A0A5K4FC32_SCHMA Loading...

Prohibitin

AlphaFold DB , UniProt , Accession A0A5K4FC32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 274 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
1M54.6Low71.2Confident209 Ų209117.6 Ų117.6100%1.0363%0.634SS**  0-8.20-66.7-152.7-70.200115.1
2S60.2Low72.1Confident100 Ų100112.3 Ų112.370%0.69962%0.618SS**Hα-helixtrans-76.2-34.3-179.9-175.80000114.4S4 F6S2-S4 PolarHBondContact O-N 3.36Å; S2-F6 WeakPolarHBondContact O-CB 3.48Å; S2-F6 PolarHBondContact O-N 3.26Å
3A64.8Low73Confident71 Ų71105.7 Ų105.759%0.58759%0.591SS**Hα-helixtrans-71.8-32.6-173.600000115.5R7A3-R7 WeakPolarHBondContact O-CG 3.19Å; A3-R7 PolarHBondContact O-N 3.24Å
4S62.9Low73.9Confident84 Ų84105.2 Ų105.259%0.58759%0.592SS**Hα-helixtrans-74.9-38.9177.552.90000111.8S2 F6 R7 G8S2-S4 PolarHBondContact O-N 3.36Å; S4-F6 VanDerWaalsContact C-N 3.32Å; S4-R7 PolarHBondContact O-N 3.26Å; S4-G8 PolarHBondContact O-N 2.93Å
5L70.6Confident74.5Confident118 Ų118100.9 Ų100.962%0.61858%0.58SS**Hα-helixtrans-61.6-41.1170.7-74.7171.2000110.9G8 L9L5-G8 PolarHBondContact O-N 3.42Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 PolarHBondContact O-N 2.8Å
6F74.1Confident75.2Confident136 Ų136102.4 Ų102.460%0.59658%0.584SS**Hα-helixtrans-64.3-40.6175.5-169.8-99.7000113S2 S4 L9 T10S2-F6 WeakPolarHBondContact O-CB 3.48Å; S2-F6 PolarHBondContact O-N 3.26Å; S4-F6 VanDerWaalsContact C-N 3.32Å; F6-L9 PolarHBondContact O-N 2.96Å; F6-T10 HydrophobicContact CD1-CG2 3.92Å; F6-T10 HydrophobicContact CE1-CG2 3.55Å; F6-T10 HydrophobicContact CE2-CG2 4.34Å; F6-T10 HydrophobicContact CG-CG2 4.47Å; F6-T10 HydrophobicContact CZ-CG2 3.78Å; F6-T10 WeakPolarHBondContact O-CB 3.35Å; F6-T10 VanDerWaalsContact O-CG2 3.29Å; F6-T10 WeakPolarHBondContact O-CG2 3.18Å; F6-T10 PolarHBondContact O-N 3.13Å; F6-T10 PolarHBondContact O-OG1 3.38Å
7R75.8Confident75.7Confident184 Ų184103 Ų10369%0.69459%0.585SS**Hα-helixtrans-65.8-36.9174.4-74.7-179.1-178.1179.21.3112.7A3 S4 T10 K11A3-R7 WeakPolarHBondContact O-CG 3.19Å; A3-R7 PolarHBondContact O-N 3.24Å; S4-R7 PolarHBondContact O-N 3.26Å; R7-T10 VanDerWaalsContact CA-OG1 3.26Å; R7-T10 WeakPolarHBondContact CA-OG1 3.4Å; R7-T10 PolarHBondContact O-OG1 3.09Å; R7-K11 WeakPolarHBondContact O-CB 3.26Å; R7-K11 WeakPolarHBondContact O-CG 3.38Å; R7-K11 PolarHBondContact O-N 3.02Å; R7-K11 VanDerWaalsContact O-N 3.11Å
8G76.8Confident76Confident40 Ų4099.9 Ų99.941%0.41257%0.574SS.*Hα-helixtrans-65.1-47.8172.400000111.9S4 L5 T10 K11 A12S4-G8 PolarHBondContact O-N 2.93Å; L5-G8 PolarHBondContact O-N 3.42Å; G8-T10 PolarHBondContact O-N 3.45Å; G8-K11 PolarHBondContact O-N 3.39Å; G8-A12 VanDerWaalsContact O-CB 3.28Å; G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.08Å
9L79.4Confident76.2Confident127 Ų12797.4 Ų97.467%0.66557%0.566SS**Hα-helixtrans-63.7-38.3177.6-116.795.9000112.6L5 F6 G13L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 PolarHBondContact O-N 2.8Å; F6-L9 PolarHBondContact O-N 2.96Å; L9-G13 WeakPolarHBondContact O-CA 3.41Å; L9-G13 PolarHBondContact O-N 3.43Å
10T80Confident76.3Confident57 Ų5795.6 Ų95.635%0.3556%0.56SS.*Hα-helixtrans-70.2-42177.7450000111.5F6 R7 G8 G13 V14F6-T10 HydrophobicContact CD1-CG2 3.92Å; F6-T10 HydrophobicContact CE1-CG2 3.55Å; F6-T10 HydrophobicContact CE2-CG2 4.34Å; F6-T10 HydrophobicContact CG-CG2 4.47Å; F6-T10 HydrophobicContact CZ-CG2 3.78Å; F6-T10 WeakPolarHBondContact O-CB 3.35Å; F6-T10 VanDerWaalsContact O-CG2 3.29Å; F6-T10 WeakPolarHBondContact O-CG2 3.18Å; F6-T10 PolarHBondContact O-N 3.13Å; F6-T10 PolarHBondContact O-OG1 3.38Å; R7-T10 VanDerWaalsContact CA-OG1 3.26Å; R7-T10 WeakPolarHBondContact CA-OG1 3.4Å; R7-T10 PolarHBondContact O-OG1 3.09Å; G8-T10 PolarHBondContact O-N 3.45Å; T10-G13 PolarHBondContact O-N 2.91Å; T10-V14 WeakPolarHBondContact O-CB 3.4Å; T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 3.43Å; T10-V14 PolarHBondContact O-N 2.9Å
11K83.4Confident76.6Confident168 Ų16894.7 Ų94.773%0.7356%0.559SS**Hα-helixtrans-63.1-44.3172.6-73.2-179.1-179.7-172.50112R7 G8 G15R7-K11 WeakPolarHBondContact O-CB 3.26Å; R7-K11 WeakPolarHBondContact O-CG 3.38Å; R7-K11 PolarHBondContact O-N 3.02Å; R7-K11 VanDerWaalsContact O-N 3.11Å; G8-K11 PolarHBondContact O-N 3.39Å; K11-G15 PolarHBondContact O-N 3.26Å
12A82.9Confident77.8Confident54 Ų5488.9 Ų88.945%0.44653%0.531SS..Hα-helixtrans-64.3-41175.400000111.5G8 G15 L16G8-A12 VanDerWaalsContact O-CB 3.28Å; G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.08Å; A12-G15 PolarHBondContact O-N 3.34Å; A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 VanDerWaalsContact O-CG 3.29Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 2.94Å
13G83Confident78.6Confident26 Ų2688.9 Ų88.927%0.26852%0.522SS..Hα-helixtrans-65.5-46.8177.800000112.3L9 T10 G15 L16 L17L9-G13 WeakPolarHBondContact O-CA 3.41Å; L9-G13 PolarHBondContact O-N 3.43Å; T10-G13 PolarHBondContact O-N 2.91Å; G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.3Å; G13-L16 PolarHBondContact O-N 3.25Å; G13-L17 WeakPolarHBondContact O-CB 3.38Å; G13-L17 WeakPolarHBondContact O-CG 3.42Å; G13-L17 PolarHBondContact O-N 2.86Å
14V85.4Confident79.2Confident99 Ų9990 Ų9060%0.652%0.524SS*.Hα-helixtrans-62.4-41.3173.8173.30000110.7T10 L17 A18T10-V14 WeakPolarHBondContact O-CB 3.4Å; T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 3.43Å; T10-V14 PolarHBondContact O-N 2.9Å; V14-L17 PolarHBondContact O-N 3.46Å; V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.18Å; V14-A18 PolarHBondContact O-N 3.4Å
15G84Confident80Confident40 Ų4090.9 Ų90.941%0.41252%0.521SS..Hα-helixtrans-61.3-43.3174.800000113K11 A12 G13 A18 A19K11-G15 PolarHBondContact O-N 3.26Å; A12-G15 PolarHBondContact O-N 3.34Å; G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 3.3Å; G15-A18 PolarHBondContact O-N 3.45Å; G15-A19 WeakPolarHBondContact O-CB 3.44Å; G15-A19 PolarHBondContact O-N 3.44Å
16L85.3Confident80.6Confident125 Ų12586.7 Ų86.765%0.65450%0.501SS*.Hα-helixtrans-67.5-40.1176.3-76.3169.1000112.3A12 G13 A19 S20A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 VanDerWaalsContact O-CG 3.29Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 2.94Å; G13-L16 PolarHBondContact O-N 3.25Å; L16-A19 PolarHBondContact O-N 3.48Å; L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 3.48Å; L16-S20 PolarHBondContact O-OG 2.99Å
17L83.7Confident81.2Confident113 Ų11383.4 Ų83.459%0.59249%0.489SS*.Hα-helixtrans-66.7-38.9175.7-71174.3000112.1G13 V14 S20 S21G13-L17 WeakPolarHBondContact O-CB 3.38Å; G13-L17 WeakPolarHBondContact O-CG 3.42Å; G13-L17 PolarHBondContact O-N 2.86Å; V14-L17 PolarHBondContact O-N 3.46Å; L17-S20 WeakPolarHBondContact CA-OG 3.39Å; L17-S20 PolarHBondContact O-OG 3.43Å; L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.01Å; L17-S21 PolarHBondContact O-OG 3.17Å
18A81.6Confident81.7Confident48 Ų4875.7 Ų75.740%0.39746%0.46SS..Hα-helixtrans-65.9-45.5174.400000110.9V14 G15 S21 I22V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.18Å; V14-A18 PolarHBondContact O-N 3.4Å; G15-A18 PolarHBondContact O-N 3.45Å; A18-S21 PolarHBondContact O-N 2.77Å; A18-I22 WeakPolarHBondContact O-CD1 3.44Å; A18-I22 VanDerWaalsContact O-CG1 3.28Å; A18-I22 WeakPolarHBondContact O-CG1 3.37Å; A18-I22 PolarHBondContact O-N 3.16Å
19A78.7Confident82.2Confident51 Ų5179 Ų7942%0.42147%0.468SS..Hα-helixtrans-62.3-45.4176.800000111.8G15 L16 S21 I22 L23G15-A19 WeakPolarHBondContact O-CB 3.44Å; G15-A19 PolarHBondContact O-N 3.44Å; L16-A19 PolarHBondContact O-N 3.48Å; A19-S21 VanDerWaalsContact C-N 3.27Å; A19-S21 PolarHBondContact O-N 3.19Å; A19-I22 PolarHBondContact O-N 3.39Å; A19-I22 VanDerWaalsContact O-N 3.13Å; A19-L23 WeakPolarHBondContact O-CG 3.45Å; A19-L23 PolarHBondContact O-N 3.07Å; A19-L23 VanDerWaalsContact O-N 3.15Å
20S79.6Confident82.7Confident62 Ų6273.2 Ų73.243%0.43444%0.438SS..Hα-helixtrans-63.9-32.6178.970.10000112.7L16 L17 I22 P24L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 3.48Å; L16-S20 PolarHBondContact O-OG 2.99Å; L17-S20 WeakPolarHBondContact CA-OG 3.39Å; L17-S20 PolarHBondContact O-OG 3.43Å; S20-I22 VanDerWaalsContact C-N 3.33Å; S20-P24 WeakPolarHBondContact O-CD 3.46Å
21S80.9Confident83.2Confident77 Ų7775.5 Ų75.554%0.53845%0.448SS..Hα-helixtrans-70.6-27.8176-59.10000112.9L17 A18 A19L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.01Å; L17-S21 PolarHBondContact O-OG 3.17Å; A18-S21 PolarHBondContact O-N 2.77Å; A19-S21 VanDerWaalsContact C-N 3.27Å; A19-S21 PolarHBondContact O-N 3.19Å
22I80Confident83.5Confident86 Ų8668.8 Ų68.844%0.44143%0.426SS..Hα-helixtrans-85.8-30.2-178.7-64162.7000111.7A18 A19 S20 L25 V26A18-I22 WeakPolarHBondContact O-CD1 3.44Å; A18-I22 VanDerWaalsContact O-CG1 3.28Å; A18-I22 WeakPolarHBondContact O-CG1 3.37Å; A18-I22 PolarHBondContact O-N 3.16Å; A19-I22 PolarHBondContact O-N 3.39Å; A19-I22 VanDerWaalsContact O-N 3.13Å; S20-I22 VanDerWaalsContact C-N 3.33Å; I22-L25 WeakPolarHBondContact O-CB 3.5Å; I22-L25 PolarHBondContact O-N 3.27Å; I22-V26 HydrophobicContact CG2-CG2 3.57Å; I22-V26 WeakPolarHBondContact O-CG2 3.39Å; I22-V26 PolarHBondContact O-N 2.96Å; I22-V26 VanDerWaalsContact O-N 3.1Å
23L77.7Confident83.8Confident100 Ų10067.2 Ų67.252%0.52442%0.415SS..Hα-helixtrans-49.4-49.8179.7-73.7173.2000114.9A19 L25 V26 L27A19-L23 WeakPolarHBondContact O-CG 3.45Å; A19-L23 PolarHBondContact O-N 3.07Å; A19-L23 VanDerWaalsContact O-N 3.15Å; L23-L25 PolarHBondContact O-N 3.43Å; L23-V26 PolarHBondContact O-N 3.34Å; L23-L27 PolarHBondContact O-N 2.95Å; L23-L27 VanDerWaalsContact O-N 3.14Å
24P78Confident84.3Confident95 Ų9568 Ų6862%0.61741%0.412SS*.Hα-helixtrans-68.9-17.4179.527.4-35.4000113.6S20S20-P24 WeakPolarHBondContact O-CD 3.46Å
25L78.6Confident84.6Confident102 Ų10267.3 Ų67.353%0.53440%0.399SS..Hα-helixtrans-87.2-22.1176-62.7173.3000112.7I22 L23 P59I22-L25 WeakPolarHBondContact O-CB 3.5Å; I22-L25 PolarHBondContact O-N 3.27Å; L23-L25 PolarHBondContact O-N 3.43Å; L25-P59 HydrophobicContact CB-CB 4.13Å; L25-P59 HydrophobicContact CB-CG 4.46Å
26V83.2Confident84.9Confident31 Ų3165.4 Ų65.419%0.18838%0.379CS..Hα-helixtrans-88.9-32.6-179.6171.20000111.4I22 L23 F56 I57 P59I22-V26 HydrophobicContact CG2-CG2 3.57Å; I22-V26 WeakPolarHBondContact O-CG2 3.39Å; I22-V26 PolarHBondContact O-N 2.96Å; I22-V26 VanDerWaalsContact O-N 3.1Å; L23-V26 PolarHBondContact O-N 3.34Å; V26-F56 HydrophobicContact CG1-CB 4.28Å; V26-F56 HydrophobicContact CG1-CD1 3.81Å; V26-F56 CarbonylContact O-C 3.56Å; V26-F56 WeakPolarHBondContact O-CA 3.42Å; V26-I57 WeakPolarHBondContact CA-O 3.39Å; V26-I57 WeakPolarHBondContact CG1-O 3.35Å; V26-I57 VanDerWaalsContact O-CG1 3.23Å; V26-I57 WeakPolarHBondContact O-CG1 3.39Å; V26-I57 PolarHBondContact O-N 3.09Å; V26-P59 HydrophobicContact CG2-CG 4.06Å
27L86.4Confident85.2Confident67 Ų6759.4 Ų59.435%0.35135%0.348SS..EExtended strand (participates in β ladder)trans-88.8131.7-178.8-64.4175.2000110.8L23 T54 F56L23-L27 PolarHBondContact O-N 2.95Å; L23-L27 VanDerWaalsContact O-N 3.14Å; L27-T54 HydrophobicContact CB-CG2 4.45Å; L27-T54 HydrophobicContact CD2-CG2 3.9Å; L27-F56 HydrophobicContact CD2-CD1 3.54Å; L27-F56 HydrophobicContact CD2-CE1 3.34Å; L27-F56 HydrophobicContact CD2-CE2 4.42Å; L27-F56 HydrophobicContact CD2-CG 4.17Å; L27-F56 HydrophobicContact CD2-CZ 3.82Å; L27-F56 HydrophobicContact CG-CE1 4.49Å
28Y86.8Confident85.5Confident21 Ų2154.1 Ų54.18%0.08232%0.32CS..EExtended strand (participates in β ladder)trans-131.9147.5165.975.9-74.2000109.6V30 A36 H55 I57 P64Y28-V30 HydrophobicContact CD2-CG2 3.96Å; Y28-V30 HydrophobicContact CE2-CG2 3.48Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.48Å; Y28-A36 HydrophobicContact CE2-CB 3.86Å; Y28-H55 HydrophobicContact CD1-CB 3.96Å; Y28-H55 WeakPolarHBondContact CD1-O 3.2Å; Y28-H55 HydrophobicContact CE1-CB 3.22Å; Y28-H55 HydrophobicContact CE2-CB 4.12Å; Y28-H55 PolarHBondContact N-O 3.21Å; Y28-H55 PolarHBondContact O-N 2.94Å; Y28-H55 WeakPolarHBondContact OH-CB 3.45Å; Y28-I57 HydrophobicContact CD1-CB 4.14Å; Y28-I57 HydrophobicContact CD1-CD1 4.21Å; Y28-I57 HydrophobicContact CD1-CG1 3.84Å; Y28-I57 HydrophobicContact CD1-CG2 3.47Å; Y28-I57 VanDerWaalsContact CD1-CG2 3.47Å; Y28-I57 HydrophobicContact CE1-CB 4.24Å; Y28-I57 HydrophobicContact CE1-CG1 4.45Å; Y28-I57 HydrophobicContact CE1-CG2 3.2Å; Y28-I57 HydrophobicContact CG-CG2 4.5Å; Y28-P64 HydrophobicContact CD2-CB 3.94Å; Y28-P64 HydrophobicContact CD2-CG 4.13Å; Y28-P64 HydrophobicContact CE2-CB 3.85Å; Y28-P64 HydrophobicContact CE2-CG 4.5Å; Y28-P64 HydrophobicContact CG-CB 4.44Å; Y28-P64 HydrophobicContact CG-CG 4.24Å
29N88.6Confident85.9Confident109 Ų10955.7 Ų55.758%0.58332%0.318SS*.EExtended strand (participates in β ladder)trans-108.1135.5179.4-66.94.9000109.2T54N29-T54 WeakPolarHBondContact OD1-CB 3.43Å; N29-T54 WeakPolarHBondContact OD1-CG2 3.46Å; N29-T54 PolarHBondContact OD1-OG1 3.09Å
30V89.4Confident86.4Confident6 Ų653.9 Ų53.94%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-104.6120169.7-1770000107.5Y28 H34 A36 G51 G53Y28-V30 HydrophobicContact CD2-CG2 3.96Å; Y28-V30 HydrophobicContact CE2-CG2 3.48Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.48Å; V30-H34 HydrophobicContact CG1-CB 3.98Å; V30-H34 WeakPolarHBondContact CG1-O 3.12Å; V30-A36 HydrophobicContact CG2-CB 3.77Å; V30-G51 WeakPolarHBondContact CB-O 3.25Å; V30-G51 WeakPolarHBondContact CG1-O 3.23Å; V30-G53 PolarHBondContact N-O 3.04Å; V30-G53 PolarHBondContact O-N 2.88Å
31D89.7Confident86.7Confident106 Ų10659.2 Ų59.257%0.56731%0.312SS*.  trans-71.6160.4178.5-171.529.9000111.8G33 H34 R70D31-G33 PolarHBondContact O-N 2.9Å; D31-H34 WeakPolarHBondContact O-CB 3.29Å; D31-H34 PolarHBondContact O-N 3.3Å; D31-H34 VanDerWaalsContact O-N 3.09Å; D31-R70 IonicContact OD2-NH2 3.84Å
32G89.4Confident87Confident26 Ų2663.6 Ų63.627%0.26832%0.322SS..THydrogen-bonded Turntrans-57.9136.7176.400000111.9H34 E52 R70G32-H34 PolarHBondContact O-N 2.99Å; G32-H34 PolarHBondContact O-ND1 3.37Å; G32-E52 WeakPolarHBondContact CA-OE2 3.27Å; G32-R70 PolarHBondContact O-NH2 3.28Å
33G90.1Very high87.2Confident21 Ų2168.2 Ų68.222%0.21634%0.339CS..THydrogen-bonded Turntrans7212-17600000114.7D31 I69D31-G33 PolarHBondContact O-N 2.9Å; G33-I69 VanDerWaalsContact C-CG1 3.47Å; G33-I69 WeakPolarHBondContact O-CG1 3.37Å; G33-I69 PolarHBondContact O-N 3.49Å
34H93.2Very high87.7Confident44 Ų4464.7 Ų64.720%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-113.5157.4167.2-65.377.1000110.7V30 D31 G32 I66 F67V30-H34 HydrophobicContact CG1-CB 3.98Å; V30-H34 WeakPolarHBondContact CG1-O 3.12Å; D31-H34 WeakPolarHBondContact O-CB 3.29Å; D31-H34 PolarHBondContact O-N 3.3Å; D31-H34 VanDerWaalsContact O-N 3.09Å; G32-H34 PolarHBondContact O-N 2.99Å; G32-H34 PolarHBondContact O-ND1 3.37Å; H34-I66 HydrophobicContact CB-CG2 3.65Å; H34-F67 CarbonylContact C-O 3.25Å; H34-F67 WeakPolarHBondContact CA-O 3.32Å; H34-F67 WeakPolarHBondContact CB-O 3.45Å
35R92.1Very high88.1Confident83 Ų8361.3 Ų61.331%0.31330%0.304SS..EExtended strand (participates in β ladder)trans-133.7143.9169.7-71.7-142.2-173.6177.40.8111.2V49 R50 F67 I69 P100 L103R35-V49 HydrophobicContact CB-CG1 3.71Å; R35-V49 VanDerWaalsContact CD-CG1 3.46Å; R35-V49 HydrophobicContact CG-CG1 4.23Å; R35-R50 WeakPolarHBondContact CA-O 3.37Å; R35-F67 PolarHBondContact N-O 3.2Å; R35-F67 PolarHBondContact O-N 2.92Å; R35-I69 HydrophobicContact CB-CG2 4.16Å; R35-I69 HydrophobicContact CG-CD1 4.03Å; R35-I69 HydrophobicContact CG-CG1 4.43Å; R35-I69 HydrophobicContact CG-CG2 4.03Å; R35-P100 VanDerWaalsContact NH1-CB 3.27Å; R35-L103 HydrophobicContact CB-CD1 3.72Å
36A91.1Very high88.5Confident0 Ų060.9 Ų60.90%030%0.295CS..EExtended strand (participates in β ladder)trans-104.8127.6-179.900000111.6Y28 V30 R50 I65 I66Y28-A36 HydrophobicContact CE2-CB 3.86Å; V30-A36 HydrophobicContact CG2-CB 3.77Å; A36-R50 HydrophobicContact CB-CB 4.35Å; A36-R50 PolarHBondContact N-O 3.08Å; A36-R50 PolarHBondContact O-N 3.2Å; A36-I65 CarbonylContact C-O 3.58Å; A36-I65 WeakPolarHBondContact CA-O 3.34Å; A36-I66 HydrophobicContact CB-CG1 4.47Å
37V91.1Very high88.6Confident0 Ų064.9 Ų64.90%032%0.322CS..EExtended strand (participates in β ladder)trans-96.6128.5166.8177.60000108V45 I65 F67 L103 P104V37-V45 HydrophobicContact CG1-CG1 3.49Å; V37-V45 VanDerWaalsContact CG1-CG1 3.49Å; V37-I65 PolarHBondContact N-O 2.86Å; V37-I65 PolarHBondContact O-N 3.18Å; V37-F67 HydrophobicContact CB-CD2 4.4Å; V37-F67 HydrophobicContact CB-CE2 4.11Å; V37-F67 HydrophobicContact CG2-CD2 3.86Å; V37-F67 HydrophobicContact CG2-CE2 3.82Å; V37-L103 HydrophobicContact CG2-CB 3.74Å; V37-P104 HydrophobicContact CG1-CB 4.39Å; V37-P104 HydrophobicContact CG1-CG 4.45Å; V37-P104 HydrophobicContact CG2-CG 4.44Å
38I89.9Confident88.6Confident2 Ų265.2 Ų65.21%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-94.6121.5-177.8-58.3175000109.6R46 R50 Q62I38-R46 PolarHBondContact O-N 3.08Å; I38-R50 HydrophobicContact CD1-CG 3.85Å; I38-R50 HydrophobicContact CG1-CG 4.44Å; I38-Q62 HydrophobicContact CG2-CB 3.98Å; I38-Q62 HydrophobicContact CG2-CG 4.35Å
39F88.9Confident88.7Confident80 Ų8065.1 Ų65.135%0.35133%0.326SS..EExtended strand (participates in β ladder)trans-94.8113.2168.7-179.4-96.4000110.1V45 Q62 K63 I65F39-V45 HydrophobicContact CD2-CG2 3.76Å; F39-V45 HydrophobicContact CE2-CG2 4.42Å; F39-Q62 CarbonylContact O-C 3.49Å; F39-Q62 WeakPolarHBondContact O-CA 3.44Å; F39-K63 PolarHBondContact N-O 3.31Å; F39-K63 PolarHBondContact O-N 3.08Å; F39-I65 HydrophobicContact CB-CD1 4.27Å
40D89.1Confident88.8Confident14 Ų1463 Ų638%0.07531%0.31CS..EExtended strand (participates in β ladder)trans-89.2128.3170.6-71.9-12.6000109.7F42 K43 G44 R46 Q62D40-F42 PolarHBondContact O-N 2.77Å; D40-F42 VanDerWaalsContact O-N 3.14Å; D40-K43 HydrophobicContact CB-CB 4.12Å; D40-G44 WeakPolarHBondContact CB-O 3.42Å; D40-G44 PolarHBondContact N-O 2.96Å; D40-G44 VanDerWaalsContact O-CA 3.29Å; D40-G44 WeakPolarHBondContact O-CA 3.44Å; D40-G44 PolarHBondContact O-N 3.47Å; D40-R46 VanDerWaalsContact OD2-CD 3.28Å; D40-R46 WeakPolarHBondContact OD2-CD 3.49Å; D40-R46 WeakPolarHBondContact OD2-CG 3.42Å; D40-Q62 WeakPolarHBondContact OD1-CG 3.5Å; D40-Q62 PolarHBondContact OD1-NE2 3.23Å
41R85.7Confident88.8Confident174 Ų17464.1 Ų64.166%0.65732%0.322SS*.THydrogen-bonded Turntrans-57.1-30.8177.7-171.1-178.3-63.5-140.10.3113.7W60 V61R41-W60 PolarHBondContact NE-O 3.02Å; R41-W60 PolarHBondContact NH2-O 3.19Å; R41-V61 WeakPolarHBondContact CB-O 3.32Å; R41-V61 PolarHBondContact N-O 3.18Å
42F87.5Confident88.8Confident168 Ų16865.6 Ų65.674%0.73733%0.325SS*.THydrogen-bonded Turntrans-98.7-33.3-176.3-61.1-71.4000114.4D40 V61D40-F42 PolarHBondContact O-N 2.77Å; D40-F42 VanDerWaalsContact O-N 3.14Å; F42-V61 HydrophobicContact CD2-CG1 3.77Å; F42-V61 HydrophobicContact CE2-CG1 4Å; F42-V61 HydrophobicContact CE2-CG2 4.12Å
43K84.1Confident88.9Confident184 Ų18466 Ų6680%0.833%0.329SS*.THydrogen-bonded Turntrans-108-5.1-174.2-67.8-176.4178.8-179.40113.3D40D40-K43 HydrophobicContact CB-CB 4.12Å
44G88Confident88.9Confident26 Ų2668.8 Ų68.827%0.26834%0.342SS..EExtended strand (participates in β ladder)trans77.6-154-174.400000112.5D40 R46D40-G44 WeakPolarHBondContact CB-O 3.42Å; D40-G44 PolarHBondContact N-O 2.96Å; D40-G44 VanDerWaalsContact O-CA 3.29Å; D40-G44 WeakPolarHBondContact O-CA 3.44Å; D40-G44 PolarHBondContact O-N 3.47Å; G44-R46 PolarHBondContact O-N 3.33Å
45V87.4Confident88.7Confident23 Ų2368.4 Ų68.414%0.13934%0.341CS..EExtended strand (participates in β ladder)trans-74.1123.2-177.5177.10000109.8V37 F39 P104 Y107 Q108V37-V45 HydrophobicContact CG1-CG1 3.49Å; V37-V45 VanDerWaalsContact CG1-CG1 3.49Å; F39-V45 HydrophobicContact CD2-CG2 3.76Å; F39-V45 HydrophobicContact CE2-CG2 4.42Å; V45-P104 HydrophobicContact CG1-CB 3.93Å; V45-Y107 HydrophobicContact CG1-CD1 4.44Å; V45-Y107 HydrophobicContact CG2-CD1 3.65Å; V45-Y107 HydrophobicContact CG2-CE1 3.84Å; V45-Q108 HydrophobicContact CB-CG 3.94Å; V45-Q108 HydrophobicContact CG1-CG 4.28Å; V45-Q108 HydrophobicContact CG2-CG 3.95Å
46R86.3Confident88.5Confident93 Ų9371.4 Ų71.435%0.35136%0.356SS..EExtended strand (participates in β ladder)trans-73.2146.6176.3-63.1-168.773.8-177.10.2110.9I38 D40 G44 D48I38-R46 PolarHBondContact O-N 3.08Å; D40-R46 VanDerWaalsContact OD2-CD 3.28Å; D40-R46 WeakPolarHBondContact OD2-CD 3.49Å; D40-R46 WeakPolarHBondContact OD2-CG 3.42Å; G44-R46 PolarHBondContact O-N 3.33Å; R46-D48 VanDerWaalsContact C-N 3.26Å; R46-D48 PolarHBondContact O-N 3.48Å
47P85.1Confident88.4Confident115 Ų11572.3 Ų72.375%0.74736%0.361SS*.EExtended strand (participates in β ladder)trans-74.7-16178.230.7-36.1000113.4
48D86.8Confident88.2Confident74 Ų7476.9 Ų76.940%0.39638%0.384SS..EExtended strand (participates in β ladder)trans-81.9129.1-178.3-177.136.4000110.8R46 R50R46-D48 VanDerWaalsContact C-N 3.26Å; R46-D48 PolarHBondContact O-N 3.48Å; D48-R50 IonicContact OD2-CZ 3.28Å; D48-R50 IonicContact OD2-NE 3.68Å; D48-R50 PolarHBondContact OD2-NE 3.19Å; D48-R50 IonicContact OD2-NH2 2.88Å
49V89.6Confident87.8Confident20 Ų2078.4 Ų78.412%0.12139%0.394CS..EExtended strand (participates in β ladder)trans-106.2121.4-180-176.40000108.7R35 P100 L103 P104R35-V49 HydrophobicContact CB-CG1 3.71Å; R35-V49 VanDerWaalsContact CD-CG1 3.46Å; R35-V49 HydrophobicContact CG-CG1 4.23Å; V49-P100 WeakPolarHBondContact CG2-O 3.45Å; V49-L103 HydrophobicContact CG1-CD1 4.04Å; V49-L103 HydrophobicContact CG2-CB 4.34Å; V49-P104 VanDerWaalsContact CG2-CD 3.45Å; V49-P104 HydrophobicContact CG2-CG 3.5Å; V49-P104 VanDerWaalsContact CG2-CG 3.5Å
50R90.4Very high87.5Confident65 Ų6584.9 Ų84.925%0.24542%0.417CS..EExtended strand (participates in β ladder)trans-85.1132.5179.9-60-56.1-177.489.2-4.8110.8R35 A36 I38 D48R35-R50 WeakPolarHBondContact CA-O 3.37Å; A36-R50 HydrophobicContact CB-CB 4.35Å; A36-R50 PolarHBondContact N-O 3.08Å; A36-R50 PolarHBondContact O-N 3.2Å; I38-R50 HydrophobicContact CD1-CG 3.85Å; I38-R50 HydrophobicContact CG1-CG 4.44Å; D48-R50 IonicContact OD2-CZ 3.28Å; D48-R50 IonicContact OD2-NE 3.68Å; D48-R50 PolarHBondContact OD2-NE 3.19Å; D48-R50 IonicContact OD2-NH2 2.88Å
51G89.8Confident87.4Confident28 Ų2886.3 Ų86.329%0.28943%0.426SS..  trans-78.1-165.3177.300000112.7V30 H55V30-G51 WeakPolarHBondContact CB-O 3.25Å; V30-G51 WeakPolarHBondContact CG1-O 3.23Å; G51-H55 PolarHBondContact O-CE1 3.49Å
52E89.8Confident87.5Confident137 Ų13779.3 Ų79.364%0.6440%0.4SS*.SBendtrans-67.2152.417661.8-171.2-157.400112.6G32G32-E52 WeakPolarHBondContact CA-OE2 3.27Å
53G91.8Very high87.6Confident34 Ų3478.2 Ų78.235%0.35140%0.395SS..EExtended strand (participates in β ladder)trans111.9180178.500000114.8V30 H55V30-G53 PolarHBondContact N-O 3.04Å; V30-G53 PolarHBondContact O-N 2.88Å; G53-H55 PolarHBondContact O-ND1 3.02Å
54T89.9Confident87.8Confident80 Ų8071 Ų7149%0.49137%0.368SS..EExtended strand (participates in β ladder)trans-81.5124.5-179.7-59.40000110.9L27 N29L27-T54 HydrophobicContact CB-CG2 4.45Å; L27-T54 HydrophobicContact CD2-CG2 3.9Å; N29-T54 WeakPolarHBondContact OD1-CB 3.43Å; N29-T54 WeakPolarHBondContact OD1-CG2 3.46Å; N29-T54 PolarHBondContact OD1-OG1 3.09Å
55H88.6Confident87.9Confident37 Ų3770.9 Ų70.917%0.17136%0.36CS..EExtended strand (participates in β ladder)trans-125.3155.3-177.9-69.787.7000110.8Y28 G51 G53Y28-H55 HydrophobicContact CD1-CB 3.96Å; Y28-H55 WeakPolarHBondContact CD1-O 3.2Å; Y28-H55 HydrophobicContact CE1-CB 3.22Å; Y28-H55 HydrophobicContact CE2-CB 4.12Å; Y28-H55 PolarHBondContact N-O 3.21Å; Y28-H55 PolarHBondContact O-N 2.94Å; Y28-H55 WeakPolarHBondContact OH-CB 3.45Å; G51-H55 PolarHBondContact O-CE1 3.49Å; G53-H55 PolarHBondContact O-ND1 3.02Å
56F88.6Confident88.1Confident145 Ų14573.5 Ų73.564%0.63637%0.373SS*.EExtended strand (participates in β ladder)trans-97.3134.8177.7-60.8-96.3000110.5V26 L27V26-F56 HydrophobicContact CG1-CB 4.28Å; V26-F56 HydrophobicContact CG1-CD1 3.81Å; V26-F56 CarbonylContact O-C 3.56Å; V26-F56 WeakPolarHBondContact O-CA 3.42Å; L27-F56 HydrophobicContact CD2-CD1 3.54Å; L27-F56 HydrophobicContact CD2-CE1 3.34Å; L27-F56 HydrophobicContact CD2-CE2 4.42Å; L27-F56 HydrophobicContact CD2-CG 4.17Å; L27-F56 HydrophobicContact CD2-CZ 3.82Å; L27-F56 HydrophobicContact CG-CE1 4.49Å
57I87.5Confident88.4Confident19 Ų1969.4 Ų69.410%0.09736%0.357CS..  trans-124.8152.8171.250.5168000110.8V26 Y28 P59 Q62 P64V26-I57 WeakPolarHBondContact CA-O 3.39Å; V26-I57 WeakPolarHBondContact CG1-O 3.35Å; V26-I57 VanDerWaalsContact O-CG1 3.23Å; V26-I57 WeakPolarHBondContact O-CG1 3.39Å; V26-I57 PolarHBondContact O-N 3.09Å; Y28-I57 HydrophobicContact CD1-CB 4.14Å; Y28-I57 HydrophobicContact CD1-CD1 4.21Å; Y28-I57 HydrophobicContact CD1-CG1 3.84Å; Y28-I57 HydrophobicContact CD1-CG2 3.47Å; Y28-I57 VanDerWaalsContact CD1-CG2 3.47Å; Y28-I57 HydrophobicContact CE1-CB 4.24Å; Y28-I57 HydrophobicContact CE1-CG1 4.45Å; Y28-I57 HydrophobicContact CE1-CG2 3.2Å; Y28-I57 HydrophobicContact CG-CG2 4.5Å; I57-P59 VanDerWaalsContact O-CD 3.27Å; I57-P59 WeakPolarHBondContact O-CD 3.44Å; I57-Q62 HydrophobicContact CB-CB 4.35Å; I57-Q62 HydrophobicContact CG2-CB 4.38Å; I57-P64 HydrophobicContact CD1-CG 4.21Å
58I87.7Confident88.7Confident97 Ų9765.3 Ų65.350%0.49733%0.329SS..  trans-82.3112.2167.4-57.2169.3000107.9W60 V61 Q62I58-W60 PolarHBondContact O-N 2.86Å; I58-V61 HydrophobicContact CB-CB 4.35Å; I58-V61 HydrophobicContact CG2-CB 4.03Å; I58-V61 HydrophobicContact CG2-CG2 3.97Å; I58-V61 PolarHBondContact O-N 3.46Å; I58-Q62 HydrophobicContact CB-CG 4.14Å; I58-Q62 VanDerWaalsContact N-OE1 3.09Å; I58-Q62 PolarHBondContact O-N 3.34Å
59P80.9Confident88.9Confident34 Ų3463.5 Ų63.522%0.22132%0.319CS..THydrogen-bonded Turntrans-57.2140.8177.523-32.1000110L25 V26 I57 V61L25-P59 HydrophobicContact CB-CB 4.13Å; L25-P59 HydrophobicContact CB-CG 4.46Å; V26-P59 HydrophobicContact CG2-CG 4.06Å; I57-P59 VanDerWaalsContact O-CD 3.27Å; I57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-V61 PolarHBondContact O-N 3Å; P59-V61 VanDerWaalsContact O-N 3.11Å
60W82.2Confident89.1Confident216 Ų21668.6 Ų68.682%0.81834%0.336SS*.THydrogen-bonded Turntrans78.9-34.5179.1-43.5-10.4000116.3R41 I58R41-W60 PolarHBondContact NE-O 3.02Å; R41-W60 PolarHBondContact NH2-O 3.19Å; I58-W60 PolarHBondContact O-N 2.86Å
61V86.9Confident89.3Confident44 Ų4468.4 Ų68.427%0.26735%0.345SS..THydrogen-bonded Turntrans-85.1-40.8177.5-1780000111.2R41 F42 I58 P59R41-V61 WeakPolarHBondContact CB-O 3.32Å; R41-V61 PolarHBondContact N-O 3.18Å; F42-V61 HydrophobicContact CD2-CG1 3.77Å; F42-V61 HydrophobicContact CE2-CG1 4Å; F42-V61 HydrophobicContact CE2-CG2 4.12Å; I58-V61 HydrophobicContact CB-CB 4.35Å; I58-V61 HydrophobicContact CG2-CB 4.03Å; I58-V61 HydrophobicContact CG2-CG2 3.97Å; I58-V61 PolarHBondContact O-N 3.46Å; P59-V61 PolarHBondContact O-N 3Å; P59-V61 VanDerWaalsContact O-N 3.11Å
62Q89Confident89.5Confident27 Ų2771.5 Ų71.513%0.12635%0.348CS..EExtended strand (participates in β ladder)trans-112.7133.3-174.3-53.5-167.8-55.200110.5I38 F39 D40 I57 I58I38-Q62 HydrophobicContact CG2-CB 3.98Å; I38-Q62 HydrophobicContact CG2-CG 4.35Å; F39-Q62 CarbonylContact O-C 3.49Å; F39-Q62 WeakPolarHBondContact O-CA 3.44Å; D40-Q62 WeakPolarHBondContact OD1-CG 3.5Å; D40-Q62 PolarHBondContact OD1-NE2 3.23Å; I57-Q62 HydrophobicContact CB-CB 4.35Å; I57-Q62 HydrophobicContact CG2-CB 4.38Å; I58-Q62 HydrophobicContact CB-CG 4.14Å; I58-Q62 VanDerWaalsContact N-OE1 3.09Å; I58-Q62 PolarHBondContact O-N 3.34Å
63K88.5Confident89.8Confident144 Ų14469.3 Ų69.363%0.62635%0.346SS*.EExtended strand (participates in β ladder)trans-119.5118.4171.9-173.1178.4177.4-1770109.3F39F39-K63 PolarHBondContact N-O 3.31Å; F39-K63 PolarHBondContact O-N 3.08Å
64P89.7Confident89.8Confident34 Ų3472.9 Ų72.922%0.22135%0.348CS..EExtended strand (participates in β ladder)trans-74.6135.2172.730.6-32.6000110Y28 I57Y28-P64 HydrophobicContact CD2-CB 3.94Å; Y28-P64 HydrophobicContact CD2-CG 4.13Å; Y28-P64 HydrophobicContact CE2-CB 3.85Å; Y28-P64 HydrophobicContact CE2-CG 4.5Å; Y28-P64 HydrophobicContact CG-CB 4.44Å; Y28-P64 HydrophobicContact CG-CG 4.24Å; I57-P64 HydrophobicContact CD1-CG 4.21Å
65I89.9Confident90.1Very high22 Ų2273.5 Ų73.511%0.11335%0.349CS..EExtended strand (participates in β ladder)trans-116.5111.5173-56.1179000106.5A36 V37 F39 F67 Y107A36-I65 CarbonylContact C-O 3.58Å; A36-I65 WeakPolarHBondContact CA-O 3.34Å; V37-I65 PolarHBondContact N-O 2.86Å; V37-I65 PolarHBondContact O-N 3.18Å; F39-I65 HydrophobicContact CB-CD1 4.27Å; I65-F67 HydrophobicContact CB-CE2 4.27Å; I65-F67 HydrophobicContact CG2-CD2 4.24Å; I65-F67 HydrophobicContact CG2-CE2 3.57Å; I65-F67 HydrophobicContact CG2-CZ 3.99Å; I65-Y107 HydrophobicContact CD1-CD1 4.11Å; I65-Y107 HydrophobicContact CD1-CD2 4.42Å; I65-Y107 HydrophobicContact CD1-CE1 3.38Å; I65-Y107 HydrophobicContact CD1-CE2 3.7Å; I65-Y107 WeakPolarHBondContact CD1-OH 3.46Å; I65-Y107 HydrophobicContact CG2-CE2 4.41Å
66I91.5Very high90.3Very high78 Ų7872.1 Ų72.140%0.434%0.343SS..EExtended strand (participates in β ladder)trans-92.1124.3-173.7-55.5174.7000108.2H34 A36H34-I66 HydrophobicContact CB-CG2 3.65Å; A36-I66 HydrophobicContact CB-CG1 4.47Å
67F91.4Very high90.6Very high7 Ų770 Ų703%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-106.5141.7172.9-72.4-89.5000109.6H34 R35 V37 I65 L103 Y107 F112H34-F67 CarbonylContact C-O 3.25Å; H34-F67 WeakPolarHBondContact CA-O 3.32Å; H34-F67 WeakPolarHBondContact CB-O 3.45Å; R35-F67 PolarHBondContact N-O 3.2Å; R35-F67 PolarHBondContact O-N 2.92Å; V37-F67 HydrophobicContact CB-CD2 4.4Å; V37-F67 HydrophobicContact CB-CE2 4.11Å; V37-F67 HydrophobicContact CG2-CD2 3.86Å; V37-F67 HydrophobicContact CG2-CE2 3.82Å; I65-F67 HydrophobicContact CB-CE2 4.27Å; I65-F67 HydrophobicContact CG2-CD2 4.24Å; I65-F67 HydrophobicContact CG2-CE2 3.57Å; I65-F67 HydrophobicContact CG2-CZ 3.99Å; F67-L103 HydrophobicContact CB-CD1 4.3Å; F67-L103 HydrophobicContact CB-CD2 4.01Å; F67-L103 HydrophobicContact CD1-CD2 4.2Å; F67-L103 HydrophobicContact CD2-CD2 4.36Å; F67-L103 HydrophobicContact CG-CD2 3.93Å; F67-Y107 HydrophobicContact CE2-CD2 4.38Å; F67-Y107 HydrophobicContact CE2-CG 4.47Å; F67-Y107 AromaticContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CG 4.12Å; F67-F112 HydrophobicContact CE1-CD2 4.33Å
68D91.9Very high91Very high30 Ų3069.5 Ų69.516%0.1634%0.341CS..EExtended strand (participates in β ladder)trans-82.8128.3166.7-172.8-3.7000108.7R70 R72 P98D68-R70 WeakPolarHBondContact OD1-CB 3.34Å; D68-R70 WeakPolarHBondContact OD1-CD 3.48Å; D68-R70 WeakPolarHBondContact OD1-CG 3.44Å; D68-R70 PolarHBondContact OD1-N 2.88Å; D68-R72 VanDerWaalsContact CG-NH2 3.28Å; D68-R72 IonicContact OD2-CZ 3.3Å; D68-R72 VanDerWaalsContact OD2-CZ 3.31Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.36Å; D68-R72 IonicContact OD2-NH2 3Å; D68-R72 PolarHBondContact OD2-NH2 3.42Å; D68-P98 WeakPolarHBondContact O-CG 3.45Å
69I92.1Very high91.3Very high35 Ų3570.9 Ų70.918%0.17935%0.347CS..  trans-106.211.3178.159.4155.5000112.3G33 R35 P98 P100 L103G33-I69 VanDerWaalsContact C-CG1 3.47Å; G33-I69 WeakPolarHBondContact O-CG1 3.37Å; G33-I69 PolarHBondContact O-N 3.49Å; R35-I69 HydrophobicContact CB-CG2 4.16Å; R35-I69 HydrophobicContact CG-CD1 4.03Å; R35-I69 HydrophobicContact CG-CG1 4.43Å; R35-I69 HydrophobicContact CG-CG2 4.03Å; I69-P98 HydrophobicContact CG2-CG 4.29Å; I69-P100 HydrophobicContact CD1-CG 4.28Å; I69-P100 HydrophobicContact CG2-CG 4.38Å; I69-L103 HydrophobicContact CG2-CD1 4.05Å
70R93.8Very high91.9Very high127 Ų12770 Ų7048%0.47934%0.341SS..SBendtrans-77.1150.2175.8-62.1170.4-172.3-175.55.3110.9D31 G32 D68 R72D31-R70 IonicContact OD2-NH2 3.84Å; G32-R70 PolarHBondContact O-NH2 3.28Å; D68-R70 WeakPolarHBondContact OD1-CB 3.34Å; D68-R70 WeakPolarHBondContact OD1-CD 3.48Å; D68-R70 WeakPolarHBondContact OD1-CG 3.44Å; D68-R70 PolarHBondContact OD1-N 2.88Å; R70-R72 PolarHBondContact O-N 3.44Å
71S94.7Very high92.5Very high61 Ų6161.2 Ų61.243%0.42732%0.318SS..  trans-67.6127.9176.7-44.90000110.8F96 D166S71-F96 WeakPolarHBondContact CA-O 3.27Å; S71-D166 VanDerWaalsContact CB-OD2 3.26Å; S71-D166 WeakPolarHBondContact CB-OD2 3.3Å; S71-D166 PolarHBondContact OG-OD2 3.46Å
72R94.1Very high92.8Very high94 Ų9459.3 Ų59.336%0.35531%0.306SS..EExtended strand (participates in β ladder)trans-123.5138-179.3-66.9171.5177-171.2-7.5110.8D68 R70 F96 E115D68-R72 VanDerWaalsContact CG-NH2 3.28Å; D68-R72 IonicContact OD2-CZ 3.3Å; D68-R72 VanDerWaalsContact OD2-CZ 3.31Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.36Å; D68-R72 IonicContact OD2-NH2 3Å; D68-R72 PolarHBondContact OD2-NH2 3.42Å; R70-R72 PolarHBondContact O-N 3.44Å; R72-F96 HydrophobicContact CB-CE1 4.28Å; R72-F96 HydrophobicContact CB-CZ 4.32Å; R72-F96 PolarHBondContact N-O 3.35Å; R72-F96 VanDerWaalsContact O-CD1 3.28Å; R72-F96 WeakPolarHBondContact O-CD1 3.31Å; R72-F96 WeakPolarHBondContact O-CE1 3.19Å; R72-F96 PolarHBondContact O-N 3.01Å; R72-F96 VanDerWaalsContact O-N 3.13Å; R72-E115 IonicContact NH1-OE1 3.21Å; R72-E115 PolarHBondContact NH1-OE1 2.72Å
73P94.8Very high93.1Very high91 Ų9163.6 Ų63.659%0.59133%0.325SS*.EExtended strand (participates in β ladder)trans-79137.6174.230.9-32.3000111.3I94 L95P73-I94 CarbonylContact C-O 3.55Å; P73-I94 WeakPolarHBondContact CA-O 3.22Å; P73-L95 HydrophobicContact CB-CD2 3.73Å; P73-L95 HydrophobicContact CG-CD2 4.47Å
74R92.9Very high93.3Very high108 Ų10859.6 Ų59.641%0.40831%0.31SS..EExtended strand (participates in β ladder)trans-133.3131.8167.617667.8163.9177.8-5109.2V76 I94 F96R74-V76 HydrophobicContact CG-CG2 4.05Å; R74-I94 HydrophobicContact CB-CD1 4.15Å; R74-I94 HydrophobicContact CB-CG1 3.78Å; R74-I94 HydrophobicContact CG-CD1 4.28Å; R74-I94 HydrophobicContact CG-CG1 4.31Å; R74-I94 PolarHBondContact N-O 3.39Å; R74-I94 VanDerWaalsContact O-CG1 3.27Å; R74-I94 WeakPolarHBondContact O-CG1 3.49Å; R74-I94 PolarHBondContact O-N 3.37Å; R74-F96 HydrophobicContact CB-CD1 4.18Å; R74-F96 HydrophobicContact CB-CE1 3.7Å
75N94.5Very high93.4Very high93 Ų9365.4 Ų65.450%0.49734%0.339SS..EExtended strand (participates in β ladder)trans-101.4126.9173.5-64.3-34.2000108.6T91 L92 R93N75-T91 HydrophobicContact CB-CG2 4.26Å; N75-L92 CarbonylContact C-O 3.56Å; N75-L92 WeakPolarHBondContact CA-O 3.31Å; N75-R93 WeakPolarHBondContact OD1-CB 3.33Å; N75-R93 WeakPolarHBondContact OD1-CG 3.49Å
76V94.4Very high93.5Very high9 Ų967.6 Ų67.66%0.05535%0.349CS..EExtended strand (participates in β ladder)trans-119.8108.1177.7-174.50000108R74 V78 L92 I94 T123R74-V76 HydrophobicContact CG-CG2 4.05Å; V76-V78 HydrophobicContact CG1-CG2 3.95Å; V76-L92 PolarHBondContact N-O 2.97Å; V76-L92 PolarHBondContact O-N 2.89Å; V76-I94 HydrophobicContact CG2-CD1 4.45Å; V76-T123 HydrophobicContact CB-CG2 4Å; V76-T123 HydrophobicContact CG1-CG2 4.09Å; V76-T123 HydrophobicContact CG2-CG2 4.25Å
77P94.8Very high93.7Very high101 Ų10167.4 Ų67.466%0.65635%0.351SS*.EExtended strand (participates in β ladder)trans-77.1130.717231.3-31.9000109.6
78V95.1Very high93.8Very high7 Ų767.1 Ų67.14%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-132.2128.2179.9-179.90000109.4V76 I90 T124 L127 K128V76-V78 HydrophobicContact CG1-CG2 3.95Å; V78-I90 PolarHBondContact N-O 3.31Å; V78-I90 PolarHBondContact O-N 2.88Å; V78-T124 HydrophobicContact CG1-CG2 4.06Å; V78-T124 HydrophobicContact CG2-CG2 4.46Å; V78-L127 HydrophobicContact CB-CD2 3.66Å; V78-L127 HydrophobicContact CG1-CD2 4.11Å; V78-L127 HydrophobicContact CG2-CD2 3.79Å; V78-K128 HydrophobicContact CG1-CG 4.24Å
79M94.2Very high93.9Very high126 Ų12668.9 Ų68.962%0.62136%0.359SS*.EExtended strand (participates in β ladder)trans-97.5123.4168.6-176.5174.969.700108.7T87 N89M79-T87 HydrophobicContact CG-CG2 3.93Å; M79-T87 HydrophobicContact SD-CG2 4.2Å; M79-N89 WeakPolarHBondContact CB-OD1 3.15Å; M79-N89 WeakPolarHBondContact CG-OD1 3.41Å
80T93.8Very high94.1Very high15 Ų1567.3 Ų67.39%0.09235%0.351CS..EExtended strand (participates in β ladder)trans-142.9160.4-178.2-171.90000111.6V88 I90 K128 V131T80-V88 PolarHBondContact N-O 3.33Å; T80-V88 PolarHBondContact O-N 2.92Å; T80-V88 VanDerWaalsContact O-O 3.09Å; T80-I90 HydrophobicContact CG2-CD1 4.26Å; T80-K128 WeakPolarHBondContact OG1-CG 3.27Å; T80-V131 HydrophobicContact CG2-CB 3.83Å; T80-V131 HydrophobicContact CG2-CG1 3.52Å; T80-V131 HydrophobicContact CG2-CG2 4.23Å
81G93.7Very high94.1Very high32 Ų3262.9 Ų62.933%0.3334%0.338SS..EExtended strand (participates in β ladder)trans-87.2142.6166.600000111.1Q86G81-Q86 CarbonylContact C-O 3.56Å; G81-Q86 VanDerWaalsContact CA-O 3.27Å; G81-Q86 WeakPolarHBondContact CA-O 3.37Å
82S94Very high94.1Very high4 Ų460 Ų603%0.02832%0.318CS..  trans-80.9174.7162.646.70000111.1D84 L85 Q86 F134S82-D84 VanDerWaalsContact CB-OD1 3.28Å; S82-D84 WeakPolarHBondContact CB-OD1 3.3Å; S82-D84 PolarHBondContact O-N 2.78Å; S82-D84 PolarHBondContact OG-OD1 2.82Å; S82-L85 WeakPolarHBondContact O-CA 3.36Å; S82-L85 PolarHBondContact O-N 3.36Å; S82-Q86 PolarHBondContact N-O 3.45Å; S82-Q86 WeakPolarHBondContact OG-CB 3.42Å; S82-Q86 PolarHBondContact OG-N 3Å; S82-Q86 PolarHBondContact OG-O 3.46Å; S82-F134 WeakPolarHBondContact CB-O 3.49Å
83K94.5Very high94.1Very high118 Ų11859 Ų5951%0.51331%0.314SS..THydrogen-bonded Turntrans-58.9-32.3-179.2179177.4158.5-146.40113.9L85 A132 Q133 F134 D135K83-L85 PolarHBondContact O-N 3.25Å; K83-A132 WeakPolarHBondContact CA-O 3.28Å; K83-A132 WeakPolarHBondContact CB-O 3.43Å; K83-Q133 WeakPolarHBondContact CD-O 3.27Å; K83-F134 VanDerWaalsContact CB-O 3.25Å; K83-F134 WeakPolarHBondContact CB-O 3.3Å; K83-F134 PolarHBondContact N-O 3.16Å; K83-D135 WeakPolarHBondContact CB-OD1 3.27Å; K83-D135 WeakPolarHBondContact CD-OD1 3.28Å; K83-D135 WeakPolarHBondContact CG-OD1 3.37Å; K83-D135 IonicContact NZ-OD1 2.67Å; K83-D135 IonicContact NZ-OD2 3.17Å; K83-D135 PolarHBondContact NZ-OD2 2.93Å
84D94Very high94.1Very high59 Ų5954.7 Ų54.732%0.31629%0.286SS..THydrogen-bonded Turntrans-84.413.7174.863.7-16.8000113.6S82 Q86 A136S82-D84 VanDerWaalsContact CB-OD1 3.28Å; S82-D84 WeakPolarHBondContact CB-OD1 3.3Å; S82-D84 PolarHBondContact O-N 2.78Å; S82-D84 PolarHBondContact OG-OD1 2.82Å; D84-Q86 PolarHBondContact O-N 3.31Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.38Å; D84-A136 WeakPolarHBondContact OD2-CB 3.49Å
85L91.9Very high94.2Very high157 Ų15751.6 Ų51.682%0.82228%0.277SS*.SBendtrans63.720.6179.3-52.3174.1000114.3S82 K83S82-L85 WeakPolarHBondContact O-CA 3.36Å; S82-L85 PolarHBondContact O-N 3.36Å; K83-L85 PolarHBondContact O-N 3.25Å
86Q92.4Very high94.3Very high68 Ų6847.3 Ų47.332%0.31826%0.255SS..  trans-78.6139.1170.9-62.5-62.4-32.100110.8G81 S82 D84 V88 A136 F179G81-Q86 CarbonylContact C-O 3.56Å; G81-Q86 VanDerWaalsContact CA-O 3.27Å; G81-Q86 WeakPolarHBondContact CA-O 3.37Å; S82-Q86 PolarHBondContact N-O 3.45Å; S82-Q86 WeakPolarHBondContact OG-CB 3.42Å; S82-Q86 PolarHBondContact OG-N 3Å; S82-Q86 PolarHBondContact OG-O 3.46Å; D84-Q86 PolarHBondContact O-N 3.31Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.38Å; Q86-V88 PolarHBondContact O-N 3Å; Q86-A136 HydrophobicContact CB-CB 4.2Å; Q86-A136 HydrophobicContact CG-CB 4.26Å; Q86-F179 HydrophobicContact CG-CD2 3.99Å; Q86-F179 HydrophobicContact CG-CE2 4.23Å
87T93.8Very high94.3Very high74 Ų7451.6 Ų51.645%0.45427%0.27SS..EExtended strand (participates in β ladder)trans-78.2123.4174.5-600000109.6M79 G176M79-T87 HydrophobicContact CG-CG2 3.93Å; M79-T87 HydrophobicContact SD-CG2 4.2Å; T87-G176 PolarHBondContact O-N 3.48Å
88V94.5Very high94.2Very high0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-121.7125.7179.9-164.30000109.6T80 Q86 I90 L139 I173 F175T80-V88 PolarHBondContact N-O 3.33Å; T80-V88 PolarHBondContact O-N 2.92Å; T80-V88 VanDerWaalsContact O-O 3.09Å; Q86-V88 PolarHBondContact O-N 3Å; V88-I90 HydrophobicContact CB-CG1 4.39Å; V88-I90 HydrophobicContact CG1-CD1 3.95Å; V88-I90 HydrophobicContact CG1-CG1 3.62Å; V88-L139 HydrophobicContact CG1-CD1 4.18Å; V88-L139 HydrophobicContact CG2-CD1 3.98Å; V88-I173 HydrophobicContact CG1-CG2 3.59Å; V88-F175 HydrophobicContact CG1-CD1 4.12Å; V88-F175 HydrophobicContact CG1-CE1 3.9Å; V88-F175 HydrophobicContact CG1-CZ 4.43Å; V88-F175 HydrophobicContact CG2-CD1 3.87Å; V88-F175 HydrophobicContact CG2-CE1 3.87Å
89N94.9Very high94.1Very high68 Ų6849.3 Ų49.336%0.36425%0.25SS..EExtended strand (participates in β ladder)trans-99.1111.3172.8-74.1-42.5000108.6M79 S174M79-N89 WeakPolarHBondContact CB-OD1 3.15Å; M79-N89 WeakPolarHBondContact CG-OD1 3.41Å; N89-S174 VanDerWaalsContact CB-OG 3.22Å; N89-S174 WeakPolarHBondContact CB-OG 3.32Å; N89-S174 PolarHBondContact N-O 3.47Å; N89-S174 PolarHBondContact O-N 3.33Å; N89-S174 PolarHBondContact O-OG 3.42Å; N89-S174 VanDerWaalsContact O-OG 3.09Å
90I94.8Very high93.9Very high2 Ų244.8 Ų44.81%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-117.1131.5-175.5-60.1177.8000109V78 T80 V88 L127 V131 L170 Q172 I173V78-I90 PolarHBondContact N-O 3.31Å; V78-I90 PolarHBondContact O-N 2.88Å; T80-I90 HydrophobicContact CG2-CD1 4.26Å; V88-I90 HydrophobicContact CB-CG1 4.39Å; V88-I90 HydrophobicContact CG1-CD1 3.95Å; V88-I90 HydrophobicContact CG1-CG1 3.62Å; I90-L127 HydrophobicContact CB-CD2 4.21Å; I90-L127 HydrophobicContact CG2-CD1 4.44Å; I90-L127 HydrophobicContact CG2-CD2 3.92Å; I90-V131 HydrophobicContact CD1-CB 4.48Å; I90-V131 HydrophobicContact CD1-CG1 4.1Å; I90-V131 HydrophobicContact CD1-CG2 3.58Å; I90-L170 HydrophobicContact CG2-CD2 3.49Å; I90-L170 VanDerWaalsContact CG2-CD2 3.49Å; I90-Q172 CarbonylContact C-O 3.6Å; I90-Q172 WeakPolarHBondContact CA-O 3.42Å; I90-I173 HydrophobicContact CG1-CG1 4.43Å; I90-I173 HydrophobicContact CG1-CG2 4.33Å
91T94.7Very high93.7Very high34 Ų3447.5 Ų47.521%0.20925%0.249CC..EExtended strand (participates in β ladder)trans-101.6120.2165.9-57.70000109.2N75 T171 Q172N75-T91 HydrophobicContact CB-CG2 4.26Å; T91-T171 WeakPolarHBondContact CB-OG1 3.34Å; T91-T171 WeakPolarHBondContact CG2-OG1 3.46Å; T91-T171 PolarHBondContact O-N 2.98Å; T91-T171 PolarHBondContact O-OG1 3.39Å; T91-T171 VanDerWaalsContact O-OG1 3.08Å; T91-Q172 PolarHBondContact N-O 3.14Å
92L94.4Very high93.6Very high0 Ų047.1 Ų47.10%024%0.241CC..EExtended strand (participates in β ladder)trans-98.6127.5173.8-165.875.1000109.7N75 V76 I94 T123 L127 V150 L154 I168 L170N75-L92 CarbonylContact C-O 3.56Å; N75-L92 WeakPolarHBondContact CA-O 3.31Å; V76-L92 PolarHBondContact N-O 2.97Å; V76-L92 PolarHBondContact O-N 2.89Å; L92-I94 HydrophobicContact CD2-CG2 3.6Å; L92-I94 HydrophobicContact CG-CG2 3.97Å; L92-T123 HydrophobicContact CB-CG2 4.42Å; L92-T123 HydrophobicContact CD2-CG2 3.4Å; L92-T123 VanDerWaalsContact CD2-CG2 3.4Å; L92-L127 HydrophobicContact CB-CD2 4.34Å; L92-V150 HydrophobicContact CD1-CG1 4.37Å; L92-V150 HydrophobicContact CD2-CG1 4.36Å; L92-L154 HydrophobicContact CD2-CD2 4.11Å; L92-I168 HydrophobicContact CD1-CG2 3.64Å; L92-I168 HydrophobicContact CD2-CG2 3.92Å; L92-I168 HydrophobicContact CG-CG2 3.99Å; L92-L170 HydrophobicContact CD1-CD2 3.46Å; L92-L170 VanDerWaalsContact CD1-CD2 3.46Å; L92-L170 HydrophobicContact CD1-CG 4.18Å
93R94.7Very high93.4Very high73 Ų7346.9 Ų46.928%0.27524%0.239SC..EExtended strand (participates in β ladder)trans-98120.2167.9-178.5177.169.479.210.7108.4N75 D167 A169 T171N75-R93 WeakPolarHBondContact OD1-CB 3.33Å; N75-R93 WeakPolarHBondContact OD1-CG 3.49Å; R93-D167 IonicContact CZ-OD2 3.97Å; R93-D167 IonicContact NH1-OD2 3.25Å; R93-D167 IonicContact NH2-OD2 3.86Å; R93-D167 PolarHBondContact NH2-OD2 2.68Å; R93-A169 PolarHBondContact N-O 3.36Å; R93-A169 PolarHBondContact O-N 3.01Å; R93-T171 HydrophobicContact CB-CG2 3.64Å
94I94.6Very high93.2Very high0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-112.7131.7175.658.7173.4000109.4P73 R74 V76 L92 F96 L119 L154 I168P73-I94 CarbonylContact C-O 3.55Å; P73-I94 WeakPolarHBondContact CA-O 3.22Å; R74-I94 HydrophobicContact CB-CD1 4.15Å; R74-I94 HydrophobicContact CB-CG1 3.78Å; R74-I94 HydrophobicContact CG-CD1 4.28Å; R74-I94 HydrophobicContact CG-CG1 4.31Å; R74-I94 PolarHBondContact N-O 3.39Å; R74-I94 VanDerWaalsContact O-CG1 3.27Å; R74-I94 WeakPolarHBondContact O-CG1 3.49Å; R74-I94 PolarHBondContact O-N 3.37Å; V76-I94 HydrophobicContact CG2-CD1 4.45Å; L92-I94 HydrophobicContact CD2-CG2 3.6Å; L92-I94 HydrophobicContact CG-CG2 3.97Å; I94-F96 HydrophobicContact CD1-CD1 4.36Å; I94-F96 HydrophobicContact CG1-CD1 4.35Å; I94-L119 HydrophobicContact CD1-CB 4.28Å; I94-L119 HydrophobicContact CD1-CD1 4.29Å; I94-L119 HydrophobicContact CD1-CD2 4.2Å; I94-L154 HydrophobicContact CG2-CD2 4.11Å; I94-I168 HydrophobicContact CG2-CG1 4.21Å; I94-I168 HydrophobicContact CG2-CG2 4.32Å
95L95.4Very high93.1Very high43 Ų4345.1 Ų45.123%0.22523%0.23CC..EExtended strand (participates in β ladder)trans-101.7113.3165.9-73.5175.6000107.5P73 L165 D166 D167P73-L95 HydrophobicContact CB-CD2 3.73Å; P73-L95 HydrophobicContact CG-CD2 4.47Å; L95-L165 WeakPolarHBondContact O-CA 3.4Å; L95-D166 HydrophobicContact CB-CB 4.45Å; L95-D166 PolarHBondContact O-N 3.33Å; L95-D167 HydrophobicContact CB-CB 4.15Å; L95-D167 HydrophobicContact CD1-CB 3.9Å; L95-D167 HydrophobicContact CG-CB 4.39Å; L95-D167 PolarHBondContact N-O 2.86Å
96F94.9Very high93Very high4 Ų437.9 Ų37.92%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-130.1157-174.474.1-82.8000111.4S71 R72 R74 I94 E115 L119 I163 L164 L165S71-F96 WeakPolarHBondContact CA-O 3.27Å; R72-F96 HydrophobicContact CB-CE1 4.28Å; R72-F96 HydrophobicContact CB-CZ 4.32Å; R72-F96 PolarHBondContact N-O 3.35Å; R72-F96 VanDerWaalsContact O-CD1 3.28Å; R72-F96 WeakPolarHBondContact O-CD1 3.31Å; R72-F96 WeakPolarHBondContact O-CE1 3.19Å; R72-F96 PolarHBondContact O-N 3.01Å; R72-F96 VanDerWaalsContact O-N 3.13Å; R74-F96 HydrophobicContact CB-CD1 4.18Å; R74-F96 HydrophobicContact CB-CE1 3.7Å; I94-F96 HydrophobicContact CD1-CD1 4.36Å; I94-F96 HydrophobicContact CG1-CD1 4.35Å; F96-E115 HydrophobicContact CE2-CB 4.34Å; F96-E115 HydrophobicContact CE2-CG 3.65Å; F96-E115 HydrophobicContact CZ-CB 4.24Å; F96-E115 HydrophobicContact CZ-CG 3.89Å; F96-E115 WeakPolarHBondContact CZ-OE2 3.43Å; F96-L119 HydrophobicContact CD1-CD1 3.77Å; F96-L119 HydrophobicContact CD2-CD1 3.67Å; F96-L119 HydrophobicContact CE1-CD1 3.71Å; F96-L119 HydrophobicContact CE2-CD1 3.61Å; F96-L119 HydrophobicContact CG-CD1 3.75Å; F96-L119 HydrophobicContact CZ-CD1 3.62Å; F96-I163 HydrophobicContact CB-CG2 4.14Å; F96-I163 HydrophobicContact CD2-CG2 4.27Å; F96-L164 CarbonylContact C-O 3.54Å; F96-L164 VanDerWaalsContact CA-O 3.3Å; F96-L164 WeakPolarHBondContact CA-O 3.14Å; F96-L165 HydrophobicContact CB-CD2 3.58Å
97R94.2Very high92.9Very high99 Ų9937.8 Ų37.837%0.37419%0.189SC..EExtended strand (participates in β ladder)trans-148.1149169.858.4-178165.3162.4-1.5110L164 D166R97-L164 HydrophobicContact CG-CB 4.05Å; R97-L164 PolarHBondContact N-O 3.4Å; R97-L164 PolarHBondContact O-N 3.08Å; R97-L164 VanDerWaalsContact O-O 3.11Å; R97-D166 IonicContact CZ-OD1 3.66Å; R97-D166 IonicContact CZ-OD2 2.85Å; R97-D166 IonicContact NE-OD1 2.82Å; R97-D166 PolarHBondContact NE-OD1 2.95Å; R97-D166 IonicContact NE-OD2 2.85Å; R97-D166 PolarHBondContact NE-OD2 3.01Å; R97-D166 IonicContact NH2-OD1 3.63Å; R97-D166 PolarHBondContact NH2-OD1 2.92Å
98P93.9Very high92.7Very high3 Ų339.7 Ų39.72%0.01919%0.192CC..EExtended strand (participates in β ladder)trans-71.4142.9175.329.5-33.4000110.7D68 I69 P100 L103 I106 Y114D68-P98 WeakPolarHBondContact O-CG 3.45Å; I69-P98 HydrophobicContact CG2-CG 4.29Å; P98-P100 WeakPolarHBondContact O-CD 3.39Å; P98-L103 HydrophobicContact CB-CD2 3.7Å; P98-L103 HydrophobicContact CG-CD2 4.03Å; P98-I106 HydrophobicContact CB-CD1 4.27Å; P98-Y114 HydrophobicContact CB-CE2 4.25Å; P98-Y114 WeakPolarHBondContact CD-OH 3.5Å
99E92.6Very high92.4Very high57 Ų5745.9 Ų45.927%0.26623%0.226SC..  trans-70.9123.3175.1-173.2-162.2178.400109.8S101 T102 L103 G162 L164E99-S101 PolarHBondContact O-N 2.92Å; E99-S101 VanDerWaalsContact O-N 3.09Å; E99-S101 PolarHBondContact OE1-OG 3.31Å; E99-S101 PolarHBondContact OE2-OG 3.32Å; E99-T102 WeakPolarHBondContact CB-OG1 3.22Å; E99-T102 PolarHBondContact O-N 3.19Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.28Å; E99-T102 PolarHBondContact OE2-OG1 3.13Å; E99-L103 PolarHBondContact O-N 2.95Å; E99-G162 VanDerWaalsContact CB-O 3.26Å; E99-G162 WeakPolarHBondContact CB-O 3.46Å; E99-G162 PolarHBondContact N-O 2.98Å; E99-L164 HydrophobicContact CB-CD1 4.13Å; E99-L164 HydrophobicContact CB-CD2 4.4Å; E99-L164 HydrophobicContact CB-CG 3.95Å; E99-L164 HydrophobicContact CG-CD1 4.16Å; E99-L164 HydrophobicContact CG-CD2 4.49Å; E99-L164 HydrophobicContact CG-CG 4.35Å
100P90.3Very high92Very high30 Ų3043.7 Ų43.720%0.19521%0.214CC..THydrogen-bonded Turntrans-65.1-19.5-173.5-23.133.1000115.7R35 V49 I69 P98R35-P100 VanDerWaalsContact NH1-CB 3.27Å; V49-P100 WeakPolarHBondContact CG2-O 3.45Å; I69-P100 HydrophobicContact CD1-CG 4.28Å; I69-P100 HydrophobicContact CG2-CG 4.38Å; P98-P100 WeakPolarHBondContact O-CD 3.39Å
101S89.7Confident91.7Very high72 Ų7244.6 Ų44.650%0.50322%0.224SC..THydrogen-bonded Turntrans-82.1-29.7-178.581.60000112.4E99E99-S101 PolarHBondContact O-N 2.92Å; E99-S101 VanDerWaalsContact O-N 3.09Å; E99-S101 PolarHBondContact OE1-OG 3.31Å; E99-S101 PolarHBondContact OE2-OG 3.32Å
102T90.3Very high91.2Very high24 Ų2449.4 Ų49.415%0.14724%0.242CC..THydrogen-bonded Turntrans-1050.7-174.252.20000113.5E99 P104 K105 I106 G162E99-T102 WeakPolarHBondContact CB-OG1 3.22Å; E99-T102 PolarHBondContact O-N 3.19Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.28Å; E99-T102 PolarHBondContact OE2-OG1 3.13Å; T102-P104 VanDerWaalsContact C-N 3.3Å; T102-P104 VanDerWaalsContact O-N 3.12Å; T102-K105 WeakPolarHBondContact O-CA 3.36Å; T102-K105 WeakPolarHBondContact O-CB 3.35Å; T102-K105 PolarHBondContact O-N 3.09Å; T102-I106 PolarHBondContact O-N 2.9Å; T102-G162 WeakPolarHBondContact OG1-CA 3.18Å
103L90.6Very high90.9Very high0 Ų053.4 Ų53.40%026%0.263CS..Hα-helixtrans-43.2-43.1174-78.2174.6000115.1R35 V37 V49 F67 I69 P98 E99 K105 I106 Y107R35-L103 HydrophobicContact CB-CD1 3.72Å; V37-L103 HydrophobicContact CG2-CB 3.74Å; V49-L103 HydrophobicContact CG1-CD1 4.04Å; V49-L103 HydrophobicContact CG2-CB 4.34Å; F67-L103 HydrophobicContact CB-CD1 4.3Å; F67-L103 HydrophobicContact CB-CD2 4.01Å; F67-L103 HydrophobicContact CD1-CD2 4.2Å; F67-L103 HydrophobicContact CD2-CD2 4.36Å; F67-L103 HydrophobicContact CG-CD2 3.93Å; I69-L103 HydrophobicContact CG2-CD1 4.05Å; P98-L103 HydrophobicContact CB-CD2 3.7Å; P98-L103 HydrophobicContact CG-CD2 4.03Å; E99-L103 PolarHBondContact O-N 2.95Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.37Å; L103-I106 PolarHBondContact O-N 3.49Å; L103-Y107 PolarHBondContact O-N 2.86Å
104P91Very high90.5Very high6 Ų650.1 Ų50.14%0.03925%0.251CS..Hα-helixtrans-62-38.1176.9-2536.7000112.9V37 V45 V49 T102 Q108V37-P104 HydrophobicContact CG1-CB 4.39Å; V37-P104 HydrophobicContact CG1-CG 4.45Å; V37-P104 HydrophobicContact CG2-CG 4.44Å; V45-P104 HydrophobicContact CG1-CB 3.93Å; V49-P104 VanDerWaalsContact CG2-CD 3.45Å; V49-P104 HydrophobicContact CG2-CG 3.5Å; V49-P104 VanDerWaalsContact CG2-CG 3.5Å; T102-P104 VanDerWaalsContact C-N 3.3Å; T102-P104 VanDerWaalsContact O-N 3.12Å; P104-Q108 WeakPolarHBondContact O-CB 3.37Å; P104-Q108 VanDerWaalsContact O-CG 3.23Å; P104-Q108 WeakPolarHBondContact O-CG 3.41Å; P104-Q108 PolarHBondContact O-N 3.44Å
105K90.6Very high90.2Very high134 Ų13452.5 Ų52.558%0.58326%0.262SS*.Hα-helixtrans-71.3-40.6177.7-64179.5179.1175.80111.3T102 L103 Y107 Q108 N109T102-K105 WeakPolarHBondContact O-CA 3.36Å; T102-K105 WeakPolarHBondContact O-CB 3.35Å; T102-K105 PolarHBondContact O-N 3.09Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.37Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; K105-Y107 PolarHBondContact O-N 3.44Å; K105-Q108 PolarHBondContact O-N 3.47Å; K105-N109 WeakPolarHBondContact O-CB 3.44Å; K105-N109 PolarHBondContact O-N 3.18Å
106I91.1Very high89.9Confident4 Ų457 Ų572%0.02128%0.282CS..Hα-helixtrans-57.8-50174.6-65172.1000109.3P98 T102 L103 Q108 N109 L110 G111 Y114 F161 G162P98-I106 HydrophobicContact CB-CD1 4.27Å; T102-I106 PolarHBondContact O-N 2.9Å; L103-I106 PolarHBondContact O-N 3.49Å; I106-Q108 PolarHBondContact O-N 2.88Å; I106-N109 PolarHBondContact O-N 3.35Å; I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CA 3.25Å; I106-L110 VanDerWaalsContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 2.91Å; I106-G111 PolarHBondContact O-N 3.42Å; I106-Y114 HydrophobicContact CG2-CD1 3.99Å; I106-Y114 HydrophobicContact CG2-CD2 4.03Å; I106-Y114 HydrophobicContact CG2-CG 3.62Å; I106-F161 WeakPolarHBondContact CG1-O 3.46Å; I106-G162 VanDerWaalsContact CD1-O 3.3Å; I106-G162 WeakPolarHBondContact CD1-O 3.43Å
107Y90Very high89.5Confident66 Ų6663.8 Ų63.826%0.25931%0.307SS..Hα-helixtrans-63.9-38.5179.7-177.7-111.2000113V45 I65 F67 L103 K105 G111V45-Y107 HydrophobicContact CG1-CD1 4.44Å; V45-Y107 HydrophobicContact CG2-CD1 3.65Å; V45-Y107 HydrophobicContact CG2-CE1 3.84Å; I65-Y107 HydrophobicContact CD1-CD1 4.11Å; I65-Y107 HydrophobicContact CD1-CD2 4.42Å; I65-Y107 HydrophobicContact CD1-CE1 3.38Å; I65-Y107 HydrophobicContact CD1-CE2 3.7Å; I65-Y107 WeakPolarHBondContact CD1-OH 3.46Å; I65-Y107 HydrophobicContact CG2-CE2 4.41Å; F67-Y107 HydrophobicContact CE2-CD2 4.38Å; F67-Y107 HydrophobicContact CE2-CG 4.47Å; F67-Y107 AromaticContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CD2 3.73Å; F67-Y107 HydrophobicContact CZ-CG 4.12Å; L103-Y107 PolarHBondContact O-N 2.86Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; K105-Y107 PolarHBondContact O-N 3.44Å; Y107-G111 WeakPolarHBondContact O-CA 3.44Å; Y107-G111 PolarHBondContact O-N 3.4Å
108Q88.8Confident89.3Confident114 Ų11459.6 Ų59.653%0.53329%0.293SS..Hα-helixtrans-67.1-43177.4-74.8174.42300113.1V45 P104 K105 I106V45-Q108 HydrophobicContact CB-CG 3.94Å; V45-Q108 HydrophobicContact CG1-CG 4.28Å; V45-Q108 HydrophobicContact CG2-CG 3.95Å; P104-Q108 WeakPolarHBondContact O-CB 3.37Å; P104-Q108 VanDerWaalsContact O-CG 3.23Å; P104-Q108 WeakPolarHBondContact O-CG 3.41Å; P104-Q108 PolarHBondContact O-N 3.44Å; K105-Q108 PolarHBondContact O-N 3.47Å; I106-Q108 PolarHBondContact O-N 2.88Å
109N89.6Confident89.2Confident131 Ų13159.5 Ų59.570%0.70129%0.292SS*.Hα-helixtrans-91.6-37.7-171.8-67.2-21.3000113.3K105 I106K105-N109 WeakPolarHBondContact O-CB 3.44Å; K105-N109 PolarHBondContact O-N 3.18Å; I106-N109 PolarHBondContact O-N 3.35Å
110L86.8Confident89.2Confident22 Ų2258.4 Ų58.412%0.11529%0.29CS..THydrogen-bonded Turntrans-110.7-25.3-169.6-58.4171.9000112.2I106 R117 V118 F161I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CA 3.25Å; I106-L110 VanDerWaalsContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 2.91Å; L110-R117 PolarHBondContact O-NH1 2.86Å; L110-V118 HydrophobicContact CD1-CG2 3.73Å; L110-V118 HydrophobicContact CD2-CG2 3.38Å; L110-V118 HydrophobicContact CG-CG2 4.13Å; L110-F161 HydrophobicContact CD1-CD1 4.47Å
111G87Confident89.3Confident21 Ų2160.5 Ų60.522%0.21631%0.305CS..  trans81.3-161.4-176.100000112.9I106 Y107I106-G111 PolarHBondContact O-N 3.42Å; Y107-G111 WeakPolarHBondContact O-CA 3.44Å; Y107-G111 PolarHBondContact O-N 3.4Å
112F84.8Confident89.5Confident135 Ų13557.6 Ų57.659%0.59228%0.284SS*.THydrogen-bonded Turntrans-71-34.8178.8-169.4-98.9000112F67 Y114F67-F112 HydrophobicContact CE1-CD2 4.33Å; F112-Y114 WeakPolarHBondContact O-CD1 3.42Å; F112-Y114 PolarHBondContact O-N 3Å; F112-Y114 VanDerWaalsContact O-N 3.12Å
113D87.6Confident89.7Confident83 Ų8356.5 Ų56.544%0.44428%0.277SS..THydrogen-bonded Turntrans-88.635.2-175.5-48.4-35.7000112.8E115 E116 R117D113-E115 PolarHBondContact O-N 3.16Å; D113-E116 PolarHBondContact O-N 3.38Å; D113-R117 PolarHBondContact O-N 2.79Å
114Y86.8Confident89.9Confident4 Ų458.3 Ų58.32%0.01629%0.288CS..Hα-helixtrans-59-34.5-178.975.3-82.7000111.8P98 I106 F112 V118 I163P98-Y114 HydrophobicContact CB-CE2 4.25Å; P98-Y114 WeakPolarHBondContact CD-OH 3.5Å; I106-Y114 HydrophobicContact CG2-CD1 3.99Å; I106-Y114 HydrophobicContact CG2-CD2 4.03Å; I106-Y114 HydrophobicContact CG2-CG 3.62Å; F112-Y114 WeakPolarHBondContact O-CD1 3.42Å; F112-Y114 PolarHBondContact O-N 3Å; F112-Y114 VanDerWaalsContact O-N 3.12Å; Y114-V118 PolarHBondContact O-N 2.94Å; Y114-V118 VanDerWaalsContact O-N 3.09Å; Y114-I163 HydrophobicContact CD2-CD1 4.02Å; Y114-I163 HydrophobicContact CD2-CG1 4.24Å; Y114-I163 HydrophobicContact CE2-CD1 4.32Å; Y114-I163 HydrophobicContact CE2-CG1 4.26Å
115E87.3Confident90.1Very high51 Ų5163.3 Ų63.324%0.23831%0.311CS..Hα-helixtrans-61.2-46.6178.5-55.4-176-17600111.6R72 F96 D113 L119 P120R72-E115 IonicContact NH1-OE1 3.21Å; R72-E115 PolarHBondContact NH1-OE1 2.72Å; F96-E115 HydrophobicContact CE2-CB 4.34Å; F96-E115 HydrophobicContact CE2-CG 3.65Å; F96-E115 HydrophobicContact CZ-CB 4.24Å; F96-E115 HydrophobicContact CZ-CG 3.89Å; F96-E115 WeakPolarHBondContact CZ-OE2 3.43Å; D113-E115 PolarHBondContact O-N 3.16Å; E115-L119 HydrophobicContact CB-CD1 4.19Å; E115-L119 VanDerWaalsContact O-CB 3.29Å; E115-L119 WeakPolarHBondContact O-CB 3.24Å; E115-L119 PolarHBondContact O-N 2.88Å; E115-P120 WeakPolarHBondContact O-CD 3.33Å
116E89Confident90.3Very high137 Ų13757.4 Ų57.464%0.6429%0.286SS*.Hα-helixtrans-77.9-28.8-176.5-63.9-166.4157.300113D113 P120D113-E116 PolarHBondContact O-N 3.38Å; E116-P120 WeakPolarHBondContact O-CD 3.32Å; E116-P120 WeakPolarHBondContact O-CG 3.34Å
117R87.5Confident90.5Very high147 Ų14757.2 Ų57.256%0.55529%0.285SS*.Hα-helixtrans-82.9-43.2-175.6-172.9168.1-67.9141.14.6113L110 D113 S121L110-R117 PolarHBondContact O-NH1 2.86Å; D113-R117 PolarHBondContact O-N 2.79Å; R117-S121 PolarHBondContact O-OG 2.91Å; R117-S121 VanDerWaalsContact O-OG 3.12Å
118V90.6Very high90.7Very high10 Ų1058.7 Ų58.76%0.06129%0.293CS..Hα-helixtrans-97.1-48.7-170.6-1780000111.8L110 Y114 S121 I122 F161 I163L110-V118 HydrophobicContact CD1-CG2 3.73Å; L110-V118 HydrophobicContact CD2-CG2 3.38Å; L110-V118 HydrophobicContact CG-CG2 4.13Å; Y114-V118 PolarHBondContact O-N 2.94Å; Y114-V118 VanDerWaalsContact O-N 3.09Å; V118-S121 WeakPolarHBondContact O-CB 3.35Å; V118-S121 PolarHBondContact O-N 2.94Å; V118-I122 HydrophobicContact CG1-CD1 4.19Å; V118-I122 HydrophobicContact CG1-CG1 4.5Å; V118-I122 HydrophobicContact CG1-CG2 3.9Å; V118-I122 WeakPolarHBondContact O-CG1 3.23Å; V118-I122 PolarHBondContact O-N 2.85Å; V118-F161 HydrophobicContact CG1-CB 4.18Å; V118-F161 HydrophobicContact CG1-CD1 3.9Å; V118-F161 HydrophobicContact CG1-CD2 3.76Å; V118-F161 HydrophobicContact CG1-CE1 4.2Å; V118-F161 HydrophobicContact CG1-CE2 4.08Å; V118-F161 HydrophobicContact CG1-CG 3.67Å; V118-F161 HydrophobicContact CG1-CZ 4.28Å; V118-F161 HydrophobicContact CG2-CD1 4.42Å; V118-I163 HydrophobicContact CG1-CD1 4.39Å
119L90.7Very high91.1Very high2 Ų255.7 Ų55.71%0.0129%0.288CS..Hα-helixtrans-58.3-51.2-170.7-67.1172.3000113.2I94 F96 E115 S121 I122 T123 I163I94-L119 HydrophobicContact CD1-CB 4.28Å; I94-L119 HydrophobicContact CD1-CD1 4.29Å; I94-L119 HydrophobicContact CD1-CD2 4.2Å; F96-L119 HydrophobicContact CD1-CD1 3.77Å; F96-L119 HydrophobicContact CD2-CD1 3.67Å; F96-L119 HydrophobicContact CE1-CD1 3.71Å; F96-L119 HydrophobicContact CE2-CD1 3.61Å; F96-L119 HydrophobicContact CG-CD1 3.75Å; F96-L119 HydrophobicContact CZ-CD1 3.62Å; E115-L119 HydrophobicContact CB-CD1 4.19Å; E115-L119 VanDerWaalsContact O-CB 3.29Å; E115-L119 WeakPolarHBondContact O-CB 3.24Å; E115-L119 PolarHBondContact O-N 2.88Å; L119-S121 PolarHBondContact O-N 2.86Å; L119-I122 HydrophobicContact CD2-CD1 4.32Å; L119-I122 WeakPolarHBondContact O-CG1 3.48Å; L119-I122 PolarHBondContact O-N 2.85Å; L119-T123 WeakPolarHBondContact O-CB 3.35Å; L119-T123 PolarHBondContact O-N 2.86Å; L119-T123 PolarHBondContact O-OG1 3.22Å; L119-I163 HydrophobicContact CD2-CD1 3.88Å; L119-I163 HydrophobicContact CD2-CG2 4.14Å; L119-I163 HydrophobicContact CG-CD1 4.25Å
120P92.7Very high91.3Very high34 Ų3449.5 Ų49.522%0.22125%0.254CS..Hα-helixtrans-61.1-35.5-178.6-22.835.3000112.4E115 E116 T124E115-P120 WeakPolarHBondContact O-CD 3.33Å; E116-P120 WeakPolarHBondContact O-CD 3.32Å; E116-P120 WeakPolarHBondContact O-CG 3.34Å; P120-T124 WeakPolarHBondContact O-CB 3.45Å; P120-T124 PolarHBondContact O-N 3Å; P120-T124 PolarHBondContact O-OG1 2.81Å
121S93Very high91.7Very high73 Ų7348.4 Ų48.451%0.5125%0.249SC..Hα-helixtrans-67.5-56.3-178.9-54.60000111.1R117 V118 L119 T123 T124 E125R117-S121 PolarHBondContact O-OG 2.91Å; R117-S121 VanDerWaalsContact O-OG 3.12Å; V118-S121 WeakPolarHBondContact O-CB 3.35Å; V118-S121 PolarHBondContact O-N 2.94Å; L119-S121 PolarHBondContact O-N 2.86Å; S121-T123 VanDerWaalsContact C-N 3.33Å; S121-T123 PolarHBondContact O-N 3.29Å; S121-T124 PolarHBondContact O-N 3.37Å; S121-E125 WeakPolarHBondContact O-CB 3.18Å; S121-E125 PolarHBondContact O-N 2.81Å
122I94.3Very high92Very high12 Ų1249.8 Ų49.86%0.06226%0.258CS..Hα-helixtrans-65.7-38-178.666173.9000111.6V118 L119 E125 V126 L154 A158 F161V118-I122 HydrophobicContact CG1-CD1 4.19Å; V118-I122 HydrophobicContact CG1-CG1 4.5Å; V118-I122 HydrophobicContact CG1-CG2 3.9Å; V118-I122 WeakPolarHBondContact O-CG1 3.23Å; V118-I122 PolarHBondContact O-N 2.85Å; L119-I122 HydrophobicContact CD2-CD1 4.32Å; L119-I122 WeakPolarHBondContact O-CG1 3.48Å; L119-I122 PolarHBondContact O-N 2.85Å; I122-E125 PolarHBondContact O-N 2.77Å; I122-V126 WeakPolarHBondContact O-CB 3.35Å; I122-V126 VanDerWaalsContact O-CG2 3.3Å; I122-V126 WeakPolarHBondContact O-CG2 3.4Å; I122-V126 PolarHBondContact O-N 2.82Å; I122-L154 HydrophobicContact CB-CD1 4.47Å; I122-L154 HydrophobicContact CD1-CD1 4.24Å; I122-L154 HydrophobicContact CG1-CD1 4.03Å; I122-A158 HydrophobicContact CD1-CB 4.04Å; I122-F161 HydrophobicContact CG2-CD2 4.27Å; I122-F161 HydrophobicContact CG2-CE2 3.73Å; I122-F161 HydrophobicContact CG2-CZ 4.42Å
123T94.5Very high92.5Very high1 Ų148.4 Ų48.41%0.00625%0.254CS..Hα-helixtrans-65.8-45178.8-67.20000110.9V76 L92 L119 S121 L127V76-T123 HydrophobicContact CB-CG2 4Å; V76-T123 HydrophobicContact CG1-CG2 4.09Å; V76-T123 HydrophobicContact CG2-CG2 4.25Å; L92-T123 HydrophobicContact CB-CG2 4.42Å; L92-T123 HydrophobicContact CD2-CG2 3.4Å; L92-T123 VanDerWaalsContact CD2-CG2 3.4Å; L119-T123 WeakPolarHBondContact O-CB 3.35Å; L119-T123 PolarHBondContact O-N 2.86Å; L119-T123 PolarHBondContact O-OG1 3.22Å; S121-T123 VanDerWaalsContact C-N 3.33Å; S121-T123 PolarHBondContact O-N 3.29Å; T123-L127 WeakPolarHBondContact O-CB 3.1Å; T123-L127 PolarHBondContact O-N 3.43Å
124T94.6Very high92.9Very high38 Ų3844.7 Ų44.723%0.23323%0.234CC..Hα-helixtrans-64.7-41.9178.3-60.60000111.4V78 P120 S121 K128V78-T124 HydrophobicContact CG1-CG2 4.06Å; V78-T124 HydrophobicContact CG2-CG2 4.46Å; P120-T124 WeakPolarHBondContact O-CB 3.45Å; P120-T124 PolarHBondContact O-N 3Å; P120-T124 PolarHBondContact O-OG1 2.81Å; S121-T124 PolarHBondContact O-N 3.37Å; T124-K128 HydrophobicContact CG2-CD 3.98Å; T124-K128 WeakPolarHBondContact O-CB 3.35Å; T124-K128 WeakPolarHBondContact O-CG 3.18Å; T124-K128 PolarHBondContact O-N 3.1Å; T124-K128 VanDerWaalsContact O-N 3.08Å
125E95Very high93.2Very high111 Ų11146.8 Ų46.852%0.51925%0.245SC..Hα-helixtrans-62.1-55.1178.1-175.3-171.8157.500111.6S121 I122 L127 K128 A129S121-E125 WeakPolarHBondContact O-CB 3.18Å; S121-E125 PolarHBondContact O-N 2.81Å; I122-E125 PolarHBondContact O-N 2.77Å; E125-L127 PolarHBondContact O-N 3.24Å; E125-K128 PolarHBondContact O-N 3.39Å; E125-A129 WeakPolarHBondContact O-CB 3.12Å; E125-A129 PolarHBondContact O-N 3.31Å
126V95.5Very high93.5Very high9 Ų944.3 Ų44.36%0.05523%0.234CC..Hα-helixtrans-63.1-44.6-178172.60000110.9I122 K128 A129 V130 D153 L154 R157I122-V126 WeakPolarHBondContact O-CB 3.35Å; I122-V126 VanDerWaalsContact O-CG2 3.3Å; I122-V126 WeakPolarHBondContact O-CG2 3.4Å; I122-V126 PolarHBondContact O-N 2.82Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.29Å; V126-A129 PolarHBondContact O-N 3.01Å; V126-V130 HydrophobicContact CG1-CG2 4.22Å; V126-V130 WeakPolarHBondContact O-CG2 3.33Å; V126-V130 PolarHBondContact O-N 3.45Å; V126-D153 HydrophobicContact CG1-CB 3.6Å; V126-L154 HydrophobicContact CB-CD1 4.15Å; V126-L154 HydrophobicContact CG1-CB 4.11Å; V126-L154 HydrophobicContact CG2-CD1 4.06Å; V126-R157 HydrophobicContact CG2-CB 4.41Å; V126-R157 HydrophobicContact CG2-CG 3.97Å
127L94.8Very high93.5Very high0 Ų041.1 Ų41.10%023%0.226CC..Hα-helixtrans-63-41.1-179.7-173.761.2000111.6V78 I90 L92 T123 E125 V131 V150 L170V78-L127 HydrophobicContact CB-CD2 3.66Å; V78-L127 HydrophobicContact CG1-CD2 4.11Å; V78-L127 HydrophobicContact CG2-CD2 3.79Å; I90-L127 HydrophobicContact CB-CD2 4.21Å; I90-L127 HydrophobicContact CG2-CD1 4.44Å; I90-L127 HydrophobicContact CG2-CD2 3.92Å; L92-L127 HydrophobicContact CB-CD2 4.34Å; T123-L127 WeakPolarHBondContact O-CB 3.1Å; T123-L127 PolarHBondContact O-N 3.43Å; E125-L127 PolarHBondContact O-N 3.24Å; L127-V131 HydrophobicContact CD1-CG2 3.72Å; L127-V131 HydrophobicContact CG-CG2 4.14Å; L127-V131 VanDerWaalsContact O-CB 3.24Å; L127-V131 WeakPolarHBondContact O-CB 3.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.93Å; L127-V150 HydrophobicContact CD1-CG2 3.96Å; L127-L170 HydrophobicContact CD1-CD2 3.95Å
128K94.9Very high93.8Very high97 Ų9736.9 Ų36.942%0.42221%0.213SC..Hα-helixtrans-62.2-43.7173.9-76176.9176.7-178.30111.8V78 T80 T124 E125 V126 A132V78-K128 HydrophobicContact CG1-CG 4.24Å; T80-K128 WeakPolarHBondContact OG1-CG 3.27Å; T124-K128 HydrophobicContact CG2-CD 3.98Å; T124-K128 WeakPolarHBondContact O-CB 3.35Å; T124-K128 WeakPolarHBondContact O-CG 3.18Å; T124-K128 PolarHBondContact O-N 3.1Å; T124-K128 VanDerWaalsContact O-N 3.08Å; E125-K128 PolarHBondContact O-N 3.39Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.29Å; K128-A132 VanDerWaalsContact O-CB 3.23Å; K128-A132 WeakPolarHBondContact O-CB 3.35Å; K128-A132 PolarHBondContact O-N 3.02Å; K128-A132 VanDerWaalsContact O-N 3.1Å
129A95.3Very high93.8Very high52 Ų5236.5 Ų36.543%0.4321%0.21SC..Hα-helixtrans-66-38.7-178.900000113.1E125 V126 Q133E125-A129 WeakPolarHBondContact O-CB 3.12Å; E125-A129 PolarHBondContact O-N 3.31Å; V126-A129 PolarHBondContact O-N 3.01Å; A129-Q133 WeakPolarHBondContact O-CG 3.39Å; A129-Q133 PolarHBondContact O-NE2 3.33Å
130V94.5Very high93.8Very high0 Ų040.8 Ų40.80%023%0.232CC..Hα-helixtrans-76.5-47178.7178.30000110.8V126 A132 Q133 F134 V146 R149 V150 D153V126-V130 HydrophobicContact CG1-CG2 4.22Å; V126-V130 WeakPolarHBondContact O-CG2 3.33Å; V126-V130 PolarHBondContact O-N 3.45Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.4Å; V130-Q133 WeakPolarHBondContact O-CB 3.34Å; V130-Q133 PolarHBondContact O-N 2.93Å; V130-F134 HydrophobicContact CG1-CD2 4.27Å; V130-F134 HydrophobicContact CG1-CE2 3.86Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V130-V146 HydrophobicContact CG1-CG1 4.38Å; V130-R149 HydrophobicContact CG1-CB 3.98Å; V130-V150 HydrophobicContact CB-CG2 3.88Å; V130-V150 HydrophobicContact CG1-CG2 3.75Å; V130-V150 HydrophobicContact CG2-CG2 4.14Å; V130-D153 WeakPolarHBondContact CG2-OD2 3.46Å
131V94.4Very high93.7Very high0 Ų044.5 Ų44.50%026%0.255CS..Hα-helixtrans-64.7-31.9-177.1175.10000111.9T80 I90 L127 Q133 F134 L139T80-V131 HydrophobicContact CG2-CB 3.83Å; T80-V131 HydrophobicContact CG2-CG1 3.52Å; T80-V131 HydrophobicContact CG2-CG2 4.23Å; I90-V131 HydrophobicContact CD1-CB 4.48Å; I90-V131 HydrophobicContact CD1-CG1 4.1Å; I90-V131 HydrophobicContact CD1-CG2 3.58Å; L127-V131 HydrophobicContact CD1-CG2 3.72Å; L127-V131 HydrophobicContact CG-CG2 4.14Å; L127-V131 VanDerWaalsContact O-CB 3.24Å; L127-V131 WeakPolarHBondContact O-CB 3.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.93Å; V131-Q133 PolarHBondContact O-N 2.9Å; V131-Q133 VanDerWaalsContact O-N 3.12Å; V131-F134 PolarHBondContact O-N 3.34Å; V131-F134 VanDerWaalsContact O-N 3.16Å; V131-L139 HydrophobicContact CG1-CD1 3.85Å; V131-L139 HydrophobicContact CG1-CD2 4.39Å
132A94.5Very high93.6Very high50 Ų5045.1 Ų45.141%0.41325%0.249SC..THydrogen-bonded Turntrans-63.4-13.8174.100000114.2K83 K128 V130K83-A132 WeakPolarHBondContact CA-O 3.28Å; K83-A132 WeakPolarHBondContact CB-O 3.43Å; K128-A132 VanDerWaalsContact O-CB 3.23Å; K128-A132 WeakPolarHBondContact O-CB 3.35Å; K128-A132 PolarHBondContact O-N 3.02Å; K128-A132 VanDerWaalsContact O-N 3.1Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.4Å
133Q95Very high93.5Very high105 Ų10549.1 Ų49.149%0.49126%0.263SS..THydrogen-bonded Turntrans-90.6-14.3178-60171.135.600113.4K83 A129 V130 V131K83-Q133 WeakPolarHBondContact CD-O 3.27Å; A129-Q133 WeakPolarHBondContact O-CG 3.39Å; A129-Q133 PolarHBondContact O-NE2 3.33Å; V130-Q133 WeakPolarHBondContact O-CB 3.34Å; V130-Q133 PolarHBondContact O-N 2.93Å; V131-Q133 PolarHBondContact O-N 2.9Å; V131-Q133 VanDerWaalsContact O-N 3.12Å
134F95.4Very high93.3Very high6 Ų655 Ų553%0.02629%0.291CS..SBendtrans-113147.3-175.6-69.7-85.4000111.6S82 K83 V130 V131 E138 L139 L145 V146S82-F134 WeakPolarHBondContact CB-O 3.49Å; K83-F134 VanDerWaalsContact CB-O 3.25Å; K83-F134 WeakPolarHBondContact CB-O 3.3Å; K83-F134 PolarHBondContact N-O 3.16Å; V130-F134 HydrophobicContact CG1-CD2 4.27Å; V130-F134 HydrophobicContact CG1-CE2 3.86Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V131-F134 PolarHBondContact O-N 3.34Å; V131-F134 VanDerWaalsContact O-N 3.16Å; F134-E138 WeakPolarHBondContact CA-OE2 3.43Å; F134-E138 HydrophobicContact CB-CB 4.48Å; F134-E138 HydrophobicContact CD1-CB 4.26Å; F134-E138 WeakPolarHBondContact CD1-OE2 3.48Å; F134-L139 HydrophobicContact CB-CD2 3.99Å; F134-L139 HydrophobicContact CB-CG 4.42Å; F134-L145 HydrophobicContact CE1-CD2 4.2Å; F134-L145 HydrophobicContact CZ-CG 4.46Å; F134-V146 HydrophobicContact CD1-CG2 4.04Å; F134-V146 HydrophobicContact CD2-CG1 4.38Å; F134-V146 HydrophobicContact CD2-CG2 3.95Å; F134-V146 HydrophobicContact CE1-CG2 4.01Å; F134-V146 HydrophobicContact CE2-CB 4.42Å; F134-V146 HydrophobicContact CE2-CG1 4.37Å; F134-V146 HydrophobicContact CE2-CG2 3.93Å; F134-V146 HydrophobicContact CG-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CG2 3.91Å
135D94.4Very high93.3Very high47 Ų4756.2 Ų56.225%0.25130%0.296SS..  trans-80154.7175-64.3-45.8000110.8K83 S137 E138 L139K83-D135 WeakPolarHBondContact CB-OD1 3.27Å; K83-D135 WeakPolarHBondContact CD-OD1 3.28Å; K83-D135 WeakPolarHBondContact CG-OD1 3.37Å; K83-D135 IonicContact NZ-OD1 2.67Å; K83-D135 IonicContact NZ-OD2 3.17Å; K83-D135 PolarHBondContact NZ-OD2 2.93Å; D135-S137 PolarHBondContact O-N 2.94Å; D135-E138 HydrophobicContact CB-CG 4.24Å; D135-E138 PolarHBondContact N-OE2 3.49Å; D135-E138 WeakPolarHBondContact O-CB 3.17Å; D135-E138 PolarHBondContact O-N 3.17Å; D135-L139 PolarHBondContact O-N 2.95Å; D135-L139 VanDerWaalsContact O-N 3.13Å
136A92.1Very high93.2Very high0 Ų050.9 Ų50.90%027%0.271CS..Hα-helixtrans-57.6-35.7-177.800000113D84 Q86 E138 L139 F175 F179D84-A136 WeakPolarHBondContact OD2-CB 3.49Å; Q86-A136 HydrophobicContact CB-CB 4.2Å; Q86-A136 HydrophobicContact CG-CB 4.26Å; A136-E138 VanDerWaalsContact C-N 3.34Å; A136-E138 PolarHBondContact O-N 3.45Å; A136-L139 PolarHBondContact O-N 3.41Å; A136-F175 HydrophobicContact CB-CD1 4.09Å; A136-F175 HydrophobicContact CB-CE1 3.78Å; A136-F179 HydrophobicContact CB-CE1 3.89Å; A136-F179 HydrophobicContact CB-CE2 4.14Å; A136-F179 HydrophobicContact CB-CZ 3.55Å
137S90.1Very high93Very high69 Ų6951 Ų5148%0.48327%0.272SS..Hα-helixtrans-67.1-31.6175.2-55.30000113.5D135 I140 T141D135-S137 PolarHBondContact O-N 2.94Å; S137-I140 PolarHBondContact O-N 3.09Å; S137-T141 PolarHBondContact O-N 3.02Å; S137-T141 PolarHBondContact O-OG1 3.31Å
138E92.8Very high92.9Very high59 Ų5955.3 Ų55.328%0.27629%0.292SS..Hα-helixtrans-73.5-34.6176.9-63.7177.8151.300110.9F134 D135 A136 I140 T141 Q142F134-E138 WeakPolarHBondContact CA-OE2 3.43Å; F134-E138 HydrophobicContact CB-CB 4.48Å; F134-E138 HydrophobicContact CD1-CB 4.26Å; F134-E138 WeakPolarHBondContact CD1-OE2 3.48Å; D135-E138 HydrophobicContact CB-CG 4.24Å; D135-E138 PolarHBondContact N-OE2 3.49Å; D135-E138 WeakPolarHBondContact O-CB 3.17Å; D135-E138 PolarHBondContact O-N 3.17Å; A136-E138 VanDerWaalsContact C-N 3.34Å; A136-E138 PolarHBondContact O-N 3.45Å; E138-I140 PolarHBondContact O-N 2.92Å; E138-T141 PolarHBondContact O-N 2.94Å; E138-Q142 CarbonylContact O-C 3.54Å; E138-Q142 WeakPolarHBondContact O-CA 3.48Å; E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 PolarHBondContact O-N 2.96Å
139L92.3Very high92.9Very high1 Ų155.2 Ų55.21%0.00529%0.289CS..Hα-helixtrans-62-27.6174.5-62.9176.4000112.8V88 V131 F134 D135 A136 V146 F175V88-L139 HydrophobicContact CG1-CD1 4.18Å; V88-L139 HydrophobicContact CG2-CD1 3.98Å; V131-L139 HydrophobicContact CG1-CD1 3.85Å; V131-L139 HydrophobicContact CG1-CD2 4.39Å; F134-L139 HydrophobicContact CB-CD2 3.99Å; F134-L139 HydrophobicContact CB-CG 4.42Å; D135-L139 PolarHBondContact O-N 2.95Å; D135-L139 VanDerWaalsContact O-N 3.13Å; A136-L139 PolarHBondContact O-N 3.41Å; L139-V146 HydrophobicContact CD2-CB 4.45Å; L139-V146 HydrophobicContact CD2-CG1 3.93Å; L139-V146 HydrophobicContact CD2-CG2 3.83Å; L139-F175 HydrophobicContact CB-CE1 4.45Å; L139-F175 HydrophobicContact CB-CZ 4.11Å; L139-F175 HydrophobicContact CD1-CE1 4.29Å
140I89.1Confident92.9Very high93 Ų9352.8 Ų52.848%0.47727%0.269SS..Hα-helixtrans-79.8-49.8175.8-60.6172.4000110.6S137 E138 F175S137-I140 PolarHBondContact O-N 3.09Å; E138-I140 PolarHBondContact O-N 2.92Å; I140-F175 HydrophobicContact CD1-CD2 4.4Å; I140-F175 HydrophobicContact CD1-CE2 3.75Å; I140-F175 HydrophobicContact CD1-CZ 4.02Å; I140-F175 HydrophobicContact CG1-CE2 3.49Å; I140-F175 VanDerWaalsContact CG1-CE2 3.49Å; I140-F175 HydrophobicContact CG1-CZ 3.55Å
141T90.7Very high92.9Very high112 Ų11255.6 Ų55.669%0.68728%0.284SS*.Hα-helixtrans-84.6-36-170.453.20000113.5S137 E138S137-T141 PolarHBondContact O-N 3.02Å; S137-T141 PolarHBondContact O-OG1 3.31Å; E138-T141 PolarHBondContact O-N 2.94Å
142Q92.6Very high92.9Very high86 Ų8662 Ų6240%0.40231%0.314SS..  trans-115.835.5-173.6-58.9-176.41.800112.4E138 E144 L145 V146E138-Q142 CarbonylContact O-C 3.54Å; E138-Q142 WeakPolarHBondContact O-CA 3.48Å; E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 PolarHBondContact O-N 2.96Å; Q142-E144 PolarHBondContact O-N 3.09Å; Q142-E144 VanDerWaalsContact O-N 3.11Å; Q142-L145 HydrophobicContact CB-CB 4.32Å; Q142-L145 WeakPolarHBondContact O-CB 3.47Å; Q142-L145 PolarHBondContact O-N 3.27Å; Q142-L145 VanDerWaalsContact O-N 3.07Å; Q142-V146 PolarHBondContact O-N 3.15Å
143R90.4Very high92.9Very high95 Ų9562.5 Ų62.536%0.35831%0.31SS..Hα-helixtrans-52.9-35.2-179.5-177.9177.9175.3166.7-4.7114.2V146 S147 L170 T171 I173R143-V146 PolarHBondContact O-N 2.93Å; R143-S147 WeakPolarHBondContact O-CB 3.4Å; R143-S147 PolarHBondContact O-N 2.8Å; R143-S147 PolarHBondContact O-OG 3.28Å; R143-L170 HydrophobicContact CG-CD1 4.19Å; R143-L170 VanDerWaalsContact NH2-C 3.25Å; R143-L170 PolarHBondContact NH2-O 2.95Å; R143-T171 VanDerWaalsContact NH2-CA 3.35Å; R143-T171 PolarHBondContact NH2-O 2.95Å; R143-I173 HydrophobicContact CG-CD1 4.09Å
144E92.1Very high92.9Very high124 Ų12457.6 Ų57.658%0.57929%0.287SS*.Hα-helixtrans-66-44.8179.4-176.254.3-144.600111.4Q142 V146 S147 Q148Q142-E144 PolarHBondContact O-N 3.09Å; Q142-E144 VanDerWaalsContact O-N 3.11Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 3.47Å; E144-S147 PolarHBondContact O-N 2.94Å; E144-Q148 WeakPolarHBondContact O-CG 3.37Å; E144-Q148 PolarHBondContact O-N 3.39Å; E144-Q148 PolarHBondContact OE1-NE2 2.96Å
145L92.8Very high92.9Very high64 Ų6459.9 Ų59.934%0.33530%0.301SS..Hα-helixtrans-61.7-40.6177.5-178.564.7000111.7F134 Q142 Q148 R149F134-L145 HydrophobicContact CE1-CD2 4.2Å; F134-L145 HydrophobicContact CZ-CG 4.46Å; Q142-L145 HydrophobicContact CB-CB 4.32Å; Q142-L145 WeakPolarHBondContact O-CB 3.47Å; Q142-L145 PolarHBondContact O-N 3.27Å; Q142-L145 VanDerWaalsContact O-N 3.07Å; L145-Q148 PolarHBondContact O-N 2.78Å; L145-R149 PolarHBondContact O-N 3.18Å; L145-R149 VanDerWaalsContact O-N 3.08Å
146V92.9Very high92.9Very high0 Ų064.2 Ų64.20%032%0.32CS..Hα-helixtrans-65.3-43.7176.7-177.90000110.2V130 F134 L139 Q142 R143 E144 Q148 R149 V150 L170V130-V146 HydrophobicContact CG1-CG1 4.38Å; F134-V146 HydrophobicContact CD1-CG2 4.04Å; F134-V146 HydrophobicContact CD2-CG1 4.38Å; F134-V146 HydrophobicContact CD2-CG2 3.95Å; F134-V146 HydrophobicContact CE1-CG2 4.01Å; F134-V146 HydrophobicContact CE2-CB 4.42Å; F134-V146 HydrophobicContact CE2-CG1 4.37Å; F134-V146 HydrophobicContact CE2-CG2 3.93Å; F134-V146 HydrophobicContact CG-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CG2 3.91Å; L139-V146 HydrophobicContact CD2-CB 4.45Å; L139-V146 HydrophobicContact CD2-CG1 3.93Å; L139-V146 HydrophobicContact CD2-CG2 3.83Å; Q142-V146 PolarHBondContact O-N 3.15Å; R143-V146 PolarHBondContact O-N 2.93Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 3.47Å; V146-Q148 VanDerWaalsContact C-N 3.31Å; V146-Q148 PolarHBondContact O-N 3.4Å; V146-R149 PolarHBondContact O-N 2.5Å; V146-V150 HydrophobicContact CG1-CG2 4.45Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.02Å; V146-V150 PolarHBondContact O-N 3.19Å; V146-L170 HydrophobicContact CB-CD1 4.3Å; V146-L170 HydrophobicContact CG1-CD1 4.03Å
147S92.6Very high93Very high12 Ų1270.5 Ų70.58%0.08434%0.344CS..Hα-helixtrans-61.5-39.7177.9-570000111.7R143 E144 V150 N151 L170R143-S147 WeakPolarHBondContact O-CB 3.4Å; R143-S147 PolarHBondContact O-N 2.8Å; R143-S147 PolarHBondContact O-OG 3.28Å; E144-S147 PolarHBondContact O-N 2.94Å; S147-V150 PolarHBondContact O-N 2.93Å; S147-N151 WeakPolarHBondContact O-CB 3.35Å; S147-N151 PolarHBondContact O-N 2.86Å; S147-L170 WeakPolarHBondContact OG-CD1 3.49Å
148Q93.2Very high93.2Very high90 Ų9067.2 Ų67.242%0.42132%0.321SS..Hα-helixtrans-64.7-46.5176.2-71.4172.310.800112.2E144 L145 V146 V150 N151 E152E144-Q148 WeakPolarHBondContact O-CG 3.37Å; E144-Q148 PolarHBondContact O-N 3.39Å; E144-Q148 PolarHBondContact OE1-NE2 2.96Å; L145-Q148 PolarHBondContact O-N 2.78Å; V146-Q148 VanDerWaalsContact C-N 3.31Å; V146-Q148 PolarHBondContact O-N 3.4Å; Q148-V150 PolarHBondContact O-N 2.87Å; Q148-N151 WeakPolarHBondContact O-CB 3.3Å; Q148-N151 PolarHBondContact O-N 3.39Å; Q148-N151 VanDerWaalsContact O-N 3.08Å; Q148-E152 PolarHBondContact O-N 3.5Å
149R93.8Very high93.2Very high95 Ų9567.9 Ų67.936%0.35833%0.332SS..Hα-helixtrans-62.1-42.6175.7-70.5-162.6-169.1156.46.7112.5V130 L145 V146 N151 E152 D153V130-R149 HydrophobicContact CG1-CB 3.98Å; L145-R149 PolarHBondContact O-N 3.18Å; L145-R149 VanDerWaalsContact O-N 3.08Å; V146-R149 PolarHBondContact O-N 2.5Å; R149-N151 PolarHBondContact O-N 3.34Å; R149-E152 PolarHBondContact O-N 3.43Å; R149-D153 PolarHBondContact O-N 3.24Å; R149-D153 VanDerWaalsContact O-N 3.13Å
150V95.3Very high93.2Very high1 Ų172.7 Ų72.71%0.00637%0.365CS..Hα-helixtrans-60.6-38.2174.1173.30000110.5L92 L127 V130 V146 S147 Q148 L154 I168L92-V150 HydrophobicContact CD1-CG1 4.37Å; L92-V150 HydrophobicContact CD2-CG1 4.36Å; L127-V150 HydrophobicContact CD1-CG2 3.96Å; V130-V150 HydrophobicContact CB-CG2 3.88Å; V130-V150 HydrophobicContact CG1-CG2 3.75Å; V130-V150 HydrophobicContact CG2-CG2 4.14Å; V146-V150 HydrophobicContact CG1-CG2 4.45Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.02Å; V146-V150 PolarHBondContact O-N 3.19Å; S147-V150 PolarHBondContact O-N 2.93Å; Q148-V150 PolarHBondContact O-N 2.87Å; V150-L154 WeakPolarHBondContact O-CB 3.43Å; V150-L154 PolarHBondContact O-N 2.84Å; V150-I168 HydrophobicContact CG1-CG2 4.15Å
151N94.5Very high93.3Very high59 Ų5972.3 Ų72.332%0.31636%0.361SS..Hα-helixtrans-63.6-49.5178.5-172.6-17.9000112S147 Q148 R149 T155 I168S147-N151 WeakPolarHBondContact O-CB 3.35Å; S147-N151 PolarHBondContact O-N 2.86Å; Q148-N151 WeakPolarHBondContact O-CB 3.3Å; Q148-N151 PolarHBondContact O-N 3.39Å; Q148-N151 VanDerWaalsContact O-N 3.08Å; R149-N151 PolarHBondContact O-N 3.34Å; N151-T155 WeakPolarHBondContact O-CB 3.36Å; N151-T155 PolarHBondContact O-N 2.94Å; N151-T155 PolarHBondContact O-OG1 2.96Å; N151-T155 PolarHBondContact OD1-OG1 3.04Å; N151-I168 HydrophobicContact CB-CD1 4.07Å
152E94.3Very high93.4Very high134 Ų13467.2 Ų67.263%0.62633%0.33SS*.Hα-helixtrans-58.1-52.6179-68.8172.9-17900111.7Q148 R149 T155 Q156Q148-E152 PolarHBondContact O-N 3.5Å; R149-E152 PolarHBondContact O-N 3.43Å; E152-T155 PolarHBondContact O-N 2.71Å; E152-Q156 WeakPolarHBondContact O-CB 3.45Å; E152-Q156 PolarHBondContact O-N 3.28Å
153D95Very high93.4Very high61 Ų6163.2 Ų63.233%0.32631%0.312SS..Hα-helixtrans-66.2-43.4-177.9-75.4-8.5000112V126 V130 R149 Q156 R157V126-D153 HydrophobicContact CG1-CB 3.6Å; V130-D153 WeakPolarHBondContact CG2-OD2 3.46Å; R149-D153 PolarHBondContact O-N 3.24Å; R149-D153 VanDerWaalsContact O-N 3.13Å; D153-Q156 PolarHBondContact O-N 3.28Å; D153-R157 VanDerWaalsContact O-CG 3.3Å; D153-R157 WeakPolarHBondContact O-CG 3.43Å; D153-R157 PolarHBondContact O-N 2.75Å
154L95.4Very high93.6Very high2 Ų261.5 Ų61.51%0.0131%0.309CS..Hα-helixtrans-70.8-37.2-178.1-169.862.3000111.2L92 I94 I122 V126 V150 R157 A158 L165 I168L92-L154 HydrophobicContact CD2-CD2 4.11Å; I94-L154 HydrophobicContact CG2-CD2 4.11Å; I122-L154 HydrophobicContact CB-CD1 4.47Å; I122-L154 HydrophobicContact CD1-CD1 4.24Å; I122-L154 HydrophobicContact CG1-CD1 4.03Å; V126-L154 HydrophobicContact CB-CD1 4.15Å; V126-L154 HydrophobicContact CG1-CB 4.11Å; V126-L154 HydrophobicContact CG2-CD1 4.06Å; V150-L154 WeakPolarHBondContact O-CB 3.43Å; V150-L154 PolarHBondContact O-N 2.84Å; L154-R157 PolarHBondContact O-N 2.79Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 2.9Å; L154-L165 HydrophobicContact CB-CD1 4.14Å; L154-L165 HydrophobicContact CD2-CD1 3.88Å; L154-L165 HydrophobicContact CG-CD1 3.55Å; L154-I168 HydrophobicContact CB-CD1 4.11Å; L154-I168 HydrophobicContact CD2-CD1 3.87Å; L154-I168 HydrophobicContact CD2-CG1 4.28Å; L154-I168 HydrophobicContact CG-CD1 4.34Å
155T94.6Very high93.7Very high53 Ų5356.7 Ų56.733%0.32529%0.287SS..Hα-helixtrans-64.9-42.5175.6-64.50000111.1N151 E152 R157 A158 S159N151-T155 WeakPolarHBondContact O-CB 3.36Å; N151-T155 PolarHBondContact O-N 2.94Å; N151-T155 PolarHBondContact O-OG1 2.96Å; N151-T155 PolarHBondContact OD1-OG1 3.04Å; E152-T155 PolarHBondContact O-N 2.71Å; T155-R157 PolarHBondContact O-N 2.84Å; T155-A158 PolarHBondContact O-N 2.83Å; T155-S159 VanDerWaalsContact O-CB 3.26Å; T155-S159 WeakPolarHBondContact O-CB 3.29Å; T155-S159 PolarHBondContact O-N 3.13Å
156Q94.5Very high93.7Very high138 Ų13856.8 Ų56.865%0.64529%0.288SS*.Hα-helixtrans-60.9-44.6175.4-172.8-178.18.100111.7E152 D153 S160E152-Q156 WeakPolarHBondContact O-CB 3.45Å; E152-Q156 PolarHBondContact O-N 3.28Å; D153-Q156 PolarHBondContact O-N 3.28Å; Q156-S160 PolarHBondContact O-OG 3.16Å
157R94.4Very high93.6Very high133 Ų13359.5 Ų59.550%0.50230%0.303SS..Hα-helixtrans-69.1-43.7178.6-68-65-175.1150.85.1112.5V126 D153 L154 T155 S159 S160 F161V126-R157 HydrophobicContact CG2-CB 4.41Å; V126-R157 HydrophobicContact CG2-CG 3.97Å; D153-R157 VanDerWaalsContact O-CG 3.3Å; D153-R157 WeakPolarHBondContact O-CG 3.43Å; D153-R157 PolarHBondContact O-N 2.75Å; L154-R157 PolarHBondContact O-N 2.79Å; T155-R157 PolarHBondContact O-N 2.84Å; R157-S159 PolarHBondContact O-N 3Å; R157-S160 WeakPolarHBondContact O-CB 3.5Å; R157-S160 PolarHBondContact O-N 3.49Å; R157-F161 VanDerWaalsContact O-CD2 3.32Å; R157-F161 WeakPolarHBondContact O-CD2 3.39Å
158A93.7Very high93.6Very high0 Ų059.3 Ų59.30%030%0.301CS..Hα-helixtrans-66-36.7-179.900000112.6I122 L154 T155 S160 F161 G162 I163 L165I122-A158 HydrophobicContact CD1-CB 4.04Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 2.9Å; T155-A158 PolarHBondContact O-N 2.83Å; A158-S160 PolarHBondContact O-N 3.08Å; A158-F161 PolarHBondContact O-N 2.63Å; A158-G162 PolarHBondContact O-N 3.12Å; A158-I163 CarbonylContact C-O 3.6Å; A158-I163 VanDerWaalsContact C-O 3.25Å; A158-I163 HydrophobicContact CB-CB 4.28Å; A158-I163 PolarHBondContact O-N 3Å; A158-L165 HydrophobicContact CB-CD1 3.68Å; A158-L165 HydrophobicContact CB-CD2 4.29Å; A158-L165 HydrophobicContact CB-CG 3.87Å
159S92.5Very high93.5Very high73 Ų7356.1 Ų56.151%0.5129%0.29SS..Hα-helixtrans-57.9-35.4175.5-178.20000112.4T155 R157 F161 G162 I163T155-S159 VanDerWaalsContact O-CB 3.26Å; T155-S159 WeakPolarHBondContact O-CB 3.29Å; T155-S159 PolarHBondContact O-N 3.13Å; R157-S159 PolarHBondContact O-N 3Å; S159-F161 PolarHBondContact O-N 3.17Å; S159-G162 PolarHBondContact O-N 3.1Å; S159-I163 PolarHBondContact N-O 3.3Å
160S92Very high93.4Very high101 Ų10152 Ų5271%0.70628%0.275SS*.THydrogen-bonded Turntrans-63.6-24176.4-58.80000113.4Q156 R157 A158Q156-S160 PolarHBondContact O-OG 3.16Å; R157-S160 WeakPolarHBondContact O-CB 3.5Å; R157-S160 PolarHBondContact O-N 3.49Å; A158-S160 PolarHBondContact O-N 3.08Å
161F92.4Very high93.1Very high85 Ų8554.8 Ų54.837%0.37329%0.292SS..THydrogen-bonded Turntrans-97.73.4176.1-65.3-78.6000113.3I106 L110 V118 I122 R157 A158 S159 I163I106-F161 WeakPolarHBondContact CG1-O 3.46Å; L110-F161 HydrophobicContact CD1-CD1 4.47Å; V118-F161 HydrophobicContact CG1-CB 4.18Å; V118-F161 HydrophobicContact CG1-CD1 3.9Å; V118-F161 HydrophobicContact CG1-CD2 3.76Å; V118-F161 HydrophobicContact CG1-CE1 4.2Å; V118-F161 HydrophobicContact CG1-CE2 4.08Å; V118-F161 HydrophobicContact CG1-CG 3.67Å; V118-F161 HydrophobicContact CG1-CZ 4.28Å; V118-F161 HydrophobicContact CG2-CD1 4.42Å; I122-F161 HydrophobicContact CG2-CD2 4.27Å; I122-F161 HydrophobicContact CG2-CE2 3.73Å; I122-F161 HydrophobicContact CG2-CZ 4.42Å; R157-F161 VanDerWaalsContact O-CD2 3.32Å; R157-F161 WeakPolarHBondContact O-CD2 3.39Å; A158-F161 PolarHBondContact O-N 2.63Å; S159-F161 PolarHBondContact O-N 3.17Å; F161-I163 VanDerWaalsContact C-N 3.34Å; F161-I163 HydrophobicContact CB-CD1 4.3Å; F161-I163 HydrophobicContact CB-CG1 4.38Å
162G92Very high92.8Very high5 Ų557.7 Ų57.75%0.05230%0.304CS..THydrogen-bonded Turntrans73.724.4-17600000113.5E99 T102 I106 A158 S159E99-G162 VanDerWaalsContact CB-O 3.26Å; E99-G162 WeakPolarHBondContact CB-O 3.46Å; E99-G162 PolarHBondContact N-O 2.98Å; T102-G162 WeakPolarHBondContact OG1-CA 3.18Å; I106-G162 VanDerWaalsContact CD1-O 3.3Å; I106-G162 WeakPolarHBondContact CD1-O 3.43Å; A158-G162 PolarHBondContact O-N 3.12Å; S159-G162 PolarHBondContact O-N 3.1Å
163I93.8Very high92.7Very high2 Ų252.9 Ų52.91%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-107.3128.7177.7-55.9171.2000108.7F96 Y114 V118 L119 A158 S159 F161 L165F96-I163 HydrophobicContact CB-CG2 4.14Å; F96-I163 HydrophobicContact CD2-CG2 4.27Å; Y114-I163 HydrophobicContact CD2-CD1 4.02Å; Y114-I163 HydrophobicContact CD2-CG1 4.24Å; Y114-I163 HydrophobicContact CE2-CD1 4.32Å; Y114-I163 HydrophobicContact CE2-CG1 4.26Å; V118-I163 HydrophobicContact CG1-CD1 4.39Å; L119-I163 HydrophobicContact CD2-CD1 3.88Å; L119-I163 HydrophobicContact CD2-CG2 4.14Å; L119-I163 HydrophobicContact CG-CD1 4.25Å; A158-I163 CarbonylContact C-O 3.6Å; A158-I163 VanDerWaalsContact C-O 3.25Å; A158-I163 HydrophobicContact CB-CB 4.28Å; A158-I163 PolarHBondContact O-N 3Å; S159-I163 PolarHBondContact N-O 3.3Å; F161-I163 VanDerWaalsContact C-N 3.34Å; F161-I163 HydrophobicContact CB-CD1 4.3Å; F161-I163 HydrophobicContact CB-CG1 4.38Å; I163-L165 HydrophobicContact CG2-CD2 4.19Å
164L94Very high92.6Very high59 Ų5951.9 Ų51.931%0.30928%0.28SS..EExtended strand (participates in β ladder)trans-96.9136.9174-57.9174.8000109.5F96 R97 E99F96-L164 CarbonylContact C-O 3.54Å; F96-L164 VanDerWaalsContact CA-O 3.3Å; F96-L164 WeakPolarHBondContact CA-O 3.14Å; R97-L164 HydrophobicContact CG-CB 4.05Å; R97-L164 PolarHBondContact N-O 3.4Å; R97-L164 PolarHBondContact O-N 3.08Å; R97-L164 VanDerWaalsContact O-O 3.11Å; E99-L164 HydrophobicContact CB-CD1 4.13Å; E99-L164 HydrophobicContact CB-CD2 4.4Å; E99-L164 HydrophobicContact CB-CG 3.95Å; E99-L164 HydrophobicContact CG-CD1 4.16Å; E99-L164 HydrophobicContact CG-CD2 4.49Å; E99-L164 HydrophobicContact CG-CG 4.35Å
165L94.6Very high92.4Very high23 Ų2353.1 Ų53.112%0.1229%0.285CS..EExtended strand (participates in β ladder)trans-110120.5175.8-54.2179.1000107.6L95 F96 L154 A158 I163 I168L95-L165 WeakPolarHBondContact O-CA 3.4Å; F96-L165 HydrophobicContact CB-CD2 3.58Å; L154-L165 HydrophobicContact CB-CD1 4.14Å; L154-L165 HydrophobicContact CD2-CD1 3.88Å; L154-L165 HydrophobicContact CG-CD1 3.55Å; A158-L165 HydrophobicContact CB-CD1 3.68Å; A158-L165 HydrophobicContact CB-CD2 4.29Å; A158-L165 HydrophobicContact CB-CG 3.87Å; I163-L165 HydrophobicContact CG2-CD2 4.19Å; L165-I168 HydrophobicContact CB-CD1 4.16Å; L165-I168 HydrophobicContact CB-CG1 4.4Å; L165-I168 HydrophobicContact CD1-CD1 3.71Å; L165-I168 HydrophobicContact CD1-CG1 4.37Å
166D92.5Very high92.2Very high66 Ų6652 Ų5235%0.35328%0.284SS..EExtended strand (participates in β ladder)trans-88.7-34.9-179.3-63.7-43.1000111.4S71 L95 R97S71-D166 VanDerWaalsContact CB-OD2 3.26Å; S71-D166 WeakPolarHBondContact CB-OD2 3.3Å; S71-D166 PolarHBondContact OG-OD2 3.46Å; L95-D166 HydrophobicContact CB-CB 4.45Å; L95-D166 PolarHBondContact O-N 3.33Å; R97-D166 IonicContact CZ-OD1 3.66Å; R97-D166 IonicContact CZ-OD2 2.85Å; R97-D166 IonicContact NE-OD1 2.82Å; R97-D166 PolarHBondContact NE-OD1 2.95Å; R97-D166 IonicContact NE-OD2 2.85Å; R97-D166 PolarHBondContact NE-OD2 3.01Å; R97-D166 IonicContact NH2-OD1 3.63Å; R97-D166 PolarHBondContact NH2-OD1 2.92Å
167D91.3Very high92Very high58 Ų5854.7 Ų54.731%0.3129%0.288SS..EExtended strand (participates in β ladder)trans-156.1144.9178.3175.839.7000110.6R93 L95R93-D167 IonicContact CZ-OD2 3.97Å; R93-D167 IonicContact NH1-OD2 3.25Å; R93-D167 IonicContact NH2-OD2 3.86Å; R93-D167 PolarHBondContact NH2-OD2 2.68Å; L95-D167 HydrophobicContact CB-CB 4.15Å; L95-D167 HydrophobicContact CD1-CB 3.9Å; L95-D167 HydrophobicContact CG-CB 4.39Å; L95-D167 PolarHBondContact N-O 2.86Å
168I91.5Very high91.9Very high8 Ų856.4 Ų56.44%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-136.4121.7178.1-62.4155.9000107.5L92 I94 V150 N151 L154 L165L92-I168 HydrophobicContact CD1-CG2 3.64Å; L92-I168 HydrophobicContact CD2-CG2 3.92Å; L92-I168 HydrophobicContact CG-CG2 3.99Å; I94-I168 HydrophobicContact CG2-CG1 4.21Å; I94-I168 HydrophobicContact CG2-CG2 4.32Å; V150-I168 HydrophobicContact CG1-CG2 4.15Å; N151-I168 HydrophobicContact CB-CD1 4.07Å; L154-I168 HydrophobicContact CB-CD1 4.11Å; L154-I168 HydrophobicContact CD2-CD1 3.87Å; L154-I168 HydrophobicContact CD2-CG1 4.28Å; L154-I168 HydrophobicContact CG-CD1 4.34Å; L165-I168 HydrophobicContact CB-CD1 4.16Å; L165-I168 HydrophobicContact CB-CG1 4.4Å; L165-I168 HydrophobicContact CD1-CD1 3.71Å; L165-I168 HydrophobicContact CD1-CG1 4.37Å
169A90.7Very high91.7Very high23 Ų2357.9 Ų57.919%0.1931%0.309CS..EExtended strand (participates in β ladder)trans-133.8130-18000000110.9R93 T171R93-A169 PolarHBondContact N-O 3.36Å; R93-A169 PolarHBondContact O-N 3.01Å; A169-T171 PolarHBondContact O-N 3.17Å
170L91.9Very high91.6Very high7 Ų756.3 Ų56.34%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-66.1130.1161.2-56.7171000106.4I90 L92 L127 R143 V146 S147 I173I90-L170 HydrophobicContact CG2-CD2 3.49Å; I90-L170 VanDerWaalsContact CG2-CD2 3.49Å; L92-L170 HydrophobicContact CD1-CD2 3.46Å; L92-L170 VanDerWaalsContact CD1-CD2 3.46Å; L92-L170 HydrophobicContact CD1-CG 4.18Å; L127-L170 HydrophobicContact CD1-CD2 3.95Å; R143-L170 HydrophobicContact CG-CD1 4.19Å; R143-L170 VanDerWaalsContact NH2-C 3.25Å; R143-L170 PolarHBondContact NH2-O 2.95Å; V146-L170 HydrophobicContact CB-CD1 4.3Å; V146-L170 HydrophobicContact CG1-CD1 4.03Å; S147-L170 WeakPolarHBondContact OG-CD1 3.49Å; L170-I173 HydrophobicContact CB-CD1 4.47Å; L170-I173 HydrophobicContact CD1-CD1 4.27Å
171T89.3Confident91.7Very high61 Ų6155.8 Ų55.837%0.37428%0.284SS..EExtended strand (participates in β ladder)trans-107.2-55.2-179.6540000112.4T91 R93 R143 A169T91-T171 WeakPolarHBondContact CB-OG1 3.34Å; T91-T171 WeakPolarHBondContact CG2-OG1 3.46Å; T91-T171 PolarHBondContact O-N 2.98Å; T91-T171 PolarHBondContact O-OG1 3.39Å; T91-T171 VanDerWaalsContact O-OG1 3.08Å; R93-T171 HydrophobicContact CB-CG2 3.64Å; R143-T171 VanDerWaalsContact NH2-CA 3.35Å; R143-T171 PolarHBondContact NH2-O 2.95Å; A169-T171 PolarHBondContact O-N 3.17Å
172Q88.8Confident91.6Very high120 Ų12054.6 Ų54.656%0.56129%0.289SS*.EExtended strand (participates in β ladder)trans-121.7125.9178.3-176.6174.8-23.800109.1I90 T91I90-Q172 CarbonylContact C-O 3.6Å; I90-Q172 WeakPolarHBondContact CA-O 3.42Å; T91-Q172 PolarHBondContact N-O 3.14Å
173I91.6Very high91.5Very high33 Ų3357 Ų5717%0.16930%0.303CS..EExtended strand (participates in β ladder)trans-118119.1171.1-56.5175.5000105.6V88 I90 R143 L170 F175V88-I173 HydrophobicContact CG1-CG2 3.59Å; I90-I173 HydrophobicContact CG1-CG1 4.43Å; I90-I173 HydrophobicContact CG1-CG2 4.33Å; R143-I173 HydrophobicContact CG-CD1 4.09Å; L170-I173 HydrophobicContact CB-CD1 4.47Å; L170-I173 HydrophobicContact CD1-CD1 4.27Å; I173-F175 HydrophobicContact CG2-CD2 4.49Å; I173-F175 HydrophobicContact CG2-CE1 4.28Å; I173-F175 HydrophobicContact CG2-CE2 3.69Å; I173-F175 HydrophobicContact CG2-CZ 3.57Å
174S92.4Very high91.4Very high39 Ų3963.1 Ų63.127%0.27333%0.332SS..EExtended strand (participates in β ladder)trans-125.1134.2178.142.60000109.1N89N89-S174 VanDerWaalsContact CB-OG 3.22Å; N89-S174 WeakPolarHBondContact CB-OG 3.32Å; N89-S174 PolarHBondContact N-O 3.47Å; N89-S174 PolarHBondContact O-N 3.33Å; N89-S174 PolarHBondContact O-OG 3.42Å; N89-S174 VanDerWaalsContact O-OG 3.09Å
175F92.3Very high91.4Very high29 Ų2963.2 Ų63.213%0.12734%0.341CS..EExtended strand (participates in β ladder)trans-101166.1179.6-59.6-87.2000109.6V88 A136 L139 I140 I173 F179V88-F175 HydrophobicContact CG1-CD1 4.12Å; V88-F175 HydrophobicContact CG1-CE1 3.9Å; V88-F175 HydrophobicContact CG1-CZ 4.43Å; V88-F175 HydrophobicContact CG2-CD1 3.87Å; V88-F175 HydrophobicContact CG2-CE1 3.87Å; A136-F175 HydrophobicContact CB-CD1 4.09Å; A136-F175 HydrophobicContact CB-CE1 3.78Å; L139-F175 HydrophobicContact CB-CE1 4.45Å; L139-F175 HydrophobicContact CB-CZ 4.11Å; L139-F175 HydrophobicContact CD1-CE1 4.29Å; I140-F175 HydrophobicContact CD1-CD2 4.4Å; I140-F175 HydrophobicContact CD1-CE2 3.75Å; I140-F175 HydrophobicContact CD1-CZ 4.02Å; I140-F175 HydrophobicContact CG1-CE2 3.49Å; I140-F175 VanDerWaalsContact CG1-CE2 3.49Å; I140-F175 HydrophobicContact CG1-CZ 3.55Å; I173-F175 HydrophobicContact CG2-CD2 4.49Å; I173-F175 HydrophobicContact CG2-CE1 4.28Å; I173-F175 HydrophobicContact CG2-CE2 3.69Å; I173-F175 HydrophobicContact CG2-CZ 3.57Å; F175-F179 HydrophobicContact CB-CD1 3.73Å; F175-F179 HydrophobicContact CB-CE1 4.47Å; F175-F179 HydrophobicContact CD1-CD1 4.05Å; F175-F179 HydrophobicContact CD1-CE1 4.04Å; F175-F179 AromaticContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CE1 4.14Å
176G90Very high91.3Very high30 Ų3069.9 Ų69.931%0.30937%0.369SS..  trans-53.8143.6168.300000111.3T87 E178 F179 S180T87-G176 PolarHBondContact O-N 3.48Å; G176-E178 VanDerWaalsContact C-N 3.3Å; G176-E178 PolarHBondContact O-N 2.81Å; G176-F179 PolarHBondContact O-N 3.07Å; G176-F179 VanDerWaalsContact O-N 3.1Å; G176-S180 PolarHBondContact O-N 3.23Å; G176-S180 VanDerWaalsContact O-N 3.09Å
177R91Very high91.3Very high193 Ų19371.4 Ų71.473%0.72837%0.374SS*.Hα-helixtrans-54.9-44.2-176-179.3178.2171.7-166.4-8.1112.8F179 S180 E181R177-F179 VanDerWaalsContact C-N 3.31Å; R177-F179 PolarHBondContact O-N 2.93Å; R177-S180 PolarHBondContact O-N 3.38Å; R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.31Å; R177-E181 IonicContact CZ-OE1 3.66Å; R177-E181 VanDerWaalsContact CZ-OE1 3.3Å; R177-E181 IonicContact NE-OE1 3.31Å; R177-E181 PolarHBondContact NE-OE1 2.93Å; R177-E181 IonicContact NH2-OE1 3.41Å; R177-E181 PolarHBondContact NH2-OE1 2.83Å; R177-E181 WeakPolarHBondContact O-CB 3.12Å; R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 3.24Å
178E91.1Very high91.5Very high169 Ų16972.1 Ų72.179%0.7938%0.38SS*.Hα-helixtrans-61.3-38.9179.8-63178.6178.400112.3G176 A182G176-E178 VanDerWaalsContact C-N 3.3Å; G176-E178 PolarHBondContact O-N 2.81Å; E178-A182 VanDerWaalsContact O-CB 3.27Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.85Å
179F90.6Very high91.8Very high32 Ų3274.3 Ų74.314%0.1440%0.399CS..Hα-helixtrans-69.3-45.3177.5-178.6-96.4000111.3Q86 A136 F175 G176 R177 A182 V183Q86-F179 HydrophobicContact CG-CD2 3.99Å; Q86-F179 HydrophobicContact CG-CE2 4.23Å; A136-F179 HydrophobicContact CB-CE1 3.89Å; A136-F179 HydrophobicContact CB-CE2 4.14Å; A136-F179 HydrophobicContact CB-CZ 3.55Å; F175-F179 HydrophobicContact CB-CD1 3.73Å; F175-F179 HydrophobicContact CB-CE1 4.47Å; F175-F179 HydrophobicContact CD1-CD1 4.05Å; F175-F179 HydrophobicContact CD1-CE1 4.04Å; F175-F179 AromaticContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CD1 3.89Å; F175-F179 HydrophobicContact CG-CE1 4.14Å; G176-F179 PolarHBondContact O-N 3.07Å; G176-F179 VanDerWaalsContact O-N 3.1Å; R177-F179 VanDerWaalsContact C-N 3.31Å; R177-F179 PolarHBondContact O-N 2.93Å; F179-A182 PolarHBondContact O-N 2.91Å; F179-V183 HydrophobicContact CD1-CG2 4.09Å; F179-V183 HydrophobicContact CE1-CG2 3.71Å; F179-V183 HydrophobicContact CE2-CG2 4.16Å; F179-V183 HydrophobicContact CG-CG2 4.48Å; F179-V183 HydrophobicContact CZ-CG2 3.74Å; F179-V183 VanDerWaalsContact O-CG2 3.3Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.11Å
180S89.8Confident92Very high39 Ų3977.8 Ų77.827%0.27341%0.412SS..Hα-helixtrans-59.8-47176.5-69.20000111.9G176 R177 A182 V183 E184G176-S180 PolarHBondContact O-N 3.23Å; G176-S180 VanDerWaalsContact O-N 3.09Å; R177-S180 PolarHBondContact O-N 3.38Å; S180-A182 PolarHBondContact O-N 2.82Å; S180-V183 PolarHBondContact O-N 2.88Å; S180-E184 WeakPolarHBondContact O-CB 3.17Å; S180-E184 WeakPolarHBondContact O-CG 3.26Å; S180-E184 PolarHBondContact O-N 3.19Å
181E93.2Very high92.2Very high91 Ų9182.6 Ų82.643%0.42543%0.434SS..Hα-helixtrans-61.9-41.7177.2-71.9177.4178.200111.6R177 E184 A185R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.31Å; R177-E181 IonicContact CZ-OE1 3.66Å; R177-E181 VanDerWaalsContact CZ-OE1 3.3Å; R177-E181 IonicContact NE-OE1 3.31Å; R177-E181 PolarHBondContact NE-OE1 2.93Å; R177-E181 IonicContact NH2-OE1 3.41Å; R177-E181 PolarHBondContact NH2-OE1 2.83Å; R177-E181 WeakPolarHBondContact O-CB 3.12Å; R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 3.24Å; E181-E184 PolarHBondContact O-N 2.97Å; E181-A185 WeakPolarHBondContact O-CB 3.42Å; E181-A185 PolarHBondContact O-N 3.48Å
182A91Very high92.5Very high59 Ų5985.9 Ų85.949%0.48845%0.445SS..Hα-helixtrans-66.1-39.7177.900000113E178 F179 S180 K186E178-A182 VanDerWaalsContact O-CB 3.27Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.85Å; F179-A182 PolarHBondContact O-N 2.91Å; S180-A182 PolarHBondContact O-N 2.82Å; A182-K186 WeakPolarHBondContact O-CB 3.3Å; A182-K186 PolarHBondContact O-N 3.43Å
183V89.5Confident92.8Very high55 Ų5582.3 Ų82.333%0.33344%0.436SS..Hα-helixtrans-67.9-44.1177170.80000110.8F179 S180 K186 Q187F179-V183 HydrophobicContact CD1-CG2 4.09Å; F179-V183 HydrophobicContact CE1-CG2 3.71Å; F179-V183 HydrophobicContact CE2-CG2 4.16Å; F179-V183 HydrophobicContact CG-CG2 4.48Å; F179-V183 HydrophobicContact CZ-CG2 3.74Å; F179-V183 VanDerWaalsContact O-CG2 3.3Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.11Å; S180-V183 PolarHBondContact O-N 2.88Å; V183-K186 PolarHBondContact O-N 2.95Å; V183-Q187 WeakPolarHBondContact O-CB 3.45Å; V183-Q187 PolarHBondContact O-N 3.13Å
184E91.6Very high93.1Very high131 Ų13185.5 Ų85.561%0.61245%0.45SS*.Hα-helixtrans-60.6-46.7175.6-74.2176.1-172.400111.3S180 E181 K186 Q187 V188S180-E184 WeakPolarHBondContact O-CB 3.17Å; S180-E184 WeakPolarHBondContact O-CG 3.26Å; S180-E184 PolarHBondContact O-N 3.19Å; E181-E184 PolarHBondContact O-N 2.97Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 2.96Å; E184-Q187 PolarHBondContact O-N 3.02Å; E184-Q187 VanDerWaalsContact O-N 3.17Å; E184-V188 WeakPolarHBondContact O-CG2 3.02Å; E184-V188 PolarHBondContact O-N 3.06Å
185A95.5Very high93.3Very high61 Ų6192.9 Ų92.950%0.50447%0.472SS..Hα-helixtrans-60-42.8177.100000112.4E181 V188 A189E181-A185 WeakPolarHBondContact O-CB 3.42Å; E181-A185 PolarHBondContact O-N 3.48Å; A185-V188 PolarHBondContact O-N 3.12Å; A185-A189 WeakPolarHBondContact O-CB 3.38Å; A185-A189 PolarHBondContact O-N 3.4Å
186K92.2Very high93.5Very high163 Ų16394.2 Ų94.271%0.70949%0.489SS*.Hα-helixtrans-64.4-40.3175.7-174.2179.7179.9-177.40111.8A182 V183 E184 A189 Q190A182-K186 WeakPolarHBondContact O-CB 3.3Å; A182-K186 PolarHBondContact O-N 3.43Å; V183-K186 PolarHBondContact O-N 2.95Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 2.96Å; K186-A189 PolarHBondContact O-N 3.46Å; K186-Q190 WeakPolarHBondContact O-CB 3.38Å; K186-Q190 PolarHBondContact O-N 3.46Å
187Q92.7Very high93.8Very high98 Ų98101.8 Ų101.846%0.45851%0.508SS..Hα-helixtrans-66.4-40.7179.4-174.360.96300111.7V183 E184 Q190 Q191V183-Q187 WeakPolarHBondContact O-CB 3.45Å; V183-Q187 PolarHBondContact O-N 3.13Å; E184-Q187 PolarHBondContact O-N 3.02Å; E184-Q187 VanDerWaalsContact O-N 3.17Å; Q187-Q190 PolarHBondContact O-N 3.47Å; Q187-Q191 VanDerWaalsContact O-CG 3.31Å; Q187-Q191 WeakPolarHBondContact O-CG 3.26Å; Q187-Q191 PolarHBondContact O-N 2.91Å
188V95.8Very high94.1Very high73 Ų7399.7 Ų99.744%0.44250%0.501SS..Hα-helixtrans-63.5-49.2174.5172.50000110.3E184 A185 Q190 Q191 E192E184-V188 WeakPolarHBondContact O-CG2 3.02Å; E184-V188 PolarHBondContact O-N 3.06Å; A185-V188 PolarHBondContact O-N 3.12Å; V188-Q190 VanDerWaalsContact C-N 3.28Å; V188-Q190 PolarHBondContact O-N 3.13Å; V188-Q191 PolarHBondContact O-N 3.38Å; V188-Q191 VanDerWaalsContact O-N 3.14Å; V188-E192 HydrophobicContact CG1-CG 4.42Å; V188-E192 WeakPolarHBondContact O-CG 3.45Å; V188-E192 PolarHBondContact O-N 3.08Å
189A96Very high94.4Very high54 Ų5497.2 Ų97.245%0.44649%0.493SS..Hα-helixtrans-59.6-38.7178.300000112.6A185 K186 E192 A193A185-A189 WeakPolarHBondContact O-CB 3.38Å; A185-A189 PolarHBondContact O-N 3.4Å; K186-A189 PolarHBondContact O-N 3.46Å; A189-E192 PolarHBondContact O-N 3.42Å; A189-A193 WeakPolarHBondContact O-CB 3.17Å; A189-A193 PolarHBondContact O-N 3.43Å
190Q95.2Very high94.7Very high96 Ų9699.5 Ų99.545%0.44951%0.509SS..Hα-helixtrans-65.2-43.9175.7-17863.722.400111.9K186 Q187 V188 A193 E194K186-Q190 WeakPolarHBondContact O-CB 3.38Å; K186-Q190 PolarHBondContact O-N 3.46Å; Q187-Q190 PolarHBondContact O-N 3.47Å; V188-Q190 VanDerWaalsContact C-N 3.28Å; V188-Q190 PolarHBondContact O-N 3.13Å; Q190-A193 PolarHBondContact O-N 2.9Å; Q190-E194 PolarHBondContact NE2-OE1 3.01Å; Q190-E194 WeakPolarHBondContact O-CG 3.45Å; Q190-E194 PolarHBondContact O-N 3.08Å
191Q95.6Very high95Very high109 Ų109102.9 Ų102.951%0.50952%0.521SS..Hα-helixtrans-65.4-38.3176.7-73.3174.59.600112.1Q187 V188 E194 R195Q187-Q191 VanDerWaalsContact O-CG 3.31Å; Q187-Q191 WeakPolarHBondContact O-CG 3.26Å; Q187-Q191 PolarHBondContact O-N 2.91Å; V188-Q191 PolarHBondContact O-N 3.38Å; V188-Q191 VanDerWaalsContact O-N 3.14Å; Q191-E194 PolarHBondContact O-N 3.19Å; Q191-R195 VanDerWaalsContact O-CB 3.31Å; Q191-R195 WeakPolarHBondContact O-CB 3.48Å; Q191-R195 PolarHBondContact O-N 3.26Å
192E96.5Very high95.2Very high130 Ų130103.6 Ų103.661%0.60752%0.522SS*.Hα-helixtrans-63.4-43.3174.5-74-179.6175.400111.5V188 A189 R195 A196V188-E192 HydrophobicContact CG1-CG 4.42Å; V188-E192 WeakPolarHBondContact O-CG 3.45Å; V188-E192 PolarHBondContact O-N 3.08Å; A189-E192 PolarHBondContact O-N 3.42Å; E192-R195 PolarHBondContact O-N 3.09Å; E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.25Å
193A96.1Very high95.5Very high44 Ų44103.3 Ų103.336%0.36452%0.52SS..Hα-helixtrans-63.7-42.3175.300000112.2A189 Q190 A196 R197A189-A193 WeakPolarHBondContact O-CB 3.17Å; A189-A193 PolarHBondContact O-N 3.43Å; Q190-A193 PolarHBondContact O-N 2.9Å; A193-A196 PolarHBondContact O-N 3.12Å; A193-R197 WeakPolarHBondContact O-CG 3.41Å; A193-R197 PolarHBondContact O-N 2.83Å
194E97.1Very high95.8Very high101 Ų101106 Ų10647%0.47253%0.529SS..Hα-helixtrans-63.6-42.4175-76.4171.1-167.300111.8Q190 Q191 R197 Y198Q190-E194 PolarHBondContact NE2-OE1 3.01Å; Q190-E194 WeakPolarHBondContact O-CG 3.45Å; Q190-E194 PolarHBondContact O-N 3.08Å; Q191-E194 PolarHBondContact O-N 3.19Å; E194-R197 PolarHBondContact O-N 2.91Å; E194-Y198 WeakPolarHBondContact O-CB 3.3Å; E194-Y198 PolarHBondContact O-N 2.78Å
195R96.9Very high96Very high193 Ų193104.9 Ų104.973%0.72852%0.523SS*.Hα-helixtrans-63.4-42.1175.4-175.4177.7-174.5150.62112Q191 E192 Y198 L199Q191-R195 VanDerWaalsContact O-CB 3.31Å; Q191-R195 WeakPolarHBondContact O-CB 3.48Å; Q191-R195 PolarHBondContact O-N 3.26Å; E192-R195 PolarHBondContact O-N 3.09Å; R195-Y198 PolarHBondContact O-N 3.06Å; R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 PolarHBondContact O-N 3.47Å
196A96.4Very high96.1Very high57 Ų57107.3 Ų107.347%0.47152%0.524SS..Hα-helixtrans-62.9-43.3176.400000111.2E192 A193 L199 V200E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.25Å; A193-A196 PolarHBondContact O-N 3.12Å; A196-L199 PolarHBondContact O-N 2.84Å; A196-V200 WeakPolarHBondContact O-CG2 3.17Å; A196-V200 PolarHBondContact O-N 3.41Å; A196-V200 VanDerWaalsContact O-N 3.09Å
197R96.9Very high96.3Very high190 Ų190106.4 Ų106.472%0.71752%0.52SS*.Hα-helixtrans-60.7-47.2173.7-74177.4178.1-169.50112.1A193 E194 L199 V200 E201A193-R197 WeakPolarHBondContact O-CG 3.41Å; A193-R197 PolarHBondContact O-N 2.83Å; E194-R197 PolarHBondContact O-N 2.91Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.47Å; R197-V200 PolarHBondContact O-N 2.67Å; R197-E201 PolarHBondContact O-N 3.17Å
198Y97.1Very high96.4Very high149 Ų149105.9 Ų105.958%0.58452%0.52SS*.Hα-helixtrans-60.9-36.4177.6-178.8-102.2000112.3E194 R195 K202E194-Y198 WeakPolarHBondContact O-CB 3.3Å; E194-Y198 PolarHBondContact O-N 2.78Å; R195-Y198 PolarHBondContact O-N 3.06Å; Y198-K202 HydrophobicContact CE1-CD 4.39Å; Y198-K202 WeakPolarHBondContact O-CB 3.45Å; Y198-K202 PolarHBondContact O-N 3.49Å
199L97.1Very high96.4Very high117 Ų117104.8 Ų104.861%0.61352%0.519SS*.Hα-helixtrans-66-43.4175.9-172.5153.5000111.7R195 A196 R197 K202 A203R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 PolarHBondContact O-N 3.47Å; A196-L199 PolarHBondContact O-N 2.84Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 3.37Å; L199-A203 WeakPolarHBondContact O-CB 3.36Å; L199-A203 PolarHBondContact O-N 2.96Å
200V96.2Very high96.5Very high80 Ų80105.2 Ų105.249%0.48552%0.522SS..Hα-helixtrans-63-48.5176.3174.20000110.6A196 R197 K202 A203 E204A196-V200 WeakPolarHBondContact O-CG2 3.17Å; A196-V200 PolarHBondContact O-N 3.41Å; A196-V200 VanDerWaalsContact O-N 3.09Å; R197-V200 PolarHBondContact O-N 2.67Å; V200-K202 PolarHBondContact O-N 3.45Å; V200-A203 WeakPolarHBondContact O-CB 3.44Å; V200-A203 PolarHBondContact O-N 3.26Å; V200-A203 VanDerWaalsContact O-N 3.13Å; V200-E204 WeakPolarHBondContact O-CG 3.45Å; V200-E204 PolarHBondContact O-N 3.04Å
201E96.9Very high96.5Very high110 Ų110104.2 Ų104.251%0.51452%0.519SS..Hα-helixtrans-60.7-44.9177.8-175.4178.7-176.900111.5R197 A203 E204 Q205R197-E201 PolarHBondContact O-N 3.17Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 3.33Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.49Å; E201-Q205 WeakPolarHBondContact O-CG 3.38Å; E201-Q205 PolarHBondContact O-N 2.97Å
202K97.4Very high96.6Very high105 Ų105104.3 Ų104.346%0.45752%0.522SS..Hα-helixtrans-59.4-41.6175.1-178.4175.1178.6-179.50111.5Y198 L199 V200 Q205 H206Y198-K202 HydrophobicContact CE1-CD 4.39Å; Y198-K202 WeakPolarHBondContact O-CB 3.45Å; Y198-K202 PolarHBondContact O-N 3.49Å; L199-K202 PolarHBondContact O-N 3.37Å; V200-K202 PolarHBondContact O-N 3.45Å; K202-Q205 PolarHBondContact O-N 3Å; K202-H206 WeakPolarHBondContact CE-NE2 3.49Å; K202-H206 PolarHBondContact O-CD2 2.87Å; K202-H206 PolarHBondContact O-N 2.81Å
203A96.6Very high96.5Very high53 Ų53101.5 Ų101.544%0.43852%0.516SS..Hα-helixtrans-66-38.2176.900000112.1L199 V200 E201 H206 K207L199-A203 WeakPolarHBondContact O-CB 3.36Å; L199-A203 PolarHBondContact O-N 2.96Å; V200-A203 WeakPolarHBondContact O-CB 3.44Å; V200-A203 PolarHBondContact O-N 3.26Å; V200-A203 VanDerWaalsContact O-N 3.13Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 3.33Å; A203-H206 PolarHBondContact O-N 3.06Å; A203-K207 WeakPolarHBondContact O-CB 3.33Å; A203-K207 PolarHBondContact O-N 3.27Å
204E96.6Very high96.5Very high112 Ų112102.2 Ų102.252%0.52352%0.522SS..Hα-helixtrans-64.7-45.1173.7-72.4179.1172.200111.9V200 E201 H206 K207 L208V200-E204 WeakPolarHBondContact O-CG 3.45Å; V200-E204 PolarHBondContact O-N 3.04Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.49Å; E204-H206 PolarHBondContact O-N 3.48Å; E204-K207 WeakPolarHBondContact O-CB 3.19Å; E204-K207 PolarHBondContact O-N 3.25Å; E204-L208 WeakPolarHBondContact O-CG 3.36Å; E204-L208 PolarHBondContact O-N 2.8Å
205Q96.1Very high96.4Very high107 Ų107102.8 Ų102.850%0.553%0.525SS..Hα-helixtrans-62.5-41.4175.6-66.8-57.6-35.400111.9E201 K202 K207 L208 A209E201-Q205 WeakPolarHBondContact O-CG 3.38Å; E201-Q205 PolarHBondContact O-N 2.97Å; K202-Q205 PolarHBondContact O-N 3Å; Q205-K207 VanDerWaalsContact C-N 3.34Å; Q205-K207 PolarHBondContact O-N 3.26Å; Q205-L208 PolarHBondContact O-N 2.85Å; Q205-A209 WeakPolarHBondContact O-CB 3.23Å; Q205-A209 PolarHBondContact O-N 2.52Å
206H96.4Very high96.4Very high113 Ų11395.2 Ų95.252%0.52351%0.507SS..Hα-helixtrans-62.9-39.9173.9-79.5-60.2000112.4K202 A203 E204 A210K202-H206 WeakPolarHBondContact CE-NE2 3.49Å; K202-H206 PolarHBondContact O-CD2 2.87Å; K202-H206 PolarHBondContact O-N 2.81Å; A203-H206 PolarHBondContact O-N 3.06Å; E204-H206 PolarHBondContact O-N 3.48Å; H206-A210 WeakPolarHBondContact O-CB 3.5Å; H206-A210 PolarHBondContact O-N 2.85Å
207K96.1Very high96.3Very high144 Ų14498.1 Ų98.163%0.62652%0.515SS*.Hα-helixtrans-63.4-46175.2-178.4-175.1175.7-173.70111.3A203 E204 Q205 A210 I211A203-K207 WeakPolarHBondContact O-CB 3.33Å; A203-K207 PolarHBondContact O-N 3.27Å; E204-K207 WeakPolarHBondContact O-CB 3.19Å; E204-K207 PolarHBondContact O-N 3.25Å; Q205-K207 VanDerWaalsContact C-N 3.34Å; Q205-K207 PolarHBondContact O-N 3.26Å; K207-A210 PolarHBondContact O-N 2.81Å; K207-I211 HydrophobicContact CG-CD1 4.21Å; K207-I211 WeakPolarHBondContact O-CG1 3.38Å; K207-I211 PolarHBondContact O-N 2.9Å; K207-I211 VanDerWaalsContact O-N 3.08Å
208L96.3Very high96.1Very high87 Ų8792.6 Ų92.646%0.45551%0.505SS..Hα-helixtrans-62.9-44.9177.3-72.1172000111.6E204 Q205 A210 I211 I212E204-L208 WeakPolarHBondContact O-CG 3.36Å; E204-L208 PolarHBondContact O-N 2.8Å; Q205-L208 PolarHBondContact O-N 2.85Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.25Å; L208-I211 PolarHBondContact O-N 2.8Å; L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.38Å
209A95.9Very high96Very high50 Ų5092 Ų9241%0.41351%0.508SS..Hα-helixtrans-58.2-42.8175.800000111.7Q205 I211 I212 S213Q205-A209 WeakPolarHBondContact O-CB 3.23Å; Q205-A209 PolarHBondContact O-N 2.52Å; A209-I211 PolarHBondContact O-N 2.97Å; A209-I212 PolarHBondContact O-N 3.35Å; A209-S213 WeakPolarHBondContact O-CB 3.21Å; A209-S213 PolarHBondContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.43Å; A209-S213 VanDerWaalsContact O-OG 3.09Å
210A96.5Very high95.8Very high62 Ų6288.6 Ų88.651%0.51250%0.496SS..Hα-helixtrans-64.1-38.7177.100000113H206 K207 L208 A214H206-A210 WeakPolarHBondContact O-CB 3.5Å; H206-A210 PolarHBondContact O-N 2.85Å; K207-A210 PolarHBondContact O-N 2.81Å; L208-A210 VanDerWaalsContact C-N 3.3Å; L208-A210 PolarHBondContact O-N 3.25Å; A210-A214 WeakPolarHBondContact O-CB 3.29Å; A210-A214 PolarHBondContact O-N 2.85Å; A210-A214 VanDerWaalsContact O-N 3.09Å
211I96.8Very high95.5Very high75 Ų7587.5 Ų87.539%0.38550%0.496SS..Hα-helixtrans-66.3-48.7175.6-66.5165.8000110.4K207 L208 A209 S213 A214 E215K207-I211 HydrophobicContact CG-CD1 4.21Å; K207-I211 WeakPolarHBondContact O-CG1 3.38Å; K207-I211 PolarHBondContact O-N 2.9Å; K207-I211 VanDerWaalsContact O-N 3.08Å; L208-I211 PolarHBondContact O-N 2.8Å; A209-I211 PolarHBondContact O-N 2.97Å; I211-S213 VanDerWaalsContact C-N 3.32Å; I211-S213 PolarHBondContact O-N 2.88Å; I211-A214 PolarHBondContact O-N 2.85Å; I211-A214 VanDerWaalsContact O-N 3.16Å; I211-E215 HydrophobicContact CG2-CG 4.38Å; I211-E215 WeakPolarHBondContact O-CG 3.37Å; I211-E215 PolarHBondContact O-N 3.01Å
212I96.5Very high95.3Very high111 Ų11185.6 Ų85.657%0.56949%0.492SS*.Hα-helixtrans-61.1-40.8179.4-67.6166.8000111L208 A209 G216L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.38Å; A209-I212 PolarHBondContact O-N 3.35Å; I212-G216 PolarHBondContact O-N 3.49Å
213S94.7Very high94.9Very high71 Ų7186.4 Ų86.450%0.49750%0.5SS..Hα-helixtrans-63.2-44.3174.9-66.70000112A209 I211 G216 D217A209-S213 WeakPolarHBondContact O-CB 3.21Å; A209-S213 PolarHBondContact O-N 3.09Å; A209-S213 PolarHBondContact O-OG 3.43Å; A209-S213 VanDerWaalsContact O-OG 3.09Å; I211-S213 VanDerWaalsContact C-N 3.32Å; I211-S213 PolarHBondContact O-N 2.88Å; S213-G216 PolarHBondContact O-N 3.49Å; S213-D217 WeakPolarHBondContact O-CB 3.4Å; S213-D217 VanDerWaalsContact O-CG 3.23Å; S213-D217 PolarHBondContact O-N 3.4Å
214A95.6Very high94.4Very high59 Ų5988.3 Ų88.349%0.48850%0.503SS..Hα-helixtrans-66.4-39.2178.400000112.8A210 I211 S218A210-A214 WeakPolarHBondContact O-CB 3.29Å; A210-A214 PolarHBondContact O-N 2.85Å; A210-A214 VanDerWaalsContact O-N 3.09Å; I211-A214 PolarHBondContact O-N 2.85Å; I211-A214 VanDerWaalsContact O-N 3.16Å; A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 3.19Å
215E95.9Very high93.8Very high114 Ų11487 Ų8753%0.53351%0.506SS..Hα-helixtrans-64.6-44.7172.7-73.5176.1172.400111.1I211 D217 S218 E219I211-E215 HydrophobicContact CG2-CG 4.38Å; I211-E215 WeakPolarHBondContact O-CG 3.37Å; I211-E215 PolarHBondContact O-N 3.01Å; E215-D217 PolarHBondContact O-N 2.95Å; E215-S218 WeakPolarHBondContact O-CB 3.2Å; E215-S218 PolarHBondContact O-N 3.31Å; E215-E219 WeakPolarHBondContact O-CB 3.23Å; E215-E219 WeakPolarHBondContact O-CG 3.44Å; E215-E219 PolarHBondContact O-N 3.06Å
216G96.5Very high93.3Very high34 Ų3489 Ų8935%0.35151%0.513SS..Hα-helixtrans-60.1-41.5175.200000112.9I212 S213 A220I212-G216 PolarHBondContact O-N 3.49Å; S213-G216 PolarHBondContact O-N 3.49Å; G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.5Å
217D94Very high92.7Very high118 Ų11886.2 Ų86.263%0.63151%0.507SS*.Hα-helixtrans-65.4-41.8175.2-72.6-19.1000111.5S213 E215 A221S213-D217 WeakPolarHBondContact O-CB 3.4Å; S213-D217 VanDerWaalsContact O-CG 3.23Å; S213-D217 PolarHBondContact O-N 3.4Å; E215-D217 PolarHBondContact O-N 2.95Å; D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.38Å; D217-A221 PolarHBondContact O-N 3.41Å
218S93.9Very high91.9Very high73 Ų7383 Ų8351%0.5149%0.493SS..Hα-helixtrans-63.9-49.2175.8177.10000111.4A214 E215 A221 T222A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 3.19Å; E215-S218 WeakPolarHBondContact O-CB 3.2Å; E215-S218 PolarHBondContact O-N 3.31Å; S218-A221 PolarHBondContact O-N 3.03Å; S218-T222 WeakPolarHBondContact O-CG2 3.27Å; S218-T222 PolarHBondContact O-N 2.95Å
219E94.2Very high91Very high137 Ų13782.1 Ų82.164%0.6451%0.505SS*.Hα-helixtrans-61.5-45.3176.9-73.7-172171.800111.6E215 A221 T222 L223E215-E219 WeakPolarHBondContact O-CB 3.23Å; E215-E219 WeakPolarHBondContact O-CG 3.44Å; E215-E219 PolarHBondContact O-N 3.06Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.83Å; E219-T222 PolarHBondContact O-N 3.39Å; E219-T222 PolarHBondContact O-OG1 2.86Å; E219-L223 WeakPolarHBondContact O-CB 3.45Å; E219-L223 PolarHBondContact O-N 3.25Å
220A93Very high90.1Very high45 Ų4584.2 Ų84.237%0.37252%0.516SS..Hα-helixtrans-59.3-4417500000111.6G216 T222 L223 L224G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.5Å; A220-T222 PolarHBondContact O-N 3.34Å; A220-L223 PolarHBondContact O-N 3.09Å; A220-L224 VanDerWaalsContact O-CB 3.29Å; A220-L224 WeakPolarHBondContact O-CB 3.18Å; A220-L224 VanDerWaalsContact O-CG 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.42Å; A220-L224 PolarHBondContact O-N 3.33Å
221A90.6Very high88.7Confident58 Ų5884.8 Ų84.848%0.47952%0.516SS..Hα-helixtrans-61.8-42.3175.600000111.9D217 S218 E219 S225D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.38Å; D217-A221 PolarHBondContact O-N 3.41Å; S218-A221 PolarHBondContact O-N 3.03Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.83Å; A221-S225 VanDerWaalsContact O-CB 3.23Å; A221-S225 WeakPolarHBondContact O-CB 3.48Å; A221-S225 PolarHBondContact O-N 2.88Å
222T90.9Very high87.4Confident70 Ų7083.2 Ų83.243%0.42952%0.519SS..Hα-helixtrans-67.3-36.9175.866.30000112.9S218 E219 A220 K226S218-T222 WeakPolarHBondContact O-CG2 3.27Å; S218-T222 PolarHBondContact O-N 2.95Å; E219-T222 PolarHBondContact O-N 3.39Å; E219-T222 PolarHBondContact O-OG1 2.86Å; A220-T222 PolarHBondContact O-N 3.34Å; T222-K226 WeakPolarHBondContact O-CB 3.39Å; T222-K226 VanDerWaalsContact O-CG 3.27Å; T222-K226 WeakPolarHBondContact O-CG 3.28Å; T222-K226 PolarHBondContact O-N 2.97Å
223L90.2Very high86.6Confident121 Ų12185.6 Ų85.663%0.63453%0.528SS*.Hα-helixtrans-71-44.2178.6-172.969.2000111.2E219 A220 K226 S227E219-L223 WeakPolarHBondContact O-CB 3.45Å; E219-L223 PolarHBondContact O-N 3.25Å; A220-L223 PolarHBondContact O-N 3.09Å; L223-K226 PolarHBondContact O-N 2.97Å; L223-S227 VanDerWaalsContact O-CB 3.28Å; L223-S227 WeakPolarHBondContact O-CB 3.49Å; L223-S227 PolarHBondContact O-N 2.98Å
224L85.9Confident86Confident93 Ų9384.7 Ų84.749%0.48753%0.53SS..Hα-helixtrans-61.1-45.8172.8-75.1172.9000111A220 K226 S227 F228A220-L224 VanDerWaalsContact O-CB 3.29Å; A220-L224 WeakPolarHBondContact O-CB 3.18Å; A220-L224 VanDerWaalsContact O-CG 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.42Å; A220-L224 PolarHBondContact O-N 3.33Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 2.99Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 VanDerWaalsContact O-N 3.16Å; L224-F228 HydrophobicContact CB-CD2 4.21Å; L224-F228 HydrophobicContact CB-CE2 3.91Å; L224-F228 HydrophobicContact CD2-CE2 4.15Å; L224-F228 HydrophobicContact CD2-CZ 4.15Å; L224-F228 HydrophobicContact CG-CE2 4.5Å; L224-F228 WeakPolarHBondContact O-CB 3.4Å; L224-F228 WeakPolarHBondContact O-CD2 3.4Å; L224-F228 WeakPolarHBondContact O-CG 3.22Å; L224-F228 PolarHBondContact O-N 2.83Å
225S83.8Confident85.3Confident84 Ų8486.5 Ų86.559%0.58753%0.531SS*.Hα-helixtrans-57.8-45.1175.9177.90000112A221 G229A221-S225 VanDerWaalsContact O-CB 3.23Å; A221-S225 WeakPolarHBondContact O-CB 3.48Å; A221-S225 PolarHBondContact O-N 2.88Å; S225-G229 PolarHBondContact O-N 3.06Å
226K86.2Confident84.7Confident149 Ų14985.2 Ų85.265%0.64853%0.526SS*.Hα-helixtrans-63.2-43.5173.7-72.6168.9-176.6171.50112.1T222 L223 L224 G229 S230T222-K226 WeakPolarHBondContact O-CB 3.39Å; T222-K226 VanDerWaalsContact O-CG 3.27Å; T222-K226 WeakPolarHBondContact O-CG 3.28Å; T222-K226 PolarHBondContact O-N 2.97Å; L223-K226 PolarHBondContact O-N 2.97Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 2.99Å; K226-G229 PolarHBondContact O-N 2.9Å; K226-S230 PolarHBondContact O-N 3.09Å; K226-S230 PolarHBondContact O-OG 3.26Å
227S82.6Confident84.2Confident56 Ų5689.1 Ų89.139%0.39254%0.536SS..Hα-helixtrans-67.2-45-178.6-174.10000112.5L223 L224 G229 S230 S231L223-S227 VanDerWaalsContact O-CB 3.28Å; L223-S227 WeakPolarHBondContact O-CB 3.49Å; L223-S227 PolarHBondContact O-N 2.98Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 VanDerWaalsContact O-N 3.16Å; S227-G229 VanDerWaalsContact C-N 3.35Å; S227-S230 WeakPolarHBondContact CA-OG 3.44Å; S227-S230 PolarHBondContact O-N 3.49Å; S227-S230 PolarHBondContact O-OG 2.66Å; S227-S231 VanDerWaalsContact O-CB 3.3Å; S227-S231 WeakPolarHBondContact O-CB 3.35Å; S227-S231 PolarHBondContact O-N 2.84Å; S227-S231 PolarHBondContact O-OG 3Å
228F80.1Confident83.9Confident76 Ų7688.1 Ų88.133%0.33353%0.53SS..Hα-helixtrans-65.6-37.8172.3-65.8-47.2000111.7L224 S230 S231 G232 L235L224-F228 HydrophobicContact CB-CD2 4.21Å; L224-F228 HydrophobicContact CB-CE2 3.91Å; L224-F228 HydrophobicContact CD2-CE2 4.15Å; L224-F228 HydrophobicContact CD2-CZ 4.15Å; L224-F228 HydrophobicContact CG-CE2 4.5Å; L224-F228 WeakPolarHBondContact O-CB 3.4Å; L224-F228 WeakPolarHBondContact O-CD2 3.4Å; L224-F228 WeakPolarHBondContact O-CG 3.22Å; L224-F228 PolarHBondContact O-N 2.83Å; F228-S230 VanDerWaalsContact C-N 3.26Å; F228-S230 PolarHBondContact O-N 2.86Å; F228-S231 CarbonylContact O-C 3.46Å; F228-S231 PolarHBondContact O-N 2.86Å; F228-G232 PolarHBondContact O-N 2.74Å; F228-L235 HydrophobicContact CD1-CD2 4Å; F228-L235 HydrophobicContact CE1-CD2 3.46Å; F228-L235 VanDerWaalsContact CE1-CD2 3.46Å
229G77.9Confident83.5Confident69 Ų6992.8 Ų92.871%0.71154%0.536SS*.Hα-helixtrans-58.8-36.1172.300000113S225 K226 S227S225-G229 PolarHBondContact O-N 3.06Å; K226-G229 PolarHBondContact O-N 2.9Å; S227-G229 VanDerWaalsContact C-N 3.35Å
230S77.4Confident83.3Confident94 Ų9494.9 Ų94.966%0.65754%0.538SS*.Hα-helixtrans-82.6-32.4174.754.50000114.4K226 S227 F228K226-S230 PolarHBondContact O-N 3.09Å; K226-S230 PolarHBondContact O-OG 3.26Å; S227-S230 WeakPolarHBondContact CA-OG 3.44Å; S227-S230 PolarHBondContact O-N 3.49Å; S227-S230 PolarHBondContact O-OG 2.66Å; F228-S230 VanDerWaalsContact C-N 3.26Å; F228-S230 PolarHBondContact O-N 2.86Å
231S66.6Low83.3Confident73 Ų7397.8 Ų97.851%0.5155%0.546SS..SBendtrans-112.448.5-172.8-59.90000112.1S227 F228S227-S231 VanDerWaalsContact O-CB 3.3Å; S227-S231 WeakPolarHBondContact O-CB 3.35Å; S227-S231 PolarHBondContact O-N 2.84Å; S227-S231 PolarHBondContact O-OG 3Å; F228-S231 CarbonylContact O-C 3.46Å; F228-S231 PolarHBondContact O-N 2.86Å
232G69.2Low83.5Confident43 Ų4398.4 Ų98.444%0.44354%0.539SS..  trans62.3140.4157.900000119.5F228 G234 L235F228-G232 PolarHBondContact O-N 2.74Å; G232-G234 PolarHBondContact O-N 3.14Å; G232-G234 VanDerWaalsContact O-N 3.08Å; G232-L235 PolarHBondContact O-N 2.84Å
233E79.7Confident83.6Confident161 Ų16197.3 Ų97.375%0.75254%0.537SS*.THydrogen-bonded Turntrans-54.4-27.1175.5-173.9172.2-173.100114.1L235 I236 E237E233-L235 VanDerWaalsContact C-N 3.25Å; E233-L235 PolarHBondContact O-N 3.44Å; E233-I236 WeakPolarHBondContact O-CB 3.28Å; E233-I236 PolarHBondContact O-N 2.88Å; E233-I236 VanDerWaalsContact O-N 3.08Å; E233-E237 PolarHBondContact O-N 2.94Å
234G81.1Confident83.6Confident52 Ų5294.3 Ų94.354%0.53653%0.53SS..Hα-helixtrans-59.6-28.7-17900000114.8G232 L238G232-G234 PolarHBondContact O-N 3.14Å; G232-G234 VanDerWaalsContact O-N 3.08Å; G234-L238 PolarHBondContact O-N 3.05Å
235L81.5Confident83.9Confident97 Ų9796.3 Ų96.351%0.50854%0.537SS..Hα-helixtrans-73.2-30178.3-155.8119.1000112.3F228 G232 E233 R239F228-L235 HydrophobicContact CD1-CD2 4Å; F228-L235 HydrophobicContact CE1-CD2 3.46Å; F228-L235 VanDerWaalsContact CE1-CD2 3.46Å; G232-L235 PolarHBondContact O-N 2.84Å; E233-L235 VanDerWaalsContact C-N 3.25Å; E233-L235 PolarHBondContact O-N 3.44Å; L235-R239 PolarHBondContact O-N 3.45Å
236I84Confident84.3Confident86 Ų8697.5 Ų97.544%0.44154%0.536SS..Hα-helixtrans-69.7-41.2176.7-59.6173.1000110E233 R239 R240E233-I236 WeakPolarHBondContact O-CB 3.28Å; E233-I236 PolarHBondContact O-N 2.88Å; E233-I236 VanDerWaalsContact O-N 3.08Å; I236-R239 PolarHBondContact O-N 2.96Å; I236-R240 PolarHBondContact O-N 3.42Å
237E85.6Confident84.4Confident117 Ų11795.3 Ų95.355%0.54753%0.531SS..Hα-helixtrans-68-41.3-179.4-161.9157.1-147.700111.7E233 R239 R240 I241E233-E237 PolarHBondContact O-N 2.94Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 3.2Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 3.45Å; E237-I241 WeakPolarHBondContact O-CG1 3.36Å; E237-I241 PolarHBondContact O-N 3.14Å; E237-I241 VanDerWaalsContact O-N 3.16Å
238L87.1Confident84.6Confident96 Ų9695.3 Ų95.350%0.50353%0.534SS..Hα-helixtrans-57.7-45.6171.2-177.864000111.5G234 R240 I241 E242G234-L238 PolarHBondContact O-N 3.05Å; L238-R240 VanDerWaalsContact C-N 3.32Å; L238-R240 PolarHBondContact O-N 2.8Å; L238-I241 PolarHBondContact O-N 3.21Å; L238-I241 VanDerWaalsContact O-N 3.17Å; L238-E242 PolarHBondContact O-N 3.11Å
239R85.5Confident84.9Confident171 Ų17197.7 Ų97.765%0.64554%0.542SS*.Hα-helixtrans-65.3-34.2179.9-159.768.5177162.2-0.2113L235 I236 E237 I241 E242 A243L235-R239 PolarHBondContact O-N 3.45Å; I236-R239 PolarHBondContact O-N 2.96Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 3.2Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-E242 IonicContact CZ-OE2 3.75Å; R239-E242 IonicContact NH1-OE2 2.77Å; R239-E242 PolarHBondContact NH1-OE2 2.96Å; R239-A243 WeakPolarHBondContact O-CB 3.4Å; R239-A243 PolarHBondContact O-N 3.1Å
240R90.7Very high85.3Confident181 Ų181100 Ų10068%0.68353%0.534SS*.Hα-helixtrans-63.3-41.5174-179.9-173.7-74-176.2-1.7111.1I236 E237 L238 A244I236-R240 PolarHBondContact O-N 3.42Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 3.45Å; L238-R240 VanDerWaalsContact C-N 3.32Å; L238-R240 PolarHBondContact O-N 2.8Å; R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.15Å; R240-A244 VanDerWaalsContact O-N 3.07Å
241I93.1Very high85.7Confident107 Ų10799 Ų9955%0.54952%0.521SS..Hα-helixtrans-67.4-47178.8-64.6167.5000110.3E237 L238 R239 A243 A244 E245E237-I241 WeakPolarHBondContact O-CG1 3.36Å; E237-I241 PolarHBondContact O-N 3.14Å; E237-I241 VanDerWaalsContact O-N 3.16Å; L238-I241 PolarHBondContact O-N 3.21Å; L238-I241 VanDerWaalsContact O-N 3.17Å; R239-I241 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.13Å; I241-A244 WeakPolarHBondContact O-CB 3.29Å; I241-A244 PolarHBondContact O-N 3.34Å; I241-E245 PolarHBondContact O-N 3.47Å
242E93.9Very high86.4Confident71 Ų7199.8 Ų99.833%0.33253%0.527SS..Hα-helixtrans-58.4-44.8176.3-70.6177.2172.200112.2L238 R239 A244 E245 D246L238-E242 PolarHBondContact O-N 3.11Å; R239-E242 IonicContact CZ-OE2 3.75Å; R239-E242 IonicContact NH1-OE2 2.77Å; R239-E242 PolarHBondContact NH1-OE2 2.96Å; E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 2.87Å; E242-E245 WeakPolarHBondContact O-CB 3.23Å; E242-E245 PolarHBondContact O-N 3.07Å; E242-D246 PolarHBondContact O-N 3.27Å
243A93.8Very high86.9Confident46 Ų46103.3 Ų103.338%0.3853%0.53SS..Hα-helixtrans-64.4-38177.600000112.3R239 I241 E245 D246 I247R239-A243 WeakPolarHBondContact O-CB 3.4Å; R239-A243 PolarHBondContact O-N 3.1Å; I241-A243 PolarHBondContact O-N 3.13Å; A243-E245 VanDerWaalsContact C-N 3.34Å; A243-D246 PolarHBondContact O-N 3.24Å; A243-I247 WeakPolarHBondContact O-CB 3.39Å; A243-I247 WeakPolarHBondContact O-CD1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.26Å; A243-I247 PolarHBondContact O-N 3.35Å
244A90.6Very high87Confident58 Ų58100.2 Ų100.248%0.47952%0.518SS..Hα-helixtrans-65.4-38.1174.900000111.7R240 I241 E242 A248R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.15Å; R240-A244 VanDerWaalsContact O-N 3.07Å; I241-A244 WeakPolarHBondContact O-CB 3.29Å; I241-A244 PolarHBondContact O-N 3.34Å; E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 2.87Å; A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 2.82Å
245E92Very high86.6Confident136 Ų136109.6 Ų109.664%0.63654%0.537SS*.Hα-helixtrans-62.6-48.6173.9-173.7-179.5173.100111.7I241 E242 A243 I247 A248 Y249I241-E245 PolarHBondContact O-N 3.47Å; E242-E245 WeakPolarHBondContact O-CB 3.23Å; E242-E245 PolarHBondContact O-N 3.07Å; A243-E245 VanDerWaalsContact C-N 3.34Å; E245-I247 PolarHBondContact O-N 2.85Å; E245-A248 PolarHBondContact O-N 3.4Å; E245-Y249 WeakPolarHBondContact O-CB 3.38Å; E245-Y249 PolarHBondContact O-N 3.02Å
246D91.1Very high86.4Confident108 Ų108112.7 Ų112.758%0.57856%0.555SS**Hα-helixtrans-61.4-44.5177.9-84.5-20.4000112.3E242 A243 Y249 Q250E242-D246 PolarHBondContact O-N 3.27Å; A243-D246 PolarHBondContact O-N 3.24Å; D246-Y249 PolarHBondContact O-N 2.84Å; D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.43Å
247I89.6Confident85.8Confident103 Ų103112.3 Ų112.353%0.52855%0.553SS.*Hα-helixtrans-61.7-49.4176.3-69.5165.4000109.6A243 E245 Y249 Q250 L251A243-I247 WeakPolarHBondContact O-CB 3.39Å; A243-I247 WeakPolarHBondContact O-CD1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.26Å; A243-I247 PolarHBondContact O-N 3.35Å; E245-I247 PolarHBondContact O-N 2.85Å; I247-Y249 VanDerWaalsContact C-N 3.28Å; I247-Y249 PolarHBondContact O-N 2.88Å; I247-Q250 PolarHBondContact O-N 2.78Å; I247-L251 HydrophobicContact CG2-CD1 3.56Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.41Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.11Å
248A86.2Confident85.2Confident57 Ų57112.3 Ų112.347%0.47156%0.561SS.*Hα-helixtrans-58.4-41.2177.700000111.8A244 E245 L251 S252A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 2.82Å; E245-A248 PolarHBondContact O-N 3.4Å; A248-L251 PolarHBondContact O-N 3.4Å; A248-S252 WeakPolarHBondContact O-CB 3.5Å; A248-S252 PolarHBondContact O-N 2.93Å
249Y86.7Confident84.3Confident126 Ų126117.1 Ų117.149%0.49457%0.574SS.*Hα-helixtrans-62.2-47.8176.3-179.4-106.5000112.5E245 D246 I247 S252 K253E245-Y249 WeakPolarHBondContact O-CB 3.38Å; E245-Y249 PolarHBondContact O-N 3.02Å; D246-Y249 PolarHBondContact O-N 2.84Å; I247-Y249 VanDerWaalsContact C-N 3.28Å; I247-Y249 PolarHBondContact O-N 2.88Å; Y249-S252 PolarHBondContact O-N 3.37Å; Y249-S252 PolarHBondContact O-OG 2.82Å; Y249-K253 HydrophobicContact CE1-CD 4.38Å; Y249-K253 PolarHBondContact O-N 3.28Å; Y249-K253 WeakPolarHBondContact OH-CE 3.46Å; Y249-K253 PolarHBondContact OH-NZ 3.36Å
250Q86.8Confident83.6Confident118 Ų118113.1 Ų113.155%0.55156%0.564SS**Hα-helixtrans-65.2-40.3177.4-67.5-66.5-20.500112.3D246 I247 K253D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.43Å; I247-Q250 PolarHBondContact O-N 2.78Å; Q250-K253 PolarHBondContact O-N 2.93Å
251L84.4Confident82.6Confident72 Ų72107.2 Ų107.238%0.37755%0.549SS..Hα-helixtrans-66.5-39.7177.7-64.9172.8000111.6I247 A248 K253 N254 I257I247-L251 HydrophobicContact CG2-CD1 3.56Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.41Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.11Å; A248-L251 PolarHBondContact O-N 3.4Å; L251-K253 PolarHBondContact O-N 3.47Å; L251-N254 PolarHBondContact O-N 2.71Å; L251-N254 VanDerWaalsContact O-N 3.08Å; L251-I257 HydrophobicContact CB-CG2 4.18Å; L251-I257 HydrophobicContact CD2-CD1 3.44Å; L251-I257 VanDerWaalsContact CD2-CD1 3.44Å; L251-I257 HydrophobicContact CD2-CG2 3.98Å
252S81.1Confident81.2Confident90 Ų90110.5 Ų110.563%0.62957%0.568SS**Hα-helixtrans-61.5-28.4178.376.90000113.8A248 Y249A248-S252 WeakPolarHBondContact O-CB 3.5Å; A248-S252 PolarHBondContact O-N 2.93Å; Y249-S252 PolarHBondContact O-N 3.37Å; Y249-S252 PolarHBondContact O-OG 2.82Å
253K80.6Confident79.8Confident117 Ų117110.3 Ų110.351%0.50959%0.585SS.*Hα-helixtrans-74.7-27.1176.3-72.9-178.9178.7177.10113Y249 Q250 L251 R255Y249-K253 HydrophobicContact CE1-CD 4.38Å; Y249-K253 PolarHBondContact O-N 3.28Å; Y249-K253 WeakPolarHBondContact OH-CE 3.46Å; Y249-K253 PolarHBondContact OH-NZ 3.36Å; Q250-K253 PolarHBondContact O-N 2.93Å; L251-K253 PolarHBondContact O-N 3.47Å; K253-R255 PolarHBondContact O-N 2.83Å
254N81.2Confident78Confident95 Ų95114.5 Ų114.551%0.50860%0.597SS.*  trans-82.2112.8-177.9-87.6-27.2000110.5L251 N256 I257L251-N254 PolarHBondContact O-N 2.71Å; L251-N254 VanDerWaalsContact O-N 3.08Å; N254-N256 PolarHBondContact O-N 2.78Å; N254-I257 HydrophobicContact CB-CB 4.37Å; N254-I257 HydrophobicContact CB-CD1 3.84Å; N254-I257 HydrophobicContact CB-CG1 4.01Å; N254-I257 PolarHBondContact O-N 3.02Å; N254-I257 VanDerWaalsContact O-N 3.09Å
255R74Confident76.4Confident249 Ų249121 Ų12194%0.9462%0.617SS**THydrogen-bonded Turntrans-58.7-18.8178.1-65.1-179.4179-120.60114.2K253K253-R255 PolarHBondContact O-N 2.83Å
256N76.4Confident74.9Confident162 Ų162118.6 Ų118.687%0.86661%0.612SS**THydrogen-bonded Turntrans-92.40.5-178.8-103.724.5000114.2N254N254-N256 PolarHBondContact O-N 2.78Å
257I72.2Confident73.3Confident78 Ų78121.8 Ų121.840%0.463%0.628SS.*  trans-117116-175.6-58.1178.6000108.7L251 N254L251-I257 HydrophobicContact CB-CG2 4.18Å; L251-I257 HydrophobicContact CD2-CD1 3.44Å; L251-I257 VanDerWaalsContact CD2-CD1 3.44Å; L251-I257 HydrophobicContact CD2-CG2 3.98Å; N254-I257 HydrophobicContact CB-CB 4.37Å; N254-I257 HydrophobicContact CB-CD1 3.84Å; N254-I257 HydrophobicContact CB-CG1 4.01Å; N254-I257 PolarHBondContact O-N 3.02Å; N254-I257 VanDerWaalsContact O-N 3.09Å
258T72.5Confident71.7Confident117 Ų117122.5 Ų122.572%0.71863%0.632SS**  trans-111.3125173.2-59.20000107.8I260T258-I260 PolarHBondContact O-N 3.4Å
259Y67.6Low70.4Confident198 Ų198127.3 Ų127.378%0.77665%0.65SS**  trans-70.4120.7175.6178.6-100.7000109.8P261Y259-P261 HydrophobicContact CE1-CB 4.17Å
260I70.4Confident69.1Low86 Ų86127.8 Ų127.844%0.44166%0.66SS.*  trans-109.7115.4173.5-54175.5000106.5T258 L268T258-I260 PolarHBondContact O-N 3.4Å; I260-L268 HydrophobicContact CD1-CD1 3.56Å
261P70.9Confident67.6Low57 Ų57127.8 Ų127.837%0.3767%0.671SS.*  trans-63139.617625.1-31.6000110.6Y259 G263Y259-P261 HydrophobicContact CE1-CB 4.17Å; P261-G263 PolarHBondContact O-N 2.82Å
262D62.4Low65.8Low176 Ų176128.9 Ų128.994%0.94169%0.69SS**THydrogen-bonded Turntrans-60.3132.7177.6-171.926.1000110.5
263G65.4Low64.2Low68 Ų68129.4 Ų129.470%0.70170%0.7SS**THydrogen-bonded Turntrans101.82.1-179.400000117.2P261P261-G263 PolarHBondContact O-N 2.82Å
264Q56.7Low62.5Low134 Ų134136.5 Ų136.563%0.62674%0.735SS**  trans-105110.6174.3-123.4174.211.100111.8T266Q264-T266 PolarHBondContact O-N 3.47Å; Q264-T266 PolarHBondContact O-OG1 2.88Å
265H56.8Low61.5Low194 Ų194138.6 Ų138.690%0.89875%0.746SS**  trans-6954174.4-78.7-85.2000112.6L267H265-L267 PolarHBondContact O-N 2.97Å
266T60.6Low60.9Low86 Ų86132.8 Ų132.853%0.52874%0.736SS.*  trans-81.2104.5178.9-23.10000108.7Q264 L268Q264-T266 PolarHBondContact O-N 3.47Å; Q264-T266 PolarHBondContact O-OG1 2.88Å; T266-L268 PolarHBondContact O-N 3.3Å
267L56.9Low60Low175 Ų175131.2 Ų131.292%0.91673%0.729SS**  trans-61.893.4176.8-71.6163.1000110.4H265 N269H265-L267 PolarHBondContact O-N 2.97Å; L267-N269 PolarHBondContact O-N 2.83Å; L267-N269 VanDerWaalsContact O-N 3.13Å
268L56.6Low59.3Low118 Ų118134.3 Ų134.362%0.61875%0.748SS**  trans-72.3102.6168.2-98.5116.9000109I260 T266 L270I260-L268 HydrophobicContact CD1-CD1 3.56Å; T266-L268 PolarHBondContact O-N 3.3Å; L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 PolarHBondContact O-N 3.34Å
269N59Low58.5Low158 Ų158135.4 Ų135.485%0.84575%0.75SS**  trans-70.488.9167.3-172.123.8000108.7L267 P271L267-N269 PolarHBondContact O-N 2.83Å; L267-N269 VanDerWaalsContact O-N 3.13Å; N269-P271 WeakPolarHBondContact O-CD 3.28Å
270L58.9Low57.9Low135 Ų135131.2 Ų131.271%0.70775%0.748SS**PPolyproline II helixtrans-71.7121.2173.9-71.4159.2000108.6L268 A272L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 PolarHBondContact O-N 3.34Å; L270-A272 PolarHBondContact O-N 3.05Å
271P55.3Low57Low119 Ų119134.4 Ų134.477%0.77377%0.77SS**PPolyproline II helixtrans-63.8124.7170.925.5-30.3000108.7N269 A273N269-P271 WeakPolarHBondContact O-CD 3.28Å; P271-A273 PolarHBondContact O-N 3.5Å
272A47.2Very low55.9Low95 Ų95140.4 Ų140.479%0.78580%0.801SS**PPolyproline II helixtrans-55.3126.6173.400000109.1L270 Q274L270-A272 PolarHBondContact O-N 3.05Å; A272-Q274 PolarHBondContact O-N 3.01Å
273A46.7Very low55.4Low101 Ų101137.4 Ų137.484%0.83579%0.79SS**PPolyproline II helixtrans-56.2130.9173.300000109.1P271P271-A273 PolarHBondContact O-N 3.5Å
274Q44.2Very low54.4Low266 Ų266143.7 Ų143.7100%1.24380%0.798SS**  trans-620170.6-67.3-179.5-1.800110.9A272A272-Q274 PolarHBondContact O-N 3.01Å

Retrieved 274 of 274 residues in 581.3 ms (Link to these results)