A0A096NV96_PAPAN Loading...

DDRGK domain-containing protein 1

AlphaFold DB (A0A2K6BHT8), UniProt , Accession A0A096NV96, Species PAPAN (Papio anubis, Olive baboon), Gene DDRGK1, Length 314 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
1M53.4Low78.4Confident231 Ų231110.5 Ų110.5100%1.13860%0.603SS**  073.80-67.9-159.3-71.200109.9
2V56.7Low79.7Confident101 Ų101106.8 Ų106.861%0.61260%0.598SS**  trans-116-9.7-174.9-155.80000112.6
3G65.5Low80.9Confident37 Ų37108.2 Ų108.238%0.38160%0.602SS.*Hα-helixtrans-58.6-51-175.700000116.9V5 W6 Y7G3-V5 PolarHBondContact O-N 3.28Å; G3-W6 PolarHBondContact O-N 3.03Å; G3-Y7 WeakPolarHBondContact O-CD2 3.27Å; G3-Y7 PolarHBondContact O-N 3.41Å
4P74.4Confident81.8Confident88 Ų88107.9 Ų107.957%0.57160%0.598SS**Hα-helixtrans-72.4-28.2-163.624.5-31.7000114.4L8P4-L8 WeakPolarHBondContact O-CG 3.27Å; P4-L8 PolarHBondContact O-N 3.04Å
5V79.3Confident82.6Confident99 Ų99106.3 Ų106.360%0.659%0.593SS**Hα-helixtrans-72.7-38.9-179-177.30000111G3 Y7 L8 V9G3-V5 PolarHBondContact O-N 3.28Å; V5-Y7 VanDerWaalsContact C-N 3.35Å; V5-Y7 PolarHBondContact O-N 3.23Å; V5-L8 PolarHBondContact O-N 2.91Å; V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.41Å; V5-V9 VanDerWaalsContact O-N 3.08Å
6W85.2Confident83.4Confident179 Ų179102.2 Ų102.268%0.67858%0.581SS**Hα-helixtrans-67.6-34.1177.2-71.1110.1000112.8G3 L8 V9 A10G3-W6 PolarHBondContact O-N 3.03Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.92Å; W6-V9 PolarHBondContact O-N 3.02Å; W6-A10 WeakPolarHBondContact O-CB 3.46Å; W6-A10 PolarHBondContact O-N 3.03Å
7Y87.7Confident83.9Confident181 Ų181103.4 Ų103.471%0.7158%0.579SS**Hα-helixtrans-65.6-35.9173.5-72.5-66.4000112.6G3 V5 A11G3-Y7 WeakPolarHBondContact O-CD2 3.27Å; G3-Y7 PolarHBondContact O-N 3.41Å; V5-Y7 VanDerWaalsContact C-N 3.35Å; V5-Y7 PolarHBondContact O-N 3.23Å; Y7-A11 VanDerWaalsContact O-CB 3.25Å; Y7-A11 WeakPolarHBondContact O-CB 3.41Å; Y7-A11 PolarHBondContact O-N 2.94Å
8L88.3Confident84.3Confident127 Ų127102.5 Ų102.567%0.66557%0.571SS**Hα-helixtrans-69.2-39.8175.8-68.6174000112P4 V5 W6 A11 A12P4-L8 WeakPolarHBondContact O-CG 3.27Å; P4-L8 PolarHBondContact O-N 3.04Å; V5-L8 PolarHBondContact O-N 2.91Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.92Å; L8-A11 PolarHBondContact O-N 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 3.32Å
9V90.9Very high84.7Confident69 Ų69102.9 Ų102.942%0.41857%0.572SS.*Hα-helixtrans-65.5-45.3175.1175.70000110.8V5 W6 A11 A12 L13V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.41Å; V5-V9 VanDerWaalsContact O-N 3.08Å; W6-V9 PolarHBondContact O-N 3.02Å; V9-A11 PolarHBondContact O-N 3.4Å; V9-A12 PolarHBondContact O-N 2.89Å; V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.28Å
10A89.9Confident84.9Confident55 Ų55104.8 Ų104.846%0.45557%0.574SS.*Hα-helixtrans-62.5-41.1176.700000112.2W6 L13 L14W6-A10 WeakPolarHBondContact O-CB 3.46Å; W6-A10 PolarHBondContact O-N 3.03Å; A10-L13 PolarHBondContact O-N 3.41Å; A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.22Å
11A91.6Very high85Confident49 Ų49103.2 Ų103.241%0.40556%0.564SS.*Hα-helixtrans-64.1-40.6176.400000112.1Y7 L8 V9 L14 V15Y7-A11 VanDerWaalsContact O-CB 3.25Å; Y7-A11 WeakPolarHBondContact O-CB 3.41Å; Y7-A11 PolarHBondContact O-N 2.94Å; L8-A11 PolarHBondContact O-N 3.25Å; V9-A11 PolarHBondContact O-N 3.4Å; A11-L14 PolarHBondContact O-N 3.4Å; A11-V15 VanDerWaalsContact O-CG2 3.32Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.47Å
12A93.7Very high86.4Confident66 Ų6696.1 Ų96.155%0.54553%0.534SS..Hα-helixtrans-64.2-41176.800000112.2L8 V9 G16L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 3.32Å; V9-A12 PolarHBondContact O-N 2.89Å; A12-G16 PolarHBondContact O-N 2.74Å
13L94.6Very high87.6Confident124 Ų12499.9 Ų99.965%0.64954%0.537SS*.Hα-helixtrans-65.2-41.1175.8-69.6174.3000112.1V9 A10 G16 F17V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.28Å; A10-L13 PolarHBondContact O-N 3.41Å; L13-G16 PolarHBondContact O-N 2.97Å; L13-F17 WeakPolarHBondContact O-CB 3.46Å; L13-F17 PolarHBondContact O-N 2.84Å
14L94Very high87.9Confident104 Ų104100.5 Ų100.555%0.54554%0.536SS..Hα-helixtrans-65.7-42.9179.4-151.8166.7000111.1A10 A11 F17 I18A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.22Å; A11-L14 PolarHBondContact O-N 3.4Å; L14-F17 PolarHBondContact O-N 3.17Å; L14-I18 HydrophobicContact CD2-CD1 3.38Å; L14-I18 HydrophobicContact CD2-CG1 3.98Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.96Å
15V93.6Very high87.5Confident85 Ų85105.7 Ų105.752%0.51554%0.544SS..Hα-helixtrans-63.9-42.3174.6173.40000111.3A11 F17 I18 L19A11-V15 VanDerWaalsContact O-CG2 3.32Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.47Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 2.83Å; V15-I18 PolarHBondContact O-N 2.81Å; V15-L19 HydrophobicContact CG1-CD1 4.16Å; V15-L19 WeakPolarHBondContact O-CG 3.21Å; V15-L19 PolarHBondContact O-N 3.44Å
16G94.9Very high86.5Confident40 Ų40103.2 Ų103.241%0.41254%0.539SS..Hα-helixtrans-59.8-41.4174.600000112.7A12 L13 L19 F20A12-G16 PolarHBondContact O-N 2.74Å; L13-G16 PolarHBondContact O-N 2.97Å; G16-L19 PolarHBondContact O-N 3.21Å; G16-F20 WeakPolarHBondContact O-CB 3.46Å; G16-F20 PolarHBondContact O-N 3.28Å
17F93.1Very high85.2Confident123 Ų123103.1 Ų103.154%0.53954%0.538SS..Hα-helixtrans-66.9-41.3177.4-170.9-107.8000112.5L13 L14 V15 L19 F20 L21L13-F17 WeakPolarHBondContact O-CB 3.46Å; L13-F17 PolarHBondContact O-N 2.84Å; L14-F17 PolarHBondContact O-N 3.17Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 2.83Å; F17-L19 PolarHBondContact O-N 2.97Å; F17-F20 WeakPolarHBondContact O-CB 3.34Å; F17-F20 PolarHBondContact O-N 3.08Å; F17-L21 HydrophobicContact CD1-CD1 3.79Å; F17-L21 HydrophobicContact CD1-CG 4.35Å; F17-L21 HydrophobicContact CE1-CD1 3.4Å; F17-L21 HydrophobicContact CE1-CG 4.09Å; F17-L21 HydrophobicContact CZ-CD1 3.94Å; F17-L21 HydrophobicContact CZ-CD2 4.38Å; F17-L21 HydrophobicContact CZ-CG 4.25Å; F17-L21 WeakPolarHBondContact O-CG 2.96Å; F17-L21 PolarHBondContact O-N 2.63Å
18I90.8Very high83.6Confident87 Ų8797.4 Ų97.445%0.44653%0.529SS..Hα-helixtrans-63.7-41.7174.6-67.1168.1000111L14 V15 F20 L21 T22L14-I18 HydrophobicContact CD2-CD1 3.38Å; L14-I18 HydrophobicContact CD2-CG1 3.98Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.96Å; V15-I18 PolarHBondContact O-N 2.81Å; I18-F20 VanDerWaalsContact C-N 3.31Å; I18-F20 PolarHBondContact O-N 3.41Å; I18-L21 PolarHBondContact O-N 2.89Å; I18-T22 HydrophobicContact CG2-CG2 4.41Å; I18-T22 WeakPolarHBondContact O-CB 3.33Å; I18-T22 WeakPolarHBondContact O-CG2 3.28Å; I18-T22 PolarHBondContact O-N 2.95Å; I18-T22 PolarHBondContact O-OG1 3.44Å
19L90.8Very high81.9Confident110 Ų11094.2 Ų94.258%0.57652%0.52SS*.Hα-helixtrans-65.2-35.7175.5-72.3174.8000112.1V15 G16 F17 T22 R23V15-L19 HydrophobicContact CG1-CD1 4.16Å; V15-L19 WeakPolarHBondContact O-CG 3.21Å; V15-L19 PolarHBondContact O-N 3.44Å; G16-L19 PolarHBondContact O-N 3.21Å; F17-L19 PolarHBondContact O-N 2.97Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-OG1 3.27Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å; L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 3.4Å
20F89.1Confident80.1Confident141 Ų14193.9 Ų93.962%0.61852%0.521SS*.Hα-helixtrans-66.7-44.1175-179-101000112G16 F17 I18 R23 S24G16-F20 WeakPolarHBondContact O-CB 3.46Å; G16-F20 PolarHBondContact O-N 3.28Å; F17-F20 WeakPolarHBondContact O-CB 3.34Å; F17-F20 PolarHBondContact O-N 3.08Å; I18-F20 VanDerWaalsContact C-N 3.31Å; I18-F20 PolarHBondContact O-N 3.41Å; F20-R23 PolarHBondContact O-N 3.39Å; F20-S24 WeakPolarHBondContact O-CB 3.25Å; F20-S24 PolarHBondContact O-N 3.25Å; F20-S24 PolarHBondContact O-OG 2.96Å
21L86.9Confident78.3Confident71 Ų7194.1 Ų94.137%0.37252%0.523SS..Hα-helixtrans-68.5-35.5178.2-71.6179.4000113.3F17 I18 S24 R25F17-L21 HydrophobicContact CD1-CD1 3.79Å; F17-L21 HydrophobicContact CD1-CG 4.35Å; F17-L21 HydrophobicContact CE1-CD1 3.4Å; F17-L21 HydrophobicContact CE1-CG 4.09Å; F17-L21 HydrophobicContact CZ-CD1 3.94Å; F17-L21 HydrophobicContact CZ-CD2 4.38Å; F17-L21 HydrophobicContact CZ-CG 4.25Å; F17-L21 WeakPolarHBondContact O-CG 2.96Å; F17-L21 PolarHBondContact O-N 2.63Å; I18-L21 PolarHBondContact O-N 2.89Å; L21-S24 WeakPolarHBondContact CA-OG 3.5Å; L21-S24 PolarHBondContact O-OG 3.21Å; L21-S24 VanDerWaalsContact O-OG 3.1Å; L21-R25 WeakPolarHBondContact O-CB 3.46Å; L21-R25 WeakPolarHBondContact O-CG 3.36Å; L21-R25 PolarHBondContact O-N 2.91Å; L21-R25 VanDerWaalsContact O-N 3.13Å
22T83.1Confident76.3Confident82 Ų8295 Ų9550%0.50353%0.526SS..Hα-helixtrans-72.5-37.6175.749.10000111.4I18 L19 G26I18-T22 HydrophobicContact CG2-CG2 4.41Å; I18-T22 WeakPolarHBondContact O-CB 3.33Å; I18-T22 WeakPolarHBondContact O-CG2 3.28Å; I18-T22 PolarHBondContact O-N 2.95Å; I18-T22 PolarHBondContact O-OG1 3.44Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-OG1 3.27Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å; T22-G26 PolarHBondContact O-N 3.31Å; T22-G26 VanDerWaalsContact O-N 3.13Å
23R81.9Confident74.2Confident180 Ų18099.1 Ų99.168%0.67953%0.534SS*.Hα-helixtrans-72.2-33.5175.9-166.7176.4176101.7-1.8113.1L19 F20 R27L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 3.4Å; F20-R23 PolarHBondContact O-N 3.39Å; R23-R27 PolarHBondContact O-N 3.28Å
24S72.4Confident72.1Confident51 Ų51100.4 Ų100.436%0.35754%0.537SS..Hα-helixtrans-73.2-37.817666.60000112.1F20 L21 G26 R27 A28F20-S24 WeakPolarHBondContact O-CB 3.25Å; F20-S24 PolarHBondContact O-N 3.25Å; F20-S24 PolarHBondContact O-OG 2.96Å; L21-S24 WeakPolarHBondContact CA-OG 3.5Å; L21-S24 PolarHBondContact O-OG 3.21Å; L21-S24 VanDerWaalsContact O-OG 3.1Å; S24-G26 VanDerWaalsContact C-N 3.35Å; S24-G26 PolarHBondContact O-N 3.11Å; S24-R27 PolarHBondContact O-N 2.88Å; S24-A28 PolarHBondContact O-N 3.28Å; S24-A28 VanDerWaalsContact O-N 3.16Å
25R65.3Low70Confident196 Ų19698.9 Ų98.974%0.7454%0.535SS*.Hα-helixtrans-64.5-35.9171.7-80.6-179.8162.5155.4-3.1113L21 R27 A28 A29L21-R25 WeakPolarHBondContact O-CB 3.46Å; L21-R25 WeakPolarHBondContact O-CG 3.36Å; L21-R25 PolarHBondContact O-N 2.91Å; L21-R25 VanDerWaalsContact O-N 3.13Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 3.29Å; R25-A28 PolarHBondContact O-N 3.21Å; R25-A29 PolarHBondContact O-N 2.82Å; R25-A29 VanDerWaalsContact O-N 3.15Å
26G58.3Low67.7Low47 Ų47101.2 Ų101.249%0.48554%0.544SS..Hα-helixtrans-62.4-33.4173.700000114T22 S24 S30T22-G26 PolarHBondContact O-N 3.31Å; T22-G26 VanDerWaalsContact O-N 3.13Å; S24-G26 VanDerWaalsContact C-N 3.35Å; S24-G26 PolarHBondContact O-N 3.11Å; G26-S30 PolarHBondContact O-OG 3.16Å
27R58.1Low65.3Low177 Ų177106.1 Ų106.167%0.66856%0.556SS**Hα-helixtrans-77.4-30.3175.1-81.7-178.9168.3161.3-6.4113.6R23 S24 R25 S30 A31R23-R27 PolarHBondContact O-N 3.28Å; S24-R27 PolarHBondContact O-N 2.88Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 3.29Å; R27-S30 PolarHBondContact O-OG 3.42Å; R27-A31 PolarHBondContact O-N 2.96Å
28A54.4Low63.1Low62 Ų62106.7 Ų106.751%0.51256%0.564SS.*Hα-helixtrans-72.3-33.8176.200000112.5S24 R25 S32S24-A28 PolarHBondContact O-N 3.28Å; S24-A28 VanDerWaalsContact O-N 3.16Å; R25-A28 PolarHBondContact O-N 3.21Å; A28-S32 PolarHBondContact O-N 3.3Å; A28-S32 PolarHBondContact O-OG 3.15Å
29A53.1Low60.9Low59 Ų59110.7 Ų110.749%0.48858%0.581SS.*Hα-helixtrans-71-33.2177.200000113.2R25 S32R25-A29 PolarHBondContact O-N 2.82Å; R25-A29 VanDerWaalsContact O-N 3.15Å; A29-S32 PolarHBondContact O-OG 2.87Å
30S51.7Low58.5Low62 Ų62113.3 Ų113.343%0.43459%0.59SS.*Hα-helixtrans-70.8-33.1175.450.30000113G26 R27 Q33 E34G26-S30 PolarHBondContact O-OG 3.16Å; R27-S30 PolarHBondContact O-OG 3.42Å; S30-Q33 PolarHBondContact O-N 2.92Å; S30-E34 PolarHBondContact O-N 2.88Å
31A52.3Low56.1Low61 Ų61114 Ų11450%0.50460%0.6SS.*Hα-helixtrans-72.8-27.4-179.400000113.4R27R27-A31 PolarHBondContact O-N 2.96Å
32S50.5Low53.8Low66 Ų66115.2 Ų115.246%0.46262%0.62SS.*Hα-helixtrans-85-17.6178.726.50000113.1A28 A29 S35A28-S32 PolarHBondContact O-N 3.3Å; A28-S32 PolarHBondContact O-OG 3.15Å; A29-S32 PolarHBondContact O-OG 2.87Å; S32-S35 PolarHBondContact O-OG 2.8Å; S32-S35 VanDerWaalsContact O-OG 3.11Å
33Q49.8Very low51.6Low153 Ų153114.7 Ų114.772%0.71563%0.631SS**Hα-helixtrans-85.6-31.4175.4-161.2172.2600112.5S30S30-Q33 PolarHBondContact O-N 2.92Å
34E49.8Very low49.2Very low152 Ų152111 Ų11171%0.7164%0.639SS**Hα-helixtrans-70.4-32.9174.6-78.5-174.9152.800113S30 N38S30-E34 PolarHBondContact O-N 2.88Å; E34-N38 PolarHBondContact O-N 3.38Å
35S49.3Very low47.2Very low72 Ų72112.3 Ų112.350%0.50366%0.661SS.*Hα-helixtrans-69.5-32.3178.652.90000113.2S32S32-S35 PolarHBondContact O-OG 2.8Å; S32-S35 VanDerWaalsContact O-OG 3.11Å
36L46.2Very low45.6Very low133 Ų133114.8 Ų114.870%0.69667%0.67SS**Hα-helixtrans-76.7-30.7179.1-71.6168.6000112.5
37H44.5Very low44.2Very low144 Ų144119.2 Ų119.267%0.66769%0.687SS**Hα-helixtrans-77.9-22.9-179.3-142.950.5000113.2
38N45.9Very low42.9Very low134 Ų134115.2 Ų115.272%0.71769%0.692SS**THydrogen-bonded Turntrans-84-15.5-178.9-145.425.7000113.3E34E34-N38 PolarHBondContact O-N 3.38Å
39E46.2Very low42.1Very low172 Ų172120 Ų12080%0.80470%0.704SS**THydrogen-bonded Turntrans-90.8-18.6-179.6-155.5163.9107.800113
40E39.5Very low41.5Very low164 Ų164123 Ų12377%0.76672%0.718SS**SBendtrans-86.3-18.9-179.8-159.5176.6154.500113.6
41L39.8Very low40.5Very low157 Ų157130.2 Ų130.282%0.82274%0.736SS**THydrogen-bonded Turntrans-91.4-6.7-175.8-136.384.4000114.8
42A38Very low40.4Very low95 Ų95131.8 Ų131.879%0.78574%0.741SS**THydrogen-bonded Turntrans-92.28.4-173.500000114.6
43G36.2Very low39.5Very low71 Ų71137 Ų13773%0.73276%0.763SS**  trans-13350.8-167.800000116.2
44A32.7Very low39Very low104 Ų104138.3 Ų138.386%0.8677%0.769SS**  trans-155.3122161.300000112.2
45G30Very low38.6Very low78 Ų78136.4 Ų136.480%0.80477%0.77SS**  trans-86.1156.1-174.800000115.9
46R30.9Very low37.7Very low247 Ų247141.5 Ų141.593%0.93279%0.786SS**  trans35.2129149.5-73.3-178.2171.3175.6-1.8119.4
47V29.8Very low37.2Very low140 Ų140143.6 Ų143.685%0.84879%0.792SS**  177.1133.5110.2154.80000111.8
48A30.8Very low37.2Very low93 Ų93141 Ų14177%0.76979%0.787SS**  trans48.2125.8151.900000123.6
49Q36.3Very low36.5Very low163 Ų163145.7 Ų145.776%0.76280%0.795SS**  trans-87.6158.1153-100.5-142.551.900110.7
50P41.1Very low35.9Very low122 Ų122142 Ų14279%0.79279%0.794SS**  -147.4131.19133.8-14000116.7
51R29.9Very low35.6Very low214 Ų214143.8 Ų143.881%0.80880%0.802SS**  50.8168.8111-125.4-160178.8156.22.2121.2
52P50.6Low35.4Very low94 Ų94140 Ų14061%0.6180%0.801SS**  -125.9167.7-81.137.3-21.4000113.2
53L32.3Very low35.8Very low176 Ų176146.4 Ų146.492%0.92181%0.805SS**  trans-150.6105.5155.3-77.7177.3000111.7
54E38.3Very low36.2Very low180 Ų180149.1 Ų149.184%0.84181%0.81SS**  trans-100.4155.5141.7-78.3-119144.600107.1
55P42.5Very low37.1Very low112 Ų112155 Ų15573%0.72781%0.81SS**  -144.7138122.427.1-7.2000116.3
56E30.5Very low37.9Very low179 Ų179163 Ų16384%0.83682%0.816SS**  83.2121.9127.3-62.6-86.2132.200121.5
57E35.5Very low38.9Very low177 Ų177162.4 Ų162.483%0.82781%0.814SS**  trans-72.7-161.1162.7-49.9-160.9134.700112.2
58P45.3Very low40Very low88 Ų88164.8 Ų164.857%0.57181%0.807SS**  cis-134.5164.5-18.132.7-13.1000114.4
59R29.7Very low41.3Very low234 Ų234166.1 Ų166.188%0.88380%0.801SS**  167.8128.6127.2-92.6177.3178.3100.1-1.6114.1
60A34Very low42.4Very low93 Ų93165.1 Ų165.177%0.76980%0.8SS**  trans2.4129.2157.400000121.3
61E34.3Very low43.5Very low202 Ų202161.8 Ų161.894%0.94479%0.789SS**  -175.6143.1111.6-100.4173.9-175.900112.4
62G33.8Very low45.2Very low78 Ų78155.3 Ų155.380%0.80478%0.776SS**  trans107.581.7157.200000118.9
63R46.4Very low46Very low230 Ų230158.3 Ų158.387%0.86878%0.775SS**  trans-74.7154.2153.8-75.3-171.9-170.2-156.84109.5
64P45.8Very low47.7Very low128 Ų128154.6 Ų154.683%0.83176%0.756SS**  -132.3149.8109.126.4-10.3000114.1
65R50.5Low49.3Very low226 Ų226151.5 Ų151.585%0.85374%0.741SS**  trans-56.8130.5-176.8-67.7163.7167.5138-3.4111.1R67R65-R67 PolarHBondContact O-N 3.02Å
66R47.4Very low50.7Low247 Ų247148.9 Ų148.993%0.93273%0.729SS**  trans-54.6136.3169-80.6-168.6176.9-1610.9110.2R68R66-R68 PolarHBondContact O-N 3.47Å
67R51.4Low52.7Low235 Ų235145.9 Ų145.989%0.88772%0.715SS**  trans-42.7127.5177.7-126.8170.9175.2-1402.3111.2R65 D69R65-R67 PolarHBondContact O-N 3.02Å; R67-D69 PolarHBondContact O-N 2.95Å
68R53.9Low54.4Low190 Ų190145.6 Ų145.672%0.71771%0.706SS**  trans-69.4113.4175.7-172.9169.6177.9158.6-0.1108.6R66 L70R66-R68 PolarHBondContact O-N 3.47Å; R68-L70 PolarHBondContact O-N 3.46Å; R68-L70 VanDerWaalsContact O-N 3.09Å
69D57.1Low55.7Low120 Ų120149.6 Ų149.664%0.64271%0.71SS**  trans-63.6108179.8-63-51.8000111R67 G71 S72R67-D69 PolarHBondContact O-N 2.95Å; D69-G71 PolarHBondContact O-N 3.17Å; D69-S72 PolarHBondContact O-N 2.84Å
70L60.3Low57.7Low142 Ų142141.2 Ų141.274%0.74369%0.691SS**Hα-helixtrans-60.8-27.4174-80.4154.3000112R68 R73 L74R68-L70 PolarHBondContact O-N 3.46Å; R68-L70 VanDerWaalsContact O-N 3.09Å; L70-R73 PolarHBondContact O-N 3.16Å; L70-L74 PolarHBondContact O-N 2.9Å
71G63.3Low59.3Low53 Ų53142.4 Ų142.455%0.54668%0.681SS.*Hα-helixtrans-65.5-42.7176.400000113.6D69 R73 L74 Q75D69-G71 PolarHBondContact O-N 3.17Å; G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.46Å; G71-L74 PolarHBondContact O-N 3.48Å; G71-Q75 PolarHBondContact O-N 3.44Å
72S67.4Low60.7Low77 Ų77142.2 Ų142.254%0.53867%0.671SS.*Hα-helixtrans-65.6-29.7177.6-75.90000112.7D69 A76D69-S72 PolarHBondContact O-N 2.84Å; S72-A76 VanDerWaalsContact O-CB 3.31Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 2.88Å; S72-A76 VanDerWaalsContact O-N 3.07Å
73R65.5Low61.9Low157 Ų157142.3 Ų142.359%0.59266%0.656SS**Hα-helixtrans-75-38.4179-151.8175.3-178.7167.6-1.7112.2L70 G71 Q77L70-R73 PolarHBondContact O-N 3.16Å; G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.46Å; R73-Q77 WeakPolarHBondContact O-CB 3.27Å; R73-Q77 PolarHBondContact O-N 2.82Å
74L68.1Low62.4Low98 Ų98135.8 Ų135.851%0.51364%0.642SS.*Hα-helixtrans-69.4-37.6175.4-107.4146.7000112.3L70 G71 Q77 R78L70-L74 PolarHBondContact O-N 2.9Å; G71-L74 PolarHBondContact O-N 3.48Å; L74-Q77 PolarHBondContact O-N 2.85Å; L74-R78 PolarHBondContact O-N 3.34Å
75Q72.1Confident62.7Low116 Ų116135.9 Ų135.954%0.54263%0.634SS.*Hα-helixtrans-71.3-37.2176.7-162.3173.142.400112.1G71 R79G71-Q75 PolarHBondContact O-N 3.44Å; Q75-R79 WeakPolarHBondContact O-CG 3.36Å; Q75-R79 PolarHBondContact O-N 3.02Å
76A72.4Confident62.5Low57 Ų57128.1 Ų128.147%0.47162%0.619SS.*Hα-helixtrans-65.2-39.1171.800000112.2S72 R79 A80S72-A76 VanDerWaalsContact O-CB 3.31Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 2.88Å; S72-A76 VanDerWaalsContact O-N 3.07Å; A76-R79 PolarHBondContact O-N 2.92Å; A76-A80 PolarHBondContact O-N 3.42Å
77Q73.4Confident62.5Low116 Ų116123.2 Ų123.254%0.54261%0.606SS.*Hα-helixtrans-67.9-38.5177.1-167.3175.11300112.5R73 L74 A80 Q81R73-Q77 WeakPolarHBondContact O-CB 3.27Å; R73-Q77 PolarHBondContact O-N 2.82Å; L74-Q77 PolarHBondContact O-N 2.85Å; Q77-A80 PolarHBondContact O-N 2.95Å; Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.31Å
78R71.5Confident62.3Low170 Ų170114.5 Ų114.564%0.64259%0.585SS**Hα-helixtrans-68.3-34.7173.5-77.2-173.1-169.6-157.62.3113.1L74 R82L74-R78 PolarHBondContact O-N 3.34Å; R78-R82 WeakPolarHBondContact O-CG 3.3Å; R78-R82 PolarHBondContact O-N 2.58Å; R78-R82 VanDerWaalsContact O-N 3.1Å
79R72.4Confident61.9Low173 Ų173110.4 Ų110.465%0.65358%0.577SS**Hα-helixtrans-67.8-42.5173.7-79.1-178.3175.4163.5-0.7111.5Q75 A76 Q81 R82 V83Q75-R79 WeakPolarHBondContact O-CG 3.36Å; Q75-R79 PolarHBondContact O-N 3.02Å; A76-R79 PolarHBondContact O-N 2.92Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; R79-Q81 PolarHBondContact O-N 2.87Å; R79-R82 PolarHBondContact O-N 2.96Å; R79-V83 WeakPolarHBondContact O-CG2 3.36Å; R79-V83 PolarHBondContact O-N 3.16Å
80A71Confident61.2Low58 Ų58113.1 Ų113.148%0.47959%0.586SS.*Hα-helixtrans-61.5-41174.700000112.2A76 Q77 R82 V83 T84A76-A80 PolarHBondContact O-N 3.42Å; Q77-A80 PolarHBondContact O-N 2.95Å; A80-R82 VanDerWaalsContact C-N 3.34Å; A80-R82 PolarHBondContact O-N 2.95Å; A80-V83 PolarHBondContact O-N 3.49Å; A80-T84 WeakPolarHBondContact O-CG2 3.37Å; A80-T84 PolarHBondContact O-N 3.4Å; A80-T84 VanDerWaalsContact O-N 3.08Å; A80-T84 PolarHBondContact O-OG1 3.45Å
81Q68.2Low60.4Low118 Ų118113.6 Ų113.655%0.55159%0.59SS**Hα-helixtrans-67.9-29.8176-75.2-179.3400113.9Q77 R79 T84 L85Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.31Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; R79-Q81 PolarHBondContact O-N 2.87Å; Q81-T84 WeakPolarHBondContact CA-OG1 3.42Å; Q81-T84 PolarHBondContact O-OG1 2.96Å; Q81-L85 WeakPolarHBondContact O-CB 3.01Å; Q81-L85 PolarHBondContact O-N 3.5Å
82R62Low59.5Low198 Ų198118.1 Ų118.175%0.74760%0.596SS**Hα-helixtrans-74.4-34.6174.8-80.5-177.2170.4-179.1-4.1112.6R78 R79 A80 L85 A86R78-R82 WeakPolarHBondContact O-CG 3.3Å; R78-R82 PolarHBondContact O-N 2.58Å; R78-R82 VanDerWaalsContact O-N 3.1Å; R79-R82 PolarHBondContact O-N 2.96Å; A80-R82 VanDerWaalsContact C-N 3.34Å; A80-R82 PolarHBondContact O-N 2.95Å; R82-L85 PolarHBondContact O-N 3.32Å; R82-A86 WeakPolarHBondContact O-CB 3.41Å; R82-A86 PolarHBondContact O-N 2.91Å; R82-A86 VanDerWaalsContact O-N 3.08Å
83V60.7Low58.2Low79 Ų79121.9 Ų121.948%0.47961%0.605SS.*Hα-helixtrans-70-40.5175.2174.80000110.7R79 A80 L85 A86 E87R79-V83 WeakPolarHBondContact O-CG2 3.36Å; R79-V83 PolarHBondContact O-N 3.16Å; A80-V83 PolarHBondContact O-N 3.49Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 3.03Å; V83-A86 PolarHBondContact O-N 3.45Å; V83-E87 PolarHBondContact O-N 3.19Å; V83-E87 VanDerWaalsContact O-N 3.09Å
84T56Low57Low94 Ų94123.9 Ų123.958%0.57762%0.621SS**Hα-helixtrans-68.3-23.2175.455.70000114.1A80 Q81A80-T84 WeakPolarHBondContact O-CG2 3.37Å; A80-T84 PolarHBondContact O-N 3.4Å; A80-T84 VanDerWaalsContact O-N 3.08Å; A80-T84 PolarHBondContact O-OG1 3.45Å; Q81-T84 WeakPolarHBondContact CA-OG1 3.42Å; Q81-T84 PolarHBondContact O-OG1 2.96Å
85L51.3Low55.5Low129 Ų129123.5 Ų123.568%0.67563%0.633SS**Hα-helixtrans-84.1-31.8175.9-168.668.8000111.6Q81 R82 V83Q81-L85 WeakPolarHBondContact O-CB 3.01Å; Q81-L85 PolarHBondContact O-N 3.5Å; R82-L85 PolarHBondContact O-N 3.32Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 3.03Å
86A48.1Very low53.8Low64 Ų64123.9 Ų123.953%0.52964%0.642SS.*Hα-helixtrans-76-29.6176.800000113.1R82 V83 A88R82-A86 WeakPolarHBondContact O-CB 3.41Å; R82-A86 PolarHBondContact O-N 2.91Å; R82-A86 VanDerWaalsContact O-N 3.08Å; V83-A86 PolarHBondContact O-N 3.45Å; A86-A88 VanDerWaalsContact C-N 3.33Å
87E47.1Very low52.2Low143 Ų143128.6 Ų128.667%0.66866%0.658SS**SBendtrans-80.8-9.7176-69.8177.317300113.7V83V83-E87 PolarHBondContact O-N 3.19Å; V83-E87 VanDerWaalsContact O-N 3.09Å
88A46.7Very low50.4Low53 Ų53131.5 Ų131.544%0.43868%0.676SS.*SBendtrans-90.4-17.3175.600000113.3A86A86-A88 VanDerWaalsContact C-N 3.33Å
89D44.9Very low48.6Very low104 Ų104128.4 Ų128.456%0.55669%0.687SS**THydrogen-bonded Turntrans-89.1-8.8-173-146.711.4000113.3
90E43.6Very low46.8Very low176 Ų176129 Ų12982%0.82270%0.698SS**THydrogen-bonded Turntrans-90.9-4.3176-68-169.5166.600113.9
91N43.8Very low45.2Very low153 Ų153135 Ų13582%0.81872%0.715SS**SBendtrans-115.33.5-176.2-105.4-17.2000115.4
92E43.7Very low43.7Very low148 Ų148138.7 Ų138.769%0.69273%0.733SS**SBendtrans-111.53.8-176.9-68.6-164.4168.300114.8
93Q40.8Very low42.1Very low155 Ų155138.4 Ų138.472%0.72474%0.74SS**THydrogen-bonded Turntrans-94.54.3-176.8-77.8158.429.200115.2
94E39.8Very low40.8Very low199 Ų199139.9 Ų139.993%0.9375%0.745SS**THydrogen-bonded Turntrans-119.416.2179.7-141.7172.9-166.600114.7
95A36.5Very low39.9Very low91 Ų91142.6 Ų142.675%0.75276%0.762SS**SBendtrans-123.919179.500000114.6
96V37Very low39.2Very low123 Ų123143.8 Ų143.875%0.74576%0.763SS**SBendtrans-106.68.1-172.1-1790000113.7
97I38.6Very low38.5Very low157 Ų157150.1 Ų150.181%0.80578%0.779SS**SBendtrans-133.2119.6175.1-50.1177000108.2
98L35.5Very low37.6Very low176 Ų176147.6 Ų147.692%0.92178%0.777SS**SBendtrans95.153.4-175.1-55.4160.8000116.3
99A32.8Very low36.9Very low105 Ų105148.6 Ų148.687%0.86879%0.786SS**  trans-152.751.514900000109.4
100Q34Very low36.4Very low186 Ų186153.1 Ų153.187%0.86980%0.804SS**  trans-118.766.6168.5-169.4173.9-12.100107.6
101E37.4Very low36.1Very low183 Ų183150 Ų15086%0.85580%0.797SS**SBendtrans-170.5128.5155.1-106.6164.1-168.200105.3
102E37.3Very low35.9Very low197 Ų197151.5 Ų151.592%0.92180%0.798SS**  trans86.177.1179.1-45.2-146.1162.200116.7
103E29.6Very low35.9Very low191 Ų191151.4 Ų151.489%0.89380%0.802SS**  trans-127.892140.4-147.5178.5-171.900109.7
104D32.3Very low36Very low110 Ų110150.6 Ų150.659%0.58881%0.813SS**  74.462.1123.4-148.613.3000117.9E106D104-E106 PolarHBondContact O-N 3.17Å; D104-E106 VanDerWaalsContact O-N 3.13Å; D104-E106 WeakPolarHBondContact OD1-CA 3.44Å; D104-E106 PolarHBondContact OD1-N 2.94Å; D104-E106 VanDerWaalsContact OD1-N 3.09Å
105V38Very low36.5Very low152 Ų152143.4 Ų143.492%0.92179%0.793SS**SBendtrans-72.762.9141.2-176.80000108.3
106E36.6Very low37.6Very low153 Ų153149.6 Ų149.672%0.71580%0.802SS**  trans-165.853.3165.5-121175.6-165.100115.5D104 S108D104-E106 PolarHBondContact O-N 3.17Å; D104-E106 VanDerWaalsContact O-N 3.13Å; D104-E106 WeakPolarHBondContact OD1-CA 3.44Å; D104-E106 PolarHBondContact OD1-N 2.94Å; D104-E106 VanDerWaalsContact OD1-N 3.09Å; E106-S108 PolarHBondContact O-N 2.94Å; E106-S108 PolarHBondContact O-OG 3.4Å
107K33.3Very low38.5Very low197 Ų197147.7 Ų147.786%0.85779%0.787SS**  trans-82.963.7152.2-139.5168-160.9146.40112.7
108S28.3Very low39.9Very low90 Ų90142.5 Ų142.563%0.62977%0.772SS**  25.6122.6125310000118E106E106-S108 PolarHBondContact O-N 2.94Å; E106-S108 PolarHBondContact O-OG 3.4Å
109A32.1Very low41.7Very low75 Ų75138.1 Ų138.162%0.6276%0.761SS**  trans85.273.3147.400000116.7T111A109-T111 HydrophobicContact CB-CG2 4.05Å; A109-T111 PolarHBondContact O-N 3.06Å
110E34Very low43.7Very low199 Ų199142.2 Ų142.293%0.9376%0.76SS**  trans-59.483.2138.8-77.5-170.1158.500108.2H112E110-H112 PolarHBondContact O-N 3.07Å
111T35.9Very low45.6Very low110 Ų110140.8 Ų140.868%0.67575%0.751SS**  trans-68.4112.2173.1330000108A109 L113A109-T111 HydrophobicContact CB-CG2 4.05Å; A109-T111 PolarHBondContact O-N 3.06Å; T111-L113 PolarHBondContact O-N 2.74Å
112H40.3Very low47.5Very low184 Ų184135.8 Ų135.885%0.85273%0.729SS**  trans-45.3105.5151-74.6-87.4000109.7E110E110-H112 PolarHBondContact O-N 3.07Å
113L42.8Very low49.4Very low146 Ų146135.3 Ų135.376%0.76472%0.719SS**  trans-142.766.1153.7-68.9-179.8000108.8T111 G115T111-L113 PolarHBondContact O-N 2.74Å; L113-G115 PolarHBondContact O-N 3.15Å
114S43.3Very low51.9Low139 Ų139133.6 Ų133.697%0.97271%0.709SS**  trans-66.477153.2167.70000108.5
115G50.2Low54.2Low48 Ų48132.9 Ų132.950%0.49570%0.704SS.*SBendtrans-138.6126.2167.500000106.6L113 I117L113-G115 PolarHBondContact O-N 3.15Å; G115-I117 WeakPolarHBondContact O-CG1 3.33Å; G115-I117 PolarHBondContact O-N 3.43Å
116K59.5Low56.3Low220 Ų220131.3 Ų131.396%0.95769%0.687SS**  trans-36.2101.6179.9-103.9153.2175.4169.60111.2G118K116-G118 PolarHBondContact O-N 2.93Å; K116-G118 VanDerWaalsContact O-N 3.14Å
117I56.6Low58.7Low84 Ų84130.3 Ų130.343%0.43168%0.682SS.*  trans-69.4113.5-179.5-59.9177.3000106.1G115 A119 K121 L122G115-I117 WeakPolarHBondContact O-CG1 3.33Å; G115-I117 PolarHBondContact O-N 3.43Å; I117-A119 PolarHBondContact O-N 3.26Å; I117-K121 HydrophobicContact CG2-CB 3.45Å; I117-K121 VanDerWaalsContact CG2-CB 3.45Å; I117-K121 HydrophobicContact CG2-CD 4.47Å; I117-L122 HydrophobicContact CB-CD2 4.29Å; I117-L122 HydrophobicContact CB-CG 4.19Å; I117-L122 HydrophobicContact CD1-CD2 4.29Å; I117-L122 HydrophobicContact CG2-CD2 4.03Å; I117-L122 HydrophobicContact CG2-CG 3.78Å
118G68.1Low61.2Low47 Ų47128.4 Ų128.449%0.48567%0.674SS.*  trans-56.9140.9176.500000110.6K116 K120 K121K116-G118 PolarHBondContact O-N 2.93Å; K116-G118 VanDerWaalsContact O-N 3.14Å; G118-K120 PolarHBondContact O-N 2.95Å; G118-K121 PolarHBondContact O-N 2.82Å
119A73.1Confident63.9Low84 Ų84130.6 Ų130.669%0.69467%0.674SS**Hα-helixtrans-46-28.2-172.900000115.4I117 R123I117-A119 PolarHBondContact O-N 3.26Å; A119-R123 PolarHBondContact O-N 2.93Å
120K74.6Confident66.4Low192 Ų192129.4 Ų129.484%0.83567%0.665SS**Hα-helixtrans-69-29.5177.4-65.6-176.9178.4-179.60114.4G118 K124G118-K120 PolarHBondContact O-N 2.95Å; K120-K124 PolarHBondContact O-N 3Å
121K74.9Confident68.9Low156 Ų156127.3 Ų127.368%0.67865%0.648SS**Hα-helixtrans-83.3-34.7-179.5-75.3-175.9179.5-177.30112.3I117 G118 K124 L125I117-K121 HydrophobicContact CG2-CB 3.45Å; I117-K121 VanDerWaalsContact CG2-CB 3.45Å; I117-K121 HydrophobicContact CG2-CD 4.47Å; G118-K121 PolarHBondContact O-N 2.82Å; K121-K124 PolarHBondContact O-N 3.38Å; K121-L125 WeakPolarHBondContact O-CG 3.48Å; K121-L125 PolarHBondContact O-N 3.38Å; K121-L125 VanDerWaalsContact O-N 3.09Å
122L75.7Confident71.4Confident78 Ų78129.2 Ų129.241%0.40865%0.647SS.*Hα-helixtrans-61.7-48.4172.5-70.4172.7000111I117 K124 L125 E126I117-L122 HydrophobicContact CB-CD2 4.29Å; I117-L122 HydrophobicContact CB-CG 4.19Å; I117-L122 HydrophobicContact CD1-CD2 4.29Å; I117-L122 HydrophobicContact CG2-CD2 4.03Å; I117-L122 HydrophobicContact CG2-CG 3.78Å; L122-K124 VanDerWaalsContact C-N 3.25Å; L122-K124 PolarHBondContact O-N 3.46Å; L122-L125 PolarHBondContact O-N 3.2Å; L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.97Å
123R78.5Confident73.8Confident187 Ų187123 Ų12371%0.70663%0.628SS**Hα-helixtrans-58.1-35176.2-169.4176.7176.5-178.4-0.4113.2A119 E127A119-R123 PolarHBondContact O-N 2.93Å; R123-E127 VanDerWaalsContact O-CB 3.24Å; R123-E127 WeakPolarHBondContact O-CB 3.23Å; R123-E127 PolarHBondContact O-N 2.91Å
124K82.3Confident75.9Confident155 Ų155122.7 Ų122.767%0.67462%0.622SS**Hα-helixtrans-73.7-32.3177.1-170.6173.4-177.2177.10112.8K120 K121 L122 K128K120-K124 PolarHBondContact O-N 3Å; K121-K124 PolarHBondContact O-N 3.38Å; L122-K124 VanDerWaalsContact C-N 3.25Å; L122-K124 PolarHBondContact O-N 3.46Å; K124-K128 WeakPolarHBondContact O-CB 3.34Å; K124-K128 PolarHBondContact O-N 3.35Å
125L79.8Confident77.9Confident95 Ų95122.5 Ų122.550%0.49760%0.601SS.*Hα-helixtrans-72.2-43.4174-71.8175000110.8K121 L122 K128 Q129K121-L125 WeakPolarHBondContact O-CG 3.48Å; K121-L125 PolarHBondContact O-N 3.38Å; K121-L125 VanDerWaalsContact O-N 3.09Å; L122-L125 PolarHBondContact O-N 3.2Å; L125-K128 PolarHBondContact O-N 3.22Å; L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 WeakPolarHBondContact O-CG 3.49Å; L125-Q129 PolarHBondContact O-N 3.48Å
126E82.8Confident79.8Confident118 Ų118126.2 Ų126.255%0.55161%0.605SS**Hα-helixtrans-60.5-44.7173-71.6170.3-175.700111.3L122 K128 Q129 A130L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.97Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 2.97Å; E126-Q129 PolarHBondContact O-N 3.38Å; E126-A130 WeakPolarHBondContact O-CB 3.39Å; E126-A130 PolarHBondContact O-N 3.06Å
127E85.8Confident81.2Confident133 Ų133118.8 Ų118.862%0.62158%0.584SS**Hα-helixtrans-63.1-37.5175.5-173.8178.7176.100112.2R123 R131R123-E127 VanDerWaalsContact O-CB 3.24Å; R123-E127 WeakPolarHBondContact O-CB 3.23Å; R123-E127 PolarHBondContact O-N 2.91Å; E127-R131 VanDerWaalsContact O-CB 3.24Å; E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 PolarHBondContact O-N 3.46Å
128K85.5Confident82.7Confident156 Ų156119.2 Ų119.268%0.67859%0.585SS**Hα-helixtrans-70-36.5175.7-170.4175.4-179.8-176.30112K124 L125 E126 K132K124-K128 WeakPolarHBondContact O-CB 3.34Å; K124-K128 PolarHBondContact O-N 3.35Å; L125-K128 PolarHBondContact O-N 3.22Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 2.97Å; K128-K132 WeakPolarHBondContact O-CB 3.25Å; K128-K132 PolarHBondContact O-N 2.96Å
129Q85Confident83.6Confident136 Ų136122.1 Ų122.164%0.63659%0.585SS**Hα-helixtrans-69.2-44.8174.7-74.8176.5-12.300111.3L125 E126 R131 K132 A133L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 WeakPolarHBondContact O-CG 3.49Å; L125-Q129 PolarHBondContact O-N 3.48Å; E126-Q129 PolarHBondContact O-N 3.38Å; Q129-R131 VanDerWaalsContact C-N 3.32Å; Q129-R131 PolarHBondContact O-N 3.5Å; Q129-K132 PolarHBondContact O-N 3Å; Q129-K132 VanDerWaalsContact O-N 3.13Å; Q129-A133 WeakPolarHBondContact O-CB 3.31Å; Q129-A133 PolarHBondContact O-N 3.37Å
130A85.9Confident84.4Confident51 Ų51120.3 Ų120.342%0.42157%0.571SS.*Hα-helixtrans-61-41.3174.400000111.6E126 K132 A133 Q134E126-A130 WeakPolarHBondContact O-CB 3.39Å; E126-A130 PolarHBondContact O-N 3.06Å; A130-K132 VanDerWaalsContact C-N 3.33Å; A130-K132 PolarHBondContact O-N 2.97Å; A130-A133 PolarHBondContact O-N 3.44Å; A130-Q134 WeakPolarHBondContact O-CB 3.43Å; A130-Q134 VanDerWaalsContact O-CG 3.32Å; A130-Q134 WeakPolarHBondContact O-CG 3.02Å; A130-Q134 PolarHBondContact O-N 2.82Å
131R86.8Confident85Confident154 Ų154117.7 Ų117.758%0.58156%0.561SS**Hα-helixtrans-67.2-31.5175.1-170.1174.8-175.4-173.81.4113.1E127 Q129 R135E127-R131 VanDerWaalsContact O-CB 3.24Å; E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 PolarHBondContact O-N 3.46Å; Q129-R131 VanDerWaalsContact C-N 3.32Å; Q129-R131 PolarHBondContact O-N 3.5Å; R131-R135 WeakPolarHBondContact O-CG 3.23Å; R131-R135 PolarHBondContact O-N 3.41Å
132K88.8Confident85.7Confident150 Ų150116 Ų11665%0.65255%0.551SS**Hα-helixtrans-71.7-45.5173.6-171-179176.8-171.20110.8K128 Q129 A130 Q134 R135 E136K128-K132 WeakPolarHBondContact O-CB 3.25Å; K128-K132 PolarHBondContact O-N 2.96Å; Q129-K132 PolarHBondContact O-N 3Å; Q129-K132 VanDerWaalsContact O-N 3.13Å; A130-K132 VanDerWaalsContact C-N 3.33Å; A130-K132 PolarHBondContact O-N 2.97Å; K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.4Å; K132-R135 PolarHBondContact O-N 3.01Å; K132-R135 VanDerWaalsContact O-N 3.16Å; K132-E136 PolarHBondContact O-N 2.96Å
133A89Confident86.4Confident55 Ų55117.6 Ų117.646%0.45556%0.556SS.*Hα-helixtrans-61.8-37.5176.700000112.4Q129 A130 E136 A137Q129-A133 WeakPolarHBondContact O-CB 3.31Å; Q129-A133 PolarHBondContact O-N 3.37Å; A130-A133 PolarHBondContact O-N 3.44Å; A133-E136 PolarHBondContact O-N 2.9Å; A133-A137 WeakPolarHBondContact O-CB 3.46Å; A133-A137 PolarHBondContact O-N 3.21Å
134Q86.8Confident86.9Confident138 Ų138115.3 Ų115.365%0.64555%0.553SS**Hα-helixtrans-63.6-40174-78.6177.5-600112.8A130 K132 E138A130-Q134 WeakPolarHBondContact O-CB 3.43Å; A130-Q134 VanDerWaalsContact O-CG 3.32Å; A130-Q134 WeakPolarHBondContact O-CG 3.02Å; A130-Q134 PolarHBondContact O-N 2.82Å; K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.4Å; Q134-E138 WeakPolarHBondContact O-CB 3.44Å; Q134-E138 PolarHBondContact O-N 3.32Å
135R86.8Confident87.2Confident136 Ų136115.8 Ų115.851%0.51355%0.551SS.*Hα-helixtrans-69.1-41.2177.5-72.6174.3178.9-176.5-4.6112R131 K132 E138 E139R131-R135 WeakPolarHBondContact O-CG 3.23Å; R131-R135 PolarHBondContact O-N 3.41Å; K132-R135 PolarHBondContact O-N 3.01Å; K132-R135 VanDerWaalsContact O-N 3.16Å; R135-E138 PolarHBondContact O-N 3.47Å; R135-E139 WeakPolarHBondContact O-CB 3.14Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.02Å
136E88.9Confident87.9Confident126 Ų126118.1 Ų118.159%0.58956%0.557SS**Hα-helixtrans-65.6-41.9177.7-173.3174.7173.900111.7K132 A133 E139 A140K132-E136 PolarHBondContact O-N 2.96Å; A133-E136 PolarHBondContact O-N 2.9Å; E136-E139 PolarHBondContact O-N 3.46Å; E136-A140 WeakPolarHBondContact O-CB 3.19Å; E136-A140 PolarHBondContact O-N 2.96Å
137A89.4Confident88.4Confident63 Ų63120.1 Ų120.152%0.52156%0.559SS.*Hα-helixtrans-63.9-40.8173.600000112.2A133 E141A133-A137 WeakPolarHBondContact O-CB 3.46Å; A133-A137 PolarHBondContact O-N 3.21Å; A137-E141 WeakPolarHBondContact O-CB 3.19Å; A137-E141 PolarHBondContact O-N 3.3Å
138E87.6Confident88.7Confident93 Ų93117.7 Ų117.744%0.43555%0.55SS.*Hα-helixtrans-68.4-36.9177-169.9-176.6-179.600112.2Q134 R135 R142Q134-E138 WeakPolarHBondContact O-CB 3.44Å; Q134-E138 PolarHBondContact O-N 3.32Å; R135-E138 PolarHBondContact O-N 3.47Å; E138-R142 VanDerWaalsContact O-CG 3.29Å; E138-R142 WeakPolarHBondContact O-CG 3.29Å; E138-R142 PolarHBondContact O-N 2.91Å; E138-R142 IonicContact OE1-CZ 3.51Å; E138-R142 IonicContact OE1-NE 3.85Å; E138-R142 IonicContact OE1-NH2 2.64Å; E138-R142 PolarHBondContact OE1-NH2 3.26Å; E138-R142 IonicContact OE2-NH2 3.51Å
139E86.6Confident88.9Confident108 Ų108113.9 Ų113.951%0.50554%0.535SS..Hα-helixtrans-68.4-42.7174.8-76.4169.4-170.800111.7R135 E136 R142 E143R135-E139 WeakPolarHBondContact O-CB 3.14Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.02Å; E136-E139 PolarHBondContact O-N 3.46Å; E139-R142 PolarHBondContact O-N 3.07Å; E139-E143 WeakPolarHBondContact O-CG 3.26Å; E139-E143 PolarHBondContact O-N 3.32Å
140A90.6Very high89.3Confident46 Ų46110.5 Ų110.538%0.3853%0.527SS..Hα-helixtrans-61.1-43.9173.300000111.8E136 R142 E143 E144E136-A140 WeakPolarHBondContact O-CB 3.19Å; E136-A140 PolarHBondContact O-N 2.96Å; A140-R142 VanDerWaalsContact C-N 3.33Å; A140-R142 PolarHBondContact O-N 3.34Å; A140-E143 PolarHBondContact O-N 2.97Å; A140-E144 WeakPolarHBondContact O-CB 3.48Å; A140-E144 WeakPolarHBondContact O-CG 3.34Å; A140-E144 PolarHBondContact O-N 2.9Å
141E88.2Confident89.6Confident137 Ų137113.6 Ų113.664%0.6453%0.532SS*.Hα-helixtrans-62.7-39.6176.1-171.6-175.5165.800111.7A137 R145A137-E141 WeakPolarHBondContact O-CB 3.19Å; A137-E141 PolarHBondContact O-N 3.3Å; E141-R145 WeakPolarHBondContact O-CB 3.24Å; E141-R145 PolarHBondContact O-N 3.32Å
142R88.3Confident89.9Confident122 Ų122113.7 Ų113.746%0.4653%0.532SS..Hα-helixtrans-65.6-38.7174.6-74-176.8-155.6134.9-4.5112.2E138 E139 A140 K146E138-R142 VanDerWaalsContact O-CG 3.29Å; E138-R142 WeakPolarHBondContact O-CG 3.29Å; E138-R142 PolarHBondContact O-N 2.91Å; E138-R142 IonicContact OE1-CZ 3.51Å; E138-R142 IonicContact OE1-NE 3.85Å; E138-R142 IonicContact OE1-NH2 2.64Å; E138-R142 PolarHBondContact OE1-NH2 3.26Å; E138-R142 IonicContact OE2-NH2 3.51Å; E139-R142 PolarHBondContact O-N 3.07Å; A140-R142 VanDerWaalsContact C-N 3.33Å; A140-R142 PolarHBondContact O-N 3.34Å; R142-K146 WeakPolarHBondContact O-CB 3.46Å; R142-K146 VanDerWaalsContact O-CG 3.25Å; R142-K146 WeakPolarHBondContact O-CG 3.43Å; R142-K146 PolarHBondContact O-N 3.5Å
143E90.4Very high90Very high111 Ų111112 Ų11252%0.51953%0.527SS..Hα-helixtrans-69.7-43.6177-74.3-173.2-175.100112.3E139 A140 R145 K146 R147E139-E143 WeakPolarHBondContact O-CG 3.26Å; E139-E143 PolarHBondContact O-N 3.32Å; A140-E143 PolarHBondContact O-N 2.97Å; E143-R145 VanDerWaalsContact C-N 3.33Å; E143-R145 PolarHBondContact O-N 2.88Å; E143-K146 PolarHBondContact O-N 2.89Å; E143-R147 WeakPolarHBondContact O-CG 3.41Å; E143-R147 PolarHBondContact O-N 2.98Å
144E89.2Confident90.2Very high139 Ų139111.5 Ų111.565%0.6552%0.523SS*.Hα-helixtrans-61.8-42.7175.1-74.5-171.7169.200111.4A140 K146 R147 L148A140-E144 WeakPolarHBondContact O-CB 3.48Å; A140-E144 WeakPolarHBondContact O-CG 3.34Å; A140-E144 PolarHBondContact O-N 2.9Å; E144-K146 PolarHBondContact O-N 3.45Å; E144-R147 PolarHBondContact O-N 3.07Å; E144-L148 WeakPolarHBondContact O-CB 3.37Å; E144-L148 PolarHBondContact O-N 3.23Å
145R90.1Very high90.5Very high164 Ų164111.2 Ų111.262%0.61952%0.522SS*.Hα-helixtrans-61.1-45.5174.9-177.5175.2172179.90.1111.9E141 E143 R147 L148 E149E141-R145 WeakPolarHBondContact O-CB 3.24Å; E141-R145 PolarHBondContact O-N 3.32Å; E143-R145 VanDerWaalsContact C-N 3.33Å; E143-R145 PolarHBondContact O-N 2.88Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.47Å; R145-L148 PolarHBondContact O-N 3.2Å; R145-E149 HydrophobicContact CG-CG 4.44Å; R145-E149 WeakPolarHBondContact CG-OE1 3.38Å; R145-E149 IonicContact CZ-OE1 3.71Å; R145-E149 IonicContact NE-OE1 3.4Å; R145-E149 PolarHBondContact NE-OE1 2.78Å; R145-E149 IonicContact NH2-OE1 3.34Å; R145-E149 PolarHBondContact NH2-OE1 2.85Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 WeakPolarHBondContact O-CG 3.5Å; R145-E149 PolarHBondContact O-N 3.01Å
146K93.2Very high90.6Very high144 Ų144113.1 Ų113.163%0.62653%0.529SS*.Hα-helixtrans-62-40.2175.8-76.5173.7-179.4-178.20112R142 E143 E144 E149 S150R142-K146 WeakPolarHBondContact O-CB 3.46Å; R142-K146 VanDerWaalsContact O-CG 3.25Å; R142-K146 WeakPolarHBondContact O-CG 3.43Å; R142-K146 PolarHBondContact O-N 3.5Å; E143-K146 PolarHBondContact O-N 2.89Å; E144-K146 PolarHBondContact O-N 3.45Å; K146-E149 PolarHBondContact O-N 3.27Å; K146-S150 WeakPolarHBondContact O-CB 3.5Å; K146-S150 PolarHBondContact O-N 3.1Å; K146-S150 PolarHBondContact O-OG 2.93Å
147R93.4Very high90.9Very high160 Ų160112.9 Ų112.960%0.60453%0.526SS*.Hα-helixtrans-63.4-46.3176.1-74.8-179.6-177175.85.7111.2E143 E144 R145 S150 Q151E143-R147 WeakPolarHBondContact O-CG 3.41Å; E143-R147 PolarHBondContact O-N 2.98Å; E144-R147 PolarHBondContact O-N 3.07Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.47Å; R147-S150 PolarHBondContact O-N 3.44Å; R147-S150 PolarHBondContact O-OG 3.11Å; R147-Q151 WeakPolarHBondContact O-CG 3.46Å; R147-Q151 PolarHBondContact O-N 3.24Å
148L91.4Very high91.2Very high82 Ų82116.6 Ų116.643%0.42953%0.53SS..Hα-helixtrans-64.3-42.2178-17269.6000112.2E144 R145 Q151 R152E144-L148 WeakPolarHBondContact O-CB 3.37Å; E144-L148 PolarHBondContact O-N 3.23Å; R145-L148 PolarHBondContact O-N 3.2Å; L148-Q151 PolarHBondContact O-N 2.94Å; L148-R152 WeakPolarHBondContact O-CG 3.49Å; L148-R152 PolarHBondContact O-N 2.82Å
149E90.3Very high91.3Very high77 Ų77117.8 Ų117.836%0.3654%0.536SS..Hα-helixtrans-61.8-44.5174.9-74.8172.4-178.300110.9R145 K146 Q151 R152 E153R145-E149 HydrophobicContact CG-CG 4.44Å; R145-E149 WeakPolarHBondContact CG-OE1 3.38Å; R145-E149 IonicContact CZ-OE1 3.71Å; R145-E149 IonicContact NE-OE1 3.4Å; R145-E149 PolarHBondContact NE-OE1 2.78Å; R145-E149 IonicContact NH2-OE1 3.34Å; R145-E149 PolarHBondContact NH2-OE1 2.85Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 WeakPolarHBondContact O-CG 3.5Å; R145-E149 PolarHBondContact O-N 3.01Å; K146-E149 PolarHBondContact O-N 3.27Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 3.4Å; E149-R152 PolarHBondContact O-N 2.89Å; E149-E153 WeakPolarHBondContact O-CB 3.22Å; E149-E153 WeakPolarHBondContact O-CG 3Å; E149-E153 PolarHBondContact O-N 2.86Å
150S93.4Very high91.6Very high65 Ų65116.2 Ų116.246%0.45553%0.528SS..Hα-helixtrans-63.7-35.1176.973.70000113.6K146 R147 A154K146-S150 WeakPolarHBondContact O-CB 3.5Å; K146-S150 PolarHBondContact O-N 3.1Å; K146-S150 PolarHBondContact O-OG 2.93Å; R147-S150 PolarHBondContact O-N 3.44Å; R147-S150 PolarHBondContact O-OG 3.11Å; S150-A154 WeakPolarHBondContact O-CB 3.35Å; S150-A154 PolarHBondContact O-N 2.99Å
151Q92.9Very high91.7Very high116 Ų116120.1 Ų120.154%0.54254%0.539SS..Hα-helixtrans-68.4-44.6175.6-73173.810.500110.9R147 L148 E149 A154 E155R147-Q151 WeakPolarHBondContact O-CG 3.46Å; R147-Q151 PolarHBondContact O-N 3.24Å; L148-Q151 PolarHBondContact O-N 2.94Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 3.4Å; Q151-A154 PolarHBondContact O-N 3.05Å; Q151-E155 WeakPolarHBondContact O-CG 3.27Å; Q151-E155 PolarHBondContact O-N 2.7Å
152R91.9Very high91.9Very high155 Ų155121.4 Ų121.459%0.58554%0.538SS*.Hα-helixtrans-63.6-40.8176-71.6175-180-1770.3112.3L148 E149 A154 E155 W156L148-R152 WeakPolarHBondContact O-CG 3.49Å; L148-R152 PolarHBondContact O-N 2.82Å; E149-R152 PolarHBondContact O-N 2.89Å; R152-A154 VanDerWaalsContact C-N 3.33Å; R152-E155 PolarHBondContact O-N 3.49Å; R152-W156 WeakPolarHBondContact O-CB 3.44Å; R152-W156 PolarHBondContact O-N 3.45Å
153E92.4Very high92.1Very high114 Ų114120.1 Ų120.153%0.53354%0.54SS..Hα-helixtrans-65.1-37.3175.1-75.3-178-171.400112.2E149 K157E149-E153 WeakPolarHBondContact O-CB 3.22Å; E149-E153 WeakPolarHBondContact O-CG 3Å; E149-E153 PolarHBondContact O-N 2.86Å; E153-K157 WeakPolarHBondContact O-CB 3.43Å; E153-K157 VanDerWaalsContact O-CG 3.28Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.92Å
154A93.3Very high92.3Very high45 Ų45121.6 Ų121.637%0.37254%0.541SS..Hα-helixtrans-68.4-37.9175.900000112.2S150 Q151 R152 K158S150-A154 WeakPolarHBondContact O-CB 3.35Å; S150-A154 PolarHBondContact O-N 2.99Å; Q151-A154 PolarHBondContact O-N 3.05Å; R152-A154 VanDerWaalsContact C-N 3.33Å; A154-K158 VanDerWaalsContact O-CG 3.31Å; A154-K158 WeakPolarHBondContact O-CG 3.42Å; A154-K158 PolarHBondContact O-N 2.67Å
155E92.4Very high92.4Very high133 Ų133119.7 Ų119.762%0.62153%0.534SS*.Hα-helixtrans-66.3-46.1173.3-73.1176.4172.600111.4Q151 R152 K157 K158 E159Q151-E155 WeakPolarHBondContact O-CG 3.27Å; Q151-E155 PolarHBondContact O-N 2.7Å; R152-E155 PolarHBondContact O-N 3.49Å; E155-K157 PolarHBondContact O-N 3.34Å; E155-K158 PolarHBondContact O-N 3.44Å; E155-E159 PolarHBondContact O-N 3.47Å
156W89.4Confident92.4Very high175 Ų175115.7 Ų115.766%0.66352%0.523SS*.Hα-helixtrans-58.9-44.7176.9-173.6-84000112.1R152 K158 E159 E160R152-W156 WeakPolarHBondContact O-CB 3.44Å; R152-W156 PolarHBondContact O-N 3.45Å; W156-K158 VanDerWaalsContact C-N 3.34Å; W156-K158 PolarHBondContact O-N 3.33Å; W156-E159 PolarHBondContact O-N 3.38Å; W156-E160 WeakPolarHBondContact O-CB 3.39Å; W156-E160 PolarHBondContact O-N 2.78Å
157K94.7Very high92.3Very high121 Ų121115.3 Ų115.353%0.52652%0.523SS..Hα-helixtrans-61.9-40.9177.2-77.1172.1-177.31710112.3E153 E155 E160 E161E153-K157 WeakPolarHBondContact O-CB 3.43Å; E153-K157 VanDerWaalsContact O-CG 3.28Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.92Å; E155-K157 PolarHBondContact O-N 3.34Å; K157-E160 PolarHBondContact O-N 3.44Å; K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 3.2Å
158K94.6Very high92.1Very high142 Ų142113.1 Ų113.162%0.61752%0.52SS*.Hα-helixtrans-66.4-39176.7-72.8172.9-177178.60112.1A154 E155 W156 R162A154-K158 VanDerWaalsContact O-CG 3.31Å; A154-K158 WeakPolarHBondContact O-CG 3.42Å; A154-K158 PolarHBondContact O-N 2.67Å; E155-K158 PolarHBondContact O-N 3.44Å; W156-K158 VanDerWaalsContact C-N 3.34Å; W156-K158 PolarHBondContact O-N 3.33Å; K158-R162 WeakPolarHBondContact O-CG 3.44Å; K158-R162 PolarHBondContact O-N 2.72Å; K158-R162 VanDerWaalsContact O-N 3.13Å
159E90.6Very high92.1Very high118 Ų118114.9 Ų114.955%0.55153%0.526SS*.Hα-helixtrans-68.2-41.6175.9-171171.8-168.300111.4E155 W156 R162 L163E155-E159 PolarHBondContact O-N 3.47Å; W156-E159 PolarHBondContact O-N 3.38Å; E159-R162 PolarHBondContact O-N 3.22Å; E159-L163 HydrophobicContact CG-CD1 4.28Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.49Å
160E92.6Very high92.1Very high74 Ų74117.6 Ų117.635%0.34654%0.536SS..Hα-helixtrans-62.1-43.8175.5-171.4179.9173.100112W156 K157 R162 L163 R164W156-E160 WeakPolarHBondContact O-CB 3.39Å; W156-E160 PolarHBondContact O-N 2.78Å; K157-E160 PolarHBondContact O-N 3.44Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.92Å; E160-L163 PolarHBondContact O-N 3.49Å; E160-R164 WeakPolarHBondContact O-CG 3.31Å; E160-R164 PolarHBondContact O-N 3.27Å; E160-R164 IonicContact OE1-CZ 3.55Å; E160-R164 IonicContact OE1-NE 2.82Å; E160-R164 IonicContact OE1-NH2 3.38Å; E160-R164 PolarHBondContact OE1-NH2 2.73Å
161E92.1Very high91.9Very high128 Ų128120.2 Ų120.260%0.59854%0.542SS*.Hα-helixtrans-62.2-39.8175.2-76.2175.5-179.600112.2K157 R164 L165K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 3.2Å; E161-R164 PolarHBondContact O-N 2.73Å; E161-L165 WeakPolarHBondContact O-CG 2.99Å; E161-L165 PolarHBondContact O-N 3.49Å; E161-L165 VanDerWaalsContact O-N 3.1Å
162R93.9Very high91.8Very high164 Ų164120.4 Ų120.462%0.61954%0.542SS*.Hα-helixtrans-65.3-44.4175.1-76.3-174.663-171.3-6.4112.1K158 E159 E160 R164 L165 E166K158-R162 WeakPolarHBondContact O-CG 3.44Å; K158-R162 PolarHBondContact O-N 2.72Å; K158-R162 VanDerWaalsContact O-N 3.13Å; E159-R162 PolarHBondContact O-N 3.22Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.92Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.47Å; R162-L165 PolarHBondContact O-N 2.96Å; R162-E166 IonicContact NH2-OE1 2.72Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.82Å
163L92.7Very high91.7Very high96 Ų96119.3 Ų119.350%0.50354%0.544SS..Hα-helixtrans-63.3-39.6178-74.1171.8000111.5E159 E160 E166 E167E159-L163 HydrophobicContact CG-CD1 4.28Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.49Å; E160-L163 PolarHBondContact O-N 3.49Å; L163-E166 PolarHBondContact O-N 3.49Å; L163-E167 WeakPolarHBondContact O-CB 3.31Å; L163-E167 PolarHBondContact O-N 2.95Å
164R92.9Very high91.6Very high142 Ų142118.7 Ų118.754%0.53654%0.541SS..Hα-helixtrans-61.7-45.6174.8-74179.7-174.4-159.54.7112.1E160 E161 R162 E166 E167 E168E160-R164 WeakPolarHBondContact O-CG 3.31Å; E160-R164 PolarHBondContact O-N 3.27Å; E160-R164 IonicContact OE1-CZ 3.55Å; E160-R164 IonicContact OE1-NE 2.82Å; E160-R164 IonicContact OE1-NH2 3.38Å; E160-R164 PolarHBondContact OE1-NH2 2.73Å; E161-R164 PolarHBondContact O-N 2.73Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.47Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 3.38Å; R164-E167 PolarHBondContact O-N 3.01Å; R164-E168 WeakPolarHBondContact O-CB 3.09Å; R164-E168 WeakPolarHBondContact O-CG 3.41Å; R164-E168 PolarHBondContact O-N 3.24Å
165L91.4Very high91.6Very high99 Ų99123.5 Ų123.552%0.51855%0.55SS..Hα-helixtrans-63.5-39.3176.3-73.2167.3000112.2E161 R162 Q169E161-L165 WeakPolarHBondContact O-CG 2.99Å; E161-L165 PolarHBondContact O-N 3.49Å; E161-L165 VanDerWaalsContact O-N 3.1Å; R162-L165 PolarHBondContact O-N 2.96Å; L165-Q169 VanDerWaalsContact O-CG 3.27Å; L165-Q169 WeakPolarHBondContact O-CG 2.98Å; L165-Q169 PolarHBondContact O-N 2.89Å; L165-Q169 VanDerWaalsContact O-N 3.07Å
166E90.8Very high91.6Very high79 Ų79123.3 Ų123.337%0.36955%0.547SS..Hα-helixtrans-69-34.2176-73.3178.1-162.200112.5R162 L163 R164 K170R162-E166 IonicContact NH2-OE1 2.72Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.82Å; L163-E166 PolarHBondContact O-N 3.49Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 3.38Å; E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.08Å; E166-K170 VanDerWaalsContact O-N 3.14Å
167E90.4Very high91.8Very high136 Ų136117 Ų11764%0.63653%0.532SS*.Hα-helixtrans-70-44.5175.4-170.8170.7-16100111.4L163 R164 Q169 K170 E171L163-E167 WeakPolarHBondContact O-CB 3.31Å; L163-E167 PolarHBondContact O-N 2.95Å; R164-E167 PolarHBondContact O-N 3.01Å; E167-Q169 PolarHBondContact O-N 3.47Å; E167-K170 PolarHBondContact O-N 3.49Å; E167-E171 PolarHBondContact O-N 2.99Å
168E90.3Very high91.7Very high115 Ų115118.2 Ų118.254%0.53753%0.533SS..Hα-helixtrans-60.1-42.8174.8-73.8173-176.800111.7R164 K170 E171 E172R164-E168 WeakPolarHBondContact O-CB 3.09Å; R164-E168 WeakPolarHBondContact O-CG 3.41Å; R164-E168 PolarHBondContact O-N 3.24Å; E168-K170 PolarHBondContact O-N 2.92Å; E168-E171 PolarHBondContact O-N 3.38Å; E168-E172 WeakPolarHBondContact O-CG 3.43Å; E168-E172 PolarHBondContact O-N 3.49Å
169Q90.5Very high91.5Very high119 Ų119116 Ų11656%0.55653%0.525SS*.Hα-helixtrans-63.1-42.4176-74.9175.817.200112.3L165 E167 E172 E173L165-Q169 VanDerWaalsContact O-CG 3.27Å; L165-Q169 WeakPolarHBondContact O-CG 2.98Å; L165-Q169 PolarHBondContact O-N 2.89Å; L165-Q169 VanDerWaalsContact O-N 3.07Å; E167-Q169 PolarHBondContact O-N 3.47Å; Q169-E172 PolarHBondContact O-N 2.88Å; Q169-E173 WeakPolarHBondContact O-CG 3.48Å; Q169-E173 PolarHBondContact O-N 3.29Å
170K91.8Very high91.6Very high133 Ų133115.1 Ų115.158%0.57852%0.521SS*.Hα-helixtrans-65.2-39.8176.7-76.3170.4-177.3165.90112E166 E167 E168 E173 E174E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.08Å; E166-K170 VanDerWaalsContact O-N 3.14Å; E167-K170 PolarHBondContact O-N 3.49Å; E168-K170 PolarHBondContact O-N 2.92Å; K170-E173 PolarHBondContact O-N 3.46Å; K170-E174 WeakPolarHBondContact O-CB 3.4Å; K170-E174 PolarHBondContact O-N 2.65Å
171E89.1Confident91.4Very high121 Ų121117 Ų11757%0.56553%0.53SS*.Hα-helixtrans-65.1-41.3177-169.6176.8179.100111.1E167 E168 E174 R175E167-E171 PolarHBondContact O-N 2.99Å; E168-E171 PolarHBondContact O-N 3.38Å; E171-E174 PolarHBondContact O-N 3.5Å; E171-R175 WeakPolarHBondContact O-CB 3.22Å; E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.06Å
172E90.3Very high91.4Very high119 Ų119113.5 Ų113.556%0.55652%0.522SS*.Hα-helixtrans-64.4-41.9174.4-75.2-168.3-179.400113.1E168 Q169 R175 K176E168-E172 WeakPolarHBondContact O-CG 3.43Å; E168-E172 PolarHBondContact O-N 3.49Å; Q169-E172 PolarHBondContact O-N 2.88Å; E172-R175 PolarHBondContact O-N 3.39Å; E172-K176 WeakPolarHBondContact O-CG 3.34Å; E172-K176 PolarHBondContact O-N 3.38Å; E172-K176 IonicContact OE2-NZ 3.5Å
173E89.9Confident91.3Very high132 Ų132111.5 Ų111.562%0.61752%0.52SS*.Hα-helixtrans-64.5-43.4176-75.6-178.917600111.6Q169 K170 R175 K176 A177Q169-E173 WeakPolarHBondContact O-CG 3.48Å; Q169-E173 PolarHBondContact O-N 3.29Å; K170-E173 PolarHBondContact O-N 3.46Å; E173-R175 VanDerWaalsContact C-N 3.35Å; E173-R175 PolarHBondContact O-N 2.86Å; E173-K176 PolarHBondContact O-N 2.78Å; E173-A177 WeakPolarHBondContact O-CB 3.25Å; E173-A177 PolarHBondContact O-N 3.31Å
174E90.4Very high91.3Very high101 Ų101113.7 Ų113.747%0.47252%0.522SS..Hα-helixtrans-65.4-39.5177.4-170.1177.2-172.900111.4K170 E171 A177 R178K170-E174 WeakPolarHBondContact O-CB 3.4Å; K170-E174 PolarHBondContact O-N 2.65Å; E171-E174 PolarHBondContact O-N 3.5Å; E174-A177 PolarHBondContact O-N 2.89Å; E174-R178 VanDerWaalsContact CD-NH2 3.25Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 VanDerWaalsContact O-CG 3.27Å; E174-R178 WeakPolarHBondContact O-CG 3.47Å; E174-R178 PolarHBondContact O-N 3Å; E174-R178 IonicContact OE1-CZ 3.47Å; E174-R178 IonicContact OE1-NE 3.48Å; E174-R178 PolarHBondContact OE1-NE 3Å; E174-R178 IonicContact OE1-NH2 3.94Å; E174-R178 PolarHBondContact OE1-NH2 2.91Å; E174-R178 IonicContact OE2-NH2 2.64Å
175R91.9Very high91.3Very high147 Ų147113 Ų11356%0.55552%0.524SS*.Hα-helixtrans-62-46.4173.8-78.9-169.261.8-170.2-8.4112.2E171 E172 E173 A177 R178 E179E171-R175 WeakPolarHBondContact O-CB 3.22Å; E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.06Å; E172-R175 PolarHBondContact O-N 3.39Å; E173-R175 VanDerWaalsContact C-N 3.35Å; E173-R175 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.99Å; R175-R178 PolarHBondContact O-N 2.97Å; R175-E179 IonicContact NH2-OE1 3.51Å; R175-E179 PolarHBondContact NH2-OE1 2.92Å; R175-E179 WeakPolarHBondContact O-CB 3.33Å; R175-E179 WeakPolarHBondContact O-CG 3.41Å; R175-E179 PolarHBondContact O-N 3.15Å
176K93.9Very high91.2Very high129 Ų129113.5 Ų113.556%0.56152%0.524SS*.Hα-helixtrans-62.3-41.6176.5-73.9169.8-174.2160.20111.7E172 E173 R178 E179 E180E172-K176 WeakPolarHBondContact O-CG 3.34Å; E172-K176 PolarHBondContact O-N 3.38Å; E172-K176 IonicContact OE2-NZ 3.5Å; E173-K176 PolarHBondContact O-N 2.78Å; K176-R178 PolarHBondContact O-N 3.29Å; K176-E179 PolarHBondContact O-N 2.85Å; K176-E180 WeakPolarHBondContact O-CB 3.08Å; K176-E180 PolarHBondContact O-N 2.91Å
177A94.1Very high91.2Very high43 Ų43114.8 Ų114.836%0.35553%0.53SS..Hα-helixtrans-63.5-41.4177.100000112.1E173 E174 R175 E180 Q181E173-A177 WeakPolarHBondContact O-CB 3.25Å; E173-A177 PolarHBondContact O-N 3.31Å; E174-A177 PolarHBondContact O-N 2.89Å; R175-A177 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.99Å; A177-E180 PolarHBondContact O-N 3.29Å; A177-Q181 WeakPolarHBondContact O-CB 3.41Å; A177-Q181 VanDerWaalsContact O-CG 3.23Å; A177-Q181 WeakPolarHBondContact O-CG 3.4Å; A177-Q181 PolarHBondContact O-N 3.36Å
178R91.5Very high91.3Very high146 Ų146113.9 Ų113.955%0.55153%0.526SS*.Hα-helixtrans-66.2-41.1175.2-72174.4-174.8-179.93.9112E174 R175 K176 Q181 A182E174-R178 VanDerWaalsContact CD-NH2 3.25Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 VanDerWaalsContact O-CG 3.27Å; E174-R178 WeakPolarHBondContact O-CG 3.47Å; E174-R178 PolarHBondContact O-N 3Å; E174-R178 IonicContact OE1-CZ 3.47Å; E174-R178 IonicContact OE1-NE 3.48Å; E174-R178 PolarHBondContact OE1-NE 3Å; E174-R178 IonicContact OE1-NH2 3.94Å; E174-R178 PolarHBondContact OE1-NH2 2.91Å; E174-R178 IonicContact OE2-NH2 2.64Å; R175-R178 PolarHBondContact O-N 2.97Å; K176-R178 PolarHBondContact O-N 3.29Å; R178-Q181 PolarHBondContact O-N 3.24Å; R178-A182 WeakPolarHBondContact O-CB 3.43Å; R178-A182 PolarHBondContact O-N 2.89Å
179E91.5Very high91.1Very high96 Ų96115.1 Ų115.145%0.44953%0.526SS..Hα-helixtrans-63.9-43176.4-73.7172.5-164.100111.3R175 K176 A182 Q183R175-E179 IonicContact NH2-OE1 3.51Å; R175-E179 PolarHBondContact NH2-OE1 2.92Å; R175-E179 WeakPolarHBondContact O-CB 3.33Å; R175-E179 WeakPolarHBondContact O-CG 3.41Å; R175-E179 PolarHBondContact O-N 3.15Å; K176-E179 PolarHBondContact O-N 2.85Å; E179-A182 PolarHBondContact O-N 3.01Å; E179-Q183 WeakPolarHBondContact O-CG 3.2Å; E179-Q183 PolarHBondContact O-N 3.49Å
180E91.2Very high91.1Very high98 Ų98112.6 Ų112.646%0.45852%0.517SS..Hα-helixtrans-67-40.9176.2-170.3-179.4178.700112.2K176 A177 Q183 R184K176-E180 WeakPolarHBondContact O-CB 3.08Å; K176-E180 PolarHBondContact O-N 2.91Å; A177-E180 PolarHBondContact O-N 3.29Å; E180-Q183 PolarHBondContact O-N 3.42Å; E180-R184 WeakPolarHBondContact O-CG 3.35Å; E180-R184 PolarHBondContact O-N 3.32Å; E180-R184 IonicContact OE1-CZ 3.41Å; E180-R184 IonicContact OE1-NE 3.75Å; E180-R184 PolarHBondContact OE1-NE 3.37Å; E180-R184 IonicContact OE1-NH2 2.65Å; E180-R184 PolarHBondContact OE1-NH2 3.34Å
181Q89.7Confident90.9Very high115 Ų115112.5 Ų112.554%0.53752%0.516SS..Hα-helixtrans-61.5-46173.9-76.8174.8-3.800111.3A177 R178 Q183 R184 E185A177-Q181 WeakPolarHBondContact O-CB 3.41Å; A177-Q181 VanDerWaalsContact O-CG 3.23Å; A177-Q181 WeakPolarHBondContact O-CG 3.4Å; A177-Q181 PolarHBondContact O-N 3.36Å; R178-Q181 PolarHBondContact O-N 3.24Å; Q181-Q183 VanDerWaalsContact C-N 3.3Å; Q181-Q183 PolarHBondContact O-N 3.46Å; Q181-R184 PolarHBondContact O-N 3.34Å; Q181-E185 WeakPolarHBondContact O-CB 3.49Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 3.44Å
182A91.6Very high90.6Very high53 Ų53112.3 Ų112.344%0.43852%0.518SS..Hα-helixtrans-62.4-36.2177.700000112.4R178 E179 H186R178-A182 WeakPolarHBondContact O-CB 3.43Å; R178-A182 PolarHBondContact O-N 2.89Å; E179-A182 PolarHBondContact O-N 3.01Å; A182-H186 VanDerWaalsContact O-CB 3.31Å; A182-H186 WeakPolarHBondContact O-CB 3.45Å; A182-H186 PolarHBondContact O-N 2.94Å
183Q92.5Very high90.3Very high123 Ų123112.3 Ų112.358%0.57552%0.516SS*.Hα-helixtrans-66.4-46.3174.5-74.3176.31500111.8E179 E180 Q181 E185 H186 E187E179-Q183 WeakPolarHBondContact O-CG 3.2Å; E179-Q183 PolarHBondContact O-N 3.49Å; E180-Q183 PolarHBondContact O-N 3.42Å; Q181-Q183 VanDerWaalsContact C-N 3.3Å; Q181-Q183 PolarHBondContact O-N 3.46Å; Q183-E185 PolarHBondContact O-N 2.85Å; Q183-H186 WeakPolarHBondContact O-CB 3.49Å; Q183-H186 PolarHBondContact O-N 2.93Å; Q183-H186 VanDerWaalsContact O-N 3.15Å; Q183-E187 WeakPolarHBondContact O-CG 3.32Å; Q183-E187 PolarHBondContact O-N 3.38Å
184R92.6Very high89.9Confident142 Ų142112.9 Ų112.954%0.53652%0.519SS..Hα-helixtrans-60.7-45.9176.6-69.7174.2-175.1-167.83.6111.5E180 Q181 H186 E187 E188E180-R184 WeakPolarHBondContact O-CG 3.35Å; E180-R184 PolarHBondContact O-N 3.32Å; E180-R184 IonicContact OE1-CZ 3.41Å; E180-R184 IonicContact OE1-NE 3.75Å; E180-R184 PolarHBondContact OE1-NE 3.37Å; E180-R184 IonicContact OE1-NH2 2.65Å; E180-R184 PolarHBondContact OE1-NH2 3.34Å; Q181-R184 PolarHBondContact O-N 3.34Å; R184-H186 VanDerWaalsContact C-N 3.28Å; R184-H186 PolarHBondContact O-N 2.97Å; R184-E187 PolarHBondContact O-N 3.49Å; R184-E188 WeakPolarHBondContact O-CB 3.35Å; R184-E188 WeakPolarHBondContact O-CG 3.23Å; R184-E188 PolarHBondContact O-N 3.38Å
185E91.9Very high89.3Confident127 Ų127112.4 Ų112.459%0.59353%0.532SS*.Hα-helixtrans-61.5-36.5175.3-72.9177.2-173.600111.9Q181 Q183 Y189Q181-E185 WeakPolarHBondContact O-CB 3.49Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 3.44Å; Q183-E185 PolarHBondContact O-N 2.85Å; E185-Y189 WeakPolarHBondContact O-CB 3.37Å; E185-Y189 PolarHBondContact O-N 2.91Å
186H89.4Confident88.1Confident109 Ų109113 Ų11351%0.50554%0.539SS..Hα-helixtrans-69.1-42.2176.2-170.963.2000112.4A182 Q183 R184 Y189 L190A182-H186 VanDerWaalsContact O-CB 3.31Å; A182-H186 WeakPolarHBondContact O-CB 3.45Å; A182-H186 PolarHBondContact O-N 2.94Å; Q183-H186 WeakPolarHBondContact O-CB 3.49Å; Q183-H186 PolarHBondContact O-N 2.93Å; Q183-H186 VanDerWaalsContact O-N 3.15Å; R184-H186 VanDerWaalsContact C-N 3.28Å; R184-H186 PolarHBondContact O-N 2.97Å; H186-Y189 PolarHBondContact O-N 2.89Å; H186-L190 WeakPolarHBondContact O-CG 3.34Å; H186-L190 PolarHBondContact O-N 3.46Å
187E91.4Very high86.5Confident106 Ų106111.9 Ų111.950%0.49554%0.543SS..Hα-helixtrans-63.4-42.5174-72.2-179.2-170.100111.7Q183 R184 L190 K191Q183-E187 WeakPolarHBondContact O-CG 3.32Å; Q183-E187 PolarHBondContact O-N 3.38Å; R184-E187 PolarHBondContact O-N 3.49Å; E187-L190 PolarHBondContact O-N 2.93Å; E187-K191 WeakPolarHBondContact O-CG 3.46Å; E187-K191 PolarHBondContact O-N 3.5Å
188E91.1Very high84.7Confident117 Ų117114.5 Ų114.555%0.54755%0.554SS.*Hα-helixtrans-62.4-45.7173.1-74.2-177.7178.900110.7R184 L190 K191 L192R184-E188 WeakPolarHBondContact O-CB 3.35Å; R184-E188 WeakPolarHBondContact O-CG 3.23Å; R184-E188 PolarHBondContact O-N 3.38Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.47Å; E188-K191 PolarHBondContact O-N 3.24Å; E188-L192 HydrophobicContact CB-CD1 4.32Å; E188-L192 WeakPolarHBondContact O-CB 3.44Å; E188-L192 WeakPolarHBondContact O-CD1 3.31Å; E188-L192 PolarHBondContact O-N 2.93Å
189Y87.1Confident82.9Confident141 Ų141115.7 Ų115.755%0.55357%0.566SS**Hα-helixtrans-59.1-41.7175.8175.2-98.6000112E185 H186 L192 K193E185-Y189 WeakPolarHBondContact O-CB 3.37Å; E185-Y189 PolarHBondContact O-N 2.91Å; H186-Y189 PolarHBondContact O-N 2.89Å; Y189-L192 PolarHBondContact O-N 3.39Å; Y189-K193 HydrophobicContact CE1-CD 4.07Å; Y189-K193 WeakPolarHBondContact O-CA 3.38Å; Y189-K193 WeakPolarHBondContact O-CB 3.33Å; Y189-K193 PolarHBondContact O-N 3.34Å
190L89.5Confident80.9Confident67 Ų67118.1 Ų118.135%0.35158%0.578SS.*Hα-helixtrans-65.1-45.3176-73.8172.9000111.4H186 E187 E188 L192 K193 E194H186-L190 WeakPolarHBondContact O-CG 3.34Å; H186-L190 PolarHBondContact O-N 3.46Å; E187-L190 PolarHBondContact O-N 2.93Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.47Å; L190-L192 PolarHBondContact O-N 3.5Å; L190-K193 PolarHBondContact O-N 3.48Å; L190-E194 WeakPolarHBondContact O-CB 3.48Å; L190-E194 WeakPolarHBondContact O-CG 3.49Å; L190-E194 PolarHBondContact O-N 3.33Å
191K87.4Confident79Confident131 Ų131122.7 Ų122.757%0.5760%0.599SS**Hα-helixtrans-61.5-44175.4-73.3170.5-175.8163.30112.1E187 E188 E194 A195E187-K191 WeakPolarHBondContact O-CG 3.46Å; E187-K191 PolarHBondContact O-N 3.5Å; E188-K191 PolarHBondContact O-N 3.24Å; K191-E194 PolarHBondContact O-N 3.31Å; K191-A195 VanDerWaalsContact O-CB 3.31Å; K191-A195 WeakPolarHBondContact O-CB 3.39Å; K191-A195 PolarHBondContact O-N 2.98Å
192L84Confident77.3Confident116 Ų116120.5 Ų120.561%0.60761%0.607SS**Hα-helixtrans-67.1-37.2174.9-88.1106000111.4E188 Y189 L190 A195 F196E188-L192 HydrophobicContact CB-CD1 4.32Å; E188-L192 WeakPolarHBondContact O-CB 3.44Å; E188-L192 WeakPolarHBondContact O-CD1 3.31Å; E188-L192 PolarHBondContact O-N 2.93Å; Y189-L192 PolarHBondContact O-N 3.39Å; L190-L192 PolarHBondContact O-N 3.5Å; L192-A195 PolarHBondContact O-N 2.92Å; L192-F196 WeakPolarHBondContact O-CA 3.43Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.88Å
193K83.4Confident75Confident120 Ų120122.5 Ų122.552%0.52261%0.614SS.*Hα-helixtrans-66.8-40.1176.8-178.7-176.4177-169.60111.2Y189 L190 F196 V197Y189-K193 HydrophobicContact CE1-CD 4.07Å; Y189-K193 WeakPolarHBondContact O-CA 3.38Å; Y189-K193 WeakPolarHBondContact O-CB 3.33Å; Y189-K193 PolarHBondContact O-N 3.34Å; L190-K193 PolarHBondContact O-N 3.48Å; K193-F196 CarbonylContact O-C 3.35Å; K193-F196 PolarHBondContact O-N 3Å; K193-V197 WeakPolarHBondContact O-CG2 3.34Å; K193-V197 PolarHBondContact O-N 3.13Å
194E80.9Confident73.1Confident143 Ų143119.8 Ų119.867%0.66862%0.619SS**Hα-helixtrans-66.5-44174.1-74.6174.7-176.900111.2L190 K191 F196 V197L190-E194 WeakPolarHBondContact O-CB 3.48Å; L190-E194 WeakPolarHBondContact O-CG 3.49Å; L190-E194 PolarHBondContact O-N 3.33Å; K191-E194 PolarHBondContact O-N 3.31Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.07Å; E194-V197 WeakPolarHBondContact O-CB 3.41Å; E194-V197 PolarHBondContact O-N 3.1Å
195A77.7Confident71.2Confident91 Ų91120.5 Ų120.575%0.75263%0.628SS**Hα-helixtrans-70.7-26.9175.400000113.5K191 L192K191-A195 VanDerWaalsContact O-CB 3.31Å; K191-A195 WeakPolarHBondContact O-CB 3.39Å; K191-A195 PolarHBondContact O-N 2.98Å; L192-A195 PolarHBondContact O-N 2.92Å
196F67.4Low69.2Low160 Ų160121 Ų12170%0.70264%0.641SS**THydrogen-bonded Turntrans-96.515.2175.2-163.2-95.8000111.5L192 K193 E194 V198L192-F196 WeakPolarHBondContact O-CA 3.43Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.88Å; K193-F196 CarbonylContact O-C 3.35Å; K193-F196 PolarHBondContact O-N 3Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.07Å; F196-V198 HydrophobicContact CD1-CG2 4.26Å; F196-V198 HydrophobicContact CE1-CG2 3.99Å; F196-V198 HydrophobicContact CZ-CG2 4.27Å; F196-V198 PolarHBondContact O-N 3.42Å
197V59.5Low67.7Low106 Ų106120 Ų12064%0.64264%0.637SS**  trans-63.591.7155.7175.60000104.9K193 E194 E199K193-V197 WeakPolarHBondContact O-CG2 3.34Å; K193-V197 PolarHBondContact O-N 3.13Å; E194-V197 WeakPolarHBondContact O-CB 3.41Å; E194-V197 PolarHBondContact O-N 3.1Å; V197-E199 PolarHBondContact O-N 3.18Å
198V57.2Low66.7Low98 Ų98118.7 Ų118.759%0.59464%0.636SS**  trans-48.1114.5170.8176.40000105.2F196 E200F196-V198 HydrophobicContact CD1-CG2 4.26Å; F196-V198 HydrophobicContact CE1-CG2 3.99Å; F196-V198 HydrophobicContact CZ-CG2 4.27Å; F196-V198 PolarHBondContact O-N 3.42Å; V198-E200 PolarHBondContact O-N 3.13Å
199E53.1Low65.7Low171 Ų171120.7 Ų120.780%0.79965%0.645SS**  trans-45112.1164.4-71.6173.7163.100105.6V197 E201V197-E199 PolarHBondContact O-N 3.18Å; E199-E201 PolarHBondContact O-N 2.88Å
200E50Low65Low147 Ų147121.7 Ų121.769%0.68766%0.655SS**  trans-72.864.6-177.7-163.3173.9-161.500107.6V198 G202 V203V198-E200 PolarHBondContact O-N 3.13Å; E200-G202 PolarHBondContact O-N 2.64Å; E200-V203 HydrophobicContact CG-CB 4.01Å; E200-V203 HydrophobicContact CG-CG2 3.87Å; E200-V203 WeakPolarHBondContact OE1-CG2 3.46Å
201E51.6Low64.3Low193 Ų193123.4 Ų123.490%0.90266%0.662SS**THydrogen-bonded Turntrans-68.982.3173.2-134.6-172.7-177.200106.4E199E199-E201 PolarHBondContact O-N 2.88Å
202G53.1Low63.7Low69 Ų69119.3 Ų119.371%0.71165%0.649SS**THydrogen-bonded Turntrans143.95.9171.300000118.2E200E200-G202 PolarHBondContact O-N 2.64Å
203V44.5Very low63.5Low96 Ų96119.9 Ų119.958%0.58265%0.649SS**SBendtrans-102.9106.1161.1179.10000106.4E200 E205E200-V203 HydrophobicContact CG-CB 4.01Å; E200-V203 HydrophobicContact CG-CG2 3.87Å; E200-V203 WeakPolarHBondContact OE1-CG2 3.46Å; V203-E205 PolarHBondContact O-N 3.14Å
204G52.2Low63.5Low66 Ų66117.9 Ų117.968%0.6865%0.65SS**  trans-47.2112.2-177.700000109.7T206G204-T206 PolarHBondContact O-N 3.4Å
205E52.8Low63.6Low156 Ų156114.1 Ų114.173%0.72963%0.631SS**  trans-43119.6158.6-83.5-176.6138.600105.2V203 M207V203-E205 PolarHBondContact O-N 3.14Å; E205-M207 HydrophobicContact CB-CE 3.51Å; E205-M207 HydrophobicContact CG-CE 4.33Å; E205-M207 PolarHBondContact O-N 3.34Å; E205-M207 WeakPolarHBondContact OE2-CE 3.37Å
206T50.6Low64Low139 Ų139112.5 Ų112.585%0.85361%0.61SS**  trans-63.984.1164.349.90000105.2G204 T208G204-T206 PolarHBondContact O-N 3.4Å; T206-T208 PolarHBondContact O-N 3.41Å
207M56.7Low64.9Low88 Ų88108.7 Ų108.743%0.43360%0.6SS.*  trans-42.2131.2167.3-68.5-75125.500105.7E205 E209 Q211E205-M207 HydrophobicContact CB-CE 3.51Å; E205-M207 HydrophobicContact CG-CE 4.33Å; E205-M207 PolarHBondContact O-N 3.34Å; E205-M207 WeakPolarHBondContact OE2-CE 3.37Å; M207-E209 PolarHBondContact O-N 2.91Å; M207-Q211 HydrophobicContact CB-CB 4.02Å; M207-Q211 HydrophobicContact SD-CB 4.19Å
208T71.3Confident66.2Low78 Ų78110.2 Ų110.248%0.47960%0.6SS.*  trans-51.2146.9171.150.60000108.7T206 E210 Q211 S212T206-T208 PolarHBondContact O-N 3.41Å; T208-E210 PolarHBondContact O-N 3.5Å; T208-Q211 WeakPolarHBondContact O-CA 3.47Å; T208-Q211 WeakPolarHBondContact O-CB 3.32Å; T208-Q211 PolarHBondContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.37Å; T208-Q211 PolarHBondContact OG1-OE1 2.98Å; T208-S212 PolarHBondContact O-N 2.96Å
209E70.5Confident67.7Low158 Ų158105.9 Ų105.974%0.73857%0.573SS**Hα-helixtrans-53.9-29-174.9-66.9-178.9170.700112.5M207 S212 Q213M207-E209 PolarHBondContact O-N 2.91Å; E209-S212 PolarHBondContact O-OG 2.92Å; E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 3.27Å; E209-Q213 PolarHBondContact O-N 3.47Å; E209-Q213 VanDerWaalsContact O-N 3.1Å
210E71.8Confident69.4Low163 Ų16398.7 Ų98.776%0.76254%0.54SS*.Hα-helixtrans-69.6-42.5174.5-63.4177.4175.300112.6T208 Q213 S214T208-E210 PolarHBondContact O-N 3.5Å; E210-Q213 PolarHBondContact O-N 3.39Å; E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 3.29Å
211Q74.6Confident71.3Confident103 Ų10395 Ų9548%0.48153%0.525SS..Hα-helixtrans-66-39.2176.2-73.4168.8-32.700111.3M207 T208 S214 F215M207-Q211 HydrophobicContact CB-CB 4.02Å; M207-Q211 HydrophobicContact SD-CB 4.19Å; T208-Q211 WeakPolarHBondContact O-CA 3.47Å; T208-Q211 WeakPolarHBondContact O-CB 3.32Å; T208-Q211 PolarHBondContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.37Å; T208-Q211 PolarHBondContact OG1-OE1 2.98Å; Q211-S214 PolarHBondContact O-N 3.46Å; Q211-F215 VanDerWaalsContact O-CB 3.26Å; Q211-F215 WeakPolarHBondContact O-CB 3.47Å; Q211-F215 PolarHBondContact O-N 3.39Å
212S74.4Confident73.1Confident44 Ų4488.6 Ų88.631%0.30849%0.493SS..Hα-helixtrans-67.6-38.7177.870.90000112T208 E209 F215 L216T208-S212 PolarHBondContact O-N 2.96Å; E209-S212 PolarHBondContact O-OG 2.92Å; S212-F215 PolarHBondContact O-N 3.16Å; S212-L216 VanDerWaalsContact O-CG 3.27Å; S212-L216 WeakPolarHBondContact O-CG 3.35Å; S212-L216 PolarHBondContact O-N 3.49Å
213Q79.4Confident74.8Confident128 Ų12885.3 Ų85.360%0.59846%0.459SS*.Hα-helixtrans-67.5-42.1174.2-74.3-175.135.700112.6E209 E210 F215 L216 T217E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 3.27Å; E209-Q213 PolarHBondContact O-N 3.47Å; E209-Q213 VanDerWaalsContact O-N 3.1Å; E210-Q213 PolarHBondContact O-N 3.39Å; Q213-F215 VanDerWaalsContact C-N 3.32Å; Q213-F215 PolarHBondContact O-N 3.41Å; Q213-L216 PolarHBondContact O-N 3.49Å; Q213-T217 WeakPolarHBondContact O-CB 3.44Å; Q213-T217 PolarHBondContact O-N 2.85Å; Q213-T217 PolarHBondContact O-OG1 3.15Å
214S83.8Confident76.9Confident78 Ų7885.3 Ų85.355%0.54545%0.451SS..Hα-helixtrans-58.9-46.8175.6-175.70000110.8E210 Q211 T217 E218E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 3.29Å; Q211-S214 PolarHBondContact O-N 3.46Å; S214-T217 WeakPolarHBondContact O-CB 3.43Å; S214-T217 PolarHBondContact O-N 3.48Å; S214-E218 PolarHBondContact O-N 3.32Å
215F83.6Confident78.5Confident64 Ų6489.6 Ų89.628%0.28145%0.453SS..Hα-helixtrans-61.4-45.9177.7176.9-86.7000112.9Q211 S212 Q213 T217 E218 F219 V238 L240Q211-F215 VanDerWaalsContact O-CB 3.26Å; Q211-F215 WeakPolarHBondContact O-CB 3.47Å; Q211-F215 PolarHBondContact O-N 3.39Å; S212-F215 PolarHBondContact O-N 3.16Å; Q213-F215 VanDerWaalsContact C-N 3.32Å; Q213-F215 PolarHBondContact O-N 3.41Å; F215-T217 PolarHBondContact O-N 3.26Å; F215-E218 PolarHBondContact O-N 2.85Å; F215-F219 VanDerWaalsContact O-CB 3.29Å; F215-F219 WeakPolarHBondContact O-CB 3.4Å; F215-F219 PolarHBondContact O-N 3.23Å; F215-V238 HydrophobicContact CE1-CG1 3.7Å; F215-V238 HydrophobicContact CE2-CG1 3.47Å; F215-V238 VanDerWaalsContact CE2-CG1 3.47Å; F215-V238 HydrophobicContact CZ-CB 4.37Å; F215-V238 HydrophobicContact CZ-CG1 2.95Å; F215-L240 HydrophobicContact CE1-CD1 4.15Å; F215-L240 HydrophobicContact CZ-CD1 3.9Å; F215-L240 HydrophobicContact CZ-CG 4.32Å
216L85.2Confident80Confident58 Ų5884 Ų8430%0.30443%0.432SS..Hα-helixtrans-61.2-37.1176.7-73.8172.5000111.5S212 Q213 F219 I220S212-L216 VanDerWaalsContact O-CG 3.27Å; S212-L216 WeakPolarHBondContact O-CG 3.35Å; S212-L216 PolarHBondContact O-N 3.49Å; Q213-L216 PolarHBondContact O-N 3.49Å; L216-F219 WeakPolarHBondContact O-CB 3.31Å; L216-F219 PolarHBondContact O-N 3.45Å; L216-I220 WeakPolarHBondContact O-CB 3.37Å; L216-I220 WeakPolarHBondContact O-CD1 3.17Å; L216-I220 WeakPolarHBondContact O-CG1 3.48Å; L216-I220 PolarHBondContact O-N 2.95Å
217T87.8Confident81.6Confident79 Ų7978.9 Ų78.949%0.48540%0.398SS..Hα-helixtrans-66.1-45.9178.2-560000111.4Q213 S214 F215 I220 N221Q213-T217 WeakPolarHBondContact O-CB 3.44Å; Q213-T217 PolarHBondContact O-N 2.85Å; Q213-T217 PolarHBondContact O-OG1 3.15Å; S214-T217 WeakPolarHBondContact O-CB 3.43Å; S214-T217 PolarHBondContact O-N 3.48Å; F215-T217 PolarHBondContact O-N 3.26Å; T217-I220 PolarHBondContact O-N 3.47Å; T217-N221 WeakPolarHBondContact O-CB 3.35Å; T217-N221 PolarHBondContact O-N 3.1Å; T217-N221 PolarHBondContact O-ND2 2.93Å; T217-N221 VanDerWaalsContact O-ND2 3.17Å
218E86.5Confident83.1Confident139 Ų13978 Ų7865%0.6540%0.397SS*.Hα-helixtrans-61.6-44.1175.4-173.9172.7-170.900111.8S214 F215 I220 N221 Y222S214-E218 PolarHBondContact O-N 3.32Å; F215-E218 PolarHBondContact O-N 2.85Å; E218-I220 PolarHBondContact O-N 3.33Å; E218-N221 PolarHBondContact O-N 2.89Å; E218-Y222 PolarHBondContact O-N 3.49Å
219F88.6Confident84.1Confident6 Ų674.5 Ų74.53%0.02638%0.375CS..Hα-helixtrans-56.4-48.9175.5-177.2-96.2000112.4F215 L216 N221 Y222 I223 L234 V238 T245 I249 L252F215-F219 VanDerWaalsContact O-CB 3.29Å; F215-F219 WeakPolarHBondContact O-CB 3.4Å; F215-F219 PolarHBondContact O-N 3.23Å; L216-F219 WeakPolarHBondContact O-CB 3.31Å; L216-F219 PolarHBondContact O-N 3.45Å; F219-N221 VanDerWaalsContact C-N 3.35Å; F219-N221 PolarHBondContact O-N 3.28Å; F219-Y222 PolarHBondContact O-N 3.39Å; F219-I223 HydrophobicContact CD1-CD1 3.84Å; F219-I223 HydrophobicContact CE1-CD1 3.43Å; F219-I223 VanDerWaalsContact CE1-CD1 3.43Å; F219-I223 HydrophobicContact CZ-CD1 3.91Å; F219-I223 WeakPolarHBondContact O-CG1 3.3Å; F219-I223 PolarHBondContact O-N 2.85Å; F219-I223 VanDerWaalsContact O-N 3.16Å; F219-L234 HydrophobicContact CD2-CD1 4.02Å; F219-L234 HydrophobicContact CD2-CG 4.35Å; F219-L234 HydrophobicContact CE2-CD1 3.72Å; F219-L234 HydrophobicContact CE2-CD2 3.57Å; F219-L234 HydrophobicContact CE2-CG 3.57Å; F219-L234 HydrophobicContact CZ-CD1 4.46Å; F219-L234 HydrophobicContact CZ-CD2 3.57Å; F219-L234 HydrophobicContact CZ-CG 4.11Å; F219-V238 HydrophobicContact CD2-CG1 4.23Å; F219-V238 HydrophobicContact CD2-CG2 3.92Å; F219-V238 HydrophobicContact CE2-CG2 4.31Å; F219-T245 HydrophobicContact CE2-CG2 4.05Å; F219-T245 HydrophobicContact CZ-CG2 4.02Å; F219-I249 HydrophobicContact CE1-CG1 3.94Å; F219-I249 HydrophobicContact CZ-CD1 4.19Å; F219-I249 HydrophobicContact CZ-CG1 3.82Å; F219-L252 HydrophobicContact CD1-CD1 3.89Å; F219-L252 HydrophobicContact CE1-CD1 3.8Å
220I89.4Confident85.1Confident20 Ų2070.2 Ų70.210%0.10336%0.357CS..Hα-helixtrans-64.4-41.5177.5-68.8161.2000110.7L216 T217 E218 Y222 I223 K224 L252 T257 I258L216-I220 WeakPolarHBondContact O-CB 3.37Å; L216-I220 WeakPolarHBondContact O-CD1 3.17Å; L216-I220 WeakPolarHBondContact O-CG1 3.48Å; L216-I220 PolarHBondContact O-N 2.95Å; T217-I220 PolarHBondContact O-N 3.47Å; E218-I220 PolarHBondContact O-N 3.33Å; I220-Y222 VanDerWaalsContact C-N 3.33Å; I220-Y222 PolarHBondContact O-N 3.39Å; I220-I223 PolarHBondContact O-N 3.43Å; I220-K224 HydrophobicContact CG2-CD 3.9Å; I220-K224 VanDerWaalsContact CG2-CE 3.48Å; I220-K224 HydrophobicContact CG2-CG 4.39Å; I220-K224 WeakPolarHBondContact O-CG 3.27Å; I220-K224 PolarHBondContact O-N 3.32Å; I220-L252 HydrophobicContact CD1-CD2 4Å; I220-L252 HydrophobicContact CG1-CD1 4.03Å; I220-L252 HydrophobicContact CG1-CD2 4.38Å; I220-T257 HydrophobicContact CD1-CG2 3.7Å; I220-I258 HydrophobicContact CG1-CG2 4.42Å; I220-I258 HydrophobicContact CG2-CG2 4.05Å
221N89.6Confident86Confident71 Ų7162.6 Ų62.638%0.3832%0.322SS..Hα-helixtrans-63.6-40.8179.3-73.1-24.5000111.6T217 E218 F219 K224 Q225T217-N221 WeakPolarHBondContact O-CB 3.35Å; T217-N221 PolarHBondContact O-N 3.1Å; T217-N221 PolarHBondContact O-ND2 2.93Å; T217-N221 VanDerWaalsContact O-ND2 3.17Å; E218-N221 PolarHBondContact O-N 2.89Å; F219-N221 VanDerWaalsContact C-N 3.35Å; F219-N221 PolarHBondContact O-N 3.28Å; N221-K224 PolarHBondContact O-N 2.9Å; N221-Q225 VanDerWaalsContact O-CG 3.27Å; N221-Q225 WeakPolarHBondContact O-CG 3.39Å; N221-Q225 PolarHBondContact O-N 3.49Å
222Y88.4Confident86.8Confident58 Ų5863.6 Ų63.623%0.22733%0.327CS..Hα-helixtrans-61.3-46175.8-178.1-101.5000111.7E218 F219 I220 K224 Q225 S226 V229 L234 Q237E218-Y222 PolarHBondContact O-N 3.49Å; F219-Y222 PolarHBondContact O-N 3.39Å; I220-Y222 VanDerWaalsContact C-N 3.33Å; I220-Y222 PolarHBondContact O-N 3.39Å; Y222-K224 VanDerWaalsContact C-N 3.31Å; Y222-K224 PolarHBondContact O-N 3.11Å; Y222-Q225 PolarHBondContact O-N 3.42Å; Y222-S226 WeakPolarHBondContact O-CB 3.36Å; Y222-S226 PolarHBondContact O-N 3.26Å; Y222-V229 HydrophobicContact CE1-CG1 3.99Å; Y222-L234 HydrophobicContact CD1-CD1 3.52Å; Y222-L234 HydrophobicContact CE1-CD1 3.84Å; Y222-Q237 VanDerWaalsContact CE1-OE1 3.23Å; Y222-Q237 PolarHBondContact OH-NE2 3.2Å; Y222-Q237 PolarHBondContact OH-OE1 2.96Å
223I89.2Confident87.5Confident0 Ų064.9 Ų64.90%033%0.33CS..Hα-helixtrans-61.3-39.3176.1-68.7171.8000111.7F219 I220 S226 V229 L234 I249 I258 F268 Y270F219-I223 HydrophobicContact CD1-CD1 3.84Å; F219-I223 HydrophobicContact CE1-CD1 3.43Å; F219-I223 VanDerWaalsContact CE1-CD1 3.43Å; F219-I223 HydrophobicContact CZ-CD1 3.91Å; F219-I223 WeakPolarHBondContact O-CG1 3.3Å; F219-I223 PolarHBondContact O-N 2.85Å; F219-I223 VanDerWaalsContact O-N 3.16Å; I220-I223 PolarHBondContact O-N 3.43Å; I223-S226 CarbonylContact O-C 3.6Å; I223-V229 HydrophobicContact CG1-CG2 4.49Å; I223-L234 HydrophobicContact CD1-CD2 4.15Å; I223-L234 HydrophobicContact CG1-CD2 4.24Å; I223-I249 HydrophobicContact CD1-CD1 4.49Å; I223-I249 HydrophobicContact CD1-CG1 4.3Å; I223-I258 HydrophobicContact CD1-CD1 4.37Å; I223-F268 HydrophobicContact CG2-CD1 3.89Å; I223-F268 HydrophobicContact CG2-CE1 3.47Å; I223-F268 VanDerWaalsContact CG2-CE1 3.47Å; I223-Y270 HydrophobicContact CG2-CD2 3.97Å; I223-Y270 HydrophobicContact CG2-CG 4.07Å
224K87.8Confident88Confident95 Ų9558.8 Ų58.841%0.41330%0.302SS..Hα-helixtrans-68.2-36.8178.8-75.4175.4177.3174.50112.5I220 N221 Y222 Y270I220-K224 HydrophobicContact CG2-CD 3.9Å; I220-K224 VanDerWaalsContact CG2-CE 3.48Å; I220-K224 HydrophobicContact CG2-CG 4.39Å; I220-K224 WeakPolarHBondContact O-CG 3.27Å; I220-K224 PolarHBondContact O-N 3.32Å; N221-K224 PolarHBondContact O-N 2.9Å; Y222-K224 VanDerWaalsContact C-N 3.31Å; Y222-K224 PolarHBondContact O-N 3.11Å; K224-Y270 HydrophobicContact CB-CE1 4.28Å; K224-Y270 HydrophobicContact CG-CD1 4.42Å; K224-Y270 HydrophobicContact CG-CE1 3.78Å; K224-Y270 HydrophobicContact CG-CE2 4.29Å
225Q86.4Confident88.2Confident156 Ų15655.2 Ų55.273%0.72928%0.276SS*.Hα-helixtrans-73.5-47.7176.9-70.3171.318.900111.1N221 Y222 K227N221-Q225 VanDerWaalsContact O-CG 3.27Å; N221-Q225 WeakPolarHBondContact O-CG 3.39Å; N221-Q225 PolarHBondContact O-N 3.49Å; Y222-Q225 PolarHBondContact O-N 3.42Å; Q225-K227 PolarHBondContact O-N 3.28Å
226S83.9Confident88.4Confident39 Ų3956.6 Ų56.627%0.27329%0.294SS..SBendtrans-92.282.4179.9-63.50000109.2Y222 I223 V228 V229Y222-S226 WeakPolarHBondContact O-CB 3.36Å; Y222-S226 PolarHBondContact O-N 3.26Å; I223-S226 CarbonylContact O-C 3.6Å; S226-V228 PolarHBondContact O-N 3.46Å; S226-V229 WeakPolarHBondContact O-CG2 3.33Å
227K84.4Confident88.3Confident32 Ų3258.9 Ų58.914%0.13930%0.303CS..SBendtrans-49.5-32.6-176.9-167.3177.4-174.862.40114.5Q225 Y270 E275 A303 W304Q225-K227 PolarHBondContact O-N 3.28Å; K227-Y270 VanDerWaalsContact CG-O 3.28Å; K227-Y270 WeakPolarHBondContact CG-O 3.34Å; K227-Y270 PolarHBondContact NZ-O 2.93Å; K227-Y270 VanDerWaalsContact NZ-O 3.08Å; K227-Y270 PolarHBondContact O-N 2.91Å; K227-E275 WeakPolarHBondContact CE-OE1 3.42Å; K227-E275 IonicContact NZ-OE1 2.81Å; K227-E275 PolarHBondContact NZ-OE1 3.48Å; K227-E275 IonicContact NZ-OE2 2.63Å; K227-E275 PolarHBondContact NZ-OE2 3.48Å; K227-A303 WeakPolarHBondContact CD-O 3.42Å; K227-A303 VanDerWaalsContact CE-O 3.27Å; K227-A303 WeakPolarHBondContact CE-O 3.43Å; K227-W304 HydrophobicContact CD-CB 4.09Å; K227-W304 VanDerWaalsContact CD-CD1 3.43Å; K227-W304 HydrophobicContact CD-CG 3.76Å; K227-W304 VanDerWaalsContact CE-NE1 3.28Å
228V89.1Confident88Confident69 Ų6956.6 Ų56.642%0.41829%0.289SS..EExtended strand (participates in β ladder)trans-118.5117.6174.4-176.80000108.2S226 I269 W304S226-V228 PolarHBondContact O-N 3.46Å; V228-I269 HydrophobicContact CG2-CG1 4.45Å; V228-W304 HydrophobicContact CG2-CD2 4.01Å; V228-W304 HydrophobicContact CG2-CE3 3.52Å; V228-W304 HydrophobicContact CG2-CZ3 3.91Å
229V91.1Very high87.8Confident4 Ų453.3 Ų53.32%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-121.4135.4-177.5-170.10000110.2Y222 I223 S226 L234 F268Y222-V229 HydrophobicContact CE1-CG1 3.99Å; I223-V229 HydrophobicContact CG1-CG2 4.49Å; S226-V229 WeakPolarHBondContact O-CG2 3.33Å; V229-L234 HydrophobicContact CG1-CB 3.74Å; V229-L234 HydrophobicContact CG1-CD1 4.33Å; V229-L234 HydrophobicContact CG1-CD2 4.11Å; V229-L234 HydrophobicContact CG1-CG 4.3Å; V229-F268 PolarHBondContact N-O 3.13Å; V229-F268 PolarHBondContact O-N 2.95Å
230L92.3Very high87.7Confident68 Ų6855.2 Ų55.236%0.35630%0.303SS..EExtended strand (participates in β ladder)trans-83.6127.9167.2-171.270000108.9E232 D233 L234 K267L230-E232 HydrophobicContact CD2-CB 4.32Å; L230-E232 HydrophobicContact CG-CB 4.37Å; L230-E232 PolarHBondContact O-N 3.26Å; L230-D233 HydrophobicContact CB-CB 4.11Å; L230-D233 PolarHBondContact O-N 2.87Å; L230-D233 VanDerWaalsContact O-N 3.15Å; L230-L234 PolarHBondContact O-N 3.45Å; L230-K267 HydrophobicContact CD1-CG 3.86Å
231L90.8Very high87.7Confident3 Ų363.3 Ų63.32%0.01633%0.332CS..Hα-helixtrans-62.7-32.1-175.4-68.4173.2000112.7A235 T242 I246 I249 I262 G266 F268L231-A235 VanDerWaalsContact O-CB 3.23Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.02Å; L231-T242 HydrophobicContact CB-CG2 4.23Å; L231-I246 HydrophobicContact CD1-CD1 4.18Å; L231-I246 HydrophobicContact CD1-CG1 3.66Å; L231-I249 HydrophobicContact CD2-CD1 3.25Å; L231-I262 HydrophobicContact CD1-CG2 4.1Å; L231-G266 VanDerWaalsContact CB-O 3.31Å; L231-G266 WeakPolarHBondContact CB-O 3.42Å; L231-G266 VanDerWaalsContact CG-O 3.25Å; L231-G266 WeakPolarHBondContact CG-O 3.35Å; L231-G266 PolarHBondContact N-O 3.31Å; L231-F268 HydrophobicContact CD2-CB 4.02Å
232E90.3Very high87.7Confident125 Ų12562.4 Ų62.458%0.58433%0.329SS*.Hα-helixtrans-68.4-40175.6-63.8179.8172.800112.8L230 A235 S236 T242L230-E232 HydrophobicContact CD2-CB 4.32Å; L230-E232 HydrophobicContact CG-CB 4.37Å; L230-E232 PolarHBondContact O-N 3.26Å; E232-A235 PolarHBondContact O-N 2.96Å; E232-S236 WeakPolarHBondContact O-CB 3.36Å; E232-S236 PolarHBondContact O-N 3.24Å; E232-S236 PolarHBondContact O-OG 3.2Å; E232-T242 HydrophobicContact CG-CG2 4.1Å
233D90.4Very high87.8Confident71 Ų7165.7 Ų65.738%0.3835%0.346SS..Hα-helixtrans-69.2-42.8177.8-177.839.8000110.5L230 A235 S236 Q237L230-D233 HydrophobicContact CB-CB 4.11Å; L230-D233 PolarHBondContact O-N 2.87Å; L230-D233 VanDerWaalsContact O-N 3.15Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 3.38Å; D233-S236 PolarHBondContact O-N 3Å; D233-S236 VanDerWaalsContact O-N 3.16Å; D233-Q237 PolarHBondContact O-N 2.95Å
234L88.8Confident87.9Confident0 Ų069 Ų690%036%0.364CS..Hα-helixtrans-60.1-43.9173.5-174.361.9000111.8F219 Y222 I223 V229 L230 S236 V238 T245 I249F219-L234 HydrophobicContact CD2-CD1 4.02Å; F219-L234 HydrophobicContact CD2-CG 4.35Å; F219-L234 HydrophobicContact CE2-CD1 3.72Å; F219-L234 HydrophobicContact CE2-CD2 3.57Å; F219-L234 HydrophobicContact CE2-CG 3.57Å; F219-L234 HydrophobicContact CZ-CD1 4.46Å; F219-L234 HydrophobicContact CZ-CD2 3.57Å; F219-L234 HydrophobicContact CZ-CG 4.11Å; Y222-L234 HydrophobicContact CD1-CD1 3.52Å; Y222-L234 HydrophobicContact CE1-CD1 3.84Å; I223-L234 HydrophobicContact CD1-CD2 4.15Å; I223-L234 HydrophobicContact CG1-CD2 4.24Å; V229-L234 HydrophobicContact CG1-CB 3.74Å; V229-L234 HydrophobicContact CG1-CD1 4.33Å; V229-L234 HydrophobicContact CG1-CD2 4.11Å; V229-L234 HydrophobicContact CG1-CG 4.3Å; L230-L234 PolarHBondContact O-N 3.45Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 2.72Å; L234-V238 HydrophobicContact CD1-CG2 4.13Å; L234-V238 WeakPolarHBondContact O-CB 3.47Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 2.88Å; L234-T245 HydrophobicContact CB-CG2 4.22Å; L234-T245 HydrophobicContact CD2-CG2 3.63Å; L234-T245 HydrophobicContact CG-CG2 3.8Å; L234-I249 HydrophobicContact CD2-CD1 3.76Å
235A88.9Confident88Confident2 Ų264.4 Ų64.42%0.01734%0.344CS..Hα-helixtrans-61.7-41.7175.500000111.6L231 E232 D233 V238 G239 L240 T245L231-A235 VanDerWaalsContact O-CB 3.23Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.02Å; E232-A235 PolarHBondContact O-N 2.96Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 3.38Å; A235-V238 PolarHBondContact O-N 3.5Å; A235-G239 PolarHBondContact O-N 3Å; A235-L240 WeakPolarHBondContact CB-O 3.36Å; A235-L240 PolarHBondContact O-N 3.44Å; A235-T245 WeakPolarHBondContact CA-OG1 3.31Å; A235-T245 WeakPolarHBondContact CB-OG1 3.33Å
236S87.6Confident88.2Confident94 Ų9458.5 Ų58.566%0.65732%0.317SS*.Hα-helixtrans-67.2-43.6-179.9-58.20000112.9E232 D233 L234 V238 G239E232-S236 WeakPolarHBondContact O-CB 3.36Å; E232-S236 PolarHBondContact O-N 3.24Å; E232-S236 PolarHBondContact O-OG 3.2Å; D233-S236 PolarHBondContact O-N 3Å; D233-S236 VanDerWaalsContact O-N 3.16Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 2.72Å; S236-V238 PolarHBondContact O-N 3.36Å; S236-G239 PolarHBondContact O-N 3.38Å
237Q83.8Confident88.6Confident105 Ų10560.1 Ų60.149%0.49132%0.323SS..Hα-helixtrans-63.6-33.9176.8-78.4177.1-2.600112.6Y222 D233Y222-Q237 VanDerWaalsContact CE1-OE1 3.23Å; Y222-Q237 PolarHBondContact OH-NE2 3.2Å; Y222-Q237 PolarHBondContact OH-OE1 2.96Å; D233-Q237 PolarHBondContact O-N 2.95Å
238V80Confident88.9Confident32 Ų3262.6 Ų62.619%0.19433%0.331CS..Hα-helixtrans-95.8-6.8-171.2-179.80000111.1F215 F219 L234 A235 S236 L240F215-V238 HydrophobicContact CE1-CG1 3.7Å; F215-V238 HydrophobicContact CE2-CG1 3.47Å; F215-V238 VanDerWaalsContact CE2-CG1 3.47Å; F215-V238 HydrophobicContact CZ-CB 4.37Å; F215-V238 HydrophobicContact CZ-CG1 2.95Å; F219-V238 HydrophobicContact CD2-CG1 4.23Å; F219-V238 HydrophobicContact CD2-CG2 3.92Å; F219-V238 HydrophobicContact CE2-CG2 4.31Å; L234-V238 HydrophobicContact CD1-CG2 4.13Å; L234-V238 WeakPolarHBondContact O-CB 3.47Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 2.88Å; A235-V238 PolarHBondContact O-N 3.5Å; S236-V238 PolarHBondContact O-N 3.36Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.73Å; V238-L240 HydrophobicContact CG1-CG 3.95Å; V238-L240 PolarHBondContact O-N 2.73Å
239G84Confident89Confident70 Ų7059.3 Ų59.372%0.72231%0.311SS*.THydrogen-bonded Turntrans68.322.4179.800000114A235 S236A235-G239 PolarHBondContact O-N 3Å; S236-G239 PolarHBondContact O-N 3.38Å
240L86.6Confident89Confident45 Ų4563.8 Ų63.824%0.23633%0.332CS..  trans-104.3160.5-179.8-67.4177.5000111F215 A235 V238F215-L240 HydrophobicContact CE1-CD1 4.15Å; F215-L240 HydrophobicContact CZ-CD1 3.9Å; F215-L240 HydrophobicContact CZ-CG 4.32Å; A235-L240 WeakPolarHBondContact CB-O 3.36Å; A235-L240 PolarHBondContact O-N 3.44Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.73Å; V238-L240 HydrophobicContact CG1-CG 3.95Å; V238-L240 PolarHBondContact O-N 2.73Å
241R89.1Confident89Confident191 Ų19165 Ų6572%0.72134%0.339SS*.  trans-69.1144.4167.1-64.4180175.7175.22109.2Q243 D244 T245R241-Q243 PolarHBondContact O-N 2.91Å; R241-Q243 VanDerWaalsContact O-N 3.11Å; R241-D244 HydrophobicContact CB-CB 4.5Å; R241-D244 WeakPolarHBondContact CB-OD2 3.45Å; R241-D244 WeakPolarHBondContact O-CA 3.28Å; R241-D244 WeakPolarHBondContact O-CB 3.42Å; R241-D244 PolarHBondContact O-N 3.38Å; R241-T245 PolarHBondContact O-N 2.87Å; R241-T245 PolarHBondContact O-OG1 3.49Å
242T89.6Confident89Confident52 Ų5265.3 Ų65.332%0.31934%0.341SS..Hα-helixtrans-53.7-37.3178.7-43.20000112.9L231 E232 T245 I246L231-T242 HydrophobicContact CB-CG2 4.23Å; E232-T242 HydrophobicContact CG-CG2 4.1Å; T242-T245 PolarHBondContact O-N 3.38Å; T242-I246 HydrophobicContact CG2-CD1 4.3Å; T242-I246 WeakPolarHBondContact O-CD1 3.36Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.35Å; T242-I246 PolarHBondContact O-N 3.33Å
243Q90.6Very high89.1Confident126 Ų12662 Ų6259%0.58933%0.326SS*.Hα-helixtrans-65.3-39.9176.1-66.7-62.6-23.300112.4R241 T245 I246 N247R241-Q243 PolarHBondContact O-N 2.91Å; R241-Q243 VanDerWaalsContact O-N 3.11Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; Q243-I246 WeakPolarHBondContact O-CB 3.37Å; Q243-I246 PolarHBondContact O-N 3.26Å; Q243-N247 PolarHBondContact O-N 3.33Å; Q243-N247 PolarHBondContact O-ND2 3.29Å
244D90.6Very high89.2Confident69 Ų6962.8 Ų62.837%0.36934%0.343SS..Hα-helixtrans-69.3-37178.5-59.3-27.7000110.7R241 N247 R248R241-D244 HydrophobicContact CB-CB 4.5Å; R241-D244 WeakPolarHBondContact CB-OD2 3.45Å; R241-D244 WeakPolarHBondContact O-CA 3.28Å; R241-D244 WeakPolarHBondContact O-CB 3.42Å; R241-D244 PolarHBondContact O-N 3.38Å; D244-N247 PolarHBondContact O-N 2.89Å; D244-R248 WeakPolarHBondContact O-CG 3.39Å; D244-R248 PolarHBondContact O-N 2.93Å
245T89.8Confident89.2Confident0 Ų069.4 Ų69.40%037%0.374CS..Hα-helixtrans-62-42.5171.5-55.10000111.8F219 L234 A235 R241 T242 Q243 R248 I249F219-T245 HydrophobicContact CE2-CG2 4.05Å; F219-T245 HydrophobicContact CZ-CG2 4.02Å; L234-T245 HydrophobicContact CB-CG2 4.22Å; L234-T245 HydrophobicContact CD2-CG2 3.63Å; L234-T245 HydrophobicContact CG-CG2 3.8Å; A235-T245 WeakPolarHBondContact CA-OG1 3.31Å; A235-T245 WeakPolarHBondContact CB-OG1 3.33Å; R241-T245 PolarHBondContact O-N 2.87Å; R241-T245 PolarHBondContact O-OG1 3.49Å; T242-T245 PolarHBondContact O-N 3.38Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; T245-R248 PolarHBondContact O-N 2.82Å; T245-I249 HydrophobicContact CG2-CD1 4.16Å; T245-I249 WeakPolarHBondContact O-CG1 3.2Å; T245-I249 PolarHBondContact O-N 2.92Å
246I90.9Very high89.1Confident32 Ų3271.8 Ų71.816%0.16440%0.398CS..Hα-helixtrans-61.6-47.9176-70.8162.5000110.5L231 T242 Q243 R248 I249 Q250L231-I246 HydrophobicContact CD1-CD1 4.18Å; L231-I246 HydrophobicContact CD1-CG1 3.66Å; T242-I246 HydrophobicContact CG2-CD1 4.3Å; T242-I246 WeakPolarHBondContact O-CD1 3.36Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.35Å; T242-I246 PolarHBondContact O-N 3.33Å; Q243-I246 WeakPolarHBondContact O-CB 3.37Å; Q243-I246 PolarHBondContact O-N 3.26Å; I246-R248 PolarHBondContact O-N 2.9Å; I246-I249 PolarHBondContact O-N 3.5Å; I246-Q250 HydrophobicContact CG2-CG 4.41Å; I246-Q250 WeakPolarHBondContact O-CG 3.46Å; I246-Q250 PolarHBondContact O-N 3.46Å
247N92.2Very high89.2Confident72 Ų7270.3 Ų70.339%0.38539%0.385SS..Hα-helixtrans-59.6-47.3179.3-66.2-24.1000110.9Q243 D244 I249 Q250 D251Q243-N247 PolarHBondContact O-N 3.33Å; Q243-N247 PolarHBondContact O-ND2 3.29Å; D244-N247 PolarHBondContact O-N 2.89Å; N247-I249 VanDerWaalsContact C-N 3.31Å; N247-I249 PolarHBondContact O-N 2.86Å; N247-Q250 WeakPolarHBondContact O-CB 3.45Å; N247-Q250 PolarHBondContact O-N 3.01Å; N247-Q250 VanDerWaalsContact O-N 3.07Å; N247-D251 VanDerWaalsContact O-CG 3.24Å; N247-D251 PolarHBondContact O-N 2.92Å
248R89.7Confident89.5Confident84 Ų8465.4 Ų65.432%0.31736%0.363SS..Hα-helixtrans-59.3-39.6176.4-73.1-178.7-175.7-137.510.1112.9D244 T245 I246 D251 L252D244-R248 WeakPolarHBondContact O-CG 3.39Å; D244-R248 PolarHBondContact O-N 2.93Å; T245-R248 PolarHBondContact O-N 2.82Å; I246-R248 PolarHBondContact O-N 2.9Å; R248-D251 PolarHBondContact O-N 3.2Å; R248-L252 WeakPolarHBondContact O-CB 3.37Å; R248-L252 VanDerWaalsContact O-CG 3.23Å; R248-L252 WeakPolarHBondContact O-CG 3.38Å; R248-L252 PolarHBondContact O-N 3.41Å
249I91.4Very high90.1Very high0 Ų065.7 Ų65.70%036%0.364CS..Hα-helixtrans-66.3-41.9175.5-72.4167.6000110.8F219 I223 L231 L234 T245 I246 N247 D251 L252 L253 I258 I262 F268F219-I249 HydrophobicContact CE1-CG1 3.94Å; F219-I249 HydrophobicContact CZ-CD1 4.19Å; F219-I249 HydrophobicContact CZ-CG1 3.82Å; I223-I249 HydrophobicContact CD1-CD1 4.49Å; I223-I249 HydrophobicContact CD1-CG1 4.3Å; L231-I249 HydrophobicContact CD2-CD1 3.25Å; L234-I249 HydrophobicContact CD2-CD1 3.76Å; T245-I249 HydrophobicContact CG2-CD1 4.16Å; T245-I249 WeakPolarHBondContact O-CG1 3.2Å; T245-I249 PolarHBondContact O-N 2.92Å; I246-I249 PolarHBondContact O-N 3.5Å; N247-I249 VanDerWaalsContact C-N 3.31Å; N247-I249 PolarHBondContact O-N 2.86Å; I249-D251 VanDerWaalsContact C-N 3.32Å; I249-D251 PolarHBondContact O-N 3.43Å; I249-L252 PolarHBondContact O-N 3.04Å; I249-L253 HydrophobicContact CG2-CD1 3.91Å; I249-L253 HydrophobicContact CG2-CG 4.32Å; I249-L253 WeakPolarHBondContact O-CB 3.49Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 2.91Å; I249-I258 HydrophobicContact CG2-CD1 4.24Å; I249-I262 HydrophobicContact CG2-CD1 4.28Å; I249-F268 HydrophobicContact CG2-CD2 3.87Å; I249-F268 HydrophobicContact CG2-CE2 3.77Å; I249-F268 HydrophobicContact CG2-CG 4.45Å; I249-F268 HydrophobicContact CG2-CZ 4.28Å
250Q92.2Very high90.4Very high98 Ų9863.4 Ų63.446%0.45834%0.341SS..Hα-helixtrans-62.3-40.8176.3-71.6178.55.400111.8I246 N247 L253 A254 I262I246-Q250 HydrophobicContact CG2-CG 4.41Å; I246-Q250 WeakPolarHBondContact O-CG 3.46Å; I246-Q250 PolarHBondContact O-N 3.46Å; N247-Q250 WeakPolarHBondContact O-CB 3.45Å; N247-Q250 PolarHBondContact O-N 3.01Å; N247-Q250 VanDerWaalsContact O-N 3.07Å; Q250-L253 WeakPolarHBondContact O-CB 3.33Å; Q250-L253 PolarHBondContact O-N 3.03Å; Q250-A254 WeakPolarHBondContact O-CB 3.4Å; Q250-A254 PolarHBondContact O-N 3.25Å; Q250-I262 HydrophobicContact CG-CD1 4.36Å
251D92.6Very high90.6Very high93 Ų9365.3 Ų65.350%0.49736%0.355SS..Hα-helixtrans-62.7-47.1175.2-64-26.5000110.8N247 R248 I249 L253 A254 E255N247-D251 VanDerWaalsContact O-CG 3.24Å; N247-D251 PolarHBondContact O-N 2.92Å; R248-D251 PolarHBondContact O-N 3.2Å; I249-D251 VanDerWaalsContact C-N 3.32Å; I249-D251 PolarHBondContact O-N 3.43Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 PolarHBondContact O-N 2.64Å; D251-A254 WeakPolarHBondContact O-CB 3.35Å; D251-A254 PolarHBondContact O-N 3.47Å; D251-A254 VanDerWaalsContact O-N 3.07Å; D251-E255 WeakPolarHBondContact O-CG 3.4Å; D251-E255 PolarHBondContact O-N 2.9Å
252L90.8Very high90.7Very high11 Ų1159 Ų596%0.05834%0.335CS..Hα-helixtrans-64.4-30.5176.9-69.8170.3000113.3F219 I220 R248 I249 G256 T257 I258F219-L252 HydrophobicContact CD1-CD1 3.89Å; F219-L252 HydrophobicContact CE1-CD1 3.8Å; I220-L252 HydrophobicContact CD1-CD2 4Å; I220-L252 HydrophobicContact CG1-CD1 4.03Å; I220-L252 HydrophobicContact CG1-CD2 4.38Å; R248-L252 WeakPolarHBondContact O-CB 3.37Å; R248-L252 VanDerWaalsContact O-CG 3.23Å; R248-L252 WeakPolarHBondContact O-CG 3.38Å; R248-L252 PolarHBondContact O-N 3.41Å; I249-L252 PolarHBondContact O-N 3.04Å; L252-G256 PolarHBondContact O-N 3Å; L252-T257 HydrophobicContact CD2-CG2 4.2Å; L252-T257 PolarHBondContact O-N 3.36Å; L252-I258 HydrophobicContact CB-CD1 3.69Å; L252-I258 HydrophobicContact CB-CG1 3.75Å; L252-I258 HydrophobicContact CD1-CD1 4.14Å; L252-I258 PolarHBondContact O-N 3.4Å
253L91.3Very high90.6Very high54 Ų5459.8 Ų59.828%0.28334%0.337SS..Hα-helixtrans-71.3-38.6171.9-73.5167000111.3I249 Q250 D251 G256 I258 I262 F268I249-L253 HydrophobicContact CG2-CD1 3.91Å; I249-L253 HydrophobicContact CG2-CG 4.32Å; I249-L253 WeakPolarHBondContact O-CB 3.49Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 2.91Å; Q250-L253 WeakPolarHBondContact O-CB 3.33Å; Q250-L253 PolarHBondContact O-N 3.03Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 PolarHBondContact O-N 2.64Å; L253-G256 PolarHBondContact O-N 2.95Å; L253-I258 HydrophobicContact CD2-CG1 4.09Å; L253-I258 HydrophobicContact CG-CG1 4.21Å; L253-I262 HydrophobicContact CD1-CD1 4.39Å; L253-F268 HydrophobicContact CD1-CE2 4.19Å; L253-F268 HydrophobicContact CD2-CE2 4.26Å; L253-F268 HydrophobicContact CD2-CZ 4.36Å
254A91.7Very high90.3Very high88 Ų8860.7 Ų60.773%0.72735%0.346SS*.Hα-helixtrans-68.9-37.3177.600000112Q250 D251 G256Q250-A254 WeakPolarHBondContact O-CB 3.4Å; Q250-A254 PolarHBondContact O-N 3.25Å; D251-A254 WeakPolarHBondContact O-CB 3.35Å; D251-A254 PolarHBondContact O-N 3.47Å; D251-A254 VanDerWaalsContact O-N 3.07Å; A254-G256 PolarHBondContact O-N 3.16Å
255E90Very high89.9Confident140 Ų14066.6 Ų66.665%0.65436%0.363SS*.Hα-helixtrans-70.5-20.5172.1-69.6175.3-175.400112.8D251 T257D251-E255 WeakPolarHBondContact O-CG 3.4Å; D251-E255 PolarHBondContact O-N 2.9Å; E255-T257 VanDerWaalsContact C-N 3.27Å
256G86.6Confident89.8Confident51 Ų5167.7 Ų67.753%0.52637%0.374SS..THydrogen-bonded Turntrans76.612.1-176.400000114.1L252 L253 A254 I258L252-G256 PolarHBondContact O-N 3Å; L253-G256 PolarHBondContact O-N 2.95Å; A254-G256 PolarHBondContact O-N 3.16Å; G256-I258 VanDerWaalsContact C-N 3.3Å
257T89.3Confident89.8Confident63 Ų6370.5 Ų70.539%0.38739%0.385SS..SBendtrans-66-35176.3-58.80000111.5I220 L252 E255I220-T257 HydrophobicContact CD1-CG2 3.7Å; L252-T257 HydrophobicContact CD2-CG2 4.2Å; L252-T257 PolarHBondContact O-N 3.36Å; E255-T257 VanDerWaalsContact C-N 3.27Å
258I91.1Very high89.8Confident2 Ų267 Ų671%0.0137%0.367CS..SBendtrans-126.9155.3171.966.8-177.4000110.2I220 I223 I249 L252 L253 G256 F268 Y270I220-I258 HydrophobicContact CG1-CG2 4.42Å; I220-I258 HydrophobicContact CG2-CG2 4.05Å; I223-I258 HydrophobicContact CD1-CD1 4.37Å; I249-I258 HydrophobicContact CG2-CD1 4.24Å; L252-I258 HydrophobicContact CB-CD1 3.69Å; L252-I258 HydrophobicContact CB-CG1 3.75Å; L252-I258 HydrophobicContact CD1-CD1 4.14Å; L252-I258 PolarHBondContact O-N 3.4Å; L253-I258 HydrophobicContact CD2-CG1 4.09Å; L253-I258 HydrophobicContact CG-CG1 4.21Å; G256-I258 VanDerWaalsContact C-N 3.3Å; I258-F268 HydrophobicContact CD1-CE1 4.37Å; I258-F268 HydrophobicContact CD1-CZ 4.02Å; I258-F268 HydrophobicContact CG1-CZ 4.49Å; I258-Y270 HydrophobicContact CB-CD2 4.3Å; I258-Y270 HydrophobicContact CB-CE2 3.96Å; I258-Y270 HydrophobicContact CG2-CE2 4.26Å
259T91.4Very high89.8Confident38 Ų3864.6 Ų64.623%0.23336%0.36CS..  trans-127.6131.8176.241.80000108.7Y270 I271T259-Y270 VanDerWaalsContact O-CD2 3.23Å; T259-Y270 WeakPolarHBondContact O-CD2 3.47Å; T259-I271 WeakPolarHBondContact CB-O 3.46Å; T259-I271 PolarHBondContact O-N 3.43Å; T259-I271 PolarHBondContact OG1-O 3.39Å
260G91Very high89.9Confident23 Ų2365.7 Ų65.724%0.23736%0.364CS..EExtended strand (participates in β ladder)trans178.8-179.8-176.200000113.4I269G260-I269 CarbonylContact C-O 3.36Å; G260-I269 WeakPolarHBondContact CA-O 3.25Å
261V90.3Very high89.7Confident85 Ų8562 Ų6252%0.51535%0.347SS..EExtended strand (participates in β ladder)trans-129.3137.8-179.2-173.80000109.3I269 I271V261-I269 PolarHBondContact N-O 3.25Å; V261-I269 PolarHBondContact O-N 3.42Å; V261-I271 HydrophobicContact CG2-CD1 3.96Å
262I91.1Very high89.5Confident59 Ų5959.5 Ų59.530%0.30334%0.335SS..EExtended strand (participates in β ladder)trans-98124.7173.7-58.6166.6000108.1L231 I249 Q250 L253 K267 F268L231-I262 HydrophobicContact CD1-CG2 4.1Å; I249-I262 HydrophobicContact CG2-CD1 4.28Å; Q250-I262 HydrophobicContact CG-CD1 4.36Å; L253-I262 HydrophobicContact CD1-CD1 4.39Å; I262-K267 CarbonylContact C-O 3.52Å; I262-K267 WeakPolarHBondContact CA-O 3.29Å; I262-F268 HydrophobicContact CG1-CD2 3.74Å; I262-F268 HydrophobicContact CG1-CE2 4.37Å
263D88.9Confident89.4Confident67 Ų6762.9 Ų62.936%0.35836%0.358SS..  trans-79.5154.3172.5-166.319.7000110.7R265 G266 K267D263-R265 PolarHBondContact O-N 2.88Å; D263-G266 PolarHBondContact O-N 3.34Å; D263-G266 VanDerWaalsContact O-N 3.07Å; D263-K267 HydrophobicContact CB-CB 4.09Å; D263-K267 PolarHBondContact N-O 2.8Å
264D83.9Confident89.2Confident146 Ų14667.9 Ų67.978%0.78138%0.38SS*.THydrogen-bonded Turntrans-62.4-17.917866.7-5.3000112.8
265R82.6Confident89Confident192 Ų19264.8 Ų64.873%0.72535%0.35SS*.THydrogen-bonded Turntrans-87.56.2177.8-46.4-167.8178.6-171.5-2.2114.8D263D263-R265 PolarHBondContact O-N 2.88Å
266G87.1Confident88.9Confident23 Ų2362.4 Ų62.424%0.23734%0.342CS..SBendtrans78.129.2-179.800000114L231 D263L231-G266 VanDerWaalsContact CB-O 3.31Å; L231-G266 WeakPolarHBondContact CB-O 3.42Å; L231-G266 VanDerWaalsContact CG-O 3.25Å; L231-G266 WeakPolarHBondContact CG-O 3.35Å; L231-G266 PolarHBondContact N-O 3.31Å; D263-G266 PolarHBondContact O-N 3.34Å; D263-G266 VanDerWaalsContact O-N 3.07Å
267K91.6Very high89.1Confident91 Ų9162.1 Ų62.140%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-104.3134.2172.5-64.2179.9-178.8-177.40109.9L230 I262 D263L230-K267 HydrophobicContact CD1-CG 3.86Å; I262-K267 CarbonylContact C-O 3.52Å; I262-K267 WeakPolarHBondContact CA-O 3.29Å; D263-K267 HydrophobicContact CB-CB 4.09Å; D263-K267 PolarHBondContact N-O 2.8Å
268F92.1Very high89Confident0 Ų060.7 Ų60.70%033%0.329CS..EExtended strand (participates in β ladder)trans-103.6130.2170.6-178.1-105.3000110I223 V229 L231 I249 L253 I258 I262 Y270I223-F268 HydrophobicContact CG2-CD1 3.89Å; I223-F268 HydrophobicContact CG2-CE1 3.47Å; I223-F268 VanDerWaalsContact CG2-CE1 3.47Å; V229-F268 PolarHBondContact N-O 3.13Å; V229-F268 PolarHBondContact O-N 2.95Å; L231-F268 HydrophobicContact CD2-CB 4.02Å; I249-F268 HydrophobicContact CG2-CD2 3.87Å; I249-F268 HydrophobicContact CG2-CE2 3.77Å; I249-F268 HydrophobicContact CG2-CG 4.45Å; I249-F268 HydrophobicContact CG2-CZ 4.28Å; L253-F268 HydrophobicContact CD1-CE2 4.19Å; L253-F268 HydrophobicContact CD2-CE2 4.26Å; L253-F268 HydrophobicContact CD2-CZ 4.36Å; I258-F268 HydrophobicContact CD1-CE1 4.37Å; I258-F268 HydrophobicContact CD1-CZ 4.02Å; I258-F268 HydrophobicContact CG1-CZ 4.49Å; I262-F268 HydrophobicContact CG1-CD2 3.74Å; I262-F268 HydrophobicContact CG1-CE2 4.37Å; F268-Y270 HydrophobicContact CE1-CD2 4.32Å
269I90Very high88.9Confident33 Ų3361.6 Ų61.617%0.16934%0.335CS..EExtended strand (participates in β ladder)trans-111.9115.4174.5-62.5155.6000108V228 G260 V261 I271 W304V228-I269 HydrophobicContact CG2-CG1 4.45Å; G260-I269 CarbonylContact C-O 3.36Å; G260-I269 WeakPolarHBondContact CA-O 3.25Å; V261-I269 PolarHBondContact N-O 3.25Å; V261-I269 PolarHBondContact O-N 3.42Å; I269-I271 HydrophobicContact CG2-CG1 4.26Å; I269-W304 HydrophobicContact CB-CZ2 4.48Å; I269-W304 HydrophobicContact CD1-CH2 3.47Å; I269-W304 VanDerWaalsContact CD1-CH2 3.47Å; I269-W304 HydrophobicContact CD1-CZ2 4.1Å; I269-W304 HydrophobicContact CD1-CZ3 4.22Å; I269-W304 HydrophobicContact CG1-CH2 3.92Å; I269-W304 HydrophobicContact CG1-CZ2 4.35Å; I269-W304 HydrophobicContact CG1-CZ3 4.41Å; I269-W304 HydrophobicContact CG2-CH2 3.85Å; I269-W304 HydrophobicContact CG2-CZ2 3.4Å
270Y91.8Very high88.8Confident22 Ų2261.3 Ų61.39%0.08634%0.336CS..EExtended strand (participates in β ladder)trans-78.7124.3173.2-176.9-110.6000110.8I223 K224 K227 I258 T259 F268 T272I223-Y270 HydrophobicContact CG2-CD2 3.97Å; I223-Y270 HydrophobicContact CG2-CG 4.07Å; K224-Y270 HydrophobicContact CB-CE1 4.28Å; K224-Y270 HydrophobicContact CG-CD1 4.42Å; K224-Y270 HydrophobicContact CG-CE1 3.78Å; K224-Y270 HydrophobicContact CG-CE2 4.29Å; K227-Y270 VanDerWaalsContact CG-O 3.28Å; K227-Y270 WeakPolarHBondContact CG-O 3.34Å; K227-Y270 PolarHBondContact NZ-O 2.93Å; K227-Y270 VanDerWaalsContact NZ-O 3.08Å; K227-Y270 PolarHBondContact O-N 2.91Å; I258-Y270 HydrophobicContact CB-CD2 4.3Å; I258-Y270 HydrophobicContact CB-CE2 3.96Å; I258-Y270 HydrophobicContact CG2-CE2 4.26Å; T259-Y270 VanDerWaalsContact O-CD2 3.23Å; T259-Y270 WeakPolarHBondContact O-CD2 3.47Å; F268-Y270 HydrophobicContact CE1-CD2 4.32Å; Y270-T272 HydrophobicContact CE1-CG2 4.05Å
271I89.3Confident88.8Confident20 Ų2063.7 Ų63.710%0.10334%0.343CS..  trans-114.6125.4178.6-58.1176.3000106.8T259 V261 I269 E275 L276T259-I271 WeakPolarHBondContact CB-O 3.46Å; T259-I271 PolarHBondContact O-N 3.43Å; T259-I271 PolarHBondContact OG1-O 3.39Å; V261-I271 HydrophobicContact CG2-CD1 3.96Å; I269-I271 HydrophobicContact CG2-CG1 4.26Å; I271-E275 HydrophobicContact CG2-CB 3.76Å; I271-L276 HydrophobicContact CG2-CB 4.16Å
272T88.9Confident88.7Confident41 Ų4161 Ų6125%0.25233%0.325SS..  trans-70.1153.3177.769.20000109.9Y270 E274 E275 L276Y270-T272 HydrophobicContact CE1-CG2 4.05Å; T272-E274 PolarHBondContact O-N 3.47Å; T272-E274 VanDerWaalsContact O-N 3.16Å; T272-E275 PolarHBondContact N-OE2 2.99Å; T272-E275 PolarHBondContact O-N 3.34Å; T272-E275 VanDerWaalsContact O-N 3.11Å; T272-E275 WeakPolarHBondContact OG1-CG 3.46Å; T272-E275 PolarHBondContact OG1-N 3.06Å; T272-E275 PolarHBondContact OG1-OE2 3.47Å; T272-L276 PolarHBondContact O-N 3.46Å
273P87.3Confident88.7Confident83 Ų8361.4 Ų61.454%0.53933%0.327SS..Hα-helixtrans-57.6-30.317621.8-33.6000112.5A277P273-A277 WeakPolarHBondContact O-CB 3.46Å; P273-A277 PolarHBondContact O-N 3.34Å
274E87.9Confident88.8Confident159 Ų15967.3 Ų67.374%0.74334%0.344SS*.Hα-helixtrans-66.8-45.6175.3-62.1-179178.300112.2T272 A277 A278T272-E274 PolarHBondContact O-N 3.47Å; T272-E274 VanDerWaalsContact O-N 3.16Å; E274-A277 PolarHBondContact O-N 3.36Å; E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.37Å
275E87.4Confident89.1Confident23 Ų2368.2 Ų68.211%0.10734%0.344CS..Hα-helixtrans-64.8-41.5176.3-70.4169.7149.700111.1K227 I271 T272 A277 A278 V279 I302 A303K227-E275 WeakPolarHBondContact CE-OE1 3.42Å; K227-E275 IonicContact NZ-OE1 2.81Å; K227-E275 PolarHBondContact NZ-OE1 3.48Å; K227-E275 IonicContact NZ-OE2 2.63Å; K227-E275 PolarHBondContact NZ-OE2 3.48Å; I271-E275 HydrophobicContact CG2-CB 3.76Å; T272-E275 PolarHBondContact N-OE2 2.99Å; T272-E275 PolarHBondContact O-N 3.34Å; T272-E275 VanDerWaalsContact O-N 3.11Å; T272-E275 WeakPolarHBondContact OG1-CG 3.46Å; T272-E275 PolarHBondContact OG1-N 3.06Å; T272-E275 PolarHBondContact OG1-OE2 3.47Å; E275-A277 VanDerWaalsContact C-N 3.31Å; E275-A277 PolarHBondContact O-N 2.85Å; E275-A278 WeakPolarHBondContact O-CB 3.43Å; E275-A278 PolarHBondContact O-N 3.13Å; E275-V279 WeakPolarHBondContact O-CG2 3.32Å; E275-V279 PolarHBondContact O-N 3.05Å; E275-I302 HydrophobicContact CB-CG2 4.39Å; E275-I302 VanDerWaalsContact CD-CG2 3.5Å; E275-I302 HydrophobicContact CG-CG2 4.29Å; E275-I302 WeakPolarHBondContact OE1-CG2 3.49Å; E275-I302 WeakPolarHBondContact OE2-CG2 3.49Å; E275-A303 PolarHBondContact OE1-N 3.01Å
276L88.6Confident89.3Confident89 Ų8966.1 Ų66.147%0.46634%0.336SS..Hα-helixtrans-60.8-42.6175.5-171.771.3000111.1I271 T272 V279 A280I271-L276 HydrophobicContact CG2-CB 4.16Å; T272-L276 PolarHBondContact O-N 3.46Å; L276-V279 PolarHBondContact O-N 3.09Å; L276-A280 WeakPolarHBondContact O-CB 3.35Å; L276-A280 PolarHBondContact O-N 3.09Å
277A89.1Confident89.3Confident46 Ų4667.4 Ų67.438%0.3835%0.349SS..Hα-helixtrans-65.6-39.2175.500000112.2P273 E274 E275 A280 N281P273-A277 WeakPolarHBondContact O-CB 3.46Å; P273-A277 PolarHBondContact O-N 3.34Å; E274-A277 PolarHBondContact O-N 3.36Å; E275-A277 VanDerWaalsContact C-N 3.31Å; E275-A277 PolarHBondContact O-N 2.85Å; A277-A280 PolarHBondContact O-N 2.9Å; A277-N281 WeakPolarHBondContact O-CB 3.33Å; A277-N281 PolarHBondContact O-N 3.05Å; A277-N281 PolarHBondContact O-ND2 3.42Å
278A88.7Confident89.2Confident32 Ų3274.5 Ų74.526%0.26437%0.374SS..Hα-helixtrans-62.4-43.5176.200000111.6E274 E275 N281 F282 L301E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.37Å; E275-A278 WeakPolarHBondContact O-CB 3.43Å; E275-A278 PolarHBondContact O-N 3.13Å; A278-N281 PolarHBondContact O-N 2.9Å; A278-F282 WeakPolarHBondContact O-CB 3.47Å; A278-F282 PolarHBondContact O-N 3.07Å; A278-L301 HydrophobicContact CB-CD2 4.17Å
279V88.2Confident89Confident22 Ų2276.5 Ų76.513%0.13339%0.385CS..Hα-helixtrans-63.9-44.5173.7175.50000111.2E275 L276 N281 F282 I283 L294 L301 I302E275-V279 WeakPolarHBondContact O-CG2 3.32Å; E275-V279 PolarHBondContact O-N 3.05Å; L276-V279 PolarHBondContact O-N 3.09Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 3.22Å; V279-F282 WeakPolarHBondContact O-CB 3.45Å; V279-F282 PolarHBondContact O-N 2.86Å; V279-I283 HydrophobicContact CG1-CD1 4.03Å; V279-I283 WeakPolarHBondContact O-CG1 3.39Å; V279-I283 PolarHBondContact O-N 3.03Å; V279-L294 HydrophobicContact CG1-CD1 4.13Å; V279-L301 HydrophobicContact CG2-CB 4.12Å; V279-L301 HydrophobicContact CG2-CD1 4.06Å; V279-I302 HydrophobicContact CG2-CD1 4.43Å; V279-I302 HydrophobicContact CG2-CG1 4.27Å
280A89.9Confident89.1Confident31 Ų3177.3 Ų77.326%0.25639%0.394SS..Hα-helixtrans-61.6-4117700000112.3L276 A277 I283 R284L276-A280 WeakPolarHBondContact O-CB 3.35Å; L276-A280 PolarHBondContact O-N 3.09Å; A277-A280 PolarHBondContact O-N 2.9Å; A280-I283 PolarHBondContact O-N 3.46Å; A280-R284 VanDerWaalsContact O-CG 3.3Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 3.21Å
281N90.5Very high88.9Confident74 Ų7483.4 Ų83.440%0.39643%0.427SS..Hα-helixtrans-66-41176.8-73-22.8000111.7A277 A278 V279 I283 R284 Q285A277-N281 WeakPolarHBondContact O-CB 3.33Å; A277-N281 PolarHBondContact O-N 3.05Å; A277-N281 PolarHBondContact O-ND2 3.42Å; A278-N281 PolarHBondContact O-N 2.9Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 3.22Å; N281-I283 VanDerWaalsContact C-N 3.34Å; N281-I283 PolarHBondContact O-N 3.43Å; N281-R284 PolarHBondContact O-N 3.29Å; N281-Q285 WeakPolarHBondContact O-CB 3.48Å; N281-Q285 VanDerWaalsContact O-CG 3.25Å; N281-Q285 WeakPolarHBondContact O-CG 3.44Å; N281-Q285 PolarHBondContact O-N 3.02Å
282F88.7Confident88.9Confident28 Ų2886 Ų8612%0.12345%0.451CS..Hα-helixtrans-59-44.9174.3175.8-100.7000111.9A278 V279 Q285 R286 V289 L294 A297 L301A278-F282 WeakPolarHBondContact O-CB 3.47Å; A278-F282 PolarHBondContact O-N 3.07Å; V279-F282 WeakPolarHBondContact O-CB 3.45Å; V279-F282 PolarHBondContact O-N 2.86Å; F282-Q285 PolarHBondContact O-N 3.01Å; F282-R286 VanDerWaalsContact CE2-NH1 3.33Å; F282-R286 PolarHBondContact O-N 3.38Å; F282-V289 HydrophobicContact CE1-CG1 3.88Å; F282-L294 HydrophobicContact CD1-CD1 4.08Å; F282-L294 HydrophobicContact CE1-CD1 4.18Å; F282-A297 HydrophobicContact CD1-CB 4.15Å; F282-A297 HydrophobicContact CD2-CB 4.33Å; F282-A297 HydrophobicContact CE1-CB 3.56Å; F282-A297 HydrophobicContact CE2-CB 3.77Å; F282-A297 HydrophobicContact CG-CB 4.49Å; F282-A297 HydrophobicContact CZ-CB 3.34Å; F282-L301 HydrophobicContact CB-CD1 3.91Å; F282-L301 HydrophobicContact CD1-CD1 4.45Å; F282-L301 HydrophobicContact CG-CD1 4.07Å
283I90.5Very high88.8Confident68 Ų6887.7 Ų87.735%0.34946%0.456SS..Hα-helixtrans-64.2-45.4177-65.6167.7000110.7V279 A280 N281 Q285 R286 G287 L294V279-I283 HydrophobicContact CG1-CD1 4.03Å; V279-I283 WeakPolarHBondContact O-CG1 3.39Å; V279-I283 PolarHBondContact O-N 3.03Å; A280-I283 PolarHBondContact O-N 3.46Å; N281-I283 VanDerWaalsContact C-N 3.34Å; N281-I283 PolarHBondContact O-N 3.43Å; I283-Q285 PolarHBondContact O-N 2.96Å; I283-R286 PolarHBondContact O-N 3.04Å; I283-G287 WeakPolarHBondContact O-CA 3.24Å; I283-G287 PolarHBondContact O-N 2.97Å; I283-L294 HydrophobicContact CD1-CD1 4.23Å; I283-L294 HydrophobicContact CG1-CD1 4.12Å
284R91.4Very high88.8Confident190 Ų19086.2 Ų86.272%0.71744%0.443SS*.Hα-helixtrans-63.4-39.7179.4-73.3173.8-174.5155.4-0.2112.9A280 N281A280-R284 VanDerWaalsContact O-CG 3.3Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 3.21Å; N281-R284 PolarHBondContact O-N 3.29Å
285Q89.9Confident88.7Confident166 Ų16681.2 Ų81.278%0.77643%0.429SS*.Hα-helixtrans-69.3-38.1-179.4-74.4174.67.700112.6N281 F282 I283N281-Q285 WeakPolarHBondContact O-CB 3.48Å; N281-Q285 VanDerWaalsContact O-CG 3.25Å; N281-Q285 WeakPolarHBondContact O-CG 3.44Å; N281-Q285 PolarHBondContact O-N 3.02Å; F282-Q285 PolarHBondContact O-N 3.01Å; I283-Q285 PolarHBondContact O-N 2.96Å
286R86.4Confident88.5Confident147 Ų14787.3 Ų87.356%0.55546%0.458SS*.Hα-helixtrans-88-21.2179-71.5-148169.8139.15.7114.1F282 I283 R288 V289F282-R286 VanDerWaalsContact CE2-NH1 3.33Å; F282-R286 PolarHBondContact O-N 3.38Å; I283-R286 PolarHBondContact O-N 3.04Å; R286-R288 PolarHBondContact O-N 3.24Å; R286-V289 HydrophobicContact CB-CG2 3.7Å
287G87.8Confident88.3Confident51 Ų5183.8 Ų83.853%0.52644%0.441SS..SBendtrans71.6-84.8-176.500000111.7I283I283-G287 WeakPolarHBondContact O-CA 3.24Å; I283-G287 PolarHBondContact O-N 2.97Å
288R88.9Confident87.9Confident240 Ų24082.8 Ų82.891%0.90643%0.432SS*.SBendtrans-92.2116.3178.1-63.9-177.3-178.2-168.20.2109.3R286R286-R288 PolarHBondContact O-N 3.24Å
289V89Confident87.6Confident41 Ų4187.9 Ų87.925%0.24846%0.455CS..  trans-122.3131.3-178.8-172.50000109F282 R286 E293 L294F282-V289 HydrophobicContact CE1-CG1 3.88Å; R286-V289 HydrophobicContact CB-CG2 3.7Å; V289-E293 HydrophobicContact CG1-CB 4.01Å; V289-L294 HydrophobicContact CG1-CB 4.04Å
290S90.3Very high87.2Confident50 Ų5091.9 Ų91.935%0.3548%0.484SS..  trans-77.8152.1172.168.30000110.8A292 E293 L294S290-A292 PolarHBondContact O-N 3.46Å; S290-E293 PolarHBondContact O-N 3.32Å; S290-E293 VanDerWaalsContact O-N 3.15Å; S290-E293 WeakPolarHBondContact OG-CB 3.24Å; S290-E293 VanDerWaalsContact OG-CD 3.26Å; S290-E293 VanDerWaalsContact OG-CG 3.27Å; S290-E293 WeakPolarHBondContact OG-CG 3.41Å; S290-E293 PolarHBondContact OG-N 3.46Å; S290-E293 PolarHBondContact OG-OE1 3.23Å; S290-L294 PolarHBondContact O-N 3.08Å
291I88.2Confident86.7Confident151 Ų15192.8 Ų92.877%0.77448%0.484SS*.Hα-helixtrans-57.7-35.8178.5-63.6167.7000111L294 A295I291-L294 PolarHBondContact O-N 3.1Å; I291-A295 WeakPolarHBondContact O-CB 3.44Å; I291-A295 PolarHBondContact O-N 3.36Å
292A89.1Confident86.2Confident74 Ų7490.3 Ų90.361%0.61247%0.47SS*.Hα-helixtrans-65.1-44.4177.700000112.5S290 A295 Q296S290-A292 PolarHBondContact O-N 3.46Å; A292-A295 PolarHBondContact O-N 3.46Å; A292-Q296 PolarHBondContact O-N 3.06Å
293E86.1Confident85.2Confident77 Ų7791.3 Ų91.336%0.3648%0.483SS..Hα-helixtrans-66.2-39.4175.7-76.2164.9-123.500112V289 S290 Q296 A297V289-E293 HydrophobicContact CG1-CB 4.01Å; S290-E293 PolarHBondContact O-N 3.32Å; S290-E293 VanDerWaalsContact O-N 3.15Å; S290-E293 WeakPolarHBondContact OG-CB 3.24Å; S290-E293 VanDerWaalsContact OG-CD 3.26Å; S290-E293 VanDerWaalsContact OG-CG 3.27Å; S290-E293 WeakPolarHBondContact OG-CG 3.41Å; S290-E293 PolarHBondContact OG-N 3.46Å; S290-E293 PolarHBondContact OG-OE1 3.23Å; E293-Q296 PolarHBondContact O-N 3.46Å; E293-A297 WeakPolarHBondContact O-CB 3.34Å; E293-A297 PolarHBondContact O-N 2.86Å
294L87.9Confident84Confident52 Ų5294.2 Ų94.227%0.27249%0.49SS..Hα-helixtrans-63.2-46.1175.8-172.265.3000110.3V279 F282 I283 V289 S290 I291 Q296 A297 S298V279-L294 HydrophobicContact CG1-CD1 4.13Å; F282-L294 HydrophobicContact CD1-CD1 4.08Å; F282-L294 HydrophobicContact CE1-CD1 4.18Å; I283-L294 HydrophobicContact CD1-CD1 4.23Å; I283-L294 HydrophobicContact CG1-CD1 4.12Å; V289-L294 HydrophobicContact CG1-CB 4.04Å; S290-L294 PolarHBondContact O-N 3.08Å; I291-L294 PolarHBondContact O-N 3.1Å; L294-Q296 VanDerWaalsContact C-N 3.33Å; L294-Q296 PolarHBondContact O-N 2.82Å; L294-A297 PolarHBondContact O-N 3.32Å; L294-S298 VanDerWaalsContact O-CB 3.28Å; L294-S298 WeakPolarHBondContact O-CB 3.31Å; L294-S298 PolarHBondContact O-N 3.13Å; L294-S298 PolarHBondContact O-OG 2.83Å
295A85.6Confident82.2Confident54 Ų5489.1 Ų89.145%0.44650%0.497SS..Hα-helixtrans-60-41.7177.100000112.3I291 A292 S298 N299I291-A295 WeakPolarHBondContact O-CB 3.44Å; I291-A295 PolarHBondContact O-N 3.36Å; A292-A295 PolarHBondContact O-N 3.46Å; A295-S298 PolarHBondContact O-N 3.49Å; A295-N299 PolarHBondContact O-N 3.3Å
296Q83.9Confident80.3Confident150 Ų15091.5 Ų91.570%0.70150%0.499SS*.Hα-helixtrans-65.4-41.4176.6-170.5178.51000112.1A292 E293 L294A292-Q296 PolarHBondContact O-N 3.06Å; E293-Q296 PolarHBondContact O-N 3.46Å; L294-Q296 VanDerWaalsContact C-N 3.33Å; L294-Q296 PolarHBondContact O-N 2.82Å
297A83.2Confident78.2Confident15 Ų1593.3 Ų93.312%0.12451%0.514CS..Hα-helixtrans-71.3-37.9177.200000112.1F282 E293 L294 N299 S300 L301F282-A297 HydrophobicContact CD1-CB 4.15Å; F282-A297 HydrophobicContact CD2-CB 4.33Å; F282-A297 HydrophobicContact CE1-CB 3.56Å; F282-A297 HydrophobicContact CE2-CB 3.77Å; F282-A297 HydrophobicContact CG-CB 4.49Å; F282-A297 HydrophobicContact CZ-CB 3.34Å; E293-A297 WeakPolarHBondContact O-CB 3.34Å; E293-A297 PolarHBondContact O-N 2.86Å; L294-A297 PolarHBondContact O-N 3.32Å; A297-N299 VanDerWaalsContact C-N 3.27Å; A297-N299 PolarHBondContact O-N 3.08Å; A297-S300 WeakPolarHBondContact O-CA 3.5Å; A297-S300 WeakPolarHBondContact O-CB 3.43Å; A297-S300 PolarHBondContact O-N 3.36Å; A297-L301 HydrophobicContact CB-CD1 4.13Å; A297-L301 VanDerWaalsContact O-CG 3.3Å; A297-L301 WeakPolarHBondContact O-CG 3.38Å; A297-L301 PolarHBondContact O-N 3.21Å
298S81.5Confident76.2Confident26 Ų2696.4 Ų96.418%0.18252%0.524CS..Hα-helixtrans-58.3-36.3179.7-70.60000112.5L294 A295 S300 L301 I302L294-S298 VanDerWaalsContact O-CB 3.28Å; L294-S298 WeakPolarHBondContact O-CB 3.31Å; L294-S298 PolarHBondContact O-N 3.13Å; L294-S298 PolarHBondContact O-OG 2.83Å; A295-S298 PolarHBondContact O-N 3.49Å; S298-S300 PolarHBondContact O-N 2.78Å; S298-L301 PolarHBondContact O-N 3.09Å; S298-I302 WeakPolarHBondContact O-CB 3.42Å; S298-I302 WeakPolarHBondContact O-CG1 3.44Å; S298-I302 PolarHBondContact O-N 3.29Å
299N81.9Confident74Confident139 Ų13990.7 Ų90.774%0.74352%0.519SS*.Hα-helixtrans-63.4-24.6174.8-68.9-22.5000113.4A295 A297A295-N299 PolarHBondContact O-N 3.3Å; A297-N299 VanDerWaalsContact C-N 3.27Å; A297-N299 PolarHBondContact O-N 3.08Å
300S80.1Confident71.7Confident106 Ų10693.4 Ų93.474%0.74155%0.545SS*.Hα-helixtrans-91.9-31.7175.5-56.10000112.5A297 S298A297-S300 WeakPolarHBondContact O-CA 3.5Å; A297-S300 WeakPolarHBondContact O-CB 3.43Å; A297-S300 PolarHBondContact O-N 3.36Å; S298-S300 PolarHBondContact O-N 2.78Å
301L78.9Confident69.4Low50 Ų50100 Ų10026%0.26257%0.571SS.*Hα-helixtrans-85.9-26.4-175.4-65.1172.4000113.1A278 V279 F282 A297 S298A278-L301 HydrophobicContact CB-CD2 4.17Å; V279-L301 HydrophobicContact CG2-CB 4.12Å; V279-L301 HydrophobicContact CG2-CD1 4.06Å; F282-L301 HydrophobicContact CB-CD1 3.91Å; F282-L301 HydrophobicContact CD1-CD1 4.45Å; F282-L301 HydrophobicContact CG-CD1 4.07Å; A297-L301 HydrophobicContact CB-CD1 4.13Å; A297-L301 VanDerWaalsContact O-CG 3.3Å; A297-L301 WeakPolarHBondContact O-CG 3.38Å; A297-L301 PolarHBondContact O-N 3.21Å; S298-L301 PolarHBondContact O-N 3.09Å
302I79.9Confident67Low22 Ų2297.1 Ų97.111%0.11357%0.569CS.*SBendtrans-116101.6-179.6-37.6178.3000107.3E275 V279 S298 W304E275-I302 HydrophobicContact CB-CG2 4.39Å; E275-I302 VanDerWaalsContact CD-CG2 3.5Å; E275-I302 HydrophobicContact CG-CG2 4.29Å; E275-I302 WeakPolarHBondContact OE1-CG2 3.49Å; E275-I302 WeakPolarHBondContact OE2-CG2 3.49Å; V279-I302 HydrophobicContact CG2-CD1 4.43Å; V279-I302 HydrophobicContact CG2-CG1 4.27Å; S298-I302 WeakPolarHBondContact O-CB 3.42Å; S298-I302 WeakPolarHBondContact O-CG1 3.44Å; S298-I302 PolarHBondContact O-N 3.29Å; I302-W304 PolarHBondContact O-N 2.96Å
303A68.4Low65.3Low48 Ų4899.8 Ų99.840%0.39758%0.58SS.*  trans-86.5109.9-175.400000109.8K227 E275 R306K227-A303 WeakPolarHBondContact CD-O 3.42Å; K227-A303 VanDerWaalsContact CE-O 3.27Å; K227-A303 WeakPolarHBondContact CE-O 3.43Å; E275-A303 PolarHBondContact OE1-N 3.01Å; A303-R306 HydrophobicContact CB-CB 4.49Å
304W64.7Low63.3Low129 Ų129104.3 Ų104.349%0.48963%0.631SS.*SBendtrans-103.7107.9177.5-56.513.2000107.2K227 V228 I269 I302K227-W304 HydrophobicContact CD-CB 4.09Å; K227-W304 VanDerWaalsContact CD-CD1 3.43Å; K227-W304 HydrophobicContact CD-CG 3.76Å; K227-W304 VanDerWaalsContact CE-NE1 3.28Å; V228-W304 HydrophobicContact CG2-CD2 4.01Å; V228-W304 HydrophobicContact CG2-CE3 3.52Å; V228-W304 HydrophobicContact CG2-CZ3 3.91Å; I269-W304 HydrophobicContact CB-CZ2 4.48Å; I269-W304 HydrophobicContact CD1-CH2 3.47Å; I269-W304 VanDerWaalsContact CD1-CH2 3.47Å; I269-W304 HydrophobicContact CD1-CZ2 4.1Å; I269-W304 HydrophobicContact CD1-CZ3 4.22Å; I269-W304 HydrophobicContact CG1-CH2 3.92Å; I269-W304 HydrophobicContact CG1-CZ2 4.35Å; I269-W304 HydrophobicContact CG1-CZ3 4.41Å; I269-W304 HydrophobicContact CG2-CH2 3.85Å; I269-W304 HydrophobicContact CG2-CZ2 3.4Å; I302-W304 PolarHBondContact O-N 2.96Å
305G54.4Low62.1Low84 Ų84107 Ų10787%0.86665%0.649SS**SBendtrans94.520.5179.500000116.8
306R49.5Very low60.9Low216 Ų216109.7 Ų109.782%0.81566%0.66SS**  trans-107130.5161.6-71.8-169.8-177.5-169.51.8109.1A303A303-R306 HydrophobicContact CB-CB 4.49Å
307E42.7Very low59.6Low185 Ų185107.5 Ų107.586%0.86466%0.657SS**PPolyproline II helixtrans-52.4141.7167.4-83.5176.6147.600109.6
308P46.4Very low58.2Low115 Ų115112.9 Ų112.975%0.74769%0.689SS**PPolyproline II helixtrans-55.6137.1173.424.8-32.3000108.4A310P308-A310 PolarHBondContact O-N 3.09Å
309P41.8Very low56.8Low121 Ų121118.4 Ų118.479%0.78672%0.72SS**PPolyproline II helixtrans-57.4120.7174.423.9-31.5000107.8Q311P309-Q311 PolarHBondContact O-N 2.86Å
310A40.9Very low55.1Low98 Ų98117 Ų11781%0.8172%0.719SS**PPolyproline II helixtrans-49.6117.3176.100000108.4P308 A312P308-A310 PolarHBondContact O-N 3.09Å; A310-A312 PolarHBondContact O-N 3.14Å
311Q42.6Very low53.3Low189 Ų189117.8 Ų117.888%0.88372%0.717SS**PPolyproline II helixtrans-57.1116.4175.4-68.3-177.118.900107.3P309P309-Q311 PolarHBondContact O-N 2.86Å
312A37.8Very low51.3Low90 Ų90123 Ų12374%0.74475%0.752SS**PPolyproline II helixtrans-61.5128.3174.800000108.1A310 A314A310-A312 PolarHBondContact O-N 3.14Å; A312-A314 PolarHBondContact O-N 2.94Å
313P52Low48.9Very low129 Ų129131.4 Ų131.484%0.83881%0.806SS**PPolyproline II helixtrans-64.9126.5176.527-32.3000108.8
314A46.1Very low47.2Very low173 Ų173139 Ų139100%1.4384%0.843SS**  trans-710168.200000111A312A312-A314 PolarHBondContact O-N 2.94Å

Retrieved 314 of 314 residues in 668.9 ms (Link to these results)