPolarHBondContact O-CG 3.43Å; Q194-Q198 PolarHBondContact O-N 2.86Å; D195-Q198 PolarHBondContact O-N 3.17Å; Q198-G200 VanDerWaalsContact C-N 3.29Å; Q198-G200 PolarHBondContact O-N 2.96Å; Q198-E201 PolarHBondContact O-N 2.7Å; Q198-L202 VanDerWaalsContact O-CB 3.27Å; Q198-L202 WeakPolarHBondContact O-CB 3.47Å; Q198-L202 PolarHBondContact O-N 3.48Å
199A94.1Very high92.8Very high0 Ų053.9 Ų53.90%026%0.259CS..Hα-helixtrans-61.5-39.817500000111.2T179 Y182 L183 D195 L196 L197 L202 F203T179-A199 HydrophobicContact CG2-CB 3.89Å; Y182-A199 HydrophobicContact CD1-CB 3.57Å; Y182-A199 HydrophobicContact CE1-CB 3.95Å; L183-A199 HydrophobicContact CD2-CB 4.37Å; L183-A199 HydrophobicContact CG-CB 4.37Å; D195-A199 WeakPolarHBondContact O-CB 3.33Å; D195-A199 PolarHBondContact O-N 3.3Å; L196-A199 PolarHBondContact O-N 3.15Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 3.03Å; A199-L202 PolarHBondContact O-N 2.7Å; A199-F203 WeakPolarHBondContact O-CB 3.27Å; A199-F203 PolarHBondContact O-N 3.03Å
200G92.8Very high92.9Very high10 Ų1053.7 Ų53.710%0.10326%0.257CS..Hα-helixtrans-65.8-41.8174.500000113.6L196 L197 Q198 L202 F203 V204L196-G200 PolarHBondContact O-N 2.68Å; L197-G200 PolarHBondContact O-N 3.29Å; L197-G200 VanDerWaalsContact O-N 3.14Å; Q198-G200 VanDerWaalsContact C-N 3.29Å; Q198-G200 PolarHBondContact O-N 2.96Å; G200-L202 VanDerWaalsContact C-N 3.34Å; G200-F203 WeakPolarHBondContact O-CB 3.48Å; G200-F203 PolarHBondContact O-N 3.3Å; G200-V204 PolarHBondContact O-N 3.47Å
201E93.8Very high93.1Very high119 Ų11949.5 Ų49.556%0.55624%0.243SC*.Hα-helixtrans-64.1-41.7173.3-68.3178.4174.900111.5L197 Q198 F203 V204 E205L197-E201 PolarHBondContact O-N 3.23Å; Q198-E201 PolarHBondContact O-N 2.7Å; E201-F203 VanDerWaalsContact C-N 3.31Å; E201-F203 PolarHBondContact O-N 3.48Å; E201-V204 PolarHBondContact O-N 2.88Å; E201-E205 PolarHBondContact O-N 2.85Å
202L95.4Very high93.1Very high4 Ų446 Ų462%0.02122%0.224CC..Hα-helixtrans-62.8-38.4176.6-168.867.9000111.5F178 Y182 Q198 A199 G200 V204 E205 F206 L235 F236 M239 L280F178-L202 HydrophobicContact CE1-CB 4.38Å; F178-L202 HydrophobicContact CE1-CD2 4.49Å; F178-L202 HydrophobicContact CE1-CG 4.42Å; F178-L202 HydrophobicContact CZ-CD2 4.29Å; F178-L202 HydrophobicContact CZ-CG 4.22Å; Y182-L202 HydrophobicContact CD2-CD2 3.89Å; Y182-L202 HydrophobicContact CE1-CD2 4.3Å; Y182-L202 HydrophobicContact CE2-CD2 3.57Å; Y182-L202 HydrophobicContact CG-CD2 4.38Å; Q198-L202 VanDerWaalsContact O-CB 3.27Å; Q198-L202 WeakPolarHBondContact O-CB 3.47Å; Q198-L202 PolarHBondContact O-N 3.48Å; A199-L202 PolarHBondContact O-N 2.7Å; G200-L202 VanDerWaalsContact C-N 3.34Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 3.46Å; L202-E205 PolarHBondContact O-N 3.43Å; L202-F206 VanDerWaalsContact O-CB 3.22Å; L202-F206 WeakPolarHBondContact O-CB 3.38Å; L202-F206 PolarHBondContact O-N 3.26Å; L202-L235 HydrophobicContact CD1-CD2 4.25Å; L202-F236 HydrophobicContact CD1-CD1 3.69Å; L202-F236 HydrophobicContact CD1-CE1 3.4Å; L202-F236 HydrophobicContact CD1-CZ 4.46Å; L202-F236 HydrophobicContact CG-CE1 3.99Å; L202-M239 HydrophobicContact CD1-CB 4.16Å; L202-M239 HydrophobicContact CD1-CG 4.27Å; L202-L280 HydrophobicContact CD2-CD2 4.15Å
203F96.2Very high93.1Very high5 Ų541.6 Ų41.62%0.02221%0.205CC..Hα-helixtrans-58.1-44.1175.2170.4-107.5000112.1H171 Y174 Y175 F178 A199 G200 E201 E205 F206 R207H171-F203 AromaticContact CD2-CE1 3.78Å; H171-F203 AromaticContact NE2-CE1 3.71Å; Y174-F203 HydrophobicContact CD1-CE2 4.34Å; Y174-F203 HydrophobicContact CD2-CD2 4.49Å; Y174-F203 AromaticContact CD2-CE2 3.7Å; Y174-F203 HydrophobicContact CD2-CE2 3.7Å; Y174-F203 HydrophobicContact CE2-CE2 4.4Å; Y174-F203 AromaticContact CG-CE2 3.66Å; Y174-F203 HydrophobicContact CG-CE2 3.66Å; Y174-F203 HydrophobicContact CG-CZ 4.18Å; Y175-F203 AromaticContact CD2-CD1 3.65Å; Y175-F203 HydrophobicContact CD2-CD1 3.65Å; Y175-F203 HydrophobicContact CD2-CE1 4.04Å; Y175-F203 HydrophobicContact CD2-CG 4.16Å; Y175-F203 HydrophobicContact CG-CD1 4.48Å; F178-F203 HydrophobicContact CB-CD2 3.65Å; F178-F203 HydrophobicContact CB-CE2 4.17Å; F178-F203 HydrophobicContact CD1-CB 3.52Å; F178-F203 AromaticContact CD1-CD2 3.84Å; F178-F203 HydrophobicContact CD1-CD2 3.84Å; F178-F203 HydrophobicContact CD1-CG 4.14Å; F178-F203 HydrophobicContact CD2-CD2 4.12Å; F178-F203 HydrophobicContact CE1-CB 3.74Å; F178-F203 HydrophobicContact CG-CB 4.19Å; F178-F203 AromaticContact CG-CD2 3.59Å; F178-F203 HydrophobicContact CG-CD2 3.59Å; F178-F203 HydrophobicContact CG-CE2 4.49Å; F178-F203 HydrophobicContact CG-CG 4.34Å; A199-F203 WeakPolarHBondContact O-CB 3.27Å; A199-F203 PolarHBondContact O-N 3.03Å; G200-F203 WeakPolarHBondContact O-CB 3.48Å; G200-F203 PolarHBondContact O-N 3.3Å; E201-F203 VanDerWaalsContact C-N 3.31Å; E201-F203 PolarHBondContact O-N 3.48Å; F203-E205 VanDerWaalsContact C-N 3.34Å; F203-E205 PolarHBondContact O-N 2.89Å; F203-F206 WeakPolarHBondContact O-CB 3.44Å; F203-F206 PolarHBondContact O-N 3.33Å; F203-F206 VanDerWaalsContact O-N 3.15Å; F203-R207 HydrophobicContact CD1-CG 4.45Å; F203-R207 HydrophobicContact CD2-CG 4.09Å; F203-R207 HydrophobicContact CE1-CG 4.02Å; F203-R207 HydrophobicContact CE2-CG 3.61Å; F203-R207 HydrophobicContact CZ-CG 3.59Å; F203-R207 WeakPolarHBondContact O-CG 3.47Å; F203-R207 PolarHBondContact O-N 2.87Å
204V95.4Very high93Very high74 Ų7436.9 Ų36.945%0.44819%0.185SC..Hα-helixtrans-60.7-45.7179.1174.50000110.8G200 E201 L202 F206 K208G200-V204 PolarHBondContact O-N 3.47Å; E201-V204 PolarHBondContact O-N 2.88Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 3.46Å; V204-F206 VanDerWaalsContact C-N 3.32Å; V204-K208 PolarHBondContact O-N 3.28Å
205E97.1Very high92.6Very high29 Ų2935.7 Ų35.714%0.13618%0.178CC..Hα-helixtrans-68.4-34.1176.5-62.2-62.4117.900111.8E201 L202 F203 K208 F209 R231 L232 L235 F236E201-E205 PolarHBondContact O-N 2.85Å; L202-E205 PolarHBondContact O-N 3.43Å; F203-E205 VanDerWaalsContact C-N 3.34Å; F203-E205 PolarHBondContact O-N 2.89Å; E205-K208 WeakPolarHBondContact O-CB 3.09Å; E205-K208 PolarHBondContact O-N 2.83Å; E205-K208 IonicContact OE1-NZ 3.59Å; E205-K208 PolarHBondContact OE1-NZ 3.34Å; E205-F209 PolarHBondContact O-N 3.11Å; E205-F209 VanDerWaalsContact O-N 3.13Å; E205-R231 IonicContact OE2-CZ 3.18Å; E205-R231 VanDerWaalsContact OE2-CZ 3.25Å; E205-R231 IonicContact OE2-NH1 2.82Å; E205-R231 PolarHBondContact OE2-NH1 3.09Å; E205-R231 IonicContact OE2-NH2 3.96Å; E205-R231 PolarHBondContact OE2-NH2 3.35Å; E205-L232 HydrophobicContact CB-CD2 4.09Å; E205-L232 WeakPolarHBondContact O-CD2 3.41Å; E205-L232 WeakPolarHBondContact OE2-CD2 3.49Å; E205-L235 HydrophobicContact CB-CD2 4.13Å; E205-L235 HydrophobicContact CG-CD1 3.94Å; E205-L235 HydrophobicContact CG-CD2 4.22Å; E205-F236 HydrophobicContact CB-CZ 4.12Å
206F96.8Very high92.4Very high0 Ų035.9 Ų35.90%018%0.178CC..Hα-helixtrans-63.7-45.8177.2-179.8-89.2000111.2Y174 F178 L202 F203 V204 K208 F209 D210 F236 L280 W281 Q284Y174-F206 HydrophobicContact CE2-CE1 4.18Å; Y174-F206 AromaticContact CZ-CE1 3.91Å; Y174-F206 WeakPolarHBondContact OH-CE1 3.15Å; F178-F206 AromaticContact CD2-CD1 3.84Å; F178-F206 HydrophobicContact CD2-CD1 3.84Å; F178-F206 HydrophobicContact CD2-CE1 4.18Å; F178-F206 HydrophobicContact CD2-CG 4.04Å; F178-F206 HydrophobicContact CE2-CB 3.71Å; F178-F206 AromaticContact CE2-CD1 3.58Å; F178-F206 HydrophobicContact CE2-CD1 3.58Å; F178-F206 AromaticContact CE2-CD2 3.55Å; F178-F206 HydrophobicContact CE2-CD2 3.55Å; F178-F206 HydrophobicContact CE2-CE1 4.09Å; F178-F206 HydrophobicContact CE2-CE2 4.02Å; F178-F206 AromaticContact CE2-CG 3.29Å; F178-F206 HydrophobicContact CE2-CG 3.29Å; F178-F206 HydrophobicContact CE2-CZ 4.28Å; F178-F206 HydrophobicContact CZ-CB 3.81Å; F178-F206 HydrophobicContact CZ-CD2 4.17Å; F178-F206 AromaticContact CZ-CG 3.91Å; F178-F206 HydrophobicContact CZ-CG 3.91Å; L202-F206 VanDerWaalsContact O-CB 3.22Å; L202-F206 WeakPolarHBondContact O-CB 3.38Å; L202-F206 PolarHBondContact O-N 3.26Å; F203-F206 WeakPolarHBondContact O-CB 3.44Å; F203-F206 PolarHBondContact O-N 3.33Å; F203-F206 VanDerWaalsContact O-N 3.15Å; V204-F206 VanDerWaalsContact C-N 3.32Å; F206-K208 VanDerWaalsContact C-N 3.29Å; F206-K208 PolarHBondContact O-N 3.08Å; F206-F209 PolarHBondContact O-N 2.83Å; F206-F209 VanDerWaalsContact O-N 3.14Å; F206-D210 HydrophobicContact CD1-CB 4.49Å; F206-D210 HydrophobicContact CE1-CB 4.17Å; F206-D210 WeakPolarHBondContact O-CB 3.44Å; F206-D210 PolarHBondContact O-N 3.39Å; F206-F236 HydrophobicContact CB-CE1 4.38Å; F206-F236 HydrophobicContact CB-CZ 4.07Å; F206-F236 HydrophobicContact CD2-CZ 4.49Å; F206-L280 HydrophobicContact CD2-CD2 4.25Å; F206-L280 HydrophobicContact CD2-CG 4.45Å; F206-L280 HydrophobicContact CE2-CG 4.39Å; F206-W281 HydrophobicContact CE2-CB 4.19Å; F206-W281 AromaticContact CE2-CD1 3.83Å; F206-W281 HydrophobicContact CE2-CG 4.36Å; F206-W281 AromaticContact CZ-CD1 3.79Å; F206-W281 HydrophobicContact CZ-CG 4.48Å; F206-Q284 HydrophobicContact CE2-CB 4.41Å; F206-Q284 HydrophobicContact CZ-CB 4.04Å
207R95.7Very high92Very high45 Ų4536.4 Ų36.417%0.1718%0.182CC..Hα-helixtrans-59-38.7175.7-70.6-61.4-57.1137.42.6112.3F203 D210 L211F203-R207 HydrophobicContact CD1-CG 4.45Å; F203-R207 HydrophobicContact CD2-CG 4.09Å; F203-R207 HydrophobicContact CE1-CG 4.02Å; F203-R207 HydrophobicContact CE2-CG 3.61Å; F203-R207 HydrophobicContact CZ-CG 3.59Å; F203-R207 WeakPolarHBondContact O-CG 3.47Å; F203-R207 PolarHBondContact O-N 2.87Å; R207-D210 IonicContact NH1-OD2 2.71Å; R207-D210 PolarHBondContact NH1-OD2 3.19Å; R207-D210 PolarHBondContact O-N 2.98Å; R207-L211 WeakPolarHBondContact O-CB 3.29Å; R207-L211 VanDerWaalsContact O-CG 3.26Å; R207-L211 WeakPolarHBondContact O-CG 3.23Å; R207-L211 PolarHBondContact O-N 2.91Å
208K95.4Very high91.4Very high85 Ų8535.8 Ų35.837%0.3717%0.174SC..Hα-helixtrans-62.1-45.7175.1-66.8173.1-173.5169.50111.5V204 E205 F206 L212 L232V204-K208 PolarHBondContact O-N 3.28Å; E205-K208 WeakPolarHBondContact O-CB 3.09Å; E205-K208 PolarHBondContact O-N 2.83Å; E205-K208 IonicContact OE1-NZ 3.59Å; E205-K208 PolarHBondContact OE1-NZ 3.34Å; F206-K208 VanDerWaalsContact C-N 3.29Å; F206-K208 PolarHBondContact O-N 3.08Å; K208-L212 WeakPolarHBondContact O-CD1 3.33Å; K208-L212 WeakPolarHBondContact O-CG 3.44Å; K208-L212 PolarHBondContact O-N 2.99Å; K208-L232 HydrophobicContact CB-CD1 4.07Å; K208-L232 HydrophobicContact CB-CD2 4.27Å
209F95.4Very high90.8Very high1 Ų137.9 Ų37.90%0.00419%0.193CC..Hα-helixtrans-64.7-45.2177.1-179.4-98.3000111.8V110 F111 E205 F206 L211 L212 F213 V229 L232 F236 F277 W281V110-F209 HydrophobicContact CG1-CZ 3.91Å; F111-F209 HydrophobicContact CE1-CE1 4.11Å; F111-F209 HydrophobicContact CE1-CZ 4.18Å; E205-F209 PolarHBondContact O-N 3.11Å; E205-F209 VanDerWaalsContact O-N 3.13Å; F206-F209 PolarHBondContact O-N 2.83Å; F206-F209 VanDerWaalsContact O-N 3.14Å; F209-L211 VanDerWaalsContact C-N 3.34Å; F209-L211 PolarHBondContact O-N 3.15Å; F209-L212 CarbonylContact O-C 3.54Å; F209-L212 WeakPolarHBondContact O-CA 3.43Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 3.17Å; F209-F213 AromaticContact CE1-CD2 3.71Å; F209-F213 HydrophobicContact CE1-CD2 3.71Å; F209-F213 HydrophobicContact CE1-CE2 4.42Å; F209-F213 HydrophobicContact CZ-CD2 4.11Å; F209-F213 PolarHBondContact O-N 3.34Å; F209-V229 HydrophobicContact CE2-CG1 4.4Å; F209-L232 HydrophobicContact CB-CD1 4Å; F209-L232 HydrophobicContact CD2-CB 4.3Å; F209-L232 HydrophobicContact CD2-CD1 4.49Å; F209-F236 HydrophobicContact CB-CE2 4.05Å; F209-F236 HydrophobicContact CG-CE2 4.48Å; F209-F277 HydrophobicContact CD1-CE2 4.27Å; F209-F277 AromaticContact CD1-CZ 3.76Å; F209-F277 HydrophobicContact CD1-CZ 3.76Å; F209-F277 AromaticContact CD2-CZ 3.89Å; F209-F277 HydrophobicContact CD2-CZ 3.89Å; F209-F277 HydrophobicContact CE1-CE1 4.32Å; F209-F277 HydrophobicContact CE1-CE2 4.26Å; F209-F277 AromaticContact CE1-CZ 3.56Å; F209-F277 HydrophobicContact CE1-CZ 3.56Å; F209-F277 HydrophobicContact CE2-CE1 4.01Å; F209-F277 AromaticContact CE2-CZ 3.71Å; F209-F277 HydrophobicContact CE2-CZ 3.71Å; F209-F277 AromaticContact CG-CZ 3.91Å; F209-F277 HydrophobicContact CG-CZ 3.91Å; F209-F277 AromaticContact CZ-CE1 3.88Å; F209-F277 HydrophobicContact CZ-CE1 3.88Å; F209-F277 AromaticContact CZ-CZ 3.53Å; F209-F277 HydrophobicContact CZ-CZ 3.53Å; F209-W281 AromaticContact CD1-CD1 3.86Å; F209-W281 AromaticContact CE1-CD1 3.78Å; F209-W281 HydrophobicContact CE1-CG 4.25Å
210D92.4Very high90.2Very high26 Ų2639.2 Ų39.214%0.13920%0.2CC..Hα-helixtrans-62.2-38.7-177.4-168.656.5000112.5F206 R207 L212 F213 P214 W281F206-D210 HydrophobicContact CD1-CB 4.49Å; F206-D210 HydrophobicContact CE1-CB 4.17Å; F206-D210 WeakPolarHBondContact O-CB 3.44Å; F206-D210 PolarHBondContact O-N 3.39Å; R207-D210 IonicContact NH1-OD2 2.71Å; R207-D210 PolarHBondContact NH1-OD2 3.19Å; R207-D210 PolarHBondContact O-N 2.98Å; D210-L212 PolarHBondContact O-N 3.4Å; D210-F213 WeakPolarHBondContact O-CB 3.48Å; D210-F213 PolarHBondContact O-N 3.25Å; D210-F213 VanDerWaalsContact O-N 3.16Å; D210-P214 WeakPolarHBondContact O-CD 3.42Å; D210-W281 PolarHBondContact OD1-NE1 3.05Å
211L91.5Very high89.8Confident103 Ų10339.5 Ų39.554%0.53920%0.199SC..Hα-helixtrans-65.3-22.9172.8-72.3170000114R207 F209 R215R207-L211 WeakPolarHBondContact O-CB 3.29Å; R207-L211 VanDerWaalsContact O-CG 3.26Å; R207-L211 WeakPolarHBondContact O-CG 3.23Å; R207-L211 PolarHBondContact O-N 2.91Å; F209-L211 VanDerWaalsContact C-N 3.34Å; F209-L211 PolarHBondContact O-N 3.15Å; L211-R215 PolarHBondContact O-NH2 3.26Å
212L90.9Very high89.4Confident14 Ų1441 Ų417%0.07320%0.199CC..Hα-helixtrans-90.9-21.2176.4-66165.2000111.6K208 F209 D210 R215 F216 L221 E225 E228 V229 L232K208-L212 WeakPolarHBondContact O-CD1 3.33Å; K208-L212 WeakPolarHBondContact O-CG 3.44Å; K208-L212 PolarHBondContact O-N 2.99Å; F209-L212 CarbonylContact O-C 3.54Å; F209-L212 WeakPolarHBondContact O-CA 3.43Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 3.17Å; D210-L212 PolarHBondContact O-N 3.4Å; L212-R215 VanDerWaalsContact CD2-NH2 3.28Å; L212-R215 PolarHBondContact O-N 3.29Å; L212-F216 WeakPolarHBondContact O-CB 3.26Å; L212-F216 PolarHBondContact O-N 2.77Å; L212-L221 HydrophobicContact CB-CD2 4.33Å; L212-L221 HydrophobicContact CD2-CD2 4.13Å; L212-E225 HydrophobicContact CD2-CB 3.92Å; L212-E225 HydrophobicContact CD2-CG 3.83Å; L212-E228 HydrophobicContact CD1-CG 4.05Å; L212-V229 HydrophobicContact CB-CG2 4.11Å; L212-V229 HydrophobicContact CD1-CG2 3.94Å; L212-L232 HydrophobicContact CD1-CD1 4.13Å
213F89.8Confident89Confident22 Ų2245.6 Ų45.610%0.09623%0.229CC..Hα-helixtrans-56.6-51.2-169.6-175-84.7000114V110 F111 F209 D210 R215 F216 V217 W281V110-F213 HydrophobicContact CG1-CD2 3.79Å; V110-F213 HydrophobicContact CG1-CE2 3.44Å; V110-F213 VanDerWaalsContact CG1-CE2 3.44Å; V110-F213 HydrophobicContact CG1-CZ 4.35Å; F111-F213 HydrophobicContact CE2-CE2 4.22Å; F111-F213 AromaticContact CZ-CE2 3.74Å; F111-F213 HydrophobicContact CZ-CE2 3.74Å; F209-F213 AromaticContact CE1-CD2 3.71Å; F209-F213 HydrophobicContact CE1-CD2 3.71Å; F209-F213 HydrophobicContact CE1-CE2 4.42Å; F209-F213 HydrophobicContact CZ-CD2 4.11Å; F209-F213 PolarHBondContact O-N 3.34Å; D210-F213 WeakPolarHBondContact O-CB 3.48Å; D210-F213 PolarHBondContact O-N 3.25Å; D210-F213 VanDerWaalsContact O-N 3.16Å; F213-R215 VanDerWaalsContact C-N 3.32Å; F213-R215 PolarHBondContact O-N 3.06Å; F213-F216 WeakPolarHBondContact O-CA 3.25Å; F213-F216 WeakPolarHBondContact O-CB 3.12Å; F213-F216 PolarHBondContact O-N 3.03Å; F213-V217 HydrophobicContact CD1-CG2 3.73Å; F213-V217 HydrophobicContact CE1-CG2 3.33Å; F213-V217 HydrophobicContact CG-CG2 4.46Å; F213-V217 HydrophobicContact CZ-CG2 3.79Å; F213-V217 WeakPolarHBondContact O-CG2 3.45Å; F213-V217 PolarHBondContact O-N 3.04Å; F213-W281 AromaticContact CD1-CE2 4Å; F213-W281 AromaticContact CD1-CH2 3.89Å; F213-W281 HydrophobicContact CD1-CH2 3.89Å; F213-W281 AromaticContact CD1-CZ2 3.36Å; F213-W281 HydrophobicContact CD1-CZ2 3.36Å; F213-W281 HydrophobicContact CD2-CD2 4.07Å; F213-W281 AromaticContact CD2-CE2 3.54Å; F213-W281 HydrophobicContact CD2-CH2 4.45Å; F213-W281 AromaticContact CD2-CZ2 3.77Å; F213-W281 HydrophobicContact CD2-CZ2 3.77Å; F213-W281 AromaticContact CD2-NE1 3.69Å; F213-W281 AromaticContact CE1-CH2 3.24Å; F213-W281 HydrophobicContact CE1-CH2 3.24Å; F213-W281 AromaticContact CE1-CZ2 3.23Å; F213-W281 HydrophobicContact CE1-CZ2 3.23Å; F213-W281 HydrophobicContact CE1-CZ3 4.03Å; F213-W281 AromaticContact CE2-CD2 3.69Å; F213-W281 HydrophobicContact CE2-CD2 3.69Å; F213-W281 AromaticContact CE2-CE2 3.51Å; F213-W281 AromaticContact CE2-CE3 3.91Å; F213-W281 HydrophobicContact CE2-CE3 3.91Å; F213-W281 HydrophobicContact CE2-CG 4.4Å; F213-W281 AromaticContact CE2-CH2 3.86Å; F213-W281 HydrophobicContact CE2-CH2 3.86Å; F213-W281 AromaticContact CE2-CZ2 3.61Å; F213-W281 HydrophobicContact CE2-CZ2 3.61Å; F213-W281 AromaticContact CE2-CZ3 3.99Å; F213-W281 HydrophobicContact CE2-CZ3 3.99Å; F213-W281 AromaticContact CG-CE2 3.78Å; F213-W281 HydrophobicContact CG-CH2 4.46Å; F213-W281 AromaticContact CG-CZ2 3.64Å; F213-W281 HydrophobicContact CG-CZ2 3.64Å; F213-W281 AromaticContact CG-NE1 3.9Å; F213-W281 HydrophobicContact CZ-CD2 4.08Å; F213-W281 AromaticContact CZ-CE2 3.79Å; F213-W281 AromaticContact CZ-CE3 3.94Å; F213-W281 HydrophobicContact CZ-CE3 3.94Å; F213-W281 AromaticContact CZ-CH2 3.22Å; F213-W281 HydrophobicContact CZ-CH2 3.22Å; F213-W281 AromaticContact CZ-CZ2 3.37Å; F213-W281 HydrophobicContact CZ-CZ2 3.37Å; F213-W281 AromaticContact CZ-CZ3 3.52Å; F213-W281 HydrophobicContact CZ-CZ3 3.52Å
214P84.6Confident88.8Confident30 Ų3053.1 Ų53.120%0.19527%0.265CS..Hα-helixtrans-59.7-44-178-22.632.9000112.1D210 F216 V217 Y218 L496D210-P214 WeakPolarHBondContact O-CD 3.42Å; P214-F216 VanDerWaalsContact C-N 3.28Å; P214-F216 PolarHBondContact O-N 3.21Å; P214-V217 PolarHBondContact O-N 2.92Å; P214-Y218 WeakPolarHBondContact O-CD2 3.5Å; P214-Y218 PolarHBondContact O-N 3.12Å; P214-L496 HydrophobicContact CB-CB 4.23Å; P214-L496 HydrophobicContact CB-CD2 4.45Å; P214-L496 VanDerWaalsContact CB-OXT 3.29Å; P214-L496 WeakPolarHBondContact CB-OXT 3.22Å; P214-L496 HydrophobicContact CG-CD2 4.42Å
215R82.7Confident88.7Confident58 Ų5851.2 Ų51.222%0.21925%0.251CS..Hα-helixtrans-66.2-34.1177.3-64.3-178.5-73.7154.812.1111.4L211 L212 F213 S219 L220 L221 E225L211-R215 PolarHBondContact O-NH2 3.26Å; L212-R215 VanDerWaalsContact CD2-NH2 3.28Å; L212-R215 PolarHBondContact O-N 3.29Å; F213-R215 VanDerWaalsContact C-N 3.32Å; F213-R215 PolarHBondContact O-N 3.06Å; R215-S219 PolarHBondContact O-N 3.16Å; R215-L220 PolarHBondContact O-N 2.91Å; R215-L221 HydrophobicContact CB-CD2 3.76Å; R215-E225 IonicContact CZ-OE1 3.69Å; R215-E225 VanDerWaalsContact CZ-OE1 3.28Å; R215-E225 IonicContact NH1-OE1 3.43Å; R215-E225 PolarHBondContact NH1-OE1 2.93Å; R215-E225 IonicContact NH1-OE2 3.49Å; R215-E225 IonicContact NH2-OE1 2.97Å; R215-E225 PolarHBondContact NH2-OE1 3.37Å
216F86.9Confident88.4Confident4 Ų455.3 Ų55.32%0.01827%0.265CS..Hα-helixtrans-66.5-46.4175-167.9-165.9000112.4K109 V110 L212 F213 P214 Y218 S219 L221 W226 V229K109-F216 WeakPolarHBondContact CE-O 3.45Å; K109-F216 HydrophobicContact CG-CE2 4.2Å; K109-F216 PolarHBondContact NZ-O 2.81Å; K109-F216 WeakPolarHBondContact O-CZ 3.36Å; V110-F216 HydrophobicContact CB-CD1 4.33Å; V110-F216 HydrophobicContact CB-CE1 4.15Å; V110-F216 HydrophobicContact CG1-CD1 3.89Å; V110-F216 HydrophobicContact CG1-CE1 3.97Å; V110-F216 HydrophobicContact CG2-CD1 4.18Å; V110-F216 HydrophobicContact CG2-CE1 4.3Å; V110-F216 HydrophobicContact CG2-CG 4.47Å; V110-F216 WeakPolarHBondContact O-CE1 3.31Å; L212-F216 WeakPolarHBondContact O-CB 3.26Å; L212-F216 PolarHBondContact O-N 2.77Å; F213-F216 WeakPolarHBondContact O-CA 3.25Å; F213-F216 WeakPolarHBondContact O-CB 3.12Å; F213-F216 PolarHBondContact O-N 3.03Å; P214-F216 VanDerWaalsContact C-N 3.28Å; P214-F216 PolarHBondContact O-N 3.21Å; F216-Y218 PolarHBondContact O-N 2.94Å; F216-S219 PolarHBondContact O-N 3.32Å; F216-L221 HydrophobicContact CB-CD1 3.75Å; F216-L221 HydrophobicContact CB-CD2 4.26Å; F216-L221 HydrophobicContact CB-CG 4.07Å; F216-L221 HydrophobicContact CD2-CD1 3.56Å; F216-L221 HydrophobicContact CD2-CG 4.36Å; F216-L221 HydrophobicContact CE2-CD1 4.32Å; F216-L221 HydrophobicContact CG-CD1 3.69Å; F216-L221 HydrophobicContact CG-CG 4.48Å; F216-W226 HydrophobicContact CD2-CH2 4.08Å; F216-W226 HydrophobicContact CD2-CZ3 4.26Å; F216-W226 HydrophobicContact CE2-CE3 4.3Å; F216-W226 AromaticContact CE2-CH2 3.51Å; F216-W226 HydrophobicContact CE2-CH2 3.51Å; F216-W226 HydrophobicContact CE2-CZ2 4.41Å; F216-W226 AromaticContact CE2-CZ3 3.44Å; F216-W226 HydrophobicContact CE2-CZ3 3.44Å; F216-W226 VanDerWaalsContact CE2-CZ3 3.44Å; F216-W226 HydrophobicContact CZ-CZ3 4.09Å; F216-V229 HydrophobicContact CD1-CG1 3.87Å; F216-V229 HydrophobicContact CD1-CG2 4.43Å; F216-V229 HydrophobicContact CE1-CG1 3.39Å; F216-V229 HydrophobicContact CZ-CG1 3.85Å
217V83.4Confident88.2Confident23 Ų2361.7 Ų61.714%0.13930%0.298CS..Hα-helixtrans-50.6-43.9177.6168.90000111.3L106 K109 V110 F213 P214 S219L106-V217 HydrophobicContact CD1-CB 4.23Å; L106-V217 HydrophobicContact CD1-CG1 3.82Å; L106-V217 HydrophobicContact CD1-CG2 4.07Å; K109-V217 PolarHBondContact NZ-O 3.39Å; V110-V217 HydrophobicContact CG2-CG2 4.48Å; F213-V217 HydrophobicContact CD1-CG2 3.73Å; F213-V217 HydrophobicContact CE1-CG2 3.33Å; F213-V217 HydrophobicContact CG-CG2 4.46Å; F213-V217 HydrophobicContact CZ-CG2 3.79Å; F213-V217 WeakPolarHBondContact O-CG2 3.45Å; F213-V217 PolarHBondContact O-N 3.04Å; P214-V217 PolarHBondContact O-N 2.92Å; V217-S219 PolarHBondContact O-N 3.09Å
218Y76.8Confident88.2Confident67 Ų6762.3 Ų62.326%0.26330%0.303SS..THydrogen-bonded Turntrans-87.64-179-63-69.5000115.3F49 P214 F216 L220F49-Y218 AromaticContact CE1-CE1 3.93Å; F49-Y218 HydrophobicContact CE1-CE1 3.93Å; F49-Y218 HydrophobicContact CE1-CE2 4.33Å; F49-Y218 AromaticContact CE1-CZ 3.83Å; P214-Y218 WeakPolarHBondContact O-CD2 3.5Å; P214-Y218 PolarHBondContact O-N 3.12Å; F216-Y218 PolarHBondContact O-N 2.94Å; Y218-L220 VanDerWaalsContact C-N 3.33Å; Y218-L220 WeakPolarHBondContact O-CG 2.98Å
219S80.5Confident88.1Confident76 Ų7658.3 Ų58.353%0.53129%0.286SS..THydrogen-bonded Turntrans63.734-176.3-54.70000113.3K109 R215 F216 V217K109-S219 WeakPolarHBondContact CE-OG 3.43Å; K109-S219 PolarHBondContact NZ-OG 3.18Å; R215-S219 PolarHBondContact O-N 3.16Å; F216-S219 PolarHBondContact O-N 3.32Å; V217-S219 PolarHBondContact O-N 3.09Å
220L80.7Confident88.1Confident29 Ų2959 Ų5915%0.15229%0.293CS..  trans-109.418-173.3-58.5177.7000113.4R50 R215 Y218R50-L220 HydrophobicContact CB-CD1 3.76Å; R50-L220 HydrophobicContact CG-CD1 3.86Å; R50-L220 PolarHBondContact NH1-O 3.38Å; R50-L220 PolarHBondContact NH2-O 3.06Å; R215-L220 PolarHBondContact O-N 2.91Å; Y218-L220 VanDerWaalsContact C-N 3.33Å; Y218-L220 WeakPolarHBondContact O-CG 2.98Å
221L84.4Confident88.3Confident15 Ų1561.5 Ų61.58%0.07930%0.301CS..  trans-73.2142.7176.1-64.3178.1000112L212 R215 F216 E225 W226 V229L212-L221 HydrophobicContact CB-CD2 4.33Å; L212-L221 HydrophobicContact CD2-CD2 4.13Å; R215-L221 HydrophobicContact CB-CD2 3.76Å; F216-L221 HydrophobicContact CB-CD1 3.75Å; F216-L221 HydrophobicContact CB-CD2 4.26Å; F216-L221 HydrophobicContact CB-CG 4.07Å; F216-L221 HydrophobicContact CD2-CD1 3.56Å; F216-L221 HydrophobicContact CD2-CG 4.36Å; F216-L221 HydrophobicContact CE2-CD1 4.32Å; F216-L221 HydrophobicContact CG-CD1 3.69Å; F216-L221 HydrophobicContact CG-CG 4.48Å; L221-E225 WeakPolarHBondContact CA-OE2 3.43Å; L221-E225 HydrophobicContact CB-CB 4.06Å; L221-E225 HydrophobicContact CD2-CB 4.05Å; L221-E225 HydrophobicContact CG-CB 4.49Å; L221-W226 HydrophobicContact CB-CD2 4.39Å; L221-W226 HydrophobicContact CB-CG 4.23Å; L221-W226 HydrophobicContact CD1-CD2 4.2Å; L221-W226 HydrophobicContact CD1-CE3 4.49Å; L221-W226 PolarHBondContact O-NE1 3.21Å; L221-V229 HydrophobicContact CD1-CB 4.48Å; L221-V229 HydrophobicContact CD1-CG2 3.76Å
222W85.2Confident88.5Confident151 Ų15156.6 Ų56.657%0.57228%0.275SS*.  trans-75159.5169.9-62.2108.1000111.5Q224 E225 W226W222-Q224 VanDerWaalsContact C-N 3.3Å; W222-Q224 PolarHBondContact O-N 2.83Å; W222-E225 HydrophobicContact CB-CG 4.2Å; W222-E225 VanDerWaalsContact CD1-OE2 3.28Å; W222-E225 PolarHBondContact N-OE2 3.01Å; W222-E225 WeakPolarHBondContact O-CA 3.33Å; W222-E225 WeakPolarHBondContact O-CB 3.41Å; W222-E225 PolarHBondContact O-N 2.99Å; W222-W226 PolarHBondContact O-N 2.96Å
223P88.2Confident88.7Confident100 Ų10057.6 Ų57.665%0.64928%0.279SS*.Hα-helixtrans-54.8-39-177.2-29.136.1000115E225 W226 L227P223-E225 VanDerWaalsContact C-N 3.34Å; P223-W226 WeakPolarHBondContact O-CB 3.46Å; P223-W226 PolarHBondContact O-N 3Å; P223-L227 PolarHBondContact O-N 3.09Å
224Q90.8Very high89Confident164 Ų16464.4 Ų64.477%0.76630%0.304SS*.Hα-helixtrans-67.4-36.8176.6-68176.4-13.300112.1W222 W226 L227 E228W222-Q224 VanDerWaalsContact C-N 3.3Å; W222-Q224 PolarHBondContact O-N 2.83Å; Q224-W226 VanDerWaalsContact C-N 3.33Å; Q224-L227 WeakPolarHBondContact O-CB 3.4Å; Q224-L227 PolarHBondContact O-N 2.76Å; Q224-E228 PolarHBondContact O-N 3.43Å
225E92.9Very high89.5Confident33 Ų3365.3 Ų65.315%0.15431%0.307CS..Hα-helixtrans-68.7-33.9177.9-64.1175.8157.500111.6L212 R215 L221 W222 P223 L227 E228 V229L212-E225 HydrophobicContact CD2-CB 3.92Å; L212-E225 HydrophobicContact CD2-CG 3.83Å; R215-E225 IonicContact CZ-OE1 3.69Å; R215-E225 VanDerWaalsContact CZ-OE1 3.28Å; R215-E225 IonicContact NH1-OE1 3.43Å; R215-E225 PolarHBondContact NH1-OE1 2.93Å; R215-E225 IonicContact NH1-OE2 3.49Å; R215-E225 IonicContact NH2-OE1 2.97Å; R215-E225 PolarHBondContact NH2-OE1 3.37Å; L221-E225 WeakPolarHBondContact CA-OE2 3.43Å; L221-E225 HydrophobicContact CB-CB 4.06Å; L221-E225 HydrophobicContact CD2-CB 4.05Å; L221-E225 HydrophobicContact CG-CB 4.49Å; W222-E225 HydrophobicContact CB-CG 4.2Å; W222-E225 VanDerWaalsContact CD1-OE2 3.28Å; W222-E225 PolarHBondContact N-OE2 3.01Å; W222-E225 WeakPolarHBondContact O-CA 3.33Å; W222-E225 WeakPolarHBondContact O-CB 3.41Å; W222-E225 PolarHBondContact O-N 2.99Å; P223-E225 VanDerWaalsContact C-N 3.34Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-E228 PolarHBondContact O-N 2.95Å; E225-V229 WeakPolarHBondContact O-CB 3.41Å; E225-V229 WeakPolarHBondContact O-CG2 3.48Å; E225-V229 PolarHBondContact O-N 3.49Å
226W91Very high90.1Very high116 Ų11662.6 Ų62.644%0.43930%0.297SS..Hα-helixtrans-61.4-41.2171.6-83.1104.4000112.7F216 L221 W222 P223 Q224 E228 G230F216-W226 HydrophobicContact CD2-CH2 4.08Å; F216-W226 HydrophobicContact CD2-CZ3 4.26Å; F216-W226 HydrophobicContact CE2-CE3 4.3Å; F216-W226 AromaticContact CE2-CH2 3.51Å; F216-W226 HydrophobicContact CE2-CH2 3.51Å; F216-W226 HydrophobicContact CE2-CZ2 4.41Å; F216-W226 AromaticContact CE2-CZ3 3.44Å; F216-W226 HydrophobicContact CE2-CZ3 3.44Å; F216-W226 VanDerWaalsContact CE2-CZ3 3.44Å; F216-W226 HydrophobicContact CZ-CZ3 4.09Å; L221-W226 HydrophobicContact CB-CD2 4.39Å; L221-W226 HydrophobicContact CB-CG 4.23Å; L221-W226 HydrophobicContact CD1-CD2 4.2Å; L221-W226 HydrophobicContact CD1-CE3 4.49Å; L221-W226 PolarHBondContact O-NE1 3.21Å; W222-W226 PolarHBondContact O-N 2.96Å; P223-W226 WeakPolarHBondContact O-CB 3.46Å; P223-W226 PolarHBondContact O-N 3Å; Q224-W226 VanDerWaalsContact C-N 3.33Å; W226-E228 VanDerWaalsContact C-N 3.35Å; W226-G230 PolarHBondContact O-N 2.78Å
227L93.4Very high90.5Very high133 Ų13364 Ų6470%0.69630%0.304SS*.Hα-helixtrans-64.5-42.8175.7-66.6172.5000111P223 Q224 E225 G230 R231P223-L227 PolarHBondContact O-N 3.09Å; Q224-L227 WeakPolarHBondContact O-CB 3.4Å; Q224-L227 PolarHBondContact O-N 2.76Å; E225-L227 VanDerWaalsContact C-N 3.34Å; L227-G230 PolarHBondContact O-N 3.5Å; L227-R231 PolarHBondContact O-N 2.96Å
228E95.2Very high91Very high58 Ų5870.6 Ų70.627%0.27133%0.33SS..Hα-helixtrans-66.3-44.3179.5-178.360.6-177.300112.2L212 Q224 E225 W226 G230 R231 L232L212-E228 HydrophobicContact CD1-CG 4.05Å; Q224-E228 PolarHBondContact O-N 3.43Å; E225-E228 PolarHBondContact O-N 2.95Å; W226-E228 VanDerWaalsContact C-N 3.35Å; E228-G230 VanDerWaalsContact C-N 3.29Å; E228-G230 PolarHBondContact O-N 3.36Å; E228-R231 WeakPolarHBondContact O-CB 3.24Å; E228-R231 PolarHBondContact O-N 3.35Å; E228-R231 VanDerWaalsContact O-N 3.1Å; E228-R231 IonicContact OE1-CZ 3.13Å; E228-R231 IonicContact OE1-NE 3.43Å; E228-R231 PolarHBondContact OE1-NE 3.45Å; E228-R231 IonicContact OE1-NH2 2.67Å; E228-R231 PolarHBondContact OE1-NH2 3.09Å; E228-R231 IonicContact OE2-CZ 3.62Å; E228-R231 IonicContact OE2-NE 3.05Å; E228-R231 PolarHBondContact OE2-NE 3.35Å; E228-R231 IonicContact OE2-NH2 3.89Å; E228-L232 HydrophobicContact CG-CD1 3.96Å; E228-L232 WeakPolarHBondContact O-CB 3.35Å; E228-L232 WeakPolarHBondContact O-CG 3.48Å; E228-L232 PolarHBondContact O-N 3.41Å
229V94.4Very high91.6Very high2 Ų269.8 Ų69.81%0.01233%0.329CS..Hα-helixtrans-57.4-43.8172.3165.50000111F209 L212 F216 L221 E225 R231 L232 Q233F209-V229 HydrophobicContact CE2-CG1 4.4Å; L212-V229 HydrophobicContact CB-CG2 4.11Å; L212-V229 HydrophobicContact CD1-CG2 3.94Å; F216-V229 HydrophobicContact CD1-CG1 3.87Å; F216-V229 HydrophobicContact CD1-CG2 4.43Å; F216-V229 HydrophobicContact CE1-CG1 3.39Å; F216-V229 HydrophobicContact CZ-CG1 3.85Å; L221-V229 HydrophobicContact CD1-CB 4.48Å; L221-V229 HydrophobicContact CD1-CG2 3.76Å; E225-V229 WeakPolarHBondContact O-CB 3.41Å; E225-V229 WeakPolarHBondContact O-CG2 3.48Å; E225-V229 PolarHBondContact O-N 3.49Å; V229-R231 VanDerWaalsContact C-N 3.32Å; V229-R231 PolarHBondContact O-N 3.03Å; V229-L232 PolarHBondContact O-N 3.03Å; V229-Q233 HydrophobicContact CG1-CG 4.31Å; V229-Q233 WeakPolarHBondContact O-CB 3.5Å; V229-Q233 VanDerWaalsContact O-CG 3.32Å; V229-Q233 WeakPolarHBondContact O-CG 3.23Å; V229-Q233 PolarHBondContact O-N 2.89Å
230G94.1Very high92.2Very high14 Ų1466.3 Ų66.314%0.14431%0.305CS..Hα-helixtrans-62.3-37.9176.500000112.9W226 L227 E228 R234W226-G230 PolarHBondContact O-N 2.78Å; L227-G230 PolarHBondContact O-N 3.5Å; E228-G230 VanDerWaalsContact C-N 3.29Å; E228-G230 PolarHBondContact O-N 3.36Å; G230-R234 WeakPolarHBondContact O-CG 3.42Å; G230-R234 PolarHBondContact O-N 2.84Å; G230-R234 PolarHBondContact O-NH1 3.03Å; G230-R234 VanDerWaalsContact O-NH1 3.11Å
231R96.3Very high92.9Very high80 Ų8065.6 Ų65.630%0.30230%0.302SS..Hα-helixtrans-64.4-49.7174-173.8-164.968.378.10.6111E205 L227 E228 V229 R234 L235E205-R231 IonicContact OE2-CZ 3.18Å; E205-R231 VanDerWaalsContact OE2-CZ 3.25Å; E205-R231 IonicContact OE2-NH1 2.82Å; E205-R231 PolarHBondContact OE2-NH1 3.09Å; E205-R231 IonicContact OE2-NH2 3.96Å; E205-R231 PolarHBondContact OE2-NH2 3.35Å; L227-R231 PolarHBondContact O-N 2.96Å; E228-R231 WeakPolarHBondContact O-CB 3.24Å; E228-R231 PolarHBondContact O-N 3.35Å; E228-R231 VanDerWaalsContact O-N 3.1Å; E228-R231 IonicContact OE1-CZ 3.13Å; E228-R231 IonicContact OE1-NE 3.43Å; E228-R231 PolarHBondContact OE1-NE 3.45Å; E228-R231 IonicContact OE1-NH2 2.67Å; E228-R231 PolarHBondContact OE1-NH2 3.09Å; E228-R231 IonicContact OE2-CZ 3.62Å; E228-R231 IonicContact OE2-NE 3.05Å; E228-R231 PolarHBondContact OE2-NE 3.35Å; E228-R231 IonicContact OE2-NH2 3.89Å; V229-R231 VanDerWaalsContact C-N 3.32Å; V229-R231 PolarHBondContact O-N 3.03Å; R231-R234 PolarHBondContact O-N 3.37Å; R231-L235 PolarHBondContact O-N 3.1Å
232L96.5Very high93.1Very high0 Ų065.6 Ų65.60%030%0.303CS..Hα-helixtrans-60.5-47.5-179.8-72.1165.5000111.5E205 K208 F209 L212 E228 V229 R234 L235 F236E205-L232 HydrophobicContact CB-CD2 4.09Å; E205-L232 WeakPolarHBondContact O-CD2 3.41Å; E205-L232 WeakPolarHBondContact OE2-CD2 3.49Å; K208-L232 HydrophobicContact CB-CD1 4.07Å; K208-L232 HydrophobicContact CB-CD2 4.27Å; F209-L232 HydrophobicContact CB-CD1 4Å; F209-L232 HydrophobicContact CD2-CB 4.3Å; F209-L232 HydrophobicContact CD2-CD1 4.49Å; L212-L232 HydrophobicContact CD1-CD1 4.13Å; E228-L232 HydrophobicContact CG-CD1 3.96Å; E228-L232 WeakPolarHBondContact O-CB 3.35Å; E228-L232 WeakPolarHBondContact O-CG 3.48Å; E228-L232 PolarHBondContact O-N 3.41Å; V229-L232 PolarHBondContact O-N 3.03Å; L232-R234 VanDerWaalsContact C-N 3.33Å; L232-R234 PolarHBondContact O-N 3.41Å; L232-L235 WeakPolarHBondContact O-CB 3.48Å; L232-L235 PolarHBondContact O-N 3.03Å; L232-L235 VanDerWaalsContact O-N 3.08Å; L232-F236 HydrophobicContact CB-CD2 4.45Å; L232-F236 HydrophobicContact CB-CE2 4.26Å; L232-F236 HydrophobicContact CD2-CE2 4.35Å; L232-F236 WeakPolarHBondContact O-CD2 3.04Å; L232-F236 PolarHBondContact O-N 3.08Å
233Q95.2Very high93.1Very high35 Ų3562.1 Ų62.116%0.16430%0.302CS..Hα-helixtrans-54.7-47.2175.2-78.1176.1-26.500111.9V110 V229 L235 F236 H237 F277V110-Q233 PolarHBondContact O-NE2 3.44Å; V229-Q233 HydrophobicContact CG1-CG 4.31Å; V229-Q233 WeakPolarHBondContact O-CB 3.5Å; V229-Q233 VanDerWaalsContact O-CG 3.32Å; V229-Q233 WeakPolarHBondContact O-CG 3.23Å; V229-Q233 PolarHBondContact O-N 2.89Å; Q233-L235 VanDerWaalsContact C-N 3.32Å; Q233-L235 PolarHBondContact O-N 3.44Å; Q233-F236 PolarHBondContact O-N 3.35Å; Q233-H237 PolarHBondContact O-CD2 3.31Å; Q233-H237 VanDerWaalsContact O-CD2 3.29Å; Q233-H237 PolarHBondContact O-CE1 2.89Å; Q233-H237 PolarHBondContact O-N 3.35Å; Q233-H237 PolarHBondContact O-ND1 3.31Å; Q233-H237 VanDerWaalsContact O-ND1 3.12Å; Q233-H237 PolarHBondContact O-NE2 2.97Å; Q233-F277 HydrophobicContact CG-CE1 4.03Å
234R95.4Very high92.8Very high164 Ų16459.5 Ų59.562%0.61928%0.281SS*.Hα-helixtrans-62.1-39.4177-73.7-173.4-63.9-85.82.4112.4G230 R231 L232 K238G230-R234 WeakPolarHBondContact O-CG 3.42Å; G230-R234 PolarHBondContact O-N 2.84Å; G230-R234 PolarHBondContact O-NH1 3.03Å; G230-R234 VanDerWaalsContact O-NH1 3.11Å; R231-R234 PolarHBondContact O-N 3.37Å; L232-R234 VanDerWaalsContact C-N 3.33Å; L232-R234 PolarHBondContact O-N 3.41Å; R234-K238 PolarHBondContact O-N 3.09Å; R234-K238 VanDerWaalsContact O-N 3.14Å
235L95.6Very high92.4Very high50 Ų5052.6 Ų52.626%0.26225%0.25SS..Hα-helixtrans-61.6-51.1175.7-178.6149.9000110.7L202 E205 R231 L232 Q233 H237 K238 M239L202-L235 HydrophobicContact CD1-CD2 4.25Å; E205-L235 HydrophobicContact CB-CD2 4.13Å; E205-L235 HydrophobicContact CG-CD1 3.94Å; E205-L235 HydrophobicContact CG-CD2 4.22Å; R231-L235 PolarHBondContact O-N 3.1Å; L232-L235 WeakPolarHBondContact O-CB 3.48Å; L232-L235 PolarHBondContact O-N 3.03Å; L232-L235 VanDerWaalsContact O-N 3.08Å; Q233-L235 VanDerWaalsContact C-N 3.32Å; Q233-L235 PolarHBondContact O-N 3.44Å; L235-H237 PolarHBondContact O-N 3.28Å; L235-K238 WeakPolarHBondContact O-CB 3.2Å; L235-K238 PolarHBondContact O-N 2.89Å; L235-K238 VanDerWaalsContact O-N 3.15Å; L235-M239 HydrophobicContact CD2-CG 4.02Å; L235-M239 HydrophobicContact CG-CG 4.37Å; L235-M239 WeakPolarHBondContact O-CG 3.26Å; L235-M239 PolarHBondContact O-N 3.35Å
236F95.8Very high91.7Very high0 Ų058.6 Ų58.60%028%0.279CS..Hα-helixtrans-63.2-41.2179.6-73.5-66.2000112.8L202 E205 F206 F209 L232 Q233 K238 M239 L240 F277 L280L202-F236 HydrophobicContact CD1-CD1 3.69Å; L202-F236 HydrophobicContact CD1-CE1 3.4Å; L202-F236 HydrophobicContact CD1-CZ 4.46Å; L202-F236 HydrophobicContact CG-CE1 3.99Å; E205-F236 HydrophobicContact CB-CZ 4.12Å; F206-F236 HydrophobicContact CB-CE1 4.38Å; F206-F236 HydrophobicContact CB-CZ 4.07Å; F206-F236 HydrophobicContact CD2-CZ 4.49Å; F209-F236 HydrophobicContact CB-CE2 4.05Å; F209-F236 HydrophobicContact CG-CE2 4.48Å; L232-F236 HydrophobicContact CB-CD2 4.45Å; L232-F236 HydrophobicContact CB-CE2 4.26Å; L232-F236 HydrophobicContact CD2-CE2 4.35Å; L232-F236 WeakPolarHBondContact O-CD2 3.04Å; L232-F236 PolarHBondContact O-N 3.08Å; Q233-F236 PolarHBondContact O-N 3.35Å; F236-K238 PolarHBondContact O-N 2.86Å; F236-M239 PolarHBondContact O-N 3.43Å; F236-L240 HydrophobicContact CB-CD1 4.3Å; F236-L240 HydrophobicContact CD1-CD1 4.28Å; F236-L240 VanDerWaalsContact O-CB 3.24Å; F236-L240 WeakPolarHBondContact O-CB 3.29Å; F236-L240 WeakPolarHBondContact O-CG 3.36Å; F236-L240 PolarHBondContact O-N 2.93Å; F236-F277 HydrophobicContact CB-CB 4.1Å; F236-F277 HydrophobicContact CB-CD1 4Å; F236-F277 HydrophobicContact CB-CD2 3.41Å; F236-F277 VanDerWaalsContact CB-CD2 3.41Å; F236-F277 HydrophobicContact CB-CE1 4.3Å; F236-F277 HydrophobicContact CB-CE2 3.77Å; F236-F277 HydrophobicContact CB-CG 3.56Å; F236-F277 HydrophobicContact CB-CZ 4.2Å; F236-F277 AromaticContact CD1-CD2 3.91Å; F236-F277 HydrophobicContact CD1-CD2 3.91Å; F236-F277 AromaticContact CD1-CE2 3.9Å; F236-F277 HydrophobicContact CD1-CE2 3.9Å; F236-F277 AromaticContact CD2-CD2 3.84Å; F236-F277 HydrophobicContact CD2-CD2 3.84Å; F236-F277 HydrophobicContact CD2-CE1 4.11Å; F236-F277 AromaticContact CD2-CE2 3.23Å; F236-F277 HydrophobicContact CD2-CE2 3.23Å; F236-F277 AromaticContact CD2-CZ 3.38Å; F236-F277 HydrophobicContact CD2-CZ 3.38Å; F236-F277 HydrophobicContact CE1-CE2 4.35Å; F236-F277 AromaticContact CE2-CE2 3.78Å; F236-F277 HydrophobicContact CE2-CE2 3.78Å; F236-F277 AromaticContact CE2-CZ 3.99Å; F236-F277 HydrophobicContact CE2-CZ 3.99Å; F236-F277 AromaticContact CG-CD2 3.44Å; F236-F277 HydrophobicContact CG-CD2 3.44Å; F236-F277 VanDerWaalsContact CG-CD2 3.44Å; F236-F277 HydrophobicContact CG-CE1 4.47Å; F236-F277 AromaticContact CG-CE2 3.33Å; F236-F277 HydrophobicContact CG-CE2 3.33Å; F236-F277 HydrophobicContact CG-CG 4.1Å; F236-F277 AromaticContact CG-CZ 3.89Å; F236-F277 HydrophobicContact CG-CZ 3.89Å; F236-F277 HydrophobicContact CZ-CE2 4.32Å; F236-L280 HydrophobicContact CD1-CD2 4.09Å; F236-L280 HydrophobicContact CE1-CD2 4.11Å
237H94.7Very high91.4Very high35 Ų3559 Ų5916%0.16229%0.285CS..Hα-helixtrans-61.8-34.6176.3-57.9154.8000112.1Q233 L235 S241 D273 F277Q233-H237 PolarHBondContact O-CD2 3.31Å; Q233-H237 VanDerWaalsContact O-CD2 3.29Å; Q233-H237 PolarHBondContact O-CE1 2.89Å; Q233-H237 PolarHBondContact O-N 3.35Å; Q233-H237 PolarHBondContact O-ND1 3.31Å; Q233-H237 VanDerWaalsContact O-ND1 3.12Å; Q233-H237 PolarHBondContact O-NE2 2.97Å; L235-H237 PolarHBondContact O-N 3.28Å; H237-S241 WeakPolarHBondContact O-CB 3.42Å; H237-S241 PolarHBondContact O-N 3.1Å; H237-D273 HydrophobicContact CB-CB 4.28Å; H237-F277 AromaticContact NE2-CD1 3.83Å
238K93.4Very high91.1Very high161 Ų16153.6 Ų53.670%0.726%0.256SS*.Hα-helixtrans-70.7-51.7175.8-175.1-175.6176.4-170.70111.3R234 L235 F236 L240 S241R234-K238 PolarHBondContact O-N 3.09Å; R234-K238 VanDerWaalsContact O-N 3.14Å; L235-K238 WeakPolarHBondContact O-CB 3.2Å; L235-K238 PolarHBondContact O-N 2.89Å; L235-K238 VanDerWaalsContact O-N 3.15Å; F236-K238 PolarHBondContact O-N 2.86Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.25Å; K238-S241 WeakPolarHBondContact O-CB 3.4Å; K238-S241 PolarHBondContact O-N 2.98Å; K238-S241 PolarHBondContact O-OG 3.32Å
239M90.9Very high90.9Very high49 Ų4957.4 Ų57.424%0.24127%0.274CS..Hα-helixtrans-65.9-33.2-176.2-67.9-59.9-63.500112.7L202 L235 F236L202-M239 HydrophobicContact CD1-CB 4.16Å; L202-M239 HydrophobicContact CD1-CG 4.27Å; L235-M239 HydrophobicContact CD2-CG 4.02Å; L235-M239 HydrophobicContact CG-CG 4.37Å; L235-M239 WeakPolarHBondContact O-CG 3.26Å; L235-M239 PolarHBondContact O-N 3.35Å; F236-M239 PolarHBondContact O-N 3.43Å
240L93.1Very high90.6Very high3 Ų360 Ų602%0.01630%0.301CS..THydrogen-bonded Turntrans-102.521.8-179.1-56169.8000112.3Y182 F186 F236 K238 N276 F277 L280Y182-L240 HydrophobicContact CE2-CD2 3.78Å; F186-L240 HydrophobicContact CD1-CD2 4.08Å; F186-L240 HydrophobicContact CE1-CD2 4.07Å; F236-L240 HydrophobicContact CB-CD1 4.3Å; F236-L240 HydrophobicContact CD1-CD1 4.28Å; F236-L240 VanDerWaalsContact O-CB 3.24Å; F236-L240 WeakPolarHBondContact O-CB 3.29Å; F236-L240 WeakPolarHBondContact O-CG 3.36Å; F236-L240 PolarHBondContact O-N 2.93Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.25Å; L240-N276 HydrophobicContact CB-CB 3.88Å; L240-N276 PolarHBondContact O-ND2 3Å; L240-F277 HydrophobicContact CD1-CB 4Å; L240-F277 HydrophobicContact CD1-CD2 4.29Å; L240-L280 HydrophobicContact CD1-CB 4.03Å; L240-L280 HydrophobicContact CD1-CD2 3.72Å; L240-L280 HydrophobicContact CD1-CG 4.49Å; L240-L280 HydrophobicContact CD2-CD2 4.35Å
241S93.6Very high90.6Very high14 Ų1460.8 Ų60.810%0.09830%0.302CS..  trans-64.6145-177.860.90000111.5H237 K238 S243 H244 S245 D273H237-S241 WeakPolarHBondContact O-CB 3.42Å; H237-S241 PolarHBondContact O-N 3.1Å; K238-S241 WeakPolarHBondContact O-CB 3.4Å; K238-S241 PolarHBondContact O-N 2.98Å; K238-S241 PolarHBondContact O-OG 3.32Å; S241-S243 PolarHBondContact O-N 3.31Å; S241-S243 PolarHBondContact OG-OG 3.27Å; S241-S243 VanDerWaalsContact OG-OG 3.1Å; S241-H244 PolarHBondContact O-N 3.33Å; S241-H244 VanDerWaalsContact O-N 3.1Å; S241-H244 WeakPolarHBondContact OG-CB 3.45Å; S241-H244 PolarHBondContact OG-N 3.25Å; S241-S245 PolarHBondContact O-N 3.31Å; S241-S245 PolarHBondContact O-OG 3.29Å; S241-D273 WeakPolarHBondContact CA-OD1 3.39Å
242V89.4Confident90.6Very high16 Ų1657.5 Ų57.510%0.09729%0.291CS..Hα-helixtrans-60.4-32.3176.5178.50000111.1S245 Q246 Q272 D273V242-S245 WeakPolarHBondContact O-CB 3.22Å; V242-S245 PolarHBondContact O-N 3.31Å; V242-Q246 PolarHBondContact O-N 3.06Å; V242-Q272 HydrophobicContact CG2-CB 3.54Å; V242-D273 PolarHBondContact N-OD1 2.87Å
243S84.6Confident90.5Very high78 Ų7861.8 Ų61.855%0.54531%0.314SS..Hα-helixtrans-61.8-45173.745.90000112.4S241 S245 Q246S241-S243 PolarHBondContact O-N 3.31Å; S241-S243 PolarHBondContact OG-OG 3.27Å; S241-S243 VanDerWaalsContact OG-OG 3.1Å; S243-S245 VanDerWaalsContact C-N 3.27Å; S243-S245 PolarHBondContact O-N 3.46Å; S243-Q246 WeakPolarHBondContact O-CB 3.39Å; S243-Q246 PolarHBondContact O-N 2.86Å
244H82.1Confident90.5Very high45 Ų4561 Ų6121%0.20831%0.309CS..Hα-helixtrans-71.2-28.7178.2-163.548.5000111.7S241 Q246 E247S241-H244 PolarHBondContact O-N 3.33Å; S241-H244 VanDerWaalsContact O-N 3.1Å; S241-H244 WeakPolarHBondContact OG-CB 3.45Å; S241-H244 PolarHBondContact OG-N 3.25Å; H244-Q246 PolarHBondContact O-N 3.43Å; H244-E247 IonicContact CE1-OE2 2.69Å; H244-E247 IonicContact ND1-OE2 2.73Å; H244-E247 PolarHBondContact ND1-OE2 3.11Å; H244-E247 PolarHBondContact O-N 3.41Å
245S82.6Confident90.4Very high18 Ų1853.3 Ų53.313%0.12628%0.28CS..Hα-helixtrans-66-21.5174.4-53.20000113S241 V242 S243 E247 K248 I251S241-S245 PolarHBondContact O-N 3.31Å; S241-S245 PolarHBondContact O-OG 3.29Å; V242-S245 WeakPolarHBondContact O-CB 3.22Å; V242-S245 PolarHBondContact O-N 3.31Å; S243-S245 VanDerWaalsContact C-N 3.27Å; S243-S245 PolarHBondContact O-N 3.46Å; S245-E247 VanDerWaalsContact C-N 3.25Å; S245-E247 PolarHBondContact O-N 3.29Å; S245-K248 PolarHBondContact O-N 3.03Å; S245-I251 WeakPolarHBondContact O-CD1 3.32Å
246Q79.3Confident90.4Very high160 Ų16053.1 Ų53.175%0.74828%0.283SS*.THydrogen-bonded Turntrans-70.4-22.2177.1-70176.8-8.600113.3V242 S243 H244 K248V242-Q246 PolarHBondContact O-N 3.06Å; S243-Q246 WeakPolarHBondContact O-CB 3.39Å; S243-Q246 PolarHBondContact O-N 2.86Å; H244-Q246 PolarHBondContact O-N 3.43Å; Q246-K248 VanDerWaalsContact C-N 3.27Å
247E83.6Confident90.3Very high125 Ų12555.6 Ų55.658%0.58430%0.296SS*.THydrogen-bonded Turntrans-84-8.7177.5-60.9172.5162.500112H244 S245H244-E247 IonicContact CE1-OE2 2.69Å; H244-E247 IonicContact ND1-OE2 2.73Å; H244-E247 PolarHBondContact ND1-OE2 3.11Å; H244-E247 PolarHBondContact O-N 3.41Å; S245-E247 VanDerWaalsContact C-N 3.25Å; S245-E247 PolarHBondContact O-N 3.29Å
248K88.2Confident90.4Very high19 Ų1954 Ų548%0.08329%0.288CS..  trans-99.6134.9-175.5-63.2-167.8171.7-158.90111.8Y182 F186 Y188 T189 S245 Q246 I251Y182-K248 PolarHBondContact OH-NZ 3.26Å; F186-K248 WeakPolarHBondContact O-CD 3.35Å; Y188-K248 CarbonylContact O-C 3.51Å; Y188-K248 VanDerWaalsContact O-CA 3.29Å; Y188-K248 WeakPolarHBondContact O-CA 3.49Å; T189-K248 HydrophobicContact CG2-CG 4.06Å; S245-K248 PolarHBondContact O-N 3.03Å; Q246-K248 VanDerWaalsContact C-N 3.27Å; K248-I251 HydrophobicContact CB-CD1 4.32Å; K248-I251 HydrophobicContact CB-CG1 4.27Å
249E89.5Confident90.5Very high137 Ų13746.7 Ų46.764%0.6426%0.257SS*.BIsolated β-bridgetrans-99.3155.8169.8-62.9178.8-169.500109.6G187 Y188 I251G187-E249 CarbonylContact C-O 3.55Å; G187-E249 WeakPolarHBondContact CA-O 3.49Å; Y188-E249 PolarHBondContact N-O 3.45Å; Y188-E249 PolarHBondContact O-N 3.07Å; E249-I251 PolarHBondContact O-N 3.43Å
250G89.7Confident90.6Very high56 Ų5648.5 Ų48.558%0.57727%0.265SS*.  trans73.720.3176.100000115.5S252G250-S252 PolarHBondContact O-N 2.94Å
251I93.6Very high90.8Very high32 Ų3250.6 Ų50.616%0.16427%0.274CS..  trans-60.1130.6169.5-59176.9000108.9S245 K248 E249 N253 L255 C256S245-I251 WeakPolarHBondContact O-CD1 3.32Å; K248-I251 HydrophobicContact CB-CD1 4.32Å; K248-I251 HydrophobicContact CB-CG1 4.27Å; E249-I251 PolarHBondContact O-N 3.43Å; I251-N253 PolarHBondContact O-N 3.29Å; I251-L255 HydrophobicContact CG2-CB 4.14Å; I251-L255 HydrophobicContact CG2-CD2 4.02Å; I251-L255 HydrophobicContact CG2-CG 4.36Å; I251-C256 VanDerWaalsContact CG2-SG 3.58Å
252S94.9Very high90.9Very high10 Ų1050 Ų507%0.0727%0.27CS..  trans-53.7139.6-17763.70000112.7L185 G250 W254 L255 C256L185-S252 PolarHBondContact O-N 3.37Å; L185-S252 PolarHBondContact O-OG 2.92Å; G250-S252 PolarHBondContact O-N 2.94Å; S252-W254 PolarHBondContact O-N 3.14Å; S252-W254 VanDerWaalsContact O-N 3.14Å; S252-L255 PolarHBondContact O-N 3.5Å; S252-L255 WeakPolarHBondContact OG-CB 3.36Å; S252-L255 PolarHBondContact OG-N 3.12Å; S252-C256 WeakPolarHBondContact O-CB 3.45Å; S252-C256 PolarHBondContact O-N 3.38Å
253N94.3Very high91.1Very high91 Ų9155.3 Ų55.349%0.48729%0.288SS..Hα-helixtrans-57-30.9175.3-75.1-34.8000112.2I251 N257I251-N253 PolarHBondContact O-N 3.29Å; N253-N257 VanDerWaalsContact O-CB 3.26Å; N253-N257 WeakPolarHBondContact O-CB 3.31Å; N253-N257 PolarHBondContact O-N 3.36Å
254W95.2Very high91.6Very high18 Ų1857.6 Ų57.67%0.06829%0.29CS..Hα-helixtrans-57.1-54.7172.4177.865.7000112S127 H130 L131 L185 S252 M258 M279S127-W254 PolarHBondContact OG-NE1 3.49Å; H130-W254 HydrophobicContact CB-CB 3.72Å; H130-W254 HydrophobicContact CB-CG 4.35Å; L131-W254 HydrophobicContact CD1-CD2 4.26Å; L131-W254 HydrophobicContact CD1-CG 4.42Å; L131-W254 HydrophobicContact CD1-CZ2 3.99Å; L131-W254 HydrophobicContact CD2-CB 4.47Å; L131-W254 HydrophobicContact CD2-CD2 4.41Å; L131-W254 HydrophobicContact CD2-CG 4.17Å; L131-W254 HydrophobicContact CG-CG 4.24Å; L185-W254 HydrophobicContact CD1-CZ3 4.44Å; L185-W254 HydrophobicContact CD2-CE3 3.86Å; L185-W254 HydrophobicContact CD2-CZ3 4.03Å; S252-W254 PolarHBondContact O-N 3.14Å; S252-W254 VanDerWaalsContact O-N 3.14Å; W254-M258 HydrophobicContact CD2-CE 3.44Å; W254-M258 VanDerWaalsContact CD2-CE 3.44Å; W254-M258 HydrophobicContact CE3-CE 3.82Å; W254-M258 HydrophobicContact CG-CE 3.95Å; W254-M258 HydrophobicContact CH2-CE 4.12Å; W254-M258 HydrophobicContact CZ2-CE 3.71Å; W254-M258 HydrophobicContact CZ3-CE 4.14Å; W254-M258 WeakPolarHBondContact O-CE 3.11Å; W254-M258 WeakPolarHBondContact O-CG 3.22Å; W254-M258 PolarHBondContact O-N 2.97Å; W254-M279 HydrophobicContact CH2-CE 3.09Å; W254-M279 HydrophobicContact CZ2-CE 3.17Å; W254-M279 HydrophobicContact CZ3-CE 4.02Å
255L95.2Very high92.2Very high2 Ų260.6 Ų60.61%0.0130%0.304CS..Hα-helixtrans-69.3-41.7-179.9-172.461.6000111.7F186 I251 S252 N257 M258 L259 F275 M279F186-L255 HydrophobicContact CD1-CD2 3.56Å; F186-L255 HydrophobicContact CE1-CD2 3.48Å; F186-L255 VanDerWaalsContact CE1-CD2 3.48Å; F186-L255 HydrophobicContact CG-CD2 4.27Å; F186-L255 HydrophobicContact CZ-CD2 4.15Å; I251-L255 HydrophobicContact CG2-CB 4.14Å; I251-L255 HydrophobicContact CG2-CD2 4.02Å; I251-L255 HydrophobicContact CG2-CG 4.36Å; S252-L255 PolarHBondContact O-N 3.5Å; S252-L255 WeakPolarHBondContact OG-CB 3.36Å; S252-L255 PolarHBondContact OG-N 3.12Å; L255-N257 VanDerWaalsContact C-N 3.31Å; L255-N257 PolarHBondContact O-N 2.87Å; L255-M258 HydrophobicContact CD1-CE 4.15Å; L255-M258 PolarHBondContact O-N 2.61Å; L255-L259 HydrophobicContact CD1-CD1 4.38Å; L255-L259 HydrophobicContact CD1-CG 4.3Å; L255-L259 HydrophobicContact CD2-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 3.93Å; L255-L259 HydrophobicContact CG-CG 4.29Å; L255-L259 WeakPolarHBondContact O-CB 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.3Å; L255-F275 HydrophobicContact CD1-CE1 4.44Å; L255-M279 HydrophobicContact CD1-CB 4.3Å; L255-M279 HydrophobicContact CD1-CG 4.17Å
256C94.4Very high92.8Very high47 Ų4762.6 Ų62.632%0.31833%0.328SS..Hα-helixtrans-55.9-44.4177.1-77.30000112.3I251 S252 L259 Q260I251-C256 VanDerWaalsContact CG2-SG 3.58Å; S252-C256 WeakPolarHBondContact O-CB 3.45Å; S252-C256 PolarHBondContact O-N 3.38Å; C256-L259 PolarHBondContact O-N 2.78Å; C256-Q260 VanDerWaalsContact O-CB 3.3Å; C256-Q260 WeakPolarHBondContact O-CB 3.41Å; C256-Q260 PolarHBondContact O-N 3.1Å
257N94.9Very high93.6Very high52 Ų5255.6 Ų55.628%0.27830%0.296SS..Hα-helixtrans-67.7-38.9-178.6-165.4-135.3000112.1N253 L255 F261N253-N257 VanDerWaalsContact O-CB 3.26Å; N253-N257 WeakPolarHBondContact O-CB 3.31Å; N253-N257 PolarHBondContact O-N 3.36Å; L255-N257 VanDerWaalsContact C-N 3.31Å; L255-N257 PolarHBondContact O-N 2.87Å; N257-F261 PolarHBondContact O-N 3.4Å
258M95.9Very high94.2Very high0 Ų054 Ų540%030%0.296CS..Hα-helixtrans-67.7-44.8175.2-62.2-172.4-75.700112M122 I123 A126 W254 L255 Q260 F261 L262 F275 M279M122-M258 HydrophobicContact CE-CB 4.27Å; M122-M258 HydrophobicContact SD-CB 3.58Å; M122-M258 VanDerWaalsContact SD-CB 3.58Å; M122-M258 HydrophobicContact SD-CG 3.43Å; M122-M258 WeakPolarHBondContact SD-CG 3.45Å; M122-M258 HydrophobicContact SD-SD 4.22Å; I123-M258 HydrophobicContact CB-SD 4.49Å; I123-M258 HydrophobicContact CG1-SD 4.12Å; I123-M258 HydrophobicContact CG2-SD 4.47Å; A126-M258 HydrophobicContact CB-CG 3.58Å; A126-M258 HydrophobicContact CB-SD 4.32Å; W254-M258 HydrophobicContact CD2-CE 3.44Å; W254-M258 VanDerWaalsContact CD2-CE 3.44Å; W254-M258 HydrophobicContact CE3-CE 3.82Å; W254-M258 HydrophobicContact CG-CE 3.95Å; W254-M258 HydrophobicContact CH2-CE 4.12Å; W254-M258 HydrophobicContact CZ2-CE 3.71Å; W254-M258 HydrophobicContact CZ3-CE 4.14Å; W254-M258 WeakPolarHBondContact O-CE 3.11Å; W254-M258 WeakPolarHBondContact O-CG 3.22Å; W254-M258 PolarHBondContact O-N 2.97Å; L255-M258 HydrophobicContact CD1-CE 4.15Å; L255-M258 PolarHBondContact O-N 2.61Å; M258-Q260 VanDerWaalsContact C-N 3.31Å; M258-Q260 PolarHBondContact O-N 3.47Å; M258-F261 PolarHBondContact O-N 2.98Å; M258-L262 WeakPolarHBondContact O-CG 3.39Å; M258-L262 PolarHBondContact O-N 3.04Å; M258-L262 VanDerWaalsContact O-N 3.1Å; M258-F275 HydrophobicContact CB-CE1 3.84Å; M258-F275 HydrophobicContact CB-CZ 3.91Å; M258-F275 HydrophobicContact CE-CE1 4.46Å; M258-F275 HydrophobicContact CG-CZ 4.46Å; M258-F275 HydrophobicContact SD-CE1 4.32Å; M258-F275 HydrophobicContact SD-CZ 3.89Å; M258-M279 HydrophobicContact CE-CE 3.72Å; M258-M279 HydrophobicContact CE-CG 4.4Å; M258-M279 HydrophobicContact CE-SD 4.43Å; M258-M279 HydrophobicContact SD-CE 4.08Å; M258-M279 HydrophobicContact SD-SD 4.49Å
259L94.7Very high94.6Very high8 Ų856.6 Ų56.64%0.04232%0.317CS..Hα-helixtrans-65.2-35.1177.4-72.8177.4000112.3L255 C256 L262 R263 Q272 F275 N276L255-L259 HydrophobicContact CD1-CD1 4.38Å; L255-L259 HydrophobicContact CD1-CG 4.3Å; L255-L259 HydrophobicContact CD2-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 3.93Å; L255-L259 HydrophobicContact CG-CG 4.29Å; L255-L259 WeakPolarHBondContact O-CB 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.3Å; C256-L259 PolarHBondContact O-N 2.78Å; L259-L262 HydrophobicContact CD2-CD1 4.41Å; L259-L262 PolarHBondContact O-N 2.79Å; L259-R263 WeakPolarHBondContact O-CG 3.08Å; L259-R263 PolarHBondContact O-N 2.86Å; L259-Q272 HydrophobicContact CD2-CB 4.21Å; L259-F275 HydrophobicContact CD2-CD1 4.18Å; L259-N276 WeakPolarHBondContact CD2-OD1 3.44Å
260Q94.8Very high94.9Very high87 Ų8753.2 Ų53.241%0.40731%0.313SS..Hα-helixtrans-60.6-49.1173.3178.5177.8-7.300111.4C256 M258 L262 R263 E264C256-Q260 VanDerWaalsContact O-CB 3.3Å; C256-Q260 WeakPolarHBondContact O-CB 3.41Å; C256-Q260 PolarHBondContact O-N 3.1Å; M258-Q260 VanDerWaalsContact C-N 3.31Å; M258-Q260 PolarHBondContact O-N 3.47Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 2.98Å; Q260-R263 WeakPolarHBondContact O-CB 3.35Å; Q260-R263 PolarHBondContact O-N 3.11Å; Q260-R263 VanDerWaalsContact O-N 3.12Å; Q260-E264 HydrophobicContact CG-CG 4.48Å; Q260-E264 VanDerWaalsContact CG-OE1 3.31Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.24Å; Q260-E264 PolarHBondContact NE2-OE1 3.23Å; Q260-E264 WeakPolarHBondContact O-CG 3.39Å; Q260-E264 PolarHBondContact O-N 3.31Å
261F95.7Very high95.2Very high48 Ų4852.4 Ų52.421%0.21129%0.294CS..Hα-helixtrans-56.6-44.7176.3174.1-90.9000111.8V116 M122 N257 M258 R263 E264 Q265V116-F261 HydrophobicContact CG2-CE1 4.46Å; M122-F261 HydrophobicContact CB-CD1 4.05Å; M122-F261 HydrophobicContact CB-CD2 4.39Å; M122-F261 HydrophobicContact CB-CE1 4.04Å; M122-F261 HydrophobicContact CB-CE2 4.39Å; M122-F261 HydrophobicContact CB-CG 4.22Å; M122-F261 HydrophobicContact CB-CZ 4.22Å; M122-F261 HydrophobicContact CE-CD1 3.83Å; M122-F261 HydrophobicContact CE-CE1 4.33Å; M122-F261 HydrophobicContact CG-CB 3.81Å; M122-F261 HydrophobicContact CG-CD1 3.59Å; M122-F261 HydrophobicContact CG-CD2 4.05Å; M122-F261 HydrophobicContact CG-CE1 4.11Å; M122-F261 HydrophobicContact CG-CG 3.54Å; M122-F261 HydrophobicContact SD-CD1 4.41Å; N257-F261 PolarHBondContact O-N 3.4Å; M258-F261 PolarHBondContact O-N 2.98Å; F261-R263 VanDerWaalsContact C-N 3.31Å; F261-R263 PolarHBondContact O-N 3.49Å; F261-E264 PolarHBondContact O-N 3.39Å; F261-Q265 HydrophobicContact CD1-CG 4.13Å; F261-Q265 HydrophobicContact CE1-CG 3.72Å; F261-Q265 HydrophobicContact CE2-CG 4.2Å; F261-Q265 HydrophobicContact CZ-CG 3.75Å; F261-Q265 WeakPolarHBondContact O-CG 3.47Å; F261-Q265 PolarHBondContact O-N 2.94Å
262L95.7Very high95.3Very high0 Ų051.2 Ų51.20%029%0.288CS..Hα-helixtrans-62-38.7178.2-65.7177.5000112.2Y113 V116 M122 M258 L259 Q260 Q265 G266 V267 Q272 F275Y113-L262 VanDerWaalsContact OH-CD2 3.31Å; Y113-L262 WeakPolarHBondContact OH-CD2 3.43Å; V116-L262 HydrophobicContact CG2-CD2 4.28Å; M122-L262 HydrophobicContact CE-CD2 4.24Å; M122-L262 HydrophobicContact CE-CG 4.4Å; M258-L262 WeakPolarHBondContact O-CG 3.39Å; M258-L262 PolarHBondContact O-N 3.04Å; M258-L262 VanDerWaalsContact O-N 3.1Å; L259-L262 HydrophobicContact CD2-CD1 4.41Å; L259-L262 PolarHBondContact O-N 2.79Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 2.98Å; L262-Q265 PolarHBondContact O-N 3.28Å; L262-G266 PolarHBondContact O-N 3.28Å; L262-V267 HydrophobicContact CB-CB 4.14Å; L262-V267 HydrophobicContact CB-CG2 4.3Å; L262-V267 HydrophobicContact CD2-CG2 4.08Å; L262-V267 VanDerWaalsContact O-CB 3.23Å; L262-V267 WeakPolarHBondContact O-CB 3.4Å; L262-V267 WeakPolarHBondContact O-CG2 3.38Å; L262-V267 PolarHBondContact O-N 3.29Å; L262-Q272 HydrophobicContact CB-CG 4.15Å; L262-Q272 HydrophobicContact CD1-CG 4.38Å; L262-F275 HydrophobicContact CD1-CB 3.98Å; L262-F275 HydrophobicContact CD1-CD1 3.67Å; L262-F275 HydrophobicContact CD1-CD2 3.84Å; L262-F275 HydrophobicContact CD1-CE1 4.06Å; L262-F275 HydrophobicContact CD1-CE2 4.2Å; L262-F275 HydrophobicContact CD1-CG 3.55Å; L262-F275 HydrophobicContact CD1-CZ 4.31Å
263R94.5Very high95.4Very high128 Ų12851.9 Ų51.948%0.48329%0.291SS..Hα-helixtrans-63.8-44.1173.9-72.8-172.5-62.7-93.55.9112.1L259 Q260 F261 Q265 G266L259-R263 WeakPolarHBondContact O-CG 3.08Å; L259-R263 PolarHBondContact O-N 2.86Å; Q260-R263 WeakPolarHBondContact O-CB 3.35Å; Q260-R263 PolarHBondContact O-N 3.11Å; Q260-R263 VanDerWaalsContact O-N 3.12Å; F261-R263 VanDerWaalsContact C-N 3.31Å; F261-R263 PolarHBondContact O-N 3.49Å; R263-Q265 VanDerWaalsContact C-N 3.26Å; R263-Q265 PolarHBondContact O-N 3.17Å; R263-G266 PolarHBondContact O-N 3.21Å
264E95.1Very high95.5Very high127 Ų12750.2 Ų50.259%0.59328%0.279SS*.Hα-helixtrans-63.8-32.2178.2-70.6169.8-175.500112.2Q260 F261 G266Q260-E264 HydrophobicContact CG-CG 4.48Å; Q260-E264 VanDerWaalsContact CG-OE1 3.31Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.24Å; Q260-E264 PolarHBondContact NE2-OE1 3.23Å; Q260-E264 WeakPolarHBondContact O-CG 3.39Å; Q260-E264 PolarHBondContact O-N 3.31Å; F261-E264 PolarHBondContact O-N 3.39Å; E264-G266 PolarHBondContact O-N 2.91Å
265Q95.4Very high95.5Very high107 Ų10749.3 Ų49.350%0.528%0.276SS..THydrogen-bonded Turntrans-78.43.2172.4-66.1-58.3-56.600113.9F261 L262 R263 V267F261-Q265 HydrophobicContact CD1-CG 4.13Å; F261-Q265 HydrophobicContact CE1-CG 3.72Å; F261-Q265 HydrophobicContact CE2-CG 4.2Å; F261-Q265 HydrophobicContact CZ-CG 3.75Å; F261-Q265 WeakPolarHBondContact O-CG 3.47Å; F261-Q265 PolarHBondContact O-N 2.94Å; L262-Q265 PolarHBondContact O-N 3.28Å; R263-Q265 VanDerWaalsContact C-N 3.26Å; R263-Q265 PolarHBondContact O-N 3.17Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 HydrophobicContact CB-CG2 4.14Å; Q265-V267 PolarHBondContact O-N 2.79Å
266G95.1Very high95.6Very high61 Ų6149.2 Ų49.263%0.62928%0.275SS*.THydrogen-bonded Turntrans6923179.800000114L262 R263 E264 P268L262-G266 PolarHBondContact O-N 3.28Å; R263-G266 PolarHBondContact O-N 3.21Å; E264-G266 PolarHBondContact O-N 2.91Å; G266-P268 WeakPolarHBondContact O-CD 3.21Å
267V96.1Very high95.7Very high12 Ų1247 Ų477%0.07326%0.26CS..  trans-68.8124.71791780000109.5V116 L262 Q265 M271 Q272V116-V267 HydrophobicContact CG1-CG2 3.82Å; V116-V267 HydrophobicContact CG2-CG2 4.21Å; L262-V267 HydrophobicContact CB-CB 4.14Å; L262-V267 HydrophobicContact CB-CG2 4.3Å; L262-V267 HydrophobicContact CD2-CG2 4.08Å; L262-V267 VanDerWaalsContact O-CB 3.23Å; L262-V267 WeakPolarHBondContact O-CB 3.4Å; L262-V267 WeakPolarHBondContact O-CG2 3.38Å; L262-V267 PolarHBondContact O-N 3.29Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 HydrophobicContact CB-CG2 4.14Å; Q265-V267 PolarHBondContact O-N 2.79Å; V267-M271 HydrophobicContact CG1-CB 3.64Å; V267-M271 HydrophobicContact CG1-CG 3.83Å; V267-Q272 HydrophobicContact CG1-CG 4.12Å; V267-Q272 PolarHBondContact O-NE2 3.4Å
268P96Very high95.7Very high91 Ų9145.3 Ų45.359%0.59125%0.251SS*.  trans-61.2149.3-179-24.233.8000113G266 A270 M271 Q272G266-P268 WeakPolarHBondContact O-CD 3.21Å; P268-A270 VanDerWaalsContact C-N 3.29Å; P268-A270 PolarHBondContact O-N 2.94Å; P268-M271 WeakPolarHBondContact O-CA 3.46Å; P268-M271 WeakPolarHBondContact O-CB 3.45Å; P268-M271 PolarHBondContact O-N 2.8Å; P268-Q272 PolarHBondContact O-N 2.98Å; P268-Q272 VanDerWaalsContact O-N 3.14Å
269S95.4Very high95.7Very high74 Ų7445.7 Ų45.752%0.51725%0.253SS..Hα-helixtrans-53.8-42.9-179.1-480000112.8M271 Q272 D273S269-M271 PolarHBondContact O-N 3.5Å; S269-Q272 CarbonylContact O-C 3.56Å; S269-Q272 WeakPolarHBondContact O-CA 3.26Å; S269-Q272 WeakPolarHBondContact O-CB 3.32Å; S269-Q272 PolarHBondContact O-N 3.43Å; S269-D273 PolarHBondContact O-N 3.21Å; S269-D273 VanDerWaalsContact O-OD1 3.13Å
270A95.4Very high95.8Very high66 Ų6645.3 Ų45.355%0.54525%0.251SS..Hα-helixtrans-60.3-20.617700000114.3P268 K274P268-A270 VanDerWaalsContact C-N 3.29Å; P268-A270 PolarHBondContact O-N 2.94Å; A270-K274 WeakPolarHBondContact O-CG 3.49Å
271M96.3Very high95.8Very high40 Ų4043.3 Ų43.320%0.19724%0.24CC..Hα-helixtrans-89.4-32.7172.6-165.664.961.200111.4Y113 R114 V267 P268 S269 D273 K274 F275Y113-M271 HydrophobicContact CD2-CG 3.86Å; Y113-M271 WeakPolarHBondContact CD2-O 3.4Å; Y113-M271 HydrophobicContact CD2-SD 3.95Å; Y113-M271 HydrophobicContact CE2-CG 3.91Å; R114-M271 HydrophobicContact CB-CE 4.11Å; R114-M271 HydrophobicContact CB-SD 4.03Å; R114-M271 PolarHBondContact N-SD 3.34Å; V267-M271 HydrophobicContact CG1-CB 3.64Å; V267-M271 HydrophobicContact CG1-CG 3.83Å; P268-M271 WeakPolarHBondContact O-CA 3.46Å; P268-M271 WeakPolarHBondContact O-CB 3.45Å; P268-M271 PolarHBondContact O-N 2.8Å; S269-M271 PolarHBondContact O-N 3.5Å; M271-D273 VanDerWaalsContact C-N 3.33Å; M271-K274 WeakPolarHBondContact O-CB 3.45Å; M271-K274 PolarHBondContact O-N 3.28Å; M271-K274 HydrophobicContact SD-CD 3.98Å; M271-F275 PolarHBondContact O-N 2.88Å; M271-F275 VanDerWaalsContact O-N 3.07Å
272Q96.3Very high95.7Very high6 Ų643.5 Ų43.53%0.02825%0.25CC..Hα-helixtrans-64.9-35.7170.9-62178.645.700111.6V242 L259 L262 V267 P268 S269 K274 F275 N276V242-Q272 HydrophobicContact CG2-CB 3.54Å; L259-Q272 HydrophobicContact CD2-CB 4.21Å; L262-Q272 HydrophobicContact CB-CG 4.15Å; L262-Q272 HydrophobicContact CD1-CG 4.38Å; V267-Q272 HydrophobicContact CG1-CG 4.12Å; V267-Q272 PolarHBondContact O-NE2 3.4Å; P268-Q272 PolarHBondContact O-N 2.98Å; P268-Q272 VanDerWaalsContact O-N 3.14Å; S269-Q272 CarbonylContact O-C 3.56Å; S269-Q272 WeakPolarHBondContact O-CA 3.26Å; S269-Q272 WeakPolarHBondContact O-CB 3.32Å; S269-Q272 PolarHBondContact O-N 3.43Å; Q272-K274 VanDerWaalsContact C-N 3.28Å; Q272-K274 PolarHBondContact O-N 3.29Å; Q272-F275 CarbonylContact O-C 3.59Å; Q272-F275 WeakPolarHBondContact O-CA 3.48Å; Q272-F275 VanDerWaalsContact O-CB 3.28Å; Q272-F275 WeakPolarHBondContact O-CB 3.37Å; Q272-F275 PolarHBondContact O-N 3.28Å; Q272-F275 VanDerWaalsContact O-N 3.08Å; Q272-N276 PolarHBondContact O-N 2.94Å
273D96.1Very high95.6Very high25 Ų2544.4 Ų44.413%0.13426%0.257CS..Hα-helixtrans-60.3-39.5174.9-57-18.7000111.6H237 S241 V242 S269 M271 N276 F277H237-D273 HydrophobicContact CB-CB 4.28Å; S241-D273 WeakPolarHBondContact CA-OD1 3.39Å; V242-D273 PolarHBondContact N-OD1 2.87Å; S269-D273 PolarHBondContact O-N 3.21Å; S269-D273 VanDerWaalsContact O-OD1 3.13Å; M271-D273 VanDerWaalsContact C-N 3.33Å; D273-N276 PolarHBondContact O-N 3.41Å; D273-F277 PolarHBondContact O-N 3.48Å; D273-F277 VanDerWaalsContact O-N 3.12Å
274K96.8Very high95.5Very high55 Ų5538.4 Ų38.424%0.23923%0.234CC..Hα-helixtrans-69.5-35.5175-60178.6177.9-179.60112.2G112 Y113 A270 M271 Q272 F277 M278G112-K274 WeakPolarHBondContact O-CD 3.46Å; G112-K274 PolarHBondContact O-NZ 3.48Å; G112-K274 VanDerWaalsContact O-NZ 3.11Å; Y113-K274 HydrophobicContact CD2-CB 4.41Å; A270-K274 WeakPolarHBondContact O-CG 3.49Å; M271-K274 WeakPolarHBondContact O-CB 3.45Å; M271-K274 PolarHBondContact O-N 3.28Å; M271-K274 HydrophobicContact SD-CD 3.98Å; Q272-K274 VanDerWaalsContact C-N 3.28Å; Q272-K274 PolarHBondContact O-N 3.29Å; K274-F277 PolarHBondContact O-N 3.01Å; K274-M278 PolarHBondContact O-N 2.87Å
275F96.6Very high95.2Very high0 Ų032.6 Ų32.60%021%0.209CC..Hα-helixtrans-62.4-47.3172.6-177.7-94.9000110.7Y113 M122 I123 L255 M258 L259 L262 M271 Q272 F277 M278 M279Y113-F275 HydrophobicContact CD2-CB 3.83Å; Y113-F275 HydrophobicContact CD2-CD2 4.4Å; Y113-F275 AromaticContact CE1-CD2 3.94Å; Y113-F275 HydrophobicContact CE1-CD2 3.94Å; Y113-F275 HydrophobicContact CE2-CB 3.65Å; Y113-F275 AromaticContact CE2-CD2 3.82Å; Y113-F275 HydrophobicContact CE2-CD2 3.82Å; Y113-F275 HydrophobicContact CE2-CG 4.19Å; Y113-F275 AromaticContact CZ-CD2 3.54Å; M122-F275 HydrophobicContact CE-CE2 4.27Å; M122-F275 HydrophobicContact CE-CZ 4.15Å; I123-F275 HydrophobicContact CD1-CE2 4.05Å; I123-F275 HydrophobicContact CD1-CZ 4.47Å; I123-F275 HydrophobicContact CG1-CE2 4.27Å; I123-F275 HydrophobicContact CG1-CZ 4.26Å; L255-F275 HydrophobicContact CD1-CE1 4.44Å; M258-F275 HydrophobicContact CB-CE1 3.84Å; M258-F275 HydrophobicContact CB-CZ 3.91Å; M258-F275 HydrophobicContact CE-CE1 4.46Å; M258-F275 HydrophobicContact CG-CZ 4.46Å; M258-F275 HydrophobicContact SD-CE1 4.32Å; M258-F275 HydrophobicContact SD-CZ 3.89Å; L259-F275 HydrophobicContact CD2-CD1 4.18Å; L262-F275 HydrophobicContact CD1-CB 3.98Å; L262-F275 HydrophobicContact CD1-CD1 3.67Å; L262-F275 HydrophobicContact CD1-CD2 3.84Å; L262-F275 HydrophobicContact CD1-CE1 4.06Å; L262-F275 HydrophobicContact CD1-CE2 4.2Å; L262-F275 HydrophobicContact CD1-CG 3.55Å; L262-F275 HydrophobicContact CD1-CZ 4.31Å; M271-F275 PolarHBondContact O-N 2.88Å; M271-F275 VanDerWaalsContact O-N 3.07Å; Q272-F275 CarbonylContact O-C 3.59Å; Q272-F275 WeakPolarHBondContact O-CA 3.48Å; Q272-F275 VanDerWaalsContact O-CB 3.28Å; Q272-F275 WeakPolarHBondContact O-CB 3.37Å; Q272-F275 PolarHBondContact O-N 3.28Å; Q272-F275 VanDerWaalsContact O-N 3.08Å; F275-F277 VanDerWaalsContact C-N 3.29Å; F275-F277 PolarHBondContact O-N 2.9Å; F275-M278 HydrophobicContact CD2-CE 3.41Å; F275-M278 VanDerWaalsContact CD2-CE 3.41Å; F275-M278 HydrophobicContact CE2-CE 3.41Å; F275-M278 VanDerWaalsContact CE2-CE 3.41Å; F275-M278 HydrophobicContact CG-CE 4.28Å; F275-M278 HydrophobicContact CZ-CE 4.26Å; F275-M278 WeakPolarHBondContact O-CA 3.34Å; F275-M278 WeakPolarHBondContact O-CB 3.27Å; F275-M278 PolarHBondContact O-N 3.06Å; F275-M278 VanDerWaalsContact O-N 3.09Å; F275-M279 HydrophobicContact CD1-CG 3.8Å; F275-M279 HydrophobicContact CE1-CG 3.45Å; F275-M279 VanDerWaalsContact CE1-CG 3.45Å; F275-M279 HydrophobicContact CE1-SD 3.93Å; F275-M279 HydrophobicContact CE2-CG 4.48Å; F275-M279 HydrophobicContact CE2-SD 4.06Å; F275-M279 HydrophobicContact CG-CG 4.44Å; F275-M279 HydrophobicContact CZ-CG 3.83Å; F275-M279 HydrophobicContact CZ-SD 3.64Å; F275-M279 WeakPolarHBondContact O-CG 3.48Å; F275-M279 PolarHBondContact O-N 3.49Å
276N96.4Very high94.9Very high0 Ų032.1 Ų32.10%021%0.209CC..Hα-helixtrans-57.1-42.5175.8-77.5-17.3000112.2F186 L240 L259 Q272 D273 M278 M279 L280F186-N276 HydrophobicContact CE1-CB 4.15Å; L240-N276 HydrophobicContact CB-CB 3.88Å; L240-N276 PolarHBondContact O-ND2 3Å; L259-N276 WeakPolarHBondContact CD2-OD1 3.44Å; Q272-N276 PolarHBondContact O-N 2.94Å; D273-N276 PolarHBondContact O-N 3.41Å; N276-M278 PolarHBondContact O-N 3.12Å; N276-M279 PolarHBondContact O-N 3.44Å; N276-L280 PolarHBondContact O-N 3.22Å
277F96.6Very high94.5Very high0 Ų029.6 Ų29.60%018%0.182CC..Hα-helixtrans-62.1-42.8175.1178.9-142.8000112.8F111 F209 Q233 F236 H237 L240 D273 K274 F275 M279 L280 W281F111-F277 AromaticContact CD1-CD1 3.73Å; F111-F277 HydrophobicContact CD1-CD1 3.73Å; F111-F277 AromaticContact CD1-CE1 3.78Å; F111-F277 HydrophobicContact CD1-CE1 3.78Å; F111-F277 HydrophobicContact CD1-CG 4.22Å; F111-F277 HydrophobicContact CD1-CZ 4.33Å; F111-F277 HydrophobicContact CE1-CD1 4.46Å; F111-F277 HydrophobicContact CE1-CE1 4.25Å; F111-F277 HydrophobicContact CE1-CZ 4.36Å; F209-F277 HydrophobicContact CD1-CE2 4.27Å; F209-F277 AromaticContact CD1-CZ 3.76Å; F209-F277 HydrophobicContact CD1-CZ 3.76Å; F209-F277 AromaticContact CD2-CZ 3.89Å; F209-F277 HydrophobicContact CD2-CZ 3.89Å; F209-F277 HydrophobicContact CE1-CE1 4.32Å; F209-F277 HydrophobicContact CE1-CE2 4.26Å; F209-F277 AromaticContact CE1-CZ 3.56Å; F209-F277 HydrophobicContact CE1-CZ 3.56Å; F209-F277 HydrophobicContact CE2-CE1 4.01Å; F209-F277 AromaticContact CE2-CZ 3.71Å; F209-F277 HydrophobicContact CE2-CZ 3.71Å; F209-F277 AromaticContact CG-CZ 3.91Å; F209-F277 HydrophobicContact CG-CZ 3.91Å; F209-F277 AromaticContact CZ-CE1 3.88Å; F209-F277 HydrophobicContact CZ-CE1 3.88Å; F209-F277 AromaticContact CZ-CZ 3.53Å; F209-F277 HydrophobicContact CZ-CZ 3.53Å; Q233-F277 HydrophobicContact CG-CE1 4.03Å; F236-F277 HydrophobicContact CB-CB 4.1Å; F236-F277 HydrophobicContact CB-CD1 4Å; F236-F277 HydrophobicContact CB-CD2 3.41Å; F236-F277 VanDerWaalsContact CB-CD2 3.41Å; F236-F277 HydrophobicContact CB-CE1 4.3Å; F236-F277 HydrophobicContact CB-CE2 3.77Å; F236-F277 HydrophobicContact CB-CG 3.56Å; F236-F277 HydrophobicContact CB-CZ 4.2Å; F236-F277 AromaticContact CD1-CD2 3.91Å; F236-F277 HydrophobicContact CD1-CD2 3.91Å; F236-F277 AromaticContact CD1-CE2 3.9Å; F236-F277 HydrophobicContact CD1-CE2 3.9Å; F236-F277 AromaticContact CD2-CD2 3.84Å; F236-F277 HydrophobicContact CD2-CD2 3.84Å; F236-F277 HydrophobicContact CD2-CE1 4.11Å; F236-F277 AromaticContact CD2-CE2 3.23Å; F236-F277 HydrophobicContact CD2-CE2 3.23Å; F236-F277 AromaticContact CD2-CZ 3.38Å; F236-F277 HydrophobicContact CD2-CZ 3.38Å; F236-F277 HydrophobicContact CE1-CE2 4.35Å; F236-F277 AromaticContact CE2-CE2 3.78Å; F236-F277 HydrophobicContact CE2-CE2 3.78Å; F236-F277 AromaticContact CE2-CZ 3.99Å; F236-F277 HydrophobicContact CE2-CZ 3.99Å; F236-F277 AromaticContact CG-CD2 3.44Å; F236-F277 HydrophobicContact CG-CD2 3.44Å; F236-F277 VanDerWaalsContact CG-CD2 3.44Å; F236-F277 HydrophobicContact CG-CE1 4.47Å; F236-F277 AromaticContact CG-CE2 3.33Å; F236-F277 HydrophobicContact CG-CE2 3.33Å; F236-F277 HydrophobicContact CG-CG 4.1Å; F236-F277 AromaticContact CG-CZ 3.89Å; F236-F277 HydrophobicContact CG-CZ 3.89Å; F236-F277 HydrophobicContact CZ-CE2 4.32Å; H237-F277 AromaticContact NE2-CD1 3.83Å; L240-F277 HydrophobicContact CD1-CB 4Å; L240-F277 HydrophobicContact CD1-CD2 4.29Å; D273-F277 PolarHBondContact O-N 3.48Å; D273-F277 VanDerWaalsContact O-N 3.12Å; K274-F277 PolarHBondContact O-N 3.01Å; F275-F277 VanDerWaalsContact C-N 3.29Å; F275-F277 PolarHBondContact O-N 2.9Å; F277-M279 VanDerWaalsContact C-N 3.32Å; F277-M279 PolarHBondContact O-N 3.3Å; F277-L280 PolarHBondContact O-N 3.49Å; F277-W281 PolarHBondContact O-N 3.01Å; F277-W281 VanDerWaalsContact O-N 3.09Å
278M95.6Very high94.1Very high17 Ų1729.1 Ų29.18%0.08418%0.179CC..Hα-helixtrans-58.3-44.2172.6178.2-169.772.500111.6V107 F111 Y113 I123 K274 F275 N276 W281 A282V107-M278 HydrophobicContact CB-SD 4.3Å; V107-M278 HydrophobicContact CG1-CG 4.47Å; V107-M278 HydrophobicContact CG1-SD 3.4Å; V107-M278 WeakPolarHBondContact CG1-SD 3.41Å; V107-M278 HydrophobicContact CG2-SD 3.84Å; F111-M278 HydrophobicContact CB-CB 4.16Å; F111-M278 HydrophobicContact CD1-CB 4.11Å; F111-M278 HydrophobicContact CD2-CB 3.97Å; F111-M278 HydrophobicContact CD2-CG 3.84Å; F111-M278 HydrophobicContact CE2-CB 4.4Å; F111-M278 HydrophobicContact CE2-CG 4.02Å; F111-M278 HydrophobicContact CG-CB 3.81Å; F111-M278 HydrophobicContact CG-CG 4.21Å; Y113-M278 HydrophobicContact CD1-SD 4.35Å; I123-M278 HydrophobicContact CD1-CE 4.29Å; K274-M278 PolarHBondContact O-N 2.87Å; F275-M278 HydrophobicContact CD2-CE 3.41Å; F275-M278 VanDerWaalsContact CD2-CE 3.41Å; F275-M278 HydrophobicContact CE2-CE 3.41Å; F275-M278 VanDerWaalsContact CE2-CE 3.41Å; F275-M278 HydrophobicContact CG-CE 4.28Å; F275-M278 HydrophobicContact CZ-CE 4.26Å; F275-M278 WeakPolarHBondContact O-CA 3.34Å; F275-M278 WeakPolarHBondContact O-CB 3.27Å; F275-M278 PolarHBondContact O-N 3.06Å; F275-M278 VanDerWaalsContact O-N 3.09Å; N276-M278 PolarHBondContact O-N 3.12Å; M278-W281 PolarHBondContact O-N 3.07Å; M278-A282 VanDerWaalsContact O-CB 3.32Å; M278-A282 WeakPolarHBondContact O-CB 3.5Å; M278-A282 PolarHBondContact O-N 2.96Å
279M95.9Very high93.8Very high8 Ų826.1 Ų26.14%0.03916%0.159CC..Hα-helixtrans-68-36.1179.7-61.3-43.5-57.500112.7W254 L255 M258 F275 N276 F277 S283W254-M279 HydrophobicContact CH2-CE 3.09Å; W254-M279 HydrophobicContact CZ2-CE 3.17Å; W254-M279 HydrophobicContact CZ3-CE 4.02Å; L255-M279 HydrophobicContact CD1-CB 4.3Å; L255-M279 HydrophobicContact CD1-CG 4.17Å; M258-M279 HydrophobicContact CE-CE 3.72Å; M258-M279 HydrophobicContact CE-CG 4.4Å; M258-M279 HydrophobicContact CE-SD 4.43Å; M258-M279 HydrophobicContact SD-CE 4.08Å; M258-M279 HydrophobicContact SD-SD 4.49Å; F275-M279 HydrophobicContact CD1-CG 3.8Å; F275-M279 HydrophobicContact CE1-CG 3.45Å; F275-M279 VanDerWaalsContact CE1-CG 3.45Å; F275-M279 HydrophobicContact CE1-SD 3.93Å; F275-M279 HydrophobicContact CE2-CG 4.48Å; F275-M279 HydrophobicContact CE2-SD 4.06Å; F275-M279 HydrophobicContact CG-CG 4.44Å; F275-M279 HydrophobicContact CZ-CG 3.83Å; F275-M279 HydrophobicContact CZ-SD 3.64Å; F275-M279 WeakPolarHBondContact O-CG 3.48Å; F275-M279 PolarHBondContact O-N 3.49Å; N276-M279 PolarHBondContact O-N 3.44Å; F277-M279 VanDerWaalsContact C-N 3.32Å; F277-M279 PolarHBondContact O-N 3.3Å; M279-S283 WeakPolarHBondContact O-CB 3.33Å; M279-S283 PolarHBondContact O-N 3.33Å; M279-S283 PolarHBondContact O-OG 3.47Å
280L96.4Very high93.4Very high0 Ų023.8 Ų23.80%014%0.142CC..Hα-helixtrans-60.7-51.7173.5179.368.8000110.5F178 Y182 F186 L202 F206 F236 L240 N276 F277 A282 S283 Q284F178-L280 HydrophobicContact CE2-CD1 4.33Å; F178-L280 HydrophobicContact CZ-CD1 4.33Å; F178-L280 HydrophobicContact CZ-CD2 4.41Å; Y182-L280 HydrophobicContact CD2-CD1 3.88Å; F186-L280 HydrophobicContact CD2-CD1 4.26Å; F186-L280 HydrophobicContact CE2-CB 4.06Å; F186-L280 HydrophobicContact CE2-CD1 3.66Å; F186-L280 HydrophobicContact CE2-CG 4.49Å; F186-L280 HydrophobicContact CZ-CB 3.86Å; F186-L280 HydrophobicContact CZ-CD1 4.28Å; L202-L280 HydrophobicContact CD2-CD2 4.15Å; F206-L280 HydrophobicContact CD2-CD2 4.25Å; F206-L280 HydrophobicContact CD2-CG 4.45Å; F206-L280 HydrophobicContact CE2-CG 4.39Å; F236-L280 HydrophobicContact CD1-CD2 4.09Å; F236-L280 HydrophobicContact CE1-CD2 4.11Å; L240-L280 HydrophobicContact CD1-CB 4.03Å; L240-L280 HydrophobicContact CD1-CD2 3.72Å; L240-L280 HydrophobicContact CD1-CG 4.49Å; L240-L280 HydrophobicContact CD2-CD2 4.35Å; N276-L280 PolarHBondContact O-N 3.22Å; F277-L280 PolarHBondContact O-N 3.49Å; L280-A282 PolarHBondContact O-N 3.26Å; L280-S283 PolarHBondContact O-N 2.89Å; L280-S283 PolarHBondContact O-OG 2.87Å; L280-S283 VanDerWaalsContact O-OG 3.09Å; L280-Q284 HydrophobicContact CD1-CG 3.77Å; L280-Q284 WeakPolarHBondContact O-CB 3.42Å; L280-Q284 WeakPolarHBondContact O-CG 3.13Å; L280-Q284 PolarHBondContact O-N 3.14Å
281W95.3Very high93Very high44 Ų4420.7 Ų20.717%0.16712%0.116CC..Hα-helixtrans-63.9-41.9179.9-174.486.5000112.3F111 F206 F209 D210 F213 F277 M278 S283 Q284 G285F111-W281 HydrophobicContact CE1-CB 3.73Å; F111-W281 HydrophobicContact CE1-CG 4.12Å; F111-W281 HydrophobicContact CZ-CB 3.89Å; F111-W281 AromaticContact CZ-CD2 3.97Å; F111-W281 HydrophobicContact CZ-CD2 3.97Å; F111-W281 AromaticContact CZ-CE3 3.84Å; F111-W281 HydrophobicContact CZ-CE3 3.84Å; F111-W281 AromaticContact CZ-CG 3.98Å; F111-W281 HydrophobicContact CZ-CG 3.98Å; F206-W281 HydrophobicContact CE2-CB 4.19Å; F206-W281 AromaticContact CE2-CD1 3.83Å; F206-W281 HydrophobicContact CE2-CG 4.36Å; F206-W281 AromaticContact CZ-CD1 3.79Å; F206-W281 HydrophobicContact CZ-CG 4.48Å; F209-W281 AromaticContact CD1-CD1 3.86Å; F209-W281 AromaticContact CE1-CD1 3.78Å; F209-W281 HydrophobicContact CE1-CG 4.25Å; D210-W281 PolarHBondContact OD1-NE1 3.05Å; F213-W281 AromaticContact CD1-CE2 4Å; F213-W281 AromaticContact CD1-CH2 3.89Å; F213-W281 HydrophobicContact CD1-CH2 3.89Å; F213-W281 AromaticContact CD1-CZ2 3.36Å; F213-W281 HydrophobicContact CD1-CZ2 3.36Å; F213-W281 HydrophobicContact CD2-CD2 4.07Å; F213-W281 AromaticContact CD2-CE2 3.54Å; F213-W281 HydrophobicContact CD2-CH2 4.45Å; F213-W281 AromaticContact CD2-CZ2 3.77Å; F213-W281 HydrophobicContact CD2-CZ2 3.77Å; F213-W281 AromaticContact CD2-NE1 3.69Å; F213-W281 AromaticContact CE1-CH2 3.24Å; F213-W281 HydrophobicContact CE1-CH2 3.24Å; F213-W281 AromaticContact CE1-CZ2 3.23Å; F213-W281 HydrophobicContact CE1-CZ2 3.23Å; F213-W281 HydrophobicContact CE1-CZ3 4.03Å; F213-W281 AromaticContact CE2-CD2 3.69Å; F213-W281 HydrophobicContact CE2-CD2 3.69Å; F213-W281 AromaticContact CE2-CE2 3.51Å; F213-W281 AromaticContact CE2-CE3 3.91Å; F213-W281 HydrophobicContact CE2-CE3 3.91Å; F213-W281 HydrophobicContact CE2-CG 4.4Å; F213-W281 AromaticContact CE2-CH2 3.86Å; F213-W281 HydrophobicContact CE2-CH2 3.86Å; F213-W281 AromaticContact CE2-CZ2 3.61Å; F213-W281 HydrophobicContact CE2-CZ2 3.61Å; F213-W281 AromaticContact CE2-CZ3 3.99Å; F213-W281 HydrophobicContact CE2-CZ3 3.99Å; F213-W281 AromaticContact CG-CE2 3.78Å; F213-W281 HydrophobicContact CG-CH2 4.46Å; F213-W281 AromaticContact CG-CZ2 3.64Å; F213-W281 HydrophobicContact CG-CZ2 3.64Å; F213-W281 AromaticContact CG-NE1 3.9Å; F213-W281 HydrophobicContact CZ-CD2 4.08Å; F213-W281 AromaticContact CZ-CE2 3.79Å; F213-W281 AromaticContact CZ-CE3 3.94Å; F213-W281 HydrophobicContact CZ-CE3 3.94Å; F213-W281 AromaticContact CZ-CH2 3.22Å; F213-W281 HydrophobicContact CZ-CH2 3.22Å; F213-W281 AromaticContact CZ-CZ2 3.37Å; F213-W281 HydrophobicContact CZ-CZ2 3.37Å; F213-W281 AromaticContact CZ-CZ3 3.52Å; F213-W281 HydrophobicContact CZ-CZ3 3.52Å; F277-W281 PolarHBondContact O-N 3.01Å; F277-W281 VanDerWaalsContact O-N 3.09Å; M278-W281 PolarHBondContact O-N 3.07Å; W281-S283 VanDerWaalsContact C-N 3.3Å; W281-S283 PolarHBondContact O-N 3.18Å; W281-Q284 PolarHBondContact O-N 2.93Å; W281-G285 PolarHBondContact O-N 2.94Å
282A92.5Very high92.7Very high52 Ų5220.2 Ų20.243%0.4311%0.113SC..Hα-helixtrans-62.3-35.4179.100000113.4M278 L280M278-A282 VanDerWaalsContact O-CB 3.32Å; M278-A282 WeakPolarHBondContact O-CB 3.5Å; M278-A282 PolarHBondContact O-N 2.96Å; L280-A282 PolarHBondContact O-N 3.26Å
283S93.3Very high92.5Very high20 Ų2023 Ų2314%0.1412%0.124CC..Hα-helixtrans-83.8-35.8179.753.30000113.3L185 M279 L280 W281L185-S283 WeakPolarHBondContact CD1-OG 3.3Å; M279-S283 WeakPolarHBondContact O-CB 3.33Å; M279-S283 PolarHBondContact O-N 3.33Å; M279-S283 PolarHBondContact O-OG 3.47Å; L280-S283 PolarHBondContact O-N 2.89Å; L280-S283 PolarHBondContact O-OG 2.87Å; L280-S283 VanDerWaalsContact O-OG 3.09Å; W281-S283 VanDerWaalsContact C-N 3.3Å; W281-S283 PolarHBondContact O-N 3.18Å
284Q92.3Very high92.1Very high1 Ų121.9 Ų21.91%0.00512%0.118CC..Hα-helixtrans-101.9-16.9-170.3-57.6-55.1-42.400114.8Y174 L177 F178 G181 F206 L280 W281 N286Y174-Q284 VanDerWaalsContact CE2-O 3.26Å; Y174-Q284 WeakPolarHBondContact CE2-O 3.35Å; Y174-Q284 PolarHBondContact OH-O 3.05Å; L177-Q284 PolarHBondContact O-OE1 3.31Å; F178-Q284 HydrophobicContact CD2-CB 3.68Å; F178-Q284 HydrophobicContact CD2-CG 3.99Å; F178-Q284 HydrophobicContact CE2-CB 3.92Å; F178-Q284 HydrophobicContact CE2-CG 4.08Å; G181-Q284 VanDerWaalsContact C-NE2 3.34Å; F206-Q284 HydrophobicContact CE2-CB 4.41Å; F206-Q284 HydrophobicContact CZ-CB 4.04Å; L280-Q284 HydrophobicContact CD1-CG 3.77Å; L280-Q284 WeakPolarHBondContact O-CB 3.42Å; L280-Q284 WeakPolarHBondContact O-CG 3.13Å; L280-Q284 PolarHBondContact O-N 3.14Å; W281-Q284 PolarHBondContact O-N 2.93Å; Q284-N286 VanDerWaalsContact C-N 3.27Å; Q284-N286 PolarHBondContact O-N 3.49Å
285G90.1Very high91.7Very high6 Ų619.9 Ų19.96%0.06211%0.11CC..THydrogen-bonded Turntrans-65.7-20.6-172.400000115.9Y174 W281Y174-G285 VanDerWaalsContact OH-CA 3.31Å; Y174-G285 WeakPolarHBondContact OH-CA 3.16Å; Y174-G285 PolarHBondContact OH-O 3.34Å; W281-G285 PolarHBondContact O-N 2.94Å
286N89.1Confident91.4Very high96 Ų9622 Ų2251%0.51312%0.121SC..THydrogen-bonded Turntrans-120.6-32.6-168.7-59.6-71000114.2Q284 P289 T290Q284-N286 VanDerWaalsContact C-N 3.27Å; Q284-N286 PolarHBondContact O-N 3.49Å; N286-P289 WeakPolarHBondContact O-CD 3.41Å; N286-T290 WeakPolarHBondContact O-CB 3.49Å; N286-T290 PolarHBondContact O-N 3.18Å; N286-T290 VanDerWaalsContact O-N 3.12Å; N286-T290 PolarHBondContact O-OG1 3.44Å
287T86.9Confident91.2Very high9 Ų922.9 Ų22.96%0.05513%0.125CC..Hα-helixtrans-65.9-46.3-172.8-47.70000111.8L177 T290 S291 E449L177-T287 HydrophobicContact CD1-CG2 4.19Å; T287-T290 WeakPolarHBondContact O-CB 3.23Å; T287-T290 PolarHBondContact O-N 3.42Å; T287-S291 PolarHBondContact O-N 3.2Å; T287-E449 HydrophobicContact CG2-CB 3.7Å; T287-E449 WeakPolarHBondContact CG2-OE2 3.46Å; T287-E449 PolarHBondContact OG1-OE2 2.83Å
288G87.4Confident90.9Very high1 Ų122.9 Ų22.91%0.0113%0.125CC..Hα-helixtrans-56.5-55.1177.500000114T290 S291 F292G288-T290 VanDerWaalsContact C-N 3.27Å; G288-T290 PolarHBondContact O-N 3.34Å; G288-S291 PolarHBondContact O-N 2.89Å; G288-F292 PolarHBondContact O-N 3.09Å
289P88.8Confident90.5Very high28 Ų2823.6 Ų23.618%0.18213%0.129CC..Hα-helixtrans-59.3-34.5175.2-27.435.9000113.9F170 Y174 N286 W293F170-P289 HydrophobicContact CE2-CB 4.18Å; F170-P289 HydrophobicContact CE2-CG 4.31Å; F170-P289 HydrophobicContact CZ-CG 4.29Å; Y174-P289 HydrophobicContact CD1-CG 4.05Å; Y174-P289 HydrophobicContact CE1-CG 3.58Å; N286-P289 WeakPolarHBondContact O-CD 3.41Å; P289-W293 PolarHBondContact O-N 3.35Å; P289-W293 VanDerWaalsContact O-N 3.16Å
290T88.1Confident90.2Very high25 Ų2529.2 Ų29.215%0.15315%0.153CC..Hα-helixtrans-65.1-47.7176.7-59.90000110.9N286 T287 G288 F292 W293 A294 L348N286-T290 WeakPolarHBondContact O-CB 3.49Å; N286-T290 PolarHBondContact O-N 3.18Å; N286-T290 VanDerWaalsContact O-N 3.12Å; N286-T290 PolarHBondContact O-OG1 3.44Å; T287-T290 WeakPolarHBondContact O-CB 3.23Å; T287-T290 PolarHBondContact O-N 3.42Å; G288-T290 VanDerWaalsContact C-N 3.27Å; G288-T290 PolarHBondContact O-N 3.34Å; T290-F292 PolarHBondContact O-N 2.73Å; T290-W293 PolarHBondContact O-N 2.84Å; T290-A294 PolarHBondContact O-N 2.87Å; T290-L348 HydrophobicContact CG2-CD2 3.59Å; T290-L348 HydrophobicContact CG2-CG 4.01Å
291S87.1Confident90Very high1 Ų131.2 Ų31.21%0.00716%0.162CC..Hα-helixtrans-60.5-43.9176.5173.40000112.1T287 G288 W293 A294 L295T287-S291 PolarHBondContact O-N 3.2Å; G288-S291 PolarHBondContact O-N 2.89Å; S291-W293 VanDerWaalsContact C-N 3.32Å; S291-W293 PolarHBondContact O-N 3.05Å; S291-A294 PolarHBondContact O-N 3.5Å; S291-L295 WeakPolarHBondContact O-CB 3.24Å; S291-L295 PolarHBondContact O-N 2.72Å
292F90Very high89.7Confident30 Ų3032.2 Ų32.213%0.13217%0.174CC..Hα-helixtrans-52.4-50173.2159.3-101.7000112.2L169 F170 C173 G288 T290 L296L169-F292 HydrophobicContact CB-CD2 4.2Å; L169-F292 HydrophobicContact CB-CE2 4.17Å; L169-F292 HydrophobicContact CD2-CD2 4.11Å; L169-F292 HydrophobicContact CD2-CE2 4.08Å; L169-F292 HydrophobicContact CG-CD2 3.93Å; L169-F292 HydrophobicContact CG-CE2 4.21Å; F170-F292 VanDerWaalsContact CA-CD2 3.41Å; F170-F292 HydrophobicContact CB-CD2 3.67Å; F170-F292 HydrophobicContact CB-CE2 3.83Å; F170-F292 HydrophobicContact CB-CG 4.12Å; F170-F292 HydrophobicContact CB-CZ 4.4Å; F170-F292 HydrophobicContact CD2-CB 3.96Å; F170-F292 AromaticContact CD2-CD1 3.6Å; F170-F292 HydrophobicContact CD2-CD1 3.6Å; F170-F292 HydrophobicContact CD2-CD2 4.01Å; F170-F292 HydrophobicContact CD2-CE1 4.04Å; F170-F292 HydrophobicContact CD2-CE2 4.42Å; F170-F292 AromaticContact CD2-CG 3.55Å; F170-F292 HydrophobicContact CD2-CG 3.55Å; F170-F292 HydrophobicContact CD2-CZ 4.43Å; F170-F292 HydrophobicContact CE2-CD1 4.27Å; F170-F292 HydrophobicContact CE2-CG 4.45Å; F170-F292 HydrophobicContact CG-CD2 4.34Å; F170-F292 HydrophobicContact CG-CG 4.3Å; C173-F292 HydrophobicContact CB-CB 4.08Å; G288-F292 PolarHBondContact O-N 3.09Å; T290-F292 PolarHBondContact O-N 2.73Å; F292-L296 HydrophobicContact CE1-CD2 4.24Å; F292-L296 HydrophobicContact CE2-CD2 4.27Å; F292-L296 HydrophobicContact CZ-CD2 3.73Å; F292-L296 VanDerWaalsContact O-CB 3.24Å; F292-L296 WeakPolarHBondContact O-CB 3.48Å; F292-L296 PolarHBondContact O-N 2.88Å
293W92Very high89.8Confident65 Ų6534.1 Ų34.125%0.24617%0.174CC..Hα-helixtrans-67.9-40-178.2-77.7117.9000112.1P289 T290 S291 L296 F297 T347 R351P289-W293 PolarHBondContact O-N 3.35Å; P289-W293 VanDerWaalsContact O-N 3.16Å; T290-W293 PolarHBondContact O-N 2.84Å; S291-W293 VanDerWaalsContact C-N 3.32Å; S291-W293 PolarHBondContact O-N 3.05Å; W293-L296 HydrophobicContact CE3-CD2 3.86Å; W293-L296 HydrophobicContact CZ3-CD2 3.66Å; W293-L296 PolarHBondContact O-N 3.43Å; W293-F297 HydrophobicContact CB-CD2 4.46Å; W293-F297 HydrophobicContact CB-CE2 4.3Å; W293-F297 HydrophobicContact CE3-CE2 4.42Å; W293-F297 HydrophobicContact CE3-CZ 4.37Å; W293-F297 WeakPolarHBondContact O-CB 3.4Å; W293-F297 WeakPolarHBondContact O-CD2 3.27Å; W293-F297 WeakPolarHBondContact O-CG 3.41Å; W293-F297 PolarHBondContact O-N 3.15Å; W293-T347 HydrophobicContact CB-CG2 3.51Å; W293-R351 HydrophobicContact CB-CG 4.01Å; W293-R351 HydrophobicContact CD2-CG 3.7Å; W293-R351 HydrophobicContact CE3-CG 4.27Å; W293-R351 VanDerWaalsContact CE3-NE 3.28Å; W293-R351 HydrophobicContact CG-CB 4.08Å; W293-R351 HydrophobicContact CG-CG 3.56Å; W293-R351 VanDerWaalsContact CZ3-NH2 3.25Å
294A87.8Confident89.7Confident1 Ų133.2 Ų33.21%0.00817%0.168CC..Hα-helixtrans-61.1-50177.800000110.5T290 S291 L296 F297 L298 T347 I454T290-A294 PolarHBondContact O-N 2.87Å; S291-A294 PolarHBondContact O-N 3.5Å; A294-L296 PolarHBondContact O-N 3.33Å; A294-F297 PolarHBondContact O-N 3.12Å; A294-L298 WeakPolarHBondContact O-CG 3.34Å; A294-L298 PolarHBondContact O-N 2.87Å; A294-T347 WeakPolarHBondContact CA-OG1 3.25Å; A294-T347 HydrophobicContact CB-CG2 4.04Å; A294-I454 HydrophobicContact CB-CD1 3.66Å; A294-I454 HydrophobicContact CB-CG1 4.46Å
295L87.3Confident89.4Confident13 Ų1333.8 Ų33.87%0.06817%0.171CC..Hα-helixtrans-64-42.9178.8-173.654.9000111.5L169 S291 F297 L298 L299L169-L295 HydrophobicContact CD1-CD2 3.57Å; L169-L295 HydrophobicContact CD1-CG 4.07Å; S291-L295 WeakPolarHBondContact O-CB 3.24Å; S291-L295 PolarHBondContact O-N 2.72Å; L295-F297 VanDerWaalsContact C-N 3.33Å; L295-F297 PolarHBondContact O-N 3.42Å; L295-L298 PolarHBondContact O-N 3.35Å; L295-L299 HydrophobicContact CD1-CD1 4.37Å; L295-L299 HydrophobicContact CD1-CG 4.28Å; L295-L299 HydrophobicContact CG-CD1 4.1Å; L295-L299 HydrophobicContact CG-CG 4.47Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.46Å; L295-L299 PolarHBondContact O-N 3.34Å
296L90.6Very high89.4Confident44 Ų4440.8 Ų40.823%0.2320%0.195CC..Hα-helixtrans-59.8-42.8175179.361.6000112.1L169 F292 W293 A294 L299 K300L169-L296 HydrophobicContact CD2-CB 3.95Å; L169-L296 HydrophobicContact CD2-CD1 4.21Å; F292-L296 HydrophobicContact CE1-CD2 4.24Å; F292-L296 HydrophobicContact CE2-CD2 4.27Å; F292-L296 HydrophobicContact CZ-CD2 3.73Å; F292-L296 VanDerWaalsContact O-CB 3.24Å; F292-L296 WeakPolarHBondContact O-CB 3.48Å; F292-L296 PolarHBondContact O-N 2.88Å; W293-L296 HydrophobicContact CE3-CD2 3.86Å; W293-L296 HydrophobicContact CZ3-CD2 3.66Å; W293-L296 PolarHBondContact O-N 3.43Å; A294-L296 PolarHBondContact O-N 3.33Å; L296-L299 PolarHBondContact O-N 2.86Å; L296-K300 HydrophobicContact CD1-CG 4.21Å; L296-K300 WeakPolarHBondContact O-CB 3.43Å; L296-K300 VanDerWaalsContact O-CG 3.27Å; L296-K300 WeakPolarHBondContact O-CG 3.26Å; L296-K300 PolarHBondContact O-N 2.85Å; L296-K300 VanDerWaalsContact O-N 3.1Å
297F93.1Very high89.4Confident19 Ų1936.9 Ų36.98%0.08318%0.177CC..Hα-helixtrans-65.2-43.6177.2-74.6-50.7000111.6W293 A294 L295 L299 K300 H301 T347 L350 R351 F403W293-F297 HydrophobicContact CB-CD2 4.46Å; W293-F297 HydrophobicContact CB-CE2 4.3Å; W293-F297 HydrophobicContact CE3-CE2 4.42Å; W293-F297 HydrophobicContact CE3-CZ 4.37Å; W293-F297 WeakPolarHBondContact O-CB 3.4Å; W293-F297 WeakPolarHBondContact O-CD2 3.27Å; W293-F297 WeakPolarHBondContact O-CG 3.41Å; W293-F297 PolarHBondContact O-N 3.15Å; A294-F297 PolarHBondContact O-N 3.12Å; L295-F297 VanDerWaalsContact C-N 3.33Å; L295-F297 PolarHBondContact O-N 3.42Å; F297-L299 PolarHBondContact O-N 2.89Å; F297-K300 PolarHBondContact O-N 3.48Å; F297-K300 VanDerWaalsContact O-N 3.15Å; F297-H301 WeakPolarHBondContact O-CB 3.35Å; F297-H301 PolarHBondContact O-N 2.86Å; F297-H301 VanDerWaalsContact O-N 3.08Å; F297-H301 PolarHBondContact O-ND1 3.4Å; F297-T347 HydrophobicContact CD2-CG2 4.14Å; F297-T347 HydrophobicContact CE2-CG2 4.24Å; F297-L350 HydrophobicContact CE1-CD1 4.22Å; F297-L350 HydrophobicContact CE2-CB 4.37Å; F297-L350 HydrophobicContact CE2-CD1 4.1Å; F297-L350 HydrophobicContact CZ-CB 4.22Å; F297-L350 HydrophobicContact CZ-CD1 3.66Å; F297-R351 HydrophobicContact CE2-CG 4.04Å; F297-R351 HydrophobicContact CZ-CG 4.34Å; F297-F403 HydrophobicContact CB-CD1 4.08Å; F297-F403 HydrophobicContact CB-CD2 3.75Å; F297-F403 HydrophobicContact CB-CE1 3.93Å; F297-F403 HydrophobicContact CB-CE2 3.62Å; F297-F403 HydrophobicContact CB-CG 4Å; F297-F403 HydrophobicContact CB-CZ 3.71Å; F297-F403 HydrophobicContact CD1-CB 3.85Å; F297-F403 HydrophobicContact CD1-CD1 4.45Å; F297-F403 AromaticContact CD1-CD2 3.83Å; F297-F403 HydrophobicContact CD1-CD2 3.83Å; F297-F403 AromaticContact CD1-CG 3.79Å; F297-F403 HydrophobicContact CD1-CG 3.79Å; F297-F403 AromaticContact CD2-CD2 3.59Å; F297-F403 HydrophobicContact CD2-CD2 3.59Å; F297-F403 AromaticContact CD2-CE2 3.8Å; F297-F403 HydrophobicContact CD2-CE2 3.8Å; F297-F403 HydrophobicContact CD2-CG 4.38Å; F297-F403 HydrophobicContact CE1-CB 3.98Å; F297-F403 HydrophobicContact CE1-CD2 4.28Å; F297-F403 HydrophobicContact CE1-CG 4.31Å; F297-F403 HydrophobicContact CE2-CD2 4.06Å; F297-F403 HydrophobicContact CG-CB 4.38Å; F297-F403 HydrophobicContact CG-CD1 4.4Å; F297-F403 AromaticContact CG-CD2 3.47Å; F297-F403 HydrophobicContact CG-CD2 3.47Å; F297-F403 VanDerWaalsContact CG-CD2 3.47Å; F297-F403 AromaticContact CG-CE2 3.78Å; F297-F403 HydrophobicContact CG-CE2 3.78Å; F297-F403 AromaticContact CG-CG 3.83Å; F297-F403 HydrophobicContact CG-CG 3.83Å; F297-F403 HydrophobicContact CG-CZ 4.35Å; F297-F403 HydrophobicContact CZ-CD2 4.37Å
298L89.4Confident89.3Confident0 Ų036.5 Ų36.50%017%0.174CC..Hα-helixtrans-59.4-45.7175.5-69.7172.7000111.9A294 L295 K300 H301 A304 I305 V308 V343 I454 L458A294-L298 WeakPolarHBondContact O-CG 3.34Å; A294-L298 PolarHBondContact O-N 2.87Å; L295-L298 PolarHBondContact O-N 3.35Å; L298-K300 PolarHBondContact O-N 3.36Å; L298-H301 CarbonylContact O-C 3.56Å; L298-H301 PolarHBondContact O-N 2.89Å; L298-A304 HydrophobicContact CD2-CB 3.89Å; L298-I305 HydrophobicContact CB-CB 4.31Å; L298-I305 HydrophobicContact CB-CD1 4.47Å; L298-V308 HydrophobicContact CD2-CG2 3.86Å; L298-V343 HydrophobicContact CD1-CG1 4.29Å; L298-V343 HydrophobicContact CD2-CG1 3.93Å; L298-V343 HydrophobicContact CD2-CG2 4Å; L298-V343 HydrophobicContact CG-CG1 4.07Å; L298-I454 HydrophobicContact CD1-CG2 3.81Å; L298-L458 HydrophobicContact CD1-CD1 4.24Å
299L87.1Confident89Confident32 Ų3239 Ų3917%0.16818%0.183CC..Hα-helixtrans-64-25.9177.8-68.7172.2000113.2L169 L295 L296 F297 I305 I466 M470L169-L299 HydrophobicContact CD1-CD1 4.4Å; L169-L299 HydrophobicContact CD2-CD1 4.05Å; L295-L299 HydrophobicContact CD1-CD1 4.37Å; L295-L299 HydrophobicContact CD1-CG 4.28Å; L295-L299 HydrophobicContact CG-CD1 4.1Å; L295-L299 HydrophobicContact CG-CG 4.47Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.46Å; L295-L299 PolarHBondContact O-N 3.34Å; L296-L299 PolarHBondContact O-N 2.86Å; F297-L299 PolarHBondContact O-N 2.89Å; L299-I305 HydrophobicContact CD2-CD1 4.29Å; L299-I466 HydrophobicContact CD2-CG2 4.2Å; L299-M470 HydrophobicContact CB-CE 4.02Å; L299-M470 HydrophobicContact CD1-CE 4.01Å; L299-M470 HydrophobicContact CD1-SD 4.02Å; L299-M470 HydrophobicContact CD2-CE 4Å; L299-M470 HydrophobicContact CD2-SD 3.79Å; L299-M470 HydrophobicContact CG-CE 4.23Å; L299-M470 HydrophobicContact CG-SD 4.41Å
300K89.7Confident88.8Confident126 Ų12642.7 Ų42.755%0.54820%0.198SC..Hα-helixtrans-90.8-10178.1-69.5-66.8-176.2-175.60114.1L296 F297 L298L296-K300 HydrophobicContact CD1-CG 4.21Å; L296-K300 WeakPolarHBondContact O-CB 3.43Å; L296-K300 VanDerWaalsContact O-CG 3.27Å; L296-K300 WeakPolarHBondContact O-CG 3.26Å; L296-K300 PolarHBondContact O-N 2.85Å; L296-K300 VanDerWaalsContact O-N 3.1Å; F297-K300 PolarHBondContact O-N 3.48Å; F297-K300 VanDerWaalsContact O-N 3.15Å; L298-K300 PolarHBondContact O-N 3.36Å
301H91.3Very high88.6Confident42 Ų4242.2 Ų42.219%0.19419%0.194CC..  trans-129.987.6-175.4-63.283.7000109.6F297 L298 E303 A304 I305 F403F297-H301 WeakPolarHBondContact O-CB 3.35Å; F297-H301 PolarHBondContact O-N 2.86Å; F297-H301 VanDerWaalsContact O-N 3.08Å; F297-H301 PolarHBondContact O-ND1 3.4Å; L298-H301 CarbonylContact O-C 3.56Å; L298-H301 PolarHBondContact O-N 2.89Å; H301-E303 WeakPolarHBondContact CB-OE1 3.32Å; H301-E303 IonicContact CD2-OE1 2.8Å; H301-E303 PolarHBondContact CD2-OE1 3.45Å; H301-E303 IonicContact CG-OE1 2.83Å; H301-E303 PolarHBondContact O-N 3.4Å; H301-E303 VanDerWaalsContact O-N 3.11Å; H301-A304 HydrophobicContact CB-CB 3.81Å; H301-A304 WeakPolarHBondContact O-CB 3.39Å; H301-A304 PolarHBondContact O-N 3.38Å; H301-I305 PolarHBondContact O-N 3.35Å; H301-I305 VanDerWaalsContact O-N 3.16Å; H301-F403 HydrophobicContact CB-CD1 4.42Å; H301-F403 HydrophobicContact CB-CE1 4.38Å; H301-F403 AromaticContact CD2-CD1 3.92Å; H301-F403 AromaticContact CE1-CD1 3.63Å; H301-F403 AromaticContact CG-CD1 3.72Å; H301-F403 AromaticContact ND1-CD1 3.52Å; H301-F403 AromaticContact NE2-CD1 3.86Å
302P90.6Very high88Confident66 Ų6642.9 Ų42.943%0.42920%0.199SC..Hα-helixtrans-54.7-29.5-177.1-2836.3000114.6I305 R306P302-I305 WeakPolarHBondContact O-CG2 3.19Å; P302-R306 VanDerWaalsContact O-CB 3.29Å; P302-R306 WeakPolarHBondContact O-CB 3.45Å; P302-R306 PolarHBondContact O-N 2.88Å
303E93.4Very high87.3Confident92 Ų9245.4 Ų45.443%0.4322%0.217SC..Hα-helixtrans-67.2-39.8173.569.9-74.2-179.300112.4H301 A307 Y405H301-E303 WeakPolarHBondContact CB-OE1 3.32Å; H301-E303 IonicContact CD2-OE1 2.8Å; H301-E303 PolarHBondContact CD2-OE1 3.45Å; H301-E303 IonicContact CG-OE1 2.83Å; H301-E303 PolarHBondContact O-N 3.4Å; H301-E303 VanDerWaalsContact O-N 3.11Å; E303-A307 WeakPolarHBondContact O-CB 3.48Å; E303-A307 PolarHBondContact O-N 3.26Å; E303-Y405 HydrophobicContact CB-CE1 4.44Å; E303-Y405 HydrophobicContact CG-CD1 4.09Å; E303-Y405 HydrophobicContact CG-CE1 3.83Å
304A91.8Very high86.6Confident0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-70.9-47.5-179.400000111.2L298 H301 R306 A307 V308 F403 Y405L298-A304 HydrophobicContact CD2-CB 3.89Å; H301-A304 HydrophobicContact CB-CB 3.81Å; H301-A304 WeakPolarHBondContact O-CB 3.39Å; H301-A304 PolarHBondContact O-N 3.38Å; A304-R306 VanDerWaalsContact C-N 3.27Å; A304-R306 PolarHBondContact O-N 3.13Å; A304-A307 PolarHBondContact O-N 3.49Å; A304-V308 WeakPolarHBondContact O-CG2 3.44Å; A304-V308 PolarHBondContact O-N 3.39Å; A304-F403 HydrophobicContact CB-CE1 4.14Å; A304-Y405 HydrophobicContact CB-CD1 3.86Å; A304-Y405 HydrophobicContact CB-CD2 4.45Å; A304-Y405 HydrophobicContact CB-CG 3.69Å
305I86.8Confident85.7Confident13 Ų1351.4 Ų51.47%0.06725%0.25CS..Hα-helixtrans-64.5-32.7178.3-164.9161.7000112.1L298 L299 H301 P302 R309 L458 C467L298-I305 HydrophobicContact CB-CB 4.31Å; L298-I305 HydrophobicContact CB-CD1 4.47Å; L299-I305 HydrophobicContact CD2-CD1 4.29Å; H301-I305 PolarHBondContact O-N 3.35Å; H301-I305 VanDerWaalsContact O-N 3.16Å; P302-I305 WeakPolarHBondContact O-CG2 3.19Å; I305-R309 WeakPolarHBondContact O-CB 3.39Å; I305-R309 PolarHBondContact O-N 2.83Å; I305-L458 HydrophobicContact CD1-CD2 3.82Å; I305-L458 HydrophobicContact CG1-CD2 3.97Å; I305-C467 VanDerWaalsContact CD1-SG 3.51Å
306R88.2Confident84.5Confident154 Ų15453 Ų5358%0.58126%0.258SS*.Hα-helixtrans-66.2-47.5173.5-170.8-173.1-50.5169.66.2111.4P302 A304 V308 R309 E310P302-R306 VanDerWaalsContact O-CB 3.29Å; P302-R306 WeakPolarHBondContact O-CB 3.45Å; P302-R306 PolarHBondContact O-N 2.88Å; A304-R306 VanDerWaalsContact C-N 3.27Å; A304-R306 PolarHBondContact O-N 3.13Å; R306-V308 PolarHBondContact O-N 2.67Å; R306-R309 WeakPolarHBondContact O-CB 3.49Å; R306-R309 PolarHBondContact O-N 3.02Å; R306-E310 WeakPolarHBondContact CG-OE1 3.33Å; R306-E310 WeakPolarHBondContact O-CG 3.34Å; R306-E310 PolarHBondContact O-N 3.17Å
307A89.6Confident83Confident14 Ų1453 Ų5312%0.11627%0.269CS..Hα-helixtrans-61.5-43.117900000112E303 A304 R309 E310 E311 V339 Y405E303-A307 WeakPolarHBondContact O-CB 3.48Å; E303-A307 PolarHBondContact O-N 3.26Å; A304-A307 PolarHBondContact O-N 3.49Å; A307-R309 VanDerWaalsContact C-N 3.35Å; A307-R309 PolarHBondContact O-N 2.82Å; A307-E310 PolarHBondContact O-N 2.98Å; A307-E311 PolarHBondContact O-N 2.86Å; A307-V339 HydrophobicContact CB-CG1 3.81Å; A307-Y405 HydrophobicContact CB-CD2 4.25Å; A307-Y405 HydrophobicContact CB-CE2 3.56Å
308V86Confident81Confident0 Ų059.4 Ų59.40%030%0.3CS..Hα-helixtrans-63.7-40.2174.81740000111.2L298 A304 R306 E311 A312 V339 L340 V343 L458L298-V308 HydrophobicContact CD2-CG2 3.86Å; A304-V308 WeakPolarHBondContact O-CG2 3.44Å; A304-V308 PolarHBondContact O-N 3.39Å; R306-V308 PolarHBondContact O-N 2.67Å; V308-E311 PolarHBondContact O-N 2.71Å; V308-A312 VanDerWaalsContact O-CB 3.3Å; V308-A312 WeakPolarHBondContact O-CB 3.14Å; V308-A312 PolarHBondContact O-N 3.32Å; V308-V339 HydrophobicContact CG2-CG1 3.94Å; V308-L340 HydrophobicContact CG1-CD1 4.27Å; V308-V343 HydrophobicContact CG2-CG2 3.92Å; V308-L458 HydrophobicContact CB-CD1 4.38Å; V308-L458 HydrophobicContact CG1-CD1 3.52Å
309R80.6Confident79Confident55 Ų5561.9 Ų61.921%0.20832%0.32CS..Hα-helixtrans-64.3-42.9176.8-174.8-174.8-61.2-160.22.8112.3I305 R306 A307 E311 A312 T313 A463 C467I305-R309 WeakPolarHBondContact O-CB 3.39Å; I305-R309 PolarHBondContact O-N 2.83Å; R306-R309 WeakPolarHBondContact O-CB 3.49Å; R306-R309 PolarHBondContact O-N 3.02Å; A307-R309 VanDerWaalsContact C-N 3.35Å; A307-R309 PolarHBondContact O-N 2.82Å; R309-E311 VanDerWaalsContact C-N 3.35Å; R309-A312 PolarHBondContact O-N 3.17Å; R309-T313 WeakPolarHBondContact O-CB 3.47Å; R309-T313 PolarHBondContact O-N 3.29Å; R309-T313 PolarHBondContact O-OG1 3.31Å; R309-A463 PolarHBondContact NH2-O 2.78Å; R309-C467 PolarHBondContact NH2-SG 3.36Å; R309-C467 VanDerWaalsContact NH2-SG 3.4Å
310E85.1Confident77Confident104 Ų10468.5 Ų68.549%0.48634%0.342SS..Hα-helixtrans-61.4-45.2176.8-73.8171.3-169.200110.7R306 A307 T313 Q314R306-E310 WeakPolarHBondContact CG-OE1 3.33Å; R306-E310 WeakPolarHBondContact O-CG 3.34Å; R306-E310 PolarHBondContact O-N 3.17Å; A307-E310 PolarHBondContact O-N 2.98Å; E310-T313 PolarHBondContact O-N 3.33Å; E310-Q314 VanDerWaalsContact O-CG 3.28Å; E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 2.82Å
311E83.1Confident74.7Confident16 Ų1666.8 Ų66.88%0.07534%0.339CS..Hα-helixtrans-61.4-49.1174.3179.5171.8-95.500111.9A307 V308 R309 T313 Q314 V315 T337 P338 V339 L340A307-E311 PolarHBondContact O-N 2.86Å; V308-E311 PolarHBondContact O-N 2.71Å; R309-E311 VanDerWaalsContact C-N 3.35Å; E311-T313 VanDerWaalsContact C-N 3.27Å; E311-T313 PolarHBondContact O-N 3.35Å; E311-Q314 WeakPolarHBondContact O-CB 3.39Å; E311-Q314 PolarHBondContact O-N 2.94Å; E311-Q314 VanDerWaalsContact O-N 3.1Å; E311-V315 HydrophobicContact CG-CG2 4.22Å; E311-V315 WeakPolarHBondContact O-CB 3.27Å; E311-V315 VanDerWaalsContact O-CG2 3.29Å; E311-V315 WeakPolarHBondContact O-CG2 3.45Å; E311-V315 PolarHBondContact O-N 3.48Å; E311-T337 VanDerWaalsContact CD-C 3.44Å; E311-T337 HydrophobicContact CG-CG2 4.45Å; E311-T337 VanDerWaalsContact OE1-C 3.25Å; E311-T337 VanDerWaalsContact OE2-CA 3.27Å; E311-T337 WeakPolarHBondContact OE2-CA 3.34Å; E311-T337 WeakPolarHBondContact OE2-CB 3.5Å; E311-P338 WeakPolarHBondContact OE1-CD 3.5Å; E311-P338 WeakPolarHBondContact OE1-CG 3.13Å; E311-V339 HydrophobicContact CB-CB 4.47Å; E311-V339 WeakPolarHBondContact OE1-CB 3.22Å; E311-V339 WeakPolarHBondContact OE1-CG2 3.29Å; E311-V339 PolarHBondContact OE1-N 2.8Å; E311-V339 PolarHBondContact OE2-N 3.32Å; E311-L340 PolarHBondContact OE2-N 3.09Å
312A75.6Confident72.2Confident14 Ų1471.2 Ų71.212%0.11636%0.36CS..Hα-helixtrans-58.6-40.3177.700000111.6V308 R309 Q314 V315 L316V308-A312 VanDerWaalsContact O-CB 3.3Å; V308-A312 WeakPolarHBondContact O-CB 3.14Å; V308-A312 PolarHBondContact O-N 3.32Å; R309-A312 PolarHBondContact O-N 3.17Å; A312-Q314 PolarHBondContact O-N 2.8Å; A312-V315 PolarHBondContact O-N 3.17Å; A312-L316 HydrophobicContact CB-CD1 4.33Å; A312-L316 WeakPolarHBondContact O-CB 3.37Å; A312-L316 WeakPolarHBondContact O-CG 3.21Å; A312-L316 PolarHBondContact O-N 3.28Å
313T75Confident69.8Low83 Ų8373.6 Ų73.651%0.50937%0.373SS..Hα-helixtrans-64.4-39.7176.6-55.10000111.7R309 E310 E311 G317R309-T313 WeakPolarHBondContact O-CB 3.47Å; R309-T313 PolarHBondContact O-N 3.29Å; R309-T313 PolarHBondContact O-OG1 3.31Å; E310-T313 PolarHBondContact O-N 3.33Å; E311-T313 VanDerWaalsContact C-N 3.27Å; E311-T313 PolarHBondContact O-N 3.35Å; T313-G317 WeakPolarHBondContact O-CA 3.44Å; T313-G317 PolarHBondContact O-N 2.69Å; T313-G317 VanDerWaalsContact O-N 3.08Å
314Q76.4Confident67.6Low157 Ų15775.2 Ų75.273%0.73438%0.379SS*.Hα-helixtrans-68.9-40.1177.4-70.2170.120.300112.2E310 E311 A312E310-Q314 VanDerWaalsContact O-CG 3.28Å; E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 2.82Å; E311-Q314 WeakPolarHBondContact O-CB 3.39Å; E311-Q314 PolarHBondContact O-N 2.94Å; E311-Q314 VanDerWaalsContact O-N 3.1Å; A312-Q314 PolarHBondContact O-N 2.8Å
315V69.3Low65.4Low36 Ų3683.1 Ų83.122%0.21842%0.415CS..Hα-helixtrans-78.1-44.6-175167.20000112.2E311 A312 A333 H336 T337E311-V315 HydrophobicContact CG-CG2 4.22Å; E311-V315 WeakPolarHBondContact O-CB 3.27Å; E311-V315 VanDerWaalsContact O-CG2 3.29Å; E311-V315 WeakPolarHBondContact O-CG2 3.45Å; E311-V315 PolarHBondContact O-N 3.48Å; A312-V315 PolarHBondContact O-N 3.17Å; V315-A333 VanDerWaalsContact CG1-C 3.42Å; V315-A333 HydrophobicContact CG1-CB 3.58Å; V315-A333 WeakPolarHBondContact CG1-O 3.43Å; V315-H336 VanDerWaalsContact CG2-O 3.24Å; V315-H336 WeakPolarHBondContact CG2-O 3.4Å; V315-T337 HydrophobicContact CG1-CG2 4.33Å; V315-T337 HydrophobicContact CG2-CG2 4.18Å
316L61.1Low63.7Low45 Ų4584.9 Ų84.924%0.23643%0.429CS..Hα-helixtrans-86.9-15.8-176.5-60.9172.9000112.2A312 A319 F329A312-L316 HydrophobicContact CB-CD1 4.33Å; A312-L316 WeakPolarHBondContact O-CB 3.37Å; A312-L316 WeakPolarHBondContact O-CG 3.21Å; A312-L316 PolarHBondContact O-N 3.28Å; L316-A319 HydrophobicContact CB-CB 3.85Å; L316-A319 WeakPolarHBondContact O-CB 3.23Å; L316-A319 PolarHBondContact O-N 2.8Å; L316-A319 VanDerWaalsContact O-N 3.11Å; L316-F329 HydrophobicContact CD2-CB 3.73Å; L316-F329 HydrophobicContact CD2-CD1 4.49Å; L316-F329 HydrophobicContact CD2-CD2 4.05Å; L316-F329 HydrophobicContact CD2-CG 3.85Å
317G60.1Low62Low44 Ų4480 Ų8045%0.45441%0.412SS..SBendtrans58.6-149.8-171.800000111.7T313 A319T313-G317 WeakPolarHBondContact O-CA 3.44Å; T313-G317 PolarHBondContact O-N 2.69Å; T313-G317 VanDerWaalsContact O-N 3.08Å; G317-A319 PolarHBondContact O-N 2.82Å
318E51.7Low60Low155 Ų15582.3 Ų82.372%0.72443%0.432SS*.SBendtrans-71.668.9158.2-71.5-175.2-169.800109.2R320E318-R320 VanDerWaalsContact C-N 3.35Å; E318-R320 PolarHBondContact O-N 3.21Å; E318-R320 IonicContact OE2-CZ 2.7Å; E318-R320 IonicContact OE2-NE 2.94Å; E318-R320 PolarHBondContact OE2-NE 3.39Å; E318-R320 IonicContact OE2-NH2 3.21Å; E318-R320 PolarHBondContact OE2-NH2 2.73Å
319A47.1Very low58.6Low51 Ų5184.1 Ų84.142%0.42144%0.439SS..  trans-59.5104.4166.500000107.6L316 G317L316-A319 HydrophobicContact CB-CB 3.85Å; L316-A319 WeakPolarHBondContact O-CB 3.23Å; L316-A319 PolarHBondContact O-N 2.8Å; L316-A319 VanDerWaalsContact O-N 3.11Å; G317-A319 PolarHBondContact O-N 2.82Å
320R44.1Very low57.4Low171 Ų17189.3 Ų89.365%0.64546%0.464SS*.  trans-80.1131.8175.9-69-178.9-178.2-176.90107.3E318 E322E318-R320 VanDerWaalsContact C-N 3.35Å; E318-R320 PolarHBondContact O-N 3.21Å; E318-R320 IonicContact OE2-CZ 2.7Å; E318-R320 IonicContact OE2-NE 2.94Å; E318-R320 PolarHBondContact OE2-NE 3.39Å; E318-R320 IonicContact OE2-NH2 3.21Å; E318-R320 PolarHBondContact OE2-NH2 2.73Å; R320-E322 HydrophobicContact CB-CG 4.31Å; R320-E322 PolarHBondContact O-N 3.33Å
321L42.4Very low56.2Low90 Ų9086.1 Ų86.147%0.47145%0.45SS..  trans-6084.2155.7-85.9152.6000107T323 F327L321-T323 PolarHBondContact O-N 2.63Å; L321-F327 HydrophobicContact CD2-CD1 4.26Å; L321-F327 HydrophobicContact CD2-CE1 4.06Å
322E39.5Very low55.1Low136 Ų13688.5 Ų88.564%0.63647%0.468SS*.  trans-69.6108.4169.2-76.3-167.4168.800107.3R320R320-E322 HydrophobicContact CB-CG 4.31Å; R320-E322 PolarHBondContact O-N 3.33Å
323T39.4Very low54.3Low115 Ų11588.7 Ų88.771%0.70647%0.47SS*.THydrogen-bonded Turntrans57.276.4164.941.50000115.9L321 Q325L321-T323 PolarHBondContact O-N 2.63Å; T323-Q325 WeakPolarHBondContact O-CA 3.45Å; T323-Q325 VanDerWaalsContact O-CB 3.27Å; T323-Q325 WeakPolarHBondContact O-CB 3.33Å; T323-Q325 WeakPolarHBondContact O-CG 3.39Å; T323-Q325 PolarHBondContact O-N 2.99Å
324K46.7Very low53.6Low127 Ų12785.5 Ų85.555%0.55245%0.449SS*.THydrogen-bonded Turntrans37.714.8151.7-71.9-163.6166.7-160.20119.7L159 D160L159-K324 HydrophobicContact CD1-CB 4.25Å; L159-K324 HydrophobicContact CD1-CG 4.19Å; D160-K324 VanDerWaalsContact CG-NZ 3.31Å; D160-K324 IonicContact OD1-NZ 2.8Å; D160-K324 PolarHBondContact OD1-NZ 3.33Å; D160-K324 IonicContact OD2-NZ 2.97Å; D160-K324 PolarHBondContact OD2-NZ 2.66Å
325Q46.1Very low52.9Low165 Ų16584.8 Ų84.877%0.77145%0.446SS*.THydrogen-bonded Turntrans-143.1-23.1-162.7-64.2-172.21200114.6T323T323-Q325 WeakPolarHBondContact O-CA 3.45Å; T323-Q325 VanDerWaalsContact O-CB 3.27Å; T323-Q325 WeakPolarHBondContact O-CB 3.33Å; T323-Q325 WeakPolarHBondContact O-CG 3.39Å; T323-Q325 PolarHBondContact O-N 2.99Å
326S49.8Very low53Low50 Ų5089.6 Ų89.635%0.3547%0.466SS..  trans-158.5154.9170.363.90000113A328S326-A328 PolarHBondContact O-N 2.92Å
327F53.5Low54Low51 Ų5187.6 Ų87.622%0.22446%0.455CS..  trans-79.9104.9167.8-67.9-78.3000109S148 L321 F329 V456S148-F327 WeakPolarHBondContact OG-CD2 3.33Å; S148-F327 PolarHBondContact OG-N 2.95Å; L321-F327 HydrophobicContact CD2-CD1 4.26Å; L321-F327 HydrophobicContact CD2-CE1 4.06Å; F327-F329 HydrophobicContact CB-CD1 4.34Å; F327-F329 HydrophobicContact CB-CE1 4.25Å; F327-V456 HydrophobicContact CD1-CG1 4.48Å; F327-V456 HydrophobicContact CD2-CG1 3.76Å; F327-V456 HydrophobicContact CD2-CG2 4.34Å; F327-V456 HydrophobicContact CE1-CG1 4.09Å; F327-V456 HydrophobicContact CE2-CG1 3.32Å; F327-V456 HydrophobicContact CG-CG1 4.34Å; F327-V456 HydrophobicContact CG-CG2 4.46Å; F327-V456 HydrophobicContact CZ-CG1 3.5Å
328A48.1Very low55.5Low64 Ų6487.7 Ų87.753%0.52945%0.448SS..  trans-94.396.7176.500000110.5S326S326-A328 PolarHBondContact O-N 2.92Å
329F56.1Low57.4Low37 Ų3781.5 Ų81.516%0.16242%0.421CS..  trans-132.2147.2164.260.5-93.2000111.1L144 L316 F327 L331 L334 F452 V456L144-F329 HydrophobicContact CD1-CE1 3.66Å; L144-F329 HydrophobicContact CD1-CZ 3.58Å; L144-F329 HydrophobicContact CD2-CD1 4.42Å; L144-F329 HydrophobicContact CD2-CE1 3.95Å; L144-F329 HydrophobicContact CD2-CE2 4.13Å; L144-F329 HydrophobicContact CD2-CZ 3.78Å; L144-F329 HydrophobicContact CG-CE1 4.45Å; L144-F329 HydrophobicContact CG-CZ 4.35Å; L316-F329 HydrophobicContact CD2-CB 3.73Å; L316-F329 HydrophobicContact CD2-CD1 4.49Å; L316-F329 HydrophobicContact CD2-CD2 4.05Å; L316-F329 HydrophobicContact CD2-CG 3.85Å; F327-F329 HydrophobicContact CB-CD1 4.34Å; F327-F329 HydrophobicContact CB-CE1 4.25Å; F329-L331 PolarHBondContact O-N 3.41Å; F329-L334 HydrophobicContact CD2-CG 4.4Å; F329-L334 HydrophobicContact CE2-CD1 3.75Å; F329-L334 HydrophobicContact CE2-CD2 4.05Å; F329-L334 HydrophobicContact CE2-CG 3.82Å; F329-L334 HydrophobicContact CZ-CD1 4.43Å; F329-F452 HydrophobicContact CE2-CD1 4.06Å; F329-F452 AromaticContact CE2-CE1 3.93Å; F329-F452 HydrophobicContact CE2-CE1 3.93Å; F329-F452 AromaticContact CZ-CD1 3.76Å; F329-F452 HydrophobicContact CZ-CD1 3.76Å; F329-F452 HydrophobicContact CZ-CE1 4.03Å; F329-V456 HydrophobicContact CE1-CG2 4.39Å
330K56.4Low59.3Low165 Ų16579 Ų7972%0.71740%0.401SS*.  trans-66.9126.7179.9-70.2-178.1178.9175.40109.2S332 A333K330-S332 PolarHBondContact O-N 3.36Å; K330-S332 VanDerWaalsContact O-N 3.08Å; K330-A333 WeakPolarHBondContact O-CB 3.33Å; K330-A333 PolarHBondContact O-N 3.33Å
331L59.8Low61.4Low37 Ų3773.8 Ų73.819%0.19439%0.385CS..G310 helixtrans-55.5-29175.5-173.261.3000113.1K137 N140 F329 A333 L334 F452K137-L331 HydrophobicContact CB-CD2 4.5Å; K137-L331 HydrophobicContact CG-CD2 4.4Å; N140-L331 HydrophobicContact CB-CD1 3.89Å; N140-L331 HydrophobicContact CB-CD2 3.53Å; N140-L331 HydrophobicContact CB-CG 4.37Å; F329-L331 PolarHBondContact O-N 3.41Å; L331-A333 PolarHBondContact O-N 2.89Å; L331-L334 HydrophobicContact CD1-CD1 4.35Å; L331-L334 PolarHBondContact O-N 3.38Å; L331-F452 HydrophobicContact CD1-CE1 3.74Å; L331-F452 HydrophobicContact CD1-CZ 3.42Å; L331-F452 VanDerWaalsContact CD1-CZ 3.42Å
332S59.8Low63.9Low66 Ų6669.6 Ų69.646%0.46236%0.364SS..G310 helixtrans-62.6-23.9173.860.50000113.6K330 L334 Q335K330-S332 PolarHBondContact O-N 3.36Å; K330-S332 VanDerWaalsContact O-N 3.08Å; S332-L334 VanDerWaalsContact C-N 3.33Å; S332-Q335 WeakPolarHBondContact O-CB 3.28Å; S332-Q335 PolarHBondContact O-N 2.96Å
333A57.2Low66.6Low18 Ų1863.1 Ų63.115%0.14933%0.333CS..G310 helixtrans-65.6-38.5177.600000110.6V315 K330 L331 Q335 H336V315-A333 VanDerWaalsContact CG1-C 3.42Å; V315-A333 HydrophobicContact CG1-CB 3.58Å; V315-A333 WeakPolarHBondContact CG1-O 3.43Å; K330-A333 WeakPolarHBondContact O-CB 3.33Å; K330-A333 PolarHBondContact O-N 3.33Å; L331-A333 PolarHBondContact O-N 2.89Å; A333-Q335 PolarHBondContact O-N 2.86Å; A333-Q335 VanDerWaalsContact O-N 3.15Å; A333-H336 PolarHBondContact O-N 3.36Å
334L60.4Low69Low16 Ų1657.7 Ų57.78%0.08430%0.3CS..G310 helixtrans-68.3-14178.9-64.2-172.3000114.6F329 L331 S332 H336 T337 F452F329-L334 HydrophobicContact CD2-CG 4.4Å; F329-L334 HydrophobicContact CE2-CD1 3.75Å; F329-L334 HydrophobicContact CE2-CD2 4.05Å; F329-L334 HydrophobicContact CE2-CG 3.82Å; F329-L334 HydrophobicContact CZ-CD1 4.43Å; L331-L334 HydrophobicContact CD1-CD1 4.35Å; L331-L334 PolarHBondContact O-N 3.38Å; S332-L334 VanDerWaalsContact C-N 3.33Å; L334-H336 PolarHBondContact O-N 2.85Å; L334-H336 VanDerWaalsContact O-N 3.17Å; L334-T337 PolarHBondContact O-OG1 2.76Å; L334-T337 VanDerWaalsContact O-OG1 3.09Å; L334-F452 HydrophobicContact CD1-CD1 3.27Å; L334-F452 HydrophobicContact CD1-CE1 3.03Å; L334-F452 HydrophobicContact CD1-CG 4.4Å; L334-F452 HydrophobicContact CD1-CZ 3.99Å; L334-F452 HydrophobicContact CG-CE1 4.37Å
335Q62.5Low71.3Confident141 Ų14152.7 Ų52.766%0.65928%0.279SS*.G310 helixtrans-71.6-5.1177.8-61.2-176.4-29.900113.3S332 A333S332-Q335 WeakPolarHBondContact O-CB 3.28Å; S332-Q335 PolarHBondContact O-N 2.96Å; A333-Q335 PolarHBondContact O-N 2.86Å; A333-Q335 VanDerWaalsContact O-N 3.15Å
336H70.7Confident73.8Confident137 Ų13744.9 Ų44.963%0.63424%0.242SC*.G310 helixtrans-127.456.4-177.4-66.8-57.6000112.1V315 A333 L334 P338V315-H336 VanDerWaalsContact CG2-O 3.24Å; V315-H336 WeakPolarHBondContact CG2-O 3.4Å; A333-H336 PolarHBondContact O-N 3.36Å; L334-H336 PolarHBondContact O-N 2.85Å; L334-H336 VanDerWaalsContact O-N 3.17Å; H336-P338 VanDerWaalsContact C-CD 3.41Å; H336-P338 WeakPolarHBondContact O-CD 3.13Å
337T83.1Confident76Confident3 Ų342.5 Ų42.52%0.01823%0.225CC..  trans-124.258.3-178.854.90000113.3E311 V315 L334 V339 L340 D341E311-T337 VanDerWaalsContact CD-C 3.44Å; E311-T337 HydrophobicContact CG-CG2 4.45Å; E311-T337 VanDerWaalsContact OE1-C 3.25Å; E311-T337 VanDerWaalsContact OE2-CA 3.27Å; E311-T337 WeakPolarHBondContact OE2-CA 3.34Å; E311-T337 WeakPolarHBondContact OE2-CB 3.5Å; V315-T337 HydrophobicContact CG1-CG2 4.33Å; V315-T337 HydrophobicContact CG2-CG2 4.18Å; L334-T337 PolarHBondContact O-OG1 2.76Å; L334-T337 VanDerWaalsContact O-OG1 3.09Å; T337-V339 VanDerWaalsContact C-N 3.28Å; T337-V339 PolarHBondContact O-N 3.35Å; T337-L340 PolarHBondContact O-N 3.45Å; T337-D341 WeakPolarHBondContact O-CB 3.47Å; T337-D341 PolarHBondContact O-N 3.47Å
338P90.7Very high77.9Confident47 Ų4740.5 Ų40.531%0.30522%0.217SC..Hα-helixtrans-58-32.6-175.524.5-35.9000115E311 H336 S342 L409E311-P338 WeakPolarHBondContact OE1-CD 3.5Å; E311-P338 WeakPolarHBondContact OE1-CG 3.13Å; H336-P338 VanDerWaalsContact C-CD 3.41Å; H336-P338 WeakPolarHBondContact O-CD 3.13Å; P338-S342 WeakPolarHBondContact O-CB 3.43Å; P338-S342 PolarHBondContact O-N 3.31Å; P338-L409 HydrophobicContact CB-CD2 4.17Å; P338-L409 WeakPolarHBondContact O-CD2 3.46Å
339V91.1Very high80.3Confident24 Ų2437.5 Ų37.515%0.14519%0.192CC..Hα-helixtrans-69.7-48.1177.4179.80000110.1A307 V308 E311 T337 S342 V343 Y405 L409A307-V339 HydrophobicContact CB-CG1 3.81Å; V308-V339 HydrophobicContact CG2-CG1 3.94Å; E311-V339 HydrophobicContact CB-CB 4.47Å; E311-V339 WeakPolarHBondContact OE1-CB 3.22Å; E311-V339 WeakPolarHBondContact OE1-CG2 3.29Å; E311-V339 PolarHBondContact OE1-N 2.8Å; E311-V339 PolarHBondContact OE2-N 3.32Å; T337-V339 VanDerWaalsContact C-N 3.28Å; T337-V339 PolarHBondContact O-N 3.35Å; V339-S342 PolarHBondContact O-N 2.76Å; V339-V343 WeakPolarHBondContact O-CG2 3.46Å; V339-V343 PolarHBondContact O-N 3.02Å; V339-Y405 HydrophobicContact CG1-CD2 3.97Å; V339-Y405 HydrophobicContact CG1-CE2 4.12Å; V339-L409 HydrophobicContact CG2-CD1 4.15Å
340L87.4Confident82.2Confident0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-62.2-43.9175.9-175.758.1000111.7V308 E311 T337 S342 V343 V344 D451 I454 N455V308-L340 HydrophobicContact CG1-CD1 4.27Å; E311-L340 PolarHBondContact OE2-N 3.09Å; T337-L340 PolarHBondContact O-N 3.45Å; L340-S342 VanDerWaalsContact C-N 3.25Å; L340-S342 PolarHBondContact O-N 2.74Å; L340-V343 WeakPolarHBondContact O-CB 3.32Å; L340-V343 PolarHBondContact O-N 2.85Å; L340-V343 VanDerWaalsContact O-N 3.09Å; L340-V344 HydrophobicContact CD1-CG2 4.35Å; L340-V344 WeakPolarHBondContact O-CG2 3.41Å; L340-V344 PolarHBondContact O-N 2.82Å; L340-D451 HydrophobicContact CD2-CB 3.82Å; L340-I454 HydrophobicContact CD1-CB 4.22Å; L340-I454 HydrophobicContact CD1-CD1 3.91Å; L340-I454 HydrophobicContact CD1-CG2 3.74Å; L340-N455 WeakPolarHBondContact CD2-ND2 3.44Å
341D88.8Confident84Confident60 Ų6033.3 Ų33.332%0.32117%0.171SC..Hα-helixtrans-52.3-46.3172.7-82.6-30000110.9T337 V344 E345T337-D341 WeakPolarHBondContact O-CB 3.47Å; T337-D341 PolarHBondContact O-N 3.47Å; D341-V344 PolarHBondContact O-N 2.91Å; D341-E345 VanDerWaalsContact O-CB 3.23Å; D341-E345 WeakPolarHBondContact O-CB 3.5Å; D341-E345 PolarHBondContact O-N 3.46Å
342S95.9Very high85.5Confident3 Ų332.5 Ų32.52%0.02117%0.17CC..Hα-helixtrans-67.1-38.3178.7-177.30000112.5P338 V339 L340 E345 E346 Y405 F408P338-S342 WeakPolarHBondContact O-CB 3.43Å; P338-S342 PolarHBondContact O-N 3.31Å; V339-S342 PolarHBondContact O-N 2.76Å; L340-S342 VanDerWaalsContact C-N 3.25Å; L340-S342 PolarHBondContact O-N 2.74Å; S342-E345 PolarHBondContact O-N 3.26Å; S342-E346 VanDerWaalsContact O-CB 3.29Å; S342-E346 WeakPolarHBondContact O-CB 3.34Å; S342-E346 PolarHBondContact O-N 3.42Å; S342-Y405 VanDerWaalsContact CB-O 3.23Å; S342-Y405 WeakPolarHBondContact CB-O 3.27Å; S342-Y405 PolarHBondContact OG-O 3.24Å; S342-F408 WeakPolarHBondContact OG-CB 3.42Å; S342-F408 PolarHBondContact OG-N 3.01Å
343V94.6Very high87Confident0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-61.4-47.5173.6165.30000111.1L298 V308 V339 L340 E346 T347 F403L298-V343 HydrophobicContact CD1-CG1 4.29Å; L298-V343 HydrophobicContact CD2-CG1 3.93Å; L298-V343 HydrophobicContact CD2-CG2 4Å; L298-V343 HydrophobicContact CG-CG1 4.07Å; V308-V343 HydrophobicContact CG2-CG2 3.92Å; V339-V343 WeakPolarHBondContact O-CG2 3.46Å; V339-V343 PolarHBondContact O-N 3.02Å; L340-V343 WeakPolarHBondContact O-CB 3.32Å; L340-V343 PolarHBondContact O-N 2.85Å; L340-V343 VanDerWaalsContact O-N 3.09Å; V343-E346 PolarHBondContact O-N 3.19Å; V343-T347 VanDerWaalsContact O-CB 3.29Å; V343-T347 WeakPolarHBondContact O-CB 3.42Å; V343-T347 PolarHBondContact O-N 3.49Å; V343-T347 PolarHBondContact O-OG1 3.08Å; V343-F403 HydrophobicContact CG1-CZ 4.27Å; V343-F403 HydrophobicContact CG2-CZ 4.47Å
344V90.4Very high88.7Confident1 Ų132.3 Ų32.31%0.00617%0.169CC..Hα-helixtrans-67.1-42.2179.6176.10000110.1L340 D341 E346 T347 L348 L447 I454L340-V344 HydrophobicContact CD1-CG2 4.35Å; L340-V344 WeakPolarHBondContact O-CG2 3.41Å; L340-V344 PolarHBondContact O-N 2.82Å; D341-V344 PolarHBondContact O-N 2.91Å; V344-E346 PolarHBondContact O-N 3.06Å; V344-T347 WeakPolarHBondContact O-CB 3.44Å; V344-T347 PolarHBondContact O-N 3.02Å; V344-L348 HydrophobicContact CG1-CD1 3.98Å; V344-L348 HydrophobicContact CG1-CG 4.44Å; V344-L348 WeakPolarHBondContact O-CB 3.34Å; V344-L348 VanDerWaalsContact O-CG 3.31Å; V344-L348 WeakPolarHBondContact O-CG 3.45Å; V344-L348 PolarHBondContact O-N 3.07Å; V344-L447 HydrophobicContact CG1-CD2 3.75Å; V344-I454 HydrophobicContact CG2-CD1 4.02Å
345E95.1Very high90.1Very high22 Ų2233.3 Ų33.310%0.10318%0.176CC..Hα-helixtrans-63.1-40.4177.2-164.4167.7172.400111.9D341 S342 R349 F408 R415 Y429 T430D341-E345 VanDerWaalsContact O-CB 3.23Å; D341-E345 WeakPolarHBondContact O-CB 3.5Å; D341-E345 PolarHBondContact O-N 3.46Å; S342-E345 PolarHBondContact O-N 3.26Å; E345-R349 WeakPolarHBondContact O-CB 3.21Å; E345-R349 PolarHBondContact O-N 2.88Å; E345-F408 HydrophobicContact CB-CD2 3.8Å; E345-F408 HydrophobicContact CB-CE2 4.08Å; E345-F408 HydrophobicContact CB-CG 4.1Å; E345-F408 VanDerWaalsContact CD-CD1 3.45Å; E345-F408 HydrophobicContact CG-CD1 3.88Å; E345-F408 HydrophobicContact CG-CD2 3.85Å; E345-F408 HydrophobicContact CG-CE1 3.86Å; E345-F408 HydrophobicContact CG-CE2 3.85Å; E345-F408 HydrophobicContact CG-CG 3.87Å; E345-F408 HydrophobicContact CG-CZ 3.84Å; E345-F408 WeakPolarHBondContact OE1-CD1 3.42Å; E345-F408 WeakPolarHBondContact OE1-CE1 3.29Å; E345-R415 VanDerWaalsContact CD-NH2 3.29Å; E345-R415 IonicContact OE1-NH2 3.63Å; E345-R415 PolarHBondContact OE1-NH2 3.18Å; E345-R415 IonicContact OE2-CZ 2.67Å; E345-R415 IonicContact OE2-NE 2.87Å; E345-R415 PolarHBondContact OE2-NE 3.39Å; E345-R415 IonicContact OE2-NH2 3.7Å; E345-R415 PolarHBondContact OE2-NH2 2.69Å; E345-Y429 WeakPolarHBondContact OE1-CE2 3.39Å; E345-T430 HydrophobicContact CG-CG2 4.15Å; E345-T430 WeakPolarHBondContact OE1-CG2 3.31Å
346E97.8Very high91.5Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-69.3-40.2174.7179.967.3170.600113S342 V343 V344 L348 R349 L350 V402 F403 K404 R407 F408S342-E346 VanDerWaalsContact O-CB 3.29Å; S342-E346 WeakPolarHBondContact O-CB 3.34Å; S342-E346 PolarHBondContact O-N 3.42Å; V343-E346 PolarHBondContact O-N 3.19Å; V344-E346 PolarHBondContact O-N 3.06Å; E346-L348 VanDerWaalsContact C-N 3.33Å; E346-L348 PolarHBondContact O-N 3.41Å; E346-R349 WeakPolarHBondContact O-CB 3.44Å; E346-R349 PolarHBondContact O-N 3.05Å; E346-R349 IonicContact OE1-CZ 2.59Å; E346-R349 IonicContact OE1-NE 2.87Å; E346-R349 IonicContact OE1-NH2 3.44Å; E346-R349 PolarHBondContact OE1-NH2 3.45Å; E346-R349 IonicContact OE2-CZ 2.7Å; E346-R349 IonicContact OE2-NE 2.68Å; E346-R349 PolarHBondContact OE2-NE 2.91Å; E346-R349 IonicContact OE2-NH2 3.25Å; E346-R349 PolarHBondContact OE2-NH2 3.04Å; E346-L350 HydrophobicContact CG-CD1 4.42Å; E346-L350 PolarHBondContact O-N 3.43Å; E346-V402 VanDerWaalsContact OE1-O 3.11Å; E346-F403 HydrophobicContact CB-CD2 4.32Å; E346-F403 HydrophobicContact CB-CE2 4.02Å; E346-F403 HydrophobicContact CG-CD2 3.47Å; E346-F403 VanDerWaalsContact CG-CD2 3.47Å; E346-F403 HydrophobicContact CG-CE2 3.65Å; E346-F403 HydrophobicContact CG-CG 4.25Å; E346-K404 WeakPolarHBondContact CG-O 3.28Å; E346-K404 PolarHBondContact OE1-N 3.18Å; E346-K404 VanDerWaalsContact OE1-N 3.12Å; E346-R407 IonicContact OE1-CZ 3.8Å; E346-R407 IonicContact OE1-NE 2.69Å; E346-R407 PolarHBondContact OE1-NE 3.41Å; E346-R407 IonicContact OE1-NH2 3.47Å; E346-R407 PolarHBondContact OE1-NH2 2.73Å; E346-R407 WeakPolarHBondContact OE2-CD 3.38Å; E346-R407 IonicContact OE2-NE 3.41Å; E346-R407 PolarHBondContact OE2-NE 2.85Å; E346-F408 HydrophobicContact CB-CD2 4.24Å; E346-F408 HydrophobicContact CB-CE2 4.01Å; E346-F408 WeakPolarHBondContact OE2-CE2 3.44Å
347T95.8Very high92.5Very high0 Ų021.2 Ų21.20%012%0.121CC..Hα-helixtrans-57.8-50.2173.9-63.90000110.3W293 A294 F297 V343 V344 L350 R351W293-T347 HydrophobicContact CB-CG2 3.51Å; A294-T347 WeakPolarHBondContact CA-OG1 3.25Å; A294-T347 HydrophobicContact CB-CG2 4.04Å; F297-T347 HydrophobicContact CD2-CG2 4.14Å; F297-T347 HydrophobicContact CE2-CG2 4.24Å; V343-T347 VanDerWaalsContact O-CB 3.29Å; V343-T347 WeakPolarHBondContact O-CB 3.42Å; V343-T347 PolarHBondContact O-N 3.49Å; V343-T347 PolarHBondContact O-OG1 3.08Å; V344-T347 WeakPolarHBondContact O-CB 3.44Å; V344-T347 PolarHBondContact O-N 3.02Å; T347-L350 PolarHBondContact O-N 2.87Å; T347-R351 WeakPolarHBondContact O-CB 3.44Å; T347-R351 WeakPolarHBondContact O-CG 3.25Å; T347-R351 PolarHBondContact O-N 2.8Å
348L95.2Very high92.9Very high10 Ų1021.2 Ų21.25%0.05212%0.121CC..Hα-helixtrans-65.7-38178.6-74.6173.3000112.1T290 V344 E346 L350 R351 A352 P432 W433T290-L348 HydrophobicContact CG2-CD2 3.59Å; T290-L348 HydrophobicContact CG2-CG 4.01Å; V344-L348 HydrophobicContact CG1-CD1 3.98Å; V344-L348 HydrophobicContact CG1-CG 4.44Å; V344-L348 WeakPolarHBondContact O-CB 3.34Å; V344-L348 VanDerWaalsContact O-CG 3.31Å; V344-L348 WeakPolarHBondContact O-CG 3.45Å; V344-L348 PolarHBondContact O-N 3.07Å; E346-L348 VanDerWaalsContact C-N 3.33Å; E346-L348 PolarHBondContact O-N 3.41Å; L348-L350 VanDerWaalsContact C-N 3.3Å; L348-L350 PolarHBondContact O-N 3.22Å; L348-R351 PolarHBondContact O-N 2.82Å; L348-A352 HydrophobicContact CB-CB 4.47Å; L348-A352 HydrophobicContact CD2-CB 4.13Å; L348-A352 WeakPolarHBondContact O-CA 3.38Å; L348-A352 WeakPolarHBondContact O-CB 3.21Å; L348-A352 PolarHBondContact O-N 3.44Å; L348-P432 HydrophobicContact CB-CB 3.66Å; L348-P432 HydrophobicContact CB-CG 3.85Å; L348-P432 HydrophobicContact CD1-CB 4.25Å; L348-P432 HydrophobicContact CD1-CG 4.08Å; L348-P432 HydrophobicContact CD2-CB 4.23Å; L348-P432 HydrophobicContact CG-CB 4.28Å; L348-W433 HydrophobicContact CD1-CH2 4.01Å; L348-W433 HydrophobicContact CD1-CZ2 3.33Å
349R97.6Very high92.9Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-55.8-47.9172.8-172.5-166.965.276.1-0.9110.5E345 E346 H391 P400 V402 F408E345-R349 WeakPolarHBondContact O-CB 3.21Å; E345-R349 PolarHBondContact O-N 2.88Å; E346-R349 WeakPolarHBondContact O-CB 3.44Å; E346-R349 PolarHBondContact O-N 3.05Å; E346-R349 IonicContact OE1-CZ 2.59Å; E346-R349 IonicContact OE1-NE 2.87Å; E346-R349 IonicContact OE1-NH2 3.44Å; E346-R349 PolarHBondContact OE1-NH2 3.45Å; E346-R349 IonicContact OE2-CZ 2.7Å; E346-R349 IonicContact OE2-NE 2.68Å; E346-R349 PolarHBondContact OE2-NE 2.91Å; E346-R349 IonicContact OE2-NH2 3.25Å; E346-R349 PolarHBondContact OE2-NH2 3.04Å; R349-H391 HydrophobicContact CG-CB 3.73Å; R349-H391 PolarHBondContact NH1-O 3.14Å; R349-H391 VanDerWaalsContact O-CB 3.26Å; R349-H391 WeakPolarHBondContact O-CB 3.11Å; R349-H391 PolarHBondContact O-ND1 3.11Å; R349-P400 VanDerWaalsContact CZ-O 3.26Å; R349-P400 PolarHBondContact NH1-O 3.49Å; R349-P400 PolarHBondContact NH2-O 3.33Å; R349-V402 PolarHBondContact NH2-O 2.92Å; R349-F408 HydrophobicContact CB-CZ 4.35Å
350L96.3Very high93Very high10 Ų1019 Ų195%0.05211%0.105CC..Hα-helixtrans-74.7-26.6-176.6-76.8173.4000114.6F297 E346 T347 L348 Y387 P400 F403F297-L350 HydrophobicContact CE1-CD1 4.22Å; F297-L350 HydrophobicContact CE2-CB 4.37Å; F297-L350 HydrophobicContact CE2-CD1 4.1Å; F297-L350 HydrophobicContact CZ-CB 4.22Å; F297-L350 HydrophobicContact CZ-CD1 3.66Å; E346-L350 HydrophobicContact CG-CD1 4.42Å; E346-L350 PolarHBondContact O-N 3.43Å; T347-L350 PolarHBondContact O-N 2.87Å; L348-L350 VanDerWaalsContact C-N 3.3Å; L348-L350 PolarHBondContact O-N 3.22Å; L350-Y387 VanDerWaalsContact O-CE2 3.25Å; L350-Y387 WeakPolarHBondContact O-CE2 3.4Å; L350-Y387 PolarHBondContact O-OH 2.81Å; L350-Y387 VanDerWaalsContact O-OH 3.11Å; L350-P400 WeakPolarHBondContact CD2-O 3.36Å; L350-F403 HydrophobicContact CD1-CB 3.81Å; L350-F403 HydrophobicContact CD1-CD2 4.02Å; L350-F403 HydrophobicContact CD1-CG 4.43Å
351R93.4Very high93.2Very high104 Ų10421.3 Ų21.339%0.39212%0.116SC..Hα-helixtrans-123.7-22.4-166-57.2-62.1-175.9-168.10.1115.2W293 F297 T347 L348W293-R351 HydrophobicContact CB-CG 4.01Å; W293-R351 HydrophobicContact CD2-CG 3.7Å; W293-R351 HydrophobicContact CE3-CG 4.27Å; W293-R351 VanDerWaalsContact CE3-NE 3.28Å; W293-R351 HydrophobicContact CG-CB 4.08Å; W293-R351 HydrophobicContact CG-CG 3.56Å; W293-R351 VanDerWaalsContact CZ3-NH2 3.25Å; F297-R351 HydrophobicContact CE2-CG 4.04Å; F297-R351 HydrophobicContact CZ-CG 4.34Å; T347-R351 WeakPolarHBondContact O-CB 3.44Å; T347-R351 WeakPolarHBondContact O-CG 3.25Å; T347-R351 PolarHBondContact O-N 2.8Å; L348-R351 PolarHBondContact O-N 2.82Å
352A91.4Very high93.3Very high20 Ų2023.9 Ų23.917%0.16513%0.126CC..  trans-83120.6175.300000110.7L348 P354 Y387 H391 P432L348-A352 HydrophobicContact CB-CB 4.47Å; L348-A352 HydrophobicContact CD2-CB 4.13Å; L348-A352 WeakPolarHBondContact O-CA 3.38Å; L348-A352 WeakPolarHBondContact O-CB 3.21Å; L348-A352 PolarHBondContact O-N 3.44Å; A352-P354 WeakPolarHBondContact O-CD 3.43Å; A352-Y387 WeakPolarHBondContact O-CD2 3.36Å; A352-H391 PolarHBondContact O-ND1 3.33Å; A352-P432 HydrophobicContact CB-CB 3.55Å
353A92.1Very high93.2Very high45 Ų4526.8 Ų26.837%0.37214%0.141SC..  trans-123.157.7-179.600000112.8F385 Y387A353-F385 HydrophobicContact CB-CE2 3.98Å; A353-F385 HydrophobicContact CB-CZ 4.18Å; A353-Y387 HydrophobicContact CB-CD2 4.26Å; A353-Y387 HydrophobicContact CB-CG 4.09Å
354P91.5Very high93Very high35 Ų3527.3 Ų27.323%0.22714%0.143CC..  trans-67.4144.3-179.830.9-35.8000111A352 L356 P386 M431A352-P354 WeakPolarHBondContact O-CD 3.43Å; P354-L356 HydrophobicContact CB-CD1 3.99Å; P354-L356 HydrophobicContact CG-CD1 4.12Å; P354-P386 WeakPolarHBondContact O-CD 3.5Å; P354-M431 WeakPolarHBondContact CG-O 3.4Å
355T90.9Very high93.2Very high37 Ų3729.3 Ų29.323%0.22716%0.155CC..  trans-105.9119.3167.9-57.20000108.7L357 A383T355-L357 HydrophobicContact CG2-CD2 3.57Å; T355-L357 HydrophobicContact CG2-CG 4.02Å; T355-A383 HydrophobicContact CG2-CB 4.41Å
356L92.2Very high93.1Very high9 Ų928.7 Ų28.75%0.04715%0.153CC..EExtended strand (participates in β ladder)trans-94.9114.1-177.6-7361.3000108.1L90 P354 A383 L384 P386 M431L90-L356 HydrophobicContact CD2-CD2 3.64Å; P354-L356 HydrophobicContact CB-CD1 3.99Å; P354-L356 HydrophobicContact CG-CD1 4.12Å; L356-A383 CarbonylContact O-C 3.57Å; L356-A383 WeakPolarHBondContact O-CA 3.35Å; L356-L384 HydrophobicContact CB-CB 4.18Å; L356-L384 PolarHBondContact N-O 2.77Å; L356-L384 PolarHBondContact O-N 3.47Å; L356-P386 HydrophobicContact CD1-CG 3.77Å; L356-P386 HydrophobicContact CD2-CG 4.44Å; L356-M431 HydrophobicContact CD2-CE 3.74Å
357L91.4Very high92.9Very high15 Ų1535 Ų358%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-109.9144-173-59.9176.6000111.4F77 Y102 T355 I381 L382 A383F77-L357 HydrophobicContact CD1-CD2 4.21Å; F77-L357 HydrophobicContact CE1-CD1 4.45Å; F77-L357 HydrophobicContact CE1-CD2 3.94Å; Y102-L357 HydrophobicContact CD1-CB 4.21Å; Y102-L357 HydrophobicContact CD1-CD1 4.26Å; Y102-L357 HydrophobicContact CE1-CB 4.19Å; Y102-L357 HydrophobicContact CE1-CD1 3.42Å; Y102-L357 VanDerWaalsContact CE1-CD1 3.42Å; Y102-L357 HydrophobicContact CE1-CG 4.43Å; Y102-L357 HydrophobicContact CE2-CD1 4.14Å; Y102-L357 VanDerWaalsContact OH-CD1 3.25Å; Y102-L357 WeakPolarHBondContact OH-CD1 3.42Å; T355-L357 HydrophobicContact CG2-CD2 3.57Å; T355-L357 HydrophobicContact CG2-CG 4.02Å; L357-I381 HydrophobicContact CB-CG2 4.23Å; L357-I381 HydrophobicContact CD2-CG2 3.83Å; L357-I381 HydrophobicContact CG-CG2 4.49Å; L357-L382 CarbonylContact C-O 3.53Å; L357-L382 WeakPolarHBondContact CA-O 3.44Å; L357-A383 HydrophobicContact CD2-CB 3.53Å
358R90.8Very high92.8Very high4 Ų435.4 Ų35.42%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-137.4135.2172.1-60.8-66.4-178.3-90.71.7109.4L97 I381 L382 S438L97-R358 HydrophobicContact CB-CB 3.94Å; L97-R358 HydrophobicContact CB-CG 4.11Å; L97-R358 HydrophobicContact CD2-CB 4.03Å; L97-R358 HydrophobicContact CG-CB 4.47Å; R358-I381 CarbonylContact O-C 3.55Å; R358-I381 WeakPolarHBondContact O-CA 3.43Å; R358-L382 HydrophobicContact CB-CB 4.32Å; R358-L382 PolarHBondContact N-O 3.34Å; R358-L382 PolarHBondContact O-N 3.13Å; R358-S438 PolarHBondContact NH1-OG 3.46Å; R358-S438 PolarHBondContact NH2-OG 3.29Å
359L91.6Very high92.7Very high22 Ų2237.2 Ų37.212%0.11520%0.199CC..EExtended strand (participates in β ladder)trans-84.5129.1170.2-178.460.1000109.1D98 Q101 H361D98-L359 PolarHBondContact N-O 3.16Å; D98-L359 PolarHBondContact O-N 3.01Å; Q101-L359 HydrophobicContact CB-CD2 4.23Å; L359-H361 VanDerWaalsContact CD2-CE1 3.45Å; L359-H361 WeakPolarHBondContact CD2-CE1 3.26Å; L359-H361 WeakPolarHBondContact CD2-NE2 3.43Å; L359-H361 PolarHBondContact O-CD2 3.33Å; L359-H361 PolarHBondContact O-N 2.87Å
360V93.3Very high92.3Very high2 Ų241.6 Ų41.61%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-80.2109.2174.8-175.70000108.6L97 E362 Y364 F376 R377 R378 G379 D380 L382L97-V360 HydrophobicContact CD2-CG2 4.04Å; V360-E362 WeakPolarHBondContact CG1-O 3.42Å; V360-Y364 HydrophobicContact CG1-CD1 3.87Å; V360-Y364 HydrophobicContact CG1-CE1 4.07Å; V360-Y364 HydrophobicContact CG2-CE1 4.29Å; V360-F376 HydrophobicContact CG1-CB 4.37Å; V360-F376 HydrophobicContact CG2-CB 4.26Å; V360-R377 WeakPolarHBondContact CB-O 3.18Å; V360-R377 WeakPolarHBondContact CG1-O 3.4Å; V360-R378 WeakPolarHBondContact O-CA 3.46Å; V360-G379 PolarHBondContact O-N 3.44Å; V360-D380 WeakPolarHBondContact CB-O 3.42Å; V360-D380 WeakPolarHBondContact CG2-O 3.4Å; V360-D380 PolarHBondContact N-O 3.18Å; V360-L382 HydrophobicContact CG2-CB 4.3Å
361H90.2Very high92.1Very high49 Ų4943 Ų4323%0.22725%0.246CC..  trans-82-28.5-178.2-83.1-72.2000114K96 D98 Q101 L359 R378K96-H361 PolarHBondContact O-N 3.4Å; D98-H361 WeakPolarHBondContact CB-CD2 3.4Å; D98-H361 WeakPolarHBondContact CB-NE2 3.39Å; D98-H361 IonicContact OD2-CD2 2.8Å; D98-H361 IonicContact OD2-NE2 3.38Å; Q101-H361 PolarHBondContact NE2-CE1 3.45Å; Q101-H361 PolarHBondContact NE2-NE2 3.49Å; Q101-H361 PolarHBondContact OE1-CE1 3.31Å; L359-H361 VanDerWaalsContact CD2-CE1 3.45Å; L359-H361 WeakPolarHBondContact CD2-CE1 3.26Å; L359-H361 WeakPolarHBondContact CD2-NE2 3.43Å; L359-H361 PolarHBondContact O-CD2 3.33Å; L359-H361 PolarHBondContact O-N 2.87Å; H361-R378 WeakPolarHBondContact O-CD 3.33Å; H361-R378 VanDerWaalsContact O-CG 3.22Å; H361-R378 WeakPolarHBondContact O-CG 3.49Å; H361-R378 PolarHBondContact O-NE 2.89Å
362E91.3Very high92.1Very high114 Ų11442.9 Ų42.953%0.53325%0.25SS..SBendtrans-142147.2-179.1-65.2-177.8-177.100109.2K96 V360 Y364K96-E362 HydrophobicContact CD-CB 4.29Å; K96-E362 HydrophobicContact CG-CB 4.44Å; V360-E362 WeakPolarHBondContact CG1-O 3.42Å; E362-Y364 PolarHBondContact O-N 3.22Å
363D93.4Very high92.4Very high63 Ų6346.2 Ų46.234%0.33726%0.262SS..  trans-55.4127.5173-76.620.4000108.7R29 L375 F376 R377 R378R29-D363 IonicContact NH1-OD2 3Å; R29-D363 PolarHBondContact NH1-OD2 2.99Å; D363-L375 HydrophobicContact CB-CD1 4.31Å; D363-F376 WeakPolarHBondContact CA-O 3.46Å; D363-R377 WeakPolarHBondContact OD1-CA 3.17Å; D363-R377 WeakPolarHBondContact OD1-CG 3.38Å; D363-R378 VanDerWaalsContact OD1-CB 3.26Å; D363-R378 WeakPolarHBondContact OD1-CB 3.35Å; D363-R378 PolarHBondContact OD1-N 3.32Å
364Y91.3Very high92.6Very high11 Ų1145 Ų454%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-147.7150-179.788.8-80.6000112.5K96 L97 V360 E362 L366 F376 L382K96-Y364 HydrophobicContact CB-CD1 4.38Å; K96-Y364 HydrophobicContact CB-CG 4.39Å; K96-Y364 VanDerWaalsContact CD-CB 3.41Å; K96-Y364 HydrophobicContact CD-CG 4.16Å; L97-Y364 WeakPolarHBondContact CD1-OH 3.47Å; L97-Y364 HydrophobicContact CD2-CE1 3.5Å; L97-Y364 HydrophobicContact CG-CE1 4.08Å; V360-Y364 HydrophobicContact CG1-CD1 3.87Å; V360-Y364 HydrophobicContact CG1-CE1 4.07Å; V360-Y364 HydrophobicContact CG2-CE1 4.29Å; E362-Y364 PolarHBondContact O-N 3.22Å; Y364-L366 HydrophobicContact CE2-CB 4.06Å; Y364-F376 HydrophobicContact CD1-CB 3.94Å; Y364-F376 HydrophobicContact CD1-CD2 4.28Å; Y364-F376 HydrophobicContact CD2-CD2 4.5Å; Y364-F376 HydrophobicContact CE1-CB 3.61Å; Y364-F376 AromaticContact CE1-CD2 3.57Å; Y364-F376 HydrophobicContact CE1-CD2 3.57Å; Y364-F376 AromaticContact CE1-CG 3.93Å; Y364-F376 HydrophobicContact CE1-CG 3.93Å; Y364-F376 AromaticContact CE2-CD2 3.85Å; Y364-F376 HydrophobicContact CE2-CD2 3.85Å; Y364-F376 HydrophobicContact CE2-CE2 4.3Å; Y364-F376 AromaticContact CZ-CD2 3.31Å; Y364-F376 AromaticContact CZ-CE2 3.89Å; Y364-F376 PolarHBondContact N-O 3.31Å; Y364-F376 VanDerWaalsContact N-O 3.07Å; Y364-F376 PolarHBondContact O-N 2.87Å; Y364-F376 VanDerWaalsContact OH-CD2 3.27Å; Y364-F376 WeakPolarHBondContact OH-CD2 3.4Å; Y364-F376 WeakPolarHBondContact OH-CE2 3.38Å; Y364-L382 VanDerWaalsContact OH-CD2 3.25Å; Y364-L382 WeakPolarHBondContact OH-CD2 3.41Å
365T93.8Very high92.8Very high43 Ų4344.7 Ų44.726%0.26424%0.244SC..EExtended strand (participates in β ladder)trans-103.3131.8179.6-580000109.8E373 Y374T365-E373 HydrophobicContact CG2-CB 3.87Å; T365-E373 HydrophobicContact CG2-CG 4.33Å; T365-Y374 CarbonylContact C-O 3.56Å; T365-Y374 VanDerWaalsContact CA-O 3.28Å; T365-Y374 WeakPolarHBondContact CA-O 3.37Å
366L93.4Very high93Very high9 Ų943 Ų435%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-114.4132171.8-177.866000109.7P88 I89 Y364 M368 E373 Y374 F376P88-L366 HydrophobicContact CB-CD1 3.72Å; P88-L366 HydrophobicContact CG-CD1 4.19Å; I89-L366 HydrophobicContact CD1-CD2 3.69Å; I89-L366 HydrophobicContact CG1-CD2 3.67Å; Y364-L366 HydrophobicContact CE2-CB 4.06Å; L366-M368 HydrophobicContact CD2-SD 3.92Å; L366-M368 HydrophobicContact CG-SD 4.25Å; L366-E373 WeakPolarHBondContact O-CA 3.2Å; L366-Y374 PolarHBondContact N-O 3.24Å; L366-Y374 PolarHBondContact O-N 3.06Å; L366-F376 HydrophobicContact CB-CD2 4.13Å; L366-F376 HydrophobicContact CB-CE2 3.44Å; L366-F376 VanDerWaalsContact CB-CE2 3.44Å; L366-F376 HydrophobicContact CB-CZ 4.41Å; L366-F376 HydrophobicContact CD2-CE2 3.78Å; L366-F376 HydrophobicContact CD2-CZ 4.22Å; L366-F376 HydrophobicContact CG-CE2 4.26Å
367K94.5Very high93.2Very high133 Ų13343.9 Ų43.958%0.57824%0.237SC*.EExtended strand (participates in β ladder)trans-88.2120.1167.7-172.2171.5-177.9172.30109.5E373K367-E373 HydrophobicContact CB-CG 3.98Å; K367-E373 HydrophobicContact CG-CG 4.04Å
368M93.7Very high93.3Very high9 Ų951.8 Ų51.84%0.04427%0.265CS..  trans-74.2161.1176.3-55.1-52.8-67.700110.7V67 V80 D82 S85 L366 S370 G371 Q372 Y374V67-M368 HydrophobicContact CG2-CE 3.56Å; V67-M368 HydrophobicContact CG2-SD 4.19Å; V80-M368 HydrophobicContact CG1-CE 3.6Å; D82-M368 HydrophobicContact CB-CE 4.45Å; S85-M368 VanDerWaalsContact OG-CE 3.31Å; S85-M368 WeakPolarHBondContact OG-CE 3.16Å; L366-M368 HydrophobicContact CD2-SD 3.92Å; L366-M368 HydrophobicContact CG-SD 4.25Å; M368-S370 PolarHBondContact O-N 2.89Å; M368-G371 WeakPolarHBondContact O-CA 3.3Å; M368-G371 PolarHBondContact O-N 2.97Å; M368-Q372 WeakPolarHBondContact CB-O 3.1Å; M368-Q372 WeakPolarHBondContact CG-O 3.3Å; M368-Q372 PolarHBondContact N-O 2.92Å; M368-Y374 HydrophobicContact CG-CD2 3.56Å; M368-Y374 HydrophobicContact CG-CE2 3.73Å; M368-Y374 HydrophobicContact SD-CD2 4.03Å
369A91.8Very high93.3Very high48 Ų4854 Ų5440%0.39729%0.29SS..THydrogen-bonded Turntrans-62.5-23.6174.200000112.9L84 S85 G371L84-A369 HydrophobicContact CB-CB 3.51Å; S85-A369 WeakPolarHBondContact OG-CB 3.4Å; S85-A369 PolarHBondContact OG-N 3.41Å; A369-G371 PolarHBondContact O-N 3.18Å
370S89.9Confident93.4Very high91 Ų9153.3 Ų53.364%0.63629%0.286SS*.THydrogen-bonded Turntrans-70-11.8170.463.60000113.7M368 Q372M368-S370 PolarHBondContact O-N 2.89Å; S370-Q372 VanDerWaalsContact C-N 3.35Å; S370-Q372 PolarHBondContact OG-N 3.41Å
371G92.3Very high93.4Very high40 Ų4053.4 Ų53.441%0.41229%0.286SS..SBendtrans91.3-12.8-174.600000114.3M368 A369M368-G371 WeakPolarHBondContact O-CA 3.3Å; M368-G371 PolarHBondContact O-N 2.97Å; A369-G371 PolarHBondContact O-N 3.18Å
372Q94.2Very high93.6Very high101 Ų10151.1 Ų51.147%0.47228%0.276SS..  trans-69.6144.9175.8-174.4165.69.700111.5M368 S370 Y374M368-Q372 WeakPolarHBondContact CB-O 3.1Å; M368-Q372 WeakPolarHBondContact CG-O 3.3Å; M368-Q372 PolarHBondContact N-O 2.92Å; S370-Q372 VanDerWaalsContact C-N 3.35Å; S370-Q372 PolarHBondContact OG-N 3.41Å; Q372-Y374 HydrophobicContact CB-CE2 4.36Å; Q372-Y374 HydrophobicContact CG-CD2 4.39Å; Q372-Y374 HydrophobicContact CG-CE1 4.45Å; Q372-Y374 HydrophobicContact CG-CE2 3.83Å; Q372-Y374 PolarHBondContact NE2-OH 3.28Å; Q372-Y374 PolarHBondContact OE1-OH 2.59Å
373E95.9Very high93.8Very high90 Ų9045.7 Ų45.742%0.42125%0.251SS..EExtended strand (participates in β ladder)trans-110.2135.5176.5-69.8-177.1-178.200111.3T365 L366 K367T365-E373 HydrophobicContact CG2-CB 3.87Å; T365-E373 HydrophobicContact CG2-CG 4.33Å; L366-E373 WeakPolarHBondContact O-CA 3.2Å; K367-E373 HydrophobicContact CB-CG 3.98Å; K367-E373 HydrophobicContact CG-CG 4.04Å
374Y96.8Very high93.9Very high21 Ų2142.9 Ų42.98%0.08224%0.235CC..EExtended strand (participates in β ladder)trans-122.7134.7175.1-67.8-75.2000111.4R31 P33 V67 T365 L366 M368 Q372R31-Y374 CarbonylContact O-C 3.59Å; R31-Y374 VanDerWaalsContact O-CA 3.29Å; R31-Y374 WeakPolarHBondContact O-CA 3.5Å; P33-Y374 HydrophobicContact CB-CD1 4.18Å; P33-Y374 HydrophobicContact CB-CE1 4.42Å; P33-Y374 HydrophobicContact CG-CD1 3.76Å; P33-Y374 HydrophobicContact CG-CE1 4.45Å; P33-Y374 HydrophobicContact CG-CG 4.07Å; V67-Y374 HydrophobicContact CB-CD2 4.17Å; V67-Y374 HydrophobicContact CB-CE2 3.74Å; V67-Y374 HydrophobicContact CG1-CD2 4Å; V67-Y374 HydrophobicContact CG1-CE2 4.08Å; V67-Y374 HydrophobicContact CG1-CG 4.21Å; V67-Y374 HydrophobicContact CG2-CD2 4.06Å; V67-Y374 HydrophobicContact CG2-CE2 3.65Å; T365-Y374 CarbonylContact C-O 3.56Å; T365-Y374 VanDerWaalsContact CA-O 3.28Å; T365-Y374 WeakPolarHBondContact CA-O 3.37Å; L366-Y374 PolarHBondContact N-O 3.24Å; L366-Y374 PolarHBondContact O-N 3.06Å; M368-Y374 HydrophobicContact CG-CD2 3.56Å; M368-Y374 HydrophobicContact CG-CE2 3.73Å; M368-Y374 HydrophobicContact SD-CD2 4.03Å; Q372-Y374 HydrophobicContact CB-CE2 4.36Å; Q372-Y374 HydrophobicContact CG-CD2 4.39Å; Q372-Y374 HydrophobicContact CG-CE1 4.45Å; Q372-Y374 HydrophobicContact CG-CE2 3.83Å; Q372-Y374 PolarHBondContact NE2-OH 3.28Å; Q372-Y374 PolarHBondContact OE1-OH 2.59Å
375L96.6Very high94.1Very high27 Ų2742.5 Ų42.514%0.14123%0.234CC..EExtended strand (participates in β ladder)trans-86119.6169179.467.1000109.1R31 E32 P33 D363R31-L375 HydrophobicContact CB-CB 4.25Å; R31-L375 PolarHBondContact O-N 3.37Å; E32-L375 WeakPolarHBondContact CA-O 3.12Å; E32-L375 HydrophobicContact CG-CB 4.35Å; E32-L375 HydrophobicContact CG-CD2 4.39Å; E32-L375 HydrophobicContact CG-CG 4.5Å; E32-L375 WeakPolarHBondContact CG-O 3.28Å; P33-L375 WeakPolarHBondContact CD-O 3.41Å; D363-L375 HydrophobicContact CB-CD1 4.31Å
376F95.6Very high94.2Very high2 Ų240.4 Ų40.41%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-96.6131.1170.2-59.6-71.4000109.6P33 V67 T78 V80 V360 D363 Y364 L366 L382P33-F376 HydrophobicContact CG-CD1 4.44Å; P33-F376 HydrophobicContact CG-CE1 4.14Å; V67-F376 HydrophobicContact CG1-CE1 4.45Å; T78-F376 HydrophobicContact CG2-CD1 3.75Å; T78-F376 HydrophobicContact CG2-CE1 3.46Å; T78-F376 VanDerWaalsContact CG2-CE1 3.46Å; V80-F376 HydrophobicContact CG2-CE1 4.21Å; V80-F376 HydrophobicContact CG2-CZ 3.92Å; V360-F376 HydrophobicContact CG1-CB 4.37Å; V360-F376 HydrophobicContact CG2-CB 4.26Å; D363-F376 WeakPolarHBondContact CA-O 3.46Å; Y364-F376 HydrophobicContact CD1-CB 3.94Å; Y364-F376 HydrophobicContact CD1-CD2 4.28Å; Y364-F376 HydrophobicContact CD2-CD2 4.5Å; Y364-F376 HydrophobicContact CE1-CB 3.61Å; Y364-F376 AromaticContact CE1-CD2 3.57Å; Y364-F376 HydrophobicContact CE1-CD2 3.57Å; Y364-F376 AromaticContact CE1-CG 3.93Å; Y364-F376 HydrophobicContact CE1-CG 3.93Å; Y364-F376 AromaticContact CE2-CD2 3.85Å; Y364-F376 HydrophobicContact CE2-CD2 3.85Å; Y364-F376 HydrophobicContact CE2-CE2 4.3Å; Y364-F376 AromaticContact CZ-CD2 3.31Å; Y364-F376 AromaticContact CZ-CE2 3.89Å; Y364-F376 PolarHBondContact N-O 3.31Å; Y364-F376 VanDerWaalsContact N-O 3.07Å; Y364-F376 PolarHBondContact O-N 2.87Å; Y364-F376 VanDerWaalsContact OH-CD2 3.27Å; Y364-F376 WeakPolarHBondContact OH-CD2 3.4Å; Y364-F376 WeakPolarHBondContact OH-CE2 3.38Å; L366-F376 HydrophobicContact CB-CD2 4.13Å; L366-F376 HydrophobicContact CB-CE2 3.44Å; L366-F376 VanDerWaalsContact CB-CE2 3.44Å; L366-F376 HydrophobicContact CB-CZ 4.41Å; L366-F376 HydrophobicContact CD2-CE2 3.78Å; L366-F376 HydrophobicContact CD2-CZ 4.22Å; L366-F376 HydrophobicContact CG-CE2 4.26Å; F376-L382 HydrophobicContact CD1-CD1 3.76Å; F376-L382 HydrophobicContact CE1-CD1 3.42Å; F376-L382 VanDerWaalsContact CE1-CD1 3.42Å; F376-L382 HydrophobicContact CE2-CD1 4.41Å; F376-L382 HydrophobicContact CG-CD1 4.43Å; F376-L382 HydrophobicContact CZ-CD1 3.78Å
377R94.7Very high94.3Very high28 Ų2841.5 Ų41.511%0.10623%0.225CC..PPolyproline II helixtrans-87.3139.5-176.2-160.5-177.4-58.4-179.36.5111.2R26 Q27 R29 E32 V360 D363 G379 D380R26-R377 VanDerWaalsContact CD-NH1 3.27Å; R26-R377 VanDerWaalsContact CZ-CD 3.48Å; R26-R377 VanDerWaalsContact CZ-NH1 3.31Å; R26-R377 VanDerWaalsContact NH1-CD 3.34Å; R26-R377 VanDerWaalsContact NH2-CZ 3.3Å; Q27-R377 PolarHBondContact O-NH2 2.77Å; R29-R377 VanDerWaalsContact CG-NH2 3.32Å; R29-R377 VanDerWaalsContact CZ-NE 3.33Å; E32-R377 IonicContact OE1-CZ 3.68Å; E32-R377 IonicContact OE1-NE 2.78Å; E32-R377 PolarHBondContact OE1-NE 3.08Å; E32-R377 IonicContact OE1-NH2 3.98Å; E32-R377 PolarHBondContact OE1-NH2 3.18Å; E32-R377 IonicContact OE2-CZ 3.14Å; E32-R377 IonicContact OE2-NH2 3.88Å; E32-R377 PolarHBondContact OE2-NH2 2.89Å; V360-R377 WeakPolarHBondContact CB-O 3.18Å; V360-R377 WeakPolarHBondContact CG1-O 3.4Å; D363-R377 WeakPolarHBondContact OD1-CA 3.17Å; D363-R377 WeakPolarHBondContact OD1-CG 3.38Å; R377-G379 PolarHBondContact O-N 2.87Å; R377-D380 VanDerWaalsContact O-CB 3.32Å; R377-D380 WeakPolarHBondContact O-CB 3.35Å; R377-D380 PolarHBondContact O-N 2.78Å; R377-D380 VanDerWaalsContact O-N 3.11Å
378R93.9Very high94.3Very high180 Ų18036 Ų3668%0.67920%0.202SC*.THydrogen-bonded Turntrans-47.8133.2166.8174.3173.8-178.8-162.9-0.5111.1V360 H361 D363 D380V360-R378 WeakPolarHBondContact O-CA 3.46Å; H361-R378 WeakPolarHBondContact O-CD 3.33Å; H361-R378 VanDerWaalsContact O-CG 3.22Å; H361-R378 WeakPolarHBondContact O-CG 3.49Å; H361-R378 PolarHBondContact O-NE 2.89Å; D363-R378 VanDerWaalsContact OD1-CB 3.26Å; D363-R378 WeakPolarHBondContact OD1-CB 3.35Å; D363-R378 PolarHBondContact OD1-N 3.32Å; R378-D380 VanDerWaalsContact C-N 3.29Å
379G91.3Very high94.4Very high51 Ų5135.5 Ų35.553%0.52620%0.199SC..THydrogen-bonded Turntrans87.8-14.6179.600000114.4V360 R377V360-G379 PolarHBondContact O-N 3.44Å; R377-G379 PolarHBondContact O-N 2.87Å
380D93.3Very high94.6Very high7 Ų733.2 Ų33.24%0.03718%0.181CC..PPolyproline II helixtrans-72.8155.3171.4-62.6-4.3000109.8R26 V360 R377 R378R26-D380 IonicContact CZ-OD1 3.4Å; R26-D380 IonicContact CZ-OD2 2.77Å; R26-D380 IonicContact NH1-OD1 2.79Å; R26-D380 PolarHBondContact NH1-OD1 3Å; R26-D380 IonicContact NH1-OD2 3.5Å; R26-D380 IonicContact NH2-OD1 3.78Å; R26-D380 PolarHBondContact NH2-OD1 2.88Å; R26-D380 IonicContact NH2-OD2 2.83Å; R26-D380 PolarHBondContact NH2-OD2 2.89Å; V360-D380 WeakPolarHBondContact CB-O 3.42Å; V360-D380 WeakPolarHBondContact CG2-O 3.4Å; V360-D380 PolarHBondContact N-O 3.18Å; R377-D380 VanDerWaalsContact O-CB 3.32Å; R377-D380 WeakPolarHBondContact O-CB 3.35Å; R377-D380 PolarHBondContact O-N 2.78Å; R377-D380 VanDerWaalsContact O-N 3.11Å; R378-D380 VanDerWaalsContact C-N 3.29Å
381I93.1Very high94.9Very high4 Ų428.9 Ų28.92%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-100.6118.1174.7-61.7166.6000107.8Q75 Y76 F77 T78 Y102 L357 R358Q75-I381 HydrophobicContact CB-CD1 4.31Å; Y76-I381 PolarHBondContact O-N 2.88Å; F77-I381 CarbonylContact C-O 3.59Å; F77-I381 VanDerWaalsContact CA-O 3.27Å; F77-I381 WeakPolarHBondContact CA-O 3.17Å; F77-I381 HydrophobicContact CD1-CB 3.9Å; F77-I381 HydrophobicContact CD1-CD1 4.47Å; F77-I381 HydrophobicContact CD1-CG2 3.68Å; F77-I381 HydrophobicContact CD2-CD1 4.46Å; F77-I381 HydrophobicContact CE1-CB 3.97Å; F77-I381 HydrophobicContact CE1-CD1 3.83Å; F77-I381 HydrophobicContact CE1-CG2 3.58Å; F77-I381 HydrophobicContact CE2-CD1 3.82Å; F77-I381 HydrophobicContact CG-CB 4.27Å; F77-I381 HydrophobicContact CZ-CB 4.41Å; F77-I381 HydrophobicContact CZ-CD1 3.46Å; F77-I381 VanDerWaalsContact CZ-CD1 3.46Å; F77-I381 HydrophobicContact CZ-CG2 4.36Å; T78-I381 PolarHBondContact N-O 3.27Å; Y102-I381 HydrophobicContact CD2-CD1 4.4Å; Y102-I381 HydrophobicContact CE2-CD1 3.96Å; L357-I381 HydrophobicContact CB-CG2 4.23Å; L357-I381 HydrophobicContact CD2-CG2 3.83Å; L357-I381 HydrophobicContact CG-CG2 4.49Å; R358-I381 CarbonylContact O-C 3.55Å; R358-I381 WeakPolarHBondContact O-CA 3.43Å
382L94.9Very high95.1Very high2 Ų227.9 Ų27.91%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-84.2129.8171-170.468.9000109T78 V80 I89 L97 L357 R358 V360 Y364 F376T78-L382 HydrophobicContact CG2-CD1 4.15Å; T78-L382 CarbonylContact O-C 3.6Å; T78-L382 WeakPolarHBondContact O-CA 3.28Å; V80-L382 HydrophobicContact CG2-CD1 3.72Å; I89-L382 HydrophobicContact CB-CD2 4.45Å; I89-L382 HydrophobicContact CD1-CD2 4.03Å; I89-L382 HydrophobicContact CG1-CD2 4Å; I89-L382 HydrophobicContact CG2-CD2 3.67Å; I89-L382 HydrophobicContact CG2-CG 4.49Å; L97-L382 HydrophobicContact CD1-CD2 3.95Å; L97-L382 HydrophobicContact CD2-CB 4.41Å; L97-L382 HydrophobicContact CD2-CD2 3.81Å; L357-L382 CarbonylContact C-O 3.53Å; L357-L382 WeakPolarHBondContact CA-O 3.44Å; R358-L382 HydrophobicContact CB-CB 4.32Å; R358-L382 PolarHBondContact N-O 3.34Å; R358-L382 PolarHBondContact O-N 3.13Å; V360-L382 HydrophobicContact CG2-CB 4.3Å; Y364-L382 VanDerWaalsContact OH-CD2 3.25Å; Y364-L382 WeakPolarHBondContact OH-CD2 3.41Å; F376-L382 HydrophobicContact CD1-CD1 3.76Å; F376-L382 HydrophobicContact CE1-CD1 3.42Å; F376-L382 VanDerWaalsContact CE1-CD1 3.42Å; F376-L382 HydrophobicContact CE2-CD1 4.41Å; F376-L382 HydrophobicContact CG-CD1 4.43Å; F376-L382 HydrophobicContact CZ-CD1 3.78Å
383A94.9Very high95.2Very high0 Ų023.4 Ų23.40%012%0.115CC..EExtended strand (participates in β ladder)trans-127.9132.9-174.400000111.4F77 T78 F79 V80 T355 L356 L357F77-A383 HydrophobicContact CD1-CB 4.3Å; T78-A383 PolarHBondContact O-N 3.4Å; F79-A383 VanDerWaalsContact CA-O 3.32Å; F79-A383 WeakPolarHBondContact CA-O 3.41Å; F79-A383 HydrophobicContact CD1-CB 3.72Å; F79-A383 HydrophobicContact CE1-CB 3.59Å; F79-A383 HydrophobicContact CG-CB 4.3Å; F79-A383 HydrophobicContact CZ-CB 4.07Å; V80-A383 PolarHBondContact N-O 3.35Å; T355-A383 HydrophobicContact CG2-CB 4.41Å; L356-A383 CarbonylContact O-C 3.57Å; L356-A383 WeakPolarHBondContact O-CA 3.35Å; L357-A383 HydrophobicContact CD2-CB 3.53Å
384L96Very high95.2Very high3 Ų323 Ų232%0.01612%0.121CC..EExtended strand (participates in β ladder)trans-109.7139.5166.3-44.6179.3000108.4V80 F86 I89 L90 L356 P386V80-L384 HydrophobicContact CB-CD2 3.72Å; V80-L384 HydrophobicContact CG1-CD2 4.25Å; V80-L384 WeakPolarHBondContact O-CD2 3.45Å; F86-L384 HydrophobicContact CB-CD1 4.33Å; F86-L384 HydrophobicContact CD1-CD1 4.02Å; F86-L384 HydrophobicContact CD1-CD2 3.86Å; F86-L384 HydrophobicContact CD1-CG 4.45Å; F86-L384 HydrophobicContact CD2-CD1 4.26Å; F86-L384 HydrophobicContact CE1-CB 4.39Å; F86-L384 HydrophobicContact CE1-CD1 4.39Å; F86-L384 HydrophobicContact CE1-CD2 3.8Å; F86-L384 HydrophobicContact CE1-CG 4.42Å; F86-L384 HydrophobicContact CG-CD1 3.95Å; F86-L384 HydrophobicContact CZ-CB 4.27Å; F86-L384 HydrophobicContact CZ-CD2 4.49Å; I89-L384 HydrophobicContact CD1-CD2 3.94Å; I89-L384 HydrophobicContact CG2-CD1 4.06Å; I89-L384 HydrophobicContact CG2-CD2 4.25Å; I89-L384 HydrophobicContact CG2-CG 4.34Å; L90-L384 HydrophobicContact CD2-CD1 3.69Å; L90-L384 HydrophobicContact CG-CD1 4.02Å; L356-L384 HydrophobicContact CB-CB 4.18Å; L356-L384 PolarHBondContact N-O 2.77Å; L356-L384 PolarHBondContact O-N 3.47Å; L384-P386 WeakPolarHBondContact O-CD 3.04Å
385F96Very high95.1Very high3 Ų327 Ų271%0.01314%0.143CC..  trans-122.684.5173.4-172-129.4000109.8M53 F54 L57 M81 A353 Y387 L388 S389M53-F385 HydrophobicContact CE-CD2 4.04Å; M53-F385 HydrophobicContact CE-CE1 4.42Å; M53-F385 HydrophobicContact CE-CE2 3.33Å; M53-F385 HydrophobicContact CE-CZ 3.56Å; F54-F385 HydrophobicContact CD2-CE1 4.28Å; L57-F385 HydrophobicContact CD1-CB 3.98Å; L57-F385 HydrophobicContact CD1-CD1 3.45Å; L57-F385 VanDerWaalsContact CD1-CD1 3.45Å; L57-F385 HydrophobicContact CD1-CE1 4.06Å; L57-F385 HydrophobicContact CD1-CG 3.78Å; M81-F385 HydrophobicContact CE-CB 4.48Å; A353-F385 HydrophobicContact CB-CE2 3.98Å; A353-F385 HydrophobicContact CB-CZ 4.18Å; F385-Y387 HydrophobicContact CE1-CD1 4.24Å; F385-Y387 HydrophobicContact CZ-CD1 4.06Å; F385-Y387 HydrophobicContact CZ-CG 4.22Å; F385-Y387 PolarHBondContact O-N 2.82Å; F385-L388 HydrophobicContact CD1-CB 3.61Å; F385-L388 HydrophobicContact CE1-CB 3.83Å; F385-L388 PolarHBondContact O-N 2.78Å; F385-S389 WeakPolarHBondContact O-CB 3.4Å; F385-S389 PolarHBondContact O-N 2.81Å; F385-S389 PolarHBondContact O-OG 2.8Å
386P95.4Very high95.1Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-60.3-27.7-174.8-2636000114P354 L356 L384 L388 S389 V390 H391 M431P354-P386 WeakPolarHBondContact O-CD 3.5Å; L356-P386 HydrophobicContact CD1-CG 3.77Å; L356-P386 HydrophobicContact CD2-CG 4.44Å; L384-P386 WeakPolarHBondContact O-CD 3.04Å; P386-L388 PolarHBondContact O-N 2.78Å; P386-S389 PolarHBondContact O-N 2.85Å; P386-V390 CarbonylContact O-C 3.48Å; P386-V390 WeakPolarHBondContact O-CA 3.17Å; P386-V390 VanDerWaalsContact O-CB 3.28Å; P386-V390 WeakPolarHBondContact O-CB 3.41Å; P386-V390 PolarHBondContact O-N 3.2Å; P386-H391 PolarHBondContact O-N 2.85Å; P386-M431 HydrophobicContact CB-CB 3.72Å; P386-M431 HydrophobicContact CB-CG 4.18Å; P386-M431 HydrophobicContact CB-SD 3.8Å; P386-M431 HydrophobicContact CG-CB 3.96Å; P386-M431 HydrophobicContact CG-CE 4.19Å; P386-M431 HydrophobicContact CG-CG 4.47Å; P386-M431 HydrophobicContact CG-SD 3.75Å
387Y95.6Very high95.2Very high32 Ų3225.9 Ų25.913%0.12514%0.138CC..Iπ-helixtrans-54.3-56.1178.3-173.4-103.8000111.5F54 L350 A352 A353 F385 H391 V392F54-Y387 AromaticContact CD2-CD1 3.7Å; F54-Y387 HydrophobicContact CD2-CD1 3.7Å; F54-Y387 AromaticContact CD2-CE1 3.72Å; F54-Y387 HydrophobicContact CD2-CE1 3.72Å; F54-Y387 AromaticContact CE2-CD1 3.86Å; F54-Y387 HydrophobicContact CE2-CD1 3.86Å; F54-Y387 AromaticContact CE2-CE1 3.69Å; F54-Y387 HydrophobicContact CE2-CE1 3.69Å; L350-Y387 VanDerWaalsContact O-CE2 3.25Å; L350-Y387 WeakPolarHBondContact O-CE2 3.4Å; L350-Y387 PolarHBondContact O-OH 2.81Å; L350-Y387 VanDerWaalsContact O-OH 3.11Å; A352-Y387 WeakPolarHBondContact O-CD2 3.36Å; A353-Y387 HydrophobicContact CB-CD2 4.26Å; A353-Y387 HydrophobicContact CB-CG 4.09Å; F385-Y387 HydrophobicContact CE1-CD1 4.24Å; F385-Y387 HydrophobicContact CZ-CD1 4.06Å; F385-Y387 HydrophobicContact CZ-CG 4.22Å; F385-Y387 PolarHBondContact O-N 2.82Å; Y387-H391 HydrophobicContact CD2-CB 4.13Å; Y387-H391 AromaticContact CD2-ND1 3.93Å; Y387-H391 WeakPolarHBondContact O-CB 3.32Å; Y387-H391 PolarHBondContact O-N 2.96Å; Y387-H391 VanDerWaalsContact O-N 3.17Å; Y387-V392 HydrophobicContact CD1-CG2 4.4Å; Y387-V392 HydrophobicContact CE1-CG1 3.99Å; Y387-V392 HydrophobicContact CE1-CG2 4.28Å; Y387-V392 HydrophobicContact CE2-CG1 3.94Å; Y387-V392 VanDerWaalsContact O-CG2 3.3Å; Y387-V392 WeakPolarHBondContact O-CG2 3.49Å; Y387-V392 PolarHBondContact O-N 3.16Å
388L95.2Very high95.2Very high16 Ų1628.6 Ų28.68%0.08416%0.159CC..Iπ-helixtrans-76.9-27179.3-179.256000113.6F54 L57 K58 R61 M81 F385 P386 V392F54-L388 HydrophobicContact CD2-CB 4.45Å; F54-L388 HydrophobicContact CD2-CD1 4.47Å; F54-L388 HydrophobicContact CE2-CB 4.31Å; F54-L388 HydrophobicContact CE2-CD1 3.74Å; F54-L388 HydrophobicContact CE2-CG 4.47Å; F54-L388 HydrophobicContact CZ-CD1 4.19Å; L57-L388 HydrophobicContact CB-CD2 3.98Å; K58-L388 HydrophobicContact CB-CD2 3.97Å; R61-L388 PolarHBondContact NH1-O 3.08Å; M81-L388 HydrophobicContact CE-CB 3.87Å; M81-L388 HydrophobicContact CE-CD2 3.5Å; M81-L388 HydrophobicContact CE-CG 3.71Å; F385-L388 HydrophobicContact CD1-CB 3.61Å; F385-L388 HydrophobicContact CE1-CB 3.83Å; F385-L388 PolarHBondContact O-N 2.78Å; P386-L388 PolarHBondContact O-N 2.78Å; L388-V392 HydrophobicContact CD1-CG2 4.34Å
389S95.1Very high95.4Very high0 Ų025.4 Ų25.40%015%0.152CC..Iπ-helixtrans-90.3-21.5-173.1-47.50000113.7M81 P83 F385 P386M81-S389 WeakPolarHBondContact CA-OG 3.31Å; M81-S389 WeakPolarHBondContact O-CB 3.49Å; M81-S389 PolarHBondContact O-OG 2.96Å; P83-S389 WeakPolarHBondContact CG-O 3.31Å; F385-S389 WeakPolarHBondContact O-CB 3.4Å; F385-S389 PolarHBondContact O-N 2.81Å; F385-S389 PolarHBondContact O-OG 2.8Å; P386-S389 PolarHBondContact O-N 2.85Å
390V96.1Very high95.6Very high0 Ų024 Ų240%013%0.133CC..Iπ-helixtrans-135-61.1-172.21770000109.8P83 F86 P386 V392 D393 I396 H397 H428 Y429 M431P83-V390 HydrophobicContact CB-CG2 3.65Å; P83-V390 HydrophobicContact CG-CG2 4.46Å; F86-V390 HydrophobicContact CE2-CG2 3.96Å; P386-V390 CarbonylContact O-C 3.48Å; P386-V390 WeakPolarHBondContact O-CA 3.17Å; P386-V390 VanDerWaalsContact O-CB 3.28Å; P386-V390 WeakPolarHBondContact O-CB 3.41Å; P386-V390 PolarHBondContact O-N 3.2Å; V390-V392 PolarHBondContact O-N 3.35Å; V390-D393 PolarHBondContact O-N 2.84Å; V390-I396 HydrophobicContact CG1-CD1 4.44Å; V390-H397 PolarHBondContact O-CD2 3.36Å; V390-H397 VanDerWaalsContact O-CD2 3.29Å; V390-H428 WeakPolarHBondContact CG1-O 3.31Å; V390-Y429 WeakPolarHBondContact CG1-O 3.14Å; V390-M431 HydrophobicContact CG2-SD 4.39Å
391H96.9Very high95.7Very high0 Ų029.1 Ų29.10%017%0.165CC..Iπ-helixtrans-65.1-43.3-165-62.4-176.3000112.4R349 A352 P386 Y387 H397 M431R349-H391 HydrophobicContact CG-CB 3.73Å; R349-H391 PolarHBondContact NH1-O 3.14Å; R349-H391 VanDerWaalsContact O-CB 3.26Å; R349-H391 WeakPolarHBondContact O-CB 3.11Å; R349-H391 PolarHBondContact O-ND1 3.11Å; A352-H391 PolarHBondContact O-ND1 3.33Å; P386-H391 PolarHBondContact O-N 2.85Å; Y387-H391 HydrophobicContact CD2-CB 4.13Å; Y387-H391 AromaticContact CD2-ND1 3.93Å; Y387-H391 WeakPolarHBondContact O-CB 3.32Å; Y387-H391 PolarHBondContact O-N 2.96Å; Y387-H391 VanDerWaalsContact O-N 3.17Å; H391-H397 PolarHBondContact O-CD2 3.27Å; H391-H397 VanDerWaalsContact O-CD2 3.28Å; H391-M431 PolarHBondContact NE2-N 2.92Å
392V95.8Very high95.9Very high19 Ų1931.8 Ų31.812%0.11518%0.181CC..THydrogen-bonded Turntrans-104.820.1179.6-56.80000113.8F54 Y387 L388 V390 P394 P400F54-V392 HydrophobicContact CE2-CG2 3.97Å; F54-V392 HydrophobicContact CZ-CG2 4.41Å; Y387-V392 HydrophobicContact CD1-CG2 4.4Å; Y387-V392 HydrophobicContact CE1-CG1 3.99Å; Y387-V392 HydrophobicContact CE1-CG2 4.28Å; Y387-V392 HydrophobicContact CE2-CG1 3.94Å; Y387-V392 VanDerWaalsContact O-CG2 3.3Å; Y387-V392 WeakPolarHBondContact O-CG2 3.49Å; Y387-V392 PolarHBondContact O-N 3.16Å; L388-V392 HydrophobicContact CD1-CG2 4.34Å; V390-V392 PolarHBondContact O-N 3.35Å; V392-P394 WeakPolarHBondContact O-CD 3.34Å; V392-P400 HydrophobicContact CB-CB 4.21Å; V392-P400 WeakPolarHBondContact O-CB 3.3Å; V392-P400 WeakPolarHBondContact O-CG 3.33Å
393D95.8Very high96.1Very high7 Ų732.2 Ų32.24%0.03718%0.183CC..  trans-80.9116.8176.9-168.9-45.6000110.1V390 D395 I396 H397 K421V390-D393 PolarHBondContact O-N 2.84Å; D393-D395 PolarHBondContact O-N 2.86Å; D393-D395 WeakPolarHBondContact OD1-CB 3.33Å; D393-D395 PolarHBondContact OD1-N 2.87Å; D393-I396 HydrophobicContact CB-CB 4.32Å; D393-I396 HydrophobicContact CB-CD1 3.96Å; D393-I396 HydrophobicContact CB-CG1 4.22Å; D393-I396 PolarHBondContact O-N 3.44Å; D393-I396 VanDerWaalsContact O-N 3.11Å; D393-H397 PolarHBondContact O-N 2.92Å; D393-K421 VanDerWaalsContact CG-NZ 3.27Å; D393-K421 IonicContact OD1-NZ 3.7Å; D393-K421 PolarHBondContact OD1-NZ 2.97Å; D393-K421 VanDerWaalsContact OD1-NZ 3.13Å; D393-K421 WeakPolarHBondContact OD2-CE 3.48Å; D393-K421 IonicContact OD2-NZ 2.87Å; D393-K421 PolarHBondContact OD2-NZ 3.37Å
394P95.7Very high96.2Very high82 Ų8235 Ų3553%0.53220%0.195SC..THydrogen-bonded Turntrans-67.6-20.9-175.727.7-34.9000113.9V392 I396 H397 P400V392-P394 WeakPolarHBondContact O-CD 3.34Å; P394-I396 VanDerWaalsContact C-N 3.26Å; P394-H397 WeakPolarHBondContact CA-O 3.31Å; P394-P400 HydrophobicContact CB-CG 4Å
395D94.7Very high96.3Very high104 Ų10437.6 Ų37.656%0.55621%0.205SC*.THydrogen-bonded Turntrans-71-28.8175.2-62.1-21.8000111.3D393 F420 K421D393-D395 PolarHBondContact O-N 2.86Å; D393-D395 WeakPolarHBondContact OD1-CB 3.33Å; D393-D395 PolarHBondContact OD1-N 2.87Å; D395-F420 VanDerWaalsContact O-O 3.1Å; D395-K421 HydrophobicContact CB-CG 4.14Å; D395-K421 IonicContact OD2-NZ 3.73Å; D395-K421 PolarHBondContact OD2-NZ 3.35Å
396I96.9Very high96.3Very high6 Ų641.1 Ų41.13%0.03122%0.224CC..THydrogen-bonded Turntrans-92.3-48.3-178.7-61.9171.8000110P83 V390 D393 P394 F419 K421 I426P83-I396 HydrophobicContact CG-CD1 4.15Å; V390-I396 HydrophobicContact CG1-CD1 4.44Å; D393-I396 HydrophobicContact CB-CB 4.32Å; D393-I396 HydrophobicContact CB-CD1 3.96Å; D393-I396 HydrophobicContact CB-CG1 4.22Å; D393-I396 PolarHBondContact O-N 3.44Å; D393-I396 VanDerWaalsContact O-N 3.11Å; P394-I396 VanDerWaalsContact C-N 3.26Å; I396-F419 HydrophobicContact CG2-CB 4.3Å; I396-F419 HydrophobicContact CG2-CD1 4.38Å; I396-K421 HydrophobicContact CD1-CB 4.4Å; I396-K421 HydrophobicContact CD1-CD 4.06Å; I396-K421 HydrophobicContact CG1-CB 3.93Å; I396-K421 HydrophobicContact CG1-CD 4.22Å; I396-K421 HydrophobicContact CG1-CG 4.31Å; I396-I426 HydrophobicContact CB-CD1 4.29Å; I396-I426 HydrophobicContact CD1-CD1 3.46Å; I396-I426 VanDerWaalsContact CD1-CD1 3.46Å; I396-I426 HydrophobicContact CG1-CD1 3.71Å; I396-I426 HydrophobicContact CG2-CD1 3.57Å
397H97.5Very high96.4Very high0 Ų042 Ų420%023%0.227CC..SBendtrans-12297.9-176.1-65.3-65.2000109.6V390 H391 D393 P394 E399 P400 F419 Y429V390-H397 PolarHBondContact O-CD2 3.36Å; V390-H397 VanDerWaalsContact O-CD2 3.29Å; H391-H397 PolarHBondContact O-CD2 3.27Å; H391-H397 VanDerWaalsContact O-CD2 3.28Å; D393-H397 PolarHBondContact O-N 2.92Å; P394-H397 WeakPolarHBondContact CA-O 3.31Å; H397-E399 PolarHBondContact O-N 3.37Å; H397-P400 HydrophobicContact CB-CB 4.41Å; H397-P400 WeakPolarHBondContact O-CA 3.41Å; H397-P400 WeakPolarHBondContact O-CB 3.32Å; H397-P400 VanDerWaalsContact O-CD 3.27Å; H397-P400 WeakPolarHBondContact O-CD 3.47Å; H397-F419 AromaticContact CE1-CD1 3.72Å; H397-F419 AromaticContact CE1-CE1 3.48Å; H397-F419 VanDerWaalsContact CE1-CE1 3.48Å; H397-F419 WeakPolarHBondContact CE1-CE1 3.18Å; H397-F419 AromaticContact ND1-CD1 3.91Å; H397-F419 AromaticContact ND1-CE1 3.56Å; H397-Y429 PolarHBondContact CE1-O 3.44Å; H397-Y429 PolarHBondContact NE2-O 3.43Å
398P95.7Very high96.5Very high84 Ų8440.5 Ų40.555%0.54522%0.221SC..SBendtrans-57.2138176.2-25.734.7000111.6R407P398-R407 PolarHBondContact O-NH1 3Å
399E97Very high96.6Very high114 Ų11441 Ų4153%0.53322%0.224SC..SBendtrans50.262.4-170.8-61.4165.472.800111.3H397 T401 V402 K404 R407H397-E399 PolarHBondContact O-N 3.37Å; E399-T401 PolarHBondContact O-N 2.87Å; E399-T401 VanDerWaalsContact O-N 3.12Å; E399-V402 HydrophobicContact CB-CB 4.23Å; E399-V402 HydrophobicContact CB-CG2 4.04Å; E399-V402 PolarHBondContact O-N 3.27Å; E399-V402 VanDerWaalsContact O-N 3.13Å; E399-K404 IonicContact OE1-NZ 3.86Å; E399-K404 IonicContact OE2-NZ 3.3Å; E399-K404 PolarHBondContact OE2-NZ 3.17Å; E399-R407 PolarHBondContact O-NH2 3.35Å
400P96.6Very high96.7Very high20 Ų2043.5 Ų43.513%0.1324%0.238CC..THydrogen-bonded Turntrans-66.9-18.4-166.523.3-32.4000113.8R349 L350 V392 P394 H397R349-P400 VanDerWaalsContact CZ-O 3.26Å; R349-P400 PolarHBondContact NH1-O 3.49Å; R349-P400 PolarHBondContact NH2-O 3.33Å; L350-P400 WeakPolarHBondContact CD2-O 3.36Å; V392-P400 HydrophobicContact CB-CB 4.21Å; V392-P400 WeakPolarHBondContact O-CB 3.3Å; V392-P400 WeakPolarHBondContact O-CG 3.33Å; P394-P400 HydrophobicContact CB-CG 4Å; H397-P400 HydrophobicContact CB-CB 4.41Å; H397-P400 WeakPolarHBondContact O-CA 3.41Å; H397-P400 WeakPolarHBondContact O-CB 3.32Å; H397-P400 VanDerWaalsContact O-CD 3.27Å; H397-P400 WeakPolarHBondContact O-CD 3.47Å
401T95.5Very high96.6Very high116 Ų11650.4 Ų50.471%0.71228%0.282SS*.THydrogen-bonded Turntrans-91.9-9179.955.40000113.1E399E399-T401 PolarHBondContact O-N 2.87Å; E399-T401 VanDerWaalsContact O-N 3.12Å
402V96.9Very high96.4Very high60 Ų6056.4 Ų56.436%0.36431%0.314SS..SBendtrans-90.8135.3-178.9-179.40000109.5E346 R349 E399 K404 R407E346-V402 VanDerWaalsContact OE1-O 3.11Å; R349-V402 PolarHBondContact NH2-O 2.92Å; E399-V402 HydrophobicContact CB-CB 4.23Å; E399-V402 HydrophobicContact CB-CG2 4.04Å; E399-V402 PolarHBondContact O-N 3.27Å; E399-V402 VanDerWaalsContact O-N 3.13Å; V402-K404 HydrophobicContact CG1-CG 4.27Å; V402-R407 PolarHBondContact O-NH2 3.46Å
403F97.9Very high96.2Very high11 Ų1157.3 Ų57.35%0.04833%0.327CS..  trans-74.5122.6170.9176.4-95.1000109.6F297 H301 A304 V343 E346 L350F297-F403 HydrophobicContact CB-CD1 4.08Å; F297-F403 HydrophobicContact CB-CD2 3.75Å; F297-F403 HydrophobicContact CB-CE1 3.93Å; F297-F403 HydrophobicContact CB-CE2 3.62Å; F297-F403 HydrophobicContact CB-CG 4Å; F297-F403 HydrophobicContact CB-CZ 3.71Å; F297-F403 HydrophobicContact CD1-CB 3.85Å; F297-F403 HydrophobicContact CD1-CD1 4.45Å; F297-F403 AromaticContact CD1-CD2 3.83Å; F297-F403 HydrophobicContact CD1-CD2 3.83Å; F297-F403 AromaticContact CD1-CG 3.79Å; F297-F403 HydrophobicContact CD1-CG 3.79Å; F297-F403 AromaticContact CD2-CD2 3.59Å; F297-F403 HydrophobicContact CD2-CD2 3.59Å; F297-F403 AromaticContact CD2-CE2 3.8Å; F297-F403 HydrophobicContact CD2-CE2 3.8Å; F297-F403 HydrophobicContact CD2-CG 4.38Å; F297-F403 HydrophobicContact CE1-CB 3.98Å; F297-F403 HydrophobicContact CE1-CD2 4.28Å; F297-F403 HydrophobicContact CE1-CG 4.31Å; F297-F403 HydrophobicContact CE2-CD2 4.06Å; F297-F403 HydrophobicContact CG-CB 4.38Å; F297-F403 HydrophobicContact CG-CD1 4.4Å; F297-F403 AromaticContact CG-CD2 3.47Å; F297-F403 HydrophobicContact CG-CD2 3.47Å; F297-F403 VanDerWaalsContact CG-CD2 3.47Å; F297-F403 AromaticContact CG-CE2 3.78Å; F297-F403 HydrophobicContact CG-CE2 3.78Å; F297-F403 AromaticContact CG-CG 3.83Å; F297-F403 HydrophobicContact CG-CG 3.83Å; F297-F403 HydrophobicContact CG-CZ 4.35Å; F297-F403 HydrophobicContact CZ-CD2 4.37Å; H301-F403 HydrophobicContact CB-CD1 4.42Å; H301-F403 HydrophobicContact CB-CE1 4.38Å; H301-F403 AromaticContact CD2-CD1 3.92Å; H301-F403 AromaticContact CE1-CD1 3.63Å; H301-F403 AromaticContact CG-CD1 3.72Å; H301-F403 AromaticContact ND1-CD1 3.52Å; H301-F403 AromaticContact NE2-CD1 3.86Å; A304-F403 HydrophobicContact CB-CE1 4.14Å; V343-F403 HydrophobicContact CG1-CZ 4.27Å; V343-F403 HydrophobicContact CG2-CZ 4.47Å; E346-F403 HydrophobicContact CB-CD2 4.32Å; E346-F403 HydrophobicContact CB-CE2 4.02Å; E346-F403 HydrophobicContact CG-CD2 3.47Å; E346-F403 VanDerWaalsContact CG-CD2 3.47Å; E346-F403 HydrophobicContact CG-CE2 3.65Å; E346-F403 HydrophobicContact CG-CG 4.25Å; L350-F403 HydrophobicContact CD1-CB 3.81Å; L350-F403 HydrophobicContact CD1-CD2 4.02Å; L350-F403 HydrophobicContact CD1-CG 4.43Å
404K97.9Very high96Very high59 Ų5959.2 Ų59.226%0.25734%0.341SS..  trans-128.2104.2174.3-64.9-173.4-178.8-172.60108.5E346 E399 V402 D406 R407E346-K404 WeakPolarHBondContact CG-O 3.28Å; E346-K404 PolarHBondContact OE1-N 3.18Å; E346-K404 VanDerWaalsContact OE1-N 3.12Å; E399-K404 IonicContact OE1-NZ 3.86Å; E399-K404 IonicContact OE2-NZ 3.3Å; E399-K404 PolarHBondContact OE2-NZ 3.17Å; V402-K404 HydrophobicContact CG1-CG 4.27Å; K404-D406 PolarHBondContact O-N 3.32Å; K404-D406 VanDerWaalsContact O-N 3.09Å; K404-R407 HydrophobicContact CB-CB 4.11Å; K404-R407 VanDerWaalsContact O-CB 3.29Å; K404-R407 WeakPolarHBondContact O-CB 3.31Å; K404-R407 PolarHBondContact O-N 3.03Å
405Y97.2Very high95.9Very high56 Ų5660.8 Ų60.822%0.2234%0.336CS..THydrogen-bonded Turntrans-58.6-25.6-174.581.6-87.4000112.9E303 A304 A307 V339 S342E303-Y405 HydrophobicContact CB-CE1 4.44Å; E303-Y405 HydrophobicContact CG-CD1 4.09Å; E303-Y405 HydrophobicContact CG-CE1 3.83Å; A304-Y405 HydrophobicContact CB-CD1 3.86Å; A304-Y405 HydrophobicContact CB-CD2 4.45Å; A304-Y405 HydrophobicContact CB-CG 3.69Å; A307-Y405 HydrophobicContact CB-CD2 4.25Å; A307-Y405 HydrophobicContact CB-CE2 3.56Å; V339-Y405 HydrophobicContact CG1-CD2 3.97Å; V339-Y405 HydrophobicContact CG1-CE2 4.12Å; S342-Y405 VanDerWaalsContact CB-O 3.23Å; S342-Y405 WeakPolarHBondContact CB-O 3.27Å; S342-Y405 PolarHBondContact OG-O 3.24Å
406D97.6Very high95.9Very high77 Ų7759 Ų5941%0.41232%0.324SS..THydrogen-bonded Turntrans-98.58.4-178.966.5-17.6000113.6K404 F408 L409K404-D406 PolarHBondContact O-N 3.32Å; K404-D406 VanDerWaalsContact O-N 3.09Å; D406-F408 PolarHBondContact O-N 3.39Å; D406-F408 VanDerWaalsContact O-N 3.09Å; D406-L409 HydrophobicContact CB-CB 4.39Å; D406-L409 HydrophobicContact CB-CD1 4.14Å; D406-L409 WeakPolarHBondContact O-CB 3.42Å; D406-L409 PolarHBondContact O-N 3.1Å
407R97.9Very high95.7Very high18 Ų1861.5 Ų61.57%0.06834%0.339CS..THydrogen-bonded Turntrans-56.4-32.6-177.2-170.7177.6-61.1-89.14.7113E346 P398 E399 V402 K404E346-R407 IonicContact OE1-CZ 3.8Å; E346-R407 IonicContact OE1-NE 2.69Å; E346-R407 PolarHBondContact OE1-NE 3.41Å; E346-R407 IonicContact OE1-NH2 3.47Å; E346-R407 PolarHBondContact OE1-NH2 2.73Å; E346-R407 WeakPolarHBondContact OE2-CD 3.38Å; E346-R407 IonicContact OE2-NE 3.41Å; E346-R407 PolarHBondContact OE2-NE 2.85Å; P398-R407 PolarHBondContact O-NH1 3Å; E399-R407 PolarHBondContact O-NH2 3.35Å; V402-R407 PolarHBondContact O-NH2 3.46Å; K404-R407 HydrophobicContact CB-CB 4.11Å; K404-R407 VanDerWaalsContact O-CB 3.29Å; K404-R407 WeakPolarHBondContact O-CB 3.31Å; K404-R407 PolarHBondContact O-N 3.03Å
408F97.4Very high95.6Very high1 Ų165 Ų650%0.00436%0.358CS..THydrogen-bonded Turntrans-10220.4179.8-58.3-84.6000112.5S342 E345 E346 R349 D406 R415 K416 F419 Y429S342-F408 WeakPolarHBondContact OG-CB 3.42Å; S342-F408 PolarHBondContact OG-N 3.01Å; E345-F408 HydrophobicContact CB-CD2 3.8Å; E345-F408 HydrophobicContact CB-CE2 4.08Å; E345-F408 HydrophobicContact CB-CG 4.1Å; E345-F408 VanDerWaalsContact CD-CD1 3.45Å; E345-F408 HydrophobicContact CG-CD1 3.88Å; E345-F408 HydrophobicContact CG-CD2 3.85Å; E345-F408 HydrophobicContact CG-CE1 3.86Å; E345-F408 HydrophobicContact CG-CE2 3.85Å; E345-F408 HydrophobicContact CG-CG 3.87Å; E345-F408 HydrophobicContact CG-CZ 3.84Å; E345-F408 WeakPolarHBondContact OE1-CD1 3.42Å; E345-F408 WeakPolarHBondContact OE1-CE1 3.29Å; E346-F408 HydrophobicContact CB-CD2 4.24Å; E346-F408 HydrophobicContact CB-CE2 4.01Å; E346-F408 WeakPolarHBondContact OE2-CE2 3.44Å; R349-F408 HydrophobicContact CB-CZ 4.35Å; D406-F408 PolarHBondContact O-N 3.39Å; D406-F408 VanDerWaalsContact O-N 3.09Å; F408-R415 CarbonylContact O-C 3.58Å; F408-R415 WeakPolarHBondContact O-CA 3.48Å; F408-K416 PolarHBondContact O-N 3.12Å; F408-F419 AromaticContact CD1-CE2 4Å; F408-F419 HydrophobicContact CD1-CE2 4Å; F408-F419 AromaticContact CD1-CZ 3.64Å; F408-F419 HydrophobicContact CD1-CZ 3.64Å; F408-F419 HydrophobicContact CE1-CE1 4.47Å; F408-F419 HydrophobicContact CE1-CE2 4.16Å; F408-F419 AromaticContact CE1-CZ 3.72Å; F408-F419 HydrophobicContact CE1-CZ 3.72Å; F408-Y429 HydrophobicContact CD1-CE2 4.23Å; F408-Y429 HydrophobicContact CE1-CD2 4.02Å; F408-Y429 HydrophobicContact CE1-CE2 4.1Å
409L97.3Very high95.6Very high28 Ų2861.4 Ų61.415%0.14733%0.334CS..BIsolated β-bridgetrans-112142.8172.7-60.3178.7000111.4P338 V339 D406P338-L409 HydrophobicContact CB-CD2 4.17Å; P338-L409 WeakPolarHBondContact O-CD2 3.46Å; V339-L409 HydrophobicContact CG2-CD1 4.15Å; D406-L409 HydrophobicContact CB-CB 4.39Å; D406-L409 HydrophobicContact CB-CD1 4.14Å; D406-L409 WeakPolarHBondContact O-CB 3.42Å; D406-L409 PolarHBondContact O-N 3.1Å
410N96.4Very high95.5Very high52 Ų5260.9 Ų60.928%0.27833%0.33SS..  trans-83.9162.6164.7-68-46.8000109.5N412 G413 S414 R415 K416N410-N412 VanDerWaalsContact CB-OD1 3.26Å; N410-N412 WeakPolarHBondContact CB-OD1 3.26Å; N410-N412 PolarHBondContact O-N 3.29Å; N410-G413 PolarHBondContact O-N 2.85Å; N410-S414 WeakPolarHBondContact CB-O 3.35Å; N410-S414 PolarHBondContact N-O 2.9Å; N410-S414 PolarHBondContact ND2-O 3.13Å; N410-S414 PolarHBondContact ND2-OG 3.35Å; N410-R415 PolarHBondContact ND2-O 3.01Å; N410-K416 WeakPolarHBondContact OD1-CB 3.44Å
411P94.4Very high95.4Very high145 Ų14561 Ų6194%0.94233%0.328SS*.THydrogen-bonded Turntrans-56.9-22177.7-27.535.8000115.2G413P411-G413 VanDerWaalsContact C-N 3.31Å
412N92.8Very high95.2Very high126 Ų12659.6 Ų59.667%0.67433%0.329SS*.THydrogen-bonded Turntrans-88.49.1175.769.2-6.4000113.7N410 S414N410-N412 VanDerWaalsContact CB-OD1 3.26Å; N410-N412 WeakPolarHBondContact CB-OD1 3.26Å; N410-N412 PolarHBondContact O-N 3.29Å; N412-S414 VanDerWaalsContact C-N 3.26Å; N412-S414 PolarHBondContact ND2-OG 2.89Å; N412-S414 PolarHBondContact O-N 3.44Å; N412-S414 VanDerWaalsContact OD1-CB 3.32Å; N412-S414 WeakPolarHBondContact OD1-CB 3.37Å; N412-S414 PolarHBondContact OD1-N 3.18Å; N412-S414 PolarHBondContact OD1-OG 3.27Å
413G90.6Very high94.8Very high37 Ų3760.3 Ų60.338%0.38135%0.348SS..SBendtrans78.4-2.9-178.300000115.2N410 P411N410-G413 PolarHBondContact O-N 2.85Å; P411-G413 VanDerWaalsContact C-N 3.31Å
414S92.1Very high94.5Very high48 Ų4865.5 Ų65.534%0.33637%0.37SS..SBendtrans-76.8155176.368.10000112.2N410 N412 K416N410-S414 WeakPolarHBondContact CB-O 3.35Å; N410-S414 PolarHBondContact N-O 2.9Å; N410-S414 PolarHBondContact ND2-O 3.13Å; N410-S414 PolarHBondContact ND2-OG 3.35Å; N412-S414 VanDerWaalsContact C-N 3.26Å; N412-S414 PolarHBondContact ND2-OG 2.89Å; N412-S414 PolarHBondContact O-N 3.44Å; N412-S414 VanDerWaalsContact OD1-CB 3.32Å; N412-S414 WeakPolarHBondContact OD1-CB 3.37Å; N412-S414 PolarHBondContact OD1-N 3.18Å; N412-S414 PolarHBondContact OD1-OG 3.27Å; S414-K416 PolarHBondContact O-N 3.4Å
415R93.2Very high94.3Very high114 Ų11467.7 Ų67.743%0.4338%0.38SS..BIsolated β-bridgetrans-59.5125.7176.7-172.7170.4-178.6-92.2-10111.8E345 F408 N410 V417 Y429E345-R415 VanDerWaalsContact CD-NH2 3.29Å; E345-R415 IonicContact OE1-NH2 3.63Å; E345-R415 PolarHBondContact OE1-NH2 3.18Å; E345-R415 IonicContact OE2-CZ 2.67Å; E345-R415 IonicContact OE2-NE 2.87Å; E345-R415 PolarHBondContact OE2-NE 3.39Å; E345-R415 IonicContact OE2-NH2 3.7Å; E345-R415 PolarHBondContact OE2-NH2 2.69Å; F408-R415 CarbonylContact O-C 3.58Å; F408-R415 WeakPolarHBondContact O-CA 3.48Å; N410-R415 PolarHBondContact ND2-O 3.01Å; R415-V417 HydrophobicContact CG-CG1 4.24Å; R415-V417 VanDerWaalsContact NH1-CG1 3.29Å; R415-Y429 PolarHBondContact NH1-OH 3.47Å; R415-Y429 PolarHBondContact NH2-OH 3.37Å
416K95.2Very high94Very high67 Ų6765.3 Ų65.329%0.29137%0.371SS..PPolyproline II helixtrans-84.5123.8174.7-178.4-179.6174.6-174.10110.4F408 N410 S414 F419F408-K416 PolarHBondContact O-N 3.12Å; N410-K416 WeakPolarHBondContact OD1-CB 3.44Å; S414-K416 PolarHBondContact O-N 3.4Å; K416-F419 HydrophobicContact CD-CZ 4.18Å; K416-F419 HydrophobicContact CG-CE2 4.16Å; K416-F419 HydrophobicContact CG-CZ 4.28Å
417V92.8Very high93.5Very high58 Ų5869.2 Ų69.235%0.35239%0.386SS..  trans-124.5-2179.6-58.40000113.3R415 Y429R415-V417 HydrophobicContact CG-CG1 4.24Å; R415-V417 VanDerWaalsContact NH1-CG1 3.29Å; V417-Y429 HydrophobicContact CB-CE1 4.26Å; V417-Y429 WeakPolarHBondContact O-CE1 3.31Å
418D94.8Very high93.2Very high74 Ų7470.6 Ų70.640%0.39639%0.393SS..  trans-96.8105.4-178.4-68.6-33.7000110F420 K425D418-F420 HydrophobicContact CB-CE2 4.05Å; D418-F420 HydrophobicContact CB-CZ 4.41Å; D418-K425 WeakPolarHBondContact OD1-CE 3.42Å; D418-K425 IonicContact OD1-NZ 3.54Å; D418-K425 PolarHBondContact OD1-NZ 2.84Å
419F96.3Very high92.9Very high8 Ų871.7 Ų71.74%0.03540%0.398CS..  trans-130150.6175.8-67.3-96.7000109.1I396 H397 F408 K416 K425 I426 Y429I396-F419 HydrophobicContact CG2-CB 4.3Å; I396-F419 HydrophobicContact CG2-CD1 4.38Å; H397-F419 AromaticContact CE1-CD1 3.72Å; H397-F419 AromaticContact CE1-CE1 3.48Å; H397-F419 VanDerWaalsContact CE1-CE1 3.48Å; H397-F419 WeakPolarHBondContact CE1-CE1 3.18Å; H397-F419 AromaticContact ND1-CD1 3.91Å; H397-F419 AromaticContact ND1-CE1 3.56Å; F408-F419 AromaticContact CD1-CE2 4Å; F408-F419 HydrophobicContact CD1-CE2 4Å; F408-F419 AromaticContact CD1-CZ 3.64Å; F408-F419 HydrophobicContact CD1-CZ 3.64Å; F408-F419 HydrophobicContact CE1-CE1 4.47Å; F408-F419 HydrophobicContact CE1-CE2 4.16Å; F408-F419 AromaticContact CE1-CZ 3.72Å; F408-F419 HydrophobicContact CE1-CZ 3.72Å; K416-F419 HydrophobicContact CD-CZ 4.18Å; K416-F419 HydrophobicContact CG-CE2 4.16Å; K416-F419 HydrophobicContact CG-CZ 4.28Å; F419-K425 WeakPolarHBondContact O-CA 2.95Å; F419-I426 HydrophobicContact CB-CD1 4.44Å; F419-I426 HydrophobicContact CB-CG1 4.08Å; F419-I426 WeakPolarHBondContact O-CG1 3.45Å; F419-I426 PolarHBondContact O-N 3.39Å; F419-Y429 VanDerWaalsContact CB-CB 3.49Å; F419-Y429 HydrophobicContact CB-CD1 4.5Å; F419-Y429 HydrophobicContact CB-CG 4.11Å; F419-Y429 AromaticContact CD2-CD1 3.73Å; F419-Y429 HydrophobicContact CD2-CD1 3.73Å; F419-Y429 AromaticContact CD2-CD2 3.45Å; F419-Y429 HydrophobicContact CD2-CD2 3.45Å; F419-Y429 VanDerWaalsContact CD2-CD2 3.45Å; F419-Y429 HydrophobicContact CD2-CE1 4.26Å; F419-Y429 HydrophobicContact CD2-CE2 4.02Å; F419-Y429 AromaticContact CD2-CG 3.3Å; F419-Y429 HydrophobicContact CD2-CG 3.3Å; F419-Y429 HydrophobicContact CE2-CD1 4.44Å; F419-Y429 AromaticContact CE2-CD2 3.48Å; F419-Y429 HydrophobicContact CE2-CD2 3.48Å; F419-Y429 VanDerWaalsContact CE2-CD2 3.48Å; F419-Y429 AromaticContact CE2-CE2 3.76Å; F419-Y429 HydrophobicContact CE2-CE2 3.76Å; F419-Y429 AromaticContact CE2-CG 3.87Å; F419-Y429 HydrophobicContact CE2-CG 3.87Å; F419-Y429 HydrophobicContact CG-CD1 4.47Å; F419-Y429 HydrophobicContact CG-CD2 4.21Å; F419-Y429 AromaticContact CG-CG 3.86Å; F419-Y429 HydrophobicContact CG-CG 3.86Å; F419-Y429 HydrophobicContact CZ-CD2 4.27Å
420F95.5Very high92.8Very high103 Ų10371.6 Ų71.645%0.45240%0.398SS..EExtended strand (participates in β ladder)trans-133.4150.8-169.7-59.9-97.7000110.7D395 D418 K424 K425D395-F420 VanDerWaalsContact O-O 3.1Å; D418-F420 HydrophobicContact CB-CE2 4.05Å; D418-F420 HydrophobicContact CB-CZ 4.41Å; F420-K424 CarbonylContact C-O 3.51Å; F420-K424 VanDerWaalsContact CA-O 3.23Å; F420-K424 WeakPolarHBondContact CA-O 2.97Å; F420-K425 HydrophobicContact CD1-CB 3.99Å; F420-K425 HydrophobicContact CE1-CB 3.76Å; F420-K425 HydrophobicContact CE1-CG 4.42Å; F420-K425 HydrophobicContact CZ-CB 4.47Å
421K94.1Very high92.7Very high23 Ų2369.2 Ų69.210%0.139%0.386CS..EExtended strand (participates in β ladder)trans-136.1129.5165.5-173.6172.9179.468.90108.3P83 D393 D395 I396 G423 K424 I426P83-K421 HydrophobicContact CG-CD 3.7Å; D393-K421 VanDerWaalsContact CG-NZ 3.27Å; D393-K421 IonicContact OD1-NZ 3.7Å; D393-K421 PolarHBondContact OD1-NZ 2.97Å; D393-K421 VanDerWaalsContact OD1-NZ 3.13Å; D393-K421 WeakPolarHBondContact OD2-CE 3.48Å; D393-K421 IonicContact OD2-NZ 2.87Å; D393-K421 PolarHBondContact OD2-NZ 3.37Å; D395-K421 HydrophobicContact CB-CG 4.14Å; D395-K421 IonicContact OD2-NZ 3.73Å; D395-K421 PolarHBondContact OD2-NZ 3.35Å; I396-K421 HydrophobicContact CD1-CB 4.4Å; I396-K421 HydrophobicContact CD1-CD 4.06Å; I396-K421 HydrophobicContact CG1-CB 3.93Å; I396-K421 HydrophobicContact CG1-CD 4.22Å; I396-K421 HydrophobicContact CG1-CG 4.31Å; K421-G423 PolarHBondContact O-N 3.21Å; K421-K424 PolarHBondContact N-O 2.89Å; K421-K424 PolarHBondContact O-N 3.4Å; K421-I426 HydrophobicContact CB-CG2 3.9Å
422A90.3Very high92.7Very high87 Ų8763.1 Ų63.172%0.71935%0.346SS*.THydrogen-bonded Turntrans49.244.1-176.900000113.1K424A422-K424 PolarHBondContact O-N 2.96Å
423G90.1Very high92.7Very high74 Ų7460.3 Ų60.376%0.76333%0.326SS*.THydrogen-bonded Turntrans72.30.8-179.700000115.7K421K421-G423 PolarHBondContact O-N 3.21Å
424K91.6Very high92.7Very high120 Ų12059 Ų5952%0.52231%0.313SS..EExtended strand (participates in β ladder)trans-104.3132.3177.9-64.1179.1-176.7175.90110.3L84 F420 K421 A422 I426L84-K424 HydrophobicContact CD1-CD 4.33Å; L84-K424 HydrophobicContact CD2-CB 4.17Å; F420-K424 CarbonylContact C-O 3.51Å; F420-K424 VanDerWaalsContact CA-O 3.23Å; F420-K424 WeakPolarHBondContact CA-O 2.97Å; K421-K424 PolarHBondContact N-O 2.89Å; K421-K424 PolarHBondContact O-N 3.4Å; A422-K424 PolarHBondContact O-N 2.96Å; K424-I426 PolarHBondContact O-N 3.34Å
425K92.4Very high92.6Very high105 Ų10557.5 Ų57.546%0.45730%0.302SS..EExtended strand (participates in β ladder)trans-61.9130.9172.4-178.1170.9171.6171.10109.3D418 F419 F420D418-K425 WeakPolarHBondContact OD1-CE 3.42Å; D418-K425 IonicContact OD1-NZ 3.54Å; D418-K425 PolarHBondContact OD1-NZ 2.84Å; F419-K425 WeakPolarHBondContact O-CA 2.95Å; F420-K425 HydrophobicContact CD1-CB 3.99Å; F420-K425 HydrophobicContact CE1-CB 3.76Å; F420-K425 HydrophobicContact CE1-CG 4.42Å; F420-K425 HydrophobicContact CZ-CB 4.47Å
426I92.3Very high92.3Very high7 Ų753.7 Ų53.74%0.03630%0.299CS..  trans-103.9137.1176.762.3166.5000110.4L84 I396 F419 K421 K424L84-I426 HydrophobicContact CD2-CG2 3.73Å; I396-I426 HydrophobicContact CB-CD1 4.29Å; I396-I426 HydrophobicContact CD1-CD1 3.46Å; I396-I426 VanDerWaalsContact CD1-CD1 3.46Å; I396-I426 HydrophobicContact CG1-CD1 3.71Å; I396-I426 HydrophobicContact CG2-CD1 3.57Å; F419-I426 HydrophobicContact CB-CD1 4.44Å; F419-I426 HydrophobicContact CB-CG1 4.08Å; F419-I426 WeakPolarHBondContact O-CG1 3.45Å; F419-I426 PolarHBondContact O-N 3.39Å; K421-I426 HydrophobicContact CB-CG2 3.9Å; K424-I426 PolarHBondContact O-N 3.34Å
427H85.3Confident91.6Very high158 Ų15854.1 Ų54.173%0.73131%0.307SS*.SBendtrans-81.9-25.6177.1-67.5-68.5000112.8
428H91.6Very high91.1Very high47 Ų4752.4 Ų52.422%0.21830%0.297CS..  trans-111.269.6-177.8-60.4-50.1000109.8L90 V390 M431 S435L90-H428 WeakPolarHBondContact CD1-NE2 3.33Å; V390-H428 WeakPolarHBondContact CG1-O 3.31Å; H428-M431 HydrophobicContact CB-CE 4.49Å; H428-M431 HydrophobicContact CB-CG 3.93Å; H428-M431 HydrophobicContact CB-SD 3.75Å; H428-S435 PolarHBondContact CE1-OG 3.23Å; H428-S435 VanDerWaalsContact CE1-OG 3.32Å
429Y92.8Very high90.9Very high25 Ų2551.9 Ų51.910%0.09829%0.294CS..SBendtrans-83.4-16.1178.956.9-98.7000113.8E345 V390 H397 F408 R415 V417 F419E345-Y429 WeakPolarHBondContact OE1-CE2 3.39Å; V390-Y429 WeakPolarHBondContact CG1-O 3.14Å; H397-Y429 PolarHBondContact CE1-O 3.44Å; H397-Y429 PolarHBondContact NE2-O 3.43Å; F408-Y429 HydrophobicContact CD1-CE2 4.23Å; F408-Y429 HydrophobicContact CE1-CD2 4.02Å; F408-Y429 HydrophobicContact CE1-CE2 4.1Å; R415-Y429 PolarHBondContact NH1-OH 3.47Å; R415-Y429 PolarHBondContact NH2-OH 3.37Å; V417-Y429 HydrophobicContact CB-CE1 4.26Å; V417-Y429 WeakPolarHBondContact O-CE1 3.31Å; F419-Y429 VanDerWaalsContact CB-CB 3.49Å; F419-Y429 HydrophobicContact CB-CD1 4.5Å; F419-Y429 HydrophobicContact CB-CG 4.11Å; F419-Y429 AromaticContact CD2-CD1 3.73Å; F419-Y429 HydrophobicContact CD2-CD1 3.73Å; F419-Y429 AromaticContact CD2-CD2 3.45Å; F419-Y429 HydrophobicContact CD2-CD2 3.45Å; F419-Y429 VanDerWaalsContact CD2-CD2 3.45Å; F419-Y429 HydrophobicContact CD2-CE1 4.26Å; F419-Y429 HydrophobicContact CD2-CE2 4.02Å; F419-Y429 AromaticContact CD2-CG 3.3Å; F419-Y429 HydrophobicContact CD2-CG 3.3Å; F419-Y429 HydrophobicContact CE2-CD1 4.44Å; F419-Y429 AromaticContact CE2-CD2 3.48Å; F419-Y429 HydrophobicContact CE2-CD2 3.48Å; F419-Y429 VanDerWaalsContact CE2-CD2 3.48Å; F419-Y429 AromaticContact CE2-CE2 3.76Å; F419-Y429 HydrophobicContact CE2-CE2 3.76Å; F419-Y429 AromaticContact CE2-CG 3.87Å; F419-Y429 HydrophobicContact CE2-CG 3.87Å; F419-Y429 HydrophobicContact CG-CD1 4.47Å; F419-Y429 HydrophobicContact CG-CD2 4.21Å; F419-Y429 AromaticContact CG-CG 3.86Å; F419-Y429 HydrophobicContact CG-CG 3.86Å; F419-Y429 HydrophobicContact CZ-CD2 4.27Å
430T93.8Very high90.7Very high25 Ų2553.6 Ų53.615%0.15331%0.306CS..  trans-147.2145167.1-166.30000108E345 P432E345-T430 HydrophobicContact CG-CG2 4.15Å; E345-T430 WeakPolarHBondContact OE1-CG2 3.31Å; T430-P432 VanDerWaalsContact OG1-CD 3.27Å; T430-P432 WeakPolarHBondContact OG1-CD 3.23Å
431M95.4Very high90.4Very high3 Ų351 Ų512%0.01530%0.299CS..  trans-143.641.2-177.5-55.5179.672.600113.9F86 L90 P354 L356 P386 V390 H391 H428 W433 G434 S435F86-M431 HydrophobicContact CD2-CE 4.32Å; F86-M431 HydrophobicContact CD2-SD 3.8Å; F86-M431 HydrophobicContact CE2-SD 3.96Å; L90-M431 HydrophobicContact CD1-CE 3.65Å; L90-M431 HydrophobicContact CD2-CE 4.15Å; P354-M431 WeakPolarHBondContact CG-O 3.4Å; L356-M431 HydrophobicContact CD2-CE 3.74Å; P386-M431 HydrophobicContact CB-CB 3.72Å; P386-M431 HydrophobicContact CB-CG 4.18Å; P386-M431 HydrophobicContact CB-SD 3.8Å; P386-M431 HydrophobicContact CG-CB 3.96Å; P386-M431 HydrophobicContact CG-CE 4.19Å; P386-M431 HydrophobicContact CG-CG 4.47Å; P386-M431 HydrophobicContact CG-SD 3.75Å; V390-M431 HydrophobicContact CG2-SD 4.39Å; H391-M431 PolarHBondContact NE2-N 2.92Å; H428-M431 HydrophobicContact CB-CE 4.49Å; H428-M431 HydrophobicContact CB-CG 3.93Å; H428-M431 HydrophobicContact CB-SD 3.75Å; M431-W433 PolarHBondContact O-N 2.81Å; M431-G434 PolarHBondContact O-N 3.37Å; M431-G434 VanDerWaalsContact O-N 3.17Å; M431-S435 VanDerWaalsContact CE-CB 3.41Å
432P93.1Very high90.1Very high17 Ų1750.6 Ų50.611%0.1130%0.302CS..THydrogen-bonded Turntrans-65.6-28.6-178.229.3-36.7000112.4L348 A352 T430 G434L348-P432 HydrophobicContact CB-CB 3.66Å; L348-P432 HydrophobicContact CB-CG 3.85Å; L348-P432 HydrophobicContact CD1-CB 4.25Å; L348-P432 HydrophobicContact CD1-CG 4.08Å; L348-P432 HydrophobicContact CD2-CB 4.23Å; L348-P432 HydrophobicContact CG-CB 4.28Å; A352-P432 HydrophobicContact CB-CB 3.55Å; T430-P432 VanDerWaalsContact OG1-CD 3.27Å; T430-P432 WeakPolarHBondContact OG1-CD 3.23Å; P432-G434 VanDerWaalsContact C-N 3.32Å; P432-G434 PolarHBondContact O-N 2.97Å
433W92.8Very high90.1Very high67 Ų6749 Ų4925%0.25428%0.277SS..THydrogen-bonded Turntrans-87.55.1179.5-51112000113.7L348 M431 I439 C440 R443 A446 L447L348-W433 HydrophobicContact CD1-CH2 4.01Å; L348-W433 HydrophobicContact CD1-CZ2 3.33Å; M431-W433 PolarHBondContact O-N 2.81Å; W433-I439 HydrophobicContact CB-CG1 4.38Å; W433-I439 CarbonylContact O-C 3.51Å; W433-I439 WeakPolarHBondContact O-CA 3.46Å; W433-C440 HydrophobicContact CB-CB 4.18Å; W433-C440 HydrophobicContact CE3-CB 4.17Å; W433-C440 PolarHBondContact O-N 2.94Å; W433-R443 HydrophobicContact CB-CB 4.39Å; W433-R443 HydrophobicContact CD2-CB 3.64Å; W433-R443 HydrophobicContact CE3-CB 3.7Å; W433-R443 HydrophobicContact CG-CB 3.95Å; W433-R443 HydrophobicContact CZ3-CB 4.22Å; W433-A446 HydrophobicContact CH2-CB 3.8Å; W433-A446 HydrophobicContact CZ3-CB 3.84Å; W433-L447 HydrophobicContact CH2-CG 4.45Å; W433-L447 HydrophobicContact CZ2-CD2 3.79Å; W433-L447 HydrophobicContact CZ2-CG 3.86Å
434G91.8Very high89.9Confident10 Ų1048.6 Ų48.610%0.10326%0.255CS..  trans74.2-160.3-164.700000112.3M431 P432M431-G434 PolarHBondContact O-N 3.37Å; M431-G434 VanDerWaalsContact O-N 3.17Å; P432-G434 VanDerWaalsContact C-N 3.32Å; P432-G434 PolarHBondContact O-N 2.97Å
435S89.9Confident89.6Confident15 Ų1543.3 Ų43.311%0.10523%0.232CC..  trans-164.2164178.8-173.50000111.9H428 M431 S438H428-S435 PolarHBondContact CE1-OG 3.23Å; H428-S435 VanDerWaalsContact CE1-OG 3.32Å; M431-S435 VanDerWaalsContact CE-CB 3.41Å; S435-S438 PolarHBondContact O-N 2.6Å; S435-S438 PolarHBondContact O-OG 3.48Å
436G86.6Confident89.1Confident35 Ų3539 Ų3936%0.36122%0.215SC..G310 helixtrans59-136.9-179.900000112.4S438 I439G436-S438 PolarHBondContact O-N 2.85Å; G436-S438 VanDerWaalsContact O-N 3.13Å; G436-I439 VanDerWaalsContact O-CG2 3.3Å; G436-I439 WeakPolarHBondContact O-CG2 3.43Å; G436-I439 PolarHBondContact O-N 3.02Å
437V79.7Confident88.5Confident76 Ų7640.7 Ų40.746%0.46123%0.225SC..G310 helixtrans-66.5-10.2-178.6-60.10000114.7F99F99-V437 HydrophobicContact CB-CG2 4.23Å
438S83.4Confident88.2Confident22 Ų2234.1 Ų34.115%0.15420%0.196CC..G310 helixtrans-118.730.517970.70000111.9R358 S435 G436R358-S438 PolarHBondContact NH1-OG 3.46Å; R358-S438 PolarHBondContact NH2-OG 3.29Å; S435-S438 PolarHBondContact O-N 2.6Å; S435-S438 PolarHBondContact O-OG 3.48Å; G436-S438 PolarHBondContact O-N 2.85Å; G436-S438 VanDerWaalsContact O-N 3.13Å
439I89.7Confident87.3Confident62 Ų6232 Ų3232%0.31819%0.187SC..  trans-78.2142173.7-164.6169.3000110.5W433 G436 P441W433-I439 HydrophobicContact CB-CG1 4.38Å; W433-I439 CarbonylContact O-C 3.51Å; W433-I439 WeakPolarHBondContact O-CA 3.46Å; G436-I439 VanDerWaalsContact O-CG2 3.3Å; G436-I439 WeakPolarHBondContact O-CG2 3.43Å; G436-I439 PolarHBondContact O-N 3.02Å; I439-P441 WeakPolarHBondContact O-CD 3.4Å
440C91.8Very high85.8Confident44 Ų4431 Ų3130%0.29718%0.184SC..  trans-59.2119.4176.4179.30000110.1W433 G442 R443W433-C440 HydrophobicContact CB-CB 4.18Å; W433-C440 HydrophobicContact CE3-CB 4.17Å; W433-C440 PolarHBondContact O-N 2.94Å; C440-G442 VanDerWaalsContact C-N 3.34Å; C440-R443 HydrophobicContact CB-CB 4.39Å; C440-R443 PolarHBondContact O-NH1 3.22Å
441P89.6Confident84.5Confident48 Ų4830.2 Ų30.231%0.31218%0.178SC..THydrogen-bonded Turntrans-75.4-26.4-179.932.5-36.3000112.1I439 R443I439-P441 WeakPolarHBondContact O-CD 3.4Å; P441-R443 PolarHBondContact O-N 3.04Å
442G88.4Confident83Confident15 Ų1530.1 Ų30.116%0.15518%0.178CC..THydrogen-bonded Turntrans-86.16.917900000115.6C440 F444 F445 A446C440-G442 VanDerWaalsContact C-N 3.34Å; G442-F444 PolarHBondContact O-N 3.49Å; G442-F444 VanDerWaalsContact O-N 3.12Å; G442-F445 WeakPolarHBondContact O-CB 3.31Å; G442-F445 PolarHBondContact O-N 3.35Å; G442-A446 PolarHBondContact O-N 3.08Å
443R90.2Very high80.9Confident53 Ų5329.4 Ų29.420%0.217%0.174CC..Hα-helixtrans-54.9-32.5-175.467.6-171.2176.4-79.60.1114.8W433 C440 P441 L447W433-R443 HydrophobicContact CB-CB 4.39Å; W433-R443 HydrophobicContact CD2-CB 3.64Å; W433-R443 HydrophobicContact CE3-CB 3.7Å; W433-R443 HydrophobicContact CG-CB 3.95Å; W433-R443 HydrophobicContact CZ3-CB 4.22Å; C440-R443 HydrophobicContact CB-CB 4.39Å; C440-R443 PolarHBondContact O-NH1 3.22Å; P441-R443 PolarHBondContact O-N 3.04Å; R443-L447 WeakPolarHBondContact O-CB 3.21Å; R443-L447 VanDerWaalsContact O-CG 3.23Å; R443-L447 WeakPolarHBondContact O-CG 3.25Å; R443-L447 PolarHBondContact O-N 3.05Å
444F86.5Confident79Confident67 Ų6726.2 Ų26.229%0.29416%0.162SC..Hα-helixtrans-74.6-38.1179-56.2-74.5000111.8R132 L136 G442 S448R132-F444 HydrophobicContact CB-CD2 4.09Å; R132-F444 HydrophobicContact CB-CE2 4.3Å; R132-F444 HydrophobicContact CG-CD2 3.89Å; R132-F444 HydrophobicContact CG-CE2 3.72Å; R132-F444 HydrophobicContact CG-CZ 4.33Å; L136-F444 HydrophobicContact CD2-CB 3.88Å; G442-F444 PolarHBondContact O-N 3.49Å; G442-F444 VanDerWaalsContact O-N 3.12Å; F444-S448 PolarHBondContact O-N 3.25Å; F444-S448 VanDerWaalsContact O-N 3.15Å; F444-S448 PolarHBondContact O-OG 2.83Å
445F85.1Confident77.2Confident9 Ų926.3 Ų26.34%0.03916%0.16CC..Hα-helixtrans-65.9-48.5172.1-178.4-125.9000110.4L131 L136 L139 N140 M143 L185 G442 L447 S448 E449L131-F445 HydrophobicContact CD2-CB 4.26Å; L131-F445 HydrophobicContact CD2-CG 4.46Å; L136-F445 HydrophobicContact CD1-CB 3.66Å; L136-F445 HydrophobicContact CD1-CD2 3.77Å; L136-F445 HydrophobicContact CD1-CG 4.09Å; L139-F445 HydrophobicContact CD1-CE2 4.43Å; L139-F445 HydrophobicContact CD1-CZ 4.24Å; L139-F445 HydrophobicContact CD2-CD1 4.01Å; L139-F445 HydrophobicContact CD2-CD2 3.79Å; L139-F445 HydrophobicContact CD2-CE1 3.94Å; L139-F445 HydrophobicContact CD2-CE2 3.74Å; L139-F445 HydrophobicContact CD2-CG 3.93Å; L139-F445 HydrophobicContact CD2-CZ 3.81Å; L139-F445 HydrophobicContact CG-CD2 4Å; L139-F445 HydrophobicContact CG-CE1 4.4Å; L139-F445 HydrophobicContact CG-CE2 3.55Å; L139-F445 HydrophobicContact CG-CZ 3.77Å; N140-F445 WeakPolarHBondContact OD1-CD2 3.38Å; M143-F445 HydrophobicContact CB-CE2 3.94Å; M143-F445 HydrophobicContact CB-CZ 4.14Å; M143-F445 HydrophobicContact CG-CE2 4.14Å; M143-F445 HydrophobicContact CG-CZ 4.11Å; M143-F445 HydrophobicContact SD-CZ 4.38Å; L185-F445 HydrophobicContact CD2-CE1 4.41Å; G442-F445 WeakPolarHBondContact O-CB 3.31Å; G442-F445 PolarHBondContact O-N 3.35Å; F445-L447 VanDerWaalsContact C-N 3.3Å; F445-L447 PolarHBondContact O-N 3.36Å; F445-S448 CarbonylContact O-C 3.42Å; F445-S448 WeakPolarHBondContact O-CA 3.16Å; F445-S448 WeakPolarHBondContact O-CB 3.5Å; F445-S448 PolarHBondContact O-N 2.81Å; F445-E449 HydrophobicContact CD1-CG 4.2Å; F445-E449 HydrophobicContact CD2-CG 4.13Å; F445-E449 HydrophobicContact CE1-CG 3.88Å; F445-E449 WeakPolarHBondContact CE1-OE1 3.37Å; F445-E449 HydrophobicContact CE2-CG 3.79Å; F445-E449 HydrophobicContact CG-CG 4.33Å; F445-E449 HydrophobicContact CZ-CG 3.66Å; F445-E449 WeakPolarHBondContact CZ-OE1 3.38Å; F445-E449 WeakPolarHBondContact O-CG 3.45Å; F445-E449 PolarHBondContact O-N 2.77Å
446A80.9Confident75.3Confident13 Ų1326 Ų2611%0.10716%0.157CC..Hα-helixtrans-60.3-36179.600000113.6W433 G442 A450W433-A446 HydrophobicContact CH2-CB 3.8Å; W433-A446 HydrophobicContact CZ3-CB 3.84Å; G442-A446 PolarHBondContact O-N 3.08Å; A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 3.4Å
447L80.3Confident73.7Confident44 Ų4425 Ų2523%0.2314%0.144CC..Hα-helixtrans-63.6-48.9170.8-75.4169.2000110.6V344 W433 R443 F445 E449 A450 D451V344-L447 HydrophobicContact CG1-CD2 3.75Å; W433-L447 HydrophobicContact CH2-CG 4.45Å; W433-L447 HydrophobicContact CZ2-CD2 3.79Å; W433-L447 HydrophobicContact CZ2-CG 3.86Å; R443-L447 WeakPolarHBondContact O-CB 3.21Å; R443-L447 VanDerWaalsContact O-CG 3.23Å; R443-L447 WeakPolarHBondContact O-CG 3.25Å; R443-L447 PolarHBondContact O-N 3.05Å; F445-L447 VanDerWaalsContact C-N 3.3Å; F445-L447 PolarHBondContact O-N 3.36Å; L447-E449 VanDerWaalsContact C-N 3.33Å; L447-E449 PolarHBondContact O-N 2.91Å; L447-A450 PolarHBondContact O-N 3.32Å; L447-D451 WeakPolarHBondContact O-CB 3.44Å; L447-D451 PolarHBondContact O-N 3.04Å
448S77.9Confident72.2Confident20 Ų2022.1 Ų22.114%0.1413%0.126CC..Hα-helixtrans-57.1-44.8176.4-52.40000111.8N140 F444 F445 D451 F452N140-S448 WeakPolarHBondContact ND2-CB 3.25Å; N140-S448 PolarHBondContact ND2-OG 2.81Å; N140-S448 WeakPolarHBondContact OD1-CB 3.46Å; F444-S448 PolarHBondContact O-N 3.25Å; F444-S448 VanDerWaalsContact O-N 3.15Å; F444-S448 PolarHBondContact O-OG 2.83Å; F445-S448 CarbonylContact O-C 3.42Å; F445-S448 WeakPolarHBondContact O-CA 3.16Å; F445-S448 WeakPolarHBondContact O-CB 3.5Å; F445-S448 PolarHBondContact O-N 2.81Å; S448-D451 PolarHBondContact O-N 3.11Å; S448-F452 WeakPolarHBondContact O-CB 3.39Å; S448-F452 WeakPolarHBondContact O-CD2 3.31Å; S448-F452 WeakPolarHBondContact O-CG 3.25Å; S448-F452 PolarHBondContact O-N 3.35Å
449E72.8Confident70.5Confident3 Ų322.1 Ų22.11%0.01413%0.129CC..Hα-helixtrans-60.1-44.6176.8-68.5-177.1126.300112.6M143 T287 F445 L447 F452 G453M143-E449 HydrophobicContact CE-CB 4.43Å; M143-E449 HydrophobicContact CE-CG 4.01Å; M143-E449 HydrophobicContact CG-CG 4.12Å; T287-E449 HydrophobicContact CG2-CB 3.7Å; T287-E449 WeakPolarHBondContact CG2-OE2 3.46Å; T287-E449 PolarHBondContact OG1-OE2 2.83Å; F445-E449 HydrophobicContact CD1-CG 4.2Å; F445-E449 HydrophobicContact CD2-CG 4.13Å; F445-E449 HydrophobicContact CE1-CG 3.88Å; F445-E449 WeakPolarHBondContact CE1-OE1 3.37Å; F445-E449 HydrophobicContact CE2-CG 3.79Å; F445-E449 HydrophobicContact CG-CG 4.33Å; F445-E449 HydrophobicContact CZ-CG 3.66Å; F445-E449 WeakPolarHBondContact CZ-OE1 3.38Å; F445-E449 WeakPolarHBondContact O-CG 3.45Å; F445-E449 PolarHBondContact O-N 2.77Å; L447-E449 VanDerWaalsContact C-N 3.33Å; L447-E449 PolarHBondContact O-N 2.91Å; E449-F452 PolarHBondContact O-N 3.38Å; E449-G453 PolarHBondContact O-N 2.85Å
450A62.6Low68.1Low4 Ų423.8 Ų23.83%0.03314%0.144CC..Hα-helixtrans-64.3-43.9177.100000110.8A446 L447 G453 I454A446-A450 WeakPolarHBondContact O-CB 3.4Å; A446-A450 PolarHBondContact O-N 3.4Å; L447-A450 PolarHBondContact O-N 3.32Å; A450-G453 PolarHBondContact O-N 2.74Å; A450-I454 WeakPolarHBondContact O-CB 3.39Å; A450-I454 WeakPolarHBondContact O-CD1 3.47Å; A450-I454 VanDerWaalsContact O-CG1 3.23Å; A450-I454 WeakPolarHBondContact O-CG1 3.47Å; A450-I454 PolarHBondContact O-N 2.71Å
451D66Low65.5Low8 Ų829.3 Ų29.34%0.04317%0.165CC..Hα-helixtrans-65.7-39.9179.1-61.1-22.1000111.6L340 L447 S448 N455L340-D451 HydrophobicContact CD2-CB 3.82Å; L447-D451 WeakPolarHBondContact O-CB 3.44Å; L447-D451 PolarHBondContact O-N 3.04Å; S448-D451 PolarHBondContact O-N 3.11Å; D451-N455 WeakPolarHBondContact O-CB 3.18Å; D451-N455 VanDerWaalsContact O-CG 3.31Å; D451-N455 PolarHBondContact O-N 2.83Å; D451-N455 PolarHBondContact O-ND2 3.02Å
452F64Low63.1Low0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-61.7-51.4173.5-65.4-42.9000111.2N140 M143 L144 L147 F329 L331 L334 S448 E449 I454 N455 V456N140-F452 HydrophobicContact CB-CE2 4.12Å; N140-F452 HydrophobicContact CB-CZ 3.97Å; M143-F452 HydrophobicContact CG-CD2 4.31Å; L144-F452 HydrophobicContact CD1-CD1 4.19Å; L147-F452 HydrophobicContact CD2-CB 3.73Å; F329-F452 HydrophobicContact CE2-CD1 4.06Å; F329-F452 AromaticContact CE2-CE1 3.93Å; F329-F452 HydrophobicContact CE2-CE1 3.93Å; F329-F452 AromaticContact CZ-CD1 3.76Å; F329-F452 HydrophobicContact CZ-CD1 3.76Å; F329-F452 HydrophobicContact CZ-CE1 4.03Å; L331-F452 HydrophobicContact CD1-CE1 3.74Å; L331-F452 HydrophobicContact CD1-CZ 3.42Å; L331-F452 VanDerWaalsContact CD1-CZ 3.42Å; L334-F452 HydrophobicContact CD1-CD1 3.27Å; L334-F452 HydrophobicContact CD1-CE1 3.03Å; L334-F452 HydrophobicContact CD1-CG 4.4Å; L334-F452 HydrophobicContact CD1-CZ 3.99Å; L334-F452 HydrophobicContact CG-CE1 4.37Å; S448-F452 WeakPolarHBondContact O-CB 3.39Å; S448-F452 WeakPolarHBondContact O-CD2 3.31Å; S448-F452 WeakPolarHBondContact O-CG 3.25Å; S448-F452 PolarHBondContact O-N 3.35Å; E449-F452 PolarHBondContact O-N 3.38Å; F452-I454 VanDerWaalsContact C-N 3.32Å; F452-I454 PolarHBondContact O-N 3.22Å; F452-N455 PolarHBondContact O-N 3.14Å; F452-V456 VanDerWaalsContact O-CB 3.27Å; F452-V456 WeakPolarHBondContact O-CB 3.48Å; F452-V456 WeakPolarHBondContact O-CG2 3.27Å; F452-V456 PolarHBondContact O-N 3.09Å
453G48.6Very low60.6Low3 Ų330.4 Ų30.43%0.03117%0.165CC..Hα-helixtrans-56-48.8179.300000111.5E449 A450 D457E449-G453 PolarHBondContact O-N 2.85Å; A450-G453 PolarHBondContact O-N 2.74Å; G453-D457 WeakPolarHBondContact O-CB 3.38Å; G453-D457 PolarHBondContact O-N 3.47Å; G453-D457 VanDerWaalsContact O-N 3.09Å
454I54.2Low57.8Low0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-67.2-46.9-178.6-64.3163.5000111.5A294 L298 L340 V344 A450 F452 D457 L458A294-I454 HydrophobicContact CB-CD1 3.66Å; A294-I454 HydrophobicContact CB-CG1 4.46Å; L298-I454 HydrophobicContact CD1-CG2 3.81Å; L340-I454 HydrophobicContact CD1-CB 4.22Å; L340-I454 HydrophobicContact CD1-CD1 3.91Å; L340-I454 HydrophobicContact CD1-CG2 3.74Å; V344-I454 HydrophobicContact CG2-CD1 4.02Å; A450-I454 WeakPolarHBondContact O-CB 3.39Å; A450-I454 WeakPolarHBondContact O-CD1 3.47Å; A450-I454 VanDerWaalsContact O-CG1 3.23Å; A450-I454 WeakPolarHBondContact O-CG1 3.47Å; A450-I454 PolarHBondContact O-N 2.71Å; F452-I454 VanDerWaalsContact C-N 3.32Å; F452-I454 PolarHBondContact O-N 3.22Å; I454-D457 PolarHBondContact O-N 3.47Å; I454-L458 HydrophobicContact CG2-CD1 3.64Å; I454-L458 HydrophobicContact CG2-CG 4.27Å; I454-L458 VanDerWaalsContact O-CB 3.32Å; I454-L458 WeakPolarHBondContact O-CB 3.45Å; I454-L458 WeakPolarHBondContact O-CG 3.49Å; I454-L458 PolarHBondContact O-N 3.46Å
455N52Low55.3Low12 Ų1231.4 Ų31.46%0.06418%0.178CC..Hα-helixtrans-70-36.6-177.1-75.2-50.6000112.9L340 D451 F452 L458 G459L340-N455 WeakPolarHBondContact CD2-ND2 3.44Å; D451-N455 WeakPolarHBondContact O-CB 3.18Å; D451-N455 VanDerWaalsContact O-CG 3.31Å; D451-N455 PolarHBondContact O-N 2.83Å; D451-N455 PolarHBondContact O-ND2 3.02Å; F452-N455 PolarHBondContact O-N 3.14Å; N455-L458 PolarHBondContact O-N 3.32Å; N455-G459 PolarHBondContact O-N 3.39Å
456V50.9Low52.9Low8 Ų833.5 Ų33.55%0.04819%0.189CC..Hα-helixtrans-66.4-40.9175.7177.60000110.4L144 L147 M151 F327 F329 F452 L458 G459L144-V456 HydrophobicContact CD1-CG2 4.42Å; L147-V456 HydrophobicContact CD2-CB 4.35Å; L147-V456 HydrophobicContact CD2-CG2 3.97Å; M151-V456 HydrophobicContact CE-CG1 3.65Å; M151-V456 HydrophobicContact SD-CB 4.16Å; M151-V456 HydrophobicContact SD-CG1 3.33Å; M151-V456 WeakPolarHBondContact SD-CG1 3.32Å; F327-V456 HydrophobicContact CD1-CG1 4.48Å; F327-V456 HydrophobicContact CD2-CG1 3.76Å; F327-V456 HydrophobicContact CD2-CG2 4.34Å; F327-V456 HydrophobicContact CE1-CG1 4.09Å; F327-V456 HydrophobicContact CE2-CG1 3.32Å; F327-V456 HydrophobicContact CG-CG1 4.34Å; F327-V456 HydrophobicContact CG-CG2 4.46Å; F327-V456 HydrophobicContact CZ-CG1 3.5Å; F329-V456 HydrophobicContact CE1-CG2 4.39Å; F452-V456 VanDerWaalsContact O-CB 3.27Å; F452-V456 WeakPolarHBondContact O-CB 3.48Å; F452-V456 WeakPolarHBondContact O-CG2 3.27Å; F452-V456 PolarHBondContact O-N 3.09Å; V456-L458 VanDerWaalsContact C-N 3.31Å; V456-L458 PolarHBondContact O-N 2.96Å; V456-G459 PolarHBondContact O-N 3.35Å
457D52.5Low50.5Low14 Ų1433.5 Ų33.58%0.07519%0.188CC..Hα-helixtrans-64.8-34.5174.2-72.8-21.4000112.4M151 G453 I454 G459M151-D457 WeakPolarHBondContact CE-OD1 3.03Å; G453-D457 WeakPolarHBondContact O-CB 3.38Å; G453-D457 PolarHBondContact O-N 3.47Å; G453-D457 VanDerWaalsContact O-N 3.09Å; I454-D457 PolarHBondContact O-N 3.47Å; D457-G459 VanDerWaalsContact C-N 3.33Å; D457-G459 PolarHBondContact O-N 3.38Å
458L49.4Very low48.3Very low16 Ų1635.1 Ų35.18%0.08420%0.197CC..THydrogen-bonded Turntrans-88.313.2-177.8-67.7178.7000114.8L298 I305 V308 I454 N455 V456 A463L298-L458 HydrophobicContact CD1-CD1 4.24Å; I305-L458 HydrophobicContact CD1-CD2 3.82Å; I305-L458 HydrophobicContact CG1-CD2 3.97Å; V308-L458 HydrophobicContact CB-CD1 4.38Å; V308-L458 HydrophobicContact CG1-CD1 3.52Å; I454-L458 HydrophobicContact CG2-CD1 3.64Å; I454-L458 HydrophobicContact CG2-CG 4.27Å; I454-L458 VanDerWaalsContact O-CB 3.32Å; I454-L458 WeakPolarHBondContact O-CB 3.45Å; I454-L458 WeakPolarHBondContact O-CG 3.49Å; I454-L458 PolarHBondContact O-N 3.46Å; N455-L458 PolarHBondContact O-N 3.32Å; V456-L458 VanDerWaalsContact C-N 3.31Å; V456-L458 PolarHBondContact O-N 2.96Å; L458-A463 HydrophobicContact CB-CB 4.44Å; L458-A463 HydrophobicContact CD2-CB 4.27Å; L458-A463 VanDerWaalsContact O-CB 3.25Å; L458-A463 WeakPolarHBondContact O-CB 3.19Å
459G46.9Very low46.3Very low21 Ų2136.9 Ų36.922%0.21621%0.207CC..  trans-47146.8178.700000113N455 V456 D457 Q461 L462 A463N455-G459 PolarHBondContact O-N 3.39Å; V456-G459 PolarHBondContact O-N 3.35Å; D457-G459 VanDerWaalsContact C-N 3.33Å; D457-G459 PolarHBondContact O-N 3.38Å; G459-Q461 PolarHBondContact O-N 2.88Å; G459-L462 PolarHBondContact O-N 2.96Å; G459-A463 WeakPolarHBondContact O-CB 3.02Å; G459-A463 PolarHBondContact O-N 2.8Å
460P39.8Very low44.2Very low98 Ų9839.9 Ų39.964%0.63622%0.222SC*.Hα-helixtrans-54.7-34.8-163.6-25.931.7000115Q464P460-Q464 WeakPolarHBondContact O-CB 3.45Å
461Q37Very low42.8Very low160 Ų16043.6 Ų43.675%0.74824%0.24SC*.Hα-helixtrans-84.2-37.9-179.5-66.1174.4-2.700112.7G459 S465G459-Q461 PolarHBondContact O-N 2.88Å; Q461-S465 WeakPolarHBondContact O-CB 3.39Å; Q461-S465 PolarHBondContact O-N 2.79Å
462L38.1Very low41.1Very low85 Ų8546.1 Ų46.145%0.44526%0.258SS..Hα-helixtrans-77.5-37.5-178.3-165.369.1000111.3G459 S465 I466G459-L462 PolarHBondContact O-N 2.96Å; L462-S465 PolarHBondContact O-N 2.85Å; L462-I466 HydrophobicContact CD1-CD1 4.34Å; L462-I466 HydrophobicContact CD2-CD1 4.22Å; L462-I466 HydrophobicContact CG-CD1 3.78Å; L462-I466 HydrophobicContact CG-CG1 4.34Å; L462-I466 WeakPolarHBondContact O-CB 3.38Å; L462-I466 VanDerWaalsContact O-CG1 3.31Å; L462-I466 WeakPolarHBondContact O-CG1 3.26Å; L462-I466 PolarHBondContact O-N 3.17Å
463A36Very low39.6Very low1 Ų152.6 Ų52.61%0.00828%0.283CS..Hα-helixtrans-68.4-35.4175.200000112.9R309 L458 G459 C467R309-A463 PolarHBondContact NH2-O 2.78Å; L458-A463 HydrophobicContact CB-CB 4.44Å; L458-A463 HydrophobicContact CD2-CB 4.27Å; L458-A463 VanDerWaalsContact O-CB 3.25Å; L458-A463 WeakPolarHBondContact O-CB 3.19Å; G459-A463 WeakPolarHBondContact O-CB 3.02Å; G459-A463 PolarHBondContact O-N 2.8Å; A463-C467 WeakPolarHBondContact O-CB 3.29Å; A463-C467 PolarHBondContact O-N 3.1Å; A463-C467 PolarHBondContact O-SG 3.07Å
464Q33Very low38.7Very low91 Ų9154.4 Ų54.443%0.42529%0.292SS..Hα-helixtrans-64.5-47.2172.4-164.472.139.800109.7P460 D468P460-Q464 WeakPolarHBondContact O-CB 3.45Å; Q464-D468 WeakPolarHBondContact CG-OD2 3.28Å; Q464-D468 PolarHBondContact NE2-OD1 2.93Å; Q464-D468 PolarHBondContact NE2-OD2 3.34Å; Q464-D468 WeakPolarHBondContact O-CB 3.45Å; Q464-D468 PolarHBondContact O-N 2.84Å
465S32.8Very low37.8Very low49 Ų4959.5 Ų59.534%0.34332%0.323SS..Hα-helixtrans-65.4-46.3178.3-170.50000113.7W164 Q461 L462 T469W164-S465 WeakPolarHBondContact CH2-OG 3.47Å; W164-S465 WeakPolarHBondContact CZ2-OG 3.35Å; Q461-S465 WeakPolarHBondContact O-CB 3.39Å; Q461-S465 PolarHBondContact O-N 2.79Å; L462-S465 PolarHBondContact O-N 2.85Å; S465-T469 WeakPolarHBondContact O-CB 3.47Å; S465-T469 PolarHBondContact O-N 3.32Å; S465-T469 PolarHBondContact O-OG1 2.95Å
466I35Very low36.8Very low53 Ų5366.1 Ų66.127%0.27235%0.353SS..Hα-helixtrans-67.6-43178.4-68.1172.9000110.7L299 L462 M470L299-I466 HydrophobicContact CD2-CG2 4.2Å; L462-I466 HydrophobicContact CD1-CD1 4.34Å; L462-I466 HydrophobicContact CD2-CD1 4.22Å; L462-I466 HydrophobicContact CG-CD1 3.78Å; L462-I466 HydrophobicContact CG-CG1 4.34Å; L462-I466 WeakPolarHBondContact O-CB 3.38Å; L462-I466 VanDerWaalsContact O-CG1 3.31Å; L462-I466 WeakPolarHBondContact O-CG1 3.26Å; L462-I466 PolarHBondContact O-N 3.17Å; I466-M470 HydrophobicContact CG2-CG 4.34Å; I466-M470 HydrophobicContact CG2-SD 3.98Å; I466-M470 WeakPolarHBondContact O-CA 3.4Å; I466-M470 WeakPolarHBondContact O-CB 3.5Å; I466-M470 PolarHBondContact O-N 3.19Å
467C31.7Very low35.8Very low13 Ų1371.8 Ų71.89%0.08838%0.379CS..Hα-helixtrans-69.6-46.4177.6-69.60000111.7I305 R309 A463 T469 I471I305-C467 VanDerWaalsContact CD1-SG 3.51Å; R309-C467 PolarHBondContact NH2-SG 3.36Å; R309-C467 VanDerWaalsContact NH2-SG 3.4Å; A463-C467 WeakPolarHBondContact O-CB 3.29Å; A463-C467 PolarHBondContact O-N 3.1Å; A463-C467 PolarHBondContact O-SG 3.07Å; C467-T469 VanDerWaalsContact C-N 3.26Å; C467-T469 PolarHBondContact O-N 2.96Å; C467-I471 HydrophobicContact CB-CD1 4.31Å; C467-I471 WeakPolarHBondContact O-CA 3.33Å; C467-I471 WeakPolarHBondContact O-CB 3.38Å; C467-I471 WeakPolarHBondContact O-CG1 3.14Å; C467-I471 PolarHBondContact O-N 2.84Å
468D32.9Very low34.9Very low79 Ų7976 Ų7642%0.42240%0.397SS..Hα-helixtrans-66.7-32.1-178.2-65.6-15.8000110.8Q464 S472Q464-D468 WeakPolarHBondContact CG-OD2 3.28Å; Q464-D468 PolarHBondContact NE2-OD1 2.93Å; Q464-D468 PolarHBondContact NE2-OD2 3.34Å; Q464-D468 WeakPolarHBondContact O-CB 3.45Å; Q464-D468 PolarHBondContact O-N 2.84Å; D468-S472 PolarHBondContact O-N 2.78Å; D468-S472 WeakPolarHBondContact O-CB 3.27Å; D468-S472 PolarHBondContact O-OG 2.82Å
469T36.3Very low34Very low56 Ų5679.5 Ų79.534%0.34442%0.422SS..Hα-helixtrans-87.2-39.1179.3-47.10000113.2W164 S465 C467 W473W164-T469 HydrophobicContact CH2-CG2 4.06Å; W164-T469 HydrophobicContact CZ2-CG2 3.63Å; W164-T469 VanDerWaalsContact CZ2-OG1 3.25Å; W164-T469 WeakPolarHBondContact CZ2-OG1 3.47Å; S465-T469 WeakPolarHBondContact O-CB 3.47Å; S465-T469 PolarHBondContact O-N 3.32Å; S465-T469 PolarHBondContact O-OG1 2.95Å; C467-T469 VanDerWaalsContact C-N 3.26Å; C467-T469 PolarHBondContact O-N 2.96Å; T469-W473 WeakPolarHBondContact O-CB 3.38Å; T469-W473 PolarHBondContact O-N 3Å
470M29.4Very low33.4Very low67 Ų6783.1 Ų83.133%0.3345%0.45SS..Hα-helixtrans-70.5-37.3171.7-84.7-174.354.600111.7L299 I466 L474L299-M470 HydrophobicContact CB-CE 4.02Å; L299-M470 HydrophobicContact CD1-CE 4.01Å; L299-M470 HydrophobicContact CD1-SD 4.02Å; L299-M470 HydrophobicContact CD2-CE 4Å; L299-M470 HydrophobicContact CD2-SD 3.79Å; L299-M470 HydrophobicContact CG-CE 4.23Å; L299-M470 HydrophobicContact CG-SD 4.41Å; I466-M470 HydrophobicContact CG2-CG 4.34Å; I466-M470 HydrophobicContact CG2-SD 3.98Å; I466-M470 WeakPolarHBondContact O-CA 3.4Å; I466-M470 WeakPolarHBondContact O-CB 3.5Å; I466-M470 PolarHBondContact O-N 3.19Å; M470-L474 HydrophobicContact CE-CD1 4.21Å; M470-L474 WeakPolarHBondContact O-CA 3.39Å; M470-L474 WeakPolarHBondContact O-CB 3.25Å; M470-L474 WeakPolarHBondContact O-CD1 3.46Å; M470-L474 WeakPolarHBondContact O-CG 3.48Å; M470-L474 PolarHBondContact O-N 2.98Å
471I32.3Very low33.1Very low82 Ų8283.8 Ų83.842%0.42145%0.453SS..Hα-helixtrans-70.4-41.6174.9-65171.7000109.3C467 L474 V475C467-I471 HydrophobicContact CB-CD1 4.31Å; C467-I471 WeakPolarHBondContact O-CA 3.33Å; C467-I471 WeakPolarHBondContact O-CB 3.38Å; C467-I471 WeakPolarHBondContact O-CG1 3.14Å; C467-I471 PolarHBondContact O-N 2.84Å; I471-L474 PolarHBondContact O-N 2.79Å; I471-V475 HydrophobicContact CG2-CG2 3.95Å; I471-V475 WeakPolarHBondContact O-CB 3.34Å; I471-V475 WeakPolarHBondContact O-CG2 3.49Å; I471-V475 PolarHBondContact O-N 2.7Å
472S30.7Very low32.9Very low61 Ų6183.8 Ų83.843%0.42745%0.453SS..Hα-helixtrans-63-43.1172.8-64.60000112D468 V475 E476D468-S472 PolarHBondContact O-N 2.78Å; D468-S472 WeakPolarHBondContact O-CB 3.27Å; D468-S472 PolarHBondContact O-OG 2.82Å; S472-V475 PolarHBondContact O-N 3.07Å; S472-E476 PolarHBondContact O-N 3.48Å; S472-E476 VanDerWaalsContact O-CG 3.24Å; S472-E476 WeakPolarHBondContact O-CG 3.42Å; S472-E476 WeakPolarHBondContact O-CB 3.26Å
473W32.8Very low32.8Very low136 Ų13681.3 Ų81.352%0.51545%0.445SS..Hα-helixtrans-66.7-42.7176.6-17684.5000112.5T469 E476 H477 F478T469-W473 WeakPolarHBondContact O-CB 3.38Å; T469-W473 PolarHBondContact O-N 3Å; W473-E476 PolarHBondContact O-N 2.96Å; W473-H477 AromaticContact CD1-ND1 3.78Å; W473-H477 AromaticContact NE1-ND1 3.86Å; W473-H477 VanDerWaalsContact O-CB 3.31Å; W473-H477 WeakPolarHBondContact O-CB 3.39Å; W473-H477 PolarHBondContact O-N 2.89Å; W473-F478 HydrophobicContact CH2-CE2 4.17Å; W473-F478 AromaticContact CZ3-CE2 3.88Å; W473-F478 HydrophobicContact CZ3-CE2 3.88Å
474L30Very low32.6Very low41 Ų4186.6 Ų86.622%0.21547%0.469CS..Hα-helixtrans-66.4-37.9175.4-73.4167.1000111.2M470 I471 F478M470-L474 HydrophobicContact CE-CD1 4.21Å; M470-L474 WeakPolarHBondContact O-CA 3.39Å; M470-L474 WeakPolarHBondContact O-CB 3.25Å; M470-L474 WeakPolarHBondContact O-CD1 3.46Å; M470-L474 WeakPolarHBondContact O-CG 3.48Å; M470-L474 PolarHBondContact O-N 2.98Å; I471-L474 PolarHBondContact O-N 2.79Å; L474-F478 PolarHBondContact O-N 3.13Å; L474-F478 WeakPolarHBondContact O-CB 3.06Å; L474-F478 WeakPolarHBondContact O-CA 3.48Å; L474-F478 HydrophobicContact CD2-CZ 4.5Å; L474-F478 HydrophobicContact CD2-CE2 3.6Å; L474-F478 HydrophobicContact CD2-CD2 3.58Å; L474-F478 HydrophobicContact CD2-CG 4.47Å
475V34Very low32.3Very low107 Ų10786.3 Ų86.365%0.64848%0.475SS*.Hα-helixtrans-74.4-33.2177.8170.50000111.7I471 S472I471-V475 HydrophobicContact CG2-CG2 3.95Å; I471-V475 WeakPolarHBondContact O-CB 3.34Å; I471-V475 WeakPolarHBondContact O-CG2 3.49Å; I471-V475 PolarHBondContact O-N 2.7Å; S472-V475 PolarHBondContact O-N 3.07Å
476E31.6Very low32.3Very low151 Ų15190 Ų9071%0.70649%0.491SS*.Hα-helixtrans-82.9-30.2178.8-73.9179.2167.300113.5S472 W473S472-E476 PolarHBondContact O-N 3.48Å; S472-E476 VanDerWaalsContact O-CG 3.24Å; S472-E476 WeakPolarHBondContact O-CG 3.42Å; S472-E476 WeakPolarHBondContact O-CB 3.26Å; W473-E476 PolarHBondContact O-N 2.96Å
477H30.4Very low32.4Very low127 Ų12794.4 Ų94.459%0.58851%0.514SS*.Hα-helixtrans-106.9-19.9-177.6-71.668.9000114.6W473W473-H477 AromaticContact CD1-ND1 3.78Å; W473-H477 AromaticContact NE1-ND1 3.86Å; W473-H477 VanDerWaalsContact O-CB 3.31Å; W473-H477 WeakPolarHBondContact O-CB 3.39Å; W473-H477 PolarHBondContact O-N 2.89Å
478F32.7Very low32.2Very low103 Ų103102.8 Ų102.845%0.45254%0.544SS..  trans-101.669.3171.2-70.9-101.1000110.8W473 L474 A483W473-F478 HydrophobicContact CH2-CE2 4.17Å; W473-F478 AromaticContact CZ3-CE2 3.88Å; W473-F478 HydrophobicContact CZ3-CE2 3.88Å; L474-F478 PolarHBondContact O-N 3.13Å; L474-F478 WeakPolarHBondContact O-CB 3.06Å; L474-F478 WeakPolarHBondContact O-CA 3.48Å; L474-F478 HydrophobicContact CD2-CZ 4.5Å; L474-F478 HydrophobicContact CD2-CE2 3.6Å; L474-F478 HydrophobicContact CD2-CD2 3.58Å; L474-F478 HydrophobicContact CD2-CG 4.47Å; F478-A483 HydrophobicContact CD1-CB 4.37Å
479S31Very low31.9Very low88 Ų88105 Ų10562%0.61555%0.551SS**  trans-61.7135.8154.383.50000108.4T481S479-T481 PolarHBondContact O-N 2.89Å
480A33.9Very low31.4Very low98 Ų98107.9 Ų107.981%0.8157%0.573SS**THydrogen-bonded Turntrans-67.631-156.200000117.8
481T34Very low31.8Very low112 Ų112113.9 Ų113.969%0.68759%0.593SS**THydrogen-bonded Turntrans-114.5-15.6-174.738.20000115.6S479S479-T481 PolarHBondContact O-N 2.89Å
482E32.6Very low31.5Very low160 Ų160113.2 Ų113.275%0.74860%0.595SS**SBendtrans-108.6-8.9-175.9-66.3-169.716500115.3P485E482-P485 WeakPolarHBondContact O-CD 3.15Å
483A35Very low31.3Very low33 Ų33112 Ų11227%0.27359%0.585SS.*SBendtrans-87.7-21.8-179.800000114.1F478 P485 L486 L487F478-A483 HydrophobicContact CD1-CB 4.37Å; A483-P485 VanDerWaalsContact C-CD 3.48Å; A483-L486 PolarHBondContact O-N 3.17Å; A483-L487 WeakPolarHBondContact O-CB 3.41Å; A483-L487 VanDerWaalsContact O-N 3.1Å; A483-L487 PolarHBondContact O-N 3.42Å; A483-L487 WeakPolarHBondContact O-CG 3.04Å; A483-L487 WeakPolarHBondContact O-CD1 3.31Å; A483-L487 HydrophobicContact CB-CD1 4.12Å
484E31.8Very low31Very low111 Ų111110.2 Ų110.252%0.51959%0.592SS.*Hα-helixtrans-60-37.4-177.6-112.5-160.813500114.6L487 R488E484-L487 PolarHBondContact O-N 2.84Å; E484-R488 PolarHBondContact O-N 2.72Å; E484-R488 PolarHBondContact OE1-NH2 2.96Å; E484-R488 IonicContact OE1-NH2 2.76Å; E484-R488 IonicContact OE1-NE 3.58Å; E484-R488 IonicContact OE1-CZ 3.05Å; E484-R488 WeakPolarHBondContact O-CG 3.48Å
485P28.3Very low30.8Very low86 Ų86113.1 Ų113.156%0.55861%0.611SS**Hα-helixtrans-70.2-38.1178.3-18.331.5000113.1E482 A483 L487 R488 E489E482-P485 WeakPolarHBondContact O-CD 3.15Å; A483-P485 VanDerWaalsContact C-CD 3.48Å; P485-L487 VanDerWaalsContact C-N 3.3Å; P485-L487 PolarHBondContact O-N 3.46Å; P485-R488 PolarHBondContact O-N 3.08Å; P485-E489 PolarHBondContact O-N 3.42Å
486L31.8Very low30.6Very low127 Ų127113.1 Ų113.167%0.66561%0.607SS**Hα-helixtrans-72.4-24.8178-73.4167.1000112.6A483A483-L486 PolarHBondContact O-N 3.17Å
487L36.1Very low30.5Very low145 Ų145111.2 Ų111.276%0.75960%0.602SS**Hα-helixtrans-83.4-18.7175-69.1168.1000113.4A483 E484 P485A483-L487 WeakPolarHBondContact O-CB 3.41Å; A483-L487 VanDerWaalsContact O-N 3.1Å; A483-L487 PolarHBondContact O-N 3.42Å; A483-L487 WeakPolarHBondContact O-CG 3.04Å; A483-L487 WeakPolarHBondContact O-CD1 3.31Å; A483-L487 HydrophobicContact CB-CD1 4.12Å; E484-L487 PolarHBondContact O-N 2.84Å; P485-L487 VanDerWaalsContact C-N 3.3Å; P485-L487 PolarHBondContact O-N 3.46Å
488R29.2Very low30.5Very low189 Ų189110.4 Ų110.471%0.71360%0.603SS**Hα-helixtrans-97.8-11.2179.6-76.3-172.2-167.4-155.98.2114.8E484 P485 S490E484-R488 PolarHBondContact O-N 2.72Å; E484-R488 PolarHBondContact OE1-NH2 2.96Å; E484-R488 IonicContact OE1-NH2 2.76Å; E484-R488 IonicContact OE1-NE 3.58Å; E484-R488 IonicContact OE1-CZ 3.05Å; E484-R488 WeakPolarHBondContact O-CG 3.48Å; P485-R488 PolarHBondContact O-N 3.08Å; R488-S490 PolarHBondContact O-N 3.21Å; R488-S490 VanDerWaalsContact O-N 3.12Å
489E25.1Very low30.4Very low126 Ų126110.8 Ų110.859%0.58961%0.611SS**SBendtrans-65.6116.9171.1-79.7-165.4158.200109.6P485 W491P485-E489 PolarHBondContact O-N 3.42Å; E489-W491 VanDerWaalsContact C-N 3.26Å; E489-W491 PolarHBondContact O-N 3.4Å
490S25.8Very low30.4Very low115 Ų115112.1 Ų112.180%0.80461%0.611SS**  trans-58.992.916755.70000108.4R488 S492R488-S490 PolarHBondContact O-N 3.21Å; R488-S490 VanDerWaalsContact O-N 3.12Å; S490-S492 PolarHBondContact O-N 3.24Å
491W38.8Very low30.2Very low194 Ų194113 Ų11374%0.73560%0.598SS**PPolyproline II helixtrans-70.3120.2-172.1-109.783.7000110.6E489E489-W491 VanDerWaalsContact C-N 3.26Å; E489-W491 PolarHBondContact O-N 3.4Å
492S25Very low29.9Very low68 Ų68113.1 Ų113.148%0.47659%0.593SS.*PPolyproline II helixtrans-74.3135.4169.7-61.30000108.3S490S490-S492 PolarHBondContact O-N 3.24Å
493P26.2Very low29.7Very low34 Ų34109.7 Ų109.722%0.22158%0.581CS.*PPolyproline II helixtrans-56.6152177.520.8-29.7000110.8F54 T495F54-P493 HydrophobicContact CB-CG 3.5Å; F54-P493 VanDerWaalsContact CB-CG 3.5Å; F54-P493 HydrophobicContact CD1-CG 3.69Å; F54-P493 HydrophobicContact CG-CG 3.74Å; P493-T495 PolarHBondContact O-N 3Å
494P26.6Very low29.3Very low100 Ų100115.6 Ų115.665%0.64961%0.605SS**PPolyproline II helixtrans-53.112918021.8-31.5000109.3L496P494-L496 PolarHBondContact O-N 3.29Å; P494-L496 VanDerWaalsContact O-N 3.1Å
495T26.9Very low29.1Very low101 Ų101116 Ų11662%0.6261%0.612SS**  trans-61112.3170.650.50000107.8K51 P493K51-T495 WeakPolarHBondContact O-CG2 3.32Å; P493-T495 PolarHBondContact O-N 3Å
496L29.2Very low29.2Very low107 Ų107118.7 Ų118.756%0.5662%0.617SS**  trans-57.90173.2-77.4164.9000112.1M53 P214 P494M53-L496 HydrophobicContact CE-CD1 3.71Å; P214-L496 HydrophobicContact CB-CB 4.23Å; P214-L496 HydrophobicContact CB-CD2 4.45Å; P214-L496 VanDerWaalsContact CB-OXT 3.29Å; P214-L496 WeakPolarHBondContact CB-OXT 3.22Å; P214-L496 HydrophobicContact CG-CD2 4.42Å; P494-L496 PolarHBondContact O-N 3.29Å; P494-L496 VanDerWaalsContact O-N 3.1Å

Retrieved 496 of 496 residues in 341.8 ms (Link to these results)

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