A0A087XWD2_POEFO Loading...

Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein

GTPase-activating protein for the ADP ribosylation factor family.

AlphaFold DB , UniProt , Accession A0A087XWD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 800 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
1M36.7Very low69.1Low222 Ų22289 Ų89100%1.09444%0.441SS*.  0137.10-69.9155.317300108.3V3M1-V3 PolarHBondContact O-N 3.39Å
2T46.7Very low70.2Confident89 Ų8991.8 Ų91.855%0.54645%0.449SS..  trans-87.298.5166.842.70000107.9K4T2-K4 VanDerWaalsContact C-N 3.28Å; T2-K4 PolarHBondContact O-N 2.87Å
3V55.9Low71.3Confident53 Ų5388.6 Ų88.632%0.32144%0.435SS..  trans-71.992.4168.6-175.20000106.5M1 L5 V24M1-V3 PolarHBondContact O-N 3.39Å; V3-L5 HydrophobicContact CG1-CD2 3.87Å; V3-L5 HydrophobicContact CG1-CG 4.09Å; V3-L5 PolarHBondContact O-N 2.67Å; V3-V24 HydrophobicContact CB-CG2 4.43Å; V3-V24 HydrophobicContact CG1-CG2 4.15Å
4K64.6Low72.3Confident175 Ų17583.7 Ų83.776%0.76141%0.414SS*.  trans-83.2102.8163.1-74.8-172.4174.1-173.30106T2 D6 N178T2-K4 VanDerWaalsContact C-N 3.28Å; T2-K4 PolarHBondContact O-N 2.87Å; K4-D6 PolarHBondContact O-N 3.42Å; K4-N178 WeakPolarHBondContact CA-OD1 3.47Å
5L75.5Confident73.1Confident4 Ų485.8 Ų85.82%0.02144%0.436CS..  trans-68.1130.6173.3-71.9176.8000108.5V3 E20 I21 V174 I177 N178V3-L5 HydrophobicContact CG1-CD2 3.87Å; V3-L5 HydrophobicContact CG1-CG 4.09Å; V3-L5 PolarHBondContact O-N 2.67Å; L5-E20 HydrophobicContact CD2-CB 3.74Å; L5-I21 HydrophobicContact CD1-CG1 4.05Å; L5-V174 HydrophobicContact CB-CG1 3.86Å; L5-V174 HydrophobicContact CB-CG2 4.28Å; L5-V174 HydrophobicContact CD1-CG2 4.23Å; L5-I177 HydrophobicContact CD1-CB 4.36Å; L5-I177 HydrophobicContact CD1-CD1 3.48Å; L5-I177 VanDerWaalsContact CD1-CD1 3.48Å; L5-I177 HydrophobicContact CD1-CG1 4.48Å; L5-I177 HydrophobicContact CD1-CG2 3.92Å; L5-N178 PolarHBondContact N-OD1 3.27Å; L5-N178 PolarHBondContact O-ND2 3.23Å
6D79.6Confident73.7Confident86 Ų8691.1 Ų91.146%0.4645%0.449SS..  trans-81.2133-179.3-163-22.7000110.7K4 E8 E9 C10K4-D6 PolarHBondContact O-N 3.42Å; D6-E8 PolarHBondContact O-N 2.85Å; D6-E8 PolarHBondContact OD1-N 2.72Å; D6-E9 HydrophobicContact CB-CB 4.5Å; D6-C10 PolarHBondContact O-N 3.11Å
7F80.3Confident74.4Confident91 Ų9185.9 Ų85.940%0.39942%0.423SS..Hα-helixtrans-67.9-24.6175.6-63.9-76.8000112C10 L11 L171 V174 L175F7-C10 WeakPolarHBondContact O-CB 3.29Å; F7-L11 PolarHBondContact O-N 2.94Å; F7-L171 HydrophobicContact CB-CD2 4.17Å; F7-L171 HydrophobicContact CD1-CD2 3.76Å; F7-L171 HydrophobicContact CG-CD2 4.44Å; F7-V174 HydrophobicContact CD1-CB 4.33Å; F7-V174 HydrophobicContact CD1-CG1 3.69Å; F7-V174 HydrophobicContact CE1-CB 4.22Å; F7-V174 HydrophobicContact CE1-CG1 3.62Å; F7-V174 HydrophobicContact CG-CG1 4.35Å; F7-V174 HydrophobicContact CZ-CG1 4.2Å; F7-L175 HydrophobicContact CE1-CB 4.37Å
8E80Confident75Confident127 Ų12785.1 Ų85.159%0.59342%0.415SS*.Hα-helixtrans-73-40.3176.9-69-164.2-17500113.2D6 C10 L11 K12D6-E8 PolarHBondContact O-N 2.85Å; D6-E8 PolarHBondContact OD1-N 2.72Å; E8-C10 VanDerWaalsContact C-N 3.33Å; E8-L11 PolarHBondContact O-N 3.12Å; E8-K12 WeakPolarHBondContact O-CE 3.42Å; E8-K12 WeakPolarHBondContact O-CG 3.35Å
9E79.6Confident75.5Confident53 Ų5383.2 Ų83.225%0.24842%0.415CS..Hα-helixtrans-70.6-32177.2-74.2-60.2122.300111.9D6 L11 K12 D13 S14 F17D6-E9 HydrophobicContact CB-CB 4.5Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 2.96Å; E9-K12 PolarHBondContact O-N 3.02Å; E9-K12 VanDerWaalsContact O-N 3.12Å; E9-K12 VanDerWaalsContact OE1-CD 3.31Å; E9-K12 WeakPolarHBondContact OE1-CD 3.38Å; E9-K12 WeakPolarHBondContact OE1-CE 3.35Å; E9-K12 IonicContact OE1-NZ 2.69Å; E9-K12 PolarHBondContact OE1-NZ 3.14Å; E9-D13 PolarHBondContact O-N 3.32Å; E9-D13 VanDerWaalsContact O-N 3.16Å; E9-S14 WeakPolarHBondContact OE2-CB 3.04Å; E9-S14 PolarHBondContact OE2-OG 3.01Å; E9-F17 HydrophobicContact CB-CB 4.38Å
10C81.5Confident75.9Confident0 Ų081.9 Ų81.90%041%0.407CS..Hα-helixtrans-55.3-41.1171.3176.40000112.9D6 F7 E8 K12 D13 F17 A170 V174D6-C10 PolarHBondContact O-N 3.11Å; F7-C10 WeakPolarHBondContact O-CB 3.29Å; E8-C10 VanDerWaalsContact C-N 3.33Å; C10-K12 VanDerWaalsContact C-N 3.31Å; C10-K12 PolarHBondContact O-N 2.62Å; C10-D13 PolarHBondContact O-N 3.46Å; C10-F17 HydrophobicContact CB-CD2 4.38Å; C10-F17 HydrophobicContact CB-CE1 4.33Å; C10-F17 HydrophobicContact CB-CE2 3.65Å; C10-F17 HydrophobicContact CB-CZ 3.6Å; C10-A170 WeakPolarHBondContact SG-CB 3.16Å; C10-A170 PolarHBondContact SG-O 2.85Å; C10-A170 VanDerWaalsContact SG-O 3.37Å; C10-V174 HydrophobicContact CB-CG2 4.13Å
11L79.6Confident76.2Confident79 Ų7978.2 Ų78.241%0.41439%0.389SS..Hα-helixtrans-74.7-18.3178.9-67.1177000114.4F7 E8 E9 R167 L171F7-L11 PolarHBondContact O-N 2.94Å; E8-L11 PolarHBondContact O-N 3.12Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 2.96Å; L11-R167 HydrophobicContact CD2-CB 4.12Å; L11-R167 HydrophobicContact CD2-CG 3.92Å; L11-L171 HydrophobicContact CD2-CD1 4.27Å; L11-L171 HydrophobicContact CD2-CD2 4.39Å; L11-L171 HydrophobicContact CD2-CG 4.37Å
12K82.4Confident78.4Confident123 Ų12373.2 Ų73.254%0.53536%0.363SS..Hα-helixtrans-89.7-19.9178.4-63.3170.5-156.1165.10112.8E8 E9 C10 S14E8-K12 WeakPolarHBondContact O-CE 3.42Å; E8-K12 WeakPolarHBondContact O-CG 3.35Å; E9-K12 PolarHBondContact O-N 3.02Å; E9-K12 VanDerWaalsContact O-N 3.12Å; E9-K12 VanDerWaalsContact OE1-CD 3.31Å; E9-K12 WeakPolarHBondContact OE1-CD 3.38Å; E9-K12 WeakPolarHBondContact OE1-CE 3.35Å; E9-K12 IonicContact OE1-NZ 2.69Å; E9-K12 PolarHBondContact OE1-NZ 3.14Å; C10-K12 VanDerWaalsContact C-N 3.31Å; C10-K12 PolarHBondContact O-N 2.62Å; K12-S14 VanDerWaalsContact C-N 3.31Å; K12-S14 PolarHBondContact O-N 3.34Å
13D84.8Confident80.1Confident50 Ų5073 Ų7327%0.26736%0.361SS..THydrogen-bonded Turntrans50.347.4-174.1-160.522000113.1E9 C10 R18 F166E9-D13 PolarHBondContact O-N 3.32Å; E9-D13 VanDerWaalsContact O-N 3.16Å; C10-D13 PolarHBondContact O-N 3.46Å; D13-R18 IonicContact OD1-CZ 2.7Å; D13-R18 IonicContact OD1-NE 3.86Å; D13-R18 PolarHBondContact OD1-NE 3.04Å; D13-R18 IonicContact OD1-NH2 3.61Å; D13-R18 PolarHBondContact OD1-NH2 3.39Å; D13-R18 IonicContact OD2-CZ 3.01Å; D13-R18 IonicContact OD2-NE 3.3Å; D13-R18 IonicContact OD2-NH2 2.7Å; D13-R18 PolarHBondContact OD2-NH2 3.2Å; D13-F166 HydrophobicContact CB-CE1 4.05Å; D13-F166 HydrophobicContact CB-CZ 4.42Å
14S85.3Confident81.1Confident20 Ų2071.1 Ų71.114%0.1435%0.35CS..  trans-70.9149.2-175.268.30000111.6E9 K12 R16 F17 R18E9-S14 WeakPolarHBondContact OE2-CB 3.04Å; E9-S14 PolarHBondContact OE2-OG 3.01Å; K12-S14 VanDerWaalsContact C-N 3.31Å; K12-S14 PolarHBondContact O-N 3.34Å; S14-R16 PolarHBondContact O-N 3.24Å; S14-R16 VanDerWaalsContact O-N 3.08Å; S14-F17 WeakPolarHBondContact O-CA 3.41Å; S14-F17 WeakPolarHBondContact O-CB 3.45Å; S14-F17 PolarHBondContact O-N 2.96Å; S14-F17 WeakPolarHBondContact OG-CB 3.33Å; S14-F17 PolarHBondContact OG-N 2.8Å; S14-R18 PolarHBondContact O-N 3.42Å
15P84.7Confident81.6Confident115 Ų11564 Ų6475%0.74732%0.32SS*.Hα-helixtrans-56.1-27.8173.4-27.235.5000113A19P15-A19 PolarHBondContact O-N 3.26Å; P15-A19 VanDerWaalsContact O-N 3.1Å
16R82.8Confident81.7Confident171 Ų17168.8 Ų68.865%0.64535%0.345SS*.Hα-helixtrans-65.4-49.1171.4179.6179.4171.5-178.9-5.2112.1S14 R18 A19 E20S14-R16 PolarHBondContact O-N 3.24Å; S14-R16 VanDerWaalsContact O-N 3.08Å; R16-R18 VanDerWaalsContact C-N 3.29Å; R16-R18 PolarHBondContact O-N 2.75Å; R16-A19 PolarHBondContact O-N 3.41Å; R16-E20 WeakPolarHBondContact CG-OE1 3.34Å; R16-E20 IonicContact CZ-OE1 3.43Å; R16-E20 IonicContact NE-OE1 2.77Å; R16-E20 PolarHBondContact NE-OE1 3.2Å; R16-E20 IonicContact NH2-OE1 3.15Å; R16-E20 PolarHBondContact NH2-OE1 3.06Å; R16-E20 VanDerWaalsContact NH2-OE1 3.15Å; R16-E20 WeakPolarHBondContact O-CG 3.48Å; R16-E20 PolarHBondContact O-N 2.7Å
17F84.6Confident81.4Confident2 Ų267.6 Ų67.61%0.00934%0.339CS..Hα-helixtrans-57.5-41.6175.4171.9-110.8000111.9E9 C10 S14 E20 I21 V174E9-F17 HydrophobicContact CB-CB 4.38Å; C10-F17 HydrophobicContact CB-CD2 4.38Å; C10-F17 HydrophobicContact CB-CE1 4.33Å; C10-F17 HydrophobicContact CB-CE2 3.65Å; C10-F17 HydrophobicContact CB-CZ 3.6Å; S14-F17 WeakPolarHBondContact O-CA 3.41Å; S14-F17 WeakPolarHBondContact O-CB 3.45Å; S14-F17 PolarHBondContact O-N 2.96Å; S14-F17 WeakPolarHBondContact OG-CB 3.33Å; S14-F17 PolarHBondContact OG-N 2.8Å; F17-E20 PolarHBondContact O-N 3.39Å; F17-I21 HydrophobicContact CD1-CD1 4.25Å; F17-I21 HydrophobicContact CD2-CD1 4.4Å; F17-I21 HydrophobicContact CE1-CD1 3.59Å; F17-I21 HydrophobicContact CE2-CD1 3.75Å; F17-I21 HydrophobicContact CE2-CG1 4.23Å; F17-I21 HydrophobicContact CZ-CD1 3.31Å; F17-I21 HydrophobicContact CZ-CG1 4.27Å; F17-I21 PolarHBondContact O-N 3.21Å; F17-V174 HydrophobicContact CE2-CG2 3.69Å; F17-V174 HydrophobicContact CZ-CG2 3.85Å
18R85.2Confident81Confident71 Ų7163.8 Ų63.827%0.26832%0.323SS..Hα-helixtrans-60.7-46.2174.6-67.9-68.5-177.4145.53.7112.6D13 S14 R16 I21 E22 S131D13-R18 IonicContact OD1-CZ 2.7Å; D13-R18 IonicContact OD1-NE 3.86Å; D13-R18 PolarHBondContact OD1-NE 3.04Å; D13-R18 IonicContact OD1-NH2 3.61Å; D13-R18 PolarHBondContact OD1-NH2 3.39Å; D13-R18 IonicContact OD2-CZ 3.01Å; D13-R18 IonicContact OD2-NE 3.3Å; D13-R18 IonicContact OD2-NH2 2.7Å; D13-R18 PolarHBondContact OD2-NH2 3.2Å; S14-R18 PolarHBondContact O-N 3.42Å; R16-R18 VanDerWaalsContact C-N 3.29Å; R16-R18 PolarHBondContact O-N 2.75Å; R18-I21 PolarHBondContact O-N 3.41Å; R18-E22 PolarHBondContact O-N 3.13Å; R18-S131 PolarHBondContact NH1-OG 2.92Å; R18-S131 PolarHBondContact NH2-OG 3.17Å
19A84.9Confident80.4Confident50 Ų5060.3 Ų60.341%0.41331%0.313SS..Hα-helixtrans-65.1-39.2176.400000112.7P15 R16 I21 E22 V23P15-A19 PolarHBondContact O-N 3.26Å; P15-A19 VanDerWaalsContact O-N 3.1Å; R16-A19 PolarHBondContact O-N 3.41Å; A19-I21 VanDerWaalsContact C-N 3.34Å; A19-E22 PolarHBondContact O-N 2.86Å; A19-V23 WeakPolarHBondContact O-CG2 3.25Å; A19-V23 PolarHBondContact O-N 2.71Å; A19-V23 VanDerWaalsContact O-N 3.13Å
20E82.5Confident79.9Confident57 Ų5762.8 Ų62.827%0.26632%0.324SS..Hα-helixtrans-66-35.6175.8-70.1179.4-167.100111.7L5 R16 F17 V24L5-E20 HydrophobicContact CD2-CB 3.74Å; R16-E20 WeakPolarHBondContact CG-OE1 3.34Å; R16-E20 IonicContact CZ-OE1 3.43Å; R16-E20 IonicContact NE-OE1 2.77Å; R16-E20 PolarHBondContact NE-OE1 3.2Å; R16-E20 IonicContact NH2-OE1 3.15Å; R16-E20 PolarHBondContact NH2-OE1 3.06Å; R16-E20 VanDerWaalsContact NH2-OE1 3.15Å; R16-E20 WeakPolarHBondContact O-CG 3.48Å; R16-E20 PolarHBondContact O-N 2.7Å; F17-E20 PolarHBondContact O-N 3.39Å; E20-V24 WeakPolarHBondContact O-CG2 3.45Å; E20-V24 PolarHBondContact O-N 3.41Å
21I82.8Confident79Confident5 Ų566.1 Ų66.13%0.02634%0.337CS..Hα-helixtrans-65.1-45.2170.1-81.1179.5000112L5 F17 R18 A19 V23 V24 Q25 F127 Y173L5-I21 HydrophobicContact CD1-CG1 4.05Å; F17-I21 HydrophobicContact CD1-CD1 4.25Å; F17-I21 HydrophobicContact CD2-CD1 4.4Å; F17-I21 HydrophobicContact CE1-CD1 3.59Å; F17-I21 HydrophobicContact CE2-CD1 3.75Å; F17-I21 HydrophobicContact CE2-CG1 4.23Å; F17-I21 HydrophobicContact CZ-CD1 3.31Å; F17-I21 HydrophobicContact CZ-CG1 4.27Å; F17-I21 PolarHBondContact O-N 3.21Å; R18-I21 PolarHBondContact O-N 3.41Å; A19-I21 VanDerWaalsContact C-N 3.34Å; I21-V23 VanDerWaalsContact C-N 3.31Å; I21-V23 PolarHBondContact O-N 3.03Å; I21-V24 CarbonylContact O-C 3.59Å; I21-V24 PolarHBondContact O-N 2.96Å; I21-V24 VanDerWaalsContact O-N 3.07Å; I21-Q25 HydrophobicContact CG2-CG 4.09Å; I21-Q25 WeakPolarHBondContact O-CG 2.91Å; I21-Q25 PolarHBondContact O-N 3.28Å; I21-F127 HydrophobicContact CD1-CE1 4.09Å; I21-F127 HydrophobicContact CD1-CZ 3.84Å; I21-F127 HydrophobicContact CG2-CE1 4.45Å; I21-Y173 HydrophobicContact CD1-CD1 4.17Å; I21-Y173 HydrophobicContact CD1-CE1 4.12Å; I21-Y173 HydrophobicContact CG1-CE1 4.44Å; I21-Y173 HydrophobicContact CG2-CE1 3.98Å
22E82.2Confident78.4Confident116 Ų11665.7 Ų65.754%0.54233%0.333SS..Hα-helixtrans-60.2-41.3-178.4-171.7-178.6176.500111.7R18 A19 V24 Q25 N26R18-E22 PolarHBondContact O-N 3.13Å; A19-E22 PolarHBondContact O-N 2.86Å; E22-V24 PolarHBondContact O-N 3.01Å; E22-Q25 PolarHBondContact O-N 3.03Å; E22-N26 PolarHBondContact O-N 3.38Å; E22-N26 PolarHBondContact O-ND2 3.48Å
23V82.4Confident78.2Confident84 Ų8464 Ų6451%0.50933%0.333SS..Hα-helixtrans-58.9-46.9172.4172.40000111.1A19 I21 Q25 N26 D27A19-V23 WeakPolarHBondContact O-CG2 3.25Å; A19-V23 PolarHBondContact O-N 2.71Å; A19-V23 VanDerWaalsContact O-N 3.13Å; I21-V23 VanDerWaalsContact C-N 3.31Å; I21-V23 PolarHBondContact O-N 3.03Å; V23-Q25 VanDerWaalsContact C-N 3.35Å; V23-Q25 PolarHBondContact O-N 2.89Å; V23-N26 PolarHBondContact O-N 3.46Å; V23-D27 WeakPolarHBondContact O-CB 3.19Å; V23-D27 PolarHBondContact O-N 3.33Å
24V78.2Confident77.9Confident14 Ų1469 Ų699%0.08535%0.348CS..Hα-helixtrans-63.7-38.3177.6172.30000111.9V3 E20 I21 E22 D27 V28 I177V3-V24 HydrophobicContact CB-CG2 4.43Å; V3-V24 HydrophobicContact CG1-CG2 4.15Å; E20-V24 WeakPolarHBondContact O-CG2 3.45Å; E20-V24 PolarHBondContact O-N 3.41Å; I21-V24 CarbonylContact O-C 3.59Å; I21-V24 PolarHBondContact O-N 2.96Å; I21-V24 VanDerWaalsContact O-N 3.07Å; E22-V24 PolarHBondContact O-N 3.01Å; V24-D27 PolarHBondContact O-N 3.46Å; V24-V28 HydrophobicContact CG1-CG2 4.28Å; V24-V28 WeakPolarHBondContact O-CB 3.22Å; V24-V28 VanDerWaalsContact O-CG2 3.28Å; V24-V28 WeakPolarHBondContact O-CG2 3.41Å; V24-V28 PolarHBondContact O-N 3.02Å; V24-I177 HydrophobicContact CG1-CD1 4.12Å; V24-I177 HydrophobicContact CG1-CG1 4.06Å; V24-I177 HydrophobicContact CG1-CG2 3.85Å
25Q75.2Confident77.5Confident27 Ų2768.8 Ų68.813%0.12635%0.346CS..Hα-helixtrans-66.4-41.2179-76-178.3-7.900113.3I21 E22 V23 S29 Y173I21-Q25 HydrophobicContact CG2-CG 4.09Å; I21-Q25 WeakPolarHBondContact O-CG 2.91Å; I21-Q25 PolarHBondContact O-N 3.28Å; E22-Q25 PolarHBondContact O-N 3.03Å; V23-Q25 VanDerWaalsContact C-N 3.35Å; V23-Q25 PolarHBondContact O-N 2.89Å; Q25-S29 PolarHBondContact O-N 3.09Å; Q25-S29 PolarHBondContact O-OG 2.66Å; Q25-Y173 VanDerWaalsContact CG-OH 3.24Å; Q25-Y173 WeakPolarHBondContact CG-OH 3.14Å; Q25-Y173 PolarHBondContact NE2-OH 3.17Å
26N76.8Confident77.3Confident103 Ų10366.1 Ų66.155%0.55133%0.325SS*.Hα-helixtrans-65.6-46.9174.2-72.9-36.7000110.6E22 V23 V28 S29 E30E22-N26 PolarHBondContact O-N 3.38Å; E22-N26 PolarHBondContact O-ND2 3.48Å; V23-N26 PolarHBondContact O-N 3.46Å; N26-V28 PolarHBondContact O-N 2.93Å; N26-S29 PolarHBondContact O-N 2.77Å; N26-E30 PolarHBondContact O-N 3.01Å
27D73.6Confident77.5Confident62 Ų6264.2 Ų64.233%0.33232%0.322SS..Hα-helixtrans-56.9-46.5175.3-101.733.4000112V23 V24 S29 E30 R31V23-D27 WeakPolarHBondContact O-CB 3.19Å; V23-D27 PolarHBondContact O-N 3.33Å; V24-D27 PolarHBondContact O-N 3.46Å; D27-S29 VanDerWaalsContact C-N 3.31Å; D27-S29 PolarHBondContact O-N 3.24Å; D27-E30 PolarHBondContact O-N 2.95Å; D27-R31 VanDerWaalsContact O-CB 3.24Å; D27-R31 WeakPolarHBondContact O-CB 3.46Å; D27-R31 WeakPolarHBondContact O-CD 3.46Å; D27-R31 WeakPolarHBondContact O-CG 3.1Å; D27-R31 PolarHBondContact O-N 2.82Å; D27-R31 IonicContact OD2-CZ 2.6Å; D27-R31 IonicContact OD2-NE 2.65Å; D27-R31 PolarHBondContact OD2-NE 2.8Å; D27-R31 IonicContact OD2-NH2 3.87Å; D27-R31 PolarHBondContact OD2-NH2 3.02Å
28V71.3Confident77.4Confident10 Ų1067.3 Ų67.36%0.06134%0.338CS..Hα-helixtrans-62.2-38.4179.7168.80000111.9V24 N26 R31 E32 F120 F180V24-V28 HydrophobicContact CG1-CG2 4.28Å; V24-V28 WeakPolarHBondContact O-CB 3.22Å; V24-V28 VanDerWaalsContact O-CG2 3.28Å; V24-V28 WeakPolarHBondContact O-CG2 3.41Å; V24-V28 PolarHBondContact O-N 3.02Å; N26-V28 PolarHBondContact O-N 2.93Å; V28-R31 CarbonylContact O-C 3.57Å; V28-R31 PolarHBondContact O-N 2.92Å; V28-E32 PolarHBondContact O-N 2.8Å; V28-F120 HydrophobicContact CB-CE1 4.1Å; V28-F120 HydrophobicContact CB-CZ 4.47Å; V28-F120 HydrophobicContact CG1-CD1 3.84Å; V28-F120 HydrophobicContact CG1-CE1 3.64Å; V28-F120 HydrophobicContact CG1-CZ 4.38Å; V28-F120 HydrophobicContact CG2-CE1 3.94Å; V28-F120 HydrophobicContact CG2-CE2 4.49Å; V28-F120 HydrophobicContact CG2-CZ 3.84Å; V28-F180 HydrophobicContact CG2-CE1 4.31Å
29S67.9Low77.4Confident55 Ų5564.7 Ų64.739%0.38533%0.33SS..Hα-helixtrans-65.7-41.2-179.3-54.50000111.7Q25 N26 D27 E32Q25-S29 PolarHBondContact O-N 3.09Å; Q25-S29 PolarHBondContact O-OG 2.66Å; N26-S29 PolarHBondContact O-N 2.77Å; D27-S29 VanDerWaalsContact C-N 3.31Å; D27-S29 PolarHBondContact O-N 3.24Å; S29-E32 PolarHBondContact O-N 3.23Å
30E68.8Low77.6Confident104 Ų10468.6 Ų68.649%0.48634%0.338SS..Hα-helixtrans-68.9-37.3172.2-162.6-176.5-16800111.8N26 D27 E32 T33 R34N26-E30 PolarHBondContact O-N 3.01Å; D27-E30 PolarHBondContact O-N 2.95Å; E30-E32 VanDerWaalsContact C-N 3.29Å; E30-E32 PolarHBondContact O-N 3.21Å; E30-T33 PolarHBondContact O-N 3.46Å; E30-T33 PolarHBondContact O-OG1 3.38Å; E30-R34 PolarHBondContact O-N 3.15Å; E30-R34 IonicContact OE1-CZ 2.64Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 3.25Å; E30-R34 IonicContact OE1-NH2 3.33Å; E30-R34 PolarHBondContact OE1-NH2 3.36Å; E30-R34 IonicContact OE2-NH2 3.77Å; E30-R34 PolarHBondContact OE2-NH2 3.36Å
31R63.4Low77.9Confident70 Ų7071.2 Ų71.226%0.26435%0.35SS..Hα-helixtrans-72.7-9.1177.2-65.8161.9-174.9-159.82.8114.4D27 V28 P35 E181D27-R31 VanDerWaalsContact O-CB 3.24Å; D27-R31 WeakPolarHBondContact O-CB 3.46Å; D27-R31 WeakPolarHBondContact O-CD 3.46Å; D27-R31 WeakPolarHBondContact O-CG 3.1Å; D27-R31 PolarHBondContact O-N 2.82Å; D27-R31 IonicContact OD2-CZ 2.6Å; D27-R31 IonicContact OD2-NE 2.65Å; D27-R31 PolarHBondContact OD2-NE 2.8Å; D27-R31 IonicContact OD2-NH2 3.87Å; D27-R31 PolarHBondContact OD2-NH2 3.02Å; V28-R31 CarbonylContact O-C 3.57Å; V28-R31 PolarHBondContact O-N 2.92Å; R31-P35 WeakPolarHBondContact O-CD 3.44Å; R31-P35 WeakPolarHBondContact O-CG 3.46Å; R31-E181 IonicContact CZ-OE2 2.64Å; R31-E181 IonicContact NH1-OE2 3.93Å; R31-E181 PolarHBondContact NH1-OE2 3.05Å; R31-E181 IonicContact NH2-OE2 2.99Å
32E67.6Low78.2Confident71 Ų7171.4 Ų71.433%0.33235%0.352SS..Hα-helixtrans-82.1-45.9170175.9175.4-174.500111V28 S29 E30 R34 P35 D36 V117V28-E32 PolarHBondContact O-N 2.8Å; S29-E32 PolarHBondContact O-N 3.23Å; E30-E32 VanDerWaalsContact C-N 3.29Å; E30-E32 PolarHBondContact O-N 3.21Å; E32-R34 PolarHBondContact O-N 2.86Å; E32-P35 WeakPolarHBondContact O-CD 3.45Å; E32-D36 PolarHBondContact O-N 3.02Å; E32-V117 HydrophobicContact CB-CG1 4.26Å; E32-V117 HydrophobicContact CG-CG1 3.97Å
33T76.5Confident78.5Confident87 Ų8768.3 Ų68.353%0.53434%0.337SS..Hα-helixtrans-67.7-33.7-175.465.20000113.4E30 K37E30-T33 PolarHBondContact O-N 3.46Å; E30-T33 PolarHBondContact O-OG1 3.38Å; T33-K37 WeakPolarHBondContact O-CB 3.3Å; T33-K37 PolarHBondContact O-N 2.93Å; T33-K37 VanDerWaalsContact O-N 3.12Å
34R79.5Confident79Confident154 Ų15467.3 Ų67.358%0.58134%0.337SS*.Hα-helixtrans-69.7-48.8-177.1-65.6174179-159.94.5112.6E30 E32 K37 L38E30-R34 PolarHBondContact O-N 3.15Å; E30-R34 IonicContact OE1-CZ 2.64Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 3.25Å; E30-R34 IonicContact OE1-NH2 3.33Å; E30-R34 PolarHBondContact OE1-NH2 3.36Å; E30-R34 IonicContact OE2-NH2 3.77Å; E30-R34 PolarHBondContact OE2-NH2 3.36Å; E32-R34 PolarHBondContact O-N 2.86Å; R34-K37 PolarHBondContact O-N 3.01Å; R34-L38 WeakPolarHBondContact O-CB 3.15Å; R34-L38 PolarHBondContact O-N 3.36Å
35P76.8Confident79.6Confident17 Ų1771.5 Ų71.511%0.1136%0.357CS..Hα-helixtrans-63.4-40.4173.9-26.336.9000114.5R31 E32 K37 L38 V39 F112 V113R31-P35 WeakPolarHBondContact O-CD 3.44Å; R31-P35 WeakPolarHBondContact O-CG 3.46Å; E32-P35 WeakPolarHBondContact O-CD 3.45Å; P35-K37 VanDerWaalsContact C-N 3.35Å; P35-K37 PolarHBondContact O-N 3.5Å; P35-L38 CarbonylContact O-C 3.48Å; P35-L38 PolarHBondContact O-N 3.43Å; P35-L38 VanDerWaalsContact O-N 3.16Å; P35-V39 WeakPolarHBondContact O-CG2 3.47Å; P35-V39 PolarHBondContact O-N 3.26Å; P35-F112 HydrophobicContact CG-CE1 4.46Å; P35-V113 HydrophobicContact CB-CG2 3.68Å
36D81.1Confident80.4Confident58 Ų5870.3 Ų70.331%0.3135%0.352SS..Hα-helixtrans-63.3-41.7176.9174.170.1000111.5E32 L38 V39 K40E32-D36 PolarHBondContact O-N 3.02Å; D36-L38 VanDerWaalsContact C-N 3.35Å; D36-L38 PolarHBondContact O-N 3.05Å; D36-V39 PolarHBondContact O-N 3.36Å; D36-K40 WeakPolarHBondContact O-CG 3.29Å; D36-K40 PolarHBondContact O-N 3.41Å; D36-K40 IonicContact OD1-NZ 2.94Å; D36-K40 VanDerWaalsContact OD2-CE 3.25Å; D36-K40 WeakPolarHBondContact OD2-CE 3.41Å; D36-K40 IonicContact OD2-NZ 3.73Å; D36-K40 PolarHBondContact OD2-NZ 2.89Å
37K86.4Confident81.2Confident132 Ų13269.6 Ų69.657%0.57435%0.345SS*.Hα-helixtrans-60.6-42.7171.3-173.6175.9-179.6178.80111.9T33 R34 P35 K40 Q41T33-K37 WeakPolarHBondContact O-CB 3.3Å; T33-K37 PolarHBondContact O-N 2.93Å; T33-K37 VanDerWaalsContact O-N 3.12Å; R34-K37 PolarHBondContact O-N 3.01Å; P35-K37 VanDerWaalsContact C-N 3.35Å; P35-K37 PolarHBondContact O-N 3.5Å; K37-K40 PolarHBondContact O-N 3.23Å; K37-Q41 WeakPolarHBondContact O-CG 3.27Å; K37-Q41 PolarHBondContact O-N 2.87Å
38L83.3Confident82.2Confident66 Ų6669.6 Ų69.635%0.34635%0.354SS..Hα-helixtrans-65.3-40177.6-176.362.4000112.2R34 P35 D36 Q41 C42 L109 M192R34-L38 WeakPolarHBondContact O-CB 3.15Å; R34-L38 PolarHBondContact O-N 3.36Å; P35-L38 CarbonylContact O-C 3.48Å; P35-L38 PolarHBondContact O-N 3.43Å; P35-L38 VanDerWaalsContact O-N 3.16Å; D36-L38 VanDerWaalsContact C-N 3.35Å; D36-L38 PolarHBondContact O-N 3.05Å; L38-Q41 PolarHBondContact O-N 3.02Å; L38-C42 VanDerWaalsContact O-CB 3.24Å; L38-C42 WeakPolarHBondContact O-CB 3.45Å; L38-C42 PolarHBondContact O-N 2.98Å; L38-L109 HydrophobicContact CD2-CD1 3.86Å; L38-L109 HydrophobicContact CG-CD1 4.19Å; L38-M192 HydrophobicContact CD2-CE 4.5Å
39V84.5Confident83.1Confident16 Ų1669.8 Ų69.810%0.09736%0.358CS..Hα-helixtrans-62.9-42.4174.3169.10000110.8P35 D36 C42 Q43 L109P35-V39 WeakPolarHBondContact O-CG2 3.47Å; P35-V39 PolarHBondContact O-N 3.26Å; D36-V39 PolarHBondContact O-N 3.36Å; V39-C42 PolarHBondContact O-N 2.92Å; V39-Q43 WeakPolarHBondContact O-CB 3.45Å; V39-Q43 PolarHBondContact O-N 3.22Å; V39-L109 HydrophobicContact CG2-CB 3.5Å; V39-L109 HydrophobicContact CG2-CD1 4.43Å
40K89.1Confident84.3Confident132 Ų13270.9 Ų70.957%0.57435%0.353SS*.Hα-helixtrans-63.6-42.5175-73.4166178.7166.10112.3D36 K37 Q43 A44D36-K40 WeakPolarHBondContact O-CG 3.29Å; D36-K40 PolarHBondContact O-N 3.41Å; D36-K40 IonicContact OD1-NZ 2.94Å; D36-K40 VanDerWaalsContact OD2-CE 3.25Å; D36-K40 WeakPolarHBondContact OD2-CE 3.41Å; D36-K40 IonicContact OD2-NZ 3.73Å; D36-K40 PolarHBondContact OD2-NZ 2.89Å; K37-K40 PolarHBondContact O-N 3.23Å; K40-Q43 PolarHBondContact O-N 3.24Å; K40-A44 PolarHBondContact O-N 3.07Å
41Q89.7Confident85.5Confident112 Ų11270 Ų7052%0.52336%0.355SS..Hα-helixtrans-66-45175.8-73.4175.9-45.600112.2K37 L38 Q43 A44 M45K37-Q41 WeakPolarHBondContact O-CG 3.27Å; K37-Q41 PolarHBondContact O-N 2.87Å; L38-Q41 PolarHBondContact O-N 3.02Å; Q41-Q43 VanDerWaalsContact C-N 3.3Å; Q41-Q43 PolarHBondContact O-N 3.13Å; Q41-A44 PolarHBondContact O-N 3.12Å; Q41-M45 WeakPolarHBondContact O-CB 3.48Å; Q41-M45 PolarHBondContact O-N 3.42Å
42C88.1Confident86.9Confident9 Ų972.6 Ų72.66%0.06137%0.366CS..Hα-helixtrans-58.5-42.3173.7-179.50000111.1L38 V39 M45 L46L38-C42 VanDerWaalsContact O-CB 3.24Å; L38-C42 WeakPolarHBondContact O-CB 3.45Å; L38-C42 PolarHBondContact O-N 2.98Å; V39-C42 PolarHBondContact O-N 2.92Å; C42-M45 WeakPolarHBondContact O-CB 3.32Å; C42-M45 PolarHBondContact O-N 3.26Å; C42-L46 WeakPolarHBondContact O-CB 3.45Å; C42-L46 VanDerWaalsContact O-CG 3.25Å; C42-L46 WeakPolarHBondContact O-CG 3.46Å; C42-L46 PolarHBondContact O-N 3.08Å
43Q89.4Confident88Confident52 Ų5269.8 Ų69.824%0.24335%0.354CS..Hα-helixtrans-65.2-41.1176.817753.923.200112.9V39 K40 Q41 L46 E47 R106V39-Q43 WeakPolarHBondContact O-CB 3.45Å; V39-Q43 PolarHBondContact O-N 3.22Å; K40-Q43 PolarHBondContact O-N 3.24Å; Q41-Q43 VanDerWaalsContact C-N 3.3Å; Q41-Q43 PolarHBondContact O-N 3.13Å; Q43-L46 PolarHBondContact O-N 2.64Å; Q43-E47 PolarHBondContact NE2-OE2 3.26Å; Q43-E47 WeakPolarHBondContact O-CB 3.4Å; Q43-E47 PolarHBondContact O-N 2.85Å; Q43-R106 VanDerWaalsContact CD-NH1 3.31Å
44A92.6Very high88.8Confident62 Ų6271.4 Ų71.451%0.51236%0.355SS..Hα-helixtrans-63.8-40.7175.100000112K40 Q41 E47 A48K40-A44 PolarHBondContact O-N 3.07Å; Q41-A44 PolarHBondContact O-N 3.12Å; A44-E47 PolarHBondContact O-N 2.83Å; A44-A48 WeakPolarHBondContact O-CB 3.4Å; A44-A48 PolarHBondContact O-N 3.08Å
45M91Very high89.5Confident102 Ų10268.3 Ų68.350%0.50235%0.354SS..Hα-helixtrans-62.1-44.8174.5-178.9-173.576.900112.1Q41 C42 G49 I101Q41-M45 WeakPolarHBondContact O-CB 3.48Å; Q41-M45 PolarHBondContact O-N 3.42Å; C42-M45 WeakPolarHBondContact O-CB 3.32Å; C42-M45 PolarHBondContact O-N 3.26Å; M45-G49 PolarHBondContact O-N 2.8Å; M45-I101 HydrophobicContact CE-CG2 3.99Å
46L91.2Very high90.3Very high3 Ų368.2 Ų68.22%0.01635%0.353CS..Hα-helixtrans-63.8-40176.9-72.1168.7000112C42 Q43 G49 R50 I98 I101 Q102 R106C42-L46 WeakPolarHBondContact O-CB 3.45Å; C42-L46 VanDerWaalsContact O-CG 3.25Å; C42-L46 WeakPolarHBondContact O-CG 3.46Å; C42-L46 PolarHBondContact O-N 3.08Å; Q43-L46 PolarHBondContact O-N 2.64Å; L46-G49 PolarHBondContact O-N 2.89Å; L46-R50 PolarHBondContact O-N 3.49Å; L46-I98 HydrophobicContact CD2-CB 4.44Å; L46-I98 HydrophobicContact CD2-CG2 3.81Å; L46-I98 VanDerWaalsContact CD2-O 3.25Å; L46-I98 WeakPolarHBondContact CD2-O 3.46Å; L46-I101 HydrophobicContact CD2-CB 4.03Å; L46-I101 HydrophobicContact CD2-CG2 3.9Å; L46-I101 HydrophobicContact CG-CG2 4.49Å; L46-Q102 HydrophobicContact CD1-CB 3.93Å; L46-Q102 HydrophobicContact CD1-CG 4.34Å; L46-Q102 HydrophobicContact CD2-CB 4.28Å; L46-R106 HydrophobicContact CD1-CB 4.12Å
47E93.1Very high90.8Very high87 Ų8768.9 Ų68.941%0.40735%0.354SS..Hα-helixtrans-66.2-49.3178.5-158.159.7-127.600111.8Q43 A44 G49 R50 V51Q43-E47 PolarHBondContact NE2-OE2 3.26Å; Q43-E47 WeakPolarHBondContact O-CB 3.4Å; Q43-E47 PolarHBondContact O-N 2.85Å; A44-E47 PolarHBondContact O-N 2.83Å; E47-G49 VanDerWaalsContact C-N 3.25Å; E47-G49 PolarHBondContact O-N 3.05Å; E47-R50 PolarHBondContact O-N 3.24Å; E47-R50 VanDerWaalsContact O-N 3.16Å; E47-R50 IonicContact OE1-NH1 2.7Å; E47-R50 PolarHBondContact OE1-NH1 2.97Å; E47-R50 IonicContact OE2-CZ 2.65Å; E47-R50 IonicContact OE2-NH1 3.15Å; E47-R50 PolarHBondContact OE2-NH1 3.29Å; E47-V51 WeakPolarHBondContact O-CG2 3.16Å; E47-V51 PolarHBondContact O-N 3.08Å
48A94.2Very high91.1Very high63 Ų6365.9 Ų65.952%0.52135%0.349SS..Hα-helixtrans-58.4-39.3173.900000111.7A44 V51 Y52A44-A48 WeakPolarHBondContact O-CB 3.4Å; A44-A48 PolarHBondContact O-N 3.08Å; A48-V51 PolarHBondContact O-N 3.03Å; A48-Y52 WeakPolarHBondContact O-CB 3.46Å; A48-Y52 PolarHBondContact O-N 3.05Å
49G91.3Very high91.6Very high13 Ų1368.9 Ų68.913%0.13436%0.36CS..Hα-helixtrans-61.1-43.9174.400000113.5M45 L46 E47 Y52 C53 I98M45-G49 PolarHBondContact O-N 2.8Å; L46-G49 PolarHBondContact O-N 2.89Å; E47-G49 VanDerWaalsContact C-N 3.25Å; E47-G49 PolarHBondContact O-N 3.05Å; G49-Y52 PolarHBondContact O-N 2.99Å; G49-C53 WeakPolarHBondContact O-CB 3.37Å; G49-C53 PolarHBondContact O-N 2.8Å; G49-I98 WeakPolarHBondContact O-CD1 3.13Å
50R92.2Very high92.1Very high78 Ų7868.2 Ų68.229%0.29436%0.356SS..Hα-helixtrans-66.1-43.5176.6-71.5-165-134.2867.5112L46 E47 Y52 C53 Q54 I98L46-R50 PolarHBondContact O-N 3.49Å; E47-R50 PolarHBondContact O-N 3.24Å; E47-R50 VanDerWaalsContact O-N 3.16Å; E47-R50 IonicContact OE1-NH1 2.7Å; E47-R50 PolarHBondContact OE1-NH1 2.97Å; E47-R50 IonicContact OE2-CZ 2.65Å; E47-R50 IonicContact OE2-NH1 3.15Å; E47-R50 PolarHBondContact OE2-NH1 3.29Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; R50-Y52 PolarHBondContact O-N 2.87Å; R50-C53 PolarHBondContact O-N 3.25Å; R50-Q54 WeakPolarHBondContact O-CB 3.44Å; R50-Q54 PolarHBondContact O-N 2.76Å; R50-I98 HydrophobicContact CG-CG2 3.77Å
51V94.1Very high92.1Very high87 Ų8764.1 Ų64.153%0.52734%0.344SS..Hα-helixtrans-60.8-43176.1174.40000110.8E47 A48 T55E47-V51 WeakPolarHBondContact O-CG2 3.16Å; E47-V51 PolarHBondContact O-N 3.08Å; A48-V51 PolarHBondContact O-N 3.03Å; V51-T55 WeakPolarHBondContact O-CB 3.24Å; V51-T55 PolarHBondContact O-N 2.76Å; V51-T55 PolarHBondContact O-OG1 2.58Å
52Y92.8Very high92.2Very high124 Ų12460.5 Ų60.549%0.48634%0.336SS..Hα-helixtrans-60.4-53.2174.1173.1-103000111.9A48 G49 R50 Q54 T55 S56 F91A48-Y52 WeakPolarHBondContact O-CB 3.46Å; A48-Y52 PolarHBondContact O-N 3.05Å; G49-Y52 PolarHBondContact O-N 2.99Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; R50-Y52 PolarHBondContact O-N 2.87Å; Y52-Q54 VanDerWaalsContact C-N 3.35Å; Y52-Q54 PolarHBondContact O-N 2.84Å; Y52-T55 PolarHBondContact O-N 3.49Å; Y52-S56 VanDerWaalsContact O-CB 3.32Å; Y52-S56 WeakPolarHBondContact O-CB 3.39Å; Y52-S56 PolarHBondContact O-N 2.92Å; Y52-S56 PolarHBondContact O-OG 3.15Å; Y52-S56 VanDerWaalsContact O-OG 3.04Å; Y52-F91 HydrophobicContact CE1-CE1 4.32Å
53C92.3Very high92.3Very high12 Ų1261.8 Ų61.88%0.08134%0.342CS..Hα-helixtrans-56.3-46.5178.7179.80000111.9G49 R50 S56 K57 F91 I98G49-C53 WeakPolarHBondContact O-CB 3.37Å; G49-C53 PolarHBondContact O-N 2.8Å; R50-C53 PolarHBondContact O-N 3.25Å; C53-S56 PolarHBondContact O-N 3.38Å; C53-K57 WeakPolarHBondContact O-CG 3.41Å; C53-K57 PolarHBondContact O-N 3.19Å; C53-K57 VanDerWaalsContact SG-CE 3.57Å; C53-F91 PolarHBondContact SG-O 2.99Å; C53-I98 HydrophobicContact CB-CD1 4.42Å
54Q92Very high92.2Very high120 Ų12063 Ų6356%0.56135%0.345SS*.Hα-helixtrans-62.8-46.3178.5-176.858.943.200112.2R50 Y52 K57 S58R50-Q54 WeakPolarHBondContact O-CB 3.44Å; R50-Q54 PolarHBondContact O-N 2.76Å; Y52-Q54 VanDerWaalsContact C-N 3.35Å; Y52-Q54 PolarHBondContact O-N 2.84Å; Q54-K57 PolarHBondContact O-N 3.05Å; Q54-S58 PolarHBondContact O-N 2.89Å; Q54-S58 PolarHBondContact O-OG 3.02Å
55T94.6Very high91.9Very high89 Ų8965.1 Ų65.155%0.54634%0.344SS..Hα-helixtrans-64.9-41.6180-52.40000110.9V51 Y52 S58 F59V51-T55 WeakPolarHBondContact O-CB 3.24Å; V51-T55 PolarHBondContact O-N 2.76Å; V51-T55 PolarHBondContact O-OG1 2.58Å; Y52-T55 PolarHBondContact O-N 3.49Å; T55-S58 PolarHBondContact O-N 2.9Å; T55-F59 PolarHBondContact O-N 3.33Å
56S93.3Very high91.7Very high15 Ų1563.2 Ų63.211%0.10534%0.336CS..Hα-helixtrans-63.5-39.3175.9-67.20000112.8Y52 C53 F59 V60Y52-S56 VanDerWaalsContact O-CB 3.32Å; Y52-S56 WeakPolarHBondContact O-CB 3.39Å; Y52-S56 PolarHBondContact O-N 2.92Å; Y52-S56 PolarHBondContact O-OG 3.15Å; Y52-S56 VanDerWaalsContact O-OG 3.04Å; C53-S56 PolarHBondContact O-N 3.38Å; S56-F59 PolarHBondContact O-N 2.93Å; S56-V60 WeakPolarHBondContact O-CG2 3.36Å; S56-V60 PolarHBondContact O-N 3.08Å
57K91.8Very high91.3Very high73 Ų7363.2 Ų63.232%0.31734%0.336SS..Hα-helixtrans-64.7-40.6173.2-73.3-178.1-175.6-168.60112.3C53 Q54 V60 S61 F91 D92C53-K57 WeakPolarHBondContact O-CG 3.41Å; C53-K57 PolarHBondContact O-N 3.19Å; C53-K57 VanDerWaalsContact SG-CE 3.57Å; Q54-K57 PolarHBondContact O-N 3.05Å; K57-V60 PolarHBondContact O-N 3.02Å; K57-S61 PolarHBondContact O-N 3.14Å; K57-F91 HydrophobicContact CG-CB 4.2Å; K57-D92 WeakPolarHBondContact CE-OD1 3.39Å; K57-D92 IonicContact NZ-OD1 3.4Å; K57-D92 PolarHBondContact NZ-OD1 3.08Å
58S93.4Very high90.7Very high69 Ų6964.4 Ų64.448%0.48334%0.342SS..Hα-helixtrans-63.1-39.6173.1-67.10000112.5Q54 T55 S61 G62Q54-S58 PolarHBondContact O-N 2.89Å; Q54-S58 PolarHBondContact O-OG 3.02Å; T55-S58 PolarHBondContact O-N 2.9Å; S58-S61 WeakPolarHBondContact O-CB 3.37Å; S58-S61 PolarHBondContact O-N 2.96Å; S58-G62 PolarHBondContact O-N 3.28Å; S58-G62 VanDerWaalsContact O-N 3.08Å
59F93.8Very high89.9Confident128 Ų12868.3 Ų68.356%0.56135%0.349SS*.Hα-helixtrans-61.3-42.9173.5174.1-106.7000112.3T55 S56 S61 G62 L63T55-F59 PolarHBondContact O-N 3.33Å; S56-F59 PolarHBondContact O-N 2.93Å; F59-S61 VanDerWaalsContact C-N 3.32Å; F59-S61 PolarHBondContact O-N 2.65Å; F59-G62 PolarHBondContact O-N 3.12Å; F59-L63 HydrophobicContact CD1-CD1 4.22Å; F59-L63 HydrophobicContact CE1-CD1 3.67Å; F59-L63 HydrophobicContact CE1-CG 4.21Å; F59-L63 HydrophobicContact CE2-CD2 4.44Å; F59-L63 HydrophobicContact CE2-CG 4.49Å; F59-L63 HydrophobicContact CZ-CD1 3.98Å; F59-L63 HydrophobicContact CZ-CD2 4.12Å; F59-L63 HydrophobicContact CZ-CG 4.14Å; F59-L63 PolarHBondContact O-N 3.34Å
60V93.6Very high88.9Confident3 Ų373.2 Ų73.22%0.01836%0.364CS..Hα-helixtrans-64.4-32.6174.9170.70000112.6S56 K57 R64 S84 L87 F91S56-V60 WeakPolarHBondContact O-CG2 3.36Å; S56-V60 PolarHBondContact O-N 3.08Å; K57-V60 PolarHBondContact O-N 3.02Å; V60-R64 PolarHBondContact O-N 3.43Å; V60-S84 VanDerWaalsContact CG1-O 3.28Å; V60-S84 WeakPolarHBondContact CG1-O 3.33Å; V60-L87 HydrophobicContact CG2-CB 3.75Å; V60-L87 HydrophobicContact CG2-CD1 4.41Å; V60-F91 HydrophobicContact CG2-CD2 3.89Å; V60-F91 HydrophobicContact CG2-CE2 3.7Å
61S90.9Very high87.3Confident46 Ų4674.4 Ų74.432%0.32238%0.379SS..Hα-helixtrans-62.9-48170.1-161.60000111.3K57 S58 F59 L63 R64 E65K57-S61 PolarHBondContact O-N 3.14Å; S58-S61 WeakPolarHBondContact O-CB 3.37Å; S58-S61 PolarHBondContact O-N 2.96Å; F59-S61 VanDerWaalsContact C-N 3.32Å; F59-S61 PolarHBondContact O-N 2.65Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 3.1Å; S61-R64 WeakPolarHBondContact O-CB 3.19Å; S61-R64 PolarHBondContact O-N 2.73Å; S61-E65 WeakPolarHBondContact CB-OE1 3.47Å; S61-E65 WeakPolarHBondContact O-CG 3.41Å; S61-E65 PolarHBondContact O-N 2.81Å; S61-E65 PolarHBondContact OG-OE1 2.9Å
62G91.1Very high85.7Confident35 Ų3576.9 Ų76.936%0.36140%0.395SS..Hα-helixtrans-59.6-36.4178.500000113.9S58 F59 E65 L66S58-G62 PolarHBondContact O-N 3.28Å; S58-G62 VanDerWaalsContact O-N 3.08Å; F59-G62 PolarHBondContact O-N 3.12Å; G62-E65 PolarHBondContact O-N 3.26Å; G62-L66 WeakPolarHBondContact O-CB 3.4Å; G62-L66 PolarHBondContact O-N 3.02Å
63L88.9Confident84.7Confident36 Ų3674 Ų7419%0.18839%0.388CS..Hα-helixtrans-63.8-39.1173.2-70.3178.4000112.6F59 S61 G67 L80 S84 L87F59-L63 HydrophobicContact CD1-CD1 4.22Å; F59-L63 HydrophobicContact CE1-CD1 3.67Å; F59-L63 HydrophobicContact CE1-CG 4.21Å; F59-L63 HydrophobicContact CE2-CD2 4.44Å; F59-L63 HydrophobicContact CE2-CG 4.49Å; F59-L63 HydrophobicContact CZ-CD1 3.98Å; F59-L63 HydrophobicContact CZ-CD2 4.12Å; F59-L63 HydrophobicContact CZ-CG 4.14Å; F59-L63 PolarHBondContact O-N 3.34Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 3.1Å; L63-G67 PolarHBondContact O-N 3.27Å; L63-L80 HydrophobicContact CD2-CD2 4.36Å; L63-S84 WeakPolarHBondContact CB-OG 3.43Å; L63-L87 HydrophobicContact CD1-CD1 4.31Å
64R87.8Confident84Confident79 Ų7978 Ų7830%0.29842%0.416SS..Hα-helixtrans-69.6-42.7177.3-159.3-165.3-40-78-3.9111.7V60 S61 L66 G67 H68V60-R64 PolarHBondContact O-N 3.43Å; S61-R64 WeakPolarHBondContact O-CB 3.19Å; S61-R64 PolarHBondContact O-N 2.73Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.43Å; R64-G67 PolarHBondContact O-N 3.43Å; R64-H68 PolarHBondContact O-CD2 3.41Å; R64-H68 PolarHBondContact O-N 2.9Å
65E87.6Confident83.5Confident106 Ų10674.2 Ų74.250%0.49540%0.399SS..Hα-helixtrans-62.6-38.3175.8-70.9162.6-133.600111.9S61 G62 H68 Q69S61-E65 WeakPolarHBondContact CB-OE1 3.47Å; S61-E65 WeakPolarHBondContact O-CG 3.41Å; S61-E65 PolarHBondContact O-N 2.81Å; S61-E65 PolarHBondContact OG-OE1 2.9Å; G62-E65 PolarHBondContact O-N 3.26Å; E65-H68 PolarHBondContact O-N 2.8Å; E65-Q69 WeakPolarHBondContact O-CG 3.29Å; E65-Q69 PolarHBondContact O-N 3.44Å
66L86.7Confident82.8Confident62 Ų6272.7 Ų72.733%0.32539%0.386SS..Hα-helixtrans-62.1-43173.2-171.873.6000111.6G62 R64 H68 Q69 W70 L80G62-L66 WeakPolarHBondContact O-CB 3.4Å; G62-L66 PolarHBondContact O-N 3.02Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.43Å; L66-H68 PolarHBondContact O-N 2.65Å; L66-Q69 PolarHBondContact O-N 2.89Å; L66-Q69 VanDerWaalsContact O-N 3.13Å; L66-W70 HydrophobicContact CD1-CH2 4.25Å; L66-W70 HydrophobicContact CD1-CZ2 3.87Å; L66-W70 HydrophobicContact CD2-CH2 3.9Å; L66-W70 HydrophobicContact CD2-CZ2 4.36Å; L66-W70 HydrophobicContact CD2-CZ3 4.03Å; L66-W70 HydrophobicContact CG-CD2 4.45Å; L66-W70 HydrophobicContact CG-CE3 4.4Å; L66-W70 HydrophobicContact CG-CH2 4.16Å; L66-W70 HydrophobicContact CG-CZ2 4.19Å; L66-W70 HydrophobicContact CG-CZ3 4.25Å; L66-W70 PolarHBondContact O-N 3.47Å; L66-L80 HydrophobicContact CD2-CD1 4.28Å; L66-L80 HydrophobicContact CG-CD1 4.45Å
67G82.2Confident82.4Confident3 Ų375 Ų753%0.03140%0.395CS..Hα-helixtrans-56.4-47.3175.500000112.5L63 R64 Q69 W70L63-G67 PolarHBondContact O-N 3.27Å; R64-G67 PolarHBondContact O-N 3.43Å; G67-Q69 PolarHBondContact O-N 3.4Å; G67-W70 PolarHBondContact O-N 3.06Å
68H79.4Confident82.1Confident112 Ų11276 Ų7652%0.51940%0.401SS..Hα-helixtrans-70.2-12.2178.2-62.9-41.1000114.9R64 E65 L66 T71 E77R64-H68 PolarHBondContact O-CD2 3.41Å; R64-H68 PolarHBondContact O-N 2.9Å; E65-H68 PolarHBondContact O-N 2.8Å; L66-H68 PolarHBondContact O-N 2.65Å; H68-T71 WeakPolarHBondContact O-CG2 3.12Å; H68-E77 IonicContact CE1-OE1 2.73Å; H68-E77 IonicContact ND1-OE1 3.47Å; H68-E77 PolarHBondContact ND1-OE1 3.16Å
69Q79.3Confident81.8Confident145 Ų14573.4 Ų73.468%0.67838%0.383SS*.Hα-helixtrans-84-18.6170.2-70.5179.119.500112.5E65 L66 G67E65-Q69 WeakPolarHBondContact O-CG 3.29Å; E65-Q69 PolarHBondContact O-N 3.44Å; L66-Q69 PolarHBondContact O-N 2.89Å; L66-Q69 VanDerWaalsContact O-N 3.13Å; G67-Q69 PolarHBondContact O-N 3.4Å
70W69.9Low81.5Confident116 Ų11668.3 Ų68.344%0.43936%0.361SS..  trans-10739.4-175.5-66.2-10.4000112.6L66 G67 T72 D73 M76 L80L66-W70 HydrophobicContact CD1-CH2 4.25Å; L66-W70 HydrophobicContact CD1-CZ2 3.87Å; L66-W70 HydrophobicContact CD2-CH2 3.9Å; L66-W70 HydrophobicContact CD2-CZ2 4.36Å; L66-W70 HydrophobicContact CD2-CZ3 4.03Å; L66-W70 HydrophobicContact CG-CD2 4.45Å; L66-W70 HydrophobicContact CG-CE3 4.4Å; L66-W70 HydrophobicContact CG-CH2 4.16Å; L66-W70 HydrophobicContact CG-CZ2 4.19Å; L66-W70 HydrophobicContact CG-CZ3 4.25Å; L66-W70 PolarHBondContact O-N 3.47Å; G67-W70 PolarHBondContact O-N 3.06Å; W70-T72 PolarHBondContact O-N 2.94Å; W70-D73 PolarHBondContact O-N 3.42Å; W70-M76 HydrophobicContact CE3-CE 3.99Å; W70-M76 HydrophobicContact CZ3-CE 3.65Å; W70-L80 HydrophobicContact CE3-CD1 4.43Å
71T58.3Low81.2Confident102 Ų10270.4 Ų70.463%0.62637%0.372SS*.THydrogen-bonded Turntrans-57.2-7.9179.957.30000115.6H68 D73H68-T71 WeakPolarHBondContact O-CG2 3.12Å; T71-D73 VanDerWaalsContact C-N 3.33Å
72T60.8Low81.1Confident139 Ų13971.7 Ų71.785%0.85337%0.372SS*.THydrogen-bonded Turntrans-76.3-15.9171.947.40000114W70W70-T72 PolarHBondContact O-N 2.94Å
73D71.4Confident81.1Confident65 Ų6572.6 Ų72.635%0.34837%0.366SS..  trans-128.997.5179.5-170.3-16.1000111.7W70 T71 M75 M76 E77W70-D73 PolarHBondContact O-N 3.42Å; T71-D73 VanDerWaalsContact C-N 3.33Å; D73-M75 PolarHBondContact O-N 2.83Å; D73-M75 WeakPolarHBondContact OD1-CB 3.47Å; D73-M75 PolarHBondContact OD1-N 1.84Å; D73-M76 HydrophobicContact CB-CB 4.18Å; D73-M76 HydrophobicContact CB-CG 4.22Å; D73-M76 PolarHBondContact O-N 3.46Å; D73-M76 PolarHBondContact OD1-N 3.32Å; D73-M76 WeakPolarHBondContact OD2-CG 3.38Å; D73-E77 PolarHBondContact O-N 2.88Å
74S77.3Confident81.2Confident95 Ų9570.9 Ų70.966%0.66436%0.357SS*.Hα-helixtrans-55.7-30.7178.2-176.30000113.5E78S74-E78 WeakPolarHBondContact O-CB 3.25Å; S74-E78 PolarHBondContact O-N 3.19Å
75M80.6Confident81.3Confident40 Ų4072.6 Ų72.620%0.19737%0.367CS..Hα-helixtrans-75.2-37.7-178.7-173.4-161.467.700111.4D73 C79 F227D73-M75 PolarHBondContact O-N 2.83Å; D73-M75 WeakPolarHBondContact OD1-CB 3.47Å; D73-M75 PolarHBondContact OD1-N 1.84Å; M75-C79 WeakPolarHBondContact O-CB 3.47Å; M75-C79 PolarHBondContact O-N 3.35Å; M75-F227 HydrophobicContact CE-CD2 4.29Å; M75-F227 HydrophobicContact CE-CE2 3.4Å; M75-F227 VanDerWaalsContact CE-CE2 3.4Å; M75-F227 HydrophobicContact CE-CZ 3.74Å; M75-F227 HydrophobicContact SD-CE2 3.56Å; M75-F227 VanDerWaalsContact SD-CE2 3.56Å; M75-F227 HydrophobicContact SD-CZ 3.77Å
76M81.6Confident81.5Confident58 Ų5870.3 Ų70.329%0.28636%0.355SS..Hα-helixtrans-69.3-36.5175.8-72.7-63.8-65.900112.1W70 D73 L80W70-M76 HydrophobicContact CE3-CE 3.99Å; W70-M76 HydrophobicContact CZ3-CE 3.65Å; D73-M76 HydrophobicContact CB-CB 4.18Å; D73-M76 HydrophobicContact CB-CG 4.22Å; D73-M76 PolarHBondContact O-N 3.46Å; D73-M76 PolarHBondContact OD1-N 3.32Å; D73-M76 WeakPolarHBondContact OD2-CG 3.38Å; M76-L80 WeakPolarHBondContact O-CB 3.47Å; M76-L80 WeakPolarHBondContact O-CG 3.24Å; M76-L80 PolarHBondContact O-N 3.38Å
77E83.7Confident81.7Confident63 Ų6369.6 Ų69.629%0.29435%0.352SS..Hα-helixtrans-65.1-48.8173-174.2168.5-152.100111.6H68 D73 C79 L80 D81H68-E77 IonicContact CE1-OE1 2.73Å; H68-E77 IonicContact ND1-OE1 3.47Å; H68-E77 PolarHBondContact ND1-OE1 3.16Å; D73-E77 PolarHBondContact O-N 2.88Å; E77-C79 VanDerWaalsContact C-N 3.3Å; E77-C79 PolarHBondContact O-N 2.82Å; E77-L80 PolarHBondContact O-N 2.82Å; E77-D81 WeakPolarHBondContact O-CB 3.44Å; E77-D81 PolarHBondContact O-N 3.47Å
78E85.1Confident82.2Confident95 Ų9571.1 Ų71.144%0.44436%0.362SS..Hα-helixtrans-59.3-40.6176.7-173.3-175.8179.700112.1S74 K82S74-E78 WeakPolarHBondContact O-CB 3.25Å; S74-E78 PolarHBondContact O-N 3.19Å; E78-K82 HydrophobicContact CG-CD 4.26Å; E78-K82 WeakPolarHBondContact O-CB 3.24Å; E78-K82 WeakPolarHBondContact O-CG 3.31Å; E78-K82 PolarHBondContact O-N 3.43Å; E78-K82 VanDerWaalsContact O-N 3.08Å; E78-K82 WeakPolarHBondContact OE1-CE 3.39Å; E78-K82 IonicContact OE1-NZ 3.19Å; E78-K82 PolarHBondContact OE1-NZ 3.33Å
79C87.7Confident82.7Confident13 Ų1368.6 Ų68.69%0.08835%0.354CS..Hα-helixtrans-60.4-60.4176177.50000111.5M75 E77 D81 K82 F83 Y216M75-C79 WeakPolarHBondContact O-CB 3.47Å; M75-C79 PolarHBondContact O-N 3.35Å; E77-C79 VanDerWaalsContact C-N 3.3Å; E77-C79 PolarHBondContact O-N 2.82Å; C79-D81 VanDerWaalsContact C-N 3.28Å; C79-D81 PolarHBondContact O-N 2.73Å; C79-K82 PolarHBondContact O-N 2.74Å; C79-F83 VanDerWaalsContact O-CD2 3.27Å; C79-F83 WeakPolarHBondContact O-CD2 3.49Å; C79-F83 PolarHBondContact O-N 2.73Å; C79-F83 VanDerWaalsContact SG-CE2 3.58Å; C79-Y216 WeakPolarHBondContact CA-OH 3.33Å; C79-Y216 WeakPolarHBondContact CB-OH 3.31Å
80L87.9Confident83.3Confident22 Ų2262.8 Ų62.812%0.11533%0.328CS..Hα-helixtrans-61.7-36.1-175.8-71.6170.9000112L63 L66 W70 M76 E77 S84L63-L80 HydrophobicContact CD2-CD2 4.36Å; L66-L80 HydrophobicContact CD2-CD1 4.28Å; L66-L80 HydrophobicContact CG-CD1 4.45Å; W70-L80 HydrophobicContact CE3-CD1 4.43Å; M76-L80 WeakPolarHBondContact O-CB 3.47Å; M76-L80 WeakPolarHBondContact O-CG 3.24Å; M76-L80 PolarHBondContact O-N 3.38Å; E77-L80 PolarHBondContact O-N 2.82Å; L80-S84 WeakPolarHBondContact O-CB 3.23Å; L80-S84 PolarHBondContact O-N 2.75Å; L80-S84 PolarHBondContact O-OG 2.71Å
81D88.1Confident84.3Confident46 Ų4658.3 Ų58.325%0.24631%0.311CS..Hα-helixtrans-66.2-46.2174.917663.5000112.7E77 C79 S84 K85E77-D81 WeakPolarHBondContact O-CB 3.44Å; E77-D81 PolarHBondContact O-N 3.47Å; C79-D81 VanDerWaalsContact C-N 3.28Å; C79-D81 PolarHBondContact O-N 2.73Å; D81-S84 PolarHBondContact O-N 2.85Å; D81-K85 VanDerWaalsContact CG-NZ 3.29Å; D81-K85 WeakPolarHBondContact O-CB 3.28Å; D81-K85 WeakPolarHBondContact O-CG 3.37Å; D81-K85 PolarHBondContact O-N 2.81Å; D81-K85 WeakPolarHBondContact OD1-CE 2.66Å; D81-K85 IonicContact OD1-NZ 3.25Å; D81-K85 PolarHBondContact OD1-NZ 2.99Å; D81-K85 VanDerWaalsContact OD1-NZ 3.14Å; D81-K85 WeakPolarHBondContact OD2-CD 3.37Å; D81-K85 VanDerWaalsContact OD2-CE 3.3Å; D81-K85 WeakPolarHBondContact OD2-CE 3.31Å; D81-K85 IonicContact OD2-NZ 2.73Å; D81-K85 PolarHBondContact OD2-NZ 3.17Å
82K88.6Confident85.9Confident73 Ų7356.4 Ų56.432%0.31730%0.297SS..Hα-helixtrans-61.6-47.9177.5-77.6179.2-174.7174.90112.5E78 C79 K85 K86 Y216E78-K82 HydrophobicContact CG-CD 4.26Å; E78-K82 WeakPolarHBondContact O-CB 3.24Å; E78-K82 WeakPolarHBondContact O-CG 3.31Å; E78-K82 PolarHBondContact O-N 3.43Å; E78-K82 VanDerWaalsContact O-N 3.08Å; E78-K82 WeakPolarHBondContact OE1-CE 3.39Å; E78-K82 IonicContact OE1-NZ 3.19Å; E78-K82 PolarHBondContact OE1-NZ 3.33Å; C79-K82 PolarHBondContact O-N 2.74Å; K82-K85 PolarHBondContact O-N 3.5Å; K82-K86 PolarHBondContact O-N 3.18Å; K82-K86 VanDerWaalsContact O-N 3.11Å; K82-Y216 HydrophobicContact CB-CE1 4.45Å; K82-Y216 HydrophobicContact CD-CD1 4.32Å; K82-Y216 HydrophobicContact CD-CD2 4.31Å; K82-Y216 HydrophobicContact CD-CE1 4.12Å; K82-Y216 HydrophobicContact CD-CE2 4.13Å; K82-Y216 HydrophobicContact CD-CG 4.42Å
83F89.8Confident87.3Confident55 Ų5549.9 Ų49.924%0.24126%0.257CS..Hα-helixtrans-61.1-46175.7-80.5-77.2000111C79 K85 K86 L87 L213 Y216 L220C79-F83 VanDerWaalsContact O-CD2 3.27Å; C79-F83 WeakPolarHBondContact O-CD2 3.49Å; C79-F83 PolarHBondContact O-N 2.73Å; C79-F83 VanDerWaalsContact SG-CE2 3.58Å; F83-K85 PolarHBondContact O-N 3.41Å; F83-K86 PolarHBondContact O-N 3.49Å; F83-L87 WeakPolarHBondContact O-CB 2.88Å; F83-L87 VanDerWaalsContact O-CG 3.3Å; F83-L87 WeakPolarHBondContact O-CG 3.29Å; F83-L87 PolarHBondContact O-N 2.95Å; F83-L213 HydrophobicContact CD1-CD1 4.44Å; F83-L213 HydrophobicContact CD1-CD2 3.76Å; F83-L213 HydrophobicContact CE1-CD1 4.42Å; F83-L213 HydrophobicContact CE1-CD2 3.57Å; F83-L213 HydrophobicContact CE1-CG 4.23Å; F83-L213 HydrophobicContact CZ-CD2 4.5Å; F83-Y216 HydrophobicContact CD2-CE1 4.4Å; F83-Y216 HydrophobicContact CE2-CD1 4.28Å; F83-Y216 AromaticContact CE2-CE1 3.87Å; F83-Y216 HydrophobicContact CE2-CE1 3.87Å; F83-L220 HydrophobicContact CE2-CD2 3.73Å; F83-L220 HydrophobicContact CZ-CD2 4.16Å
84S91.5Very high88.2Confident0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-62.3-40.3179.8-63.20000112.6V60 L63 L80 D81 S88V60-S84 VanDerWaalsContact CG1-O 3.28Å; V60-S84 WeakPolarHBondContact CG1-O 3.33Å; L63-S84 WeakPolarHBondContact CB-OG 3.43Å; L80-S84 WeakPolarHBondContact O-CB 3.23Å; L80-S84 PolarHBondContact O-N 2.75Å; L80-S84 PolarHBondContact O-OG 2.71Å; D81-S84 PolarHBondContact O-N 2.85Å; S84-S88 PolarHBondContact O-N 3.09Å
85K90.7Very high88.8Confident114 Ų11444.9 Ų44.950%0.49623%0.226SC..Hα-helixtrans-63-48.8175.7-80.1168.7174.4163.40112D81 K82 F83 S88 V89D81-K85 VanDerWaalsContact CG-NZ 3.29Å; D81-K85 WeakPolarHBondContact O-CB 3.28Å; D81-K85 WeakPolarHBondContact O-CG 3.37Å; D81-K85 PolarHBondContact O-N 2.81Å; D81-K85 WeakPolarHBondContact OD1-CE 2.66Å; D81-K85 IonicContact OD1-NZ 3.25Å; D81-K85 PolarHBondContact OD1-NZ 2.99Å; D81-K85 VanDerWaalsContact OD1-NZ 3.14Å; D81-K85 WeakPolarHBondContact OD2-CD 3.37Å; D81-K85 VanDerWaalsContact OD2-CE 3.3Å; D81-K85 WeakPolarHBondContact OD2-CE 3.31Å; D81-K85 IonicContact OD2-NZ 2.73Å; D81-K85 PolarHBondContact OD2-NZ 3.17Å; K82-K85 PolarHBondContact O-N 3.5Å; F83-K85 PolarHBondContact O-N 3.41Å; K85-S88 PolarHBondContact O-N 3.43Å; K85-V89 PolarHBondContact O-N 3.27Å
86K91Very high89.3Confident58 Ų5848.7 Ų48.725%0.25224%0.243SC..Hα-helixtrans-67.1-39.7179.1-68.2-60.1-170.7-178.70112.6K82 F83 S88 V89 I90 E212 L213K82-K86 PolarHBondContact O-N 3.18Å; K82-K86 VanDerWaalsContact O-N 3.11Å; F83-K86 PolarHBondContact O-N 3.49Å; K86-S88 PolarHBondContact O-N 2.88Å; K86-V89 PolarHBondContact O-N 3.18Å; K86-I90 WeakPolarHBondContact O-CG1 3.16Å; K86-I90 PolarHBondContact O-N 2.93Å; K86-E212 IonicContact NZ-OE2 3.69Å; K86-E212 PolarHBondContact NZ-OE2 3.37Å; K86-L213 HydrophobicContact CG-CD1 4.15Å
87L90.6Very high89.7Confident48 Ų4846.3 Ų46.325%0.25123%0.232SC..Hα-helixtrans-64.1-37.4174.6-72.4173.1000112.4V60 L63 F83 I90 F91V60-L87 HydrophobicContact CG2-CB 3.75Å; V60-L87 HydrophobicContact CG2-CD1 4.41Å; L63-L87 HydrophobicContact CD1-CD1 4.31Å; F83-L87 WeakPolarHBondContact O-CB 2.88Å; F83-L87 VanDerWaalsContact O-CG 3.3Å; F83-L87 WeakPolarHBondContact O-CG 3.29Å; F83-L87 PolarHBondContact O-N 2.95Å; L87-I90 PolarHBondContact O-N 3.18Å; L87-F91 HydrophobicContact CB-CD2 4.43Å; L87-F91 HydrophobicContact CB-CE2 4.02Å; L87-F91 HydrophobicContact CD2-CE2 4.42Å; L87-F91 WeakPolarHBondContact O-CD2 3.22Å; L87-F91 WeakPolarHBondContact O-CG 3.45Å; L87-F91 PolarHBondContact O-N 3.44Å
88S92.6Very high90.1Very high35 Ų3543.9 Ų43.925%0.24522%0.221CC..Hα-helixtrans-56.8-51.9174-1630000111.2S84 K85 K86 I90 F91 D92S84-S88 PolarHBondContact O-N 3.09Å; K85-S88 PolarHBondContact O-N 3.43Å; K86-S88 PolarHBondContact O-N 2.88Å; S88-I90 PolarHBondContact O-N 2.85Å; S88-F91 CarbonylContact O-C 3.39Å; S88-F91 PolarHBondContact O-N 2.85Å; S88-D92 VanDerWaalsContact C-OD2 3.31Å; S88-D92 WeakPolarHBondContact O-CB 3.47Å; S88-D92 VanDerWaalsContact O-CG 3.29Å; S88-D92 PolarHBondContact O-N 3Å; S88-D92 PolarHBondContact OG-OD2 2.99Å
89V91.3Very high90.3Very high59 Ų5944.5 Ų44.536%0.35822%0.224SC..Hα-helixtrans-54.6-40.4180175.90000111.9K85 K86 A93K85-V89 PolarHBondContact O-N 3.27Å; K86-V89 PolarHBondContact O-N 3.18Å; V89-A93 WeakPolarHBondContact O-CB 3.43Å; V89-A93 PolarHBondContact O-N 2.99Å
90I90.8Very high90.3Very high23 Ų2346.4 Ų46.412%0.11824%0.235CC..Hα-helixtrans-66.8-42.8177.2-62.8171.1000111.3K86 L87 S88 Q94 F202 L210K86-I90 WeakPolarHBondContact O-CG1 3.16Å; K86-I90 PolarHBondContact O-N 2.93Å; L87-I90 PolarHBondContact O-N 3.18Å; S88-I90 PolarHBondContact O-N 2.85Å; I90-Q94 PolarHBondContact O-N 2.76Å; I90-F202 HydrophobicContact CG2-CE2 4.18Å; I90-F202 HydrophobicContact CG2-CZ 4.47Å; I90-L210 HydrophobicContact CD1-CD2 4.01Å; I90-L210 HydrophobicContact CD1-CG 4.01Å
91F91.4Very high90.3Very high21 Ų2145.7 Ų45.79%0.09223%0.231CC..Hα-helixtrans-75.6-26.1179.1-61.9-46.9000113.7Y52 C53 K57 V60 L87 S88 G95Y52-F91 HydrophobicContact CE1-CE1 4.32Å; C53-F91 PolarHBondContact SG-O 2.99Å; K57-F91 HydrophobicContact CG-CB 4.2Å; V60-F91 HydrophobicContact CG2-CD2 3.89Å; V60-F91 HydrophobicContact CG2-CE2 3.7Å; L87-F91 HydrophobicContact CB-CD2 4.43Å; L87-F91 HydrophobicContact CB-CE2 4.02Å; L87-F91 HydrophobicContact CD2-CE2 4.42Å; L87-F91 WeakPolarHBondContact O-CD2 3.22Å; L87-F91 WeakPolarHBondContact O-CG 3.45Å; L87-F91 PolarHBondContact O-N 3.44Å; S88-F91 CarbonylContact O-C 3.39Å; S88-F91 PolarHBondContact O-N 2.85Å; F91-G95 PolarHBondContact O-N 3.2Å
92D90.9Very high90.3Very high62 Ų6246.5 Ų46.533%0.33223%0.234SC..Hα-helixtrans-68.4-49.1170.7-69.3-47.2000110.2K57 S88 Q94 G95 E96K57-D92 WeakPolarHBondContact CE-OD1 3.39Å; K57-D92 IonicContact NZ-OD1 3.4Å; K57-D92 PolarHBondContact NZ-OD1 3.08Å; S88-D92 VanDerWaalsContact C-OD2 3.31Å; S88-D92 WeakPolarHBondContact O-CB 3.47Å; S88-D92 VanDerWaalsContact O-CG 3.29Å; S88-D92 PolarHBondContact O-N 3Å; S88-D92 PolarHBondContact OG-OD2 2.99Å; D92-Q94 VanDerWaalsContact C-N 3.33Å; D92-Q94 PolarHBondContact O-N 3.19Å; D92-G95 WeakPolarHBondContact O-CA 3.38Å; D92-G95 PolarHBondContact O-N 3.49Å; D92-E96 PolarHBondContact O-N 2.26Å; D92-E96 VanDerWaalsContact O-N 3.08Å
93A90.5Very high90.2Very high2 Ų249 Ų492%0.01724%0.244CC..Hα-helixtrans-57-42.1173.100000112.9V89 G95 E96 V97 F202 Q205V89-A93 WeakPolarHBondContact O-CB 3.43Å; V89-A93 PolarHBondContact O-N 2.99Å; A93-G95 PolarHBondContact O-N 3.47Å; A93-E96 PolarHBondContact O-N 2.83Å; A93-V97 WeakPolarHBondContact O-CG2 3.49Å; A93-V97 PolarHBondContact O-N 3.23Å; A93-V97 VanDerWaalsContact O-N 3.07Å; A93-F202 HydrophobicContact CB-CD2 4Å; A93-Q205 HydrophobicContact CB-CG 4.43Å; A93-Q205 VanDerWaalsContact CB-OE1 3.22Å
94Q89.8Confident89.9Confident38 Ų3846.8 Ų46.818%0.17824%0.236CC..Hα-helixtrans-60.9-33.4173.9-176.366.9-5.300112.2I90 D92 I98 F202I90-Q94 PolarHBondContact O-N 2.76Å; D92-Q94 VanDerWaalsContact C-N 3.33Å; D92-Q94 PolarHBondContact O-N 3.19Å; Q94-I98 HydrophobicContact CG-CD1 4.29Å; Q94-I98 WeakPolarHBondContact O-CD1 3.43Å; Q94-I98 VanDerWaalsContact O-CG1 3.26Å; Q94-I98 WeakPolarHBondContact O-CG1 3.22Å; Q94-I98 PolarHBondContact O-N 3.24Å; Q94-F202 HydrophobicContact CB-CD2 4.33Å; Q94-F202 HydrophobicContact CB-CE2 3.81Å; Q94-F202 HydrophobicContact CB-CZ 4.42Å; Q94-F202 VanDerWaalsContact OE1-CZ 3.31Å
95G91Very high89.4Confident18 Ų1847.1 Ų47.119%0.18624%0.238CC..Hα-helixtrans-65.8-44.5173.300000112.7F91 D92 A93 V97 I98 E99F91-G95 PolarHBondContact O-N 3.2Å; D92-G95 WeakPolarHBondContact O-CA 3.38Å; D92-G95 PolarHBondContact O-N 3.49Å; A93-G95 PolarHBondContact O-N 3.47Å; G95-V97 VanDerWaalsContact C-N 3.33Å; G95-V97 PolarHBondContact O-N 3.01Å; G95-I98 WeakPolarHBondContact O-CB 3.18Å; G95-I98 PolarHBondContact O-N 3.22Å; G95-I98 VanDerWaalsContact O-N 3.16Å; G95-E99 PolarHBondContact O-N 2.8Å
96E89.9Confident89Confident119 Ų11944.9 Ų44.956%0.55623%0.227SC*.Hα-helixtrans-61.5-38.9176.8-65.8178.3-171.800112.3D92 A93 E99 T100D92-E96 PolarHBondContact O-N 2.26Å; D92-E96 VanDerWaalsContact O-N 3.08Å; A93-E96 PolarHBondContact O-N 2.83Å; E96-E99 PolarHBondContact O-N 2.77Å; E96-T100 WeakPolarHBondContact O-CB 3.4Å; E96-T100 PolarHBondContact O-N 3.47Å; E96-T100 PolarHBondContact O-OG1 3.3Å
97V90.9Very high88.7Confident8 Ų845.4 Ų45.45%0.04824%0.235CC..Hα-helixtrans-61.1-46.6172.21740000111.5A93 G95 E99 T100 I101 S198 F202A93-V97 WeakPolarHBondContact O-CG2 3.49Å; A93-V97 PolarHBondContact O-N 3.23Å; A93-V97 VanDerWaalsContact O-N 3.07Å; G95-V97 VanDerWaalsContact C-N 3.33Å; G95-V97 PolarHBondContact O-N 3.01Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 3.31Å; V97-T100 PolarHBondContact O-N 3.14Å; V97-I101 HydrophobicContact CG1-CD1 3.54Å; V97-I101 HydrophobicContact CG1-CG1 4.18Å; V97-I101 WeakPolarHBondContact O-CB 3.48Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.13Å; V97-S198 WeakPolarHBondContact CG2-O 3.37Å; V97-F202 HydrophobicContact CG2-CB 3.46Å; V97-F202 VanDerWaalsContact CG2-CB 3.46Å; V97-F202 HydrophobicContact CG2-CD2 4.5Å; V97-F202 HydrophobicContact CG2-CG 4.12Å
98I91.3Very high88.2Confident12 Ų1246.7 Ų46.76%0.06224%0.239CC..Hα-helixtrans-60.9-44179.3-70.2161.1000110.5L46 G49 R50 C53 Q94 G95 Q102L46-I98 HydrophobicContact CD2-CB 4.44Å; L46-I98 HydrophobicContact CD2-CG2 3.81Å; L46-I98 VanDerWaalsContact CD2-O 3.25Å; L46-I98 WeakPolarHBondContact CD2-O 3.46Å; G49-I98 WeakPolarHBondContact O-CD1 3.13Å; R50-I98 HydrophobicContact CG-CG2 3.77Å; C53-I98 HydrophobicContact CB-CD1 4.42Å; Q94-I98 HydrophobicContact CG-CD1 4.29Å; Q94-I98 WeakPolarHBondContact O-CD1 3.43Å; Q94-I98 VanDerWaalsContact O-CG1 3.26Å; Q94-I98 WeakPolarHBondContact O-CG1 3.22Å; Q94-I98 PolarHBondContact O-N 3.24Å; G95-I98 WeakPolarHBondContact O-CB 3.18Å; G95-I98 PolarHBondContact O-N 3.22Å; G95-I98 VanDerWaalsContact O-N 3.16Å; I98-Q102 WeakPolarHBondContact O-CB 3.5Å; I98-Q102 PolarHBondContact O-N 3.09Å
99E89.9Confident87.6Confident109 Ų10945.6 Ų45.651%0.50923%0.23SC..Hα-helixtrans-62-42.4173.7-78.7-154-162.800112.8G95 E96 V97 Q102 K103G95-E99 PolarHBondContact O-N 2.8Å; E96-E99 PolarHBondContact O-N 2.77Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 3.31Å; E99-Q102 WeakPolarHBondContact O-CB 2.82Å; E99-Q102 PolarHBondContact O-N 3.16Å; E99-K103 VanDerWaalsContact O-CG 3.29Å; E99-K103 WeakPolarHBondContact O-CG 3.16Å; E99-K103 PolarHBondContact O-N 3.49Å; E99-K103 IonicContact OE2-NZ 3.82Å; E99-K103 PolarHBondContact OE2-NZ 2.73Å
100T88.3Confident87.3Confident53 Ų5345.3 Ų45.333%0.32523%0.225SC..Hα-helixtrans-67.6-44.8-177.9-56.90000110.8E96 V97 Q102 K103 S104 S198E96-T100 WeakPolarHBondContact O-CB 3.4Å; E96-T100 PolarHBondContact O-N 3.47Å; E96-T100 PolarHBondContact O-OG1 3.3Å; V97-T100 PolarHBondContact O-N 3.14Å; T100-Q102 VanDerWaalsContact C-N 3.31Å; T100-Q102 PolarHBondContact O-N 3.43Å; T100-K103 PolarHBondContact O-N 3.33Å; T100-K103 VanDerWaalsContact O-N 3.13Å; T100-S104 WeakPolarHBondContact O-CB 3.32Å; T100-S104 PolarHBondContact O-N 3.41Å; T100-S104 PolarHBondContact O-OG 3.17Å; T100-S198 WeakPolarHBondContact CG2-OG 3.27Å
101I87.1Confident87Confident6 Ų646.9 Ų46.93%0.03124%0.235CC..Hα-helixtrans-61.6-38.9173.9-64.9170.9000111.2M45 L46 V97 V105 R106 L195M45-I101 HydrophobicContact CE-CG2 3.99Å; L46-I101 HydrophobicContact CD2-CB 4.03Å; L46-I101 HydrophobicContact CD2-CG2 3.9Å; L46-I101 HydrophobicContact CG-CG2 4.49Å; V97-I101 HydrophobicContact CG1-CD1 3.54Å; V97-I101 HydrophobicContact CG1-CG1 4.18Å; V97-I101 WeakPolarHBondContact O-CB 3.48Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.13Å; I101-V105 HydrophobicContact CG2-CB 4.17Å; I101-V105 HydrophobicContact CG2-CG2 4.14Å; I101-V105 WeakPolarHBondContact O-CA 3.34Å; I101-V105 WeakPolarHBondContact O-CB 3.42Å; I101-V105 PolarHBondContact O-N 2.84Å; I101-R106 PolarHBondContact O-N 2.97Å; I101-R106 VanDerWaalsContact O-N 3.14Å; I101-L195 HydrophobicContact CD1-CD1 3.4Å; I101-L195 VanDerWaalsContact CD1-CD1 3.4Å; I101-L195 HydrophobicContact CG1-CD1 3.59Å; I101-L195 HydrophobicContact CG2-CD1 4.38Å
102Q89.1Confident86.5Confident63 Ų6346.4 Ų46.429%0.29423%0.233SC..Iπ-helixtrans-61.5-43.7174.2-178.6176-47.700111.6L46 I98 E99 T100 R106 T107L46-Q102 HydrophobicContact CD1-CB 3.93Å; L46-Q102 HydrophobicContact CD1-CG 4.34Å; L46-Q102 HydrophobicContact CD2-CB 4.28Å; I98-Q102 WeakPolarHBondContact O-CB 3.5Å; I98-Q102 PolarHBondContact O-N 3.09Å; E99-Q102 WeakPolarHBondContact O-CB 2.82Å; E99-Q102 PolarHBondContact O-N 3.16Å; T100-Q102 VanDerWaalsContact C-N 3.31Å; T100-Q102 PolarHBondContact O-N 3.43Å; Q102-R106 WeakPolarHBondContact O-CB 3.25Å; Q102-T107 PolarHBondContact O-N 2.97Å; Q102-T107 PolarHBondContact O-OG1 3.39Å; Q102-T107 VanDerWaalsContact O-OG1 3.05Å
103K85.9Confident86Confident125 Ų12544.9 Ų44.954%0.54323%0.226SC..Iπ-helixtrans-73.7-42.1-180-68.8163.8-170164.50112.5E99 T100 T107E99-K103 VanDerWaalsContact O-CG 3.29Å; E99-K103 WeakPolarHBondContact O-CG 3.16Å; E99-K103 PolarHBondContact O-N 3.49Å; E99-K103 IonicContact OE2-NZ 3.82Å; E99-K103 PolarHBondContact OE2-NZ 2.73Å; T100-K103 PolarHBondContact O-N 3.33Å; T100-K103 VanDerWaalsContact O-N 3.13Å; K103-T107 WeakPolarHBondContact O-CB 3.3Å
104S83.1Confident85.7Confident10 Ų1051 Ų517%0.0725%0.252CS..Iπ-helixtrans-91.6-38-171.372.20000114.3T100 K108 S194T100-S104 WeakPolarHBondContact O-CB 3.32Å; T100-S104 PolarHBondContact O-N 3.41Å; T100-S104 PolarHBondContact O-OG 3.17Å; S104-K108 WeakPolarHBondContact O-CB 2.75Å; S104-K108 VanDerWaalsContact O-CD 3.23Å; S104-K108 WeakPolarHBondContact O-CD 3.27Å; S104-K108 VanDerWaalsContact O-CG 3.22Å; S104-K108 WeakPolarHBondContact O-CG 3.39Å; S104-S194 WeakPolarHBondContact CB-OG 3.21Å; S104-S194 PolarHBondContact OG-OG 3Å
105V80.9Confident85.3Confident7 Ų753.5 Ų53.54%0.04226%0.264CS..Iπ-helixtrans-96.1-59.9-178.7-176.10000110.4I101 L109 A191 L195I101-V105 HydrophobicContact CG2-CB 4.17Å; I101-V105 HydrophobicContact CG2-CG2 4.14Å; I101-V105 WeakPolarHBondContact O-CA 3.34Å; I101-V105 WeakPolarHBondContact O-CB 3.42Å; I101-V105 PolarHBondContact O-N 2.84Å; V105-L109 HydrophobicContact CG1-CD1 3.73Å; V105-L109 WeakPolarHBondContact O-CB 3.38Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.4Å; V105-L109 PolarHBondContact O-N 3.42Å; V105-A191 HydrophobicContact CG2-CB 4.41Å; V105-L195 HydrophobicContact CG2-CB 4.03Å
106R83.2Confident84.7Confident66 Ų6653.8 Ų53.825%0.24926%0.261CS..Iπ-helixtrans-62.4-52.3-174.9177.2-174.1159.7-172.2-10.3111.3Q43 L46 I101 Q102 Q110Q43-R106 VanDerWaalsContact CD-NH1 3.31Å; L46-R106 HydrophobicContact CD1-CB 4.12Å; I101-R106 PolarHBondContact O-N 2.97Å; I101-R106 VanDerWaalsContact O-N 3.14Å; Q102-R106 WeakPolarHBondContact O-CB 3.25Å; R106-Q110 WeakPolarHBondContact O-CB 3.44Å; R106-Q110 PolarHBondContact O-N 3.09Å
107T83.8Confident84.2Confident70 Ų7048.3 Ų48.343%0.42924%0.236SC..Hα-helixtrans-62.8-46.8-176.2-53.50000111.7Q102 K103 Q110 T111Q102-T107 PolarHBondContact O-N 2.97Å; Q102-T107 PolarHBondContact O-OG1 3.39Å; Q102-T107 VanDerWaalsContact O-OG1 3.05Å; K103-T107 WeakPolarHBondContact O-CB 3.3Å; T107-Q110 PolarHBondContact O-N 2.96Å; T107-T111 PolarHBondContact O-N 3.25Å; T107-T111 PolarHBondContact O-OG1 3.32Å
108K80.9Confident83.8Confident75 Ų7555.9 Ų55.933%0.32626%0.264SS..Hα-helixtrans-62.5-48-180-63.9-171.4-170.7174.70112.6S104 Q110 T111 F112 L190S104-K108 WeakPolarHBondContact O-CB 2.75Å; S104-K108 VanDerWaalsContact O-CD 3.23Å; S104-K108 WeakPolarHBondContact O-CD 3.27Å; S104-K108 VanDerWaalsContact O-CG 3.22Å; S104-K108 WeakPolarHBondContact O-CG 3.39Å; K108-Q110 VanDerWaalsContact C-N 3.31Å; K108-Q110 PolarHBondContact O-N 3.43Å; K108-T111 PolarHBondContact O-N 2.83Å; K108-F112 WeakPolarHBondContact O-CB 3.42Å; K108-F112 PolarHBondContact O-N 3.45Å; K108-L190 VanDerWaalsContact NZ-CD2 3.3Å
109L80.8Confident83.4Confident11 Ų1160 Ų606%0.05828%0.281CS..Hα-helixtrans-64.8-35.7176.4-67.3176.5000112L38 V39 V105 F112 V113 I188L38-L109 HydrophobicContact CD2-CD1 3.86Å; L38-L109 HydrophobicContact CG-CD1 4.19Å; V39-L109 HydrophobicContact CG2-CB 3.5Å; V39-L109 HydrophobicContact CG2-CD1 4.43Å; V105-L109 HydrophobicContact CG1-CD1 3.73Å; V105-L109 WeakPolarHBondContact O-CB 3.38Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.4Å; V105-L109 PolarHBondContact O-N 3.42Å; L109-F112 PolarHBondContact O-N 3.04Å; L109-V113 WeakPolarHBondContact O-CG2 3.46Å; L109-V113 PolarHBondContact O-N 3.43Å; L109-I188 HydrophobicContact CD2-CG1 4.46Å
110Q84.6Confident83Confident54 Ų5455 Ų5525%0.25226%0.258SS..Hα-helixtrans-69.6-37177.1-176161.827.300112.2R106 T107 K108 K114R106-Q110 WeakPolarHBondContact O-CB 3.44Å; R106-Q110 PolarHBondContact O-N 3.09Å; T107-Q110 PolarHBondContact O-N 2.96Å; K108-Q110 VanDerWaalsContact C-N 3.31Å; K108-Q110 PolarHBondContact O-N 3.43Å; Q110-K114 HydrophobicContact CG-CD 4.09Å; Q110-K114 HydrophobicContact CG-CG 4.5Å; Q110-K114 VanDerWaalsContact O-CB 3.27Å; Q110-K114 WeakPolarHBondContact O-CB 3.3Å; Q110-K114 WeakPolarHBondContact O-CG 3.37Å; Q110-K114 PolarHBondContact O-N 3.48Å
111T84.8Confident82.6Confident56 Ų5657 Ų5734%0.34426%0.262SS..Hα-helixtrans-65.6-47.6171.8-63.40000110.9T107 K108 V113 K114 E115T107-T111 PolarHBondContact O-N 3.25Å; T107-T111 PolarHBondContact O-OG1 3.32Å; K108-T111 PolarHBondContact O-N 2.83Å; T111-V113 VanDerWaalsContact C-N 3.33Å; T111-V113 PolarHBondContact O-N 2.8Å; T111-K114 PolarHBondContact O-N 3.17Å; T111-K114 VanDerWaalsContact O-N 3.16Å; T111-E115 HydrophobicContact CG2-CB 4.44Å; T111-E115 HydrophobicContact CG2-CG 4.24Å; T111-E115 WeakPolarHBondContact O-CB 3.34Å; T111-E115 PolarHBondContact O-N 3.38Å
112F80.9Confident82.6Confident11 Ų1160.1 Ų60.15%0.04828%0.279CS..Iπ-helixtrans-54.3-46.1176.6178.3-100.5000112.4P35 K108 L109 D116 V117 F180 K184P35-F112 HydrophobicContact CG-CE1 4.46Å; K108-F112 WeakPolarHBondContact O-CB 3.42Å; K108-F112 PolarHBondContact O-N 3.45Å; L109-F112 PolarHBondContact O-N 3.04Å; F112-D116 HydrophobicContact CD2-CB 4.21Å; F112-D116 PolarHBondContact O-N 2.99Å; F112-V117 HydrophobicContact CD1-CG2 4.39Å; F112-V117 HydrophobicContact CE1-CG2 4.14Å; F112-V117 PolarHBondContact O-N 3.35Å; F112-F180 HydrophobicContact CE1-CE2 4.2Å; F112-F180 HydrophobicContact CE1-CZ 4.21Å; F112-F180 HydrophobicContact CE2-CD2 4.15Å; F112-F180 AromaticContact CE2-CE2 3.65Å; F112-F180 HydrophobicContact CE2-CE2 3.65Å; F112-F180 HydrophobicContact CE2-CZ 4.21Å; F112-F180 HydrophobicContact CZ-CD2 4.25Å; F112-F180 HydrophobicContact CZ-CE1 4.44Å; F112-F180 AromaticContact CZ-CE2 3.36Å; F112-F180 HydrophobicContact CZ-CE2 3.36Å; F112-F180 AromaticContact CZ-CZ 3.49Å; F112-F180 HydrophobicContact CZ-CZ 3.49Å; F112-F180 VanDerWaalsContact CZ-CZ 3.49Å; F112-K184 HydrophobicContact CE2-CB 4Å; F112-K184 HydrophobicContact CZ-CB 3.9Å
113V80.4Confident82.5Confident29 Ų2958.8 Ų58.818%0.17628%0.275CS..Iπ-helixtrans-69.8-39.5177.2173.50000112.6P35 L109 T111P35-V113 HydrophobicContact CB-CG2 3.68Å; L109-V113 WeakPolarHBondContact O-CG2 3.46Å; L109-V113 PolarHBondContact O-N 3.43Å; T111-V113 VanDerWaalsContact C-N 3.33Å; T111-V113 PolarHBondContact O-N 2.8Å
114K82.7Confident82.4Confident130 Ų13055.6 Ų55.657%0.56526%0.259SS*.Iπ-helixtrans-80.8-31.1-176.1-79.3-175.9169.1-178.80114.5Q110 T111 R118Q110-K114 HydrophobicContact CG-CD 4.09Å; Q110-K114 HydrophobicContact CG-CG 4.5Å; Q110-K114 VanDerWaalsContact O-CB 3.27Å; Q110-K114 WeakPolarHBondContact O-CB 3.3Å; Q110-K114 WeakPolarHBondContact O-CG 3.37Å; Q110-K114 PolarHBondContact O-N 3.48Å; T111-K114 PolarHBondContact O-N 3.17Å; T111-K114 VanDerWaalsContact O-N 3.16Å; K114-R118 WeakPolarHBondContact O-CB 3.35Å
115E82.6Confident82.7Confident92 Ų9260.5 Ų60.543%0.4328%0.279SS..Iπ-helixtrans-107.9-62.6-173.3-67.1-164.4-149.900112.3T111 R118 K119T111-E115 HydrophobicContact CG2-CB 4.44Å; T111-E115 HydrophobicContact CG2-CG 4.24Å; T111-E115 WeakPolarHBondContact O-CB 3.34Å; T111-E115 PolarHBondContact O-N 3.38Å; E115-R118 PolarHBondContact O-N 3.02Å; E115-K119 WeakPolarHBondContact O-CB 3.2Å; E115-K119 WeakPolarHBondContact O-CD 3.42Å; E115-K119 WeakPolarHBondContact O-CG 3.43Å; E115-K119 PolarHBondContact O-N 3.16Å; E115-K119 IonicContact OE2-NZ 2.67Å; E115-K119 PolarHBondContact OE2-NZ 2.94Å
116D78.6Confident83Confident24 Ų2464.7 Ų64.713%0.12830%0.298CS..Iπ-helixtrans-69.5-46.7-172.8-60.6-70.3000111.4F112 R118 K119 F120 F180 K183F112-D116 HydrophobicContact CD2-CB 4.21Å; F112-D116 PolarHBondContact O-N 2.99Å; D116-R118 VanDerWaalsContact C-N 3.28Å; D116-R118 PolarHBondContact O-N 3.05Å; D116-K119 PolarHBondContact O-N 3.42Å; D116-F120 WeakPolarHBondContact O-CB 3.28Å; D116-F120 PolarHBondContact O-N 2.88Å; D116-F180 HydrophobicContact CB-CD2 4.42Å; D116-K183 IonicContact OD1-NZ 3.19Å; D116-K183 PolarHBondContact OD1-NZ 3.12Å
117V78.8Confident83.3Confident4 Ų461.8 Ų61.82%0.02429%0.287CS..Hα-helixtrans-64.3-33.6175.7178.50000111.8E32 F112 K121 F180E32-V117 HydrophobicContact CB-CG1 4.26Å; E32-V117 HydrophobicContact CG-CG1 3.97Å; F112-V117 HydrophobicContact CD1-CG2 4.39Å; F112-V117 HydrophobicContact CE1-CG2 4.14Å; F112-V117 PolarHBondContact O-N 3.35Å; V117-K121 WeakPolarHBondContact O-CB 3.47Å; V117-K121 PolarHBondContact O-N 2.88Å; V117-K121 VanDerWaalsContact O-N 3.1Å; V117-F180 HydrophobicContact CG2-CE2 3.85Å; V117-F180 HydrophobicContact CG2-CZ 4.15Å
118R82.6Confident83.6Confident167 Ų16761.5 Ų61.563%0.6328%0.281SS*.Hα-helixtrans-70-49.1176.5-176.7178.9174.4173.70.6112K114 E115 D116 F120 K121 D122K114-R118 WeakPolarHBondContact O-CB 3.35Å; E115-R118 PolarHBondContact O-N 3.02Å; D116-R118 VanDerWaalsContact C-N 3.28Å; D116-R118 PolarHBondContact O-N 3.05Å; R118-F120 VanDerWaalsContact C-N 3.27Å; R118-F120 PolarHBondContact O-N 2.92Å; R118-K121 WeakPolarHBondContact O-CB 3.28Å; R118-K121 PolarHBondContact O-N 3.31Å; R118-K121 VanDerWaalsContact O-N 3.07Å; R118-D122 IonicContact NE-OD2 2.74Å; R118-D122 PolarHBondContact O-N 3.41Å
119K82.8Confident84.1Confident98 Ų9864.2 Ų64.243%0.42629%0.29SS..Hα-helixtrans-55.3-45.9175.8-72.5162.8-168.91640110.1E115 D116 K121 D122 V123E115-K119 WeakPolarHBondContact O-CB 3.2Å; E115-K119 WeakPolarHBondContact O-CD 3.42Å; E115-K119 WeakPolarHBondContact O-CG 3.43Å; E115-K119 PolarHBondContact O-N 3.16Å; E115-K119 IonicContact OE2-NZ 2.67Å; E115-K119 PolarHBondContact OE2-NZ 2.94Å; D116-K119 PolarHBondContact O-N 3.42Å; K119-K121 VanDerWaalsContact C-N 3.34Å; K119-K121 PolarHBondContact O-N 3.23Å; K119-D122 PolarHBondContact O-N 3.41Å; K119-V123 WeakPolarHBondContact O-CG2 3.42Å; K119-V123 PolarHBondContact O-N 3.13Å
120F80.6Confident84.6Confident5 Ų564.6 Ų64.62%0.02229%0.291CS..Hα-helixtrans-55.6-45.1174.4-174.9-87.9000113.2V28 D116 R118 D122 R124 Y173 I177V28-F120 HydrophobicContact CB-CE1 4.1Å; V28-F120 HydrophobicContact CB-CZ 4.47Å; V28-F120 HydrophobicContact CG1-CD1 3.84Å; V28-F120 HydrophobicContact CG1-CE1 3.64Å; V28-F120 HydrophobicContact CG1-CZ 4.38Å; V28-F120 HydrophobicContact CG2-CE1 3.94Å; V28-F120 HydrophobicContact CG2-CE2 4.49Å; V28-F120 HydrophobicContact CG2-CZ 3.84Å; D116-F120 WeakPolarHBondContact O-CB 3.28Å; D116-F120 PolarHBondContact O-N 2.88Å; R118-F120 VanDerWaalsContact C-N 3.27Å; R118-F120 PolarHBondContact O-N 2.92Å; F120-D122 PolarHBondContact O-N 3.11Å; F120-R124 VanDerWaalsContact O-CB 3.3Å; F120-R124 WeakPolarHBondContact O-CB 3.32Å; F120-R124 PolarHBondContact O-N 3.2Å; F120-Y173 HydrophobicContact CE1-CE2 4.13Å; F120-Y173 AromaticContact CE2-CE2 3.94Å; F120-Y173 HydrophobicContact CE2-CE2 3.94Å; F120-Y173 AromaticContact CZ-CE2 3.62Å; F120-Y173 HydrophobicContact CZ-CE2 3.62Å; F120-I177 HydrophobicContact CE2-CB 4.4Å; F120-I177 HydrophobicContact CE2-CG1 3.52Å; F120-I177 HydrophobicContact CZ-CG1 3.95Å
121K81.5Confident84.8Confident94 Ų9462.4 Ų62.441%0.40928%0.282SS..Hα-helixtrans-65.9-36.3180-171.3172.7-164.91530113V117 R118 K119 K125V117-K121 WeakPolarHBondContact O-CB 3.47Å; V117-K121 PolarHBondContact O-N 2.88Å; V117-K121 VanDerWaalsContact O-N 3.1Å; R118-K121 WeakPolarHBondContact O-CB 3.28Å; R118-K121 PolarHBondContact O-N 3.31Å; R118-K121 VanDerWaalsContact O-N 3.07Å; K119-K121 VanDerWaalsContact C-N 3.34Å; K119-K121 PolarHBondContact O-N 3.23Å; K121-K125 WeakPolarHBondContact O-CG 3.39Å; K121-K125 PolarHBondContact O-N 3.11Å
122D86.6Confident85.2Confident72 Ų7266.3 Ų66.339%0.38530%0.296SS..Hα-helixtrans-73.6-41.7179.4-66.9-28.9000110.7R118 K119 F120 K125 E126R118-D122 IonicContact NE-OD2 2.74Å; R118-D122 PolarHBondContact O-N 3.41Å; K119-D122 PolarHBondContact O-N 3.41Å; F120-D122 PolarHBondContact O-N 3.11Å; D122-K125 PolarHBondContact O-N 3.25Å; D122-K125 IonicContact OD1-NZ 2.89Å; D122-E126 PolarHBondContact O-N 3.11Å; D122-E126 VanDerWaalsContact O-N 3.15Å
123V85.9Confident85.8Confident35 Ų3569 Ų6921%0.21231%0.314CS..Hα-helixtrans-65.5-38.9172.6178.30000112.1K119 K125 E126 F127 Y173 E176K119-V123 WeakPolarHBondContact O-CG2 3.42Å; K119-V123 PolarHBondContact O-N 3.13Å; V123-K125 PolarHBondContact O-N 3.15Å; V123-E126 PolarHBondContact O-N 3.33Å; V123-F127 PolarHBondContact O-N 2.86Å; V123-Y173 HydrophobicContact CG1-CD2 4.1Å; V123-E176 HydrophobicContact CG2-CG 4.37Å
124R85.5Confident86.3Confident58 Ų5868.3 Ų68.322%0.21931%0.309CS..Hα-helixtrans-57.1-48.7174176.8-177.1166.31618.4111.9F120 E126 F127 E128 Y173F120-R124 VanDerWaalsContact O-CB 3.3Å; F120-R124 WeakPolarHBondContact O-CB 3.32Å; F120-R124 PolarHBondContact O-N 3.2Å; R124-E126 VanDerWaalsContact C-N 3.27Å; R124-E126 PolarHBondContact O-N 2.96Å; R124-F127 WeakPolarHBondContact O-CB 3.29Å; R124-F127 PolarHBondContact O-N 3.36Å; R124-E128 IonicContact CZ-OE1 2.7Å; R124-E128 VanDerWaalsContact CZ-OE1 3.23Å; R124-E128 IonicContact NE-OE1 3.2Å; R124-E128 PolarHBondContact NE-OE1 2.77Å; R124-E128 IonicContact NE-OE2 3.44Å; R124-E128 IonicContact NH2-OE1 2.76Å; R124-E128 PolarHBondContact NH2-OE1 3.32Å; R124-E128 WeakPolarHBondContact O-CG 3.34Å; R124-E128 PolarHBondContact O-N 3.12Å; R124-Y173 HydrophobicContact CB-CD2 4.46Å; R124-Y173 HydrophobicContact CB-CE2 3.74Å; R124-Y173 HydrophobicContact CG-CE2 4.2Å
125K87.8Confident86.7Confident113 Ų11367.6 Ų67.649%0.49131%0.308SS..Hα-helixtrans-61.7-37.6178.1-73.9168.9178.91720112K121 D122 V123 E128 R129K121-K125 WeakPolarHBondContact O-CG 3.39Å; K121-K125 PolarHBondContact O-N 3.11Å; D122-K125 PolarHBondContact O-N 3.25Å; D122-K125 IonicContact OD1-NZ 2.89Å; V123-K125 PolarHBondContact O-N 3.15Å; K125-E128 PolarHBondContact O-N 3.07Å; K125-R129 VanDerWaalsContact O-CB 3.26Å; K125-R129 WeakPolarHBondContact O-CB 3.35Å; K125-R129 PolarHBondContact O-N 2.92Å
126E88.8Confident87.2Confident94 Ų9464.8 Ų64.844%0.43930%0.303SS..Hα-helixtrans-66.2-42176.3178.8138.6-125.900111.6D122 V123 R124 R129 N130D122-E126 PolarHBondContact O-N 3.11Å; D122-E126 VanDerWaalsContact O-N 3.15Å; V123-E126 PolarHBondContact O-N 3.33Å; R124-E126 VanDerWaalsContact C-N 3.27Å; R124-E126 PolarHBondContact O-N 2.96Å; E126-R129 IonicContact OE1-CZ 3.64Å; E126-R129 IonicContact OE1-NH2 3.52Å; E126-R129 PolarHBondContact OE1-NH2 3.38Å; E126-N130 VanDerWaalsContact O-CB 3.28Å; E126-N130 WeakPolarHBondContact O-CB 3.24Å; E126-N130 PolarHBondContact O-N 2.85Å; E126-N130 PolarHBondContact O-ND2 3.35Å; E126-N130 VanDerWaalsContact O-ND2 3.12Å
127F89.5Confident87.9Confident5 Ų563.7 Ų63.72%0.02230%0.298CS..Hα-helixtrans-60.3-47.8172171.9-101.6000112.5I21 V123 R124 N130 S131 F166 A170 Y173I21-F127 HydrophobicContact CD1-CE1 4.09Å; I21-F127 HydrophobicContact CD1-CZ 3.84Å; I21-F127 HydrophobicContact CG2-CE1 4.45Å; V123-F127 PolarHBondContact O-N 2.86Å; R124-F127 WeakPolarHBondContact O-CB 3.29Å; R124-F127 PolarHBondContact O-N 3.36Å; F127-N130 PolarHBondContact O-N 3.09Å; F127-S131 PolarHBondContact O-N 3.47Å; F127-F166 HydrophobicContact CD2-CE2 4.27Å; F127-F166 HydrophobicContact CE2-CD2 4.44Å; F127-F166 AromaticContact CE2-CE2 3.57Å; F127-F166 HydrophobicContact CE2-CE2 3.57Å; F127-F166 AromaticContact CE2-CZ 3.86Å; F127-F166 HydrophobicContact CE2-CZ 3.86Å; F127-F166 HydrophobicContact CZ-CE2 4.09Å; F127-F166 HydrophobicContact CZ-CZ 4.31Å; F127-A170 HydrophobicContact CD2-CB 3.9Å; F127-A170 HydrophobicContact CE2-CB 3.66Å; F127-Y173 HydrophobicContact CB-CD1 3.98Å; F127-Y173 HydrophobicContact CB-CG 4.04Å; F127-Y173 AromaticContact CD1-CD1 3.61Å; F127-Y173 HydrophobicContact CD1-CD1 3.61Å; F127-Y173 AromaticContact CD1-CE1 3.73Å; F127-Y173 HydrophobicContact CD1-CE1 3.73Å; F127-Y173 HydrophobicContact CD1-CG 4.5Å; F127-Y173 HydrophobicContact CD2-CD1 4.09Å; F127-Y173 HydrophobicContact CE1-CD1 4.1Å; F127-Y173 HydrophobicContact CE1-CE1 4.11Å; F127-Y173 AromaticContact CG-CD1 3.6Å; F127-Y173 HydrophobicContact CG-CD1 3.6Å; F127-Y173 HydrophobicContact CG-CE1 4.2Å; F127-Y173 HydrophobicContact CG-CG 4.14Å
128E88.6Confident88.5Confident64 Ų6466.9 Ų66.930%0.29932%0.315SS..Hα-helixtrans-58.8-50.2177.6-73168.3168.200111R124 K125 N130 S131 E132R124-E128 IonicContact CZ-OE1 2.7Å; R124-E128 VanDerWaalsContact CZ-OE1 3.23Å; R124-E128 IonicContact NE-OE1 3.2Å; R124-E128 PolarHBondContact NE-OE1 2.77Å; R124-E128 IonicContact NE-OE2 3.44Å; R124-E128 IonicContact NH2-OE1 2.76Å; R124-E128 PolarHBondContact NH2-OE1 3.32Å; R124-E128 WeakPolarHBondContact O-CG 3.34Å; R124-E128 PolarHBondContact O-N 3.12Å; K125-E128 PolarHBondContact O-N 3.07Å; E128-N130 VanDerWaalsContact C-N 3.33Å; E128-N130 PolarHBondContact O-N 3.05Å; E128-S131 WeakPolarHBondContact O-CB 3.4Å; E128-S131 PolarHBondContact O-N 3.36Å; E128-S131 VanDerWaalsContact O-N 3.07Å; E128-E132 PolarHBondContact O-N 2.94Å
129R91.8Very high88.9Confident133 Ų13361.1 Ų61.150%0.50230%0.302SS..Hα-helixtrans-56.9-42174.4-178.6-175.673.3116-6.7113K125 E126 S131 T133K125-R129 VanDerWaalsContact O-CB 3.26Å; K125-R129 WeakPolarHBondContact O-CB 3.35Å; K125-R129 PolarHBondContact O-N 2.92Å; E126-R129 IonicContact OE1-CZ 3.64Å; E126-R129 IonicContact OE1-NH2 3.52Å; E126-R129 PolarHBondContact OE1-NH2 3.38Å; R129-S131 VanDerWaalsContact C-N 3.33Å; R129-T133 WeakPolarHBondContact O-CB 3.37Å; R129-T133 PolarHBondContact O-N 2.82Å; R129-T133 PolarHBondContact O-OG1 3.49Å
130N91.4Very high89.2Confident18 Ų1863.6 Ų63.610%0.09631%0.309CS..Hα-helixtrans-69.6-31.8178.3-72.6-26.9000111.6E126 F127 E128 L134E126-N130 VanDerWaalsContact O-CB 3.28Å; E126-N130 WeakPolarHBondContact O-CB 3.24Å; E126-N130 PolarHBondContact O-N 2.85Å; E126-N130 PolarHBondContact O-ND2 3.35Å; E126-N130 VanDerWaalsContact O-ND2 3.12Å; F127-N130 PolarHBondContact O-N 3.09Å; E128-N130 VanDerWaalsContact C-N 3.33Å; E128-N130 PolarHBondContact O-N 3.05Å; N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 PolarHBondContact O-N 3.39Å
131S89.8Confident89.7Confident8 Ų865.7 Ų65.76%0.05632%0.32CS..Hα-helixtrans-66.8-50.3172.7-168.70000111.8R18 F127 E128 R129 T133 L134 E135R18-S131 PolarHBondContact NH1-OG 2.92Å; R18-S131 PolarHBondContact NH2-OG 3.17Å; F127-S131 PolarHBondContact O-N 3.47Å; E128-S131 WeakPolarHBondContact O-CB 3.4Å; E128-S131 PolarHBondContact O-N 3.36Å; E128-S131 VanDerWaalsContact O-N 3.07Å; R129-S131 VanDerWaalsContact C-N 3.33Å; S131-T133 VanDerWaalsContact C-N 3.25Å; S131-T133 PolarHBondContact O-N 3.21Å; S131-L134 WeakPolarHBondContact O-CB 3.13Å; S131-L134 PolarHBondContact O-N 2.94Å; S131-E135 PolarHBondContact O-N 2.89Å
132E92.4Very high90.1Very high138 Ų13865.4 Ų65.465%0.64534%0.335SS*.Hα-helixtrans-57.1-41.4176.3-68.4173.5175.900111.3E128 L134 E135 G136E128-E132 PolarHBondContact O-N 2.94Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.41Å; E132-E135 PolarHBondContact O-N 3.1Å; E132-G136 PolarHBondContact O-N 2.6Å
133T92.4Very high90.3Very high69 Ų6969.4 Ų69.442%0.42335%0.352SS..Hα-helixtrans-64-38.5176.7-57.40000111.9R129 S131 A137 A162R129-T133 WeakPolarHBondContact O-CB 3.37Å; R129-T133 PolarHBondContact O-N 2.82Å; R129-T133 PolarHBondContact O-OG1 3.49Å; S131-T133 VanDerWaalsContact C-N 3.25Å; S131-T133 PolarHBondContact O-N 3.21Å; T133-A137 WeakPolarHBondContact O-CB 3.41Å; T133-A137 PolarHBondContact O-N 3.17Å; T133-A162 HydrophobicContact CG2-CB 4.3Å
134L91.6Very high90.4Very high13 Ų1368.8 Ų68.87%0.06835%0.351CS..Hα-helixtrans-69-45.2176.317759.8000111.8N130 S131 E132 A137 L138 L159 A162 R163 F166N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 PolarHBondContact O-N 3.39Å; S131-L134 WeakPolarHBondContact O-CB 3.13Å; S131-L134 PolarHBondContact O-N 2.94Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 3.41Å; L134-A137 PolarHBondContact O-N 3.05Å; L134-L138 HydrophobicContact CD1-CD1 4.19Å; L134-L138 HydrophobicContact CD1-CG 4.2Å; L134-L138 HydrophobicContact CG-CD1 4.01Å; L134-L138 HydrophobicContact CG-CG 4.48Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.39Å; L134-L138 PolarHBondContact O-N 3.42Å; L134-L159 HydrophobicContact CD1-CD1 3.89Å; L134-A162 HydrophobicContact CD1-CB 4.33Å; L134-R163 HydrophobicContact CD1-CB 4.11Å; L134-F166 HydrophobicContact CB-CB 4.31Å; L134-F166 HydrophobicContact CD2-CB 3.85Å; L134-F166 HydrophobicContact CD2-CD1 3.63Å; L134-F166 HydrophobicContact CD2-CD2 4.07Å; L134-F166 HydrophobicContact CD2-CE1 4.19Å; L134-F166 HydrophobicContact CD2-CG 3.56Å
135E92.2Very high90.4Very high116 Ų11669 Ų6954%0.54236%0.359SS..Hα-helixtrans-60.5-45.9175.9-73.6175.1-152.200111.4S131 E132 A137 L138 A139S131-E135 PolarHBondContact O-N 2.89Å; E132-E135 PolarHBondContact O-N 3.1Å; E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 PolarHBondContact O-N 3.2Å; E135-L138 PolarHBondContact O-N 2.96Å; E135-A139 WeakPolarHBondContact O-CB 3.38Å; E135-A139 PolarHBondContact O-N 2.97Å
136G92.4Very high90.1Very high32 Ų3275 Ų7533%0.3338%0.379SS..Hα-helixtrans-65.7-25.917500000114.3E132 R140E132-G136 PolarHBondContact O-N 2.6Å; G136-R140 WeakPolarHBondContact O-CG 3.39Å; G136-R140 PolarHBondContact O-N 3.16Å; G136-R140 PolarHBondContact O-NE 3.15Å
137A92.1Very high89.7Confident2 Ų274.3 Ų74.32%0.01740%0.397CS..Hα-helixtrans-79.2-39.6172.100000112.2T133 L134 E135 R140 N141 L159 A162T133-A137 WeakPolarHBondContact O-CB 3.41Å; T133-A137 PolarHBondContact O-N 3.17Å; L134-A137 PolarHBondContact O-N 3.05Å; E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 PolarHBondContact O-N 3.2Å; A137-R140 PolarHBondContact O-N 3.17Å; A137-N141 WeakPolarHBondContact O-CB 3.37Å; A137-N141 PolarHBondContact O-N 3.11Å; A137-L159 HydrophobicContact CB-CB 4.5Å; A137-L159 HydrophobicContact CB-CD1 4.27Å; A137-A162 HydrophobicContact CB-CB 3.7Å
138L91.5Very high89.6Confident71 Ų7179.1 Ų79.137%0.37242%0.417SS..Hα-helixtrans-61.4-46.8174.1-76.5165.9000111.4L134 E135 N141 A142 L159L134-L138 HydrophobicContact CD1-CD1 4.19Å; L134-L138 HydrophobicContact CD1-CG 4.2Å; L134-L138 HydrophobicContact CG-CD1 4.01Å; L134-L138 HydrophobicContact CG-CG 4.48Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.39Å; L134-L138 PolarHBondContact O-N 3.42Å; E135-L138 PolarHBondContact O-N 2.96Å; L138-N141 PolarHBondContact O-N 2.82Å; L138-A142 WeakPolarHBondContact O-CB 3.34Å; L138-A142 PolarHBondContact O-N 3.11Å; L138-L159 HydrophobicContact CD2-CD1 3.55Å; L138-L159 HydrophobicContact CD2-CD2 4.12Å; L138-L159 HydrophobicContact CG-CD1 3.72Å
139A92.5Very high89.2Confident45 Ų4582.7 Ų82.737%0.37244%0.438SS..Hα-helixtrans-60.8-46.5177.800000112E135 N141 A142 Q143E135-A139 WeakPolarHBondContact O-CB 3.38Å; E135-A139 PolarHBondContact O-N 2.97Å; A139-N141 PolarHBondContact O-N 2.65Å; A139-A142 PolarHBondContact O-N 3.12Å; A139-Q143 WeakPolarHBondContact O-CB 3.49Å; A139-Q143 VanDerWaalsContact O-CG 3.29Å; A139-Q143 WeakPolarHBondContact O-CG 3.21Å; A139-Q143 PolarHBondContact O-N 3.47Å
140R89.1Confident88.9Confident150 Ų15083.3 Ų83.357%0.56645%0.446SS*.Hα-helixtrans-63.4-39.9176.7-76.3-175.9-68160.7-2.5112.8G136 A137 Q143 A144G136-R140 WeakPolarHBondContact O-CG 3.39Å; G136-R140 PolarHBondContact O-N 3.16Å; G136-R140 PolarHBondContact O-NE 3.15Å; A137-R140 PolarHBondContact O-N 3.17Å; R140-Q143 PolarHBondContact O-N 2.96Å; R140-A144 PolarHBondContact O-N 3.07Å
141N90.5Very high88.5Confident49 Ų4986.3 Ų86.326%0.26246%0.46SS..Hα-helixtrans-66.8-41.1176.6-172.6-103.5000112.1A137 L138 A139 Q143 A144 A155 T156 L159A137-N141 WeakPolarHBondContact O-CB 3.37Å; A137-N141 PolarHBondContact O-N 3.11Å; L138-N141 PolarHBondContact O-N 2.82Å; A139-N141 PolarHBondContact O-N 2.65Å; N141-Q143 VanDerWaalsContact C-N 3.34Å; N141-Q143 PolarHBondContact O-N 2.71Å; N141-A144 WeakPolarHBondContact O-CB 3.28Å; N141-A144 PolarHBondContact O-N 2.94Å; N141-A155 HydrophobicContact CB-CB 4.45Å; N141-A155 PolarHBondContact ND2-O 3.2Å; N141-T156 WeakPolarHBondContact ND2-CA 3.27Å; N141-T156 PolarHBondContact ND2-N 3.38Å; N141-T156 PolarHBondContact ND2-OG1 2.81Å; N141-L159 HydrophobicContact CB-CB 4.41Å; N141-L159 HydrophobicContact CB-CD2 3.96Å
142A89.6Confident88.4Confident88 Ų8888 Ų8873%0.72747%0.47SS*.Hα-helixtrans-68.3-30177.800000113.7L138 A139L138-A142 WeakPolarHBondContact O-CB 3.34Å; L138-A142 PolarHBondContact O-N 3.11Å; A139-A142 PolarHBondContact O-N 3.12Å
143Q90.1Very high88.2Confident157 Ų15787.2 Ų87.273%0.73447%0.466SS*.THydrogen-bonded Turntrans-87.5-5.3178.9-68.4174.22.900113.8A139 R140 N141A139-Q143 WeakPolarHBondContact O-CB 3.49Å; A139-Q143 VanDerWaalsContact O-CG 3.29Å; A139-Q143 WeakPolarHBondContact O-CG 3.21Å; A139-Q143 PolarHBondContact O-N 3.47Å; R140-Q143 PolarHBondContact O-N 2.96Å; N141-Q143 VanDerWaalsContact C-N 3.34Å; N141-Q143 PolarHBondContact O-N 2.71Å
144A88.6Confident87.9Confident22 Ų2290.1 Ų90.118%0.18248%0.475CS..  trans-65126.8-17600000112R140 N141 R146 V152 A155R140-A144 PolarHBondContact O-N 3.07Å; N141-A144 WeakPolarHBondContact O-CB 3.28Å; N141-A144 PolarHBondContact O-N 2.94Å; A144-R146 PolarHBondContact O-N 3.23Å; A144-V152 HydrophobicContact CB-CG2 3.94Å; A144-A155 HydrophobicContact CB-CB 4.41Å
145P85.1Confident87.8Confident62 Ų6290.2 Ų90.240%0.40348%0.477SS..  trans-74122.9-174.528.5-34.3000111.7G147 K148P145-G147 PolarHBondContact O-N 3.3Å; P145-K148 HydrophobicContact CG-CB 4.36Å; P145-K148 HydrophobicContact CG-CD 4.04Å; P145-K148 HydrophobicContact CG-CG 4.37Å; P145-K148 PolarHBondContact O-N 3.01Å
146R81.3Confident87.6Confident240 Ų24087.3 Ų87.391%0.90647%0.468SS*.THydrogen-bonded Turntrans-53.2-22.2-177.4-65.1-176.8-179.5177.9-0115.4A144 K148A144-R146 PolarHBondContact O-N 3.23Å; R146-K148 VanDerWaalsContact C-N 3.35Å
147G81.2Confident87.6Confident78 Ų7889.6 Ų89.680%0.80447%0.472SS*.THydrogen-bonded Turntrans-78.7-9.1178.400000115.4P145P145-G147 PolarHBondContact O-N 3.3Å
148K87.1Confident87.5Confident106 Ų10691 Ų9146%0.46148%0.484SS..  trans-121.788.5-177.2-65.1-176.8-178.4177.80111.4P145 R146 H150 E151 V152P145-K148 HydrophobicContact CG-CB 4.36Å; P145-K148 HydrophobicContact CG-CD 4.04Å; P145-K148 HydrophobicContact CG-CG 4.37Å; P145-K148 PolarHBondContact O-N 3.01Å; R146-K148 VanDerWaalsContact C-N 3.35Å; K148-H150 VanDerWaalsContact C-N 3.28Å; K148-H150 PolarHBondContact O-N 3.31Å; K148-E151 HydrophobicContact CB-CB 4.27Å; K148-E151 HydrophobicContact CB-CG 4.45Å; K148-E151 HydrophobicContact CD-CG 4.22Å; K148-E151 VanDerWaalsContact CD-OE1 3.22Å; K148-E151 WeakPolarHBondContact CD-OE1 3.33Å; K148-E151 WeakPolarHBondContact CD-OE2 3.36Å; K148-E151 WeakPolarHBondContact CE-OE1 3.36Å; K148-E151 IonicContact NZ-OE1 2.71Å; K148-E151 PolarHBondContact NZ-OE1 3.43Å; K148-E151 IonicContact NZ-OE2 3.68Å; K148-E151 PolarHBondContact NZ-OE2 2.94Å; K148-E151 PolarHBondContact O-N 3.4Å; K148-V152 WeakPolarHBondContact O-CG2 3.26Å; K148-V152 PolarHBondContact O-N 2.93Å
149L81.4Confident87.5Confident140 Ų14088.3 Ų88.373%0.73347%0.47SS*.Hα-helixtrans-57.1-37.4-174.6-63.5175.6000113.7V152 E153L149-V152 PolarHBondContact O-N 3.07Å; L149-E153 WeakPolarHBondContact O-CB 3.48Å; L149-E153 PolarHBondContact O-N 3.33Å
150H84Confident87.5Confident145 Ų14590.6 Ų90.667%0.67148%0.476SS*.Hα-helixtrans-65.9-43-179.6-170.453.5000113.2K148 V152 E153 E154K148-H150 VanDerWaalsContact C-N 3.28Å; K148-H150 PolarHBondContact O-N 3.31Å; H150-V152 VanDerWaalsContact C-N 3.31Å; H150-V152 PolarHBondContact O-N 3.49Å; H150-E153 PolarHBondContact O-N 3.5Å; H150-E154 PolarHBondContact O-N 3.2Å
151E83.9Confident87.6Confident81 Ų8188.4 Ų88.438%0.37948%0.475SS..Hα-helixtrans-66.8-34.2176.4-70.7177.6-162.900111.4K148 A155K148-E151 HydrophobicContact CB-CB 4.27Å; K148-E151 HydrophobicContact CB-CG 4.45Å; K148-E151 HydrophobicContact CD-CG 4.22Å; K148-E151 VanDerWaalsContact CD-OE1 3.22Å; K148-E151 WeakPolarHBondContact CD-OE1 3.33Å; K148-E151 WeakPolarHBondContact CD-OE2 3.36Å; K148-E151 WeakPolarHBondContact CE-OE1 3.36Å; K148-E151 IonicContact NZ-OE1 2.71Å; K148-E151 PolarHBondContact NZ-OE1 3.43Å; K148-E151 IonicContact NZ-OE2 3.68Å; K148-E151 PolarHBondContact NZ-OE2 2.94Å; K148-E151 PolarHBondContact O-N 3.4Å; E151-A155 VanDerWaalsContact O-CB 3.24Å; E151-A155 WeakPolarHBondContact O-CB 3.23Å; E151-A155 PolarHBondContact O-N 3.11Å
152V86.7Confident87.6Confident45 Ų4586.5 Ų86.527%0.27347%0.466SS..Hα-helixtrans-67.6-41.1174.3174.50000111.4A144 K148 L149 H150 T156A144-V152 HydrophobicContact CB-CG2 3.94Å; K148-V152 WeakPolarHBondContact O-CG2 3.26Å; K148-V152 PolarHBondContact O-N 2.93Å; L149-V152 PolarHBondContact O-N 3.07Å; H150-V152 VanDerWaalsContact C-N 3.31Å; H150-V152 PolarHBondContact O-N 3.49Å; V152-T156 VanDerWaalsContact O-CB 3.29Å; V152-T156 WeakPolarHBondContact O-CB 3.39Å; V152-T156 PolarHBondContact O-N 3.45Å; V152-T156 PolarHBondContact O-OG1 3.06Å
153E87.9Confident87.7Confident121 Ų12187.1 Ų87.157%0.56545%0.449SS*.Hα-helixtrans-68.1-44.6178.1-173.4172.1-160.700111.8L149 H150 T156 N157L149-E153 WeakPolarHBondContact O-CB 3.48Å; L149-E153 PolarHBondContact O-N 3.33Å; H150-E153 PolarHBondContact O-N 3.5Å; E153-T156 PolarHBondContact O-N 3.33Å; E153-N157 PolarHBondContact O-N 2.74Å; E153-N157 PolarHBondContact O-ND2 3.27Å; E153-N157 VanDerWaalsContact O-ND2 3.15Å
154E88Confident87.7Confident129 Ų12987.3 Ų87.360%0.60345%0.448SS*.Hα-helixtrans-59.7-49.4174-170.6-170.8165.600111.3H150 T156 N157 A158H150-E154 PolarHBondContact O-N 3.2Å; E154-T156 PolarHBondContact O-N 3.27Å; E154-N157 PolarHBondContact O-N 3.15Å; E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.42Å
155A88.6Confident87.7Confident15 Ų1589.3 Ų89.312%0.12446%0.46CS..Hα-helixtrans-63.1-31.3178.300000112.6N141 A144 E151 L159N141-A155 HydrophobicContact CB-CB 4.45Å; N141-A155 PolarHBondContact ND2-O 3.2Å; A144-A155 HydrophobicContact CB-CB 4.41Å; E151-A155 VanDerWaalsContact O-CB 3.24Å; E151-A155 WeakPolarHBondContact O-CB 3.23Å; E151-A155 PolarHBondContact O-N 3.11Å; A155-L159 WeakPolarHBondContact O-CB 3.45Å; A155-L159 PolarHBondContact O-N 3.09Å; A155-L159 VanDerWaalsContact O-N 3.07Å
156T88.9Confident88Confident55 Ų5586.6 Ų86.634%0.33744%0.442SS..Hα-helixtrans-73.2-43.2176.3-59.60000111.4N141 V152 E153 E154 L159 L160N141-T156 WeakPolarHBondContact ND2-CA 3.27Å; N141-T156 PolarHBondContact ND2-N 3.38Å; N141-T156 PolarHBondContact ND2-OG1 2.81Å; V152-T156 VanDerWaalsContact O-CB 3.29Å; V152-T156 WeakPolarHBondContact O-CB 3.39Å; V152-T156 PolarHBondContact O-N 3.45Å; V152-T156 PolarHBondContact O-OG1 3.06Å; E153-T156 PolarHBondContact O-N 3.33Å; E154-T156 PolarHBondContact O-N 3.27Å; T156-L159 PolarHBondContact O-N 2.86Å; T156-L160 HydrophobicContact CG2-CD1 4.46Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 2.94Å
157N90.8Very high88.3Confident80 Ų8080.4 Ų80.443%0.42842%0.419SS..Hα-helixtrans-64.4-40.2174.7-75.7-43.5000111.9E153 E154 L159 L160 N161E153-N157 PolarHBondContact O-N 2.74Å; E153-N157 PolarHBondContact O-ND2 3.27Å; E153-N157 VanDerWaalsContact O-ND2 3.15Å; E154-N157 PolarHBondContact O-N 3.15Å; N157-L159 VanDerWaalsContact C-N 3.34Å; N157-L159 PolarHBondContact O-N 3.5Å; N157-L160 PolarHBondContact O-N 3.47Å; N157-N161 PolarHBondContact O-N 2.97Å; N157-N161 PolarHBondContact O-ND2 3.27Å
158A90.7Very high88.7Confident32 Ų3279.9 Ų79.926%0.26440%0.403SS..Hα-helixtrans-60.2-42.2172.400000112.1E154 A162E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.42Å; A158-A162 WeakPolarHBondContact O-CB 3.48Å; A158-A162 PolarHBondContact O-N 3.3Å
159L92.4Very high88.7Confident15 Ų1575.1 Ų75.18%0.07938%0.384CS..Hα-helixtrans-65.6-42.6175.7175.160000112.8L134 A137 L138 N141 A155 T156 N157 N161 A162 R163L134-L159 HydrophobicContact CD1-CD1 3.89Å; A137-L159 HydrophobicContact CB-CB 4.5Å; A137-L159 HydrophobicContact CB-CD1 4.27Å; L138-L159 HydrophobicContact CD2-CD1 3.55Å; L138-L159 HydrophobicContact CD2-CD2 4.12Å; L138-L159 HydrophobicContact CG-CD1 3.72Å; N141-L159 HydrophobicContact CB-CB 4.41Å; N141-L159 HydrophobicContact CB-CD2 3.96Å; A155-L159 WeakPolarHBondContact O-CB 3.45Å; A155-L159 PolarHBondContact O-N 3.09Å; A155-L159 VanDerWaalsContact O-N 3.07Å; T156-L159 PolarHBondContact O-N 2.86Å; N157-L159 VanDerWaalsContact C-N 3.34Å; N157-L159 PolarHBondContact O-N 3.5Å; L159-N161 VanDerWaalsContact C-N 3.34Å; L159-N161 PolarHBondContact O-N 3.33Å; L159-A162 PolarHBondContact O-N 2.72Å; L159-R163 VanDerWaalsContact O-CB 3.26Å; L159-R163 WeakPolarHBondContact O-CB 3.37Å; L159-R163 PolarHBondContact O-N 3.02Å
160L91.3Very high89Confident93 Ų9368.5 Ų68.549%0.48735%0.349SS..Hα-helixtrans-62.1-42.8177.2-71.7173.6000111.6T156 N157 K164T156-L160 HydrophobicContact CG2-CD1 4.46Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 2.94Å; N157-L160 PolarHBondContact O-N 3.47Å; L160-K164 PolarHBondContact O-N 3.23Å
161N91.3Very high89.3Confident104 Ų10464.4 Ų64.456%0.55633%0.332SS*.Hα-helixtrans-64.7-48.8175.4-73.5-28.4000111.8N157 L159 R163 K164 S165N157-N161 PolarHBondContact O-N 2.97Å; N157-N161 PolarHBondContact O-ND2 3.27Å; L159-N161 VanDerWaalsContact C-N 3.34Å; L159-N161 PolarHBondContact O-N 3.33Å; N161-R163 VanDerWaalsContact C-N 3.31Å; N161-R163 PolarHBondContact O-N 2.85Å; N161-K164 WeakPolarHBondContact O-CB 3.1Å; N161-K164 PolarHBondContact O-N 3.29Å; N161-K164 VanDerWaalsContact O-N 3.13Å; N161-S165 PolarHBondContact O-N 3.2Å; N161-S165 PolarHBondContact O-OG 2.92Å
162A91.4Very high89.5Confident9 Ų964.3 Ų64.37%0.07433%0.334CS..Hα-helixtrans-59.4-41177.300000112.2T133 L134 A137 A158 L159 K164 S165 F166T133-A162 HydrophobicContact CG2-CB 4.3Å; L134-A162 HydrophobicContact CD1-CB 4.33Å; A137-A162 HydrophobicContact CB-CB 3.7Å; A158-A162 WeakPolarHBondContact O-CB 3.48Å; A158-A162 PolarHBondContact O-N 3.3Å; L159-A162 PolarHBondContact O-N 2.72Å; A162-K164 PolarHBondContact O-N 2.73Å; A162-S165 PolarHBondContact O-N 3.47Å; A162-F166 WeakPolarHBondContact O-CB 3.43Å; A162-F166 PolarHBondContact O-N 3.38Å
163R91Very high89.5Confident100 Ų10062.2 Ų62.238%0.37732%0.321SS..Hα-helixtrans-66.2-34.7176.2-175.7176.1-72.2174.3-2.7112.5L134 L159 N161 R167L134-R163 HydrophobicContact CD1-CB 4.11Å; L159-R163 VanDerWaalsContact O-CB 3.26Å; L159-R163 WeakPolarHBondContact O-CB 3.37Å; L159-R163 PolarHBondContact O-N 3.02Å; N161-R163 VanDerWaalsContact C-N 3.31Å; N161-R163 PolarHBondContact O-N 2.85Å; R163-R167 WeakPolarHBondContact O-CB 3.26Å; R163-R167 VanDerWaalsContact O-CG 3.29Å; R163-R167 WeakPolarHBondContact O-CG 3.45Å; R163-R167 PolarHBondContact O-N 2.86Å; R163-R167 VanDerWaalsContact O-N 3.1Å
164K89.9Confident89.4Confident162 Ų16256.4 Ų56.470%0.70429%0.294SS*.Hα-helixtrans-67.4-47.6174-174-178.5177.5-175.80111.2L160 N161 A162 R167 S168L160-K164 PolarHBondContact O-N 3.23Å; N161-K164 WeakPolarHBondContact O-CB 3.1Å; N161-K164 PolarHBondContact O-N 3.29Å; N161-K164 VanDerWaalsContact O-N 3.13Å; A162-K164 PolarHBondContact O-N 2.73Å; K164-R167 PolarHBondContact O-N 3.36Å; K164-S168 PolarHBondContact O-N 3.42Å; K164-S168 VanDerWaalsContact O-N 3.09Å
165S88.9Confident89.3Confident63 Ų6354.2 Ų54.244%0.44129%0.286SS..Hα-helixtrans-63.2-43.7177.8-64.70000112.5N161 A162 S168 G169N161-S165 PolarHBondContact O-N 3.2Å; N161-S165 PolarHBondContact O-OG 2.92Å; A162-S165 PolarHBondContact O-N 3.47Å; S165-S168 PolarHBondContact O-N 3.48Å; S165-G169 PolarHBondContact O-N 2.85Å
166F91.3Very high89.2Confident5 Ų556.3 Ų56.32%0.02229%0.293CS..Hα-helixtrans-58.4-48.3174.1177.2-98.1000112D13 F127 L134 A162 S168 G169 A170D13-F166 HydrophobicContact CB-CE1 4.05Å; D13-F166 HydrophobicContact CB-CZ 4.42Å; F127-F166 HydrophobicContact CD2-CE2 4.27Å; F127-F166 HydrophobicContact CE2-CD2 4.44Å; F127-F166 AromaticContact CE2-CE2 3.57Å; F127-F166 HydrophobicContact CE2-CE2 3.57Å; F127-F166 AromaticContact CE2-CZ 3.86Å; F127-F166 HydrophobicContact CE2-CZ 3.86Å; F127-F166 HydrophobicContact CZ-CE2 4.09Å; F127-F166 HydrophobicContact CZ-CZ 4.31Å; L134-F166 HydrophobicContact CB-CB 4.31Å; L134-F166 HydrophobicContact CD2-CB 3.85Å; L134-F166 HydrophobicContact CD2-CD1 3.63Å; L134-F166 HydrophobicContact CD2-CD2 4.07Å; L134-F166 HydrophobicContact CD2-CE1 4.19Å; L134-F166 HydrophobicContact CD2-CG 3.56Å; A162-F166 WeakPolarHBondContact O-CB 3.43Å; A162-F166 PolarHBondContact O-N 3.38Å; F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 2.76Å; F166-G169 PolarHBondContact O-N 2.81Å; F166-A170 HydrophobicContact CE1-CB 4.34Å; F166-A170 HydrophobicContact CZ-CB 4.39Å; F166-A170 WeakPolarHBondContact O-CB 3.42Å; F166-A170 PolarHBondContact O-N 3.22Å
167R88Confident88.8Confident111 Ų11154 Ų5442%0.41928%0.279SS..Hα-helixtrans-60.6-38.9178.6-77.6173.9171-179-4.8113.1L11 R163 K164 L171L11-R167 HydrophobicContact CD2-CB 4.12Å; L11-R167 HydrophobicContact CD2-CG 3.92Å; R163-R167 WeakPolarHBondContact O-CB 3.26Å; R163-R167 VanDerWaalsContact O-CG 3.29Å; R163-R167 WeakPolarHBondContact O-CG 3.45Å; R163-R167 PolarHBondContact O-N 2.86Å; R163-R167 VanDerWaalsContact O-N 3.1Å; K164-R167 PolarHBondContact O-N 3.36Å; R167-L171 VanDerWaalsContact O-CG 3.24Å; R167-L171 WeakPolarHBondContact O-CG 3.42Å; R167-L171 PolarHBondContact O-N 3.13Å; R167-L171 VanDerWaalsContact O-N 3.15Å
168S89Confident88.4Confident67 Ų6752 Ų5247%0.46927%0.268SS..Hα-helixtrans-62.9-59.2173.8-162.70000110.5K164 S165 F166 A170 L171 D172K164-S168 PolarHBondContact O-N 3.42Å; K164-S168 VanDerWaalsContact O-N 3.09Å; S165-S168 PolarHBondContact O-N 3.48Å; F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 2.76Å; S168-A170 PolarHBondContact O-N 2.94Å; S168-A170 VanDerWaalsContact O-N 3.14Å; S168-L171 WeakPolarHBondContact O-CB 3.48Å; S168-L171 PolarHBondContact O-N 2.84Å; S168-D172 VanDerWaalsContact C-OD2 3.31Å; S168-D172 VanDerWaalsContact O-CG 3.27Å; S168-D172 PolarHBondContact O-N 3.48Å; S168-D172 PolarHBondContact OG-OD2 2.78Å
169G88Confident88.1Confident6 Ų652.7 Ų52.76%0.06227%0.269CS..Hα-helixtrans-61.6-28-176.400000114S165 F166 Y173S165-G169 PolarHBondContact O-N 2.85Å; F166-G169 PolarHBondContact O-N 2.81Å; G169-Y173 WeakPolarHBondContact O-CB 2.8Å; G169-Y173 PolarHBondContact O-N 2.83Å
170A87.6Confident87.4Confident0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-73.7-38.5174.100000112.5C10 F127 F166 S168 V174C10-A170 WeakPolarHBondContact SG-CB 3.16Å; C10-A170 PolarHBondContact SG-O 2.85Å; C10-A170 VanDerWaalsContact SG-O 3.37Å; F127-A170 HydrophobicContact CD2-CB 3.9Å; F127-A170 HydrophobicContact CE2-CB 3.66Å; F166-A170 HydrophobicContact CE1-CB 4.34Å; F166-A170 HydrophobicContact CZ-CB 4.39Å; F166-A170 WeakPolarHBondContact O-CB 3.42Å; F166-A170 PolarHBondContact O-N 3.22Å; S168-A170 PolarHBondContact O-N 2.94Å; S168-A170 VanDerWaalsContact O-N 3.14Å; A170-V174 WeakPolarHBondContact O-CB 3.22Å; A170-V174 VanDerWaalsContact O-CG2 3.26Å; A170-V174 WeakPolarHBondContact O-CG2 3.41Å; A170-V174 PolarHBondContact O-N 3.11Å
171L88.8Confident86.7Confident60 Ų6049.5 Ų49.531%0.31425%0.251SS..Hα-helixtrans-65.9-44.1172-70.8171.3000111.1F7 L11 R167 S168 Y173 V174 L175F7-L171 HydrophobicContact CB-CD2 4.17Å; F7-L171 HydrophobicContact CD1-CD2 3.76Å; F7-L171 HydrophobicContact CG-CD2 4.44Å; L11-L171 HydrophobicContact CD2-CD1 4.27Å; L11-L171 HydrophobicContact CD2-CD2 4.39Å; L11-L171 HydrophobicContact CD2-CG 4.37Å; R167-L171 VanDerWaalsContact O-CG 3.24Å; R167-L171 WeakPolarHBondContact O-CG 3.42Å; R167-L171 PolarHBondContact O-N 3.13Å; R167-L171 VanDerWaalsContact O-N 3.15Å; S168-L171 WeakPolarHBondContact O-CB 3.48Å; S168-L171 PolarHBondContact O-N 2.84Å; L171-Y173 VanDerWaalsContact C-N 3.34Å; L171-Y173 PolarHBondContact O-N 2.76Å; L171-V174 PolarHBondContact O-N 3Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 PolarHBondContact O-N 3.4Å
172D88.3Confident86Confident79 Ų7947.7 Ų47.742%0.42225%0.251SS..Hα-helixtrans-61.2-42.9177.3-61.9-42.1000110.9S168 L175 E176S168-D172 VanDerWaalsContact C-OD2 3.31Å; S168-D172 VanDerWaalsContact O-CG 3.27Å; S168-D172 PolarHBondContact O-N 3.48Å; S168-D172 PolarHBondContact OG-OD2 2.78Å; D172-L175 PolarHBondContact O-N 2.97Å; D172-E176 PolarHBondContact O-N 3.25Å
173Y87.1Confident85.4Confident0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-67.1-41.9176.7-174.2-135.3000113.1I21 Q25 F120 V123 R124 F127 G169 L171 L175 E176 I177I21-Y173 HydrophobicContact CD1-CD1 4.17Å; I21-Y173 HydrophobicContact CD1-CE1 4.12Å; I21-Y173 HydrophobicContact CG1-CE1 4.44Å; I21-Y173 HydrophobicContact CG2-CE1 3.98Å; Q25-Y173 VanDerWaalsContact CG-OH 3.24Å; Q25-Y173 WeakPolarHBondContact CG-OH 3.14Å; Q25-Y173 PolarHBondContact NE2-OH 3.17Å; F120-Y173 HydrophobicContact CE1-CE2 4.13Å; F120-Y173 AromaticContact CE2-CE2 3.94Å; F120-Y173 HydrophobicContact CE2-CE2 3.94Å; F120-Y173 AromaticContact CZ-CE2 3.62Å; F120-Y173 HydrophobicContact CZ-CE2 3.62Å; V123-Y173 HydrophobicContact CG1-CD2 4.1Å; R124-Y173 HydrophobicContact CB-CD2 4.46Å; R124-Y173 HydrophobicContact CB-CE2 3.74Å; R124-Y173 HydrophobicContact CG-CE2 4.2Å; F127-Y173 HydrophobicContact CB-CD1 3.98Å; F127-Y173 HydrophobicContact CB-CG 4.04Å; F127-Y173 AromaticContact CD1-CD1 3.61Å; F127-Y173 HydrophobicContact CD1-CD1 3.61Å; F127-Y173 AromaticContact CD1-CE1 3.73Å; F127-Y173 HydrophobicContact CD1-CE1 3.73Å; F127-Y173 HydrophobicContact CD1-CG 4.5Å; F127-Y173 HydrophobicContact CD2-CD1 4.09Å; F127-Y173 HydrophobicContact CE1-CD1 4.1Å; F127-Y173 HydrophobicContact CE1-CE1 4.11Å; F127-Y173 AromaticContact CG-CD1 3.6Å; F127-Y173 HydrophobicContact CG-CD1 3.6Å; F127-Y173 HydrophobicContact CG-CE1 4.2Å; F127-Y173 HydrophobicContact CG-CG 4.14Å; G169-Y173 WeakPolarHBondContact O-CB 2.8Å; G169-Y173 PolarHBondContact O-N 2.83Å; L171-Y173 VanDerWaalsContact C-N 3.34Å; L171-Y173 PolarHBondContact O-N 2.76Å; Y173-L175 VanDerWaalsContact C-N 3.34Å; Y173-E176 PolarHBondContact O-N 3.21Å; Y173-I177 HydrophobicContact CD1-CD1 4.02Å; Y173-I177 HydrophobicContact CD2-CD1 4.24Å; Y173-I177 HydrophobicContact CD2-CG1 4.37Å; Y173-I177 HydrophobicContact CE1-CD1 3.82Å; Y173-I177 HydrophobicContact CE2-CD1 4.02Å; Y173-I177 HydrophobicContact CE2-CG1 4.15Å; Y173-I177 HydrophobicContact CG-CD1 4.23Å; Y173-I177 VanDerWaalsContact O-CG1 3.27Å; Y173-I177 WeakPolarHBondContact O-CG1 3.43Å; Y173-I177 PolarHBondContact O-N 3.5Å
174V86.6Confident84.7Confident0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-65-37.4175.21670000111.8L5 F7 C10 F17 A170 L171 N178L5-V174 HydrophobicContact CB-CG1 3.86Å; L5-V174 HydrophobicContact CB-CG2 4.28Å; L5-V174 HydrophobicContact CD1-CG2 4.23Å; F7-V174 HydrophobicContact CD1-CB 4.33Å; F7-V174 HydrophobicContact CD1-CG1 3.69Å; F7-V174 HydrophobicContact CE1-CB 4.22Å; F7-V174 HydrophobicContact CE1-CG1 3.62Å; F7-V174 HydrophobicContact CG-CG1 4.35Å; F7-V174 HydrophobicContact CZ-CG1 4.2Å; C10-V174 HydrophobicContact CB-CG2 4.13Å; F17-V174 HydrophobicContact CE2-CG2 3.69Å; F17-V174 HydrophobicContact CZ-CG2 3.85Å; A170-V174 WeakPolarHBondContact O-CB 3.22Å; A170-V174 VanDerWaalsContact O-CG2 3.26Å; A170-V174 WeakPolarHBondContact O-CG2 3.41Å; A170-V174 PolarHBondContact O-N 3.11Å; L171-V174 PolarHBondContact O-N 3Å; V174-N178 WeakPolarHBondContact O-CB 3.43Å; V174-N178 PolarHBondContact O-N 2.88Å; V174-N178 VanDerWaalsContact O-N 3.09Å; V174-N178 PolarHBondContact O-ND2 3.41Å; V174-N178 VanDerWaalsContact O-ND2 3.09Å
175L86.3Confident84.2Confident82 Ų8245.5 Ų45.543%0.42924%0.243SC..Hα-helixtrans-61.3-51.5173.7177.261.7000111F7 L171 D172 Y173 I177 N178 V179F7-L175 HydrophobicContact CE1-CB 4.37Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 PolarHBondContact O-N 3.4Å; D172-L175 PolarHBondContact O-N 2.97Å; Y173-L175 VanDerWaalsContact C-N 3.34Å; L175-I177 PolarHBondContact O-N 3.35Å; L175-N178 PolarHBondContact O-N 3.43Å; L175-N178 VanDerWaalsContact O-N 3.17Å; L175-V179 HydrophobicContact CD1-CG2 4.04Å; L175-V179 HydrophobicContact CG-CG2 4.42Å; L175-V179 WeakPolarHBondContact O-CG2 3.47Å; L175-V179 PolarHBondContact O-N 2.95Å
176E84.7Confident83.9Confident59 Ų5945.4 Ų45.428%0.27625%0.245SC..Hα-helixtrans-64.6-37.2-179.6-74.1-61138.400112.8V123 D172 Y173 N178 V179 F180V123-E176 HydrophobicContact CG2-CG 4.37Å; D172-E176 PolarHBondContact O-N 3.25Å; Y173-E176 PolarHBondContact O-N 3.21Å; E176-N178 PolarHBondContact O-N 3.4Å; E176-V179 PolarHBondContact O-N 2.92Å; E176-F180 WeakPolarHBondContact O-CB 3.45Å; E176-F180 PolarHBondContact O-N 3.47Å
177I81.8Confident83.3Confident7 Ų747.7 Ų47.74%0.03626%0.258CS..Hα-helixtrans-56.1-50.8170.3-71.7165.3000110.7L5 V24 F120 Y173 L175 F180 E181L5-I177 HydrophobicContact CD1-CB 4.36Å; L5-I177 HydrophobicContact CD1-CD1 3.48Å; L5-I177 VanDerWaalsContact CD1-CD1 3.48Å; L5-I177 HydrophobicContact CD1-CG1 4.48Å; L5-I177 HydrophobicContact CD1-CG2 3.92Å; V24-I177 HydrophobicContact CG1-CD1 4.12Å; V24-I177 HydrophobicContact CG1-CG1 4.06Å; V24-I177 HydrophobicContact CG1-CG2 3.85Å; F120-I177 HydrophobicContact CE2-CB 4.4Å; F120-I177 HydrophobicContact CE2-CG1 3.52Å; F120-I177 HydrophobicContact CZ-CG1 3.95Å; Y173-I177 HydrophobicContact CD1-CD1 4.02Å; Y173-I177 HydrophobicContact CD2-CD1 4.24Å; Y173-I177 HydrophobicContact CD2-CG1 4.37Å; Y173-I177 HydrophobicContact CE1-CD1 3.82Å; Y173-I177 HydrophobicContact CE2-CD1 4.02Å; Y173-I177 HydrophobicContact CE2-CG1 4.15Å; Y173-I177 HydrophobicContact CG-CD1 4.23Å; Y173-I177 VanDerWaalsContact O-CG1 3.27Å; Y173-I177 WeakPolarHBondContact O-CG1 3.43Å; Y173-I177 PolarHBondContact O-N 3.5Å; L175-I177 PolarHBondContact O-N 3.35Å; I177-F180 PolarHBondContact O-N 3.36Å; I177-E181 WeakPolarHBondContact O-CB 3.25Å; I177-E181 PolarHBondContact O-N 3.42Å
178N82.4Confident82.8Confident37 Ų3746 Ų4620%0.19826%0.256CS..Hα-helixtrans-67.3-38.4-176.7-77.6-40.1000112K4 L5 V174 L175 E176 A182K4-N178 WeakPolarHBondContact CA-OD1 3.47Å; L5-N178 PolarHBondContact N-OD1 3.27Å; L5-N178 PolarHBondContact O-ND2 3.23Å; V174-N178 WeakPolarHBondContact O-CB 3.43Å; V174-N178 PolarHBondContact O-N 2.88Å; V174-N178 VanDerWaalsContact O-N 3.09Å; V174-N178 PolarHBondContact O-ND2 3.41Å; V174-N178 VanDerWaalsContact O-ND2 3.09Å; L175-N178 PolarHBondContact O-N 3.43Å; L175-N178 VanDerWaalsContact O-N 3.17Å; E176-N178 PolarHBondContact O-N 3.4Å; N178-A182 WeakPolarHBondContact O-CB 3.18Å; N178-A182 PolarHBondContact O-N 3.03Å
179V83.1Confident82.6Confident48 Ų4848.2 Ų48.229%0.29126%0.262SS..Hα-helixtrans-67.6-43.7175.4170.60000111.4L175 E176 A182 K183L175-V179 HydrophobicContact CD1-CG2 4.04Å; L175-V179 HydrophobicContact CG-CG2 4.42Å; L175-V179 WeakPolarHBondContact O-CG2 3.47Å; L175-V179 PolarHBondContact O-N 2.95Å; E176-V179 PolarHBondContact O-N 2.92Å; V179-A182 PolarHBondContact O-N 3.01Å; V179-K183 HydrophobicContact CG1-CD 4.08Å; V179-K183 HydrophobicContact CG1-CG 4.38Å; V179-K183 PolarHBondContact O-N 3.42Å
180F78.6Confident82.5Confident12 Ų1252.1 Ų52.15%0.05328%0.281CS..Hα-helixtrans-63.3-45.5177.8-178.8-96000112.1V28 F112 D116 V117 E176 I177 A182 K183 K184V28-F180 HydrophobicContact CG2-CE1 4.31Å; F112-F180 HydrophobicContact CE1-CE2 4.2Å; F112-F180 HydrophobicContact CE1-CZ 4.21Å; F112-F180 HydrophobicContact CE2-CD2 4.15Å; F112-F180 AromaticContact CE2-CE2 3.65Å; F112-F180 HydrophobicContact CE2-CE2 3.65Å; F112-F180 HydrophobicContact CE2-CZ 4.21Å; F112-F180 HydrophobicContact CZ-CD2 4.25Å; F112-F180 HydrophobicContact CZ-CE1 4.44Å; F112-F180 AromaticContact CZ-CE2 3.36Å; F112-F180 HydrophobicContact CZ-CE2 3.36Å; F112-F180 AromaticContact CZ-CZ 3.49Å; F112-F180 HydrophobicContact CZ-CZ 3.49Å; F112-F180 VanDerWaalsContact CZ-CZ 3.49Å; D116-F180 HydrophobicContact CB-CD2 4.42Å; V117-F180 HydrophobicContact CG2-CE2 3.85Å; V117-F180 HydrophobicContact CG2-CZ 4.15Å; E176-F180 WeakPolarHBondContact O-CB 3.45Å; E176-F180 PolarHBondContact O-N 3.47Å; I177-F180 PolarHBondContact O-N 3.36Å; F180-A182 PolarHBondContact O-N 2.9Å; F180-K183 PolarHBondContact O-N 2.91Å; F180-K184 WeakPolarHBondContact O-CB 3.33Å; F180-K184 PolarHBondContact O-N 3.41Å; F180-K184 VanDerWaalsContact O-N 3.13Å
181E76.1Confident82.2Confident28 Ų2852.2 Ų52.213%0.13128%0.282CS..Hα-helixtrans-63.7-29.3177.1-176.462.6-145.200112.4R31 I177 K184R31-E181 IonicContact CZ-OE2 2.64Å; R31-E181 IonicContact NH1-OE2 3.93Å; R31-E181 PolarHBondContact NH1-OE2 3.05Å; R31-E181 IonicContact NH2-OE2 2.99Å; I177-E181 WeakPolarHBondContact O-CB 3.25Å; I177-E181 PolarHBondContact O-N 3.42Å; E181-K184 VanDerWaalsContact CD-CE 3.41Å; E181-K184 WeakPolarHBondContact OE1-CE 3.41Å; E181-K184 IonicContact OE1-NZ 3.14Å; E181-K184 PolarHBondContact OE1-NZ 2.95Å; E181-K184 WeakPolarHBondContact OE2-CE 3.3Å; E181-K184 IonicContact OE2-NZ 2.61Å; E181-K184 PolarHBondContact OE2-NZ 3.32Å
182A77.3Confident82Confident67 Ų6752.9 Ų52.955%0.55428%0.284SS*.Hα-helixtrans-76.2-52.4174.100000112.9N178 V179 F180N178-A182 WeakPolarHBondContact O-CB 3.18Å; N178-A182 PolarHBondContact O-N 3.03Å; V179-A182 PolarHBondContact O-N 3.01Å; F180-A182 PolarHBondContact O-N 2.9Å
183K77.9Confident82Confident86 Ų8653.6 Ų53.637%0.37429%0.288SS..Hα-helixtrans-60.2-48.6-177.5-78.8179.1172.2176.10113.1D116 V179 F180 K185 A186 D187D116-K183 IonicContact OD1-NZ 3.19Å; D116-K183 PolarHBondContact OD1-NZ 3.12Å; V179-K183 HydrophobicContact CG1-CD 4.08Å; V179-K183 HydrophobicContact CG1-CG 4.38Å; V179-K183 PolarHBondContact O-N 3.42Å; F180-K183 PolarHBondContact O-N 2.91Å; K183-K185 PolarHBondContact O-N 3.44Å; K183-A186 WeakPolarHBondContact O-CB 3.48Å; K183-A186 PolarHBondContact O-N 2.96Å; K183-D187 PolarHBondContact O-N 3.5Å; K183-D187 VanDerWaalsContact O-N 3.11Å
184K76.4Confident82Confident32 Ų3254.6 Ų54.614%0.13930%0.295CS..Hα-helixtrans-50.5-35.2-169.775.4-178.9-172.6177.20114F112 F180 E181 I188F112-K184 HydrophobicContact CE2-CB 4Å; F112-K184 HydrophobicContact CZ-CB 3.9Å; F180-K184 WeakPolarHBondContact O-CB 3.33Å; F180-K184 PolarHBondContact O-N 3.41Å; F180-K184 VanDerWaalsContact O-N 3.13Å; E181-K184 VanDerWaalsContact CD-CE 3.41Å; E181-K184 WeakPolarHBondContact OE1-CE 3.41Å; E181-K184 IonicContact OE1-NZ 3.14Å; E181-K184 PolarHBondContact OE1-NZ 2.95Å; E181-K184 WeakPolarHBondContact OE2-CE 3.3Å; E181-K184 IonicContact OE2-NZ 2.61Å; E181-K184 PolarHBondContact OE2-NZ 3.32Å; K184-I188 WeakPolarHBondContact O-CB 3.45Å; K184-I188 WeakPolarHBondContact O-CD1 3.48Å; K184-I188 WeakPolarHBondContact O-CG1 3.48Å; K184-I188 PolarHBondContact O-N 2.94Å
185K80Confident82Confident107 Ų10756.5 Ų56.547%0.46530%0.304SS..Hα-helixtrans-74.3-42.8-177.7-67.8-177.2-175.2172.90110.7K183 L189K183-K185 PolarHBondContact O-N 3.44Å; K185-L189 VanDerWaalsContact O-CB 3.28Å; K185-L189 WeakPolarHBondContact O-CB 3.49Å; K185-L189 WeakPolarHBondContact O-CD1 3.31Å; K185-L189 WeakPolarHBondContact O-CG 3.15Å; K185-L189 PolarHBondContact O-N 3.25Å; K185-L189 VanDerWaalsContact O-N 3.09Å
186A82.3Confident82.2Confident60 Ų6058.2 Ų58.250%0.49631%0.313SS..Hα-helixtrans-63.3-47.9177.900000110.8K183 L189 L190K183-A186 WeakPolarHBondContact O-CB 3.48Å; K183-A186 PolarHBondContact O-N 2.96Å; A186-L189 PolarHBondContact O-N 3.08Å; A186-L190 VanDerWaalsContact O-CB 3.22Å; A186-L190 WeakPolarHBondContact O-CB 3.5Å; A186-L190 PolarHBondContact O-N 3.1Å
187D78.6Confident82.4Confident53 Ų5360.8 Ų60.828%0.28333%0.325SS..Hα-helixtrans-67-42.1-175.7-64-44000112.8K183 A191K183-D187 PolarHBondContact O-N 3.5Å; K183-D187 VanDerWaalsContact O-N 3.11Å; D187-A191 WeakPolarHBondContact O-CB 3.42Å; D187-A191 PolarHBondContact O-N 2.92Å
188I78.9Confident82.8Confident76 Ų7660.7 Ų60.739%0.3933%0.326SS..Hα-helixtrans-67.1-43.9177-66.8170.3000110.9L109 K184 A191 M192L109-I188 HydrophobicContact CD2-CG1 4.46Å; K184-I188 WeakPolarHBondContact O-CB 3.45Å; K184-I188 WeakPolarHBondContact O-CD1 3.48Å; K184-I188 WeakPolarHBondContact O-CG1 3.48Å; K184-I188 PolarHBondContact O-N 2.94Å; I188-A191 PolarHBondContact O-N 2.9Å; I188-M192 WeakPolarHBondContact O-CG 3.27Å; I188-M192 PolarHBondContact O-N 3.29Å
189L84.6Confident83.1Confident113 Ų11361.6 Ų61.659%0.59233%0.329SS*.Hα-helixtrans-64.2-43.3177.9-72.5171000111.4K185 A186 A191 M192 L193K185-L189 VanDerWaalsContact O-CB 3.28Å; K185-L189 WeakPolarHBondContact O-CB 3.49Å; K185-L189 WeakPolarHBondContact O-CD1 3.31Å; K185-L189 WeakPolarHBondContact O-CG 3.15Å; K185-L189 PolarHBondContact O-N 3.25Å; K185-L189 VanDerWaalsContact O-N 3.09Å; A186-L189 PolarHBondContact O-N 3.08Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 3.31Å; L189-M192 PolarHBondContact O-N 2.79Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.44Å
190L84.4Confident83.5Confident89 Ų8962.9 Ų62.947%0.46634%0.34SS..Hα-helixtrans-65.8-34.7178.4-175.462.7000112.6K108 A186 S194K108-L190 VanDerWaalsContact NZ-CD2 3.3Å; A186-L190 VanDerWaalsContact O-CB 3.22Å; A186-L190 WeakPolarHBondContact O-CB 3.5Å; A186-L190 PolarHBondContact O-N 3.1Å; L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 3.13Å; L190-S194 VanDerWaalsContact O-N 3.17Å
191A82.7Confident84.1Confident1 Ų168.4 Ų68.41%0.00837%0.366CS..Hα-helixtrans-66.6-43172.500000111.9V105 D187 I188 L189 L195V105-A191 HydrophobicContact CG2-CB 4.41Å; D187-A191 WeakPolarHBondContact O-CB 3.42Å; D187-A191 PolarHBondContact O-N 2.92Å; I188-A191 PolarHBondContact O-N 2.9Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 3.31Å; A191-L195 WeakPolarHBondContact O-CB 3.24Å; A191-L195 PolarHBondContact O-N 3.3Å
192M84.3Confident84.8Confident74 Ų7468.6 Ų68.637%0.36537%0.366SS..Hα-helixtrans-70.7-38.3179.6-68.2-64.9157.800112.9L38 I188 L189 L195 L196L38-M192 HydrophobicContact CD2-CE 4.5Å; I188-M192 WeakPolarHBondContact O-CG 3.27Å; I188-M192 PolarHBondContact O-N 3.29Å; L189-M192 PolarHBondContact O-N 2.79Å; M192-L195 PolarHBondContact O-N 3.13Å; M192-L195 HydrophobicContact SD-CD2 4.27Å; M192-L196 WeakPolarHBondContact O-CG 3.48Å; M192-L196 PolarHBondContact O-N 3.4Å
193L87.8Confident85.6Confident95 Ų9571.9 Ų71.950%0.49737%0.368SS..Hα-helixtrans-61-50.9173.2-73.9169.1000110.9L189 L195 L196 E197L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.44Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.05Å; L193-L196 PolarHBondContact O-N 3.32Å; L193-L196 VanDerWaalsContact O-N 3.09Å; L193-E197 WeakPolarHBondContact O-CB 3.42Å; L193-E197 WeakPolarHBondContact O-CG 3.11Å; L193-E197 PolarHBondContact O-N 3.48Å
194S87.8Confident86.3Confident21 Ų2174.1 Ų74.115%0.14738%0.38CS..Hα-helixtrans-61-35.4178.4178.80000113S104 L190 S198S104-S194 WeakPolarHBondContact CB-OG 3.21Å; S104-S194 PolarHBondContact OG-OG 3Å; L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 3.13Å; L190-S194 VanDerWaalsContact O-N 3.17Å; S194-S198 WeakPolarHBondContact O-CB 3.39Å; S194-S198 PolarHBondContact O-N 3.01Å; S194-S198 PolarHBondContact O-OG 3Å
195L86.3Confident87Confident39 Ų3976 Ų7620%0.20439%0.389CS..Hα-helixtrans-61.9-49.3172.317262000111.7I101 V105 A191 M192 L193 S198 Q199I101-L195 HydrophobicContact CD1-CD1 3.4Å; I101-L195 VanDerWaalsContact CD1-CD1 3.4Å; I101-L195 HydrophobicContact CG1-CD1 3.59Å; I101-L195 HydrophobicContact CG2-CD1 4.38Å; V105-L195 HydrophobicContact CG2-CB 4.03Å; A191-L195 WeakPolarHBondContact O-CB 3.24Å; A191-L195 PolarHBondContact O-N 3.3Å; M192-L195 PolarHBondContact O-N 3.13Å; M192-L195 HydrophobicContact SD-CD2 4.27Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.05Å; L195-S198 PolarHBondContact O-N 2.85Å; L195-Q199 HydrophobicContact CD1-CG 4.21Å; L195-Q199 VanDerWaalsContact O-CG 3.26Å; L195-Q199 WeakPolarHBondContact O-CG 3.35Å; L195-Q199 PolarHBondContact O-N 3.49Å
196L89.6Confident87.5Confident118 Ų11871.3 Ų71.362%0.61837%0.371SS*.Hα-helixtrans-67.5-39.8-178.7-69.9173000112.3M192 L193 Q199 S200M192-L196 WeakPolarHBondContact O-CG 3.48Å; M192-L196 PolarHBondContact O-N 3.4Å; L193-L196 PolarHBondContact O-N 3.32Å; L193-L196 VanDerWaalsContact O-N 3.09Å; L196-Q199 PolarHBondContact O-N 3.48Å; L196-S200 WeakPolarHBondContact O-CB 3.49Å; L196-S200 PolarHBondContact O-N 3.01Å
197E90Very high87.9Confident113 Ų11374.8 Ų74.853%0.52838%0.377SS..Hα-helixtrans-60.5-47.2174.5-72.5167.6169.800111.3L193 Q199 S200 Q201L193-E197 WeakPolarHBondContact O-CB 3.42Å; L193-E197 WeakPolarHBondContact O-CG 3.11Å; L193-E197 PolarHBondContact O-N 3.48Å; E197-Q199 PolarHBondContact O-N 2.68Å; E197-S200 WeakPolarHBondContact O-CB 3.34Å; E197-S200 PolarHBondContact O-N 2.97Å; E197-Q201 WeakPolarHBondContact O-CG 3.45Å; E197-Q201 PolarHBondContact O-N 2.94Å
198S89Confident88.6Confident6 Ų677.6 Ų77.64%0.04239%0.388CS..Hα-helixtrans-61.9-43.7178.2-52.80000111.9V97 T100 S194 L195 Q201 F202V97-S198 WeakPolarHBondContact CG2-O 3.37Å; T100-S198 WeakPolarHBondContact CG2-OG 3.27Å; S194-S198 WeakPolarHBondContact O-CB 3.39Å; S194-S198 PolarHBondContact O-N 3.01Å; S194-S198 PolarHBondContact O-OG 3Å; L195-S198 PolarHBondContact O-N 2.85Å; S198-Q201 PolarHBondContact O-N 3.3Å; S198-F202 PolarHBondContact O-N 3.48Å; S198-F202 VanDerWaalsContact O-N 3.16Å
199Q89.4Confident89.1Confident56 Ų5674.4 Ų74.426%0.26237%0.373SS..Hα-helixtrans-64.3-43.2176.8-71-71.2-28.100111.3L195 L196 E197 Q201 F202 F203L195-Q199 HydrophobicContact CD1-CG 4.21Å; L195-Q199 VanDerWaalsContact O-CG 3.26Å; L195-Q199 WeakPolarHBondContact O-CG 3.35Å; L195-Q199 PolarHBondContact O-N 3.49Å; L196-Q199 PolarHBondContact O-N 3.48Å; E197-Q199 PolarHBondContact O-N 2.68Å; Q199-Q201 PolarHBondContact O-N 2.81Å; Q199-F202 PolarHBondContact O-N 3.46Å; Q199-F203 HydrophobicContact CB-CE2 4.47Å; Q199-F203 WeakPolarHBondContact O-CD2 3.14Å; Q199-F203 PolarHBondContact O-N 3.33Å
200S91.7Very high89.3Confident74 Ų7473.4 Ų73.452%0.51737%0.368SS..Hα-helixtrans-59.6-45.7177.5-169.30000112.1L196 E197 F202 F203 Q204L196-S200 WeakPolarHBondContact O-CB 3.49Å; L196-S200 PolarHBondContact O-N 3.01Å; E197-S200 WeakPolarHBondContact O-CB 3.34Å; E197-S200 PolarHBondContact O-N 2.97Å; S200-F202 PolarHBondContact O-N 3.33Å; S200-F203 PolarHBondContact O-N 3.03Å; S200-Q204 WeakPolarHBondContact O-CB 3.35Å; S200-Q204 PolarHBondContact O-N 3.44Å
201Q90.1Very high89.6Confident129 Ų12972.5 Ų72.560%0.60337%0.369SS*.Hα-helixtrans-59.6-44.2176.6-72.5169.7-1.700111.9E197 S198 Q199 Q204 Q205E197-Q201 WeakPolarHBondContact O-CG 3.45Å; E197-Q201 PolarHBondContact O-N 2.94Å; S198-Q201 PolarHBondContact O-N 3.3Å; Q199-Q201 PolarHBondContact O-N 2.81Å; Q201-Q204 PolarHBondContact O-N 2.84Å; Q201-Q205 WeakPolarHBondContact O-CB 3.17Å; Q201-Q205 PolarHBondContact O-N 3.3Å
202F92.6Very high89.8Confident32 Ų3277.4 Ų77.414%0.1439%0.392CS..Hα-helixtrans-62.8-46.5176.1164.2-101.4000113.4I90 A93 Q94 V97 S198 Q199 S200 Q204 Q205 G206I90-F202 HydrophobicContact CG2-CE2 4.18Å; I90-F202 HydrophobicContact CG2-CZ 4.47Å; A93-F202 HydrophobicContact CB-CD2 4Å; Q94-F202 HydrophobicContact CB-CD2 4.33Å; Q94-F202 HydrophobicContact CB-CE2 3.81Å; Q94-F202 HydrophobicContact CB-CZ 4.42Å; Q94-F202 VanDerWaalsContact OE1-CZ 3.31Å; V97-F202 HydrophobicContact CG2-CB 3.46Å; V97-F202 VanDerWaalsContact CG2-CB 3.46Å; V97-F202 HydrophobicContact CG2-CD2 4.5Å; V97-F202 HydrophobicContact CG2-CG 4.12Å; S198-F202 PolarHBondContact O-N 3.48Å; S198-F202 VanDerWaalsContact O-N 3.16Å; Q199-F202 PolarHBondContact O-N 3.46Å; S200-F202 PolarHBondContact O-N 3.33Å; F202-Q204 VanDerWaalsContact C-N 3.28Å; F202-Q204 PolarHBondContact O-N 3.21Å; F202-Q205 PolarHBondContact O-N 3.31Å; F202-G206 PolarHBondContact O-N 3.08Å
203F92.7Very high90Very high135 Ų13574.7 Ų74.759%0.59238%0.379SS*.Hα-helixtrans-62.8-36.6176.8-75.5-63.9000111.9Q199 S200 H207Q199-F203 HydrophobicContact CB-CE2 4.47Å; Q199-F203 WeakPolarHBondContact O-CD2 3.14Å; Q199-F203 PolarHBondContact O-N 3.33Å; S200-F203 PolarHBondContact O-N 3.03Å; F203-H207 WeakPolarHBondContact O-CB 3.28Å; F203-H207 PolarHBondContact O-N 2.82Å
204Q92.9Very high90.1Very high134 Ų13474.2 Ų74.263%0.62638%0.377SS*.Hα-helixtrans-64.9-49.1175.5-174.7176-6.600112S200 Q201 F202 H207 Q208S200-Q204 WeakPolarHBondContact O-CB 3.35Å; S200-Q204 PolarHBondContact O-N 3.44Å; Q201-Q204 PolarHBondContact O-N 2.84Å; F202-Q204 VanDerWaalsContact C-N 3.28Å; F202-Q204 PolarHBondContact O-N 3.21Å; Q204-H207 PolarHBondContact O-N 3.3Å; Q204-Q208 WeakPolarHBondContact O-CB 3.39Å; Q204-Q208 PolarHBondContact O-N 2.79Å
205Q90.5Very high90.1Very high71 Ų7180.9 Ų80.933%0.33241%0.405SS..Hα-helixtrans-66.7-39179.4-173.5177.65.900112.4A93 Q201 F202 S209A93-Q205 HydrophobicContact CB-CG 4.43Å; A93-Q205 VanDerWaalsContact CB-OE1 3.22Å; Q201-Q205 WeakPolarHBondContact O-CB 3.17Å; Q201-Q205 PolarHBondContact O-N 3.3Å; F202-Q205 PolarHBondContact O-N 3.31Å; Q205-S209 WeakPolarHBondContact O-CB 3.41Å; Q205-S209 PolarHBondContact O-N 3.5Å; Q205-S209 PolarHBondContact O-OG 3.39Å
206G91.1Very high90.2Very high9 Ų980.4 Ų80.49%0.09340%0.401CS..Hα-helixtrans-65.2-45.4174.500000112.2F202 S209 L210F202-G206 PolarHBondContact O-N 3.08Å; G206-S209 PolarHBondContact O-N 3.46Å; G206-L210 WeakPolarHBondContact O-CG 3.39Å; G206-L210 PolarHBondContact O-N 3.44Å
207H91.9Very high90.2Very high133 Ų13377 Ų7762%0.61639%0.386SS*.Hα-helixtrans-62.2-44.8176178.662.1000112.1F203 Q204 S209 L210 S211F203-H207 WeakPolarHBondContact O-CB 3.28Å; F203-H207 PolarHBondContact O-N 2.82Å; Q204-H207 PolarHBondContact O-N 3.3Å; H207-S209 PolarHBondContact O-N 3.21Å; H207-L210 PolarHBondContact O-N 2.97Å; H207-S211 VanDerWaalsContact O-CB 3.32Å; H207-S211 WeakPolarHBondContact O-CB 3.23Å; H207-S211 PolarHBondContact O-N 3.16Å
208Q92.1Very high90.2Very high111 Ų11176.7 Ų76.752%0.51939%0.385SS..Hα-helixtrans-58.7-48175-178.5-179.2-1600111.4Q204 L210 S211 E212Q204-Q208 WeakPolarHBondContact O-CB 3.39Å; Q204-Q208 PolarHBondContact O-N 2.79Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.33Å; Q208-S211 PolarHBondContact O-N 2.97Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.08Å; Q208-E212 PolarHBondContact NE2-OE1 3.33Å; Q208-E212 WeakPolarHBondContact O-CG 3.45Å; Q208-E212 PolarHBondContact O-N 3.05Å
209S88.9Confident90.2Very high9 Ų981.4 Ų81.46%0.06341%0.405CS..Hα-helixtrans-60.9-33.7-178.8-60.10000113.2Q205 G206 H207Q205-S209 WeakPolarHBondContact O-CB 3.41Å; Q205-S209 PolarHBondContact O-N 3.5Å; Q205-S209 PolarHBondContact O-OG 3.39Å; G206-S209 PolarHBondContact O-N 3.46Å; H207-S209 PolarHBondContact O-N 3.21Å
210L88.9Confident90.2Very high92 Ų9280.5 Ų80.548%0.48240%0.401SS..Hα-helixtrans-80.6-36.8175.7-68.1171.6000112.6I90 G206 H207 Q208 E212 L213 D214I90-L210 HydrophobicContact CD1-CD2 4.01Å; I90-L210 HydrophobicContact CD1-CG 4.01Å; G206-L210 WeakPolarHBondContact O-CG 3.39Å; G206-L210 PolarHBondContact O-N 3.44Å; H207-L210 PolarHBondContact O-N 2.97Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.33Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 3.39Å; L210-L213 WeakPolarHBondContact O-CA 3.46Å; L210-L213 VanDerWaalsContact O-CB 3.31Å; L210-L213 WeakPolarHBondContact O-CB 3.43Å; L210-L213 PolarHBondContact O-N 2.98Å; L210-D214 PolarHBondContact O-N 2.99Å; L210-D214 VanDerWaalsContact O-N 3.16Å
211S90.6Very high90.1Very high70 Ų7081.8 Ų81.849%0.4940%0.402SS..Hα-helixtrans-63.4-38.8177.3-172.80000111.9H207 Q208 L213 D214H207-S211 VanDerWaalsContact O-CB 3.32Å; H207-S211 WeakPolarHBondContact O-CB 3.23Å; H207-S211 PolarHBondContact O-N 3.16Å; Q208-S211 PolarHBondContact O-N 2.97Å; S211-L213 PolarHBondContact O-N 3.26Å; S211-D214 PolarHBondContact O-N 3.31Å
212E87.9Confident90.1Very high105 Ų10582.4 Ų82.449%0.49141%0.405SS..Hα-helixtrans-64.9-18.8172.4-69.7173.3-160.400113.5K86 Q208 L210K86-E212 IonicContact NZ-OE2 3.69Å; K86-E212 PolarHBondContact NZ-OE2 3.37Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.08Å; Q208-E212 PolarHBondContact NE2-OE1 3.33Å; Q208-E212 WeakPolarHBondContact O-CG 3.45Å; Q208-E212 PolarHBondContact O-N 3.05Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 3.39Å
213L88.8Confident89.9Confident17 Ų1783.3 Ų83.39%0.08941%0.41CS..Hα-helixtrans-93.5-19.8179.9-166.375.6000112.6F83 K86 L210 S211 Q215 Y216 C217F83-L213 HydrophobicContact CD1-CD1 4.44Å; F83-L213 HydrophobicContact CD1-CD2 3.76Å; F83-L213 HydrophobicContact CE1-CD1 4.42Å; F83-L213 HydrophobicContact CE1-CD2 3.57Å; F83-L213 HydrophobicContact CE1-CG 4.23Å; F83-L213 HydrophobicContact CZ-CD2 4.5Å; K86-L213 HydrophobicContact CG-CD1 4.15Å; L210-L213 WeakPolarHBondContact O-CA 3.46Å; L210-L213 VanDerWaalsContact O-CB 3.31Å; L210-L213 WeakPolarHBondContact O-CB 3.43Å; L210-L213 PolarHBondContact O-N 2.98Å; S211-L213 PolarHBondContact O-N 3.26Å; L213-Q215 PolarHBondContact O-N 2.93Å; L213-Y216 HydrophobicContact CD1-CD1 4.23Å; L213-Y216 WeakPolarHBondContact O-CA 3.29Å; L213-Y216 WeakPolarHBondContact O-CB 3.43Å; L213-Y216 PolarHBondContact O-N 3Å; L213-C217 PolarHBondContact O-N 3.28Å; L213-C217 PolarHBondContact O-SG 3.3Å; L213-C217 VanDerWaalsContact O-SG 3.33Å
214D88.5Confident89.7Confident85 Ų8582.2 Ų82.246%0.45541%0.406SS..Hα-helixtrans-60.3-45.1-171.8-17451.3000112.6L210 S211 Y216 C217 Q218L210-D214 PolarHBondContact O-N 2.99Å; L210-D214 VanDerWaalsContact O-N 3.16Å; S211-D214 PolarHBondContact O-N 3.31Å; D214-Y216 PolarHBondContact O-N 2.98Å; D214-C217 WeakPolarHBondContact O-CB 3.36Å; D214-C217 PolarHBondContact O-N 3.34Å; D214-C217 VanDerWaalsContact O-N 3.12Å; D214-Q218 WeakPolarHBondContact O-CG 3.34Å; D214-Q218 PolarHBondContact O-N 3.02Å; D214-Q218 PolarHBondContact OD2-NE2 3.26Å
215Q87.9Confident89.7Confident160 Ų16079.1 Ų79.175%0.74840%0.397SS*.Hα-helixtrans-58.8-35.5174.6-64-178.53.300112.6L213 K219L213-Q215 PolarHBondContact O-N 2.93Å; Q215-K219 PolarHBondContact O-N 3.43Å
216Y88.9Confident89.7Confident29 Ų2980.6 Ų80.611%0.11440%0.404CS..Hα-helixtrans-74.5-38.6176.7-178.1-109.5000111.7C79 K82 F83 L213 D214 Q218 K219 L220C79-Y216 WeakPolarHBondContact CA-OH 3.33Å; C79-Y216 WeakPolarHBondContact CB-OH 3.31Å; K82-Y216 HydrophobicContact CB-CE1 4.45Å; K82-Y216 HydrophobicContact CD-CD1 4.32Å; K82-Y216 HydrophobicContact CD-CD2 4.31Å; K82-Y216 HydrophobicContact CD-CE1 4.12Å; K82-Y216 HydrophobicContact CD-CE2 4.13Å; K82-Y216 HydrophobicContact CD-CG 4.42Å; F83-Y216 HydrophobicContact CD2-CE1 4.4Å; F83-Y216 HydrophobicContact CE2-CD1 4.28Å; F83-Y216 AromaticContact CE2-CE1 3.87Å; F83-Y216 HydrophobicContact CE2-CE1 3.87Å; L213-Y216 HydrophobicContact CD1-CD1 4.23Å; L213-Y216 WeakPolarHBondContact O-CA 3.29Å; L213-Y216 WeakPolarHBondContact O-CB 3.43Å; L213-Y216 PolarHBondContact O-N 3Å; D214-Y216 PolarHBondContact O-N 2.98Å; Y216-Q218 VanDerWaalsContact C-N 3.34Å; Y216-Q218 PolarHBondContact O-N 3.38Å; Y216-K219 PolarHBondContact O-N 3.07Å; Y216-L220 HydrophobicContact CE1-CD2 4.44Å; Y216-L220 WeakPolarHBondContact O-CB 3.37Å; Y216-L220 PolarHBondContact O-N 3.17Å
217C88.8Confident89.7Confident46 Ų4685 Ų8531%0.31142%0.421SS..Hα-helixtrans-62.4-39.9174.9-66.20000112.1L213 D214 L220 N221L213-C217 PolarHBondContact O-N 3.28Å; L213-C217 PolarHBondContact O-SG 3.3Å; L213-C217 VanDerWaalsContact O-SG 3.33Å; D214-C217 WeakPolarHBondContact O-CB 3.36Å; D214-C217 PolarHBondContact O-N 3.34Å; D214-C217 VanDerWaalsContact O-N 3.12Å; C217-L220 PolarHBondContact O-N 3.18Å; C217-N221 WeakPolarHBondContact O-CB 3.46Å; C217-N221 PolarHBondContact O-N 3.19Å
218Q90.1Very high89.7Confident107 Ų10782.5 Ų82.550%0.542%0.415SS..Hα-helixtrans-62-50.9175.5-68.8174.62400111.2D214 Y216 L220 N221 E222D214-Q218 WeakPolarHBondContact O-CG 3.34Å; D214-Q218 PolarHBondContact O-N 3.02Å; D214-Q218 PolarHBondContact OD2-NE2 3.26Å; Y216-Q218 VanDerWaalsContact C-N 3.34Å; Y216-Q218 PolarHBondContact O-N 3.38Å; Q218-L220 PolarHBondContact O-N 2.83Å; Q218-N221 PolarHBondContact O-N 3.01Å; Q218-N221 VanDerWaalsContact O-N 3.17Å; Q218-E222 PolarHBondContact O-N 3.13Å; Q218-E222 VanDerWaalsContact O-N 3.15Å
219K89.4Confident89.8Confident106 Ų10682.3 Ų82.346%0.46142%0.416SS..Hα-helixtrans-57.2-46.6175.7-176.1177.5-175-84.10112.5Q215 Y216 N221 E222 E223Q215-K219 PolarHBondContact O-N 3.43Å; Y216-K219 PolarHBondContact O-N 3.07Å; K219-N221 VanDerWaalsContact C-N 3.27Å; K219-N221 PolarHBondContact O-N 3.27Å; K219-E222 WeakPolarHBondContact O-CB 3.37Å; K219-E222 PolarHBondContact O-N 2.86Å; K219-E223 WeakPolarHBondContact CE-OE1 3.5Å; K219-E223 IonicContact NZ-OE1 3.33Å; K219-E223 PolarHBondContact NZ-OE1 3.16Å; K219-E223 IonicContact NZ-OE2 3.67Å; K219-E223 WeakPolarHBondContact O-CG 3.47Å; K219-E223 PolarHBondContact O-N 2.81Å
220L89.5Confident90Very high36 Ų3685 Ų8519%0.18843%0.43CS..Hα-helixtrans-63.9-32.7179.6-17666.2000112.2F83 Y216 C217 Q218 H224F83-L220 HydrophobicContact CE2-CD2 3.73Å; F83-L220 HydrophobicContact CZ-CD2 4.16Å; Y216-L220 HydrophobicContact CE1-CD2 4.44Å; Y216-L220 WeakPolarHBondContact O-CB 3.37Å; Y216-L220 PolarHBondContact O-N 3.17Å; C217-L220 PolarHBondContact O-N 3.18Å; Q218-L220 PolarHBondContact O-N 2.83Å; L220-H224 WeakPolarHBondContact O-CB 3.22Å; L220-H224 PolarHBondContact O-N 3.42Å
221N90.4Very high90.1Very high101 Ų10184.2 Ų84.254%0.5443%0.432SS..Hα-helixtrans-71.2-35.2176.5-176.770.2000112.7C217 Q218 K219 T225C217-N221 WeakPolarHBondContact O-CB 3.46Å; C217-N221 PolarHBondContact O-N 3.19Å; Q218-N221 PolarHBondContact O-N 3.01Å; Q218-N221 VanDerWaalsContact O-N 3.17Å; K219-N221 VanDerWaalsContact C-N 3.27Å; K219-N221 PolarHBondContact O-N 3.27Å; N221-T225 WeakPolarHBondContact O-CB 3.42Å; N221-T225 PolarHBondContact O-N 3.29Å; N221-T225 PolarHBondContact O-OG1 3.21Å
222E90.4Very high90.2Very high142 Ų14283.5 Ų83.566%0.66443%0.431SS*.Hα-helixtrans-64.4-48.7170.4-66.2177172.800110.9Q218 K219 T225 Q226Q218-E222 PolarHBondContact O-N 3.13Å; Q218-E222 VanDerWaalsContact O-N 3.15Å; K219-E222 WeakPolarHBondContact O-CB 3.37Å; K219-E222 PolarHBondContact O-N 2.86Å; E222-T225 WeakPolarHBondContact O-CB 3.06Å; E222-T225 PolarHBondContact O-N 3.16Å; E222-Q226 PolarHBondContact O-N 3.47Å
223E88.5Confident90.6Very high52 Ų5286.4 Ų86.424%0.24344%0.437CS..Hα-helixtrans-58.9-48.5176.7-72.5172.6163.700111.4K219 T225 Q226 F227K219-E223 WeakPolarHBondContact CE-OE1 3.5Å; K219-E223 IonicContact NZ-OE1 3.33Å; K219-E223 PolarHBondContact NZ-OE1 3.16Å; K219-E223 IonicContact NZ-OE2 3.67Å; K219-E223 WeakPolarHBondContact O-CG 3.47Å; K219-E223 PolarHBondContact O-N 2.81Å; E223-T225 VanDerWaalsContact C-N 3.32Å; E223-T225 PolarHBondContact O-N 3.49Å; E223-Q226 WeakPolarHBondContact O-CB 3.47Å; E223-Q226 PolarHBondContact O-N 2.95Å; E223-Q226 VanDerWaalsContact O-N 3.08Å; E223-F227 HydrophobicContact CB-CD2 4.49Å; E223-F227 HydrophobicContact CB-CE2 4.09Å; E223-F227 WeakPolarHBondContact O-CD2 3.3Å; E223-F227 PolarHBondContact O-N 3.41Å
224H88.3Confident90.7Very high111 Ų11191.9 Ų91.951%0.51446%0.463SS..Hα-helixtrans-55.4-44.3174.4172.2-97.9000112.4L220 Q226 F227 V228L220-H224 WeakPolarHBondContact O-CB 3.22Å; L220-H224 PolarHBondContact O-N 3.42Å; H224-Q226 VanDerWaalsContact C-N 3.3Å; H224-Q226 PolarHBondContact O-N 3.15Å; H224-F227 PolarHBondContact O-N 2.8Å; H224-V228 WeakPolarHBondContact O-CG2 3.46Å; H224-V228 PolarHBondContact O-N 3.01Å
225T92.7Very high90.8Very high70 Ų7094 Ų9443%0.42947%0.468SS..Hα-helixtrans-61.1-40.9177-58.10000111.1N221 E222 E223 V228 L229N221-T225 WeakPolarHBondContact O-CB 3.42Å; N221-T225 PolarHBondContact O-N 3.29Å; N221-T225 PolarHBondContact O-OG1 3.21Å; E222-T225 WeakPolarHBondContact O-CB 3.06Å; E222-T225 PolarHBondContact O-N 3.16Å; E223-T225 VanDerWaalsContact C-N 3.32Å; E223-T225 PolarHBondContact O-N 3.49Å; T225-V228 PolarHBondContact O-N 3.5Å; T225-L229 WeakPolarHBondContact O-CG 3.2Å; T225-L229 PolarHBondContact O-N 3.34Å; T225-L229 VanDerWaalsContact O-N 3.16Å
226Q90.5Very high91.1Very high101 Ų10193.9 Ų93.947%0.47246%0.46SS..Hα-helixtrans-66.6-39.4175.5-170.459.551.200112.5E222 E223 H224 L229 N230E222-Q226 PolarHBondContact O-N 3.47Å; E223-Q226 WeakPolarHBondContact O-CB 3.47Å; E223-Q226 PolarHBondContact O-N 2.95Å; E223-Q226 VanDerWaalsContact O-N 3.08Å; H224-Q226 VanDerWaalsContact C-N 3.3Å; H224-Q226 PolarHBondContact O-N 3.15Å; Q226-L229 PolarHBondContact O-N 3.14Å; Q226-N230 PolarHBondContact NE2-OD1 3.35Å; Q226-N230 WeakPolarHBondContact O-CB 3.36Å; Q226-N230 PolarHBondContact O-N 2.98Å; Q226-N230 PolarHBondContact O-OD1 3.41Å
227F89.8Confident91.3Very high103 Ų10394.7 Ų94.745%0.45247%0.467SS..Hα-helixtrans-63.7-40.2175-71.2-62.8000112.6M75 E223 H224 L229 N230 S231M75-F227 HydrophobicContact CE-CD2 4.29Å; M75-F227 HydrophobicContact CE-CE2 3.4Å; M75-F227 VanDerWaalsContact CE-CE2 3.4Å; M75-F227 HydrophobicContact CE-CZ 3.74Å; M75-F227 HydrophobicContact SD-CE2 3.56Å; M75-F227 VanDerWaalsContact SD-CE2 3.56Å; M75-F227 HydrophobicContact SD-CZ 3.77Å; E223-F227 HydrophobicContact CB-CD2 4.49Å; E223-F227 HydrophobicContact CB-CE2 4.09Å; E223-F227 WeakPolarHBondContact O-CD2 3.3Å; E223-F227 PolarHBondContact O-N 3.41Å; H224-F227 PolarHBondContact O-N 2.8Å; F227-L229 VanDerWaalsContact C-N 3.34Å; F227-L229 PolarHBondContact O-N 2.98Å; F227-N230 PolarHBondContact O-N 2.86Å; F227-S231 VanDerWaalsContact O-CB 3.23Å; F227-S231 WeakPolarHBondContact O-CB 3.46Å; F227-S231 PolarHBondContact O-N 3.19Å
228V93.3Very high91.5Very high80 Ų8098 Ų9849%0.48548%0.479SS..Hα-helixtrans-61.4-42.9175.1171.50000111.1H224 T225 A232H224-V228 WeakPolarHBondContact O-CG2 3.46Å; H224-V228 PolarHBondContact O-N 3.01Å; T225-V228 PolarHBondContact O-N 3.5Å; V228-A232 VanDerWaalsContact O-CB 3.32Å; V228-A232 WeakPolarHBondContact O-CB 3.46Å; V228-A232 PolarHBondContact O-N 2.88Å
229L94.1Very high91.5Very high106 Ų10698 Ų9856%0.55548%0.479SS*.Hα-helixtrans-65.1-44.1176.1-69.2172.9000112.4T225 Q226 F227 A232 R233T225-L229 WeakPolarHBondContact O-CG 3.2Å; T225-L229 PolarHBondContact O-N 3.34Å; T225-L229 VanDerWaalsContact O-N 3.16Å; Q226-L229 PolarHBondContact O-N 3.14Å; F227-L229 VanDerWaalsContact C-N 3.34Å; F227-L229 PolarHBondContact O-N 2.98Å; L229-A232 PolarHBondContact O-N 3.38Å; L229-R233 WeakPolarHBondContact O-CB 3.17Å; L229-R233 PolarHBondContact O-N 3.05Å
230N92.9Very high91.7Very high66 Ų6698.7 Ų98.735%0.35348%0.484SS..Hα-helixtrans-63.5-47.6177.9-70.2-8.8000111.2Q226 F227 A232 R233 E234Q226-N230 PolarHBondContact NE2-OD1 3.35Å; Q226-N230 WeakPolarHBondContact O-CB 3.36Å; Q226-N230 PolarHBondContact O-N 2.98Å; Q226-N230 PolarHBondContact O-OD1 3.41Å; F227-N230 PolarHBondContact O-N 2.86Å; N230-A232 PolarHBondContact O-N 2.95Å; N230-R233 WeakPolarHBondContact O-CB 3.49Å; N230-R233 PolarHBondContact O-N 3.26Å; N230-R233 VanDerWaalsContact O-N 3.14Å; N230-E234 PolarHBondContact O-N 2.77Å
231S91.5Very high91.7Very high75 Ų75103.8 Ų103.852%0.52450%0.501SS..Hα-helixtrans-60.2-42.9177.2-179.50000112.2F227 R233 E234 K235F227-S231 VanDerWaalsContact O-CB 3.23Å; F227-S231 WeakPolarHBondContact O-CB 3.46Å; F227-S231 PolarHBondContact O-N 3.19Å; S231-R233 VanDerWaalsContact C-N 3.32Å; S231-R233 PolarHBondContact O-N 2.79Å; S231-E234 PolarHBondContact O-N 2.86Å; S231-K235 VanDerWaalsContact O-CB 3.26Å; S231-K235 WeakPolarHBondContact O-CB 3.46Å; S231-K235 PolarHBondContact O-N 3Å
232A92.9Very high91.5Very high56 Ų56105 Ų10546%0.46350%0.503SS..Hα-helixtrans-64.1-35.3175.500000112.8V228 L229 N230 R236V228-A232 VanDerWaalsContact O-CB 3.32Å; V228-A232 WeakPolarHBondContact O-CB 3.46Å; V228-A232 PolarHBondContact O-N 2.88Å; L229-A232 PolarHBondContact O-N 3.38Å; N230-A232 PolarHBondContact O-N 2.95Å; A232-R236 PolarHBondContact O-N 2.86Å
233R94.6Very high91.4Very high166 Ų166100.6 Ų100.663%0.62649%0.49SS*.Hα-helixtrans-69-51.7174179.4-177.1175.4176.81111.6L229 N230 S231 K235 R236 D237L229-R233 WeakPolarHBondContact O-CB 3.17Å; L229-R233 PolarHBondContact O-N 3.05Å; N230-R233 WeakPolarHBondContact O-CB 3.49Å; N230-R233 PolarHBondContact O-N 3.26Å; N230-R233 VanDerWaalsContact O-N 3.14Å; S231-R233 VanDerWaalsContact C-N 3.32Å; S231-R233 PolarHBondContact O-N 2.79Å; R233-K235 VanDerWaalsContact C-N 3.3Å; R233-K235 PolarHBondContact O-N 2.97Å; R233-R236 WeakPolarHBondContact O-CB 3.48Å; R233-R236 PolarHBondContact O-N 3.3Å; R233-R236 VanDerWaalsContact O-N 3.1Å; R233-D237 IonicContact NE-OD2 2.81Å; R233-D237 PolarHBondContact O-N 2.94Å
234E91.2Very high91.2Very high132 Ų132101 Ų10162%0.61750%0.502SS*.Hα-helixtrans-59.4-41.7179.4-74.1-175.9173.600111.9N230 S231 R236 D237 M238N230-E234 PolarHBondContact O-N 2.77Å; S231-E234 PolarHBondContact O-N 2.86Å; E234-R236 PolarHBondContact O-N 3.21Å; E234-D237 PolarHBondContact O-N 3.43Å; E234-M238 WeakPolarHBondContact O-CB 3.43Å; E234-M238 VanDerWaalsContact O-CG 3.24Å; E234-M238 WeakPolarHBondContact O-CG 3.48Å; E234-M238 PolarHBondContact O-N 3.4Å
235K91.9Very high90.9Very high130 Ų130100.6 Ų100.657%0.56550%0.503SS*.Hα-helixtrans-56.6-48.8173178.1175.8172.5178.10111.6S231 R233 M238 E239S231-K235 VanDerWaalsContact O-CB 3.26Å; S231-K235 WeakPolarHBondContact O-CB 3.46Å; S231-K235 PolarHBondContact O-N 3Å; R233-K235 VanDerWaalsContact C-N 3.3Å; R233-K235 PolarHBondContact O-N 2.97Å; K235-M238 PolarHBondContact O-N 3.47Å; K235-E239 WeakPolarHBondContact CE-OE1 3.44Å; K235-E239 HydrophobicContact CG-CG 4.48Å; K235-E239 IonicContact NZ-OE1 2.78Å; K235-E239 WeakPolarHBondContact O-CB 3.16Å; K235-E239 VanDerWaalsContact O-CG 3.31Å; K235-E239 WeakPolarHBondContact O-CG 3.23Å; K235-E239 PolarHBondContact O-N 3.45Å
236R94.6Very high90.2Very high156 Ų156103.7 Ų103.759%0.58951%0.511SS*.Hα-helixtrans-61.2-45.6177.6-177.8-172.8-64.5165.10.9111.7A232 R233 E234 M238 E239 Q240A232-R236 PolarHBondContact O-N 2.86Å; R233-R236 WeakPolarHBondContact O-CB 3.48Å; R233-R236 PolarHBondContact O-N 3.3Å; R233-R236 VanDerWaalsContact O-N 3.1Å; E234-R236 PolarHBondContact O-N 3.21Å; R236-M238 VanDerWaalsContact C-N 3.32Å; R236-M238 PolarHBondContact O-N 2.95Å; R236-E239 PolarHBondContact O-N 2.99Å; R236-Q240 WeakPolarHBondContact O-CG 3.45Å; R236-Q240 PolarHBondContact O-N 3.43Å
237D93.1Very high89.5Confident47 Ų47107.3 Ų107.325%0.25153%0.525SS..Hα-helixtrans-64.9-37.9-179.6-68-5.6000110.8R233 E234 Q240 R241R233-D237 IonicContact NE-OD2 2.81Å; R233-D237 PolarHBondContact O-N 2.94Å; E234-D237 PolarHBondContact O-N 3.43Å; D237-Q240 PolarHBondContact O-N 2.85Å; D237-R241 VanDerWaalsContact O-CG 3.32Å; D237-R241 WeakPolarHBondContact O-CG 3.27Å; D237-R241 PolarHBondContact O-N 2.66Å
238M91Very high88.5Confident114 Ų114109.8 Ų109.856%0.56254%0.536SS*.Hα-helixtrans-68.9-41.8174-72.9-66.9-77.700112.8E234 K235 R236 Q240 R241 H242E234-M238 WeakPolarHBondContact O-CB 3.43Å; E234-M238 VanDerWaalsContact O-CG 3.24Å; E234-M238 WeakPolarHBondContact O-CG 3.48Å; E234-M238 PolarHBondContact O-N 3.4Å; K235-M238 PolarHBondContact O-N 3.47Å; R236-M238 VanDerWaalsContact C-N 3.32Å; R236-M238 PolarHBondContact O-N 2.95Å; M238-Q240 VanDerWaalsContact C-N 3.31Å; M238-Q240 PolarHBondContact O-N 2.88Å; M238-R241 PolarHBondContact O-N 3.37Å; M238-R241 PolarHBondContact SD-NH1 3.01Å; M238-H242 VanDerWaalsContact O-CB 3.31Å; M238-H242 WeakPolarHBondContact O-CB 3.42Å; M238-H242 PolarHBondContact O-N 3.05Å
239E91.9Very high86.7Confident109 Ų109111.4 Ų111.451%0.50954%0.541SS..Hα-helixtrans-60.9-40.1173.5-76171.5174.400111.5K235 R236 A243K235-E239 WeakPolarHBondContact CE-OE1 3.44Å; K235-E239 HydrophobicContact CG-CG 4.48Å; K235-E239 IonicContact NZ-OE1 2.78Å; K235-E239 WeakPolarHBondContact O-CB 3.16Å; K235-E239 VanDerWaalsContact O-CG 3.31Å; K235-E239 WeakPolarHBondContact O-CG 3.23Å; K235-E239 PolarHBondContact O-N 3.45Å; R236-E239 PolarHBondContact O-N 2.99Å; E239-A243 WeakPolarHBondContact O-CB 3.37Å; E239-A243 PolarHBondContact O-N 3.17Å
240Q92.5Very high84.6Confident119 Ų119113.4 Ų113.456%0.55655%0.55SS*.Hα-helixtrans-65.7-46.1174.5-73.3179.112.200112.4R236 D237 M238 H242 A243 A244R236-Q240 WeakPolarHBondContact O-CG 3.45Å; R236-Q240 PolarHBondContact O-N 3.43Å; D237-Q240 PolarHBondContact O-N 2.85Å; M238-Q240 VanDerWaalsContact C-N 3.31Å; M238-Q240 PolarHBondContact O-N 2.88Å; Q240-H242 PolarHBondContact O-N 2.75Å; Q240-A243 PolarHBondContact O-N 2.79Å; Q240-A244 PolarHBondContact O-N 2.9Å
241R89.6Confident82.7Confident144 Ų144114.8 Ų114.854%0.54357%0.565SS.*Hα-helixtrans-59.5-45.8174.7-72.6174-165.4135.25.1111.4D237 M238 A243 A244 I245D237-R241 VanDerWaalsContact O-CG 3.32Å; D237-R241 WeakPolarHBondContact O-CG 3.27Å; D237-R241 PolarHBondContact O-N 2.66Å; M238-R241 PolarHBondContact O-N 3.37Å; M238-R241 PolarHBondContact SD-NH1 3.01Å; R241-A243 PolarHBondContact O-N 2.93Å; R241-A244 PolarHBondContact O-N 2.85Å; R241-I245 WeakPolarHBondContact O-CG1 3.31Å; R241-I245 PolarHBondContact O-N 3.14Å
242H86.3Confident80.7Confident126 Ų126122 Ų12258%0.58358%0.582SS**Hα-helixtrans-60.7-43176.5173.7-104.5000111.8M238 Q240 A244 I245 K246M238-H242 VanDerWaalsContact O-CB 3.31Å; M238-H242 WeakPolarHBondContact O-CB 3.42Å; M238-H242 PolarHBondContact O-N 3.05Å; Q240-H242 PolarHBondContact O-N 2.75Å; H242-A244 VanDerWaalsContact C-N 3.33Å; H242-A244 PolarHBondContact O-N 3.26Å; H242-I245 PolarHBondContact O-N 2.85Å; H242-K246 VanDerWaalsContact O-CB 3.26Å; H242-K246 WeakPolarHBondContact O-CB 3.16Å; H242-K246 PolarHBondContact O-N 3.31Å
243A88.3Confident78.4Confident49 Ų49125.6 Ų125.641%0.40559%0.593SS.*Hα-helixtrans-64.9-33.8174.900000113.1E239 Q240 R241 K247E239-A243 WeakPolarHBondContact O-CB 3.37Å; E239-A243 PolarHBondContact O-N 3.17Å; Q240-A243 PolarHBondContact O-N 2.79Å; R241-A243 PolarHBondContact O-N 2.93Å; A243-K247 WeakPolarHBondContact O-CG 3.04Å; A243-K247 PolarHBondContact O-N 2.9Å
244A84.9Confident76.1Confident60 Ų60123.8 Ų123.850%0.49659%0.592SS.*Hα-helixtrans-70.2-46.2175.200000112.1Q240 R241 H242 K247 K248Q240-A244 PolarHBondContact O-N 2.9Å; R241-A244 PolarHBondContact O-N 2.85Å; H242-A244 VanDerWaalsContact C-N 3.33Å; H242-A244 PolarHBondContact O-N 3.26Å; A244-K247 PolarHBondContact O-N 3Å; A244-K248 PolarHBondContact O-N 3.34Å
245I81.4Confident74.2Confident103 Ų103120.7 Ų120.753%0.52859%0.585SS.*Hα-helixtrans-60.9-46.4175.4-66.3166.5000110.2R241 H242 K247 K248 D249R241-I245 WeakPolarHBondContact O-CG1 3.31Å; R241-I245 PolarHBondContact O-N 3.14Å; H242-I245 PolarHBondContact O-N 2.85Å; I245-K247 PolarHBondContact O-N 3.26Å; I245-K248 WeakPolarHBondContact O-CA 3.32Å; I245-K248 WeakPolarHBondContact O-CB 3.24Å; I245-K248 PolarHBondContact O-N 2.94Å; I245-D249 PolarHBondContact O-N 2.7Å
246K77.3Confident72.6Confident135 Ų135119.5 Ų119.559%0.58759%0.588SS**Hα-helixtrans-60.4-27.8177.2-174.3173.2-179.5177.30113.6H242 M250H242-K246 VanDerWaalsContact O-CB 3.26Å; H242-K246 WeakPolarHBondContact O-CB 3.16Å; H242-K246 PolarHBondContact O-N 3.31Å; K246-M250 WeakPolarHBondContact O-CG 3.49Å
247K76.7Confident70.6Confident177 Ų177114.2 Ų114.277%0.7757%0.572SS**Hα-helixtrans-75.5-27.9171.5-76.7177.4179.5-1770112.8A243 A244 I245A243-K247 WeakPolarHBondContact O-CG 3.04Å; A243-K247 PolarHBondContact O-N 2.9Å; A244-K247 PolarHBondContact O-N 3Å; I245-K247 PolarHBondContact O-N 3.26Å
248K68.6Low68.6Low156 Ų156118.2 Ų118.268%0.67859%0.593SS**Hα-helixtrans-79.3-42178.9-166.1178.9178.4-173.40112.2A244 I245 M250 S251A244-K248 PolarHBondContact O-N 3.34Å; I245-K248 WeakPolarHBondContact O-CA 3.32Å; I245-K248 WeakPolarHBondContact O-CB 3.24Å; I245-K248 PolarHBondContact O-N 2.94Å; K248-M250 PolarHBondContact O-N 3.23Å; K248-S251 PolarHBondContact O-N 3.39Å; K248-S251 PolarHBondContact O-OG 2.91Å
249D55.8Low66.6Low113 Ų113116.4 Ų116.460%0.60458%0.582SS**THydrogen-bonded Turntrans-66.6-16-179-87.6-11.3000114.9I245 S251I245-D249 PolarHBondContact O-N 2.7Å; D249-S251 VanDerWaalsContact C-N 3.31Å; D249-S251 PolarHBondContact O-N 2.74Å
250M49.8Very low64.9Low149 Ų149115.5 Ų115.573%0.73458%0.581SS**THydrogen-bonded Turntrans-79-9.1-179.3-67.3-60.7-53.600113.8K246 K248 Y252K246-M250 WeakPolarHBondContact O-CG 3.49Å; K248-M250 PolarHBondContact O-N 3.23Å; M250-Y252 VanDerWaalsContact C-N 3.32Å; M250-Y252 PolarHBondContact O-N 2.91Å
251S53.1Low62.8Low95 Ų95113.2 Ų113.266%0.66458%0.582SS**SBendtrans-86.178.116361.10000109.5K248 D249 D253K248-S251 PolarHBondContact O-N 3.39Å; K248-S251 PolarHBondContact O-OG 2.91Å; D249-S251 VanDerWaalsContact C-N 3.31Å; D249-S251 PolarHBondContact O-N 2.74Å; S251-D253 VanDerWaalsContact C-N 3.34Å; S251-D253 PolarHBondContact O-N 3.3Å
252Y49.6Very low60.8Low226 Ų226113.5 Ų113.589%0.88660%0.595SS**  trans-77.774.1-170.6-159.1-86.3000112.6M250M250-Y252 VanDerWaalsContact C-N 3.32Å; M250-Y252 PolarHBondContact O-N 2.91Å
253D43.9Very low59.1Low132 Ų132109 Ų10971%0.70658%0.579SS**SBendtrans-172.166.7150.8-170.924000111.6S251S251-D253 VanDerWaalsContact C-N 3.34Å; S251-D253 PolarHBondContact O-N 3.3Å
254E46.2Very low57.1Low127 Ų127111.8 Ų111.859%0.59360%0.602SS**  trans-160.792.8152.3-121.5168.2-15500111.5V256 R347E254-V256 PolarHBondContact O-N 3.28Å; E254-V256 VanDerWaalsContact O-N 3.13Å; E254-R347 IonicContact OE1-CZ 3.22Å; E254-R347 IonicContact OE1-NH1 2.79Å; E254-R347 PolarHBondContact OE1-NH1 2.9Å; E254-R347 IonicContact OE1-NH2 2.93Å; E254-R347 PolarHBondContact OE1-NH2 3.49Å
255S52.7Low55.6Low68 Ų68115.5 Ų115.548%0.47661%0.613SS.*  trans-60.6111.7157.8530000107.8L257S255-L257 PolarHBondContact O-N 3.44Å
256V56.5Low54.4Low105 Ų105112.4 Ų112.464%0.63661%0.607SS**  trans-66.382.5179.3-178.10000109.5E254 D258E254-V256 PolarHBondContact O-N 3.28Å; E254-V256 VanDerWaalsContact O-N 3.13Å; V256-D258 HydrophobicContact CG1-CB 4.19Å; V256-D258 WeakPolarHBondContact CG1-OD2 3.4Å; V256-D258 PolarHBondContact O-N 3.26Å
257L53.5Low53.6Low45 Ų45108 Ų10824%0.23659%0.59CS.*  trans-93.657169.5-69.3-175.5000109.2S255 F259 M269 E348 A351S255-L257 PolarHBondContact O-N 3.44Å; L257-F259 PolarHBondContact O-N 3.03Å; L257-M269 HydrophobicContact CB-CE 3.99Å; L257-M269 HydrophobicContact CD1-CE 3.8Å; L257-M269 HydrophobicContact CD2-CE 3.95Å; L257-M269 HydrophobicContact CG-CE 4.14Å; L257-E348 HydrophobicContact CD1-CB 4.04Å; L257-E348 HydrophobicContact CD1-CG 3.71Å; L257-A351 HydrophobicContact CD1-CB 4.26Å
258D50.9Low53.2Low131 Ų131100.6 Ų100.670%0.70156%0.561SS**  trans-70.398.8172.2-76.7-19.9000108.6V256 N260V256-D258 HydrophobicContact CG1-CB 4.19Å; V256-D258 WeakPolarHBondContact CG1-OD2 3.4Å; V256-D258 PolarHBondContact O-N 3.26Å; D258-N260 PolarHBondContact O-N 2.88Å
259F49.3Very low53.8Low76 Ų7693.6 Ų93.633%0.33353%0.531SS..  trans-61.4106166.7173-99.4000108.5L257 A261 A268 A355 N358L257-F259 PolarHBondContact O-N 3.03Å; F259-A261 HydrophobicContact CE1-CB 3.99Å; F259-A261 HydrophobicContact CZ-CB 4.32Å; F259-A268 WeakPolarHBondContact CD2-O 3.27Å; F259-A268 HydrophobicContact CE2-CB 4.01Å; F259-A355 HydrophobicContact CD2-CB 3.49Å; F259-A355 VanDerWaalsContact CD2-CB 3.49Å; F259-A355 HydrophobicContact CE2-CB 3.85Å; F259-A355 HydrophobicContact CG-CB 4.42Å; F259-N358 HydrophobicContact CE1-CB 4.05Å; F259-N358 HydrophobicContact CE2-CB 4.23Å; F259-N358 HydrophobicContact CZ-CB 3.56Å
260N56.8Low55.2Low90 Ų9092.8 Ų92.848%0.48152%0.524SS..  trans-113.590.7-174.7-167.5-3000109.5D258 D262 A263 A268D258-N260 PolarHBondContact O-N 2.88Å; N260-D262 PolarHBondContact O-N 3.05Å; N260-A263 HydrophobicContact CB-CB 4.14Å; N260-A263 WeakPolarHBondContact O-CB 3.42Å; N260-A263 PolarHBondContact O-N 2.89Å; N260-A268 PolarHBondContact N-O 2.89Å
261A48.4Very low57Low71 Ų7186.1 Ų86.159%0.58749%0.493SS*.THydrogen-bonded Turntrans-58.2-30.1-176.200000113.3F259F259-A261 HydrophobicContact CE1-CB 3.99Å; F259-A261 HydrophobicContact CZ-CB 4.32Å
262D46.7Very low58.7Low150 Ų15087.2 Ų87.280%0.80248%0.483SS*.THydrogen-bonded Turntrans-10722-176.6-62.5-45.4000113.1N260 A264N260-D262 PolarHBondContact O-N 3.05Å; D262-A264 PolarHBondContact O-N 2.9Å
263A50.5Low60.7Low30 Ų3076.4 Ų76.425%0.24844%0.441CS..  trans-61.2121.5175.700000110.9N260 N265 G266N260-A263 HydrophobicContact CB-CB 4.14Å; N260-A263 WeakPolarHBondContact O-CB 3.42Å; N260-A263 PolarHBondContact O-N 2.89Å; A263-N265 PolarHBondContact O-N 3.48Å; A263-G266 PolarHBondContact O-N 3.14Å
264A46.6Very low62.9Low108 Ų10873.7 Ų73.789%0.89342%0.421SS*.THydrogen-bonded Turntrans-56.5-12.2-173.800000116D262D262-A264 PolarHBondContact O-N 2.9Å
265N52.6Low64.9Low138 Ų13869.4 Ų69.474%0.73840%0.401SS*.THydrogen-bonded Turntrans-89.4-5.7175.4-67.5-11.6000113.9A263 I267A263-N265 PolarHBondContact O-N 3.48Å; N265-I267 VanDerWaalsContact C-N 3.28Å; N265-I267 HydrophobicContact CB-CG1 4.26Å; N265-I267 PolarHBondContact O-N 3.34Å
266G56.2Low66.5Low39 Ų3969.1 Ų69.140%0.40239%0.389SS..SBendtrans70.519.9-17700000114.7A263 Q292 K293A263-G266 PolarHBondContact O-N 3.14Å; G266-Q292 WeakPolarHBondContact O-CA 3.35Å; G266-K293 PolarHBondContact O-N 2.99Å
267I61.5Low67.6Low43 Ų4365.1 Ų65.122%0.22137%0.367CS..EExtended strand (participates in β ladder)trans-105.1112.1176-50.9-176.4000107.8N265 E270 I291 Q292N265-I267 VanDerWaalsContact C-N 3.28Å; N265-I267 HydrophobicContact CB-CG1 4.26Å; N265-I267 PolarHBondContact O-N 3.34Å; I267-E270 HydrophobicContact CG2-CB 4.34Å; I267-I291 CarbonylContact C-O 3.55Å; I267-I291 WeakPolarHBondContact CA-O 3.46Å; I267-Q292 HydrophobicContact CG1-CG 4.01Å; I267-Q292 HydrophobicContact CG2-CG 4.32Å
268A68.3Low68.4Low20 Ų2068.4 Ų68.417%0.16539%0.394CS..EExtended strand (participates in β ladder)trans-83.4-27.1-174.900000113.3F259 N260 I291F259-A268 WeakPolarHBondContact CD2-O 3.27Å; F259-A268 HydrophobicContact CE2-CB 4.01Å; N260-A268 PolarHBondContact N-O 2.89Å; A268-I291 HydrophobicContact CB-CB 4.35Å; A268-I291 HydrophobicContact CB-CG2 4.23Å; A268-I291 PolarHBondContact N-O 2.77Å
269M80.7Confident69Low10 Ų1065 Ų655%0.04938%0.376CS..EExtended strand (participates in β ladder)trans-162.5144.6177.1-165.6176.9-16700109.8L257 S290 I291 A351 W352 A355L257-M269 HydrophobicContact CB-CE 3.99Å; L257-M269 HydrophobicContact CD1-CE 3.8Å; L257-M269 HydrophobicContact CD2-CE 3.95Å; L257-M269 HydrophobicContact CG-CE 4.14Å; M269-S290 CarbonylContact O-C 3.58Å; M269-S290 VanDerWaalsContact O-CA 3.26Å; M269-S290 WeakPolarHBondContact O-CA 3.45Å; M269-I291 HydrophobicContact CB-CD1 4.11Å; M269-I291 HydrophobicContact CB-CG1 4.43Å; M269-I291 PolarHBondContact O-N 2.96Å; M269-A351 HydrophobicContact CE-CB 3.89Å; M269-W352 HydrophobicContact CB-CZ3 4.43Å; M269-W352 HydrophobicContact CE-CD2 3.85Å; M269-W352 HydrophobicContact CE-CG 3.85Å; M269-W352 HydrophobicContact CG-CD2 4.49Å; M269-W352 HydrophobicContact CG-CE3 4.39Å; M269-W352 HydrophobicContact CG-CH2 4.17Å; M269-W352 HydrophobicContact CG-CZ2 4.27Å; M269-W352 HydrophobicContact CG-CZ3 4.23Å; M269-W352 HydrophobicContact SD-CD2 3.57Å; M269-W352 VanDerWaalsContact SD-CD2 3.57Å; M269-W352 HydrophobicContact SD-CE3 3.64Å; M269-W352 HydrophobicContact SD-CG 4Å; M269-W352 HydrophobicContact SD-CH2 4.41Å; M269-W352 HydrophobicContact SD-CZ2 4.36Å; M269-W352 HydrophobicContact SD-CZ3 4.08Å; M269-A355 HydrophobicContact CB-CB 4.25Å; M269-A355 HydrophobicContact CG-CB 4.43Å; M269-A355 HydrophobicContact SD-CB 3.33Å; M269-A355 WeakPolarHBondContact SD-CB 3.41Å
270E86.4Confident69.3Low96 Ų9665.6 Ų65.645%0.44940%0.395SS..EExtended strand (participates in β ladder)trans-143156.6169.561.7172.9-179.200112.4I267 W288 F289I267-E270 HydrophobicContact CG2-CB 4.34Å; E270-W288 HydrophobicContact CB-CZ2 3.97Å; E270-W288 HydrophobicContact CG-CZ2 3.7Å; E270-W288 PolarHBondContact OE2-NE1 3.31Å; E270-F289 CarbonylContact C-O 3.5Å; E270-F289 VanDerWaalsContact CA-O 3.23Å; E270-F289 WeakPolarHBondContact CA-O 3.14Å
271G87.2Confident69.6Low8 Ų869.3 Ų69.38%0.08241%0.407CS..EExtended strand (participates in β ladder)trans161.7173.8-178.300000113.9F289G271-F289 PolarHBondContact N-O 2.93Å; G271-F289 PolarHBondContact O-N 2.73Å
272Y88.5Confident71.1Confident118 Ų11872.2 Ų72.246%0.46341%0.406SS..EExtended strand (participates in β ladder)trans-80.8134.8176.6-73.9-73.9000112R286 R287 W288Y272-R286 HydrophobicContact CD1-CG 4.17Å; Y272-R287 WeakPolarHBondContact CA-O 3.28Å; Y272-W288 HydrophobicContact CD1-CB 4.48Å; Y272-W288 AromaticContact CD1-CE3 4Å; Y272-W288 HydrophobicContact CD1-CE3 4Å; Y272-W288 AromaticContact CD2-CE3 3.55Å; Y272-W288 HydrophobicContact CD2-CE3 3.55Å; Y272-W288 AromaticContact CD2-CZ3 3.55Å; Y272-W288 HydrophobicContact CD2-CZ3 3.55Å; Y272-W288 HydrophobicContact CE1-CB 4.21Å; Y272-W288 AromaticContact CE1-CE3 3.92Å; Y272-W288 HydrophobicContact CE1-CE3 3.92Å; Y272-W288 AromaticContact CE2-CE3 3.44Å; Y272-W288 HydrophobicContact CE2-CE3 3.44Å; Y272-W288 VanDerWaalsContact CE2-CE3 3.44Å; Y272-W288 AromaticContact CE2-CZ3 3.49Å; Y272-W288 HydrophobicContact CE2-CZ3 3.49Å; Y272-W288 VanDerWaalsContact CE2-CZ3 3.49Å; Y272-W288 AromaticContact CG-CE3 3.81Å; Y272-W288 HydrophobicContact CG-CE3 3.81Å; Y272-W288 HydrophobicContact CG-CZ3 4.22Å; Y272-W288 AromaticContact CZ-CE3 3.63Å
273L90.4Very high72.8Confident0 Ų068.5 Ų68.50%039%0.389CS..EExtended strand (participates in β ladder)trans-135155.7166-64.3172.1000110.4R286 R287 F289 F330 L341 A343 W352L273-R286 WeakPolarHBondContact O-CA 3.33Å; L273-R287 PolarHBondContact N-O 3.15Å; L273-R287 PolarHBondContact O-N 3.03Å; L273-F289 HydrophobicContact CB-CD2 3.59Å; L273-F289 HydrophobicContact CB-CE2 3.82Å; L273-F289 HydrophobicContact CB-CG 4.31Å; L273-F289 HydrophobicContact CD1-CB 4.21Å; L273-F289 HydrophobicContact CD1-CD1 4.49Å; L273-F289 HydrophobicContact CD1-CD2 4.17Å; L273-F289 HydrophobicContact CD1-CG 4.05Å; L273-F289 HydrophobicContact CG-CD2 4.22Å; L273-F330 HydrophobicContact CD1-CE1 4.34Å; L273-F330 HydrophobicContact CD1-CZ 3.84Å; L273-F330 HydrophobicContact CD2-CE1 4.26Å; L273-L341 HydrophobicContact CD1-CD1 4.13Å; L273-A343 HydrophobicContact CD2-CB 3.78Å; L273-W352 HydrophobicContact CD1-CD2 3.78Å; L273-W352 HydrophobicContact CD1-CE3 3.99Å; L273-W352 HydrophobicContact CD1-CG 4.21Å; L273-W352 HydrophobicContact CD1-CH2 4.39Å; L273-W352 HydrophobicContact CD1-CZ2 4.2Å; L273-W352 HydrophobicContact CD1-CZ3 4.29Å; L273-W352 HydrophobicContact CD2-CD2 4.37Å; L273-W352 HydrophobicContact CD2-CG 4.16Å; L273-W352 HydrophobicContact CG-CD2 4.32Å; L273-W352 HydrophobicContact CG-CZ2 4.25Å
274Y90.1Very high74.5Confident74 Ų7469.4 Ų69.429%0.2939%0.386SS..EExtended strand (participates in β ladder)trans-90124.5168-75.8-92.8000110.4W284 S285 R286 L341 Q342 D344Y274-W284 WeakPolarHBondContact O-CZ3 3.31Å; Y274-S285 WeakPolarHBondContact CA-O 3.4Å; Y274-R286 HydrophobicContact CD1-CB 3.94Å; Y274-R286 HydrophobicContact CD1-CG 4.38Å; Y274-R286 HydrophobicContact CD2-CG 4.1Å; Y274-R286 HydrophobicContact CE1-CB 3.66Å; Y274-R286 HydrophobicContact CE1-CG 4.12Å; Y274-R286 HydrophobicContact CE2-CB 4.3Å; Y274-R286 HydrophobicContact CE2-CG 3.82Å; Y274-R286 HydrophobicContact CG-CB 4.38Å; Y274-R286 HydrophobicContact CG-CG 4.37Å; Y274-L341 CarbonylContact O-C 3.56Å; Y274-L341 VanDerWaalsContact O-CA 3.31Å; Y274-L341 WeakPolarHBondContact O-CA 3.14Å; Y274-Q342 PolarHBondContact N-O 2.94Å; Y274-Q342 PolarHBondContact O-N 2.77Å; Y274-D344 VanDerWaalsContact CE2-OD1 3.31Å; Y274-D344 WeakPolarHBondContact CE2-OD1 3.47Å
275K89.4Confident76.5Confident38 Ų3865.8 Ų65.817%0.16535%0.354CS..EExtended strand (participates in β ladder)trans-101.2131172.9177.8169.7178.2-680110.6W284 S285 F289 L341K275-W284 WeakPolarHBondContact O-CA 3.49Å; K275-S285 PolarHBondContact N-O 3.23Å; K275-S285 PolarHBondContact O-N 3.22Å; K275-F289 HydrophobicContact CB-CE2 4.37Å; K275-F289 HydrophobicContact CB-CZ 4.02Å; K275-F289 HydrophobicContact CD-CZ 4.18Å; K275-L341 HydrophobicContact CB-CD2 3.88Å; K275-L341 HydrophobicContact CG-CD2 4.1Å
276R87Confident78.2Confident62 Ų6264.5 Ų64.523%0.23434%0.339CS..EExtended strand (participates in β ladder)trans-73.8130.2165.2-165.8172.965.8-170.8-4.5109.1K282 W284 N324 L340R276-K282 HydrophobicContact CG-CB 4.4Å; R276-W284 HydrophobicContact CB-CD2 3.95Å; R276-W284 HydrophobicContact CB-CE3 3.99Å; R276-W284 HydrophobicContact CB-CH2 4.09Å; R276-W284 HydrophobicContact CB-CZ2 3.98Å; R276-W284 HydrophobicContact CB-CZ3 4.05Å; R276-W284 HydrophobicContact CG-CD2 4.34Å; R276-W284 HydrophobicContact CG-CZ2 4.28Å; R276-N324 PolarHBondContact NH1-OD1 3.26Å; R276-L340 HydrophobicContact CB-CB 4.07Å; R276-L340 HydrophobicContact CB-CD2 4.25Å; R276-L340 HydrophobicContact CB-CG 4.48Å; R276-L340 PolarHBondContact N-O 3.39Å
277A79.2Confident79.8Confident20 Ų2066 Ų6617%0.16533%0.333CS..PPolyproline II helixtrans-70.7142.6169.300000109.9N279 T283A277-N279 WeakPolarHBondContact CB-OD1 3.34Å; A277-N279 PolarHBondContact O-N 2.68Å; A277-T283 WeakPolarHBondContact CB-O 3.4Å; A277-T283 PolarHBondContact N-O 2.9Å
278S70.5Confident81.1Confident115 Ų11567.5 Ų67.580%0.80434%0.336SS*.SBendtrans-79.79.1175.5-45.20000112.8
279N63.5Low82.1Confident60 Ų6066.6 Ų66.632%0.32133%0.328SS..SBendtrans-77.9162.6177.363.712.6000111.3A277 F281 K282 T283A277-N279 WeakPolarHBondContact CB-OD1 3.34Å; A277-N279 PolarHBondContact O-N 2.68Å; N279-F281 PolarHBondContact O-N 2.94Å; N279-F281 VanDerWaalsContact O-N 3.16Å; N279-K282 PolarHBondContact O-N 3.22Å; N279-K282 PolarHBondContact OD1-N 2.99Å; N279-T283 PolarHBondContact ND2-OG1 3.08Å; N279-T283 PolarHBondContact OD1-N 3.12Å
280A54Low82.5Confident88 Ų8866.1 Ų66.173%0.72733%0.326SS*.THydrogen-bonded Turntrans-57.3-32179.600000113K282A280-K282 PolarHBondContact O-N 2.71Å
281F64.7Low82.4Confident167 Ų16761.6 Ų61.673%0.73231%0.305SS*.THydrogen-bonded Turntrans-73.4-8.1177.8-58.5-75.4000114.4N279 T283N279-F281 PolarHBondContact O-N 2.94Å; N279-F281 VanDerWaalsContact O-N 3.16Å; F281-T283 HydrophobicContact CB-CG2 3.94Å; F281-T283 PolarHBondContact O-N 2.89Å
282K78.2Confident82Confident132 Ų13264 Ų6457%0.57431%0.313SS*.  trans4636.8177.2-65.4-179.4-178.41770113.8R276 N279 A280R276-K282 HydrophobicContact CG-CB 4.4Å; N279-K282 PolarHBondContact O-N 3.22Å; N279-K282 PolarHBondContact OD1-N 2.99Å; A280-K282 PolarHBondContact O-N 2.71Å
283T83.3Confident81.1Confident73 Ų7366.8 Ų66.845%0.44833%0.328SS..  trans-69.3139.6-172.249.20000111.8A277 N279 F281A277-T283 WeakPolarHBondContact CB-O 3.4Å; A277-T283 PolarHBondContact N-O 2.9Å; N279-T283 PolarHBondContact ND2-OG1 3.08Å; N279-T283 PolarHBondContact OD1-N 3.12Å; F281-T283 HydrophobicContact CB-CG2 3.94Å; F281-T283 PolarHBondContact O-N 2.89Å
284W86.5Confident80.3Confident49 Ų4968.1 Ų68.119%0.18634%0.335CS..EExtended strand (participates in β ladder)trans-97.7135.3177.2-71.384000110.8Y274 K275 R276 L340 Q342Y274-W284 WeakPolarHBondContact O-CZ3 3.31Å; K275-W284 WeakPolarHBondContact O-CA 3.49Å; R276-W284 HydrophobicContact CB-CD2 3.95Å; R276-W284 HydrophobicContact CB-CE3 3.99Å; R276-W284 HydrophobicContact CB-CH2 4.09Å; R276-W284 HydrophobicContact CB-CZ2 3.98Å; R276-W284 HydrophobicContact CB-CZ3 4.05Å; R276-W284 HydrophobicContact CG-CD2 4.34Å; R276-W284 HydrophobicContact CG-CZ2 4.28Å; W284-L340 HydrophobicContact CH2-CD2 3.41Å; W284-L340 VanDerWaalsContact CH2-CD2 3.41Å; W284-L340 HydrophobicContact CH2-CG 3.63Å; W284-L340 HydrophobicContact CZ2-CD2 3.51Å; W284-L340 HydrophobicContact CZ2-CG 4.25Å; W284-L340 HydrophobicContact CZ3-CD2 4.5Å; W284-L340 HydrophobicContact CZ3-CG 4.4Å; W284-Q342 HydrophobicContact CE3-CB 4.18Å; W284-Q342 HydrophobicContact CH2-CB 3.91Å; W284-Q342 HydrophobicContact CZ3-CB 3.44Å; W284-Q342 VanDerWaalsContact CZ3-CB 3.44Å
285S87.7Confident79.9Confident32 Ų3268 Ų6822%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-137128.4-178.167.10000112.2Y274 K275Y274-S285 WeakPolarHBondContact CA-O 3.4Å; K275-S285 PolarHBondContact N-O 3.23Å; K275-S285 PolarHBondContact O-N 3.22Å
286R89.9Confident79.7Confident110 Ų11066.2 Ų66.242%0.41533%0.33SS..EExtended strand (participates in β ladder)trans-73.3133.4175.5-150.8-179.4-166-159.21.3109.9Y272 L273 Y274 D344Y272-R286 HydrophobicContact CD1-CG 4.17Å; L273-R286 WeakPolarHBondContact O-CA 3.33Å; Y274-R286 HydrophobicContact CD1-CB 3.94Å; Y274-R286 HydrophobicContact CD1-CG 4.38Å; Y274-R286 HydrophobicContact CD2-CG 4.1Å; Y274-R286 HydrophobicContact CE1-CB 3.66Å; Y274-R286 HydrophobicContact CE1-CG 4.12Å; Y274-R286 HydrophobicContact CE2-CB 4.3Å; Y274-R286 HydrophobicContact CE2-CG 3.82Å; Y274-R286 HydrophobicContact CG-CB 4.38Å; Y274-R286 HydrophobicContact CG-CG 4.37Å; R286-D344 IonicContact CZ-OD2 3.23Å; R286-D344 IonicContact NE-OD2 2.85Å; R286-D344 IonicContact NH2-OD2 2.82Å; R286-D344 PolarHBondContact NH2-OD2 3.01Å
287R88.4Confident79.8Confident72 Ų7263.6 Ų63.627%0.27232%0.32SS..EExtended strand (participates in β ladder)trans-142.2154.6178.9-57.9-65.8174.9-117.58.1109.6Y272 L273 F289 Y298Y272-R287 WeakPolarHBondContact CA-O 3.28Å; L273-R287 PolarHBondContact N-O 3.15Å; L273-R287 PolarHBondContact O-N 3.03Å; R287-F289 HydrophobicContact CB-CD2 4.12Å; R287-F289 HydrophobicContact CB-CE2 3.77Å; R287-Y298 HydrophobicContact CB-CD2 3.61Å; R287-Y298 HydrophobicContact CB-CE2 4.44Å; R287-Y298 HydrophobicContact CB-CG 4.11Å; R287-Y298 HydrophobicContact CG-CD2 3.49Å; R287-Y298 VanDerWaalsContact CG-CD2 3.49Å; R287-Y298 HydrophobicContact CG-CE2 3.83Å; R287-Y298 HydrophobicContact CG-CG 4.27Å
288W89.6Confident80.2Confident74 Ų7464.1 Ų64.128%0.2832%0.318SS..EExtended strand (participates in β ladder)trans-81.7115169.6-173.1-104.7000108.1E270 Y272 Y298 Q299E270-W288 HydrophobicContact CB-CZ2 3.97Å; E270-W288 HydrophobicContact CG-CZ2 3.7Å; E270-W288 PolarHBondContact OE2-NE1 3.31Å; Y272-W288 HydrophobicContact CD1-CB 4.48Å; Y272-W288 AromaticContact CD1-CE3 4Å; Y272-W288 HydrophobicContact CD1-CE3 4Å; Y272-W288 AromaticContact CD2-CE3 3.55Å; Y272-W288 HydrophobicContact CD2-CE3 3.55Å; Y272-W288 AromaticContact CD2-CZ3 3.55Å; Y272-W288 HydrophobicContact CD2-CZ3 3.55Å; Y272-W288 HydrophobicContact CE1-CB 4.21Å; Y272-W288 AromaticContact CE1-CE3 3.92Å; Y272-W288 HydrophobicContact CE1-CE3 3.92Å; Y272-W288 AromaticContact CE2-CE3 3.44Å; Y272-W288 HydrophobicContact CE2-CE3 3.44Å; Y272-W288 VanDerWaalsContact CE2-CE3 3.44Å; Y272-W288 AromaticContact CE2-CZ3 3.49Å; Y272-W288 HydrophobicContact CE2-CZ3 3.49Å; Y272-W288 VanDerWaalsContact CE2-CZ3 3.49Å; Y272-W288 AromaticContact CG-CE3 3.81Å; Y272-W288 HydrophobicContact CG-CE3 3.81Å; Y272-W288 HydrophobicContact CG-CZ3 4.22Å; Y272-W288 AromaticContact CZ-CE3 3.63Å; W288-Y298 CarbonylContact O-C 3.6Å; W288-Y298 WeakPolarHBondContact O-CA 3.5Å; W288-Y298 WeakPolarHBondContact O-CB 3.33Å; W288-Q299 PolarHBondContact N-O 3.32Å; W288-Q299 VanDerWaalsContact N-O 3.13Å; W288-Q299 PolarHBondContact O-N 3.4Å
289F89.6Confident80.9Confident0 Ų060.5 Ų60.50%029%0.289CS..EExtended strand (participates in β ladder)trans-96.7148.4176-81.1-101.7000110.3E270 G271 L273 K275 R287 L296 V297 Y298 V309 L341 W352E270-F289 CarbonylContact C-O 3.5Å; E270-F289 VanDerWaalsContact CA-O 3.23Å; E270-F289 WeakPolarHBondContact CA-O 3.14Å; G271-F289 PolarHBondContact N-O 2.93Å; G271-F289 PolarHBondContact O-N 2.73Å; L273-F289 HydrophobicContact CB-CD2 3.59Å; L273-F289 HydrophobicContact CB-CE2 3.82Å; L273-F289 HydrophobicContact CB-CG 4.31Å; L273-F289 HydrophobicContact CD1-CB 4.21Å; L273-F289 HydrophobicContact CD1-CD1 4.49Å; L273-F289 HydrophobicContact CD1-CD2 4.17Å; L273-F289 HydrophobicContact CD1-CG 4.05Å; L273-F289 HydrophobicContact CG-CD2 4.22Å; K275-F289 HydrophobicContact CB-CE2 4.37Å; K275-F289 HydrophobicContact CB-CZ 4.02Å; K275-F289 HydrophobicContact CD-CZ 4.18Å; R287-F289 HydrophobicContact CB-CD2 4.12Å; R287-F289 HydrophobicContact CB-CE2 3.77Å; F289-L296 HydrophobicContact CD1-CD1 4.02Å; F289-L296 HydrophobicContact CD1-CG 4.17Å; F289-V297 WeakPolarHBondContact CA-O 3.36Å; F289-Y298 HydrophobicContact CZ-CG 4.46Å; F289-V309 HydrophobicContact CE1-CG2 3.95Å; F289-L341 HydrophobicContact CE1-CD1 4.12Å; F289-L341 HydrophobicContact CE1-CD2 3.76Å; F289-L341 HydrophobicContact CE2-CD2 4.15Å; F289-L341 HydrophobicContact CZ-CD2 3.39Å; F289-W352 HydrophobicContact CB-CH2 3.72Å; F289-W352 HydrophobicContact CB-CZ2 4.36Å; F289-W352 HydrophobicContact CB-CZ3 4.22Å
290S87.6Confident81.8Confident1 Ų164 Ų641%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-143.9146.5166.156.70000111M269 Q292 V297M269-S290 CarbonylContact O-C 3.58Å; M269-S290 VanDerWaalsContact O-CA 3.26Å; M269-S290 WeakPolarHBondContact O-CA 3.45Å; S290-Q292 PolarHBondContact OG-NE2 2.98Å; S290-V297 PolarHBondContact N-O 2.97Å; S290-V297 PolarHBondContact O-N 2.98Å; S290-V297 VanDerWaalsContact OG-CG2 3.25Å; S290-V297 WeakPolarHBondContact OG-CG2 3.33Å
291I85.9Confident82.9Confident1 Ų167.3 Ų67.31%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-97.9112.5171.9-56.4176.9000106.8I267 A268 M269 Q295 L296 L313 W352 A355 V356I267-I291 CarbonylContact C-O 3.55Å; I267-I291 WeakPolarHBondContact CA-O 3.46Å; A268-I291 HydrophobicContact CB-CB 4.35Å; A268-I291 HydrophobicContact CB-CG2 4.23Å; A268-I291 PolarHBondContact N-O 2.77Å; M269-I291 HydrophobicContact CB-CD1 4.11Å; M269-I291 HydrophobicContact CB-CG1 4.43Å; M269-I291 PolarHBondContact O-N 2.96Å; I291-Q295 WeakPolarHBondContact CA-O 3.43Å; I291-L296 HydrophobicContact CG1-CD1 3.91Å; I291-L313 HydrophobicContact CG2-CD1 4.05Å; I291-W352 HydrophobicContact CD1-CE3 4.35Å; I291-W352 HydrophobicContact CD1-CZ3 4.14Å; I291-W352 HydrophobicContact CG1-CZ3 4.03Å; I291-A355 HydrophobicContact CD1-CB 4.08Å; I291-V356 HydrophobicContact CD1-CG2 3.83Å
292Q78.2Confident82.6Confident57 Ų5768.3 Ų68.327%0.26630%0.303SS..EExtended strand (participates in β ladder)trans-131.7128.2-177.5-48.1-167.710.100109.3G266 I267 S290 N294 Q295 V297G266-Q292 WeakPolarHBondContact O-CA 3.35Å; I267-Q292 HydrophobicContact CG1-CG 4.01Å; I267-Q292 HydrophobicContact CG2-CG 4.32Å; S290-Q292 PolarHBondContact OG-NE2 2.98Å; Q292-N294 VanDerWaalsContact C-N 3.33Å; Q292-N294 PolarHBondContact O-N 2.95Å; Q292-Q295 PolarHBondContact N-O 2.8Å; Q292-Q295 WeakPolarHBondContact O-CA 3.38Å; Q292-Q295 WeakPolarHBondContact O-CB 3.38Å; Q292-Q295 PolarHBondContact O-N 2.85Å; Q292-V297 HydrophobicContact CG-CG2 4.3Å
293K68.7Low82Confident177 Ų17770.6 Ų70.677%0.7731%0.313SS*.THydrogen-bonded Turntrans45.750.2172.8-56-179.9-177.9178.30114.4G266 Q295G266-K293 PolarHBondContact O-N 2.99Å; K293-Q295 PolarHBondContact O-N 2.88Å
294N74.1Confident81.8Confident29 Ų2970 Ų7016%0.15531%0.307CS..THydrogen-bonded Turntrans62.120-178.3-52.3-26.7000115.5Q292 L313 A363 E366Q292-N294 VanDerWaalsContact C-N 3.33Å; Q292-N294 PolarHBondContact O-N 2.95Å; N294-L313 WeakPolarHBondContact O-CB 3.37Å; N294-L313 WeakPolarHBondContact O-CG 3.31Å; N294-L313 PolarHBondContact O-N 3.29Å; N294-A363 HydrophobicContact CB-CB 3.98Å; N294-A363 VanDerWaalsContact CG-CB 3.42Å; N294-A363 VanDerWaalsContact ND2-CB 3.34Å; N294-A363 WeakPolarHBondContact ND2-CB 3.47Å; N294-E366 PolarHBondContact ND2-OE2 2.92Å
295Q82.2Confident81Confident71 Ų7172.6 Ų72.633%0.33232%0.321SS..EExtended strand (participates in β ladder)trans-115.7147.5171.7-53.8-165.5-33.200111.1I291 Q292 K293 V297 V310 E311I291-Q295 WeakPolarHBondContact CA-O 3.43Å; Q292-Q295 PolarHBondContact N-O 2.8Å; Q292-Q295 WeakPolarHBondContact O-CA 3.38Å; Q292-Q295 WeakPolarHBondContact O-CB 3.38Å; Q292-Q295 PolarHBondContact O-N 2.85Å; K293-Q295 PolarHBondContact O-N 2.88Å; Q295-V297 HydrophobicContact CB-CG1 4.11Å; Q295-V310 WeakPolarHBondContact CA-O 3.39Å; Q295-E311 WeakPolarHBondContact CG-O 3.41Å; Q295-E311 PolarHBondContact NE2-O 2.93Å; Q295-E311 VanDerWaalsContact NE2-O 3.08Å
296L85.8Confident80.7Confident1 Ų173.6 Ų73.61%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-103.2114.6169.1-177.166.8000108.6F289 I291 V309 V310 L313 V332 L341F289-L296 HydrophobicContact CD1-CD1 4.02Å; F289-L296 HydrophobicContact CD1-CG 4.17Å; I291-L296 HydrophobicContact CG1-CD1 3.91Å; L296-V309 HydrophobicContact CG-CB 4.47Å; L296-V309 WeakPolarHBondContact O-CA 3.26Å; L296-V309 WeakPolarHBondContact O-CB 3.49Å; L296-V309 PolarHBondContact O-N 3.38Å; L296-V310 HydrophobicContact CB-CB 4.05Å; L296-V310 HydrophobicContact CB-CG2 4.34Å; L296-V310 PolarHBondContact N-O 3.23Å; L296-V310 PolarHBondContact O-N 2.86Å; L296-L313 HydrophobicContact CB-CD2 4.46Å; L296-V332 HydrophobicContact CD2-CG2 4.37Å; L296-L341 HydrophobicContact CD2-CD1 4.07Å
297V88.5Confident80.3Confident6 Ų671.2 Ų71.24%0.03633%0.325CS..EExtended strand (participates in β ladder)trans-123.1156.8-175.7-50.20000111.3F289 S290 Q292 Q295 P306 T307 V308F289-V297 WeakPolarHBondContact CA-O 3.36Å; S290-V297 PolarHBondContact N-O 2.97Å; S290-V297 PolarHBondContact O-N 2.98Å; S290-V297 VanDerWaalsContact OG-CG2 3.25Å; S290-V297 WeakPolarHBondContact OG-CG2 3.33Å; Q292-V297 HydrophobicContact CG-CG2 4.3Å; Q295-V297 HydrophobicContact CB-CG1 4.11Å; V297-P306 HydrophobicContact CB-CB 3.81Å; V297-P306 HydrophobicContact CG1-CB 4.46Å; V297-P306 HydrophobicContact CG2-CB 3.66Å; V297-T307 CarbonylContact C-O 3.44Å; V297-T307 WeakPolarHBondContact CA-O 3.4Å; V297-V308 HydrophobicContact CG1-CB 4.42Å; V297-V308 HydrophobicContact CG1-CG2 3.99Å
298Y87.9Confident80Confident32 Ų3270.4 Ų70.413%0.12533%0.328CS..EExtended strand (participates in β ladder)trans-136.6152.7172.179.5-85.8000114R287 W288 F289 K300 T307 V309R287-Y298 HydrophobicContact CB-CD2 3.61Å; R287-Y298 HydrophobicContact CB-CE2 4.44Å; R287-Y298 HydrophobicContact CB-CG 4.11Å; R287-Y298 HydrophobicContact CG-CD2 3.49Å; R287-Y298 VanDerWaalsContact CG-CD2 3.49Å; R287-Y298 HydrophobicContact CG-CE2 3.83Å; R287-Y298 HydrophobicContact CG-CG 4.27Å; W288-Y298 CarbonylContact O-C 3.6Å; W288-Y298 WeakPolarHBondContact O-CA 3.5Å; W288-Y298 WeakPolarHBondContact O-CB 3.33Å; F289-Y298 HydrophobicContact CZ-CG 4.46Å; Y298-K300 HydrophobicContact CE2-CG 4.13Å; Y298-T307 HydrophobicContact CD1-CG2 4.26Å; Y298-T307 WeakPolarHBondContact CD1-O 3.42Å; Y298-T307 VanDerWaalsContact CE1-CB 3.47Å; Y298-T307 HydrophobicContact CE1-CG2 3.46Å; Y298-T307 VanDerWaalsContact CE1-CG2 3.46Å; Y298-T307 PolarHBondContact N-O 3.11Å; Y298-T307 PolarHBondContact O-N 3.12Å; Y298-V309 HydrophobicContact CD1-CG2 3.42Å; Y298-V309 VanDerWaalsContact CD1-CG2 3.42Å; Y298-V309 HydrophobicContact CE1-CG2 3.98Å; Y298-V309 HydrophobicContact CG-CG2 4.5Å
299Q85.6Confident79.5Confident39 Ų3967.5 Ų67.518%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-117.3149.3174.2-68.9172.4-43.300110.6W288 D304 P306W288-Q299 PolarHBondContact N-O 3.32Å; W288-Q299 VanDerWaalsContact N-O 3.13Å; W288-Q299 PolarHBondContact O-N 3.4Å; Q299-D304 PolarHBondContact NE2-O 3.34Å; Q299-P306 HydrophobicContact CG-CB 4.3Å; Q299-P306 HydrophobicContact CG-CG 4.34Å
300K82.2Confident79Confident132 Ų13267.8 Ų67.857%0.57432%0.32SS*.SBendtrans-91.9-39.2175.7-56.9171.5-176168.60111Y298 D304Y298-K300 HydrophobicContact CE2-CG 4.13Å; K300-D304 WeakPolarHBondContact CB-OD2 3.45Å
301K75.4Confident78Confident159 Ų15973.6 Ų73.669%0.69135%0.347SS*.SBendtrans-137.1163.7174.6-61.1179.5-179.91770110.8K303 D304K301-K303 PolarHBondContact O-N 2.81Å; K301-D304 WeakPolarHBondContact CB-OD2 3.34Å; K301-D304 PolarHBondContact N-OD2 2.93Å; K301-D304 VanDerWaalsContact O-CB 3.31Å; K301-D304 WeakPolarHBondContact O-CB 3.23Å; K301-D304 PolarHBondContact O-N 2.91Å; K301-D304 VanDerWaalsContact O-N 3.08Å
302F58.8Low77.5Confident188 Ų18875.5 Ų75.583%0.82536%0.358SS*.THydrogen-bonded Turntrans-60.3133.7173.9-175.5-113.2000110.9D304F302-D304 VanDerWaalsContact C-N 3.28Å; F302-D304 PolarHBondContact O-N 3.47Å
303K66.8Low77.6Confident179 Ų17972.8 Ų72.878%0.77835%0.345SS*.THydrogen-bonded Turntrans68.24.9-169.8-54.8-175.9178.6-176.40116.9K301K301-K303 PolarHBondContact O-N 2.81Å
304D78.8Confident77.9Confident61 Ų6169.1 Ų69.133%0.32633%0.326SS..  trans-66.1149.9166.2-73.8-11.7000110.6Q299 K300 K301 F302Q299-D304 PolarHBondContact NE2-O 3.34Å; K300-D304 WeakPolarHBondContact CB-OD2 3.45Å; K301-D304 WeakPolarHBondContact CB-OD2 3.34Å; K301-D304 PolarHBondContact N-OD2 2.93Å; K301-D304 VanDerWaalsContact O-CB 3.31Å; K301-D304 WeakPolarHBondContact O-CB 3.23Å; K301-D304 PolarHBondContact O-N 2.91Å; K301-D304 VanDerWaalsContact O-N 3.08Å; F302-D304 VanDerWaalsContact C-N 3.28Å; F302-D304 PolarHBondContact O-N 3.47Å
305Q69.9Low78Confident103 Ų10373.3 Ų73.348%0.48135%0.348SS..  trans-62.6127.5173.7-68.3-112.310.800110.4T307 I393Q305-T307 PolarHBondContact O-N 3.46Å; Q305-T307 VanDerWaalsContact O-N 3.11Å; Q305-I393 WeakPolarHBondContact CG-O 3.39Å; Q305-I393 PolarHBondContact NE2-O 2.7Å
306P80.1Confident77.9Confident53 Ų5370.2 Ų70.234%0.34433%0.334SS..  trans-62.2115.3179.7-17.728.9000110.8V297 Q299 V308V297-P306 HydrophobicContact CB-CB 3.81Å; V297-P306 HydrophobicContact CG1-CB 4.46Å; V297-P306 HydrophobicContact CG2-CB 3.66Å; Q299-P306 HydrophobicContact CG-CB 4.3Å; Q299-P306 HydrophobicContact CG-CG 4.34Å; P306-V308 PolarHBondContact O-N 2.87Å
307T82.3Confident77.7Confident60 Ų6073.6 Ų73.637%0.36836%0.355SS..EExtended strand (participates in β ladder)trans-78.6115.2175.9-55.10000109.1V297 Y298 Q305 V309V297-T307 CarbonylContact C-O 3.44Å; V297-T307 WeakPolarHBondContact CA-O 3.4Å; Y298-T307 HydrophobicContact CD1-CG2 4.26Å; Y298-T307 WeakPolarHBondContact CD1-O 3.42Å; Y298-T307 VanDerWaalsContact CE1-CB 3.47Å; Y298-T307 HydrophobicContact CE1-CG2 3.46Å; Y298-T307 VanDerWaalsContact CE1-CG2 3.46Å; Y298-T307 PolarHBondContact N-O 3.11Å; Y298-T307 PolarHBondContact O-N 3.12Å; Q305-T307 PolarHBondContact O-N 3.46Å; Q305-T307 VanDerWaalsContact O-N 3.11Å; T307-V309 PolarHBondContact O-N 3.18Å
308V82Confident77.7Confident55 Ų5574 Ų7433%0.33336%0.357SS..EExtended strand (participates in β ladder)trans-68.6119.7178.5-173.90000110.2V297 P306 V310 E311V297-V308 HydrophobicContact CG1-CB 4.42Å; V297-V308 HydrophobicContact CG1-CG2 3.99Å; P306-V308 PolarHBondContact O-N 2.87Å; V308-V310 VanDerWaalsContact CG1-C 3.46Å; V308-V310 WeakPolarHBondContact CG1-O 3.24Å; V308-E311 HydrophobicContact CG1-CB 4.31Å; V308-E311 HydrophobicContact CG1-CG 3.78Å
309V79Confident77.5Confident13 Ų1378.5 Ų78.58%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-86.3-41.4172.4-172.20000110.2F289 L296 Y298 T307 C339F289-V309 HydrophobicContact CE1-CG2 3.95Å; L296-V309 HydrophobicContact CG-CB 4.47Å; L296-V309 WeakPolarHBondContact O-CA 3.26Å; L296-V309 WeakPolarHBondContact O-CB 3.49Å; L296-V309 PolarHBondContact O-N 3.38Å; Y298-V309 HydrophobicContact CD1-CG2 3.42Å; Y298-V309 VanDerWaalsContact CD1-CG2 3.42Å; Y298-V309 HydrophobicContact CE1-CG2 3.98Å; Y298-V309 HydrophobicContact CG-CG2 4.5Å; T307-V309 PolarHBondContact O-N 3.18Å; V309-C339 HydrophobicContact CG1-CB 3.85Å; V309-C339 VanDerWaalsContact CG1-SG 3.54Å
310V79Confident77.5Confident7 Ų780.4 Ų80.44%0.04239%0.393CS..EExtended strand (participates in β ladder)trans-134.7114.4-178.8176.80000108Q295 L296 V308 D312 L313 C316 V332Q295-V310 WeakPolarHBondContact CA-O 3.39Å; L296-V310 HydrophobicContact CB-CB 4.05Å; L296-V310 HydrophobicContact CB-CG2 4.34Å; L296-V310 PolarHBondContact N-O 3.23Å; L296-V310 PolarHBondContact O-N 2.86Å; V308-V310 VanDerWaalsContact CG1-C 3.46Å; V308-V310 WeakPolarHBondContact CG1-O 3.24Å; V310-D312 WeakPolarHBondContact CG1-O 3.49Å; V310-L313 HydrophobicContact CG1-CD2 4.1Å; V310-L313 HydrophobicContact CG1-CG 4.14Å; V310-C316 WeakPolarHBondContact CG1-SG 3.35Å; V310-V332 HydrophobicContact CG2-CG1 4.05Å
311E67Low77.3Confident122 Ų12275.1 Ų75.157%0.5737%0.373SS*.SBendtrans-73.6-26.9-179.5-67.5145.5-133.100112.9Q295 V308 K337Q295-E311 WeakPolarHBondContact CG-O 3.41Å; Q295-E311 PolarHBondContact NE2-O 2.93Å; Q295-E311 VanDerWaalsContact NE2-O 3.08Å; V308-E311 HydrophobicContact CG1-CB 4.31Å; V308-E311 HydrophobicContact CG1-CG 3.78Å; E311-K337 IonicContact OE1-NZ 2.77Å; E311-K337 PolarHBondContact OE1-NZ 2.93Å
312D75.9Confident77Confident42 Ų4274 Ų7423%0.22538%0.379CS..  trans-147.1107.8177.2-171.8-9.5000110.6V310 R314 C316V310-D312 WeakPolarHBondContact CG1-O 3.49Å; D312-R314 VanDerWaalsContact CG-NE 3.3Å; D312-R314 PolarHBondContact O-N 3.19Å; D312-R314 WeakPolarHBondContact OD1-CB 3.47Å; D312-R314 WeakPolarHBondContact OD1-CG 3.45Å; D312-R314 IonicContact OD1-CZ 3.93Å; D312-R314 PolarHBondContact OD1-N 3.41Å; D312-R314 IonicContact OD1-NE 3.95Å; D312-R314 PolarHBondContact OD1-NE 3.35Å; D312-R314 IonicContact OD1-NH2 2.98Å; D312-R314 IonicContact OD2-CZ 2.84Å; D312-R314 VanDerWaalsContact OD2-CZ 3.25Å; D312-R314 IonicContact OD2-NE 3.69Å; D312-R314 PolarHBondContact OD2-NE 3.03Å; D312-R314 IonicContact OD2-NH2 3.62Å; D312-R314 PolarHBondContact OD2-NH2 2.81Å; D312-C316 PolarHBondContact O-SG 3.19Å; D312-C316 VanDerWaalsContact O-SG 3.39Å
313L79.1Confident77Confident0 Ų074.2 Ų74.20%038%0.383CS..G310 helixtrans-64.5-24.6176.9-81.1164.1000112.6I291 N294 L296 V310 L315 C316 V356 S359 I360I291-L313 HydrophobicContact CG2-CD1 4.05Å; N294-L313 WeakPolarHBondContact O-CB 3.37Å; N294-L313 WeakPolarHBondContact O-CG 3.31Å; N294-L313 PolarHBondContact O-N 3.29Å; L296-L313 HydrophobicContact CB-CD2 4.46Å; V310-L313 HydrophobicContact CG1-CD2 4.1Å; V310-L313 HydrophobicContact CG1-CG 4.14Å; L313-L315 PolarHBondContact O-N 3.16Å; L313-L315 VanDerWaalsContact O-N 3.14Å; L313-C316 VanDerWaalsContact O-CB 3.28Å; L313-C316 WeakPolarHBondContact O-CB 3.41Å; L313-C316 PolarHBondContact O-N 3.23Å; L313-V356 HydrophobicContact CD2-CG1 4.12Å; L313-S359 WeakPolarHBondContact CD1-OG 3.22Å; L313-I360 HydrophobicContact CB-CG1 4.15Å; L313-I360 HydrophobicContact CD2-CG1 4.5Å; L313-I360 WeakPolarHBondContact O-CG1 3.41Å
314R76.5Confident76.9Confident100 Ų10067.7 Ų67.738%0.37736%0.357SS..G310 helixtrans-57.6-33.7-177.4-63.5173.3-65.1-155.40.4113.5D312 C316 A363 F364D312-R314 VanDerWaalsContact CG-NE 3.3Å; D312-R314 PolarHBondContact O-N 3.19Å; D312-R314 WeakPolarHBondContact OD1-CB 3.47Å; D312-R314 WeakPolarHBondContact OD1-CG 3.45Å; D312-R314 IonicContact OD1-CZ 3.93Å; D312-R314 PolarHBondContact OD1-N 3.41Å; D312-R314 IonicContact OD1-NE 3.95Å; D312-R314 PolarHBondContact OD1-NE 3.35Å; D312-R314 IonicContact OD1-NH2 2.98Å; D312-R314 IonicContact OD2-CZ 2.84Å; D312-R314 VanDerWaalsContact OD2-CZ 3.25Å; D312-R314 IonicContact OD2-NE 3.69Å; D312-R314 PolarHBondContact OD2-NE 3.03Å; D312-R314 IonicContact OD2-NH2 3.62Å; D312-R314 PolarHBondContact OD2-NH2 2.81Å; R314-C316 VanDerWaalsContact C-N 3.27Å; R314-A363 WeakPolarHBondContact CD-O 3.28Å; R314-A363 HydrophobicContact CG-CB 3.27Å; R314-F364 HydrophobicContact CB-CZ 4.48Å; R314-F364 WeakPolarHBondContact O-CE2 3.11Å; R314-F364 WeakPolarHBondContact O-CZ 3.38Å
315L74.4Confident76.1Confident116 Ų11674.5 Ų74.561%0.60739%0.386SS*.G310 helixtrans-89.25.9-179.2-57.9-178.6000112.8L313 P335L313-L315 PolarHBondContact O-N 3.16Å; L313-L315 VanDerWaalsContact O-N 3.14Å; L315-P335 HydrophobicContact CB-CG 3.94Å; L315-P335 WeakPolarHBondContact O-CD 3.46Å
316C80.4Confident76.6Confident6 Ų675 Ų754%0.04138%0.384CS..  trans-103.3153.2-174.3-610000112.8V310 D312 L313 R314 V332 V333 S334V310-C316 WeakPolarHBondContact CG1-SG 3.35Å; D312-C316 PolarHBondContact O-SG 3.19Å; D312-C316 VanDerWaalsContact O-SG 3.39Å; L313-C316 VanDerWaalsContact O-CB 3.28Å; L313-C316 WeakPolarHBondContact O-CB 3.41Å; L313-C316 PolarHBondContact O-N 3.23Å; R314-C316 VanDerWaalsContact C-N 3.27Å; C316-V332 HydrophobicContact CB-CG1 4.16Å; C316-V333 CarbonylContact C-O 3.56Å; C316-V333 WeakPolarHBondContact CA-O 3.47Å; C316-S334 WeakPolarHBondContact SG-CB 3.44Å
317T82.8Confident76.8Confident73 Ų7381.8 Ų81.845%0.44840%0.403SS..EExtended strand (participates in β ladder)trans-122.5139.3165.361.30000109.3V333T317-V333 PolarHBondContact N-O 2.89Å; T317-V333 PolarHBondContact O-N 2.87Å
318V87.6Confident77Confident13 Ų1381.3 Ų81.38%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-108.9132.8174.861.80000110.1F330 E331 V332 I353 V356 Q357 I360V318-F330 HydrophobicContact CG2-CD2 3.81Å; V318-F330 HydrophobicContact CG2-CE2 4.45Å; V318-E331 VanDerWaalsContact CA-O 3.29Å; V318-E331 WeakPolarHBondContact CA-O 3.16Å; V318-V332 HydrophobicContact CB-CG2 4.46Å; V318-V332 HydrophobicContact CG2-CG2 4.11Å; V318-I353 HydrophobicContact CG1-CG2 4.24Å; V318-I353 HydrophobicContact CG2-CG1 4.14Å; V318-I353 HydrophobicContact CG2-CG2 4.39Å; V318-V356 HydrophobicContact CB-CG1 3.79Å; V318-V356 HydrophobicContact CG1-CB 4.2Å; V318-V356 HydrophobicContact CG1-CG1 3.74Å; V318-V356 HydrophobicContact CG2-CG1 4.28Å; V318-Q357 HydrophobicContact CG1-CG 3.44Å; V318-Q357 VanDerWaalsContact CG1-CG 3.44Å; V318-I360 HydrophobicContact CG1-CD1 4.44Å
319K84.6Confident77.3Confident128 Ų12878.8 Ų78.856%0.55738%0.38SS*.EExtended strand (participates in β ladder)trans-138.9141.1-178.2-61.7-178.8-175.91770110.5F330 E331K319-F330 CarbonylContact O-C 3.57Å; K319-F330 WeakPolarHBondContact O-CA 3.03Å; K319-E331 PolarHBondContact N-O 3.15Å; K319-E331 PolarHBondContact O-N 3.33Å
320P85.4Confident77.8Confident79 Ų7978.1 Ų78.151%0.51338%0.376SS..EExtended strand (participates in β ladder)trans-63.5138.1166.428.5-33.3000109.7I353P320-I353 HydrophobicContact CB-CD1 4.34Å
321S77.8Confident78.2Confident20 Ų2080.1 Ų80.114%0.1439%0.385CS..  trans-93.4108.7-179.3-168.90000109.7C329 E331S321-C329 PolarHBondContact N-O 3.11Å; S321-E331 WeakPolarHBondContact CB-OE1 3.39Å; S321-E331 PolarHBondContact OG-OE1 2.86Å
322T67.9Low79.2Confident136 Ų13674.3 Ų74.383%0.83436%0.358SS*.SBendtrans-94.5-10.9179.751.40000113.8
323E60.5Low79.6Confident192 Ų19274.7 Ų74.790%0.89736%0.362SS*.SBendtrans-94.1-1.6-175-61.9-174.6167.100113.8
324N64.2Low79.6Confident43 Ų4375.5 Ų75.523%0.2337%0.368CS..SBendtrans-115.1135.8-168.1-169.883.3000111.7R276 R326R276-N324 PolarHBondContact NH1-OD1 3.26Å; N324-R326 PolarHBondContact O-N 2.98Å
325E61.4Low79.6Confident203 Ų20375.9 Ų75.995%0.94938%0.383SS*.SBendtrans-61.9-10.8-168.1-60.9178159.500116.6
326R81.3Confident79.4Confident114 Ų11475 Ų7543%0.4339%0.386SS..SBendtrans-101.2133.8-176.6-70.1-169.3179.6-157.7-1111.9N324 C329N324-R326 PolarHBondContact O-N 2.98Å; R326-C329 VanDerWaalsContact CB-SG 3.6Å; R326-C329 PolarHBondContact O-SG 3.03Å
327R83.6Confident79.2Confident195 Ų19579.4 Ų79.474%0.73641%0.405SS*.THydrogen-bonded Turntrans-58.8152.2173.1-60.1-174.6-64.7170.62.5111.5C329 Q342R327-C329 VanDerWaalsContact C-N 3.3Å; R327-C329 PolarHBondContact O-N 2.78Å; R327-Q342 PolarHBondContact O-NE2 2.92Å
328F86.8Confident79Confident51 Ų5178.9 Ų78.922%0.22440%0.404CS..THydrogen-bonded Turntrans60.429.7172.7-40.8-45.2000115.8Q342 A343 E346 Q349F328-Q342 WeakPolarHBondContact O-CA 3.26Å; F328-A343 PolarHBondContact O-N 3.44Å; F328-A343 VanDerWaalsContact O-N 3.15Å; F328-E346 HydrophobicContact CD1-CB 3.96Å; F328-E346 HydrophobicContact CE1-CB 3.69Å; F328-E346 HydrophobicContact CZ-CB 4.42Å; F328-Q349 HydrophobicContact CB-CB 4.3Å
329C88Confident78.9Confident1 Ų178.7 Ų78.71%0.00740%0.403CS..EExtended strand (participates in β ladder)trans-87.6140.8177.7-67.30000113S321 R326 R327 L340 L341 Q349S321-C329 PolarHBondContact N-O 3.11Å; R326-C329 VanDerWaalsContact CB-SG 3.6Å; R326-C329 PolarHBondContact O-SG 3.03Å; R327-C329 VanDerWaalsContact C-N 3.3Å; R327-C329 PolarHBondContact O-N 2.78Å; C329-L340 HydrophobicContact CB-CD1 4.09Å; C329-L341 CarbonylContact C-O 3.59Å; C329-L341 VanDerWaalsContact CA-O 3.27Å; C329-L341 WeakPolarHBondContact CA-O 3.43Å; C329-Q349 PolarHBondContact O-NE2 3.41Å
330F88.9Confident79.1Confident0 Ų072.9 Ų72.90%038%0.378CS..EExtended strand (participates in β ladder)trans-141.4148.2173.468.3-84.7000111.3L273 V318 K319 V332 L341 Q349 W352 I353L273-F330 HydrophobicContact CD1-CE1 4.34Å; L273-F330 HydrophobicContact CD1-CZ 3.84Å; L273-F330 HydrophobicContact CD2-CE1 4.26Å; V318-F330 HydrophobicContact CG2-CD2 3.81Å; V318-F330 HydrophobicContact CG2-CE2 4.45Å; K319-F330 CarbonylContact O-C 3.57Å; K319-F330 WeakPolarHBondContact O-CA 3.03Å; F330-V332 HydrophobicContact CD2-CG2 4.29Å; F330-V332 HydrophobicContact CE2-CG2 4.15Å; F330-L341 HydrophobicContact CD1-CB 4.23Å; F330-L341 HydrophobicContact CD2-CB 4.37Å; F330-L341 HydrophobicContact CE1-CB 3.81Å; F330-L341 HydrophobicContact CE2-CB 3.97Å; F330-L341 HydrophobicContact CE2-CD1 3.79Å; F330-L341 HydrophobicContact CE2-CG 4.43Å; F330-L341 HydrophobicContact CZ-CB 3.68Å; F330-L341 HydrophobicContact CZ-CD1 3.85Å; F330-L341 HydrophobicContact CZ-CG 4.4Å; F330-L341 PolarHBondContact N-O 2.79Å; F330-L341 PolarHBondContact O-N 2.76Å; F330-Q349 HydrophobicContact CD1-CG 4.1Å; F330-W352 HydrophobicContact CE1-CB 4.15Å; F330-W352 HydrophobicContact CZ-CB 3.8Å; F330-W352 HydrophobicContact CZ-CG 4.41Å; F330-I353 HydrophobicContact CB-CD1 3.87Å; F330-I353 HydrophobicContact CB-CG1 3.91Å; F330-I353 HydrophobicContact CD2-CG1 4.11Å; F330-I353 HydrophobicContact CG-CD1 4.4Å; F330-I353 HydrophobicContact CG-CG1 3.97Å
331E88.1Confident79.3Confident48 Ų4869.1 Ų69.122%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-110.5131.4-175.7-34.8-148.4154.400109.7V318 K319 S321 V333 C339 L340V318-E331 VanDerWaalsContact CA-O 3.29Å; V318-E331 WeakPolarHBondContact CA-O 3.16Å; K319-E331 PolarHBondContact N-O 3.15Å; K319-E331 PolarHBondContact O-N 3.33Å; S321-E331 WeakPolarHBondContact CB-OE1 3.39Å; S321-E331 PolarHBondContact OG-OE1 2.86Å; E331-V333 HydrophobicContact CB-CG2 4.23Å; E331-C339 WeakPolarHBondContact CA-O 3.43Å; E331-L340 HydrophobicContact CB-CD1 4.49Å; E331-L340 HydrophobicContact CG-CD1 3.65Å; E331-L340 WeakPolarHBondContact OE1-CD1 3.18Å
332V88.1Confident79.9Confident0 Ų069.7 Ų69.70%035%0.354CS..EExtended strand (participates in β ladder)trans-105.1109.5167-175.40000107.1L296 V310 C316 V318 F330 C339 L341L296-V332 HydrophobicContact CD2-CG2 4.37Å; V310-V332 HydrophobicContact CG2-CG1 4.05Å; C316-V332 HydrophobicContact CB-CG1 4.16Å; V318-V332 HydrophobicContact CB-CG2 4.46Å; V318-V332 HydrophobicContact CG2-CG2 4.11Å; F330-V332 HydrophobicContact CD2-CG2 4.29Å; F330-V332 HydrophobicContact CE2-CG2 4.15Å; V332-C339 PolarHBondContact N-O 3.22Å; V332-C339 PolarHBondContact O-N 3.43Å; V332-L341 HydrophobicContact CG2-CD1 4.33Å
333V84.1Confident81Confident50 Ų5063.2 Ų63.230%0.30331%0.314SS..EExtended strand (participates in β ladder)trans-104.3113.3-174.4-172.10000109.2C316 T317 E331C316-V333 CarbonylContact C-O 3.56Å; C316-V333 WeakPolarHBondContact CA-O 3.47Å; T317-V333 PolarHBondContact N-O 2.89Å; T317-V333 PolarHBondContact O-N 2.87Å; E331-V333 HydrophobicContact CB-CG2 4.23Å
334S79.4Confident82.2Confident18 Ų1857.2 Ų57.213%0.12629%0.288CS..  trans-102.5169.8168.291.40000110.8C316 S336 K337C316-S334 WeakPolarHBondContact SG-CB 3.44Å; S334-S336 PolarHBondContact O-N 2.9Å; S334-S336 VanDerWaalsContact O-N 3.14Å; S334-S336 PolarHBondContact OG-N 2.82Å; S334-S336 PolarHBondContact OG-OG 3.13Å; S334-K337 PolarHBondContact N-O 3.28Å; S334-K337 PolarHBondContact OG-N 3Å; S334-K337 PolarHBondContact OG-O 2.93Å; S334-K337 VanDerWaalsContact OG-O 3.13Å
335P75.7Confident83.2Confident108 Ų10857.1 Ų57.170%0.70129%0.291SS*.SBendtrans-62.8-19.8179.3-22.935.1000114.5L315L315-P335 HydrophobicContact CB-CG 3.94Å; L315-P335 WeakPolarHBondContact O-CD 3.46Å
336S70.9Confident84.3Confident96 Ų9654.1 Ų54.167%0.67128%0.277SS*.SBendtrans-118.7-20-17659.10000114.2S334S334-S336 PolarHBondContact O-N 2.9Å; S334-S336 VanDerWaalsContact O-N 3.14Å; S334-S336 PolarHBondContact OG-N 2.82Å; S334-S336 PolarHBondContact OG-OG 3.13Å
337K75.4Confident84.3Confident99 Ų9955.9 Ų55.943%0.4328%0.284SS..  trans-142.9131-173.1-64.4169.8-175.3162.30110.1E311 S334E311-K337 IonicContact OE1-NZ 2.77Å; E311-K337 PolarHBondContact OE1-NZ 2.93Å; S334-K337 PolarHBondContact N-O 3.28Å; S334-K337 PolarHBondContact OG-N 3Å; S334-K337 PolarHBondContact OG-O 2.93Å; S334-K337 VanDerWaalsContact OG-O 3.13Å
338C80.3Confident84.4Confident63 Ų6348.2 Ų48.243%0.42626%0.256SS..EExtended strand (participates in β ladder)trans-104.4121.7163.8-177.20000109.1
339C85.1Confident84.4Confident9 Ų947 Ų476%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-110.2119178.4-168.60000110.3V309 E331 V332V309-C339 HydrophobicContact CG1-CB 3.85Å; V309-C339 VanDerWaalsContact CG1-SG 3.54Å; E331-C339 WeakPolarHBondContact CA-O 3.43Å; V332-C339 PolarHBondContact N-O 3.22Å; V332-C339 PolarHBondContact O-N 3.43Å
340L88.1Confident84.3Confident5 Ų552.1 Ų52.13%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-92.4123.2171.7-175.670.9000110.1R276 W284 C329 E331R276-L340 HydrophobicContact CB-CB 4.07Å; R276-L340 HydrophobicContact CB-CD2 4.25Å; R276-L340 HydrophobicContact CB-CG 4.48Å; R276-L340 PolarHBondContact N-O 3.39Å; W284-L340 HydrophobicContact CH2-CD2 3.41Å; W284-L340 VanDerWaalsContact CH2-CD2 3.41Å; W284-L340 HydrophobicContact CH2-CG 3.63Å; W284-L340 HydrophobicContact CZ2-CD2 3.51Å; W284-L340 HydrophobicContact CZ2-CG 4.25Å; W284-L340 HydrophobicContact CZ3-CD2 4.5Å; W284-L340 HydrophobicContact CZ3-CG 4.4Å; C329-L340 HydrophobicContact CB-CD1 4.09Å; E331-L340 HydrophobicContact CB-CD1 4.49Å; E331-L340 HydrophobicContact CG-CD1 3.65Å; E331-L340 WeakPolarHBondContact OE1-CD1 3.18Å
341L90.1Very high84.2Confident1 Ų153.6 Ų53.61%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-118.4155.2179-59178.3000110.1L273 Y274 K275 F289 L296 C329 F330 V332L273-L341 HydrophobicContact CD1-CD1 4.13Å; Y274-L341 CarbonylContact O-C 3.56Å; Y274-L341 VanDerWaalsContact O-CA 3.31Å; Y274-L341 WeakPolarHBondContact O-CA 3.14Å; K275-L341 HydrophobicContact CB-CD2 3.88Å; K275-L341 HydrophobicContact CG-CD2 4.1Å; F289-L341 HydrophobicContact CE1-CD1 4.12Å; F289-L341 HydrophobicContact CE1-CD2 3.76Å; F289-L341 HydrophobicContact CE2-CD2 4.15Å; F289-L341 HydrophobicContact CZ-CD2 3.39Å; L296-L341 HydrophobicContact CD2-CD1 4.07Å; C329-L341 CarbonylContact C-O 3.59Å; C329-L341 VanDerWaalsContact CA-O 3.27Å; C329-L341 WeakPolarHBondContact CA-O 3.43Å; F330-L341 HydrophobicContact CD1-CB 4.23Å; F330-L341 HydrophobicContact CD2-CB 4.37Å; F330-L341 HydrophobicContact CE1-CB 3.81Å; F330-L341 HydrophobicContact CE2-CB 3.97Å; F330-L341 HydrophobicContact CE2-CD1 3.79Å; F330-L341 HydrophobicContact CE2-CG 4.43Å; F330-L341 HydrophobicContact CZ-CB 3.68Å; F330-L341 HydrophobicContact CZ-CD1 3.85Å; F330-L341 HydrophobicContact CZ-CG 4.4Å; F330-L341 PolarHBondContact N-O 2.79Å; F330-L341 PolarHBondContact O-N 2.76Å; V332-L341 HydrophobicContact CG2-CD1 4.33Å
342Q89.9Confident84.1Confident31 Ų3151.4 Ų51.415%0.14528%0.277CS..EExtended strand (participates in β ladder)trans-136.7129.6176.8170.9-174.93.800108.6Y274 W284 R327 F328Y274-Q342 PolarHBondContact N-O 2.94Å; Y274-Q342 PolarHBondContact O-N 2.77Å; W284-Q342 HydrophobicContact CE3-CB 4.18Å; W284-Q342 HydrophobicContact CH2-CB 3.91Å; W284-Q342 HydrophobicContact CZ3-CB 3.44Å; W284-Q342 VanDerWaalsContact CZ3-CB 3.44Å; R327-Q342 PolarHBondContact O-NE2 2.92Å; F328-Q342 WeakPolarHBondContact O-CA 3.26Å
343A90.3Very high84.1Confident0 Ų051.7 Ų51.70%028%0.278CS..  trans-92.1166.4171.800000111.4L273 F328 E348 Q349L273-A343 HydrophobicContact CD2-CB 3.78Å; F328-A343 PolarHBondContact O-N 3.44Å; F328-A343 VanDerWaalsContact O-N 3.15Å; A343-E348 HydrophobicContact CB-CB 3.85Å; A343-Q349 HydrophobicContact CB-CB 4.04Å
344D86.3Confident84.2Confident66 Ų6651.6 Ų51.635%0.35328%0.278SS..SBendtrans-85.3-20.7-178.7-66.3-33.1000111.8Y274 R286 E348Y274-D344 VanDerWaalsContact CE2-OD1 3.31Å; Y274-D344 WeakPolarHBondContact CE2-OD1 3.47Å; R286-D344 IonicContact CZ-OD2 3.23Å; R286-D344 IonicContact NE-OD2 2.85Å; R286-D344 IonicContact NH2-OD2 2.82Å; R286-D344 PolarHBondContact NH2-OD2 3.01Å; D344-E348 WeakPolarHBondContact CA-OE2 3.28Å; D344-E348 WeakPolarHBondContact CB-OE2 3.22Å; D344-E348 PolarHBondContact N-OE2 3.01Å
345S85.5Confident84.4Confident42 Ų4250.8 Ų50.829%0.29427%0.272SS..SBendtrans-137.1167.417084.20000114.9R347 E348 Q349S345-R347 PolarHBondContact OG-N 2.84Å; S345-E348 PolarHBondContact N-OE2 3.48Å; S345-E348 PolarHBondContact O-N 3.37Å; S345-E348 WeakPolarHBondContact OG-CG 3.46Å; S345-E348 PolarHBondContact OG-N 2.93Å; S345-E348 VanDerWaalsContact OG-N 3.1Å; S345-Q349 WeakPolarHBondContact O-CB 3.16Å; S345-Q349 PolarHBondContact O-N 2.89Å
346E83.6Confident84.9Confident140 Ų14045.7 Ų45.765%0.65424%0.239SC*.Hα-helixtrans-63.6-39.3173.1-173.5169.6-154.200112.5F328 Q349 Q350F328-E346 HydrophobicContact CD1-CB 3.96Å; F328-E346 HydrophobicContact CE1-CB 3.69Å; F328-E346 HydrophobicContact CZ-CB 4.42Å; E346-Q349 WeakPolarHBondContact O-CB 3.1Å; E346-Q349 PolarHBondContact O-N 3.42Å; E346-Q350 PolarHBondContact O-N 3.32Å
347R83Confident85.5Confident151 Ų15145.4 Ų45.457%0.5723%0.227SC*.Hα-helixtrans-65.7-42.1176.9-172.8176.5178.9-177.8-2.8111E254 S345 A351E254-R347 IonicContact OE1-CZ 3.22Å; E254-R347 IonicContact OE1-NH1 2.79Å; E254-R347 PolarHBondContact OE1-NH1 2.9Å; E254-R347 IonicContact OE1-NH2 2.93Å; E254-R347 PolarHBondContact OE1-NH2 3.49Å; S345-R347 PolarHBondContact OG-N 2.84Å; R347-A351 VanDerWaalsContact O-CB 3.32Å; R347-A351 WeakPolarHBondContact O-CB 3.42Å; R347-A351 PolarHBondContact O-N 3.26Å
348E84.6Confident85.9Confident33 Ų3344 Ų4415%0.15422%0.224CC..Hα-helixtrans-63.6-45.4172.6-67.1-171.4155.200111.6L257 A343 D344 S345 Q350 A351 W352L257-E348 HydrophobicContact CD1-CB 4.04Å; L257-E348 HydrophobicContact CD1-CG 3.71Å; A343-E348 HydrophobicContact CB-CB 3.85Å; D344-E348 WeakPolarHBondContact CA-OE2 3.28Å; D344-E348 WeakPolarHBondContact CB-OE2 3.22Å; D344-E348 PolarHBondContact N-OE2 3.01Å; S345-E348 PolarHBondContact N-OE2 3.48Å; S345-E348 PolarHBondContact O-N 3.37Å; S345-E348 WeakPolarHBondContact OG-CG 3.46Å; S345-E348 PolarHBondContact OG-N 2.93Å; S345-E348 VanDerWaalsContact OG-N 3.1Å; E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 2.83Å; E348-A351 PolarHBondContact O-N 2.82Å; E348-W352 WeakPolarHBondContact O-CB 3.37Å; E348-W352 VanDerWaalsContact O-CD1 3.23Å; E348-W352 PolarHBondContact O-N 3.44Å
349Q87.9Confident85.9Confident27 Ų2741.3 Ų41.313%0.12621%0.206CC..Hα-helixtrans-55.9-48.7177.6-174.4-167.77.800110.8F328 C329 F330 A343 S345 E346 W352 I353F328-Q349 HydrophobicContact CB-CB 4.3Å; C329-Q349 PolarHBondContact O-NE2 3.41Å; F330-Q349 HydrophobicContact CD1-CG 4.1Å; A343-Q349 HydrophobicContact CB-CB 4.04Å; S345-Q349 WeakPolarHBondContact O-CB 3.16Å; S345-Q349 PolarHBondContact O-N 2.89Å; E346-Q349 WeakPolarHBondContact O-CB 3.1Å; E346-Q349 PolarHBondContact O-N 3.42Å; Q349-W352 PolarHBondContact O-N 3.18Å; Q349-I353 HydrophobicContact CG-CD1 3.94Å; Q349-I353 WeakPolarHBondContact O-CB 3.38Å; Q349-I353 VanDerWaalsContact O-CG1 3.24Å; Q349-I353 WeakPolarHBondContact O-CG1 3.31Å; Q349-I353 PolarHBondContact O-N 2.92Å
350Q85.9Confident85.7Confident108 Ų10841.8 Ų41.851%0.50521%0.208SC..Hα-helixtrans-67.1-38.3179.3-171.35743.500111.9E346 E348 T354E346-Q350 PolarHBondContact O-N 3.32Å; E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 2.83Å; Q350-T354 PolarHBondContact NE2-OG1 2.9Å; Q350-T354 VanDerWaalsContact O-CB 3.3Å; Q350-T354 WeakPolarHBondContact O-CB 3.35Å; Q350-T354 PolarHBondContact O-N 3.4Å; Q350-T354 PolarHBondContact O-OG1 2.67Å
351A85.6Confident85.2Confident30 Ų3043.7 Ų43.725%0.24822%0.224CC..Hα-helixtrans-62.1-47.7174.500000111.6L257 M269 R347 E348 T354 A355L257-A351 HydrophobicContact CD1-CB 4.26Å; M269-A351 HydrophobicContact CE-CB 3.89Å; R347-A351 VanDerWaalsContact O-CB 3.32Å; R347-A351 WeakPolarHBondContact O-CB 3.42Å; R347-A351 PolarHBondContact O-N 3.26Å; E348-A351 PolarHBondContact O-N 2.82Å; A351-T354 PolarHBondContact O-N 2.94Å; A351-A355 VanDerWaalsContact O-CB 3.31Å; A351-A355 WeakPolarHBondContact O-CB 3.18Å; A351-A355 PolarHBondContact O-N 3.31Å
352W87.3Confident84.6Confident3 Ų346.4 Ų46.41%0.01124%0.243CC..Hα-helixtrans-64.1-42.1177.2-84.2103.4000112.9M269 L273 F289 I291 F330 E348 Q349 V356M269-W352 HydrophobicContact CB-CZ3 4.43Å; M269-W352 HydrophobicContact CE-CD2 3.85Å; M269-W352 HydrophobicContact CE-CG 3.85Å; M269-W352 HydrophobicContact CG-CD2 4.49Å; M269-W352 HydrophobicContact CG-CE3 4.39Å; M269-W352 HydrophobicContact CG-CH2 4.17Å; M269-W352 HydrophobicContact CG-CZ2 4.27Å; M269-W352 HydrophobicContact CG-CZ3 4.23Å; M269-W352 HydrophobicContact SD-CD2 3.57Å; M269-W352 VanDerWaalsContact SD-CD2 3.57Å; M269-W352 HydrophobicContact SD-CE3 3.64Å; M269-W352 HydrophobicContact SD-CG 4Å; M269-W352 HydrophobicContact SD-CH2 4.41Å; M269-W352 HydrophobicContact SD-CZ2 4.36Å; M269-W352 HydrophobicContact SD-CZ3 4.08Å; L273-W352 HydrophobicContact CD1-CD2 3.78Å; L273-W352 HydrophobicContact CD1-CE3 3.99Å; L273-W352 HydrophobicContact CD1-CG 4.21Å; L273-W352 HydrophobicContact CD1-CH2 4.39Å; L273-W352 HydrophobicContact CD1-CZ2 4.2Å; L273-W352 HydrophobicContact CD1-CZ3 4.29Å; L273-W352 HydrophobicContact CD2-CD2 4.37Å; L273-W352 HydrophobicContact CD2-CG 4.16Å; L273-W352 HydrophobicContact CG-CD2 4.32Å; L273-W352 HydrophobicContact CG-CZ2 4.25Å; F289-W352 HydrophobicContact CB-CH2 3.72Å; F289-W352 HydrophobicContact CB-CZ2 4.36Å; F289-W352 HydrophobicContact CB-CZ3 4.22Å; I291-W352 HydrophobicContact CD1-CE3 4.35Å; I291-W352 HydrophobicContact CD1-CZ3 4.14Å; I291-W352 HydrophobicContact CG1-CZ3 4.03Å; F330-W352 HydrophobicContact CE1-CB 4.15Å; F330-W352 HydrophobicContact CZ-CB 3.8Å; F330-W352 HydrophobicContact CZ-CG 4.41Å; E348-W352 WeakPolarHBondContact O-CB 3.37Å; E348-W352 VanDerWaalsContact O-CD1 3.23Å; E348-W352 PolarHBondContact O-N 3.44Å; Q349-W352 PolarHBondContact O-N 3.18Å; W352-V356 WeakPolarHBondContact O-CB 3.44Å; W352-V356 VanDerWaalsContact O-CG2 3.27Å; W352-V356 WeakPolarHBondContact O-CG2 3.49Å; W352-V356 PolarHBondContact O-N 3.1Å
353I87Confident83.5Confident6 Ų644.9 Ų44.93%0.03124%0.236CC..Hα-helixtrans-60.3-47.1173.7-70168.7000110.1V318 P320 F330 Q349 V356 Q357V318-I353 HydrophobicContact CG1-CG2 4.24Å; V318-I353 HydrophobicContact CG2-CG1 4.14Å; V318-I353 HydrophobicContact CG2-CG2 4.39Å; P320-I353 HydrophobicContact CB-CD1 4.34Å; F330-I353 HydrophobicContact CB-CD1 3.87Å; F330-I353 HydrophobicContact CB-CG1 3.91Å; F330-I353 HydrophobicContact CD2-CG1 4.11Å; F330-I353 HydrophobicContact CG-CD1 4.4Å; F330-I353 HydrophobicContact CG-CG1 3.97Å; Q349-I353 HydrophobicContact CG-CD1 3.94Å; Q349-I353 WeakPolarHBondContact O-CB 3.38Å; Q349-I353 VanDerWaalsContact O-CG1 3.24Å; Q349-I353 WeakPolarHBondContact O-CG1 3.31Å; Q349-I353 PolarHBondContact O-N 2.92Å; I353-V356 PolarHBondContact O-N 3.02Å; I353-Q357 HydrophobicContact CG2-CG 4.45Å; I353-Q357 VanDerWaalsContact O-CG 3.31Å; I353-Q357 WeakPolarHBondContact O-CG 3.38Å; I353-Q357 PolarHBondContact O-N 2.65Å
354T86.1Confident82.6Confident48 Ų4850.7 Ų50.729%0.29426%0.261SS..Hα-helixtrans-66.2-42.4-178-51.70000111.5Q350 A351 V356 Q357 N358Q350-T354 PolarHBondContact NE2-OG1 2.9Å; Q350-T354 VanDerWaalsContact O-CB 3.3Å; Q350-T354 WeakPolarHBondContact O-CB 3.35Å; Q350-T354 PolarHBondContact O-N 3.4Å; Q350-T354 PolarHBondContact O-OG1 2.67Å; A351-T354 PolarHBondContact O-N 2.94Å; T354-V356 PolarHBondContact O-N 2.78Å; T354-Q357 PolarHBondContact O-N 3.46Å; T354-N358 WeakPolarHBondContact O-CB 3.4Å; T354-N358 PolarHBondContact O-N 3.08Å
355A84.5Confident81.7Confident1 Ų154.1 Ų54.11%0.00828%0.275CS..Hα-helixtrans-62.9-4117600000112.4F259 M269 I291 A351 N358 S359F259-A355 HydrophobicContact CD2-CB 3.49Å; F259-A355 VanDerWaalsContact CD2-CB 3.49Å; F259-A355 HydrophobicContact CE2-CB 3.85Å; F259-A355 HydrophobicContact CG-CB 4.42Å; M269-A355 HydrophobicContact CB-CB 4.25Å; M269-A355 HydrophobicContact CG-CB 4.43Å; M269-A355 HydrophobicContact SD-CB 3.33Å; M269-A355 WeakPolarHBondContact SD-CB 3.41Å; I291-A355 HydrophobicContact CD1-CB 4.08Å; A351-A355 VanDerWaalsContact O-CB 3.31Å; A351-A355 WeakPolarHBondContact O-CB 3.18Å; A351-A355 PolarHBondContact O-N 3.31Å; A355-N358 PolarHBondContact O-N 3.48Å; A355-S359 WeakPolarHBondContact O-CB 3.29Å; A355-S359 PolarHBondContact O-N 3.38Å
356V84.8Confident80.4Confident1 Ų156.8 Ų56.81%0.00628%0.283CS..Hα-helixtrans-65-44.5173.5170.80000110.6I291 L313 V318 W352 I353 T354 N358 S359 I360I291-V356 HydrophobicContact CD1-CG2 3.83Å; L313-V356 HydrophobicContact CD2-CG1 4.12Å; V318-V356 HydrophobicContact CB-CG1 3.79Å; V318-V356 HydrophobicContact CG1-CB 4.2Å; V318-V356 HydrophobicContact CG1-CG1 3.74Å; V318-V356 HydrophobicContact CG2-CG1 4.28Å; W352-V356 WeakPolarHBondContact O-CB 3.44Å; W352-V356 VanDerWaalsContact O-CG2 3.27Å; W352-V356 WeakPolarHBondContact O-CG2 3.49Å; W352-V356 PolarHBondContact O-N 3.1Å; I353-V356 PolarHBondContact O-N 3.02Å; T354-V356 PolarHBondContact O-N 2.78Å; V356-N358 PolarHBondContact O-N 2.84Å; V356-S359 PolarHBondContact O-N 3.22Å; V356-I360 HydrophobicContact CG1-CD1 3.79Å; V356-I360 HydrophobicContact CG1-CG1 4.45Å; V356-I360 WeakPolarHBondContact O-CD1 3.31Å; V356-I360 WeakPolarHBondContact O-CG1 3.37Å; V356-I360 PolarHBondContact O-N 2.83Å
357Q85.3Confident78.5Confident89 Ų8960 Ų6042%0.41629%0.289SS..Hα-helixtrans-60.3-43.4175.5-73.3174.1-10.600112.5V318 I353 T354 I360 A361V318-Q357 HydrophobicContact CG1-CG 3.44Å; V318-Q357 VanDerWaalsContact CG1-CG 3.44Å; I353-Q357 HydrophobicContact CG2-CG 4.45Å; I353-Q357 VanDerWaalsContact O-CG 3.31Å; I353-Q357 WeakPolarHBondContact O-CG 3.38Å; I353-Q357 PolarHBondContact O-N 2.65Å; T354-Q357 PolarHBondContact O-N 3.46Å; Q357-I360 PolarHBondContact O-N 2.87Å; Q357-A361 WeakPolarHBondContact O-CB 3.48Å; Q357-A361 PolarHBondContact O-N 3.44Å
358N82.7Confident76.6Confident70 Ų7063.5 Ų63.537%0.37430%0.303SS..Hα-helixtrans-66.5-40.2177.9-70.2-11.8000111.8F259 T354 A355 V356 A361 S362F259-N358 HydrophobicContact CE1-CB 4.05Å; F259-N358 HydrophobicContact CE2-CB 4.23Å; F259-N358 HydrophobicContact CZ-CB 3.56Å; T354-N358 WeakPolarHBondContact O-CB 3.4Å; T354-N358 PolarHBondContact O-N 3.08Å; A355-N358 PolarHBondContact O-N 3.48Å; V356-N358 PolarHBondContact O-N 2.84Å; N358-A361 PolarHBondContact O-N 3.42Å; N358-S362 WeakPolarHBondContact O-CB 3.36Å; N358-S362 PolarHBondContact O-N 2.97Å
359S79.8Confident74.3Confident6 Ų670.2 Ų70.24%0.04233%0.334CS..Hα-helixtrans-64.5-40.5174.2179.70000111.9L313 A355 V356 A363L313-S359 WeakPolarHBondContact CD1-OG 3.22Å; A355-S359 WeakPolarHBondContact O-CB 3.29Å; A355-S359 PolarHBondContact O-N 3.38Å; V356-S359 PolarHBondContact O-N 3.22Å; S359-A363 VanDerWaalsContact O-CB 3.27Å; S359-A363 WeakPolarHBondContact O-CB 3.41Å; S359-A363 PolarHBondContact O-N 3.05Å
360I80.4Confident71.8Confident20 Ų2075.6 Ų75.610%0.10336%0.364CS..Hα-helixtrans-59.8-47172.7-65.6162.3000110.4L313 V318 V356 Q357 A363 F364L313-I360 HydrophobicContact CB-CG1 4.15Å; L313-I360 HydrophobicContact CD2-CG1 4.5Å; L313-I360 WeakPolarHBondContact O-CG1 3.41Å; V318-I360 HydrophobicContact CG1-CD1 4.44Å; V356-I360 HydrophobicContact CG1-CD1 3.79Å; V356-I360 HydrophobicContact CG1-CG1 4.45Å; V356-I360 WeakPolarHBondContact O-CD1 3.31Å; V356-I360 WeakPolarHBondContact O-CG1 3.37Å; V356-I360 PolarHBondContact O-N 2.83Å; Q357-I360 PolarHBondContact O-N 2.87Å; I360-A363 PolarHBondContact O-N 2.9Å; I360-F364 HydrophobicContact CG2-CD2 3.93Å; I360-F364 HydrophobicContact CG2-CE2 3.61Å; I360-F364 WeakPolarHBondContact O-CD2 3.39Å; I360-F364 PolarHBondContact O-N 2.91Å
361A78.9Confident69.2Low45 Ų4573.9 Ų73.937%0.37237%0.368SS..Hα-helixtrans-64.5-44-179.300000112.9Q357 N358 F364 Q365Q357-A361 WeakPolarHBondContact O-CB 3.48Å; Q357-A361 PolarHBondContact O-N 3.44Å; N358-A361 PolarHBondContact O-N 3.42Å; A361-F364 PolarHBondContact O-N 3.4Å; A361-Q365 WeakPolarHBondContact O-CG 3.43Å; A361-Q365 PolarHBondContact O-N 3.03Å
362S76.5Confident66.7Low57 Ų5781 Ų8140%0.39940%0.396SS..Hα-helixtrans-59.3-46.5175.1-1780000111.4N358 F364 Q365 E366N358-S362 WeakPolarHBondContact O-CB 3.36Å; N358-S362 PolarHBondContact O-N 2.97Å; S362-F364 PolarHBondContact O-N 3.02Å; S362-F364 VanDerWaalsContact O-N 3.16Å; S362-Q365 WeakPolarHBondContact O-CA 3.16Å; S362-Q365 WeakPolarHBondContact O-CB 3.31Å; S362-Q365 PolarHBondContact O-N 2.86Å; S362-E366 PolarHBondContact O-N 2.75Å
363A68.4Low63.8Low0 Ų085.9 Ų85.90%043%0.43CS..Hα-helixtrans-65.3-20.2179.300000113.9N294 R314 S359 I360N294-A363 HydrophobicContact CB-CB 3.98Å; N294-A363 VanDerWaalsContact CG-CB 3.42Å; N294-A363 VanDerWaalsContact ND2-CB 3.34Å; N294-A363 WeakPolarHBondContact ND2-CB 3.47Å; R314-A363 WeakPolarHBondContact CD-O 3.28Å; R314-A363 HydrophobicContact CG-CB 3.27Å; S359-A363 VanDerWaalsContact O-CB 3.27Å; S359-A363 WeakPolarHBondContact O-CB 3.41Å; S359-A363 PolarHBondContact O-N 3.05Å; I360-A363 PolarHBondContact O-N 2.9Å
364F70.8Confident61.3Low121 Ų12191.2 Ų91.253%0.53147%0.466SS..Hα-helixtrans-80.4-27.2167.9-80.9-64.3000113.5R314 I360 A361 S362R314-F364 HydrophobicContact CB-CZ 4.48Å; R314-F364 WeakPolarHBondContact O-CE2 3.11Å; R314-F364 WeakPolarHBondContact O-CZ 3.38Å; I360-F364 HydrophobicContact CG2-CD2 3.93Å; I360-F364 HydrophobicContact CG2-CE2 3.61Å; I360-F364 WeakPolarHBondContact O-CD2 3.39Å; I360-F364 PolarHBondContact O-N 2.91Å; A361-F364 PolarHBondContact O-N 3.4Å; S362-F364 PolarHBondContact O-N 3.02Å; S362-F364 VanDerWaalsContact O-N 3.16Å
365Q66.4Low58.9Low138 Ų138101 Ų10165%0.64550%0.497SS*.Hα-helixtrans-78.6-38.2-177.6-71.31765.100112.5A361 S362 R367 R368A361-Q365 WeakPolarHBondContact O-CG 3.43Å; A361-Q365 PolarHBondContact O-N 3.03Å; S362-Q365 WeakPolarHBondContact O-CA 3.16Å; S362-Q365 WeakPolarHBondContact O-CB 3.31Å; S362-Q365 PolarHBondContact O-N 2.86Å; Q365-R367 PolarHBondContact O-N 3.23Å; Q365-R368 PolarHBondContact O-N 3.2Å
366E59Low56Low99 Ų99106.2 Ų106.246%0.46353%0.533SS..Hα-helixtrans-49-36174.6-69.6177.1135.100112.2N294 S362 R368 E369N294-E366 PolarHBondContact ND2-OE2 2.92Å; S362-E366 PolarHBondContact O-N 2.75Å; E366-R368 VanDerWaalsContact C-N 3.25Å; E366-R368 PolarHBondContact O-N 3.2Å; E366-E369 PolarHBondContact O-N 2.82Å
367R42.9Very low53.8Low206 Ų206117.7 Ų117.778%0.77758%0.576SS**Hα-helixtrans-71-11.5-179.2-148-172.4-170.6-152.33.7114.9Q365Q365-R367 PolarHBondContact O-N 3.23Å
368R42.9Very low50.9Low225 Ų225118.8 Ų118.885%0.84959%0.593SS**Hα-helixtrans-85.6-24.6178-95.4-168.1171.8-153.1-0.9113.5Q365 E366Q365-R368 PolarHBondContact O-N 3.2Å; E366-R368 VanDerWaalsContact C-N 3.25Å; E366-R368 PolarHBondContact O-N 3.2Å
369E37.9Very low48.3Very low174 Ų174122.2 Ų122.281%0.81362%0.616SS**Hα-helixtrans-87.6-34.2-179.7-59.9-166.7145.700111.7E366 A371E366-E369 PolarHBondContact O-N 2.82Å; E369-A371 PolarHBondContact O-N 3.13Å; E369-A371 VanDerWaalsContact O-N 3.15Å
370D35Very low45.7Very low140 Ų140127.6 Ų127.675%0.74965%0.654SS**G310 helixtrans-71.5-3.4177.9-83.1-26000115.5H372D370-H372 PolarHBondContact O-N 2.78Å
371A31.8Very low43.4Very low72 Ų72133.3 Ų133.360%0.59569%0.689SS**G310 helixtrans-74.6-9.7-178.300000114E369E369-A371 PolarHBondContact O-N 3.13Å; E369-A371 VanDerWaalsContact O-N 3.15Å
372H32.9Very low40.9Very low180 Ų180136.3 Ų136.383%0.83371%0.708SS**G310 helixtrans-131.254.5-172.4-79.718000113.8D370D370-H372 PolarHBondContact O-N 2.78Å
373S26.3Very low38.5Very low105 Ų105141.2 Ų141.273%0.73473%0.726SS**  trans-151.2124.9156.9-166.30000113.2
374P34.4Very low36.4Very low119 Ų119147.1 Ų147.177%0.77377%0.767SS**  trans-83.3125.717832.2-31.8000111.9
375R35.7Very low34.4Very low254 Ų254145.8 Ų145.896%0.95877%0.773SS**  trans19104.5154.6-77.6178.6159.5150.7-4.5116.8
376S23.8Very low32.6Very low109 Ų109147.3 Ų147.376%0.76279%0.785SS**  trans-119.6127.9149.8-167.90000110.6
377R37Very low31.1Very low243 Ų243151 Ų15192%0.91780%0.802SS**  trans-83.3126.2160.9-63.4177.7-152.3142.64.6106.6
378C25.3Very low30.8Very low112 Ų112151.1 Ų151.176%0.75781%0.808SS**  trans-129103.9159.3-88.80000110.6
379T27.1Very low30Very low142 Ų142144.2 Ų144.287%0.87181%0.807SS**  trans-59.4125.414641.20000109.8
380S26.8Very low29.6Very low118 Ų118140 Ų14083%0.82581%0.81SS**  trans-149.4104.5154.956.50000109.5
381V31.6Very low29.5Very low140 Ų140137.1 Ų137.185%0.84881%0.813SS**  trans-85.9141.6169.9-101.30000109.6
382S26.9Very low29.5Very low109 Ų109136.5 Ų136.576%0.76281%0.814SS**  trans140.5143.9147.3-65.40000111.4
383M25Very low30Very low159 Ų159133.6 Ų133.678%0.78380%0.803SS**  cis-162.3129.2-19.7-108-169.378.300106.3
384S24.9Very low30.7Very low124 Ų124130.3 Ų130.387%0.86779%0.787SS**  trans-153.5121.6148.3540000108.8
385S29.3Very low30.8Very low94 Ų94125.8 Ų125.866%0.65776%0.756SS**  trans-117.1121.4-177.5-57.30000108.5
386L27Very low30.9Very low169 Ų169120.4 Ų120.489%0.88574%0.742SS**  trans-168.2154.6136.1-106.5141.4000112
387E28.3Very low31.6Very low177 Ų177121.9 Ų121.983%0.82774%0.741SS**  trans-75177.6-162.9-56.2177.5138.800114.7
388K36Very low31.9Very low209 Ų209112.6 Ų112.691%0.90971%0.713SS**  cis-172141.9-42.6-171177.1-170.4179.20108
389G26.7Very low32.9Very low79 Ų79110.2 Ų110.281%0.81469%0.691SS**  trans114130.6170.400000113.6
390G30.1Very low34Very low86 Ų86103.6 Ų103.689%0.88765%0.651SS**  cis138.9132.62.200000109.7
391G31.6Very low35.6Very low79 Ų79101.3 Ų101.381%0.81463%0.634SS**  cis178.7169.7-6.800000111.7
392G33.3Very low37.3Very low59 Ų5998.8 Ų98.861%0.60861%0.612SS**  trans79.2151.2166.100000116.9
393I43.3Very low39.2Very low119 Ų11993.7 Ų93.761%0.6158%0.576SS**  cis-140.1119.39.5-79.2-166.3000112Q305 D395Q305-I393 WeakPolarHBondContact CG-O 3.39Å; Q305-I393 PolarHBondContact NE2-O 2.7Å; I393-D395 VanDerWaalsContact CA-OD1 3.24Å; I393-D395 WeakPolarHBondContact CA-OD1 3.45Å; I393-D395 HydrophobicContact CB-CB 4.4Å; I393-D395 WeakPolarHBondContact CD1-OD2 3.47Å; I393-D395 VanDerWaalsContact CG1-OD2 3.28Å; I393-D395 WeakPolarHBondContact CG1-OD2 3.34Å; I393-D395 HydrophobicContact CG2-CB 3.59Å
394G40.5Very low41.6Very low37 Ų3787.6 Ų87.638%0.38155%0.547SS..  trans-133.563.1168.300000105.4
395D37.5Very low44.1Very low24 Ų2488.5 Ų88.513%0.12854%0.537CS..Hα-helixtrans-97.9-14.7-140.6-8922.1000116.2I393 D397 S398 E399I393-D395 VanDerWaalsContact CA-OD1 3.24Å; I393-D395 WeakPolarHBondContact CA-OD1 3.45Å; I393-D395 HydrophobicContact CB-CB 4.4Å; I393-D395 WeakPolarHBondContact CD1-OD2 3.47Å; I393-D395 VanDerWaalsContact CG1-OD2 3.28Å; I393-D395 WeakPolarHBondContact CG1-OD2 3.34Å; I393-D395 HydrophobicContact CG2-CB 3.59Å; D395-D397 PolarHBondContact O-N 3.08Å; D395-S398 PolarHBondContact O-N 2.94Å; D395-E399 HydrophobicContact CB-CG 3.71Å; D395-E399 WeakPolarHBondContact O-CA 3.48Å; D395-E399 WeakPolarHBondContact O-CB 3.27Å; D395-E399 WeakPolarHBondContact O-CG 3.47Å; D395-E399 PolarHBondContact O-N 3.39Å
396Q37.4Very low46.4Very low141 Ų14188 Ų8866%0.65952%0.524SS*.Hα-helixtrans-66.6-40.5-175.9-77.7178.2-2700113.1G400 T460Q396-G400 PolarHBondContact O-N 3.23Å; Q396-T460 PolarHBondContact NE2-OG1 3.46Å
397D37.6Very low48.8Very low139 Ų13979.9 Ų79.974%0.74348%0.482SS*.Hα-helixtrans-80.2-26.7171.6-69.9-23.2000113.1D395 C401D395-D397 PolarHBondContact O-N 3.08Å; D397-C401 PolarHBondContact O-N 3.31Å
398S44.3Very low51.3Low49 Ų4973.7 Ų73.734%0.34345%0.453SS..Hα-helixtrans-81.3-39.2-179.4-169.30000113.4D395 K402D395-S398 PolarHBondContact O-N 2.94Å; S398-K402 WeakPolarHBondContact O-CD 3.45Å; S398-K402 WeakPolarHBondContact O-CG 3.47Å; S398-K402 PolarHBondContact O-N 2.96Å; S398-K402 VanDerWaalsContact O-N 3.12Å; S398-K402 VanDerWaalsContact OG-CE 3.24Å; S398-K402 WeakPolarHBondContact OG-CE 3.46Å; S398-K402 PolarHBondContact OG-NZ 2.92Å
399E46.6Very low53.4Low61 Ų6167.3 Ų67.329%0.28544%0.439SS..Hα-helixtrans-71.3-38.2171.8-72.7-179135.400111.4D395 C401 K402 A403D395-E399 HydrophobicContact CB-CG 3.71Å; D395-E399 WeakPolarHBondContact O-CA 3.48Å; D395-E399 WeakPolarHBondContact O-CB 3.27Å; D395-E399 WeakPolarHBondContact O-CG 3.47Å; D395-E399 PolarHBondContact O-N 3.39Å; E399-C401 VanDerWaalsContact C-N 3.34Å; E399-C401 PolarHBondContact O-N 3.49Å; E399-K402 PolarHBondContact O-N 2.69Å; E399-A403 VanDerWaalsContact O-CB 3.23Å; E399-A403 WeakPolarHBondContact O-CB 3.24Å; E399-A403 PolarHBondContact O-N 3.48Å
400G50Low55.8Low3 Ų365 Ų653%0.03141%0.408CS..Hα-helixtrans-55.9-4817400000112Q396 L404 L456Q396-G400 PolarHBondContact O-N 3.23Å; G400-L404 WeakPolarHBondContact O-CB 3.24Å; G400-L404 PolarHBondContact O-N 3.03Å; G400-L456 VanDerWaalsContact O-O 3.12Å
401C59.3Low57.9Low70 Ų7065.4 Ų65.447%0.47340%0.397SS..Hα-helixtrans-65-42.7173.9-76.80000113.3D397 E399 L404 E405D397-C401 PolarHBondContact O-N 3.31Å; E399-C401 VanDerWaalsContact C-N 3.34Å; E399-C401 PolarHBondContact O-N 3.49Å; C401-L404 WeakPolarHBondContact O-CB 3.27Å; C401-L404 PolarHBondContact O-N 3.41Å; C401-E405 WeakPolarHBondContact O-CG 3.34Å; C401-E405 PolarHBondContact O-N 3.22Å
402K67.4Low60Low88 Ų8863.4 Ų63.438%0.38338%0.377SS..Hα-helixtrans-62.3-43.7176.6-70.2161.8-162.2151.60112.1S398 E399 E405 E406S398-K402 WeakPolarHBondContact O-CD 3.45Å; S398-K402 WeakPolarHBondContact O-CG 3.47Å; S398-K402 PolarHBondContact O-N 2.96Å; S398-K402 VanDerWaalsContact O-N 3.12Å; S398-K402 VanDerWaalsContact OG-CE 3.24Å; S398-K402 WeakPolarHBondContact OG-CE 3.46Å; S398-K402 PolarHBondContact OG-NZ 2.92Å; E399-K402 PolarHBondContact O-N 2.69Å; K402-E405 PolarHBondContact O-N 3.25Å; K402-E406 WeakPolarHBondContact O-CB 3.45Å; K402-E406 WeakPolarHBondContact O-CG 3.34Å; K402-E406 PolarHBondContact O-N 3.13Å
403A66.2Low62.5Low2 Ų260.6 Ų60.62%0.01735%0.348CS..Hα-helixtrans-64.5-40.7178.500000111.3E399 I407 I466E399-A403 VanDerWaalsContact O-CB 3.23Å; E399-A403 WeakPolarHBondContact O-CB 3.24Å; E399-A403 PolarHBondContact O-N 3.48Å; A403-I407 VanDerWaalsContact O-CB 3.23Å; A403-I407 WeakPolarHBondContact O-CB 3.27Å; A403-I407 VanDerWaalsContact O-CG1 3.27Å; A403-I407 WeakPolarHBondContact O-CG1 3.42Å; A403-I407 PolarHBondContact O-N 3.26Å; A403-I466 HydrophobicContact CB-CD1 3.63Å; A403-I466 HydrophobicContact CB-CG1 4.36Å
404L76.3Confident64.4Low30 Ų3061.6 Ų61.616%0.15735%0.348CS..Hα-helixtrans-60.1-48.5172.6-170.377.1000111.4G400 C401 Q408 L456 T457G400-L404 WeakPolarHBondContact O-CB 3.24Å; G400-L404 PolarHBondContact O-N 3.03Å; C401-L404 WeakPolarHBondContact O-CB 3.27Å; C401-L404 PolarHBondContact O-N 3.41Å; L404-Q408 VanDerWaalsContact O-CB 3.24Å; L404-Q408 WeakPolarHBondContact O-CB 3.45Å; L404-Q408 VanDerWaalsContact O-CG 3.26Å; L404-Q408 WeakPolarHBondContact O-CG 3.41Å; L404-Q408 PolarHBondContact O-N 3.18Å; L404-L456 HydrophobicContact CD1-CB 3.65Å; L404-L456 HydrophobicContact CD1-CD1 3.9Å; L404-L456 HydrophobicContact CD1-CG 4.41Å; L404-T457 HydrophobicContact CD1-CG2 4.17Å; L404-T457 HydrophobicContact CD2-CG2 4.06Å
405E76.5Confident66.8Low144 Ų14465.3 Ų65.367%0.67336%0.355SS*.Hα-helixtrans-63.3-49.2178.9-74.5177.1-173.700112.4C401 K402 I407 Q408 A409C401-E405 WeakPolarHBondContact O-CG 3.34Å; C401-E405 PolarHBondContact O-N 3.22Å; K402-E405 PolarHBondContact O-N 3.25Å; E405-I407 PolarHBondContact O-N 3.45Å; E405-Q408 PolarHBondContact O-N 3.41Å; E405-A409 WeakPolarHBondContact O-CB 3.47Å; E405-A409 PolarHBondContact O-N 3.05Å
406E78Confident69.4Low82 Ų8264.4 Ų64.438%0.38335%0.35SS..Hα-helixtrans-60.8-43.2178-73.9-177.1-168.100111.4K402 I466K402-E406 WeakPolarHBondContact O-CB 3.45Å; K402-E406 WeakPolarHBondContact O-CG 3.34Å; K402-E406 PolarHBondContact O-N 3.13Å; E406-I466 HydrophobicContact CB-CG2 4.25Å; E406-I466 WeakPolarHBondContact OE2-CG2 3.45Å
407I78.3Confident71.9Confident0 Ų057.8 Ų57.80%032%0.32CS..Hα-helixtrans-77-31.9-178.1-67170.5000112A403 E405 I410 N413 T434 L456 I466 M470A403-I407 VanDerWaalsContact O-CB 3.23Å; A403-I407 WeakPolarHBondContact O-CB 3.27Å; A403-I407 VanDerWaalsContact O-CG1 3.27Å; A403-I407 WeakPolarHBondContact O-CG1 3.42Å; A403-I407 PolarHBondContact O-N 3.26Å; E405-I407 PolarHBondContact O-N 3.45Å; I407-I410 HydrophobicContact CG2-CD1 4.49Å; I407-I410 WeakPolarHBondContact O-CD1 3.45Å; I407-N413 WeakPolarHBondContact O-CB 3.31Å; I407-N413 PolarHBondContact O-ND2 3.24Å; I407-T434 HydrophobicContact CG2-CG2 3.53Å; I407-L456 HydrophobicContact CB-CD2 4.4Å; I407-L456 HydrophobicContact CD1-CD2 3.52Å; I407-L456 HydrophobicContact CG2-CD1 4.47Å; I407-L456 HydrophobicContact CG2-CD2 4.27Å; I407-I466 HydrophobicContact CD1-CG1 4.4Å; I407-I466 HydrophobicContact CD1-CG2 4.14Å; I407-I466 HydrophobicContact CG1-CG2 4.05Å; I407-M470 HydrophobicContact CD1-CB 3.94Å; I407-M470 HydrophobicContact CD1-CG 4Å; I407-M470 HydrophobicContact CG1-CB 4Å; I407-M470 HydrophobicContact CG2-CE 4.13Å
408Q79.9Confident74.4Confident46 Ų4651.2 Ų51.222%0.21529%0.285CS..Hα-helixtrans-79.2-14.6175.4-70.8-1753.700113.7L404 E405 I410 K414 P424L404-Q408 VanDerWaalsContact O-CB 3.24Å; L404-Q408 WeakPolarHBondContact O-CB 3.45Å; L404-Q408 VanDerWaalsContact O-CG 3.26Å; L404-Q408 WeakPolarHBondContact O-CG 3.41Å; L404-Q408 PolarHBondContact O-N 3.18Å; E405-Q408 PolarHBondContact O-N 3.41Å; Q408-I410 PolarHBondContact O-N 3.2Å; Q408-K414 VanDerWaalsContact O-CE 3.31Å; Q408-K414 WeakPolarHBondContact O-CE 3.24Å; Q408-K414 WeakPolarHBondContact O-CG 3.46Å; Q408-P424 PolarHBondContact NE2-O 2.91Å
409A79.6Confident76.5Confident75 Ų7549 Ų4962%0.6227%0.27SS*.THydrogen-bonded Turntrans-66.1-25.1173.100000113.1E405E405-A409 WeakPolarHBondContact O-CB 3.47Å; E405-A409 PolarHBondContact O-N 3.05Å
410I78Confident78.4Confident31 Ų3147.3 Ų47.316%0.15927%0.268CS..SBendtrans-71.7142.4-175.5-54.7153.5000111.5I407 Q408 G412 N413 M470 C471I407-I410 HydrophobicContact CG2-CD1 4.49Å; I407-I410 WeakPolarHBondContact O-CD1 3.45Å; Q408-I410 PolarHBondContact O-N 3.2Å; I410-G412 PolarHBondContact O-N 3.44Å; I410-G412 VanDerWaalsContact O-N 3.11Å; I410-N413 HydrophobicContact CB-CB 4.22Å; I410-N413 WeakPolarHBondContact CD1-ND2 3.11Å; I410-N413 PolarHBondContact O-N 2.86Å; I410-M470 WeakPolarHBondContact CD1-O 3.36Å; I410-C471 VanDerWaalsContact CD1-CA 3.47Å; I410-C471 HydrophobicContact CD1-CB 4.37Å
411S73.3Confident80.3Confident95 Ų9550.1 Ų50.166%0.66428%0.28SS*.THydrogen-bonded Turntrans-54.1113.1179.1-680000113.5S476S411-S476 WeakPolarHBondContact O-CB 3.03Å; S411-S476 PolarHBondContact O-OG 3.4Å
412G76.5Confident81.6Confident37 Ų3751.2 Ų51.238%0.38129%0.287SS..THydrogen-bonded Turntrans94.5-13.2-179.700000115.1I410 K414 N475I410-G412 PolarHBondContact O-N 3.44Å; I410-G412 VanDerWaalsContact O-N 3.11Å; G412-K414 VanDerWaalsContact C-N 3.32Å; G412-K414 PolarHBondContact O-N 2.97Å; G412-N475 PolarHBondContact O-ND2 3.25Å; G412-N475 VanDerWaalsContact O-ND2 3.13Å
413N85Confident82.3Confident0 Ų048.7 Ų48.70%029%0.286CS..THydrogen-bonded Turntrans-78.5-12.9-175.6-76.59.7000114.4I407 I410 Q415 P424 T434 G474 N475I407-N413 WeakPolarHBondContact O-CB 3.31Å; I407-N413 PolarHBondContact O-ND2 3.24Å; I410-N413 HydrophobicContact CB-CB 4.22Å; I410-N413 WeakPolarHBondContact CD1-ND2 3.11Å; I410-N413 PolarHBondContact O-N 2.86Å; N413-Q415 PolarHBondContact O-N 3.01Å; N413-P424 WeakPolarHBondContact O-CG 3.4Å; N413-T434 HydrophobicContact CB-CG2 3.94Å; N413-T434 PolarHBondContact O-OG1 2.97Å; N413-G474 WeakPolarHBondContact OD1-CA 3.47Å; N413-N475 WeakPolarHBondContact OD1-CB 3.35Å; N413-N475 VanDerWaalsContact OD1-CG 3.29Å; N413-N475 PolarHBondContact OD1-N 2.85Å
414K85.1Confident83.3Confident140 Ų14048.6 Ų48.661%0.60929%0.285SS*.THydrogen-bonded Turntrans-67.3-11.8174.2-60.8-174.6-180-178.50114Q408 G412 G423 P424Q408-K414 VanDerWaalsContact O-CE 3.31Å; Q408-K414 WeakPolarHBondContact O-CE 3.24Å; Q408-K414 WeakPolarHBondContact O-CG 3.46Å; G412-K414 VanDerWaalsContact C-N 3.32Å; G412-K414 PolarHBondContact O-N 2.97Å; K414-G423 PolarHBondContact O-N 3.19Å; K414-P424 WeakPolarHBondContact O-CD 3.25Å
415Q90.4Very high84Confident115 Ų11550.5 Ų50.554%0.53730%0.295SS..BIsolated β-bridgetrans-129.7146.6177.5-66.6175.51000109.5N413 C417 E421 N475N413-Q415 PolarHBondContact O-N 3.01Å; Q415-C417 PolarHBondContact O-N 3.46Å; Q415-E421 CarbonylContact C-O 3.59Å; Q415-E421 VanDerWaalsContact CA-O 3.29Å; Q415-E421 WeakPolarHBondContact CA-O 3.39Å; Q415-N475 PolarHBondContact O-ND2 3.01Å
416C91.6Very high84.6Confident4 Ų446.2 Ų46.23%0.02727%0.273CS..  trans-56.3127174.5175.10000111.1D418 G420 E421 C436 C439C416-D418 PolarHBondContact O-N 2.96Å; C416-D418 VanDerWaalsContact O-N 3.09Å; C416-G420 WeakPolarHBondContact O-CA 3.4Å; C416-G420 PolarHBondContact O-N 2.87Å; C416-E421 HydrophobicContact CB-CB 3.81Å; C416-E421 PolarHBondContact N-O 3.19Å; C416-C436 HydrophobicContact CB-CB 4.03Å; C416-C436 PolarHBondContact SG-N 3.33Å; C416-C439 VanDerWaalsContact SG-SG 3.69Å
417C89.4Confident85.3Confident3 Ų342.3 Ų42.32%0.0226%0.255CS..THydrogen-bonded Turntrans-48.7-41.5-176-174.30000113.7Q415 I433 T434 L435 N475 N479 K493 K510 Y511Q415-C417 PolarHBondContact O-N 3.46Å; C417-I433 HydrophobicContact CB-CB 4.02Å; C417-I433 HydrophobicContact CB-CD1 4.37Å; C417-I433 HydrophobicContact CB-CG2 4.38Å; C417-T434 WeakPolarHBondContact CB-O 3.32Å; C417-T434 PolarHBondContact N-O 2.72Å; C417-L435 HydrophobicContact CB-CD2 4.31Å; C417-N475 HydrophobicContact CB-CB 4.38Å; C417-N475 PolarHBondContact N-ND2 3.14Å; C417-N479 PolarHBondContact O-ND2 3.4Å; C417-N479 PolarHBondContact SG-OD1 3.4Å; C417-K493 WeakPolarHBondContact O-CE 3.37Å; C417-K493 PolarHBondContact O-NZ 2.91Å; C417-K510 PolarHBondContact SG-NZ 3.19Å; C417-K510 VanDerWaalsContact SG-NZ 3.43Å; C417-Y511 PolarHBondContact SG-OH 3.35Å
418D90Very high85.9Confident1 Ų142.3 Ų42.31%0.00526%0.255CS..THydrogen-bonded Turntrans-97.5-34.2-168.6-58.7-42.2000114.3C416 L435 H443 K493 I507 K510 Y511C416-D418 PolarHBondContact O-N 2.96Å; C416-D418 VanDerWaalsContact O-N 3.09Å; D418-L435 WeakPolarHBondContact OD2-CD2 3.23Å; D418-H443 IonicContact OD1-NE2 2.65Å; D418-H443 PolarHBondContact OD1-NE2 2.95Å; D418-H443 IonicContact OD2-CD2 1.84Å; D418-H443 IonicContact OD2-NE2 2.8Å; D418-H443 PolarHBondContact OD2-NE2 3.42Å; D418-K493 WeakPolarHBondContact O-CE 3.35Å; D418-I507 HydrophobicContact CB-CD1 4.08Å; D418-I507 HydrophobicContact CB-CG1 3.85Å; D418-K510 IonicContact OD1-NZ 3.46Å; D418-K510 PolarHBondContact OD1-NZ 3.08Å; D418-Y511 VanDerWaalsContact OD1-CE2 3.31Å; D418-Y511 WeakPolarHBondContact OD1-CE2 3.34Å; D418-Y511 PolarHBondContact OD1-OH 3.02Å
419C88.9Confident86.2Confident3 Ų340.4 Ų40.42%0.0225%0.246CC..THydrogen-bonded Turntrans-125.86.7-176.182.50000115.8E421 C439 P494 H495 P496 K503C419-E421 PolarHBondContact O-N 3.21Å; C419-E421 VanDerWaalsContact O-N 3.17Å; C419-C439 PolarHBondContact SG-SG 2.89Å; C419-P494 WeakPolarHBondContact CA-O 3.37Å; C419-P494 HydrophobicContact CB-CG 4.35Å; C419-H495 CarbonylContact O-C 3.58Å; C419-P496 WeakPolarHBondContact O-CD 3.36Å; C419-P496 WeakPolarHBondContact O-CG 3.17Å; C419-K503 HydrophobicContact CB-CD 4.13Å; C419-K503 HydrophobicContact CB-CG 4.35Å
420G87.3Confident86.6Confident25 Ų2537.2 Ų37.226%0.25822%0.218SC..  trans71.27173.700000116.7C416C416-G420 WeakPolarHBondContact O-CA 3.4Å; C416-G420 PolarHBondContact O-N 2.87Å
421E88.6Confident87.1Confident61 Ų6136.3 Ų36.329%0.28521%0.214SC..  trans-58.2125.6178-163.882.6-12500110.8Q415 C416 C419 C436 P496 K503Q415-E421 CarbonylContact C-O 3.59Å; Q415-E421 VanDerWaalsContact CA-O 3.29Å; Q415-E421 WeakPolarHBondContact CA-O 3.39Å; C416-E421 HydrophobicContact CB-CB 3.81Å; C416-E421 PolarHBondContact N-O 3.19Å; C419-E421 PolarHBondContact O-N 3.21Å; C419-E421 VanDerWaalsContact O-N 3.17Å; E421-C436 HydrophobicContact CB-CB 3.75Å; E421-C436 HydrophobicContact CG-CB 3.81Å; E421-P496 WeakPolarHBondContact OE2-CB 3.32Å; E421-K503 IonicContact OE2-NZ 2.85Å
422P86.8Confident87.7Confident93 Ų9331.8 Ų31.860%0.60418%0.183SC*.BIsolated β-bridgetrans-69.4147.1179.330-35.2000111.6
423G82.6Confident88.4Confident36 Ų3630 Ų3037%0.37116%0.164SC..SBendtrans66.563.7176.700000114.4K414 D425K414-G423 PolarHBondContact O-N 3.19Å; G423-D425 PolarHBondContact O-N 3.33Å
424P88.2Confident88.7Confident0 Ų030 Ų300%016%0.164CC..  trans-74.3122.517429.5-32.6000111.8Q408 N413 K414 T434 L435 L456Q408-P424 PolarHBondContact NE2-O 2.91Å; N413-P424 WeakPolarHBondContact O-CG 3.4Å; K414-P424 WeakPolarHBondContact O-CD 3.25Å; P424-T434 VanDerWaalsContact CG-OG1 3.23Å; P424-T434 WeakPolarHBondContact CG-OG1 3.39Å; P424-L435 VanDerWaalsContact CB-C 3.42Å; P424-L435 VanDerWaalsContact CB-O 3.28Å; P424-L435 WeakPolarHBondContact CB-O 3.31Å; P424-L456 WeakPolarHBondContact O-CD1 3.35Å
425D89.1Confident89Confident69 Ų6923.4 Ų23.437%0.36914%0.135SC..  trans-96.37.7177.3-46.3-55.4000113.9G423 L456 T457G423-D425 PolarHBondContact O-N 3.33Å; D425-L456 WeakPolarHBondContact O-CB 3.46Å; D425-L456 PolarHBondContact O-N 3.14Å; D425-T457 HydrophobicContact CB-CG2 4.48Å
426W90.8Very high89.1Confident54 Ų5418.3 Ų18.321%0.20511%0.112CC..EExtended strand (participates in β ladder)trans-130.4153.8-176.1-5952.4000109T434 L435 I437 S440 R444 V453 R454W426-T434 CarbonylContact O-C 3.55Å; W426-T434 WeakPolarHBondContact O-CA 3.48Å; W426-L435 HydrophobicContact CB-CB 4.45Å; W426-L435 WeakPolarHBondContact CB-O 3.3Å; W426-L435 PolarHBondContact N-O 3.05Å; W426-L435 PolarHBondContact O-N 3.27Å; W426-I437 HydrophobicContact CZ2-CD1 4.34Å; W426-I437 HydrophobicContact CZ2-CG1 4.02Å; W426-S440 VanDerWaalsContact CD2-OG 3.24Å; W426-R444 VanDerWaalsContact CZ3-NH2 3.25Å; W426-V453 HydrophobicContact CE3-CG1 3.81Å; W426-R454 CarbonylContact C-O 3.52Å; W426-R454 WeakPolarHBondContact CA-O 3.39Å
427A91.1Very high89Confident0 Ų023.7 Ų23.70%014%0.14CC..EExtended strand (participates in β ladder)trans-143.4156.2-179.500000112.1I433 V453 R454 L456 W461 M470A427-I433 CarbonylContact C-O 3.57Å; A427-I433 WeakPolarHBondContact CA-O 3.36Å; A427-I433 WeakPolarHBondContact CB-O 3.45Å; A427-V453 CarbonylContact O-C 3.46Å; A427-V453 WeakPolarHBondContact O-CA 3.42Å; A427-R454 PolarHBondContact N-O 2.65Å; A427-R454 PolarHBondContact O-N 3.36Å; A427-L456 HydrophobicContact CB-CD1 4.38Å; A427-L456 HydrophobicContact CB-CD2 3.84Å; A427-L456 HydrophobicContact CB-CG 4.09Å; A427-W461 HydrophobicContact CB-CH2 3.78Å; A427-W461 HydrophobicContact CB-CZ2 4.18Å; A427-M470 HydrophobicContact CB-CE 3.73Å
428S90.8Very high89.1Confident0 Ų026.2 Ų26.20%016%0.155CC..EExtended strand (participates in β ladder)trans-109.4113.2172.5-175.60000110.5N430 L431 G432 I433 S451 K452S428-N430 PolarHBondContact O-N 3.45Å; S428-N430 PolarHBondContact OG-OD1 3.46Å; S428-L431 PolarHBondContact O-N 3.34Å; S428-G432 PolarHBondContact O-N 3.3Å; S428-I433 PolarHBondContact N-O 2.7Å; S428-S451 WeakPolarHBondContact CB-OG 3.37Å; S428-S451 PolarHBondContact OG-OG 3.06Å; S428-K452 WeakPolarHBondContact CA-O 3.4Å; S428-K452 PolarHBondContact OG-N 3.18Å
429I87.2Confident89.2Confident7 Ų726.1 Ų26.14%0.03616%0.155CC..THydrogen-bonded Turntrans-78.9-16.2-165.171.7-175.2000114.2K452 R454 W461 L465 L469 Q685I429-K452 HydrophobicContact CD1-CB 4.17Å; I429-K452 HydrophobicContact CG1-CB 3.67Å; I429-K452 HydrophobicContact CG1-CD 4.44Å; I429-K452 WeakPolarHBondContact CG1-O 3.43Å; I429-K452 PolarHBondContact N-O 3.19Å; I429-R454 HydrophobicContact CD1-CG 4.26Å; I429-R454 HydrophobicContact CG2-CB 4.09Å; I429-R454 HydrophobicContact CG2-CG 3.78Å; I429-W461 HydrophobicContact CG2-CH2 3.53Å; I429-W461 HydrophobicContact CG2-CZ2 4.49Å; I429-W461 HydrophobicContact CG2-CZ3 3.7Å; I429-L465 HydrophobicContact CB-CD1 4.3Å; I429-L465 HydrophobicContact CB-CD2 4.07Å; I429-L465 HydrophobicContact CD1-CD2 4.42Å; I429-L465 HydrophobicContact CG2-CD2 3.97Å; I429-L469 WeakPolarHBondContact O-CD2 3.12Å; I429-Q685 HydrophobicContact CG1-CG 4.48Å
430N87.6Confident89.3Confident7 Ų726 Ų264%0.03715%0.154CC..THydrogen-bonded Turntrans-92.1-22.4172.470.5-67.9000112.8S428 F450 S451 K452 F682 Q685 N686S428-N430 PolarHBondContact O-N 3.45Å; S428-N430 PolarHBondContact OG-OD1 3.46Å; N430-F450 PolarHBondContact ND2-O 3.02Å; N430-F450 VanDerWaalsContact ND2-O 3.1Å; N430-S451 WeakPolarHBondContact OD1-CA 3.41Å; N430-K452 HydrophobicContact CB-CD 4.29Å; N430-K452 PolarHBondContact OD1-N 3.43Å; N430-F682 WeakPolarHBondContact O-CE2 3.34Å; N430-Q685 HydrophobicContact CB-CB 3.93Å; N430-Q685 WeakPolarHBondContact CB-O 3.47Å; N430-N686 PolarHBondContact ND2-OD1 3.48Å; N430-N686 PolarHBondContact O-ND2 2.86Å; N430-N686 PolarHBondContact O-OD1 3.33Å
431L87.9Confident89.5Confident13 Ų1326 Ų267%0.06815%0.154CC..THydrogen-bonded Turntrans-99.2-21.7-179.2-63.4177.7000113.3S428 I433 H443 I478 Y511S428-L431 PolarHBondContact O-N 3.34Å; L431-I433 HydrophobicContact CB-CD1 4.15Å; L431-I433 HydrophobicContact CB-CG1 3.99Å; L431-I433 HydrophobicContact CB-CG2 4.48Å; L431-I433 HydrophobicContact CD1-CD1 3.9Å; L431-H443 WeakPolarHBondContact CD1-CE1 3.38Å; L431-I478 WeakPolarHBondContact O-CD1 3.36Å; L431-I478 VanDerWaalsContact O-CG1 3.28Å; L431-I478 WeakPolarHBondContact O-CG1 3.48Å; L431-Y511 HydrophobicContact CD1-CD1 3.93Å; L431-Y511 HydrophobicContact CD1-CE1 3.96Å; L431-Y511 HydrophobicContact CD1-CG 4.48Å
432G87.4Confident89.6Confident0 Ų023.1 Ų23.10%014%0.14CC..THydrogen-bonded Turntrans81.115.8-178.700000115.3S428S428-G432 PolarHBondContact O-N 3.3Å
433I89.9Confident89.9Confident0 Ų018.7 Ų18.70%011%0.111CC..EExtended strand (participates in β ladder)trans-109.6152.2-170.962.6179.1000114.2C417 A427 S428 L431 L435 H443 N475 I478 Y511C417-I433 HydrophobicContact CB-CB 4.02Å; C417-I433 HydrophobicContact CB-CD1 4.37Å; C417-I433 HydrophobicContact CB-CG2 4.38Å; A427-I433 CarbonylContact C-O 3.57Å; A427-I433 WeakPolarHBondContact CA-O 3.36Å; A427-I433 WeakPolarHBondContact CB-O 3.45Å; S428-I433 PolarHBondContact N-O 2.7Å; L431-I433 HydrophobicContact CB-CD1 4.15Å; L431-I433 HydrophobicContact CB-CG1 3.99Å; L431-I433 HydrophobicContact CB-CG2 4.48Å; L431-I433 HydrophobicContact CD1-CD1 3.9Å; I433-L435 HydrophobicContact CD1-CD1 4.5Å; I433-L435 HydrophobicContact CD1-CD2 3.95Å; I433-L435 HydrophobicContact CD1-CG 4.39Å; I433-L435 HydrophobicContact CG1-CD2 4.33Å; I433-L435 HydrophobicContact CG1-CG 4.32Å; I433-H443 VanDerWaalsContact CD1-CE1 3.47Å; I433-H443 WeakPolarHBondContact CD1-CE1 3.48Å; I433-N475 VanDerWaalsContact CA-OD1 3.23Å; I433-N475 WeakPolarHBondContact CA-OD1 3.31Å; I433-N475 WeakPolarHBondContact CB-OD1 3.39Å; I433-I478 HydrophobicContact CG2-CB 3.63Å; I433-I478 HydrophobicContact CG2-CG1 3.78Å; I433-I478 HydrophobicContact CG2-CG2 3.51Å; I433-Y511 HydrophobicContact CD1-CE1 4.24Å; I433-Y511 VanDerWaalsContact CD1-OH 3.26Å; I433-Y511 WeakPolarHBondContact CD1-OH 3.43Å
434T91.7Very high90.3Very high0 Ų022.4 Ų22.40%011%0.114CC..EExtended strand (participates in β ladder)trans-100.1143.5170.368.30000112.4I407 N413 C417 P424 W426 L456 N475I407-T434 HydrophobicContact CG2-CG2 3.53Å; N413-T434 HydrophobicContact CB-CG2 3.94Å; N413-T434 PolarHBondContact O-OG1 2.97Å; C417-T434 WeakPolarHBondContact CB-O 3.32Å; C417-T434 PolarHBondContact N-O 2.72Å; P424-T434 VanDerWaalsContact CG-OG1 3.23Å; P424-T434 WeakPolarHBondContact CG-OG1 3.39Å; W426-T434 CarbonylContact O-C 3.55Å; W426-T434 WeakPolarHBondContact O-CA 3.48Å; T434-L456 HydrophobicContact CG2-CD1 4.36Å; T434-N475 PolarHBondContact N-OD1 2.89Å; T434-N475 PolarHBondContact OG1-ND2 2.99Å
435L91.8Very high90.5Very high0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-139142.3-167.1-61.5173.2000110.7C417 D418 P424 W426 I433 C439 H443C417-L435 HydrophobicContact CB-CD2 4.31Å; D418-L435 WeakPolarHBondContact OD2-CD2 3.23Å; P424-L435 VanDerWaalsContact CB-C 3.42Å; P424-L435 VanDerWaalsContact CB-O 3.28Å; P424-L435 WeakPolarHBondContact CB-O 3.31Å; W426-L435 HydrophobicContact CB-CB 4.45Å; W426-L435 WeakPolarHBondContact CB-O 3.3Å; W426-L435 PolarHBondContact N-O 3.05Å; W426-L435 PolarHBondContact O-N 3.27Å; I433-L435 HydrophobicContact CD1-CD1 4.5Å; I433-L435 HydrophobicContact CD1-CD2 3.95Å; I433-L435 HydrophobicContact CD1-CG 4.39Å; I433-L435 HydrophobicContact CG1-CD2 4.33Å; I433-L435 HydrophobicContact CG1-CG 4.32Å; L435-C439 HydrophobicContact CD2-CB 4.26Å; L435-H443 HydrophobicContact CD1-CB 4.12Å; L435-H443 WeakPolarHBondContact CD2-NE2 3.36Å
436C91.9Very high90.4Very high8 Ų822.8 Ų22.85%0.05412%0.121CC..  trans-77.8164.9166.571.20000111.3C416 E421 V438 C439 S440C416-C436 HydrophobicContact CB-CB 4.03Å; C416-C436 PolarHBondContact SG-N 3.33Å; E421-C436 HydrophobicContact CB-CB 3.75Å; E421-C436 HydrophobicContact CG-CB 3.81Å; C436-V438 PolarHBondContact O-N 2.94Å; C436-C439 PolarHBondContact O-N 3.32Å; C436-C439 VanDerWaalsContact O-N 3.12Å; C436-S440 WeakPolarHBondContact O-CB 3.33Å; C436-S440 PolarHBondContact O-N 3.44Å; C436-S440 PolarHBondContact O-OG 3.28Å; C436-S440 VanDerWaalsContact O-OG 3.11Å
437I90Very high90.2Very high118 Ų11821.2 Ų21.261%0.60512%0.122SC*.Hα-helixtrans-51.8-33.1-178.9-167.6169.2000114.3W426 S440 G441W426-I437 HydrophobicContact CZ2-CD1 4.34Å; W426-I437 HydrophobicContact CZ2-CG1 4.02Å; I437-S440 WeakPolarHBondContact CA-OG 3.37Å; I437-S440 PolarHBondContact O-OG 3.43Å; I437-S440 VanDerWaalsContact O-OG 3.11Å; I437-G441 PolarHBondContact O-N 3.18Å
438V90.5Very high90Very high55 Ų5526.6 Ų26.633%0.33315%0.154SC..Hα-helixtrans-75.6-47.4179.2-176.70000111.5C436 G441 I442 R500 K503C436-V438 PolarHBondContact O-N 2.94Å; V438-G441 PolarHBondContact O-N 3.04Å; V438-I442 WeakPolarHBondContact O-CG1 3.43Å; V438-I442 PolarHBondContact O-N 2.96Å; V438-R500 HydrophobicContact CG1-CG 4.29Å; V438-K503 HydrophobicContact CG1-CD 4.15Å
439C92.2Very high89.4Confident0 Ų033.4 Ų33.40%019%0.186CC..Hα-helixtrans-71.2-37.8-179.1-63.40000111.2C416 C419 L435 C436 G441 I442 H443 I507C416-C439 VanDerWaalsContact SG-SG 3.69Å; C419-C439 PolarHBondContact SG-SG 2.89Å; L435-C439 HydrophobicContact CD2-CB 4.26Å; C436-C439 PolarHBondContact O-N 3.32Å; C436-C439 VanDerWaalsContact O-N 3.12Å; C439-G441 VanDerWaalsContact C-N 3.3Å; C439-G441 PolarHBondContact O-N 3.22Å; C439-I442 WeakPolarHBondContact O-CB 3.26Å; C439-I442 PolarHBondContact O-N 3.02Å; C439-H443 PolarHBondContact O-CD2 2.6Å; C439-H443 VanDerWaalsContact O-CD2 3.32Å; C439-H443 PolarHBondContact O-N 3.32Å; C439-I507 HydrophobicContact CB-CD1 3.86Å
440S92.6Very high89.4Confident0 Ų036.2 Ų36.20%020%0.198CC..Hα-helixtrans-63.1-36.217572.40000112.2W426 C436 I437 I442 H443 R444W426-S440 VanDerWaalsContact CD2-OG 3.24Å; C436-S440 WeakPolarHBondContact O-CB 3.33Å; C436-S440 PolarHBondContact O-N 3.44Å; C436-S440 PolarHBondContact O-OG 3.28Å; C436-S440 VanDerWaalsContact O-OG 3.11Å; I437-S440 WeakPolarHBondContact CA-OG 3.37Å; I437-S440 PolarHBondContact O-OG 3.43Å; I437-S440 VanDerWaalsContact O-OG 3.11Å; S440-I442 VanDerWaalsContact C-N 3.32Å; S440-I442 PolarHBondContact O-N 3.31Å; S440-H443 PolarHBondContact O-N 2.66Å; S440-R444 WeakPolarHBondContact O-CG 3.49Å; S440-R444 PolarHBondContact O-N 3.44Å
441G90.7Very high89.5Confident25 Ų2536 Ų3626%0.25820%0.197SC..Hα-helixtrans-63.1-33170.300000114.1I437 V438 C439 S445I437-G441 PolarHBondContact O-N 3.18Å; V438-G441 PolarHBondContact O-N 3.04Å; C439-G441 VanDerWaalsContact C-N 3.3Å; C439-G441 PolarHBondContact O-N 3.22Å; G441-S445 PolarHBondContact O-N 2.98Å
442I91.8Very high89.6Confident0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-73.8-46.2174.2-65.5162.6000110.5V438 C439 S440 R444 S445 L446 R500 K503 E504 I507V438-I442 WeakPolarHBondContact O-CG1 3.43Å; V438-I442 PolarHBondContact O-N 2.96Å; C439-I442 WeakPolarHBondContact O-CB 3.26Å; C439-I442 PolarHBondContact O-N 3.02Å; S440-I442 VanDerWaalsContact C-N 3.32Å; S440-I442 PolarHBondContact O-N 3.31Å; I442-R444 PolarHBondContact O-N 2.86Å; I442-S445 WeakPolarHBondContact O-CA 3.42Å; I442-S445 PolarHBondContact O-N 3.02Å; I442-S445 PolarHBondContact O-OG 3.19Å; I442-L446 PolarHBondContact O-N 3.08Å; I442-R500 HydrophobicContact CD1-CG 4.12Å; I442-R500 HydrophobicContact CG1-CG 4.35Å; I442-K503 HydrophobicContact CD1-CB 3.75Å; I442-E504 HydrophobicContact CD1-CB 4.1Å; I442-E504 HydrophobicContact CG1-CB 4.29Å; I442-E504 HydrophobicContact CG2-CB 4.04Å; I442-E504 HydrophobicContact CG2-CG 3.99Å; I442-I507 HydrophobicContact CB-CD1 4.02Å; I442-I507 HydrophobicContact CD1-CD1 4.02Å; I442-I507 HydrophobicContact CG2-CB 4.02Å; I442-I507 HydrophobicContact CG2-CD1 3.89Å; I442-I507 HydrophobicContact CG2-CG2 3.84Å
443H92.4Very high89.8Confident0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-56.1-38.2175.4-88.3-91000112.1D418 L431 I433 L435 C439 S440 S445 L446 S451 V453 Y511D418-H443 IonicContact OD1-NE2 2.65Å; D418-H443 PolarHBondContact OD1-NE2 2.95Å; D418-H443 IonicContact OD2-CD2 1.84Å; D418-H443 IonicContact OD2-NE2 2.8Å; D418-H443 PolarHBondContact OD2-NE2 3.42Å; L431-H443 WeakPolarHBondContact CD1-CE1 3.38Å; I433-H443 VanDerWaalsContact CD1-CE1 3.47Å; I433-H443 WeakPolarHBondContact CD1-CE1 3.48Å; L435-H443 HydrophobicContact CD1-CB 4.12Å; L435-H443 WeakPolarHBondContact CD2-NE2 3.36Å; C439-H443 PolarHBondContact O-CD2 2.6Å; C439-H443 VanDerWaalsContact O-CD2 3.32Å; C439-H443 PolarHBondContact O-N 3.32Å; S440-H443 PolarHBondContact O-N 2.66Å; H443-S445 VanDerWaalsContact C-N 3.33Å; H443-S445 PolarHBondContact O-N 3Å; H443-L446 WeakPolarHBondContact O-CB 3.38Å; H443-L446 PolarHBondContact O-N 3.33Å; H443-S451 WeakPolarHBondContact CB-OG 3.37Å; H443-S451 WeakPolarHBondContact ND1-CB 3.5Å; H443-S451 PolarHBondContact ND1-OG 3.2Å; H443-V453 HydrophobicContact CB-CG2 3.61Å; H443-Y511 AromaticContact CE1-CD1 3.69Å; H443-Y511 AromaticContact CE1-CD2 2.88Å; H443-Y511 WeakPolarHBondContact CE1-CD2 3.46Å; H443-Y511 AromaticContact CE1-CE1 3.51Å; H443-Y511 AromaticContact CE1-CE2 2.66Å; H443-Y511 WeakPolarHBondContact CE1-CE2 3.39Å; H443-Y511 AromaticContact CE1-CG 3.4Å; H443-Y511 AromaticContact CE1-CZ 3Å; H443-Y511 AromaticContact NE2-CD2 3.96Å; H443-Y511 AromaticContact NE2-CE2 3.16Å; H443-Y511 WeakPolarHBondContact NE2-CE2 3.29Å; H443-Y511 AromaticContact NE2-CZ 3.8Å
444R91.5Very high89.7Confident115 Ų11543.1 Ų43.143%0.43423%0.225SC..Hα-helixtrans-63.3-33.8172.3-71.9-178.9-167-102.211.1113.5W426 S440 I442 L446 G447 V453W426-R444 VanDerWaalsContact CZ3-NH2 3.25Å; S440-R444 WeakPolarHBondContact O-CG 3.49Å; S440-R444 PolarHBondContact O-N 3.44Å; I442-R444 PolarHBondContact O-N 2.86Å; R444-L446 VanDerWaalsContact C-N 3.33Å; R444-G447 PolarHBondContact O-N 2.94Å; R444-V453 HydrophobicContact CG-CB 3.78Å; R444-V453 HydrophobicContact CG-CG1 4.27Å; R444-V453 HydrophobicContact CG-CG2 3.86Å; R444-V453 PolarHBondContact NH1-O 2.64Å
445S91.4Very high89.6Confident61 Ų6143.3 Ų43.343%0.42723%0.226SC..Hα-helixtrans-76.5-12.5175.861.10000115.1G441 I442 H443 G447G441-S445 PolarHBondContact O-N 2.98Å; I442-S445 WeakPolarHBondContact O-CA 3.42Å; I442-S445 PolarHBondContact O-N 3.02Å; I442-S445 PolarHBondContact O-OG 3.19Å; H443-S445 VanDerWaalsContact C-N 3.33Å; H443-S445 PolarHBondContact O-N 3Å; S445-G447 VanDerWaalsContact C-N 3.34Å
446L88.1Confident89.2Confident15 Ų1543.3 Ų43.38%0.07923%0.226CC..Hα-helixtrans-73-30.5168.2-56.4-174.4000111.8I442 H443 R444 H449 F450 I507 R508 V512I442-L446 PolarHBondContact O-N 3.08Å; H443-L446 WeakPolarHBondContact O-CB 3.38Å; H443-L446 PolarHBondContact O-N 3.33Å; R444-L446 VanDerWaalsContact C-N 3.33Å; L446-H449 PolarHBondContact O-CE1 3.41Å; L446-F450 HydrophobicContact CB-CB 3.93Å; L446-F450 HydrophobicContact CB-CD2 4.1Å; L446-F450 HydrophobicContact CB-CG 4.38Å; L446-F450 HydrophobicContact CD1-CB 4.18Å; L446-I507 HydrophobicContact CD1-CG2 4.01Å; L446-R508 HydrophobicContact CD2-CG 3.89Å; L446-V512 HydrophobicContact CD1-CG2 3.98Å; L446-V512 HydrophobicContact CD2-CG2 3.91Å; L446-V512 HydrophobicContact CG-CG2 4.45Å
447G86.2Confident88.6Confident22 Ų2245.2 Ų45.223%0.22724%0.237CC..  trans94.8161.3-176.600000113.9R444 S445 H449 F450 S451R444-G447 PolarHBondContact O-N 2.94Å; S445-G447 VanDerWaalsContact C-N 3.34Å; G447-H449 PolarHBondContact O-N 3.3Å; G447-F450 PolarHBondContact O-N 3.36Å; G447-S451 PolarHBondContact O-N 2.99Å; G447-S451 VanDerWaalsContact O-N 3.14Å
448V85.9Confident88Confident112 Ų11246.4 Ų46.468%0.67924%0.244SC*.THydrogen-bonded Turntrans-65.9-9-168.4-600000115.8K452V448-K452 HydrophobicContact CB-CG 4.46Å; V448-K452 WeakPolarHBondContact O-CG 3.42Å
449H79.7Confident87.4Confident143 Ų14346.7 Ų46.766%0.66224%0.244SC*.THydrogen-bonded Turntrans-87.5-14175.558-81.7000112.9L446 G447L446-H449 PolarHBondContact O-CE1 3.41Å; G447-H449 PolarHBondContact O-N 3.3Å
450F86Confident86.4Confident66 Ų6651 Ų5129%0.28927%0.27SS..THydrogen-bonded Turntrans-105.5-45169.6-70.1-67.3000111.7N430 L446 G447 V512N430-F450 PolarHBondContact ND2-O 3.02Å; N430-F450 VanDerWaalsContact ND2-O 3.1Å; L446-F450 HydrophobicContact CB-CB 3.93Å; L446-F450 HydrophobicContact CB-CD2 4.1Å; L446-F450 HydrophobicContact CB-CG 4.38Å; L446-F450 HydrophobicContact CD1-CB 4.18Å; G447-F450 PolarHBondContact O-N 3.36Å; F450-V512 HydrophobicContact CD1-CG2 4.15Å; F450-V512 HydrophobicContact CD2-CG2 4.16Å; F450-V512 HydrophobicContact CE1-CB 4.31Å; F450-V512 HydrophobicContact CE1-CG1 4.16Å; F450-V512 HydrophobicContact CE1-CG2 4.13Å; F450-V512 HydrophobicContact CE2-CG1 4.24Å; F450-V512 HydrophobicContact CE2-CG2 4.12Å; F450-V512 HydrophobicContact CG-CG2 4.18Å; F450-V512 HydrophobicContact CZ-CB 4.33Å; F450-V512 HydrophobicContact CZ-CG1 3.77Å; F450-V512 HydrophobicContact CZ-CG2 4.13Å
451S90.4Very high85.5Confident3 Ų351.6 Ų51.62%0.02127%0.273CS..  trans-147.3127.8-174.2-164.30000112.9S428 N430 H443 G447S428-S451 WeakPolarHBondContact CB-OG 3.37Å; S428-S451 PolarHBondContact OG-OG 3.06Å; N430-S451 WeakPolarHBondContact OD1-CA 3.41Å; H443-S451 WeakPolarHBondContact CB-OG 3.37Å; H443-S451 WeakPolarHBondContact ND1-CB 3.5Å; H443-S451 PolarHBondContact ND1-OG 3.2Å; G447-S451 PolarHBondContact O-N 2.99Å; G447-S451 VanDerWaalsContact O-N 3.14Å
452K90.1Very high84.5Confident52 Ų5253.5 Ų53.523%0.22628%0.275CS..  trans-107.190.1179.8-69.8-179.4176172.10109.7S428 I429 N430 V448 Q685S428-K452 WeakPolarHBondContact CA-O 3.4Å; S428-K452 PolarHBondContact OG-N 3.18Å; I429-K452 HydrophobicContact CD1-CB 4.17Å; I429-K452 HydrophobicContact CG1-CB 3.67Å; I429-K452 HydrophobicContact CG1-CD 4.44Å; I429-K452 WeakPolarHBondContact CG1-O 3.43Å; I429-K452 PolarHBondContact N-O 3.19Å; N430-K452 HydrophobicContact CB-CD 4.29Å; N430-K452 PolarHBondContact OD1-N 3.43Å; V448-K452 HydrophobicContact CB-CG 4.46Å; V448-K452 WeakPolarHBondContact O-CG 3.42Å; K452-Q685 VanDerWaalsContact CD-OE1 3.26Å; K452-Q685 VanDerWaalsContact CE-O 3.29Å; K452-Q685 WeakPolarHBondContact CE-O 3.41Å; K452-Q685 PolarHBondContact NZ-O 2.98Å
453V90.7Very high83.1Confident4 Ų455 Ų552%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-84.2136-172.2-175.30000112.5W426 A427 H443 R444W426-V453 HydrophobicContact CE3-CG1 3.81Å; A427-V453 CarbonylContact O-C 3.46Å; A427-V453 WeakPolarHBondContact O-CA 3.42Å; H443-V453 HydrophobicContact CB-CG2 3.61Å; R444-V453 HydrophobicContact CG-CB 3.78Å; R444-V453 HydrophobicContact CG-CG1 4.27Å; R444-V453 HydrophobicContact CG-CG2 3.86Å; R444-V453 PolarHBondContact NH1-O 2.64Å
454R88.9Confident81.8Confident107 Ų10755.7 Ų55.740%0.40429%0.288SS..EExtended strand (participates in β ladder)trans-130.2156.3170.7-69.1-66.8178.4-85.44.4110.7W426 A427 I429 D459 W461W426-R454 CarbonylContact C-O 3.52Å; W426-R454 WeakPolarHBondContact CA-O 3.39Å; A427-R454 PolarHBondContact N-O 2.65Å; A427-R454 PolarHBondContact O-N 3.36Å; I429-R454 HydrophobicContact CD1-CG 4.26Å; I429-R454 HydrophobicContact CG2-CB 4.09Å; I429-R454 HydrophobicContact CG2-CG 3.78Å; R454-D459 WeakPolarHBondContact CA-OD2 3.44Å; R454-D459 HydrophobicContact CB-CB 4.45Å; R454-D459 WeakPolarHBondContact CB-OD2 3.28Å; R454-D459 WeakPolarHBondContact CD-OD2 3.44Å; R454-W461 HydrophobicContact CB-CH2 4.01Å; R454-W461 HydrophobicContact CB-CZ2 3.54Å
455S88Confident80.5Confident4 Ų450.9 Ų50.93%0.02827%0.27CS..EExtended strand (participates in β ladder)trans-87135.1169.3177.20000109.4T457 L458 D459 W461S455-T457 VanDerWaalsContact C-N 3.28Å; S455-T457 PolarHBondContact OG-N 3.2Å; S455-T457 PolarHBondContact OG-OG1 3.47Å; S455-L458 WeakPolarHBondContact OG-CB 3.35Å; S455-L458 PolarHBondContact OG-N 3.28Å; S455-D459 PolarHBondContact N-OD2 3.45Å; S455-D459 WeakPolarHBondContact O-CB 3.36Å; S455-D459 PolarHBondContact O-N 2.92Å; S455-W461 PolarHBondContact O-NE1 3.19Å
456L83.9Confident79.3Confident0 Ų048.7 Ų48.70%025%0.254CS..THydrogen-bonded Turntrans-72.6-24.1174.6-66168.5000111.9G400 L404 I407 P424 D425 A427 T434 W461G400-L456 VanDerWaalsContact O-O 3.12Å; L404-L456 HydrophobicContact CD1-CB 3.65Å; L404-L456 HydrophobicContact CD1-CD1 3.9Å; L404-L456 HydrophobicContact CD1-CG 4.41Å; I407-L456 HydrophobicContact CB-CD2 4.4Å; I407-L456 HydrophobicContact CD1-CD2 3.52Å; I407-L456 HydrophobicContact CG2-CD1 4.47Å; I407-L456 HydrophobicContact CG2-CD2 4.27Å; P424-L456 WeakPolarHBondContact O-CD1 3.35Å; D425-L456 WeakPolarHBondContact O-CB 3.46Å; D425-L456 PolarHBondContact O-N 3.14Å; A427-L456 HydrophobicContact CB-CD1 4.38Å; A427-L456 HydrophobicContact CB-CD2 3.84Å; A427-L456 HydrophobicContact CB-CG 4.09Å; T434-L456 HydrophobicContact CG2-CD1 4.36Å; L456-W461 HydrophobicContact CD2-CH2 4.07Å; L456-W461 HydrophobicContact CD2-CZ2 3.65Å; L456-W461 HydrophobicContact CG-CZ2 4.42Å
457T79.3Confident77.8Confident47 Ų4752.8 Ų52.829%0.28827%0.271SS..THydrogen-bonded Turntrans-106.1-20.5-176.152.40000114.7L404 D425 S455L404-T457 HydrophobicContact CD1-CG2 4.17Å; L404-T457 HydrophobicContact CD2-CG2 4.06Å; D425-T457 HydrophobicContact CB-CG2 4.48Å; S455-T457 VanDerWaalsContact C-N 3.28Å; S455-T457 PolarHBondContact OG-N 3.2Å; S455-T457 PolarHBondContact OG-OG1 3.47Å
458L77.1Confident76.7Confident144 Ų14456.9 Ų56.975%0.75428%0.282SS*.THydrogen-bonded Turntrans-116.1-19.8-173.6-56.9174.5000115.2S455S455-L458 WeakPolarHBondContact OG-CB 3.35Å; S455-L458 PolarHBondContact OG-N 3.28Å
459D78.9Confident75.8Confident60 Ų6051.5 Ų51.532%0.32125%0.25SS..SBendtrans-95.5147.3175.8-69.8-52.6000109.9R454 S455R454-D459 WeakPolarHBondContact CA-OD2 3.44Å; R454-D459 HydrophobicContact CB-CB 4.45Å; R454-D459 WeakPolarHBondContact CB-OD2 3.28Å; R454-D459 WeakPolarHBondContact CD-OD2 3.44Å; S455-D459 PolarHBondContact N-OD2 3.45Å; S455-D459 WeakPolarHBondContact O-CB 3.36Å; S455-D459 PolarHBondContact O-N 2.92Å
460T71.1Confident75.5Confident90 Ų9044.7 Ų44.755%0.55222%0.219SC*.  trans-77.8134.4169-43.90000109.7Q396Q396-T460 PolarHBondContact NE2-OG1 3.46Å
461W73.8Confident74.8Confident14 Ų1443.7 Ų43.75%0.05322%0.219CC..  trans-114.1131.2-174.5-75.180.6000111.7A427 I429 R454 S455 L456 L465 I466 M470A427-W461 HydrophobicContact CB-CH2 3.78Å; A427-W461 HydrophobicContact CB-CZ2 4.18Å; I429-W461 HydrophobicContact CG2-CH2 3.53Å; I429-W461 HydrophobicContact CG2-CZ2 4.49Å; I429-W461 HydrophobicContact CG2-CZ3 3.7Å; R454-W461 HydrophobicContact CB-CH2 4.01Å; R454-W461 HydrophobicContact CB-CZ2 3.54Å; S455-W461 PolarHBondContact O-NE1 3.19Å; L456-W461 HydrophobicContact CD2-CH2 4.07Å; L456-W461 HydrophobicContact CD2-CZ2 3.65Å; L456-W461 HydrophobicContact CG-CZ2 4.42Å; W461-L465 HydrophobicContact CE3-CD2 3.8Å; W461-L465 HydrophobicContact CE3-CG 4.17Å; W461-L465 HydrophobicContact CZ3-CD2 3.81Å; W461-L465 HydrophobicContact CZ3-CG 4.1Å; W461-I466 HydrophobicContact CB-CD1 3.56Å; W461-I466 HydrophobicContact CB-CG1 3.76Å; W461-I466 HydrophobicContact CD2-CG1 4.4Å; W461-I466 HydrophobicContact CE3-CG1 4.07Å; W461-I466 HydrophobicContact CG-CD1 4.37Å; W461-I466 HydrophobicContact CG-CG1 4.31Å; W461-M470 HydrophobicContact CZ3-CG 4.07Å; W461-M470 HydrophobicContact CZ3-SD 4.5Å
462E68.5Low74Confident65 Ų6547.7 Ų47.730%0.30424%0.237SC..  trans-73.5133.5172.8-62.9-170.7128.600110E464 L465 I466 K718E462-E464 PolarHBondContact O-N 3.33Å; E462-L465 WeakPolarHBondContact O-CB 3.38Å; E462-L465 PolarHBondContact O-N 2.88Å; E462-I466 PolarHBondContact O-N 2.87Å; E462-K718 IonicContact OE1-NZ 2.99Å; E462-K718 PolarHBondContact OE1-NZ 3.02Å
463P64.1Low73.3Confident31 Ų3145.2 Ų45.220%0.20123%0.227CC..Hα-helixtrans-56.5-26.1-177.2-29.235.7000114.9K467P463-K467 WeakPolarHBondContact O-CB 3.42Å; P463-K467 WeakPolarHBondContact O-CG 3.14Å; P463-K467 PolarHBondContact O-N 2.98Å
464E63.2Low72.8Confident14 Ų1445.1 Ų45.17%0.06523%0.227CC..Hα-helixtrans-64.5-39.1176-68.2164.5-156.400111.9E462 L677 S781 S785E462-E464 PolarHBondContact O-N 3.33Å; E464-L677 HydrophobicContact CG-CD2 4.04Å; E464-S781 WeakPolarHBondContact OE1-CB 3.46Å; E464-S785 VanDerWaalsContact CG-CB 3.44Å; E464-S785 WeakPolarHBondContact CG-OG 3.43Å; E464-S785 PolarHBondContact OE1-OG 3.46Å
465L65.5Low72.7Confident14 Ų1440.1 Ų40.17%0.07321%0.208CC..Iπ-helixtrans-76.5-37.7-178.6-169.466.1000111.5I429 W461 E462 L469 M470 E681I429-L465 HydrophobicContact CB-CD1 4.3Å; I429-L465 HydrophobicContact CB-CD2 4.07Å; I429-L465 HydrophobicContact CD1-CD2 4.42Å; I429-L465 HydrophobicContact CG2-CD2 3.97Å; W461-L465 HydrophobicContact CE3-CD2 3.8Å; W461-L465 HydrophobicContact CE3-CG 4.17Å; W461-L465 HydrophobicContact CZ3-CD2 3.81Å; W461-L465 HydrophobicContact CZ3-CG 4.1Å; E462-L465 WeakPolarHBondContact O-CB 3.38Å; E462-L465 PolarHBondContact O-N 2.88Å; L465-L469 HydrophobicContact CD1-CB 4.43Å; L465-L469 HydrophobicContact CD1-CD2 3.86Å; L465-M470 WeakPolarHBondContact O-CG 3.37Å; L465-M470 PolarHBondContact O-N 3.34Å; L465-M470 VanDerWaalsContact O-N 3.08Å; L465-E681 HydrophobicContact CD1-CG 4.15Å
466I65.7Low72.6Confident16 Ų1642.1 Ų42.18%0.08222%0.222CC..Iπ-helixtrans-68.7-68.2174.1-57.9169.5000110A403 E406 I407 W461 E462 K468 M470 C471A403-I466 HydrophobicContact CB-CD1 3.63Å; A403-I466 HydrophobicContact CB-CG1 4.36Å; E406-I466 HydrophobicContact CB-CG2 4.25Å; E406-I466 WeakPolarHBondContact OE2-CG2 3.45Å; I407-I466 HydrophobicContact CD1-CG1 4.4Å; I407-I466 HydrophobicContact CD1-CG2 4.14Å; I407-I466 HydrophobicContact CG1-CG2 4.05Å; W461-I466 HydrophobicContact CB-CD1 3.56Å; W461-I466 HydrophobicContact CB-CG1 3.76Å; W461-I466 HydrophobicContact CD2-CG1 4.4Å; W461-I466 HydrophobicContact CE3-CG1 4.07Å; W461-I466 HydrophobicContact CG-CD1 4.37Å; W461-I466 HydrophobicContact CG-CG1 4.31Å; E462-I466 PolarHBondContact O-N 2.87Å; I466-K468 VanDerWaalsContact C-N 3.31Å; I466-K468 PolarHBondContact O-N 2.99Å; I466-M470 PolarHBondContact O-N 3.17Å; I466-C471 PolarHBondContact O-N 2.93Å; I466-C471 PolarHBondContact O-SG 3.49Å
467K56.8Low72.6Confident100 Ų10043.8 Ų43.844%0.43523%0.232SC..Iπ-helixtrans-71-20.9-159.1-69-175.1178179.90115P463 C471 N786P463-K467 WeakPolarHBondContact O-CB 3.42Å; P463-K467 WeakPolarHBondContact O-CG 3.14Å; P463-K467 PolarHBondContact O-N 2.98Å; K467-C471 WeakPolarHBondContact O-CB 3.34Å; K467-N786 PolarHBondContact NZ-OD1 2.76Å
468K62.2Low73Confident108 Ų10841.6 Ų41.647%0.4722%0.219SC..Iπ-helixtrans-117.4-46.4-178.5-65.9-165.6172-166.10112.5I466 E472 A678I466-K468 VanDerWaalsContact C-N 3.31Å; I466-K468 PolarHBondContact O-N 2.99Å; K468-E472 WeakPolarHBondContact O-CB 3.33Å; K468-E472 WeakPolarHBondContact O-CG 3.43Å; K468-E472 PolarHBondContact O-N 2.91Å; K468-A678 HydrophobicContact CB-CB 3.66Å; K468-A678 HydrophobicContact CD-CB 3.93Å; K468-A678 HydrophobicContact CG-CB 4.44Å
469L67.4Low73.5Confident0 Ų036.2 Ų36.20%019%0.191CC..Iπ-helixtrans-80-56-175.5-168.358.8000113.7I429 L465 C471 E472 L473 F642 F682I429-L469 WeakPolarHBondContact O-CD2 3.12Å; L465-L469 HydrophobicContact CD1-CB 4.43Å; L465-L469 HydrophobicContact CD1-CD2 3.86Å; L469-C471 VanDerWaalsContact C-N 3.29Å; L469-C471 PolarHBondContact O-N 2.63Å; L469-E472 PolarHBondContact O-N 2.64Å; L469-L473 HydrophobicContact CD1-CD1 3.56Å; L469-L473 HydrophobicContact CD1-CG 4.38Å; L469-L473 HydrophobicContact CG-CD1 4.29Å; L469-L473 PolarHBondContact O-N 3.47Å; L469-F642 HydrophobicContact CD1-CD1 3.63Å; L469-F642 HydrophobicContact CD1-CE1 3.92Å; L469-F642 HydrophobicContact CD1-CG 4.37Å; L469-F682 HydrophobicContact CD1-CB 3.73Å; L469-F682 HydrophobicContact CD1-CD2 3.62Å; L469-F682 HydrophobicContact CD1-CG 3.97Å; L469-F682 HydrophobicContact CD2-CB 4.17Å; L469-F682 HydrophobicContact CD2-CD2 4.06Å; L469-F682 HydrophobicContact CG-CD2 4.39Å
470M74.6Confident73.9Confident0 Ų042.8 Ų42.80%021%0.211CC..Iπ-helixtrans-65.9-34.3-179.8-67.6-62.8-5500111.7I407 I410 A427 W461 L465 I466 E472I407-M470 HydrophobicContact CD1-CB 3.94Å; I407-M470 HydrophobicContact CD1-CG 4Å; I407-M470 HydrophobicContact CG1-CB 4Å; I407-M470 HydrophobicContact CG2-CE 4.13Å; I410-M470 WeakPolarHBondContact CD1-O 3.36Å; A427-M470 HydrophobicContact CB-CE 3.73Å; W461-M470 HydrophobicContact CZ3-CG 4.07Å; W461-M470 HydrophobicContact CZ3-SD 4.5Å; L465-M470 WeakPolarHBondContact O-CG 3.37Å; L465-M470 PolarHBondContact O-N 3.34Å; L465-M470 VanDerWaalsContact O-N 3.08Å; I466-M470 PolarHBondContact O-N 3.17Å; M470-E472 PolarHBondContact O-N 3.37Å
471C71.6Confident74.5Confident45 Ų4539.1 Ų39.130%0.30419%0.188SC..Hα-helixtrans-61.8-34.6175.8-71.80000114.9I410 I466 K467 L469I410-C471 VanDerWaalsContact CD1-CA 3.47Å; I410-C471 HydrophobicContact CD1-CB 4.37Å; I466-C471 PolarHBondContact O-N 2.93Å; I466-C471 PolarHBondContact O-SG 3.49Å; K467-C471 WeakPolarHBondContact O-CB 3.34Å; L469-C471 VanDerWaalsContact C-N 3.29Å; L469-C471 PolarHBondContact O-N 2.63Å
472E72.3Confident75Confident86 Ų8639.2 Ų39.240%0.40219%0.188SC..Hα-helixtrans-97.9-25.1-171.3-64-179.4-132.300113.3K468 L469 M470 F642K468-E472 WeakPolarHBondContact O-CB 3.33Å; K468-E472 WeakPolarHBondContact O-CG 3.43Å; K468-E472 PolarHBondContact O-N 2.91Å; L469-E472 PolarHBondContact O-N 2.64Å; M470-E472 PolarHBondContact O-N 3.37Å; E472-F642 HydrophobicContact CB-CD2 4.02Å; E472-F642 HydrophobicContact CG-CD2 4.5Å; E472-F642 WeakPolarHBondContact OE2-CD2 3.47Å; E472-F642 VanDerWaalsContact OE2-CE2 3.24Å; E472-F642 WeakPolarHBondContact OE2-CE2 3.24Å
473L75Confident75.7Confident0 Ų037.3 Ų37.30%018%0.179CC..SBendtrans-997.1-177-78176.1000116.1L469 I478 F642 A646 F682L469-L473 HydrophobicContact CD1-CD1 3.56Å; L469-L473 HydrophobicContact CD1-CG 4.38Å; L469-L473 HydrophobicContact CG-CD1 4.29Å; L469-L473 PolarHBondContact O-N 3.47Å; L473-I478 VanDerWaalsContact O-CG1 3.27Å; L473-I478 WeakPolarHBondContact O-CG1 3.39Å; L473-F642 HydrophobicContact CD1-CB 4.24Å; L473-F642 HydrophobicContact CD2-CB 3.77Å; L473-F642 WeakPolarHBondContact CD2-O 3.26Å; L473-F642 HydrophobicContact CG-CB 3.78Å; L473-A646 HydrophobicContact CD2-CB 3.73Å; L473-F682 HydrophobicContact CD1-CD2 3.82Å; L473-F682 HydrophobicContact CD1-CE2 3.47Å; L473-F682 VanDerWaalsContact CD1-CE2 3.47Å; L473-F682 HydrophobicContact CD1-CZ 4.26Å
474G81.3Confident76.4Confident2 Ų238.2 Ų38.22%0.02119%0.189CC..THydrogen-bonded Turntrans-49.4162.2-167.100000116.9N413 S476 V477N413-G474 WeakPolarHBondContact OD1-CA 3.47Å; G474-S476 PolarHBondContact O-N 3.31Å; G474-V477 WeakPolarHBondContact O-CB 3.47Å; G474-V477 PolarHBondContact O-N 3.42Å
475N87.6Confident76.8Confident3 Ų340.9 Ų40.92%0.01620%0.199CC..Hα-helixtrans-43.6-35.8-165.1-70.8-8.9000116.2G412 N413 Q415 C417 I433 T434 N479G412-N475 PolarHBondContact O-ND2 3.25Å; G412-N475 VanDerWaalsContact O-ND2 3.13Å; N413-N475 WeakPolarHBondContact OD1-CB 3.35Å; N413-N475 VanDerWaalsContact OD1-CG 3.29Å; N413-N475 PolarHBondContact OD1-N 2.85Å; Q415-N475 PolarHBondContact O-ND2 3.01Å; C417-N475 HydrophobicContact CB-CB 4.38Å; C417-N475 PolarHBondContact N-ND2 3.14Å; I433-N475 VanDerWaalsContact CA-OD1 3.23Å; I433-N475 WeakPolarHBondContact CA-OD1 3.31Å; I433-N475 WeakPolarHBondContact CB-OD1 3.39Å; T434-N475 PolarHBondContact N-OD1 2.89Å; T434-N475 PolarHBondContact OG1-ND2 2.99Å; N475-N479 VanDerWaalsContact O-CB 3.27Å; N475-N479 WeakPolarHBondContact O-CB 3.3Å; N475-N479 PolarHBondContact O-N 3.02Å; N475-N479 PolarHBondContact O-ND2 3.46Å
476S84.3Confident77Confident45 Ų4542 Ų4232%0.31521%0.205SC..Hα-helixtrans-62-39175.6-62.40000113.4S411 G474 R480S411-S476 WeakPolarHBondContact O-CB 3.03Å; S411-S476 PolarHBondContact O-OG 3.4Å; G474-S476 PolarHBondContact O-N 3.31Å; S476-R480 VanDerWaalsContact O-CG 3.26Å; S476-R480 WeakPolarHBondContact O-CG 3.31Å; S476-R480 PolarHBondContact O-N 3.38Å; S476-R480 VanDerWaalsContact O-N 3.09Å
477V85.1Confident76.8Confident35 Ų3549.2 Ų49.221%0.21224%0.243CC..Hα-helixtrans-70.2-50.6178.2179.40000110.2G474 N479 R480 I481 P643G474-V477 WeakPolarHBondContact O-CB 3.47Å; G474-V477 PolarHBondContact O-N 3.42Å; V477-N479 VanDerWaalsContact C-N 3.3Å; V477-N479 PolarHBondContact O-N 3.39Å; V477-R480 WeakPolarHBondContact O-CB 3.26Å; V477-R480 PolarHBondContact O-N 2.88Å; V477-I481 HydrophobicContact CG1-CD1 4.2Å; V477-I481 PolarHBondContact O-N 2.9Å; V477-I481 VanDerWaalsContact O-N 3.16Å; V477-P643 HydrophobicContact CG1-CB 3.82Å; V477-P643 HydrophobicContact CG1-CG 4.04Å
478I87.4Confident76.9Confident2 Ų250.5 Ų50.51%0.0125%0.251CS..Hα-helixtrans-65.6-33.6-179.5-68.1-74000111.8L431 I433 L473 I481 Y482 Y511 A646L431-I478 WeakPolarHBondContact O-CD1 3.36Å; L431-I478 VanDerWaalsContact O-CG1 3.28Å; L431-I478 WeakPolarHBondContact O-CG1 3.48Å; I433-I478 HydrophobicContact CG2-CB 3.63Å; I433-I478 HydrophobicContact CG2-CG1 3.78Å; I433-I478 HydrophobicContact CG2-CG2 3.51Å; L473-I478 VanDerWaalsContact O-CG1 3.27Å; L473-I478 WeakPolarHBondContact O-CG1 3.39Å; I478-I481 PolarHBondContact O-N 2.91Å; I478-Y482 HydrophobicContact CD1-CE2 4.38Å; I478-Y482 HydrophobicContact CG2-CD2 3.85Å; I478-Y482 HydrophobicContact CG2-CE2 4.47Å; I478-Y482 WeakPolarHBondContact O-CB 3.47Å; I478-Y482 PolarHBondContact O-N 3.33Å; I478-Y511 HydrophobicContact CG2-CE1 4.25Å; I478-A646 HydrophobicContact CD1-CB 4.15Å
479N88.2Confident76.9Confident31 Ų3147.3 Ų47.317%0.16624%0.239CC..Hα-helixtrans-67.9-38.9170.7-71-17.1000111.9C417 N475 V477 I481 E483 K493 K510C417-N479 PolarHBondContact O-ND2 3.4Å; C417-N479 PolarHBondContact SG-OD1 3.4Å; N475-N479 VanDerWaalsContact O-CB 3.27Å; N475-N479 WeakPolarHBondContact O-CB 3.3Å; N475-N479 PolarHBondContact O-N 3.02Å; N475-N479 PolarHBondContact O-ND2 3.46Å; V477-N479 VanDerWaalsContact C-N 3.3Å; V477-N479 PolarHBondContact O-N 3.39Å; N479-I481 PolarHBondContact O-N 3.16Å; N479-E483 HydrophobicContact CB-CB 4.37Å; N479-E483 HydrophobicContact CB-CG 4.27Å; N479-E483 CarbonylContact O-C 3.53Å; N479-E483 VanDerWaalsContact O-CA 3.24Å; N479-E483 WeakPolarHBondContact O-CA 3.25Å; N479-E483 WeakPolarHBondContact O-CB 3.39Å; N479-E483 PolarHBondContact O-N 2.93Å; N479-E483 PolarHBondContact OD1-OE1 2.96Å; N479-K493 PolarHBondContact ND2-NZ 3.43Å; N479-K510 PolarHBondContact OD1-NZ 3.32Å
480R85.9Confident76.6Confident197 Ų19754.6 Ų54.674%0.74328%0.283SS*.Hα-helixtrans-57.5-32.7173.2-74.8166.2-178.3-1740.2113.2S476 V477 A484S476-R480 VanDerWaalsContact O-CG 3.26Å; S476-R480 WeakPolarHBondContact O-CG 3.31Å; S476-R480 PolarHBondContact O-N 3.38Å; S476-R480 VanDerWaalsContact O-N 3.09Å; V477-R480 WeakPolarHBondContact O-CB 3.26Å; V477-R480 PolarHBondContact O-N 2.88Å; R480-A484 WeakPolarHBondContact O-CB 3.33Å
481I84Confident76.3Confident14 Ų1458.3 Ų58.37%0.07230%0.302CS..Hα-helixtrans-82.1-57.6177.9-63.6163.3000111.2V477 I478 N479 A646 D647 A650V477-I481 HydrophobicContact CG1-CD1 4.2Å; V477-I481 PolarHBondContact O-N 2.9Å; V477-I481 VanDerWaalsContact O-N 3.16Å; I478-I481 PolarHBondContact O-N 2.91Å; N479-I481 PolarHBondContact O-N 3.16Å; I481-A646 HydrophobicContact CD1-CB 4.15Å; I481-D647 HydrophobicContact CD1-CB 4.11Å; I481-D647 HydrophobicContact CG1-CB 4.25Å; I481-D647 HydrophobicContact CG2-CB 4.44Å; I481-A650 HydrophobicContact CG2-CB 3.51Å
482Y83.8Confident76.2Confident15 Ų1565.3 Ų65.36%0.05933%0.327CS..Hα-helixtrans-88.7-3.6-170.4-76.1-94.3000114.7I478 K510 Y511 K514 F516 I517 A650I478-Y482 HydrophobicContact CD1-CE2 4.38Å; I478-Y482 HydrophobicContact CG2-CD2 3.85Å; I478-Y482 HydrophobicContact CG2-CE2 4.47Å; I478-Y482 WeakPolarHBondContact O-CB 3.47Å; I478-Y482 PolarHBondContact O-N 3.33Å; Y482-K510 WeakPolarHBondContact CD1-O 3.37Å; Y482-Y511 AromaticContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CE1 4.33Å; Y482-Y511 AromaticContact CE1-CD1 3.97Å; Y482-Y511 HydrophobicContact CE1-CD1 3.97Å; Y482-Y511 HydrophobicContact CG-CD1 4.33Å; Y482-Y511 HydrophobicContact CG-CE1 4.29Å; Y482-K514 HydrophobicContact CE1-CG 4.46Å; Y482-F516 WeakPolarHBondContact O-CB 3.22Å; Y482-I517 HydrophobicContact CD1-CD1 4.22Å; Y482-I517 HydrophobicContact CD1-CG1 4.45Å; Y482-I517 HydrophobicContact CE1-CD1 4.22Å; Y482-A650 HydrophobicContact CD2-CB 4.43Å; Y482-A650 HydrophobicContact CE1-CB 4.09Å; Y482-A650 HydrophobicContact CE2-CB 3.68Å; Y482-A650 VanDerWaalsContact CZ-CB 3.48Å; Y482-A650 WeakPolarHBondContact OH-CA 3.24Å; Y482-A650 WeakPolarHBondContact OH-CB 3.25Å
483E84.7Confident76.6Confident25 Ų2564.9 Ų64.912%0.11732%0.324CS..THydrogen-bonded Turntrans-125.511.5177-59.5-171.7170.800112.3N479 R485 I486 K493 W506 K510N479-E483 HydrophobicContact CB-CB 4.37Å; N479-E483 HydrophobicContact CB-CG 4.27Å; N479-E483 CarbonylContact O-C 3.53Å; N479-E483 VanDerWaalsContact O-CA 3.24Å; N479-E483 WeakPolarHBondContact O-CA 3.25Å; N479-E483 WeakPolarHBondContact O-CB 3.39Å; N479-E483 PolarHBondContact O-N 2.93Å; N479-E483 PolarHBondContact OD1-OE1 2.96Å; E483-R485 PolarHBondContact O-N 3.04Å; E483-I486 HydrophobicContact CB-CD1 3.51Å; E483-I486 HydrophobicContact CB-CG1 3.94Å; E483-I486 HydrophobicContact CG-CD1 3.84Å; E483-I486 WeakPolarHBondContact O-CG1 3.24Å; E483-I486 PolarHBondContact O-N 3.38Å; E483-I486 VanDerWaalsContact O-N 3.12Å; E483-K493 WeakPolarHBondContact OE1-CE 3.47Å; E483-K493 IonicContact OE1-NZ 3.98Å; E483-K493 PolarHBondContact OE1-NZ 2.86Å; E483-K493 IonicContact OE2-NZ 2.74Å; E483-K493 PolarHBondContact OE2-NZ 3.07Å; E483-W506 HydrophobicContact CG-CZ2 4.48Å; E483-K510 HydrophobicContact CG-CD 4.17Å; E483-K510 WeakPolarHBondContact OE1-CE 3.38Å; E483-K510 IonicContact OE1-NZ 3.61Å; E483-K510 PolarHBondContact OE1-NZ 2.93Å
484A77.1Confident77.1Confident50 Ų5065.5 Ų65.541%0.41333%0.328SS..THydrogen-bonded Turntrans-51.2-34.9-174.600000115.1R480 F516 Q518R480-A484 WeakPolarHBondContact O-CB 3.33Å; A484-F516 PolarHBondContact N-O 3.49Å; A484-Q518 HydrophobicContact CB-CB 4.01Å
485R72.1Confident77.1Confident71 Ų7171.1 Ų71.127%0.26835%0.354SS..THydrogen-bonded Turntrans-109.123.3-176.7-62.2-176.966.7-138.1-2.2114.3E483 D487 E488 I489 F516 I517 Q518E483-R485 PolarHBondContact O-N 3.04Å; R485-D487 VanDerWaalsContact C-N 3.29Å; R485-D487 PolarHBondContact O-N 3.43Å; R485-E488 IonicContact CZ-OE2 2.72Å; R485-E488 IonicContact NE-OE2 2.62Å; R485-E488 PolarHBondContact NE-OE2 3.29Å; R485-E488 IonicContact NH2-OE2 3.75Å; R485-E488 PolarHBondContact NH2-OE2 2.95Å; R485-E488 PolarHBondContact O-N 2.72Å; R485-I489 HydrophobicContact CB-CD1 4.11Å; R485-I489 WeakPolarHBondContact O-CG1 3.49Å; R485-I489 PolarHBondContact O-N 3.5Å; R485-F516 WeakPolarHBondContact CB-O 3.32Å; R485-F516 PolarHBondContact N-O 3.36Å; R485-I517 VanDerWaalsContact CD-O 3.25Å; R485-I517 WeakPolarHBondContact CD-O 3.27Å; R485-Q518 HydrophobicContact CG-CB 4.35Å
486I70.3Confident77Confident38 Ų3872.6 Ų72.620%0.19536%0.364CS..THydrogen-bonded Turntrans-57.3-43.7174.2-73.9-178.2000111E483 E488 I489 W506E483-I486 HydrophobicContact CB-CD1 3.51Å; E483-I486 HydrophobicContact CB-CG1 3.94Å; E483-I486 HydrophobicContact CG-CD1 3.84Å; E483-I486 WeakPolarHBondContact O-CG1 3.24Å; E483-I486 PolarHBondContact O-N 3.38Å; E483-I486 VanDerWaalsContact O-N 3.12Å; I486-E488 PolarHBondContact O-N 3.15Å; I486-I489 CarbonylContact O-C 2.9Å; I486-I489 PolarHBondContact O-N 3.24Å; I486-W506 HydrophobicContact CD1-CH2 3.47Å; I486-W506 VanDerWaalsContact CD1-CH2 3.47Å; I486-W506 HydrophobicContact CD1-CZ2 3.7Å; I486-W506 HydrophobicContact CG1-CH2 3.9Å; I486-W506 HydrophobicContact CG1-CZ2 4.49Å
487D60.4Low76.9Confident167 Ų16775.3 Ų75.389%0.89338%0.382SS*.THydrogen-bonded Turntrans-68.7-20.5-173.5-63-35.6000113.6R485R485-D487 VanDerWaalsContact C-N 3.29Å; R485-D487 PolarHBondContact O-N 3.43Å
488E59.3Low77.1Confident127 Ų12775.1 Ų75.159%0.59338%0.382SS*.THydrogen-bonded Turntrans-85.8-18.1173.7-61.9-173.7172.600113.5R485 I486R485-E488 IonicContact CZ-OE2 2.72Å; R485-E488 IonicContact NE-OE2 2.62Å; R485-E488 PolarHBondContact NE-OE2 3.29Å; R485-E488 IonicContact NH2-OE2 3.75Å; R485-E488 PolarHBondContact NH2-OE2 2.95Å; R485-E488 PolarHBondContact O-N 2.72Å; I486-E488 PolarHBondContact O-N 3.15Å
489I62.6Low77.1Confident41 Ų4178.9 Ų78.921%0.2141%0.407CS..SBendtrans-118.1119.8-168.8-63.6170.1000108.4R485 I486 I491 F516R485-I489 HydrophobicContact CB-CD1 4.11Å; R485-I489 WeakPolarHBondContact O-CG1 3.49Å; R485-I489 PolarHBondContact O-N 3.5Å; I486-I489 CarbonylContact O-C 2.9Å; I486-I489 PolarHBondContact O-N 3.24Å; I489-I491 HydrophobicContact CG2-CB 4.29Å; I489-I491 HydrophobicContact CG2-CD1 3.79Å; I489-I491 HydrophobicContact CG2-CG1 3.86Å; I489-I491 PolarHBondContact O-N 3.04Å; I489-F516 HydrophobicContact CD1-CD1 4Å; I489-F516 HydrophobicContact CG2-CD1 4.43Å; I489-F516 HydrophobicContact CG2-CE1 4.28Å
490T60.6Low77.1Confident152 Ų15284.3 Ų84.393%0.93343%0.425SS*.  trans-72.630.1-168-13.90000115.6
491I69.1Low77.1Confident78 Ų7877.1 Ų77.140%0.441%0.413SS..  trans-103.3115.5-178.8-58.4174.6000108.8I489 W506 F516I489-I491 HydrophobicContact CG2-CB 4.29Å; I489-I491 HydrophobicContact CG2-CD1 3.79Å; I489-I491 HydrophobicContact CG2-CG1 3.86Å; I489-I491 PolarHBondContact O-N 3.04Å; I491-W506 HydrophobicContact CB-CZ3 4.48Å; I491-W506 HydrophobicContact CG2-CE3 3.99Å; I491-W506 HydrophobicContact CG2-CZ3 3.78Å; I491-F516 HydrophobicContact CD1-CE1 4.2Å
492K69.3Low77.3Confident193 Ų19380.9 Ų80.984%0.83943%0.433SS*.PPolyproline II helixtrans-77.3136.1179-64.9-176178.2-177.50111.4
493K81.1Confident77.5Confident76 Ų7680.5 Ų80.533%0.3343%0.432SS..PPolyproline II helixtrans-59.7135.8172.1-170.9166.6-176.1158.30110.6C417 D418 N479 E483 W506C417-K493 WeakPolarHBondContact O-CE 3.37Å; C417-K493 PolarHBondContact O-NZ 2.91Å; D418-K493 WeakPolarHBondContact O-CE 3.35Å; N479-K493 PolarHBondContact ND2-NZ 3.43Å; E483-K493 WeakPolarHBondContact OE1-CE 3.47Å; E483-K493 IonicContact OE1-NZ 3.98Å; E483-K493 PolarHBondContact OE1-NZ 2.86Å; E483-K493 IonicContact OE2-NZ 2.74Å; E483-K493 PolarHBondContact OE2-NZ 3.07Å; K493-W506 HydrophobicContact CB-CH2 4.02Å; K493-W506 HydrophobicContact CB-CZ2 3.99Å; K493-W506 HydrophobicContact CD-CZ2 4.19Å; K493-W506 HydrophobicContact CG-CH2 4.36Å; K493-W506 HydrophobicContact CG-CZ2 3.81Å
494P84.8Confident77.8Confident14 Ų1481.7 Ų81.79%0.09144%0.437CS..PPolyproline II helixtrans-68.6147.3-178.927.9-35.7000112.3C419 K503 W506C419-P494 WeakPolarHBondContact CA-O 3.37Å; C419-P494 HydrophobicContact CB-CG 4.35Å; P494-K503 HydrophobicContact CB-CG 3.97Å; P494-K503 HydrophobicContact CG-CG 4.26Å; P494-W506 VanDerWaalsContact CD-CD2 3.44Å; P494-W506 VanDerWaalsContact CD-CG 3.41Å; P494-W506 HydrophobicContact CG-CB 3.88Å; P494-W506 HydrophobicContact CG-CD2 4.33Å; P494-W506 HydrophobicContact CG-CG 3.76Å
495H82Confident78.3Confident120 Ų12082.9 Ų82.956%0.55644%0.442SS*.PPolyproline II helixtrans-91.1162.9179.1-168.2-106.5000110.7C419 S497 S498 K503C419-H495 CarbonylContact O-C 3.58Å; H495-S497 PolarHBondContact ND1-OG 3.16Å; H495-S497 PolarHBondContact O-N 3.38Å; H495-S497 VanDerWaalsContact O-N 3.17Å; H495-S498 PolarHBondContact N-OG 3.43Å; H495-S498 WeakPolarHBondContact O-CB 3.27Å; H495-S498 PolarHBondContact O-N 2.8Å; H495-S498 PolarHBondContact O-OG 3.25Å; H495-K503 WeakPolarHBondContact O-CE 3.43Å
496P84.1Confident79.1Confident34 Ų3479.9 Ų79.922%0.22143%0.431CS..THydrogen-bonded Turntrans-48-40.2170.4-37.143.2000114.1C419 E421 S498 K503C419-P496 WeakPolarHBondContact O-CD 3.36Å; C419-P496 WeakPolarHBondContact O-CG 3.17Å; E421-P496 WeakPolarHBondContact OE2-CB 3.32Å; P496-S498 PolarHBondContact O-N 2.98Å; P496-K503 PolarHBondContact O-NZ 3.14Å
497S83.9Confident80.1Confident101 Ų10178 Ų7871%0.70642%0.422SS*.THydrogen-bonded Turntrans-80.2-317856.90000115.8H495H495-S497 PolarHBondContact ND1-OG 3.16Å; H495-S497 PolarHBondContact O-N 3.38Å; H495-S497 VanDerWaalsContact O-N 3.17Å
498S87.8Confident81.5Confident31 Ų3174.8 Ų74.822%0.21740%0.397CS..SBendtrans-68.2142.8-179.4-67.10000112.4H495 P496 K503H495-S498 PolarHBondContact N-OG 3.43Å; H495-S498 WeakPolarHBondContact O-CB 3.27Å; H495-S498 PolarHBondContact O-N 2.8Å; H495-S498 PolarHBondContact O-OG 3.25Å; P496-S498 PolarHBondContact O-N 2.98Å; S498-K503 WeakPolarHBondContact O-CE 3.25Å
499P88.1Confident82.9Confident82 Ų8269.2 Ų69.253%0.53237%0.372SS..  trans-50.9151.4172.4-28.134000114.2G501 D502 K503P499-G501 PolarHBondContact O-N 2.87Å; P499-D502 WeakPolarHBondContact CD-OD2 3.08Å; P499-D502 PolarHBondContact O-N 2.91Å; P499-K503 PolarHBondContact O-N 3.34Å
500R87.7Confident84.2Confident144 Ų14467.2 Ų67.254%0.54336%0.362SS..Hα-helixtrans-57.6-35.3178.4-175.3-179.7172.9176.2-0.2112.8V438 I442 K503 E504V438-R500 HydrophobicContact CG1-CG 4.29Å; I442-R500 HydrophobicContact CD1-CG 4.12Å; I442-R500 HydrophobicContact CG1-CG 4.35Å; R500-K503 PolarHBondContact O-N 3.05Å; R500-E504 WeakPolarHBondContact O-CB 3.38Å; R500-E504 PolarHBondContact O-N 3.33Å
501G86.7Confident85.5Confident47 Ų4760.4 Ų60.449%0.48532%0.319SS..Hα-helixtrans-63.2-41.9179.100000113.3P499 E504 S505P499-G501 PolarHBondContact O-N 2.87Å; G501-E504 PolarHBondContact O-N 2.85Å; G501-S505 PolarHBondContact O-N 3.13Å
502D87.2Confident86.4Confident93 Ų9359 Ų5950%0.49731%0.314SS..Hα-helixtrans-68.1-42.1178.1-57.1-25.9000110.8P499 E504 S505 W506P499-D502 WeakPolarHBondContact CD-OD2 3.08Å; P499-D502 PolarHBondContact O-N 2.91Å; D502-E504 VanDerWaalsContact C-N 3.29Å; D502-E504 PolarHBondContact O-N 3.05Å; D502-S505 PolarHBondContact O-N 2.95Å; D502-W506 WeakPolarHBondContact O-CB 3.33Å; D502-W506 PolarHBondContact O-N 3.4Å
503K89Confident87.1Confident6 Ų654.7 Ų54.73%0.02630%0.297CS..Hα-helixtrans-60-38.2172.5-67.3179.8-179.9-179.50111.5C419 E421 V438 I442 P494 H495 P496 S498 P499 R500 I507C419-K503 HydrophobicContact CB-CD 4.13Å; C419-K503 HydrophobicContact CB-CG 4.35Å; E421-K503 IonicContact OE2-NZ 2.85Å; V438-K503 HydrophobicContact CG1-CD 4.15Å; I442-K503 HydrophobicContact CD1-CB 3.75Å; P494-K503 HydrophobicContact CB-CG 3.97Å; P494-K503 HydrophobicContact CG-CG 4.26Å; H495-K503 WeakPolarHBondContact O-CE 3.43Å; P496-K503 PolarHBondContact O-NZ 3.14Å; S498-K503 WeakPolarHBondContact O-CE 3.25Å; P499-K503 PolarHBondContact O-N 3.34Å; R500-K503 PolarHBondContact O-N 3.05Å; K503-I507 WeakPolarHBondContact O-CB 3.26Å; K503-I507 WeakPolarHBondContact O-CD1 3.06Å; K503-I507 VanDerWaalsContact O-CG1 3.22Å; K503-I507 WeakPolarHBondContact O-CG1 3.37Å; K503-I507 PolarHBondContact O-N 3.32Å
504E90.6Very high87.4Confident51 Ų5154.5 Ų54.524%0.23830%0.296CS..Hα-helixtrans-70-43.7177179.1168.4177.100112.7I442 R500 G501 D502 W506 I507 R508I442-E504 HydrophobicContact CD1-CB 4.1Å; I442-E504 HydrophobicContact CG1-CB 4.29Å; I442-E504 HydrophobicContact CG2-CB 4.04Å; I442-E504 HydrophobicContact CG2-CG 3.99Å; R500-E504 WeakPolarHBondContact O-CB 3.38Å; R500-E504 PolarHBondContact O-N 3.33Å; G501-E504 PolarHBondContact O-N 2.85Å; D502-E504 VanDerWaalsContact C-N 3.29Å; D502-E504 PolarHBondContact O-N 3.05Å; E504-W506 VanDerWaalsContact C-N 3.31Å; E504-W506 PolarHBondContact O-N 3.06Å; E504-I507 PolarHBondContact O-N 2.77Å; E504-R508 HydrophobicContact CG-CG 4.38Å; E504-R508 WeakPolarHBondContact O-CB 3.46Å; E504-R508 WeakPolarHBondContact O-CG 3.3Å; E504-R508 PolarHBondContact O-N 3.02Å; E504-R508 IonicContact OE1-CZ 2.67Å; E504-R508 VanDerWaalsContact OE1-CZ 3.22Å; E504-R508 IonicContact OE1-NE 3.22Å; E504-R508 PolarHBondContact OE1-NE 3.42Å; E504-R508 IonicContact OE1-NH2 2.85Å; E504-R508 PolarHBondContact OE1-NH2 2.98Å
505S88.3Confident87.2Confident74 Ų7458.7 Ų58.752%0.51731%0.313SS..Hα-helixtrans-59.1-42.6175-172.20000111.8G501 D502 S509G501-S505 PolarHBondContact O-N 3.13Å; D502-S505 PolarHBondContact O-N 2.95Å; S505-S509 WeakPolarHBondContact O-CB 3.4Å; S505-S509 PolarHBondContact O-N 3.16Å; S505-S509 PolarHBondContact O-OG 3.43Å
506W89.4Confident87.1Confident8 Ų853 Ų533%0.0329%0.287CS..Hα-helixtrans-61.1-53.8174.3-179.6-98.8000112.5E483 I486 I491 K493 P494 D502 E504 R508 S509 K510 F516E483-W506 HydrophobicContact CG-CZ2 4.48Å; I486-W506 HydrophobicContact CD1-CH2 3.47Å; I486-W506 VanDerWaalsContact CD1-CH2 3.47Å; I486-W506 HydrophobicContact CD1-CZ2 3.7Å; I486-W506 HydrophobicContact CG1-CH2 3.9Å; I486-W506 HydrophobicContact CG1-CZ2 4.49Å; I491-W506 HydrophobicContact CB-CZ3 4.48Å; I491-W506 HydrophobicContact CG2-CE3 3.99Å; I491-W506 HydrophobicContact CG2-CZ3 3.78Å; K493-W506 HydrophobicContact CB-CH2 4.02Å; K493-W506 HydrophobicContact CB-CZ2 3.99Å; K493-W506 HydrophobicContact CD-CZ2 4.19Å; K493-W506 HydrophobicContact CG-CH2 4.36Å; K493-W506 HydrophobicContact CG-CZ2 3.81Å; P494-W506 VanDerWaalsContact CD-CD2 3.44Å; P494-W506 VanDerWaalsContact CD-CG 3.41Å; P494-W506 HydrophobicContact CG-CB 3.88Å; P494-W506 HydrophobicContact CG-CD2 4.33Å; P494-W506 HydrophobicContact CG-CG 3.76Å; D502-W506 WeakPolarHBondContact O-CB 3.33Å; D502-W506 PolarHBondContact O-N 3.4Å; E504-W506 VanDerWaalsContact C-N 3.31Å; E504-W506 PolarHBondContact O-N 3.06Å; W506-R508 VanDerWaalsContact C-N 3.32Å; W506-R508 PolarHBondContact O-N 3.17Å; W506-S509 WeakPolarHBondContact O-CB 3.17Å; W506-S509 PolarHBondContact O-N 3.19Å; W506-S509 VanDerWaalsContact O-N 3.12Å; W506-K510 WeakPolarHBondContact O-CB 3.36Å; W506-K510 PolarHBondContact O-N 3.07Å; W506-F516 HydrophobicContact CE3-CE2 4.33Å; W506-F516 HydrophobicContact CE3-CZ 4.05Å; W506-F516 HydrophobicContact CH2-CE2 4.14Å; W506-F516 HydrophobicContact CH2-CZ 4.13Å; W506-F516 HydrophobicContact CZ2-CE2 4.35Å; W506-F516 HydrophobicContact CZ3-CE1 4.34Å; W506-F516 HydrophobicContact CZ3-CE2 4.14Å; W506-F516 AromaticContact CZ3-CZ 3.76Å; W506-F516 HydrophobicContact CZ3-CZ 3.76Å
507I91Very high87Confident0 Ų052.1 Ų52.10%028%0.28CS..Hα-helixtrans-62.6-38.6-177.3-71.7168.9000111.3D418 C439 I442 L446 K503 E504 K510 Y511D418-I507 HydrophobicContact CB-CD1 4.08Å; D418-I507 HydrophobicContact CB-CG1 3.85Å; C439-I507 HydrophobicContact CB-CD1 3.86Å; I442-I507 HydrophobicContact CB-CD1 4.02Å; I442-I507 HydrophobicContact CD1-CD1 4.02Å; I442-I507 HydrophobicContact CG2-CB 4.02Å; I442-I507 HydrophobicContact CG2-CD1 3.89Å; I442-I507 HydrophobicContact CG2-CG2 3.84Å; L446-I507 HydrophobicContact CD1-CG2 4.01Å; K503-I507 WeakPolarHBondContact O-CB 3.26Å; K503-I507 WeakPolarHBondContact O-CD1 3.06Å; K503-I507 VanDerWaalsContact O-CG1 3.22Å; K503-I507 WeakPolarHBondContact O-CG1 3.37Å; K503-I507 PolarHBondContact O-N 3.32Å; E504-I507 PolarHBondContact O-N 2.77Å; I507-K510 PolarHBondContact O-N 3Å; I507-Y511 HydrophobicContact CG2-CD2 4Å; I507-Y511 HydrophobicContact CG2-CE2 4.36Å; I507-Y511 WeakPolarHBondContact O-CD2 3.49Å; I507-Y511 PolarHBondContact O-N 3.2Å
508R90Very high86.4Confident99 Ų9952.3 Ų52.337%0.37427%0.27SS..Iπ-helixtrans-63.7-47.2171.9-72.6175.8-179.7-83.2-0.6111.7L446 E504 W506 K510 V512 E513L446-R508 HydrophobicContact CD2-CG 3.89Å; E504-R508 HydrophobicContact CG-CG 4.38Å; E504-R508 WeakPolarHBondContact O-CB 3.46Å; E504-R508 WeakPolarHBondContact O-CG 3.3Å; E504-R508 PolarHBondContact O-N 3.02Å; E504-R508 IonicContact OE1-CZ 2.67Å; E504-R508 VanDerWaalsContact OE1-CZ 3.22Å; E504-R508 IonicContact OE1-NE 3.22Å; E504-R508 PolarHBondContact OE1-NE 3.42Å; E504-R508 IonicContact OE1-NH2 2.85Å; E504-R508 PolarHBondContact OE1-NH2 2.98Å; W506-R508 VanDerWaalsContact C-N 3.32Å; W506-R508 PolarHBondContact O-N 3.17Å; R508-K510 VanDerWaalsContact C-N 3.25Å; R508-K510 PolarHBondContact O-N 2.9Å; R508-V512 WeakPolarHBondContact O-CA 3.35Å; R508-V512 WeakPolarHBondContact O-CB 3.49Å; R508-V512 PolarHBondContact O-N 3.45Å; R508-E513 PolarHBondContact O-N 2.79Å
509S88.5Confident85.2Confident9 Ų958.8 Ų58.86%0.06329%0.294CS..Iπ-helixtrans-59-37.8177.6-62.50000112.5S505 W506 E513 K514 K515S505-S509 WeakPolarHBondContact O-CB 3.4Å; S505-S509 PolarHBondContact O-N 3.16Å; S505-S509 PolarHBondContact O-OG 3.43Å; W506-S509 WeakPolarHBondContact O-CB 3.17Å; W506-S509 PolarHBondContact O-N 3.19Å; W506-S509 VanDerWaalsContact O-N 3.12Å; S509-E513 WeakPolarHBondContact CA-OE2 3.44Å; S509-E513 PolarHBondContact OG-OE2 3.05Å; S509-K514 PolarHBondContact O-N 3.3Å; S509-K514 VanDerWaalsContact O-N 3.14Å; S509-K515 PolarHBondContact O-N 3.32Å
510K88.3Confident83.7Confident0 Ų057.3 Ų57.30%028%0.281CS..Iπ-helixtrans-73-59.5-178.8-172.8171.5173.2-1780112.7C417 D418 N479 Y482 E483 W506 I507 R508 K514 F516C417-K510 PolarHBondContact SG-NZ 3.19Å; C417-K510 VanDerWaalsContact SG-NZ 3.43Å; D418-K510 IonicContact OD1-NZ 3.46Å; D418-K510 PolarHBondContact OD1-NZ 3.08Å; N479-K510 PolarHBondContact OD1-NZ 3.32Å; Y482-K510 WeakPolarHBondContact CD1-O 3.37Å; E483-K510 HydrophobicContact CG-CD 4.17Å; E483-K510 WeakPolarHBondContact OE1-CE 3.38Å; E483-K510 IonicContact OE1-NZ 3.61Å; E483-K510 PolarHBondContact OE1-NZ 2.93Å; W506-K510 WeakPolarHBondContact O-CB 3.36Å; W506-K510 PolarHBondContact O-N 3.07Å; I507-K510 PolarHBondContact O-N 3Å; R508-K510 VanDerWaalsContact C-N 3.25Å; R508-K510 PolarHBondContact O-N 2.9Å; K510-K514 WeakPolarHBondContact O-CA 3.34Å; K510-F516 HydrophobicContact CB-CD2 4.21Å; K510-F516 HydrophobicContact CB-CE2 4.05Å; K510-F516 HydrophobicContact CG-CD2 4.5Å
511Y89.7Confident81.8Confident8 Ų854.7 Ų54.73%0.03128%0.283CS..Iπ-helixtrans-98.7-30.3-169.6-56.3-77.5000115C417 D418 L431 I433 H443 I478 Y482 I507C417-Y511 PolarHBondContact SG-OH 3.35Å; D418-Y511 VanDerWaalsContact OD1-CE2 3.31Å; D418-Y511 WeakPolarHBondContact OD1-CE2 3.34Å; D418-Y511 PolarHBondContact OD1-OH 3.02Å; L431-Y511 HydrophobicContact CD1-CD1 3.93Å; L431-Y511 HydrophobicContact CD1-CE1 3.96Å; L431-Y511 HydrophobicContact CD1-CG 4.48Å; I433-Y511 HydrophobicContact CD1-CE1 4.24Å; I433-Y511 VanDerWaalsContact CD1-OH 3.26Å; I433-Y511 WeakPolarHBondContact CD1-OH 3.43Å; H443-Y511 AromaticContact CE1-CD1 3.69Å; H443-Y511 AromaticContact CE1-CD2 2.88Å; H443-Y511 WeakPolarHBondContact CE1-CD2 3.46Å; H443-Y511 AromaticContact CE1-CE1 3.51Å; H443-Y511 AromaticContact CE1-CE2 2.66Å; H443-Y511 WeakPolarHBondContact CE1-CE2 3.39Å; H443-Y511 AromaticContact CE1-CG 3.4Å; H443-Y511 AromaticContact CE1-CZ 3Å; H443-Y511 AromaticContact NE2-CD2 3.96Å; H443-Y511 AromaticContact NE2-CE2 3.16Å; H443-Y511 WeakPolarHBondContact NE2-CE2 3.29Å; H443-Y511 AromaticContact NE2-CZ 3.8Å; I478-Y511 HydrophobicContact CG2-CE1 4.25Å; Y482-Y511 AromaticContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CD1 3.91Å; Y482-Y511 HydrophobicContact CD1-CE1 4.33Å; Y482-Y511 AromaticContact CE1-CD1 3.97Å; Y482-Y511 HydrophobicContact CE1-CD1 3.97Å; Y482-Y511 HydrophobicContact CG-CD1 4.33Å; Y482-Y511 HydrophobicContact CG-CE1 4.29Å; I507-Y511 HydrophobicContact CG2-CD2 4Å; I507-Y511 HydrophobicContact CG2-CE2 4.36Å; I507-Y511 WeakPolarHBondContact O-CD2 3.49Å; I507-Y511 PolarHBondContact O-N 3.2Å
512V87.2Confident79.7Confident50 Ų5061.4 Ų61.430%0.30330%0.302SS..Iπ-helixtrans-89.2-50.6-178.2-179.50000110.6L446 F450 R508L446-V512 HydrophobicContact CD1-CG2 3.98Å; L446-V512 HydrophobicContact CD2-CG2 3.91Å; L446-V512 HydrophobicContact CG-CG2 4.45Å; F450-V512 HydrophobicContact CD1-CG2 4.15Å; F450-V512 HydrophobicContact CD2-CG2 4.16Å; F450-V512 HydrophobicContact CE1-CB 4.31Å; F450-V512 HydrophobicContact CE1-CG1 4.16Å; F450-V512 HydrophobicContact CE1-CG2 4.13Å; F450-V512 HydrophobicContact CE2-CG1 4.24Å; F450-V512 HydrophobicContact CE2-CG2 4.12Å; F450-V512 HydrophobicContact CG-CG2 4.18Å; F450-V512 HydrophobicContact CZ-CB 4.33Å; F450-V512 HydrophobicContact CZ-CG1 3.77Å; F450-V512 HydrophobicContact CZ-CG2 4.13Å; R508-V512 WeakPolarHBondContact O-CA 3.35Å; R508-V512 WeakPolarHBondContact O-CB 3.49Å; R508-V512 PolarHBondContact O-N 3.45Å
513E84.9Confident77.4Confident102 Ų10261.6 Ų61.648%0.47731%0.306SS..SBendtrans-90.8-12.5-177.1-54.5178.8143.200112.8R508 S509 K515R508-E513 PolarHBondContact O-N 2.79Å; S509-E513 WeakPolarHBondContact CA-OE2 3.44Å; S509-E513 PolarHBondContact OG-OE2 3.05Å; E513-K515 HydrophobicContact CB-CD 4.25Å; E513-K515 HydrophobicContact CB-CG 3.98Å; E513-K515 PolarHBondContact O-N 2.98Å; E513-K515 VanDerWaalsContact O-N 3.11Å; E513-K515 IonicContact OE1-NZ 2.63Å; E513-K515 WeakPolarHBondContact OE2-CD 3.35Å; E513-K515 WeakPolarHBondContact OE2-CE 3.47Å; E513-K515 IonicContact OE2-NZ 2.64Å; E513-K515 PolarHBondContact OE2-NZ 3.19Å
514K86.8Confident74.7Confident71 Ų7164.6 Ų64.631%0.30934%0.339SS..  trans53.932.8173.6-69.4177.3163.4-168.60113.7Y482 S509 K510 F516 I517 L649 A650Y482-K514 HydrophobicContact CE1-CG 4.46Å; S509-K514 PolarHBondContact O-N 3.3Å; S509-K514 VanDerWaalsContact O-N 3.14Å; K510-K514 WeakPolarHBondContact O-CA 3.34Å; K514-F516 VanDerWaalsContact C-N 3.32Å; K514-F516 PolarHBondContact O-N 3.37Å; K514-I517 HydrophobicContact CB-CD1 3.71Å; K514-I517 HydrophobicContact CB-CG1 4.35Å; K514-I517 HydrophobicContact CD-CD1 4.16Å; K514-I517 HydrophobicContact CG-CD1 3.91Å; K514-L649 PolarHBondContact NZ-O 2.96Å; K514-A650 VanDerWaalsContact CD-O 3.29Å; K514-A650 WeakPolarHBondContact CD-O 3.2Å; K514-A650 VanDerWaalsContact CE-O 3.27Å; K514-A650 WeakPolarHBondContact CE-O 3.49Å; K514-A650 PolarHBondContact NZ-O 3.3Å
515K80.2Confident71.8Confident102 Ų10274.1 Ų74.144%0.44337%0.373SS..THydrogen-bonded Turntrans-65.1-27.4-167.7-82.8174.1170160.40115.1S509 E513S509-K515 PolarHBondContact O-N 3.32Å; E513-K515 HydrophobicContact CB-CD 4.25Å; E513-K515 HydrophobicContact CB-CG 3.98Å; E513-K515 PolarHBondContact O-N 2.98Å; E513-K515 VanDerWaalsContact O-N 3.11Å; E513-K515 IonicContact OE1-NZ 2.63Å; E513-K515 WeakPolarHBondContact OE2-CD 3.35Å; E513-K515 WeakPolarHBondContact OE2-CE 3.47Å; E513-K515 IonicContact OE2-NZ 2.64Å; E513-K515 PolarHBondContact OE2-NZ 3.19Å
516F79.8Confident68.9Low1 Ų176 Ų760%0.00439%0.386CS..THydrogen-bonded Turntrans-104.28-170.7-36.5-68.8000114Y482 A484 R485 I489 I491 W506 K510 K514Y482-F516 WeakPolarHBondContact O-CB 3.22Å; A484-F516 PolarHBondContact N-O 3.49Å; R485-F516 WeakPolarHBondContact CB-O 3.32Å; R485-F516 PolarHBondContact N-O 3.36Å; I489-F516 HydrophobicContact CD1-CD1 4Å; I489-F516 HydrophobicContact CG2-CD1 4.43Å; I489-F516 HydrophobicContact CG2-CE1 4.28Å; I491-F516 HydrophobicContact CD1-CE1 4.2Å; W506-F516 HydrophobicContact CE3-CE2 4.33Å; W506-F516 HydrophobicContact CE3-CZ 4.05Å; W506-F516 HydrophobicContact CH2-CE2 4.14Å; W506-F516 HydrophobicContact CH2-CZ 4.13Å; W506-F516 HydrophobicContact CZ2-CE2 4.35Å; W506-F516 HydrophobicContact CZ3-CE1 4.34Å; W506-F516 HydrophobicContact CZ3-CE2 4.14Å; W506-F516 AromaticContact CZ3-CZ 3.76Å; W506-F516 HydrophobicContact CZ3-CZ 3.76Å; K510-F516 HydrophobicContact CB-CD2 4.21Å; K510-F516 HydrophobicContact CB-CE2 4.05Å; K510-F516 HydrophobicContact CG-CD2 4.5Å; K514-F516 VanDerWaalsContact C-N 3.32Å; K514-F516 PolarHBondContact O-N 3.37Å
517I81.1Confident66Low16 Ų1681.5 Ų81.58%0.08242%0.421CS..  trans-77.3140.5178-53.7179.5000110.2Y482 R485 K514 K519 A650Y482-I517 HydrophobicContact CD1-CD1 4.22Å; Y482-I517 HydrophobicContact CD1-CG1 4.45Å; Y482-I517 HydrophobicContact CE1-CD1 4.22Å; R485-I517 VanDerWaalsContact CD-O 3.25Å; R485-I517 WeakPolarHBondContact CD-O 3.27Å; K514-I517 HydrophobicContact CB-CD1 3.71Å; K514-I517 HydrophobicContact CB-CG1 4.35Å; K514-I517 HydrophobicContact CD-CD1 4.16Å; K514-I517 HydrophobicContact CG-CD1 3.91Å; I517-K519 PolarHBondContact O-N 3.03Å; I517-A650 HydrophobicContact CD1-CB 3.74Å; I517-A650 WeakPolarHBondContact CD1-O 3.48Å
518Q72.8Confident63Low105 Ų10589.6 Ų89.649%0.49146%0.463SS..  trans-73115.5171.7-176.862.712.100110.6A484 R485 L520 H651A484-Q518 HydrophobicContact CB-CB 4.01Å; R485-Q518 HydrophobicContact CG-CB 4.35Å; Q518-L520 PolarHBondContact O-N 3.11Å; Q518-H651 PolarHBondContact O-CE1 2.9Å; Q518-H651 PolarHBondContact O-NE2 3.35Å
519K61.8Low60.1Low166 Ų16692 Ų9272%0.72249%0.488SS*.PPolyproline II helixtrans-63.1129.5179.4-68.9-174.5176.6-174.40111.2I517I517-K519 PolarHBondContact O-N 3.03Å
520L56.1Low57.1Low52 Ų52102.1 Ų102.127%0.27253%0.525SS..PPolyproline II helixtrans-53.7151166.9-74.8163.7000111.1Q518 E522 P629 H651Q518-L520 PolarHBondContact O-N 3.11Å; L520-E522 PolarHBondContact O-N 2.97Å; L520-P629 HydrophobicContact CD1-CG 4.16Å; L520-H651 HydrophobicContact CD1-CB 4.02Å
521P49.3Very low54.2Low89 Ų89113.9 Ų113.958%0.57857%0.569SS**PPolyproline II helixtrans-55.7134.3172.4-21.832.9000111T523P521-T523 VanDerWaalsContact C-N 3.31Å; P521-T523 PolarHBondContact O-N 2.8Å
522E41.6Very low51.2Low188 Ų188118.9 Ų118.988%0.87961%0.606SS**  trans-70.588173.3-70.8-172.3169.900109.8L520L520-E522 PolarHBondContact O-N 2.97Å
523T38.1Very low48.4Very low96 Ų96122.4 Ų122.459%0.58963%0.632SS**PPolyproline II helixtrans-62.2137.4167.244.90000109.8P521P521-T523 VanDerWaalsContact C-N 3.31Å; P521-T523 PolarHBondContact O-N 2.8Å
524G32.4Very low45.7Very low70 Ų70122.7 Ų122.772%0.72265%0.653SS**PPolyproline II helixtrans-67.9166.1-151.100000117.1
525R31.3Very low42.9Very low251 Ų251130.3 Ų130.395%0.94768%0.679SS**PPolyproline II helixtrans-49.8151.1174.6-72.6172.2165.9171.6-4.5114
526S26.4Very low40.4Very low113 Ų113137.1 Ų137.179%0.7970%0.702SS**  trans97.5132.6159.9-147.60000114.5
527T28.4Very low37.8Very low124 Ų124143.1 Ų143.176%0.76174%0.739SS**  cis-122.6147.617.544.10000115.3
528L28.2Very low35.2Very low170 Ų170154.2 Ų154.289%0.8978%0.78SS**  trans-75.9118.4172.9-72155.1000112.3
529V28.4Very low32.9Very low148 Ų148154.2 Ų154.290%0.89780%0.798SS**  trans-94.892.1153.6-177.20000109.2R531V529-R531 PolarHBondContact O-N 3.01Å
530R27Very low31.1Very low222 Ų222152.2 Ų152.284%0.83880%0.8SS**  trans-49.3117.2179.9174.5-173.6179.8176.80.4114.3
531R27.5Very low29.6Very low247 Ų247155.5 Ų155.593%0.93282%0.822SS**  trans-130.2139.9140.9-79.8-166.9170174.5-1.4110.8V529V529-R531 PolarHBondContact O-N 3.01Å
532S25.9Very low28.6Very low114 Ų114160.2 Ų160.280%0.79784%0.837SS**PPolyproline II helixtrans-90.8122.2-159.247.60000113.8
533S27.6Very low27.7Very low123 Ų123157.9 Ų157.986%0.8683%0.83SS**PPolyproline II helixtrans-81.5118.8168.9-55.30000111.5
534A28.9Very low27.2Very low109 Ų109163.5 Ų163.590%0.90184%0.841SS**PPolyproline II helixtrans-86.8120.8163.700000109.7
535R28.3Very low26.8Very low231 Ų231166.8 Ų166.887%0.87284%0.842SS**PPolyproline II helixtrans-86.1140.7-171.9179.9-171.4-168.9-174.65.9111.2
536R28.2Very low26.7Very low244 Ų244161.5 Ų161.592%0.92184%0.837SS**  -177.4153.1127.5-101.6163.6-175.2-169.11.3115.1
537T24Very low26.6Very low128 Ų128164.2 Ų164.279%0.78584%0.838SS**  trans-103.4153.8-177.821.40000112.3
538R26.7Very low26.3Very low248 Ų248169.3 Ų169.394%0.93684%0.843SS**  trans39.2122.5153-85.9-177166.5176.4-4.1120.1
539A24.1Very low26.8Very low105 Ų105166.6 Ų166.687%0.86884%0.836SS**  trans-158.2163.7133.400000111.3
540T24.2Very low27.4Very low124 Ų124164.3 Ų164.376%0.76182%0.824SS**  trans-99.1154.5-16938.20000114.7
541T26.1Very low27.4Very low122 Ų122161.7 Ų161.775%0.74883%0.825SS**  trans42.7115.7145.360.10000120.7
542Q26.6Very low27.6Very low187 Ų187158.7 Ų158.787%0.87482%0.819SS**  170.7127.4106.2-94-174.3-12.300114
543D23.8Very low27.9Very low139 Ų139159.4 Ų159.474%0.74382%0.821SS**  trans55.4150.7133-14715.7000124.7
544R26.7Very low28.1Very low215 Ų215162.7 Ų162.781%0.81182%0.82SS**  trans72.389.4160.7-78.8169.3-179.5-139.9-6.8122.7
545N25.3Very low28.5Very low139 Ų139163 Ų16374%0.74381%0.813SS**  45.8113.4102.9-166.824.2000120.4
546T27.6Very low28.4Very low140 Ų140158.5 Ų158.586%0.85981%0.811SS**  -178.3170.3125.524.10000113.1
547Q25.1Very low28.3Very low170 Ų170158.3 Ų158.379%0.79481%0.81SS**  trans-108.6150.2-162.6-57.2173.7-14.200115.6
548R22.9Very low28.5Very low231 Ų231156.2 Ų156.287%0.87281%0.806SS**  trans57.7164.8146.7-80.5-178.9167.8-174.5-1.9119.4
549P37.6Very low28.6Very low113 Ų113151 Ų15173%0.73480%0.802SS**  cis-122.8-124.9-47.436.3-16000108.5
550P40.6Very low28.8Very low100 Ų100153.3 Ų153.365%0.64980%0.799SS**  cis-131.6170.3-41.137.3-20000116.9
551L26.9Very low29.3Very low166 Ų166153.5 Ų153.587%0.86980%0.803SS**  trans78160.2142.4-79.7162.5000124
552K33Very low29.3Very low184 Ų184157.9 Ų157.980%0.881%0.806SS**  trans-93.6-179.8-163.9-56.4168.4176.8166.90113.2
553P32.5Very low29.2Very low130 Ų130155.4 Ų155.484%0.84480%0.797SS**  -143.1168.395.333.5-16.3000117.1
554K31.1Very low29.4Very low191 Ų191154.2 Ų154.283%0.8380%0.796SS**  trans-104.5162.9158.4-69.8-173.9171.5-173.80108.8
555P37.6Very low29.3Very low117 Ų117150.7 Ų150.776%0.7680%0.798SS**  -147.8-165.592.743.4-25.7000111.9
556T26.7Very low29.3Very low136 Ų136147.5 Ų147.583%0.83480%0.797SS**  cis-133.9-116.6-3.6-33.70000112.2
557R26.1Very low29.2Very low239 Ų239149.7 Ų149.790%0.90280%0.795SS**  trans-170.4164.7-170.9-176.2-178.5174.7176.8-0.4112.2
558A28.3Very low29.1Very low85 Ų85151.9 Ų151.970%0.70280%0.797SS**  trans90.7150.1155.800000117.2
559T27.9Very low29.1Very low139 Ų139152.2 Ų152.285%0.85380%0.798SS**  cis-151.3161.911.4-35.40000112.2
560L29.5Very low28.5Very low152 Ų152151.7 Ų151.780%0.79679%0.794SS**  trans-77.3169.1168.1-76.7162.9000112.7
561P34.2Very low27.7Very low129 Ų129153.3 Ų153.384%0.83880%0.797SS**  -134.6-175.599.826.3-7.4000115.6
562R24.6Very low27.5Very low214 Ų214153.8 Ų153.881%0.80879%0.792SS**  trans-132.1174.4-161.3-178.1-176.4-172.1-113.86.2111
563L26.1Very low27.1Very low134 Ų134150 Ų15070%0.70279%0.785SS**  trans105.4140.8162.8-55.6164.6000112.8
564T26.6Very low26.8Very low115 Ų115151.8 Ų151.871%0.70678%0.781SS**  cis-159.7130.4-1.910.60000108.7
565V26Very low26.5Very low141 Ų141150.7 Ų150.786%0.85578%0.776SS**  58.612197.8-1760000117.4
566G24.9Very low25.8Very low71 Ų71153.3 Ų153.373%0.73278%0.778SS**  trans152.673.3164.500000113.7
567K25.3Very low25.7Very low186 Ų186152.7 Ų152.781%0.80978%0.779SS**  52.311495.6-80.1-158.5174-176.70117.6
568Y22.6Very low25.5Very low217 Ų217144.8 Ų144.885%0.85177%0.772SS**  trans24.9133.6142.3-56.4-89.3000120.5
569R23.4Very low25.4Very low237 Ų237147.9 Ų147.989%0.89478%0.782SS**  -165.9172.884.1-138.9177.6172.5160.6-3.1113.3
570T25.7Very low25.2Very low103 Ų103151.4 Ų151.463%0.63278%0.78SS**  trans-84.1173.1-175.850.60000113.8
571D22.8Very low25Very low134 Ų134150.6 Ų150.672%0.71777%0.772SS**  trans129.4144.7141.9-65.2-8.6000111.4
572F23.2Very low24.5Very low176 Ų176150.6 Ų150.677%0.77277%0.765SS**  cis174.1160.3-22.9-138.9-78.6000104.4
573T24.2Very low24.5Very low105 Ų105147 Ų14764%0.64477%0.767SS**  trans81.7119.4162.269.70000122.1
574H25.3Very low24.5Very low167 Ų167144.7 Ų144.777%0.77377%0.766SS**  55.7148.5124.6-67.5-54.8000121.7
575K24.8Very low24.4Very low167 Ų167148 Ų14873%0.72677%0.774SS**  cis-169.4158.625.6-131.6167.3-173.4178.40113.1
576H24.3Very low24.3Very low173 Ų173148.3 Ų148.380%0.80177%0.771SS**  trans30.8128153.1-72-57.1000124.4
577S24.2Very low24.2Very low122 Ų122152.3 Ų152.385%0.85377%0.774SS**  177154111.456.40000109.8
578G22.5Very low24Very low73 Ų73148.4 Ų148.475%0.75377%0.771SS**  cis132.371.3-15.500000116.1
579V25.2Very low24Very low150 Ų150149.6 Ų149.691%0.90977%0.774SS**  trans-142.8147.5168.6-176.70000111.7
580R23.7Very low24.1Very low214 Ų214144 Ų14481%0.80877%0.768SS**  trans-93.5-169-179.5-60.8171155.5-176.5-5.3111.4
581Q25.1Very low23.9Very low135 Ų135146.7 Ų146.763%0.63178%0.779SS**  cis-171.1159.420-141.3171.2-74.900111
582D23.8Very low24Very low128 Ų128147.2 Ų147.268%0.68479%0.786SS**  trans51150.7155-51.1-30.3000120.3
583V25.6Very low23.9Very low140 Ų140144.1 Ų144.185%0.84879%0.786SS**  cis-156.2154.739.7172.50000109.5
584A24.6Very low23.8Very low84 Ų84144.2 Ų144.269%0.69479%0.791SS**  trans-101.1150.6175.900000113.7
585Q25.6Very low23.6Very low186 Ų186144.4 Ų144.487%0.86979%0.793SS**  trans-168.7107.2150.1-108.5160.637.400114.9
586N23.2Very low23.6Very low146 Ų146144.4 Ų144.478%0.78180%0.795SS**  32.3118116.3-90.3-10.2000120.7
587L22.4Very low23.5Very low155 Ų155143 Ų14381%0.81279%0.792SS**  164.3140104.9-90.6149.4000116.7
588S22.4Very low23.5Very low105 Ų105144.2 Ų144.273%0.73479%0.789SS**  trans62.5115140.2-58.50000124
589R21.9Very low23.6Very low241 Ų241146 Ų14691%0.90979%0.79SS**  trans-88.3157.6141.1-78.8179.8166.2-177.2-4.9110.7
590P26Very low23.6Very low121 Ų121146.9 Ų146.979%0.78679%0.789SS**  trans-113.4149.2148.934-24.6000113.2
591N21.8Very low23.6Very low158 Ų158140.2 Ų140.285%0.84578%0.775SS**  trans-83.4149.3164.9-89.3-11.2000110.5
592V23.8Very low23.6Very low145 Ų145140.4 Ų140.488%0.87979%0.788SS**  trans-141.7154.9142.1-173.20000109.4
593S21.4Very low23.8Very low111 Ų111138.7 Ų138.778%0.77679%0.786SS**  trans-88.6171.1-163.347.80000117.1
594S22.3Very low23.8Very low107 Ų107138.8 Ų138.875%0.74878%0.782SS**  trans-71.5153.7175.450.80000116.2
595E21.8Very low24.1Very low171 Ų171142.6 Ų142.680%0.79979%0.789SS**  -172.7125.7126.3-105.4175.7178.200113.2
596Q23.7Very low24.1Very low168 Ų168141.9 Ų141.979%0.78579%0.79SS**  trans50.9151.2152.2-43.1-176.6-5.900119.8
597I23.3Very low24.5Very low144 Ų144144.1 Ų144.174%0.73879%0.793SS**  cis-147.3148.425.6-69.9172.7000111
598N23.4Very low24.5Very low147 Ų147144.4 Ų144.479%0.78680%0.795SS**  trans2.3151.5161.2-65.4-23.4000124.9
599S24.4Very low24.6Very low109 Ų109147.5 Ų147.576%0.76280%0.803SS**  trans88.4115.7152.974.90000118.7
600L24.9Very low24.7Very low169 Ų169140.8 Ų140.889%0.88579%0.793SS**  trans-176170.2138.7-97.8160.1000110.5
601S24.8Very low24.6Very low74 Ų74141 Ų14152%0.51780%0.797SS.*  trans-89.5172.1-161.355.10000115.3S603S601-S603 PolarHBondContact O-N 2.59Å
602P25.2Very low24.8Very low140 Ų140139 Ų13991%0.90980%0.796SS**SBendtrans-68.235.5-170.1-23.436.4000118.7
603S27Very low24.7Very low91 Ų91138.9 Ų138.964%0.63679%0.786SS**  trans-90.6-14.9-168.9-53.50000115.7S601S601-S603 PolarHBondContact O-N 2.59Å
604D26.6Very low24.9Very low143 Ų143142.7 Ų142.777%0.76579%0.788SS**  trans-104.615.8-159.2-69.8-48.5000116.8
605I29.6Very low25Very low164 Ų164143.6 Ų143.684%0.84179%0.785SS**SBendtrans-102.966.2174.1-48.6-179.5000110.7
606L27.4Very low25.1Very low170 Ų170146.9 Ų146.989%0.8979%0.79SS**  trans-164.237.3161.5-111.4163.9000114.5
607K30Very low25.2Very low194 Ų194147.3 Ų147.384%0.84379%0.792SS**  trans-132.191.2166.1-73.4-171.6179-178.80111.4
608N23.7Very low25.7Very low160 Ų160149.9 Ų149.986%0.85680%0.801SS**  trans176.6100.4144.6-93.1-21.1000111.1
609N23.8Very low25.9Very low171 Ų171149.1 Ų149.191%0.91480%0.797SS**  trans175.382.8136.5-91.1-19.1000109.7
610S25Very low26.3Very low100 Ų100151.6 Ų151.670%0.69980%0.796SS**  trans-112.2127163.150.70000109.3
611S23Very low27.1Very low124 Ų124153.5 Ų153.587%0.86780%0.8SS**  trans-158.872.8164.251.90000111.6
612S25.2Very low27.9Very low116 Ų116154.8 Ų154.881%0.81180%0.798SS**  trans-176.172148.3178.20000108.4K614S612-K614 PolarHBondContact O-N 3.35Å
613H23.2Very low29Very low144 Ų144153.8 Ų153.867%0.66779%0.785SS**  trans-56.2134.1169.5-98.9-119.9000110.6D615H613-D615 IonicContact CE1-OD1 2.62Å; H613-D615 IonicContact CG-OD1 2.56Å; H613-D615 IonicContact ND1-OD1 3.77Å; H613-D615 PolarHBondContact ND1-OD1 3.49Å
614K24.8Very low30.4Very low190 Ų190152 Ų15283%0.82677%0.769SS**  trans-114.9118.3139.1-91.3-169.4173.2-174.40105.5S612 W616S612-K614 PolarHBondContact O-N 3.35Å; K614-W616 PolarHBondContact O-N 2.93Å
615D24.3Very low31.7Very low127 Ų127148 Ų14868%0.67975%0.752SS**  trans-68.1122.5-173-52.1-57.2000109.9H613H613-D615 IonicContact CE1-OD1 2.62Å; H613-D615 IonicContact CG-OD1 2.56Å; H613-D615 IonicContact ND1-OD1 3.77Å; H613-D615 PolarHBondContact ND1-OD1 3.49Å
616W25.1Very low32.9Very low240 Ų240141.8 Ų141.891%0.90973%0.728SS**  trans-112.7126.2152.6-71.790.3000104.8K614 E618K614-W616 PolarHBondContact O-N 2.93Å; W616-E618 PolarHBondContact O-N 3Å
617E25.6Very low34.9Very low177 Ų177135.7 Ų135.783%0.82770%0.696SS**  trans-62.2132.4-170.5-69.1162.7140.400110.5D619E617-D619 PolarHBondContact O-N 3.44Å; E617-D619 VanDerWaalsContact O-N 3.13Å
618E32.7Very low37.3Very low198 Ų198132 Ų13293%0.92568%0.681SS**  trans-74.292.7168.9-71.1-177.8145.300108.1W616W616-E618 PolarHBondContact O-N 3Å
619D28.7Very low40.1Very low131 Ų131125.6 Ų125.670%0.70165%0.649SS**  trans-133.3129.2170-92.6-42.2000112.2E617E617-D619 PolarHBondContact O-N 3.44Å; E617-D619 VanDerWaalsContact O-N 3.13Å
620E32.6Very low43Very low161 Ų161117.5 Ų117.575%0.75261%0.605SS**  trans58125.6162.3-53.7-167.8167.600119.8E622E620-E622 HydrophobicContact CB-CG 4.36Å; E620-E622 PolarHBondContact O-N 3.47Å
621E40.7Very low45.8Very low208 Ų208113.7 Ų113.797%0.97258%0.58SS**  trans-67.172.4155.4-73.5-173.1133.200109.4D623E621-D623 PolarHBondContact O-N 3.22Å
622E42.3Very low48.9Very low101 Ų101108 Ų10847%0.47254%0.54SS..  trans-59130.3175.2-80.4-165.1140.800110.7E620 L624 R635E620-E622 HydrophobicContact CB-CG 4.36Å; E620-E622 PolarHBondContact O-N 3.47Å; E622-L624 PolarHBondContact O-N 3.1Å; E622-R635 IonicContact OE2-CZ 3.5Å; E622-R635 IonicContact OE2-NH1 3.16Å; E622-R635 PolarHBondContact OE2-NH1 3.43Å; E622-R635 IonicContact OE2-NH2 3.8Å; E622-R635 PolarHBondContact OE2-NH2 2.95Å
623D48.8Very low51.9Low120 Ų120102.5 Ų102.564%0.64250%0.502SS*.  trans-6098.3179-178.53.3000111.8E621 S625E621-D623 PolarHBondContact O-N 3.22Å; D623-S625 PolarHBondContact O-N 2.89Å; D623-S625 WeakPolarHBondContact OD1-CB 3.19Å; D623-S625 PolarHBondContact OD1-N 3.44Å; D623-S625 PolarHBondContact OD1-OG 3.42Å; D623-S625 PolarHBondContact OD2-OG 3.22Å; D623-S625 VanDerWaalsContact OD2-OG 3.13Å
624L54.8Low55Low54 Ų5495.9 Ų95.928%0.28347%0.471SS..G310 helixtrans-62.6-12-179.3-67.4175.8000113.6E622 G626 L632E622-L624 PolarHBondContact O-N 3.1Å; L624-G626 PolarHBondContact O-N 3.23Å; L624-L632 HydrophobicContact CB-CD1 3.98Å; L624-L632 HydrophobicContact CD2-CD1 4.3Å
625S54.2Low58Low59 Ų5991.5 Ų91.541%0.41345%0.449SS..G310 helixtrans-71.1-13-174.974.80000114.9D623D623-S625 PolarHBondContact O-N 2.89Å; D623-S625 WeakPolarHBondContact OD1-CB 3.19Å; D623-S625 PolarHBondContact OD1-N 3.44Å; D623-S625 PolarHBondContact OD1-OG 3.42Å; D623-S625 PolarHBondContact OD2-OG 3.22Å; D623-S625 VanDerWaalsContact OD2-OG 3.13Å
626G56.1Low61Low33 Ų3385.6 Ų85.634%0.3442%0.417SS..G310 helixtrans-99.4-7.6-177.900000116.8L624L624-G626 PolarHBondContact O-N 3.23Å
627L67.5Low64.1Low42 Ų4274.1 Ų74.122%0.2237%0.374CS..SBendtrans-79.7149.3-170-88.972.9000113.9A631 L632L627-A631 HydrophobicContact CD2-CB 4.28Å; L627-L632 HydrophobicContact CB-CB 4.31Å
628H80.5Confident67Low115 Ų11566.8 Ų66.853%0.53234%0.344SS..  trans-56.6134.5168.4176.6-97.7000110.2G630 A631 L632 W657H628-G630 PolarHBondContact ND1-N 3.26Å; H628-G630 PolarHBondContact O-N 3.33Å; H628-A631 HydrophobicContact CB-CB 4.47Å; H628-A631 WeakPolarHBondContact O-CA 3.16Å; H628-A631 WeakPolarHBondContact O-CB 2.87Å; H628-A631 PolarHBondContact O-N 3.02Å; H628-L632 PolarHBondContact O-N 3.02Å; H628-W657 AromaticContact CE1-NE1 3.83Å; H628-W657 AromaticContact ND1-NE1 3.83Å
629P83.1Confident69.6Low27 Ų2763.1 Ų63.118%0.17533%0.33CS..Hα-helixtrans-52.8-35.6-172.5-31.636.3000115.2L520 L632 L633 H651 A653L520-P629 HydrophobicContact CD1-CG 4.16Å; P629-L632 PolarHBondContact O-N 3.35Å; P629-L633 WeakPolarHBondContact O-CB 3.38Å; P629-L633 PolarHBondContact O-N 2.99Å; P629-H651 HydrophobicContact CB-CB 4.28Å; P629-H651 HydrophobicContact CG-CB 4.13Å; P629-A653 VanDerWaalsContact C-CB 3.48Å; P629-A653 HydrophobicContact CB-CB 3.81Å; P629-A653 VanDerWaalsContact O-CB 3.3Å; P629-A653 WeakPolarHBondContact O-CB 3.38Å
630G85Confident72.4Confident0 Ų060.5 Ų60.50%031%0.313CS..Hα-helixtrans-66-36.5174.200000114.3H628 Y634 W657H628-G630 PolarHBondContact ND1-N 3.26Å; H628-G630 PolarHBondContact O-N 3.33Å; G630-Y634 PolarHBondContact O-N 3.46Å; G630-W657 VanDerWaalsContact O-CE3 3.27Å
631A84.4Confident75Confident20 Ų2055.7 Ų55.717%0.16529%0.293CS..Hα-helixtrans-76.4-34.617600000111.6L627 H628 Y634 R635 W657L627-A631 HydrophobicContact CD2-CB 4.28Å; H628-A631 HydrophobicContact CB-CB 4.47Å; H628-A631 WeakPolarHBondContact O-CA 3.16Å; H628-A631 WeakPolarHBondContact O-CB 2.87Å; H628-A631 PolarHBondContact O-N 3.02Å; A631-Y634 WeakPolarHBondContact O-CB 3.09Å; A631-Y634 PolarHBondContact O-N 3.03Å; A631-R635 PolarHBondContact O-N 3.02Å; A631-W657 HydrophobicContact CB-CH2 3.8Å; A631-W657 HydrophobicContact CB-CZ2 4.19Å; A631-W657 HydrophobicContact CB-CZ3 4.17Å
632L86.6Confident77.2Confident6 Ų646 Ų463%0.03125%0.247CC..Hα-helixtrans-61-44.5170.3-176.562.4000111L624 L627 H628 P629 S636 V644 A648L624-L632 HydrophobicContact CB-CD1 3.98Å; L624-L632 HydrophobicContact CD2-CD1 4.3Å; L627-L632 HydrophobicContact CB-CB 4.31Å; H628-L632 PolarHBondContact O-N 3.02Å; P629-L632 PolarHBondContact O-N 3.35Å; L632-S636 VanDerWaalsContact O-CB 3.28Å; L632-S636 WeakPolarHBondContact O-CB 3.31Å; L632-S636 PolarHBondContact O-N 3.17Å; L632-S636 PolarHBondContact O-OG 3.06Å; L632-V644 HydrophobicContact CD1-CG1 3.6Å; L632-V644 HydrophobicContact CD2-CG1 4.19Å; L632-V644 HydrophobicContact CG-CG1 3.79Å; L632-A648 HydrophobicContact CB-CB 4.39Å; L632-A648 HydrophobicContact CD2-CB 4.15Å; L632-A648 HydrophobicContact CG-CB 4.21Å
633L89.1Confident79.4Confident0 Ų043.4 Ų43.40%024%0.239CC..Hα-helixtrans-62.6-40.2173.7-175.262000112.1P629 S636 A637 M645 A648 L649 A653 P667 L683P629-L633 WeakPolarHBondContact O-CB 3.38Å; P629-L633 PolarHBondContact O-N 2.99Å; L633-S636 WeakPolarHBondContact CA-OG 3.44Å; L633-S636 PolarHBondContact O-OG 3.04Å; L633-A637 VanDerWaalsContact O-CB 3.24Å; L633-A637 WeakPolarHBondContact O-CB 3.32Å; L633-A637 PolarHBondContact O-N 3.48Å; L633-M645 HydrophobicContact CD1-CB 3.77Å; L633-M645 HydrophobicContact CD1-CE 4.3Å; L633-M645 HydrophobicContact CD1-CG 4.12Å; L633-A648 HydrophobicContact CB-CB 3.98Å; L633-A648 HydrophobicContact CD1-CB 4.48Å; L633-L649 HydrophobicContact CD1-CG 4.28Å; L633-L649 HydrophobicContact CD2-CD2 3.81Å; L633-L649 HydrophobicContact CD2-CG 4.29Å; L633-A653 HydrophobicContact CB-CB 4.12Å; L633-A653 HydrophobicContact CD2-CB 4.06Å; L633-P667 HydrophobicContact CD2-CG 4.27Å; L633-P667 HydrophobicContact CG-CB 4.22Å; L633-P667 HydrophobicContact CG-CG 4.14Å; L633-L683 HydrophobicContact CD1-CD2 3.99Å; L633-L683 HydrophobicContact CD2-CD2 4.19Å; L633-L683 HydrophobicContact CG-CD2 4.23Å
634Y88.4Confident81.2Confident5 Ų539.2 Ų39.22%0.0222%0.218CC..Hα-helixtrans-61.9-50.9177-174.5-94.1000112.7G630 A631 W657 N659 E662 S665 P667 Q670G630-Y634 PolarHBondContact O-N 3.46Å; A631-Y634 WeakPolarHBondContact O-CB 3.09Å; A631-Y634 PolarHBondContact O-N 3.03Å; Y634-W657 HydrophobicContact CD2-CE3 4.45Å; Y634-W657 HydrophobicContact CD2-CZ3 4.33Å; Y634-W657 HydrophobicContact CG-CE3 4.43Å; Y634-W657 HydrophobicContact CG-CZ3 4.06Å; Y634-N659 HydrophobicContact CD2-CB 4.17Å; Y634-N659 HydrophobicContact CE1-CB 4.32Å; Y634-N659 VanDerWaalsContact CE1-ND2 3.31Å; Y634-N659 WeakPolarHBondContact CE1-ND2 3.39Å; Y634-N659 HydrophobicContact CE2-CB 3.88Å; Y634-E662 VanDerWaalsContact CE1-OE2 3.24Å; Y634-E662 WeakPolarHBondContact CE1-OE2 3.4Å; Y634-E662 VanDerWaalsContact CZ-OE2 3.3Å; Y634-E662 PolarHBondContact OH-OE2 2.88Å; Y634-S665 VanDerWaalsContact OH-CB 3.29Å; Y634-S665 WeakPolarHBondContact OH-CB 3.39Å; Y634-S665 PolarHBondContact OH-OG 2.94Å; Y634-P667 HydrophobicContact CD2-CG 4.28Å; Y634-Q670 HydrophobicContact CD1-CG 4.48Å; Y634-Q670 HydrophobicContact CD2-CB 4.17Å; Y634-Q670 HydrophobicContact CE1-CB 4.4Å; Y634-Q670 HydrophobicContact CE1-CG 3.98Å; Y634-Q670 HydrophobicContact CE2-CB 3.64Å; Y634-Q670 HydrophobicContact CE2-CG 4.14Å; Y634-Q670 PolarHBondContact OH-OE1 2.74Å
635R86.8Confident82.8Confident98 Ų9836.7 Ų36.737%0.3721%0.205SC..Hα-helixtrans-68-44178.8-72.8-173.3173.8-174.1-8.4112.3E622 A631 A637 A638 L639E622-R635 IonicContact OE2-CZ 3.5Å; E622-R635 IonicContact OE2-NH1 3.16Å; E622-R635 PolarHBondContact OE2-NH1 3.43Å; E622-R635 IonicContact OE2-NH2 3.8Å; E622-R635 PolarHBondContact OE2-NH2 2.95Å; A631-R635 PolarHBondContact O-N 3.02Å; R635-A637 VanDerWaalsContact C-N 3.28Å; R635-A637 PolarHBondContact O-N 3.32Å; R635-A638 WeakPolarHBondContact O-CB 3.32Å; R635-A638 PolarHBondContact O-N 2.93Å; R635-A638 VanDerWaalsContact O-N 3.12Å; R635-L639 PolarHBondContact O-N 3.5Å
636S88.6Confident84.4Confident2 Ų234.1 Ų34.11%0.01419%0.187CC..Hα-helixtrans-66.3-27.3178.956.90000113.5L632 L633 L639 Q640 N641 M645L632-S636 VanDerWaalsContact O-CB 3.28Å; L632-S636 WeakPolarHBondContact O-CB 3.31Å; L632-S636 PolarHBondContact O-N 3.17Å; L632-S636 PolarHBondContact O-OG 3.06Å; L633-S636 WeakPolarHBondContact CA-OG 3.44Å; L633-S636 PolarHBondContact O-OG 3.04Å; S636-L639 CarbonylContact O-C 3.49Å; S636-L639 PolarHBondContact O-N 2.93Å; S636-Q640 PolarHBondContact O-N 3.35Å; S636-N641 PolarHBondContact O-N 2.98Å; S636-M645 VanDerWaalsContact OG-CG 3.24Å; S636-M645 WeakPolarHBondContact OG-CG 3.49Å
637A88.8Confident85.8Confident0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-63.8-37.8170.500000113L633 R635 M645 P667 A671 L683L633-A637 VanDerWaalsContact O-CB 3.24Å; L633-A637 WeakPolarHBondContact O-CB 3.32Å; L633-A637 PolarHBondContact O-N 3.48Å; R635-A637 VanDerWaalsContact C-N 3.28Å; R635-A637 PolarHBondContact O-N 3.32Å; A637-M645 HydrophobicContact CB-CE 3.79Å; A637-P667 HydrophobicContact CB-CB 4.18Å; A637-A671 HydrophobicContact CB-CB 4.45Å; A637-L683 HydrophobicContact CB-CD1 4.18Å
638A87.1Confident86.8Confident23 Ų2332.4 Ų32.419%0.1917%0.17CC..Hα-helixtrans-67.6-42.2174.200000111.6R635 Q640 Q670R635-A638 WeakPolarHBondContact O-CB 3.32Å; R635-A638 PolarHBondContact O-N 2.93Å; R635-A638 VanDerWaalsContact O-N 3.12Å; A638-Q640 VanDerWaalsContact C-N 3.26Å; A638-Q640 PolarHBondContact O-N 3.07Å; A638-Q670 HydrophobicContact CB-CG 3.83Å
639L86.8Confident87.1Confident120 Ų12028 Ų2863%0.62815%0.151SC*.THydrogen-bonded Turntrans-78.9-2.6-179.5-61.5176.6000114.1R635 S636 N641R635-L639 PolarHBondContact O-N 3.5Å; S636-L639 CarbonylContact O-C 3.49Å; S636-L639 PolarHBondContact O-N 2.93Å; L639-N641 PolarHBondContact O-N 3.47Å
640Q87.4Confident87.3Confident77 Ų7726.9 Ų26.936%0.3614%0.143SC..THydrogen-bonded Turntrans5629.3-175.4-65.5173.192.100114S636 A638 F642 A676 A679S636-Q640 PolarHBondContact O-N 3.35Å; A638-Q640 VanDerWaalsContact C-N 3.26Å; A638-Q640 PolarHBondContact O-N 3.07Å; Q640-F642 VanDerWaalsContact O-CD2 3.27Å; Q640-F642 WeakPolarHBondContact O-CD2 3.35Å; Q640-F642 WeakPolarHBondContact O-CE2 3.34Å; Q640-F642 PolarHBondContact O-N 3.39Å; Q640-F642 VanDerWaalsContact O-N 3.15Å; Q640-A676 HydrophobicContact CG-CB 3.47Å; Q640-A676 VanDerWaalsContact CG-CB 3.47Å; Q640-A679 HydrophobicContact CG-CB 4.43Å
641N87.8Confident87.3Confident60 Ų6029.1 Ų29.132%0.32115%0.154SC..  trans-88.880.4-176.6-171.5-27.1000111S636 L639 P643 V644 M645S636-N641 PolarHBondContact O-N 2.98Å; L639-N641 PolarHBondContact O-N 3.47Å; N641-P643 WeakPolarHBondContact OD1-CD 3.26Å; N641-V644 HydrophobicContact CB-CB 4.33Å; N641-V644 WeakPolarHBondContact ND2-CG2 3.34Å; N641-V644 PolarHBondContact O-N 3.18Å; N641-V644 VanDerWaalsContact O-N 3.11Å; N641-V644 WeakPolarHBondContact OD1-CG2 3.36Å; N641-V644 PolarHBondContact OD1-N 3.41Å; N641-M645 WeakPolarHBondContact O-CG 3.47Å; N641-M645 PolarHBondContact O-N 3.41Å
642F87Confident87.3Confident3 Ų330.8 Ų30.81%0.01317%0.173CC..Hα-helixtrans-54.9-42.4-176.9-54.6-86000114.6L469 E472 L473 Q640 V644 M645 A646 A678 A679 F682L469-F642 HydrophobicContact CD1-CD1 3.63Å; L469-F642 HydrophobicContact CD1-CE1 3.92Å; L469-F642 HydrophobicContact CD1-CG 4.37Å; E472-F642 HydrophobicContact CB-CD2 4.02Å; E472-F642 HydrophobicContact CG-CD2 4.5Å; E472-F642 WeakPolarHBondContact OE2-CD2 3.47Å; E472-F642 VanDerWaalsContact OE2-CE2 3.24Å; E472-F642 WeakPolarHBondContact OE2-CE2 3.24Å; L473-F642 HydrophobicContact CD1-CB 4.24Å; L473-F642 HydrophobicContact CD2-CB 3.77Å; L473-F642 WeakPolarHBondContact CD2-O 3.26Å; L473-F642 HydrophobicContact CG-CB 3.78Å; Q640-F642 VanDerWaalsContact O-CD2 3.27Å; Q640-F642 WeakPolarHBondContact O-CD2 3.35Å; Q640-F642 WeakPolarHBondContact O-CE2 3.34Å; Q640-F642 PolarHBondContact O-N 3.39Å; Q640-F642 VanDerWaalsContact O-N 3.15Å; F642-V644 VanDerWaalsContact C-N 3.32Å; F642-V644 PolarHBondContact O-N 3.24Å; F642-M645 HydrophobicContact CD1-SD 4.31Å; F642-M645 PolarHBondContact O-N 3.45Å; F642-A646 WeakPolarHBondContact O-CB 3.44Å; F642-A646 PolarHBondContact O-N 3.46Å; F642-A678 HydrophobicContact CE1-CB 4.16Å; F642-A678 HydrophobicContact CZ-CB 3.62Å; F642-A679 HydrophobicContact CE1-CB 4.38Å; F642-F682 HydrophobicContact CD1-CB 4.18Å; F642-F682 HydrophobicContact CD1-CG 4.32Å; F642-F682 HydrophobicContact CE1-CB 4.2Å
643P87.8Confident87.3Confident47 Ų4731 Ų3131%0.30518%0.176SC..Hα-helixtrans-53.7-45.4174.2-28.435.9000113.3V477 N641 A646 D647V477-P643 HydrophobicContact CG1-CB 3.82Å; V477-P643 HydrophobicContact CG1-CG 4.04Å; N641-P643 WeakPolarHBondContact OD1-CD 3.26Å; P643-A646 PolarHBondContact O-N 3.16Å; P643-D647 WeakPolarHBondContact O-CB 3.37Å; P643-D647 PolarHBondContact O-N 2.81Å
644V86.7Confident87.3Confident33 Ų3335.2 Ų35.220%0.220%0.198CC..Hα-helixtrans-71.9-35.6178.21760000111.8L632 N641 F642 A646 D647 A648L632-V644 HydrophobicContact CD1-CG1 3.6Å; L632-V644 HydrophobicContact CD2-CG1 4.19Å; L632-V644 HydrophobicContact CG-CG1 3.79Å; N641-V644 HydrophobicContact CB-CB 4.33Å; N641-V644 WeakPolarHBondContact ND2-CG2 3.34Å; N641-V644 PolarHBondContact O-N 3.18Å; N641-V644 VanDerWaalsContact O-N 3.11Å; N641-V644 WeakPolarHBondContact OD1-CG2 3.36Å; N641-V644 PolarHBondContact OD1-N 3.41Å; F642-V644 VanDerWaalsContact C-N 3.32Å; F642-V644 PolarHBondContact O-N 3.24Å; V644-A646 VanDerWaalsContact C-N 3.35Å; V644-D647 PolarHBondContact O-N 3.33Å; V644-A648 WeakPolarHBondContact O-CB 3.35Å; V644-A648 PolarHBondContact O-N 3.35Å
645M88.4Confident87.3Confident0 Ų035.7 Ų35.70%020%0.201CC..Hα-helixtrans-63.7-40.6173.1-62.4172.477.900111.7L633 S636 A637 N641 F642 L649 A679 F682 L683L633-M645 HydrophobicContact CD1-CB 3.77Å; L633-M645 HydrophobicContact CD1-CE 4.3Å; L633-M645 HydrophobicContact CD1-CG 4.12Å; S636-M645 VanDerWaalsContact OG-CG 3.24Å; S636-M645 WeakPolarHBondContact OG-CG 3.49Å; A637-M645 HydrophobicContact CB-CE 3.79Å; N641-M645 WeakPolarHBondContact O-CG 3.47Å; N641-M645 PolarHBondContact O-N 3.41Å; F642-M645 HydrophobicContact CD1-SD 4.31Å; F642-M645 PolarHBondContact O-N 3.45Å; M645-L649 WeakPolarHBondContact O-CG 3.44Å; M645-L649 PolarHBondContact O-N 3.47Å; M645-L649 VanDerWaalsContact O-N 3.12Å; M645-A679 HydrophobicContact CE-CB 4.17Å; M645-A679 HydrophobicContact SD-CB 4.34Å; M645-F682 HydrophobicContact CB-CD1 4.16Å; M645-F682 HydrophobicContact CB-CE1 3.64Å; M645-F682 HydrophobicContact CE-CD1 3.76Å; M645-F682 HydrophobicContact CE-CE1 4.33Å; M645-F682 HydrophobicContact SD-CD1 4.3Å; M645-L683 HydrophobicContact CE-CD1 3.96Å; M645-L683 HydrophobicContact CE-CD2 3.84Å; M645-L683 HydrophobicContact CE-CG 3.68Å
646A87.9Confident87.5Confident5 Ų532.8 Ų32.84%0.04119%0.193CC..Hα-helixtrans-68.7-39.1176.700000111.9L473 I478 I481 F642 P643 V644 L649 A650 F682L473-A646 HydrophobicContact CD2-CB 3.73Å; I478-A646 HydrophobicContact CD1-CB 4.15Å; I481-A646 HydrophobicContact CD1-CB 4.15Å; F642-A646 WeakPolarHBondContact O-CB 3.44Å; F642-A646 PolarHBondContact O-N 3.46Å; P643-A646 PolarHBondContact O-N 3.16Å; V644-A646 VanDerWaalsContact C-N 3.35Å; A646-L649 PolarHBondContact O-N 3.34Å; A646-A650 WeakPolarHBondContact O-CB 3.48Å; A646-A650 PolarHBondContact O-N 3.43Å; A646-F682 HydrophobicContact CB-CZ 4.09Å
647D86.9Confident87.6Confident40 Ų4035.5 Ų35.521%0.21420%0.203CC..Hα-helixtrans-63.7-45.7173.8-171.967.9000111.9I481 P643 V644 L649 A650 H651I481-D647 HydrophobicContact CD1-CB 4.11Å; I481-D647 HydrophobicContact CG1-CB 4.25Å; I481-D647 HydrophobicContact CG2-CB 4.44Å; P643-D647 WeakPolarHBondContact O-CB 3.37Å; P643-D647 PolarHBondContact O-N 2.81Å; V644-D647 PolarHBondContact O-N 3.33Å; D647-L649 VanDerWaalsContact C-N 3.35Å; D647-L649 PolarHBondContact O-N 3Å; D647-A650 CarbonylContact O-C 3.54Å; D647-A650 WeakPolarHBondContact O-CA 3.42Å; D647-A650 VanDerWaalsContact O-CB 3.29Å; D647-A650 WeakPolarHBondContact O-CB 3.42Å; D647-A650 PolarHBondContact O-N 3.48Å; D647-H651 PolarHBondContact O-CD2 2.82Å; D647-H651 PolarHBondContact O-N 3.36Å; D647-H651 IonicContact OD1-CD2 3.95Å; D647-H651 IonicContact OD1-NE2 3.13Å; D647-H651 IonicContact OD2-CD2 2.75Å; D647-H651 PolarHBondContact OD2-CD2 2.84Å
648A87.1Confident87.5Confident0 Ų037.8 Ų37.80%022%0.217CC..Hα-helixtrans-58-43.9174.600000112.4L632 L633 V644 H651 G652 A653L632-A648 HydrophobicContact CB-CB 4.39Å; L632-A648 HydrophobicContact CD2-CB 4.15Å; L632-A648 HydrophobicContact CG-CB 4.21Å; L633-A648 HydrophobicContact CB-CB 3.98Å; L633-A648 HydrophobicContact CD1-CB 4.48Å; V644-A648 WeakPolarHBondContact O-CB 3.35Å; V644-A648 PolarHBondContact O-N 3.35Å; A648-H651 CarbonylContact O-C 3.55Å; A648-H651 PolarHBondContact O-N 2.93Å; A648-G652 PolarHBondContact O-N 3.48Å; A648-G652 VanDerWaalsContact O-N 3.15Å; A648-A653 HydrophobicContact CB-CB 4.12Å; A648-A653 WeakPolarHBondContact O-CB 3.41Å; A648-A653 PolarHBondContact O-N 2.91Å
649L87.9Confident87.3Confident22 Ų2237.9 Ų37.912%0.11521%0.214CC..Hα-helixtrans-67.6-34.4174-70.3172.8000112.5K514 L633 M645 A646 D647 H651 G652 V655 F682 N686K514-L649 PolarHBondContact NZ-O 2.96Å; L633-L649 HydrophobicContact CD1-CG 4.28Å; L633-L649 HydrophobicContact CD2-CD2 3.81Å; L633-L649 HydrophobicContact CD2-CG 4.29Å; M645-L649 WeakPolarHBondContact O-CG 3.44Å; M645-L649 PolarHBondContact O-N 3.47Å; M645-L649 VanDerWaalsContact O-N 3.12Å; A646-L649 PolarHBondContact O-N 3.34Å; D647-L649 VanDerWaalsContact C-N 3.35Å; D647-L649 PolarHBondContact O-N 3Å; L649-H651 VanDerWaalsContact C-N 3.31Å; L649-G652 PolarHBondContact O-N 2.98Å; L649-G652 VanDerWaalsContact O-N 3.09Å; L649-V655 HydrophobicContact CD2-CB 4.06Å; L649-V655 HydrophobicContact CD2-CG2 4.35Å; L649-F682 HydrophobicContact CD1-CE1 3.6Å; L649-F682 HydrophobicContact CD1-CZ 3.7Å; L649-N686 HydrophobicContact CD1-CB 3.73Å
650A85.9Confident87Confident3 Ų338 Ų383%0.02522%0.219CC..Hα-helixtrans-62.5-41.2171.600000110.3I481 Y482 K514 I517 A646 D647 G652I481-A650 HydrophobicContact CG2-CB 3.51Å; Y482-A650 HydrophobicContact CD2-CB 4.43Å; Y482-A650 HydrophobicContact CE1-CB 4.09Å; Y482-A650 HydrophobicContact CE2-CB 3.68Å; Y482-A650 VanDerWaalsContact CZ-CB 3.48Å; Y482-A650 WeakPolarHBondContact OH-CA 3.24Å; Y482-A650 WeakPolarHBondContact OH-CB 3.25Å; K514-A650 VanDerWaalsContact CD-O 3.29Å; K514-A650 WeakPolarHBondContact CD-O 3.2Å; K514-A650 VanDerWaalsContact CE-O 3.27Å; K514-A650 WeakPolarHBondContact CE-O 3.49Å; K514-A650 PolarHBondContact NZ-O 3.3Å; I517-A650 HydrophobicContact CD1-CB 3.74Å; I517-A650 WeakPolarHBondContact CD1-O 3.48Å; A646-A650 WeakPolarHBondContact O-CB 3.48Å; A646-A650 PolarHBondContact O-N 3.43Å; D647-A650 CarbonylContact O-C 3.54Å; D647-A650 WeakPolarHBondContact O-CA 3.42Å; D647-A650 VanDerWaalsContact O-CB 3.29Å; D647-A650 WeakPolarHBondContact O-CB 3.42Å; D647-A650 PolarHBondContact O-N 3.48Å; A650-G652 PolarHBondContact O-N 3.35Å
651H85Confident86.2Confident48 Ų4837.7 Ų37.722%0.22224%0.238CC..THydrogen-bonded Turntrans-70.7-3.3171.4-82.4-63.2000115.9Q518 L520 P629 D647 A648 L649Q518-H651 PolarHBondContact O-CE1 2.9Å; Q518-H651 PolarHBondContact O-NE2 3.35Å; L520-H651 HydrophobicContact CD1-CB 4.02Å; P629-H651 HydrophobicContact CB-CB 4.28Å; P629-H651 HydrophobicContact CG-CB 4.13Å; D647-H651 PolarHBondContact O-CD2 2.82Å; D647-H651 PolarHBondContact O-N 3.36Å; D647-H651 IonicContact OD1-CD2 3.95Å; D647-H651 IonicContact OD1-NE2 3.13Å; D647-H651 IonicContact OD2-CD2 2.75Å; D647-H651 PolarHBondContact OD2-CD2 2.84Å; A648-H651 CarbonylContact O-C 3.55Å; A648-H651 PolarHBondContact O-N 2.93Å; L649-H651 VanDerWaalsContact C-N 3.31Å
652G84.7Confident85.7Confident54 Ų5439.4 Ų39.456%0.55724%0.244SC*.THydrogen-bonded Turntrans85.826.1175.100000114.1A648 L649 A650 D654A648-G652 PolarHBondContact O-N 3.48Å; A648-G652 VanDerWaalsContact O-N 3.15Å; L649-G652 PolarHBondContact O-N 2.98Å; L649-G652 VanDerWaalsContact O-N 3.09Å; A650-G652 PolarHBondContact O-N 3.35Å; G652-D654 PolarHBondContact O-N 3.48Å
653A87.6Confident85.2Confident11 Ų1144 Ų449%0.09127%0.268CS..  trans-51.4135.6162.900000110.7P629 L633 A648 V655P629-A653 VanDerWaalsContact C-CB 3.48Å; P629-A653 HydrophobicContact CB-CB 3.81Å; P629-A653 VanDerWaalsContact O-CB 3.3Å; P629-A653 WeakPolarHBondContact O-CB 3.38Å; L633-A653 HydrophobicContact CB-CB 4.12Å; L633-A653 HydrophobicContact CD2-CB 4.06Å; A648-A653 HydrophobicContact CB-CB 4.12Å; A648-A653 WeakPolarHBondContact O-CB 3.41Å; A648-A653 PolarHBondContact O-N 2.91Å; A653-V655 PolarHBondContact O-N 2.85Å
654D88.3Confident85Confident88 Ų8843.6 Ų43.647%0.47127%0.267SS..  trans-71.1120.9166.2-175.6-0.7000108.5G652 N656 W657G652-D654 PolarHBondContact O-N 3.48Å; D654-N656 PolarHBondContact O-N 3.14Å; D654-N656 WeakPolarHBondContact OD1-CB 3.23Å; D654-N656 PolarHBondContact OD1-N 3.04Å; D654-W657 HydrophobicContact CB-CB 4.24Å; D654-W657 WeakPolarHBondContact O-CB 3.5Å; D654-W657 PolarHBondContact O-N 2.69Å
655V89.3Confident84.9Confident15 Ų1542.5 Ų42.59%0.09126%0.26CS..THydrogen-bonded Turntrans-61.5-21.9176.172.40000112.2L649 A653 L683 N686 A688L649-V655 HydrophobicContact CD2-CB 4.06Å; L649-V655 HydrophobicContact CD2-CG2 4.35Å; A653-V655 PolarHBondContact O-N 2.85Å; V655-L683 HydrophobicContact CG2-CD2 3.92Å; V655-N686 HydrophobicContact CG2-CB 4.3Å; V655-A688 HydrophobicContact CG2-CB 4Å
656N91.1Very high85.1Confident37 Ų3742.6 Ų42.620%0.19826%0.261CS..THydrogen-bonded Turntrans-103.817.7177.7-66.7-55.7000113D654 G687 A688 N689 Q692D654-N656 PolarHBondContact O-N 3.14Å; D654-N656 WeakPolarHBondContact OD1-CB 3.23Å; D654-N656 PolarHBondContact OD1-N 3.04Å; N656-G687 PolarHBondContact ND2-O 2.93Å; N656-A688 WeakPolarHBondContact OD1-CA 3.43Å; N656-N689 WeakPolarHBondContact OD1-CB 3.5Å; N656-N689 PolarHBondContact OD1-N 3.42Å; N656-Q692 PolarHBondContact O-NE2 3.16Å; N656-Q692 PolarHBondContact OD1-OE1 2.78Å
657W90.4Very high85.2Confident60 Ų6042.3 Ų42.323%0.22726%0.259CS..  trans-52.8146.5178-172.979.4000111.6H628 G630 A631 Y634 D654 N659 T666 P667H628-W657 AromaticContact CE1-NE1 3.83Å; H628-W657 AromaticContact ND1-NE1 3.83Å; G630-W657 VanDerWaalsContact O-CE3 3.27Å; A631-W657 HydrophobicContact CB-CH2 3.8Å; A631-W657 HydrophobicContact CB-CZ2 4.19Å; A631-W657 HydrophobicContact CB-CZ3 4.17Å; Y634-W657 HydrophobicContact CD2-CE3 4.45Å; Y634-W657 HydrophobicContact CD2-CZ3 4.33Å; Y634-W657 HydrophobicContact CG-CE3 4.43Å; Y634-W657 HydrophobicContact CG-CZ3 4.06Å; D654-W657 HydrophobicContact CB-CB 4.24Å; D654-W657 WeakPolarHBondContact O-CB 3.5Å; D654-W657 PolarHBondContact O-N 2.69Å; W657-N659 HydrophobicContact CE3-CB 4.47Å; W657-N659 HydrophobicContact CH2-CB 4.1Å; W657-N659 HydrophobicContact CZ3-CB 3.67Å; W657-T666 WeakPolarHBondContact O-CA 3.46Å; W657-P667 WeakPolarHBondContact O-CD 3.29Å
658V86.6Confident85.5Confident47 Ų4740.6 Ų40.629%0.28525%0.25SC..  trans-119.2117.9-172.2175.70000109.2V660 S664 T666 Q692V658-V660 HydrophobicContact CG1-CG2 4.44Å; V658-V660 PolarHBondContact O-N 3.26Å; V658-V660 VanDerWaalsContact O-N 3.13Å; V658-S664 VanDerWaalsContact CG1-CA 3.5Å; V658-S664 VanDerWaalsContact CG1-CB 3.48Å; V658-T666 HydrophobicContact CG2-CG2 4.46Å; V658-Q692 VanDerWaalsContact CG2-NE2 3.33Å
659N83.9Confident85.7Confident25 Ų2541 Ų4113%0.13425%0.252CS..BIsolated β-bridgetrans-77.795.1171.7-170.8-9.5000109.8Y634 W657 G661 E662 S664 S665Y634-N659 HydrophobicContact CD2-CB 4.17Å; Y634-N659 HydrophobicContact CE1-CB 4.32Å; Y634-N659 VanDerWaalsContact CE1-ND2 3.31Å; Y634-N659 WeakPolarHBondContact CE1-ND2 3.39Å; Y634-N659 HydrophobicContact CE2-CB 3.88Å; W657-N659 HydrophobicContact CE3-CB 4.47Å; W657-N659 HydrophobicContact CH2-CB 4.1Å; W657-N659 HydrophobicContact CZ3-CB 3.67Å; N659-G661 PolarHBondContact O-N 2.92Å; N659-G661 PolarHBondContact OD1-N 3.3Å; N659-E662 HydrophobicContact CB-CB 4.35Å; N659-E662 PolarHBondContact ND2-OE1 3.07Å; N659-E662 CarbonylContact O-C 3.47Å; N659-E662 PolarHBondContact O-N 3.25Å; N659-E662 PolarHBondContact OD1-N 3.36Å; N659-S664 WeakPolarHBondContact O-CA 3.37Å; N659-S664 PolarHBondContact O-N 3.24Å; N659-S665 PolarHBondContact N-O 2.97Å
660V79Confident85.9Confident122 Ų12242 Ų4274%0.73926%0.256SS*.THydrogen-bonded Turntrans-64-20.9179.5-1740000112.3V658V658-V660 HydrophobicContact CG1-CG2 4.44Å; V658-V660 PolarHBondContact O-N 3.26Å; V658-V660 VanDerWaalsContact O-N 3.13Å
661G72.1Confident86.1Confident72 Ų7241.9 Ų41.974%0.74226%0.255SS*.THydrogen-bonded Turntrans-79-28.917600000114.1N659N659-G661 PolarHBondContact O-N 2.92Å; N659-G661 PolarHBondContact OD1-N 3.3Å
662E75.9Confident86.5Confident95 Ų9539.6 Ų39.644%0.44424%0.244SC..THydrogen-bonded Turntrans-11473.9180-71.1168.4-130.400110Y634 N659 S664 S665Y634-E662 VanDerWaalsContact CE1-OE2 3.24Å; Y634-E662 WeakPolarHBondContact CE1-OE2 3.4Å; Y634-E662 VanDerWaalsContact CZ-OE2 3.3Å; Y634-E662 PolarHBondContact OH-OE2 2.88Å; N659-E662 HydrophobicContact CB-CB 4.35Å; N659-E662 PolarHBondContact ND2-OE1 3.07Å; N659-E662 CarbonylContact O-C 3.47Å; N659-E662 PolarHBondContact O-N 3.25Å; N659-E662 PolarHBondContact OD1-N 3.36Å; E662-S664 PolarHBondContact O-N 3.47Å; E662-S665 WeakPolarHBondContact O-CB 3.39Å; E662-S665 PolarHBondContact O-N 3.47Å
663D77.6Confident86.7Confident99 Ų9939.8 Ų39.853%0.52924%0.237SC..THydrogen-bonded Turntrans53.327.1171.8-93-28.3000115.6S665 S695D663-S665 PolarHBondContact O-N 3.15Å; D663-S695 WeakPolarHBondContact O-CB 3.06Å; D663-S695 PolarHBondContact O-N 3Å; D663-S695 PolarHBondContact O-OG 3.33Å; D663-S695 PolarHBondContact OD1-OG 3.07Å
664S83.2Confident86.8Confident39 Ų3942.4 Ų42.427%0.27325%0.252SS..THydrogen-bonded Turntrans57.530.4-172.4-59.90000113.5V658 N659 E662V658-S664 VanDerWaalsContact CG1-CA 3.5Å; V658-S664 VanDerWaalsContact CG1-CB 3.48Å; N659-S664 WeakPolarHBondContact O-CA 3.37Å; N659-S664 PolarHBondContact O-N 3.24Å; E662-S664 PolarHBondContact O-N 3.47Å
665S85.3Confident86.8Confident10 Ų1041 Ų417%0.0724%0.244CC..BIsolated β-bridgetrans-61.6144.4173.7-177.50000111.1Y634 N659 E662 D663Y634-S665 VanDerWaalsContact OH-CB 3.29Å; Y634-S665 WeakPolarHBondContact OH-CB 3.39Å; Y634-S665 PolarHBondContact OH-OG 2.94Å; N659-S665 PolarHBondContact N-O 2.97Å; E662-S665 WeakPolarHBondContact O-CB 3.39Å; E662-S665 PolarHBondContact O-N 3.47Å; D663-S665 PolarHBondContact O-N 3.15Å
666T90.6Very high86.7Confident2 Ų240.3 Ų40.31%0.01224%0.24CC..  trans-102.4161175.2630000110.4W657 V658 L668 I669 Q670 Q692W657-T666 WeakPolarHBondContact O-CA 3.46Å; V658-T666 HydrophobicContact CG2-CG2 4.46Å; T666-L668 PolarHBondContact O-N 2.92Å; T666-I669 PolarHBondContact O-N 3.49Å; T666-I669 WeakPolarHBondContact OG1-CG1 3.35Å; T666-I669 PolarHBondContact OG1-N 3.4Å; T666-Q670 PolarHBondContact O-N 2.87Å; T666-Q692 HydrophobicContact CG2-CB 4.47Å; T666-Q692 HydrophobicContact CG2-CG 3.84Å; T666-Q692 VanDerWaalsContact CG2-NE2 3.31Å
667P91.2Very high86.5Confident0 Ų040 Ų400%024%0.238CC..Hα-helixtrans-51-31.8171.2-27.933.4000113.2L633 Y634 A637 W657 A671 L683L633-P667 HydrophobicContact CD2-CG 4.27Å; L633-P667 HydrophobicContact CG-CB 4.22Å; L633-P667 HydrophobicContact CG-CG 4.14Å; Y634-P667 HydrophobicContact CD2-CG 4.28Å; A637-P667 HydrophobicContact CB-CB 4.18Å; W657-P667 WeakPolarHBondContact O-CD 3.29Å; P667-A671 WeakPolarHBondContact O-CB 3.47Å; P667-A671 PolarHBondContact O-N 2.89Å; P667-L683 HydrophobicContact CB-CD1 3.95Å; P667-L683 HydrophobicContact CB-CD2 4.15Å; P667-L683 WeakPolarHBondContact O-CD1 3.45Å
668L92.9Very high86.3Confident3 Ų337.3 Ų37.32%0.01623%0.229CC..Hα-helixtrans-71.6-42.5176.7-17461.3000112.4T666 Q670 A671 V672 C680 L683 L684 A688 P700 F716T666-L668 PolarHBondContact O-N 2.92Å; L668-Q670 VanDerWaalsContact C-N 3.33Å; L668-A671 PolarHBondContact O-N 3.42Å; L668-V672 WeakPolarHBondContact O-CG2 3.28Å; L668-V672 PolarHBondContact O-N 3.12Å; L668-V672 VanDerWaalsContact O-N 3.16Å; L668-C680 HydrophobicContact CD1-CB 3.84Å; L668-L683 HydrophobicContact CB-CD1 4.36Å; L668-L683 HydrophobicContact CD1-CB 4.21Å; L668-L683 HydrophobicContact CD1-CD1 4.38Å; L668-L684 HydrophobicContact CD1-CG 4.19Å; L668-L684 HydrophobicContact CD2-CD2 3.9Å; L668-L684 HydrophobicContact CD2-CG 4.33Å; L668-A688 HydrophobicContact CB-CB 4.38Å; L668-A688 HydrophobicContact CD2-CB 3.98Å; L668-P700 HydrophobicContact CD2-CB 4.32Å; L668-P700 HydrophobicContact CD2-CG 3.73Å; L668-P700 HydrophobicContact CG-CB 4.36Å; L668-P700 HydrophobicContact CG-CG 4.01Å; L668-F716 HydrophobicContact CD1-CE1 4.04Å; L668-F716 HydrophobicContact CD1-CZ 4.33Å; L668-F716 HydrophobicContact CD2-CE1 4.36Å; L668-F716 HydrophobicContact CG-CE1 4.36Å
669I91.6Very high86.3Confident8 Ų835 Ų354%0.04122%0.215CC..Hα-helixtrans-66.6-38175-67.5172.9000110.5T666 V672 S673 D694 P700T666-I669 PolarHBondContact O-N 3.49Å; T666-I669 WeakPolarHBondContact OG1-CG1 3.35Å; T666-I669 PolarHBondContact OG1-N 3.4Å; I669-V672 WeakPolarHBondContact O-CB 3.3Å; I669-V672 PolarHBondContact O-N 2.9Å; I669-V672 VanDerWaalsContact O-N 3.09Å; I669-S673 PolarHBondContact O-N 3.23Å; I669-S673 VanDerWaalsContact O-N 3.13Å; I669-D694 HydrophobicContact CD1-CB 4.07Å; I669-P700 HydrophobicContact CG1-CG 4.02Å
670Q91.5Very high86.6Confident44 Ų4433.9 Ų33.921%0.20621%0.209CC..Hα-helixtrans-66.6-38.9176.3-171.265.5-12.400112.4Y634 A638 T666 L668 V672 S673Y634-Q670 HydrophobicContact CD1-CG 4.48Å; Y634-Q670 HydrophobicContact CD2-CB 4.17Å; Y634-Q670 HydrophobicContact CE1-CB 4.4Å; Y634-Q670 HydrophobicContact CE1-CG 3.98Å; Y634-Q670 HydrophobicContact CE2-CB 3.64Å; Y634-Q670 HydrophobicContact CE2-CG 4.14Å; Y634-Q670 PolarHBondContact OH-OE1 2.74Å; A638-Q670 HydrophobicContact CB-CG 3.83Å; T666-Q670 PolarHBondContact O-N 2.87Å; L668-Q670 VanDerWaalsContact C-N 3.33Å; Q670-V672 PolarHBondContact O-N 3.1Å; Q670-S673 PolarHBondContact O-N 3.32Å; Q670-S673 PolarHBondContact O-OG 2.93Å; Q670-S673 PolarHBondContact OE1-OG 3.22Å
671A91.4Very high87Confident0 Ų028.2 Ų28.20%017%0.174CC..Hα-helixtrans-63.2-29170.800000112.9A637 P667 L668 V674 N675 A676 A679 C680 L683A637-A671 HydrophobicContact CB-CB 4.45Å; P667-A671 WeakPolarHBondContact O-CB 3.47Å; P667-A671 PolarHBondContact O-N 2.89Å; L668-A671 PolarHBondContact O-N 3.42Å; A671-V674 WeakPolarHBondContact O-CG2 3.38Å; A671-N675 PolarHBondContact O-N 3.04Å; A671-A676 HydrophobicContact CB-CB 4.31Å; A671-A676 WeakPolarHBondContact O-CB 3.35Å; A671-A676 PolarHBondContact O-N 3.37Å; A671-A679 HydrophobicContact CB-CB 3.98Å; A671-C680 WeakPolarHBondContact CB-SG 3.31Å; A671-L683 HydrophobicContact CB-CD1 4.34Å
672V92.4Very high87.8Confident0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-70.1-37.6174.9170.60000112.5L668 I669 Q670 V674 N675 P700 H703 A704 L707 H709 L712 F716L668-V672 WeakPolarHBondContact O-CG2 3.28Å; L668-V672 PolarHBondContact O-N 3.12Å; L668-V672 VanDerWaalsContact O-N 3.16Å; I669-V672 WeakPolarHBondContact O-CB 3.3Å; I669-V672 PolarHBondContact O-N 2.9Å; I669-V672 VanDerWaalsContact O-N 3.09Å; Q670-V672 PolarHBondContact O-N 3.1Å; V672-V674 VanDerWaalsContact C-N 3.29Å; V672-V674 PolarHBondContact O-N 2.99Å; V672-N675 PolarHBondContact O-N 3.37Å; V672-N675 VanDerWaalsContact O-N 3.09Å; V672-P700 HydrophobicContact CG2-CB 4.32Å; V672-H703 HydrophobicContact CG1-CB 3.69Å; V672-A704 HydrophobicContact CG1-CB 3.99Å; V672-L707 HydrophobicContact CG1-CD1 4.45Å; V672-H709 PolarHBondContact O-CE1 3.07Å; V672-H709 PolarHBondContact O-ND1 3.38Å; V672-L712 HydrophobicContact CB-CD1 4.32Å; V672-L712 HydrophobicContact CG1-CD1 4.18Å; V672-L712 HydrophobicContact CG2-CD1 4.23Å; V672-F716 HydrophobicContact CG2-CE2 3.41Å; V672-F716 VanDerWaalsContact CG2-CE2 3.41Å; V672-F716 HydrophobicContact CG2-CZ 3.29Å
673S89.7Confident88.5Confident59 Ų5920.4 Ų20.441%0.41312%0.119SC..Hα-helixtrans-61.8-38.3-177.374.50000112.1I669 Q670I669-S673 PolarHBondContact O-N 3.23Å; I669-S673 VanDerWaalsContact O-N 3.13Å; Q670-S673 PolarHBondContact O-N 3.32Å; Q670-S673 PolarHBondContact O-OG 2.93Å; Q670-S673 PolarHBondContact OE1-OG 3.22Å
674V89.1Confident89.1Confident65 Ų6516.3 Ų16.339%0.39410%0.097SC..THydrogen-bonded Turntrans-88.37176.3-62.70000114.6A671 V672 A676A671-V674 WeakPolarHBondContact O-CG2 3.38Å; V672-V674 VanDerWaalsContact C-N 3.29Å; V672-V674 PolarHBondContact O-N 2.99Å; V674-A676 VanDerWaalsContact C-N 3.27Å; V674-A676 HydrophobicContact CG2-CB 3.67Å; V674-A676 PolarHBondContact O-N 3.06Å
675N88.6Confident89.3Confident60 Ų6015.1 Ų15.132%0.3219%0.087SC..THydrogen-bonded Turntrans5830.3-175.1-162.633000114.7A671 V672 L677 H709 L712A671-N675 PolarHBondContact O-N 3.04Å; V672-N675 PolarHBondContact O-N 3.37Å; V672-N675 VanDerWaalsContact O-N 3.09Å; N675-L677 PolarHBondContact O-N 3.23Å; N675-H709 VanDerWaalsContact CB-CE1 3.49Å; N675-H709 WeakPolarHBondContact CB-CE1 3.32Å; N675-H709 VanDerWaalsContact OD1-CG 3.3Å; N675-H709 PolarHBondContact OD1-ND1 3.27Å; N675-L712 WeakPolarHBondContact OD1-CD1 3.46Å
676A87.4Confident89.5Confident0 Ų016.6 Ų16.60%09%0.094CC..  trans-80.877.6-176.100000112.5Q640 A671 V674 A678 A679 C680Q640-A676 HydrophobicContact CG-CB 3.47Å; Q640-A676 VanDerWaalsContact CG-CB 3.47Å; A671-A676 HydrophobicContact CB-CB 4.31Å; A671-A676 WeakPolarHBondContact O-CB 3.35Å; A671-A676 PolarHBondContact O-N 3.37Å; V674-A676 VanDerWaalsContact C-N 3.27Å; V674-A676 HydrophobicContact CG2-CB 3.67Å; V674-A676 PolarHBondContact O-N 3.06Å; A676-A678 VanDerWaalsContact C-N 3.31Å; A676-A678 PolarHBondContact O-N 3.5Å; A676-A679 HydrophobicContact CB-CB 3.79Å; A676-A679 PolarHBondContact O-N 3.41Å; A676-C680 PolarHBondContact O-N 3.35Å; A676-C680 PolarHBondContact O-SG 3.04Å
677L86.6Confident89.4Confident29 Ų2918.6 Ų18.615%0.15211%0.114CC..Hα-helixtrans-50.7-45.5180-172.164.1000113.3E464 N675 C680 E681 L712 L715 A784E464-L677 HydrophobicContact CG-CD2 4.04Å; N675-L677 PolarHBondContact O-N 3.23Å; L677-C680 PolarHBondContact O-N 2.9Å; L677-E681 PolarHBondContact O-N 3.36Å; L677-L712 HydrophobicContact CD1-CD2 3.86Å; L677-L712 HydrophobicContact CD1-CG 4.25Å; L677-L715 HydrophobicContact CD1-CB 4.12Å; L677-L715 HydrophobicContact CD1-CD2 3.82Å; L677-A784 HydrophobicContact CD2-CB 4.18Å
678A84.9Confident89.4Confident4 Ų419 Ų193%0.03312%0.118CC..Hα-helixtrans-73.7-35.4-178.400000113.2K468 F642 A676 E681 F682K468-A678 HydrophobicContact CB-CB 3.66Å; K468-A678 HydrophobicContact CD-CB 3.93Å; K468-A678 HydrophobicContact CG-CB 4.44Å; F642-A678 HydrophobicContact CE1-CB 4.16Å; F642-A678 HydrophobicContact CZ-CB 3.62Å; A676-A678 VanDerWaalsContact C-N 3.31Å; A676-A678 PolarHBondContact O-N 3.5Å; A678-E681 PolarHBondContact O-N 3.13Å; A678-F682 PolarHBondContact O-N 2.83Å
679A88Confident89.3Confident0 Ų022.5 Ų22.50%014%0.137CC..Hα-helixtrans-66.3-39.4173.100000111.3Q640 F642 M645 A671 A676 F682 L683Q640-A679 HydrophobicContact CG-CB 4.43Å; F642-A679 HydrophobicContact CE1-CB 4.38Å; M645-A679 HydrophobicContact CE-CB 4.17Å; M645-A679 HydrophobicContact SD-CB 4.34Å; A671-A679 HydrophobicContact CB-CB 3.98Å; A676-A679 HydrophobicContact CB-CB 3.79Å; A676-A679 PolarHBondContact O-N 3.41Å; A679-F682 PolarHBondContact O-N 3.21Å; A679-L683 WeakPolarHBondContact O-CB 3.22Å; A679-L683 VanDerWaalsContact O-CG 3.28Å; A679-L683 WeakPolarHBondContact O-CG 3Å; A679-L683 PolarHBondContact O-N 3.08Å
680C89.9Confident89.4Confident0 Ų022.8 Ų22.80%014%0.139CC..Hα-helixtrans-59.7-47.1171.7-65.70000111.5L668 A671 A676 L677 L683 L684 L712 L715 F716L668-C680 HydrophobicContact CD1-CB 3.84Å; A671-C680 WeakPolarHBondContact CB-SG 3.31Å; A676-C680 PolarHBondContact O-N 3.35Å; A676-C680 PolarHBondContact O-SG 3.04Å; L677-C680 PolarHBondContact O-N 2.9Å; C680-L683 PolarHBondContact O-N 3.46Å; C680-L684 WeakPolarHBondContact O-CB 3.44Å; C680-L684 WeakPolarHBondContact O-CD1 3.49Å; C680-L684 WeakPolarHBondContact O-CG 3.44Å; C680-L684 PolarHBondContact O-N 2.9Å; C680-L712 HydrophobicContact CB-CD2 3.84Å; C680-L712 WeakPolarHBondContact SG-CD2 3.35Å; C680-L715 HydrophobicContact CB-CD2 3.98Å; C680-F716 HydrophobicContact CB-CE1 4.33Å; C680-F716 HydrophobicContact CB-CZ 4.35Å
681E87.5Confident89.4Confident4 Ų424.1 Ų24.12%0.01915%0.147CC..Hα-helixtrans-61.2-45177.5174.255.1-16700112.3L465 L677 A678 L683 L684 Q685 L715 R719L465-E681 HydrophobicContact CD1-CG 4.15Å; L677-E681 PolarHBondContact O-N 3.36Å; A678-E681 PolarHBondContact O-N 3.13Å; E681-L683 PolarHBondContact O-N 3.33Å; E681-L684 PolarHBondContact O-N 3.01Å; E681-Q685 WeakPolarHBondContact O-CG 3.23Å; E681-Q685 PolarHBondContact O-N 3.34Å; E681-Q685 VanDerWaalsContact OE1-CG 3.28Å; E681-Q685 WeakPolarHBondContact OE1-CG 3.22Å; E681-Q685 PolarHBondContact OE1-NE2 3.05Å; E681-L715 HydrophobicContact CB-CD2 4.31Å; E681-R719 IonicContact OE1-CZ 3.95Å; E681-R719 IonicContact OE1-NH1 3.08Å; E681-R719 PolarHBondContact OE1-NH1 2.83Å; E681-R719 VanDerWaalsContact OE1-NH1 3.15Å; E681-R719 IonicContact OE1-NH2 3.5Å; E681-R719 PolarHBondContact OE1-NH2 2.99Å; E681-R719 IonicContact OE2-CZ 3.91Å; E681-R719 IonicContact OE2-NE 2.9Å; E681-R719 IonicContact OE2-NH1 3.88Å; E681-R719 PolarHBondContact OE2-NH1 3.02Å; E681-R719 IonicContact OE2-NH2 3.83Å; E681-R719 PolarHBondContact OE2-NH2 3.41Å
682F88.4Confident89.4Confident3 Ų326 Ų261%0.01316%0.156CC..Hα-helixtrans-59.4-45.3176.3176.3-109.7000113N430 L469 L473 F642 M645 A646 L649 A678 A679 Q685 N686N430-F682 WeakPolarHBondContact O-CE2 3.34Å; L469-F682 HydrophobicContact CD1-CB 3.73Å; L469-F682 HydrophobicContact CD1-CD2 3.62Å; L469-F682 HydrophobicContact CD1-CG 3.97Å; L469-F682 HydrophobicContact CD2-CB 4.17Å; L469-F682 HydrophobicContact CD2-CD2 4.06Å; L469-F682 HydrophobicContact CG-CD2 4.39Å; L473-F682 HydrophobicContact CD1-CD2 3.82Å; L473-F682 HydrophobicContact CD1-CE2 3.47Å; L473-F682 VanDerWaalsContact CD1-CE2 3.47Å; L473-F682 HydrophobicContact CD1-CZ 4.26Å; F642-F682 HydrophobicContact CD1-CB 4.18Å; F642-F682 HydrophobicContact CD1-CG 4.32Å; F642-F682 HydrophobicContact CE1-CB 4.2Å; M645-F682 HydrophobicContact CB-CD1 4.16Å; M645-F682 HydrophobicContact CB-CE1 3.64Å; M645-F682 HydrophobicContact CE-CD1 3.76Å; M645-F682 HydrophobicContact CE-CE1 4.33Å; M645-F682 HydrophobicContact SD-CD1 4.3Å; A646-F682 HydrophobicContact CB-CZ 4.09Å; L649-F682 HydrophobicContact CD1-CE1 3.6Å; L649-F682 HydrophobicContact CD1-CZ 3.7Å; A678-F682 PolarHBondContact O-N 2.83Å; A679-F682 PolarHBondContact O-N 3.21Å; F682-Q685 PolarHBondContact O-N 2.9Å; F682-N686 WeakPolarHBondContact CD2-ND2 3.34Å; F682-N686 WeakPolarHBondContact CE2-ND2 3.46Å; F682-N686 WeakPolarHBondContact CZ-ND2 3.25Å; F682-N686 PolarHBondContact O-N 3.14Å; F682-N686 PolarHBondContact O-ND2 2.97Å
683L90.6Very high89.2Confident0 Ų028.2 Ų28.20%017%0.174CC..Hα-helixtrans-63.6-44.3178.1-72169.3000111L633 A637 M645 V655 P667 L668 A671 A679 C680 E681 Q685 N686 G687 A688L633-L683 HydrophobicContact CD1-CD2 3.99Å; L633-L683 HydrophobicContact CD2-CD2 4.19Å; L633-L683 HydrophobicContact CG-CD2 4.23Å; A637-L683 HydrophobicContact CB-CD1 4.18Å; M645-L683 HydrophobicContact CE-CD1 3.96Å; M645-L683 HydrophobicContact CE-CD2 3.84Å; M645-L683 HydrophobicContact CE-CG 3.68Å; V655-L683 HydrophobicContact CG2-CD2 3.92Å; P667-L683 HydrophobicContact CB-CD1 3.95Å; P667-L683 HydrophobicContact CB-CD2 4.15Å; P667-L683 WeakPolarHBondContact O-CD1 3.45Å; L668-L683 HydrophobicContact CB-CD1 4.36Å; L668-L683 HydrophobicContact CD1-CB 4.21Å; L668-L683 HydrophobicContact CD1-CD1 4.38Å; A671-L683 HydrophobicContact CB-CD1 4.34Å; A679-L683 WeakPolarHBondContact O-CB 3.22Å; A679-L683 VanDerWaalsContact O-CG 3.28Å; A679-L683 WeakPolarHBondContact O-CG 3Å; A679-L683 PolarHBondContact O-N 3.08Å; C680-L683 PolarHBondContact O-N 3.46Å; E681-L683 PolarHBondContact O-N 3.33Å; L683-Q685 VanDerWaalsContact C-N 3.32Å; L683-Q685 PolarHBondContact O-N 2.95Å; L683-N686 CarbonylContact O-C 3.57Å; L683-N686 PolarHBondContact O-N 2.92Å; L683-N686 VanDerWaalsContact O-N 3.09Å; L683-G687 PolarHBondContact O-N 3.39Å; L683-G687 VanDerWaalsContact O-N 3.08Å; L683-A688 VanDerWaalsContact C-CB 3.47Å; L683-A688 HydrophobicContact CB-CB 3.9Å; L683-A688 VanDerWaalsContact O-CB 3.25Å; L683-A688 WeakPolarHBondContact O-CB 3.49Å; L683-A688 PolarHBondContact O-N 2.91Å
684L90.1Very high89.2Confident13 Ų1326.1 Ų26.17%0.06816%0.159CC..Hα-helixtrans-63.5-35.7174.5-69.6164.2000112.2L668 C680 E681 N686 G687 V690 L715 F716 R719L668-L684 HydrophobicContact CD1-CG 4.19Å; L668-L684 HydrophobicContact CD2-CD2 3.9Å; L668-L684 HydrophobicContact CD2-CG 4.33Å; C680-L684 WeakPolarHBondContact O-CB 3.44Å; C680-L684 WeakPolarHBondContact O-CD1 3.49Å; C680-L684 WeakPolarHBondContact O-CG 3.44Å; C680-L684 PolarHBondContact O-N 2.9Å; E681-L684 PolarHBondContact O-N 3.01Å; L684-N686 VanDerWaalsContact C-N 3.3Å; L684-N686 PolarHBondContact O-N 3.09Å; L684-G687 PolarHBondContact O-N 3.36Å; L684-V690 HydrophobicContact CD2-CB 3.82Å; L684-V690 HydrophobicContact CD2-CG2 4.03Å; L684-L715 HydrophobicContact CD1-CD1 4.49Å; L684-L715 HydrophobicContact CD1-CD2 4.13Å; L684-L715 HydrophobicContact CD1-CG 4.14Å; L684-F716 HydrophobicContact CD1-CD1 4.03Å; L684-F716 HydrophobicContact CD1-CE1 3.91Å; L684-R719 HydrophobicContact CD1-CG 4.18Å
685Q87.8Confident89.2Confident14 Ų1425 Ų257%0.06515%0.154CC..Hα-helixtrans-68.1-29.5172.8-69.7-62.94.100112.8I429 N430 K452 E681 F682 L683I429-Q685 HydrophobicContact CG1-CG 4.48Å; N430-Q685 HydrophobicContact CB-CB 3.93Å; N430-Q685 WeakPolarHBondContact CB-O 3.47Å; K452-Q685 VanDerWaalsContact CD-OE1 3.26Å; K452-Q685 VanDerWaalsContact CE-O 3.29Å; K452-Q685 WeakPolarHBondContact CE-O 3.41Å; K452-Q685 PolarHBondContact NZ-O 2.98Å; E681-Q685 WeakPolarHBondContact O-CG 3.23Å; E681-Q685 PolarHBondContact O-N 3.34Å; E681-Q685 VanDerWaalsContact OE1-CG 3.28Å; E681-Q685 WeakPolarHBondContact OE1-CG 3.22Å; E681-Q685 PolarHBondContact OE1-NE2 3.05Å; F682-Q685 PolarHBondContact O-N 2.9Å; L683-Q685 VanDerWaalsContact C-N 3.32Å; L683-Q685 PolarHBondContact O-N 2.95Å
686N89.1Confident89Confident41 Ų4124.3 Ų24.322%0.21915%0.15CC..THydrogen-bonded Turntrans-92.110.1175.1-73.4-74.7000114.7N430 L649 V655 F682 L683 L684N430-N686 PolarHBondContact ND2-OD1 3.48Å; N430-N686 PolarHBondContact O-ND2 2.86Å; N430-N686 PolarHBondContact O-OD1 3.33Å; L649-N686 HydrophobicContact CD1-CB 3.73Å; V655-N686 HydrophobicContact CG2-CB 4.3Å; F682-N686 WeakPolarHBondContact CD2-ND2 3.34Å; F682-N686 WeakPolarHBondContact CE2-ND2 3.46Å; F682-N686 WeakPolarHBondContact CZ-ND2 3.25Å; F682-N686 PolarHBondContact O-N 3.14Å; F682-N686 PolarHBondContact O-ND2 2.97Å; L683-N686 CarbonylContact O-C 3.57Å; L683-N686 PolarHBondContact O-N 2.92Å; L683-N686 VanDerWaalsContact O-N 3.09Å; L684-N686 VanDerWaalsContact C-N 3.3Å; L684-N686 PolarHBondContact O-N 3.09Å
687G88.7Confident89Confident43 Ų4325.6 Ų25.644%0.44316%0.163SC..THydrogen-bonded Turntrans9819.4169.300000115.6N656 L683 L684 N689N656-G687 PolarHBondContact ND2-O 2.93Å; L683-G687 PolarHBondContact O-N 3.39Å; L683-G687 VanDerWaalsContact O-N 3.08Å; L684-G687 PolarHBondContact O-N 3.36Å; G687-N689 PolarHBondContact O-N 3.49Å
688A91.1Very high89.2Confident10 Ų1027.5 Ų27.58%0.08317%0.169CC..  trans-57.6136.4168.900000111.3V655 N656 L668 L683 V690V655-A688 HydrophobicContact CG2-CB 4Å; N656-A688 WeakPolarHBondContact OD1-CA 3.43Å; L668-A688 HydrophobicContact CB-CB 4.38Å; L668-A688 HydrophobicContact CD2-CB 3.98Å; L683-A688 VanDerWaalsContact C-CB 3.47Å; L683-A688 HydrophobicContact CB-CB 3.9Å; L683-A688 VanDerWaalsContact O-CB 3.25Å; L683-A688 WeakPolarHBondContact O-CB 3.49Å; L683-A688 PolarHBondContact O-N 2.91Å; A688-V690 PolarHBondContact O-N 2.97Å
689N91.4Very high89.5Confident75 Ų7527.6 Ų27.640%0.40117%0.17SC..  trans-80.8105.7177.9178.24.2000109.7N656 G687 N691 Q692N656-N689 WeakPolarHBondContact OD1-CB 3.5Å; N656-N689 PolarHBondContact OD1-N 3.42Å; G687-N689 PolarHBondContact O-N 3.49Å; N689-N691 PolarHBondContact O-N 2.62Å; N689-N691 PolarHBondContact OD1-N 3.34Å; N689-Q692 HydrophobicContact CB-CB 3.99Å; N689-Q692 PolarHBondContact O-N 3.49Å; N689-Q692 VanDerWaalsContact O-N 3.08Å
690V92.9Very high89.7Confident14 Ų1427.6 Ų27.69%0.08517%0.17CC..THydrogen-bonded Turntrans-57.5-17179.475.20000114.2L684 A688 P700 F716 R719 A721L684-V690 HydrophobicContact CD2-CB 3.82Å; L684-V690 HydrophobicContact CD2-CG2 4.03Å; A688-V690 PolarHBondContact O-N 2.97Å; V690-P700 WeakPolarHBondContact O-CD 3.47Å; V690-F716 HydrophobicContact CG2-CB 4.03Å; V690-F716 HydrophobicContact CG2-CD1 3.65Å; V690-F716 HydrophobicContact CG2-CG 4.13Å; V690-R719 HydrophobicContact CG2-CB 4.35Å; V690-A721 HydrophobicContact CG1-CB 4.47Å; V690-A721 HydrophobicContact CG2-CB 3.91Å
691N91.8Very high89.9Confident72 Ų7227.8 Ų27.839%0.38517%0.171SC..THydrogen-bonded Turntrans-111.98.3-178.2-65.7-43.4000113.8N689 A693 A721 D722N689-N691 PolarHBondContact O-N 2.62Å; N689-N691 PolarHBondContact OD1-N 3.34Å; N691-A693 PolarHBondContact O-N 2.66Å; N691-A721 VanDerWaalsContact OD1-CA 3.3Å; N691-A721 WeakPolarHBondContact OD1-CA 3.34Å; N691-D722 PolarHBondContact OD1-N 2.96Å
692Q90.9Very high90.2Very high39 Ų3927.9 Ų27.918%0.18217%0.171CC..  trans-72.2115178-175163.3-26.100110.5N656 V658 T666 N689 P700N656-Q692 PolarHBondContact O-NE2 3.16Å; N656-Q692 PolarHBondContact OD1-OE1 2.78Å; V658-Q692 VanDerWaalsContact CG2-NE2 3.33Å; T666-Q692 HydrophobicContact CG2-CB 4.47Å; T666-Q692 HydrophobicContact CG2-CG 3.84Å; T666-Q692 VanDerWaalsContact CG2-NE2 3.31Å; N689-Q692 HydrophobicContact CB-CB 3.99Å; N689-Q692 PolarHBondContact O-N 3.49Å; N689-Q692 VanDerWaalsContact O-N 3.08Å; Q692-P700 WeakPolarHBondContact O-CD 3.5Å
693A89.6Confident90.3Very high47 Ų4729.5 Ų29.539%0.38818%0.179SC..  trans-84.9150.4-178.600000112.9N691 R698N691-A693 PolarHBondContact O-N 2.66Å; A693-R698 WeakPolarHBondContact CA-O 3.47Å
694D89.3Confident90.4Very high16 Ų1629.5 Ų29.59%0.08618%0.179CC..  trans-71.1-176.9167.670.66.3000112.7I669 N696 G697 R698 H703I669-D694 HydrophobicContact CD1-CB 4.07Å; D694-N696 PolarHBondContact O-N 3.48Å; D694-N696 VanDerWaalsContact OD1-C 3.24Å; D694-N696 WeakPolarHBondContact OD1-CA 3.39Å; D694-N696 WeakPolarHBondContact OD1-CB 3.46Å; D694-N696 PolarHBondContact OD1-N 3.33Å; D694-G697 PolarHBondContact O-N 3.23Å; D694-G697 VanDerWaalsContact O-N 3.08Å; D694-G697 PolarHBondContact OD1-N 3.01Å; D694-R698 PolarHBondContact N-O 2.85Å; D694-R698 WeakPolarHBondContact OD1-CB 3.38Å; D694-R698 PolarHBondContact OD1-N 2.97Å; D694-H703 IonicContact OD2-CE1 2.81Å; D694-H703 PolarHBondContact OD2-CE1 2.91Å; D694-H703 VanDerWaalsContact OD2-CE1 3.31Å; D694-H703 IonicContact OD2-NE2 2.71Å; D694-H703 PolarHBondContact OD2-NE2 3.37Å
695S88.1Confident90.5Very high42 Ų4228.9 Ų28.929%0.29418%0.176SC..THydrogen-bonded Turntrans-55.9-22.7175.576.20000113D663 K728D663-S695 WeakPolarHBondContact O-CB 3.06Å; D663-S695 PolarHBondContact O-N 3Å; D663-S695 PolarHBondContact O-OG 3.33Å; D663-S695 PolarHBondContact OD1-OG 3.07Å; S695-K728 WeakPolarHBondContact O-CE 3.18Å; S695-K728 PolarHBondContact O-NZ 3.28Å
696N85.7Confident90.7Very high44 Ų4430.9 Ų30.924%0.23519%0.186CC..THydrogen-bonded Turntrans-97.25.5-176.9-67-49.2000114D694 R698 K728D694-N696 PolarHBondContact O-N 3.48Å; D694-N696 VanDerWaalsContact OD1-C 3.24Å; D694-N696 WeakPolarHBondContact OD1-CA 3.39Å; D694-N696 WeakPolarHBondContact OD1-CB 3.46Å; D694-N696 PolarHBondContact OD1-N 3.33Å; N696-R698 HydrophobicContact CB-CG 4.41Å; N696-R698 PolarHBondContact O-N 2.56Å; N696-K728 HydrophobicContact CB-CD 4.5Å; N696-K728 WeakPolarHBondContact O-CG 3.24Å; N696-K728 PolarHBondContact O-N 2.88Å; N696-K728 VanDerWaalsContact O-N 3.08Å; N696-K728 PolarHBondContact OD1-NZ 3.39Å
697G87.5Confident90.7Very high27 Ų2732.9 Ų32.928%0.27820%0.197SC..SBendtrans7513.4-178.100000113.2D694D694-G697 PolarHBondContact O-N 3.23Å; D694-G697 VanDerWaalsContact O-N 3.08Å; D694-G697 PolarHBondContact OD1-N 3.01Å
698R89.5Confident90.7Very high70 Ų7032 Ų3226%0.26419%0.187SC..  trans-96116.8-178.9-64.6175.3174.7171.8-0.7109.8A693 D694 N696 H702 D727A693-R698 WeakPolarHBondContact CA-O 3.47Å; D694-R698 PolarHBondContact N-O 2.85Å; D694-R698 WeakPolarHBondContact OD1-CB 3.38Å; D694-R698 PolarHBondContact OD1-N 2.97Å; N696-R698 HydrophobicContact CB-CG 4.41Å; N696-R698 PolarHBondContact O-N 2.56Å; R698-H702 HydrophobicContact CB-CB 3.8Å; R698-H702 HydrophobicContact CG-CB 4.13Å; R698-D727 HydrophobicContact CG-CB 3.64Å; R698-D727 IonicContact CZ-OD2 3.86Å; R698-D727 IonicContact NE-OD2 3.05Å; R698-D727 PolarHBondContact NE-OD2 3.48Å; R698-D727 IonicContact NH2-OD2 2.72Å; R698-D727 PolarHBondContact NH2-OD2 3.45Å; R698-D727 VanDerWaalsContact NH2-OD2 3.08Å
699G91.5Very high90.6Very high6 Ų633.4 Ų33.46%0.06219%0.192CC..  trans-79.2173.7170.100000112.4L701 H702 H703G699-L701 PolarHBondContact O-N 3.39Å; G699-L701 VanDerWaalsContact O-N 3.14Å; G699-H702 PolarHBondContact N-ND1 3.49Å; G699-H702 WeakPolarHBondContact O-CB 3.47Å; G699-H702 PolarHBondContact O-N 3.03Å; G699-H703 PolarHBondContact O-CD2 3.12Å; G699-H703 PolarHBondContact O-N 3.27Å
700P93.4Very high90.5Very high0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-49.4-37.9174.3-28.232.5000114L668 I669 V672 V690 Q692 H703 A704 F716L668-P700 HydrophobicContact CD2-CB 4.32Å; L668-P700 HydrophobicContact CD2-CG 3.73Å; L668-P700 HydrophobicContact CG-CB 4.36Å; L668-P700 HydrophobicContact CG-CG 4.01Å; I669-P700 HydrophobicContact CG1-CG 4.02Å; V672-P700 HydrophobicContact CG2-CB 4.32Å; V690-P700 WeakPolarHBondContact O-CD 3.47Å; Q692-P700 WeakPolarHBondContact O-CD 3.5Å; P700-H703 PolarHBondContact O-N 2.85Å; P700-A704 WeakPolarHBondContact O-CB 3.45Å; P700-A704 PolarHBondContact O-N 2.93Å; P700-F716 HydrophobicContact CB-CD1 4.43Å; P700-F716 HydrophobicContact CB-CD2 4.02Å; P700-F716 HydrophobicContact CB-CE1 4.04Å; P700-F716 HydrophobicContact CB-CE2 3.58Å; P700-F716 HydrophobicContact CB-CG 4.44Å; P700-F716 HydrophobicContact CB-CZ 3.61Å; P700-F716 WeakPolarHBondContact O-CE2 3.31Å
701L94Very high90.2Very high4 Ų429.7 Ų29.72%0.02117%0.174CC..Hα-helixtrans-65.6-37.4177-177.662.3000112.9G699 T705 V713 F716 L717 A721 P733 L749G699-L701 PolarHBondContact O-N 3.39Å; G699-L701 VanDerWaalsContact O-N 3.14Å; L701-T705 VanDerWaalsContact O-CB 3.3Å; L701-T705 WeakPolarHBondContact O-CB 3.42Å; L701-T705 PolarHBondContact O-N 3.47Å; L701-T705 VanDerWaalsContact O-N 3.07Å; L701-T705 PolarHBondContact O-OG1 3.5Å; L701-V713 HydrophobicContact CD1-CB 4.39Å; L701-V713 HydrophobicContact CD1-CG1 4.05Å; L701-V713 HydrophobicContact CD1-CG2 4.28Å; L701-F716 HydrophobicContact CD1-CB 4.31Å; L701-L717 HydrophobicContact CD1-CD2 4.33Å; L701-L717 HydrophobicContact CD1-CG 4.2Å; L701-L717 HydrophobicContact CD2-CD2 3.9Å; L701-A721 HydrophobicContact CB-CB 4.19Å; L701-A721 HydrophobicContact CD2-CB 3.92Å; L701-P733 HydrophobicContact CD2-CB 4.27Å; L701-P733 HydrophobicContact CD2-CG 3.89Å; L701-P733 HydrophobicContact CG-CB 4.2Å; L701-P733 HydrophobicContact CG-CG 4Å; L701-L749 HydrophobicContact CD1-CD2 4.44Å; L701-L749 HydrophobicContact CD2-CD2 4.24Å
702H92.3Very high90.1Very high5 Ų526.3 Ų26.32%0.02316%0.155CC..Hα-helixtrans-65-49.3173.8-66.283.4000110.5R698 G699 A704 T705 I706 A725 R726 D727 K731 P733R698-H702 HydrophobicContact CB-CB 3.8Å; R698-H702 HydrophobicContact CG-CB 4.13Å; G699-H702 PolarHBondContact N-ND1 3.49Å; G699-H702 WeakPolarHBondContact O-CB 3.47Å; G699-H702 PolarHBondContact O-N 3.03Å; H702-A704 PolarHBondContact O-N 3.48Å; H702-T705 PolarHBondContact O-N 3.4Å; H702-T705 VanDerWaalsContact O-N 3.11Å; H702-I706 VanDerWaalsContact O-CG1 3.25Å; H702-I706 WeakPolarHBondContact O-CG1 3.33Å; H702-I706 PolarHBondContact O-N 3.36Å; H702-A725 VanDerWaalsContact CE1-CA 3.4Å; H702-A725 WeakPolarHBondContact CE1-CA 3.43Å; H702-A725 WeakPolarHBondContact CE1-CB 3.16Å; H702-A725 PolarHBondContact CE1-O 3.42Å; H702-A725 PolarHBondContact NE2-O 3.04Å; H702-R726 VanDerWaalsContact NE2-CA 3.25Å; H702-R726 WeakPolarHBondContact NE2-CA 3.48Å; H702-R726 PolarHBondContact NE2-N 3.37Å; H702-D727 PolarHBondContact NE2-N 3.46Å; H702-D727 VanDerWaalsContact NE2-N 3.2Å; H702-K731 PolarHBondContact NE2-O 3.41Å; H702-P733 WeakPolarHBondContact NE2-CD 3.4Å
703H91.6Very high90.2Very high37 Ų3724.4 Ų24.417%0.17115%0.147CC..Hα-helixtrans-59.7-46.1179.2-77.1-72.5000112.3V672 D694 G699 P700 T705 I706 L707V672-H703 HydrophobicContact CG1-CB 3.69Å; D694-H703 IonicContact OD2-CE1 2.81Å; D694-H703 PolarHBondContact OD2-CE1 2.91Å; D694-H703 VanDerWaalsContact OD2-CE1 3.31Å; D694-H703 IonicContact OD2-NE2 2.71Å; D694-H703 PolarHBondContact OD2-NE2 3.37Å; G699-H703 PolarHBondContact O-CD2 3.12Å; G699-H703 PolarHBondContact O-N 3.27Å; P700-H703 PolarHBondContact O-N 2.85Å; H703-T705 VanDerWaalsContact C-N 3.26Å; H703-T705 PolarHBondContact O-N 3.02Å; H703-I706 PolarHBondContact O-N 2.96Å; H703-L707 WeakPolarHBondContact O-CB 3.29Å; H703-L707 WeakPolarHBondContact O-CG 3.43Å; H703-L707 PolarHBondContact O-N 3.46Å
704A92.8Very high90.1Very high0 Ų022.2 Ų22.20%013%0.128CC..Hα-helixtrans-61.6-33.9175.400000112.6V672 P700 H702 G708 H709 L712 V713 F716V672-A704 HydrophobicContact CG1-CB 3.99Å; P700-A704 WeakPolarHBondContact O-CB 3.45Å; P700-A704 PolarHBondContact O-N 2.93Å; H702-A704 PolarHBondContact O-N 3.48Å; A704-G708 PolarHBondContact O-N 2.84Å; A704-G708 VanDerWaalsContact O-N 3.13Å; A704-H709 HydrophobicContact CB-CB 4.45Å; A704-H709 PolarHBondContact O-N 2.82Å; A704-L712 HydrophobicContact CB-CB 3.79Å; A704-V713 HydrophobicContact CB-CG2 3.91Å; A704-F716 HydrophobicContact CB-CD2 4.17Å; A704-F716 HydrophobicContact CB-CE2 4.03Å
705T91.9Very high90.1Very high0 Ų021.4 Ų21.40%012%0.124CC..Hα-helixtrans-76.3-38.7178-580000112.6L701 H702 H703 L707 G708 P733 I736 A737 N740 I745L701-T705 VanDerWaalsContact O-CB 3.3Å; L701-T705 WeakPolarHBondContact O-CB 3.42Å; L701-T705 PolarHBondContact O-N 3.47Å; L701-T705 VanDerWaalsContact O-N 3.07Å; L701-T705 PolarHBondContact O-OG1 3.5Å; H702-T705 PolarHBondContact O-N 3.4Å; H702-T705 VanDerWaalsContact O-N 3.11Å; H703-T705 VanDerWaalsContact C-N 3.26Å; H703-T705 PolarHBondContact O-N 3.02Å; T705-L707 VanDerWaalsContact C-N 3.34Å; T705-G708 PolarHBondContact O-N 3.34Å; T705-P733 WeakPolarHBondContact CG2-O 3.38Å; T705-I736 HydrophobicContact CG2-CB 4.04Å; T705-I736 HydrophobicContact CG2-CG2 3.9Å; T705-A737 HydrophobicContact CG2-CB 3.74Å; T705-N740 PolarHBondContact O-ND2 2.9Å; T705-I745 HydrophobicContact CG2-CG2 3.87Å
706I90.9Very high90.3Very high57 Ų5719.4 Ų19.429%0.29211%0.11SC..Hα-helixtrans-61.9-43.5174.6-69.3166.1000110.3H702 H703 G708 I736 N740H702-I706 VanDerWaalsContact O-CG1 3.25Å; H702-I706 WeakPolarHBondContact O-CG1 3.33Å; H702-I706 PolarHBondContact O-N 3.36Å; H703-I706 PolarHBondContact O-N 2.96Å; I706-G708 VanDerWaalsContact C-N 3.31Å; I706-I736 HydrophobicContact CG1-CD1 4.27Å; I706-I736 HydrophobicContact CG1-CG2 3.69Å; I706-N740 PolarHBondContact O-ND2 2.88Å; I706-N740 VanDerWaalsContact O-ND2 3.08Å
707L89.4Confident90.4Very high83 Ų8317.8 Ų17.844%0.43510%0.101SC..THydrogen-bonded Turntrans-81.8-6.2-179.8-60.8172.5000113.7V672 H703 T705 H709V672-L707 HydrophobicContact CG1-CD1 4.45Å; H703-L707 WeakPolarHBondContact O-CB 3.29Å; H703-L707 WeakPolarHBondContact O-CG 3.43Å; H703-L707 PolarHBondContact O-N 3.46Å; T705-L707 VanDerWaalsContact C-N 3.34Å; L707-H709 VanDerWaalsContact C-N 3.31Å; L707-H709 PolarHBondContact O-CD2 3.26Å; L707-H709 PolarHBondContact O-N 2.9Å
708G88.4Confident90.3Very high23 Ų2319.2 Ų19.224%0.23710%0.1CC..THydrogen-bonded Turntrans7219.7-179.700000114.7A704 T705 I706 T710A704-G708 PolarHBondContact O-N 2.84Å; A704-G708 VanDerWaalsContact O-N 3.13Å; T705-G708 PolarHBondContact O-N 3.34Å; I706-G708 VanDerWaalsContact C-N 3.31Å; G708-T710 VanDerWaalsContact C-N 3.34Å; G708-T710 PolarHBondContact O-N 2.91Å; G708-T710 PolarHBondContact O-OG1 3.01Å
709H90.3Very high90.2Very high40 Ų4019.5 Ų19.519%0.18510%0.101CC..  trans-7875.7-177.2-63.4167.3000111.8V672 N675 A704 L707 G711 L712 V713V672-H709 PolarHBondContact O-CE1 3.07Å; V672-H709 PolarHBondContact O-ND1 3.38Å; N675-H709 VanDerWaalsContact CB-CE1 3.49Å; N675-H709 WeakPolarHBondContact CB-CE1 3.32Å; N675-H709 VanDerWaalsContact OD1-CG 3.3Å; N675-H709 PolarHBondContact OD1-ND1 3.27Å; A704-H709 HydrophobicContact CB-CB 4.45Å; A704-H709 PolarHBondContact O-N 2.82Å; L707-H709 VanDerWaalsContact C-N 3.31Å; L707-H709 PolarHBondContact O-CD2 3.26Å; L707-H709 PolarHBondContact O-N 2.9Å; H709-G711 PolarHBondContact O-N 2.89Å; H709-G711 VanDerWaalsContact O-N 3.13Å; H709-L712 HydrophobicContact CB-CB 4.05Å; H709-L712 HydrophobicContact CB-CD1 3.9Å; H709-L712 HydrophobicContact CB-CG 4.35Å; H709-L712 PolarHBondContact O-N 2.82Å; H709-V713 PolarHBondContact O-N 2.73Å
710T89.3Confident89.9Confident3 Ų321.7 Ų21.72%0.01812%0.124CC..Hα-helixtrans-52.1-36.5-175.9-49.80000114G708 V713 C714 D744 I745 L748 F780 L791G708-T710 VanDerWaalsContact C-N 3.34Å; G708-T710 PolarHBondContact O-N 2.91Å; G708-T710 PolarHBondContact O-OG1 3.01Å; T710-V713 PolarHBondContact O-N 3.4Å; T710-C714 PolarHBondContact O-N 3.22Å; T710-D744 HydrophobicContact CG2-CB 4.17Å; T710-I745 HydrophobicContact CG2-CG1 4.25Å; T710-L748 HydrophobicContact CG2-CD1 3.72Å; T710-F780 HydrophobicContact CG2-CD1 4.08Å; T710-F780 HydrophobicContact CG2-CE1 4.14Å; T710-L791 HydrophobicContact CG2-CD2 4.33Å
711G86.4Confident89.7Confident9 Ų922 Ų229%0.09313%0.126CC..Hα-helixtrans-65.7-42.3175.800000113.5H709 C714 L715H709-G711 PolarHBondContact O-N 2.89Å; H709-G711 VanDerWaalsContact O-N 3.13Å; G711-C714 WeakPolarHBondContact O-CB 3.38Å; G711-C714 PolarHBondContact O-N 3.21Å; G711-L715 PolarHBondContact O-N 2.88Å
712L89.9Confident89.4Confident0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-68.4-37.8175.8-77170.8000112V672 N675 L677 C680 A704 H709 C714 L715 F716V672-L712 HydrophobicContact CB-CD1 4.32Å; V672-L712 HydrophobicContact CG1-CD1 4.18Å; V672-L712 HydrophobicContact CG2-CD1 4.23Å; N675-L712 WeakPolarHBondContact OD1-CD1 3.46Å; L677-L712 HydrophobicContact CD1-CD2 3.86Å; L677-L712 HydrophobicContact CD1-CG 4.25Å; C680-L712 HydrophobicContact CB-CD2 3.84Å; C680-L712 WeakPolarHBondContact SG-CD2 3.35Å; A704-L712 HydrophobicContact CB-CB 3.79Å; H709-L712 HydrophobicContact CB-CB 4.05Å; H709-L712 HydrophobicContact CB-CD1 3.9Å; H709-L712 HydrophobicContact CB-CG 4.35Å; H709-L712 PolarHBondContact O-N 2.82Å; L712-C714 VanDerWaalsContact C-N 3.33Å; L712-C714 PolarHBondContact O-N 3.17Å; L712-L715 HydrophobicContact CD2-CD2 4.46Å; L712-L715 PolarHBondContact O-N 3.45Å; L712-F716 HydrophobicContact CB-CE2 4.11Å; L712-F716 HydrophobicContact CD2-CE2 4.38Å; L712-F716 HydrophobicContact CD2-CZ 4.16Å; L712-F716 WeakPolarHBondContact O-CD2 3.48Å; L712-F716 VanDerWaalsContact O-CG 3.31Å; L712-F716 WeakPolarHBondContact O-CG 3.48Å; L712-F716 PolarHBondContact O-N 2.96Å
713V91.5Very high89.2Confident0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-58.1-46.6170.9170.40000110.9L701 A704 H709 T710 L715 F716 L717 I745 L748L701-V713 HydrophobicContact CD1-CB 4.39Å; L701-V713 HydrophobicContact CD1-CG1 4.05Å; L701-V713 HydrophobicContact CD1-CG2 4.28Å; A704-V713 HydrophobicContact CB-CG2 3.91Å; H709-V713 PolarHBondContact O-N 2.73Å; T710-V713 PolarHBondContact O-N 3.4Å; V713-L715 PolarHBondContact O-N 3.37Å; V713-F716 PolarHBondContact O-N 3.16Å; V713-L717 HydrophobicContact CG1-CD1 3.72Å; V713-L717 HydrophobicContact CG1-CG 4.42Å; V713-L717 WeakPolarHBondContact O-CB 3.19Å; V713-L717 VanDerWaalsContact O-CG 3.3Å; V713-L717 WeakPolarHBondContact O-CG 2.88Å; V713-L717 PolarHBondContact O-N 3.07Å; V713-I745 HydrophobicContact CG1-CG2 4.14Å; V713-I745 HydrophobicContact CG2-CD1 3.97Å; V713-I745 HydrophobicContact CG2-CG1 4.16Å; V713-I745 HydrophobicContact CG2-CG2 4.18Å; V713-L748 HydrophobicContact CG1-CB 4.35Å; V713-L748 HydrophobicContact CG1-CD1 4.18Å
714C89.3Confident88.9Confident0 Ų027.1 Ų27.10%015%0.154CC..Hα-helixtrans-56.8-49.9176.2-173.30000111.4T710 G711 L712 F716 L717 K718 L748 F777 F780T710-C714 PolarHBondContact O-N 3.22Å; G711-C714 WeakPolarHBondContact O-CB 3.38Å; G711-C714 PolarHBondContact O-N 3.21Å; L712-C714 VanDerWaalsContact C-N 3.33Å; L712-C714 PolarHBondContact O-N 3.17Å; C714-F716 PolarHBondContact O-N 3.32Å; C714-L717 PolarHBondContact O-N 3.49Å; C714-K718 WeakPolarHBondContact O-CG 3.44Å; C714-K718 PolarHBondContact O-N 3.04Å; C714-L748 HydrophobicContact CB-CD1 4.25Å; C714-F777 WeakPolarHBondContact SG-CD1 3.47Å; C714-F777 PolarHBondContact SG-O 3.42Å; C714-F777 VanDerWaalsContact SG-O 3.41Å; C714-F780 HydrophobicContact CB-CB 4.42Å
715L88Confident88.7Confident0 Ų028.4 Ų28.40%017%0.165CC..Hα-helixtrans-58.4-48.8178.3175.960.6000112.5L677 C680 E681 L684 G711 L712 V713 L717 K718 R719L677-L715 HydrophobicContact CD1-CB 4.12Å; L677-L715 HydrophobicContact CD1-CD2 3.82Å; C680-L715 HydrophobicContact CB-CD2 3.98Å; E681-L715 HydrophobicContact CB-CD2 4.31Å; L684-L715 HydrophobicContact CD1-CD1 4.49Å; L684-L715 HydrophobicContact CD1-CD2 4.13Å; L684-L715 HydrophobicContact CD1-CG 4.14Å; G711-L715 PolarHBondContact O-N 2.88Å; L712-L715 HydrophobicContact CD2-CD2 4.46Å; L712-L715 PolarHBondContact O-N 3.45Å; V713-L715 PolarHBondContact O-N 3.37Å; L715-L717 PolarHBondContact O-N 2.88Å; L715-K718 WeakPolarHBondContact O-CB 3.35Å; L715-K718 PolarHBondContact O-N 3.48Å; L715-R719 HydrophobicContact CD1-CG 4.19Å; L715-R719 WeakPolarHBondContact O-CB 3.26Å; L715-R719 VanDerWaalsContact O-CG 3.27Å; L715-R719 WeakPolarHBondContact O-CG 3.47Å; L715-R719 PolarHBondContact O-N 3.1Å
716F91.8Very high88.6Confident0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-66.6-39-177.7-65.8-36.5000112.7L668 V672 C680 L684 V690 P700 L701 A704 L712 V713 C714 R719 G720 A721L668-F716 HydrophobicContact CD1-CE1 4.04Å; L668-F716 HydrophobicContact CD1-CZ 4.33Å; L668-F716 HydrophobicContact CD2-CE1 4.36Å; L668-F716 HydrophobicContact CG-CE1 4.36Å; V672-F716 HydrophobicContact CG2-CE2 3.41Å; V672-F716 VanDerWaalsContact CG2-CE2 3.41Å; V672-F716 HydrophobicContact CG2-CZ 3.29Å; C680-F716 HydrophobicContact CB-CE1 4.33Å; C680-F716 HydrophobicContact CB-CZ 4.35Å; L684-F716 HydrophobicContact CD1-CD1 4.03Å; L684-F716 HydrophobicContact CD1-CE1 3.91Å; V690-F716 HydrophobicContact CG2-CB 4.03Å; V690-F716 HydrophobicContact CG2-CD1 3.65Å; V690-F716 HydrophobicContact CG2-CG 4.13Å; P700-F716 HydrophobicContact CB-CD1 4.43Å; P700-F716 HydrophobicContact CB-CD2 4.02Å; P700-F716 HydrophobicContact CB-CE1 4.04Å; P700-F716 HydrophobicContact CB-CE2 3.58Å; P700-F716 HydrophobicContact CB-CG 4.44Å; P700-F716 HydrophobicContact CB-CZ 3.61Å; P700-F716 WeakPolarHBondContact O-CE2 3.31Å; L701-F716 HydrophobicContact CD1-CB 4.31Å; A704-F716 HydrophobicContact CB-CD2 4.17Å; A704-F716 HydrophobicContact CB-CE2 4.03Å; L712-F716 HydrophobicContact CB-CE2 4.11Å; L712-F716 HydrophobicContact CD2-CE2 4.38Å; L712-F716 HydrophobicContact CD2-CZ 4.16Å; L712-F716 WeakPolarHBondContact O-CD2 3.48Å; L712-F716 VanDerWaalsContact O-CG 3.31Å; L712-F716 WeakPolarHBondContact O-CG 3.48Å; L712-F716 PolarHBondContact O-N 2.96Å; V713-F716 PolarHBondContact O-N 3.16Å; C714-F716 PolarHBondContact O-N 3.32Å; F716-R719 CarbonylContact O-C 3.42Å; F716-R719 PolarHBondContact O-N 3.37Å; F716-R719 VanDerWaalsContact O-N 3.11Å; F716-G720 PolarHBondContact O-N 3.15Å; F716-A721 HydrophobicContact CB-CB 3.85Å; F716-A721 WeakPolarHBondContact O-CB 3.45Å; F716-A721 PolarHBondContact O-N 3.14Å
717L89.3Confident88.6Confident9 Ų933.2 Ų33.25%0.04718%0.179CC..Hα-helixtrans-67.6-38175.1-67.8172.2000112.3L701 V713 C714 L715 R719 G720 L748 L749 A752 F777L701-L717 HydrophobicContact CD1-CD2 4.33Å; L701-L717 HydrophobicContact CD1-CG 4.2Å; L701-L717 HydrophobicContact CD2-CD2 3.9Å; V713-L717 HydrophobicContact CG1-CD1 3.72Å; V713-L717 HydrophobicContact CG1-CG 4.42Å; V713-L717 WeakPolarHBondContact O-CB 3.19Å; V713-L717 VanDerWaalsContact O-CG 3.3Å; V713-L717 WeakPolarHBondContact O-CG 2.88Å; V713-L717 PolarHBondContact O-N 3.07Å; C714-L717 PolarHBondContact O-N 3.49Å; L715-L717 PolarHBondContact O-N 2.88Å; L717-R719 PolarHBondContact O-N 3.37Å; L717-G720 PolarHBondContact O-N 2.77Å; L717-L748 HydrophobicContact CD1-CB 4.15Å; L717-L749 HydrophobicContact CD1-CD2 3.96Å; L717-L749 HydrophobicContact CD1-CG 4.42Å; L717-L749 HydrophobicContact CD2-CD2 4.04Å; L717-A752 HydrophobicContact CB-CB 4.39Å; L717-A752 HydrophobicContact CD1-CB 4.04Å; L717-A752 HydrophobicContact CD2-CB 3.91Å; L717-A752 HydrophobicContact CG-CB 4.33Å; L717-F777 HydrophobicContact CB-CE1 3.66Å; L717-F777 HydrophobicContact CB-CZ 4.06Å; L717-F777 HydrophobicContact CD1-CE1 4.13Å; L717-F777 HydrophobicContact CD1-CZ 4Å
718K84.9Confident88.7Confident58 Ų5835.7 Ų35.725%0.25219%0.187SC..Hα-helixtrans-56.9-35.6168.3-77.8-179.7173.4-177.40112.4E462 C714 L715 G720 F777 S781E462-K718 IonicContact OE1-NZ 2.99Å; E462-K718 PolarHBondContact OE1-NZ 3.02Å; C714-K718 WeakPolarHBondContact O-CG 3.44Å; C714-K718 PolarHBondContact O-N 3.04Å; L715-K718 WeakPolarHBondContact O-CB 3.35Å; L715-K718 PolarHBondContact O-N 3.48Å; K718-G720 VanDerWaalsContact C-N 3.32Å; K718-F777 WeakPolarHBondContact CE-O 3.42Å; K718-F777 HydrophobicContact CG-CB 4.38Å; K718-F777 HydrophobicContact CG-CD1 3.88Å; K718-F777 PolarHBondContact NZ-O 3.09Å; K718-F777 VanDerWaalsContact NZ-O 3.15Å; K718-S781 VanDerWaalsContact NZ-CB 3.31Å; K718-S781 PolarHBondContact NZ-OG 3.2Å
719R86.2Confident88.6Confident76 Ų7639.5 Ų39.529%0.28720%0.202SC..THydrogen-bonded Turntrans-89.28.6-177-64.3-75.7163.6112.42.9114.1E681 L684 V690 L715 F716 L717E681-R719 IonicContact OE1-CZ 3.95Å; E681-R719 IonicContact OE1-NH1 3.08Å; E681-R719 PolarHBondContact OE1-NH1 2.83Å; E681-R719 VanDerWaalsContact OE1-NH1 3.15Å; E681-R719 IonicContact OE1-NH2 3.5Å; E681-R719 PolarHBondContact OE1-NH2 2.99Å; E681-R719 IonicContact OE2-CZ 3.91Å; E681-R719 IonicContact OE2-NE 2.9Å; E681-R719 IonicContact OE2-NH1 3.88Å; E681-R719 PolarHBondContact OE2-NH1 3.02Å; E681-R719 IonicContact OE2-NH2 3.83Å; E681-R719 PolarHBondContact OE2-NH2 3.41Å; L684-R719 HydrophobicContact CD1-CG 4.18Å; V690-R719 HydrophobicContact CG2-CB 4.35Å; L715-R719 HydrophobicContact CD1-CG 4.19Å; L715-R719 WeakPolarHBondContact O-CB 3.26Å; L715-R719 VanDerWaalsContact O-CG 3.27Å; L715-R719 WeakPolarHBondContact O-CG 3.47Å; L715-R719 PolarHBondContact O-N 3.1Å; F716-R719 CarbonylContact O-C 3.42Å; F716-R719 PolarHBondContact O-N 3.37Å; F716-R719 VanDerWaalsContact O-N 3.11Å; L717-R719 PolarHBondContact O-N 3.37Å
720G86Confident88.6Confident52 Ų5244.3 Ų44.354%0.53622%0.224SC..THydrogen-bonded Turntrans80.629.7174.300000114.4F716 L717 K718F716-G720 PolarHBondContact O-N 3.15Å; L717-G720 PolarHBondContact O-N 2.77Å; K718-G720 VanDerWaalsContact C-N 3.32Å
721A89.6Confident88.6Confident6 Ų648 Ų485%0.0524%0.24CC..  trans-58.5140.4169.700000111.9V690 N691 L701 F716 Y723V690-A721 HydrophobicContact CG1-CB 4.47Å; V690-A721 HydrophobicContact CG2-CB 3.91Å; N691-A721 VanDerWaalsContact OD1-CA 3.3Å; N691-A721 WeakPolarHBondContact OD1-CA 3.34Å; L701-A721 HydrophobicContact CB-CB 4.19Å; L701-A721 HydrophobicContact CD2-CB 3.92Å; F716-A721 HydrophobicContact CB-CB 3.85Å; F716-A721 WeakPolarHBondContact O-CB 3.45Å; F716-A721 PolarHBondContact O-N 3.14Å; A721-Y723 PolarHBondContact O-N 3.36Å; A721-Y723 VanDerWaalsContact O-N 3.15Å
722D88.3Confident88.8Confident61 Ų6149 Ų4933%0.32624%0.243SC..  trans-78.799.8178.7-172.610000110.9N691 N724 A725N691-D722 PolarHBondContact OD1-N 2.96Å; D722-N724 PolarHBondContact O-N 2.92Å; D722-N724 WeakPolarHBondContact OD1-CB 3.29Å; D722-N724 PolarHBondContact OD1-N 2.99Å; D722-A725 HydrophobicContact CB-CB 4.15Å; D722-A725 WeakPolarHBondContact O-CB 3.36Å; D722-A725 PolarHBondContact O-N 3.48Å
723Y86.6Confident88.9Confident18 Ų1849 Ų497%0.07124%0.243CC..THydrogen-bonded Turntrans-68.8-9176.363-102.9000113.9A721 P733 A752 K753 K756A721-Y723 PolarHBondContact O-N 3.36Å; A721-Y723 VanDerWaalsContact O-N 3.15Å; Y723-P733 WeakPolarHBondContact O-CD 3.22Å; Y723-A752 HydrophobicContact CD1-CB 4.48Å; Y723-K753 HydrophobicContact CD2-CB 4.09Å; Y723-K753 HydrophobicContact CD2-CG 4.47Å; Y723-K753 HydrophobicContact CE2-CB 3.67Å; Y723-K753 HydrophobicContact CE2-CD 4.11Å; Y723-K753 HydrophobicContact CE2-CG 3.7Å; Y723-K756 HydrophobicContact CE1-CB 3.92Å; Y723-K756 HydrophobicContact CE1-CD 3.66Å; Y723-K756 HydrophobicContact CE1-CG 4.35Å; Y723-K756 WeakPolarHBondContact OH-CB 3.35Å; Y723-K756 WeakPolarHBondContact OH-CD 3.46Å
724N86.6Confident88.9Confident74 Ų7451 Ų5140%0.39625%0.254SS..THydrogen-bonded Turntrans-98.6-4.7174.9-68.8-40.7000113.1D722 R726D722-N724 PolarHBondContact O-N 2.92Å; D722-N724 WeakPolarHBondContact OD1-CB 3.29Å; D722-N724 PolarHBondContact OD1-N 2.99Å; N724-R726 PolarHBondContact O-N 2.96Å
725A88.4Confident89Confident28 Ų2853.8 Ų53.823%0.23127%0.271CS..  trans-60.8137.8179.200000110.5H702 D722 P733H702-A725 VanDerWaalsContact CE1-CA 3.4Å; H702-A725 WeakPolarHBondContact CE1-CA 3.43Å; H702-A725 WeakPolarHBondContact CE1-CB 3.16Å; H702-A725 PolarHBondContact CE1-O 3.42Å; H702-A725 PolarHBondContact NE2-O 3.04Å; D722-A725 HydrophobicContact CB-CB 4.15Å; D722-A725 WeakPolarHBondContact O-CB 3.36Å; D722-A725 PolarHBondContact O-N 3.48Å; A725-P733 VanDerWaalsContact O-CD 3.3Å; A725-P733 WeakPolarHBondContact O-CD 3.2Å
726R89.9Confident89.1Confident149 Ų14954.3 Ų54.356%0.56227%0.273SS*.  trans-111.6136.6-176.9-68.1-175.9175.8-156.8-5111.2H702 N724 E730 K731H702-R726 VanDerWaalsContact NE2-CA 3.25Å; H702-R726 WeakPolarHBondContact NE2-CA 3.48Å; H702-R726 PolarHBondContact NE2-N 3.37Å; N724-R726 PolarHBondContact O-N 2.96Å; R726-E730 IonicContact NH1-OE2 3.6Å; R726-E730 PolarHBondContact NH1-OE2 3.03Å; R726-K731 WeakPolarHBondContact CA-O 3.27Å
727D90.3Very high89.1Confident8 Ų854.3 Ų54.34%0.04327%0.273CS..  trans-75.1176.7170.490.6-21.1000111.8R698 H702 N729 E730 K731R698-D727 HydrophobicContact CG-CB 3.64Å; R698-D727 IonicContact CZ-OD2 3.86Å; R698-D727 IonicContact NE-OD2 3.05Å; R698-D727 PolarHBondContact NE-OD2 3.48Å; R698-D727 IonicContact NH2-OD2 2.72Å; R698-D727 PolarHBondContact NH2-OD2 3.45Å; R698-D727 VanDerWaalsContact NH2-OD2 3.08Å; H702-D727 PolarHBondContact NE2-N 3.46Å; H702-D727 VanDerWaalsContact NE2-N 3.2Å; D727-N729 PolarHBondContact O-N 3.44Å; D727-N729 WeakPolarHBondContact OD1-CA 3.26Å; D727-N729 VanDerWaalsContact OD1-CB 3.27Å; D727-N729 WeakPolarHBondContact OD1-CB 3.41Å; D727-N729 PolarHBondContact OD1-N 3.13Å; D727-N729 PolarHBondContact OD1-ND2 3.34Å; D727-N729 PolarHBondContact OD2-ND2 3.25Å; D727-E730 WeakPolarHBondContact O-CA 3.15Å; D727-E730 PolarHBondContact O-N 3.4Å; D727-K731 PolarHBondContact N-O 3.04Å; D727-K731 PolarHBondContact OD1-N 2.99Å
728K90.8Very high89.2Confident135 Ų13557.8 Ų57.859%0.58730%0.295SS*.THydrogen-bonded Turntrans-53-21.1175.6-84.7179.2-173.2159.10115.1S695 N696 E730S695-K728 WeakPolarHBondContact O-CE 3.18Å; S695-K728 PolarHBondContact O-NZ 3.28Å; N696-K728 HydrophobicContact CB-CD 4.5Å; N696-K728 WeakPolarHBondContact O-CG 3.24Å; N696-K728 PolarHBondContact O-N 2.88Å; N696-K728 VanDerWaalsContact O-N 3.08Å; N696-K728 PolarHBondContact OD1-NZ 3.39Å; K728-E730 VanDerWaalsContact C-N 3.3Å
729N88.1Confident89.5Confident103 Ų10359.3 Ų59.355%0.55131%0.305SS*.THydrogen-bonded Turntrans-94.814180-47.9-75.8000112D727 K731D727-N729 PolarHBondContact O-N 3.44Å; D727-N729 WeakPolarHBondContact OD1-CA 3.26Å; D727-N729 VanDerWaalsContact OD1-CB 3.27Å; D727-N729 WeakPolarHBondContact OD1-CB 3.41Å; D727-N729 PolarHBondContact OD1-N 3.13Å; D727-N729 PolarHBondContact OD1-ND2 3.34Å; D727-N729 PolarHBondContact OD2-ND2 3.25Å; N729-K731 HydrophobicContact CB-CG 4.27Å; N729-K731 PolarHBondContact O-N 3.47Å
730E89.6Confident89.6Confident141 Ų14159.5 Ų59.566%0.65931%0.312SS*.SBendtrans59.113.8-170.9-58.5-163.5-173.800115.3R726 D727 K728R726-E730 IonicContact NH1-OE2 3.6Å; R726-E730 PolarHBondContact NH1-OE2 3.03Å; D727-E730 WeakPolarHBondContact O-CA 3.15Å; D727-E730 PolarHBondContact O-N 3.4Å; K728-E730 VanDerWaalsContact C-N 3.3Å
731K89.3Confident89.6Confident82 Ų8261 Ų6136%0.35732%0.32SS..  trans-81.6127.7179.8-63.5-165.8178.9-165.10111H702 R726 D727 N729 T735 I736 D739H702-K731 PolarHBondContact NE2-O 3.41Å; R726-K731 WeakPolarHBondContact CA-O 3.27Å; D727-K731 PolarHBondContact N-O 3.04Å; D727-K731 PolarHBondContact OD1-N 2.99Å; N729-K731 HydrophobicContact CB-CG 4.27Å; N729-K731 PolarHBondContact O-N 3.47Å; K731-T735 HydrophobicContact CD-CG2 4.45Å; K731-T735 HydrophobicContact CG-CG2 4.38Å; K731-I736 HydrophobicContact CB-CD1 4.24Å; K731-I736 HydrophobicContact CB-CG1 3.87Å; K731-I736 HydrophobicContact CD-CG1 4.23Å; K731-D739 IonicContact NZ-OD2 3.27Å; K731-D739 PolarHBondContact NZ-OD2 3.24Å
732D91.6Very high89.4Confident29 Ų2961.9 Ų61.916%0.15532%0.324CS..  trans-85.9161.8166.561.517000110.8I734 T735 I736D732-I734 PolarHBondContact O-N 3.04Å; D732-I734 WeakPolarHBondContact OD1-CG2 3.46Å; D732-T735 PolarHBondContact O-N 3.09Å; D732-T735 VanDerWaalsContact O-N 3.16Å; D732-T735 WeakPolarHBondContact OD1-CB 3.4Å; D732-T735 PolarHBondContact OD1-N 3.05Å; D732-T735 PolarHBondContact OD1-OG1 3.48Å; D732-I736 WeakPolarHBondContact O-CG1 3.32Å; D732-I736 PolarHBondContact O-N 3.45Å; D732-I736 VanDerWaalsContact O-N 3.12Å
733P91.1Very high89.4Confident0 Ų061.2 Ų61.20%033%0.327CS..Hα-helixtrans-53.2-35.1178.1-30.436000113.8L701 H702 T705 Y723 A725 I736 A737 L749L701-P733 HydrophobicContact CD2-CB 4.27Å; L701-P733 HydrophobicContact CD2-CG 3.89Å; L701-P733 HydrophobicContact CG-CB 4.2Å; L701-P733 HydrophobicContact CG-CG 4Å; H702-P733 WeakPolarHBondContact NE2-CD 3.4Å; T705-P733 WeakPolarHBondContact CG2-O 3.38Å; Y723-P733 WeakPolarHBondContact O-CD 3.22Å; A725-P733 VanDerWaalsContact O-CD 3.3Å; A725-P733 WeakPolarHBondContact O-CD 3.2Å; P733-I736 PolarHBondContact O-N 3Å; P733-A737 WeakPolarHBondContact O-CB 3.47Å; P733-A737 PolarHBondContact O-N 3.47Å; P733-L749 HydrophobicContact CB-CD1 3.9Å; P733-L749 HydrophobicContact CB-CD2 3.98Å
734I92.1Very high89.4Confident43 Ų4362.2 Ų62.222%0.22133%0.333CS..Hα-helixtrans-71.6-37.2-179.4-171.2169.5000112.3D732 A737 V738 L749 R750D732-I734 PolarHBondContact O-N 3.04Å; D732-I734 WeakPolarHBondContact OD1-CG2 3.46Å; I734-A737 PolarHBondContact O-N 3.43Å; I734-V738 WeakPolarHBondContact O-CG2 3.38Å; I734-V738 PolarHBondContact O-N 3.12Å; I734-L749 HydrophobicContact CB-CB 4.4Å; I734-L749 HydrophobicContact CB-CD1 4.19Å; I734-R750 HydrophobicContact CD1-CG 3.66Å
735T91.4Very high89.5Confident58 Ų5858.7 Ų58.736%0.35631%0.314SS..Hα-helixtrans-62.4-45.7172.1-580000110.5K731 D732 A737 V738 D739K731-T735 HydrophobicContact CD-CG2 4.45Å; K731-T735 HydrophobicContact CG-CG2 4.38Å; D732-T735 PolarHBondContact O-N 3.09Å; D732-T735 VanDerWaalsContact O-N 3.16Å; D732-T735 WeakPolarHBondContact OD1-CB 3.4Å; D732-T735 PolarHBondContact OD1-N 3.05Å; D732-T735 PolarHBondContact OD1-OG1 3.48Å; T735-A737 VanDerWaalsContact C-N 3.34Å; T735-A737 PolarHBondContact O-N 2.95Å; T735-V738 PolarHBondContact O-N 2.9Å; T735-D739 VanDerWaalsContact O-CG 3.31Å; T735-D739 PolarHBondContact O-N 3.15Å
736I90.3Very high89.6Confident11 Ų1158.1 Ų58.16%0.05631%0.308CS..Hα-helixtrans-61.2-42.6176.7-60.2172.6000111T705 I706 K731 D732 P733 V738 D739 N740T705-I736 HydrophobicContact CG2-CB 4.04Å; T705-I736 HydrophobicContact CG2-CG2 3.9Å; I706-I736 HydrophobicContact CG1-CD1 4.27Å; I706-I736 HydrophobicContact CG1-CG2 3.69Å; K731-I736 HydrophobicContact CB-CD1 4.24Å; K731-I736 HydrophobicContact CB-CG1 3.87Å; K731-I736 HydrophobicContact CD-CG1 4.23Å; D732-I736 WeakPolarHBondContact O-CG1 3.32Å; D732-I736 PolarHBondContact O-N 3.45Å; D732-I736 VanDerWaalsContact O-N 3.12Å; P733-I736 PolarHBondContact O-N 3Å; I736-V738 VanDerWaalsContact C-N 3.32Å; I736-V738 PolarHBondContact O-N 3.23Å; I736-D739 PolarHBondContact O-N 3.35Å; I736-N740 VanDerWaalsContact O-CB 3.31Å; I736-N740 WeakPolarHBondContact O-CB 3.37Å; I736-N740 PolarHBondContact O-N 3.29Å
737A91.9Very high89.6Confident0 Ų054 Ų540%030%0.3CS..Hα-helixtrans-64.9-34.7178.600000113T705 P733 I734 T735 A741 N742 I745 V746 L749T705-A737 HydrophobicContact CG2-CB 3.74Å; P733-A737 WeakPolarHBondContact O-CB 3.47Å; P733-A737 PolarHBondContact O-N 3.47Å; I734-A737 PolarHBondContact O-N 3.43Å; T735-A737 VanDerWaalsContact C-N 3.34Å; T735-A737 PolarHBondContact O-N 2.95Å; A737-A741 PolarHBondContact O-N 3.29Å; A737-N742 PolarHBondContact O-N 3Å; A737-I745 HydrophobicContact CB-CB 4.2Å; A737-I745 HydrophobicContact CB-CG2 3.58Å; A737-V746 HydrophobicContact CB-CG2 3.58Å; A737-L749 HydrophobicContact CB-CD1 4.04Å
738V91.3Very high89.5Confident81 Ų8153.7 Ų53.749%0.49130%0.297SS..Hα-helixtrans-70.6-45.9173.7169.90000111.1I734 T735 I736 N740 A741 V746I734-V738 WeakPolarHBondContact O-CG2 3.38Å; I734-V738 PolarHBondContact O-N 3.12Å; T735-V738 PolarHBondContact O-N 2.9Å; I736-V738 VanDerWaalsContact C-N 3.32Å; I736-V738 PolarHBondContact O-N 3.23Å; V738-N740 VanDerWaalsContact C-N 3.28Å; V738-N740 PolarHBondContact O-N 3.01Å; V738-A741 WeakPolarHBondContact O-CA 3.26Å; V738-A741 PolarHBondContact O-N 2.92Å; V738-V746 HydrophobicContact CG2-CG1 4.45Å; V738-V746 HydrophobicContact CG2-CG2 3.75Å
739D90.2Very high89.5Confident90 Ų9047.4 Ų47.448%0.48127%0.27SS..Hα-helixtrans-59.3-39.9176.3-71.5-16.1000111.6K731 T735 I736 A741K731-D739 IonicContact NZ-OD2 3.27Å; K731-D739 PolarHBondContact NZ-OD2 3.24Å; T735-D739 VanDerWaalsContact O-CG 3.31Å; T735-D739 PolarHBondContact O-N 3.15Å; I736-D739 PolarHBondContact O-N 3.35Å; D739-A741 PolarHBondContact O-N 3.17Å
740N87.8Confident89.5Confident81 Ų8150 Ų5043%0.43327%0.272SS..THydrogen-bonded Turntrans-79.53175.5-74-3.1000113.8T705 I706 I736 V738 N742T705-N740 PolarHBondContact O-ND2 2.9Å; I706-N740 PolarHBondContact O-ND2 2.88Å; I706-N740 VanDerWaalsContact O-ND2 3.08Å; I736-N740 VanDerWaalsContact O-CB 3.31Å; I736-N740 WeakPolarHBondContact O-CB 3.37Å; I736-N740 PolarHBondContact O-N 3.29Å; V738-N740 VanDerWaalsContact C-N 3.28Å; V738-N740 PolarHBondContact O-N 3.01Å; N740-N742 PolarHBondContact O-N 3.28Å; N740-N742 VanDerWaalsContact O-N 3.07Å
741A87.6Confident89.3Confident83 Ų8344.7 Ų44.769%0.68625%0.248SC*.THydrogen-bonded Turntrans52.824.6-177.200000115.6A737 V738 D739 A743A737-A741 PolarHBondContact O-N 3.29Å; V738-A741 WeakPolarHBondContact O-CA 3.26Å; V738-A741 PolarHBondContact O-N 2.92Å; D739-A741 PolarHBondContact O-N 3.17Å; A741-A743 PolarHBondContact O-N 2.93Å; A741-A743 VanDerWaalsContact O-N 3.17Å
742N85.6Confident89.1Confident25 Ų2541 Ų4113%0.13423%0.233CC..  trans-88.686.2-177-167.9-34.9000111.3A737 N740 D744 I745 V746A737-N742 PolarHBondContact O-N 3Å; N740-N742 PolarHBondContact O-N 3.28Å; N740-N742 VanDerWaalsContact O-N 3.07Å; N742-D744 PolarHBondContact O-N 3.11Å; N742-D744 PolarHBondContact OD1-N 2.89Å; N742-I745 HydrophobicContact CB-CB 4.29Å; N742-I745 HydrophobicContact CB-CD1 4.32Å; N742-I745 HydrophobicContact CB-CG1 4.48Å; N742-I745 VanDerWaalsContact ND2-CD1 3.28Å; N742-I745 WeakPolarHBondContact ND2-CD1 3.1Å; N742-I745 PolarHBondContact O-N 3.29Å; N742-I745 PolarHBondContact OD1-N 3.17Å; N742-I745 VanDerWaalsContact OD1-N 3.17Å; N742-V746 WeakPolarHBondContact O-CG2 3.5Å; N742-V746 PolarHBondContact O-N 2.87Å
743A86.8Confident88.7Confident47 Ų4743.7 Ų43.739%0.38824%0.244SC..Hα-helixtrans-57.4-30.5-177.200000114.3A741 T747A741-A743 PolarHBondContact O-N 2.93Å; A741-A743 VanDerWaalsContact O-N 3.17Å; A743-T747 WeakPolarHBondContact O-CB 3.36Å; A743-T747 PolarHBondContact O-N 3.07Å; A743-T747 PolarHBondContact O-OG1 3.45Å
744D86.9Confident88.2Confident38 Ų3848.9 Ų48.920%0.20327%0.269CS..Hα-helixtrans-74.1-42.7-177.2-52.4-48.4000110.2T710 N742 T747 L748 F780 R793T710-D744 HydrophobicContact CG2-CB 4.17Å; N742-D744 PolarHBondContact O-N 3.11Å; N742-D744 PolarHBondContact OD1-N 2.89Å; D744-T747 WeakPolarHBondContact O-CB 3.49Å; D744-T747 PolarHBondContact O-N 2.86Å; D744-L748 PolarHBondContact O-N 3.28Å; D744-F780 HydrophobicContact CB-CE1 4.33Å; D744-R793 IonicContact OD1-NH2 2.81Å; D744-R793 PolarHBondContact OD1-NH2 2.98Å; D744-R793 IonicContact OD2-CZ 3.01Å; D744-R793 IonicContact OD2-NE 2.65Å; D744-R793 PolarHBondContact OD2-NE 3.48Å; D744-R793 IonicContact OD2-NH2 2.94Å; D744-R793 PolarHBondContact OD2-NH2 3.48Å
745I89.9Confident87.6Confident0 Ų047.1 Ų47.10%026%0.26CS..Hα-helixtrans-65.6-42.1171.8-66.7177.9000111.6T705 T710 V713 A737 N742 T747 L748 L749T705-I745 HydrophobicContact CG2-CG2 3.87Å; T710-I745 HydrophobicContact CG2-CG1 4.25Å; V713-I745 HydrophobicContact CG1-CG2 4.14Å; V713-I745 HydrophobicContact CG2-CD1 3.97Å; V713-I745 HydrophobicContact CG2-CG1 4.16Å; V713-I745 HydrophobicContact CG2-CG2 4.18Å; A737-I745 HydrophobicContact CB-CB 4.2Å; A737-I745 HydrophobicContact CB-CG2 3.58Å; N742-I745 HydrophobicContact CB-CB 4.29Å; N742-I745 HydrophobicContact CB-CD1 4.32Å; N742-I745 HydrophobicContact CB-CG1 4.48Å; N742-I745 VanDerWaalsContact ND2-CD1 3.28Å; N742-I745 WeakPolarHBondContact ND2-CD1 3.1Å; N742-I745 PolarHBondContact O-N 3.29Å; N742-I745 PolarHBondContact OD1-N 3.17Å; N742-I745 VanDerWaalsContact OD1-N 3.17Å; I745-T747 PolarHBondContact O-N 2.89Å; I745-L748 PolarHBondContact O-N 3.36Å; I745-L749 HydrophobicContact CG2-CD1 3.68Å; I745-L749 HydrophobicContact CG2-CG 4.28Å; I745-L749 WeakPolarHBondContact O-CB 3.48Å; I745-L749 WeakPolarHBondContact O-CG 3.22Å; I745-L749 PolarHBondContact O-N 2.93Å
746V90.3Very high86.8Confident17 Ų1747.9 Ų47.910%0.10326%0.259CS..Hα-helixtrans-57.9-38.7174172.30000111.1A737 V738 N742 R750A737-V746 HydrophobicContact CB-CG2 3.58Å; V738-V746 HydrophobicContact CG2-CG1 4.45Å; V738-V746 HydrophobicContact CG2-CG2 3.75Å; N742-V746 WeakPolarHBondContact O-CG2 3.5Å; N742-V746 PolarHBondContact O-N 2.87Å; V746-R750 HydrophobicContact CG1-CG 4.45Å; V746-R750 WeakPolarHBondContact O-CB 3.4Å; V746-R750 VanDerWaalsContact O-CG 3.24Å; V746-R750 WeakPolarHBondContact O-CG 3.47Å; V746-R750 PolarHBondContact O-N 3.34Å
747T89.3Confident86.1Confident63 Ų6352 Ų5239%0.38728%0.277SS..Hα-helixtrans-67-49.3178-59.60000111.2A743 D744 I745 L749 R750 I751A743-T747 WeakPolarHBondContact O-CB 3.36Å; A743-T747 PolarHBondContact O-N 3.07Å; A743-T747 PolarHBondContact O-OG1 3.45Å; D744-T747 WeakPolarHBondContact O-CB 3.49Å; D744-T747 PolarHBondContact O-N 2.86Å; I745-T747 PolarHBondContact O-N 2.89Å; T747-L749 PolarHBondContact O-N 3.38Å; T747-R750 PolarHBondContact O-N 3.45Å; T747-I751 HydrophobicContact CG2-CD1 3.68Å; T747-I751 HydrophobicContact CG2-CG1 4.5Å; T747-I751 WeakPolarHBondContact O-CB 3.4Å; T747-I751 VanDerWaalsContact O-CG1 3.27Å; T747-I751 WeakPolarHBondContact O-CG1 3.35Å; T747-I751 PolarHBondContact O-N 2.99Å
748L88.6Confident85.1Confident0 Ų055.2 Ų55.20%029%0.293CS..Hα-helixtrans-56.7-45.8175.8-73.5171.9000112.5T710 V713 C714 L717 D744 I745 I751 A752 F777 F780T710-L748 HydrophobicContact CG2-CD1 3.72Å; V713-L748 HydrophobicContact CG1-CB 4.35Å; V713-L748 HydrophobicContact CG1-CD1 4.18Å; C714-L748 HydrophobicContact CB-CD1 4.25Å; L717-L748 HydrophobicContact CD1-CB 4.15Å; D744-L748 PolarHBondContact O-N 3.28Å; I745-L748 PolarHBondContact O-N 3.36Å; L748-I751 PolarHBondContact O-N 2.96Å; L748-A752 WeakPolarHBondContact O-CB 3.33Å; L748-A752 PolarHBondContact O-N 2.91Å; L748-F777 HydrophobicContact CB-CZ 4.29Å; L748-F777 HydrophobicContact CD2-CD1 4.32Å; L748-F777 HydrophobicContact CD2-CD2 4.39Å; L748-F777 HydrophobicContact CD2-CE1 3.87Å; L748-F777 HydrophobicContact CD2-CE2 3.95Å; L748-F777 HydrophobicContact CD2-CZ 3.69Å; L748-F780 HydrophobicContact CD1-CD1 4.33Å; L748-F780 HydrophobicContact CD1-CG 4.39Å; L748-F780 HydrophobicContact CD2-CB 4.26Å; L748-F780 HydrophobicContact CD2-CD2 3.63Å; L748-F780 HydrophobicContact CD2-CE2 4.06Å; L748-F780 HydrophobicContact CD2-CG 3.91Å; L748-F780 HydrophobicContact CG-CD2 4.35Å; L748-F780 HydrophobicContact CG-CE2 4.43Å; L748-F780 HydrophobicContact CG-CG 4.47Å
749L89.9Confident84Confident3 Ų358.1 Ų58.12%0.01630%0.296CS..Hα-helixtrans-66.3-40.5179.9-72.2167.8000112.6L701 L717 P733 I734 A737 I745 T747 A752 K753L701-L749 HydrophobicContact CD1-CD2 4.44Å; L701-L749 HydrophobicContact CD2-CD2 4.24Å; L717-L749 HydrophobicContact CD1-CD2 3.96Å; L717-L749 HydrophobicContact CD1-CG 4.42Å; L717-L749 HydrophobicContact CD2-CD2 4.04Å; P733-L749 HydrophobicContact CB-CD1 3.9Å; P733-L749 HydrophobicContact CB-CD2 3.98Å; I734-L749 HydrophobicContact CB-CB 4.4Å; I734-L749 HydrophobicContact CB-CD1 4.19Å; A737-L749 HydrophobicContact CB-CD1 4.04Å; I745-L749 HydrophobicContact CG2-CD1 3.68Å; I745-L749 HydrophobicContact CG2-CG 4.28Å; I745-L749 WeakPolarHBondContact O-CB 3.48Å; I745-L749 WeakPolarHBondContact O-CG 3.22Å; I745-L749 PolarHBondContact O-N 2.93Å; T747-L749 PolarHBondContact O-N 3.38Å; L749-A752 PolarHBondContact O-N 3.33Å; L749-K753 WeakPolarHBondContact O-CB 3.5Å; L749-K753 PolarHBondContact O-N 2.97Å
750R87.6Confident83Confident157 Ų15760.4 Ų60.459%0.59230%0.303SS*.Hα-helixtrans-64.5-40.9174.9-75.2176.1-179.3-157.71.1112.1I734 V746 T747 K753 M754I734-R750 HydrophobicContact CD1-CG 3.66Å; V746-R750 HydrophobicContact CG1-CG 4.45Å; V746-R750 WeakPolarHBondContact O-CB 3.4Å; V746-R750 VanDerWaalsContact O-CG 3.24Å; V746-R750 WeakPolarHBondContact O-CG 3.47Å; V746-R750 PolarHBondContact O-N 3.34Å; T747-R750 PolarHBondContact O-N 3.45Å; R750-K753 PolarHBondContact O-N 2.86Å; R750-M754 WeakPolarHBondContact O-CB 3.35Å; R750-M754 PolarHBondContact O-N 3.16Å
751I86.4Confident81.7Confident31 Ų3163.5 Ų63.516%0.15932%0.317CS..Hα-helixtrans-68.1-42.1178.6-69.2169.6000110.9T747 L748 M754 N755 Y773 I776 F777T747-I751 HydrophobicContact CG2-CD1 3.68Å; T747-I751 HydrophobicContact CG2-CG1 4.5Å; T747-I751 WeakPolarHBondContact O-CB 3.4Å; T747-I751 VanDerWaalsContact O-CG1 3.27Å; T747-I751 WeakPolarHBondContact O-CG1 3.35Å; T747-I751 PolarHBondContact O-N 2.99Å; L748-I751 PolarHBondContact O-N 2.96Å; I751-M754 PolarHBondContact O-N 3.02Å; I751-N755 WeakPolarHBondContact O-CB 3.33Å; I751-N755 PolarHBondContact O-N 3.42Å; I751-Y773 HydrophobicContact CG2-CD2 3.68Å; I751-Y773 HydrophobicContact CG2-CE2 4.18Å; I751-I776 HydrophobicContact CD1-CD1 3.92Å; I751-I776 HydrophobicContact CD1-CG2 4.04Å; I751-F777 HydrophobicContact CB-CE2 4.44Å; I751-F777 HydrophobicContact CG2-CD2 4.48Å; I751-F777 HydrophobicContact CG2-CE2 3.9Å
752A83.9Confident80.1Confident5 Ų563.1 Ų63.14%0.04130%0.303CS..Hα-helixtrans-62.7-40.9173.900000112.8L717 Y723 L748 L749 K756 Y773 F777L717-A752 HydrophobicContact CB-CB 4.39Å; L717-A752 HydrophobicContact CD1-CB 4.04Å; L717-A752 HydrophobicContact CD2-CB 3.91Å; L717-A752 HydrophobicContact CG-CB 4.33Å; Y723-A752 HydrophobicContact CD1-CB 4.48Å; L748-A752 WeakPolarHBondContact O-CB 3.33Å; L748-A752 PolarHBondContact O-N 2.91Å; L749-A752 PolarHBondContact O-N 3.33Å; A752-K756 PolarHBondContact O-N 3.2Å; A752-K756 VanDerWaalsContact O-N 3.1Å; A752-Y773 HydrophobicContact CB-CE2 4.25Å; A752-F777 HydrophobicContact CB-CZ 4.3Å
753K84Confident78.3Confident85 Ų8565.1 Ų65.137%0.3733%0.33SS..Hα-helixtrans-59.8-52.8172.8177.4168.8177.8170.20112Y723 L749 R750 N755 K756 E757Y723-K753 HydrophobicContact CD2-CB 4.09Å; Y723-K753 HydrophobicContact CD2-CG 4.47Å; Y723-K753 HydrophobicContact CE2-CB 3.67Å; Y723-K753 HydrophobicContact CE2-CD 4.11Å; Y723-K753 HydrophobicContact CE2-CG 3.7Å; L749-K753 WeakPolarHBondContact O-CB 3.5Å; L749-K753 PolarHBondContact O-N 2.97Å; R750-K753 PolarHBondContact O-N 2.86Å; K753-N755 PolarHBondContact O-N 3.05Å; K753-K756 PolarHBondContact O-N 3.3Å; K753-E757 WeakPolarHBondContact CE-OE1 3.24Å; K753-E757 HydrophobicContact CG-CG 4.45Å; K753-E757 WeakPolarHBondContact CG-OE1 3.39Å; K753-E757 IonicContact NZ-OE1 2.59Å; K753-E757 WeakPolarHBondContact O-CG 3.45Å; K753-E757 PolarHBondContact O-N 2.81Å
754M81.2Confident76.4Confident109 Ų10967.6 Ų67.654%0.53735%0.35SS..Hα-helixtrans-60.1-42-179.9-171.1-176.875.600112.3R750 I751 K756 E757 M758R750-M754 WeakPolarHBondContact O-CB 3.35Å; R750-M754 PolarHBondContact O-N 3.16Å; I751-M754 PolarHBondContact O-N 3.02Å; M754-K756 PolarHBondContact O-N 3.4Å; M754-E757 PolarHBondContact O-N 3.19Å; M754-M758 HydrophobicContact CG-SD 4.44Å; M754-M758 WeakPolarHBondContact O-CG 3.17Å; M754-M758 PolarHBondContact O-N 2.97Å
755N78.8Confident74.5Confident5 Ų575.1 Ų75.13%0.02738%0.382CS..Hα-helixtrans-65.5-38.4177.6-175.711.3000112.1I751 K753 M758 R759 D770 Y773I751-N755 WeakPolarHBondContact O-CB 3.33Å; I751-N755 PolarHBondContact O-N 3.42Å; K753-N755 PolarHBondContact O-N 3.05Å; N755-M758 PolarHBondContact O-N 3.02Å; N755-R759 PolarHBondContact ND2-NH2 3.46Å; N755-R759 WeakPolarHBondContact O-CB 3Å; N755-R759 PolarHBondContact O-N 3.47Å; N755-R759 PolarHBondContact OD1-NE 3.27Å; N755-R759 VanDerWaalsContact OD1-NE 3.11Å; N755-D770 PolarHBondContact ND2-OD1 3.26Å; N755-Y773 HydrophobicContact CB-CD2 3.54Å; N755-Y773 HydrophobicContact CB-CE2 4Å; N755-Y773 HydrophobicContact CB-CG 4.04Å; N755-Y773 WeakPolarHBondContact ND2-CB 3.42Å; N755-Y773 WeakPolarHBondContact ND2-CD1 3.18Å; N755-Y773 WeakPolarHBondContact ND2-CD2 3.49Å; N755-Y773 WeakPolarHBondContact ND2-CE1 3.32Å
756K75.7Confident72.2Confident75 Ų7577.6 Ų77.633%0.32641%0.408SS..Hα-helixtrans-68.8-41.7175.1-179.8167.8167.8-171.90111.9Y723 A752 K753 M754 M758 R759 E760Y723-K756 HydrophobicContact CE1-CB 3.92Å; Y723-K756 HydrophobicContact CE1-CD 3.66Å; Y723-K756 HydrophobicContact CE1-CG 4.35Å; Y723-K756 WeakPolarHBondContact OH-CB 3.35Å; Y723-K756 WeakPolarHBondContact OH-CD 3.46Å; A752-K756 PolarHBondContact O-N 3.2Å; A752-K756 VanDerWaalsContact O-N 3.1Å; K753-K756 PolarHBondContact O-N 3.3Å; M754-K756 PolarHBondContact O-N 3.4Å; K756-M758 VanDerWaalsContact C-N 3.32Å; K756-M758 PolarHBondContact O-N 3.47Å; K756-R759 PolarHBondContact O-N 2.65Å; K756-E760 WeakPolarHBondContact CE-OE1 3.41Å; K756-E760 HydrophobicContact CG-CG 4.36Å; K756-E760 WeakPolarHBondContact CG-OE1 3.28Å; K756-E760 IonicContact NZ-OE1 3.79Å; K756-E760 WeakPolarHBondContact O-CB 3.24Å; K756-E760 WeakPolarHBondContact O-CG 3.39Å; K756-E760 PolarHBondContact O-N 3.44Å
757E75.5Confident70.1Confident97 Ų9785.6 Ų85.645%0.45344%0.444SS..Hα-helixtrans-59.9-39.9173.9-71.9172172.200112K753 M754 E760 M761K753-E757 WeakPolarHBondContact CE-OE1 3.24Å; K753-E757 HydrophobicContact CG-CG 4.45Å; K753-E757 WeakPolarHBondContact CG-OE1 3.39Å; K753-E757 IonicContact NZ-OE1 2.59Å; K753-E757 WeakPolarHBondContact O-CG 3.45Å; K753-E757 PolarHBondContact O-N 2.81Å; M754-E757 PolarHBondContact O-N 3.19Å; E757-E760 PolarHBondContact O-N 2.7Å; E757-M761 PolarHBondContact O-N 3.3Å
758M69.1Low68Low68 Ų6886.1 Ų86.134%0.33545%0.45SS..Hα-helixtrans-64.6-44.6172.4-72.317967.500112.4M754 N755 K756 E760 M761 D762M754-M758 HydrophobicContact CG-SD 4.44Å; M754-M758 WeakPolarHBondContact O-CG 3.17Å; M754-M758 PolarHBondContact O-N 2.97Å; N755-M758 PolarHBondContact O-N 3.02Å; K756-M758 VanDerWaalsContact C-N 3.32Å; K756-M758 PolarHBondContact O-N 3.47Å; M758-E760 VanDerWaalsContact C-N 3.31Å; M758-E760 PolarHBondContact O-N 2.84Å; M758-M761 PolarHBondContact O-N 3.46Å; M758-D762 PolarHBondContact O-N 3.07Å
759R70.1Confident66Low142 Ų14287.3 Ų87.354%0.53646%0.462SS..Hα-helixtrans-67.9-26178-80-172.3-88.7167-8.6114.2N755 K756N755-R759 PolarHBondContact ND2-NH2 3.46Å; N755-R759 WeakPolarHBondContact O-CB 3Å; N755-R759 PolarHBondContact O-N 3.47Å; N755-R759 PolarHBondContact OD1-NE 3.27Å; N755-R759 VanDerWaalsContact OD1-NE 3.11Å; K756-R759 PolarHBondContact O-N 2.65Å
760E67.9Low64.4Low137 Ų13789.2 Ų89.264%0.6447%0.472SS*.Hα-helixtrans-81-20.3174.3-72.6175.517800112.4K756 E757 M758K756-E760 WeakPolarHBondContact CE-OE1 3.41Å; K756-E760 HydrophobicContact CG-CG 4.36Å; K756-E760 WeakPolarHBondContact CG-OE1 3.28Å; K756-E760 IonicContact NZ-OE1 3.79Å; K756-E760 WeakPolarHBondContact O-CB 3.24Å; K756-E760 WeakPolarHBondContact O-CG 3.39Å; K756-E760 PolarHBondContact O-N 3.44Å; E757-E760 PolarHBondContact O-N 2.7Å; M758-E760 VanDerWaalsContact C-N 3.31Å; M758-E760 PolarHBondContact O-N 2.84Å
761M60Low63.2Low147 Ų14788.6 Ų88.672%0.72448%0.476SS*.Hα-helixtrans-84.9-38.1174.5-171.8174.263.200112.7E757 M758 G763E757-M761 PolarHBondContact O-N 3.3Å; M758-M761 PolarHBondContact O-N 3.46Å; M761-G763 PolarHBondContact O-N 3.49Å; M761-G763 VanDerWaalsContact O-N 3.1Å
762D55.2Low62.3Low74 Ų7491.9 Ų91.940%0.39650%0.498SS..SBendtrans-8380179.3-78.1-18.6000112.4M758 A764M758-D762 PolarHBondContact O-N 3.07Å; D762-A764 PolarHBondContact O-N 3.41Å
763G46.3Very low61.7Low68 Ų6892.8 Ų92.870%0.70150%0.5SS*.  trans-61.1114176.400000114.2M761 F765M761-G763 PolarHBondContact O-N 3.49Å; M761-G763 VanDerWaalsContact O-N 3.1Å; G763-F765 VanDerWaalsContact C-N 3.27Å; G763-F765 PolarHBondContact O-N 3.38Å
764A48.1Very low61.2Low98 Ų9893.4 Ų93.481%0.8151%0.505SS*.SBendtrans63.8-9.7163.100000119.7D762D762-A764 PolarHBondContact O-N 3.41Å
765F45.8Very low60.9Low196 Ų19691.3 Ų91.386%0.8650%0.496SS*.SBendtrans-143.795.9176.2-74.7-85.7000113.5G763G763-F765 VanDerWaalsContact C-N 3.27Å; G763-F765 PolarHBondContact O-N 3.38Å
766G42Very low60.8Low53 Ų5393.4 Ų93.455%0.54651%0.506SS..  trans152.5113.1162.800000116.4
767Q46.4Very low60.8Low185 Ų18590 Ų9086%0.86449%0.491SS*.  trans-9322.7177.5-68.3176.1-36.400114
768S45.2Very low60.9Low74 Ų7491.5 Ų91.552%0.51749%0.493SS..THydrogen-bonded Turntrans-91.4-7.7-166.255.80000116.8D770S768-D770 VanDerWaalsContact C-N 3.3Å
769G46.3Very low61.4Low25 Ų2592.6 Ų92.626%0.25850%0.5SS..THydrogen-bonded Turntrans-82.1-8.4172.400000114
770D58Low61.7Low42 Ų4287.2 Ų87.223%0.22548%0.481CS..Hα-helixtrans-91-25-162-141.515.3000113.6N755 S768 Y773 Q774N755-D770 PolarHBondContact ND2-OD1 3.26Å; S768-D770 VanDerWaalsContact C-N 3.3Å; D770-Y773 WeakPolarHBondContact O-CB 3.37Å; D770-Y773 PolarHBondContact O-N 2.91Å; D770-Q774 WeakPolarHBondContact O-CB 3.46Å; D770-Q774 WeakPolarHBondContact O-CG 3.39Å; D770-Q774 PolarHBondContact O-N 3.24Å; D770-Q774 PolarHBondContact OD2-NE2 3.33Å
771E60.8Low62Low144 Ų14481 Ų8167%0.67345%0.452SS*.Hα-helixtrans-58.9-55.7-177.1-70.5-174.6166.500112.6Y773 Q774 D775E771-Y773 VanDerWaalsContact C-N 3.25Å; E771-Y773 PolarHBondContact O-N 3.39Å; E771-Q774 PolarHBondContact O-N 2.76Å; E771-D775 WeakPolarHBondContact O-CB 3.42Å; E771-D775 VanDerWaalsContact O-CG 3.23Å; E771-D775 PolarHBondContact O-N 3.37Å
772T67.5Low62.6Low101 Ų10178.4 Ų78.462%0.6244%0.438SS*.Hα-helixtrans-63.3-32180-490000112.6I776T772-I776 HydrophobicContact CG2-CD1 4.09Å; T772-I776 VanDerWaalsContact O-CG1 3.31Å; T772-I776 WeakPolarHBondContact O-CG1 3.34Å; T772-I776 PolarHBondContact O-N 2.87Å
773Y72.8Confident63.6Low23 Ų2377.6 Ų77.69%0.0943%0.433CS..Hα-helixtrans-66.5-51.7173.9175.2-95.5000110.8I751 A752 N755 D770 E771 D775 I776 F777I751-Y773 HydrophobicContact CG2-CD2 3.68Å; I751-Y773 HydrophobicContact CG2-CE2 4.18Å; A752-Y773 HydrophobicContact CB-CE2 4.25Å; N755-Y773 HydrophobicContact CB-CD2 3.54Å; N755-Y773 HydrophobicContact CB-CE2 4Å; N755-Y773 HydrophobicContact CB-CG 4.04Å; N755-Y773 WeakPolarHBondContact ND2-CB 3.42Å; N755-Y773 WeakPolarHBondContact ND2-CD1 3.18Å; N755-Y773 WeakPolarHBondContact ND2-CD2 3.49Å; N755-Y773 WeakPolarHBondContact ND2-CE1 3.32Å; D770-Y773 WeakPolarHBondContact O-CB 3.37Å; D770-Y773 PolarHBondContact O-N 2.91Å; E771-Y773 VanDerWaalsContact C-N 3.25Å; E771-Y773 PolarHBondContact O-N 3.39Å; Y773-D775 VanDerWaalsContact C-N 3.31Å; Y773-D775 PolarHBondContact O-N 3.36Å; Y773-I776 PolarHBondContact O-N 3.45Å; Y773-F777 HydrophobicContact CD1-CD2 4.42Å; Y773-F777 AromaticContact CD2-CD2 3.85Å; Y773-F777 HydrophobicContact CD2-CD2 3.85Å; Y773-F777 AromaticContact CD2-CE2 3.8Å; Y773-F777 HydrophobicContact CD2-CE2 3.8Å; Y773-F777 HydrophobicContact CE1-CD2 4.19Å; Y773-F777 HydrophobicContact CE1-CG 4.39Å; Y773-F777 AromaticContact CE2-CD2 3.54Å; Y773-F777 HydrophobicContact CE2-CD2 3.54Å; Y773-F777 AromaticContact CE2-CE2 3.21Å; Y773-F777 HydrophobicContact CE2-CE2 3.21Å; Y773-F777 HydrophobicContact CE2-CG 4.39Å; Y773-F777 AromaticContact CE2-CZ 3.84Å; Y773-F777 HydrophobicContact CE2-CZ 3.84Å; Y773-F777 HydrophobicContact CG-CD2 4.25Å; Y773-F777 AromaticContact CZ-CD2 3.74Å; Y773-F777 AromaticContact CZ-CE2 3.67Å; Y773-F777 WeakPolarHBondContact O-CB 3.15Å; Y773-F777 WeakPolarHBondContact O-CD2 3.42Å; Y773-F777 PolarHBondContact O-N 3.01Å
774Q72.4Confident64.6Low98 Ų9874.9 Ų74.946%0.45840%0.404SS..Hα-helixtrans-61.4-39.2178.9-71.21761600111.6D770 E771 R778D770-Q774 WeakPolarHBondContact O-CB 3.46Å; D770-Q774 WeakPolarHBondContact O-CG 3.39Å; D770-Q774 PolarHBondContact O-N 3.24Å; D770-Q774 PolarHBondContact OD2-NE2 3.33Å; E771-Q774 PolarHBondContact O-N 2.76Å; Q774-R778 WeakPolarHBondContact O-CB 3.4Å; Q774-R778 PolarHBondContact O-N 3.09Å
775D75.8Confident65.4Low65 Ų6571.9 Ų71.935%0.34838%0.377SS..Hα-helixtrans-60.6-53.5176.7-74.1-13.4000111.7E771 Y773 F777 R778 D779E771-D775 WeakPolarHBondContact O-CB 3.42Å; E771-D775 VanDerWaalsContact O-CG 3.23Å; E771-D775 PolarHBondContact O-N 3.37Å; Y773-D775 VanDerWaalsContact C-N 3.31Å; Y773-D775 PolarHBondContact O-N 3.36Å; D775-F777 VanDerWaalsContact C-N 3.34Å; D775-F777 PolarHBondContact O-N 3.5Å; D775-R778 WeakPolarHBondContact O-CB 3.16Å; D775-R778 PolarHBondContact O-N 2.64Å; D775-R778 VanDerWaalsContact O-N 3.16Å; D775-R778 IonicContact OD1-CZ 3.93Å; D775-R778 IonicContact OD1-NH1 2.74Å; D775-R778 PolarHBondContact OD1-NH1 2.7Å; D775-R778 IonicContact OD1-NH2 3.38Å; D775-R778 PolarHBondContact OD1-NH2 2.93Å; D775-D779 PolarHBondContact O-N 3.09Å
776I76.1Confident66.4Low50 Ų5065.2 Ų65.226%0.25635%0.35SS..Hα-helixtrans-62.3-43.1179.8-66.3170000110.8I751 T772 Y773 R778 D779 F780I751-I776 HydrophobicContact CD1-CD1 3.92Å; I751-I776 HydrophobicContact CD1-CG2 4.04Å; T772-I776 HydrophobicContact CG2-CD1 4.09Å; T772-I776 VanDerWaalsContact O-CG1 3.31Å; T772-I776 WeakPolarHBondContact O-CG1 3.34Å; T772-I776 PolarHBondContact O-N 2.87Å; Y773-I776 PolarHBondContact O-N 3.45Å; I776-R778 VanDerWaalsContact C-N 3.32Å; I776-R778 PolarHBondContact O-N 2.98Å; I776-D779 PolarHBondContact O-N 3.5Å; I776-F780 HydrophobicContact CG2-CD2 3.82Å; I776-F780 HydrophobicContact CG2-CE2 3.95Å; I776-F780 WeakPolarHBondContact O-CD2 3.34Å; I776-F780 PolarHBondContact O-N 3.42Å
777F75.9Confident67.7Low2 Ų265.5 Ų65.51%0.00934%0.339CS..Hα-helixtrans-70.6-26178-87.3-97.2000113.2C714 L717 K718 L748 I751 A752 Y773 D775 S781C714-F777 WeakPolarHBondContact SG-CD1 3.47Å; C714-F777 PolarHBondContact SG-O 3.42Å; C714-F777 VanDerWaalsContact SG-O 3.41Å; L717-F777 HydrophobicContact CB-CE1 3.66Å; L717-F777 HydrophobicContact CB-CZ 4.06Å; L717-F777 HydrophobicContact CD1-CE1 4.13Å; L717-F777 HydrophobicContact CD1-CZ 4Å; K718-F777 WeakPolarHBondContact CE-O 3.42Å; K718-F777 HydrophobicContact CG-CB 4.38Å; K718-F777 HydrophobicContact CG-CD1 3.88Å; K718-F777 PolarHBondContact NZ-O 3.09Å; K718-F777 VanDerWaalsContact NZ-O 3.15Å; L748-F777 HydrophobicContact CB-CZ 4.29Å; L748-F777 HydrophobicContact CD2-CD1 4.32Å; L748-F777 HydrophobicContact CD2-CD2 4.39Å; L748-F777 HydrophobicContact CD2-CE1 3.87Å; L748-F777 HydrophobicContact CD2-CE2 3.95Å; L748-F777 HydrophobicContact CD2-CZ 3.69Å; I751-F777 HydrophobicContact CB-CE2 4.44Å; I751-F777 HydrophobicContact CG2-CD2 4.48Å; I751-F777 HydrophobicContact CG2-CE2 3.9Å; A752-F777 HydrophobicContact CB-CZ 4.3Å; Y773-F777 HydrophobicContact CD1-CD2 4.42Å; Y773-F777 AromaticContact CD2-CD2 3.85Å; Y773-F777 HydrophobicContact CD2-CD2 3.85Å; Y773-F777 AromaticContact CD2-CE2 3.8Å; Y773-F777 HydrophobicContact CD2-CE2 3.8Å; Y773-F777 HydrophobicContact CE1-CD2 4.19Å; Y773-F777 HydrophobicContact CE1-CG 4.39Å; Y773-F777 AromaticContact CE2-CD2 3.54Å; Y773-F777 HydrophobicContact CE2-CD2 3.54Å; Y773-F777 AromaticContact CE2-CE2 3.21Å; Y773-F777 HydrophobicContact CE2-CE2 3.21Å; Y773-F777 HydrophobicContact CE2-CG 4.39Å; Y773-F777 AromaticContact CE2-CZ 3.84Å; Y773-F777 HydrophobicContact CE2-CZ 3.84Å; Y773-F777 HydrophobicContact CG-CD2 4.25Å; Y773-F777 AromaticContact CZ-CD2 3.74Å; Y773-F777 AromaticContact CZ-CE2 3.67Å; Y773-F777 WeakPolarHBondContact O-CB 3.15Å; Y773-F777 WeakPolarHBondContact O-CD2 3.42Å; Y773-F777 PolarHBondContact O-N 3.01Å; D775-F777 VanDerWaalsContact C-N 3.34Å; D775-F777 PolarHBondContact O-N 3.5Å; F777-S781 PolarHBondContact O-N 3.17Å; F777-S781 VanDerWaalsContact O-N 3.16Å
778R77.9Confident68.7Low129 Ų12959.8 Ų59.849%0.48732%0.318SS..Hα-helixtrans-70.4-44.7170.7-175.1177.165.4-116.4-7.2110.6Q774 D775 I776 S781 H782Q774-R778 WeakPolarHBondContact O-CB 3.4Å; Q774-R778 PolarHBondContact O-N 3.09Å; D775-R778 WeakPolarHBondContact O-CB 3.16Å; D775-R778 PolarHBondContact O-N 2.64Å; D775-R778 VanDerWaalsContact O-N 3.16Å; D775-R778 IonicContact OD1-CZ 3.93Å; D775-R778 IonicContact OD1-NH1 2.74Å; D775-R778 PolarHBondContact OD1-NH1 2.7Å; D775-R778 IonicContact OD1-NH2 3.38Å; D775-R778 PolarHBondContact OD1-NH2 2.93Å; I776-R778 VanDerWaalsContact C-N 3.32Å; I776-R778 PolarHBondContact O-N 2.98Å; R778-S781 PolarHBondContact O-N 3.18Å; R778-H782 WeakPolarHBondContact O-CB 3.28Å; R778-H782 PolarHBondContact O-N 3.22Å
779D78.4Confident69.9Low91 Ų9161.9 Ų61.949%0.48732%0.32SS..Hα-helixtrans-62.3-45.1177.2-70.3-9.5000111.9D775 I776 H782 M783D775-D779 PolarHBondContact O-N 3.09Å; I776-D779 PolarHBondContact O-N 3.5Å; D779-H782 PolarHBondContact O-N 3.32Å; D779-M783 WeakPolarHBondContact O-CG 3.46Å; D779-M783 PolarHBondContact O-N 3.29Å
780F76.1Confident71Confident30 Ų3067.7 Ų67.713%0.13234%0.338CS..Hα-helixtrans-65.7-39177-88.3-76.9000113.5T710 C714 D744 L748 I776 M783 A784 L791T710-F780 HydrophobicContact CG2-CD1 4.08Å; T710-F780 HydrophobicContact CG2-CE1 4.14Å; C714-F780 HydrophobicContact CB-CB 4.42Å; D744-F780 HydrophobicContact CB-CE1 4.33Å; L748-F780 HydrophobicContact CD1-CD1 4.33Å; L748-F780 HydrophobicContact CD1-CG 4.39Å; L748-F780 HydrophobicContact CD2-CB 4.26Å; L748-F780 HydrophobicContact CD2-CD2 3.63Å; L748-F780 HydrophobicContact CD2-CE2 4.06Å; L748-F780 HydrophobicContact CD2-CG 3.91Å; L748-F780 HydrophobicContact CG-CD2 4.35Å; L748-F780 HydrophobicContact CG-CE2 4.43Å; L748-F780 HydrophobicContact CG-CG 4.47Å; I776-F780 HydrophobicContact CG2-CD2 3.82Å; I776-F780 HydrophobicContact CG2-CE2 3.95Å; I776-F780 WeakPolarHBondContact O-CD2 3.34Å; I776-F780 PolarHBondContact O-N 3.42Å; F780-M783 HydrophobicContact CD1-CE 3.71Å; F780-M783 HydrophobicContact CE1-CE 3.94Å; F780-M783 HydrophobicContact CG-CE 4.02Å; F780-M783 HydrophobicContact CZ-CE 4.44Å; F780-A784 WeakPolarHBondContact O-CB 3.37Å; F780-A784 PolarHBondContact O-N 3.19Å; F780-L791 HydrophobicContact CD1-CD2 4Å; F780-L791 HydrophobicContact CE1-CD2 4.17Å
781S74.3Confident71.4Confident6 Ų666.8 Ų66.84%0.04233%0.333CS..Hα-helixtrans-63.4-49.6170.2-86.10000111.5E464 K718 F777 R778 M783 A784 S785E464-S781 WeakPolarHBondContact OE1-CB 3.46Å; K718-S781 VanDerWaalsContact NZ-CB 3.31Å; K718-S781 PolarHBondContact NZ-OG 3.2Å; F777-S781 PolarHBondContact O-N 3.17Å; F777-S781 VanDerWaalsContact O-N 3.16Å; R778-S781 PolarHBondContact O-N 3.18Å; S781-M783 PolarHBondContact O-N 2.88Å; S781-A784 CarbonylContact O-C 3.41Å; S781-A784 WeakPolarHBondContact O-CA 3.49Å; S781-A784 WeakPolarHBondContact O-CB 3.49Å; S781-A784 PolarHBondContact O-N 3.19Å; S781-S785 PolarHBondContact O-N 3.1Å; S781-S785 PolarHBondContact O-OG 3.13Å
782H73.8Confident71.4Confident93 Ų9367.2 Ų67.243%0.43133%0.328SS..Hα-helixtrans-58.1-35.9179.5-176.9-91.2000112.5R778 D779 N786R778-H782 WeakPolarHBondContact O-CB 3.28Å; R778-H782 PolarHBondContact O-N 3.22Å; D779-H782 PolarHBondContact O-N 3.32Å; H782-N786 PolarHBondContact CD2-ND2 3.19Å; H782-N786 PolarHBondContact NE2-ND2 2.94Å; H782-N786 WeakPolarHBondContact O-CB 3.31Å; H782-N786 PolarHBondContact O-N 3.4Å
783M76.4Confident70.9Confident57 Ų5769.9 Ų69.928%0.28133%0.327SS..Hα-helixtrans-65.3-44.4169-73-170-69.700112.4D779 F780 S781 S785 N787 L791D779-M783 WeakPolarHBondContact O-CG 3.46Å; D779-M783 PolarHBondContact O-N 3.29Å; F780-M783 HydrophobicContact CD1-CE 3.71Å; F780-M783 HydrophobicContact CE1-CE 3.94Å; F780-M783 HydrophobicContact CG-CE 4.02Å; F780-M783 HydrophobicContact CZ-CE 4.44Å; S781-M783 PolarHBondContact O-N 2.88Å; M783-S785 PolarHBondContact O-N 3.42Å; M783-N787 CarbonylContact O-C 3.57Å; M783-N787 VanDerWaalsContact O-CA 3.26Å; M783-N787 WeakPolarHBondContact O-CA 3.44Å; M783-N787 PolarHBondContact O-N 3.05Å; M783-N787 VanDerWaalsContact O-O 3.12Å; M783-L791 HydrophobicContact CB-CD1 4.37Å; M783-L791 HydrophobicContact CB-CD2 4.15Å; M783-L791 HydrophobicContact CB-CG 4.26Å; M783-L791 HydrophobicContact CE-CD2 4.29Å; M783-L791 HydrophobicContact SD-CD2 4.49Å
784A67.6Low69.4Low11 Ų1180.2 Ų80.29%0.09137%0.366CS..Hα-helixtrans-62.6-39.7178.300000113.4L677 F780 S781 L791L677-A784 HydrophobicContact CD2-CB 4.18Å; F780-A784 WeakPolarHBondContact O-CB 3.37Å; F780-A784 PolarHBondContact O-N 3.19Å; S781-A784 CarbonylContact O-C 3.41Å; S781-A784 WeakPolarHBondContact O-CA 3.49Å; S781-A784 WeakPolarHBondContact O-CB 3.49Å; S781-A784 PolarHBondContact O-N 3.19Å; A784-L791 HydrophobicContact CB-CD1 3.68Å
785S64.4Low67.7Low34 Ų3480.7 Ų80.724%0.23838%0.38CS..Hα-helixtrans-80.3-46.3-179.3120000113.6E464 S781 M783E464-S785 VanDerWaalsContact CG-CB 3.44Å; E464-S785 WeakPolarHBondContact CG-OG 3.43Å; E464-S785 PolarHBondContact OE1-OG 3.46Å; S781-S785 PolarHBondContact O-N 3.1Å; S781-S785 PolarHBondContact O-OG 3.13Å; M783-S785 PolarHBondContact O-N 3.42Å
786N67.1Low65.8Low57 Ų5782.2 Ų82.231%0.30540%0.401SS..Hα-helixtrans-98.6-17.7-172.5-68.7-44000113.8K467 H782K467-N786 PolarHBondContact NZ-OD1 2.76Å; H782-N786 PolarHBondContact CD2-ND2 3.19Å; H782-N786 PolarHBondContact NE2-ND2 2.94Å; H782-N786 WeakPolarHBondContact O-CB 3.31Å; H782-N786 PolarHBondContact O-N 3.4Å
787N69.6Low63.5Low59 Ų5986.6 Ų86.632%0.31643%0.426SS..  trans-145.754.2-177.9-65.4-107.3000112.7M783 E789 K790M783-N787 CarbonylContact O-C 3.57Å; M783-N787 VanDerWaalsContact O-CA 3.26Å; M783-N787 WeakPolarHBondContact O-CA 3.44Å; M783-N787 PolarHBondContact O-N 3.05Å; M783-N787 VanDerWaalsContact O-O 3.12Å; N787-E789 PolarHBondContact O-N 3.08Å; N787-K790 HydrophobicContact CB-CB 4.35Å; N787-K790 HydrophobicContact CB-CD 3.7Å; N787-K790 HydrophobicContact CB-CG 4Å; N787-K790 WeakPolarHBondContact O-CB 3.46Å; N787-K790 PolarHBondContact O-N 2.95Å; N787-K790 VanDerWaalsContact OD1-CE 3.31Å; N787-K790 WeakPolarHBondContact OD1-CE 3.46Å; N787-K790 PolarHBondContact OD1-NZ 2.91Å
788P66.4Low61.6Low64 Ų6492.5 Ų92.542%0.41646%0.464SS..G310 helixtrans-56-30.7-172.821.2-33.4000113.9K790 L791 R792P788-K790 PolarHBondContact O-N 3.36Å; P788-L791 PolarHBondContact O-N 2.61Å; P788-R792 PolarHBondContact O-N 3.12Å
789E70.7Confident59.5Low118 Ų11895.6 Ų95.655%0.55148%0.481SS*.G310 helixtrans-62.5-23.6175.1-62-53.3138.100114N787 L791 R792N787-E789 PolarHBondContact O-N 3.08Å; E789-L791 VanDerWaalsContact C-N 3.26Å; E789-L791 PolarHBondContact O-N 3.16Å; E789-R792 PolarHBondContact O-N 3.31Å; E789-R792 WeakPolarHBondContact OE1-CD 3.5Å; E789-R792 IonicContact OE1-CZ 3.31Å; E789-R792 IonicContact OE1-NE 3.88Å; E789-R792 IonicContact OE1-NH1 2.68Å; E789-R792 PolarHBondContact OE1-NH1 3.47Å; E789-R792 WeakPolarHBondContact OE2-CD 3.48Å; E789-R792 IonicContact OE2-NH1 3.15Å
790K70.2Confident57.7Low148 Ų148100.8 Ų100.864%0.64352%0.519SS*.G310 helixtrans-71.6-22173.4-68.5-179.6-179.3159.50112.8N787 P788N787-K790 HydrophobicContact CB-CB 4.35Å; N787-K790 HydrophobicContact CB-CD 3.7Å; N787-K790 HydrophobicContact CB-CG 4Å; N787-K790 WeakPolarHBondContact O-CB 3.46Å; N787-K790 PolarHBondContact O-N 2.95Å; N787-K790 VanDerWaalsContact OD1-CE 3.31Å; N787-K790 WeakPolarHBondContact OD1-CE 3.46Å; N787-K790 PolarHBondContact OD1-NZ 2.91Å; P788-K790 PolarHBondContact O-N 3.36Å
791L66.1Low56.8Low23 Ų23104.3 Ų104.312%0.1254%0.539CS..THydrogen-bonded Turntrans-91-15.9174-58.5-177.6000112.2T710 F780 M783 A784 P788 E789 R793T710-L791 HydrophobicContact CG2-CD2 4.33Å; F780-L791 HydrophobicContact CD1-CD2 4Å; F780-L791 HydrophobicContact CE1-CD2 4.17Å; M783-L791 HydrophobicContact CB-CD1 4.37Å; M783-L791 HydrophobicContact CB-CD2 4.15Å; M783-L791 HydrophobicContact CB-CG 4.26Å; M783-L791 HydrophobicContact CE-CD2 4.29Å; M783-L791 HydrophobicContact SD-CD2 4.49Å; A784-L791 HydrophobicContact CB-CD1 3.68Å; P788-L791 PolarHBondContact O-N 2.61Å; E789-L791 VanDerWaalsContact C-N 3.26Å; E789-L791 PolarHBondContact O-N 3.16Å; L791-R793 PolarHBondContact O-N 3.35Å
792R59.7Low55.8Low152 Ų152109.5 Ų109.557%0.57457%0.565SS**  trans-82.794.2170.7-73.7175157.4-180-9109.9P788 E789 R794P788-R792 PolarHBondContact O-N 3.12Å; E789-R792 PolarHBondContact O-N 3.31Å; E789-R792 WeakPolarHBondContact OE1-CD 3.5Å; E789-R792 IonicContact OE1-CZ 3.31Å; E789-R792 IonicContact OE1-NE 3.88Å; E789-R792 IonicContact OE1-NH1 2.68Å; E789-R792 PolarHBondContact OE1-NH1 3.47Å; E789-R792 WeakPolarHBondContact OE2-CD 3.48Å; E789-R792 IonicContact OE2-NH1 3.15Å; R792-R794 PolarHBondContact O-N 2.95Å
793R56.4Low54.8Low158 Ų158110.4 Ų110.460%0.59657%0.572SS**  trans-64.5131.7164.3-65.7-173.1-174.6-144.3-1.7108.3D744 L791 S795D744-R793 IonicContact OD1-NH2 2.81Å; D744-R793 PolarHBondContact OD1-NH2 2.98Å; D744-R793 IonicContact OD2-CZ 3.01Å; D744-R793 IonicContact OD2-NE 2.65Å; D744-R793 PolarHBondContact OD2-NE 3.48Å; D744-R793 IonicContact OD2-NH2 2.94Å; D744-R793 PolarHBondContact OD2-NH2 3.48Å; L791-R793 PolarHBondContact O-N 3.35Å; R793-S795 PolarHBondContact O-N 3.42Å
794R42.3Very low53.6Low240 Ų240113.5 Ų113.591%0.90659%0.59SS**  trans-52.4129.7166-70-177.7179.4-179.3-0.9107.8R792 A796R792-R794 PolarHBondContact O-N 2.95Å; R794-A796 PolarHBondContact O-N 2.77Å; R794-A796 VanDerWaalsContact O-N 3.14Å
795S36.1Very low52.7Low108 Ų108119.9 Ų119.976%0.75562%0.621SS**  trans-46121.5169.346.80000108.4R793 D797R793-S795 PolarHBondContact O-N 3.42Å; S795-D797 PolarHBondContact O-N 3.15Å; S795-D797 VanDerWaalsContact O-N 3.12Å
796A36Very low51.9Low96 Ų96125.7 Ų125.779%0.79365%0.646SS**  trans-59121.2-174.900000109.3R794R794-A796 PolarHBondContact O-N 2.77Å; R794-A796 VanDerWaalsContact O-N 3.14Å
797D28.5Very low50.8Low143 Ų143130.6 Ų130.677%0.76567%0.671SS**  trans-51.3129.8170.1-66.4-60.6000108.4S795 K799S795-D797 PolarHBondContact O-N 3.15Å; S795-D797 VanDerWaalsContact O-N 3.12Å; D797-K799 PolarHBondContact O-N 2.69Å
798P35.9Very low49.4Very low125 Ų125136.1 Ų136.181%0.81270%0.698SS**  trans-60.3113.5171.125.2-31.5000107.5
799K32.8Very low48Very low194 Ų194142.1 Ų142.184%0.84372%0.721SS**  trans-60.9147.4177.7-86-177176.2179.50110.2D797D797-K799 PolarHBondContact O-N 2.69Å
800P41Very low45.9Very low200 Ų200144.3 Ų144.3100%1.29974%0.737SS**  trans-67.20-157.128-38.2000115.1

Retrieved 800 of 800 residues in 486.1 ms (Link to these results)

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