A0A5K4F1L3_SCHMA Loading...

Pellino

AlphaFold DB , UniProt , Accession A0A5K4F1L3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 493 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
1M48.1Very low85.3Confident215 Ų21562.2 Ų62.2100%1.05934%0.342SS*.  0-22.10-83.9-170.6-95.400113.6D3 Q4M1-D3 PolarHBondContact O-N 3.13Å; M1-Q4 PolarHBondContact O-N 3.42Å
2A56.3Low86.1Confident104 Ų10457.3 Ų57.386%0.8632%0.315SS*.THydrogen-bonded Turntrans-55.5-26.4-173.600000115.5
3D73.5Confident86.8Confident155 Ų15553 Ų5383%0.82929%0.291SS*.THydrogen-bonded Turntrans-100.52-176.3-59.5-31.8000115M1 V5M1-D3 PolarHBondContact O-N 3.13Å; D3-V5 PolarHBondContact O-N 2.86Å
4Q88.5Confident87.1Confident102 Ų10250.4 Ų50.448%0.47728%0.282SS..  trans-79.2113.2-176.6-161.5176.314.800110.7M1 F6 F35M1-Q4 PolarHBondContact O-N 3.42Å; Q4-F6 PolarHBondContact O-N 3.22Å; Q4-F35 HydrophobicContact CG-CB 3.92Å; Q4-F35 HydrophobicContact CG-CD1 3.69Å; Q4-F35 HydrophobicContact CG-CG 4.04Å
5V95.3Very high87.3Confident31 Ų3148.7 Ų48.719%0.18827%0.272CS..  trans-76112.9177.4176.40000109.3D3 Y7 F35 K36 Y158D3-V5 PolarHBondContact O-N 2.86Å; V5-Y7 HydrophobicContact CG1-CD1 4.29Å; V5-Y7 HydrophobicContact CG1-CE1 4.03Å; V5-F35 CarbonylContact O-C 3.6Å; V5-F35 WeakPolarHBondContact O-CA 3.47Å; V5-K36 HydrophobicContact CB-CB 3.69Å; V5-K36 HydrophobicContact CB-CD 4.11Å; V5-K36 HydrophobicContact CG1-CB 4.26Å; V5-K36 HydrophobicContact CG2-CD 4.21Å; V5-K36 PolarHBondContact O-N 2.76Å; V5-Y158 HydrophobicContact CG1-CD1 4.43Å; V5-Y158 HydrophobicContact CG1-CD2 4.4Å; V5-Y158 HydrophobicContact CG1-CE1 3.89Å; V5-Y158 HydrophobicContact CG1-CE2 3.86Å
6F94.6Very high87.4Confident40 Ų4047.3 Ų47.318%0.17526%0.264CS..EExtended strand (participates in β ladder)trans-80.8137.1171.7174.8-122.8000111.2Q4 G8 E9 L34 F35 R271 L274Q4-F6 PolarHBondContact O-N 3.22Å; F6-G8 WeakPolarHBondContact CE2-O 3.39Å; F6-E9 HydrophobicContact CE2-CG 3.87Å; F6-E9 HydrophobicContact CZ-CG 3.59Å; F6-L34 WeakPolarHBondContact CD2-O 3.45Å; F6-F35 HydrophobicContact CB-CD1 3.84Å; F6-F35 HydrophobicContact CB-CE1 3.8Å; F6-F35 AromaticContact CD2-CD1 3.97Å; F6-F35 HydrophobicContact CD2-CD1 3.97Å; F6-F35 AromaticContact CD2-CE1 3.67Å; F6-F35 HydrophobicContact CD2-CE1 3.67Å; F6-F35 AromaticContact CD2-CZ 3.98Å; F6-F35 HydrophobicContact CD2-CZ 3.98Å; F6-F35 HydrophobicContact CG-CD1 4.4Å; F6-F35 HydrophobicContact CG-CE1 4.11Å; F6-R271 HydrophobicContact CD1-CB 3.82Å; F6-R271 HydrophobicContact CD1-CG 3.79Å; F6-R271 HydrophobicContact CE1-CB 4.05Å; F6-R271 HydrophobicContact CE1-CG 4.31Å; F6-R271 WeakPolarHBondContact O-CD 3.49Å; F6-R271 PolarHBondContact O-NH1 3.15Å; F6-L274 HydrophobicContact CE1-CD1 3.85Å; F6-L274 HydrophobicContact CZ-CD1 3.66Å
7Y97.2Very high86.9Confident8 Ų846.6 Ų46.63%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-100.9-46.2177.9-66-42.2000112.9V5 L34 K36 D89 F91 I152 R154 Y158 R271V5-Y7 HydrophobicContact CG1-CD1 4.29Å; V5-Y7 HydrophobicContact CG1-CE1 4.03Å; Y7-L34 WeakPolarHBondContact CB-O 3.48Å; Y7-L34 PolarHBondContact N-O 3.27Å; Y7-K36 HydrophobicContact CE1-CB 4.2Å; Y7-K36 HydrophobicContact CE2-CB 3.96Å; Y7-K36 VanDerWaalsContact CE2-N 3.34Å; Y7-K36 WeakPolarHBondContact OH-CB 3.45Å; Y7-K36 WeakPolarHBondContact OH-CG 3.38Å; Y7-D89 HydrophobicContact CE2-CB 4.25Å; Y7-D89 PolarHBondContact OH-OD2 2.94Å; Y7-F91 HydrophobicContact CD2-CE2 4.08Å; Y7-F91 HydrophobicContact CD2-CZ 4.17Å; Y7-F91 HydrophobicContact CE2-CE2 4.23Å; Y7-F91 HydrophobicContact CE2-CZ 4.28Å; Y7-I152 HydrophobicContact CD1-CG2 3.73Å; Y7-I152 HydrophobicContact CD2-CB 4.08Å; Y7-I152 HydrophobicContact CD2-CD1 3.75Å; Y7-I152 HydrophobicContact CD2-CG1 4.45Å; Y7-I152 HydrophobicContact CD2-CG2 3.85Å; Y7-I152 HydrophobicContact CE1-CG2 3.89Å; Y7-I152 HydrophobicContact CE2-CB 4.08Å; Y7-I152 HydrophobicContact CE2-CG2 4Å; Y7-I152 HydrophobicContact CG-CB 4.41Å; Y7-I152 HydrophobicContact CG-CD1 3.97Å; Y7-I152 HydrophobicContact CG-CG2 3.7Å; Y7-R154 WeakPolarHBondContact OH-CA 3.33Å; Y7-Y158 HydrophobicContact CD1-CD1 4.23Å; Y7-Y158 AromaticContact CD1-CG 3.92Å; Y7-Y158 HydrophobicContact CD1-CG 3.92Å; Y7-Y158 AromaticContact CE1-CD1 3.59Å; Y7-Y158 HydrophobicContact CE1-CD1 3.59Å; Y7-Y158 HydrophobicContact CE1-CE1 4.31Å; Y7-Y158 AromaticContact CE1-CG 3.76Å; Y7-Y158 HydrophobicContact CE1-CG 3.76Å; Y7-R271 WeakPolarHBondContact O-CB 3.36Å; Y7-R271 PolarHBondContact O-N 2.98Å
8G96.4Very high86Confident0 Ų046.9 Ų46.90%028%0.279CS..EExtended strand (participates in β ladder)trans163-171.2-174.600000111.8F6 L34 R269F6-G8 WeakPolarHBondContact CE2-O 3.39Å; G8-L34 PolarHBondContact O-N 2.85Å; G8-R269 CarbonylContact C-O 3.49Å; G8-R269 WeakPolarHBondContact CA-O 3.4Å
9E96Very high84.4Confident27 Ų2747.2 Ų47.213%0.12628%0.279CS..EExtended strand (participates in β ladder)trans-131.6150.3-179.2-51.1-170.113300111.9F6 I32 S33 W268 R269 L274F6-E9 HydrophobicContact CE2-CG 3.87Å; F6-E9 HydrophobicContact CZ-CG 3.59Å; E9-I32 CarbonylContact C-O 3.03Å; E9-I32 WeakPolarHBondContact CA-O 3.41Å; E9-I32 WeakPolarHBondContact CB-O 3.48Å; E9-S33 PolarHBondContact OE1-OG 3.21Å; E9-W268 WeakPolarHBondContact O-CA 3.34Å; E9-W268 VanDerWaalsContact O-CE3 3.24Å; E9-R269 PolarHBondContact N-O 3.12Å; E9-R269 PolarHBondContact O-N 2.93Å; E9-L274 HydrophobicContact CB-CD1 4.35Å; E9-L274 HydrophobicContact CG-CD1 3.71Å
10L97.4Very high82.6Confident1 Ų147.7 Ų47.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-108.9128.9162.3-67.3167.4000108.6K31 I32 I93 F103 I150 I259 L266 L267 W268L10-K31 CarbonylContact O-C 3.53Å; L10-K31 WeakPolarHBondContact O-CA 3.28Å; L10-K31 WeakPolarHBondContact O-CB 3.19Å; L10-I32 HydrophobicContact CB-CG2 3.93Å; L10-I32 HydrophobicContact CD1-CG2 4.27Å; L10-I32 PolarHBondContact N-O 2.97Å; L10-I32 PolarHBondContact O-N 3.08Å; L10-I93 HydrophobicContact CD1-CD1 4.23Å; L10-I93 HydrophobicContact CD1-CG1 4.03Å; L10-F103 HydrophobicContact CB-CD1 4.08Å; L10-F103 HydrophobicContact CB-CE1 3.88Å; L10-F103 HydrophobicContact CD1-CD1 4.05Å; L10-I150 HydrophobicContact CD1-CD1 3.77Å; L10-I150 HydrophobicContact CD2-CD1 4.02Å; L10-I150 HydrophobicContact CG-CD1 4.29Å; L10-I259 HydrophobicContact CD2-CD1 4.14Å; L10-L266 HydrophobicContact CD1-CD1 4.47Å; L10-L266 HydrophobicContact CD2-CB 4.41Å; L10-L266 HydrophobicContact CD2-CD1 4.46Å; L10-L267 WeakPolarHBondContact CA-O 3.47Å; L10-W268 HydrophobicContact CD2-CB 4.15Å; L10-W268 HydrophobicContact CD2-CE3 3.8Å; L10-W268 HydrophobicContact CG-CE3 4.04Å; L10-W268 HydrophobicContact CG-CZ3 4.48Å
11A95.2Very high80.9Confident1 Ų151.9 Ų51.91%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-120.6136.2173.300000110.7K31 L266 L267 E395 A397 F398A11-K31 HydrophobicContact CB-CB 3.99Å; A11-L266 CarbonylContact O-C 3.52Å; A11-L266 WeakPolarHBondContact O-CA 3.33Å; A11-L267 PolarHBondContact N-O 2.93Å; A11-L267 PolarHBondContact O-N 3.43Å; A11-E395 HydrophobicContact CB-CG 4.45Å; A11-A397 HydrophobicContact CB-CB 3.98Å; A11-F398 HydrophobicContact CB-CE1 3.69Å; A11-F398 HydrophobicContact CB-CZ 4.15Å
12I95.1Very high80.9Confident4 Ų445.3 Ų45.32%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-82.8121.3177.4-61.4163.7000109L15 S30 F103 V105 P108 V264 L266 F398I12-L15 HydrophobicContact CB-CD1 3.85Å; I12-L15 HydrophobicContact CB-CG 4.26Å; I12-L15 HydrophobicContact CD1-CD1 3.85Å; I12-L15 HydrophobicContact CG1-CD1 4.47Å; I12-L15 HydrophobicContact CG2-CD1 3.76Å; I12-L15 HydrophobicContact CG2-CG 3.89Å; I12-S30 WeakPolarHBondContact CB-O 3.42Å; I12-S30 PolarHBondContact N-O 2.78Å; I12-F103 HydrophobicContact CD1-CE1 4.28Å; I12-F103 HydrophobicContact CD1-CE2 4.07Å; I12-F103 HydrophobicContact CD1-CZ 3.55Å; I12-F103 HydrophobicContact CG1-CE1 3.97Å; I12-F103 HydrophobicContact CG1-CZ 3.6Å; I12-V105 HydrophobicContact CD1-CB 4.5Å; I12-V105 HydrophobicContact CD1-CG1 4.07Å; I12-V105 HydrophobicContact CG1-CG1 4.37Å; I12-P108 HydrophobicContact CG2-CG 4.04Å; I12-V264 HydrophobicContact CG1-CG1 4.31Å; I12-V264 HydrophobicContact CG2-CG1 4.09Å; I12-L266 HydrophobicContact CB-CD2 4.29Å; I12-L266 HydrophobicContact CG1-CD2 3.52Å; I12-F398 WeakPolarHBondContact O-CZ 3.44Å
13L94.9Very high80.3Confident1 Ų143.5 Ų43.51%0.00526%0.261CS..THydrogen-bonded Turntrans-62.2143.3173.2-83.864.6000110.7P108 T265 L267 F398 W424 L429 P442 L445L13-P108 WeakPolarHBondContact O-CG 3.48Å; L13-T265 HydrophobicContact CD2-CG2 3.99Å; L13-T265 PolarHBondContact N-O 2.78Å; L13-L267 HydrophobicContact CD1-CB 3.84Å; L13-F398 HydrophobicContact CD1-CE1 3.92Å; L13-F398 HydrophobicContact CD1-CZ 4.33Å; L13-F398 HydrophobicContact CG-CE1 4.38Å; L13-F398 HydrophobicContact CG-CZ 4.43Å; L13-W424 HydrophobicContact CD1-CH2 4.48Å; L13-W424 HydrophobicContact CD2-CH2 4.1Å; L13-W424 HydrophobicContact CD2-CZ3 3.82Å; L13-W424 HydrophobicContact CG-CH2 4.46Å; L13-L429 HydrophobicContact CD2-CD1 3.53Å; L13-P442 HydrophobicContact CG-CB 4.41Å; L13-L445 HydrophobicContact CB-CD2 3.92Å; L13-L445 WeakPolarHBondContact O-CD1 3.37Å
14G91.7Very high78.9Confident16 Ų1643.1 Ų43.117%0.16526%0.259CS..THydrogen-bonded Turntrans91.1-6.7175.700000115.8P442 F443G14-P442 PolarHBondContact N-O 2.84Å; G14-F443 CarbonylContact C-O 3.49Å; G14-F443 VanDerWaalsContact CA-O 3.24Å; G14-F443 WeakPolarHBondContact CA-O 3.29Å
15L89.2Confident77.2Confident25 Ų2542 Ų4213%0.13126%0.26CS..SBendtrans-96.4-12.5178.9-64.3-171.4000113.4I12 G17 A18 P108I12-L15 HydrophobicContact CB-CD1 3.85Å; I12-L15 HydrophobicContact CB-CG 4.26Å; I12-L15 HydrophobicContact CD1-CD1 3.85Å; I12-L15 HydrophobicContact CG1-CD1 4.47Å; I12-L15 HydrophobicContact CG2-CD1 3.76Å; I12-L15 HydrophobicContact CG2-CG 3.89Å; L15-G17 PolarHBondContact O-N 3.23Å; L15-G17 VanDerWaalsContact O-N 3.09Å; L15-A18 PolarHBondContact O-N 3.11Å; L15-A18 VanDerWaalsContact O-O 3.05Å; L15-P108 HydrophobicContact CD2-CB 3.97Å; L15-P108 HydrophobicContact CD2-CG 4.15Å; L15-P108 HydrophobicContact CG-CG 4.39Å
16N89.3Confident75.4Confident27 Ų2745.5 Ų45.514%0.14429%0.291CS..THydrogen-bonded Turntrans44.743179.2-160.321.1000113.5A18 I394 E395 F443N16-A18 PolarHBondContact O-N 3.27Å; N16-I394 WeakPolarHBondContact O-CD1 3.43Å; N16-I394 WeakPolarHBondContact O-CG1 3.28Å; N16-I394 PolarHBondContact OD1-N 2.83Å; N16-E395 PolarHBondContact OD1-N 3.17Å; N16-F443 HydrophobicContact CB-CB 4.12Å; N16-F443 WeakPolarHBondContact CB-O 3.36Å; N16-F443 PolarHBondContact N-O 2.93Å; N16-F443 WeakPolarHBondContact OD1-CD1 3.31Å
17G78.5Confident74.1Confident35 Ų3547.9 Ų47.936%0.36130%0.299SS..THydrogen-bonded Turntrans72.4-4-179.800000115.7L15 S30 E395L15-G17 PolarHBondContact O-N 3.23Å; L15-G17 VanDerWaalsContact O-N 3.09Å; G17-S30 PolarHBondContact O-OG 3.26Å; G17-E395 WeakPolarHBondContact CA-OE2 3.21Å
18A71.2Confident72.9Confident52 Ų5249 Ų4943%0.4331%0.305SS..SBendtrans-106.5145.9178.900000111.7L15 N16L15-A18 PolarHBondContact O-N 3.11Å; L15-A18 VanDerWaalsContact O-O 3.05Å; N16-A18 PolarHBondContact O-N 3.27Å
19L55.6Low72.4Confident53 Ų5351.1 Ų51.128%0.27732%0.318SS..  trans-86.6112.9163.1-77.6154.2000108.5E21 H28L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.91Å; L19-H28 WeakPolarHBondContact CD1-O 3.48Å; L19-H28 HydrophobicContact CD2-CB 4.4Å; L19-H28 VanDerWaalsContact CD2-O 3.25Å; L19-H28 WeakPolarHBondContact CD2-O 3.42Å
20A48.9Very low72.1Confident56 Ų5650.3 Ų50.346%0.46332%0.315SS..  trans-76.978.2173.400000110.9F22A20-F22 PolarHBondContact O-N 3.47Å
21E47.1Very low71.9Confident137 Ų13753 Ų5364%0.6433%0.327SS*.SBendtrans82.70.9164.6-43.3169.5148.200118.6L19 G23 K109L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.91Å; E21-G23 PolarHBondContact O-N 3.31Å; E21-K109 IonicContact OE2-NZ 3.68Å; E21-K109 PolarHBondContact OE2-NZ 3.4Å
22F47.7Very low71.8Confident77 Ų7754.6 Ų54.634%0.33834%0.335SS..  trans-75.8101.5166.9-62.8-74.4000107.4A20 N24 S106A20-F22 PolarHBondContact O-N 3.47Å; F22-N24 PolarHBondContact O-N 3.27Å; F22-N24 VanDerWaalsContact O-N 3.12Å; F22-S106 WeakPolarHBondContact CE2-OG 3.24Å
23G43.8Very low71.8Confident65 Ų6556.5 Ų56.567%0.6735%0.348SS*.  trans-40.1123.3178.400000110.2E21 T25E21-G23 PolarHBondContact O-N 3.31Å; G23-T25 VanDerWaalsContact C-N 3.29Å; G23-T25 PolarHBondContact O-N 3.16Å
24N42.6Very low71.9Confident148 Ų14856.6 Ų56.679%0.79135%0.349SS*.  trans-45.288.4-169.7-84-24.1000111.8F22F22-N24 PolarHBondContact O-N 3.27Å; F22-N24 VanDerWaalsContact O-N 3.12Å
25T52.7Low72.2Confident79 Ų7959 Ų5949%0.48536%0.355SS..  trans-90.8135.2156.652.60000105G23 R27 H28G23-T25 VanDerWaalsContact C-N 3.29Å; G23-T25 PolarHBondContact O-N 3.16Å; T25-R27 PolarHBondContact O-N 3.45Å; T25-H28 PolarHBondContact O-N 3.45Å; T25-H28 PolarHBondContact OG1-CD2 3.28Å
26A59.3Low72.6Confident103 Ų10360.5 Ų60.585%0.85136%0.36SS*.THydrogen-bonded Turntrans-56.6-7.6-172.900000115.1
27R66.4Low73Confident90 Ų9062.5 Ų62.534%0.3437%0.366SS..THydrogen-bonded Turntrans-112.5-12.5-177.1-64.4-173.2-71.8152.4-1.8114.9T25 T97 D98 V104T25-R27 PolarHBondContact O-N 3.45Å; R27-T97 VanDerWaalsContact CZ-O 3.27Å; R27-T97 PolarHBondContact NH1-O 3.01Å; R27-T97 PolarHBondContact NH2-O 2.78Å; R27-D98 PolarHBondContact NH1-O 2.76Å; R27-D98 VanDerWaalsContact NH1-O 3.08Å; R27-V104 HydrophobicContact CB-CG2 4.11Å
28H72.7Confident73.8Confident31 Ų3172 Ų7214%0.14439%0.391CS..  trans-93102.1168.6-77.9-100.5000107.3L19 T25 V104L19-H28 WeakPolarHBondContact CD1-O 3.48Å; L19-H28 HydrophobicContact CD2-CB 4.4Å; L19-H28 VanDerWaalsContact CD2-O 3.25Å; L19-H28 WeakPolarHBondContact CD2-O 3.42Å; T25-H28 PolarHBondContact O-N 3.45Å; T25-H28 PolarHBondContact OG1-CD2 3.28Å; H28-V104 VanDerWaalsContact CE1-CG1 3.46Å; H28-V104 WeakPolarHBondContact CE1-CG1 3.43Å; H28-V104 WeakPolarHBondContact NE2-CG1 3.34Å
29T85Confident75Confident45 Ų4576.4 Ų76.428%0.27640%0.403SS..  trans-133.6158.2-178.955.60000110K31 F103T29-K31 VanDerWaalsContact CB-O 3.27Å; T29-K31 WeakPolarHBondContact CB-O 3.49Å; T29-K31 PolarHBondContact O-N 3.07Å; T29-K31 PolarHBondContact OG1-O 3.15Å; T29-F103 WeakPolarHBondContact O-CE2 3.47Å
30S89.9Confident77.1Confident11 Ų1175.8 Ų75.88%0.07741%0.405CS..SBendtrans-69.4-20.4173.657.70000112.6I12 G17I12-S30 WeakPolarHBondContact CB-O 3.42Å; I12-S30 PolarHBondContact N-O 2.78Å; G17-S30 PolarHBondContact O-OG 3.26Å
31K92.5Very high79.4Confident58 Ų5875.8 Ų75.825%0.25240%0.397SS..EExtended strand (participates in β ladder)trans-153.5163.4179.364.8175.9170.1-1690112.6L10 A11 T29 E395L10-K31 CarbonylContact O-C 3.53Å; L10-K31 WeakPolarHBondContact O-CA 3.28Å; L10-K31 WeakPolarHBondContact O-CB 3.19Å; A11-K31 HydrophobicContact CB-CB 3.99Å; T29-K31 VanDerWaalsContact CB-O 3.27Å; T29-K31 WeakPolarHBondContact CB-O 3.49Å; T29-K31 PolarHBondContact O-N 3.07Å; T29-K31 PolarHBondContact OG1-O 3.15Å; K31-E395 IonicContact NZ-OE1 3.67Å; K31-E395 PolarHBondContact NZ-OE1 2.88Å; K31-E395 IonicContact NZ-OE2 3.98Å
32I94.1Very high81.8Confident34 Ų3469.3 Ų69.317%0.17437%0.368CS..EExtended strand (participates in β ladder)trans-135.6138.2172.6-171.5170.5000110.4E9 L10 L34 D102 F103E9-I32 CarbonylContact C-O 3.03Å; E9-I32 WeakPolarHBondContact CA-O 3.41Å; E9-I32 WeakPolarHBondContact CB-O 3.48Å; L10-I32 HydrophobicContact CB-CG2 3.93Å; L10-I32 HydrophobicContact CD1-CG2 4.27Å; L10-I32 PolarHBondContact N-O 2.97Å; L10-I32 PolarHBondContact O-N 3.08Å; I32-L34 HydrophobicContact CD1-CD2 4.17Å; I32-L34 HydrophobicContact CG1-CD2 4.1Å; I32-L34 HydrophobicContact CG2-CD2 3.99Å; I32-D102 HydrophobicContact CD1-CB 4.34Å; I32-D102 WeakPolarHBondContact CD1-O 3.31Å; I32-F103 HydrophobicContact CB-CB 4.49Å; I32-F103 HydrophobicContact CB-CD1 4.46Å; I32-F103 HydrophobicContact CB-CD2 4Å; I32-F103 HydrophobicContact CB-CE2 4.29Å; I32-F103 HydrophobicContact CB-CG 4.09Å; I32-F103 HydrophobicContact CD1-CB 4.13Å; I32-F103 HydrophobicContact CG2-CB 3.85Å; I32-F103 HydrophobicContact CG2-CD1 3.52Å; I32-F103 HydrophobicContact CG2-CD2 3.92Å; I32-F103 HydrophobicContact CG2-CE1 3.93Å; I32-F103 HydrophobicContact CG2-CE2 4.31Å; I32-F103 HydrophobicContact CG2-CG 3.5Å; I32-F103 VanDerWaalsContact CG2-CG 3.5Å; I32-F103 HydrophobicContact CG2-CZ 4.3Å
33S94.5Very high84.2Confident43 Ų4366.3 Ų66.330%0.30136%0.355SS..EExtended strand (participates in β ladder)trans-95.2127.6171.1-47.80000109.2E9E9-S33 PolarHBondContact OE1-OG 3.21Å
34L97.3Very high86.7Confident3 Ų369.1 Ų69.12%0.01635%0.346CS..EExtended strand (participates in β ladder)trans-97.9127.9-179.3-52.7-171.6000109.7F6 Y7 G8 I32 F91 I152 W268F6-L34 WeakPolarHBondContact CD2-O 3.45Å; Y7-L34 WeakPolarHBondContact CB-O 3.48Å; Y7-L34 PolarHBondContact N-O 3.27Å; G8-L34 PolarHBondContact O-N 2.85Å; I32-L34 HydrophobicContact CD1-CD2 4.17Å; I32-L34 HydrophobicContact CG1-CD2 4.1Å; I32-L34 HydrophobicContact CG2-CD2 3.99Å; L34-F91 HydrophobicContact CB-CE1 4.32Å; L34-F91 HydrophobicContact CB-CE2 4.35Å; L34-F91 HydrophobicContact CB-CZ 4.2Å; L34-F91 HydrophobicContact CD1-CB 4.36Å; L34-F91 HydrophobicContact CD1-CD2 3.99Å; L34-F91 HydrophobicContact CD1-CE2 4.47Å; L34-F91 HydrophobicContact CD1-CG 4.03Å; L34-F91 HydrophobicContact CD2-CB 4.44Å; L34-F91 HydrophobicContact CD2-CD1 3.81Å; L34-F91 HydrophobicContact CD2-CE1 4.23Å; L34-F91 HydrophobicContact CD2-CG 4.05Å; L34-I152 HydrophobicContact CB-CD1 4.42Å; L34-I152 HydrophobicContact CD1-CD1 3.96Å; L34-W268 HydrophobicContact CD1-CH2 4.21Å; L34-W268 HydrophobicContact CD1-CZ3 3.69Å; L34-W268 HydrophobicContact CG-CZ3 4.28Å
35F97.3Very high89.2Confident68 Ų6865.5 Ų65.530%0.29833%0.33SS..EExtended strand (participates in β ladder)trans-125.5150.4179.8-62-91.2000110.5Q4 V5 F6 R37 F91Q4-F35 HydrophobicContact CG-CB 3.92Å; Q4-F35 HydrophobicContact CG-CD1 3.69Å; Q4-F35 HydrophobicContact CG-CG 4.04Å; V5-F35 CarbonylContact O-C 3.6Å; V5-F35 WeakPolarHBondContact O-CA 3.47Å; F6-F35 HydrophobicContact CB-CD1 3.84Å; F6-F35 HydrophobicContact CB-CE1 3.8Å; F6-F35 AromaticContact CD2-CD1 3.97Å; F6-F35 HydrophobicContact CD2-CD1 3.97Å; F6-F35 AromaticContact CD2-CE1 3.67Å; F6-F35 HydrophobicContact CD2-CE1 3.67Å; F6-F35 AromaticContact CD2-CZ 3.98Å; F6-F35 HydrophobicContact CD2-CZ 3.98Å; F6-F35 HydrophobicContact CG-CD1 4.4Å; F6-F35 HydrophobicContact CG-CE1 4.11Å; F35-R37 PolarHBondContact O-N 3.29Å; F35-F91 WeakPolarHBondContact O-CZ 3.43Å
36K97.9Very high91.2Very high55 Ų5563 Ų6324%0.23932%0.321CS..  trans-51.9123.7169.6-174.5166.4-177.8170.40109.6V5 Y7 D89 R154V5-K36 HydrophobicContact CB-CB 3.69Å; V5-K36 HydrophobicContact CB-CD 4.11Å; V5-K36 HydrophobicContact CG1-CB 4.26Å; V5-K36 HydrophobicContact CG2-CD 4.21Å; V5-K36 PolarHBondContact O-N 2.76Å; Y7-K36 HydrophobicContact CE1-CB 4.2Å; Y7-K36 HydrophobicContact CE2-CB 3.96Å; Y7-K36 VanDerWaalsContact CE2-N 3.34Å; Y7-K36 WeakPolarHBondContact OH-CB 3.45Å; Y7-K36 WeakPolarHBondContact OH-CG 3.38Å; K36-D89 VanDerWaalsContact CA-OD2 3.31Å; K36-D89 WeakPolarHBondContact CA-OD2 3.47Å; K36-R154 VanDerWaalsContact CE-CZ 3.45Å; K36-R154 WeakPolarHBondContact CE-O 3.33Å; K36-R154 PolarHBondContact NZ-O 3.23Å
37R97.1Very high92.8Very high70 Ų7061.6 Ų61.626%0.26430%0.303SS..  trans-71.5152.6176.7-63.4-175.2-175.2-93.74.9109.4F35 E39 N41 D89 M90 F91 D102 R154F35-R37 PolarHBondContact O-N 3.29Å; R37-E39 VanDerWaalsContact C-N 3.28Å; R37-E39 VanDerWaalsContact CB-O 3.22Å; R37-E39 WeakPolarHBondContact CB-O 3.46Å; R37-E39 PolarHBondContact O-N 2.87Å; R37-N41 VanDerWaalsContact CD-CG 3.5Å; R37-N41 WeakPolarHBondContact CD-OD1 3.35Å; R37-N41 PolarHBondContact NE-ND2 3.32Å; R37-N41 PolarHBondContact NE-OD1 3.18Å; R37-D89 HydrophobicContact CG-CB 4.38Å; R37-D89 PolarHBondContact N-OD2 2.55Å; R37-M90 PolarHBondContact NE-O 3.28Å; R37-M90 PolarHBondContact NH2-O 2.99Å; R37-F91 HydrophobicContact CG-CZ 4.46Å; R37-D102 IonicContact CZ-OD1 3.73Å; R37-D102 IonicContact NH1-OD1 3.32Å; R37-D102 IonicContact NH2-OD1 2.96Å; R37-D102 PolarHBondContact NH2-OD1 3.11Å; R37-D102 IonicContact NH2-OD2 3.21Å; R37-D102 PolarHBondContact NH2-OD2 2.88Å; R37-R154 PolarHBondContact O-NH1 3.06Å; R37-R154 PolarHBondContact O-NH2 2.83Å
38R96.2Very high94.2Very high234 Ų23460 Ų6088%0.88330%0.303SS*.SBendtrans-55.4-48.7173-176.1-179.2175176.7-1.7110.6R154R38-R154 PolarHBondContact O-NH2 3.44Å
39E97.1Very high95.2Very high145 Ų14561.9 Ų61.968%0.67831%0.314SS*.SBendtrans-116.4141177.3-66.9176.1-168.200110.1R37R37-E39 VanDerWaalsContact C-N 3.28Å; R37-E39 VanDerWaalsContact CB-O 3.22Å; R37-E39 WeakPolarHBondContact CB-O 3.46Å; R37-E39 PolarHBondContact O-N 2.87Å
40A98.2Very high95.6Very high40 Ų4067.7 Ų67.733%0.33134%0.335SS..  trans-65.5133.8177.100000110.1P86 D89A40-P86 WeakPolarHBondContact CB-O 3.5Å; A40-D89 WeakPolarHBondContact CA-OD1 3.48Å
41N97.7Very high95.9Very high55 Ų5568.3 Ų68.329%0.29434%0.339SS..  trans-125.59.9176.375.5-35.9000112.6R37 D89 M90R37-N41 VanDerWaalsContact CD-CG 3.5Å; R37-N41 WeakPolarHBondContact CD-OD1 3.35Å; R37-N41 PolarHBondContact NE-ND2 3.32Å; R37-N41 PolarHBondContact NE-OD1 3.18Å; N41-D89 WeakPolarHBondContact OD1-CA 3.38Å; N41-M90 PolarHBondContact ND2-O 2.84Å; N41-M90 PolarHBondContact OD1-N 3.07Å; N41-M90 PolarHBondContact OD1-O 3.36Å
42G98Very high96Very high2 Ų269.1 Ų69.12%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-63.4159.1175.200000112.4D85 V88G42-D85 PolarHBondContact O-N 3.27Å; G42-V88 VanDerWaalsContact CA-O 3.25Å; G42-V88 WeakPolarHBondContact CA-O 3.18Å; G42-V88 PolarHBondContact N-O 3.43Å
43V98.1Very high96Very high13 Ų1372.1 Ų72.18%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-136.6154179.7-64.40000110.7P66 Y82 V83 M90 H151 F167V43-P66 HydrophobicContact CG1-CB 4.44Å; V43-P66 HydrophobicContact CG1-CG 4.06Å; V43-Y82 HydrophobicContact CB-CD1 4.03Å; V43-Y82 HydrophobicContact CG2-CD1 3.75Å; V43-Y82 HydrophobicContact CG2-CE1 4.49Å; V43-V83 WeakPolarHBondContact CA-O 3.49Å; V43-M90 HydrophobicContact CG2-SD 4.24Å; V43-H151 PolarHBondContact O-CE1 3.39Å; V43-F167 HydrophobicContact CG2-CE2 3.83Å; V43-F167 HydrophobicContact CG2-CZ 4.09Å
44R96.4Very high95.8Very high124 Ų12470.7 Ų70.747%0.46835%0.353SS..EExtended strand (participates in β ladder)trans-138.3155.6175.363-178.3179.882.1-0.8111.1G46 Y82 V83 D85R44-G46 PolarHBondContact O-N 2.74Å; R44-Y82 VanDerWaalsContact C-CD1 3.46Å; R44-Y82 WeakPolarHBondContact O-CA 3.36Å; R44-V83 HydrophobicContact CG-CG2 3.7Å; R44-V83 PolarHBondContact N-O 2.84Å; R44-V83 PolarHBondContact O-N 3.17Å; R44-D85 HydrophobicContact CB-CB 4.31Å; R44-D85 HydrophobicContact CG-CB 4.19Å
45P95.4Very high95.5Very high72 Ų7279 Ų7947%0.46838%0.384SS..EExtended strand (participates in β ladder)trans-56138.3176.3-23.833.4000112V80 Y82P45-V80 HydrophobicContact CB-CG1 4.36Å; P45-Y82 HydrophobicContact CG-CE1 4.02Å
46G93.9Very high95.2Very high28 Ų2880.3 Ų80.329%0.28939%0.394SS..EExtended strand (participates in β ladder)trans-127.6-139.517800000111.2R44 E81R44-G46 PolarHBondContact O-N 2.74Å; G46-E81 CarbonylContact C-O 3.59Å; G46-E81 VanDerWaalsContact CA-O 3.22Å; G46-E81 WeakPolarHBondContact CA-O 3.4Å; G46-E81 PolarHBondContact N-O 3.2Å
47P94Very high94.9Very high72 Ų7278 Ų7847%0.46838%0.384SS..EExtended strand (participates in β ladder)trans-58.3148.6-179.2-25.334.8000114.2E81P47-E81 PolarHBondContact O-N 2.99Å
48V94.6Very high94.6Very high58 Ų5880 Ų8035%0.35240%0.404SS..EExtended strand (participates in β ladder)trans-119.8123.9178.5-176.20000109.7V78 V79 V80V48-V78 HydrophobicContact CG1-CG1 3.48Å; V48-V78 VanDerWaalsContact CG1-CG1 3.48Å; V48-V79 WeakPolarHBondContact CA-O 3.46Å; V48-V80 HydrophobicContact CG1-CG2 4.28Å; V48-V80 HydrophobicContact CG2-CG1 4.29Å; V48-V80 HydrophobicContact CG2-CG2 4.13Å
49N93.3Very high94.1Very high70 Ų7069 Ų6937%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-121.2143.2-177.1-74.5-44.8000111.3V78 V79 E81N49-V78 CarbonylContact O-C 3.43Å; N49-V78 WeakPolarHBondContact O-CA 3.46Å; N49-V79 PolarHBondContact N-O 3.34Å; N49-V79 PolarHBondContact O-N 3.14Å; N49-E81 PolarHBondContact ND2-OE1 3.35Å
50K94.4Very high93.8Very high166 Ų16662.9 Ų62.972%0.72234%0.336SS*.EExtended strand (participates in β ladder)trans-106.1124.3171.6-66.7-174.5-177.9174.80109.2V78K50-V78 HydrophobicContact CG-CG2 4.26Å
51V96Very high93.3Very high25 Ų2565.3 Ų65.315%0.15235%0.347CS..EExtended strand (participates in β ladder)trans-133158-179.1-670000110.6K53 N56 T77 V79V51-K53 VanDerWaalsContact C-N 3.33Å; V51-K53 WeakPolarHBondContact CG2-O 3.43Å; V51-K53 PolarHBondContact O-N 3.02Å; V51-N56 HydrophobicContact CB-CB 4.33Å; V51-T77 PolarHBondContact N-O 3.36Å; V51-T77 PolarHBondContact O-N 2.83Å; V51-T77 VanDerWaalsContact O-O 3.12Å; V51-V79 HydrophobicContact CG2-CG2 3.79Å
52P94.9Very high92.9Very high75 Ų7565.7 Ų65.749%0.48735%0.349SS..SBendtrans-60.2-41.7178.7-2735.6000113.6N75 V76P52-N75 VanDerWaalsContact CA-O 3.28Å; P52-N75 WeakPolarHBondContact CA-O 3.17Å; P52-N75 CarbonylContact O-C 3.19Å; P52-N75 WeakPolarHBondContact O-CA 3.37Å; P52-V76 PolarHBondContact O-N 3.43Å
53K92.9Very high92.3Very high97 Ų9773.6 Ų73.642%0.42238%0.378SS..SBendtrans-142.3151.1176.9-61.5-177.2178.2-178.40109.3V51 R55 N56V51-K53 VanDerWaalsContact C-N 3.33Å; V51-K53 WeakPolarHBondContact CG2-O 3.43Å; V51-K53 PolarHBondContact O-N 3.02Å; K53-R55 VanDerWaalsContact C-N 3.27Å; K53-R55 HydrophobicContact CB-CG 4.28Å; K53-R55 PolarHBondContact O-N 2.77Å; K53-N56 VanDerWaalsContact O-CB 3.29Å; K53-N56 WeakPolarHBondContact O-CB 3.46Å; K53-N56 PolarHBondContact O-N 3.32Å
54A91.4Very high91.9Very high13 Ų1379.7 Ų79.711%0.10741%0.411CS..G310 helixtrans-48.9-47-178.700000113.2N56 S57 V60 T77 F174A54-N56 PolarHBondContact O-N 3.35Å; A54-S57 WeakPolarHBondContact O-CB 3.37Å; A54-S57 PolarHBondContact O-N 3.31Å; A54-V60 HydrophobicContact CB-CG1 4.35Å; A54-V60 HydrophobicContact CB-CG2 4.4Å; A54-V60 WeakPolarHBondContact O-CB 3.19Å; A54-V60 WeakPolarHBondContact O-CG2 3.47Å; A54-T77 HydrophobicContact CB-CG2 4.05Å; A54-F174 HydrophobicContact CB-CD1 4.3Å; A54-F174 HydrophobicContact CB-CE1 3.9Å
55R90.8Very high91.7Very high178 Ų17875.4 Ų75.467%0.67240%0.398SS*.G310 helixtrans-60.5-14.7179.170.9-178-175.3178.13.6115.4K53 S57 T61K53-R55 VanDerWaalsContact C-N 3.27Å; K53-R55 HydrophobicContact CB-CG 4.28Å; K53-R55 PolarHBondContact O-N 2.77Å; R55-S57 VanDerWaalsContact C-N 3.32Å; R55-T61 WeakPolarHBondContact O-CG2 3.34Å
56N91.8Very high91.8Very high94 Ų9472.9 Ų72.950%0.50338%0.382SS..G310 helixtrans-83.9-11.6175.8-66.457.4000111.9V51 K53 A54V51-N56 HydrophobicContact CB-CB 4.33Å; K53-N56 VanDerWaalsContact O-CB 3.29Å; K53-N56 WeakPolarHBondContact O-CB 3.46Å; K53-N56 PolarHBondContact O-N 3.32Å; A54-N56 PolarHBondContact O-N 3.35Å
57S91.8Very high92Very high6 Ų671.5 Ų71.54%0.04237%0.368CS..SBendtrans-84.1130.9172.6177.50000110.3A54 R55 A59 V60 T61A54-S57 WeakPolarHBondContact O-CB 3.37Å; A54-S57 PolarHBondContact O-N 3.31Å; R55-S57 VanDerWaalsContact C-N 3.32Å; S57-A59 PolarHBondContact O-N 2.75Å; S57-A59 PolarHBondContact OG-N 3.06Å; S57-V60 PolarHBondContact O-N 3.46Å; S57-T61 PolarHBondContact O-N 2.79Å; S57-T61 PolarHBondContact O-OG1 2.79Å
58V88.8Confident92.1Very high112 Ų11268.1 Ų68.168%0.67935%0.346SS*.Hα-helixtrans-58.9-38.5176.5178.70000110.8V60 T61 N62V58-V60 VanDerWaalsContact C-N 3.32Å; V58-V60 PolarHBondContact O-N 3.26Å; V58-T61 WeakPolarHBondContact CA-OG1 3.48Å; V58-T61 PolarHBondContact O-N 2.77Å; V58-T61 VanDerWaalsContact O-N 3.16Å; V58-T61 PolarHBondContact O-OG1 3.38Å; V58-N62 WeakPolarHBondContact O-CB 3.16Å; V58-N62 PolarHBondContact O-N 2.82Å
59A87.1Confident92.3Very high4 Ų465.3 Ų65.33%0.03333%0.329CS..Hα-helixtrans-60.2-40.2178.700000112.7S57 T61 N62 T65 A67 E81S57-A59 PolarHBondContact O-N 2.75Å; S57-A59 PolarHBondContact OG-N 3.06Å; A59-T61 VanDerWaalsContact C-N 3.33Å; A59-T61 PolarHBondContact O-N 2.92Å; A59-N62 PolarHBondContact O-N 3.05Å; A59-T65 HydrophobicContact CB-CG2 3.96Å; A59-A67 HydrophobicContact CB-CB 4.38Å; A59-E81 HydrophobicContact CB-CB 4.48Å; A59-E81 VanDerWaalsContact CB-CD 3.49Å; A59-E81 HydrophobicContact CB-CG 3.5Å; A59-E81 VanDerWaalsContact CB-CG 3.5Å
60V90.5Very high92.5Very high16 Ų1662 Ų6210%0.09731%0.311CS..Hα-helixtrans-68.9-35178.3175.30000111.4A54 S57 V58 A67 S69 V79 N172 F174A54-V60 HydrophobicContact CB-CG1 4.35Å; A54-V60 HydrophobicContact CB-CG2 4.4Å; A54-V60 WeakPolarHBondContact O-CB 3.19Å; A54-V60 WeakPolarHBondContact O-CG2 3.47Å; S57-V60 PolarHBondContact O-N 3.46Å; V58-V60 VanDerWaalsContact C-N 3.32Å; V58-V60 PolarHBondContact O-N 3.26Å; V60-A67 HydrophobicContact CG2-CB 4.38Å; V60-S69 WeakPolarHBondContact CG2-OG 3.45Å; V60-V79 HydrophobicContact CG2-CG1 3.81Å; V60-V79 HydrophobicContact CG2-CG2 4.1Å; V60-N172 PolarHBondContact O-ND2 3.25Å; V60-F174 HydrophobicContact CG1-CE1 3.96Å; V60-F174 HydrophobicContact CG1-CZ 3.95Å
61T88Confident92.6Very high92 Ų9255.3 Ų55.356%0.56428%0.284SS*.Hα-helixtrans-79.9-20.6178560000113.4R55 S57 V58 A59R55-T61 WeakPolarHBondContact O-CG2 3.34Å; S57-T61 PolarHBondContact O-N 2.79Å; S57-T61 PolarHBondContact O-OG1 2.79Å; V58-T61 WeakPolarHBondContact CA-OG1 3.48Å; V58-T61 PolarHBondContact O-N 2.77Å; V58-T61 VanDerWaalsContact O-N 3.16Å; V58-T61 PolarHBondContact O-OG1 3.38Å; A59-T61 VanDerWaalsContact C-N 3.33Å; A59-T61 PolarHBondContact O-N 2.92Å
62N88.3Confident92.5Very high63 Ų6358 Ų5834%0.33730%0.297SS..  trans-89.8107.1178.9-175.9-1.5000110.6V58 A59 N64 T65V58-N62 WeakPolarHBondContact O-CB 3.16Å; V58-N62 PolarHBondContact O-N 2.82Å; A59-N62 PolarHBondContact O-N 3.05Å; N62-N64 PolarHBondContact O-N 2.72Å; N62-N64 WeakPolarHBondContact OD1-CB 3.46Å; N62-N64 PolarHBondContact OD1-N 3.22Å; N62-T65 PolarHBondContact ND2-OG1 2.84Å; N62-T65 PolarHBondContact O-N 2.65Å
63R87Confident92.4Very high168 Ų16856.7 Ų56.763%0.63429%0.29SS*.THydrogen-bonded Turntrans-62.2-14179.8-64.6-174.5179-175.90.6114.4N171R63-N171 PolarHBondContact O-ND2 2.79Å
64N88.6Confident92.2Very high141 Ų14161.2 Ų61.275%0.75430%0.304SS*.THydrogen-bonded Turntrans-90.6-4.4177.5-63.2-24.8000113.3N62N62-N64 PolarHBondContact O-N 2.72Å; N62-N64 WeakPolarHBondContact OD1-CB 3.46Å; N62-N64 PolarHBondContact OD1-N 3.22Å
65T92.3Very high92.3Very high33 Ų3366.3 Ų66.320%0.20233%0.329CS..SBendtrans-116.6101.9-177.7-56.40000109.4A59 N62 A67A59-T65 HydrophobicContact CB-CG2 3.96Å; N62-T65 PolarHBondContact ND2-OG1 2.84Å; N62-T65 PolarHBondContact O-N 2.65Å; T65-A67 PolarHBondContact O-N 2.97Å
66P96.9Very high92.5Very high19 Ų1960.5 Ų60.512%0.12331%0.314CS..  trans-60137.6176.3-2334.7000111.5V43 Y82 F167 N171V43-P66 HydrophobicContact CG1-CB 4.44Å; V43-P66 HydrophobicContact CG1-CG 4.06Å; P66-Y82 WeakPolarHBondContact O-CB 3.45Å; P66-Y82 PolarHBondContact O-N 3.46Å; P66-F167 HydrophobicContact CB-CD1 4.16Å; P66-F167 HydrophobicContact CB-CE1 3.78Å; P66-F167 HydrophobicContact CB-CZ 4.02Å; P66-N171 CarbonylContact C-O 3.58Å; P66-N171 WeakPolarHBondContact CA-O 3.39Å; P66-N171 HydrophobicContact CB-CB 4.21Å; P66-N171 HydrophobicContact CG-CB 4.14Å
67A97.7Very high92.8Very high0 Ų056.1 Ų56.10%029%0.29CS..EExtended strand (participates in β ladder)trans-146.5146.9-175.600000112.6A59 V60 T65 V79 V80 N171 N172 I173A59-A67 HydrophobicContact CB-CB 4.38Å; V60-A67 HydrophobicContact CG2-CB 4.38Å; T65-A67 PolarHBondContact O-N 2.97Å; A67-V79 HydrophobicContact CB-CG1 4.15Å; A67-V80 WeakPolarHBondContact CA-O 3.25Å; A67-N171 PolarHBondContact N-O 3.09Å; A67-N172 WeakPolarHBondContact O-CA 3.5Å; A67-I173 PolarHBondContact O-N 2.92Å
68I97.8Very high93Very high0 Ų056.1 Ų56.10%029%0.29CS..EExtended strand (participates in β ladder)trans-116.1121.9172-49.8-169.1000109F70 V79 V80 Y82 F167 I173 L175 V229I68-F70 HydrophobicContact CB-CE2 3.88Å; I68-F70 HydrophobicContact CB-CZ 4.26Å; I68-F70 HydrophobicContact CG2-CD2 4.12Å; I68-F70 HydrophobicContact CG2-CE1 4.12Å; I68-F70 HydrophobicContact CG2-CE2 3.42Å; I68-F70 VanDerWaalsContact CG2-CE2 3.42Å; I68-F70 HydrophobicContact CG2-CZ 3.43Å; I68-F70 VanDerWaalsContact CG2-CZ 3.43Å; I68-V79 WeakPolarHBondContact O-CA 3.39Å; I68-V80 PolarHBondContact N-O 2.82Å; I68-V80 PolarHBondContact O-N 3.12Å; I68-Y82 HydrophobicContact CB-CE2 4.19Å; I68-Y82 HydrophobicContact CD1-CD2 4.38Å; I68-Y82 HydrophobicContact CD1-CE1 4.44Å; I68-Y82 HydrophobicContact CD1-CE2 3.46Å; I68-Y82 VanDerWaalsContact CD1-CE2 3.46Å; I68-Y82 VanDerWaalsContact CD1-CZ 3.49Å; I68-Y82 VanDerWaalsContact CD1-OH 3.29Å; I68-Y82 WeakPolarHBondContact CD1-OH 3.31Å; I68-Y82 HydrophobicContact CG1-CD2 4.01Å; I68-Y82 HydrophobicContact CG1-CE2 3.46Å; I68-Y82 VanDerWaalsContact CG1-CE2 3.46Å; I68-F167 HydrophobicContact CG1-CE1 4.16Å; I68-I173 WeakPolarHBondContact CA-O 3.38Å; I68-I173 HydrophobicContact CB-CB 4.4Å; I68-I173 HydrophobicContact CD1-CB 4.48Å; I68-I173 HydrophobicContact CD1-CD1 3.92Å; I68-I173 HydrophobicContact CG1-CB 4.04Å; I68-I173 HydrophobicContact CG1-CD1 4.17Å; I68-I173 HydrophobicContact CG1-CG1 4.48Å; I68-I173 HydrophobicContact CG2-CB 4.06Å; I68-I173 HydrophobicContact CG2-CG2 4.07Å; I68-L175 HydrophobicContact CG2-CD1 3.86Å; I68-V229 HydrophobicContact CD1-CG1 3.65Å; I68-V229 HydrophobicContact CG2-CG1 4.23Å
69S97.8Very high93.4Very high0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-105.7120.1-178.5-68.20000111.1V60 I173 L175V60-S69 WeakPolarHBondContact CG2-OG 3.45Å; S69-I173 PolarHBondContact N-O 2.86Å; S69-L175 PolarHBondContact O-N 2.68Å
70F97.1Very high93.8Very high0 Ų050.6 Ų50.60%026%0.256CS..EExtended strand (participates in β ladder)trans-108.297.2177.6-59-91.3000109.3I68 L72 T77 V78 V80 L175 K181 M188I68-F70 HydrophobicContact CB-CE2 3.88Å; I68-F70 HydrophobicContact CB-CZ 4.26Å; I68-F70 HydrophobicContact CG2-CD2 4.12Å; I68-F70 HydrophobicContact CG2-CE1 4.12Å; I68-F70 HydrophobicContact CG2-CE2 3.42Å; I68-F70 VanDerWaalsContact CG2-CE2 3.42Å; I68-F70 HydrophobicContact CG2-CZ 3.43Å; I68-F70 VanDerWaalsContact CG2-CZ 3.43Å; F70-L72 PolarHBondContact O-N 2.77Å; F70-T77 WeakPolarHBondContact O-CA 3.14Å; F70-V78 HydrophobicContact CB-CB 4.37Å; F70-V78 PolarHBondContact N-O 2.86Å; F70-V78 PolarHBondContact O-N 2.97Å; F70-V80 HydrophobicContact CD2-CG2 4.2Å; F70-V80 HydrophobicContact CE2-CB 4.42Å; F70-V80 HydrophobicContact CE2-CG2 3.77Å; F70-L175 HydrophobicContact CD1-CB 4.16Å; F70-L175 HydrophobicContact CD1-CD1 4.18Å; F70-L175 HydrophobicContact CD1-CD2 4.05Å; F70-L175 HydrophobicContact CD1-CG 4.37Å; F70-L175 HydrophobicContact CE1-CD1 3.98Å; F70-L175 HydrophobicContact CE1-CD2 3.97Å; F70-L175 HydrophobicContact CE1-CG 4.45Å; F70-K181 HydrophobicContact CB-CD 4.12Å; F70-K181 HydrophobicContact CD1-CB 4.13Å; F70-K181 HydrophobicContact CD1-CD 4.32Å; F70-M188 HydrophobicContact CB-CB 4.29Å; F70-M188 HydrophobicContact CB-CE 4.01Å; F70-M188 HydrophobicContact CB-CG 4.24Å; F70-M188 HydrophobicContact CD1-CB 3.85Å; F70-M188 HydrophobicContact CD1-CE 4.37Å; F70-M188 HydrophobicContact CD2-CB 3.45Å; F70-M188 VanDerWaalsContact CD2-CB 3.45Å; F70-M188 HydrophobicContact CD2-CG 4.03Å; F70-M188 HydrophobicContact CE1-CB 3.93Å; F70-M188 HydrophobicContact CE2-CB 3.55Å; F70-M188 HydrophobicContact CG-CB 3.6Å; F70-M188 HydrophobicContact CG-CE 4.29Å; F70-M188 HydrophobicContact CG-CG 4.08Å; F70-M188 HydrophobicContact CZ-CB 3.78Å
71T96.7Very high94Very high26 Ų2651.8 Ų51.816%0.1626%0.261CS..EExtended strand (participates in β ladder)trans-81.2102.2-178-57.80000110.4S73 T77 L175 E177 K181T71-S73 WeakPolarHBondContact CG2-O 3.47Å; T71-T77 PolarHBondContact OG1-OG1 3.11Å; T71-L175 PolarHBondContact N-O 3.37Å; T71-E177 HydrophobicContact CG2-CG 3.59Å; T71-E177 WeakPolarHBondContact O-CA 3.35Å; T71-K181 WeakPolarHBondContact O-CE 3.2Å; T71-K181 PolarHBondContact O-NZ 2.81Å; T71-K181 VanDerWaalsContact O-NZ 3.17Å
72L93.9Very high94.4Very high81 Ų8147.9 Ų47.942%0.42424%0.236SC..EExtended strand (participates in β ladder)trans-76.8-35.8-178.2-56.2-175.5000112.2F70 V76 V78 K181 M188F70-L72 PolarHBondContact O-N 2.77Å; L72-V76 HydrophobicContact CB-CB 4.45Å; L72-V76 HydrophobicContact CB-CG1 4.41Å; L72-V76 HydrophobicContact CD1-CG1 4.09Å; L72-V76 PolarHBondContact N-O 2.84Å; L72-V78 HydrophobicContact CD1-CG2 3.79Å; L72-V78 HydrophobicContact CG-CG2 4.22Å; L72-K181 HydrophobicContact CD2-CD 4.36Å; L72-M188 HydrophobicContact CD2-CE 3.61Å
73S93.8Very high94.8Very high47 Ų4746.9 Ų46.933%0.32923%0.232SC..EExtended strand (participates in β ladder)trans-156176.2176.274.30000110.1T71 N75 V76T71-S73 WeakPolarHBondContact CG2-O 3.47Å; S73-N75 PolarHBondContact O-N 3.37Å; S73-N75 PolarHBondContact OG-N 2.83Å; S73-V76 PolarHBondContact N-O 3.4Å; S73-V76 VanDerWaalsContact N-O 3.15Å; S73-V76 PolarHBondContact O-N 3.18Å; S73-V76 PolarHBondContact OG-N 2.91Å
74R89.3Confident95.4Very high192 Ų19243.8 Ų43.873%0.72523%0.234SC*.THydrogen-bonded Turntrans-53.6-21.3175.9-65.8-179-179-176.20.6114.5E177R74-E177 WeakPolarHBondContact CA-OE1 3.26Å; R74-E177 VanDerWaalsContact CG-OE1 3.23Å; R74-E177 WeakPolarHBondContact CG-OE1 3.41Å; R74-E177 PolarHBondContact N-OE1 2.84Å
75N93Very high95.8Very high120 Ų12038.6 Ų38.664%0.64221%0.206SC*.THydrogen-bonded Turntrans-123.43-173.2-61.7-20.1000113.6P52 S73P52-N75 VanDerWaalsContact CA-O 3.28Å; P52-N75 WeakPolarHBondContact CA-O 3.17Å; P52-N75 CarbonylContact O-C 3.19Å; P52-N75 WeakPolarHBondContact O-CA 3.37Å; S73-N75 PolarHBondContact O-N 3.37Å; S73-N75 PolarHBondContact OG-N 2.83Å
76V95.4Very high96.1Very high56 Ų5641.5 Ų41.534%0.33923%0.225SC..EExtended strand (participates in β ladder)trans-141.7119.9179.3-176.80000110P52 L72 S73P52-V76 PolarHBondContact O-N 3.43Å; L72-V76 HydrophobicContact CB-CB 4.45Å; L72-V76 HydrophobicContact CB-CG1 4.41Å; L72-V76 HydrophobicContact CD1-CG1 4.09Å; L72-V76 PolarHBondContact N-O 2.84Å; S73-V76 PolarHBondContact N-O 3.4Å; S73-V76 VanDerWaalsContact N-O 3.15Å; S73-V76 PolarHBondContact O-N 3.18Å; S73-V76 PolarHBondContact OG-N 2.91Å
77T96.9Very high96.2Very high2 Ų247.3 Ų47.31%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-125.9129.8169.9-60.50000109V51 A54 F70 T71 V79V51-T77 PolarHBondContact N-O 3.36Å; V51-T77 PolarHBondContact O-N 2.83Å; V51-T77 VanDerWaalsContact O-O 3.12Å; A54-T77 HydrophobicContact CB-CG2 4.05Å; F70-T77 WeakPolarHBondContact O-CA 3.14Å; T71-T77 PolarHBondContact OG1-OG1 3.11Å; T77-V79 HydrophobicContact CG2-CG2 3.97Å
78V96.1Very high96.3Very high6 Ų647.8 Ų47.84%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-91124168.1-175.60000107.5V48 N49 K50 F70 L72 M188V48-V78 HydrophobicContact CG1-CG1 3.48Å; V48-V78 VanDerWaalsContact CG1-CG1 3.48Å; N49-V78 CarbonylContact O-C 3.43Å; N49-V78 WeakPolarHBondContact O-CA 3.46Å; K50-V78 HydrophobicContact CG-CG2 4.26Å; F70-V78 HydrophobicContact CB-CB 4.37Å; F70-V78 PolarHBondContact N-O 2.86Å; F70-V78 PolarHBondContact O-N 2.97Å; L72-V78 HydrophobicContact CD1-CG2 3.79Å; L72-V78 HydrophobicContact CG-CG2 4.22Å; V78-M188 HydrophobicContact CB-CG 3.88Å; V78-M188 HydrophobicContact CG1-CG 3.69Å; V78-M188 HydrophobicContact CG2-CG 4.2Å; V78-M188 HydrophobicContact CG2-SD 4.37Å
79V96.6Very high96.3Very high0 Ų047.8 Ų47.80%025%0.251CS..EExtended strand (participates in β ladder)trans-110.7119.8177.3-1800000107.8V48 N49 V51 V60 A67 I68 T77V48-V79 WeakPolarHBondContact CA-O 3.46Å; N49-V79 PolarHBondContact N-O 3.34Å; N49-V79 PolarHBondContact O-N 3.14Å; V51-V79 HydrophobicContact CG2-CG2 3.79Å; V60-V79 HydrophobicContact CG2-CG1 3.81Å; V60-V79 HydrophobicContact CG2-CG2 4.1Å; A67-V79 HydrophobicContact CB-CG1 4.15Å; I68-V79 WeakPolarHBondContact O-CA 3.39Å; T77-V79 HydrophobicContact CG2-CG2 3.97Å
80V96.4Very high96.4Very high1 Ų148.4 Ų48.41%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-98.5115171.7-177.20000107.2P45 V48 A67 I68 F70 Y82P45-V80 HydrophobicContact CB-CG1 4.36Å; V48-V80 HydrophobicContact CG1-CG2 4.28Å; V48-V80 HydrophobicContact CG2-CG1 4.29Å; V48-V80 HydrophobicContact CG2-CG2 4.13Å; A67-V80 WeakPolarHBondContact CA-O 3.25Å; I68-V80 PolarHBondContact N-O 2.82Å; I68-V80 PolarHBondContact O-N 3.12Å; F70-V80 HydrophobicContact CD2-CG2 4.2Å; F70-V80 HydrophobicContact CE2-CB 4.42Å; F70-V80 HydrophobicContact CE2-CG2 3.77Å; V80-Y82 HydrophobicContact CB-CE2 4.23Å; V80-Y82 HydrophobicContact CG1-CD2 4.12Å; V80-Y82 HydrophobicContact CG1-CE2 3.73Å
81E95.6Very high96.4Very high41 Ų4148.9 Ų48.919%0.19226%0.257CS..EExtended strand (participates in β ladder)trans-79138.4173.8-55.4-174-164.800108.7G46 P47 N49 A59G46-E81 CarbonylContact C-O 3.59Å; G46-E81 VanDerWaalsContact CA-O 3.22Å; G46-E81 WeakPolarHBondContact CA-O 3.4Å; G46-E81 PolarHBondContact N-O 3.2Å; P47-E81 PolarHBondContact O-N 2.99Å; N49-E81 PolarHBondContact ND2-OE1 3.35Å; A59-E81 HydrophobicContact CB-CB 4.48Å; A59-E81 VanDerWaalsContact CB-CD 3.49Å; A59-E81 HydrophobicContact CB-CG 3.5Å; A59-E81 VanDerWaalsContact CB-CG 3.5Å
82Y96.4Very high96.5Very high10 Ų1047.9 Ų47.94%0.03925%0.25CS..EExtended strand (participates in β ladder)trans-107.8136.7176.6-84.9-115.8000109V43 R44 P45 P66 I68 V80 F167V43-Y82 HydrophobicContact CB-CD1 4.03Å; V43-Y82 HydrophobicContact CG2-CD1 3.75Å; V43-Y82 HydrophobicContact CG2-CE1 4.49Å; R44-Y82 VanDerWaalsContact C-CD1 3.46Å; R44-Y82 WeakPolarHBondContact O-CA 3.36Å; P45-Y82 HydrophobicContact CG-CE1 4.02Å; P66-Y82 WeakPolarHBondContact O-CB 3.45Å; P66-Y82 PolarHBondContact O-N 3.46Å; I68-Y82 HydrophobicContact CB-CE2 4.19Å; I68-Y82 HydrophobicContact CD1-CD2 4.38Å; I68-Y82 HydrophobicContact CD1-CE1 4.44Å; I68-Y82 HydrophobicContact CD1-CE2 3.46Å; I68-Y82 VanDerWaalsContact CD1-CE2 3.46Å; I68-Y82 VanDerWaalsContact CD1-CZ 3.49Å; I68-Y82 VanDerWaalsContact CD1-OH 3.29Å; I68-Y82 WeakPolarHBondContact CD1-OH 3.31Å; I68-Y82 HydrophobicContact CG1-CD2 4.01Å; I68-Y82 HydrophobicContact CG1-CE2 3.46Å; I68-Y82 VanDerWaalsContact CG1-CE2 3.46Å; V80-Y82 HydrophobicContact CB-CE2 4.23Å; V80-Y82 HydrophobicContact CG1-CD2 4.12Å; V80-Y82 HydrophobicContact CG1-CE2 3.73Å; Y82-F167 HydrophobicContact CD1-CZ 4.36Å; Y82-F167 HydrophobicContact CG-CZ 4.39Å
83V96.7Very high96.7Very high41 Ų4144.1 Ų44.125%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-108.9152.9179.3-62.30000109.8V43 R44 D85V43-V83 WeakPolarHBondContact CA-O 3.49Å; R44-V83 HydrophobicContact CG-CG2 3.7Å; R44-V83 PolarHBondContact N-O 2.84Å; R44-V83 PolarHBondContact O-N 3.17Å; V83-D85 PolarHBondContact O-N 3.26Å
84P97.8Very high96.8Very high104 Ų10441.9 Ų41.968%0.67522%0.215SC*.EExtended strand (participates in β ladder)trans-55.2137.8175.5-26.435.2000112.3
85D98.4Very high97Very high31 Ų3137 Ų3717%0.16620%0.196CC..EExtended strand (participates in β ladder)trans-111.3105.9169.5-167.6-26.7000109.3G42 R44 V83 K87 V88G42-D85 PolarHBondContact O-N 3.27Å; R44-D85 HydrophobicContact CB-CB 4.31Å; R44-D85 HydrophobicContact CG-CB 4.19Å; V83-D85 PolarHBondContact O-N 3.26Å; D85-K87 PolarHBondContact O-N 3.21Å; D85-K87 VanDerWaalsContact O-N 3.11Å; D85-K87 WeakPolarHBondContact OD1-CB 3.38Å; D85-K87 PolarHBondContact OD1-N 3.18Å; D85-V88 HydrophobicContact CB-CB 4.31Å; D85-V88 HydrophobicContact CB-CG2 4.47Å; D85-V88 PolarHBondContact O-N 2.72Å
86P98.4Very high97.1Very high95 Ų9531.9 Ų31.962%0.61717%0.17SC*.THydrogen-bonded Turntrans-69.6-8.2-176.330.1-35.7000113.4A40 R154A40-P86 WeakPolarHBondContact CB-O 3.5Å; P86-R154 WeakPolarHBondContact O-CD 3.37Å
87K98.7Very high96.9Very high140 Ų14033 Ų3361%0.60918%0.177SC*.THydrogen-bonded Turntrans-97.8-0.8-177.8-60-175.9178.2-176.10113.4D85 R154D85-K87 PolarHBondContact O-N 3.21Å; D85-K87 VanDerWaalsContact O-N 3.11Å; D85-K87 WeakPolarHBondContact OD1-CB 3.38Å; D85-K87 PolarHBondContact OD1-N 3.18Å; K87-R154 WeakPolarHBondContact O-CB 3.44Å; K87-R154 WeakPolarHBondContact O-CG 3.31Å; K87-R154 PolarHBondContact O-N 3.22Å
88V98.8Very high96.7Very high10 Ų1035.3 Ų35.36%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-129.7141.6-170.5172.70000110.3G42 D85 H151 I152G42-V88 VanDerWaalsContact CA-O 3.25Å; G42-V88 WeakPolarHBondContact CA-O 3.18Å; G42-V88 PolarHBondContact N-O 3.43Å; D85-V88 HydrophobicContact CB-CB 4.31Å; D85-V88 HydrophobicContact CB-CG2 4.47Å; D85-V88 PolarHBondContact O-N 2.72Å; V88-H151 HydrophobicContact CG1-CB 3.57Å; V88-I152 WeakPolarHBondContact CA-O 3.17Å
89D98.8Very high96.5Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-102.9135.4161.5-69.2-18000109.3Y7 K36 R37 A40 N41 F91 H151 I152 R154Y7-D89 HydrophobicContact CE2-CB 4.25Å; Y7-D89 PolarHBondContact OH-OD2 2.94Å; K36-D89 VanDerWaalsContact CA-OD2 3.31Å; K36-D89 WeakPolarHBondContact CA-OD2 3.47Å; R37-D89 HydrophobicContact CG-CB 4.38Å; R37-D89 PolarHBondContact N-OD2 2.55Å; A40-D89 WeakPolarHBondContact CA-OD1 3.48Å; N41-D89 WeakPolarHBondContact OD1-CA 3.38Å; D89-F91 HydrophobicContact CB-CE2 3.9Å; D89-F91 HydrophobicContact CB-CZ 4.15Å; D89-H151 CarbonylContact O-C 3.53Å; D89-H151 WeakPolarHBondContact O-CA 3.01Å; D89-I152 PolarHBondContact N-O 3.03Å; D89-I152 PolarHBondContact O-N 2.79Å; D89-R154 WeakPolarHBondContact OD1-CD 3.45Å; D89-R154 IonicContact OD1-CZ 3.45Å; D89-R154 IonicContact OD1-NE 3.75Å; D89-R154 IonicContact OD1-NH1 3.77Å; D89-R154 PolarHBondContact OD1-NH1 3Å; D89-R154 IonicContact OD2-NH1 3.36Å; D89-R154 PolarHBondContact OD2-NH1 3.29Å; D89-R154 VanDerWaalsContact OD2-NH1 3.16Å
90M98.7Very high96.3Very high13 Ų1344 Ų446%0.06424%0.235CC..EExtended strand (participates in β ladder)trans-106.2136.6175.6-179.4-178.466.200110.2R37 N41 V43 Q92 R149 I150 F167R37-M90 PolarHBondContact NE-O 3.28Å; R37-M90 PolarHBondContact NH2-O 2.99Å; N41-M90 PolarHBondContact ND2-O 2.84Å; N41-M90 PolarHBondContact OD1-N 3.07Å; N41-M90 PolarHBondContact OD1-O 3.36Å; V43-M90 HydrophobicContact CG2-SD 4.24Å; M90-Q92 HydrophobicContact CE-CG 4.07Å; M90-Q92 HydrophobicContact CG-CG 4.26Å; M90-Q92 HydrophobicContact SD-CG 4.26Å; M90-R149 HydrophobicContact CG-CB 4.23Å; M90-R149 HydrophobicContact SD-CB 4.41Å; M90-I150 WeakPolarHBondContact CA-O 3.16Å; M90-F167 HydrophobicContact CE-CD2 4.23Å; M90-F167 HydrophobicContact SD-CD2 3.98Å; M90-F167 HydrophobicContact SD-CE2 3.97Å
91F98.7Very high96.3Very high10 Ų1044 Ų444%0.04423%0.234CC..EExtended strand (participates in β ladder)trans-123.1132.9171.4-56.7-87.3000109.9Y7 L34 F35 R37 D89 D102 R149 I150 I152Y7-F91 HydrophobicContact CD2-CE2 4.08Å; Y7-F91 HydrophobicContact CD2-CZ 4.17Å; Y7-F91 HydrophobicContact CE2-CE2 4.23Å; Y7-F91 HydrophobicContact CE2-CZ 4.28Å; L34-F91 HydrophobicContact CB-CE1 4.32Å; L34-F91 HydrophobicContact CB-CE2 4.35Å; L34-F91 HydrophobicContact CB-CZ 4.2Å; L34-F91 HydrophobicContact CD1-CB 4.36Å; L34-F91 HydrophobicContact CD1-CD2 3.99Å; L34-F91 HydrophobicContact CD1-CE2 4.47Å; L34-F91 HydrophobicContact CD1-CG 4.03Å; L34-F91 HydrophobicContact CD2-CB 4.44Å; L34-F91 HydrophobicContact CD2-CD1 3.81Å; L34-F91 HydrophobicContact CD2-CE1 4.23Å; L34-F91 HydrophobicContact CD2-CG 4.05Å; F35-F91 WeakPolarHBondContact O-CZ 3.43Å; R37-F91 HydrophobicContact CG-CZ 4.46Å; D89-F91 HydrophobicContact CB-CE2 3.9Å; D89-F91 HydrophobicContact CB-CZ 4.15Å; F91-D102 WeakPolarHBondContact CA-OD2 3.43Å; F91-D102 HydrophobicContact CB-CB 4.49Å; F91-D102 HydrophobicContact CD1-CB 4.43Å; F91-R149 CarbonylContact O-C 3.51Å; F91-R149 WeakPolarHBondContact O-CA 3.36Å; F91-I150 PolarHBondContact N-O 3.49Å; F91-I150 PolarHBondContact O-N 2.9Å; F91-I152 HydrophobicContact CD2-CD1 4.06Å; F91-I152 HydrophobicContact CD2-CG1 4.22Å; F91-I152 HydrophobicContact CE2-CD1 3.85Å; F91-I152 HydrophobicContact CE2-CG1 4.11Å
92Q98.3Very high96.3Very high6 Ų644.1 Ų44.13%0.02824%0.236CC..EExtended strand (participates in β ladder)trans-111.3136.1-176.6-56.1-164.690.500111.3M90 H100 I101 D102 F103 R149 F167M90-Q92 HydrophobicContact CE-CG 4.07Å; M90-Q92 HydrophobicContact CG-CG 4.26Å; M90-Q92 HydrophobicContact SD-CG 4.26Å; Q92-H100 PolarHBondContact NE2-CD2 3.03Å; Q92-H100 VanDerWaalsContact NE2-CD2 3.26Å; Q92-H100 PolarHBondContact NE2-O 3.42Å; Q92-I101 HydrophobicContact CB-CD1 3.83Å; Q92-D102 PolarHBondContact N-OD2 3.47Å; Q92-D102 PolarHBondContact O-N 3.28Å; Q92-F103 PolarHBondContact O-N 3.2Å; Q92-F103 VanDerWaalsContact O-N 3.16Å; Q92-R149 HydrophobicContact CG-CB 4.39Å; Q92-F167 PolarHBondContact OE1-O 3.02Å
93I98Very high96.3Very high2 Ų243.7 Ų43.71%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-127.6136.5-174-55.894.5000108.6L10 F103 V105 A147 C148 I150 L261 L266L10-I93 HydrophobicContact CD1-CD1 4.23Å; L10-I93 HydrophobicContact CD1-CG1 4.03Å; I93-F103 WeakPolarHBondContact CA-O 3.2Å; I93-F103 HydrophobicContact CB-CB 4.48Å; I93-F103 HydrophobicContact CG1-CB 3.95Å; I93-F103 HydrophobicContact CG2-CB 4.22Å; I93-F103 HydrophobicContact CG2-CD1 4.24Å; I93-V105 HydrophobicContact CG2-CG1 3.81Å; I93-V105 HydrophobicContact CG2-CG2 3.97Å; I93-A147 WeakPolarHBondContact O-CA 3.3Å; I93-A147 WeakPolarHBondContact O-CB 3.33Å; I93-A147 PolarHBondContact O-N 2.99Å; I93-C148 PolarHBondContact N-O 2.87Å; I93-C148 PolarHBondContact O-N 3.37Å; I93-C148 VanDerWaalsContact O-N 3.11Å; I93-I150 HydrophobicContact CD1-CD1 4.02Å; I93-I150 HydrophobicContact CD1-CG1 3.93Å; I93-L261 HydrophobicContact CG2-CD1 3.97Å; I93-L266 HydrophobicContact CG2-CD1 4.06Å
94G96.3Very high96.2Very high0 Ų041.9 Ų41.90%022%0.223CC..EExtended strand (participates in β ladder)trans172.4-178.9176.600000112.4S96 F103 V104 V105 R145G94-S96 VanDerWaalsContact C-N 3.34Å; G94-F103 PolarHBondContact N-O 3.22Å; G94-V104 WeakPolarHBondContact O-CA 3.15Å; G94-V105 PolarHBondContact O-N 3.01Å; G94-R145 CarbonylContact C-O 3.5Å; G94-R145 WeakPolarHBondContact CA-O 3.39Å
95R93.5Very high95.9Very high88 Ų8837 Ų3733%0.33219%0.192SC..SBendtrans-80.5-10.9178.570.5167.4176.8-138.911.6114.6V105 S141 V143 S144 R145R95-V105 VanDerWaalsContact CA-O 3.32Å; R95-V105 WeakPolarHBondContact CA-O 3.36Å; R95-V105 WeakPolarHBondContact CB-O 3.45Å; R95-S141 PolarHBondContact NH1-O 2.7Å; R95-V143 WeakPolarHBondContact CD-O 3.27Å; R95-V143 WeakPolarHBondContact CG-O 3.49Å; R95-V143 PolarHBondContact NE-O 3.34Å; R95-V143 PolarHBondContact NH1-O 2.87Å; R95-S144 PolarHBondContact N-O 2.9Å; R95-S144 VanDerWaalsContact N-O 3.09Å; R95-R145 VanDerWaalsContact CG-CA 3.5Å; R95-R145 HydrophobicContact CG-CB 4.33Å; R95-R145 HydrophobicContact CG-CG 3.98Å; R95-R145 PolarHBondContact N-O 2.71Å; R95-R145 VanDerWaalsContact NE-CG 3.32Å
96S93.6Very high95.3Very high13 Ų1336.9 Ų36.99%0.09119%0.193CC..  trans-69.4139.9179.7-162.20000110.3G94 D98 R145G94-S96 VanDerWaalsContact C-N 3.34Å; S96-D98 VanDerWaalsContact C-N 3.26Å; S96-D98 PolarHBondContact OG-N 2.87Å; S96-D98 PolarHBondContact OG-OD2 3.27Å; S96-R145 WeakPolarHBondContact CB-O 3.34Å; S96-R145 PolarHBondContact N-O 3.33Å
97T91.4Very high94.6Very high79 Ų7933 Ų3349%0.48517%0.167SC..  trans-89.57.4173.353.10000112.5R27 V104R27-T97 VanDerWaalsContact CZ-O 3.27Å; R27-T97 PolarHBondContact NH1-O 3.01Å; R27-T97 PolarHBondContact NH2-O 2.78Å; T97-V104 HydrophobicContact CG2-CG1 4.08Å
98D92.7Very high93.6Very high52 Ų5226.8 Ų26.828%0.27814%0.141SC..  trans-54.4146.1174.8-68-38.6000111.1R27 S96 H100 I101 F146R27-D98 PolarHBondContact NH1-O 2.76Å; R27-D98 VanDerWaalsContact NH1-O 3.08Å; S96-D98 VanDerWaalsContact C-N 3.26Å; S96-D98 PolarHBondContact OG-N 2.87Å; S96-D98 PolarHBondContact OG-OD2 3.27Å; D98-H100 WeakPolarHBondContact CB-CE1 3.16Å; D98-H100 PolarHBondContact O-N 3.21Å; D98-H100 VanDerWaalsContact O-N 3.08Å; D98-H100 IonicContact OD2-CE1 3.08Å; D98-I101 PolarHBondContact O-N 3.26Å; D98-F146 WeakPolarHBondContact OD2-CE1 3.31Å; D98-F146 WeakPolarHBondContact OD2-CZ 3.44Å
99N91.8Very high92.3Very high147 Ų14732.2 Ų32.279%0.78616%0.164SC*.THydrogen-bonded Turntrans-63.7-18.7-171.8-68.5-13.8000114.8
100H93.3Very high90.4Very high42 Ų4236.8 Ų36.819%0.19419%0.194CC..THydrogen-bonded Turntrans-86.7-7.7178.768.3-91.9000113.5Q92 D98 F146 F167 D168 A169Q92-H100 PolarHBondContact NE2-CD2 3.03Å; Q92-H100 VanDerWaalsContact NE2-CD2 3.26Å; Q92-H100 PolarHBondContact NE2-O 3.42Å; D98-H100 WeakPolarHBondContact CB-CE1 3.16Å; D98-H100 PolarHBondContact O-N 3.21Å; D98-H100 VanDerWaalsContact O-N 3.08Å; D98-H100 IonicContact OD2-CE1 3.08Å; H100-F146 AromaticContact CE1-CE1 3.55Å; H100-F146 AromaticContact NE2-CD1 3.41Å; H100-F146 WeakPolarHBondContact NE2-CD1 3.27Å; H100-F146 AromaticContact NE2-CE1 3.29Å; H100-F146 VanDerWaalsContact NE2-CE1 3.29Å; H100-F146 WeakPolarHBondContact NE2-CE1 3.24Å; H100-F167 PolarHBondContact CD2-O 3.43Å; H100-F167 PolarHBondContact NE2-O 2.9Å; H100-D168 VanDerWaalsContact CE1-C 3.42Å; H100-A169 VanDerWaalsContact CE1-CA 3.41Å; H100-A169 WeakPolarHBondContact CE1-CA 3.48Å; H100-A169 PolarHBondContact CE1-N 3.37Å
101I95.8Very high88Confident1 Ų139.8 Ų39.81%0.00522%0.215CC..  trans-82.6115.7170.8-64.2-56.3000107.9Q92 D98 F103 V104 F146Q92-I101 HydrophobicContact CB-CD1 3.83Å; D98-I101 PolarHBondContact O-N 3.26Å; I101-F103 WeakPolarHBondContact CG2-O 3.28Å; I101-V104 HydrophobicContact CB-CG2 4.48Å; I101-V104 HydrophobicContact CG2-CG2 3.88Å; I101-F146 HydrophobicContact CD1-CD1 3.84Å; I101-F146 HydrophobicContact CG1-CD1 4.35Å
102D96.2Very high85Confident43 Ų4343.5 Ų43.523%0.2324%0.239CC..SBendtrans-75.7-41.1179.5-61-79.2000111.1I32 R37 F91 Q92I32-D102 HydrophobicContact CD1-CB 4.34Å; I32-D102 WeakPolarHBondContact CD1-O 3.31Å; R37-D102 IonicContact CZ-OD1 3.73Å; R37-D102 IonicContact NH1-OD1 3.32Å; R37-D102 IonicContact NH2-OD1 2.96Å; R37-D102 PolarHBondContact NH2-OD1 3.11Å; R37-D102 IonicContact NH2-OD2 3.21Å; R37-D102 PolarHBondContact NH2-OD2 2.88Å; F91-D102 WeakPolarHBondContact CA-OD2 3.43Å; F91-D102 HydrophobicContact CB-CB 4.49Å; F91-D102 HydrophobicContact CD1-CB 4.43Å; Q92-D102 PolarHBondContact N-OD2 3.47Å; Q92-D102 PolarHBondContact O-N 3.28Å
103F96Very high82.1Confident1 Ų146.7 Ų46.70%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-120.8102.9178.5-166-159.4000111.6L10 I12 T29 I32 Q92 I93 G94 I101 V105 L266L10-F103 HydrophobicContact CB-CD1 4.08Å; L10-F103 HydrophobicContact CB-CE1 3.88Å; L10-F103 HydrophobicContact CD1-CD1 4.05Å; I12-F103 HydrophobicContact CD1-CE1 4.28Å; I12-F103 HydrophobicContact CD1-CE2 4.07Å; I12-F103 HydrophobicContact CD1-CZ 3.55Å; I12-F103 HydrophobicContact CG1-CE1 3.97Å; I12-F103 HydrophobicContact CG1-CZ 3.6Å; T29-F103 WeakPolarHBondContact O-CE2 3.47Å; I32-F103 HydrophobicContact CB-CB 4.49Å; I32-F103 HydrophobicContact CB-CD1 4.46Å; I32-F103 HydrophobicContact CB-CD2 4Å; I32-F103 HydrophobicContact CB-CE2 4.29Å; I32-F103 HydrophobicContact CB-CG 4.09Å; I32-F103 HydrophobicContact CD1-CB 4.13Å; I32-F103 HydrophobicContact CG2-CB 3.85Å; I32-F103 HydrophobicContact CG2-CD1 3.52Å; I32-F103 HydrophobicContact CG2-CD2 3.92Å; I32-F103 HydrophobicContact CG2-CE1 3.93Å; I32-F103 HydrophobicContact CG2-CE2 4.31Å; I32-F103 HydrophobicContact CG2-CG 3.5Å; I32-F103 VanDerWaalsContact CG2-CG 3.5Å; I32-F103 HydrophobicContact CG2-CZ 4.3Å; Q92-F103 PolarHBondContact O-N 3.2Å; Q92-F103 VanDerWaalsContact O-N 3.16Å; I93-F103 WeakPolarHBondContact CA-O 3.2Å; I93-F103 HydrophobicContact CB-CB 4.48Å; I93-F103 HydrophobicContact CG1-CB 3.95Å; I93-F103 HydrophobicContact CG2-CB 4.22Å; I93-F103 HydrophobicContact CG2-CD1 4.24Å; G94-F103 PolarHBondContact N-O 3.22Å; I101-F103 WeakPolarHBondContact CG2-O 3.28Å; F103-V105 HydrophobicContact CD1-CG1 3.67Å; F103-V105 HydrophobicContact CD2-CG1 4.21Å; F103-V105 HydrophobicContact CE1-CG1 3.79Å; F103-V105 HydrophobicContact CE2-CG1 4.3Å; F103-V105 HydrophobicContact CG-CG1 3.92Å; F103-V105 HydrophobicContact CZ-CG1 4.11Å; F103-V105 PolarHBondContact O-N 3.19Å; F103-L266 HydrophobicContact CE1-CD2 4.02Å
104V94.2Very high79.1Confident2 Ų253.2 Ų53.21%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-81.2112.8176.9-171.80000108.5R27 H28 G94 T97 I101R27-V104 HydrophobicContact CB-CG2 4.11Å; H28-V104 VanDerWaalsContact CE1-CG1 3.46Å; H28-V104 WeakPolarHBondContact CE1-CG1 3.43Å; H28-V104 WeakPolarHBondContact NE2-CG1 3.34Å; G94-V104 WeakPolarHBondContact O-CA 3.15Å; T97-V104 HydrophobicContact CG2-CG1 4.08Å; I101-V104 HydrophobicContact CB-CG2 4.48Å; I101-V104 HydrophobicContact CG2-CG2 3.88Å
105V92Very high76.2Confident1 Ų158.1 Ų58.11%0.00632%0.318CS..  trans-109.7136.3-176.5-64.40000111I12 I93 G94 R95 F103 V143 L261 V264 L266I12-V105 HydrophobicContact CD1-CB 4.5Å; I12-V105 HydrophobicContact CD1-CG1 4.07Å; I12-V105 HydrophobicContact CG1-CG1 4.37Å; I93-V105 HydrophobicContact CG2-CG1 3.81Å; I93-V105 HydrophobicContact CG2-CG2 3.97Å; G94-V105 PolarHBondContact O-N 3.01Å; R95-V105 VanDerWaalsContact CA-O 3.32Å; R95-V105 WeakPolarHBondContact CA-O 3.36Å; R95-V105 WeakPolarHBondContact CB-O 3.45Å; F103-V105 HydrophobicContact CD1-CG1 3.67Å; F103-V105 HydrophobicContact CD2-CG1 4.21Å; F103-V105 HydrophobicContact CE1-CG1 3.79Å; F103-V105 HydrophobicContact CE2-CG1 4.3Å; F103-V105 HydrophobicContact CG-CG1 3.92Å; F103-V105 HydrophobicContact CZ-CG1 4.11Å; F103-V105 PolarHBondContact O-N 3.19Å; V105-V143 HydrophobicContact CG2-CG1 3.98Å; V105-L261 HydrophobicContact CG2-CD1 4.31Å; V105-V264 HydrophobicContact CB-CG1 4.14Å; V105-V264 HydrophobicContact CB-CG2 4.43Å; V105-V264 HydrophobicContact CG1-CG1 4.47Å; V105-L266 HydrophobicContact CG1-CD2 4.21Å
106S87.1Confident73.3Confident29 Ų2959.7 Ų59.720%0.20333%0.333CS..  trans-130.3150.2173.354.60000109.6F22 V264F22-S106 WeakPolarHBondContact CE2-OG 3.24Å; S106-V264 VanDerWaalsContact C-CG2 3.47Å; S106-V264 WeakPolarHBondContact O-CG2 3.31Å
107E82.6Confident70.4Confident15 Ų1564.9 Ų64.97%0.0736%0.356CS..PPolyproline II helixtrans-58.8129.7179.4-68.7-177.3-146.800111K109 Y139 S141 A142 V143 V264 R432E107-K109 PolarHBondContact O-N 2.94Å; E107-Y139 HydrophobicContact CB-CE1 4.26Å; E107-Y139 WeakPolarHBondContact OE2-CE1 3.37Å; E107-Y139 VanDerWaalsContact OE2-CZ 3.26Å; E107-Y139 PolarHBondContact OE2-OH 2.93Å; E107-S141 VanDerWaalsContact OE1-C 3.28Å; E107-S141 WeakPolarHBondContact OE1-CA 3.14Å; E107-S141 VanDerWaalsContact OE1-CB 3.26Å; E107-S141 WeakPolarHBondContact OE1-CB 3.35Å; E107-S141 PolarHBondContact OE1-OG 3.37Å; E107-A142 PolarHBondContact OE1-N 3.33Å; E107-V143 HydrophobicContact CG-CG2 3.88Å; E107-V264 HydrophobicContact CG-CG2 4.15Å; E107-R432 IonicContact OE2-CZ 2.93Å; E107-R432 IonicContact OE2-NH1 2.64Å; E107-R432 PolarHBondContact OE2-NH1 2.8Å
108P78.6Confident67.5Low9 Ų968.8 Ų68.86%0.05837%0.369CS..PPolyproline II helixtrans-58.6127.1168.8-23.533.5000108.6I12 L13 L15 R432 L445I12-P108 HydrophobicContact CG2-CG 4.04Å; L13-P108 WeakPolarHBondContact O-CG 3.48Å; L15-P108 HydrophobicContact CD2-CB 3.97Å; L15-P108 HydrophobicContact CD2-CG 4.15Å; L15-P108 HydrophobicContact CG-CG 4.39Å; P108-R432 PolarHBondContact O-NH2 2.93Å; P108-L445 HydrophobicContact CB-CD1 4.06Å; P108-L445 HydrophobicContact CG-CD1 3.89Å
109K71Confident64.4Low124 Ų12474.5 Ų74.554%0.53939%0.394SS..PPolyproline II helixtrans-61.2133.5171.7-66.2-178.8-172171.80107.7E21 E107 S111E21-K109 IonicContact OE2-NZ 3.68Å; E21-K109 PolarHBondContact OE2-NZ 3.4Å; E107-K109 PolarHBondContact O-N 2.94Å; K109-S111 PolarHBondContact O-N 2.99Å
110P57.6Low61.5Low96 Ų9674 Ų7462%0.62339%0.39SS*.PPolyproline II helixtrans-57133.4173.422.9-30.6000109V112P110-V112 VanDerWaalsContact C-N 3.26Å; P110-V112 PolarHBondContact O-N 2.92Å
111S49Very low58.4Low75 Ų7579.1 Ų79.152%0.52442%0.419SS..  trans-64.993.2164.456.90000107K109 S113K109-S111 PolarHBondContact O-N 2.99Å; S111-S113 PolarHBondContact O-N 3.34Å
112V36.8Very low55.3Low89 Ų8986.2 Ų86.254%0.53946%0.456SS..  trans-63.3110.5172.7-174.10000105.9P110 E114 Q117P110-V112 VanDerWaalsContact C-N 3.26Å; P110-V112 PolarHBondContact O-N 2.92Å; V112-E114 PolarHBondContact O-N 3.25Å; V112-Q117 HydrophobicContact CG1-CG 4.35Å
113S37.5Very low52.1Low72 Ų7291.6 Ų91.650%0.50349%0.485SS..  trans-72.3115.9166.1-59.80000105.2S111 N115 D116S111-S113 PolarHBondContact O-N 3.34Å; S113-N115 PolarHBondContact O-N 2.96Å; S113-D116 PolarHBondContact O-N 2.88Å
114E34.8Very low49Very low139 Ų13999.6 Ų99.665%0.6553%0.528SS*.G310 helixtrans-55.6-16.3-178-82.1-173.1152.200114.2V112 D116 Q117 Q118V112-E114 PolarHBondContact O-N 3.25Å; E114-D116 PolarHBondContact O-N 3.49Å; E114-D116 VanDerWaalsContact O-N 3.14Å; E114-Q117 PolarHBondContact O-N 3.47Å; E114-Q118 PolarHBondContact O-N 2.91Å
115N34.7Very low46Very low103 Ų103108.5 Ų108.555%0.55157%0.567SS**G310 helixtrans-56.7-26170.8-73.1-13.9000113.3S113S113-N115 PolarHBondContact O-N 2.96Å
116D33.4Very low42.8Very low121 Ų121116.9 Ų116.965%0.64761%0.606SS**G310 helixtrans-82.3-18.4175.9-70.8-25.5000113.1S113 E114S113-D116 PolarHBondContact O-N 2.88Å; E114-D116 PolarHBondContact O-N 3.49Å; E114-D116 VanDerWaalsContact O-N 3.14Å
117Q31.2Very low40Very low122 Ų122121.4 Ų121.457%0.5764%0.636SS**THydrogen-bonded Turntrans-81.5-28.9174.4-72.1-171.221.500112.6V112 E114 H119 I120V112-Q117 HydrophobicContact CG1-CG 4.35Å; E114-Q117 PolarHBondContact O-N 3.47Å; Q117-H119 PolarHBondContact O-N 3.37Å; Q117-I120 PolarHBondContact O-N 3.27Å
118Q30.4Very low37.3Very low162 Ų162129.7 Ų129.776%0.75767%0.672SS**THydrogen-bonded Turntrans-67.8-16.9176.9-74.5-170.13.600113.4E114E114-Q118 PolarHBondContact O-N 2.91Å
119H28.4Very low34.9Very low172 Ų172135.8 Ų135.880%0.79670%0.704SS**THydrogen-bonded Turntrans-82.9-7.5177.5-120.4-65.7000114.9Q117Q117-H119 PolarHBondContact O-N 3.37Å
120I30.4Very low32.9Very low137 Ų137136.5 Ų136.570%0.70371%0.713SS**THydrogen-bonded Turntrans-92.9-18.2179.8-58.8-177.7000112.1Q117 N122Q117-I120 PolarHBondContact O-N 3.27Å; I120-N122 PolarHBondContact O-N 2.93Å
121N29.2Very low31.5Very low149 Ų149137.6 Ų137.680%0.79772%0.723SS**THydrogen-bonded Turntrans-86.710.2-169.6-1218000116.7
122N29.3Very low30.5Very low149 Ų149143.3 Ų143.380%0.79774%0.739SS**THydrogen-bonded Turntrans-120.99.2-178.2-105.8-4.2000116.9I120I120-N122 PolarHBondContact O-N 2.93Å
123N30.9Very low30.2Very low156 Ų156145.4 Ų145.483%0.83475%0.747SS**  trans-113.278.9170.6-78.3-24.6000111.1K125N123-K125 VanDerWaalsContact C-N 3.27Å; N123-K125 PolarHBondContact O-N 3.43Å
124N29.3Very low30Very low170 Ų170147.9 Ų147.991%0.90976%0.764SS**  trans-56.486.4161.5-88.8-26.3000110.4
125K31.3Very low30.2Very low189 Ų189145.7 Ų145.782%0.82276%0.764SS**  trans-131.779.9162.1-102.4-177.7179.11770109.6N123 C127N123-K125 VanDerWaalsContact C-N 3.27Å; N123-K125 PolarHBondContact O-N 3.43Å; K125-C127 PolarHBondContact O-N 3.33Å
126Q25.3Very low30.3Very low176 Ų176151.2 Ų151.282%0.82278%0.777SS**  trans-1.782.5147.2-153.8159.134.300116.4
127C28Very low30.6Very low124 Ų124148.6 Ų148.684%0.83878%0.779SS**  trans-109.498.6158-67.20000107.6K125 D129K125-C127 PolarHBondContact O-N 3.33Å; C127-D129 PolarHBondContact O-N 2.85Å
128K25.1Very low31.1Very low189 Ų189150 Ų15082%0.82279%0.791SS**  trans-69.6103.2167.8-76175.7173.5176.30107.8
129D30.2Very low32.2Very low138 Ų138148.4 Ų148.474%0.73878%0.779SS**  trans-148.6110.7157.2-126.1-25.1000112C127C127-D129 PolarHBondContact O-N 2.85Å
130N27.7Very low34Very low138 Ų138147.7 Ų147.774%0.73878%0.776SS**  trans34.898.7149.6-65.7-46.6000119K132N130-K132 PolarHBondContact O-N 3.46Å
131S28.7Very low36.2Very low119 Ų119142.5 Ų142.583%0.83275%0.751SS**  trans-15.487.9145.5570000116.4
132K28.4Very low38.8Very low196 Ų196136.6 Ų136.685%0.85272%0.724SS**  trans-143.389.7151.1-79.3-170.2179.5173.30108.2N130 S134N130-K132 PolarHBondContact O-N 3.46Å; K132-S134 PolarHBondContact O-N 3.31Å
133D30.5Very low41.7Very low132 Ų132129.5 Ų129.571%0.70669%0.686SS**  trans31.873.8151.2-151.7-2.6000115.8S135D133-S135 PolarHBondContact O-N 2.72Å; D133-S135 VanDerWaalsContact O-N 3.12Å; D133-S135 PolarHBondContact OD1-OG 3.08Å
134S33Very low44.6Very low124 Ų124123.9 Ų123.987%0.86766%0.659SS**THydrogen-bonded Turntrans-72.98.9177.445.80000113.8K132K132-S134 PolarHBondContact O-N 3.31Å
135S38.5Very low47.8Very low93 Ų93122.4 Ų122.465%0.6564%0.64SS**THydrogen-bonded Turntrans-87.9-10-176.171.80000114.6D133D133-S135 PolarHBondContact O-N 2.72Å; D133-S135 VanDerWaalsContact O-N 3.12Å; D133-S135 PolarHBondContact OD1-OG 3.08Å
136R37.8Very low50.9Low219 Ų219114.7 Ų114.783%0.82661%0.607SS**  trans-127.767.5171.9-77.9-179.6171.7164.6-1.8110N138R136-N138 PolarHBondContact O-N 3.01Å
137G39.7Very low54.4Low67 Ų67106.5 Ų106.569%0.69157%0.569SS**  trans-45112.615700000106.7Y139G137-Y139 PolarHBondContact O-N 3.39Å
138N41.9Very low57.7Low152 Ų152100.6 Ų100.681%0.81353%0.529SS*.  trans-66.384.4-169.8-170.322.6000107.3R136 E140R136-N138 PolarHBondContact O-N 3.01Å; N138-E140 PolarHBondContact O-N 3.05Å
139Y52.8Low61.2Low127 Ų12791.7 Ų91.750%0.49849%0.49SS..  trans-71.986.5-176.2-169.5-86.7000106.8E107 G137 S141E107-Y139 HydrophobicContact CB-CE1 4.26Å; E107-Y139 WeakPolarHBondContact OE2-CE1 3.37Å; E107-Y139 VanDerWaalsContact OE2-CZ 3.26Å; E107-Y139 PolarHBondContact OE2-OH 2.93Å; G137-Y139 PolarHBondContact O-N 3.39Å; Y139-S141 PolarHBondContact O-N 3.09Å
140E66.3Low64.5Low158 Ų15885.1 Ų85.174%0.73846%0.455SS*.  trans-74.6108.7174.2-167.6174.5-173.200107.9N138 A142N138-E140 PolarHBondContact O-N 3.05Å; E140-A142 PolarHBondContact O-N 2.88Å
141S76.3Confident67.9Low27 Ų2779.1 Ų79.119%0.18942%0.423CS..  trans-55.5137.3176.61750000110.6R95 E107 Y139 V143R95-S141 PolarHBondContact NH1-O 2.7Å; E107-S141 VanDerWaalsContact OE1-C 3.28Å; E107-S141 WeakPolarHBondContact OE1-CA 3.14Å; E107-S141 VanDerWaalsContact OE1-CB 3.26Å; E107-S141 WeakPolarHBondContact OE1-CB 3.35Å; E107-S141 PolarHBondContact OE1-OG 3.37Å; Y139-S141 PolarHBondContact O-N 3.09Å; S141-V143 VanDerWaalsContact C-N 3.34Å; S141-V143 PolarHBondContact OG-N 3.41Å
142A83.8Confident71.2Confident26 Ų2673.4 Ų73.422%0.21538%0.383CS..  trans-80.7-17173.600000112.6E107 E140 S144 N194 C262E107-A142 PolarHBondContact OE1-N 3.33Å; E140-A142 PolarHBondContact O-N 2.88Å; A142-S144 PolarHBondContact O-N 2.94Å; A142-N194 PolarHBondContact O-ND2 2.86Å; A142-C262 CarbonylContact C-O 3.51Å; A142-C262 WeakPolarHBondContact CB-O 3.47Å
143V89.3Confident74.6Confident0 Ų065.9 Ų65.90%035%0.352CS..SBendtrans-71.1126.1178.5-177.60000110.5R95 V105 E107 S141 A147 L261 C262 V264R95-V143 WeakPolarHBondContact CD-O 3.27Å; R95-V143 WeakPolarHBondContact CG-O 3.49Å; R95-V143 PolarHBondContact NE-O 3.34Å; R95-V143 PolarHBondContact NH1-O 2.87Å; V105-V143 HydrophobicContact CG2-CG1 3.98Å; E107-V143 HydrophobicContact CG-CG2 3.88Å; S141-V143 VanDerWaalsContact C-N 3.34Å; S141-V143 PolarHBondContact OG-N 3.41Å; V143-A147 HydrophobicContact CG1-CB 4.31Å; V143-L261 HydrophobicContact CG1-CB 4.29Å; V143-C262 WeakPolarHBondContact CG2-O 3.32Å; V143-C262 PolarHBondContact N-O 2.81Å; V143-V264 HydrophobicContact CG2-CB 3.9Å; V143-V264 HydrophobicContact CG2-CG2 3.66Å
144S93.6Very high77.8Confident38 Ų3861.2 Ų61.227%0.26633%0.325SS..  trans-60.7146.8179.4-71.10000113.2R95 A142 F146R95-S144 PolarHBondContact N-O 2.9Å; R95-S144 VanDerWaalsContact N-O 3.09Å; A142-S144 PolarHBondContact O-N 2.94Å; S144-F146 PolarHBondContact O-N 3.26Å
145R94.9Very high80.9Confident138 Ų13859.9 Ų59.952%0.52131%0.308SS..THydrogen-bonded Turntrans-55.1-41.7174.4-71.6-165.4-62.4137.1-0112.7G94 R95 S96G94-R145 CarbonylContact C-O 3.5Å; G94-R145 WeakPolarHBondContact CA-O 3.39Å; R95-R145 VanDerWaalsContact CG-CA 3.5Å; R95-R145 HydrophobicContact CG-CB 4.33Å; R95-R145 HydrophobicContact CG-CG 3.98Å; R95-R145 PolarHBondContact N-O 2.71Å; R95-R145 VanDerWaalsContact NE-CG 3.32Å; S96-R145 WeakPolarHBondContact CB-O 3.34Å; S96-R145 PolarHBondContact N-O 3.33Å
146F97.3Very high83.6Confident28 Ų2860 Ų6012%0.12331%0.307CS..THydrogen-bonded Turntrans-125.581.1177.1-43.4-75.9000106.4D98 H100 I101 S144 A165 G166 F167 D168D98-F146 WeakPolarHBondContact OD2-CE1 3.31Å; D98-F146 WeakPolarHBondContact OD2-CZ 3.44Å; H100-F146 AromaticContact CE1-CE1 3.55Å; H100-F146 AromaticContact NE2-CD1 3.41Å; H100-F146 WeakPolarHBondContact NE2-CD1 3.27Å; H100-F146 AromaticContact NE2-CE1 3.29Å; H100-F146 VanDerWaalsContact NE2-CE1 3.29Å; H100-F146 WeakPolarHBondContact NE2-CE1 3.24Å; I101-F146 HydrophobicContact CD1-CD1 3.84Å; I101-F146 HydrophobicContact CG1-CD1 4.35Å; S144-F146 PolarHBondContact O-N 3.26Å; F146-A165 WeakPolarHBondContact O-CA 3.32Å; F146-G166 WeakPolarHBondContact CB-O 3.49Å; F146-G166 PolarHBondContact O-N 3.18Å; F146-F167 WeakPolarHBondContact CD1-O 2.93Å; F146-D168 HydrophobicContact CD2-CB 3.98Å; F146-D168 HydrophobicContact CE1-CB 4.19Å; F146-D168 HydrophobicContact CE2-CB 3.51Å; F146-D168 HydrophobicContact CG-CB 4.49Å; F146-D168 HydrophobicContact CZ-CB 3.65Å
147A97.6Very high86.3Confident3 Ų354.9 Ų54.93%0.02530%0.302CS..  trans-77.4-49.9-163.300000112.9I93 V143 A165 V196 L261I93-A147 WeakPolarHBondContact O-CA 3.3Å; I93-A147 WeakPolarHBondContact O-CB 3.33Å; I93-A147 PolarHBondContact O-N 2.99Å; V143-A147 HydrophobicContact CG1-CB 4.31Å; A147-A165 VanDerWaalsContact O-CA 3.26Å; A147-A165 WeakPolarHBondContact O-CA 3.42Å; A147-A165 PolarHBondContact O-N 3.12Å; A147-V196 WeakPolarHBondContact O-CG2 3.28Å; A147-L261 HydrophobicContact CB-CB 4.45Å; A147-L261 HydrophobicContact CB-CD1 4.02Å; A147-L261 HydrophobicContact CB-CD2 4.24Å; A147-L261 HydrophobicContact CB-CG 4.48Å
148C98.8Very high89Confident1 Ų154.8 Ų54.81%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-152.9171.7178.967.70000110.9I93 L162 Y163 V196 L261I93-C148 PolarHBondContact N-O 2.87Å; I93-C148 PolarHBondContact O-N 3.37Å; I93-C148 VanDerWaalsContact O-N 3.11Å; C148-L162 HydrophobicContact CB-CD1 3.93Å; C148-Y163 WeakPolarHBondContact CA-O 3.28Å; C148-Y163 VanDerWaalsContact CB-O 3.26Å; C148-Y163 WeakPolarHBondContact CB-O 3.31Å; C148-V196 HydrophobicContact CB-CG1 4.13Å; C148-V196 HydrophobicContact CB-CG2 4.19Å; C148-L261 HydrophobicContact CB-CD2 4.14Å
149R98.6Very high91.7Very high1 Ų148.8 Ų48.80%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-132.8146.5169.362.2-169-176.1-80.82.6110M90 F91 Q92 Y163 A164 A165 V229M90-R149 HydrophobicContact CG-CB 4.23Å; M90-R149 HydrophobicContact SD-CB 4.41Å; F91-R149 CarbonylContact O-C 3.51Å; F91-R149 WeakPolarHBondContact O-CA 3.36Å; Q92-R149 HydrophobicContact CG-CB 4.39Å; R149-Y163 HydrophobicContact CG-CD2 4.44Å; R149-Y163 HydrophobicContact CG-CG 4.34Å; R149-Y163 PolarHBondContact N-O 3.43Å; R149-Y163 PolarHBondContact O-N 3.25Å; R149-A164 PolarHBondContact NH1-O 3.43Å; R149-A165 PolarHBondContact NH1-O 3.25Å; R149-V229 PolarHBondContact NH1-O 3.3Å; R149-V229 PolarHBondContact NH2-O 3.27Å
150I98.9Very high93.9Very high1 Ų142.9 Ų42.91%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-114.1122.6174.1-62176.6000107.7L10 M90 F91 I93 I152 A160 R161 L162 L253 I259L10-I150 HydrophobicContact CD1-CD1 3.77Å; L10-I150 HydrophobicContact CD2-CD1 4.02Å; L10-I150 HydrophobicContact CG-CD1 4.29Å; M90-I150 WeakPolarHBondContact CA-O 3.16Å; F91-I150 PolarHBondContact N-O 3.49Å; F91-I150 PolarHBondContact O-N 2.9Å; I93-I150 HydrophobicContact CD1-CD1 4.02Å; I93-I150 HydrophobicContact CD1-CG1 3.93Å; I150-I152 HydrophobicContact CG2-CD1 4.1Å; I150-I152 HydrophobicContact CG2-CG1 3.77Å; I150-A160 HydrophobicContact CG2-CB 4.13Å; I150-R161 CarbonylContact C-O 3.05Å; I150-R161 VanDerWaalsContact CA-O 3.3Å; I150-R161 WeakPolarHBondContact CA-O 3.24Å; I150-L162 HydrophobicContact CG1-CD1 4.12Å; I150-L253 HydrophobicContact CD1-CD1 3.71Å; I150-L253 HydrophobicContact CG1-CD1 4.05Å; I150-L253 HydrophobicContact CG2-CD1 4.02Å; I150-I259 HydrophobicContact CD1-CD1 4.45Å
151H98.8Very high95.5Very high11 Ų1138.2 Ų38.25%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-98.7130.9171.5-72-154.7000108.5V43 V88 D89 A160 R161 Y163V43-H151 PolarHBondContact O-CE1 3.39Å; V88-H151 HydrophobicContact CG1-CB 3.57Å; D89-H151 CarbonylContact O-C 3.53Å; D89-H151 WeakPolarHBondContact O-CA 3.01Å; H151-A160 CarbonylContact O-C 3.48Å; H151-A160 WeakPolarHBondContact O-CA 3.06Å; H151-R161 PolarHBondContact N-O 2.93Å; H151-R161 PolarHBondContact O-N 3.17Å; H151-Y163 HydrophobicContact CB-CD2 4.38Å; H151-Y163 HydrophobicContact CB-CE2 3.76Å; H151-Y163 AromaticContact CD2-CD2 3.96Å; H151-Y163 AromaticContact CG-CE2 3.68Å
152I98.8Very high96.5Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-123.1127.7178.6-48.8-172.3000109.3Y7 L34 V88 D89 F91 I150 R154 Y158 T159 A160 W268Y7-I152 HydrophobicContact CD1-CG2 3.73Å; Y7-I152 HydrophobicContact CD2-CB 4.08Å; Y7-I152 HydrophobicContact CD2-CD1 3.75Å; Y7-I152 HydrophobicContact CD2-CG1 4.45Å; Y7-I152 HydrophobicContact CD2-CG2 3.85Å; Y7-I152 HydrophobicContact CE1-CG2 3.89Å; Y7-I152 HydrophobicContact CE2-CB 4.08Å; Y7-I152 HydrophobicContact CE2-CG2 4Å; Y7-I152 HydrophobicContact CG-CB 4.41Å; Y7-I152 HydrophobicContact CG-CD1 3.97Å; Y7-I152 HydrophobicContact CG-CG2 3.7Å; L34-I152 HydrophobicContact CB-CD1 4.42Å; L34-I152 HydrophobicContact CD1-CD1 3.96Å; V88-I152 WeakPolarHBondContact CA-O 3.17Å; D89-I152 PolarHBondContact N-O 3.03Å; D89-I152 PolarHBondContact O-N 2.79Å; F91-I152 HydrophobicContact CD2-CD1 4.06Å; F91-I152 HydrophobicContact CD2-CG1 4.22Å; F91-I152 HydrophobicContact CE2-CD1 3.85Å; F91-I152 HydrophobicContact CE2-CG1 4.11Å; I150-I152 HydrophobicContact CG2-CD1 4.1Å; I150-I152 HydrophobicContact CG2-CG1 3.77Å; I152-R154 PolarHBondContact O-N 2.81Å; I152-Y158 WeakPolarHBondContact CG2-O 3.45Å; I152-T159 WeakPolarHBondContact CA-O 3.26Å; I152-A160 HydrophobicContact CD1-CB 4.13Å; I152-A160 HydrophobicContact CG1-CB 3.87Å; I152-A160 HydrophobicContact CG2-CB 4.48Å; I152-W268 HydrophobicContact CD1-CH2 3.98Å
153D98.7Very high97.3Very high37 Ų3737.7 Ų37.720%0.19819%0.191CC..EExtended strand (participates in β ladder)trans-60.4134.1175.4-63.9-21.3000109.7D155 Y158 T159 R161D153-D155 VanDerWaalsContact C-N 3.26Å; D153-D155 PolarHBondContact O-N 3.29Å; D153-Y158 WeakPolarHBondContact O-CA 3.39Å; D153-Y158 WeakPolarHBondContact O-CD1 3.25Å; D153-T159 PolarHBondContact N-O 3.31Å; D153-T159 VanDerWaalsContact OD2-CB 3.22Å; D153-T159 WeakPolarHBondContact OD2-CB 3.43Å; D153-T159 PolarHBondContact OD2-OG1 3.39Å; D153-R161 IonicContact OD1-CZ 3.95Å; D153-R161 IonicContact OD1-NH1 4Å; D153-R161 PolarHBondContact OD1-NH1 2.96Å; D153-R161 IonicContact OD1-NH2 2.79Å; D153-R161 IonicContact OD2-CZ 3.05Å; D153-R161 IonicContact OD2-NH1 3.82Å; D153-R161 PolarHBondContact OD2-NH1 2.94Å; D153-R161 IonicContact OD2-NH2 3.03Å; D153-R161 PolarHBondContact OD2-NH2 3.3Å
154R97.9Very high97.7Very high35 Ų3537.7 Ų37.713%0.13219%0.191CC..SBendtrans-74.8-18.5-179.6-74.3176.565.880.6-3.2113.5Y7 K36 R37 R38 P86 K87 D89 I152 Y158Y7-R154 WeakPolarHBondContact OH-CA 3.33Å; K36-R154 VanDerWaalsContact CE-CZ 3.45Å; K36-R154 WeakPolarHBondContact CE-O 3.33Å; K36-R154 PolarHBondContact NZ-O 3.23Å; R37-R154 PolarHBondContact O-NH1 3.06Å; R37-R154 PolarHBondContact O-NH2 2.83Å; R38-R154 PolarHBondContact O-NH2 3.44Å; P86-R154 WeakPolarHBondContact O-CD 3.37Å; K87-R154 WeakPolarHBondContact O-CB 3.44Å; K87-R154 WeakPolarHBondContact O-CG 3.31Å; K87-R154 PolarHBondContact O-N 3.22Å; D89-R154 WeakPolarHBondContact OD1-CD 3.45Å; D89-R154 IonicContact OD1-CZ 3.45Å; D89-R154 IonicContact OD1-NE 3.75Å; D89-R154 IonicContact OD1-NH1 3.77Å; D89-R154 PolarHBondContact OD1-NH1 3Å; D89-R154 IonicContact OD2-NH1 3.36Å; D89-R154 PolarHBondContact OD2-NH1 3.29Å; D89-R154 VanDerWaalsContact OD2-NH1 3.16Å; I152-R154 PolarHBondContact O-N 2.81Å; R154-Y158 VanDerWaalsContact O-CE1 3.26Å; R154-Y158 WeakPolarHBondContact O-CE1 3.3Å
155D97.3Very high97.9Very high96 Ų9636.3 Ų36.351%0.51318%0.182SC..SBendtrans-106.4150.3178.8-60.9-35.2000110.2D153 Y158D153-D155 VanDerWaalsContact C-N 3.26Å; D153-D155 PolarHBondContact O-N 3.29Å; D155-Y158 VanDerWaalsContact C-CD1 3.4Å; D155-Y158 WeakPolarHBondContact O-CA 3.22Å; D155-Y158 WeakPolarHBondContact O-CD1 3.41Å; D155-Y158 PolarHBondContact O-N 3.05Å
156P95.4Very high98.1Very high96 Ų9629.9 Ų29.962%0.62316%0.159SC*.THydrogen-bonded Turntrans-51.4142.5174.7-2633.9000112.1Y158P156-Y158 VanDerWaalsContact C-N 3.29Å; P156-Y158 VanDerWaalsContact CA-N 3.32Å; P156-Y158 HydrophobicContact CB-CE2 4.49Å; P156-Y158 HydrophobicContact CG-CE1 3.97Å; P156-Y158 HydrophobicContact CG-CE2 4.13Å
157P95.8Very high98.1Very high111 Ų11128.6 Ų28.672%0.72115%0.154SC*.THydrogen-bonded Turncis-85.616.210.335.8-36.9000114.5
158Y96.6Very high98.1Very high64 Ų6429.9 Ų29.925%0.25116%0.16SC..  trans60.849.9-177.7-44.8-60.9000112.8V5 Y7 I152 D153 R154 D155 P156 A160V5-Y158 HydrophobicContact CG1-CD1 4.43Å; V5-Y158 HydrophobicContact CG1-CD2 4.4Å; V5-Y158 HydrophobicContact CG1-CE1 3.89Å; V5-Y158 HydrophobicContact CG1-CE2 3.86Å; Y7-Y158 HydrophobicContact CD1-CD1 4.23Å; Y7-Y158 AromaticContact CD1-CG 3.92Å; Y7-Y158 HydrophobicContact CD1-CG 3.92Å; Y7-Y158 AromaticContact CE1-CD1 3.59Å; Y7-Y158 HydrophobicContact CE1-CD1 3.59Å; Y7-Y158 HydrophobicContact CE1-CE1 4.31Å; Y7-Y158 AromaticContact CE1-CG 3.76Å; Y7-Y158 HydrophobicContact CE1-CG 3.76Å; I152-Y158 WeakPolarHBondContact CG2-O 3.45Å; D153-Y158 WeakPolarHBondContact O-CA 3.39Å; D153-Y158 WeakPolarHBondContact O-CD1 3.25Å; R154-Y158 VanDerWaalsContact O-CE1 3.26Å; R154-Y158 WeakPolarHBondContact O-CE1 3.3Å; D155-Y158 VanDerWaalsContact C-CD1 3.4Å; D155-Y158 WeakPolarHBondContact O-CA 3.22Å; D155-Y158 WeakPolarHBondContact O-CD1 3.41Å; D155-Y158 PolarHBondContact O-N 3.05Å; P156-Y158 VanDerWaalsContact C-N 3.29Å; P156-Y158 VanDerWaalsContact CA-N 3.32Å; P156-Y158 HydrophobicContact CB-CE2 4.49Å; P156-Y158 HydrophobicContact CG-CE1 3.97Å; P156-Y158 HydrophobicContact CG-CE2 4.13Å; Y158-A160 PolarHBondContact O-N 2.87Å
159T98.5Very high97.9Very high27 Ų2732.6 Ų32.617%0.16618%0.183CC..  trans-61.1122.2-176.9-43.70000111I152 D153 R161 I252I152-T159 WeakPolarHBondContact CA-O 3.26Å; D153-T159 PolarHBondContact N-O 3.31Å; D153-T159 VanDerWaalsContact OD2-CB 3.22Å; D153-T159 WeakPolarHBondContact OD2-CB 3.43Å; D153-T159 PolarHBondContact OD2-OG1 3.39Å; T159-R161 HydrophobicContact CG2-CG 4.5Å; T159-I252 HydrophobicContact CG2-CB 4.32Å; T159-I252 HydrophobicContact CG2-CD1 3.79Å; T159-I252 HydrophobicContact CG2-CG1 3.78Å; T159-I252 HydrophobicContact CG2-CG2 3.62Å
160A98.9Very high97.7Very high3 Ų334.3 Ų34.33%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-93.9134.9174.400000110.8I150 H151 I152 Y158 I252 L253 W268I150-A160 HydrophobicContact CG2-CB 4.13Å; H151-A160 CarbonylContact O-C 3.48Å; H151-A160 WeakPolarHBondContact O-CA 3.06Å; I152-A160 HydrophobicContact CD1-CB 4.13Å; I152-A160 HydrophobicContact CG1-CB 3.87Å; I152-A160 HydrophobicContact CG2-CB 4.48Å; Y158-A160 PolarHBondContact O-N 2.87Å; A160-I252 CarbonylContact O-C 3.58Å; A160-I252 WeakPolarHBondContact O-CA 3.28Å; A160-L253 HydrophobicContact CB-CB 4.13Å; A160-L253 HydrophobicContact CB-CD1 4.3Å; A160-L253 PolarHBondContact O-N 2.7Å; A160-W268 HydrophobicContact CB-CH2 4.32Å; A160-W268 HydrophobicContact CB-CZ2 3.72Å
161R98.8Very high97.6Very high60 Ų6036.5 Ų36.523%0.22621%0.206CC..EExtended strand (participates in β ladder)trans-129.8135.4-178.5-68.5-179.3-165.580.3-0.1110.9I150 H151 D153 T159 Y163 N251 I252I150-R161 CarbonylContact C-O 3.05Å; I150-R161 VanDerWaalsContact CA-O 3.3Å; I150-R161 WeakPolarHBondContact CA-O 3.24Å; H151-R161 PolarHBondContact N-O 2.93Å; H151-R161 PolarHBondContact O-N 3.17Å; D153-R161 IonicContact OD1-CZ 3.95Å; D153-R161 IonicContact OD1-NH1 4Å; D153-R161 PolarHBondContact OD1-NH1 2.96Å; D153-R161 IonicContact OD1-NH2 2.79Å; D153-R161 IonicContact OD2-CZ 3.05Å; D153-R161 IonicContact OD2-NH1 3.82Å; D153-R161 PolarHBondContact OD2-NH1 2.94Å; D153-R161 IonicContact OD2-NH2 3.03Å; D153-R161 PolarHBondContact OD2-NH2 3.3Å; T159-R161 HydrophobicContact CG2-CG 4.5Å; R161-Y163 HydrophobicContact CB-CE2 3.67Å; R161-N251 WeakPolarHBondContact CA-O 3.42Å; R161-I252 HydrophobicContact CG-CG1 4.02Å
162L98.9Very high97.5Very high0 Ų036.3 Ų36.30%021%0.206CC..EExtended strand (participates in β ladder)trans-92.3139.8-180-176.161.3000111.4C148 I150 V196 M198 V227 N251 L253 I259C148-L162 HydrophobicContact CB-CD1 3.93Å; I150-L162 HydrophobicContact CG1-CD1 4.12Å; L162-V196 HydrophobicContact CD1-CG1 4.31Å; L162-V196 HydrophobicContact CD2-CG1 3.85Å; L162-V196 HydrophobicContact CG-CG1 4.21Å; L162-M198 HydrophobicContact CD2-CB 4.08Å; L162-V227 HydrophobicContact CD2-CG2 4.06Å; L162-V227 HydrophobicContact CG-CG2 4.45Å; L162-V227 VanDerWaalsContact O-CG1 3.31Å; L162-V227 WeakPolarHBondContact O-CG1 3.11Å; L162-N251 PolarHBondContact N-O 3.01Å; L162-N251 PolarHBondContact O-ND2 3.19Å; L162-L253 HydrophobicContact CB-CD2 3.93Å; L162-L253 HydrophobicContact CB-CG 4.27Å; L162-L253 HydrophobicContact CD2-CD2 4.34Å; L162-I259 HydrophobicContact CD1-CD1 4.21Å; L162-I259 HydrophobicContact CD1-CG2 4.43Å; L162-I259 HydrophobicContact CD2-CD1 4.23Å; L162-I259 HydrophobicContact CD2-CG1 4.08Å; L162-I259 HydrophobicContact CD2-CG2 3.92Å
163Y98.8Very high97.5Very high41 Ų4136.7 Ų36.716%0.16121%0.208CC..EExtended strand (participates in β ladder)trans-135.4138.8172.2-58.6-102.7000109.1C148 R149 H151 R161 C230C148-Y163 WeakPolarHBondContact CA-O 3.28Å; C148-Y163 VanDerWaalsContact CB-O 3.26Å; C148-Y163 WeakPolarHBondContact CB-O 3.31Å; R149-Y163 HydrophobicContact CG-CD2 4.44Å; R149-Y163 HydrophobicContact CG-CG 4.34Å; R149-Y163 PolarHBondContact N-O 3.43Å; R149-Y163 PolarHBondContact O-N 3.25Å; H151-Y163 HydrophobicContact CB-CD2 4.38Å; H151-Y163 HydrophobicContact CB-CE2 3.76Å; H151-Y163 AromaticContact CD2-CD2 3.96Å; H151-Y163 AromaticContact CG-CE2 3.68Å; R161-Y163 HydrophobicContact CB-CE2 3.67Å; Y163-C230 WeakPolarHBondContact CE1-O 3.37Å
164A98.4Very high97.4Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-74.5150.7175.700000111.7R149 T192 V196 V227 S228 V229R149-A164 PolarHBondContact NH1-O 3.43Å; A164-T192 HydrophobicContact CB-CG2 3.83Å; A164-V196 HydrophobicContact CB-CB 3.91Å; A164-V196 HydrophobicContact CB-CG2 3.8Å; A164-V227 WeakPolarHBondContact CB-O 3.5Å; A164-S228 PolarHBondContact N-O 2.91Å; A164-V229 HydrophobicContact CB-CG2 4.38Å; A164-V229 WeakPolarHBondContact O-CA 3.29Å
165A98.4Very high97.3Very high9 Ų938.7 Ų38.77%0.07422%0.216CC..  trans64.5139.9-170.700000114.5F146 A147 R149 I173 T192 V229F146-A165 WeakPolarHBondContact O-CA 3.32Å; A147-A165 VanDerWaalsContact O-CA 3.26Å; A147-A165 WeakPolarHBondContact O-CA 3.42Å; A147-A165 PolarHBondContact O-N 3.12Å; R149-A165 PolarHBondContact NH1-O 3.25Å; A165-I173 HydrophobicContact CB-CD1 4.12Å; A165-I173 HydrophobicContact CB-CG1 4.43Å; A165-I173 HydrophobicContact CB-CG2 3.84Å; A165-T192 HydrophobicContact CB-CG2 3.89Å; A165-V229 HydrophobicContact CB-CG2 4.25Å
166G97.9Very high97.1Very high4 Ų435.9 Ų35.94%0.04121%0.209CC..  trans-97.6158.2161.100000110F146 I173F146-G166 WeakPolarHBondContact CB-O 3.49Å; F146-G166 PolarHBondContact O-N 3.18Å; G166-I173 WeakPolarHBondContact O-CG1 3.43Å
167F98.3Very high96.9Very high1 Ų135.9 Ų35.90%0.00420%0.201CC..  trans-68.6145.1167.1-64-83.1000110V43 P66 I68 Y82 M90 Q92 H100 F146 N171 I173V43-F167 HydrophobicContact CG2-CE2 3.83Å; V43-F167 HydrophobicContact CG2-CZ 4.09Å; P66-F167 HydrophobicContact CB-CD1 4.16Å; P66-F167 HydrophobicContact CB-CE1 3.78Å; P66-F167 HydrophobicContact CB-CZ 4.02Å; I68-F167 HydrophobicContact CG1-CE1 4.16Å; Y82-F167 HydrophobicContact CD1-CZ 4.36Å; Y82-F167 HydrophobicContact CG-CZ 4.39Å; M90-F167 HydrophobicContact CE-CD2 4.23Å; M90-F167 HydrophobicContact SD-CD2 3.98Å; M90-F167 HydrophobicContact SD-CE2 3.97Å; Q92-F167 PolarHBondContact OE1-O 3.02Å; H100-F167 PolarHBondContact CD2-O 3.43Å; H100-F167 PolarHBondContact NE2-O 2.9Å; F146-F167 WeakPolarHBondContact CD1-O 2.93Å; F167-N171 VanDerWaalsContact CD1-O 3.24Å; F167-N171 WeakPolarHBondContact CD1-O 3.2Å; F167-I173 HydrophobicContact CD1-CD1 3.9Å; F167-I173 HydrophobicContact CD1-CG1 3.68Å; F167-I173 HydrophobicContact CD2-CD1 4.33Å; F167-I173 HydrophobicContact CE1-CD1 3.87Å; F167-I173 HydrophobicContact CE1-CG1 4.02Å; F167-I173 HydrophobicContact CE2-CD1 4.3Å; F167-I173 HydrophobicContact CG-CD1 4.14Å; F167-I173 HydrophobicContact CG-CG1 4.09Å; F167-I173 HydrophobicContact CZ-CD1 4.08Å
168D96.6Very high96.6Very high30 Ų3042.5 Ų42.516%0.1621%0.212CC..  trans-75.9-178.7172.370.814.7000112.5H100 F146 S170 N171 N172H100-D168 VanDerWaalsContact CE1-C 3.42Å; F146-D168 HydrophobicContact CD2-CB 3.98Å; F146-D168 HydrophobicContact CE1-CB 4.19Å; F146-D168 HydrophobicContact CE2-CB 3.51Å; F146-D168 HydrophobicContact CG-CB 4.49Å; F146-D168 HydrophobicContact CZ-CB 3.65Å; D168-S170 PolarHBondContact O-N 2.92Å; D168-S170 VanDerWaalsContact OD1-C 3.26Å; D168-S170 VanDerWaalsContact OD1-CA 3.28Å; D168-S170 WeakPolarHBondContact OD1-CA 3.39Å; D168-S170 WeakPolarHBondContact OD1-CB 3.47Å; D168-S170 PolarHBondContact OD1-N 3.46Å; D168-N171 WeakPolarHBondContact O-CA 3.01Å; D168-N171 PolarHBondContact O-N 3.44Å; D168-N171 PolarHBondContact OD1-N 2.87Å; D168-N171 VanDerWaalsContact OD1-N 3.16Å; D168-N172 PolarHBondContact N-O 2.9Å; D168-N172 PolarHBondContact OD1-N 3.1Å
169A94.6Very high96.4Very high58 Ų5840.5 Ų40.548%0.47921%0.208SC..THydrogen-bonded Turntrans-63.9-10.6178.800000114.4H100H100-A169 VanDerWaalsContact CE1-CA 3.41Å; H100-A169 WeakPolarHBondContact CE1-CA 3.48Å; H100-A169 PolarHBondContact CE1-N 3.37Å
170S95.3Very high96.1Very high36 Ų3640.5 Ų40.525%0.25221%0.207SC..THydrogen-bonded Turntrans-104.215.3172.6-59.80000112.2D168 N172D168-S170 PolarHBondContact O-N 2.92Å; D168-S170 VanDerWaalsContact OD1-C 3.26Å; D168-S170 VanDerWaalsContact OD1-CA 3.28Å; D168-S170 WeakPolarHBondContact OD1-CA 3.39Å; D168-S170 WeakPolarHBondContact OD1-CB 3.47Å; D168-S170 PolarHBondContact OD1-N 3.46Å; S170-N172 VanDerWaalsContact C-N 3.34Å; S170-N172 PolarHBondContact O-N 3.06Å; S170-N172 PolarHBondContact O-ND2 3.24Å
171N96.5Very high95.8Very high47 Ų4742.1 Ų42.125%0.25121%0.214SC..SBendtrans61.632.8-177.8-70.5-41000114.6R63 P66 A67 F167 D168R63-N171 PolarHBondContact O-ND2 2.79Å; P66-N171 CarbonylContact C-O 3.58Å; P66-N171 WeakPolarHBondContact CA-O 3.39Å; P66-N171 HydrophobicContact CB-CB 4.21Å; P66-N171 HydrophobicContact CG-CB 4.14Å; A67-N171 PolarHBondContact N-O 3.09Å; F167-N171 VanDerWaalsContact CD1-O 3.24Å; F167-N171 WeakPolarHBondContact CD1-O 3.2Å; D168-N171 WeakPolarHBondContact O-CA 3.01Å; D168-N171 PolarHBondContact O-N 3.44Å; D168-N171 PolarHBondContact OD1-N 2.87Å; D168-N171 VanDerWaalsContact OD1-N 3.16Å
172N97.9Very high95.5Very high7 Ų742 Ų424%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-116.6147.8-179.5-72.2-77.6000113.6V60 A67 D168 S170 F174V60-N172 PolarHBondContact O-ND2 3.25Å; A67-N172 WeakPolarHBondContact O-CA 3.5Å; D168-N172 PolarHBondContact N-O 2.9Å; D168-N172 PolarHBondContact OD1-N 3.1Å; S170-N172 VanDerWaalsContact C-N 3.34Å; S170-N172 PolarHBondContact O-N 3.06Å; S170-N172 PolarHBondContact O-ND2 3.24Å; N172-F174 HydrophobicContact CB-CD2 4.12Å; N172-F174 HydrophobicContact CB-CE1 4.41Å; N172-F174 HydrophobicContact CB-CE2 3.32Å; N172-F174 HydrophobicContact CB-CZ 3.49Å; N172-F174 VanDerWaalsContact CB-CZ 3.49Å
173I98.2Very high95.1Very high9 Ų949.4 Ų49.45%0.04625%0.245CC..EExtended strand (participates in β ladder)trans-120.3130.3163.4-61.4172.8000108.3A67 I68 S69 A165 G166 F167 L175 V229A67-I173 PolarHBondContact O-N 2.92Å; I68-I173 WeakPolarHBondContact CA-O 3.38Å; I68-I173 HydrophobicContact CB-CB 4.4Å; I68-I173 HydrophobicContact CD1-CB 4.48Å; I68-I173 HydrophobicContact CD1-CD1 3.92Å; I68-I173 HydrophobicContact CG1-CB 4.04Å; I68-I173 HydrophobicContact CG1-CD1 4.17Å; I68-I173 HydrophobicContact CG1-CG1 4.48Å; I68-I173 HydrophobicContact CG2-CB 4.06Å; I68-I173 HydrophobicContact CG2-CG2 4.07Å; S69-I173 PolarHBondContact N-O 2.86Å; A165-I173 HydrophobicContact CB-CD1 4.12Å; A165-I173 HydrophobicContact CB-CG1 4.43Å; A165-I173 HydrophobicContact CB-CG2 3.84Å; G166-I173 WeakPolarHBondContact O-CG1 3.43Å; F167-I173 HydrophobicContact CD1-CD1 3.9Å; F167-I173 HydrophobicContact CD1-CG1 3.68Å; F167-I173 HydrophobicContact CD2-CD1 4.33Å; F167-I173 HydrophobicContact CE1-CD1 3.87Å; F167-I173 HydrophobicContact CE1-CG1 4.02Å; F167-I173 HydrophobicContact CE2-CD1 4.3Å; F167-I173 HydrophobicContact CG-CD1 4.14Å; F167-I173 HydrophobicContact CG-CG1 4.09Å; F167-I173 HydrophobicContact CZ-CD1 4.08Å; I173-L175 HydrophobicContact CG2-CD1 3.88Å; I173-V229 HydrophobicContact CD1-CG1 4.36Å; I173-V229 HydrophobicContact CG2-CG1 4.13Å
174F96.9Very high94.4Very high107 Ų10749.6 Ų49.647%0.46925%0.252SS..EExtended strand (participates in β ladder)trans-118.6121.2-179-62.1-80.4000111.9A54 V60 N172A54-F174 HydrophobicContact CB-CD1 4.3Å; A54-F174 HydrophobicContact CB-CE1 3.9Å; V60-F174 HydrophobicContact CG1-CE1 3.96Å; V60-F174 HydrophobicContact CG1-CZ 3.95Å; N172-F174 HydrophobicContact CB-CD2 4.12Å; N172-F174 HydrophobicContact CB-CE1 4.41Å; N172-F174 HydrophobicContact CB-CE2 3.32Å; N172-F174 HydrophobicContact CB-CZ 3.49Å; N172-F174 VanDerWaalsContact CB-CZ 3.49Å
175L96.1Very high93.4Very high7 Ų756.7 Ų56.74%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-106.497.1167.9-73.686.2000107.9I68 S69 F70 T71 I173 A179 K181 V229I68-L175 HydrophobicContact CG2-CD1 3.86Å; S69-L175 PolarHBondContact O-N 2.68Å; F70-L175 HydrophobicContact CD1-CB 4.16Å; F70-L175 HydrophobicContact CD1-CD1 4.18Å; F70-L175 HydrophobicContact CD1-CD2 4.05Å; F70-L175 HydrophobicContact CD1-CG 4.37Å; F70-L175 HydrophobicContact CE1-CD1 3.98Å; F70-L175 HydrophobicContact CE1-CD2 3.97Å; F70-L175 HydrophobicContact CE1-CG 4.45Å; T71-L175 PolarHBondContact N-O 3.37Å; I173-L175 HydrophobicContact CG2-CD1 3.88Å; L175-A179 HydrophobicContact CB-CB 3.84Å; L175-A179 HydrophobicContact CD2-CB 4.41Å; L175-A179 HydrophobicContact CG-CB 4.31Å; L175-K181 HydrophobicContact CB-CD 4.31Å; L175-K181 HydrophobicContact CD2-CB 4.31Å; L175-V229 HydrophobicContact CD1-CG1 4.39Å; L175-V229 HydrophobicContact CD1-CG2 4.22Å; L175-V229 HydrophobicContact CD2-CG2 4.31Å
176G93.3Very high92.4Very high36 Ų3663.5 Ų63.537%0.37133%0.325SS..  trans-65.5177.2-178.700000113.7R178 A179 K181G176-R178 PolarHBondContact O-N 3.5Å; G176-R178 VanDerWaalsContact O-N 3.09Å; G176-A179 WeakPolarHBondContact O-CB 3.27Å; G176-A179 PolarHBondContact O-N 3.22Å; G176-K181 PolarHBondContact O-NZ 2.97Å
177E90.8Very high91.9Very high97 Ų9764.9 Ų64.945%0.45333%0.334SS..THydrogen-bonded Turntrans-50.7-40.1-174.8-70.1178.6-148.500113.6T71 R74 K181T71-E177 HydrophobicContact CG2-CG 3.59Å; T71-E177 WeakPolarHBondContact O-CA 3.35Å; R74-E177 WeakPolarHBondContact CA-OE1 3.26Å; R74-E177 VanDerWaalsContact CG-OE1 3.23Å; R74-E177 WeakPolarHBondContact CG-OE1 3.41Å; R74-E177 PolarHBondContact N-OE1 2.84Å; E177-K181 PolarHBondContact O-NZ 3.29Å
178R89.9Confident91.7Very high250 Ų25065.4 Ų65.494%0.94334%0.337SS*.THydrogen-bonded Turntrans-85.2-8.7-179.1-62.2-178.2178.1-179.2-1.8115G176G176-R178 PolarHBondContact O-N 3.5Å; G176-R178 VanDerWaalsContact O-N 3.09Å
179A91.9Very high91.7Very high21 Ų2164 Ų6417%0.17433%0.329CS..SBendtrans-69.8140.3177.800000110.3L175 G176 K181L175-A179 HydrophobicContact CB-CB 3.84Å; L175-A179 HydrophobicContact CD2-CB 4.41Å; L175-A179 HydrophobicContact CG-CB 4.31Å; G176-A179 WeakPolarHBondContact O-CB 3.27Å; G176-A179 PolarHBondContact O-N 3.22Å; A179-K181 PolarHBondContact O-N 2.87Å; A179-K181 PolarHBondContact O-NZ 3.45Å
180I91.7Very high91.7Very high28 Ų2861.3 Ų61.314%0.14431%0.307CS..  trans-67121.7175-55.5174000107.8W182 G190 L191 P243I180-W182 HydrophobicContact CG2-CE3 4.12Å; I180-W182 HydrophobicContact CG2-CZ3 3.79Å; I180-G190 CarbonylContact O-C 3.47Å; I180-G190 WeakPolarHBondContact O-CA 3.43Å; I180-L191 HydrophobicContact CB-CB 4.3Å; I180-L191 HydrophobicContact CD1-CD1 4.4Å; I180-L191 HydrophobicContact CG2-CD1 4.32Å; I180-L191 HydrophobicContact CG2-CG 4.47Å; I180-L191 PolarHBondContact O-N 3.27Å; I180-P243 HydrophobicContact CG2-CB 3.81Å; I180-P243 HydrophobicContact CG2-CG 4.39Å
181K92.8Very high91.7Very high37 Ų3759.7 Ų59.716%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-159.5151.8-178.360.8-165.9171.7-79.20110.5F70 T71 L72 L175 G176 E177 A179 M188 D189F70-K181 HydrophobicContact CB-CD 4.12Å; F70-K181 HydrophobicContact CD1-CB 4.13Å; F70-K181 HydrophobicContact CD1-CD 4.32Å; T71-K181 WeakPolarHBondContact O-CE 3.2Å; T71-K181 PolarHBondContact O-NZ 2.81Å; T71-K181 VanDerWaalsContact O-NZ 3.17Å; L72-K181 HydrophobicContact CD2-CD 4.36Å; L175-K181 HydrophobicContact CB-CD 4.31Å; L175-K181 HydrophobicContact CD2-CB 4.31Å; G176-K181 PolarHBondContact O-NZ 2.97Å; E177-K181 PolarHBondContact O-NZ 3.29Å; A179-K181 PolarHBondContact O-N 2.87Å; A179-K181 PolarHBondContact O-NZ 3.45Å; K181-M188 HydrophobicContact CB-CE 4.35Å; K181-M188 HydrophobicContact CG-CE 4.34Å; K181-D189 CarbonylContact C-O 3.55Å; K181-D189 WeakPolarHBondContact CA-O 3.2Å; K181-D189 VanDerWaalsContact CB-O 3.24Å; K181-D189 WeakPolarHBondContact CB-O 3.16Å
182W92.4Very high91.5Very high57 Ų5758.5 Ų58.522%0.21629%0.29CS..EExtended strand (participates in β ladder)trans-147.4163.4-17855.787.6000110.1I180 C184 M188 D189 L191 Y234I180-W182 HydrophobicContact CG2-CE3 4.12Å; I180-W182 HydrophobicContact CG2-CZ3 3.79Å; W182-C184 PolarHBondContact NE1-SG 2.9Å; W182-M188 WeakPolarHBondContact O-CA 3.33Å; W182-M188 WeakPolarHBondContact O-CE 3.28Å; W182-D189 HydrophobicContact CZ2-CB 3.91Å; W182-D189 PolarHBondContact N-O 3.45Å; W182-D189 PolarHBondContact O-N 3.41Å; W182-L191 HydrophobicContact CH2-CD1 4.47Å; W182-L191 HydrophobicContact CH2-CD2 3.84Å; W182-L191 HydrophobicContact CH2-CG 3.76Å; W182-L191 HydrophobicContact CZ3-CD1 4.38Å; W182-L191 HydrophobicContact CZ3-CD2 4.46Å; W182-L191 HydrophobicContact CZ3-CG 3.88Å; W182-Y234 AromaticContact CE2-CZ 3.96Å; W182-Y234 VanDerWaalsContact CE2-OH 3.26Å; W182-Y234 HydrophobicContact CH2-CE1 4.21Å; W182-Y234 AromaticContact CH2-CE2 3.83Å; W182-Y234 HydrophobicContact CH2-CE2 3.83Å; W182-Y234 AromaticContact CH2-CZ 3.7Å; W182-Y234 HydrophobicContact CZ2-CE1 4.07Å; W182-Y234 AromaticContact CZ2-CE2 3.57Å; W182-Y234 HydrophobicContact CZ2-CE2 3.57Å; W182-Y234 AromaticContact CZ2-CZ 3.25Å; W182-Y234 WeakPolarHBondContact CZ2-OH 3.49Å; W182-Y234 PolarHBondContact NE1-OH 3.07Å
183K90.6Very high91.1Very high156 Ų15663.2 Ų63.268%0.67832%0.319SS*.EExtended strand (participates in β ladder)trans-81.5133.3174.5-170.7-176176-163.20109.1D185 M188K183-D185 VanDerWaalsContact CE-O 3.24Å; K183-D185 WeakPolarHBondContact CE-O 3.46Å; K183-M188 HydrophobicContact CB-SD 4.11Å; K183-M188 HydrophobicContact CG-SD 4.43Å
184C84.5Confident90.6Very high44 Ų4464.4 Ų64.430%0.29733%0.325SS..EExtended strand (participates in β ladder)trans-122111.1174.2-73.30000108.3W182 N186 S187W182-C184 PolarHBondContact NE1-SG 2.9Å; C184-N186 PolarHBondContact O-N 3.37Å; C184-S187 PolarHBondContact N-O 2.88Å; C184-S187 CarbonylContact O-C 3.48Å; C184-S187 WeakPolarHBondContact O-CA 3.27Å; C184-S187 PolarHBondContact O-N 3.23Å
185D76.9Confident90.3Very high150 Ų15059.5 Ų59.580%0.80231%0.305SS*.THydrogen-bonded Turntrans44.7-104.9-177.4-57.3-31.9000112.7K183K183-D185 VanDerWaalsContact CE-O 3.24Å; K183-D185 WeakPolarHBondContact CE-O 3.46Å
186N77.3Confident90.3Very high152 Ų15259.3 Ų59.381%0.81330%0.304SS*.THydrogen-bonded Turntrans-102.412.1-178.9-66.7-23.1000114C184C184-N186 PolarHBondContact O-N 3.37Å
187S87.9Confident90.4Very high32 Ų3257.7 Ų57.722%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-140.8-166.2-175.8-164.80000111.9C184C184-S187 PolarHBondContact N-O 2.88Å; C184-S187 CarbonylContact O-C 3.48Å; C184-S187 WeakPolarHBondContact O-CA 3.27Å; C184-S187 PolarHBondContact O-N 3.23Å
188M94.4Very high90.6Very high12 Ų1253.1 Ų53.16%0.05927%0.266CS..EExtended strand (participates in β ladder)trans-128.5155177.3-68.6-68-58.700109.9F70 L72 V78 K181 W182 K183 C230F70-M188 HydrophobicContact CB-CB 4.29Å; F70-M188 HydrophobicContact CB-CE 4.01Å; F70-M188 HydrophobicContact CB-CG 4.24Å; F70-M188 HydrophobicContact CD1-CB 3.85Å; F70-M188 HydrophobicContact CD1-CE 4.37Å; F70-M188 HydrophobicContact CD2-CB 3.45Å; F70-M188 VanDerWaalsContact CD2-CB 3.45Å; F70-M188 HydrophobicContact CD2-CG 4.03Å; F70-M188 HydrophobicContact CE1-CB 3.93Å; F70-M188 HydrophobicContact CE2-CB 3.55Å; F70-M188 HydrophobicContact CG-CB 3.6Å; F70-M188 HydrophobicContact CG-CE 4.29Å; F70-M188 HydrophobicContact CG-CG 4.08Å; F70-M188 HydrophobicContact CZ-CB 3.78Å; L72-M188 HydrophobicContact CD2-CE 3.61Å; V78-M188 HydrophobicContact CB-CG 3.88Å; V78-M188 HydrophobicContact CG1-CG 3.69Å; V78-M188 HydrophobicContact CG2-CG 4.2Å; V78-M188 HydrophobicContact CG2-SD 4.37Å; K181-M188 HydrophobicContact CB-CE 4.35Å; K181-M188 HydrophobicContact CG-CE 4.34Å; W182-M188 WeakPolarHBondContact O-CA 3.33Å; W182-M188 WeakPolarHBondContact O-CE 3.28Å; K183-M188 HydrophobicContact CB-SD 4.11Å; K183-M188 HydrophobicContact CG-SD 4.43Å; M188-C230 PolarHBondContact O-SG 2.86Å
189D95.3Very high90.9Very high2 Ų241.3 Ų41.31%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-142.9170167.5-163.46.3000109.8K181 W182 S228 V229 C230K181-D189 CarbonylContact C-O 3.55Å; K181-D189 WeakPolarHBondContact CA-O 3.2Å; K181-D189 VanDerWaalsContact CB-O 3.24Å; K181-D189 WeakPolarHBondContact CB-O 3.16Å; W182-D189 HydrophobicContact CZ2-CB 3.91Å; W182-D189 PolarHBondContact N-O 3.45Å; W182-D189 PolarHBondContact O-N 3.41Å; D189-S228 VanDerWaalsContact OD1-CB 3.3Å; D189-S228 WeakPolarHBondContact OD1-CB 3.47Å; D189-S228 PolarHBondContact OD1-OG 2.83Å; D189-S228 WeakPolarHBondContact OD2-CB 3.32Å; D189-S228 PolarHBondContact OD2-OG 3.49Å; D189-V229 PolarHBondContact OD1-N 2.89Å; D189-C230 HydrophobicContact CB-CB 4.22Å; D189-C230 VanDerWaalsContact CG-CB 3.5Å; D189-C230 VanDerWaalsContact OD1-CB 3.31Å; D189-C230 WeakPolarHBondContact OD1-CB 3.25Å; D189-C230 PolarHBondContact OD1-N 3.16Å
190G94.7Very high91Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-173.8175175.600000113.8I180 S228 V229I180-G190 CarbonylContact O-C 3.47Å; I180-G190 WeakPolarHBondContact O-CA 3.43Å; G190-S228 WeakPolarHBondContact O-CB 3.41Å; G190-V229 WeakPolarHBondContact O-CG2 3.34Å; G190-V229 PolarHBondContact O-N 3.17Å
191L94.7Very high90.9Very high2 Ų241.9 Ų41.91%0.0122%0.217CC..  trans-107.4150.3179.9-55.9178000110.3I180 W182 E226 Y234I180-L191 HydrophobicContact CB-CB 4.3Å; I180-L191 HydrophobicContact CD1-CD1 4.4Å; I180-L191 HydrophobicContact CG2-CD1 4.32Å; I180-L191 HydrophobicContact CG2-CG 4.47Å; I180-L191 PolarHBondContact O-N 3.27Å; W182-L191 HydrophobicContact CH2-CD1 4.47Å; W182-L191 HydrophobicContact CH2-CD2 3.84Å; W182-L191 HydrophobicContact CH2-CG 3.76Å; W182-L191 HydrophobicContact CZ3-CD1 4.38Å; W182-L191 HydrophobicContact CZ3-CD2 4.46Å; W182-L191 HydrophobicContact CZ3-CG 3.88Å; L191-E226 HydrophobicContact CD2-CG 4.24Å; L191-Y234 HydrophobicContact CD2-CD2 4.23Å
192T93.3Very high90.7Very high22 Ų2243 Ų4314%0.13523%0.229CC..  trans-74.9155.317063.10000110.3A164 A165 N194 G195 V229A164-T192 HydrophobicContact CB-CG2 3.83Å; A165-T192 HydrophobicContact CB-CG2 3.89Å; T192-N194 VanDerWaalsContact C-N 3.31Å; T192-N194 PolarHBondContact O-N 3.37Å; T192-G195 PolarHBondContact O-N 3.09Å; T192-G195 VanDerWaalsContact OG1-CA 3.26Å; T192-G195 WeakPolarHBondContact OG1-CA 3.43Å; T192-G195 PolarHBondContact OG1-N 3.46Å; T192-G195 VanDerWaalsContact OG1-N 3.09Å; T192-V229 HydrophobicContact CG2-CG2 4.1Å
193T89.4Confident90.6Very high106 Ų10641.6 Ų41.665%0.6523%0.227SC*.SBendtrans-57.5-41.9-176.9-57.20000112.9R237T193-R237 PolarHBondContact O-NH1 2.64Å; T193-R237 PolarHBondContact O-NH2 2.63Å
194N87.8Confident90.6Very high35 Ų3536.8 Ų36.819%0.18722%0.216CC..SBendtrans-93.4-16.8-179.4-71-20.2000113.6A142 T192 R237 R240 C262A142-N194 PolarHBondContact O-ND2 2.86Å; T192-N194 VanDerWaalsContact C-N 3.31Å; T192-N194 PolarHBondContact O-N 3.37Å; N194-R237 PolarHBondContact O-NH2 3.12Å; N194-R240 PolarHBondContact OD1-NH1 3.42Å; N194-C262 HydrophobicContact CB-CB 3.81Å
195G91.4Very high90.8Very high4 Ų440.4 Ų40.44%0.04123%0.227CC..  trans83.3156.8-178.700000111.8T192 E226 R237T192-G195 PolarHBondContact O-N 3.09Å; T192-G195 VanDerWaalsContact OG1-CA 3.26Å; T192-G195 WeakPolarHBondContact OG1-CA 3.43Å; T192-G195 PolarHBondContact OG1-N 3.46Å; T192-G195 VanDerWaalsContact OG1-N 3.09Å; G195-E226 WeakPolarHBondContact CA-OE1 3.38Å; G195-R237 VanDerWaalsContact N-NH2 3.18Å
196V95.1Very high91.3Very high3 Ų333.5 Ų33.52%0.01819%0.19CC..  trans-124.4111168.6170.60000105.3A147 C148 L162 A164 V227 I259 L261A147-V196 WeakPolarHBondContact O-CG2 3.28Å; C148-V196 HydrophobicContact CB-CG1 4.13Å; C148-V196 HydrophobicContact CB-CG2 4.19Å; L162-V196 HydrophobicContact CD1-CG1 4.31Å; L162-V196 HydrophobicContact CD2-CG1 3.85Å; L162-V196 HydrophobicContact CG-CG1 4.21Å; A164-V196 HydrophobicContact CB-CB 3.91Å; A164-V196 HydrophobicContact CB-CG2 3.8Å; V196-V227 PolarHBondContact O-N 3.16Å; V196-I259 HydrophobicContact CG1-CG2 4.2Å; V196-L261 HydrophobicContact CB-CD2 4.47Å; V196-L261 HydrophobicContact CG1-CD2 3.89Å; V196-L261 HydrophobicContact CG2-CD2 4.03Å
197M94.7Very high91.7Very high2 Ų227.7 Ų27.71%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-99.6146.6-174.9-49-59.9176.700110.1W224 R225 E226 M236 I259 D260 L430 F435M197-W224 HydrophobicContact CB-CE3 3.73Å; M197-W224 HydrophobicContact CB-CZ3 3.93Å; M197-R225 CarbonylContact C-O 3.57Å; M197-R225 WeakPolarHBondContact CA-O 3.27Å; M197-E226 HydrophobicContact CE-CB 4.21Å; M197-E226 HydrophobicContact CE-CG 3.97Å; M197-E226 HydrophobicContact SD-CB 3.55Å; M197-E226 VanDerWaalsContact SD-CB 3.55Å; M197-E226 HydrophobicContact SD-CG 3.73Å; M197-M236 HydrophobicContact CB-CE 4.3Å; M197-M236 HydrophobicContact CE-CG 4.35Å; M197-M236 HydrophobicContact CG-CE 3.95Å; M197-M236 HydrophobicContact SD-CE 4.03Å; M197-M236 HydrophobicContact SD-CG 4.39Å; M197-I259 CarbonylContact O-C 3.59Å; M197-I259 VanDerWaalsContact O-CA 3.28Å; M197-I259 WeakPolarHBondContact O-CA 3.21Å; M197-D260 HydrophobicContact CB-CB 4.13Å; M197-D260 PolarHBondContact N-O 2.6Å; M197-D260 PolarHBondContact O-N 2.69Å; M197-L430 HydrophobicContact CB-CD1 3.79Å; M197-L430 HydrophobicContact CG-CD1 3.77Å; M197-F435 HydrophobicContact CE-CE1 3.64Å; M197-F435 HydrophobicContact CE-CZ 4.1Å
198M95.8Very high91.4Very high1 Ų132.8 Ų32.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-130.3146.4170.567.2175.4-177.500111.2L162 R225 V227 V233 T257 I258L162-M198 HydrophobicContact CD2-CB 4.08Å; M198-R225 HydrophobicContact CE-CB 3.83Å; M198-R225 HydrophobicContact CE-CG 4.22Å; M198-R225 HydrophobicContact CG-CB 3.96Å; M198-R225 PolarHBondContact N-O 2.87Å; M198-R225 PolarHBondContact O-N 3.47Å; M198-V227 HydrophobicContact CB-CG2 4.49Å; M198-V227 HydrophobicContact CE-CG2 3.88Å; M198-V227 HydrophobicContact CG-CG2 3.8Å; M198-V227 HydrophobicContact SD-CG2 3.64Å; M198-V233 HydrophobicContact CE-CB 4.27Å; M198-V233 HydrophobicContact CE-CG1 3.57Å; M198-V233 HydrophobicContact CE-CG2 3.6Å; M198-T257 HydrophobicContact CB-CG2 4.23Å; M198-I258 CarbonylContact C-O 3.57Å; M198-I258 WeakPolarHBondContact CA-O 3.37Å
199L96Very high90.3Very high2 Ų236 Ų361%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-129.7125.4173-175.566.6000109.5I201 I220 Q223 W224 T257 I258 L427L199-I201 HydrophobicContact CD1-CD1 3.78Å; L199-I201 HydrophobicContact CD1-CG1 3.84Å; L199-I201 HydrophobicContact CD2-CD1 4.24Å; L199-I201 HydrophobicContact CG-CD1 4.13Å; L199-I201 HydrophobicContact CG-CG1 3.99Å; L199-I220 HydrophobicContact CD2-CG2 4.48Å; L199-Q223 HydrophobicContact CD1-CB 3.83Å; L199-W224 HydrophobicContact CB-CD2 3.74Å; L199-W224 HydrophobicContact CB-CE3 3.66Å; L199-W224 HydrophobicContact CB-CG 4.47Å; L199-W224 HydrophobicContact CB-CH2 3.77Å; L199-W224 HydrophobicContact CB-CZ2 3.81Å; L199-W224 HydrophobicContact CB-CZ3 3.69Å; L199-W224 HydrophobicContact CD1-CD2 4.11Å; L199-W224 HydrophobicContact CD1-CG 3.99Å; L199-W224 HydrophobicContact CD2-CD2 4.33Å; L199-W224 HydrophobicContact CD2-CH2 4.38Å; L199-W224 HydrophobicContact CD2-CZ2 3.65Å; L199-W224 HydrophobicContact CG-CD2 4.28Å; L199-W224 HydrophobicContact CG-CZ2 4.29Å; L199-T257 WeakPolarHBondContact O-CA 3.35Å; L199-I258 HydrophobicContact CB-CB 4.19Å; L199-I258 PolarHBondContact N-O 3.23Å; L199-I258 PolarHBondContact O-N 3.24Å; L199-L427 HydrophobicContact CD2-CD1 3.57Å; L199-L427 HydrophobicContact CD2-CG 4.35Å
200R94.5Very high88.7Confident51 Ų5137.3 Ų37.319%0.19220%0.202CC..  trans-124.776.9-174.9-62.3-176.5-62.8178.4-2.7110.7E249 D250 I252 T257R200-E249 IonicContact NH2-OE2 2.92Å; R200-E249 PolarHBondContact NH2-OE2 2.76Å; R200-E249 VanDerWaalsContact NH2-OE2 3.08Å; R200-D250 IonicContact CZ-OD1 2.8Å; R200-D250 PolarHBondContact NH1-O 2.64Å; R200-D250 IonicContact NH1-OD1 3.74Å; R200-D250 PolarHBondContact NH1-OD1 2.83Å; R200-D250 PolarHBondContact NH2-O 3.39Å; R200-D250 IonicContact NH2-OD1 3.53Å; R200-I252 WeakPolarHBondContact CD-O 3.41Å; R200-I252 PolarHBondContact NH1-O 2.8Å; R200-T257 HydrophobicContact CG-CG2 3.73Å
201I90.3Very high87Confident9 Ų944.3 Ų44.35%0.04624%0.239CC..  trans-115.6114176.1-48.3-178.3000108.7L199 K205 I206 I220 Q223L199-I201 HydrophobicContact CD1-CD1 3.78Å; L199-I201 HydrophobicContact CD1-CG1 3.84Å; L199-I201 HydrophobicContact CD2-CD1 4.24Å; L199-I201 HydrophobicContact CG-CD1 4.13Å; L199-I201 HydrophobicContact CG-CG1 3.99Å; I201-K205 HydrophobicContact CG2-CB 4.18Å; I201-I206 HydrophobicContact CB-CD1 3.94Å; I201-I206 HydrophobicContact CB-CG1 4.07Å; I201-I206 HydrophobicContact CD1-CD1 4.43Å; I201-I206 HydrophobicContact CG2-CD1 3.84Å; I201-I206 HydrophobicContact CG2-CG1 3.4Å; I201-I220 HydrophobicContact CD1-CG2 4.39Å; I201-Q223 HydrophobicContact CD1-CB 4.14Å; I201-Q223 VanDerWaalsContact CD1-OE1 3.3Å; I201-Q223 HydrophobicContact CG1-CB 4.45Å; I201-Q223 VanDerWaalsContact CG1-OE1 3.29Å
202P88.9Confident85.3Confident62 Ų6251.3 Ų51.340%0.40327%0.272SS..  trans-54.5135.1174.4-25.934000111A204 K205P202-A204 PolarHBondContact O-N 2.89Å; P202-A204 VanDerWaalsContact O-N 3.15Å; P202-K205 HydrophobicContact CB-CG 4.44Å; P202-K205 HydrophobicContact CG-CD 4.41Å; P202-K205 PolarHBondContact O-N 3.12Å
203P90Very high83.5Confident27 Ų2753.7 Ų53.718%0.17529%0.294CS..Hα-helixtrans-52.9-39.8-177.2-30.235.2000114.5K205 I206 I207 M256 V400 Y423P203-K205 VanDerWaalsContact C-N 3.29Å; P203-K205 PolarHBondContact O-N 2.68Å; P203-I206 PolarHBondContact O-N 3.43Å; P203-I206 VanDerWaalsContact O-N 3.08Å; P203-I207 HydrophobicContact CB-CD1 4.23Å; P203-I207 WeakPolarHBondContact O-CD1 3.43Å; P203-I207 VanDerWaalsContact O-CG1 3.27Å; P203-I207 WeakPolarHBondContact O-CG1 3.29Å; P203-I207 PolarHBondContact O-N 2.84Å; P203-M256 HydrophobicContact CG-CB 4.18Å; P203-M256 HydrophobicContact CG-CE 4.34Å; P203-M256 HydrophobicContact CG-CG 3.67Å; P203-V400 HydrophobicContact CB-CB 4.24Å; P203-V400 HydrophobicContact CB-CG1 4.09Å; P203-V400 HydrophobicContact CG-CB 4.49Å; P203-V400 HydrophobicContact CG-CG1 4.2Å; P203-Y423 HydrophobicContact CB-CD2 3.75Å; P203-Y423 HydrophobicContact CB-CE2 4Å; P203-Y423 HydrophobicContact CB-CG 4.42Å; P203-Y423 HydrophobicContact CG-CD2 4.2Å; P203-Y423 HydrophobicContact CG-CE2 3.97Å
204A89.2Confident81.7Confident55 Ų5554.5 Ų54.546%0.45530%0.304SS..Hα-helixtrans-54-43.6177.500000112.4P202 I206 I207 E208P202-A204 PolarHBondContact O-N 2.89Å; P202-A204 VanDerWaalsContact O-N 3.15Å; A204-I206 VanDerWaalsContact C-N 3.33Å; A204-I206 PolarHBondContact O-N 2.92Å; A204-I207 PolarHBondContact O-N 3.14Å; A204-E208 WeakPolarHBondContact O-CB 3.31Å; A204-E208 VanDerWaalsContact O-CG 3.29Å; A204-E208 WeakPolarHBondContact O-CG 3.48Å; A204-E208 PolarHBondContact O-N 3.11Å
205K88.3Confident80.1Confident119 Ų11958.6 Ų58.652%0.51733%0.326SS..Hα-helixtrans-63.8-37.8178.9-67.8-168.2-179.3-178.50112.3I201 P202 P203 Q209I201-K205 HydrophobicContact CG2-CB 4.18Å; P202-K205 HydrophobicContact CB-CG 4.44Å; P202-K205 HydrophobicContact CG-CD 4.41Å; P202-K205 PolarHBondContact O-N 3.12Å; P203-K205 VanDerWaalsContact C-N 3.29Å; P203-K205 PolarHBondContact O-N 2.68Å; K205-Q209 WeakPolarHBondContact O-CB 3.48Å; K205-Q209 WeakPolarHBondContact O-CG 3.47Å; K205-Q209 PolarHBondContact O-N 3.35Å
206I87.4Confident78.6Confident6 Ų662.1 Ų62.13%0.03134%0.338CS..Hα-helixtrans-70.9-44.3177.8-57.9-163000110.5I201 P203 A204 Q209 T210 Y423 N426 L427I201-I206 HydrophobicContact CB-CD1 3.94Å; I201-I206 HydrophobicContact CB-CG1 4.07Å; I201-I206 HydrophobicContact CD1-CD1 4.43Å; I201-I206 HydrophobicContact CG2-CD1 3.84Å; I201-I206 HydrophobicContact CG2-CG1 3.4Å; P203-I206 PolarHBondContact O-N 3.43Å; P203-I206 VanDerWaalsContact O-N 3.08Å; A204-I206 VanDerWaalsContact C-N 3.33Å; A204-I206 PolarHBondContact O-N 2.92Å; I206-Q209 PolarHBondContact O-N 3.33Å; I206-T210 WeakPolarHBondContact O-CG2 3.28Å; I206-Y423 HydrophobicContact CB-CD2 3.98Å; I206-Y423 HydrophobicContact CB-CE2 4.43Å; I206-Y423 HydrophobicContact CD1-CD2 3.82Å; I206-Y423 HydrophobicContact CD1-CE2 3.47Å; I206-Y423 VanDerWaalsContact CD1-CE2 3.47Å; I206-Y423 HydrophobicContact CG1-CD2 4.22Å; I206-Y423 HydrophobicContact CG1-CE2 4.15Å; I206-Y423 HydrophobicContact CG2-CD2 4.25Å; I206-N426 HydrophobicContact CG2-CB 3.57Å; I206-L427 HydrophobicContact CD1-CB 4.14Å; I206-L427 HydrophobicContact CD1-CD1 3.28Å; I206-L427 HydrophobicContact CD1-CG 4.32Å
207I86.9Confident76.9Confident29 Ų2966.8 Ų66.815%0.14936%0.363CS..Hα-helixtrans-65.1-41.3-177-65.4160.1000110.6P203 A204 T210 V400 N419 R422P203-I207 HydrophobicContact CB-CD1 4.23Å; P203-I207 WeakPolarHBondContact O-CD1 3.43Å; P203-I207 VanDerWaalsContact O-CG1 3.27Å; P203-I207 WeakPolarHBondContact O-CG1 3.29Å; P203-I207 PolarHBondContact O-N 2.84Å; A204-I207 PolarHBondContact O-N 3.14Å; I207-T210 WeakPolarHBondContact O-CB 3.35Å; I207-T210 VanDerWaalsContact O-CG2 3.31Å; I207-T210 WeakPolarHBondContact O-CG2 3.5Å; I207-T210 PolarHBondContact O-N 3.07Å; I207-T210 PolarHBondContact O-OG1 3.15Å; I207-V400 HydrophobicContact CD1-CG2 4.33Å; I207-N419 HydrophobicContact CD1-CB 3.84Å; I207-R422 HydrophobicContact CG1-CB 4.36Å
208E81.7Confident75.2Confident140 Ų14069.8 Ų69.865%0.65438%0.384SS*.Hα-helixtrans-66.6-36177.8-73.2169.6-170.500113.1A204 T210A204-E208 WeakPolarHBondContact O-CB 3.31Å; A204-E208 VanDerWaalsContact O-CG 3.29Å; A204-E208 WeakPolarHBondContact O-CG 3.48Å; A204-E208 PolarHBondContact O-N 3.11Å; E208-T210 PolarHBondContact O-N 3.43Å
209Q70.6Confident74Confident79 Ų7973.3 Ų73.337%0.36940%0.403SS..Hα-helixtrans-72.5-10-179.2-74.6175.210.200114.1K205 I206 N211 Q212K205-Q209 WeakPolarHBondContact O-CB 3.48Å; K205-Q209 WeakPolarHBondContact O-CG 3.47Å; K205-Q209 PolarHBondContact O-N 3.35Å; I206-Q209 PolarHBondContact O-N 3.33Å; Q209-N211 PolarHBondContact O-N 2.77Å; Q209-Q212 PolarHBondContact O-N 3.21Å; Q209-Q212 VanDerWaalsContact O-N 3.08Å
210T63Low72.9Confident29 Ų2973.8 Ų73.818%0.17841%0.405CS..THydrogen-bonded Turntrans-58.4-21.5-177.858.50000114I206 I207 E208 Q212 R422 N426I206-T210 WeakPolarHBondContact O-CG2 3.28Å; I207-T210 WeakPolarHBondContact O-CB 3.35Å; I207-T210 VanDerWaalsContact O-CG2 3.31Å; I207-T210 WeakPolarHBondContact O-CG2 3.5Å; I207-T210 PolarHBondContact O-N 3.07Å; I207-T210 PolarHBondContact O-OG1 3.15Å; E208-T210 PolarHBondContact O-N 3.43Å; T210-Q212 PolarHBondContact O-N 3.16Å; T210-R422 HydrophobicContact CG2-CB 4.48Å; T210-N426 HydrophobicContact CG2-CB 4.24Å; T210-N426 VanDerWaalsContact CG2-ND2 3.29Å; T210-N426 WeakPolarHBondContact CG2-ND2 3.47Å
211N58.6Low72Confident147 Ų14775.8 Ų75.879%0.78641%0.413SS*.THydrogen-bonded Turntrans-79.3-7.7179.3-65.9-31.2000114.8Q209Q209-N211 PolarHBondContact O-N 2.77Å
212Q58.3Low71.4Confident150 Ų15078.7 Ų78.770%0.70143%0.434SS*.  trans-121.6116.2-174.2-62179.718.300111.8Q209 T210 R216Q209-Q212 PolarHBondContact O-N 3.21Å; Q209-Q212 VanDerWaalsContact O-N 3.08Å; T210-Q212 PolarHBondContact O-N 3.16Å; Q212-R216 WeakPolarHBondContact O-CD 3.38Å; Q212-R216 PolarHBondContact O-NH1 3.34Å
213A56.2Low71.4Confident72 Ų7278.2 Ų78.260%0.59543%0.426SS*.  trans-87.1-30.6-161.500000117.4R216A213-R216 VanDerWaalsContact CA-CZ 3.43Å; A213-R216 PolarHBondContact O-NE 3.29Å; A213-R216 PolarHBondContact O-NH2 3.18Å; A213-R216 VanDerWaalsContact O-NH2 3.16Å
214S51.8Low71.5Confident123 Ų12377 Ų7786%0.8642%0.418SS*.SBendtrans-99.8-3.4-147.350.10000118
215D53Low71.8Confident120 Ų12075.7 Ų75.764%0.64240%0.401SS*.SBendtrans-145.339.3-175.5-149.4-2.3000114S218D215-S218 PolarHBondContact O-OG 3.06Å; D215-S218 PolarHBondContact OD1-OG 2.97Å
216R60.3Low72.1Confident78 Ų7870 Ų7029%0.29438%0.377SS..Hα-helixtrans-89.3-45-166.7-71-175.8-70.6-1382.6114.9Q212 A213 S218 N219 I220Q212-R216 WeakPolarHBondContact O-CD 3.38Å; Q212-R216 PolarHBondContact O-NH1 3.34Å; A213-R216 VanDerWaalsContact CA-CZ 3.43Å; A213-R216 PolarHBondContact O-NE 3.29Å; A213-R216 PolarHBondContact O-NH2 3.18Å; A213-R216 VanDerWaalsContact O-NH2 3.16Å; R216-S218 VanDerWaalsContact C-N 3.28Å; R216-S218 PolarHBondContact O-N 2.81Å; R216-N219 PolarHBondContact O-N 2.89Å; R216-N219 VanDerWaalsContact O-N 3.15Å; R216-I220 PolarHBondContact O-N 3.15Å
217D60Low72.6Confident102 Ų10269.8 Ų69.855%0.54538%0.375SS..Hα-helixtrans-65.9-36.7-173.2-65.9-17.7000111.3R221D217-R221 VanDerWaalsContact O-CB 3.31Å; D217-R221 WeakPolarHBondContact O-CB 3.25Å; D217-R221 PolarHBondContact O-N 3.32Å; D217-R221 VanDerWaalsContact O-N 3.15Å
218S59.2Low73Confident65 Ų6568.4 Ų68.446%0.45537%0.368SS..Hα-helixtrans-61.1-44.9172.753.70000111.8D215 R216 S222D215-S218 PolarHBondContact O-OG 3.06Å; D215-S218 PolarHBondContact OD1-OG 2.97Å; R216-S218 VanDerWaalsContact C-N 3.28Å; R216-S218 PolarHBondContact O-N 2.81Å; S218-S222 PolarHBondContact O-N 2.83Å; S218-S222 PolarHBondContact O-OG 3.5Å
219N70.5Confident73.8Confident74 Ų7461.7 Ų61.740%0.39634%0.337SS..Hα-helixtrans-73.7-38.9-176.1-165.5-26.4000113.2R216 S222 Q223R216-N219 PolarHBondContact O-N 2.89Å; R216-N219 VanDerWaalsContact O-N 3.15Å; N219-S222 PolarHBondContact O-OG 3.18Å; N219-Q223 WeakPolarHBondContact O-CG 3.27Å; N219-Q223 PolarHBondContact O-NE2 3.12Å; N219-Q223 VanDerWaalsContact O-NE2 3.1Å; N219-Q223 PolarHBondContact OD1-NE2 2.6Å
220I71.4Confident75Confident12 Ų1259.7 Ų59.76%0.06233%0.331CS..Hα-helixtrans-73-38.6177.2-64.7168.3000110.6L199 I201 R216 S222 Q223 W224 N426 Q428L199-I220 HydrophobicContact CD2-CG2 4.48Å; I201-I220 HydrophobicContact CD1-CG2 4.39Å; R216-I220 PolarHBondContact O-N 3.15Å; I220-S222 VanDerWaalsContact C-N 3.26Å; I220-S222 PolarHBondContact O-N 3.2Å; I220-Q223 WeakPolarHBondContact O-CB 3.47Å; I220-Q223 PolarHBondContact O-N 2.73Å; I220-W224 PolarHBondContact O-N 2.56Å; I220-N426 VanDerWaalsContact CD1-O 3.29Å; I220-N426 WeakPolarHBondContact CD1-O 3.42Å; I220-Q428 HydrophobicContact CB-CB 4.48Å; I220-Q428 HydrophobicContact CB-CG 4.46Å; I220-Q428 HydrophobicContact CD1-CB 4.43Å; I220-Q428 HydrophobicContact CD1-CG 3.8Å; I220-Q428 HydrophobicContact CG2-CB 3.87Å; I220-Q428 HydrophobicContact CG2-CG 4.34Å
221R76.4Confident76.6Confident93 Ų9358.7 Ų58.735%0.35133%0.327SS..Hα-helixtrans-57.1-43.6175.9-172.2176.2-174.481.23.6111.4D217 Q223 W224 F435 L437D217-R221 VanDerWaalsContact O-CB 3.31Å; D217-R221 WeakPolarHBondContact O-CB 3.25Å; D217-R221 PolarHBondContact O-N 3.32Å; D217-R221 VanDerWaalsContact O-N 3.15Å; R221-Q223 PolarHBondContact O-N 3.1Å; R221-W224 PolarHBondContact O-N 2.55Å; R221-F435 PolarHBondContact NH1-O 3.44Å; R221-L437 HydrophobicContact CB-CD1 3.53Å; R221-L437 HydrophobicContact CG-CD1 3.84Å
222S77.9Confident78.4Confident70 Ų7053.8 Ų53.849%0.4930%0.304SS..THydrogen-bonded Turntrans-71.9-1.9179.269.60000114.2S218 N219 I220 R225S218-S222 PolarHBondContact O-N 2.83Å; S218-S222 PolarHBondContact O-OG 3.5Å; N219-S222 PolarHBondContact O-OG 3.18Å; I220-S222 VanDerWaalsContact C-N 3.26Å; I220-S222 PolarHBondContact O-N 3.2Å; S222-R225 PolarHBondContact O-NH1 3.42Å; S222-R225 PolarHBondContact O-NH2 3.33Å
223Q88.8Confident80.2Confident53 Ų5346.7 Ų46.725%0.24827%0.271CS..THydrogen-bonded Turntrans-101.4-15.4174.7-73.3177.777.300113.6L199 I201 N219 I220 R221L199-Q223 HydrophobicContact CD1-CB 3.83Å; I201-Q223 HydrophobicContact CD1-CB 4.14Å; I201-Q223 VanDerWaalsContact CD1-OE1 3.3Å; I201-Q223 HydrophobicContact CG1-CB 4.45Å; I201-Q223 VanDerWaalsContact CG1-OE1 3.29Å; N219-Q223 WeakPolarHBondContact O-CG 3.27Å; N219-Q223 PolarHBondContact O-NE2 3.12Å; N219-Q223 VanDerWaalsContact O-NE2 3.1Å; N219-Q223 PolarHBondContact OD1-NE2 2.6Å; I220-Q223 WeakPolarHBondContact O-CB 3.47Å; I220-Q223 PolarHBondContact O-N 2.73Å; R221-Q223 PolarHBondContact O-N 3.1Å
224W93.1Very high82Confident1 Ų144.1 Ų44.10%0.00425%0.246CC..  trans-67.3140169.4-78.794000110.5M197 L199 I220 R221 M236 I258 D260 Q428 L429 L430M197-W224 HydrophobicContact CB-CE3 3.73Å; M197-W224 HydrophobicContact CB-CZ3 3.93Å; L199-W224 HydrophobicContact CB-CD2 3.74Å; L199-W224 HydrophobicContact CB-CE3 3.66Å; L199-W224 HydrophobicContact CB-CG 4.47Å; L199-W224 HydrophobicContact CB-CH2 3.77Å; L199-W224 HydrophobicContact CB-CZ2 3.81Å; L199-W224 HydrophobicContact CB-CZ3 3.69Å; L199-W224 HydrophobicContact CD1-CD2 4.11Å; L199-W224 HydrophobicContact CD1-CG 3.99Å; L199-W224 HydrophobicContact CD2-CD2 4.33Å; L199-W224 HydrophobicContact CD2-CH2 4.38Å; L199-W224 HydrophobicContact CD2-CZ2 3.65Å; L199-W224 HydrophobicContact CG-CD2 4.28Å; L199-W224 HydrophobicContact CG-CZ2 4.29Å; I220-W224 PolarHBondContact O-N 2.56Å; R221-W224 PolarHBondContact O-N 2.55Å; W224-M236 HydrophobicContact CB-CE 3.33Å; W224-M236 HydrophobicContact CB-SD 4.42Å; W224-M236 HydrophobicContact CD2-CE 4.07Å; W224-M236 HydrophobicContact CE3-CE 4.3Å; W224-M236 HydrophobicContact CG-CE 3.69Å; W224-I258 HydrophobicContact CH2-CB 4.16Å; W224-I258 HydrophobicContact CH2-CG2 3.69Å; W224-I258 HydrophobicContact CZ3-CG2 4.42Å; W224-D260 HydrophobicContact CH2-CB 4.41Å; W224-D260 HydrophobicContact CZ3-CB 4.18Å; W224-Q428 PolarHBondContact NE1-O 2.8Å; W224-L429 HydrophobicContact CZ2-CD2 4.34Å; W224-L430 HydrophobicContact CD2-CD1 3.78Å; W224-L430 HydrophobicContact CD2-CG 4.05Å; W224-L430 HydrophobicContact CE3-CD1 3.63Å; W224-L430 HydrophobicContact CE3-CG 4.35Å; W224-L430 HydrophobicContact CG-CD1 4.48Å; W224-L430 HydrophobicContact CH2-CD1 4.05Å; W224-L430 HydrophobicContact CH2-CG 4.3Å; W224-L430 HydrophobicContact CZ2-CD1 4.2Å; W224-L430 HydrophobicContact CZ2-CG 4.02Å; W224-L430 HydrophobicContact CZ3-CD1 3.77Å; W224-L430 HydrophobicContact CZ3-CG 4.47Å
225R94.4Very high83.9Confident28 Ų2842.2 Ų42.211%0.10622%0.224CC..EExtended strand (participates in β ladder)trans-124.3143177.4-62.2-66.2173.1-1012111.2M197 M198 S222 V233 Y234 E249M197-R225 CarbonylContact C-O 3.57Å; M197-R225 WeakPolarHBondContact CA-O 3.27Å; M198-R225 HydrophobicContact CE-CB 3.83Å; M198-R225 HydrophobicContact CE-CG 4.22Å; M198-R225 HydrophobicContact CG-CB 3.96Å; M198-R225 PolarHBondContact N-O 2.87Å; M198-R225 PolarHBondContact O-N 3.47Å; S222-R225 PolarHBondContact O-NH1 3.42Å; S222-R225 PolarHBondContact O-NH2 3.33Å; R225-V233 HydrophobicContact CB-CG1 3.62Å; R225-V233 HydrophobicContact CG-CG1 3.62Å; R225-Y234 CarbonylContact C-O 3.55Å; R225-Y234 VanDerWaalsContact CA-O 3.26Å; R225-Y234 WeakPolarHBondContact CA-O 3.46Å; R225-Y234 WeakPolarHBondContact CD-O 3.26Å; R225-E249 IonicContact CZ-OE1 3.95Å; R225-E249 VanDerWaalsContact CZ-OE1 3.26Å; R225-E249 VanDerWaalsContact NE-CD 3.31Å; R225-E249 IonicContact NE-OE1 2.75Å; R225-E249 PolarHBondContact NE-OE1 3.1Å; R225-E249 IonicContact NE-OE2 2.67Å; R225-E249 PolarHBondContact NE-OE2 3.11Å; R225-E249 IonicContact NH2-OE1 3.16Å; R225-E249 PolarHBondContact NH2-OE1 3.06Å
226E95Very high85.5Confident0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-95133.2167.1-171.6161.8-168.500109.5L191 G195 M197 Y234 R237L191-E226 HydrophobicContact CD2-CG 4.24Å; G195-E226 WeakPolarHBondContact CA-OE1 3.38Å; M197-E226 HydrophobicContact CE-CB 4.21Å; M197-E226 HydrophobicContact CE-CG 3.97Å; M197-E226 HydrophobicContact SD-CB 3.55Å; M197-E226 VanDerWaalsContact SD-CB 3.55Å; M197-E226 HydrophobicContact SD-CG 3.73Å; E226-Y234 PolarHBondContact N-O 2.82Å; E226-Y234 PolarHBondContact O-N 3.16Å; E226-R237 IonicContact OE1-CZ 3.3Å; E226-R237 IonicContact OE1-NE 3.26Å; E226-R237 PolarHBondContact OE1-NE 3.39Å; E226-R237 IonicContact OE1-NH2 2.6Å; E226-R237 WeakPolarHBondContact OE2-CD 3.08Å; E226-R237 VanDerWaalsContact OE2-CG 3.26Å; E226-R237 WeakPolarHBondContact OE2-CG 3.18Å; E226-R237 IonicContact OE2-NE 2.76Å; E226-R237 PolarHBondContact OE2-NE 3.17Å
227V96.9Very high86.5Confident0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-101.1135.9179.6-174.80000109.6L162 A164 V196 M198 N251L162-V227 HydrophobicContact CD2-CG2 4.06Å; L162-V227 HydrophobicContact CG-CG2 4.45Å; L162-V227 VanDerWaalsContact O-CG1 3.31Å; L162-V227 WeakPolarHBondContact O-CG1 3.11Å; A164-V227 WeakPolarHBondContact CB-O 3.5Å; V196-V227 PolarHBondContact O-N 3.16Å; M198-V227 HydrophobicContact CB-CG2 4.49Å; M198-V227 HydrophobicContact CE-CG2 3.88Å; M198-V227 HydrophobicContact CG-CG2 3.8Å; M198-V227 HydrophobicContact SD-CG2 3.64Å; V227-N251 HydrophobicContact CG1-CB 4.35Å
228S96.5Very high87.3Confident0 Ų033.5 Ų33.50%019%0.189CC..PPolyproline II helixtrans-81.2171.4177.879.50000112.7A164 D189 G190 C230 G231 S232A164-S228 PolarHBondContact N-O 2.91Å; D189-S228 VanDerWaalsContact OD1-CB 3.3Å; D189-S228 WeakPolarHBondContact OD1-CB 3.47Å; D189-S228 PolarHBondContact OD1-OG 2.83Å; D189-S228 WeakPolarHBondContact OD2-CB 3.32Å; D189-S228 PolarHBondContact OD2-OG 3.49Å; G190-S228 WeakPolarHBondContact O-CB 3.41Å; S228-C230 VanDerWaalsContact C-N 3.26Å; S228-C230 PolarHBondContact O-N 2.8Å; S228-C230 PolarHBondContact OG-N 2.78Å; S228-G231 PolarHBondContact O-N 3.32Å; S228-G231 VanDerWaalsContact O-N 3.15Å; S228-G231 PolarHBondContact OG-N 3.33Å; S228-G231 VanDerWaalsContact OG-N 3.08Å; S228-S232 PolarHBondContact N-O 2.73Å; S228-S232 PolarHBondContact OG-N 3.47Å; S228-S232 PolarHBondContact OG-O 2.93Å
229V97.6Very high88.1Confident0 Ų033.9 Ų33.90%019%0.186CC..THydrogen-bonded Turntrans-65.1-32.7176.3175.90000110.9I68 R149 A164 A165 I173 L175 D189 G190 T192I68-V229 HydrophobicContact CD1-CG1 3.65Å; I68-V229 HydrophobicContact CG2-CG1 4.23Å; R149-V229 PolarHBondContact NH1-O 3.3Å; R149-V229 PolarHBondContact NH2-O 3.27Å; A164-V229 HydrophobicContact CB-CG2 4.38Å; A164-V229 WeakPolarHBondContact O-CA 3.29Å; A165-V229 HydrophobicContact CB-CG2 4.25Å; I173-V229 HydrophobicContact CD1-CG1 4.36Å; I173-V229 HydrophobicContact CG2-CG1 4.13Å; L175-V229 HydrophobicContact CD1-CG1 4.39Å; L175-V229 HydrophobicContact CD1-CG2 4.22Å; L175-V229 HydrophobicContact CD2-CG2 4.31Å; D189-V229 PolarHBondContact OD1-N 2.89Å; G190-V229 WeakPolarHBondContact O-CG2 3.34Å; G190-V229 PolarHBondContact O-N 3.17Å; T192-V229 HydrophobicContact CG2-CG2 4.1Å
230C96.6Very high88.1Confident36 Ų3633.8 Ų33.824%0.24318%0.18CC..THydrogen-bonded Turntrans-91.33.2174.4-62.40000113.9Y163 M188 D189 S228Y163-C230 WeakPolarHBondContact CE1-O 3.37Å; M188-C230 PolarHBondContact O-SG 2.86Å; D189-C230 HydrophobicContact CB-CB 4.22Å; D189-C230 VanDerWaalsContact CG-CB 3.5Å; D189-C230 VanDerWaalsContact OD1-CB 3.31Å; D189-C230 WeakPolarHBondContact OD1-CB 3.25Å; D189-C230 PolarHBondContact OD1-N 3.16Å; S228-C230 VanDerWaalsContact C-N 3.26Å; S228-C230 PolarHBondContact O-N 2.8Å; S228-C230 PolarHBondContact OG-N 2.78Å
231G96.7Very high87.8Confident8 Ų838.2 Ų38.28%0.08221%0.211CC..SBendtrans90.19172.800000115.2S228 N251S228-G231 PolarHBondContact O-N 3.32Å; S228-G231 VanDerWaalsContact O-N 3.15Å; S228-G231 PolarHBondContact OG-N 3.33Å; S228-G231 VanDerWaalsContact OG-N 3.08Å; G231-N251 VanDerWaalsContact O-CB 3.26Å; G231-N251 WeakPolarHBondContact O-CB 3.31Å; G231-N251 VanDerWaalsContact O-CG 3.22Å; G231-N251 PolarHBondContact O-ND2 3.41Å
232S95.6Very high87.5Confident45 Ų4536.9 Ų36.932%0.31521%0.213SC..  trans-71.1152.7168.4-67.90000110.9S228S228-S232 PolarHBondContact N-O 2.73Å; S228-S232 PolarHBondContact OG-N 3.47Å; S228-S232 PolarHBondContact OG-O 2.93Å
233V96.2Very high87.1Confident1 Ų137.1 Ų37.11%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-114.7127.9-168.21790000110.4M198 R225 L246 V247 E249 D250 N251M198-V233 HydrophobicContact CE-CB 4.27Å; M198-V233 HydrophobicContact CE-CG1 3.57Å; M198-V233 HydrophobicContact CE-CG2 3.6Å; R225-V233 HydrophobicContact CB-CG1 3.62Å; R225-V233 HydrophobicContact CG-CG1 3.62Å; V233-L246 WeakPolarHBondContact O-CD1 3.2Å; V233-V247 PolarHBondContact O-N 3.01Å; V233-E249 HydrophobicContact CB-CB 4.46Å; V233-E249 HydrophobicContact CG1-CB 4.1Å; V233-D250 WeakPolarHBondContact CG2-O 3.41Å; V233-N251 HydrophobicContact CG2-CB 3.88Å
234Y94Very high86.8Confident17 Ų1736.1 Ų36.17%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-124.5156.7-173.1-69.5-93.1000111.3W182 L191 R225 E226 T244 N245 L246W182-Y234 AromaticContact CE2-CZ 3.96Å; W182-Y234 VanDerWaalsContact CE2-OH 3.26Å; W182-Y234 HydrophobicContact CH2-CE1 4.21Å; W182-Y234 AromaticContact CH2-CE2 3.83Å; W182-Y234 HydrophobicContact CH2-CE2 3.83Å; W182-Y234 AromaticContact CH2-CZ 3.7Å; W182-Y234 HydrophobicContact CZ2-CE1 4.07Å; W182-Y234 AromaticContact CZ2-CE2 3.57Å; W182-Y234 HydrophobicContact CZ2-CE2 3.57Å; W182-Y234 AromaticContact CZ2-CZ 3.25Å; W182-Y234 WeakPolarHBondContact CZ2-OH 3.49Å; W182-Y234 PolarHBondContact NE1-OH 3.07Å; L191-Y234 HydrophobicContact CD2-CD2 4.23Å; R225-Y234 CarbonylContact C-O 3.55Å; R225-Y234 VanDerWaalsContact CA-O 3.26Å; R225-Y234 WeakPolarHBondContact CA-O 3.46Å; R225-Y234 WeakPolarHBondContact CD-O 3.26Å; E226-Y234 PolarHBondContact N-O 2.82Å; E226-Y234 PolarHBondContact O-N 3.16Å; Y234-T244 WeakPolarHBondContact CD1-O 3.06Å; Y234-N245 WeakPolarHBondContact CA-O 3.47Å; Y234-L246 HydrophobicContact CD1-CB 4.25Å; Y234-L246 HydrophobicContact CE1-CB 3.78Å; Y234-L246 HydrophobicContact CE1-CD1 3.95Å; Y234-L246 HydrophobicContact CE1-CG 4.5Å; Y234-L246 HydrophobicContact CE2-CD1 3.94Å
235E91.8Very high86.6Confident84 Ų8441.2 Ų41.239%0.39324%0.238SC..EExtended strand (participates in β ladder)trans-60.8148.4165.5-62.8178.5155.300109.6R237 T244 N245 V247E235-R237 PolarHBondContact O-N 3.37Å; E235-T244 VanDerWaalsContact O-CB 3.27Å; E235-T244 WeakPolarHBondContact O-CB 3.5Å; E235-T244 PolarHBondContact O-OG1 3.26Å; E235-N245 HydrophobicContact CG-CB 4.38Å; E235-N245 PolarHBondContact N-O 3.03Å; E235-N245 PolarHBondContact OE2-ND2 3.47Å; E235-V247 HydrophobicContact CB-CG2 4.44Å; E235-V247 HydrophobicContact CG-CG2 3.51Å
236M86.6Confident86.4Confident24 Ų2445 Ų4512%0.11826%0.26CS..PPolyproline II helixtrans-61.5128.6173.8-177.3179.2-76.600110.9M197 W224 L430 F435M197-M236 HydrophobicContact CB-CE 4.3Å; M197-M236 HydrophobicContact CE-CG 4.35Å; M197-M236 HydrophobicContact CG-CE 3.95Å; M197-M236 HydrophobicContact SD-CE 4.03Å; M197-M236 HydrophobicContact SD-CG 4.39Å; W224-M236 HydrophobicContact CB-CE 3.33Å; W224-M236 HydrophobicContact CB-SD 4.42Å; W224-M236 HydrophobicContact CD2-CE 4.07Å; W224-M236 HydrophobicContact CE3-CE 4.3Å; W224-M236 HydrophobicContact CG-CE 3.69Å; M236-L430 HydrophobicContact CE-CD1 3.3Å; M236-L430 HydrophobicContact CE-CD2 3.46Å; M236-L430 VanDerWaalsContact CE-CD2 3.46Å; M236-L430 HydrophobicContact CE-CG 3.92Å; M236-L430 HydrophobicContact SD-CD2 3.74Å; M236-F435 HydrophobicContact SD-CB 4.25Å; M236-F435 HydrophobicContact SD-CD1 3.95Å; M236-F435 HydrophobicContact SD-CG 4.27Å
237R82Confident86.2Confident1 Ų146.1 Ų46.10%0.00427%0.267CS..PPolyproline II helixtrans-64.5143.1173.760.7-164.3166.5143.120.2113.3T193 N194 G195 E226 E235 N239 R240 V242 T244 F435T193-R237 PolarHBondContact O-NH1 2.64Å; T193-R237 PolarHBondContact O-NH2 2.63Å; N194-R237 PolarHBondContact O-NH2 3.12Å; G195-R237 VanDerWaalsContact N-NH2 3.18Å; E226-R237 IonicContact OE1-CZ 3.3Å; E226-R237 IonicContact OE1-NE 3.26Å; E226-R237 PolarHBondContact OE1-NE 3.39Å; E226-R237 IonicContact OE1-NH2 2.6Å; E226-R237 WeakPolarHBondContact OE2-CD 3.08Å; E226-R237 VanDerWaalsContact OE2-CG 3.26Å; E226-R237 WeakPolarHBondContact OE2-CG 3.18Å; E226-R237 IonicContact OE2-NE 2.76Å; E226-R237 PolarHBondContact OE2-NE 3.17Å; E235-R237 PolarHBondContact O-N 3.37Å; R237-N239 WeakPolarHBondContact CB-O 3.4Å; R237-N239 VanDerWaalsContact CD-O 3.26Å; R237-N239 WeakPolarHBondContact CD-O 3.2Å; R237-N239 WeakPolarHBondContact CG-O 3.4Å; R237-N239 PolarHBondContact O-N 2.73Å; R237-R240 VanDerWaalsContact CZ-CA 3.45Å; R237-R240 VanDerWaalsContact NH1-CA 3.27Å; R237-R240 PolarHBondContact NH1-O 3.43Å; R237-V242 WeakPolarHBondContact CB-O 3.17Å; R237-T244 HydrophobicContact CB-CG2 3.68Å; R237-F435 HydrophobicContact CG-CZ 4.41Å
238S76.7Confident85.9Confident91 Ų9156.5 Ų56.564%0.63631%0.312SS*.SBendtrans-65.8-31.5174.256.10000111.8
239N74.7Confident85.9Confident74 Ų7460.1 Ų60.140%0.39633%0.329SS..SBendtrans-148.6163.3174.263.949000110.7R237 C241 V242R237-N239 WeakPolarHBondContact CB-O 3.4Å; R237-N239 VanDerWaalsContact CD-O 3.26Å; R237-N239 WeakPolarHBondContact CD-O 3.2Å; R237-N239 WeakPolarHBondContact CG-O 3.4Å; R237-N239 PolarHBondContact O-N 2.73Å; N239-C241 PolarHBondContact O-N 3.38Å; N239-C241 PolarHBondContact OD1-N 3.08Å; N239-V242 WeakPolarHBondContact OD1-CG2 3.43Å; N239-V242 PolarHBondContact OD1-N 3.13Å
240R70.4Confident85.8Confident71 Ų7163.9 Ų63.927%0.26835%0.349SS..THydrogen-bonded Turntrans-68.94.6-172.3-62.1-173.8-174.9172.710.9115.8N194 R237 C262 R432 F435N194-R240 PolarHBondContact OD1-NH1 3.42Å; R237-R240 VanDerWaalsContact CZ-CA 3.45Å; R237-R240 VanDerWaalsContact NH1-CA 3.27Å; R237-R240 PolarHBondContact NH1-O 3.43Å; R240-C262 VanDerWaalsContact CZ-SG 3.53Å; R240-C262 PolarHBondContact NH2-SG 2.69Å; R240-R432 PolarHBondContact NH2-O 2.86Å; R240-F435 HydrophobicContact CG-CE2 4.14Å; R240-F435 HydrophobicContact CG-CZ 4Å
241C67Low85.9Confident106 Ų10663 Ų6372%0.71634%0.342SS*.THydrogen-bonded Turntrans-121.21.3-172.3-64.50000113.7N239N239-C241 PolarHBondContact O-N 3.38Å; N239-C241 PolarHBondContact OD1-N 3.08Å
242V69.7Low86Confident64 Ų6464.8 Ų64.839%0.38835%0.349SS..  trans-122.1126.1-172.6176.90000110.4R237 N239R237-V242 WeakPolarHBondContact CB-O 3.17Å; N239-V242 WeakPolarHBondContact OD1-CG2 3.43Å; N239-V242 PolarHBondContact OD1-N 3.13Å
243P70.1Confident86.1Confident76 Ų7663 Ų6349%0.49434%0.336SS..  trans-66.3151.8171.527.6-32.8000110.9I180I180-P243 HydrophobicContact CG2-CB 3.81Å; I180-P243 HydrophobicContact CG2-CG 4.39Å
244T81Confident86.1Confident32 Ų3266.2 Ų66.220%0.19636%0.355CS..  trans-120.2179.3-179.846.90000112.2Y234 E235 R237Y234-T244 WeakPolarHBondContact CD1-O 3.06Å; E235-T244 VanDerWaalsContact O-CB 3.27Å; E235-T244 WeakPolarHBondContact O-CB 3.5Å; E235-T244 PolarHBondContact O-OG1 3.26Å; R237-T244 HydrophobicContact CB-CG2 3.68Å
245N88.6Confident86.3Confident107 Ų10767.6 Ų67.657%0.57236%0.364SS*.PPolyproline II helixtrans-71.5136.1-179.8-55.9-55000111Y234 E235 V247Y234-N245 WeakPolarHBondContact CA-O 3.47Å; E235-N245 HydrophobicContact CG-CB 4.38Å; E235-N245 PolarHBondContact N-O 3.03Å; E235-N245 PolarHBondContact OE2-ND2 3.47Å; N245-V247 PolarHBondContact O-N 2.8Å
246L90.9Very high86.5Confident107 Ų10763.8 Ų63.856%0.5635%0.346SS*.BIsolated β-bridgetrans-63.7131.8166.8-179.974.1000108.6V233 Y234V233-L246 WeakPolarHBondContact O-CD1 3.2Å; Y234-L246 HydrophobicContact CD1-CB 4.25Å; Y234-L246 HydrophobicContact CE1-CB 3.78Å; Y234-L246 HydrophobicContact CE1-CD1 3.95Å; Y234-L246 HydrophobicContact CE1-CG 4.5Å; Y234-L246 HydrophobicContact CE2-CD1 3.94Å
247V91Very high87Confident25 Ų2562.6 Ų62.615%0.15234%0.341CS..PPolyproline II helixtrans-102139.5175-172.20000108.7V233 E235 N245 E249V233-V247 PolarHBondContact O-N 3.01Å; E235-V247 HydrophobicContact CB-CG2 4.44Å; E235-V247 HydrophobicContact CG-CG2 3.51Å; N245-V247 PolarHBondContact O-N 2.8Å; V247-E249 HydrophobicContact CG1-CB 4.14Å; V247-E249 HydrophobicContact CG1-CG 3.76Å; V247-E249 WeakPolarHBondContact CG1-OE1 3.29Å; V247-E249 PolarHBondContact O-N 2.93Å
248K91.2Very high87.8Confident218 Ų21862.6 Ų62.695%0.94834%0.341SS*.SBendtrans-76.658.9174.9-68.7-176178.7179.60111.4
249E95.1Very high88.8Confident76 Ų7658.3 Ų58.336%0.35531%0.31SS..  trans-127.7153.4177.7-79.1176.7-139.500109.9R200 R225 V233 V247R200-E249 IonicContact NH2-OE2 2.92Å; R200-E249 PolarHBondContact NH2-OE2 2.76Å; R200-E249 VanDerWaalsContact NH2-OE2 3.08Å; R225-E249 IonicContact CZ-OE1 3.95Å; R225-E249 VanDerWaalsContact CZ-OE1 3.26Å; R225-E249 VanDerWaalsContact NE-CD 3.31Å; R225-E249 IonicContact NE-OE1 2.75Å; R225-E249 PolarHBondContact NE-OE1 3.1Å; R225-E249 IonicContact NE-OE2 2.67Å; R225-E249 PolarHBondContact NE-OE2 3.11Å; R225-E249 IonicContact NH2-OE1 3.16Å; R225-E249 PolarHBondContact NH2-OE1 3.06Å; V233-E249 HydrophobicContact CB-CB 4.46Å; V233-E249 HydrophobicContact CG1-CB 4.1Å; V247-E249 HydrophobicContact CG1-CB 4.14Å; V247-E249 HydrophobicContact CG1-CG 3.76Å; V247-E249 WeakPolarHBondContact CG1-OE1 3.29Å; V247-E249 PolarHBondContact O-N 2.93Å
250D96.9Very high89.8Confident79 Ų7955.3 Ų55.342%0.42229%0.294SS..  trans-84.7165.9171.962.356.7000111.8R200 V233 I252R200-D250 IonicContact CZ-OD1 2.8Å; R200-D250 PolarHBondContact NH1-O 2.64Å; R200-D250 IonicContact NH1-OD1 3.74Å; R200-D250 PolarHBondContact NH1-OD1 2.83Å; R200-D250 PolarHBondContact NH2-O 3.39Å; R200-D250 IonicContact NH2-OD1 3.53Å; V233-D250 WeakPolarHBondContact CG2-O 3.41Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 HydrophobicContact CB-CD1 4.15Å; D250-I252 HydrophobicContact CB-CG1 4.08Å; D250-I252 WeakPolarHBondContact OD1-CB 3.3Å; D250-I252 WeakPolarHBondContact OD1-CG1 3.37Å; D250-I252 PolarHBondContact OD1-N 3.05Å
251N97.9Very high90.9Very high16 Ų1652 Ų529%0.08628%0.282CS..  trans-94.923.6174.562.5-25.2000113.2R161 L162 V227 G231 V233R161-N251 WeakPolarHBondContact CA-O 3.42Å; L162-N251 PolarHBondContact N-O 3.01Å; L162-N251 PolarHBondContact O-ND2 3.19Å; V227-N251 HydrophobicContact CG1-CB 4.35Å; G231-N251 VanDerWaalsContact O-CB 3.26Å; G231-N251 WeakPolarHBondContact O-CB 3.31Å; G231-N251 VanDerWaalsContact O-CG 3.22Å; G231-N251 PolarHBondContact O-ND2 3.41Å; V233-N251 HydrophobicContact CG2-CB 3.88Å
252I98.6Very high92Very high46 Ų4647.2 Ų47.224%0.23625%0.25CC..BIsolated β-bridgetrans-75133.1-177.5-62170.9000109.9T159 A160 R161 R200 D250 T254T159-I252 HydrophobicContact CG2-CB 4.32Å; T159-I252 HydrophobicContact CG2-CD1 3.79Å; T159-I252 HydrophobicContact CG2-CG1 3.78Å; T159-I252 HydrophobicContact CG2-CG2 3.62Å; A160-I252 CarbonylContact O-C 3.58Å; A160-I252 WeakPolarHBondContact O-CA 3.28Å; R161-I252 HydrophobicContact CG-CG1 4.02Å; R200-I252 WeakPolarHBondContact CD-O 3.41Å; R200-I252 PolarHBondContact NH1-O 2.8Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 HydrophobicContact CB-CD1 4.15Å; D250-I252 HydrophobicContact CB-CG1 4.08Å; D250-I252 WeakPolarHBondContact OD1-CB 3.3Å; D250-I252 WeakPolarHBondContact OD1-CG1 3.37Å; D250-I252 PolarHBondContact OD1-N 3.05Å; I252-T254 PolarHBondContact O-N 2.82Å
253L98.6Very high92.8Very high8 Ų844.3 Ų44.34%0.04223%0.233CC..  trans-83.5101.9173.6-60.6-179.2000110I150 A160 L162 T257 I259 W268I150-L253 HydrophobicContact CD1-CD1 3.71Å; I150-L253 HydrophobicContact CG1-CD1 4.05Å; I150-L253 HydrophobicContact CG2-CD1 4.02Å; A160-L253 HydrophobicContact CB-CB 4.13Å; A160-L253 HydrophobicContact CB-CD1 4.3Å; A160-L253 PolarHBondContact O-N 2.7Å; L162-L253 HydrophobicContact CB-CD2 3.93Å; L162-L253 HydrophobicContact CB-CG 4.27Å; L162-L253 HydrophobicContact CD2-CD2 4.34Å; L253-T257 HydrophobicContact CD2-CG2 3.55Å; L253-I259 HydrophobicContact CD1-CD1 4.09Å; L253-I259 HydrophobicContact CD2-CD1 3.93Å; L253-I259 HydrophobicContact CD2-CG1 4.24Å; L253-W268 VanDerWaalsContact CB-CD1 3.5Å; L253-W268 HydrophobicContact CB-CD2 4.42Å; L253-W268 HydrophobicContact CB-CG 3.97Å; L253-W268 HydrophobicContact CD1-CD2 4.2Å; L253-W268 HydrophobicContact CD1-CG 4.16Å; L253-W268 PolarHBondContact O-NE1 3.15Å
254T96.3Very high93.9Very high68 Ų6840.7 Ų40.742%0.41721%0.209SC..  trans-81157.7168.355.10000110.4I252 M256 T257I252-T254 PolarHBondContact O-N 2.82Å; T254-M256 PolarHBondContact O-N 2.99Å; T254-T257 PolarHBondContact N-OG1 3.49Å; T254-T257 VanDerWaalsContact O-CB 3.3Å; T254-T257 WeakPolarHBondContact O-CB 3.5Å; T254-T257 PolarHBondContact O-N 3.45Å; T254-T257 PolarHBondContact O-OG1 3.05Å; T254-T257 PolarHBondContact OG1-OG1 3.45Å
255D96.3Very high94.6Very high47 Ų4739.8 Ų39.825%0.25120%0.204SC..THydrogen-bonded Turntrans-53.3138.9176.6-170.954.7000111.5T257 R269 S270 G273D255-T257 VanDerWaalsContact C-N 3.31Å; D255-R269 WeakPolarHBondContact OD1-CA 3.42Å; D255-R269 IonicContact OD1-CZ 2.84Å; D255-R269 VanDerWaalsContact OD1-CZ 3.3Å; D255-R269 IonicContact OD1-NE 3.3Å; D255-R269 IonicContact OD1-NH1 3.65Å; D255-R269 PolarHBondContact OD1-NH1 3.08Å; D255-R269 IonicContact OD1-NH2 2.89Å; D255-R269 IonicContact OD2-CZ 3.35Å; D255-R269 IonicContact OD2-NH1 3.74Å; D255-R269 PolarHBondContact OD2-NH1 3.29Å; D255-R269 IonicContact OD2-NH2 3.65Å; D255-R269 PolarHBondContact OD2-NH2 2.83Å; D255-S270 PolarHBondContact OD1-N 3.3Å; D255-G273 WeakPolarHBondContact OD2-CA 3.39Å
256M96.2Very high95Very high3 Ų334.7 Ų34.72%0.01518%0.176CC..THydrogen-bonded Turntrans69.414.7-170.3-60.4-67.3-70.500116.3P203 T254 I258 L267 W268 R269 V400 Y423 W424P203-M256 HydrophobicContact CG-CB 4.18Å; P203-M256 HydrophobicContact CG-CE 4.34Å; P203-M256 HydrophobicContact CG-CG 3.67Å; T254-M256 PolarHBondContact O-N 2.99Å; M256-I258 PolarHBondContact O-N 2.65Å; M256-L267 HydrophobicContact CB-CD1 4.43Å; M256-L267 HydrophobicContact CE-CD1 4.1Å; M256-L267 HydrophobicContact CE-CD2 4.35Å; M256-L267 HydrophobicContact SD-CD1 3.96Å; M256-L267 HydrophobicContact SD-CD2 4.02Å; M256-L267 HydrophobicContact SD-CG 4.46Å; M256-W268 WeakPolarHBondContact CA-O 3.42Å; M256-W268 PolarHBondContact N-O 2.87Å; M256-R269 PolarHBondContact SD-NH1 2.82Å; M256-V400 HydrophobicContact CE-CG1 3.94Å; M256-Y423 HydrophobicContact CE-CD1 3.95Å; M256-Y423 HydrophobicContact CE-CE1 3.22Å; M256-Y423 HydrophobicContact CE-CE2 4.38Å; M256-Y423 VanDerWaalsContact CE-CZ 3.48Å; M256-W424 HydrophobicContact CE-CZ2 4.14Å
257T98.1Very high95.4Very high0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans-62.8125.7171.9-61.30000110M198 L199 R200 L253 T254 D255 I259 W268M198-T257 HydrophobicContact CB-CG2 4.23Å; L199-T257 WeakPolarHBondContact O-CA 3.35Å; R200-T257 HydrophobicContact CG-CG2 3.73Å; L253-T257 HydrophobicContact CD2-CG2 3.55Å; T254-T257 PolarHBondContact N-OG1 3.49Å; T254-T257 VanDerWaalsContact O-CB 3.3Å; T254-T257 WeakPolarHBondContact O-CB 3.5Å; T254-T257 PolarHBondContact O-N 3.45Å; T254-T257 PolarHBondContact O-OG1 3.05Å; T254-T257 PolarHBondContact OG1-OG1 3.45Å; D255-T257 VanDerWaalsContact C-N 3.31Å; T257-I259 HydrophobicContact CG2-CG1 4.3Å; T257-W268 PolarHBondContact O-N 2.92Å
258I98Very high95.7Very high1 Ų128.6 Ų28.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-88.5137170.3-53-69.4000108.4M198 L199 W224 M256 T265 L266 L267 W424 L427 L429M198-I258 CarbonylContact C-O 3.57Å; M198-I258 WeakPolarHBondContact CA-O 3.37Å; L199-I258 HydrophobicContact CB-CB 4.19Å; L199-I258 PolarHBondContact N-O 3.23Å; L199-I258 PolarHBondContact O-N 3.24Å; W224-I258 HydrophobicContact CH2-CB 4.16Å; W224-I258 HydrophobicContact CH2-CG2 3.69Å; W224-I258 HydrophobicContact CZ3-CG2 4.42Å; M256-I258 PolarHBondContact O-N 2.65Å; I258-T265 HydrophobicContact CG2-CG2 3.35Å; I258-L266 CarbonylContact C-O 3.54Å; I258-L266 WeakPolarHBondContact CA-O 3.43Å; I258-L267 HydrophobicContact CD1-CD1 3.48Å; I258-L267 VanDerWaalsContact CD1-CD1 3.48Å; I258-W424 HydrophobicContact CD1-CH2 3.83Å; I258-W424 HydrophobicContact CD1-CZ3 4.02Å; I258-L427 HydrophobicContact CD1-CD2 4.1Å; I258-L427 HydrophobicContact CG1-CD2 4.04Å; I258-L429 HydrophobicContact CG1-CD2 4.43Å; I258-L429 HydrophobicContact CG2-CD2 4.08Å
259I98.1Very high96Very high0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans-121.7121.9174.7-54.2169.5000107.9L10 I150 L162 V196 M197 L253 T257 L261 T265 L266L10-I259 HydrophobicContact CD2-CD1 4.14Å; I150-I259 HydrophobicContact CD1-CD1 4.45Å; L162-I259 HydrophobicContact CD1-CD1 4.21Å; L162-I259 HydrophobicContact CD1-CG2 4.43Å; L162-I259 HydrophobicContact CD2-CD1 4.23Å; L162-I259 HydrophobicContact CD2-CG1 4.08Å; L162-I259 HydrophobicContact CD2-CG2 3.92Å; V196-I259 HydrophobicContact CG1-CG2 4.2Å; M197-I259 CarbonylContact O-C 3.59Å; M197-I259 VanDerWaalsContact O-CA 3.28Å; M197-I259 WeakPolarHBondContact O-CA 3.21Å; L253-I259 HydrophobicContact CD1-CD1 4.09Å; L253-I259 HydrophobicContact CD2-CD1 3.93Å; L253-I259 HydrophobicContact CD2-CG1 4.24Å; T257-I259 HydrophobicContact CG2-CG1 4.3Å; I259-L261 HydrophobicContact CG2-CD2 3.8Å; I259-L261 HydrophobicContact CG2-CG 4.29Å; I259-T265 CarbonylContact O-C 3.51Å; I259-T265 WeakPolarHBondContact O-CA 3.22Å; I259-L266 HydrophobicContact CB-CB 4.27Å; I259-L266 PolarHBondContact N-O 3.14Å; I259-L266 PolarHBondContact O-N 2.78Å
260D95.3Very high96Very high11 Ų1115.8 Ų15.86%0.0599%0.088CC..EExtended strand (participates in β ladder)trans-104.7125.3173.3-166.9-92000110.9M197 W224 C262 T265 L430M197-D260 HydrophobicContact CB-CB 4.13Å; M197-D260 PolarHBondContact N-O 2.6Å; M197-D260 PolarHBondContact O-N 2.69Å; W224-D260 HydrophobicContact CH2-CB 4.41Å; W224-D260 HydrophobicContact CZ3-CB 4.18Å; D260-C262 WeakPolarHBondContact OD1-CA 3.49Å; D260-C262 PolarHBondContact OD1-N 2.65Å; D260-T265 PolarHBondContact OD2-OG1 2.84Å; D260-L430 HydrophobicContact CB-CD1 4.08Å
261L94.9Very high95.7Very high3 Ų316.9 Ų16.92%0.0169%0.087CC..  trans-107.523.4-178.6-57-178.8000112.4I93 V105 V143 A147 C148 V196 I259 V264 L266I93-L261 HydrophobicContact CG2-CD1 3.97Å; V105-L261 HydrophobicContact CG2-CD1 4.31Å; V143-L261 HydrophobicContact CG1-CB 4.29Å; A147-L261 HydrophobicContact CB-CB 4.45Å; A147-L261 HydrophobicContact CB-CD1 4.02Å; A147-L261 HydrophobicContact CB-CD2 4.24Å; A147-L261 HydrophobicContact CB-CG 4.48Å; C148-L261 HydrophobicContact CB-CD2 4.14Å; V196-L261 HydrophobicContact CB-CD2 4.47Å; V196-L261 HydrophobicContact CG1-CD2 3.89Å; V196-L261 HydrophobicContact CG2-CD2 4.03Å; I259-L261 HydrophobicContact CG2-CD2 3.8Å; I259-L261 HydrophobicContact CG2-CG 4.29Å; L261-V264 PolarHBondContact N-O 2.88Å; L261-L266 HydrophobicContact CD1-CD1 3.78Å; L261-L266 HydrophobicContact CD1-CG 4.35Å
262C89.4Confident95.2Very high5 Ų519.8 Ų19.83%0.03411%0.108CC..SBendtrans59.471.2-177-170.90000111.8A142 V143 N194 R240 D260A142-C262 CarbonylContact C-O 3.51Å; A142-C262 WeakPolarHBondContact CB-O 3.47Å; V143-C262 WeakPolarHBondContact CG2-O 3.32Å; V143-C262 PolarHBondContact N-O 2.81Å; N194-C262 HydrophobicContact CB-CB 3.81Å; R240-C262 VanDerWaalsContact CZ-SG 3.53Å; R240-C262 PolarHBondContact NH2-SG 2.69Å; D260-C262 WeakPolarHBondContact OD1-CA 3.49Å; D260-C262 PolarHBondContact OD1-N 2.65Å
263G87.5Confident94.7Very high3 Ų318.1 Ų18.13%0.03110%0.103CC..SBendtrans123.6-24.6-179.600000113.8R432G263-R432 PolarHBondContact O-NH1 2.83Å; G263-R432 PolarHBondContact O-NH2 2.92Å
264V92.7Very high94.2Very high0 Ų019.3 Ų19.30%011%0.109CC..  trans-127.2127172169.40000108.2I12 V105 S106 E107 V143 L261 L266I12-V264 HydrophobicContact CG1-CG1 4.31Å; I12-V264 HydrophobicContact CG2-CG1 4.09Å; V105-V264 HydrophobicContact CB-CG1 4.14Å; V105-V264 HydrophobicContact CB-CG2 4.43Å; V105-V264 HydrophobicContact CG1-CG1 4.47Å; S106-V264 VanDerWaalsContact C-CG2 3.47Å; S106-V264 WeakPolarHBondContact O-CG2 3.31Å; E107-V264 HydrophobicContact CG-CG2 4.15Å; V143-V264 HydrophobicContact CG2-CB 3.9Å; V143-V264 HydrophobicContact CG2-CG2 3.66Å; L261-V264 PolarHBondContact N-O 2.88Å; V264-L266 HydrophobicContact CG1-CD2 3.51Å; V264-L266 HydrophobicContact CG1-CG 4.16Å
265T95.2Very high93.5Very high12 Ų1220.1 Ų20.17%0.07411%0.107CC..EExtended strand (participates in β ladder)trans-107.2124.7174.3-47.90000108.6L13 I258 I259 D260L13-T265 HydrophobicContact CD2-CG2 3.99Å; L13-T265 PolarHBondContact N-O 2.78Å; I258-T265 HydrophobicContact CG2-CG2 3.35Å; I259-T265 CarbonylContact O-C 3.51Å; I259-T265 WeakPolarHBondContact O-CA 3.22Å; D260-T265 PolarHBondContact OD2-OG1 2.84Å
266L97.5Very high92.6Very high0 Ų026.4 Ų26.40%013%0.128CC..EExtended strand (participates in β ladder)trans-107.6146.3179.4-50.9178.6000110.1L10 A11 I12 I93 F103 V105 I258 I259 L261 V264L10-L266 HydrophobicContact CD1-CD1 4.47Å; L10-L266 HydrophobicContact CD2-CB 4.41Å; L10-L266 HydrophobicContact CD2-CD1 4.46Å; A11-L266 CarbonylContact O-C 3.52Å; A11-L266 WeakPolarHBondContact O-CA 3.33Å; I12-L266 HydrophobicContact CB-CD2 4.29Å; I12-L266 HydrophobicContact CG1-CD2 3.52Å; I93-L266 HydrophobicContact CG2-CD1 4.06Å; F103-L266 HydrophobicContact CE1-CD2 4.02Å; V105-L266 HydrophobicContact CG1-CD2 4.21Å; I258-L266 CarbonylContact C-O 3.54Å; I258-L266 WeakPolarHBondContact CA-O 3.43Å; I259-L266 HydrophobicContact CB-CB 4.27Å; I259-L266 PolarHBondContact N-O 3.14Å; I259-L266 PolarHBondContact O-N 2.78Å; L261-L266 HydrophobicContact CD1-CD1 3.78Å; L261-L266 HydrophobicContact CD1-CG 4.35Å; V264-L266 HydrophobicContact CG1-CD2 3.51Å; V264-L266 HydrophobicContact CG1-CG 4.16Å
267L97.8Very high92Very high0 Ų026.3 Ų26.30%013%0.127CC..EExtended strand (participates in β ladder)trans-105.9124165.3-178.368.6000109.1L10 A11 L13 M256 I258 R269 A397 F398 W424L10-L267 WeakPolarHBondContact CA-O 3.47Å; A11-L267 PolarHBondContact N-O 2.93Å; A11-L267 PolarHBondContact O-N 3.43Å; L13-L267 HydrophobicContact CD1-CB 3.84Å; M256-L267 HydrophobicContact CB-CD1 4.43Å; M256-L267 HydrophobicContact CE-CD1 4.1Å; M256-L267 HydrophobicContact CE-CD2 4.35Å; M256-L267 HydrophobicContact SD-CD1 3.96Å; M256-L267 HydrophobicContact SD-CD2 4.02Å; M256-L267 HydrophobicContact SD-CG 4.46Å; I258-L267 HydrophobicContact CD1-CD1 3.48Å; I258-L267 VanDerWaalsContact CD1-CD1 3.48Å; L267-R269 HydrophobicContact CD2-CG 4.11Å; L267-R269 HydrophobicContact CG-CG 4.2Å; L267-A397 WeakPolarHBondContact CD2-O 3.26Å; L267-F398 HydrophobicContact CB-CD1 4.48Å; L267-F398 HydrophobicContact CB-CE1 4.27Å; L267-F398 HydrophobicContact CD2-CD1 3.61Å; L267-F398 HydrophobicContact CD2-CE1 4.19Å; L267-W424 HydrophobicContact CD1-CH2 4.39Å; L267-W424 HydrophobicContact CD2-CH2 4.43Å; L267-W424 HydrophobicContact CD2-CZ2 4.23Å
268W98.4Very high91.4Very high4 Ų426.4 Ų26.42%0.01513%0.128CC..EExtended strand (participates in β ladder)trans-85.9127.7166.6172.5-108.9000110.5E9 L10 L34 I152 A160 L253 M256 T257E9-W268 WeakPolarHBondContact O-CA 3.34Å; E9-W268 VanDerWaalsContact O-CE3 3.24Å; L10-W268 HydrophobicContact CD2-CB 4.15Å; L10-W268 HydrophobicContact CD2-CE3 3.8Å; L10-W268 HydrophobicContact CG-CE3 4.04Å; L10-W268 HydrophobicContact CG-CZ3 4.48Å; L34-W268 HydrophobicContact CD1-CH2 4.21Å; L34-W268 HydrophobicContact CD1-CZ3 3.69Å; L34-W268 HydrophobicContact CG-CZ3 4.28Å; I152-W268 HydrophobicContact CD1-CH2 3.98Å; A160-W268 HydrophobicContact CB-CH2 4.32Å; A160-W268 HydrophobicContact CB-CZ2 3.72Å; L253-W268 VanDerWaalsContact CB-CD1 3.5Å; L253-W268 HydrophobicContact CB-CD2 4.42Å; L253-W268 HydrophobicContact CB-CG 3.97Å; L253-W268 HydrophobicContact CD1-CD2 4.2Å; L253-W268 HydrophobicContact CD1-CG 4.16Å; L253-W268 PolarHBondContact O-NE1 3.15Å; M256-W268 WeakPolarHBondContact CA-O 3.42Å; M256-W268 PolarHBondContact N-O 2.87Å; T257-W268 PolarHBondContact O-N 2.92Å
269R96.6Very high90.8Very high7 Ų727.7 Ų27.73%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-117.8120.9172.3-63.7-65.3-65.8149.111108.9G8 E9 D255 M256 L267 G273 L274 T277 A397G8-R269 CarbonylContact C-O 3.49Å; G8-R269 WeakPolarHBondContact CA-O 3.4Å; E9-R269 PolarHBondContact N-O 3.12Å; E9-R269 PolarHBondContact O-N 2.93Å; D255-R269 WeakPolarHBondContact OD1-CA 3.42Å; D255-R269 IonicContact OD1-CZ 2.84Å; D255-R269 VanDerWaalsContact OD1-CZ 3.3Å; D255-R269 IonicContact OD1-NE 3.3Å; D255-R269 IonicContact OD1-NH1 3.65Å; D255-R269 PolarHBondContact OD1-NH1 3.08Å; D255-R269 IonicContact OD1-NH2 2.89Å; D255-R269 IonicContact OD2-CZ 3.35Å; D255-R269 IonicContact OD2-NH1 3.74Å; D255-R269 PolarHBondContact OD2-NH1 3.29Å; D255-R269 IonicContact OD2-NH2 3.65Å; D255-R269 PolarHBondContact OD2-NH2 2.83Å; M256-R269 PolarHBondContact SD-NH1 2.82Å; L267-R269 HydrophobicContact CD2-CG 4.11Å; L267-R269 HydrophobicContact CG-CG 4.2Å; R269-G273 PolarHBondContact NH2-O 3.22Å; R269-L274 HydrophobicContact CB-CD1 3.89Å; R269-L274 HydrophobicContact CB-CD2 3.68Å; R269-L274 HydrophobicContact CB-CG 3.71Å; R269-L274 HydrophobicContact CG-CD2 4.07Å; R269-T277 VanDerWaalsContact NH2-CG2 3.33Å; R269-A397 VanDerWaalsContact CD-O 3.25Å; R269-A397 WeakPolarHBondContact CD-O 3.46Å; R269-A397 HydrophobicContact CG-CB 3.99Å; R269-A397 PolarHBondContact NE-O 3.37Å
270S95Very high90.2Very high18 Ų1830.5 Ų30.513%0.12616%0.155CC..EExtended strand (participates in β ladder)trans-77.8157.4178.378.60000110.4D255 S272 G273 L274D255-S270 PolarHBondContact OD1-N 3.3Å; S270-S272 PolarHBondContact O-N 3.39Å; S270-S272 PolarHBondContact OG-N 2.79Å; S270-S272 PolarHBondContact OG-OG 3.15Å; S270-G273 PolarHBondContact O-N 3.34Å; S270-G273 VanDerWaalsContact O-N 3.15Å; S270-G273 PolarHBondContact OG-N 3.39Å; S270-L274 WeakPolarHBondContact O-CG 3.3Å; S270-L274 PolarHBondContact O-N 2.95Å
271R90.9Very high89.6Confident102 Ų10233.7 Ų33.739%0.38517%0.17SC..Hα-helixtrans-52.8-40.2170.8172.1168.8-179.7-171.94.2112.8F6 Y7F6-R271 HydrophobicContact CD1-CB 3.82Å; F6-R271 HydrophobicContact CD1-CG 3.79Å; F6-R271 HydrophobicContact CE1-CB 4.05Å; F6-R271 HydrophobicContact CE1-CG 4.31Å; F6-R271 WeakPolarHBondContact O-CD 3.49Å; F6-R271 PolarHBondContact O-NH1 3.15Å; Y7-R271 WeakPolarHBondContact O-CB 3.36Å; Y7-R271 PolarHBondContact O-N 2.98Å
272S87.6Confident89Confident78 Ų7833.8 Ų33.855%0.54517%0.17SC..Hα-helixtrans-70-37.9179.851.60000112.2S270 Y276S270-S272 PolarHBondContact O-N 3.39Å; S270-S272 PolarHBondContact OG-N 2.79Å; S270-S272 PolarHBondContact OG-OG 3.15Å; S272-Y276 VanDerWaalsContact O-CD2 3.3Å; S272-Y276 WeakPolarHBondContact O-CD2 3.39Å
273G87.8Confident88.9Confident11 Ų1133.5 Ų33.511%0.11317%0.169CC..Hα-helixtrans-69.9-39.7177.500000113.4D255 R269 S270 K275 Y276 T277D255-G273 WeakPolarHBondContact OD2-CA 3.39Å; R269-G273 PolarHBondContact NH2-O 3.22Å; S270-G273 PolarHBondContact O-N 3.34Å; S270-G273 VanDerWaalsContact O-N 3.15Å; S270-G273 PolarHBondContact OG-N 3.39Å; G273-K275 PolarHBondContact O-N 2.72Å; G273-Y276 PolarHBondContact O-N 3.14Å; G273-Y276 VanDerWaalsContact O-N 3.16Å; G273-T277 PolarHBondContact O-N 3.09Å
274L88.1Confident88.7Confident32 Ų3237.5 Ų37.517%0.16819%0.188CC..Hα-helixtrans-62.8-26.8178.7-72.7167.8000113.3F6 E9 R269 S270 Y276 T277F6-L274 HydrophobicContact CE1-CD1 3.85Å; F6-L274 HydrophobicContact CZ-CD1 3.66Å; E9-L274 HydrophobicContact CB-CD1 4.35Å; E9-L274 HydrophobicContact CG-CD1 3.71Å; R269-L274 HydrophobicContact CB-CD1 3.89Å; R269-L274 HydrophobicContact CB-CD2 3.68Å; R269-L274 HydrophobicContact CB-CG 3.71Å; R269-L274 HydrophobicContact CG-CD2 4.07Å; S270-L274 WeakPolarHBondContact O-CG 3.3Å; S270-L274 PolarHBondContact O-N 2.95Å; L274-Y276 PolarHBondContact O-N 3.4Å; L274-T277 HydrophobicContact CD2-CG2 4.06Å
275K82.4Confident88.3Confident86 Ų8639.7 Ų39.737%0.37420%0.197SC..THydrogen-bonded Turntrans-61.3-23.4176-75.5-175.2173.3-161.90114.1G273 R402 E485G273-K275 PolarHBondContact O-N 2.72Å; K275-R402 PolarHBondContact O-NH2 2.92Å; K275-E485 IonicContact NZ-OE1 2.99Å
276Y77.2Confident87.7Confident178 Ų17839.1 Ų39.170%0.69819%0.194SC*.THydrogen-bonded Turntrans-117.2-2.4-172.4-57.4-71.6000114.5S272 G273 L274S272-Y276 VanDerWaalsContact O-CD2 3.3Å; S272-Y276 WeakPolarHBondContact O-CD2 3.39Å; G273-Y276 PolarHBondContact O-N 3.14Å; G273-Y276 VanDerWaalsContact O-N 3.16Å; L274-Y276 PolarHBondContact O-N 3.4Å
277T83Confident87.2Confident1 Ų139.2 Ų39.21%0.00619%0.194CC..SBendtrans-98.4169.8174.7-1660000111.8R269 G273 L274 Y399 R402R269-T277 VanDerWaalsContact NH2-CG2 3.33Å; G273-T277 PolarHBondContact O-N 3.09Å; L274-T277 HydrophobicContact CD2-CG2 4.06Å; T277-Y399 VanDerWaalsContact OG1-C 3.22Å; T277-Y399 PolarHBondContact OG1-O 2.98Å; T277-R402 PolarHBondContact O-NE 3.19Å; T277-R402 PolarHBondContact O-NH2 3.15Å
278A86Confident86.6Confident2 Ų242.2 Ų42.22%0.01721%0.21CC..  trans-57.2146.3174.700000111.5D282 L283 M286 S396 Y399 D401A278-D282 HydrophobicContact CB-CB 4.47Å; A278-L283 HydrophobicContact CB-CD2 3.91Å; A278-M286 HydrophobicContact CB-CE 4.11Å; A278-S396 VanDerWaalsContact O-CB 3.27Å; A278-S396 WeakPolarHBondContact O-CB 3.2Å; A278-S396 PolarHBondContact O-OG 3.26Å; A278-Y399 HydrophobicContact CB-CD1 4.31Å; A278-Y399 HydrophobicContact CB-CG 4.01Å; A278-D401 PolarHBondContact N-O 3.31Å
279C85.9Confident85.7Confident28 Ų2842 Ų4219%0.18921%0.209CC..  trans-121.5169.8168.866.30000110.1E281 D282 L283 R477C279-E281 VanDerWaalsContact C-N 3.26Å; C279-E281 PolarHBondContact O-N 2.68Å; C279-E281 VanDerWaalsContact O-N 3.14Å; C279-E281 PolarHBondContact SG-OE2 3.38Å; C279-E281 VanDerWaalsContact SG-OE2 3.33Å; C279-D282 PolarHBondContact N-OD2 3.16Å; C279-D282 WeakPolarHBondContact O-CA 3.45Å; C279-D282 WeakPolarHBondContact O-CB 3.42Å; C279-D282 PolarHBondContact O-N 3.25Å; C279-D282 PolarHBondContact SG-OD2 2.87Å; C279-L283 PolarHBondContact O-N 3.39Å; C279-L283 VanDerWaalsContact O-N 3.11Å; C279-R477 PolarHBondContact SG-NH1 2.92Å
280P84.2Confident85.2Confident59 Ų5941.9 Ų41.938%0.38321%0.209SC..Hα-helixtrans-53.5-37.9-174-29.637.6000114.4D282 L283 M284P280-D282 VanDerWaalsContact C-N 3.35Å; P280-L283 PolarHBondContact O-N 2.86Å; P280-M284 PolarHBondContact O-N 3.08Å
281E83.1Confident84.9Confident78 Ų7842.5 Ų42.536%0.36421%0.211SC..Hα-helixtrans-71.4-30.2177.3-50.477-152.200113C279 L283 M284 K285 R477C279-E281 VanDerWaalsContact C-N 3.26Å; C279-E281 PolarHBondContact O-N 2.68Å; C279-E281 VanDerWaalsContact O-N 3.14Å; C279-E281 PolarHBondContact SG-OE2 3.38Å; C279-E281 VanDerWaalsContact SG-OE2 3.33Å; E281-L283 VanDerWaalsContact C-N 3.32Å; E281-M284 HydrophobicContact CB-CE 4.03Å; E281-M284 HydrophobicContact CG-CE 3.87Å; E281-M284 PolarHBondContact O-N 2.95Å; E281-K285 VanDerWaalsContact O-CG 3.32Å; E281-K285 WeakPolarHBondContact O-CG 3.3Å; E281-K285 PolarHBondContact O-N 2.84Å; E281-R477 IonicContact OE2-CZ 2.69Å; E281-R477 VanDerWaalsContact OE2-CZ 3.3Å; E281-R477 IonicContact OE2-NH1 3.55Å; E281-R477 PolarHBondContact OE2-NH1 3.18Å; E281-R477 IonicContact OE2-NH2 2.63Å; E281-R477 PolarHBondContact OE2-NH2 2.91Å
282D83.6Confident84.6Confident5 Ų541.6 Ų41.63%0.02721%0.211CC..Hα-helixtrans-66.5-39.4173.4-55.5-28000109.8A278 C279 P280 K285 M286 R402 R477A278-D282 HydrophobicContact CB-CB 4.47Å; C279-D282 PolarHBondContact N-OD2 3.16Å; C279-D282 WeakPolarHBondContact O-CA 3.45Å; C279-D282 WeakPolarHBondContact O-CB 3.42Å; C279-D282 PolarHBondContact O-N 3.25Å; C279-D282 PolarHBondContact SG-OD2 2.87Å; P280-D282 VanDerWaalsContact C-N 3.35Å; D282-K285 PolarHBondContact O-N 3.2Å; D282-M286 HydrophobicContact CB-CE 4.14Å; D282-M286 VanDerWaalsContact O-CG 3.31Å; D282-M286 WeakPolarHBondContact O-CG 3.2Å; D282-M286 PolarHBondContact O-N 3.16Å; D282-R402 IonicContact OD2-NE 3.05Å; D282-R477 IonicContact OD1-NH1 3.51Å; D282-R477 PolarHBondContact OD1-NH1 2.93Å
283L86.3Confident84.4Confident0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-64.1-41.4176.2-55.1-177.2000111.8A278 C279 P280 E281 K285 M286 I287 L309 M392 I394 Y399A278-L283 HydrophobicContact CB-CD2 3.91Å; C279-L283 PolarHBondContact O-N 3.39Å; C279-L283 VanDerWaalsContact O-N 3.11Å; P280-L283 PolarHBondContact O-N 2.86Å; E281-L283 VanDerWaalsContact C-N 3.32Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-M286 HydrophobicContact CD2-CE 4.18Å; L283-M286 HydrophobicContact CD2-SD 4.35Å; L283-M286 PolarHBondContact O-N 3.24Å; L283-I287 PolarHBondContact O-N 2.92Å; L283-I287 VanDerWaalsContact O-N 3.08Å; L283-L309 HydrophobicContact CB-CD1 4.18Å; L283-M392 HydrophobicContact CB-CE 4.4Å; L283-M392 HydrophobicContact CD2-CE 3.8Å; L283-I394 VanDerWaalsContact CD1-O 3.28Å; L283-I394 WeakPolarHBondContact CD1-O 3.21Å; L283-Y399 HydrophobicContact CD1-CE2 4.26Å; L283-Y399 HydrophobicContact CD2-CD1 4.41Å; L283-Y399 HydrophobicContact CD2-CD2 4.08Å; L283-Y399 HydrophobicContact CD2-CE1 4.02Å; L283-Y399 HydrophobicContact CD2-CE2 3.65Å; L283-Y399 HydrophobicContact CD2-CG 4.45Å
284M84Confident84.3Confident87 Ų8743.1 Ų43.143%0.42921%0.207SC..Hα-helixtrans-60.4-44173.4-71.1-171.2-71.900111.6P280 E281 I287 N288 L309P280-M284 PolarHBondContact O-N 3.08Å; E281-M284 HydrophobicContact CB-CE 4.03Å; E281-M284 HydrophobicContact CG-CE 3.87Å; E281-M284 PolarHBondContact O-N 2.95Å; M284-I287 PolarHBondContact O-N 2.89Å; M284-N288 VanDerWaalsContact O-CG 3.29Å; M284-N288 PolarHBondContact O-N 3.24Å; M284-L309 HydrophobicContact CG-CD1 3.66Å; M284-L309 HydrophobicContact CG-CG 4.43Å
285K82.7Confident84.4Confident45 Ų4542 Ų4220%0.19620%0.201CC..Hα-helixtrans-64.2-38.3176.3-73.1173.2171.8-162.80112.8E281 D282 L283 N288 G289 L474E281-K285 VanDerWaalsContact O-CG 3.32Å; E281-K285 WeakPolarHBondContact O-CG 3.3Å; E281-K285 PolarHBondContact O-N 2.84Å; D282-K285 PolarHBondContact O-N 3.2Å; L283-K285 VanDerWaalsContact C-N 3.34Å; K285-N288 PolarHBondContact O-N 2.96Å; K285-G289 PolarHBondContact O-N 2.87Å; K285-L474 HydrophobicContact CB-CD2 4.49Å
286M83.6Confident84.9Confident1 Ų140.1 Ų40.11%0.00519%0.193CC..Hα-helixtrans-61.5-44.5174.9-71.8178.3-14400111.5A278 D282 L283 G289 L290 M392 L474A278-M286 HydrophobicContact CB-CE 4.11Å; D282-M286 HydrophobicContact CB-CE 4.14Å; D282-M286 VanDerWaalsContact O-CG 3.31Å; D282-M286 WeakPolarHBondContact O-CG 3.2Å; D282-M286 PolarHBondContact O-N 3.16Å; L283-M286 HydrophobicContact CD2-CE 4.18Å; L283-M286 HydrophobicContact CD2-SD 4.35Å; L283-M286 PolarHBondContact O-N 3.24Å; M286-G289 PolarHBondContact O-N 3.05Å; M286-L290 WeakPolarHBondContact O-CG 3.28Å; M286-L290 PolarHBondContact O-N 3.02Å; M286-M392 HydrophobicContact CB-CE 4.03Å; M286-M392 HydrophobicContact SD-CE 3.69Å; M286-L474 HydrophobicContact CE-CD2 4.45Å; M286-L474 HydrophobicContact CG-CD2 4.02Å
287I86.5Confident85.6Confident1 Ų131.6 Ų31.61%0.00516%0.16CC..Hα-helixtrans-63.8-46.3176.6-68.2163.4000110.6L283 M284 G289 L290 N291 L306 L308 L309 M392L283-I287 PolarHBondContact O-N 2.92Å; L283-I287 VanDerWaalsContact O-N 3.08Å; M284-I287 PolarHBondContact O-N 2.89Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 3.28Å; I287-L290 PolarHBondContact O-N 3.09Å; I287-N291 WeakPolarHBondContact O-CB 3.26Å; I287-N291 PolarHBondContact O-N 2.88Å; I287-L306 HydrophobicContact CG2-CB 4.07Å; I287-L308 HydrophobicContact CG2-CD2 3.91Å; I287-L309 HydrophobicContact CD1-CD1 4.3Å; I287-L309 HydrophobicContact CD1-CD2 3.45Å; I287-L309 VanDerWaalsContact CD1-CD2 3.45Å; I287-L309 HydrophobicContact CD1-CG 3.52Å; I287-M392 HydrophobicContact CD1-CB 3.86Å; I287-M392 HydrophobicContact CD1-CG 3.9Å; I287-M392 HydrophobicContact CG1-CB 4.12Å; I287-M392 HydrophobicContact CG1-CG 4.02Å
288N85.4Confident85.9Confident64 Ų6433 Ų3334%0.34217%0.17SC..Hα-helixtrans-60.2-44.1178.5-71.9-14.6000111.8M284 K285 N291 Q292 L308M284-N288 VanDerWaalsContact O-CG 3.29Å; M284-N288 PolarHBondContact O-N 3.24Å; K285-N288 PolarHBondContact O-N 2.96Å; N288-N291 PolarHBondContact O-N 3.15Å; N288-Q292 WeakPolarHBondContact O-CB 3.5Å; N288-Q292 VanDerWaalsContact O-CG 3.26Å; N288-Q292 WeakPolarHBondContact O-CG 3.4Å; N288-Q292 PolarHBondContact O-N 3.46Å; N288-L308 WeakPolarHBondContact OD1-CD2 3.45Å
289G80.9Confident86Confident0 Ų035.7 Ų35.70%019%0.185CC..Hα-helixtrans-61.3-44.9176.200000112.6K285 M286 I287 N291 Q292 A293 I470K285-G289 PolarHBondContact O-N 2.87Å; M286-G289 PolarHBondContact O-N 3.05Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 3.28Å; G289-N291 VanDerWaalsContact C-N 3.32Å; G289-N291 PolarHBondContact O-N 2.95Å; G289-Q292 PolarHBondContact O-N 3.29Å; G289-A293 PolarHBondContact O-N 2.85Å; G289-I470 VanDerWaalsContact CA-CD1 3.46Å; G289-I470 WeakPolarHBondContact O-CD1 3.15Å
290L84.8Confident86.3Confident3 Ų337.1 Ų37.12%0.01619%0.191CC..Hα-helixtrans-62.5-38.2175.6-72172.1000112.3M286 I287 A293 I295 L306 L404 A405 I415 F457 F466M286-L290 WeakPolarHBondContact O-CG 3.28Å; M286-L290 PolarHBondContact O-N 3.02Å; I287-L290 PolarHBondContact O-N 3.09Å; L290-A293 PolarHBondContact O-N 2.98Å; L290-I295 HydrophobicContact CD2-CD1 4.36Å; L290-L306 HydrophobicContact CB-CD1 4.08Å; L290-L306 HydrophobicContact CD1-CD1 3.55Å; L290-L306 HydrophobicContact CG-CD1 4.46Å; L290-L404 HydrophobicContact CD2-CD1 4.05Å; L290-L404 HydrophobicContact CG-CD1 4.11Å; L290-A405 HydrophobicContact CD1-CB 4.36Å; L290-I415 HydrophobicContact CD1-CD1 4.1Å; L290-F457 HydrophobicContact CD2-CE2 4.15Å; L290-F457 HydrophobicContact CD2-CZ 4.4Å; L290-F466 HydrophobicContact CD2-CZ 3.83Å
291N88Confident86.5Confident31 Ų3143.7 Ų43.717%0.16621%0.209CC..Hα-helixtrans-70.3-34.7176.4-72.6-13.4000112.4I287 N288 G289 A293 H294 K305 L306I287-N291 WeakPolarHBondContact O-CB 3.26Å; I287-N291 PolarHBondContact O-N 2.88Å; N288-N291 PolarHBondContact O-N 3.15Å; G289-N291 VanDerWaalsContact C-N 3.32Å; G289-N291 PolarHBondContact O-N 2.95Å; N291-A293 VanDerWaalsContact C-N 3.3Å; N291-H294 PolarHBondContact O-N 2.65Å; N291-K305 WeakPolarHBondContact OD1-CA 3.33Å; N291-L306 PolarHBondContact ND2-O 3.18Å; N291-L306 PolarHBondContact OD1-N 2.99Å
292Q84.8Confident86.9Confident84 Ų8445.3 Ų45.339%0.39321%0.212SC..Hα-helixtrans-74.4-18.9175.9-74.61723.500113.2N288 G289 H294 L469N288-Q292 WeakPolarHBondContact O-CB 3.5Å; N288-Q292 VanDerWaalsContact O-CG 3.26Å; N288-Q292 WeakPolarHBondContact O-CG 3.4Å; N288-Q292 PolarHBondContact O-N 3.46Å; G289-Q292 PolarHBondContact O-N 3.29Å; Q292-H294 PolarHBondContact O-CD2 3.24Å; Q292-H294 PolarHBondContact O-N 2.99Å; Q292-L469 HydrophobicContact CB-CD2 4.42Å
293A84Confident87.3Confident3 Ų347 Ų473%0.02522%0.223CC..THydrogen-bonded Turntrans-73.4-0.5174.600000113.7G289 L290 N291 I295 L461 F466 L469G289-A293 PolarHBondContact O-N 2.85Å; L290-A293 PolarHBondContact O-N 2.98Å; N291-A293 VanDerWaalsContact C-N 3.3Å; A293-I295 HydrophobicContact CB-CG1 4.3Å; A293-I295 PolarHBondContact O-N 3.42Å; A293-I295 VanDerWaalsContact O-N 3.11Å; A293-L461 HydrophobicContact CB-CD1 4.36Å; A293-F466 HydrophobicContact CB-CD2 3.61Å; A293-F466 HydrophobicContact CB-CE2 3.31Å; A293-F466 HydrophobicContact CB-CZ 4.39Å; A293-L469 HydrophobicContact CB-CD2 4.2Å
294H86.7Confident87.7Confident117 Ų11747.2 Ų47.254%0.54222%0.224SC..THydrogen-bonded Turntrans49.740.7175.1-65-73.9000114.2N291 Q292 Q296 T303N291-H294 PolarHBondContact O-N 2.65Å; Q292-H294 PolarHBondContact O-CD2 3.24Å; Q292-H294 PolarHBondContact O-N 2.99Å; H294-Q296 WeakPolarHBondContact O-CG 3.49Å; H294-Q296 PolarHBondContact O-N 2.9Å; H294-Q296 PolarHBondContact O-NE2 2.82Å; H294-T303 HydrophobicContact CB-CG2 4.28Å
295I90.1Very high88.1Confident10 Ų1046.7 Ų46.75%0.05122%0.219CC..PPolyproline II helixtrans-54.1129.5-179.9-62163.3000109.4L290 A293 T303 L304 F457 Q458 F466L290-I295 HydrophobicContact CD2-CD1 4.36Å; A293-I295 HydrophobicContact CB-CG1 4.3Å; A293-I295 PolarHBondContact O-N 3.42Å; A293-I295 VanDerWaalsContact O-N 3.11Å; I295-T303 CarbonylContact O-C 3.52Å; I295-T303 WeakPolarHBondContact O-CA 3.4Å; I295-L304 HydrophobicContact CG2-CD1 4.1Å; I295-L304 PolarHBondContact O-N 3.44Å; I295-F457 HydrophobicContact CD1-CB 4.14Å; I295-F457 HydrophobicContact CD1-CD1 3.62Å; I295-F457 HydrophobicContact CD1-CD2 4.2Å; I295-F457 HydrophobicContact CD1-CE1 3.96Å; I295-F457 HydrophobicContact CD1-CG 3.73Å; I295-F457 HydrophobicContact CD1-CZ 4.39Å; I295-F457 HydrophobicContact CG1-CB 4.07Å; I295-F457 HydrophobicContact CG1-CD1 4.31Å; I295-F457 HydrophobicContact CG1-CG 4.22Å; I295-F457 HydrophobicContact CG2-CB 3.89Å; I295-F457 HydrophobicContact CG2-CD1 3.83Å; I295-F457 HydrophobicContact CG2-CG 4.23Å; I295-Q458 CarbonylContact C-O 3.5Å; I295-Q458 WeakPolarHBondContact CA-O 3.22Å; I295-F466 HydrophobicContact CD1-CE2 4.43Å; I295-F466 HydrophobicContact CG1-CE2 4.41Å
296Q91.5Very high88.4Confident45 Ų4545 Ų4521%0.2121%0.212CC..BIsolated β-bridgetrans-101.9147-176.5-61.6-64-36.100111.7H294 P298 R302 T303 Q458H294-Q296 WeakPolarHBondContact O-CG 3.49Å; H294-Q296 PolarHBondContact O-N 2.9Å; H294-Q296 PolarHBondContact O-NE2 2.82Å; Q296-P298 WeakPolarHBondContact O-CD 3.35Å; Q296-R302 CarbonylContact C-O 3.55Å; Q296-R302 WeakPolarHBondContact CA-O 3.49Å; Q296-R302 PolarHBondContact OE1-O 2.75Å; Q296-T303 PolarHBondContact NE2-OG1 2.94Å; Q296-Q458 PolarHBondContact N-O 2.93Å
297C93.6Very high88.4Confident0 Ų046.9 Ų46.90%023%0.225CC..PPolyproline II helixtrans-77.6120.1158.5-179.40000109.3V299 L300 Y301 R302 L304 G362C297-V299 PolarHBondContact O-N 2.8Å; C297-V299 VanDerWaalsContact O-N 3.16Å; C297-L300 HydrophobicContact CB-CB 4.03Å; C297-L300 PolarHBondContact O-N 2.96Å; C297-L300 PolarHBondContact SG-N 3.01Å; C297-L300 VanDerWaalsContact SG-N 3.4Å; C297-Y301 WeakPolarHBondContact O-CA 3.45Å; C297-Y301 PolarHBondContact O-N 3.29Å; C297-R302 PolarHBondContact N-O 2.97Å; C297-L304 HydrophobicContact CB-CD2 4.06Å; C297-L304 HydrophobicContact CB-CG 4.48Å; C297-G362 PolarHBondContact SG-N 2.89Å
298P88.9Confident87.7Confident31 Ų3150.8 Ų50.820%0.20125%0.245CC..THydrogen-bonded Turntrans-68.2-15.6-178.719.3-25.9000114.4Q296 L380 Q458Q296-P298 WeakPolarHBondContact O-CD 3.35Å; P298-L380 HydrophobicContact CB-CD2 4.13Å; P298-L380 HydrophobicContact CG-CD1 3.85Å; P298-L380 HydrophobicContact CG-CD2 4.16Å; P298-L380 HydrophobicContact CG-CG 4.34Å; P298-Q458 HydrophobicContact CB-CG 4.1Å; P298-Q458 HydrophobicContact CG-CG 3.74Å
299V88.8Confident86.6Confident58 Ų5849.4 Ų49.435%0.35224%0.237SC..THydrogen-bonded Turntrans-97.4-40.2179.4176.80000111.8C297 P379C297-V299 PolarHBondContact O-N 2.8Å; C297-V299 VanDerWaalsContact O-N 3.16Å; V299-P379 HydrophobicContact CG2-CB 4.03Å; V299-P379 HydrophobicContact CG2-CG 4.04Å
300L90.1Very high85.3Confident58 Ų5851.8 Ų51.830%0.30425%0.253SS..THydrogen-bonded Turntrans-94.7-13-174.4-59179.9000113.1C297 R302 D348 W363 H364C297-L300 HydrophobicContact CB-CB 4.03Å; C297-L300 PolarHBondContact O-N 2.96Å; C297-L300 PolarHBondContact SG-N 3.01Å; C297-L300 VanDerWaalsContact SG-N 3.4Å; L300-R302 HydrophobicContact CB-CB 4.32Å; L300-R302 HydrophobicContact CB-CG 4.06Å; L300-R302 PolarHBondContact O-N 3.19Å; L300-D348 HydrophobicContact CD1-CB 3.94Å; L300-W363 WeakPolarHBondContact CD1-O 3.35Å; L300-H364 HydrophobicContact CD1-CB 4.27Å; L300-H364 HydrophobicContact CD2-CB 4.36Å
301Y89.5Confident83.3Confident196 Ų19660.2 Ų60.277%0.76929%0.292SS*.  trans51.940.1-172.4-55.9-84.5000112.1C297C297-Y301 WeakPolarHBondContact O-CA 3.45Å; C297-Y301 PolarHBondContact O-N 3.29Å
302R91Very high80.6Confident113 Ų11364.3 Ų64.343%0.42632%0.323SS..  trans-113.1136.9178.1-69-172-178.3-122.4-2.3110.2Q296 C297 L300 L304 D348Q296-R302 CarbonylContact C-O 3.55Å; Q296-R302 WeakPolarHBondContact CA-O 3.49Å; Q296-R302 PolarHBondContact OE1-O 2.75Å; C297-R302 PolarHBondContact N-O 2.97Å; L300-R302 HydrophobicContact CB-CB 4.32Å; L300-R302 HydrophobicContact CB-CG 4.06Å; L300-R302 PolarHBondContact O-N 3.19Å; R302-L304 PolarHBondContact O-N 3.31Å; R302-D348 VanDerWaalsContact CD-CG 3.42Å; R302-D348 IonicContact CZ-OD1 3.88Å; R302-D348 IonicContact CZ-OD2 2.83Å; R302-D348 IonicContact NE-OD2 3.05Å; R302-D348 PolarHBondContact NE-OD2 3.29Å; R302-D348 VanDerWaalsContact NE-OD2 3.11Å; R302-D348 VanDerWaalsContact NH1-CG 3.3Å; R302-D348 IonicContact NH1-OD1 3.23Å; R302-D348 PolarHBondContact NH1-OD1 3.29Å; R302-D348 IonicContact NH1-OD2 2.78Å; R302-D348 PolarHBondContact NH1-OD2 2.9Å; R302-D348 IonicContact NH2-OD2 3.43Å; R302-D348 PolarHBondContact NH2-OD2 3.2Å
303T92.3Very high77.9Confident41 Ų4165.2 Ų65.225%0.25234%0.335SS..BIsolated β-bridgetrans-68.1126169.2-54.50000110.1H294 I295 Q296 Q349H294-T303 HydrophobicContact CB-CG2 4.28Å; I295-T303 CarbonylContact O-C 3.52Å; I295-T303 WeakPolarHBondContact O-CA 3.4Å; Q296-T303 PolarHBondContact NE2-OG1 2.94Å; T303-Q349 WeakPolarHBondContact O-CG 3.33Å
304L94.1Very high75.2Confident4 Ų473.6 Ų73.62%0.02137%0.373CS..  trans-86145.7178.8-54.9-177.5000110.8I295 C297 R302 Q349 P351 V360 H361I295-L304 HydrophobicContact CG2-CD1 4.1Å; I295-L304 PolarHBondContact O-N 3.44Å; C297-L304 HydrophobicContact CB-CD2 4.06Å; C297-L304 HydrophobicContact CB-CG 4.48Å; R302-L304 PolarHBondContact O-N 3.31Å; L304-Q349 CarbonylContact C-O 3.57Å; L304-Q349 WeakPolarHBondContact CA-O 3.03Å; L304-P351 HydrophobicContact CB-CB 4.48Å; L304-P351 HydrophobicContact CB-CG 4.07Å; L304-P351 HydrophobicContact CD1-CB 4.32Å; L304-V360 HydrophobicContact CD1-CG1 3.93Å; L304-H361 VanDerWaalsContact CD1-C 3.49Å; L304-H361 WeakPolarHBondContact CD1-O 3.26Å
305K92.5Very high72.4Confident75 Ų7575.5 Ų75.533%0.32638%0.38SS..  trans-136123.6178.6-68.2-173.3176.1-173.80110.4N291 I345 Q349 P351N291-K305 WeakPolarHBondContact OD1-CA 3.33Å; K305-I345 HydrophobicContact CB-CD1 4.04Å; K305-I345 HydrophobicContact CB-CG1 4.04Å; K305-I345 HydrophobicContact CB-CG2 4.35Å; K305-Q349 PolarHBondContact N-O 2.73Å; K305-P351 WeakPolarHBondContact O-CD 3.48Å
306L89Confident69.3Low9 Ų979.1 Ų79.15%0.04741%0.406CS..PPolyproline II helixtrans-71.4135.1166.8-75.6168.5000109.4I287 L290 N291 L308 P351 L390 I415I287-L306 HydrophobicContact CG2-CB 4.07Å; L290-L306 HydrophobicContact CB-CD1 4.08Å; L290-L306 HydrophobicContact CD1-CD1 3.55Å; L290-L306 HydrophobicContact CG-CD1 4.46Å; N291-L306 PolarHBondContact ND2-O 3.18Å; N291-L306 PolarHBondContact OD1-N 2.99Å; L306-L308 PolarHBondContact O-N 3.46Å; L306-P351 HydrophobicContact CD2-CB 4.49Å; L306-P351 HydrophobicContact CD2-CG 3.83Å; L306-P351 HydrophobicContact CG-CG 4Å; L306-L390 HydrophobicContact CD2-CB 4.33Å; L306-I415 HydrophobicContact CD1-CD1 3.6Å; L306-I415 HydrophobicContact CD2-CD1 4.25Å
307P83.7Confident66.2Low42 Ų4283.1 Ų83.127%0.27344%0.436SS..PPolyproline II helixtrans-54.7131.2171.3-24.433.5000110.9I345 M350P307-I345 VanDerWaalsContact CA-CD1 3.43Å; P307-I345 HydrophobicContact CB-CD1 4.14Å; P307-I345 HydrophobicContact CG-CD1 4.04Å; P307-M350 VanDerWaalsContact CD-SD 3.55Å; P307-M350 HydrophobicContact CG-CE 3.87Å; P307-M350 HydrophobicContact CG-SD 3.61Å
308L71.4Confident62.9Low82 Ų8289.7 Ų89.743%0.42947%0.466SS..PPolyproline II helixtrans-59.1143.5167.2-62.8178.7000108.5I287 N288 L306I287-L308 HydrophobicContact CG2-CD2 3.91Å; N288-L308 WeakPolarHBondContact OD1-CD2 3.45Å; L306-L308 PolarHBondContact O-N 3.46Å
309L63.8Low60Low35 Ų3592.8 Ų92.818%0.18349%0.489CS..PPolyproline II helixtrans-50.1131.2179.5-62.1179.4000109L283 M284 I287 Q311 M392 I394L283-L309 HydrophobicContact CB-CD1 4.18Å; M284-L309 HydrophobicContact CG-CD1 3.66Å; M284-L309 HydrophobicContact CG-CG 4.43Å; I287-L309 HydrophobicContact CD1-CD1 4.3Å; I287-L309 HydrophobicContact CD1-CD2 3.45Å; I287-L309 VanDerWaalsContact CD1-CD2 3.45Å; I287-L309 HydrophobicContact CD1-CG 3.52Å; L309-Q311 PolarHBondContact O-N 3.02Å; L309-M392 HydrophobicContact CD2-CB 4.45Å; L309-I394 HydrophobicContact CD2-CB 3.74Å; L309-I394 HydrophobicContact CD2-CG2 3.18Å
310P53.4Low57Low51 Ų5196.2 Ų96.233%0.33151%0.505SS..  trans-58.5113.8175.618.7-26000108S312 F315P310-S312 PolarHBondContact O-N 3.29Å; P310-F315 HydrophobicContact CG-CE2 4.23Å
311Q41.9Very low54Low180 Ų18099.9 Ų99.984%0.84152%0.524SS*.SBendtrans-64.880.2152.4-64.3-173.526.500105.2L309 T313L309-Q311 PolarHBondContact O-N 3.02Å; Q311-T313 PolarHBondContact O-N 2.67Å
312S31.9Very low50.9Low116 Ų11696.1 Ų96.181%0.81152%0.521SS*.SBendtrans43.272.7176.760.70000115.5P310P310-S312 PolarHBondContact O-N 3.29Å
313T28.8Very low47.7Very low104 Ų10497.5 Ų97.564%0.63854%0.537SS*.  trans-141.4138.3168.245.40000112.7Q311Q311-T313 PolarHBondContact O-N 2.67Å
314H26.7Very low44.5Very low178 Ų178103 Ų10382%0.82456%0.563SS**PPolyproline II helixtrans-57.3122.5176.8-111-104.6000111.2
315F27Very low41.3Very low158 Ų158111.2 Ų111.269%0.69360%0.601SS**PPolyproline II helixtrans-83.7116.1161.6-81-79.4000109P310P310-F315 HydrophobicContact CG-CE2 4.23Å
316S25.3Very low38.1Very low85 Ų85115 Ų11559%0.59463%0.625SS**PPolyproline II helixtrans-86125.4156.61800000107.8H318S316-H318 PolarHBondContact O-N 3.34Å
317P25.9Very low35.2Very low129 Ų129122.6 Ų122.684%0.83867%0.666SS**  trans-70.1-4.4177-17.531.1000114.6S319P317-S319 PolarHBondContact O-N 3.24Å
318H25.8Very low32.5Very low138 Ų138128.4 Ų128.464%0.63970%0.695SS**  trans-86.798.8-179-78.4-66.6000112.5S316 D320S316-H318 PolarHBondContact O-N 3.34Å; H318-D320 IonicContact ND1-OD2 3.11Å
319S26.2Very low30.5Very low97 Ų97127.9 Ų127.968%0.67871%0.709SS**  trans-13165.4143.450.30000108.4P317 I321P317-S319 PolarHBondContact O-N 3.24Å; S319-I321 PolarHBondContact O-N 2.92Å
320D25.7Very low28.8Very low130 Ų130133.9 Ų133.970%0.69574%0.739SS**  trans-68113.8157-72.9-47.1000106.9H318 V322H318-D320 IonicContact ND1-OD2 3.11Å; D320-V322 PolarHBondContact O-N 3.1Å
321I27.4Very low27.5Very low135 Ų135139.1 Ų139.169%0.69276%0.764SS**  trans-63.595.8178.3-63.8163.3000107.5S319S319-I321 PolarHBondContact O-N 2.92Å
322V25.6Very low26.9Very low116 Ų116138.4 Ų138.470%0.70377%0.766SS**  trans-90.8111.4158.6-179.80000106.2D320 I324D320-V322 PolarHBondContact O-N 3.1Å; V322-I324 PolarHBondContact O-N 3.01Å; V322-I324 VanDerWaalsContact O-N 3.13Å
323N22.7Very low26.7Very low143 Ų143140.3 Ų140.377%0.76577%0.767SS**  trans-49.2115169.6-71.1-33.9000109.6
324I26.7Very low26.7Very low156 Ų156142.2 Ų142.280%0.877%0.773SS**  trans-114.1107.4165.6-61.8179.1000106.8V322V322-I324 PolarHBondContact O-N 3.01Å; V322-I324 VanDerWaalsContact O-N 3.13Å
325E25.7Very low26.7Very low177 Ų177137.9 Ų137.983%0.82776%0.763SS**  trans-62.2138.1172.2-64.8176.1148.200110.8
326N24.9Very low26.8Very low155 Ų155135.3 Ų135.383%0.82977%0.771SS**  trans8.4110.3155.8-74.1-20.1000117.5
327N29.8Very low26.9Very low167 Ų167139.2 Ų139.289%0.89378%0.784SS**  trans-134111.2148.6-120.4-12.3000110.3G329N327-G329 PolarHBondContact O-N 3.42Å
328N26.1Very low27Very low165 Ų165138.1 Ų138.188%0.88278%0.78SS**  trans-65.2119.7173-74.9-34.1000109.6
329G28.9Very low27.1Very low71 Ų71140.1 Ų140.173%0.73279%0.787SS**  trans-153.585179.900000112.9N327N327-G329 PolarHBondContact O-N 3.42Å
330I28.8Very low27.5Very low160 Ų160143.4 Ų143.482%0.82180%0.796SS**  trans11111.4150.5-52.5177.2000117.9
331L25.1Very low28.1Very low161 Ų161144.9 Ų144.984%0.84380%0.798SS**  trans7.4116.6142.3-66.4157.9000118.1
332N30.3Very low28.9Very low166 Ų166142.6 Ų142.689%0.88879%0.794SS**  trans-130.6128.6147.3-82.9-28.6000108.9
333D27.8Very low30.3Very low155 Ų155141.4 Ų141.483%0.82978%0.784SS**  trans-85.9109.9-176-176.517.2000109
334D29.5Very low32.4Very low145 Ų145143 Ų14378%0.77579%0.787SS**  trans-142.797.6167.7-91.1-35000110.7
335S26.6Very low34.9Very low87 Ų87137.6 Ų137.661%0.60876%0.759SS**  trans45.494.5139.773.70000119L337S335-L337 PolarHBondContact O-N 3.17Å
336A28.8Very low37.6Very low104 Ų104130.9 Ų130.986%0.8673%0.732SS**SBend40.23.9122.500000123.7
337L27.3Very low40.3Very low167 Ų167126.8 Ų126.887%0.87471%0.714SS**  trans-107.90.5175.6-149.774.9000113.8S335S335-L337 PolarHBondContact O-N 3.17Å
338S26.7Very low42.9Very low106 Ų106120.5 Ų120.574%0.74168%0.68SS**  trans-9710-17854.50000114.9
339K28.6Very low45.9Very low180 Ų180115 Ų11578%0.78365%0.649SS**  trans-98.615.2-175.1-101.4-171.7-178.8-174.60116.2E341K339-E341 PolarHBondContact O-N 3.06Å
340L35.1Very low48.9Very low166 Ų166112.8 Ų112.887%0.86962%0.62SS**SBendtrans-70.686.9149.2-74.4167.8000104.7S342L340-S342 PolarHBondContact O-N 3.23Å
341E37.1Very low52.1Low160 Ų160105.5 Ų105.575%0.74858%0.583SS**  trans-47.495.4167.5-72.4172167.200106.1K339 D343K339-E341 PolarHBondContact O-N 3.06Å; E341-D343 PolarHBondContact O-N 3.43Å
342S45.3Very low55.4Low87 Ų87100.1 Ų100.161%0.60855%0.552SS**  trans-57.4105.2156.257.40000102.3L340 Q344L340-S342 PolarHBondContact O-N 3.23Å; S342-Q344 PolarHBondContact O-N 3.32Å
343D54.6Low58.6Low92 Ų9292.2 Ų92.249%0.49251%0.51SS..  trans-5092.6174.3-90.8-44.3000106.8E341 I345E341-D343 PolarHBondContact O-N 3.43Å; D343-I345 PolarHBondContact O-N 2.63Å
344Q67.5Low61.9Low176 Ų17684.9 Ų84.982%0.82247%0.47SS*.  trans-75.389.1-179-79.8-168.6-1.400105.5S342 S346S342-Q344 PolarHBondContact O-N 3.32Å; Q344-S346 PolarHBondContact O-N 2.89Å
345I78.1Confident65.1Low42 Ų4278 Ų7822%0.21543%0.434CS..  trans-67.3115.2174.3-63.6165.5000106.5K305 P307 D343 Q349K305-I345 HydrophobicContact CB-CD1 4.04Å; K305-I345 HydrophobicContact CB-CG1 4.04Å; K305-I345 HydrophobicContact CB-CG2 4.35Å; P307-I345 VanDerWaalsContact CA-CD1 3.43Å; P307-I345 HydrophobicContact CB-CD1 4.14Å; P307-I345 HydrophobicContact CG-CD1 4.04Å; D343-I345 PolarHBondContact O-N 2.63Å; I345-Q349 HydrophobicContact CG2-CB 3.74Å
346S83.6Confident68.4Low37 Ų3776.2 Ų76.226%0.25942%0.421SS..  trans-64150.9174.556.10000109.9Q344 D348 Q349 M350Q344-S346 PolarHBondContact O-N 2.89Å; S346-D348 WeakPolarHBondContact CB-OD1 3.38Å; S346-D348 PolarHBondContact O-N 2.73Å; S346-D348 VanDerWaalsContact O-N 3.07Å; S346-D348 PolarHBondContact OG-OD1 3.31Å; S346-Q349 WeakPolarHBondContact O-CA 3.12Å; S346-Q349 WeakPolarHBondContact O-CB 3.12Å; S346-Q349 PolarHBondContact O-N 3.08Å; S346-Q349 VanDerWaalsContact OG-CG 3.24Å; S346-Q349 WeakPolarHBondContact OG-CG 3.36Å; S346-Q349 PolarHBondContact OG-OE1 3.06Å; S346-M350 PolarHBondContact O-N 3.43Å
347P81.2Confident71.7Confident69 Ų6972.4 Ų72.445%0.44839%0.388SS..G310 helixtrans-53.4-35.2-178-29.235.5000113.7Q349 M350 W363P347-Q349 VanDerWaalsContact C-N 3.31Å; P347-Q349 PolarHBondContact O-N 2.69Å; P347-M350 VanDerWaalsContact O-CB 3.28Å; P347-M350 WeakPolarHBondContact O-CB 3.3Å; P347-M350 PolarHBondContact O-N 2.87Å; P347-W363 HydrophobicContact CB-CE3 4.41Å; P347-W363 WeakPolarHBondContact O-CB 3.2Å
348D83.8Confident75Confident35 Ų3564.4 Ų64.419%0.18735%0.346CS..G310 helixtrans-75.8-11.9178.158.317000115.1L300 R302 S346 G362L300-D348 HydrophobicContact CD1-CB 3.94Å; R302-D348 VanDerWaalsContact CD-CG 3.42Å; R302-D348 IonicContact CZ-OD1 3.88Å; R302-D348 IonicContact CZ-OD2 2.83Å; R302-D348 IonicContact NE-OD2 3.05Å; R302-D348 PolarHBondContact NE-OD2 3.29Å; R302-D348 VanDerWaalsContact NE-OD2 3.11Å; R302-D348 VanDerWaalsContact NH1-CG 3.3Å; R302-D348 IonicContact NH1-OD1 3.23Å; R302-D348 PolarHBondContact NH1-OD1 3.29Å; R302-D348 IonicContact NH1-OD2 2.78Å; R302-D348 PolarHBondContact NH1-OD2 2.9Å; R302-D348 IonicContact NH2-OD2 3.43Å; R302-D348 PolarHBondContact NH2-OD2 3.2Å; S346-D348 WeakPolarHBondContact CB-OD1 3.38Å; S346-D348 PolarHBondContact O-N 2.73Å; S346-D348 VanDerWaalsContact O-N 3.07Å; S346-D348 PolarHBondContact OG-OD1 3.31Å; D348-G362 WeakPolarHBondContact O-CA 3.44Å
349Q90.1Very high78.4Confident49 Ų4960.9 Ų60.923%0.22932%0.318CS..G310 helixtrans-91-14.6168.1-69.2179.3-35.400112.1T303 L304 K305 I345 S346 P347 P351T303-Q349 WeakPolarHBondContact O-CG 3.33Å; L304-Q349 CarbonylContact C-O 3.57Å; L304-Q349 WeakPolarHBondContact CA-O 3.03Å; K305-Q349 PolarHBondContact N-O 2.73Å; I345-Q349 HydrophobicContact CG2-CB 3.74Å; S346-Q349 WeakPolarHBondContact O-CA 3.12Å; S346-Q349 WeakPolarHBondContact O-CB 3.12Å; S346-Q349 PolarHBondContact O-N 3.08Å; S346-Q349 VanDerWaalsContact OG-CG 3.24Å; S346-Q349 WeakPolarHBondContact OG-CG 3.36Å; S346-Q349 PolarHBondContact OG-OE1 3.06Å; P347-Q349 VanDerWaalsContact C-N 3.31Å; P347-Q349 PolarHBondContact O-N 2.69Å; Q349-P351 WeakPolarHBondContact O-CD 3.45Å
350M92.3Very high81.6Confident25 Ų2552.3 Ų52.312%0.12328%0.281CS..SBendtrans-67.9126.3178-174.364.1-176.900109.8P307 S346 P347 Y352 G362 W363 P389 L390P307-M350 VanDerWaalsContact CD-SD 3.55Å; P307-M350 HydrophobicContact CG-CE 3.87Å; P307-M350 HydrophobicContact CG-SD 3.61Å; S346-M350 PolarHBondContact O-N 3.43Å; P347-M350 VanDerWaalsContact O-CB 3.28Å; P347-M350 WeakPolarHBondContact O-CB 3.3Å; P347-M350 PolarHBondContact O-N 2.87Å; M350-Y352 HydrophobicContact CB-CD2 4.33Å; M350-Y352 HydrophobicContact CB-CE2 3.96Å; M350-Y352 HydrophobicContact CG-CD2 4.11Å; M350-Y352 HydrophobicContact CG-CE2 3.64Å; M350-Y352 WeakPolarHBondContact O-CD2 3.43Å; M350-Y352 PolarHBondContact O-N 3.05Å; M350-G362 WeakPolarHBondContact O-CA 3.27Å; M350-W363 PolarHBondContact O-N 3.38Å; M350-P389 HydrophobicContact CE-CB 4.24Å; M350-L390 WeakPolarHBondContact CE-O 3.16Å
351P94.9Very high84.4Confident7 Ų744.4 Ų44.45%0.04524%0.239CC..EExtended strand (participates in β ladder)trans-69.5126177.6-1323.4000111.3L304 K305 L306 Q349 V360 H361 L390L304-P351 HydrophobicContact CB-CB 4.48Å; L304-P351 HydrophobicContact CB-CG 4.07Å; L304-P351 HydrophobicContact CD1-CB 4.32Å; K305-P351 WeakPolarHBondContact O-CD 3.48Å; L306-P351 HydrophobicContact CD2-CB 4.49Å; L306-P351 HydrophobicContact CD2-CG 3.83Å; L306-P351 HydrophobicContact CG-CG 4Å; Q349-P351 WeakPolarHBondContact O-CD 3.45Å; P351-V360 HydrophobicContact CB-CG1 3.99Å; P351-H361 CarbonylContact C-O 3.59Å; P351-H361 WeakPolarHBondContact CA-O 3.38Å; P351-L390 HydrophobicContact CB-CB 4.31Å; P351-L390 HydrophobicContact CB-CD1 4.21Å; P351-L390 PolarHBondContact O-N 2.81Å
352Y95.4Very high87.1Confident48 Ų4836.8 Ų36.819%0.18820%0.204CC..EExtended strand (participates in β ladder)trans-119.8149.1171.2-81.5-117.9000109.4M350 V360 H361 W363 F387 I388 P389M350-Y352 HydrophobicContact CB-CD2 4.33Å; M350-Y352 HydrophobicContact CB-CE2 3.96Å; M350-Y352 HydrophobicContact CG-CD2 4.11Å; M350-Y352 HydrophobicContact CG-CE2 3.64Å; M350-Y352 WeakPolarHBondContact O-CD2 3.43Å; M350-Y352 PolarHBondContact O-N 3.05Å; Y352-V360 CarbonylContact O-C 3.51Å; Y352-V360 WeakPolarHBondContact O-CA 3.34Å; Y352-H361 PolarHBondContact N-O 2.61Å; Y352-H361 PolarHBondContact O-N 3.4Å; Y352-H361 VanDerWaalsContact O-O 3.09Å; Y352-W363 HydrophobicContact CD2-CB 3.8Å; Y352-W363 AromaticContact CE1-CD1 3.55Å; Y352-W363 HydrophobicContact CE1-CG 4.47Å; Y352-W363 HydrophobicContact CE2-CB 3.64Å; Y352-W363 AromaticContact CE2-CD1 3.95Å; Y352-W363 HydrophobicContact CE2-CG 4.16Å; Y352-W363 HydrophobicContact CG-CB 4.39Å; Y352-W363 AromaticContact CZ-CD1 3.48Å; Y352-W363 VanDerWaalsContact CZ-CD1 3.48Å; Y352-F387 HydrophobicContact CD1-CD1 4.07Å; Y352-F387 AromaticContact CD1-CE1 3.97Å; Y352-F387 HydrophobicContact CD1-CE1 3.97Å; Y352-F387 HydrophobicContact CD1-CG 4.43Å; Y352-F387 HydrophobicContact CD1-CZ 4.25Å; Y352-F387 HydrophobicContact CG-CE1 4.15Å; Y352-F387 HydrophobicContact CG-CE2 4.37Å; Y352-F387 HydrophobicContact CG-CZ 4.01Å; Y352-I388 CarbonylContact C-O 3.5Å; Y352-I388 WeakPolarHBondContact CA-O 3.26Å; Y352-P389 HydrophobicContact CD1-CB 4.3Å; Y352-P389 HydrophobicContact CD2-CB 4.19Å; Y352-P389 HydrophobicContact CE1-CB 3.9Å; Y352-P389 VanDerWaalsContact CE1-CD 3.5Å; Y352-P389 HydrophobicContact CE1-CG 4.13Å; Y352-P389 HydrophobicContact CE2-CB 3.78Å; Y352-P389 HydrophobicContact CG-CB 4.42Å
353V97.2Very high89.4Confident0 Ų037.2 Ų37.20%019%0.192CC..EExtended strand (participates in β ladder)trans-120.3139.8179.467.20000110.9V355 H359 V360 F387 I388 L390 L455V353-V355 VanDerWaalsContact C-N 3.34Å; V353-V355 HydrophobicContact CG1-CB 4.2Å; V353-V355 PolarHBondContact O-N 2.84Å; V353-H359 WeakPolarHBondContact CA-O 3.26Å; V353-V360 HydrophobicContact CB-CG2 4.48Å; V353-V360 HydrophobicContact CG2-CG2 4.27Å; V353-F387 WeakPolarHBondContact O-CA 3.4Å; V353-I388 HydrophobicContact CG1-CD1 4.2Å; V353-I388 HydrophobicContact CG1-CG1 3.67Å; V353-I388 PolarHBondContact N-O 2.77Å; V353-I388 PolarHBondContact O-N 3.19Å; V353-I388 VanDerWaalsContact O-N 3.12Å; V353-L390 HydrophobicContact CB-CD1 4.32Å; V353-L390 HydrophobicContact CB-CD2 3.78Å; V353-L390 HydrophobicContact CB-CG 4.07Å; V353-L390 HydrophobicContact CG1-CD2 3.38Å; V353-L390 HydrophobicContact CG1-CG 4.1Å; V353-L455 HydrophobicContact CB-CD2 4.32Å; V353-L455 HydrophobicContact CG2-CD2 3.78Å
354Y97.5Very high91.1Very high0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-78.788.1158.3-71.2-89.3000108.2S356 C357 G358 H359 H361 H364 R376 T377 C378 P379 S385 F387Y354-S356 PolarHBondContact O-N 2.97Å; Y354-C357 WeakPolarHBondContact CB-SG 3.33Å; Y354-C357 PolarHBondContact O-N 2.98Å; Y354-C357 PolarHBondContact O-SG 3.32Å; Y354-C357 VanDerWaalsContact O-SG 3.36Å; Y354-G358 PolarHBondContact O-N 3.11Å; Y354-H359 PolarHBondContact N-O 2.8Å; Y354-H361 AromaticContact CD2-CD2 3.95Å; Y354-H361 HydrophobicContact CE2-CB 4.49Å; Y354-H361 AromaticContact CE2-CD2 3.93Å; Y354-H361 AromaticContact CE2-CG 3.94Å; Y354-H364 PolarHBondContact OH-CE1 2.94Å; Y354-H364 PolarHBondContact OH-NE2 2.68Å; Y354-R376 HydrophobicContact CE1-CB 3.84Å; Y354-T377 VanDerWaalsContact CE1-O 3.28Å; Y354-T377 WeakPolarHBondContact CE1-O 3.32Å; Y354-T377 PolarHBondContact OH-O 2.85Å; Y354-C378 HydrophobicContact CD1-CB 3.85Å; Y354-C378 HydrophobicContact CD2-CB 4.28Å; Y354-C378 HydrophobicContact CE1-CB 4.3Å; Y354-C378 HydrophobicContact CG-CB 3.83Å; Y354-P379 VanDerWaalsContact CZ-CD 3.48Å; Y354-P379 WeakPolarHBondContact OH-CD 3.26Å; Y354-S385 VanDerWaalsContact C-OG 3.29Å; Y354-F387 HydrophobicContact CD1-CD2 4.12Å; Y354-F387 AromaticContact CD2-CD2 3.73Å; Y354-F387 HydrophobicContact CD2-CD2 3.73Å; Y354-F387 AromaticContact CD2-CE2 3.8Å; Y354-F387 HydrophobicContact CD2-CE2 3.8Å; Y354-F387 HydrophobicContact CE1-CB 4.31Å; Y354-F387 AromaticContact CE1-CD2 3.99Å; Y354-F387 HydrophobicContact CE1-CD2 3.99Å; Y354-F387 HydrophobicContact CE1-CG 4.3Å; Y354-F387 AromaticContact CE2-CD2 3.57Å; Y354-F387 HydrophobicContact CE2-CD2 3.57Å; Y354-F387 AromaticContact CE2-CE2 3.45Å; Y354-F387 HydrophobicContact CE2-CE2 3.45Å; Y354-F387 VanDerWaalsContact CE2-CE2 3.45Å; Y354-F387 HydrophobicContact CE2-CG 4.48Å; Y354-F387 HydrophobicContact CE2-CZ 4.27Å; Y354-F387 AromaticContact CG-CD2 4Å; Y354-F387 HydrophobicContact CG-CD2 4Å; Y354-F387 AromaticContact CZ-CD2 3.71Å; Y354-F387 AromaticContact CZ-CE2 3.93Å
355V96.2Very high92.2Very high1 Ų131 Ų311%0.00616%0.164CC..THydrogen-bonded Turntrans-60-15.9-163.568.40000115.5V353 S385 L386 I388 N410 V453V353-V355 VanDerWaalsContact C-N 3.34Å; V353-V355 HydrophobicContact CG1-CB 4.2Å; V353-V355 PolarHBondContact O-N 2.84Å; V355-S385 PolarHBondContact N-OG 3.25Å; V355-L386 HydrophobicContact CG1-CB 3.81Å; V355-L386 PolarHBondContact N-O 3.27Å; V355-I388 HydrophobicContact CB-CD1 3.86Å; V355-I388 HydrophobicContact CB-CG1 4.23Å; V355-I388 HydrophobicContact CG1-CD1 4.29Å; V355-I388 HydrophobicContact CG2-CD1 3.91Å; V355-N410 HydrophobicContact CG2-CB 3.44Å; V355-N410 VanDerWaalsContact CG2-CB 3.44Å; V355-N410 VanDerWaalsContact CG2-CG 3.43Å; V355-V453 HydrophobicContact CG2-CG2 3.97Å; V355-V453 VanDerWaalsContact O-CG1 3.3Å; V355-V453 WeakPolarHBondContact O-CG1 3.2Å; V355-V453 WeakPolarHBondContact O-CG2 3.33Å
356S96Very high92.7Very high49 Ų4934.5 Ų34.534%0.34318%0.175SC..THydrogen-bonded Turntrans-85-22.9178.7-53.50000112.9Y354 Q383 S385Y354-S356 PolarHBondContact O-N 2.97Å; S356-Q383 PolarHBondContact O-NE2 3.48Å; S356-S385 WeakPolarHBondContact CB-OG 3.3Å; S356-S385 PolarHBondContact N-OG 3.21Å; S356-S385 WeakPolarHBondContact OG-CB 3.21Å; S356-S385 PolarHBondContact OG-OG 3.22Å
357C96.9Very high93Very high24 Ų2438.1 Ų38.116%0.16218%0.183CC..THydrogen-bonded Turntrans-119.1-17.7178.161.30000114Y354 H359 C381Y354-C357 WeakPolarHBondContact CB-SG 3.33Å; Y354-C357 PolarHBondContact O-N 2.98Å; Y354-C357 PolarHBondContact O-SG 3.32Å; Y354-C357 VanDerWaalsContact O-SG 3.36Å; C357-H359 PolarHBondContact O-N 2.94Å; C357-H359 PolarHBondContact SG-ND1 3.41Å; C357-H359 VanDerWaalsContact SG-ND1 3.38Å; C357-C381 VanDerWaalsContact SG-SG 3.69Å
358G97.5Very high93.5Very high0 Ų036 Ų360%017%0.171CC..  trans88-9.5177.900000115.7Y354 V360 K454 L456Y354-G358 PolarHBondContact O-N 3.11Å; G358-V360 WeakPolarHBondContact O-CG2 3.26Å; G358-V360 PolarHBondContact O-N 2.87Å; G358-K454 VanDerWaalsContact CA-O 3.31Å; G358-K454 WeakPolarHBondContact CA-O 3.09Å; G358-L456 PolarHBondContact O-N 3.26Å
359H96.9Very high93.8Very high31 Ų3142 Ų4214%0.14421%0.208CC..BIsolated β-bridgetrans-57.9126.2175.3-68.2121.9000112.7V353 Y354 C357 L380 L456V353-H359 WeakPolarHBondContact CA-O 3.26Å; Y354-H359 PolarHBondContact N-O 2.8Å; C357-H359 PolarHBondContact O-N 2.94Å; C357-H359 PolarHBondContact SG-ND1 3.41Å; C357-H359 VanDerWaalsContact SG-ND1 3.38Å; H359-L380 HydrophobicContact CB-CD1 4.19Å; H359-L456 WeakPolarHBondContact NE2-CD1 3.07Å
360V96.2Very high93.7Very high1 Ų142.7 Ų42.71%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-102132.3-178.2-175.90000110.8L304 P351 Y352 V353 G358 L390 L455 L456 F457L304-V360 HydrophobicContact CD1-CG1 3.93Å; P351-V360 HydrophobicContact CB-CG1 3.99Å; Y352-V360 CarbonylContact O-C 3.51Å; Y352-V360 WeakPolarHBondContact O-CA 3.34Å; V353-V360 HydrophobicContact CB-CG2 4.48Å; V353-V360 HydrophobicContact CG2-CG2 4.27Å; G358-V360 WeakPolarHBondContact O-CG2 3.26Å; G358-V360 PolarHBondContact O-N 2.87Å; V360-L390 HydrophobicContact CG1-CD1 4Å; V360-L390 HydrophobicContact CG2-CD1 3.96Å; V360-L455 HydrophobicContact CG2-CB 4.15Å; V360-L455 HydrophobicContact CG2-CD2 4.05Å; V360-L456 PolarHBondContact N-O 2.95Å; V360-L456 VanDerWaalsContact N-O 3.17Å; V360-F457 HydrophobicContact CB-CD1 3.82Å; V360-F457 HydrophobicContact CB-CE1 4.18Å; V360-F457 HydrophobicContact CG1-CD1 3.97Å; V360-F457 HydrophobicContact CG1-CE1 4.05Å; V360-F457 HydrophobicContact CG2-CD1 3.66Å; V360-F457 HydrophobicContact CG2-CE1 3.71Å
361H95.2Very high93.6Very high0 Ų042.7 Ų42.70%023%0.23CC..EExtended strand (participates in β ladder)trans-134.3170-176.9-74-130.5000109.4L304 P351 Y352 Y354 H364 F387L304-H361 VanDerWaalsContact CD1-C 3.49Å; L304-H361 WeakPolarHBondContact CD1-O 3.26Å; P351-H361 CarbonylContact C-O 3.59Å; P351-H361 WeakPolarHBondContact CA-O 3.38Å; Y352-H361 PolarHBondContact N-O 2.61Å; Y352-H361 PolarHBondContact O-N 3.4Å; Y352-H361 VanDerWaalsContact O-O 3.09Å; Y354-H361 AromaticContact CD2-CD2 3.95Å; Y354-H361 HydrophobicContact CE2-CB 4.49Å; Y354-H361 AromaticContact CE2-CD2 3.93Å; Y354-H361 AromaticContact CE2-CG 3.94Å; H361-H364 AromaticContact ND1-NE2 3.69Å; H361-F387 HydrophobicContact CB-CE2 4.06Å; H361-F387 HydrophobicContact CB-CZ 4.11Å
362G93.6Very high93.2Very high0 Ų046.8 Ų46.80%026%0.255CS..EExtended strand (participates in β ladder)trans-78.9161.2160.400000110.1C297 D348 M350 H364 F387C297-G362 PolarHBondContact SG-N 2.89Å; D348-G362 WeakPolarHBondContact O-CA 3.44Å; M350-G362 WeakPolarHBondContact O-CA 3.27Å; G362-H364 PolarHBondContact O-CD2 3.06Å; G362-H364 PolarHBondContact O-N 3.09Å; G362-F387 WeakPolarHBondContact O-CZ 3.38Å
363W92.5Very high92.8Very high95 Ų9551.2 Ų51.236%0.3628%0.282SS..  trans-59.5132.1171.6-17784.3000110.9L300 P347 M350 Y352L300-W363 WeakPolarHBondContact CD1-O 3.35Å; P347-W363 HydrophobicContact CB-CE3 4.41Å; P347-W363 WeakPolarHBondContact O-CB 3.2Å; M350-W363 PolarHBondContact O-N 3.38Å; Y352-W363 HydrophobicContact CD2-CB 3.8Å; Y352-W363 AromaticContact CE1-CD1 3.55Å; Y352-W363 HydrophobicContact CE1-CG 4.47Å; Y352-W363 HydrophobicContact CE2-CB 3.64Å; Y352-W363 AromaticContact CE2-CD1 3.95Å; Y352-W363 HydrophobicContact CE2-CG 4.16Å; Y352-W363 HydrophobicContact CG-CB 4.39Å; Y352-W363 AromaticContact CZ-CD1 3.48Å; Y352-W363 VanDerWaalsContact CZ-CD1 3.48Å
364H91.4Very high92.2Very high8 Ų854 Ų544%0.03730%0.301CS..  trans-144.3160.4171.660.380.1000111.1L300 Y354 H361 G362 W366 R376 F387L300-H364 HydrophobicContact CD1-CB 4.27Å; L300-H364 HydrophobicContact CD2-CB 4.36Å; Y354-H364 PolarHBondContact OH-CE1 2.94Å; Y354-H364 PolarHBondContact OH-NE2 2.68Å; H361-H364 AromaticContact ND1-NE2 3.69Å; G362-H364 PolarHBondContact O-CD2 3.06Å; G362-H364 PolarHBondContact O-N 3.09Å; H364-W366 PolarHBondContact ND1-N 2.96Å; H364-R376 PolarHBondContact O-NH1 3.05Å; H364-F387 AromaticContact NE2-CZ 3.94Å
365N89Confident92Very high129 Ų12960.5 Ų60.569%0.6933%0.325SS*.  trans-93.4-7.3178.465.6-8.9000113.9
366W88.9Confident91.9Very high117 Ų11761.9 Ų61.944%0.44333%0.33SS..  trans-56.5140.4176.2-178.991.4000112.2H364 A368 R376 T377 P379H364-W366 PolarHBondContact ND1-N 2.96Å; W366-A368 HydrophobicContact CH2-CB 3.96Å; W366-A368 HydrophobicContact CZ2-CB 4.41Å; W366-R376 PolarHBondContact O-NH1 3.5Å; W366-T377 WeakPolarHBondContact CZ3-O 3.41Å; W366-P379 HydrophobicContact CE3-CG 3.93Å; W366-P379 HydrophobicContact CH2-CG 4.37Å; W366-P379 HydrophobicContact CZ3-CB 4.28Å; W366-P379 HydrophobicContact CZ3-CG 3.65Å
367R90.6Very high91.9Very high112 Ų11260.5 Ų60.542%0.42332%0.32SS..  trans-143.8144.2179.7-69.3-178.8176.9-128.3-0.5109.7D371 N373R367-D371 WeakPolarHBondContact CA-OD2 3.21Å; R367-D371 HydrophobicContact CB-CB 4.12Å; R367-N373 PolarHBondContact NH1-O 2.99Å; R367-N373 PolarHBondContact NH2-O 2.82Å; R367-N373 VanDerWaalsContact NH2-O 3.15Å
368A92Very high91.9Very high26 Ų2659.4 Ų59.422%0.21531%0.312CS..  trans-80.1160.5173.200000111.6W366 G370 D371 T377W366-A368 HydrophobicContact CH2-CB 3.96Å; W366-A368 HydrophobicContact CZ2-CB 4.41Å; A368-G370 PolarHBondContact O-N 3.21Å; A368-D371 PolarHBondContact N-OD2 2.85Å; A368-D371 WeakPolarHBondContact O-CB 3.36Å; A368-D371 PolarHBondContact O-N 3.08Å; A368-D371 VanDerWaalsContact O-N 3.12Å; A368-T377 HydrophobicContact CB-CG2 4.19Å
369V89.6Confident91.7Very high159 Ų15961.1 Ų61.196%0.96432%0.324SS*.THydrogen-bonded Turntrans-61.3121.1172.7-179.40000109
370G87.1Confident91.6Very high65 Ų6563.4 Ų63.467%0.6734%0.337SS*.THydrogen-bonded Turntrans99.8-6.4-17800000115.2A368 V372A368-G370 PolarHBondContact O-N 3.21Å; G370-V372 PolarHBondContact O-N 3.01Å
371D91.2Very high91.6Very high24 Ų2466 Ų6613%0.12835%0.354CS..  trans-63.4121.3172.5-77.7-10.2000110.5R367 A368 R376 T377R367-D371 WeakPolarHBondContact CA-OD2 3.21Å; R367-D371 HydrophobicContact CB-CB 4.12Å; A368-D371 PolarHBondContact N-OD2 2.85Å; A368-D371 WeakPolarHBondContact O-CB 3.36Å; A368-D371 PolarHBondContact O-N 3.08Å; A368-D371 VanDerWaalsContact O-N 3.12Å; D371-R376 WeakPolarHBondContact OD2-CA 3.39Å; D371-T377 PolarHBondContact OD1-N 3.42Å; D371-T377 PolarHBondContact OD1-OG1 2.61Å; D371-T377 PolarHBondContact OD2-N 3.29Å; D371-T377 VanDerWaalsContact OD2-N 3.08Å
372V87.3Confident91.6Very high94 Ų9472.1 Ų72.157%0.5739%0.386SS*.  trans-118144.9-179.8-68.60000111.7G370 S374 R375G370-V372 PolarHBondContact O-N 3.01Å; V372-S374 PolarHBondContact O-N 2.76Å; V372-R375 PolarHBondContact O-N 2.92Å
373N85.9Confident91.7Very high141 Ų14176.5 Ų76.575%0.75441%0.406SS*.THydrogen-bonded Turntrans51.4-122.9178.4-58.9-27.1000112.1R367R367-N373 PolarHBondContact NH1-O 2.99Å; R367-N373 PolarHBondContact NH2-O 2.82Å; R367-N373 VanDerWaalsContact NH2-O 3.15Å
374S86Confident91.8Very high57 Ų5775.2 Ų75.240%0.39941%0.409SS..THydrogen-bonded Turntrans-93.7-1-179.5-52.40000113.9V372V372-S374 PolarHBondContact O-N 2.76Å
375R92.9Very high92Very high138 Ų13874.8 Ų74.852%0.52141%0.407SS..EExtended strand (participates in β ladder)trans-87.9130.9177.1-75.5-175.2171.4-111.4-0.1110V372 T384 S385 L386V372-R375 PolarHBondContact O-N 2.92Å; R375-T384 HydrophobicContact CB-CG2 4.01Å; R375-S385 CarbonylContact C-O 3.58Å; R375-S385 WeakPolarHBondContact CA-O 3.37Å; R375-L386 HydrophobicContact CG-CD2 4.01Å
376R94.1Very high92.3Very high29 Ų2971 Ų7111%0.10939%0.387CS..EExtended strand (participates in β ladder)trans-131.9150.6-177.4-56.9-166.2-172.1-1588.9111.1Y354 H364 W366 D371 T384 S385 F387Y354-R376 HydrophobicContact CE1-CB 3.84Å; H364-R376 PolarHBondContact O-NH1 3.05Å; W366-R376 PolarHBondContact O-NH1 3.5Å; D371-R376 WeakPolarHBondContact OD2-CA 3.39Å; R376-T384 CarbonylContact O-C 3.54Å; R376-T384 WeakPolarHBondContact O-CA 3.31Å; R376-S385 PolarHBondContact N-O 3.25Å; R376-S385 PolarHBondContact O-N 2.85Å; R376-S385 VanDerWaalsContact O-O 3.09Å; R376-F387 HydrophobicContact CB-CB 4.26Å; R376-F387 HydrophobicContact CG-CB 4.12Å
377T96.1Very high92.6Very high21 Ų2166.3 Ų66.313%0.12937%0.37CS..EExtended strand (participates in β ladder)trans-85.6131.6174.5-60.60000110.2Y354 W366 A368 D371 P379 L382Y354-T377 VanDerWaalsContact CE1-O 3.28Å; Y354-T377 WeakPolarHBondContact CE1-O 3.32Å; Y354-T377 PolarHBondContact OH-O 2.85Å; W366-T377 WeakPolarHBondContact CZ3-O 3.41Å; A368-T377 HydrophobicContact CB-CG2 4.19Å; D371-T377 PolarHBondContact OD1-N 3.42Å; D371-T377 PolarHBondContact OD1-OG1 2.61Å; D371-T377 PolarHBondContact OD2-N 3.29Å; D371-T377 VanDerWaalsContact OD2-N 3.08Å; T377-P379 WeakPolarHBondContact O-CD 3.49Å; T377-L382 HydrophobicContact CG2-CB 4.45Å; T377-L382 WeakPolarHBondContact CG2-O 3.29Å
378C95.8Very high92.9Very high0 Ų062.1 Ų62.10%036%0.355CS..  trans-68.6124.3175.2179.20000110.2Y354 L380 L382 Q383Y354-C378 HydrophobicContact CD1-CB 3.85Å; Y354-C378 HydrophobicContact CD2-CB 4.28Å; Y354-C378 HydrophobicContact CE1-CB 4.3Å; Y354-C378 HydrophobicContact CG-CB 3.83Å; C378-L380 PolarHBondContact O-N 3.23Å; C378-L382 WeakPolarHBondContact O-CA 3.45Å; C378-L382 PolarHBondContact O-N 2.93Å; C378-Q383 WeakPolarHBondContact CB-O 3.41Å; C378-Q383 PolarHBondContact N-O 3.24Å
379P94.5Very high93Very high37 Ų3761.7 Ų61.724%0.2435%0.35CS..THydrogen-bonded Turntrans-62.2-25.5-179.5-22.731.2000114V299 Y354 W366 T377V299-P379 HydrophobicContact CG2-CB 4.03Å; V299-P379 HydrophobicContact CG2-CG 4.04Å; Y354-P379 VanDerWaalsContact CZ-CD 3.48Å; Y354-P379 WeakPolarHBondContact OH-CD 3.26Å; W366-P379 HydrophobicContact CE3-CG 3.93Å; W366-P379 HydrophobicContact CH2-CG 4.37Å; W366-P379 HydrophobicContact CZ3-CB 4.28Å; W366-P379 HydrophobicContact CZ3-CG 3.65Å; T377-P379 WeakPolarHBondContact O-CD 3.49Å
380L94.3Very high93.3Very high79 Ų7954.2 Ų54.241%0.41431%0.305SS..THydrogen-bonded Turntrans-85.9-44.7-175.6-59.6-179.4000113P298 H359 C378P298-L380 HydrophobicContact CB-CD2 4.13Å; P298-L380 HydrophobicContact CG-CD1 3.85Å; P298-L380 HydrophobicContact CG-CD2 4.16Å; P298-L380 HydrophobicContact CG-CG 4.34Å; H359-L380 HydrophobicContact CB-CD1 4.19Å; C378-L380 PolarHBondContact O-N 3.23Å
381C96.1Very high93.5Very high54 Ų5457.2 Ų57.237%0.36530%0.296SS..THydrogen-bonded Turntrans-117.92-173.869.30000114.7C357 Q383C357-C381 VanDerWaalsContact SG-SG 3.69Å; C381-Q383 PolarHBondContact O-N 3.27Å
382L95.1Very high93.4Very high130 Ų13056.7 Ų56.768%0.68129%0.293SS*.  trans61.311.7179-49.2179.3000115T377 C378T377-L382 HydrophobicContact CG2-CB 4.45Å; T377-L382 WeakPolarHBondContact CG2-O 3.29Å; C378-L382 WeakPolarHBondContact O-CA 3.45Å; C378-L382 PolarHBondContact O-N 2.93Å
383Q95.6Very high93.5Very high91 Ų9152.2 Ų52.243%0.42527%0.266SS..  trans-79.4131.2176.6-169.9178.6-5.700111.2S356 C378 C381S356-Q383 PolarHBondContact O-NE2 3.48Å; C378-Q383 WeakPolarHBondContact CB-O 3.41Å; C378-Q383 PolarHBondContact N-O 3.24Å; C381-Q383 PolarHBondContact O-N 3.27Å
384T94.8Very high93.5Very high68 Ų6847.7 Ų47.742%0.41724%0.241SC..EExtended strand (participates in β ladder)trans-69.8133.7172.2-490000111.4R375 R376R375-T384 HydrophobicContact CB-CG2 4.01Å; R376-T384 CarbonylContact O-C 3.54Å; R376-T384 WeakPolarHBondContact O-CA 3.31Å
385S95.6Very high93.9Very high0 Ų045.2 Ų45.20%022%0.223CC..EExtended strand (participates in β ladder)trans-152.3165.9-176.6-163.60000112.8Y354 V355 S356 R375 R376Y354-S385 VanDerWaalsContact C-OG 3.29Å; V355-S385 PolarHBondContact N-OG 3.25Å; S356-S385 WeakPolarHBondContact CB-OG 3.3Å; S356-S385 PolarHBondContact N-OG 3.21Å; S356-S385 WeakPolarHBondContact OG-CB 3.21Å; S356-S385 PolarHBondContact OG-OG 3.22Å; R375-S385 CarbonylContact C-O 3.58Å; R375-S385 WeakPolarHBondContact CA-O 3.37Å; R376-S385 PolarHBondContact N-O 3.25Å; R376-S385 PolarHBondContact O-N 2.85Å; R376-S385 VanDerWaalsContact O-O 3.09Å
386L96Very high93.8Very high50 Ų5039 Ų3926%0.26220%0.201SC..EExtended strand (participates in β ladder)trans-73.7140.9159-61.7174.2000108.6V355 R375 I388 P411V355-L386 HydrophobicContact CG1-CB 3.81Å; V355-L386 PolarHBondContact N-O 3.27Å; R375-L386 HydrophobicContact CG-CD2 4.01Å; L386-I388 HydrophobicContact CB-CG2 4Å; L386-P411 HydrophobicContact CD1-CB 3.79Å
387F95.3Very high93.7Very high18 Ų1837.6 Ų37.68%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-109102.6175.8-172.7-126.9000109.3Y352 V353 Y354 H361 G362 H364 R376Y352-F387 HydrophobicContact CD1-CD1 4.07Å; Y352-F387 AromaticContact CD1-CE1 3.97Å; Y352-F387 HydrophobicContact CD1-CE1 3.97Å; Y352-F387 HydrophobicContact CD1-CG 4.43Å; Y352-F387 HydrophobicContact CD1-CZ 4.25Å; Y352-F387 HydrophobicContact CG-CE1 4.15Å; Y352-F387 HydrophobicContact CG-CE2 4.37Å; Y352-F387 HydrophobicContact CG-CZ 4.01Å; V353-F387 WeakPolarHBondContact O-CA 3.4Å; Y354-F387 HydrophobicContact CD1-CD2 4.12Å; Y354-F387 AromaticContact CD2-CD2 3.73Å; Y354-F387 HydrophobicContact CD2-CD2 3.73Å; Y354-F387 AromaticContact CD2-CE2 3.8Å; Y354-F387 HydrophobicContact CD2-CE2 3.8Å; Y354-F387 HydrophobicContact CE1-CB 4.31Å; Y354-F387 AromaticContact CE1-CD2 3.99Å; Y354-F387 HydrophobicContact CE1-CD2 3.99Å; Y354-F387 HydrophobicContact CE1-CG 4.3Å; Y354-F387 AromaticContact CE2-CD2 3.57Å; Y354-F387 HydrophobicContact CE2-CD2 3.57Å; Y354-F387 AromaticContact CE2-CE2 3.45Å; Y354-F387 HydrophobicContact CE2-CE2 3.45Å; Y354-F387 VanDerWaalsContact CE2-CE2 3.45Å; Y354-F387 HydrophobicContact CE2-CG 4.48Å; Y354-F387 HydrophobicContact CE2-CZ 4.27Å; Y354-F387 AromaticContact CG-CD2 4Å; Y354-F387 HydrophobicContact CG-CD2 4Å; Y354-F387 AromaticContact CZ-CD2 3.71Å; Y354-F387 AromaticContact CZ-CE2 3.93Å; H361-F387 HydrophobicContact CB-CE2 4.06Å; H361-F387 HydrophobicContact CB-CZ 4.11Å; G362-F387 WeakPolarHBondContact O-CZ 3.38Å; H364-F387 AromaticContact NE2-CZ 3.94Å; R376-F387 HydrophobicContact CB-CB 4.26Å; R376-F387 HydrophobicContact CG-CB 4.12Å
388I95Very high93.7Very high24 Ų2436.6 Ų36.612%0.12319%0.19CC..EExtended strand (participates in β ladder)trans-126.6148.3-165.660174.7000111.1Y352 V353 V355 L386 P411Y352-I388 CarbonylContact C-O 3.5Å; Y352-I388 WeakPolarHBondContact CA-O 3.26Å; V353-I388 HydrophobicContact CG1-CD1 4.2Å; V353-I388 HydrophobicContact CG1-CG1 3.67Å; V353-I388 PolarHBondContact N-O 2.77Å; V353-I388 PolarHBondContact O-N 3.19Å; V353-I388 VanDerWaalsContact O-N 3.12Å; V355-I388 HydrophobicContact CB-CD1 3.86Å; V355-I388 HydrophobicContact CB-CG1 4.23Å; V355-I388 HydrophobicContact CG1-CD1 4.29Å; V355-I388 HydrophobicContact CG2-CD1 3.91Å; L386-I388 HydrophobicContact CB-CG2 4Å; I388-P411 WeakPolarHBondContact CD1-O 3.36Å
389P95Very high93.7Very high17 Ų1736.6 Ų36.611%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-68.8143.3175.627.5-33.5000111.2M350 Y352 R391M350-P389 HydrophobicContact CE-CB 4.24Å; Y352-P389 HydrophobicContact CD1-CB 4.3Å; Y352-P389 HydrophobicContact CD2-CB 4.19Å; Y352-P389 HydrophobicContact CE1-CB 3.9Å; Y352-P389 VanDerWaalsContact CE1-CD 3.5Å; Y352-P389 HydrophobicContact CE1-CG 4.13Å; Y352-P389 HydrophobicContact CE2-CB 3.78Å; Y352-P389 HydrophobicContact CG-CB 4.42Å; P389-R391 VanDerWaalsContact CG-CZ 3.45Å
390L95.3Very high93.6Very high2 Ų236.3 Ų36.31%0.0119%0.187CC..  trans-85.9142.4169.5-65.6-178.2000110.8L306 M350 P351 V353 V360 C408 G413 I415 L455 F457L306-L390 HydrophobicContact CD2-CB 4.33Å; M350-L390 WeakPolarHBondContact CE-O 3.16Å; P351-L390 HydrophobicContact CB-CB 4.31Å; P351-L390 HydrophobicContact CB-CD1 4.21Å; P351-L390 PolarHBondContact O-N 2.81Å; V353-L390 HydrophobicContact CB-CD1 4.32Å; V353-L390 HydrophobicContact CB-CD2 3.78Å; V353-L390 HydrophobicContact CB-CG 4.07Å; V353-L390 HydrophobicContact CG1-CD2 3.38Å; V353-L390 HydrophobicContact CG1-CG 4.1Å; V360-L390 HydrophobicContact CG1-CD1 4Å; V360-L390 HydrophobicContact CG2-CD1 3.96Å; L390-C408 HydrophobicContact CD2-CB 4.05Å; L390-G413 WeakPolarHBondContact CA-O 3.42Å; L390-I415 HydrophobicContact CB-CG2 3.98Å; L390-I415 HydrophobicContact CD1-CG2 4.26Å; L390-I415 HydrophobicContact CD2-CG2 3.72Å; L390-I415 HydrophobicContact CG-CG2 4.21Å; L390-L455 HydrophobicContact CD1-CD1 4Å; L390-L455 HydrophobicContact CD1-CD2 4.04Å; L390-L455 HydrophobicContact CD2-CD2 4.06Å; L390-F457 HydrophobicContact CD1-CE1 4.39Å
391R91.2Very high93.4Very high127 Ų12733.7 Ų33.748%0.47917%0.173SC..EExtended strand (participates in β ladder)trans-144.8140.2178.8-48179.8-150.2-90.59.9110.2P389 G413 H414 I415P389-R391 VanDerWaalsContact CG-CZ 3.45Å; R391-G413 PolarHBondContact N-O 2.77Å; R391-G413 VanDerWaalsContact N-O 3.11Å; R391-H414 CarbonylContact O-C 3.47Å; R391-H414 VanDerWaalsContact O-CA 3.24Å; R391-H414 WeakPolarHBondContact O-CA 3.39Å; R391-I415 PolarHBondContact O-N 3.47Å
392M89.4Confident92.9Very high13 Ų1335.2 Ų35.26%0.06417%0.171CC..EExtended strand (participates in β ladder)trans-70.8137.7175-16664171.400110.8L283 M286 I287 L309 I394 Y399 A405 I415L283-M392 HydrophobicContact CB-CE 4.4Å; L283-M392 HydrophobicContact CD2-CE 3.8Å; M286-M392 HydrophobicContact CB-CE 4.03Å; M286-M392 HydrophobicContact SD-CE 3.69Å; I287-M392 HydrophobicContact CD1-CB 3.86Å; I287-M392 HydrophobicContact CD1-CG 3.9Å; I287-M392 HydrophobicContact CG1-CB 4.12Å; I287-M392 HydrophobicContact CG1-CG 4.02Å; L309-M392 HydrophobicContact CD2-CB 4.45Å; M392-I394 VanDerWaalsContact O-CG2 3.27Å; M392-I394 WeakPolarHBondContact O-CG2 3.35Å; M392-Y399 HydrophobicContact CE-CE1 4.29Å; M392-Y399 VanDerWaalsContact CE-OH 3.28Å; M392-Y399 WeakPolarHBondContact CE-OH 3.35Å; M392-A405 HydrophobicContact CE-CB 4.2Å; M392-A405 HydrophobicContact SD-CB 4Å; M392-I415 HydrophobicContact CB-CG1 4.41Å; M392-I415 HydrophobicContact SD-CD1 3.92Å; M392-I415 HydrophobicContact SD-CG1 3.6Å
393G88.6Confident92.3Very high0 Ų031.8 Ų31.80%016%0.159CC..  trans-72.2122.9162.300000109.7Y399 I415 F443G393-Y399 WeakPolarHBondContact O-CE2 3.44Å; G393-Y399 PolarHBondContact O-OH 3.47Å; G393-I415 PolarHBondContact N-O 2.98Å; G393-F443 VanDerWaalsContact CA-CE1 3.44Å
394I87.9Confident91.6Very high46 Ų4628.2 Ų28.224%0.23614%0.142CC..  trans-104.5-16.5-167.281.5172.8000112.3N16 L283 L309 M392 S396N16-I394 WeakPolarHBondContact O-CD1 3.43Å; N16-I394 WeakPolarHBondContact O-CG1 3.28Å; N16-I394 PolarHBondContact OD1-N 2.83Å; L283-I394 VanDerWaalsContact CD1-O 3.28Å; L283-I394 WeakPolarHBondContact CD1-O 3.21Å; L309-I394 HydrophobicContact CD2-CB 3.74Å; L309-I394 HydrophobicContact CD2-CG2 3.18Å; M392-I394 VanDerWaalsContact O-CG2 3.27Å; M392-I394 WeakPolarHBondContact O-CG2 3.35Å; I394-S396 PolarHBondContact O-N 3.03Å
395E92.3Very high91.4Very high5 Ų525 Ų252%0.02312%0.122CC..  trans-78.1100.2170.8-176.753.1-106.300110.6A11 N16 G17 K31 A397 F398 F443A11-E395 HydrophobicContact CB-CG 4.45Å; N16-E395 PolarHBondContact OD1-N 3.17Å; G17-E395 WeakPolarHBondContact CA-OE2 3.21Å; K31-E395 IonicContact NZ-OE1 3.67Å; K31-E395 PolarHBondContact NZ-OE1 2.88Å; K31-E395 IonicContact NZ-OE2 3.98Å; E395-A397 HydrophobicContact CG-CB 4.07Å; E395-A397 PolarHBondContact O-N 3.42Å; E395-A397 WeakPolarHBondContact OE1-CB 3.31Å; E395-A397 PolarHBondContact OE1-N 3.01Å; E395-F398 HydrophobicContact CB-CD2 3.66Å; E395-F398 HydrophobicContact CB-CE2 3.6Å; E395-F398 HydrophobicContact CB-CG 4.32Å; E395-F398 HydrophobicContact CB-CZ 4.23Å; E395-F398 HydrophobicContact CG-CD1 4.2Å; E395-F398 HydrophobicContact CG-CD2 3.81Å; E395-F398 HydrophobicContact CG-CE1 4.02Å; E395-F398 HydrophobicContact CG-CE2 3.58Å; E395-F398 HydrophobicContact CG-CG 4.1Å; E395-F398 HydrophobicContact CG-CZ 3.69Å; E395-F398 PolarHBondContact O-N 2.87Å; E395-F398 VanDerWaalsContact O-N 3.15Å; E395-F443 HydrophobicContact CB-CD1 4.49Å; E395-F443 HydrophobicContact CB-CE1 4.49Å
396S91.5Very high91.1Very high7 Ų726.6 Ų26.65%0.04913%0.132CC..G310 helixtrans-63.1-25.2-175.773.90000113.2A278 I394 F398 Y399A278-S396 VanDerWaalsContact O-CB 3.27Å; A278-S396 WeakPolarHBondContact O-CB 3.2Å; A278-S396 PolarHBondContact O-OG 3.26Å; I394-S396 PolarHBondContact O-N 3.03Å; S396-F398 PolarHBondContact O-N 2.85Å; S396-F398 VanDerWaalsContact O-N 3.12Å; S396-Y399 PolarHBondContact O-N 3.38Å
397A93.4Very high91.1Very high0 Ų024.6 Ų24.60%012%0.121CC..G310 helixtrans-58.8-2317600000113.6A11 L267 R269 E395A11-A397 HydrophobicContact CB-CB 3.98Å; L267-A397 WeakPolarHBondContact CD2-O 3.26Å; R269-A397 VanDerWaalsContact CD-O 3.25Å; R269-A397 WeakPolarHBondContact CD-O 3.46Å; R269-A397 HydrophobicContact CG-CB 3.99Å; R269-A397 PolarHBondContact NE-O 3.37Å; E395-A397 HydrophobicContact CG-CB 4.07Å; E395-A397 PolarHBondContact O-N 3.42Å; E395-A397 WeakPolarHBondContact OE1-CB 3.31Å; E395-A397 PolarHBondContact OE1-N 3.01Å
398F95.8Very high91.2Very high1 Ų123.7 Ų23.70%0.00412%0.118CC..G310 helixtrans-86.9-6.7-178-56.5-26.5000114.3A11 I12 L13 L267 E395 S396 W424 P442 F443A11-F398 HydrophobicContact CB-CE1 3.69Å; A11-F398 HydrophobicContact CB-CZ 4.15Å; I12-F398 WeakPolarHBondContact O-CZ 3.44Å; L13-F398 HydrophobicContact CD1-CE1 3.92Å; L13-F398 HydrophobicContact CD1-CZ 4.33Å; L13-F398 HydrophobicContact CG-CE1 4.38Å; L13-F398 HydrophobicContact CG-CZ 4.43Å; L267-F398 HydrophobicContact CB-CD1 4.48Å; L267-F398 HydrophobicContact CB-CE1 4.27Å; L267-F398 HydrophobicContact CD2-CD1 3.61Å; L267-F398 HydrophobicContact CD2-CE1 4.19Å; E395-F398 HydrophobicContact CB-CD2 3.66Å; E395-F398 HydrophobicContact CB-CE2 3.6Å; E395-F398 HydrophobicContact CB-CG 4.32Å; E395-F398 HydrophobicContact CB-CZ 4.23Å; E395-F398 HydrophobicContact CG-CD1 4.2Å; E395-F398 HydrophobicContact CG-CD2 3.81Å; E395-F398 HydrophobicContact CG-CE1 4.02Å; E395-F398 HydrophobicContact CG-CE2 3.58Å; E395-F398 HydrophobicContact CG-CG 4.1Å; E395-F398 HydrophobicContact CG-CZ 3.69Å; E395-F398 PolarHBondContact O-N 2.87Å; E395-F398 VanDerWaalsContact O-N 3.15Å; S396-F398 PolarHBondContact O-N 2.85Å; S396-F398 VanDerWaalsContact O-N 3.12Å; F398-W424 HydrophobicContact CB-CZ2 4.2Å; F398-W424 HydrophobicContact CD1-CZ2 4.47Å; F398-W424 PolarHBondContact O-NE1 3.3Å; F398-P442 HydrophobicContact CB-CB 4.02Å; F398-P442 HydrophobicContact CB-CG 4.1Å; F398-P442 HydrophobicContact CD1-CB 4.49Å; F398-P442 HydrophobicContact CD2-CB 3.8Å; F398-P442 HydrophobicContact CD2-CG 4.31Å; F398-P442 HydrophobicContact CE2-CB 4.41Å; F398-P442 WeakPolarHBondContact CE2-O 3.19Å; F398-P442 HydrophobicContact CG-CB 3.87Å; F398-P442 HydrophobicContact CG-CG 4.4Å; F398-F443 HydrophobicContact CB-CE1 3.85Å; F398-F443 HydrophobicContact CB-CZ 4.08Å; F398-F443 AromaticContact CD2-CD1 3.55Å; F398-F443 HydrophobicContact CD2-CD1 3.55Å; F398-F443 AromaticContact CD2-CE1 3.62Å; F398-F443 HydrophobicContact CD2-CE1 3.62Å; F398-F443 HydrophobicContact CD2-CG 4.4Å; F398-F443 HydrophobicContact CE2-CD1 4.26Å; F398-F443 HydrophobicContact CG-CE1 4.23Å
399Y94.6Very high91.3Very high0 Ų022.6 Ų22.60%011%0.112CC..  trans-79.2143176.1-74.2-105000110.4T277 A278 L283 M392 G393 S396 I415 A416 T420 F443T277-Y399 VanDerWaalsContact OG1-C 3.22Å; T277-Y399 PolarHBondContact OG1-O 2.98Å; A278-Y399 HydrophobicContact CB-CD1 4.31Å; A278-Y399 HydrophobicContact CB-CG 4.01Å; L283-Y399 HydrophobicContact CD1-CE2 4.26Å; L283-Y399 HydrophobicContact CD2-CD1 4.41Å; L283-Y399 HydrophobicContact CD2-CD2 4.08Å; L283-Y399 HydrophobicContact CD2-CE1 4.02Å; L283-Y399 HydrophobicContact CD2-CE2 3.65Å; L283-Y399 HydrophobicContact CD2-CG 4.45Å; M392-Y399 HydrophobicContact CE-CE1 4.29Å; M392-Y399 VanDerWaalsContact CE-OH 3.28Å; M392-Y399 WeakPolarHBondContact CE-OH 3.35Å; G393-Y399 WeakPolarHBondContact O-CE2 3.44Å; G393-Y399 PolarHBondContact O-OH 3.47Å; S396-Y399 PolarHBondContact O-N 3.38Å; Y399-I415 PolarHBondContact OH-O 3.15Å; Y399-A416 HydrophobicContact CD1-CB 4.42Å; Y399-A416 HydrophobicContact CE1-CB 3.68Å; Y399-T420 HydrophobicContact CD1-CG2 4.33Å; Y399-T420 HydrophobicContact CG-CG2 4.47Å; Y399-F443 HydrophobicContact CD2-CZ 4.25Å; Y399-F443 AromaticContact CE2-CE1 3.98Å; Y399-F443 HydrophobicContact CE2-CE1 3.98Å; Y399-F443 AromaticContact CE2-CZ 3.61Å; Y399-F443 HydrophobicContact CE2-CZ 3.61Å
400V92.9Very high91.4Very high31 Ų3122.6 Ų22.619%0.18811%0.111CC..SBendtrans-96-14.7175.5-52.20000112.4P203 I207 M256 N419 T420 Y423P203-V400 HydrophobicContact CB-CB 4.24Å; P203-V400 HydrophobicContact CB-CG1 4.09Å; P203-V400 HydrophobicContact CG-CB 4.49Å; P203-V400 HydrophobicContact CG-CG1 4.2Å; I207-V400 HydrophobicContact CD1-CG2 4.33Å; M256-V400 HydrophobicContact CE-CG1 3.94Å; V400-N419 HydrophobicContact CG2-CB 3.75Å; V400-T420 PolarHBondContact N-OG1 3.09Å; V400-Y423 HydrophobicContact CG1-CD1 3.84Å; V400-Y423 HydrophobicContact CG1-CE1 4.5Å; V400-Y423 HydrophobicContact CG1-CG 3.88Å
401D89.5Confident91.4Very high23 Ų2324.5 Ų24.512%0.12312%0.123CC..SBendtrans-151.5-174.7179.764.426.3000111.6A278 S403 S417 N419A278-D401 PolarHBondContact N-O 3.31Å; D401-S403 WeakPolarHBondContact OD1-CB 3.33Å; D401-S403 PolarHBondContact OD1-N 3.41Å; D401-S403 VanDerWaalsContact OD1-N 3.1Å; D401-S403 PolarHBondContact OD2-OG 2.84Å; D401-S417 WeakPolarHBondContact OD1-CB 3.46Å; D401-S417 PolarHBondContact OD1-OG 2.9Å; D401-N419 VanDerWaalsContact OD2-CB 3.27Å; D401-N419 WeakPolarHBondContact OD2-CB 3.42Å; D401-N419 PolarHBondContact OD2-ND2 2.94Å
402R85.4Confident91.7Very high86 Ų8619.4 Ų19.433%0.32511%0.107SC..SBendtrans-105.813.8177.8-65.4-174.7173.5158.75.9113.1K275 T277 D282K275-R402 PolarHBondContact O-NH2 2.92Å; T277-R402 PolarHBondContact O-NE 3.19Å; T277-R402 PolarHBondContact O-NH2 3.15Å; D282-R402 IonicContact OD2-NE 3.05Å
403S83.1Confident92Very high59 Ų5918.8 Ų18.841%0.41310%0.104SC..  trans-74.2159.8-172.7-59.40000111.2D401 S417D401-S403 WeakPolarHBondContact OD1-CB 3.33Å; D401-S403 PolarHBondContact OD1-N 3.41Å; D401-S403 VanDerWaalsContact OD1-N 3.1Å; D401-S403 PolarHBondContact OD2-OG 2.84Å; S403-S417 WeakPolarHBondContact O-CB 3.32Å
404L81Confident92.3Very high16 Ų1619.6 Ų19.68%0.08411%0.108CC..  trans-60.6145.9-178.7-178.460.5000112.8L290 T406 S417 F466 I470L290-L404 HydrophobicContact CD2-CD1 4.05Å; L290-L404 HydrophobicContact CG-CD1 4.11Å; L404-T406 VanDerWaalsContact C-N 3.34Å; L404-T406 HydrophobicContact CB-CG2 4.15Å; L404-T406 HydrophobicContact CD2-CG2 3.85Å; L404-T406 HydrophobicContact CG-CG2 3.96Å; L404-T406 PolarHBondContact O-N 2.77Å; L404-S417 VanDerWaalsContact O-CA 3.26Å; L404-S417 WeakPolarHBondContact O-CA 3.11Å; L404-F466 HydrophobicContact CD2-CD1 4.39Å; L404-F466 HydrophobicContact CD2-CE1 3.6Å; L404-F466 HydrophobicContact CD2-CZ 4.31Å; L404-I470 HydrophobicContact CB-CG2 4.11Å; L404-I470 HydrophobicContact CD1-CD1 4.17Å; L404-I470 HydrophobicContact CD1-CG1 4.31Å; L404-I470 HydrophobicContact CD1-CG2 3.61Å; L404-I470 HydrophobicContact CD2-CB 4.26Å; L404-I470 HydrophobicContact CD2-CG1 3.9Å; L404-I470 HydrophobicContact CD2-CG2 3.9Å; L404-I470 HydrophobicContact CG-CG2 4.05Å
405A89.6Confident92.7Very high0 Ų017.4 Ų17.40%010%0.097CC..  trans-72.281172.900000113L290 M392 I415 A416L290-A405 HydrophobicContact CD1-CB 4.36Å; M392-A405 HydrophobicContact CE-CB 4.2Å; M392-A405 HydrophobicContact SD-CB 4Å; A405-I415 HydrophobicContact CB-CB 4.27Å; A405-I415 HydrophobicContact CB-CD1 4.02Å; A405-I415 HydrophobicContact CB-CG1 4.02Å; A405-A416 CarbonylContact C-O 3.46Å; A405-A416 VanDerWaalsContact CA-O 3.31Å; A405-A416 WeakPolarHBondContact CA-O 3.44Å
406T90.5Very high92.8Very high33 Ų3317.2 Ų17.220%0.20210%0.096CC..  trans-99.8-5.3179.655.60000113.6L404 A416 L455L404-T406 VanDerWaalsContact C-N 3.34Å; L404-T406 HydrophobicContact CB-CG2 4.15Å; L404-T406 HydrophobicContact CD2-CG2 3.85Å; L404-T406 HydrophobicContact CG-CG2 3.96Å; L404-T406 PolarHBondContact O-N 2.77Å; T406-A416 PolarHBondContact N-O 2.91Å; T406-L455 WeakPolarHBondContact O-CB 3.42Å; T406-L455 PolarHBondContact O-N 3.17Å
407H95.3Very high92.8Very high8 Ų816.9 Ų16.94%0.0379%0.093CC..EExtended strand (participates in β ladder)trans-131.7156.1-174.8-70.968.6000111.5I415 A416 E418 V421 V453H407-I415 CarbonylContact O-C 3.52Å; H407-I415 VanDerWaalsContact O-CA 3.27Å; H407-I415 WeakPolarHBondContact O-CA 3.44Å; H407-A416 PolarHBondContact N-O 3.27Å; H407-A416 VanDerWaalsContact N-O 3.17Å; H407-A416 PolarHBondContact O-N 3.42Å; H407-E418 VanDerWaalsContact CE1-CB 3.44Å; H407-E418 WeakPolarHBondContact CE1-CB 3.25Å; H407-E418 VanDerWaalsContact CE1-CD 3.43Å; H407-E418 WeakPolarHBondContact CE1-CG 3.44Å; H407-E418 IonicContact CE1-OE2 3.69Å; H407-E418 WeakPolarHBondContact ND1-CA 3.4Å; H407-E418 WeakPolarHBondContact ND1-CB 3.38Å; H407-V421 HydrophobicContact CB-CB 3.95Å; H407-V421 HydrophobicContact CB-CG1 4.3Å; H407-V421 HydrophobicContact CB-CG2 3.72Å; H407-V453 CarbonylContact C-O 3.45Å; H407-V453 WeakPolarHBondContact CA-O 3.18Å; H407-V453 WeakPolarHBondContact CB-O 3.3Å
408C97.6Very high92.8Very high0 Ų020.1 Ų20.10%011%0.109CC..EExtended strand (participates in β ladder)trans-131.7161.2174.681.70000113.6L390 H414 I415 V453 L455L390-C408 HydrophobicContact CD2-CB 4.05Å; C408-H414 CarbonylContact C-O 3.55Å; C408-H414 WeakPolarHBondContact CA-O 3.22Å; C408-H414 WeakPolarHBondContact CB-O 3.49Å; C408-I415 HydrophobicContact CB-CG2 3.88Å; C408-V453 PolarHBondContact N-O 2.73Å; C408-V453 PolarHBondContact O-N 2.81Å; C408-L455 HydrophobicContact CB-CD1 4.41Å; C408-L455 HydrophobicContact CB-CD2 4.01Å; C408-L455 HydrophobicContact CB-CG 4.41Å
409F97.9Very high92.6Very high0 Ų022.7 Ų22.70%012%0.122CC..  trans-83.3138.4171.7-67.2-68.8000111.8C412 G413 H414 V421 W424 C441 P442 F443 I448F409-C412 VanDerWaalsContact CB-SG 3.51Å; F409-C412 PolarHBondContact O-N 2.95Å; F409-G413 PolarHBondContact O-N 2.97Å; F409-H414 HydrophobicContact CD2-CB 3.76Å; F409-H414 VanDerWaalsContact CD2-O 3.28Å; F409-H414 WeakPolarHBondContact CD2-O 3.33Å; F409-H414 PolarHBondContact N-O 2.83Å; F409-V421 HydrophobicContact CD1-CG1 3.93Å; F409-V421 HydrophobicContact CE1-CB 4.23Å; F409-V421 HydrophobicContact CE1-CG1 3.85Å; F409-V421 HydrophobicContact CE1-CG2 4.41Å; F409-V421 HydrophobicContact CE2-CG2 4.16Å; F409-V421 HydrophobicContact CZ-CB 4.29Å; F409-V421 HydrophobicContact CZ-CG1 4.35Å; F409-V421 HydrophobicContact CZ-CG2 4.09Å; F409-W424 HydrophobicContact CE1-CB 3.59Å; F409-W424 HydrophobicContact CZ-CB 3.69Å; F409-W424 HydrophobicContact CZ-CG 4.19Å; F409-C441 HydrophobicContact CG-CB 4.38Å; F409-P442 HydrophobicContact CZ-CG 4.46Å; F409-F443 HydrophobicContact CE2-CD2 4.09Å; F409-F443 AromaticContact CE2-CE2 3.88Å; F409-F443 HydrophobicContact CE2-CE2 3.88Å; F409-I448 HydrophobicContact CB-CG2 3.95Å; F409-I448 HydrophobicContact CD1-CD1 3.4Å; F409-I448 VanDerWaalsContact CD1-CD1 3.4Å; F409-I448 HydrophobicContact CD1-CG2 4.27Å; F409-I448 HydrophobicContact CE1-CD1 3.68Å; F409-I448 HydrophobicContact CG-CD1 4.43Å; F409-I448 HydrophobicContact CG-CG2 4.41Å
410N96.6Very high92.7Very high17 Ų1722.7 Ų22.79%0.09112%0.122CC..THydrogen-bonded Turntrans-106.6122.5174.3-179.75.9000109.8V355 I448 H449 V453V355-N410 HydrophobicContact CG2-CB 3.44Å; V355-N410 VanDerWaalsContact CG2-CB 3.44Å; V355-N410 VanDerWaalsContact CG2-CG 3.43Å; N410-I448 CarbonylContact O-C 3.6Å; N410-I448 WeakPolarHBondContact O-CA 3.14Å; N410-I448 WeakPolarHBondContact O-CB 2.92Å; N410-H449 HydrophobicContact CB-CB 4.29Å; N410-H449 PolarHBondContact O-N 3.5Å; N410-V453 HydrophobicContact CB-CG2 4.03Å
411P96.2Very high92.9Very high42 Ų4221.2 Ų21.227%0.27311%0.113SC..THydrogen-bonded Turncis-106.811.113.939.7-36000115.4L386 I388 T446 Q447L386-P411 HydrophobicContact CD1-CB 3.79Å; I388-P411 WeakPolarHBondContact CD1-O 3.36Å; P411-T446 HydrophobicContact CG-CG2 4.11Å; P411-Q447 VanDerWaalsContact CD-O 3.31Å; P411-Q447 WeakPolarHBondContact CD-O 3.24Å
412C95.8Very high93.1Very high21 Ų2123.6 Ų23.614%0.14212%0.121CC..THydrogen-bonded Turntrans-82.8-16.4-171.569.30000115F409 H414 T446F409-C412 VanDerWaalsContact CB-SG 3.51Å; F409-C412 PolarHBondContact O-N 2.95Å; C412-H414 VanDerWaalsContact C-N 3.26Å; C412-H414 PolarHBondContact O-N 2.89Å; C412-T446 HydrophobicContact CB-CG2 4.14Å
413G96Very high93.6Very high0 Ų019.5 Ų19.50%011%0.105CC..  trans75.97.2176.700000114.9L390 R391 F409 I415L390-G413 WeakPolarHBondContact CA-O 3.42Å; R391-G413 PolarHBondContact N-O 2.77Å; R391-G413 VanDerWaalsContact N-O 3.11Å; F409-G413 PolarHBondContact O-N 2.97Å; G413-I415 PolarHBondContact O-N 2.87Å
414H96.1Very high94.2Very high16 Ų1616.8 Ų16.87%0.0749%0.086CC..EExtended strand (participates in β ladder)trans-63.5128172.4-82.9102.6000110.3R391 C408 F409 C412 F443 C444R391-H414 CarbonylContact O-C 3.47Å; R391-H414 VanDerWaalsContact O-CA 3.24Å; R391-H414 WeakPolarHBondContact O-CA 3.39Å; C408-H414 CarbonylContact C-O 3.55Å; C408-H414 WeakPolarHBondContact CA-O 3.22Å; C408-H414 WeakPolarHBondContact CB-O 3.49Å; F409-H414 HydrophobicContact CD2-CB 3.76Å; F409-H414 VanDerWaalsContact CD2-O 3.28Å; F409-H414 WeakPolarHBondContact CD2-O 3.33Å; F409-H414 PolarHBondContact N-O 2.83Å; C412-H414 VanDerWaalsContact C-N 3.26Å; C412-H414 PolarHBondContact O-N 2.89Å; H414-F443 HydrophobicContact CB-CD2 3.91Å; H414-C444 VanDerWaalsContact CE1-SG 3.57Å; H414-C444 PolarHBondContact ND1-SG 2.83Å; H414-C444 VanDerWaalsContact ND1-SG 3.37Å
415I95.2Very high94.8Very high1 Ų116 Ų161%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-98.6142.7179.969.9175.1000111.1L290 L306 L390 R391 M392 G393 Y399 A405 H407 C408 G413 L455L290-I415 HydrophobicContact CD1-CD1 4.1Å; L306-I415 HydrophobicContact CD1-CD1 3.6Å; L306-I415 HydrophobicContact CD2-CD1 4.25Å; L390-I415 HydrophobicContact CB-CG2 3.98Å; L390-I415 HydrophobicContact CD1-CG2 4.26Å; L390-I415 HydrophobicContact CD2-CG2 3.72Å; L390-I415 HydrophobicContact CG-CG2 4.21Å; R391-I415 PolarHBondContact O-N 3.47Å; M392-I415 HydrophobicContact CB-CG1 4.41Å; M392-I415 HydrophobicContact SD-CD1 3.92Å; M392-I415 HydrophobicContact SD-CG1 3.6Å; G393-I415 PolarHBondContact N-O 2.98Å; Y399-I415 PolarHBondContact OH-O 3.15Å; A405-I415 HydrophobicContact CB-CB 4.27Å; A405-I415 HydrophobicContact CB-CD1 4.02Å; A405-I415 HydrophobicContact CB-CG1 4.02Å; H407-I415 CarbonylContact O-C 3.52Å; H407-I415 VanDerWaalsContact O-CA 3.27Å; H407-I415 WeakPolarHBondContact O-CA 3.44Å; C408-I415 HydrophobicContact CB-CG2 3.88Å; G413-I415 PolarHBondContact O-N 2.87Å; I415-L455 HydrophobicContact CB-CD1 4.38Å; I415-L455 HydrophobicContact CG2-CD1 3.75Å
416A94.4Very high94.9Very high0 Ų016.8 Ų16.80%09%0.086CC..EExtended strand (participates in β ladder)trans-160-179174.200000109.6Y399 A405 T406 H407 T420 V421Y399-A416 HydrophobicContact CD1-CB 4.42Å; Y399-A416 HydrophobicContact CE1-CB 3.68Å; A405-A416 CarbonylContact C-O 3.46Å; A405-A416 VanDerWaalsContact CA-O 3.31Å; A405-A416 WeakPolarHBondContact CA-O 3.44Å; T406-A416 PolarHBondContact N-O 2.91Å; H407-A416 PolarHBondContact N-O 3.27Å; H407-A416 VanDerWaalsContact N-O 3.17Å; H407-A416 PolarHBondContact O-N 3.42Å; A416-T420 HydrophobicContact CB-CG2 3.72Å; A416-V421 HydrophobicContact CB-CG2 3.94Å
417S91.5Very high95Very high0 Ų015.3 Ų15.30%08%0.077CC..  trans-63.3155.4175.369.20000112.6D401 S403 L404 N419 T420 V421D401-S417 WeakPolarHBondContact OD1-CB 3.46Å; D401-S417 PolarHBondContact OD1-OG 2.9Å; S403-S417 WeakPolarHBondContact O-CB 3.32Å; L404-S417 VanDerWaalsContact O-CA 3.26Å; L404-S417 WeakPolarHBondContact O-CA 3.11Å; S417-N419 VanDerWaalsContact C-N 3.28Å; S417-N419 PolarHBondContact O-N 2.67Å; S417-T420 PolarHBondContact O-N 2.77Å; S417-T420 VanDerWaalsContact O-N 3.07Å; S417-T420 WeakPolarHBondContact OG-CB 3.28Å; S417-T420 PolarHBondContact OG-N 3.34Å; S417-T420 PolarHBondContact OG-OG1 2.88Å; S417-V421 WeakPolarHBondContact O-CG2 3.36Å; S417-V421 PolarHBondContact O-N 2.75Å
418E92.8Very high94.8Very high69 Ų6916 Ų1632%0.3228%0.08SC..Hα-helixtrans-49.2-48.6177.4-177168-179.700112.7H407 V421 R422H407-E418 VanDerWaalsContact CE1-CB 3.44Å; H407-E418 WeakPolarHBondContact CE1-CB 3.25Å; H407-E418 VanDerWaalsContact CE1-CD 3.43Å; H407-E418 WeakPolarHBondContact CE1-CG 3.44Å; H407-E418 IonicContact CE1-OE2 3.69Å; H407-E418 WeakPolarHBondContact ND1-CA 3.4Å; H407-E418 WeakPolarHBondContact ND1-CB 3.38Å; E418-V421 PolarHBondContact O-N 2.89Å; E418-R422 VanDerWaalsContact CD-NH1 3.25Å; E418-R422 VanDerWaalsContact O-CB 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.44Å; E418-R422 WeakPolarHBondContact O-CG 3.34Å; E418-R422 PolarHBondContact O-N 2.85Å; E418-R422 IonicContact OE1-CZ 3.89Å; E418-R422 IonicContact OE1-NH1 2.72Å; E418-R422 PolarHBondContact OE1-NH1 2.84Å; E418-R422 IonicContact OE1-NH2 3.53Å; E418-R422 PolarHBondContact OE1-NH2 2.96Å
419N93.6Very high94.5Very high54 Ų5416 Ų1629%0.2898%0.08SC..Hα-helixtrans-68-38.5179.7-67.5-30.1000112.3I207 V400 D401 S417 R422 Y423I207-N419 HydrophobicContact CD1-CB 3.84Å; V400-N419 HydrophobicContact CG2-CB 3.75Å; D401-N419 VanDerWaalsContact OD2-CB 3.27Å; D401-N419 WeakPolarHBondContact OD2-CB 3.42Å; D401-N419 PolarHBondContact OD2-ND2 2.94Å; S417-N419 VanDerWaalsContact C-N 3.28Å; S417-N419 PolarHBondContact O-N 2.67Å; N419-R422 PolarHBondContact O-N 3.39Å; N419-Y423 VanDerWaalsContact O-CB 3.28Å; N419-Y423 WeakPolarHBondContact O-CB 3.45Å; N419-Y423 PolarHBondContact O-N 3.41Å
420T95.5Very high94.1Very high0 Ų016.1 Ų16.10%08%0.081CC..Hα-helixtrans-63.1-48.4176.1-620000110.1Y399 V400 A416 S417 Y423 W424Y399-T420 HydrophobicContact CD1-CG2 4.33Å; Y399-T420 HydrophobicContact CG-CG2 4.47Å; V400-T420 PolarHBondContact N-OG1 3.09Å; A416-T420 HydrophobicContact CB-CG2 3.72Å; S417-T420 PolarHBondContact O-N 2.77Å; S417-T420 VanDerWaalsContact O-N 3.07Å; S417-T420 WeakPolarHBondContact OG-CB 3.28Å; S417-T420 PolarHBondContact OG-N 3.34Å; S417-T420 PolarHBondContact OG-OG1 2.88Å; T420-Y423 PolarHBondContact O-N 2.77Å; T420-W424 PolarHBondContact O-N 2.92Å; T420-W424 VanDerWaalsContact O-N 3.16Å
421V96.4Very high93.3Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-63.8-44.8177.8-178.90000110.8H407 F409 A416 S417 E418 Y423 W424 C425 P452H407-V421 HydrophobicContact CB-CB 3.95Å; H407-V421 HydrophobicContact CB-CG1 4.3Å; H407-V421 HydrophobicContact CB-CG2 3.72Å; F409-V421 HydrophobicContact CD1-CG1 3.93Å; F409-V421 HydrophobicContact CE1-CB 4.23Å; F409-V421 HydrophobicContact CE1-CG1 3.85Å; F409-V421 HydrophobicContact CE1-CG2 4.41Å; F409-V421 HydrophobicContact CE2-CG2 4.16Å; F409-V421 HydrophobicContact CZ-CB 4.29Å; F409-V421 HydrophobicContact CZ-CG1 4.35Å; F409-V421 HydrophobicContact CZ-CG2 4.09Å; A416-V421 HydrophobicContact CB-CG2 3.94Å; S417-V421 WeakPolarHBondContact O-CG2 3.36Å; S417-V421 PolarHBondContact O-N 2.75Å; E418-V421 PolarHBondContact O-N 2.89Å; V421-Y423 PolarHBondContact O-N 3.32Å; V421-W424 PolarHBondContact O-N 2.9Å; V421-C425 WeakPolarHBondContact O-CB 3.41Å; V421-C425 PolarHBondContact O-N 3.36Å; V421-C425 PolarHBondContact O-SG 2.8Å; V421-C425 VanDerWaalsContact O-SG 3.37Å; V421-P452 HydrophobicContact CB-CB 4.39Å; V421-P452 HydrophobicContact CG1-CB 3.66Å; V421-P452 HydrophobicContact CG1-CG 4.22Å
422R95.1Very high92.1Very high73 Ų7317 Ų1728%0.2758%0.08SC..Hα-helixtrans-55.7-49.4174.8-87.3-175.5178.9131.913.8112.4I207 T210 E418 N419 W424 N426 P452I207-R422 HydrophobicContact CG1-CB 4.36Å; T210-R422 HydrophobicContact CG2-CB 4.48Å; E418-R422 VanDerWaalsContact CD-NH1 3.25Å; E418-R422 VanDerWaalsContact O-CB 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.44Å; E418-R422 WeakPolarHBondContact O-CG 3.34Å; E418-R422 PolarHBondContact O-N 2.85Å; E418-R422 IonicContact OE1-CZ 3.89Å; E418-R422 IonicContact OE1-NH1 2.72Å; E418-R422 PolarHBondContact OE1-NH1 2.84Å; E418-R422 IonicContact OE1-NH2 3.53Å; E418-R422 PolarHBondContact OE1-NH2 2.96Å; N419-R422 PolarHBondContact O-N 3.39Å; R422-W424 PolarHBondContact O-N 2.8Å; R422-N426 WeakPolarHBondContact O-CB 3.49Å; R422-N426 PolarHBondContact O-N 2.84Å; R422-N426 VanDerWaalsContact O-N 3.16Å; R422-N426 PolarHBondContact O-ND2 3.49Å; R422-P452 HydrophobicContact CB-CG 4.31Å; R422-P452 HydrophobicContact CG-CB 4.45Å; R422-P452 HydrophobicContact CG-CG 3.57Å
423Y95Very high90.9Very high1 Ų123.6 Ų23.60%0.00410%0.103CC..Hα-helixtrans-55.7-54.8179.9171.9-101.9000110.9P203 I206 M256 V400 N419 T420 V421 N426 L427P203-Y423 HydrophobicContact CB-CD2 3.75Å; P203-Y423 HydrophobicContact CB-CE2 4Å; P203-Y423 HydrophobicContact CB-CG 4.42Å; P203-Y423 HydrophobicContact CG-CD2 4.2Å; P203-Y423 HydrophobicContact CG-CE2 3.97Å; I206-Y423 HydrophobicContact CB-CD2 3.98Å; I206-Y423 HydrophobicContact CB-CE2 4.43Å; I206-Y423 HydrophobicContact CD1-CD2 3.82Å; I206-Y423 HydrophobicContact CD1-CE2 3.47Å; I206-Y423 VanDerWaalsContact CD1-CE2 3.47Å; I206-Y423 HydrophobicContact CG1-CD2 4.22Å; I206-Y423 HydrophobicContact CG1-CE2 4.15Å; I206-Y423 HydrophobicContact CG2-CD2 4.25Å; M256-Y423 HydrophobicContact CE-CD1 3.95Å; M256-Y423 HydrophobicContact CE-CE1 3.22Å; M256-Y423 HydrophobicContact CE-CE2 4.38Å; M256-Y423 VanDerWaalsContact CE-CZ 3.48Å; V400-Y423 HydrophobicContact CG1-CD1 3.84Å; V400-Y423 HydrophobicContact CG1-CE1 4.5Å; V400-Y423 HydrophobicContact CG1-CG 3.88Å; N419-Y423 VanDerWaalsContact O-CB 3.28Å; N419-Y423 WeakPolarHBondContact O-CB 3.45Å; N419-Y423 PolarHBondContact O-N 3.41Å; T420-Y423 PolarHBondContact O-N 2.77Å; V421-Y423 PolarHBondContact O-N 3.32Å; Y423-N426 CarbonylContact O-C 3.6Å; Y423-N426 PolarHBondContact O-N 3.45Å; Y423-N426 VanDerWaalsContact O-N 3.17Å; Y423-L427 HydrophobicContact CE1-CD2 3.89Å; Y423-L427 HydrophobicContact CE2-CD1 4.39Å; Y423-L427 WeakPolarHBondContact O-CB 3.26Å; Y423-L427 PolarHBondContact O-N 3.16Å
424W96Very high89.7Confident1 Ų127.2 Ų27.20%0.00412%0.122CC..Hα-helixtrans-72.3-32.7-175.8-69.5111.7000113.9L13 M256 I258 L267 F398 F409 T420 V421 R422 N426 L427 L429 P442L13-W424 HydrophobicContact CD1-CH2 4.48Å; L13-W424 HydrophobicContact CD2-CH2 4.1Å; L13-W424 HydrophobicContact CD2-CZ3 3.82Å; L13-W424 HydrophobicContact CG-CH2 4.46Å; M256-W424 HydrophobicContact CE-CZ2 4.14Å; I258-W424 HydrophobicContact CD1-CH2 3.83Å; I258-W424 HydrophobicContact CD1-CZ3 4.02Å; L267-W424 HydrophobicContact CD1-CH2 4.39Å; L267-W424 HydrophobicContact CD2-CH2 4.43Å; L267-W424 HydrophobicContact CD2-CZ2 4.23Å; F398-W424 HydrophobicContact CB-CZ2 4.2Å; F398-W424 HydrophobicContact CD1-CZ2 4.47Å; F398-W424 PolarHBondContact O-NE1 3.3Å; F409-W424 HydrophobicContact CE1-CB 3.59Å; F409-W424 HydrophobicContact CZ-CB 3.69Å; F409-W424 HydrophobicContact CZ-CG 4.19Å; T420-W424 PolarHBondContact O-N 2.92Å; T420-W424 VanDerWaalsContact O-N 3.16Å; V421-W424 PolarHBondContact O-N 2.9Å; R422-W424 PolarHBondContact O-N 2.8Å; W424-N426 PolarHBondContact O-N 2.75Å; W424-L427 HydrophobicContact CE3-CD2 3.68Å; W424-L427 HydrophobicContact CH2-CD2 4.36Å; W424-L427 HydrophobicContact CZ3-CD2 3.48Å; W424-L427 VanDerWaalsContact CZ3-CD2 3.48Å; W424-L429 HydrophobicContact CZ3-CD1 4.42Å; W424-P442 HydrophobicContact CB-CG 4.46Å; W424-P442 HydrophobicContact CD2-CB 3.68Å; W424-P442 HydrophobicContact CD2-CG 3.67Å; W424-P442 HydrophobicContact CE3-CB 3.93Å; W424-P442 HydrophobicContact CE3-CG 4.35Å; W424-P442 HydrophobicContact CG-CB 4.24Å; W424-P442 HydrophobicContact CG-CG 3.69Å; W424-P442 HydrophobicContact CH2-CB 3.97Å; W424-P442 HydrophobicContact CZ2-CB 3.71Å; W424-P442 HydrophobicContact CZ2-CG 4.27Å; W424-P442 HydrophobicContact CZ3-CB 4.07Å
425C94Very high88.9Confident0 Ų027.3 Ų27.30%012%0.123CC..Hα-helixtrans-62.8-26.1171.4-81.40000112.8V421 A439 I448 H449 S450 P452V421-C425 WeakPolarHBondContact O-CB 3.41Å; V421-C425 PolarHBondContact O-N 3.36Å; V421-C425 PolarHBondContact O-SG 2.8Å; V421-C425 VanDerWaalsContact O-SG 3.37Å; C425-A439 VanDerWaalsContact O-CB 3.28Å; C425-A439 WeakPolarHBondContact O-CB 3.4Å; C425-I448 HydrophobicContact CB-CD1 4.49Å; C425-H449 PolarHBondContact SG-O 2.73Å; C425-S450 WeakPolarHBondContact O-CA 3.49Å; C425-P452 HydrophobicContact CB-CG 4.25Å
426N91.2Very high88.4Confident17 Ų1731.8 Ų31.89%0.09114%0.143CC..Hα-helixtrans-109.6-6.4-175.2-68.5-85.9000113.4I206 T210 I220 R422 Y423 W424I206-N426 HydrophobicContact CG2-CB 3.57Å; T210-N426 HydrophobicContact CG2-CB 4.24Å; T210-N426 VanDerWaalsContact CG2-ND2 3.29Å; T210-N426 WeakPolarHBondContact CG2-ND2 3.47Å; I220-N426 VanDerWaalsContact CD1-O 3.29Å; I220-N426 WeakPolarHBondContact CD1-O 3.42Å; R422-N426 WeakPolarHBondContact O-CB 3.49Å; R422-N426 PolarHBondContact O-N 2.84Å; R422-N426 VanDerWaalsContact O-N 3.16Å; R422-N426 PolarHBondContact O-ND2 3.49Å; Y423-N426 CarbonylContact O-C 3.6Å; Y423-N426 PolarHBondContact O-N 3.45Å; Y423-N426 VanDerWaalsContact O-N 3.17Å; W424-N426 PolarHBondContact O-N 2.75Å
427L92.5Very high88.1Confident1 Ų133 Ų331%0.00515%0.149CC..  trans-86114.8173.1-173.779.5000110.2L199 I206 I258 Y423 W424 L429L199-L427 HydrophobicContact CD2-CD1 3.57Å; L199-L427 HydrophobicContact CD2-CG 4.35Å; I206-L427 HydrophobicContact CD1-CB 4.14Å; I206-L427 HydrophobicContact CD1-CD1 3.28Å; I206-L427 HydrophobicContact CD1-CG 4.32Å; I258-L427 HydrophobicContact CD1-CD2 4.1Å; I258-L427 HydrophobicContact CG1-CD2 4.04Å; Y423-L427 HydrophobicContact CE1-CD2 3.89Å; Y423-L427 HydrophobicContact CE2-CD1 4.39Å; Y423-L427 WeakPolarHBondContact O-CB 3.26Å; Y423-L427 PolarHBondContact O-N 3.16Å; W424-L427 HydrophobicContact CE3-CD2 3.68Å; W424-L427 HydrophobicContact CH2-CD2 4.36Å; W424-L427 HydrophobicContact CZ3-CD2 3.48Å; W424-L427 VanDerWaalsContact CZ3-CD2 3.48Å; L427-L429 HydrophobicContact CD2-CD2 3.72Å; L427-L429 HydrophobicContact CD2-CG 4.47Å; L427-L429 HydrophobicContact CG-CD2 4.13Å; L427-L429 PolarHBondContact O-N 3.16Å
428Q91.3Very high88.1Confident22 Ų2235.5 Ų35.510%0.10316%0.161CC..  trans-85.2114.3177.9-57.4-61-36.500111.2I220 W224 L437 A439I220-Q428 HydrophobicContact CB-CB 4.48Å; I220-Q428 HydrophobicContact CB-CG 4.46Å; I220-Q428 HydrophobicContact CD1-CB 4.43Å; I220-Q428 HydrophobicContact CD1-CG 3.8Å; I220-Q428 HydrophobicContact CG2-CB 3.87Å; I220-Q428 HydrophobicContact CG2-CG 4.34Å; W224-Q428 PolarHBondContact NE1-O 2.8Å; Q428-L437 HydrophobicContact CB-CB 3.95Å; Q428-L437 HydrophobicContact CB-CD2 4.17Å; Q428-L437 HydrophobicContact CB-CG 4.45Å; Q428-L437 PolarHBondContact OE1-O 3.21Å; Q428-A439 VanDerWaalsContact OE1-N 3.07Å
429L92.1Very high88.1Confident1 Ų132.5 Ų32.51%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-95.4144.8179-61.5-178.6000111.2L13 W224 I258 W424 L427 L437 H438 R440L13-L429 HydrophobicContact CD2-CD1 3.53Å; W224-L429 HydrophobicContact CZ2-CD2 4.34Å; I258-L429 HydrophobicContact CG1-CD2 4.43Å; I258-L429 HydrophobicContact CG2-CD2 4.08Å; W424-L429 HydrophobicContact CZ3-CD1 4.42Å; L427-L429 HydrophobicContact CD2-CD2 3.72Å; L427-L429 HydrophobicContact CD2-CG 4.47Å; L427-L429 HydrophobicContact CG-CD2 4.13Å; L427-L429 PolarHBondContact O-N 3.16Å; L429-L437 WeakPolarHBondContact O-CA 3.38Å; L429-H438 PolarHBondContact N-O 3.05Å; L429-H438 PolarHBondContact O-N 3Å; L429-R440 HydrophobicContact CD1-CB 4.26Å
430L89.6Confident88.2Confident3 Ų331.5 Ų31.52%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-66.7141.5177.9-68163.4000112M197 W224 M236 D260 F435 E436 L437 R440M197-L430 HydrophobicContact CB-CD1 3.79Å; M197-L430 HydrophobicContact CG-CD1 3.77Å; W224-L430 HydrophobicContact CD2-CD1 3.78Å; W224-L430 HydrophobicContact CD2-CG 4.05Å; W224-L430 HydrophobicContact CE3-CD1 3.63Å; W224-L430 HydrophobicContact CE3-CG 4.35Å; W224-L430 HydrophobicContact CG-CD1 4.48Å; W224-L430 HydrophobicContact CH2-CD1 4.05Å; W224-L430 HydrophobicContact CH2-CG 4.3Å; W224-L430 HydrophobicContact CZ2-CD1 4.2Å; W224-L430 HydrophobicContact CZ2-CG 4.02Å; W224-L430 HydrophobicContact CZ3-CD1 3.77Å; W224-L430 HydrophobicContact CZ3-CG 4.47Å; M236-L430 HydrophobicContact CE-CD1 3.3Å; M236-L430 HydrophobicContact CE-CD2 3.46Å; M236-L430 VanDerWaalsContact CE-CD2 3.46Å; M236-L430 HydrophobicContact CE-CG 3.92Å; M236-L430 HydrophobicContact SD-CD2 3.74Å; D260-L430 HydrophobicContact CB-CD1 4.08Å; L430-F435 HydrophobicContact CD2-CB 4.19Å; L430-F435 HydrophobicContact CD2-CD1 4.23Å; L430-E436 CarbonylContact C-O 3.54Å; L430-E436 WeakPolarHBondContact CA-O 3.24Å; L430-L437 HydrophobicContact CD2-CD2 3.57Å; L430-L437 HydrophobicContact CD2-CG 4.32Å; L430-L437 HydrophobicContact CG-CD2 4.02Å; L430-R440 PolarHBondContact O-NH1 3.03Å
431N79.5Confident88.2Confident33 Ų3331.5 Ų31.518%0.17614%0.14CC..PPolyproline II helixtrans-83.6151.1164.6-167.49.8000110.7Y433 E436 R440N431-Y433 VanDerWaalsContact C-N 3.32Å; N431-Y433 PolarHBondContact O-N 3.45Å; N431-E436 HydrophobicContact CB-CB 4.06Å; N431-E436 WeakPolarHBondContact CB-O 3.22Å; N431-E436 PolarHBondContact N-O 2.95Å; N431-R440 PolarHBondContact OD1-NH2 3.26Å
432R71Confident88.2Confident44 Ų4431.5 Ų31.517%0.16614%0.14CC..THydrogen-bonded Turntrans-60.6-36.6-175.6-53.8-177.5-172.7-119-4113.1E107 P108 R240 G263E107-R432 IonicContact OE2-CZ 2.93Å; E107-R432 IonicContact OE2-NH1 2.64Å; E107-R432 PolarHBondContact OE2-NH1 2.8Å; P108-R432 PolarHBondContact O-NH2 2.93Å; R240-R432 PolarHBondContact NH2-O 2.86Å; G263-R432 PolarHBondContact O-NH1 2.83Å; G263-R432 PolarHBondContact O-NH2 2.92Å
433Y69.1Low88.1Confident160 Ų16028 Ų2863%0.62713%0.127SC*.THydrogen-bonded Turntrans-99.2-34.4-160.8-56.6-67.3000114.8N431N431-Y433 VanDerWaalsContact C-N 3.32Å; N431-Y433 PolarHBondContact O-N 3.45Å
434N72.8Confident88.1Confident75 Ų7529.4 Ų29.440%0.40114%0.137SC..THydrogen-bonded Turntrans-143.613.2-163.257.94.7000114.2E436N434-E436 WeakPolarHBondContact ND2-CG 3.46Å; N434-E436 PolarHBondContact ND2-OE1 3.23Å; N434-E436 VanDerWaalsContact ND2-OE1 3.09Å; N434-E436 PolarHBondContact ND2-OE2 3.47Å; N434-E436 PolarHBondContact O-N 2.94Å; N434-E436 VanDerWaalsContact O-N 3.13Å; N434-E436 VanDerWaalsContact OD1-CB 3.28Å; N434-E436 WeakPolarHBondContact OD1-CB 3.41Å; N434-E436 WeakPolarHBondContact OD1-CG 3.22Å; N434-E436 PolarHBondContact OD1-N 2.78Å; N434-E436 VanDerWaalsContact OD1-N 3.12Å; N434-E436 PolarHBondContact OD1-OE2 3.01Å
435F78Confident87.9Confident19 Ų1931.1 Ų31.18%0.08315%0.146CC..  trans57.919.7-175.2-52.8-69.6000114.3M197 R221 M236 R237 R240 L430M197-F435 HydrophobicContact CE-CE1 3.64Å; M197-F435 HydrophobicContact CE-CZ 4.1Å; R221-F435 PolarHBondContact NH1-O 3.44Å; M236-F435 HydrophobicContact SD-CB 4.25Å; M236-F435 HydrophobicContact SD-CD1 3.95Å; M236-F435 HydrophobicContact SD-CG 4.27Å; R237-F435 HydrophobicContact CG-CZ 4.41Å; R240-F435 HydrophobicContact CG-CE2 4.14Å; R240-F435 HydrophobicContact CG-CZ 4Å; L430-F435 HydrophobicContact CD2-CB 4.19Å; L430-F435 HydrophobicContact CD2-CD1 4.23Å
436E84.6Confident87.9Confident94 Ų9433.1 Ų33.144%0.43916%0.158SC..  trans-62149.3168.4-79.5170.8174.600110.3L430 N431 N434L430-E436 CarbonylContact C-O 3.54Å; L430-E436 WeakPolarHBondContact CA-O 3.24Å; N431-E436 HydrophobicContact CB-CB 4.06Å; N431-E436 WeakPolarHBondContact CB-O 3.22Å; N431-E436 PolarHBondContact N-O 2.95Å; N434-E436 WeakPolarHBondContact ND2-CG 3.46Å; N434-E436 PolarHBondContact ND2-OE1 3.23Å; N434-E436 VanDerWaalsContact ND2-OE1 3.09Å; N434-E436 PolarHBondContact ND2-OE2 3.47Å; N434-E436 PolarHBondContact O-N 2.94Å; N434-E436 VanDerWaalsContact O-N 3.13Å; N434-E436 VanDerWaalsContact OD1-CB 3.28Å; N434-E436 WeakPolarHBondContact OD1-CB 3.41Å; N434-E436 WeakPolarHBondContact OD1-CG 3.22Å; N434-E436 PolarHBondContact OD1-N 2.78Å; N434-E436 VanDerWaalsContact OD1-N 3.12Å; N434-E436 PolarHBondContact OD1-OE2 3.01Å
437L88.9Confident88.1Confident25 Ų2537.4 Ų37.413%0.13118%0.177CC..EExtended strand (participates in β ladder)trans-117.7120.3-170.7-80178.1000108.8R221 Q428 L429 L430R221-L437 HydrophobicContact CB-CD1 3.53Å; R221-L437 HydrophobicContact CG-CD1 3.84Å; Q428-L437 HydrophobicContact CB-CB 3.95Å; Q428-L437 HydrophobicContact CB-CD2 4.17Å; Q428-L437 HydrophobicContact CB-CG 4.45Å; Q428-L437 PolarHBondContact OE1-O 3.21Å; L429-L437 WeakPolarHBondContact O-CA 3.38Å; L430-L437 HydrophobicContact CD2-CD2 3.57Å; L430-L437 HydrophobicContact CD2-CG 4.32Å; L430-L437 HydrophobicContact CG-CD2 4.02Å
438H90.6Very high88.2Confident54 Ų5437.9 Ų37.925%0.2518%0.18CC..EExtended strand (participates in β ladder)trans-139.8142.7177.8-63.5-59.8000111.1L429 Q447L429-H438 PolarHBondContact N-O 3.05Å; L429-H438 PolarHBondContact O-N 3Å; H438-Q447 HydrophobicContact CB-CG 4.24Å
439A93Very high88.3Confident5 Ų542.2 Ų42.24%0.04120%0.2CC..  trans-66.3134.7165.300000109.7C425 Q428 I448C425-A439 VanDerWaalsContact O-CB 3.28Å; C425-A439 WeakPolarHBondContact O-CB 3.4Å; Q428-A439 VanDerWaalsContact OE1-N 3.07Å; A439-I448 HydrophobicContact CB-CD1 4.28Å; A439-I448 HydrophobicContact CB-CG1 3.76Å; A439-I448 PolarHBondContact O-N 2.88Å
440R94.9Very high88.1Confident33 Ų3345.2 Ų45.213%0.12522%0.221CC..BIsolated β-bridgetrans-135148.8176.7-62-176.7175.6118.92.5110.7L429 L430 N431 L445 T446 I448L429-R440 HydrophobicContact CD1-CB 4.26Å; L430-R440 PolarHBondContact O-NH1 3.03Å; N431-R440 PolarHBondContact OD1-NH2 3.26Å; R440-L445 HydrophobicContact CB-CD2 4.45Å; R440-L445 WeakPolarHBondContact CD-O 3.33Å; R440-T446 VanDerWaalsContact CA-O 3.31Å; R440-T446 WeakPolarHBondContact CA-O 2.89Å; R440-I448 VanDerWaalsContact C-CD1 3.45Å
441C96.1Very high88.2Confident0 Ų052.9 Ų52.90%025%0.254CS..  trans-63.2125.9169.7179.70000109F409 F443 C444 L445 T446 I448F409-C441 HydrophobicContact CG-CB 4.38Å; C441-F443 PolarHBondContact O-N 2.79Å; C441-C444 PolarHBondContact O-N 2.65Å; C441-L445 VanDerWaalsContact O-CA 3.25Å; C441-L445 WeakPolarHBondContact O-CA 3.23Å; C441-L445 PolarHBondContact O-N 3.36Å; C441-T446 PolarHBondContact N-O 3.31Å; C441-I448 HydrophobicContact CB-CG2 3.81Å
442P96.2Very high88.8Confident0 Ų052.5 Ų52.50%025%0.254CS..THydrogen-bonded Turntrans-66.5-23.6-178.731.5-40.3000112.2L13 G14 F398 F409 W424L13-P442 HydrophobicContact CG-CB 4.41Å; G14-P442 PolarHBondContact N-O 2.84Å; F398-P442 HydrophobicContact CB-CB 4.02Å; F398-P442 HydrophobicContact CB-CG 4.1Å; F398-P442 HydrophobicContact CD1-CB 4.49Å; F398-P442 HydrophobicContact CD2-CB 3.8Å; F398-P442 HydrophobicContact CD2-CG 4.31Å; F398-P442 HydrophobicContact CE2-CB 4.41Å; F398-P442 WeakPolarHBondContact CE2-O 3.19Å; F398-P442 HydrophobicContact CG-CB 3.87Å; F398-P442 HydrophobicContact CG-CG 4.4Å; F409-P442 HydrophobicContact CZ-CG 4.46Å; W424-P442 HydrophobicContact CB-CG 4.46Å; W424-P442 HydrophobicContact CD2-CB 3.68Å; W424-P442 HydrophobicContact CD2-CG 3.67Å; W424-P442 HydrophobicContact CE3-CB 3.93Å; W424-P442 HydrophobicContact CE3-CG 4.35Å; W424-P442 HydrophobicContact CG-CB 4.24Å; W424-P442 HydrophobicContact CG-CG 3.69Å; W424-P442 HydrophobicContact CH2-CB 3.97Å; W424-P442 HydrophobicContact CZ2-CB 3.71Å; W424-P442 HydrophobicContact CZ2-CG 4.27Å; W424-P442 HydrophobicContact CZ3-CB 4.07Å
443F94.7Very high90.1Very high1 Ų151.1 Ų51.10%0.00425%0.25CC..THydrogen-bonded Turntrans-79.5-38.1-176.3-56.7-66.8000112.7G14 N16 G393 E395 F398 Y399 F409 H414 C441G14-F443 CarbonylContact C-O 3.49Å; G14-F443 VanDerWaalsContact CA-O 3.24Å; G14-F443 WeakPolarHBondContact CA-O 3.29Å; N16-F443 HydrophobicContact CB-CB 4.12Å; N16-F443 WeakPolarHBondContact CB-O 3.36Å; N16-F443 PolarHBondContact N-O 2.93Å; N16-F443 WeakPolarHBondContact OD1-CD1 3.31Å; G393-F443 VanDerWaalsContact CA-CE1 3.44Å; E395-F443 HydrophobicContact CB-CD1 4.49Å; E395-F443 HydrophobicContact CB-CE1 4.49Å; F398-F443 HydrophobicContact CB-CE1 3.85Å; F398-F443 HydrophobicContact CB-CZ 4.08Å; F398-F443 AromaticContact CD2-CD1 3.55Å; F398-F443 HydrophobicContact CD2-CD1 3.55Å; F398-F443 AromaticContact CD2-CE1 3.62Å; F398-F443 HydrophobicContact CD2-CE1 3.62Å; F398-F443 HydrophobicContact CD2-CG 4.4Å; F398-F443 HydrophobicContact CE2-CD1 4.26Å; F398-F443 HydrophobicContact CG-CE1 4.23Å; Y399-F443 HydrophobicContact CD2-CZ 4.25Å; Y399-F443 AromaticContact CE2-CE1 3.98Å; Y399-F443 HydrophobicContact CE2-CE1 3.98Å; Y399-F443 AromaticContact CE2-CZ 3.61Å; Y399-F443 HydrophobicContact CE2-CZ 3.61Å; F409-F443 HydrophobicContact CE2-CD2 4.09Å; F409-F443 AromaticContact CE2-CE2 3.88Å; F409-F443 HydrophobicContact CE2-CE2 3.88Å; H414-F443 HydrophobicContact CB-CD2 3.91Å; C441-F443 PolarHBondContact O-N 2.79Å
444C93.9Very high91.4Very high30 Ų3048.8 Ų48.820%0.20324%0.243CC..THydrogen-bonded Turntrans-131.91.7-172.358.20000115H414 C441 T446H414-C444 VanDerWaalsContact CE1-SG 3.57Å; H414-C444 PolarHBondContact ND1-SG 2.83Å; H414-C444 VanDerWaalsContact ND1-SG 3.37Å; C441-C444 PolarHBondContact O-N 2.65Å; C444-T446 PolarHBondContact O-N 2.78Å; C444-T446 PolarHBondContact SG-OG1 3.08Å
445L92.9Very high92.5Very high37 Ų3745.6 Ų45.619%0.19423%0.226CC..  trans58.55.4-177.3-69.3172000116.4L13 P108 R440 C441 Q447L13-L445 HydrophobicContact CB-CD2 3.92Å; L13-L445 WeakPolarHBondContact O-CD1 3.37Å; P108-L445 HydrophobicContact CB-CD1 4.06Å; P108-L445 HydrophobicContact CG-CD1 3.89Å; R440-L445 HydrophobicContact CB-CD2 4.45Å; R440-L445 WeakPolarHBondContact CD-O 3.33Å; C441-L445 VanDerWaalsContact O-CA 3.25Å; C441-L445 WeakPolarHBondContact O-CA 3.23Å; C441-L445 PolarHBondContact O-N 3.36Å; L445-Q447 PolarHBondContact O-N 3.34Å
446T93.9Very high93.2Very high41 Ų4147.6 Ų47.625%0.25224%0.237SC..  trans-53132.1168.4-51.40000109.1P411 C412 R440 C441 C444 I448P411-T446 HydrophobicContact CG-CG2 4.11Å; C412-T446 HydrophobicContact CB-CG2 4.14Å; R440-T446 VanDerWaalsContact CA-O 3.31Å; R440-T446 WeakPolarHBondContact CA-O 2.89Å; C441-T446 PolarHBondContact N-O 3.31Å; C444-T446 PolarHBondContact O-N 2.78Å; C444-T446 PolarHBondContact SG-OG1 3.08Å; T446-I448 WeakPolarHBondContact O-CG2 3.36Å; T446-I448 PolarHBondContact O-N 3.24Å
447Q93.9Very high93.4Very high108 Ų10844.9 Ų44.951%0.50522%0.224SC..BIsolated β-bridgetrans-62.7129171.9179.4170.5-28.900109.2P411 H438 L445P411-Q447 VanDerWaalsContact CD-O 3.31Å; P411-Q447 WeakPolarHBondContact CD-O 3.24Å; H438-Q447 HydrophobicContact CB-CG 4.24Å; L445-Q447 PolarHBondContact O-N 3.34Å
448I95Very high93.2Very high11 Ų1147.3 Ų47.36%0.05623%0.234CC..  trans-114.9153.7-173.756.7177.7000111.5F409 N410 C425 A439 R440 C441 T446F409-I448 HydrophobicContact CB-CG2 3.95Å; F409-I448 HydrophobicContact CD1-CD1 3.4Å; F409-I448 VanDerWaalsContact CD1-CD1 3.4Å; F409-I448 HydrophobicContact CD1-CG2 4.27Å; F409-I448 HydrophobicContact CE1-CD1 3.68Å; F409-I448 HydrophobicContact CG-CD1 4.43Å; F409-I448 HydrophobicContact CG-CG2 4.41Å; N410-I448 CarbonylContact O-C 3.6Å; N410-I448 WeakPolarHBondContact O-CA 3.14Å; N410-I448 WeakPolarHBondContact O-CB 2.92Å; C425-I448 HydrophobicContact CB-CD1 4.49Å; A439-I448 HydrophobicContact CB-CD1 4.28Å; A439-I448 HydrophobicContact CB-CG1 3.76Å; A439-I448 PolarHBondContact O-N 2.88Å; R440-I448 VanDerWaalsContact C-CD1 3.45Å; C441-I448 HydrophobicContact CB-CG2 3.81Å; T446-I448 WeakPolarHBondContact O-CG2 3.36Å; T446-I448 PolarHBondContact O-N 3.24Å
449H92.5Very high92.5Very high112 Ų11246.3 Ų46.352%0.51923%0.234SC..  trans-67.4147.6168.9-70.5-119.1000110.1N410 C425 K451N410-H449 HydrophobicContact CB-CB 4.29Å; N410-H449 PolarHBondContact O-N 3.5Å; C425-H449 PolarHBondContact SG-O 2.73Å; H449-K451 PolarHBondContact O-N 3.15Å
450S88.4Confident91.6Very high64 Ų6453.6 Ų53.645%0.44827%0.272SS..SBendtrans-70.6-10178.254.80000114.4C425 P452C425-S450 WeakPolarHBondContact O-CA 3.49Å; S450-P452 WeakPolarHBondContact O-CD 3.48Å
451K91.4Very high90.7Very high164 Ų16454.7 Ų54.771%0.71328%0.28SS*.SBendtrans-97.7115.1178.3-172.9178.3178.1-177.30110.7H449H449-K451 PolarHBondContact O-N 3.15Å
452P93.8Very high89.8Confident26 Ų2657.2 Ų57.217%0.16930%0.298CS..  trans-58.4145.7167.7-23.533.6000111.8V421 R422 C425 S450V421-P452 HydrophobicContact CB-CB 4.39Å; V421-P452 HydrophobicContact CG1-CB 3.66Å; V421-P452 HydrophobicContact CG1-CG 4.22Å; R422-P452 HydrophobicContact CB-CG 4.31Å; R422-P452 HydrophobicContact CG-CB 4.45Å; R422-P452 HydrophobicContact CG-CG 3.57Å; C425-P452 HydrophobicContact CB-CG 4.25Å; S450-P452 WeakPolarHBondContact O-CD 3.48Å
453V97.2Very high88.5Confident14 Ų1463.8 Ų63.89%0.08533%0.328CS..EExtended strand (participates in β ladder)trans-105.4113.3177-178.30000108.5V355 H407 C408 N410V355-V453 HydrophobicContact CG2-CG2 3.97Å; V355-V453 VanDerWaalsContact O-CG1 3.3Å; V355-V453 WeakPolarHBondContact O-CG1 3.2Å; V355-V453 WeakPolarHBondContact O-CG2 3.33Å; H407-V453 CarbonylContact C-O 3.45Å; H407-V453 WeakPolarHBondContact CA-O 3.18Å; H407-V453 WeakPolarHBondContact CB-O 3.3Å; C408-V453 PolarHBondContact N-O 2.73Å; C408-V453 PolarHBondContact O-N 2.81Å; N410-V453 HydrophobicContact CB-CG2 4.03Å
454K96.4Very high87.7Confident111 Ų11171.5 Ų71.548%0.48336%0.364SS..EExtended strand (participates in β ladder)trans-70.1127.1169.5-176176.9179.8179.40108.2G358 E463G358-K454 VanDerWaalsContact CA-O 3.31Å; G358-K454 WeakPolarHBondContact CA-O 3.09Å; K454-E463 IonicContact NZ-OE1 2.65Å
455L95.7Very high87Confident8 Ų875 Ų754%0.04238%0.378CS..  trans-79.7134.8176.8-61.8175.3000109.8V353 V360 L390 T406 C408 I415 F457V353-L455 HydrophobicContact CB-CD2 4.32Å; V353-L455 HydrophobicContact CG2-CD2 3.78Å; V360-L455 HydrophobicContact CG2-CB 4.15Å; V360-L455 HydrophobicContact CG2-CD2 4.05Å; L390-L455 HydrophobicContact CD1-CD1 4Å; L390-L455 HydrophobicContact CD1-CD2 4.04Å; L390-L455 HydrophobicContact CD2-CD2 4.06Å; T406-L455 WeakPolarHBondContact O-CB 3.42Å; T406-L455 PolarHBondContact O-N 3.17Å; C408-L455 HydrophobicContact CB-CD1 4.41Å; C408-L455 HydrophobicContact CB-CD2 4.01Å; C408-L455 HydrophobicContact CB-CG 4.41Å; I415-L455 HydrophobicContact CB-CD1 4.38Å; I415-L455 HydrophobicContact CG2-CD1 3.75Å; L455-F457 HydrophobicContact CB-CD2 4.43Å; L455-F457 HydrophobicContact CB-CE1 4.22Å; L455-F457 HydrophobicContact CB-CE2 3.9Å; L455-F457 HydrophobicContact CB-CZ 3.8Å; L455-F457 HydrophobicContact CD1-CE1 4.19Å; L455-F457 HydrophobicContact CD1-CE2 4.24Å; L455-F457 HydrophobicContact CD1-CZ 3.55Å; L455-F457 HydrophobicContact CG-CZ 4.31Å
456L93.5Very high86Confident62 Ų6274.2 Ų74.233%0.32537%0.373SS..BIsolated β-bridgetrans-111.787.9177.9-55.7178.6000107.7G358 H359 V360G358-L456 PolarHBondContact O-N 3.26Å; H359-L456 WeakPolarHBondContact NE2-CD1 3.07Å; V360-L456 PolarHBondContact N-O 2.95Å; V360-L456 VanDerWaalsContact N-O 3.17Å
457F89.2Confident84.9Confident37 Ų3775.7 Ų75.716%0.16238%0.379CS..  trans-75.5141.5174.6-59.9-59.3000110.1L290 I295 V360 L390 L455 F466L290-F457 HydrophobicContact CD2-CE2 4.15Å; L290-F457 HydrophobicContact CD2-CZ 4.4Å; I295-F457 HydrophobicContact CD1-CB 4.14Å; I295-F457 HydrophobicContact CD1-CD1 3.62Å; I295-F457 HydrophobicContact CD1-CD2 4.2Å; I295-F457 HydrophobicContact CD1-CE1 3.96Å; I295-F457 HydrophobicContact CD1-CG 3.73Å; I295-F457 HydrophobicContact CD1-CZ 4.39Å; I295-F457 HydrophobicContact CG1-CB 4.07Å; I295-F457 HydrophobicContact CG1-CD1 4.31Å; I295-F457 HydrophobicContact CG1-CG 4.22Å; I295-F457 HydrophobicContact CG2-CB 3.89Å; I295-F457 HydrophobicContact CG2-CD1 3.83Å; I295-F457 HydrophobicContact CG2-CG 4.23Å; V360-F457 HydrophobicContact CB-CD1 3.82Å; V360-F457 HydrophobicContact CB-CE1 4.18Å; V360-F457 HydrophobicContact CG1-CD1 3.97Å; V360-F457 HydrophobicContact CG1-CE1 4.05Å; V360-F457 HydrophobicContact CG2-CD1 3.66Å; V360-F457 HydrophobicContact CG2-CE1 3.71Å; L390-F457 HydrophobicContact CD1-CE1 4.39Å; L455-F457 HydrophobicContact CB-CD2 4.43Å; L455-F457 HydrophobicContact CB-CE1 4.22Å; L455-F457 HydrophobicContact CB-CE2 3.9Å; L455-F457 HydrophobicContact CB-CZ 3.8Å; L455-F457 HydrophobicContact CD1-CE1 4.19Å; L455-F457 HydrophobicContact CD1-CE2 4.24Å; L455-F457 HydrophobicContact CD1-CZ 3.55Å; L455-F457 HydrophobicContact CG-CZ 4.31Å; F457-F466 HydrophobicContact CD2-CZ 4.05Å; F457-F466 HydrophobicContact CE2-CZ 4.49Å
458Q84.8Confident84Confident75 Ų7575 Ų7535%0.3538%0.376SS..BIsolated β-bridgetrans-95.3116.5168.5-56.7-58.1-61.200107.7I295 Q296 P298I295-Q458 CarbonylContact C-O 3.5Å; I295-Q458 WeakPolarHBondContact CA-O 3.22Å; Q296-Q458 PolarHBondContact N-O 2.93Å; P298-Q458 HydrophobicContact CB-CG 4.1Å; P298-Q458 HydrophobicContact CG-CG 3.74Å
459S75.9Confident82.9Confident34 Ų3476.6 Ų76.624%0.23838%0.384CS..  trans-137.4152.6174.657.70000109.4L461S459-L461 PolarHBondContact O-N 2.91Å; S459-L461 PolarHBondContact OG-O 2.91Å
460D73.3Confident81.4Confident158 Ų15871.6 Ų71.685%0.84536%0.361SS*.SBendtrans-72.6-15171.6-60.3-33.2000111.9
461L75.6Confident80.5Confident55 Ų5574.3 Ų74.329%0.28837%0.365SS..SBendtrans-71.5136.8172.5-57.6178.6000110.4A293 S459 E465 F466 L469A293-L461 HydrophobicContact CB-CD1 4.36Å; S459-L461 PolarHBondContact O-N 2.91Å; S459-L461 PolarHBondContact OG-O 2.91Å; L461-E465 HydrophobicContact CB-CB 4.08Å; L461-E465 HydrophobicContact CD2-CB 4.19Å; L461-F466 HydrophobicContact CB-CB 4.23Å; L461-F466 HydrophobicContact CD1-CD2 4.44Å; L461-L469 HydrophobicContact CD1-CD2 3.95Å
462S76.6Confident79.3Confident54 Ų5472.2 Ų72.238%0.37836%0.358SS..  trans-59.8159.916361.50000111.2E464 E465 F466S462-E464 PolarHBondContact O-N 2.86Å; S462-E465 WeakPolarHBondContact CB-OE2 3.41Å; S462-E465 PolarHBondContact N-OE2 2.55Å; S462-E465 PolarHBondContact O-N 3.03Å; S462-E465 WeakPolarHBondContact OG-CB 3.4Å; S462-E465 VanDerWaalsContact OG-CD 3.28Å; S462-E465 VanDerWaalsContact OG-CG 3.25Å; S462-E465 WeakPolarHBondContact OG-CG 3.34Å; S462-E465 PolarHBondContact OG-N 2.92Å; S462-E465 PolarHBondContact OG-OE2 3.34Å; S462-F466 WeakPolarHBondContact O-CB 3.42Å; S462-F466 PolarHBondContact O-N 3.01Å
463E70.8Confident77.9Confident137 Ų13773.4 Ų73.464%0.6436%0.361SS*.Hα-helixtrans-56.6-34.3176.5-172.9169.1-164.200111.4K454 L467K454-E463 IonicContact NZ-OE1 2.65Å; E463-L467 HydrophobicContact CG-CD1 4.25Å; E463-L467 WeakPolarHBondContact O-CB 3.42Å; E463-L467 WeakPolarHBondContact O-CD1 3.42Å; E463-L467 WeakPolarHBondContact O-CG 3.4Å; E463-L467 PolarHBondContact O-N 3.23Å
464E78Confident76Confident163 Ų16374.7 Ų74.776%0.76237%0.367SS*.Hα-helixtrans-69-48.8176.7-69.5170.7-174.800112.4S462 F466 L467 E468S462-E464 PolarHBondContact O-N 2.86Å; E464-F466 VanDerWaalsContact C-N 3.34Å; E464-F466 PolarHBondContact O-N 3.02Å; E464-L467 PolarHBondContact O-N 3.01Å; E464-E468 WeakPolarHBondContact O-CB 3.4Å; E464-E468 PolarHBondContact O-N 3.35Å
465E77.9Confident74Confident104 Ų10476.7 Ų76.749%0.48637%0.373SS..Hα-helixtrans-63.5-39.6176.6-72.1162.914300111.9L461 S462 E468 L469L461-E465 HydrophobicContact CB-CB 4.08Å; L461-E465 HydrophobicContact CD2-CB 4.19Å; S462-E465 WeakPolarHBondContact CB-OE2 3.41Å; S462-E465 PolarHBondContact N-OE2 2.55Å; S462-E465 PolarHBondContact O-N 3.03Å; S462-E465 WeakPolarHBondContact OG-CB 3.4Å; S462-E465 VanDerWaalsContact OG-CD 3.28Å; S462-E465 VanDerWaalsContact OG-CG 3.25Å; S462-E465 WeakPolarHBondContact OG-CG 3.34Å; S462-E465 PolarHBondContact OG-N 2.92Å; S462-E465 PolarHBondContact OG-OE2 3.34Å; E465-E468 PolarHBondContact O-N 3Å; E465-L469 WeakPolarHBondContact O-CB 3.34Å; E465-L469 PolarHBondContact O-N 2.88Å
466F71.6Confident71.7Confident20 Ų2080.6 Ų80.69%0.08840%0.397CS..Hα-helixtrans-61.9-44.8175.4-177.1-91.4000110.9L290 A293 I295 L404 F457 L461 S462 E464 E468 I470L290-F466 HydrophobicContact CD2-CZ 3.83Å; A293-F466 HydrophobicContact CB-CD2 3.61Å; A293-F466 HydrophobicContact CB-CE2 3.31Å; A293-F466 HydrophobicContact CB-CZ 4.39Å; I295-F466 HydrophobicContact CD1-CE2 4.43Å; I295-F466 HydrophobicContact CG1-CE2 4.41Å; L404-F466 HydrophobicContact CD2-CD1 4.39Å; L404-F466 HydrophobicContact CD2-CE1 3.6Å; L404-F466 HydrophobicContact CD2-CZ 4.31Å; F457-F466 HydrophobicContact CD2-CZ 4.05Å; F457-F466 HydrophobicContact CE2-CZ 4.49Å; L461-F466 HydrophobicContact CB-CB 4.23Å; L461-F466 HydrophobicContact CD1-CD2 4.44Å; S462-F466 WeakPolarHBondContact O-CB 3.42Å; S462-F466 PolarHBondContact O-N 3.01Å; E464-F466 VanDerWaalsContact C-N 3.34Å; E464-F466 PolarHBondContact O-N 3.02Å; F466-E468 VanDerWaalsContact C-N 3.35Å; F466-I470 WeakPolarHBondContact O-CG1 3.38Å; F466-I470 PolarHBondContact O-N 3.34Å
467L71.2Confident69.5Low73 Ų7381 Ų8138%0.38239%0.394SS..Hα-helixtrans-65.9-37175.9-73170.9000112.1E463 E464 K471E463-L467 HydrophobicContact CG-CD1 4.25Å; E463-L467 WeakPolarHBondContact O-CB 3.42Å; E463-L467 WeakPolarHBondContact O-CD1 3.42Å; E463-L467 WeakPolarHBondContact O-CG 3.4Å; E463-L467 PolarHBondContact O-N 3.23Å; E464-L467 PolarHBondContact O-N 3.01Å; L467-K471 VanDerWaalsContact O-CG 3.31Å; L467-K471 WeakPolarHBondContact O-CG 3.38Å; L467-K471 PolarHBondContact O-N 2.87Å
468E75.9Confident67.4Low93 Ų9383.3 Ų83.344%0.43541%0.411SS..Hα-helixtrans-71.2-48.2-179-162.359.4-152.100112.6E464 E465 F466 I470 K471 E472E464-E468 WeakPolarHBondContact O-CB 3.4Å; E464-E468 PolarHBondContact O-N 3.35Å; E465-E468 PolarHBondContact O-N 3Å; F466-E468 VanDerWaalsContact C-N 3.35Å; E468-I470 PolarHBondContact O-N 3.11Å; E468-I470 VanDerWaalsContact O-N 3.09Å; E468-K471 PolarHBondContact O-N 2.83Å; E468-K471 IonicContact OE2-NZ 3.55Å; E468-E472 WeakPolarHBondContact O-CG 3.19Å; E468-E472 PolarHBondContact O-N 2.97Å
469L70.5Confident65.3Low45 Ų4585.4 Ų85.424%0.23642%0.424CS..Hα-helixtrans-50.2-40.2173.7-179.971.5000111Q292 A293 L461 E465 Q473Q292-L469 HydrophobicContact CB-CD2 4.42Å; A293-L469 HydrophobicContact CB-CD2 4.2Å; L461-L469 HydrophobicContact CD1-CD2 3.95Å; E465-L469 WeakPolarHBondContact O-CB 3.34Å; E465-L469 PolarHBondContact O-N 2.88Å; L469-Q473 WeakPolarHBondContact O-CG 3.48Å; L469-Q473 PolarHBondContact O-N 3.45Å
470I62.4Low63.5Low6 Ų687.9 Ų87.93%0.03144%0.435CS..Hα-helixtrans-77.1-41.5180-62.3-65.3000112.5G289 L404 F466 E468 E472 Q473 L474G289-I470 VanDerWaalsContact CA-CD1 3.46Å; G289-I470 WeakPolarHBondContact O-CD1 3.15Å; L404-I470 HydrophobicContact CB-CG2 4.11Å; L404-I470 HydrophobicContact CD1-CD1 4.17Å; L404-I470 HydrophobicContact CD1-CG1 4.31Å; L404-I470 HydrophobicContact CD1-CG2 3.61Å; L404-I470 HydrophobicContact CD2-CB 4.26Å; L404-I470 HydrophobicContact CD2-CG1 3.9Å; L404-I470 HydrophobicContact CD2-CG2 3.9Å; L404-I470 HydrophobicContact CG-CG2 4.05Å; F466-I470 WeakPolarHBondContact O-CG1 3.38Å; F466-I470 PolarHBondContact O-N 3.34Å; E468-I470 PolarHBondContact O-N 3.11Å; E468-I470 VanDerWaalsContact O-N 3.09Å; I470-E472 PolarHBondContact O-N 3.47Å; I470-Q473 WeakPolarHBondContact O-CB 3.47Å; I470-Q473 PolarHBondContact O-N 2.83Å; I470-Q473 VanDerWaalsContact O-N 3.1Å; I470-L474 HydrophobicContact CG2-CD1 4.13Å; I470-L474 PolarHBondContact O-N 3.3Å
471K68.2Low61.9Low122 Ų12283.9 Ų83.953%0.5341%0.412SS..Hα-helixtrans-56.9-42.2174.5-79.4173.7-168.6164.90110.3L467 E468 Q473 L474 Y475L467-K471 VanDerWaalsContact O-CG 3.31Å; L467-K471 WeakPolarHBondContact O-CG 3.38Å; L467-K471 PolarHBondContact O-N 2.87Å; E468-K471 PolarHBondContact O-N 2.83Å; E468-K471 IonicContact OE2-NZ 3.55Å; K471-Q473 VanDerWaalsContact C-N 3.34Å; K471-Q473 PolarHBondContact O-N 3.34Å; K471-L474 PolarHBondContact O-N 3.19Å; K471-Y475 WeakPolarHBondContact O-CB 3.47Å; K471-Y475 PolarHBondContact O-N 3.16Å
472E67.8Low60.3Low119 Ų11987.7 Ų87.756%0.55643%0.428SS*.Hα-helixtrans-57.8-44.7174.6-71.3-171.7160.500111.7E468 I470 L474 V476E468-E472 WeakPolarHBondContact O-CG 3.19Å; E468-E472 PolarHBondContact O-N 2.97Å; I470-E472 PolarHBondContact O-N 3.47Å; E472-L474 PolarHBondContact O-N 3.48Å; E472-V476 WeakPolarHBondContact O-CG2 3.46Å
473Q63.3Low58.3Low51 Ų5191.4 Ų91.424%0.23844%0.438CS..Hα-helixtrans-62.3-40.4177.2-67.1-59.9-40.200113L469 I470 K471L469-Q473 WeakPolarHBondContact O-CG 3.48Å; L469-Q473 PolarHBondContact O-N 3.45Å; I470-Q473 WeakPolarHBondContact O-CB 3.47Å; I470-Q473 PolarHBondContact O-N 2.83Å; I470-Q473 VanDerWaalsContact O-N 3.1Å; K471-Q473 VanDerWaalsContact C-N 3.34Å; K471-Q473 PolarHBondContact O-N 3.34Å
474L58.1Low56.5Low41 Ų4193.1 Ų93.122%0.21544%0.439CS..Hα-helixtrans-79.4-35-178.8-68.1174.8000113K285 M286 I470 K471 E472 V476 R477K285-L474 HydrophobicContact CB-CD2 4.49Å; M286-L474 HydrophobicContact CE-CD2 4.45Å; M286-L474 HydrophobicContact CG-CD2 4.02Å; I470-L474 HydrophobicContact CG2-CD1 4.13Å; I470-L474 PolarHBondContact O-N 3.3Å; K471-L474 PolarHBondContact O-N 3.19Å; E472-L474 PolarHBondContact O-N 3.48Å; L474-V476 PolarHBondContact O-N 2.8Å; L474-V476 VanDerWaalsContact O-N 3.16Å; L474-R477 PolarHBondContact O-N 2.93Å
475Y53.9Low54.6Low153 Ų15390.5 Ų90.560%0.643%0.427SS*.Hα-helixtrans-64.9-19.8-175.2-166.5-97.8000113.5K471 R477 T478 L479K471-Y475 WeakPolarHBondContact O-CB 3.47Å; K471-Y475 PolarHBondContact O-N 3.16Å; Y475-R477 PolarHBondContact O-N 3.03Å; Y475-T478 WeakPolarHBondContact CD2-OG1 3.42Å; Y475-T478 WeakPolarHBondContact CE2-OG1 3.35Å; Y475-T478 PolarHBondContact O-N 3.38Å; Y475-T478 PolarHBondContact O-OG1 3.43Å; Y475-L479 HydrophobicContact CE1-CD1 4.39Å
476V48Very low52.8Low91 Ų9189.7 Ų89.755%0.55243%0.429SS*.THydrogen-bonded Turntrans-56.7-4.7176.4178.60000113.5E472 L474E472-V476 WeakPolarHBondContact O-CG2 3.46Å; L474-V476 PolarHBondContact O-N 2.8Å; L474-V476 VanDerWaalsContact O-N 3.16Å
477R47.1Very low51Low70 Ų7093.8 Ų93.826%0.26445%0.452SS..THydrogen-bonded Turntrans-111.3-18.8175.2-134.6-171.9-170.7145.2-2.4117.9C279 E281 D282 L474 Y475 L479 N480 M481C279-R477 PolarHBondContact SG-NH1 2.92Å; E281-R477 IonicContact OE2-CZ 2.69Å; E281-R477 VanDerWaalsContact OE2-CZ 3.3Å; E281-R477 IonicContact OE2-NH1 3.55Å; E281-R477 PolarHBondContact OE2-NH1 3.18Å; E281-R477 IonicContact OE2-NH2 2.63Å; E281-R477 PolarHBondContact OE2-NH2 2.91Å; D282-R477 IonicContact OD1-NH1 3.51Å; D282-R477 PolarHBondContact OD1-NH1 2.93Å; L474-R477 PolarHBondContact O-N 2.93Å; Y475-R477 PolarHBondContact O-N 3.03Å; R477-L479 PolarHBondContact O-N 3.46Å; R477-L479 VanDerWaalsContact O-N 3.11Å; R477-N480 HydrophobicContact CG-CB 4.38Å; R477-N480 PolarHBondContact O-N 3.39Å; R477-M481 PolarHBondContact O-N 2.78Å
478T44.5Very low49.3Very low86 Ų8694 Ų9453%0.52846%0.459SS..Hα-helixtrans-57.8-31.5177.96.70000111Y475Y475-T478 WeakPolarHBondContact CD2-OG1 3.42Å; Y475-T478 WeakPolarHBondContact CE2-OG1 3.35Å; Y475-T478 PolarHBondContact O-N 3.38Å; Y475-T478 PolarHBondContact O-OG1 3.43Å
479L40.2Very low47.4Very low118 Ų11899.1 Ų99.162%0.61848%0.475SS*.Hα-helixtrans-73.9-20.2175.1-77.2153.9000115.5Y475 R477Y475-L479 HydrophobicContact CE1-CD1 4.39Å; R477-L479 PolarHBondContact O-N 3.46Å; R477-L479 VanDerWaalsContact O-N 3.11Å
480N39.2Very low45.8Very low87 Ų87100.7 Ų100.747%0.46549%0.489SS..Hα-helixtrans-96.8-18.8-176.4-95.7-29.5000114.1R477 K483R477-N480 HydrophobicContact CG-CB 4.38Å; R477-N480 PolarHBondContact O-N 3.39Å; N480-K483 VanDerWaalsContact O-CB 3.3Å; N480-K483 WeakPolarHBondContact O-CB 3.29Å; N480-K483 PolarHBondContact O-N 3.24Å
481M39.5Very low44.6Very low73 Ų73106.2 Ų106.236%0.3652%0.523SS..Hα-helixtrans-74.1-32.5174.2-75.1-64.5-66.400112.4R477 K483 Y484 E485R477-M481 PolarHBondContact O-N 2.78Å; M481-K483 PolarHBondContact O-N 2.9Å; M481-K483 VanDerWaalsContact O-N 3.15Å; M481-Y484 PolarHBondContact O-N 3.3Å; M481-Y484 VanDerWaalsContact O-N 3.09Å; M481-E485 PolarHBondContact O-N 2.87Å
482E42Very low42.8Very low135 Ų135107.4 Ų107.463%0.63153%0.534SS*.Hα-helixtrans-56.6-29.9170.1-73.2-171.2162.600111.6E485 T486E482-E485 PolarHBondContact O-N 3.37Å; E482-T486 PolarHBondContact O-N 3.2Å; E482-T486 PolarHBondContact O-OG1 2.76Å
483K34.8Very low41.2Very low133 Ų133114.2 Ų114.258%0.57856%0.561SS**Hα-helixtrans-69.2-35.9178-134176.6-173.4177.20113.2N480 M481 T486 L487N480-K483 VanDerWaalsContact O-CB 3.3Å; N480-K483 WeakPolarHBondContact O-CB 3.29Å; N480-K483 PolarHBondContact O-N 3.24Å; M481-K483 PolarHBondContact O-N 2.9Å; M481-K483 VanDerWaalsContact O-N 3.15Å; K483-T486 WeakPolarHBondContact CA-OG1 3.22Å; K483-T486 PolarHBondContact O-OG1 3.2Å; K483-L487 WeakPolarHBondContact O-CB 3.47Å; K483-L487 WeakPolarHBondContact O-CD1 3.24Å; K483-L487 WeakPolarHBondContact O-CG 3.44Å; K483-L487 PolarHBondContact O-N 2.86Å
484Y31.5Very low40.1Very low172 Ų172117.4 Ų117.468%0.67558%0.577SS**Hα-helixtrans-75.3-33.1175-86.8-81.9000112.4M481 S488M481-Y484 PolarHBondContact O-N 3.3Å; M481-Y484 VanDerWaalsContact O-N 3.09Å; Y484-S488 PolarHBondContact O-N 2.95Å
485E39.6Very low39.1Very low108 Ų108121.4 Ų121.451%0.50560%0.597SS.*Hα-helixtrans-72.6-36.5173.5-67.2-158.2157.400112.5K275 M481 E482 S488 R489K275-E485 IonicContact NZ-OE1 2.99Å; M481-E485 PolarHBondContact O-N 2.87Å; E482-E485 PolarHBondContact O-N 3.37Å; E485-S488 PolarHBondContact O-N 2.93Å; E485-S488 PolarHBondContact O-OG 2.97Å; E485-R489 PolarHBondContact O-N 3.1Å
486T38.9Very low38.3Very low87 Ų87119.6 Ų119.653%0.53460%0.596SS.*Hα-helixtrans-70.4-32.917434.40000113.5E482 K483 S488 R489 S490E482-T486 PolarHBondContact O-N 3.2Å; E482-T486 PolarHBondContact O-OG1 2.76Å; K483-T486 WeakPolarHBondContact CA-OG1 3.22Å; K483-T486 PolarHBondContact O-OG1 3.2Å; T486-S488 VanDerWaalsContact C-N 3.31Å; T486-S488 PolarHBondContact O-N 3.4Å; T486-R489 PolarHBondContact O-N 2.92Å; T486-S490 PolarHBondContact O-N 2.84Å; T486-S490 PolarHBondContact O-OG 2.75Å
487L35.3Very low37.7Very low107 Ų107121.3 Ų121.356%0.5660%0.599SS**Hα-helixtrans-66.6-33171.7-77.9164.7000112K483 R489 S490K483-L487 WeakPolarHBondContact O-CB 3.47Å; K483-L487 WeakPolarHBondContact O-CD1 3.24Å; K483-L487 WeakPolarHBondContact O-CG 3.44Å; K483-L487 PolarHBondContact O-N 2.86Å; L487-R489 VanDerWaalsContact C-N 3.3Å; L487-R489 PolarHBondContact O-N 2.76Å; L487-S490 WeakPolarHBondContact CA-OG 3.28Å; L487-S490 PolarHBondContact O-OG 2.78Å
488S34.4Very low37.1Very low76 Ų76124.5 Ų124.553%0.53162%0.62SS.*Hα-helixtrans-70.2-24.3174.976.60000114.1Y484 E485 T486Y484-S488 PolarHBondContact O-N 2.95Å; E485-S488 PolarHBondContact O-N 2.93Å; E485-S488 PolarHBondContact O-OG 2.97Å; T486-S488 VanDerWaalsContact C-N 3.31Å; T486-S488 PolarHBondContact O-N 3.4Å
489R36.1Very low36.7Very low202 Ų202127.1 Ų127.176%0.76263%0.626SS**Hα-helixtrans-90.5-17.2180-74.1-173.9178-179.51.9113.9E485 T486 L487 V491E485-R489 PolarHBondContact O-N 3.1Å; T486-R489 PolarHBondContact O-N 2.92Å; L487-R489 VanDerWaalsContact C-N 3.3Å; L487-R489 PolarHBondContact O-N 2.76Å; R489-V491 VanDerWaalsContact C-N 3.32Å; R489-V491 PolarHBondContact O-N 2.91Å
490S38.1Very low36.4Very low78 Ų78127.7 Ų127.755%0.54563%0.627SS.*THydrogen-bonded Turntrans-85-1-178.138.30000114.4T486 L487T486-S490 PolarHBondContact O-N 2.84Å; T486-S490 PolarHBondContact O-OG 2.75Å; L487-S490 WeakPolarHBondContact CA-OG 3.28Å; L487-S490 PolarHBondContact O-OG 2.78Å
491V36.1Very low36.2Very low121 Ų121130.8 Ų130.873%0.73364%0.639SS**THydrogen-bonded Turntrans-103.16.5177.5-169.60000112.6R489R489-V491 VanDerWaalsContact C-N 3.32Å; R489-V491 PolarHBondContact O-N 2.91Å
492I30.4Very low35.9Very low147 Ų147135.7 Ų135.775%0.75466%0.662SS**  trans-113.237.6177.3-42.7178.7000111.6
493K33.9Very low35.4Very low262 Ų262135.7 Ų135.7100%1.13967%0.665SS**  trans-128.40158.2-87.3-171.5175.5-177.70107.5

Retrieved 493 of 493 residues in 216.3 ms (Link to these results)

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