A0A3Q0KKB4_SCHMA Loading...

Testis specific leucine rich repeat protein,putative

AlphaFold DB (A0A5K4EKE7), UniProt , Accession A0A3Q0KKB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 425 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
1M56.3Low73.7Confident153 Ų15373 Ų7375%0.75436%0.364SS*.  0114.30-71.6172.3178.400109.8E34M1-E34 WeakPolarHBondContact CE-OE2 3.35Å; M1-E34 VanDerWaalsContact CG-OE1 3.3Å; M1-E34 WeakPolarHBondContact CG-OE1 3.47Å
2V67.4Low73.8Confident51 Ų5175.8 Ų75.831%0.30937%0.367SS..BIsolated β-bridgetrans-97.5112.2169.3-178.60000106Q31 L33V2-Q31 WeakPolarHBondContact CB-O 3.45Å; V2-L33 HydrophobicContact CG1-CD2 4.26Å
3L74.2Confident73.5Confident97 Ų9770.4 Ų70.451%0.50834%0.342SS..  trans-87.4153174.4-69.1166.9000109.2T5L3-T5 VanDerWaalsContact C-N 3.34Å; L3-T5 PolarHBondContact O-N 3.04Å
4I73.5Confident72.5Confident3 Ų374.4 Ų74.42%0.01536%0.36CS..  trans-72.395.2170.9-53.2-177.1000107.2I9 L28 L33 I39I4-I9 HydrophobicContact CG2-CD1 3.85Å; I4-I9 HydrophobicContact CG2-CG1 3.98Å; I4-L28 HydrophobicContact CD1-CD1 4.48Å; I4-L28 HydrophobicContact CG2-CD1 4.48Å; I4-L33 HydrophobicContact CD1-CD1 3.89Å; I4-L33 HydrophobicContact CD1-CD2 4.49Å; I4-L33 HydrophobicContact CG1-CD1 3.86Å; I4-L33 HydrophobicContact CG1-CD2 3.61Å; I4-L33 HydrophobicContact CG1-CG 4.26Å; I4-I39 HydrophobicContact CD1-CD1 3.48Å; I4-I39 VanDerWaalsContact CD1-CD1 3.48Å; I4-I39 HydrophobicContact CD1-CG1 4.03Å; I4-I39 HydrophobicContact CG2-CG1 4.12Å
5T74.3Confident71.6Confident67 Ų6781.5 Ų81.541%0.41139%0.391SS..  trans-88.2157.1174.7590000110.6L3 D7 L8 I9L3-T5 VanDerWaalsContact C-N 3.34Å; L3-T5 PolarHBondContact O-N 3.04Å; T5-D7 PolarHBondContact O-N 3.34Å; T5-L8 WeakPolarHBondContact O-CB 3.41Å; T5-L8 PolarHBondContact O-N 3.38Å; T5-L8 VanDerWaalsContact O-N 3.11Å; T5-L8 WeakPolarHBondContact OG1-CB 3.22Å; T5-L8 PolarHBondContact OG1-N 3.18Å; T5-I9 PolarHBondContact O-N 3.23Å
6E75.3Confident71Confident77 Ų7779.8 Ų79.836%0.3639%0.385SS..Hα-helixtrans-57.3-41.4173.1-169.2-177149.200110.5L8 I9 R10 I20 W42E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 3.31Å; E6-I9 PolarHBondContact O-N 3.45Å; E6-R10 WeakPolarHBondContact O-CB 3.27Å; E6-R10 PolarHBondContact O-N 3.29Å; E6-R10 IonicContact OE1-CZ 3.58Å; E6-R10 IonicContact OE1-NH2 3.72Å; E6-R10 PolarHBondContact OE1-NH2 3.4Å; E6-I20 HydrophobicContact CG-CD1 4.01Å; E6-W42 HydrophobicContact CB-CH2 3.76Å; E6-W42 HydrophobicContact CB-CZ2 3.77Å; E6-W42 HydrophobicContact CB-CZ3 4.35Å; E6-W42 HydrophobicContact CG-CZ2 4.31Å
7D76.9Confident70.6Confident118 Ų11883.4 Ų83.463%0.63141%0.407SS*.Hα-helixtrans-59.7-37.1176.6-61.4-30.7000112.7T5 R10 K11T5-D7 PolarHBondContact O-N 3.34Å; D7-R10 PolarHBondContact O-N 3.25Å; D7-K11 WeakPolarHBondContact O-CB 3.48Å; D7-K11 PolarHBondContact O-N 3.19Å
8L79.5Confident70.2Confident24 Ų2484.8 Ų84.813%0.12641%0.412CS..Hα-helixtrans-65.5-43.6178-177.666.1000110.8T5 E6 R12 L28 L33T5-L8 WeakPolarHBondContact O-CB 3.41Å; T5-L8 PolarHBondContact O-N 3.38Å; T5-L8 VanDerWaalsContact O-N 3.11Å; T5-L8 WeakPolarHBondContact OG1-CB 3.22Å; T5-L8 PolarHBondContact OG1-N 3.18Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 3.31Å; L8-R12 WeakPolarHBondContact O-CG 3.41Å; L8-R12 PolarHBondContact O-N 3.1Å; L8-L28 HydrophobicContact CD2-CD2 4.14Å; L8-L28 HydrophobicContact CG-CD2 4.17Å; L8-L33 HydrophobicContact CD2-CD2 4.37Å
9I79.3Confident70.1Confident2 Ų286.4 Ų86.41%0.0142%0.419CS..Hα-helixtrans-67.6-45.5176.6-60.2-175.7000109.9I4 T5 E6 K11 R12 A13 I20 L23 I39 W42I4-I9 HydrophobicContact CG2-CD1 3.85Å; I4-I9 HydrophobicContact CG2-CG1 3.98Å; T5-I9 PolarHBondContact O-N 3.23Å; E6-I9 PolarHBondContact O-N 3.45Å; I9-K11 PolarHBondContact O-N 2.85Å; I9-R12 CarbonylContact O-C 3.47Å; I9-R12 PolarHBondContact O-N 3.43Å; I9-A13 VanDerWaalsContact O-CB 3.23Å; I9-A13 WeakPolarHBondContact O-CB 3.38Å; I9-A13 PolarHBondContact O-N 2.97Å; I9-I20 HydrophobicContact CG2-CG2 4.08Å; I9-L23 HydrophobicContact CG2-CD1 3.85Å; I9-I39 HydrophobicContact CD1-CG1 4.34Å; I9-W42 HydrophobicContact CD1-CE3 3.46Å; I9-W42 VanDerWaalsContact CD1-CE3 3.46Å; I9-W42 HydrophobicContact CD1-CZ3 3.78Å
10R76Confident70.3Confident71 Ų7182.2 Ų82.227%0.26840%0.399SS..Hα-helixtrans-58-45.3179-169.4-180-64.8-79.9-8.2111.9E6 D7 R12 A13 E14 E18E6-R10 WeakPolarHBondContact O-CB 3.27Å; E6-R10 PolarHBondContact O-N 3.29Å; E6-R10 IonicContact OE1-CZ 3.58Å; E6-R10 IonicContact OE1-NH2 3.72Å; E6-R10 PolarHBondContact OE1-NH2 3.4Å; D7-R10 PolarHBondContact O-N 3.25Å; R10-R12 PolarHBondContact O-N 3.47Å; R10-A13 CarbonylContact O-C 3.54Å; R10-A13 WeakPolarHBondContact O-CA 3.34Å; R10-A13 PolarHBondContact O-N 3.3Å; R10-E14 PolarHBondContact O-N 2.84Å; R10-E18 HydrophobicContact CG-CB 4.01Å; R10-E18 HydrophobicContact CG-CG 4.25Å; R10-E18 PolarHBondContact NH1-O 2.87Å; R10-E18 VanDerWaalsContact NH1-O 3.07Å; R10-E18 IonicContact NH1-OE2 3.47Å; R10-E18 PolarHBondContact NH1-OE2 2.76Å
11K77.4Confident70.4Confident140 Ų14086.1 Ų86.161%0.60941%0.41SS*.Hα-helixtrans-61.9-29.1175.9-171.7174.2-175.91740113.2D7 I9 E14D7-K11 WeakPolarHBondContact O-CB 3.48Å; D7-K11 PolarHBondContact O-N 3.19Å; I9-K11 PolarHBondContact O-N 2.85Å; K11-E14 VanDerWaalsContact O-CD 3.23Å; K11-E14 VanDerWaalsContact O-CG 3.27Å; K11-E14 WeakPolarHBondContact O-CG 3.37Å
12R75Confident71.5Confident107 Ų10781 Ų8140%0.40439%0.39SS..Hα-helixtrans-87.5-23.5174.9-64.6-62.5-175.3147.91.6112.4L8 I9 R10 E14L8-R12 WeakPolarHBondContact O-CG 3.41Å; L8-R12 PolarHBondContact O-N 3.1Å; I9-R12 CarbonylContact O-C 3.47Å; I9-R12 PolarHBondContact O-N 3.43Å; R10-R12 PolarHBondContact O-N 3.47Å; R12-E14 VanDerWaalsContact C-N 3.3Å
13A69.7Low72.2Confident5 Ų579 Ų794%0.04138%0.378CS..  trans-85.510.3175.100000113.8I9 R10 H15 N16 L23I9-A13 VanDerWaalsContact O-CB 3.23Å; I9-A13 WeakPolarHBondContact O-CB 3.38Å; I9-A13 PolarHBondContact O-N 2.97Å; R10-A13 CarbonylContact O-C 3.54Å; R10-A13 WeakPolarHBondContact O-CA 3.34Å; R10-A13 PolarHBondContact O-N 3.3Å; A13-H15 PolarHBondContact O-N 3.11Å; A13-N16 PolarHBondContact O-N 3.4Å; A13-L23 HydrophobicContact CB-CD1 3.71Å; A13-L23 HydrophobicContact CB-CD2 3.84Å; A13-L23 HydrophobicContact CB-CG 4.3Å
14E59.9Low72.8Confident126 Ų12679.1 Ų79.159%0.58938%0.375SS*.G310 helixtrans-51.7-26.1-179.5-76.6173.9-174.400113.1R10 K11 R12 N16R10-E14 PolarHBondContact O-N 2.84Å; K11-E14 VanDerWaalsContact O-CD 3.23Å; K11-E14 VanDerWaalsContact O-CG 3.27Å; K11-E14 WeakPolarHBondContact O-CG 3.37Å; R12-E14 VanDerWaalsContact C-N 3.3Å; E14-N16 VanDerWaalsContact C-N 3.34Å
15H59.9Low73.4Confident181 Ų18184.1 Ų84.184%0.83840%0.399SS*.G310 helixtrans-79.6-10.1176.6-58.392.3000114.7A13A13-H15 PolarHBondContact O-N 3.11Å
16N61Low74.1Confident55 Ų5581.2 Ų81.229%0.29438%0.381SS..G310 helixtrans-114.638.1-177.1-162.546.4000112.3A13 E14 E18 E19 S22 L23A13-N16 PolarHBondContact O-N 3.4Å; E14-N16 VanDerWaalsContact C-N 3.34Å; N16-E18 PolarHBondContact O-N 3.08Å; N16-E19 PolarHBondContact ND2-O 3.13Å; N16-E19 PolarHBondContact O-N 3.06Å; N16-S22 PolarHBondContact ND2-OG 3.41Å; N16-L23 HydrophobicContact CB-CD2 3.73Å
17N63.9Low74.7Confident140 Ų14079.1 Ų79.175%0.74938%0.377SS*.THydrogen-bonded Turntrans52.329.7178.9-58.7-34.2000114.2E19N17-E19 PolarHBondContact O-N 2.78Å; N17-E19 VanDerWaalsContact O-N 3.1Å
18E63.7Low75.2Confident109 Ų10973.5 Ų73.551%0.50935%0.347SS..THydrogen-bonded Turntrans60.411.4-175.2-48-175.7179.400115.8R10 N16 I20R10-E18 HydrophobicContact CG-CB 4.01Å; R10-E18 HydrophobicContact CG-CG 4.25Å; R10-E18 PolarHBondContact NH1-O 2.87Å; R10-E18 VanDerWaalsContact NH1-O 3.07Å; R10-E18 IonicContact NH1-OE2 3.47Å; R10-E18 PolarHBondContact NH1-OE2 2.76Å; N16-E18 PolarHBondContact O-N 3.08Å; E18-I20 PolarHBondContact O-N 2.7Å
19E68.6Low75.6Confident115 Ų11575.1 Ų75.154%0.53735%0.354SS..  trans-81.1103.6174.3-68.1-171.6175.500109.8N16 N17 S22N16-E19 PolarHBondContact ND2-O 3.13Å; N16-E19 PolarHBondContact O-N 3.06Å; N17-E19 PolarHBondContact O-N 2.78Å; N17-E19 VanDerWaalsContact O-N 3.1Å; E19-S22 PolarHBondContact OE2-OG 3.28Å
20I73.5Confident75.9Confident3 Ų380.6 Ų80.62%0.01538%0.379CS..SBendtrans-75.3-24.2179.961.6-178000113.2E6 I9 E18 L23 W42E6-I20 HydrophobicContact CG-CD1 4.01Å; I9-I20 HydrophobicContact CG2-CG2 4.08Å; E18-I20 PolarHBondContact O-N 2.7Å; I20-L23 HydrophobicContact CB-CD1 4.24Å; I20-L23 HydrophobicContact CG2-CD1 4.39Å; I20-W42 HydrophobicContact CD1-CB 3.97Å; I20-W42 HydrophobicContact CD1-CG 3.97Å; I20-W42 HydrophobicContact CG1-CB 4.41Å
21Y74.1Confident76.3Confident164 Ų16478.8 Ų78.864%0.64337%0.374SS*.THydrogen-bonded Turntrans-75-28.4-174.1-61.1-73.7000114.1W42 S45Y21-W42 WeakPolarHBondContact CA-O 3.46Å; Y21-W42 WeakPolarHBondContact CD1-O 3.37Å; Y21-S45 PolarHBondContact O-OG 3.43Å
22S77.9Confident76.6Confident45 Ų4574.4 Ų74.432%0.31536%0.357SS..THydrogen-bonded Turntrans-940.7-178.855.10000112.9N16 E19 E24N16-S22 PolarHBondContact ND2-OG 3.41Å; E19-S22 PolarHBondContact OE2-OG 3.28Å; S22-E24 PolarHBondContact O-N 2.99Å
23L81.9Confident77.1Confident11 Ų1169.3 Ų69.36%0.05834%0.338CS..  trans-61.2127.5-179.1-72169.9000111I9 A13 N16 I20 V26 S45 L46I9-L23 HydrophobicContact CG2-CD1 3.85Å; A13-L23 HydrophobicContact CB-CD1 3.71Å; A13-L23 HydrophobicContact CB-CD2 3.84Å; A13-L23 HydrophobicContact CB-CG 4.3Å; N16-L23 HydrophobicContact CB-CD2 3.73Å; I20-L23 HydrophobicContact CB-CD1 4.24Å; I20-L23 HydrophobicContact CG2-CD1 4.39Å; L23-V26 HydrophobicContact CB-CG2 4.22Å; L23-V26 HydrophobicContact CD1-CG2 3.94Å; L23-S45 CarbonylContact O-C 3.58Å; L23-S45 PolarHBondContact O-OG 2.69Å; L23-L46 WeakPolarHBondContact O-CA 3.43Å; L23-L46 PolarHBondContact O-N 3.45Å
24E86.7Confident77.9Confident99 Ų9970.8 Ų70.846%0.46334%0.344SS..SBendtrans-100.2-25.4172.3-58.1-162.2151.600111.6S22 K47 I48S22-E24 PolarHBondContact O-N 2.99Å; E24-K47 HydrophobicContact CB-CD 4.34Å; E24-K47 HydrophobicContact CB-CG 4.38Å; E24-K47 WeakPolarHBondContact O-CA 3.4Å; E24-K47 PolarHBondContact O-N 3.32Å; E24-K47 WeakPolarHBondContact OE1-CE 3.42Å; E24-K47 IonicContact OE1-NZ 2.69Å; E24-K47 PolarHBondContact OE1-NZ 3.03Å; E24-K47 WeakPolarHBondContact OE2-CE 3.46Å; E24-K47 IonicContact OE2-NZ 3.28Å; E24-K47 PolarHBondContact OE2-NZ 3.23Å; E24-I48 PolarHBondContact O-N 2.95Å
25E87.8Confident79.1Confident108 Ų10870.3 Ų70.351%0.50534%0.337SS..EExtended strand (participates in β ladder)trans-132.6131.5-178-179.1176.2163.500110.5I48 Y50E25-I48 WeakPolarHBondContact CA-O 3.44Å; E25-I48 HydrophobicContact CB-CB 4.32Å; E25-I48 HydrophobicContact CG-CB 4.11Å; E25-I48 HydrophobicContact CG-CG2 4.25Å; E25-Y50 HydrophobicContact CG-CD2 4.37Å; E25-Y50 HydrophobicContact CG-CE2 4.1Å; E25-Y50 WeakPolarHBondContact OE1-CE2 3.19Å
26V88.1Confident80.1Confident6 Ų661.7 Ų61.74%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-131.8122.1177.61660000110L23 L28 L46 I48 L49 Y50L23-V26 HydrophobicContact CB-CG2 4.22Å; L23-V26 HydrophobicContact CD1-CG2 3.94Å; V26-L28 HydrophobicContact CG1-CD1 3.65Å; V26-L28 HydrophobicContact CG1-CD2 4.39Å; V26-L28 HydrophobicContact CG1-CG 3.57Å; V26-L46 HydrophobicContact CB-CD1 3.79Å; V26-L46 HydrophobicContact CB-CD2 4.46Å; V26-L46 HydrophobicContact CG2-CD1 3.44Å; V26-L46 VanDerWaalsContact CG2-CD1 3.44Å; V26-I48 PolarHBondContact N-O 3.45Å; V26-L49 HydrophobicContact CB-CD1 4.2Å; V26-L49 HydrophobicContact CG1-CD1 4.03Å; V26-Y50 PolarHBondContact O-N 2.92Å
27A88.6Confident81.1Confident33 Ų3361.3 Ų61.327%0.27329%0.293SS..EExtended strand (participates in β ladder)trans-103.5104.217700000112.1
28L87.2Confident81.8Confident0 Ų058.1 Ų58.10%028%0.275CS..  trans-121.136.7-179.5-67.7173.6000111.6I4 L8 V26 L33 I39 Y50 L51 N54I4-L28 HydrophobicContact CD1-CD1 4.48Å; I4-L28 HydrophobicContact CG2-CD1 4.48Å; L8-L28 HydrophobicContact CD2-CD2 4.14Å; L8-L28 HydrophobicContact CG-CD2 4.17Å; V26-L28 HydrophobicContact CG1-CD1 3.65Å; V26-L28 HydrophobicContact CG1-CD2 4.39Å; V26-L28 HydrophobicContact CG1-CG 3.57Å; L28-L33 HydrophobicContact CB-CD1 4.1Å; L28-L33 HydrophobicContact CD1-CD1 4.46Å; L28-I39 HydrophobicContact CD1-CD1 4.02Å; L28-Y50 CarbonylContact C-O 3.45Å; L28-Y50 WeakPolarHBondContact CA-O 3.47Å; L28-Y50 PolarHBondContact N-O 3.1Å; L28-L51 HydrophobicContact CB-CD2 3.75Å; L28-L51 HydrophobicContact CD1-CD2 4.12Å; L28-N54 PolarHBondContact O-ND2 3.41Å
29H87.2Confident82.5Confident58 Ų5853 Ų5327%0.26925%0.251SS..THydrogen-bonded Turntrans-71.9148.8176.165.282.2000112.1Q31 Q52H29-Q31 WeakPolarHBondContact O-CG 3.33Å; H29-Q31 PolarHBondContact O-N 3.07Å; H29-Q31 PolarHBondContact O-NE2 2.99Å; H29-Q52 VanDerWaalsContact CA-O 3.22Å; H29-Q52 WeakPolarHBondContact CA-O 3.44Å; H29-Q52 HydrophobicContact CB-CG 3.76Å; H29-Q52 WeakPolarHBondContact CB-O 3.22Å
30Q85.7Confident82.8Confident116 Ų11648.5 Ų48.554%0.54223%0.23SC..THydrogen-bonded Turntrans56.433.8171.8-56.7176.3-3700114.1Q52 N53Q30-Q52 PolarHBondContact N-O 3.2Å; Q30-Q52 VanDerWaalsContact N-O 3.11Å; Q30-N53 WeakPolarHBondContact CA-O 3.4Å; Q30-N53 HydrophobicContact CG-CB 4.04Å; Q30-N53 PolarHBondContact N-O 3.09Å
31Q84.4Confident83.1Confident34 Ų3451.8 Ų51.816%0.15925%0.248CC..SBendtrans-99-0.6-179.6-64.4-45.1-66.400112.9V2 H29 L33 N54V2-Q31 WeakPolarHBondContact CB-O 3.45Å; H29-Q31 WeakPolarHBondContact O-CG 3.33Å; H29-Q31 PolarHBondContact O-N 3.07Å; H29-Q31 PolarHBondContact O-NE2 2.99Å; Q31-L33 HydrophobicContact CB-CD1 4.12Å; Q31-L33 HydrophobicContact CB-CD2 4.04Å; Q31-L33 HydrophobicContact CB-CG 3.73Å; Q31-L33 PolarHBondContact O-N 3.4Å; Q31-N54 WeakPolarHBondContact CA-OD1 3.48Å; Q31-N54 PolarHBondContact N-OD1 2.94Å
32N83.8Confident83.2Confident48 Ų4845.7 Ų45.726%0.25722%0.224SC..  trans56.437.8-177.4-44.6-64.4000111.9E34 N54 L55 H227N32-E34 PolarHBondContact O-N 3Å; N32-N54 PolarHBondContact N-OD1 3.01Å; N32-L55 HydrophobicContact CB-CD1 4.38Å; N32-H227 WeakPolarHBondContact CB-NE2 3.21Å; N32-H227 PolarHBondContact ND2-CE1 2.97Å; N32-H227 PolarHBondContact ND2-NE2 3.21Å; N32-H227 PolarHBondContact OD1-CE1 3.03Å; N32-H227 PolarHBondContact OD1-ND1 2.99Å; N32-H227 PolarHBondContact OD1-NE2 2.87Å
33L85.8Confident83.4Confident0 Ų043.6 Ų43.60%021%0.209CC..BIsolated β-bridgetrans-70125.9178-59.2173.3000108.7V2 I4 L8 L28 Q31 L51 N54 L55 I56V2-L33 HydrophobicContact CG1-CD2 4.26Å; I4-L33 HydrophobicContact CD1-CD1 3.89Å; I4-L33 HydrophobicContact CD1-CD2 4.49Å; I4-L33 HydrophobicContact CG1-CD1 3.86Å; I4-L33 HydrophobicContact CG1-CD2 3.61Å; I4-L33 HydrophobicContact CG1-CG 4.26Å; L8-L33 HydrophobicContact CD2-CD2 4.37Å; L28-L33 HydrophobicContact CB-CD1 4.1Å; L28-L33 HydrophobicContact CD1-CD1 4.46Å; Q31-L33 HydrophobicContact CB-CD1 4.12Å; Q31-L33 HydrophobicContact CB-CD2 4.04Å; Q31-L33 HydrophobicContact CB-CG 3.73Å; Q31-L33 PolarHBondContact O-N 3.4Å; L33-L51 HydrophobicContact CD1-CD2 3.81Å; L33-N54 HydrophobicContact CB-CB 4.12Å; L33-N54 PolarHBondContact N-OD1 3.49Å; L33-L55 CarbonylContact O-C 3.56Å; L33-L55 VanDerWaalsContact O-C 3.23Å; L33-L55 WeakPolarHBondContact O-CA 3.28Å; L33-L55 PolarHBondContact O-N 2.91Å; L33-I56 HydrophobicContact CB-CG1 4.29Å; L33-I56 WeakPolarHBondContact O-CG1 3.21Å; L33-I56 PolarHBondContact O-N 2.96Å
34E86.2Confident83.4Confident36 Ų3649.9 Ų49.917%0.16824%0.236CC..SBendtrans-93.6-18.2174.2-68.4169.4-134.600111.3M1 N32 L55 P57M1-E34 WeakPolarHBondContact CE-OE2 3.35Å; M1-E34 VanDerWaalsContact CG-OE1 3.3Å; M1-E34 WeakPolarHBondContact CG-OE1 3.47Å; N32-E34 PolarHBondContact O-N 3Å; E34-L55 HydrophobicContact CG-CB 4.19Å; E34-P57 WeakPolarHBondContact O-CD 3.34Å
35R84.8Confident83.2Confident116 Ų11646.2 Ų46.244%0.43822%0.221SC..SBendtrans-145.6146.7-179.3-59.8-174.772.2-169.66.7110.9E37 E60R35-E37 HydrophobicContact CB-CG 3.98Å; R35-E37 WeakPolarHBondContact CD-OE1 3.24Å; R35-E37 IonicContact CZ-OE1 2.85Å; R35-E37 IonicContact NE-OE1 2.77Å; R35-E37 PolarHBondContact NE-OE1 3.3Å; R35-E37 IonicContact NH1-OE1 2.85Å; R35-E37 PolarHBondContact NH1-OE1 3.46Å; R35-E37 IonicContact NH2-OE1 3.54Å; R35-E60 IonicContact CZ-OE1 3.69Å; R35-E60 IonicContact NE-OE1 2.67Å; R35-E60 PolarHBondContact NE-OE1 3.35Å; R35-E60 IonicContact NH2-OE1 3.94Å; R35-E60 PolarHBondContact NH2-OE1 2.71Å; R35-E60 VanDerWaalsContact NH2-OE1 3.11Å; R35-E60 IonicContact NH2-OE2 3.81Å; R35-E60 PolarHBondContact NH2-OE2 2.94Å
36I82.4Confident83.3Confident0 Ų041.1 Ų41.10%020%0.197CC..  trans-89.2105.6169.4-57.8175.6000105.8I39 L51 I56 E60 N61 L62 L73I36-I39 HydrophobicContact CG2-CD1 3.85Å; I36-L51 HydrophobicContact CD1-CD1 3.76Å; I36-L51 HydrophobicContact CG1-CD1 4.05Å; I36-I56 HydrophobicContact CD1-CD1 4.19Å; I36-I56 HydrophobicContact CD1-CG2 4.15Å; I36-I56 HydrophobicContact CG1-CD1 3.75Å; I36-I56 HydrophobicContact CG1-CG1 4.32Å; I36-I56 HydrophobicContact CG1-CG2 4Å; I36-E60 WeakPolarHBondContact CB-O 3.42Å; I36-E60 WeakPolarHBondContact CG2-O 3.38Å; I36-N61 WeakPolarHBondContact O-CB 3.42Å; I36-N61 PolarHBondContact O-ND2 2.89Å; I36-L62 HydrophobicContact CD1-CD1 4.32Å; I36-L62 HydrophobicContact CD1-CD2 4.46Å; I36-L62 HydrophobicContact CD1-CG 4.47Å; I36-L62 HydrophobicContact CG2-CD2 3.83Å; I36-L62 HydrophobicContact CG2-CG 4.46Å; I36-L73 HydrophobicContact CD1-CD2 4.27Å
37E81.7Confident83.5Confident46 Ų4643.9 Ų43.922%0.21521%0.209CC..  trans-128150.8178.6-66.5-176.8176.600110.1R35 I39R35-E37 HydrophobicContact CB-CG 3.98Å; R35-E37 WeakPolarHBondContact CD-OE1 3.24Å; R35-E37 IonicContact CZ-OE1 2.85Å; R35-E37 IonicContact NE-OE1 2.77Å; R35-E37 PolarHBondContact NE-OE1 3.3Å; R35-E37 IonicContact NH1-OE1 2.85Å; R35-E37 PolarHBondContact NH1-OE1 3.46Å; R35-E37 IonicContact NH2-OE1 3.54Å; E37-I39 PolarHBondContact O-N 3.36Å
38L77Confident83.8Confident73 Ų7344.6 Ų44.638%0.38221%0.208SC..SBendtrans64.1-15.7169.1-57.4168.6000117.9E40 N41 W42L38-E40 PolarHBondContact O-N 3.31Å; L38-N41 PolarHBondContact O-N 3.25Å; L38-W42 HydrophobicContact CB-CD2 4.3Å; L38-W42 HydrophobicContact CB-CE3 3.87Å; L38-W42 HydrophobicContact CB-CH2 3.62Å; L38-W42 HydrophobicContact CB-CZ2 4Å; L38-W42 HydrophobicContact CB-CZ3 3.55Å; L38-W42 HydrophobicContact CD1-CH2 3.55Å; L38-W42 HydrophobicContact CD1-CZ2 3.95Å; L38-W42 HydrophobicContact CD1-CZ3 4.25Å; L38-W42 HydrophobicContact CG-CH2 4.18Å; L38-W42 HydrophobicContact CG-CZ2 4.45Å; L38-W42 PolarHBondContact O-N 3.43Å
39I79.1Confident84Confident1 Ų144.6 Ų44.61%0.00521%0.208CC..Hα-helixtrans-53.9-42.9179.2-66.6164.6000111.4I4 I9 L28 I36 E37 N41 W42 C43 L46 L65I4-I39 HydrophobicContact CD1-CD1 3.48Å; I4-I39 VanDerWaalsContact CD1-CD1 3.48Å; I4-I39 HydrophobicContact CD1-CG1 4.03Å; I4-I39 HydrophobicContact CG2-CG1 4.12Å; I9-I39 HydrophobicContact CD1-CG1 4.34Å; L28-I39 HydrophobicContact CD1-CD1 4.02Å; I36-I39 HydrophobicContact CG2-CD1 3.85Å; E37-I39 PolarHBondContact O-N 3.36Å; I39-N41 PolarHBondContact O-N 2.95Å; I39-W42 PolarHBondContact O-N 2.8Å; I39-C43 HydrophobicContact CG2-CB 4.42Å; I39-C43 PolarHBondContact O-N 3.33Å; I39-L46 HydrophobicContact CG2-CD2 4.28Å; I39-L65 HydrophobicContact CG2-CD1 4.28Å
40E74.8Confident84.3Confident21 Ų2144.5 Ų44.510%0.09821%0.205CC..Hα-helixtrans-61.3-23.7179.754.4158.2-147.700115.1L38 N61 K64L38-E40 PolarHBondContact O-N 3.31Å; E40-N61 WeakPolarHBondContact CB-O 3.44Å; E40-N61 HydrophobicContact CG-CB 4.24Å; E40-K64 HydrophobicContact CB-CB 4.05Å; E40-K64 HydrophobicContact CB-CD 4.1Å; E40-K64 HydrophobicContact CB-CG 4.36Å; E40-K64 VanDerWaalsContact CD-NZ 3.3Å; E40-K64 HydrophobicContact CG-CD 4.31Å; E40-K64 IonicContact OE1-NZ 4Å; E40-K64 PolarHBondContact OE1-NZ 2.76Å; E40-K64 WeakPolarHBondContact OE2-CD 3.39Å; E40-K64 WeakPolarHBondContact OE2-CE 3.17Å; E40-K64 WeakPolarHBondContact OE2-CG 3.45Å; E40-K64 IonicContact OE2-NZ 3.65Å
41N80.2Confident84.7Confident72 Ų7239 Ų3939%0.38518%0.179SC..Hα-helixtrans-86.3-33.9-179-67.5-28.3000111.4L38 I39 K64L38-N41 PolarHBondContact O-N 3.25Å; I39-N41 PolarHBondContact O-N 2.95Å; N41-K64 PolarHBondContact OD1-NZ 2.9Å; N41-K64 VanDerWaalsContact OD1-NZ 3.13Å
42W76.7Confident85.1Confident37 Ų3739.6 Ų39.614%0.1418%0.183CC..Hα-helixtrans-93.1-43.6-173.8-60.6-38.3000113E6 I9 I20 Y21 L38 I39E6-W42 HydrophobicContact CB-CH2 3.76Å; E6-W42 HydrophobicContact CB-CZ2 3.77Å; E6-W42 HydrophobicContact CB-CZ3 4.35Å; E6-W42 HydrophobicContact CG-CZ2 4.31Å; I9-W42 HydrophobicContact CD1-CE3 3.46Å; I9-W42 VanDerWaalsContact CD1-CE3 3.46Å; I9-W42 HydrophobicContact CD1-CZ3 3.78Å; I20-W42 HydrophobicContact CD1-CB 3.97Å; I20-W42 HydrophobicContact CD1-CG 3.97Å; I20-W42 HydrophobicContact CG1-CB 4.41Å; Y21-W42 WeakPolarHBondContact CA-O 3.46Å; Y21-W42 WeakPolarHBondContact CD1-O 3.37Å; L38-W42 HydrophobicContact CB-CD2 4.3Å; L38-W42 HydrophobicContact CB-CE3 3.87Å; L38-W42 HydrophobicContact CB-CH2 3.62Å; L38-W42 HydrophobicContact CB-CZ2 4Å; L38-W42 HydrophobicContact CB-CZ3 3.55Å; L38-W42 HydrophobicContact CD1-CH2 3.55Å; L38-W42 HydrophobicContact CD1-CZ2 3.95Å; L38-W42 HydrophobicContact CD1-CZ3 4.25Å; L38-W42 HydrophobicContact CG-CH2 4.18Å; L38-W42 HydrophobicContact CG-CZ2 4.45Å; L38-W42 PolarHBondContact O-N 3.43Å; I39-W42 PolarHBondContact O-N 2.8Å
43C80.8Confident85.5Confident0 Ų040 Ų400%019%0.185CC..  trans-110.864.5-168.3-58.20000112I39 S45 L46 L65I39-C43 HydrophobicContact CG2-CB 4.42Å; I39-C43 PolarHBondContact O-N 3.33Å; C43-S45 VanDerWaalsContact C-N 3.26Å; C43-S45 PolarHBondContact O-N 3.35Å; C43-L46 HydrophobicContact CB-CB 4.17Å; C43-L46 HydrophobicContact CB-CD1 4.29Å; C43-L46 WeakPolarHBondContact O-CB 3.44Å; C43-L46 PolarHBondContact O-N 3.48Å; C43-L65 VanDerWaalsContact O-CD2 3.26Å; C43-L65 WeakPolarHBondContact O-CD2 3.22Å
44K81.6Confident85.8Confident144 Ų14440.1 Ų40.163%0.62619%0.185SC*.THydrogen-bonded Turntrans-68.2-22.8-176.2-65.5-179.6-177175.10114.2
45S84.3Confident86Confident21 Ų2138.7 Ų38.715%0.14718%0.179CC..THydrogen-bonded Turntrans-92.67.4179.554.60000114.3Y21 L23 C43 K47Y21-S45 PolarHBondContact O-OG 3.43Å; L23-S45 CarbonylContact O-C 3.58Å; L23-S45 PolarHBondContact O-OG 2.69Å; C43-S45 VanDerWaalsContact C-N 3.26Å; C43-S45 PolarHBondContact O-N 3.35Å; S45-K47 PolarHBondContact O-N 3.37Å
46L89.6Confident86.4Confident1 Ų133.2 Ų33.21%0.00516%0.158CC..  trans-62.4128.3-173.1-160.574000111.5L23 V26 I39 C43 L49 L65 K67 L68L23-L46 WeakPolarHBondContact O-CA 3.43Å; L23-L46 PolarHBondContact O-N 3.45Å; V26-L46 HydrophobicContact CB-CD1 3.79Å; V26-L46 HydrophobicContact CB-CD2 4.46Å; V26-L46 HydrophobicContact CG2-CD1 3.44Å; V26-L46 VanDerWaalsContact CG2-CD1 3.44Å; I39-L46 HydrophobicContact CG2-CD2 4.28Å; C43-L46 HydrophobicContact CB-CB 4.17Å; C43-L46 HydrophobicContact CB-CD1 4.29Å; C43-L46 WeakPolarHBondContact O-CB 3.44Å; C43-L46 PolarHBondContact O-N 3.48Å; L46-L49 HydrophobicContact CD2-CB 3.8Å; L46-L49 HydrophobicContact CD2-CD1 4.02Å; L46-L49 HydrophobicContact CD2-CD2 4.17Å; L46-L49 HydrophobicContact CD2-CG 4.2Å; L46-L65 HydrophobicContact CB-CD2 4.39Å; L46-L65 HydrophobicContact CD2-CD1 4.43Å; L46-K67 CarbonylContact O-C 3.56Å; L46-L68 HydrophobicContact CD2-CD1 4.15Å; L46-L68 HydrophobicContact CG-CD1 4.32Å; L46-L68 VanDerWaalsContact O-CA 3.24Å; L46-L68 WeakPolarHBondContact O-CA 3.45Å; L46-L68 PolarHBondContact O-N 3.39Å; L46-L68 VanDerWaalsContact O-N 3.1Å
47K92.3Very high86.8Confident65 Ų6535.8 Ų35.828%0.28318%0.175SC..  trans-104.1-36.3175.3-62.9-179.6-171.8157.90111.8E24 S45 K67 E69 Y70E24-K47 HydrophobicContact CB-CD 4.34Å; E24-K47 HydrophobicContact CB-CG 4.38Å; E24-K47 WeakPolarHBondContact O-CA 3.4Å; E24-K47 PolarHBondContact O-N 3.32Å; E24-K47 WeakPolarHBondContact OE1-CE 3.42Å; E24-K47 IonicContact OE1-NZ 2.69Å; E24-K47 PolarHBondContact OE1-NZ 3.03Å; E24-K47 WeakPolarHBondContact OE2-CE 3.46Å; E24-K47 IonicContact OE2-NZ 3.28Å; E24-K47 PolarHBondContact OE2-NZ 3.23Å; S45-K47 PolarHBondContact O-N 3.37Å; K47-K67 WeakPolarHBondContact CA-O 3.37Å; K47-E69 HydrophobicContact CB-CG 4.47Å; K47-E69 PolarHBondContact O-N 3.26Å; K47-Y70 PolarHBondContact O-N 3.23Å
48I93.7Very high87.2Confident47 Ų4739.2 Ų39.224%0.24119%0.189CC..EExtended strand (participates in β ladder)trans-128.9125.4-174.4-55.8176.4000109.9E24 E25 V26 Y50 Y70E24-I48 PolarHBondContact O-N 2.95Å; E25-I48 WeakPolarHBondContact CA-O 3.44Å; E25-I48 HydrophobicContact CB-CB 4.32Å; E25-I48 HydrophobicContact CG-CB 4.11Å; E25-I48 HydrophobicContact CG-CG2 4.25Å; V26-I48 PolarHBondContact N-O 3.45Å; I48-Y50 HydrophobicContact CG2-CD2 3.81Å; I48-Y50 HydrophobicContact CG2-CE1 4.4Å; I48-Y50 HydrophobicContact CG2-CE2 3.26Å; I48-Y70 WeakPolarHBondContact CA-O 3.17Å; I48-Y70 HydrophobicContact CG2-CD1 3.77Å; I48-Y70 HydrophobicContact CG2-CG 4.48Å
49L92.6Very high87.9Confident0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-126.9114.7178.2-177.453.5000111.1V26 L46 L51 L62 L65 L68 Y70 L71 N72V26-L49 HydrophobicContact CB-CD1 4.2Å; V26-L49 HydrophobicContact CG1-CD1 4.03Å; L46-L49 HydrophobicContact CD2-CB 3.8Å; L46-L49 HydrophobicContact CD2-CD1 4.02Å; L46-L49 HydrophobicContact CD2-CD2 4.17Å; L46-L49 HydrophobicContact CD2-CG 4.2Å; L49-L51 HydrophobicContact CD1-CD1 4.26Å; L49-L51 HydrophobicContact CD1-CD2 4.47Å; L49-L51 HydrophobicContact CD1-CG 3.99Å; L49-L51 HydrophobicContact CD2-CD1 3.72Å; L49-L51 HydrophobicContact CD2-CG 4.34Å; L49-L51 HydrophobicContact CG-CD1 3.83Å; L49-L51 HydrophobicContact CG-CG 3.91Å; L49-L62 HydrophobicContact CD2-CD2 3.96Å; L49-L65 HydrophobicContact CD2-CD1 4.44Å; L49-L68 HydrophobicContact CB-CD1 3.74Å; L49-Y70 PolarHBondContact N-O 2.91Å; L49-L71 HydrophobicContact CB-CD1 3.98Å; L49-L71 HydrophobicContact CD2-CD1 3.89Å; L49-L71 HydrophobicContact CG-CD1 3.99Å; L49-N72 PolarHBondContact O-N 3.21Å
50Y93.7Very high88.4Confident56 Ų5637.7 Ų37.722%0.2218%0.18CC..EExtended strand (participates in β ladder)trans-101.5107.3176.9-68.7-73.2000110.3E25 V26 L28 I48 Q52 Y70 N72E25-Y50 HydrophobicContact CG-CD2 4.37Å; E25-Y50 HydrophobicContact CG-CE2 4.1Å; E25-Y50 WeakPolarHBondContact OE1-CE2 3.19Å; V26-Y50 PolarHBondContact O-N 2.92Å; L28-Y50 CarbonylContact C-O 3.45Å; L28-Y50 WeakPolarHBondContact CA-O 3.47Å; L28-Y50 PolarHBondContact N-O 3.1Å; I48-Y50 HydrophobicContact CG2-CD2 3.81Å; I48-Y50 HydrophobicContact CG2-CE1 4.4Å; I48-Y50 HydrophobicContact CG2-CE2 3.26Å; Y50-Q52 VanDerWaalsContact CB-OE1 3.22Å; Y50-Y70 HydrophobicContact CD1-CE1 4.37Å; Y50-Y70 HydrophobicContact CE1-CD1 4.22Å; Y50-Y70 AromaticContact CE1-CE1 3.53Å; Y50-Y70 HydrophobicContact CE1-CE1 3.53Å; Y50-Y70 AromaticContact CZ-CE1 3.95Å; Y50-N72 HydrophobicContact CD1-CB 3.95Å
51L92.8Very high89Confident0 Ų039.2 Ų39.20%019%0.189CC..  trans-119.823.5178.9-74.6169.5000111.8L28 L33 I36 L49 N54 I56 L71 N72 L73 N76L28-L51 HydrophobicContact CB-CD2 3.75Å; L28-L51 HydrophobicContact CD1-CD2 4.12Å; L33-L51 HydrophobicContact CD1-CD2 3.81Å; I36-L51 HydrophobicContact CD1-CD1 3.76Å; I36-L51 HydrophobicContact CG1-CD1 4.05Å; L49-L51 HydrophobicContact CD1-CD1 4.26Å; L49-L51 HydrophobicContact CD1-CD2 4.47Å; L49-L51 HydrophobicContact CD1-CG 3.99Å; L49-L51 HydrophobicContact CD2-CD1 3.72Å; L49-L51 HydrophobicContact CD2-CG 4.34Å; L49-L51 HydrophobicContact CG-CD1 3.83Å; L49-L51 HydrophobicContact CG-CG 3.91Å; L51-N54 VanDerWaalsContact C-ND2 3.34Å; L51-N54 PolarHBondContact O-ND2 2.75Å; L51-I56 HydrophobicContact CB-CD1 4.17Å; L51-I56 HydrophobicContact CD1-CD1 4.2Å; L51-I56 HydrophobicContact CD2-CD1 4.18Å; L51-I56 HydrophobicContact CG-CD1 4.43Å; L51-L71 HydrophobicContact CD1-CD1 4.46Å; L51-N72 CarbonylContact C-O 3.43Å; L51-N72 WeakPolarHBondContact CA-O 3.34Å; L51-N72 WeakPolarHBondContact CB-O 3.16Å; L51-N72 PolarHBondContact N-O 2.94Å; L51-L73 HydrophobicContact CB-CD2 3.71Å; L51-L73 HydrophobicContact CD1-CD2 3.77Å; L51-L73 HydrophobicContact CG-CD2 4.42Å; L51-N76 PolarHBondContact O-ND2 3.27Å
52Q92.8Very high89.3Confident48 Ų4835.8 Ų35.822%0.22417%0.171CC..  trans-66.1147.4-176.870.5-82.317.500113.3H29 Q30 Y50 A74H29-Q52 VanDerWaalsContact CA-O 3.22Å; H29-Q52 WeakPolarHBondContact CA-O 3.44Å; H29-Q52 HydrophobicContact CB-CG 3.76Å; H29-Q52 WeakPolarHBondContact CB-O 3.22Å; Q30-Q52 PolarHBondContact N-O 3.2Å; Q30-Q52 VanDerWaalsContact N-O 3.11Å; Y50-Q52 VanDerWaalsContact CB-OE1 3.22Å; Q52-A74 CarbonylContact C-O 3.14Å; Q52-A74 WeakPolarHBondContact CA-O 3.1Å; Q52-A74 HydrophobicContact CB-CB 4.08Å
53N92.2Very high89.7Confident57 Ų5737.1 Ų37.131%0.30519%0.185SC..SBendtrans55.851.8178.6-162.233.1000113Q30 A74 L75Q30-N53 WeakPolarHBondContact CA-O 3.4Å; Q30-N53 HydrophobicContact CG-CB 4.04Å; Q30-N53 PolarHBondContact N-O 3.09Å; N53-A74 PolarHBondContact N-O 3.1Å; N53-L75 WeakPolarHBondContact CA-O 3.49Å; N53-L75 HydrophobicContact CB-CB 4.24Å; N53-L75 HydrophobicContact CB-CD1 4.45Å
54N92.5Very high89.9Confident1 Ų141.9 Ų41.91%0.00521%0.206CC..SBendtrans-114.1-168168.8-71.8-58.1000109.9L28 Q31 N32 L33 L51 I56 N76 R223L28-N54 PolarHBondContact O-ND2 3.41Å; Q31-N54 WeakPolarHBondContact CA-OD1 3.48Å; Q31-N54 PolarHBondContact N-OD1 2.94Å; N32-N54 PolarHBondContact N-OD1 3.01Å; L33-N54 HydrophobicContact CB-CB 4.12Å; L33-N54 PolarHBondContact N-OD1 3.49Å; L51-N54 VanDerWaalsContact C-ND2 3.34Å; L51-N54 PolarHBondContact O-ND2 2.75Å; N54-I56 HydrophobicContact CB-CD1 4.06Å; N54-I56 HydrophobicContact CB-CG1 4.07Å; N54-N76 VanDerWaalsContact CA-OD1 3.25Å; N54-N76 WeakPolarHBondContact CA-OD1 3.31Å; N54-N76 WeakPolarHBondContact CB-OD1 3.26Å; N54-N76 PolarHBondContact N-OD1 2.65Å; N54-N76 PolarHBondContact O-OD1 2.82Å; N54-R223 PolarHBondContact O-NH2 3.45Å; N54-R223 VanDerWaalsContact O-NH2 3.13Å
55L90.4Very high90.3Very high7 Ų735.1 Ų35.14%0.03718%0.177CC..  trans-117.426.1-177.3-61.4173.9000111.4N32 L33 E34 P57 R223 I224 H227N32-L55 HydrophobicContact CB-CD1 4.38Å; L33-L55 CarbonylContact O-C 3.56Å; L33-L55 VanDerWaalsContact O-C 3.23Å; L33-L55 WeakPolarHBondContact O-CA 3.28Å; L33-L55 PolarHBondContact O-N 2.91Å; E34-L55 HydrophobicContact CG-CB 4.19Å; L55-P57 VanDerWaalsContact O-CD 3.27Å; L55-P57 WeakPolarHBondContact O-CD 3.41Å; L55-R223 HydrophobicContact CD2-CB 3.91Å; L55-I224 HydrophobicContact CB-CG1 4.44Å; L55-I224 HydrophobicContact CD1-CG1 4.43Å; L55-H227 HydrophobicContact CD1-CB 3.84Å
56I92.3Very high90.5Very high0 Ų039.3 Ų39.30%019%0.192CC..  trans-71116.2-172.2-60.3164.2000109.2L33 I36 L51 N54 K58 L73 N76 N77 I78L33-I56 HydrophobicContact CB-CG1 4.29Å; L33-I56 WeakPolarHBondContact O-CG1 3.21Å; L33-I56 PolarHBondContact O-N 2.96Å; I36-I56 HydrophobicContact CD1-CD1 4.19Å; I36-I56 HydrophobicContact CD1-CG2 4.15Å; I36-I56 HydrophobicContact CG1-CD1 3.75Å; I36-I56 HydrophobicContact CG1-CG1 4.32Å; I36-I56 HydrophobicContact CG1-CG2 4Å; L51-I56 HydrophobicContact CB-CD1 4.17Å; L51-I56 HydrophobicContact CD1-CD1 4.2Å; L51-I56 HydrophobicContact CD2-CD1 4.18Å; L51-I56 HydrophobicContact CG-CD1 4.43Å; N54-I56 HydrophobicContact CB-CD1 4.06Å; N54-I56 HydrophobicContact CB-CG1 4.07Å; I56-K58 WeakPolarHBondContact CG2-O 3.45Å; I56-L73 HydrophobicContact CD1-CD2 4.23Å; I56-N76 HydrophobicContact CB-CB 4.49Å; I56-N76 PolarHBondContact N-OD1 3.07Å; I56-N77 CarbonylContact O-C 3.55Å; I56-N77 VanDerWaalsContact O-C 3.24Å; I56-N77 WeakPolarHBondContact O-CA 3.46Å; I56-N77 WeakPolarHBondContact O-CB 3.44Å; I56-N77 PolarHBondContact O-N 3.24Å; I56-I78 WeakPolarHBondContact O-CG1 3.44Å; I56-I78 PolarHBondContact O-N 3.38Å
57P91.1Very high90.7Very high55 Ų5545 Ų4536%0.35722%0.217SC..  trans-84.8-23.5-17833.3-32.7000112.9E34 L55 N77 I78E34-P57 WeakPolarHBondContact O-CD 3.34Å; L55-P57 VanDerWaalsContact O-CD 3.27Å; L55-P57 WeakPolarHBondContact O-CD 3.41Å; P57-N77 WeakPolarHBondContact CA-O 3.13Å; P57-I78 WeakPolarHBondContact O-CA 3.28Å
58K91Very high90.7Very high117 Ų11741.9 Ų41.951%0.50920%0.203SC..SBendtrans-144.8143.9-174.4-66.1-172.4174.1-163.20110.9I56I56-K58 WeakPolarHBondContact CG2-O 3.45Å
59I91.2Very high90.9Very high0 Ų043 Ų430%021%0.207CC..  trans-82116.2172.6-53.3177.3000106.9L62 L73 I78 E82 N83 L84 L95I59-L62 HydrophobicContact CG2-CD1 3.53Å; I59-L62 HydrophobicContact CG2-CG 4.34Å; I59-L73 HydrophobicContact CD1-CD1 3.84Å; I59-L73 HydrophobicContact CG1-CD1 3.95Å; I59-I78 HydrophobicContact CD1-CD1 4.17Å; I59-I78 HydrophobicContact CD1-CG2 4.31Å; I59-I78 HydrophobicContact CG1-CD1 3.81Å; I59-I78 HydrophobicContact CG1-CG1 4.32Å; I59-I78 HydrophobicContact CG1-CG2 4.18Å; I59-E82 WeakPolarHBondContact CB-O 3.1Å; I59-N83 WeakPolarHBondContact O-CB 3.5Å; I59-N83 PolarHBondContact O-ND2 3.27Å; I59-L84 HydrophobicContact CD1-CD1 4.03Å; I59-L84 HydrophobicContact CD1-CG 4.46Å; I59-L84 HydrophobicContact CG2-CD2 3.87Å; I59-L84 HydrophobicContact CG2-CG 4.08Å; I59-L95 HydrophobicContact CD1-CD2 4.23Å
60E90Very high91.1Very high42 Ų4244.8 Ų44.820%0.19622%0.215CC..  trans-144.4161.6178.957.8179.717500110R35 I36 L62R35-E60 IonicContact CZ-OE1 3.69Å; R35-E60 IonicContact NE-OE1 2.67Å; R35-E60 PolarHBondContact NE-OE1 3.35Å; R35-E60 IonicContact NH2-OE1 3.94Å; R35-E60 PolarHBondContact NH2-OE1 2.71Å; R35-E60 VanDerWaalsContact NH2-OE1 3.11Å; R35-E60 IonicContact NH2-OE2 3.81Å; R35-E60 PolarHBondContact NH2-OE2 2.94Å; I36-E60 WeakPolarHBondContact CB-O 3.42Å; I36-E60 WeakPolarHBondContact CG2-O 3.38Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 2.75Å
61N87Confident91.2Very high54 Ų5442.1 Ų42.129%0.28920%0.204SC..SBendtrans58.931.7174.5-53.5-48.3000115.4I36 E40I36-N61 WeakPolarHBondContact O-CB 3.42Å; I36-N61 PolarHBondContact O-ND2 2.89Å; E40-N61 WeakPolarHBondContact CB-O 3.44Å; E40-N61 HydrophobicContact CG-CB 4.24Å
62L86.8Confident91.4Very high0 Ų042.9 Ų42.90%021%0.208CC..  trans-107.6-7173.8-60.2-178.6000113.4I36 L49 I59 E60 K64 L65 L71 L84 C87I36-L62 HydrophobicContact CD1-CD1 4.32Å; I36-L62 HydrophobicContact CD1-CD2 4.46Å; I36-L62 HydrophobicContact CD1-CG 4.47Å; I36-L62 HydrophobicContact CG2-CD2 3.83Å; I36-L62 HydrophobicContact CG2-CG 4.46Å; L49-L62 HydrophobicContact CD2-CD2 3.96Å; I59-L62 HydrophobicContact CG2-CD1 3.53Å; I59-L62 HydrophobicContact CG2-CG 4.34Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 2.75Å; L62-K64 PolarHBondContact O-N 3.04Å; L62-K64 VanDerWaalsContact O-N 3.1Å; L62-L65 HydrophobicContact CB-CD1 4.49Å; L62-L65 HydrophobicContact CD2-CD1 3.66Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 2.94Å; L62-L71 HydrophobicContact CD1-CD1 4.43Å; L62-L71 HydrophobicContact CD1-CD2 3.61Å; L62-L84 HydrophobicContact CD1-CD2 3.9Å; L62-C87 PolarHBondContact O-SG 2.85Å; L62-C87 VanDerWaalsContact O-SG 3.33Å
63S84.1Confident91.5Very high64 Ų6440.6 Ų40.645%0.44820%0.197SC..THydrogen-bonded Turntrans-64-21.1-170.257.10000114.8G86S63-G86 CarbonylContact O-C 3.58Å; S63-G86 WeakPolarHBondContact O-CA 3.44Å
64K86.1Confident91.7Very high101 Ų10138.2 Ų38.244%0.43919%0.186SC..THydrogen-bonded Turntrans-88.2-9176.8-55.7175.4-173.51490113.6E40 N41 L62 K66E40-K64 HydrophobicContact CB-CB 4.05Å; E40-K64 HydrophobicContact CB-CD 4.1Å; E40-K64 HydrophobicContact CB-CG 4.36Å; E40-K64 VanDerWaalsContact CD-NZ 3.3Å; E40-K64 HydrophobicContact CG-CD 4.31Å; E40-K64 IonicContact OE1-NZ 4Å; E40-K64 PolarHBondContact OE1-NZ 2.76Å; E40-K64 WeakPolarHBondContact OE2-CD 3.39Å; E40-K64 WeakPolarHBondContact OE2-CE 3.17Å; E40-K64 WeakPolarHBondContact OE2-CG 3.45Å; E40-K64 IonicContact OE2-NZ 3.65Å; N41-K64 PolarHBondContact OD1-NZ 2.9Å; N41-K64 VanDerWaalsContact OD1-NZ 3.13Å; L62-K64 PolarHBondContact O-N 3.04Å; L62-K64 VanDerWaalsContact O-N 3.1Å; K64-K66 PolarHBondContact O-N 2.97Å
65L89.6Confident91.8Very high1 Ų141.3 Ų41.31%0.00520%0.202CC..  trans-81.866.2-175.6-59.5179.7000111.7I39 C43 L46 L49 L62 K67 L68I39-L65 HydrophobicContact CG2-CD1 4.28Å; C43-L65 VanDerWaalsContact O-CD2 3.26Å; C43-L65 WeakPolarHBondContact O-CD2 3.22Å; L46-L65 HydrophobicContact CB-CD2 4.39Å; L46-L65 HydrophobicContact CD2-CD1 4.43Å; L49-L65 HydrophobicContact CD2-CD1 4.44Å; L62-L65 HydrophobicContact CB-CD1 4.49Å; L62-L65 HydrophobicContact CD2-CD1 3.66Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 2.94Å; L65-K67 PolarHBondContact O-N 2.82Å; L65-L68 HydrophobicContact CB-CB 3.99Å; L65-L68 HydrophobicContact CD1-CD2 4.31Å; L65-L68 WeakPolarHBondContact O-CB 3.21Å; L65-L68 PolarHBondContact O-N 3.24Å; L65-L68 VanDerWaalsContact O-N 3.15Å
66K89.5Confident92Very high109 Ų10941 Ų4147%0.47420%0.2SC..THydrogen-bonded Turntrans-62.5-26.1-174.9-65.3-177.2172.8-105.40114.4K64 E88 S89K64-K66 PolarHBondContact O-N 2.97Å; K66-E88 IonicContact NZ-OE1 2.75Å; K66-E88 PolarHBondContact NZ-OE1 2.97Å; K66-E88 IonicContact NZ-OE2 3.58Å; K66-S89 WeakPolarHBondContact O-CB 3.3Å; K66-S89 PolarHBondContact O-N 3.13Å; K66-S89 PolarHBondContact O-OG 2.78Å
67K91.9Very high92Very high120 Ų12041 Ų4152%0.52220%0.201SC..THydrogen-bonded Turntrans-93.30.6-179.1-63.4-167.5-174.8177.20113.7L46 K47 L65 E69L46-K67 CarbonylContact O-C 3.56Å; K47-K67 WeakPolarHBondContact CA-O 3.37Å; L65-K67 PolarHBondContact O-N 2.82Å; K67-E69 WeakPolarHBondContact O-CG 3.44Å; K67-E69 PolarHBondContact O-N 3.13Å
68L94.4Very high92.2Very high0 Ų038.4 Ų38.40%018%0.184CC..  trans-67.1118.7-177.5-170.673.5000109.3L46 L49 L65 L71 S89 L90L46-L68 HydrophobicContact CD2-CD1 4.15Å; L46-L68 HydrophobicContact CG-CD1 4.32Å; L46-L68 VanDerWaalsContact O-CA 3.24Å; L46-L68 WeakPolarHBondContact O-CA 3.45Å; L46-L68 PolarHBondContact O-N 3.39Å; L46-L68 VanDerWaalsContact O-N 3.1Å; L49-L68 HydrophobicContact CB-CD1 3.74Å; L65-L68 HydrophobicContact CB-CB 3.99Å; L65-L68 HydrophobicContact CD1-CD2 4.31Å; L65-L68 WeakPolarHBondContact O-CB 3.21Å; L65-L68 PolarHBondContact O-N 3.24Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L68-L71 HydrophobicContact CD2-CB 4.08Å; L68-L71 HydrophobicContact CD2-CD1 4.4Å; L68-L71 HydrophobicContact CD2-CD2 4.34Å; L68-S89 CarbonylContact O-C 3.55Å; L68-L90 HydrophobicContact CD2-CD1 4.09Å; L68-L90 HydrophobicContact CG-CD1 4.1Å; L68-L90 WeakPolarHBondContact O-CA 3.33Å; L68-L90 PolarHBondContact O-N 2.99Å
69E96.1Very high92.3Very high70 Ų7035.1 Ų35.133%0.32717%0.17SC..  trans-102.5-35.4-179.6-58.7-166.3-161.400111.9K47 K67 K91 K92K47-E69 HydrophobicContact CB-CG 4.47Å; K47-E69 PolarHBondContact O-N 3.26Å; K67-E69 WeakPolarHBondContact O-CG 3.44Å; K67-E69 PolarHBondContact O-N 3.13Å; E69-K91 PolarHBondContact O-N 3.06Å; E69-K91 IonicContact OE1-NZ 3.41Å; E69-K91 IonicContact OE2-NZ 2.7Å; E69-K91 PolarHBondContact OE2-NZ 2.85Å; E69-K92 PolarHBondContact O-N 2.98Å
70Y96.8Very high92.4Very high39 Ų3939.6 Ų39.615%0.15319%0.19CC..EExtended strand (participates in β ladder)trans-130.9124.2-180179.4-144.8000111.7K47 I48 L49 Y50 N72 K92 D94K47-Y70 PolarHBondContact O-N 3.23Å; I48-Y70 WeakPolarHBondContact CA-O 3.17Å; I48-Y70 HydrophobicContact CG2-CD1 3.77Å; I48-Y70 HydrophobicContact CG2-CG 4.48Å; L49-Y70 PolarHBondContact N-O 2.91Å; Y50-Y70 HydrophobicContact CD1-CE1 4.37Å; Y50-Y70 HydrophobicContact CE1-CD1 4.22Å; Y50-Y70 AromaticContact CE1-CE1 3.53Å; Y50-Y70 HydrophobicContact CE1-CE1 3.53Å; Y50-Y70 AromaticContact CZ-CE1 3.95Å; Y70-N72 HydrophobicContact CE1-CB 4.41Å; Y70-N72 HydrophobicContact CE2-CB 4.19Å; Y70-N72 PolarHBondContact OH-ND2 2.98Å; Y70-K92 WeakPolarHBondContact CA-O 3.49Å; Y70-K92 HydrophobicContact CD2-CB 3.61Å; Y70-K92 HydrophobicContact CD2-CD 3.57Å; Y70-K92 HydrophobicContact CD2-CG 3.43Å; Y70-K92 VanDerWaalsContact CD2-CG 3.43Å; Y70-K92 WeakPolarHBondContact CD2-O 3.48Å; Y70-K92 HydrophobicContact CE2-CB 4.27Å; Y70-K92 HydrophobicContact CE2-CD 3.53Å; Y70-K92 HydrophobicContact CE2-CG 3.55Å; Y70-K92 HydrophobicContact CG-CB 4.35Å; Y70-K92 HydrophobicContact CG-CD 4.25Å; Y70-K92 HydrophobicContact CG-CG 4.43Å; Y70-D94 HydrophobicContact CE2-CB 4.22Å
71L96.2Very high92.6Very high0 Ų037.8 Ų37.80%018%0.181CC..EExtended strand (participates in β ladder)trans-120.5117.4174.8179.857000110L49 L51 L62 L68 L73 L84 L90 K92 L93 D94L49-L71 HydrophobicContact CB-CD1 3.98Å; L49-L71 HydrophobicContact CD2-CD1 3.89Å; L49-L71 HydrophobicContact CG-CD1 3.99Å; L51-L71 HydrophobicContact CD1-CD1 4.46Å; L62-L71 HydrophobicContact CD1-CD1 4.43Å; L62-L71 HydrophobicContact CD1-CD2 3.61Å; L68-L71 HydrophobicContact CD2-CB 4.08Å; L68-L71 HydrophobicContact CD2-CD1 4.4Å; L68-L71 HydrophobicContact CD2-CD2 4.34Å; L71-L73 HydrophobicContact CD1-CD1 4.21Å; L71-L73 HydrophobicContact CD1-CG 4.01Å; L71-L73 HydrophobicContact CD2-CD1 3.69Å; L71-L73 HydrophobicContact CD2-CG 4.36Å; L71-L73 HydrophobicContact CG-CD1 3.84Å; L71-L73 HydrophobicContact CG-CG 3.96Å; L71-L84 HydrophobicContact CD2-CD2 3.75Å; L71-L90 HydrophobicContact CB-CD1 3.75Å; L71-K92 PolarHBondContact N-O 3.45Å; L71-L93 HydrophobicContact CB-CD1 3.98Å; L71-L93 HydrophobicContact CD2-CD1 3.84Å; L71-L93 HydrophobicContact CG-CD1 3.96Å; L71-D94 PolarHBondContact O-N 3.31Å
72N96.5Very high92.9Very high15 Ų1537.9 Ų37.98%0.0818%0.18CC..EExtended strand (participates in β ladder)trans-106.9109.5174.3-168.5-27.5000110.8L49 Y50 L51 Y70 A74 D94L49-N72 PolarHBondContact O-N 3.21Å; Y50-N72 HydrophobicContact CD1-CB 3.95Å; L51-N72 CarbonylContact C-O 3.43Å; L51-N72 WeakPolarHBondContact CA-O 3.34Å; L51-N72 WeakPolarHBondContact CB-O 3.16Å; L51-N72 PolarHBondContact N-O 2.94Å; Y70-N72 HydrophobicContact CE1-CB 4.41Å; Y70-N72 HydrophobicContact CE2-CB 4.19Å; Y70-N72 PolarHBondContact OH-ND2 2.98Å; N72-A74 WeakPolarHBondContact OD1-CB 3.31Å; N72-A74 PolarHBondContact OD1-N 2.99Å; N72-D94 HydrophobicContact CB-CB 4.49Å
73L95.7Very high93.1Very high0 Ų041.8 Ų41.80%020%0.201CC..  trans-116.825.3176.9-73.8166.4000111.4I36 L51 I56 I59 L71 N76 I78 D94 L95 N98I36-L73 HydrophobicContact CD1-CD2 4.27Å; L51-L73 HydrophobicContact CB-CD2 3.71Å; L51-L73 HydrophobicContact CD1-CD2 3.77Å; L51-L73 HydrophobicContact CG-CD2 4.42Å; I56-L73 HydrophobicContact CD1-CD2 4.23Å; I59-L73 HydrophobicContact CD1-CD1 3.84Å; I59-L73 HydrophobicContact CG1-CD1 3.95Å; L71-L73 HydrophobicContact CD1-CD1 4.21Å; L71-L73 HydrophobicContact CD1-CG 4.01Å; L71-L73 HydrophobicContact CD2-CD1 3.69Å; L71-L73 HydrophobicContact CD2-CG 4.36Å; L71-L73 HydrophobicContact CG-CD1 3.84Å; L71-L73 HydrophobicContact CG-CG 3.96Å; L73-N76 VanDerWaalsContact C-ND2 3.27Å; L73-N76 WeakPolarHBondContact O-CB 3.41Å; L73-N76 PolarHBondContact O-ND2 2.82Å; L73-I78 HydrophobicContact CB-CD1 3.78Å; L73-I78 HydrophobicContact CD1-CD1 3.8Å; L73-I78 HydrophobicContact CD2-CD1 4.16Å; L73-I78 HydrophobicContact CG-CD1 4.14Å; L73-D94 CarbonylContact C-O 3.59Å; L73-D94 WeakPolarHBondContact CA-O 3.21Å; L73-D94 PolarHBondContact N-O 3.22Å; L73-L95 HydrophobicContact CB-CD2 3.81Å; L73-L95 HydrophobicContact CD1-CD2 4.02Å; L73-N98 PolarHBondContact O-ND2 3.46Å
74A95.9Very high93.3Very high8 Ų838.8 Ų38.87%0.06618%0.18CC..THydrogen-bonded Turntrans-56.8146.8177.600000112.6Q52 N53 N72 N76 T96Q52-A74 CarbonylContact C-O 3.14Å; Q52-A74 WeakPolarHBondContact CA-O 3.1Å; Q52-A74 HydrophobicContact CB-CB 4.08Å; N53-A74 PolarHBondContact N-O 3.1Å; N72-A74 WeakPolarHBondContact OD1-CB 3.31Å; N72-A74 PolarHBondContact OD1-N 2.99Å; A74-N76 VanDerWaalsContact C-N 3.34Å; A74-N76 PolarHBondContact O-N 2.78Å; A74-N76 PolarHBondContact O-ND2 3.49Å; A74-T96 CarbonylContact C-O 3.53Å; A74-T96 VanDerWaalsContact CA-O 3.26Å; A74-T96 WeakPolarHBondContact CA-O 3.42Å; A74-T96 WeakPolarHBondContact CB-OG1 3.07Å
75L94.4Very high93.4Very high66 Ų6639.6 Ų39.635%0.34619%0.185SC..THydrogen-bonded Turntrans57.242.1175-63.3161.8000113.5N53 T96 V97 R223N53-L75 WeakPolarHBondContact CA-O 3.49Å; N53-L75 HydrophobicContact CB-CB 4.24Å; N53-L75 HydrophobicContact CB-CD1 4.45Å; L75-T96 PolarHBondContact N-O 2.94Å; L75-V97 WeakPolarHBondContact CA-O 3.41Å; L75-V97 HydrophobicContact CD2-CB 3.72Å; L75-V97 HydrophobicContact CD2-CG1 3.65Å; L75-V97 HydrophobicContact CD2-CG2 4.3Å; L75-V97 HydrophobicContact CG-CB 4.33Å; L75-V97 PolarHBondContact N-O 3.25Å; L75-R223 PolarHBondContact O-NH2 2.73Å; L75-R223 VanDerWaalsContact O-NH2 3.09Å
76N95Very high93.2Very high0 Ų040.3 Ų40.30%019%0.193CC..SBendtrans-108.7-171.4174.8-82.6-66.9000111.6L51 N54 I56 L73 A74 I78 N98L51-N76 PolarHBondContact O-ND2 3.27Å; N54-N76 VanDerWaalsContact CA-OD1 3.25Å; N54-N76 WeakPolarHBondContact CA-OD1 3.31Å; N54-N76 WeakPolarHBondContact CB-OD1 3.26Å; N54-N76 PolarHBondContact N-OD1 2.65Å; N54-N76 PolarHBondContact O-OD1 2.82Å; I56-N76 HydrophobicContact CB-CB 4.49Å; I56-N76 PolarHBondContact N-OD1 3.07Å; L73-N76 VanDerWaalsContact C-ND2 3.27Å; L73-N76 WeakPolarHBondContact O-CB 3.41Å; L73-N76 PolarHBondContact O-ND2 2.82Å; A74-N76 VanDerWaalsContact C-N 3.34Å; A74-N76 PolarHBondContact O-N 2.78Å; A74-N76 PolarHBondContact O-ND2 3.49Å; N76-I78 HydrophobicContact CB-CD1 4.17Å; N76-I78 HydrophobicContact CB-CG1 4.11Å; N76-N98 WeakPolarHBondContact CA-OD1 3.33Å; N76-N98 WeakPolarHBondContact CB-OD1 3.24Å; N76-N98 PolarHBondContact N-OD1 2.67Å; N76-N98 PolarHBondContact O-OD1 3.36Å
77N93.6Very high93.3Very high1 Ų135.1 Ų35.11%0.00517%0.17CC..  trans-104.721.7-177.9-76-0.8000112.3I56 P57 E79 P220 R223I56-N77 CarbonylContact O-C 3.55Å; I56-N77 VanDerWaalsContact O-C 3.24Å; I56-N77 WeakPolarHBondContact O-CA 3.46Å; I56-N77 WeakPolarHBondContact O-CB 3.44Å; I56-N77 PolarHBondContact O-N 3.24Å; P57-N77 WeakPolarHBondContact CA-O 3.13Å; N77-E79 PolarHBondContact O-N 3.02Å; N77-P220 HydrophobicContact CB-CB 3.93Å; N77-P220 HydrophobicContact CB-CG 4.4Å; N77-P220 PolarHBondContact ND2-O 3.2Å; N77-R223 VanDerWaalsContact OD1-CD 3.27Å; N77-R223 WeakPolarHBondContact OD1-CD 3.42Å; N77-R223 PolarHBondContact OD1-NE 3.24Å
78I95.3Very high93.2Very high0 Ų034 Ų340%017%0.167CC..  trans-71.7123.2-170-61.2166.9000110.3I56 P57 I59 L73 N76 K80 L95 N98 F99 I100I56-I78 WeakPolarHBondContact O-CG1 3.44Å; I56-I78 PolarHBondContact O-N 3.38Å; P57-I78 WeakPolarHBondContact O-CA 3.28Å; I59-I78 HydrophobicContact CD1-CD1 4.17Å; I59-I78 HydrophobicContact CD1-CG2 4.31Å; I59-I78 HydrophobicContact CG1-CD1 3.81Å; I59-I78 HydrophobicContact CG1-CG1 4.32Å; I59-I78 HydrophobicContact CG1-CG2 4.18Å; L73-I78 HydrophobicContact CB-CD1 3.78Å; L73-I78 HydrophobicContact CD1-CD1 3.8Å; L73-I78 HydrophobicContact CD2-CD1 4.16Å; L73-I78 HydrophobicContact CG-CD1 4.14Å; N76-I78 HydrophobicContact CB-CD1 4.17Å; N76-I78 HydrophobicContact CB-CG1 4.11Å; I78-K80 WeakPolarHBondContact CG2-O 2.98Å; I78-L95 HydrophobicContact CD1-CD2 3.76Å; I78-N98 HydrophobicContact CB-CB 4.3Å; I78-N98 WeakPolarHBondContact CB-OD1 3.36Å; I78-N98 PolarHBondContact N-OD1 3.3Å; I78-F99 CarbonylContact O-C 3.49Å; I78-F99 WeakPolarHBondContact O-CA 3.46Å; I78-F99 PolarHBondContact O-N 3Å; I78-I100 HydrophobicContact CG2-CG1 4.21Å; I78-I100 PolarHBondContact O-N 2.97Å; I78-I100 VanDerWaalsContact O-N 3.17Å
79E93.1Very high93.2Very high47 Ų4736.1 Ų36.122%0.2218%0.181CC..  trans-96.8-21.4177-65-168.6155.100113.8N77 F99 I100 G101 R180 K184N77-E79 PolarHBondContact O-N 3.02Å; E79-F99 WeakPolarHBondContact CA-O 3.44Å; E79-F99 HydrophobicContact CG-CB 4.33Å; E79-I100 WeakPolarHBondContact O-CA 3.46Å; E79-G101 PolarHBondContact O-N 2.75Å; E79-R180 IonicContact OE1-CZ 2.73Å; E79-R180 VanDerWaalsContact OE1-CZ 3.23Å; E79-R180 IonicContact OE1-NE 2.78Å; E79-R180 PolarHBondContact OE1-NE 2.74Å; E79-R180 IonicContact OE1-NH2 3.84Å; E79-R180 PolarHBondContact OE1-NH2 2.87Å; E79-K184 WeakPolarHBondContact OE1-CE 3.37Å; E79-K184 IonicContact OE1-NZ 2.78Å; E79-K184 PolarHBondContact OE1-NZ 2.95Å; E79-K184 VanDerWaalsContact OE1-NZ 3.15Å; E79-K184 IonicContact OE2-NZ 3.98Å; E79-K184 PolarHBondContact OE2-NZ 3.23Å
80K93.3Very high93.2Very high95 Ų9532.8 Ų32.841%0.41317%0.166SC..SBendtrans-146.7144.2-174-59.8-167.7176.4-1390111I78 D102I78-K80 WeakPolarHBondContact CG2-O 2.98Å; K80-D102 HydrophobicContact CD-CB 4.35Å; K80-D102 WeakPolarHBondContact CE-OD2 3.43Å; K80-D102 HydrophobicContact CG-CB 3.92Å; K80-D102 IonicContact NZ-OD2 3.61Å; K80-D102 PolarHBondContact NZ-OD2 3.18Å
81V93.5Very high93.2Very high3 Ų335 Ų352%0.01818%0.176CC..  trans-89111.2172.2-1740000108.7L84 L95 I100 S105 I106 S108 L109V81-L84 HydrophobicContact CG1-CD1 3.93Å; V81-L95 HydrophobicContact CG2-CD1 3.79Å; V81-I100 HydrophobicContact CG2-CD1 3.84Å; V81-I100 HydrophobicContact CG2-CG2 4.41Å; V81-S105 PolarHBondContact N-OG 2.93Å; V81-S105 WeakPolarHBondContact O-CB 3.42Å; V81-S105 VanDerWaalsContact O-O 3.11Å; V81-I106 HydrophobicContact CG2-CG1 4.19Å; V81-S108 PolarHBondContact O-OG 3.3Å; V81-L109 HydrophobicContact CG1-CD1 4.02Å; V81-L109 HydrophobicContact CG1-CD2 3.73Å; V81-L109 HydrophobicContact CG1-CG 3.79Å
82E92.6Very high93.3Very high57 Ų5737.6 Ų37.627%0.26619%0.187SC..  trans-146.8166.3-178.857-176.7-175.800110.8I59 L84I59-E82 WeakPolarHBondContact CB-O 3.1Å; E82-L84 VanDerWaalsContact C-N 3.27Å; E82-L84 PolarHBondContact O-N 3.46Å
83N90.8Very high93.3Very high82 Ų8236.9 Ų36.944%0.43918%0.184SC..SBendtrans60.623.3172.5-54.3-47.6000116.5I59I59-N83 WeakPolarHBondContact O-CB 3.5Å; I59-N83 PolarHBondContact O-ND2 3.27Å
84L89.7Confident93.4Very high0 Ų037.9 Ų37.90%019%0.189CC..  trans-97.41175.7-70.2172.1000113.9I59 L62 L71 V81 E82 G86 C87 L93 L109 V112I59-L84 HydrophobicContact CD1-CD1 4.03Å; I59-L84 HydrophobicContact CD1-CG 4.46Å; I59-L84 HydrophobicContact CG2-CD2 3.87Å; I59-L84 HydrophobicContact CG2-CG 4.08Å; L62-L84 HydrophobicContact CD1-CD2 3.9Å; L71-L84 HydrophobicContact CD2-CD2 3.75Å; V81-L84 HydrophobicContact CG1-CD1 3.93Å; E82-L84 VanDerWaalsContact C-N 3.27Å; E82-L84 PolarHBondContact O-N 3.46Å; L84-G86 PolarHBondContact O-N 3.05Å; L84-C87 WeakPolarHBondContact O-CB 3.31Å; L84-C87 PolarHBondContact O-N 3.37Å; L84-C87 VanDerWaalsContact O-N 3.07Å; L84-L93 HydrophobicContact CD1-CD1 4.46Å; L84-L93 HydrophobicContact CD1-CD2 3.71Å; L84-L109 HydrophobicContact CB-CD2 4.09Å; L84-L109 HydrophobicContact CD1-CD2 3.58Å; L84-L109 HydrophobicContact CG-CD2 4.5Å; L84-V112 WeakPolarHBondContact O-CG2 3.17Å
85E87.2Confident93.4Very high119 Ų11937.5 Ų37.556%0.55619%0.186SC*.THydrogen-bonded Turntrans-60.7-28.2-175.9-59.1178.217000113.6N111E85-N111 HydrophobicContact CG-CB 4.42Å
86G86.6Confident93.5Very high16 Ų1635.9 Ų35.917%0.16518%0.179CC..THydrogen-bonded Turntrans-84.7-9.3178.500000115.1S63 L84 E88S63-G86 CarbonylContact O-C 3.58Å; S63-G86 WeakPolarHBondContact O-CA 3.44Å; L84-G86 PolarHBondContact O-N 3.05Å; G86-E88 PolarHBondContact O-N 2.79Å
87C91.9Very high93.5Very high0 Ų038.6 Ų38.60%020%0.195CC..  trans-82.663179.9-62.30000110.7L62 L84 S89 L90L62-C87 PolarHBondContact O-SG 2.85Å; L62-C87 VanDerWaalsContact O-SG 3.33Å; L84-C87 WeakPolarHBondContact O-CB 3.31Å; L84-C87 PolarHBondContact O-N 3.37Å; L84-C87 VanDerWaalsContact O-N 3.07Å; C87-S89 VanDerWaalsContact C-N 3.27Å; C87-S89 PolarHBondContact O-N 2.83Å; C87-S89 VanDerWaalsContact O-N 3.17Å; C87-L90 HydrophobicContact CB-CB 3.99Å; C87-L90 HydrophobicContact CB-CD2 4.41Å; C87-L90 VanDerWaalsContact O-CB 3.3Å; C87-L90 WeakPolarHBondContact O-CB 3.44Å; C87-L90 PolarHBondContact O-N 3.01Å; C87-L90 VanDerWaalsContact O-N 3.1Å
88E89.9Confident93.6Very high97 Ų9738.8 Ų38.845%0.45320%0.196SC..THydrogen-bonded Turntrans-54.4-38.5-171.2-66.5166.2-153.600113.1K66 G86 L90 F114K66-E88 IonicContact NZ-OE1 2.75Å; K66-E88 PolarHBondContact NZ-OE1 2.97Å; K66-E88 IonicContact NZ-OE2 3.58Å; G86-E88 PolarHBondContact O-N 2.79Å; E88-L90 PolarHBondContact O-N 3.34Å; E88-F114 WeakPolarHBondContact O-CD2 3.4Å
89S94Very high93.6Very high43 Ų4339.7 Ų39.730%0.30120%0.2SC..THydrogen-bonded Turntrans-89.17.6-176.8-53.80000114.9K66 L68 C87 K91K66-S89 WeakPolarHBondContact O-CB 3.3Å; K66-S89 PolarHBondContact O-N 3.13Å; K66-S89 PolarHBondContact O-OG 2.78Å; L68-S89 CarbonylContact O-C 3.55Å; C87-S89 VanDerWaalsContact C-N 3.27Å; C87-S89 PolarHBondContact O-N 2.83Å; C87-S89 VanDerWaalsContact O-N 3.17Å; S89-K91 PolarHBondContact O-N 2.67Å
90L96.2Very high93.7Very high0 Ų037.4 Ų37.40%019%0.19CC..  trans-69.8117.8-172.1-172.773.8000111L68 L71 C87 E88 L93 V112 F114 L115L68-L90 HydrophobicContact CD2-CD1 4.09Å; L68-L90 HydrophobicContact CG-CD1 4.1Å; L68-L90 WeakPolarHBondContact O-CA 3.33Å; L68-L90 PolarHBondContact O-N 2.99Å; L71-L90 HydrophobicContact CB-CD1 3.75Å; C87-L90 HydrophobicContact CB-CB 3.99Å; C87-L90 HydrophobicContact CB-CD2 4.41Å; C87-L90 VanDerWaalsContact O-CB 3.3Å; C87-L90 WeakPolarHBondContact O-CB 3.44Å; C87-L90 PolarHBondContact O-N 3.01Å; C87-L90 VanDerWaalsContact O-N 3.1Å; E88-L90 PolarHBondContact O-N 3.34Å; L90-L93 HydrophobicContact CD2-CB 4.31Å; L90-V112 HydrophobicContact CB-CG1 3.86Å; L90-F114 CarbonylContact O-C 3.43Å; L90-L115 HydrophobicContact CD2-CD1 4.32Å; L90-L115 HydrophobicContact CG-CD1 4.29Å; L90-L115 WeakPolarHBondContact O-CA 3.26Å; L90-L115 PolarHBondContact O-N 2.93Å; L90-L115 VanDerWaalsContact O-N 3.13Å
91K96.7Very high93.6Very high85 Ų8533.1 Ų33.137%0.3717%0.172SC..  trans-102.3-36.5-178.9-65.6173.4-171160.60112.8E69 S89 F114 E116 E117E69-K91 PolarHBondContact O-N 3.06Å; E69-K91 IonicContact OE1-NZ 3.41Å; E69-K91 IonicContact OE2-NZ 2.7Å; E69-K91 PolarHBondContact OE2-NZ 2.85Å; S89-K91 PolarHBondContact O-N 2.67Å; K91-F114 WeakPolarHBondContact CA-O 3.47Å; K91-E116 PolarHBondContact O-N 2.96Å; K91-E117 PolarHBondContact O-N 3.17Å
92K97.4Very high93.6Very high55 Ų5534.1 Ų34.124%0.23918%0.177CC..EExtended strand (participates in β ladder)trans-129.2125.6-175.5-177.1176.2-179.6130.50110.4E69 Y70 L71 E117 Y119E69-K92 PolarHBondContact O-N 2.98Å; Y70-K92 WeakPolarHBondContact CA-O 3.49Å; Y70-K92 HydrophobicContact CD2-CB 3.61Å; Y70-K92 HydrophobicContact CD2-CD 3.57Å; Y70-K92 HydrophobicContact CD2-CG 3.43Å; Y70-K92 VanDerWaalsContact CD2-CG 3.43Å; Y70-K92 WeakPolarHBondContact CD2-O 3.48Å; Y70-K92 HydrophobicContact CE2-CB 4.27Å; Y70-K92 HydrophobicContact CE2-CD 3.53Å; Y70-K92 HydrophobicContact CE2-CG 3.55Å; Y70-K92 HydrophobicContact CG-CB 4.35Å; Y70-K92 HydrophobicContact CG-CD 4.25Å; Y70-K92 HydrophobicContact CG-CG 4.43Å; L71-K92 PolarHBondContact N-O 3.45Å; K92-E117 WeakPolarHBondContact CA-O 3.43Å; K92-E117 HydrophobicContact CB-CB 4.11Å; K92-E117 WeakPolarHBondContact CD-OE2 3.37Å; K92-E117 WeakPolarHBondContact CE-OE2 3.4Å; K92-E117 HydrophobicContact CG-CB 3.86Å; K92-E117 IonicContact NZ-OE2 2.94Å; K92-E117 PolarHBondContact NZ-OE2 2.93Å; K92-Y119 HydrophobicContact CG-CE2 4.27Å; K92-Y119 PolarHBondContact NZ-OH 3.38Å
93L97Very high93.6Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-125.4118.2176.7179.258.1000110L71 L84 L90 L95 L109 L115 E117 L118 Y119L71-L93 HydrophobicContact CB-CD1 3.98Å; L71-L93 HydrophobicContact CD2-CD1 3.84Å; L71-L93 HydrophobicContact CG-CD1 3.96Å; L84-L93 HydrophobicContact CD1-CD1 4.46Å; L84-L93 HydrophobicContact CD1-CD2 3.71Å; L90-L93 HydrophobicContact CD2-CB 4.31Å; L93-L95 HydrophobicContact CD1-CD1 4.4Å; L93-L95 HydrophobicContact CD1-CG 4.13Å; L93-L95 HydrophobicContact CD2-CD1 3.79Å; L93-L95 HydrophobicContact CD2-CG 4.39Å; L93-L95 HydrophobicContact CG-CD1 3.95Å; L93-L95 HydrophobicContact CG-CG 4.02Å; L93-L109 HydrophobicContact CD2-CD1 3.96Å; L93-L109 HydrophobicContact CD2-CD2 3.9Å; L93-L115 HydrophobicContact CB-CD1 3.83Å; L93-E117 PolarHBondContact N-O 3.34Å; L93-L118 HydrophobicContact CB-CD1 4.05Å; L93-L118 HydrophobicContact CD2-CD1 3.94Å; L93-L118 HydrophobicContact CG-CD1 4.01Å; L93-L118 WeakPolarHBondContact O-CA 3.45Å; L93-Y119 PolarHBondContact O-N 2.87Å
94D97.5Very high93.7Very high21 Ų2129.6 Ų29.611%0.11215%0.153CC..EExtended strand (participates in β ladder)trans-108.9112.6177-172.3-12.1000110Y70 L71 N72 L73 T96 Y119Y70-D94 HydrophobicContact CE2-CB 4.22Å; L71-D94 PolarHBondContact O-N 3.31Å; N72-D94 HydrophobicContact CB-CB 4.49Å; L73-D94 CarbonylContact C-O 3.59Å; L73-D94 WeakPolarHBondContact CA-O 3.21Å; L73-D94 PolarHBondContact N-O 3.22Å; D94-T96 VanDerWaalsContact OD1-CB 3.28Å; D94-T96 WeakPolarHBondContact OD1-CB 3.46Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.3Å; D94-T96 PolarHBondContact OD1-N 3.28Å; D94-T96 PolarHBondContact OD1-OG1 3.03Å; D94-Y119 HydrophobicContact CB-CD2 4.41Å
95L96.5Very high93.8Very high0 Ų030.3 Ų30.30%016%0.158CC..  trans-118.425176.8-69.6164.6000110.7I59 L73 I78 V81 L93 V97 N98 I100 L118 Y119 L120 N123I59-L95 HydrophobicContact CD1-CD2 4.23Å; L73-L95 HydrophobicContact CB-CD2 3.81Å; L73-L95 HydrophobicContact CD1-CD2 4.02Å; I78-L95 HydrophobicContact CD1-CD2 3.76Å; V81-L95 HydrophobicContact CG2-CD1 3.79Å; L93-L95 HydrophobicContact CD1-CD1 4.4Å; L93-L95 HydrophobicContact CD1-CG 4.13Å; L93-L95 HydrophobicContact CD2-CD1 3.79Å; L93-L95 HydrophobicContact CD2-CG 4.39Å; L93-L95 HydrophobicContact CG-CD1 3.95Å; L93-L95 HydrophobicContact CG-CG 4.02Å; L95-V97 PolarHBondContact O-N 3.14Å; L95-N98 VanDerWaalsContact C-ND2 3.28Å; L95-N98 PolarHBondContact O-ND2 3.01Å; L95-I100 HydrophobicContact CB-CD1 3.9Å; L95-I100 HydrophobicContact CD1-CD1 3.82Å; L95-I100 HydrophobicContact CD2-CD1 4.33Å; L95-I100 HydrophobicContact CG-CD1 4.25Å; L95-L118 HydrophobicContact CD1-CD1 4.46Å; L95-Y119 CarbonylContact C-O 3.05Å; L95-Y119 WeakPolarHBondContact CA-O 3.49Å; L95-Y119 WeakPolarHBondContact CB-O 3.38Å; L95-Y119 PolarHBondContact N-O 3.43Å; L95-L120 HydrophobicContact CB-CD2 4.01Å; L95-L120 HydrophobicContact CD1-CD2 4.02Å; L95-N123 PolarHBondContact O-ND2 2.94Å
96T96.3Very high94.1Very high32 Ų3224.7 Ų24.720%0.19613%0.132CC..  trans-55.4138.9-179.348.40000112.5A74 L75 D94 N98 T121A74-T96 CarbonylContact C-O 3.53Å; A74-T96 VanDerWaalsContact CA-O 3.26Å; A74-T96 WeakPolarHBondContact CA-O 3.42Å; A74-T96 WeakPolarHBondContact CB-OG1 3.07Å; L75-T96 PolarHBondContact N-O 2.94Å; D94-T96 VanDerWaalsContact OD1-CB 3.28Å; D94-T96 WeakPolarHBondContact OD1-CB 3.46Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.3Å; D94-T96 PolarHBondContact OD1-N 3.28Å; D94-T96 PolarHBondContact OD1-OG1 3.03Å; T96-N98 PolarHBondContact O-N 3.09Å; T96-N98 PolarHBondContact O-ND2 2.94Å; T96-T121 CarbonylContact C-O 3.18Å; T96-T121 VanDerWaalsContact CA-O 3.31Å; T96-T121 WeakPolarHBondContact CA-O 3.41Å
97V95Very high94.4Very high58 Ų5828 Ų2835%0.35214%0.143SC..SBendtrans50.758177-164.70000112.2L75 L95 T121L75-V97 WeakPolarHBondContact CA-O 3.41Å; L75-V97 HydrophobicContact CD2-CB 3.72Å; L75-V97 HydrophobicContact CD2-CG1 3.65Å; L75-V97 HydrophobicContact CD2-CG2 4.3Å; L75-V97 HydrophobicContact CG-CB 4.33Å; L75-V97 PolarHBondContact N-O 3.25Å; L95-V97 PolarHBondContact O-N 3.14Å; V97-T121 PolarHBondContact N-O 2.61Å
98N95.7Very high94.3Very high4 Ų429 Ų292%0.02115%0.15CC..  trans-112.2-167.8168.9-84.3-79.8000109.6L73 N76 I78 L95 T96 I100 N123L73-N98 PolarHBondContact O-ND2 3.46Å; N76-N98 WeakPolarHBondContact CA-OD1 3.33Å; N76-N98 WeakPolarHBondContact CB-OD1 3.24Å; N76-N98 PolarHBondContact N-OD1 2.67Å; N76-N98 PolarHBondContact O-OD1 3.36Å; I78-N98 HydrophobicContact CB-CB 4.3Å; I78-N98 WeakPolarHBondContact CB-OD1 3.36Å; I78-N98 PolarHBondContact N-OD1 3.3Å; L95-N98 VanDerWaalsContact C-ND2 3.28Å; L95-N98 PolarHBondContact O-ND2 3.01Å; T96-N98 PolarHBondContact O-N 3.09Å; T96-N98 PolarHBondContact O-ND2 2.94Å; N98-I100 HydrophobicContact CB-CD1 4.37Å; N98-I100 HydrophobicContact CB-CG1 4.23Å; N98-N123 VanDerWaalsContact CA-OD1 3.25Å; N98-N123 WeakPolarHBondContact CA-OD1 3.5Å; N98-N123 WeakPolarHBondContact CB-OD1 3.34Å; N98-N123 PolarHBondContact N-OD1 2.97Å; N98-N123 PolarHBondContact O-OD1 3.34Å
99F94.3Very high94.4Very high19 Ų1924.4 Ų24.48%0.08313%0.129CC..  trans-114.131.5-178.6-63.5-85.8000112I78 E79 G101 N123 Y218 P220I78-F99 CarbonylContact O-C 3.49Å; I78-F99 WeakPolarHBondContact O-CA 3.46Å; I78-F99 PolarHBondContact O-N 3Å; E79-F99 WeakPolarHBondContact CA-O 3.44Å; E79-F99 HydrophobicContact CG-CB 4.33Å; F99-G101 PolarHBondContact O-N 3.31Å; F99-N123 PolarHBondContact N-OD1 3.3Å; F99-Y218 AromaticContact CE1-CD1 3.89Å; F99-Y218 HydrophobicContact CE1-CD1 3.89Å; F99-Y218 HydrophobicContact CE1-CE1 4.15Å; F99-Y218 VanDerWaalsContact CE1-O 3.31Å; F99-Y218 WeakPolarHBondContact CE1-O 3.14Å; F99-Y218 HydrophobicContact CE2-CE1 4.32Å; F99-Y218 AromaticContact CZ-CD1 3.61Å; F99-Y218 HydrophobicContact CZ-CD1 3.61Å; F99-Y218 AromaticContact CZ-CE1 3.49Å; F99-Y218 HydrophobicContact CZ-CE1 3.49Å; F99-Y218 VanDerWaalsContact CZ-CE1 3.49Å; F99-P220 HydrophobicContact CB-CG 4.14Å; F99-P220 HydrophobicContact CD1-CG 4.16Å; F99-P220 HydrophobicContact CD2-CG 3.59Å; F99-P220 HydrophobicContact CE1-CG 4.46Å; F99-P220 HydrophobicContact CE2-CG 3.91Å; F99-P220 HydrophobicContact CG-CG 3.68Å; F99-P220 HydrophobicContact CZ-CG 4.32Å
100I95Very high94.2Very high0 Ų023.4 Ų23.40%013%0.125CC..  trans-68.6103.6-177.3-57.9166.1000109.2I78 E79 V81 L95 N98 L120 N123 P124 C125I78-I100 HydrophobicContact CG2-CG1 4.21Å; I78-I100 PolarHBondContact O-N 2.97Å; I78-I100 VanDerWaalsContact O-N 3.17Å; E79-I100 WeakPolarHBondContact O-CA 3.46Å; V81-I100 HydrophobicContact CG2-CD1 3.84Å; V81-I100 HydrophobicContact CG2-CG2 4.41Å; L95-I100 HydrophobicContact CB-CD1 3.9Å; L95-I100 HydrophobicContact CD1-CD1 3.82Å; L95-I100 HydrophobicContact CD2-CD1 4.33Å; L95-I100 HydrophobicContact CG-CD1 4.25Å; N98-I100 HydrophobicContact CB-CD1 4.37Å; N98-I100 HydrophobicContact CB-CG1 4.23Å; I100-L120 HydrophobicContact CD1-CD2 3.69Å; I100-N123 HydrophobicContact CB-CB 4.13Å; I100-N123 WeakPolarHBondContact CB-OD1 3.26Å; I100-N123 VanDerWaalsContact CG1-OD1 3.31Å; I100-N123 WeakPolarHBondContact CG1-OD1 3.44Å; I100-N123 PolarHBondContact N-OD1 3.25Å; I100-P124 WeakPolarHBondContact O-CD 3.31Å; I100-C125 VanDerWaalsContact O-CB 3.3Å; I100-C125 WeakPolarHBondContact O-CB 3.42Å; I100-C125 PolarHBondContact O-N 2.8Å; I100-C125 PolarHBondContact O-SG 2.81Å
101G92.2Very high93.8Very high4 Ų427.6 Ų27.64%0.04115%0.148CC..  trans-102.3-16.8172.500000113.3E79 F99 L103 Y128E79-G101 PolarHBondContact O-N 2.75Å; F99-G101 PolarHBondContact O-N 3.31Å; G101-L103 PolarHBondContact O-N 3.21Å; G101-Y128 WeakPolarHBondContact O-CE2 3.34Å; G101-Y128 PolarHBondContact O-OH 2.9Å
102D92.9Very high93.6Very high24 Ų2423.6 Ų23.613%0.12813%0.13CC..  trans-9194.6179.8-167.7-18.9000110.2K80 F104 S105 Q173K80-D102 HydrophobicContact CD-CB 4.35Å; K80-D102 WeakPolarHBondContact CE-OD2 3.43Å; K80-D102 HydrophobicContact CG-CB 3.92Å; K80-D102 IonicContact NZ-OD2 3.61Å; K80-D102 PolarHBondContact NZ-OD2 3.18Å; D102-F104 VanDerWaalsContact C-N 3.33Å; D102-F104 PolarHBondContact OD1-N 3.1Å; D102-S105 WeakPolarHBondContact O-CB 3.49Å; D102-S105 PolarHBondContact O-N 2.89Å; D102-S105 PolarHBondContact O-OG 3.17Å; D102-S105 PolarHBondContact OD1-N 3.07Å; D102-Q173 PolarHBondContact OD1-NE2 3.43Å; D102-Q173 PolarHBondContact OD1-OE1 3.02Å
103L92.5Very high93.3Very high0 Ų027.6 Ų27.60%015%0.149CC..G310 helixtrans-73.6-27.8-177.8-177.549.2000111.8G101 S105 I106 C125 Y128 Y131 F134 V135 I169G101-L103 PolarHBondContact O-N 3.21Å; L103-S105 PolarHBondContact O-N 2.76Å; L103-I106 HydrophobicContact CD1-CD1 3.43Å; L103-I106 VanDerWaalsContact CD1-CD1 3.43Å; L103-I106 WeakPolarHBondContact O-CB 3.39Å; L103-I106 PolarHBondContact O-N 3.35Å; L103-C125 HydrophobicContact CB-CB 4.29Å; L103-C125 HydrophobicContact CD1-CB 4.42Å; L103-Y128 HydrophobicContact CB-CD2 4.2Å; L103-Y128 HydrophobicContact CB-CE2 4.23Å; L103-Y128 HydrophobicContact CD2-CD2 3.91Å; L103-Y131 HydrophobicContact CD1-CD2 3.7Å; L103-Y131 HydrophobicContact CD1-CE2 3.8Å; L103-Y131 HydrophobicContact CD2-CD2 3.84Å; L103-Y131 HydrophobicContact CG-CD2 4.47Å; L103-F134 HydrophobicContact CD1-CD1 3.86Å; L103-F134 HydrophobicContact CD1-CE1 4.23Å; L103-F134 HydrophobicContact CD2-CD1 3.89Å; L103-F134 HydrophobicContact CD2-CG 4.38Å; L103-F134 HydrophobicContact CG-CD1 3.51Å; L103-F134 HydrophobicContact CG-CE1 3.76Å; L103-F134 HydrophobicContact CG-CG 4.43Å; L103-V135 HydrophobicContact CD1-CG2 3.82Å; L103-I169 HydrophobicContact CB-CG2 3.96Å; L103-I169 HydrophobicContact CD2-CD1 3.59Å; L103-I169 HydrophobicContact CD2-CG1 4.01Å; L103-I169 HydrophobicContact CD2-CG2 3.74Å; L103-I169 HydrophobicContact CG-CG2 4.15Å
104F93.1Very high93.2Very high44 Ų4433.7 Ų33.719%0.19318%0.176CC..G310 helixtrans-66.4-23.6174.5-68-70.4000113D102 I106 E107 F134 R166 I169 K170D102-F104 VanDerWaalsContact C-N 3.33Å; D102-F104 PolarHBondContact OD1-N 3.1Å; F104-I106 PolarHBondContact O-N 2.96Å; F104-I106 VanDerWaalsContact O-N 3.09Å; F104-E107 VanDerWaalsContact O-CB 3.3Å; F104-E107 WeakPolarHBondContact O-CB 3.3Å; F104-E107 WeakPolarHBondContact O-CG 3.33Å; F104-E107 PolarHBondContact O-N 3.2Å; F104-F134 HydrophobicContact CD1-CE2 4.29Å; F104-F134 AromaticContact CD1-CZ 3.65Å; F104-F134 HydrophobicContact CD1-CZ 3.65Å; F104-F134 AromaticContact CE1-CE2 3.85Å; F104-F134 HydrophobicContact CE1-CE2 3.85Å; F104-F134 AromaticContact CE1-CZ 3.69Å; F104-F134 HydrophobicContact CE1-CZ 3.69Å; F104-R166 HydrophobicContact CE1-CG 3.93Å; F104-R166 HydrophobicContact CZ-CG 4.04Å; F104-I169 HydrophobicContact CE2-CG2 4.11Å; F104-I169 HydrophobicContact CZ-CG2 4.21Å; F104-K170 HydrophobicContact CE2-CB 4.03Å; F104-K170 HydrophobicContact CE2-CG 4.36Å; F104-K170 HydrophobicContact CZ-CB 4.18Å
105S92.3Very high93.1Very high16 Ų1632.7 Ų32.711%0.11217%0.171CC..G310 helixtrans-58.5-23.9176.274.20000113.3V81 D102 L103 E107 S108V81-S105 PolarHBondContact N-OG 2.93Å; V81-S105 WeakPolarHBondContact O-CB 3.42Å; V81-S105 VanDerWaalsContact O-O 3.11Å; D102-S105 WeakPolarHBondContact O-CB 3.49Å; D102-S105 PolarHBondContact O-N 2.89Å; D102-S105 PolarHBondContact O-OG 3.17Å; D102-S105 PolarHBondContact OD1-N 3.07Å; L103-S105 PolarHBondContact O-N 2.76Å; S105-E107 PolarHBondContact O-N 2.89Å; S105-S108 WeakPolarHBondContact O-CB 3.42Å; S105-S108 PolarHBondContact O-N 3.15Å; S105-S108 PolarHBondContact O-OG 3.19Å
106I93.3Very high93.1Very high0 Ų036 Ų360%019%0.186CC..G310 helixtrans-68.4-20.4176-72.2152.6000112.7V81 L103 F104 S108 L109 L120 V135 L139V81-I106 HydrophobicContact CG2-CG1 4.19Å; L103-I106 HydrophobicContact CD1-CD1 3.43Å; L103-I106 VanDerWaalsContact CD1-CD1 3.43Å; L103-I106 WeakPolarHBondContact O-CB 3.39Å; L103-I106 PolarHBondContact O-N 3.35Å; F104-I106 PolarHBondContact O-N 2.96Å; F104-I106 VanDerWaalsContact O-N 3.09Å; I106-S108 PolarHBondContact O-N 2.74Å; I106-S108 VanDerWaalsContact O-N 3.14Å; I106-L109 HydrophobicContact CG2-CD1 4.29Å; I106-L109 VanDerWaalsContact O-CB 3.31Å; I106-L109 WeakPolarHBondContact O-CB 3.34Å; I106-L109 PolarHBondContact O-N 2.78Å; I106-L120 HydrophobicContact CD1-CD1 3.57Å; I106-L120 HydrophobicContact CD1-CD2 4.49Å; I106-L120 HydrophobicContact CG1-CD1 4.4Å; I106-V135 HydrophobicContact CD1-CG2 4.32Å; I106-V135 HydrophobicContact CG2-CG1 4.5Å; I106-L139 HydrophobicContact CG2-CD1 3.61Å; I106-L139 HydrophobicContact CG2-CD2 4.4Å; I106-L139 HydrophobicContact CG2-CG 3.98Å
107E92.2Very high93.2Very high85 Ų8537.2 Ų37.240%0.39719%0.19SC..G310 helixtrans-56.8-29.4172.5-66.9179.7175.400111.6F104 S105 L109 G110 T138 R166F104-E107 VanDerWaalsContact O-CB 3.3Å; F104-E107 WeakPolarHBondContact O-CB 3.3Å; F104-E107 WeakPolarHBondContact O-CG 3.33Å; F104-E107 PolarHBondContact O-N 3.2Å; S105-E107 PolarHBondContact O-N 2.89Å; E107-L109 PolarHBondContact O-N 3.23Å; E107-G110 PolarHBondContact O-N 3.17Å; E107-T138 HydrophobicContact CB-CG2 4.18Å; E107-T138 HydrophobicContact CG-CG2 3.63Å; E107-R166 IonicContact OE1-NH2 2.76Å; E107-R166 PolarHBondContact OE1-NH2 2.97Å
108S90.7Very high93.3Very high23 Ų2334.4 Ų34.416%0.16117%0.173CC..G310 helixtrans-62.6-2917569.40000113.4V81 S105 I106 G110 N111V81-S108 PolarHBondContact O-OG 3.3Å; S105-S108 WeakPolarHBondContact O-CB 3.42Å; S105-S108 PolarHBondContact O-N 3.15Å; S105-S108 PolarHBondContact O-OG 3.19Å; I106-S108 PolarHBondContact O-N 2.74Å; I106-S108 VanDerWaalsContact O-N 3.14Å; S108-G110 PolarHBondContact O-N 3.01Å; S108-N111 PolarHBondContact O-N 3.48Å
109L91.8Very high93.4Very high0 Ų036.2 Ų36.20%018%0.18CC..G310 helixtrans-70.5-14.3175.2-60.9-179.8000112.1V81 L84 L93 I106 E107 N111 V112 L115 L118 L139 Q141V81-L109 HydrophobicContact CG1-CD1 4.02Å; V81-L109 HydrophobicContact CG1-CD2 3.73Å; V81-L109 HydrophobicContact CG1-CG 3.79Å; L84-L109 HydrophobicContact CB-CD2 4.09Å; L84-L109 HydrophobicContact CD1-CD2 3.58Å; L84-L109 HydrophobicContact CG-CD2 4.5Å; L93-L109 HydrophobicContact CD2-CD1 3.96Å; L93-L109 HydrophobicContact CD2-CD2 3.9Å; I106-L109 HydrophobicContact CG2-CD1 4.29Å; I106-L109 VanDerWaalsContact O-CB 3.31Å; I106-L109 WeakPolarHBondContact O-CB 3.34Å; I106-L109 PolarHBondContact O-N 2.78Å; E107-L109 PolarHBondContact O-N 3.23Å; L109-N111 PolarHBondContact O-N 3.44Å; L109-V112 WeakPolarHBondContact O-CB 3.1Å; L109-V112 PolarHBondContact O-N 3.18Å; L109-L115 HydrophobicContact CB-CD2 4.08Å; L109-L115 HydrophobicContact CD1-CD2 3.99Å; L109-L115 HydrophobicContact CD2-CD2 4.48Å; L109-L115 HydrophobicContact CG-CD2 4.43Å; L109-L118 HydrophobicContact CD1-CD1 4.21Å; L109-L118 HydrophobicContact CD1-CD2 4.16Å; L109-L139 HydrophobicContact CB-CD1 4.11Å; L109-L139 HydrophobicContact CB-CD2 3.84Å; L109-L139 HydrophobicContact CD1-CD1 4.27Å; L109-Q141 PolarHBondContact O-NE2 3.29Å
110G89.8Confident93.4Very high22 Ų2235.3 Ų35.323%0.22718%0.176CC..G310 helixtrans-57.9-28.8173.200000113E107 S108 V112E107-G110 PolarHBondContact O-N 3.17Å; S108-G110 PolarHBondContact O-N 3.01Å; G110-V112 VanDerWaalsContact C-N 3.27Å; G110-V112 PolarHBondContact O-N 3.46Å
111N88.4Confident93.4Very high88 Ų8838.7 Ų38.747%0.47120%0.197SC..G310 helixtrans-73.5-18.3175.9-63.2-31.7000112.8E85 S108 L109 H113E85-N111 HydrophobicContact CG-CB 4.42Å; S108-N111 PolarHBondContact O-N 3.48Å; L109-N111 PolarHBondContact O-N 3.44Å; N111-H113 PolarHBondContact O-N 2.72Å
112V91.8Very high93.5Very high0 Ų040.6 Ų40.60%022%0.216CC..  trans-90.584.4178.6-1730000109L84 L90 L109 G110 F114 L115 Q141L84-V112 WeakPolarHBondContact O-CG2 3.17Å; L90-V112 HydrophobicContact CB-CG1 3.86Å; L109-V112 WeakPolarHBondContact O-CB 3.1Å; L109-V112 PolarHBondContact O-N 3.18Å; G110-V112 VanDerWaalsContact C-N 3.27Å; G110-V112 PolarHBondContact O-N 3.46Å; V112-F114 VanDerWaalsContact C-N 3.26Å; V112-F114 PolarHBondContact O-N 3.46Å; V112-L115 HydrophobicContact CB-CB 4.33Å; V112-L115 HydrophobicContact CG1-CB 3.95Å; V112-L115 WeakPolarHBondContact O-CB 3.31Å; V112-L115 PolarHBondContact O-N 3.43Å; V112-Q141 PolarHBondContact O-NE2 3.13Å
113H90.6Very high93.7Very high139 Ų13939.6 Ų39.664%0.64421%0.211SC*.THydrogen-bonded Turntrans-65.1-23.7-170.6-60.6-50.2000115.1N111 Q141N111-H113 PolarHBondContact O-N 2.72Å; H113-Q141 WeakPolarHBondContact O-CB 3.36Å
114F94.4Very high93.7Very high129 Ų12940.7 Ų40.757%0.56622%0.218SC*.THydrogen-bonded Turntrans-945.1-178.4-66.2-81.3000113.8E88 L90 K91 V112 E116E88-F114 WeakPolarHBondContact O-CD2 3.4Å; L90-F114 CarbonylContact O-C 3.43Å; K91-F114 WeakPolarHBondContact CA-O 3.47Å; V112-F114 VanDerWaalsContact C-N 3.26Å; V112-F114 PolarHBondContact O-N 3.46Å; F114-E116 WeakPolarHBondContact O-CG 3.25Å; F114-E116 PolarHBondContact O-N 2.83Å
115L96.3Very high93.7Very high0 Ų038.6 Ų38.60%021%0.209CC..  trans-71.2113.8-179.4-173.169.8000110.9L90 L93 L109 V112 Q141 L142L90-L115 HydrophobicContact CD2-CD1 4.32Å; L90-L115 HydrophobicContact CG-CD1 4.29Å; L90-L115 WeakPolarHBondContact O-CA 3.26Å; L90-L115 PolarHBondContact O-N 2.93Å; L90-L115 VanDerWaalsContact O-N 3.13Å; L93-L115 HydrophobicContact CB-CD1 3.83Å; L109-L115 HydrophobicContact CB-CD2 4.08Å; L109-L115 HydrophobicContact CD1-CD2 3.99Å; L109-L115 HydrophobicContact CD2-CD2 4.48Å; L109-L115 HydrophobicContact CG-CD2 4.43Å; V112-L115 HydrophobicContact CB-CB 4.33Å; V112-L115 HydrophobicContact CG1-CB 3.95Å; V112-L115 WeakPolarHBondContact O-CB 3.31Å; V112-L115 PolarHBondContact O-N 3.43Å; L115-Q141 HydrophobicContact CB-CG 4.27Å; L115-Q141 CarbonylContact O-C 3.55Å; L115-Q141 WeakPolarHBondContact O-CG 3.33Å; L115-L142 HydrophobicContact CG-CD1 4.38Å
116E96.5Very high93.8Very high69 Ų6940.1 Ų40.132%0.32222%0.217SC..  trans-108.9-34.5-176.9-55.8-166.3165.600112.7K91 F114 L142 K143 L144K91-E116 PolarHBondContact O-N 2.96Å; F114-E116 WeakPolarHBondContact O-CG 3.25Å; F114-E116 PolarHBondContact O-N 2.83Å; E116-L142 WeakPolarHBondContact O-CD1 3.04Å; E116-K143 HydrophobicContact CB-CB 4.45Å; E116-K143 HydrophobicContact CB-CD 4.21Å; E116-K143 HydrophobicContact CB-CG 4.29Å; E116-K143 VanDerWaalsContact CD-CE 3.47Å; E116-K143 HydrophobicContact CG-CD 4.28Å; E116-K143 PolarHBondContact O-N 3.35Å; E116-K143 WeakPolarHBondContact OE1-CE 3.36Å; E116-K143 IonicContact OE1-NZ 2.76Å; E116-K143 PolarHBondContact OE1-NZ 3.19Å; E116-K143 WeakPolarHBondContact OE2-CE 3.41Å; E116-K143 IonicContact OE2-NZ 3.77Å; E116-K143 PolarHBondContact OE2-NZ 2.96Å; E116-L144 PolarHBondContact O-N 3.45Å
117E97.6Very high93.8Very high57 Ų5748.1 Ų48.127%0.26626%0.255SS..EExtended strand (participates in β ladder)trans-121.3126.6-177-65.6-173.1-142.100111.4K91 K92 L93 Y119 L144K91-E117 PolarHBondContact O-N 3.17Å; K92-E117 WeakPolarHBondContact CA-O 3.43Å; K92-E117 HydrophobicContact CB-CB 4.11Å; K92-E117 WeakPolarHBondContact CD-OE2 3.37Å; K92-E117 WeakPolarHBondContact CE-OE2 3.4Å; K92-E117 HydrophobicContact CG-CB 3.86Å; K92-E117 IonicContact NZ-OE2 2.94Å; K92-E117 PolarHBondContact NZ-OE2 2.93Å; L93-E117 PolarHBondContact N-O 3.34Å; E117-Y119 HydrophobicContact CB-CE2 4.05Å; E117-Y119 WeakPolarHBondContact OE2-CE2 3.33Å; E117-Y119 PolarHBondContact OE2-OH 2.89Å; E117-L144 WeakPolarHBondContact CA-O 3.41Å; E117-L144 HydrophobicContact CB-CD2 4.4Å; E117-L144 HydrophobicContact CG-CB 4.19Å; E117-L144 HydrophobicContact CG-CD2 4.31Å
118L97.3Very high93.9Very high0 Ų044.8 Ų44.80%024%0.239CC..EExtended strand (participates in β ladder)trans-132127.9177.1179.960.9000110.2L93 L95 L109 L120 V135 L139 L142 L144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.05Å; L93-L118 HydrophobicContact CD2-CD1 3.94Å; L93-L118 HydrophobicContact CG-CD1 4.01Å; L93-L118 WeakPolarHBondContact O-CA 3.45Å; L95-L118 HydrophobicContact CD1-CD1 4.46Å; L109-L118 HydrophobicContact CD1-CD1 4.21Å; L109-L118 HydrophobicContact CD1-CD2 4.16Å; L118-L120 HydrophobicContact CD1-CD1 4.42Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 3.69Å; L118-L120 HydrophobicContact CD2-CG 4.31Å; L118-L120 HydrophobicContact CG-CD1 3.95Å; L118-L120 HydrophobicContact CG-CG 4.02Å; L118-V135 HydrophobicContact CD2-CG1 4.09Å; L118-L139 HydrophobicContact CD2-CD1 3.88Å; L118-L142 HydrophobicContact CB-CD1 3.54Å; L118-L142 HydrophobicContact CB-CD2 4.03Å; L118-L142 HydrophobicContact CB-CG 4.44Å; L118-L142 HydrophobicContact CD2-CD2 4.34Å; L118-L144 PolarHBondContact N-O 2.87Å; L118-L145 HydrophobicContact CB-CD1 4.31Å; L118-L145 HydrophobicContact CD2-CD1 4.32Å; L118-L145 HydrophobicContact CG-CD1 4.29Å; L118-L145 WeakPolarHBondContact O-CA 3.36Å; L118-D146 PolarHBondContact O-N 3.27Å
119Y97.4Very high94.1Very high42 Ų4247 Ų4717%0.16525%0.252CS..EExtended strand (participates in β ladder)trans-117.6118.9174.9-56.6-98.9000109.5K92 L93 D94 L95 E117 L144K92-Y119 HydrophobicContact CG-CE2 4.27Å; K92-Y119 PolarHBondContact NZ-OH 3.38Å; L93-Y119 PolarHBondContact O-N 2.87Å; D94-Y119 HydrophobicContact CB-CD2 4.41Å; L95-Y119 CarbonylContact C-O 3.05Å; L95-Y119 WeakPolarHBondContact CA-O 3.49Å; L95-Y119 WeakPolarHBondContact CB-O 3.38Å; L95-Y119 PolarHBondContact N-O 3.43Å; E117-Y119 HydrophobicContact CB-CE2 4.05Å; E117-Y119 WeakPolarHBondContact OE2-CE2 3.33Å; E117-Y119 PolarHBondContact OE2-OH 2.89Å; Y119-L144 HydrophobicContact CE1-CD2 3.94Å; Y119-L144 HydrophobicContact CE2-CD2 4.21Å; Y119-L144 WeakPolarHBondContact OH-CD2 3.23Å
120L96.1Very high94.2Very high0 Ų048 Ų480%026%0.262CS..  trans-1245.2179.6-75.3167.6000111.5L95 I100 I106 L118 G122 N123 T126 Y131 V135 D146L95-L120 HydrophobicContact CB-CD2 4.01Å; L95-L120 HydrophobicContact CD1-CD2 4.02Å; I100-L120 HydrophobicContact CD1-CD2 3.69Å; I106-L120 HydrophobicContact CD1-CD1 3.57Å; I106-L120 HydrophobicContact CD1-CD2 4.49Å; I106-L120 HydrophobicContact CG1-CD1 4.4Å; L118-L120 HydrophobicContact CD1-CD1 4.42Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 3.69Å; L118-L120 HydrophobicContact CD2-CG 4.31Å; L118-L120 HydrophobicContact CG-CD1 3.95Å; L118-L120 HydrophobicContact CG-CG 4.02Å; L120-G122 PolarHBondContact O-N 3.49Å; L120-N123 VanDerWaalsContact O-CB 3.31Å; L120-N123 WeakPolarHBondContact O-CB 3.42Å; L120-N123 PolarHBondContact O-N 2.8Å; L120-N123 VanDerWaalsContact O-N 3.13Å; L120-N123 PolarHBondContact O-ND2 3.03Å; L120-T126 HydrophobicContact CB-CG2 4.41Å; L120-T126 WeakPolarHBondContact O-CG2 3.33Å; L120-Y131 WeakPolarHBondContact CB-OH 3.38Å; L120-Y131 HydrophobicContact CD1-CE2 4.07Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.49Å; L120-V135 HydrophobicContact CD1-CG2 4.49Å; L120-D146 WeakPolarHBondContact CA-OD1 3.47Å; L120-D146 PolarHBondContact N-OD1 3.5Å
121T95.2Very high94.4Very high71 Ų7147.6 Ų47.644%0.43625%0.254SS..THydrogen-bonded Turntrans-50.9131.3178.3-56.80000111.6T96 V97 D146T96-T121 CarbonylContact C-O 3.18Å; T96-T121 VanDerWaalsContact CA-O 3.31Å; T96-T121 WeakPolarHBondContact CA-O 3.41Å; V97-T121 PolarHBondContact N-O 2.61Å; T121-D146 PolarHBondContact N-OD1 3.43Å; T121-D146 WeakPolarHBondContact OG1-CB 3.46Å; T121-D146 PolarHBondContact OG1-OD1 3.35Å
122G93.9Very high94.7Very high44 Ų4445.9 Ų45.945%0.45424%0.241SC..THydrogen-bonded Turntrans82.910.2-179.700000115L120L120-G122 PolarHBondContact O-N 3.49Å
123N96Very high94.9Very high2 Ų249 Ų491%0.01126%0.256CS..SBendtrans-92.4149.9169.6-74.4-85.3000111.8L95 N98 F99 I100 L120 C125 T126L95-N123 PolarHBondContact O-ND2 2.94Å; N98-N123 VanDerWaalsContact CA-OD1 3.25Å; N98-N123 WeakPolarHBondContact CA-OD1 3.5Å; N98-N123 WeakPolarHBondContact CB-OD1 3.34Å; N98-N123 PolarHBondContact N-OD1 2.97Å; N98-N123 PolarHBondContact O-OD1 3.34Å; F99-N123 PolarHBondContact N-OD1 3.3Å; I100-N123 HydrophobicContact CB-CB 4.13Å; I100-N123 WeakPolarHBondContact CB-OD1 3.26Å; I100-N123 VanDerWaalsContact CG1-OD1 3.31Å; I100-N123 WeakPolarHBondContact CG1-OD1 3.44Å; I100-N123 PolarHBondContact N-OD1 3.25Å; L120-N123 VanDerWaalsContact O-CB 3.31Å; L120-N123 WeakPolarHBondContact O-CB 3.42Å; L120-N123 PolarHBondContact O-N 2.8Å; L120-N123 VanDerWaalsContact O-N 3.13Å; L120-N123 PolarHBondContact O-ND2 3.03Å; N123-C125 PolarHBondContact O-N 2.71Å; N123-C125 VanDerWaalsContact O-N 3.13Å; N123-T126 HydrophobicContact CB-CG2 4.43Å; N123-T126 WeakPolarHBondContact O-CB 3.42Å; N123-T126 PolarHBondContact O-N 2.92Å; N123-T126 PolarHBondContact O-OG1 2.99Å
124P93.4Very high95.2Very high24 Ų2442.5 Ų42.516%0.15623%0.226CC..G310 helixtrans-53.2-33.4174.6-26.433.4000114.3I100 T126 E127 H176I100-P124 WeakPolarHBondContact O-CD 3.31Å; P124-T126 PolarHBondContact O-N 2.96Å; P124-E127 PolarHBondContact O-N 2.67Å; P124-H176 WeakPolarHBondContact CB-NE2 3.34Å
125C93.2Very high95.2Very high0 Ų036.4 Ų36.40%020%0.199CC..G310 helixtrans-62.5-23177.964.10000114.1I100 L103 N123 E127 Y128 Y131I100-C125 VanDerWaalsContact O-CB 3.3Å; I100-C125 WeakPolarHBondContact O-CB 3.42Å; I100-C125 PolarHBondContact O-N 2.8Å; I100-C125 PolarHBondContact O-SG 2.81Å; L103-C125 HydrophobicContact CB-CB 4.29Å; L103-C125 HydrophobicContact CD1-CB 4.42Å; N123-C125 PolarHBondContact O-N 2.71Å; N123-C125 VanDerWaalsContact O-N 3.13Å; C125-E127 PolarHBondContact O-N 3.23Å; C125-Y128 HydrophobicContact CB-CD2 4.26Å; C125-Y128 HydrophobicContact CB-CE2 4.11Å; C125-Y128 WeakPolarHBondContact O-CB 3.4Å; C125-Y128 PolarHBondContact O-N 3.28Å; C125-Y131 HydrophobicContact CB-CD2 4.44Å; C125-Y131 WeakPolarHBondContact O-CB 3.09Å; C125-Y131 VanDerWaalsContact O-CD2 3.26Å; C125-Y131 WeakPolarHBondContact O-CD2 3.47Å
126T94Very high95.2Very high47 Ų4736.4 Ų36.429%0.28820%0.199SC..G310 helixtrans-71.1-19.617964.10000113.2L120 N123 P124 Y128 Y131L120-T126 HydrophobicContact CB-CG2 4.41Å; L120-T126 WeakPolarHBondContact O-CG2 3.33Å; N123-T126 HydrophobicContact CB-CG2 4.43Å; N123-T126 WeakPolarHBondContact O-CB 3.42Å; N123-T126 PolarHBondContact O-N 2.92Å; N123-T126 PolarHBondContact O-OG1 2.99Å; P124-T126 PolarHBondContact O-N 2.96Å; T126-Y128 VanDerWaalsContact C-N 3.28Å; T126-Y131 HydrophobicContact CG2-CD1 4.45Å; T126-Y131 HydrophobicContact CG2-CE1 4Å
127E93.3Very high95.1Very high168 Ų16833.8 Ų33.879%0.78519%0.189SC*.G310 helixtrans-80.9-9.3176.4-59.8-179178.500112.4P124 C125P124-E127 PolarHBondContact O-N 2.67Å; C125-E127 PolarHBondContact O-N 3.23Å
128Y94.8Very high94.9Very high16 Ų1632.5 Ų32.56%0.06319%0.185CC..SBendtrans-73.9133.4-177.4-60.6-12.1000111.1G101 L103 C125 T126 G130 Y131 I169 K172 Q173 H176G101-Y128 WeakPolarHBondContact O-CE2 3.34Å; G101-Y128 PolarHBondContact O-OH 2.9Å; L103-Y128 HydrophobicContact CB-CD2 4.2Å; L103-Y128 HydrophobicContact CB-CE2 4.23Å; L103-Y128 HydrophobicContact CD2-CD2 3.91Å; C125-Y128 HydrophobicContact CB-CD2 4.26Å; C125-Y128 HydrophobicContact CB-CE2 4.11Å; C125-Y128 WeakPolarHBondContact O-CB 3.4Å; C125-Y128 PolarHBondContact O-N 3.28Å; T126-Y128 VanDerWaalsContact C-N 3.28Å; Y128-G130 PolarHBondContact O-N 3.17Å; Y128-Y131 WeakPolarHBondContact O-CB 3.39Å; Y128-Y131 PolarHBondContact O-N 2.97Å; Y128-I169 HydrophobicContact CD2-CG2 4.33Å; Y128-K172 HydrophobicContact CD1-CB 3.76Å; Y128-K172 HydrophobicContact CD1-CG 4.44Å; Y128-K172 HydrophobicContact CE1-CB 3.98Å; Y128-K172 HydrophobicContact CG-CB 4.07Å; Y128-Q173 HydrophobicContact CE2-CB 4.38Å; Y128-H176 VanDerWaalsContact OH-CB 3.31Å; Y128-H176 WeakPolarHBondContact OH-CB 3.27Å
129P93.9Very high94.8Very high69 Ų6932.6 Ų32.645%0.44819%0.185SC..THydrogen-bonded Turntrans-61.1125.7175.7-21.232.3000111Y131 I168P129-Y131 VanDerWaalsContact C-N 3.34Å; P129-I168 HydrophobicContact CB-CG2 4.25Å; P129-I168 HydrophobicContact CG-CG2 4.32Å
130G93.5Very high94.6Very high20 Ų2034.3 Ų34.321%0.20620%0.202CC..THydrogen-bonded Turntrans80.612.3-178.200000114.6Y128 R132 E133 F134Y128-G130 PolarHBondContact O-N 3.17Å; G130-R132 VanDerWaalsContact C-N 3.31Å; G130-R132 PolarHBondContact O-N 2.8Å; G130-E133 VanDerWaalsContact C-OE2 3.31Å; G130-E133 WeakPolarHBondContact CA-OE2 3.2Å; G130-E133 PolarHBondContact O-N 3.42Å; G130-F134 WeakPolarHBondContact O-CB 3.21Å; G130-F134 PolarHBondContact O-N 3.02Å
131Y95.3Very high94.5Very high15 Ų1536 Ų366%0.05921%0.21CC..Hα-helixtrans-50.2-50.8178.5155.8-102.2000112.2L103 L120 C125 T126 Y128 P129 E133 F134 V135 D146L103-Y131 HydrophobicContact CD1-CD2 3.7Å; L103-Y131 HydrophobicContact CD1-CE2 3.8Å; L103-Y131 HydrophobicContact CD2-CD2 3.84Å; L103-Y131 HydrophobicContact CG-CD2 4.47Å; L120-Y131 WeakPolarHBondContact CB-OH 3.38Å; L120-Y131 HydrophobicContact CD1-CE2 4.07Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.49Å; C125-Y131 HydrophobicContact CB-CD2 4.44Å; C125-Y131 WeakPolarHBondContact O-CB 3.09Å; C125-Y131 VanDerWaalsContact O-CD2 3.26Å; C125-Y131 WeakPolarHBondContact O-CD2 3.47Å; T126-Y131 HydrophobicContact CG2-CD1 4.45Å; T126-Y131 HydrophobicContact CG2-CE1 4Å; Y128-Y131 WeakPolarHBondContact O-CB 3.39Å; Y128-Y131 PolarHBondContact O-N 2.97Å; P129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-E133 PolarHBondContact O-N 3.32Å; Y131-F134 PolarHBondContact O-N 3.02Å; Y131-V135 HydrophobicContact CD2-CG2 3.98Å; Y131-V135 HydrophobicContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.44Å; Y131-V135 WeakPolarHBondContact O-CG2 3.46Å; Y131-V135 PolarHBondContact O-N 3.33Å; Y131-D146 PolarHBondContact OH-OD2 2.9Å
132R95.3Very high94.6Very high51 Ų5132.6 Ų32.619%0.19219%0.189CC..Hα-helixtrans-63-47.3-174.9-178.6166.2-178.488.57.3111G130 F134 V135 I136 L145 V148 E154G130-R132 VanDerWaalsContact C-N 3.31Å; G130-R132 PolarHBondContact O-N 2.8Å; R132-F134 VanDerWaalsContact C-N 3.33Å; R132-F134 PolarHBondContact O-N 3.1Å; R132-V135 PolarHBondContact O-N 2.97Å; R132-I136 HydrophobicContact CG-CD1 3.73Å; R132-I136 WeakPolarHBondContact O-CB 3.13Å; R132-I136 WeakPolarHBondContact O-CG1 3.25Å; R132-I136 PolarHBondContact O-N 3.01Å; R132-L145 HydrophobicContact CG-CD2 3.98Å; R132-L145 PolarHBondContact NH1-O 3.29Å; R132-V148 PolarHBondContact NH2-O 3.02Å; R132-E154 IonicContact CZ-OE1 3.87Å; R132-E154 IonicContact NE-OE1 3.05Å; R132-E154 PolarHBondContact NE-OE1 2.9Å; R132-E154 IonicContact NH2-OE1 2.73Å; R132-E154 PolarHBondContact NH2-OE1 2.84Å; R132-E154 IonicContact NH2-OE2 3.05Å
133E95.4Very high94.7Very high66 Ų6636 Ų3631%0.30819%0.191SC..Hα-helixtrans-60.6-42.3176.6-66.482.5172.900111.4G130 Y131 I136 A137 A158 I165G130-E133 VanDerWaalsContact C-OE2 3.31Å; G130-E133 WeakPolarHBondContact CA-OE2 3.2Å; G130-E133 PolarHBondContact O-N 3.42Å; Y131-E133 PolarHBondContact O-N 3.32Å; E133-I136 PolarHBondContact O-N 3.31Å; E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.46Å; E133-A137 PolarHBondContact O-N 3.06Å; E133-A158 HydrophobicContact CB-CB 4.09Å; E133-A158 WeakPolarHBondContact O-CB 3.35Å; E133-I165 HydrophobicContact CB-CD1 3.65Å; E133-I165 HydrophobicContact CG-CD1 4.15Å
134F95.6Very high94.8Very high3 Ų337.3 Ų37.31%0.01320%0.198CC..Hα-helixtrans-62.5-46.5178.1-180-91.9000112L103 F104 G130 Y131 R132 I136 A137 T138 I165 I169L103-F134 HydrophobicContact CD1-CD1 3.86Å; L103-F134 HydrophobicContact CD1-CE1 4.23Å; L103-F134 HydrophobicContact CD2-CD1 3.89Å; L103-F134 HydrophobicContact CD2-CG 4.38Å; L103-F134 HydrophobicContact CG-CD1 3.51Å; L103-F134 HydrophobicContact CG-CE1 3.76Å; L103-F134 HydrophobicContact CG-CG 4.43Å; F104-F134 HydrophobicContact CD1-CE2 4.29Å; F104-F134 AromaticContact CD1-CZ 3.65Å; F104-F134 HydrophobicContact CD1-CZ 3.65Å; F104-F134 AromaticContact CE1-CE2 3.85Å; F104-F134 HydrophobicContact CE1-CE2 3.85Å; F104-F134 AromaticContact CE1-CZ 3.69Å; F104-F134 HydrophobicContact CE1-CZ 3.69Å; G130-F134 WeakPolarHBondContact O-CB 3.21Å; G130-F134 PolarHBondContact O-N 3.02Å; Y131-F134 PolarHBondContact O-N 3.02Å; R132-F134 VanDerWaalsContact C-N 3.33Å; R132-F134 PolarHBondContact O-N 3.1Å; F134-I136 PolarHBondContact O-N 3.5Å; F134-A137 PolarHBondContact O-N 3.25Å; F134-T138 VanDerWaalsContact O-CB 3.28Å; F134-T138 WeakPolarHBondContact O-CB 3.22Å; F134-T138 PolarHBondContact O-N 3.02Å; F134-T138 PolarHBondContact O-OG1 2.98Å; F134-I165 HydrophobicContact CB-CG2 4.33Å; F134-I169 HydrophobicContact CB-CD1 3.32Å; F134-I169 HydrophobicContact CD1-CD1 4.1Å; F134-I169 HydrophobicContact CD2-CD1 3.59Å; F134-I169 HydrophobicContact CE2-CD1 4.44Å; F134-I169 HydrophobicContact CG-CD1 3.38Å
135V95.9Very high94.9Very high0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-62.1-45.6178.2176.10000111L103 I106 L118 L120 Y131 R132 A137 T138 L139 L142 L145L103-V135 HydrophobicContact CD1-CG2 3.82Å; I106-V135 HydrophobicContact CD1-CG2 4.32Å; I106-V135 HydrophobicContact CG2-CG1 4.5Å; L118-V135 HydrophobicContact CD2-CG1 4.09Å; L120-V135 HydrophobicContact CD1-CG2 4.49Å; Y131-V135 HydrophobicContact CD2-CG2 3.98Å; Y131-V135 HydrophobicContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.44Å; Y131-V135 WeakPolarHBondContact O-CG2 3.46Å; Y131-V135 PolarHBondContact O-N 3.33Å; R132-V135 PolarHBondContact O-N 2.97Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.46Å; V135-T138 PolarHBondContact O-N 3.41Å; V135-L139 HydrophobicContact CG1-CD1 4.24Å; V135-L139 WeakPolarHBondContact O-CB 3.48Å; V135-L139 PolarHBondContact O-N 2.96Å; V135-L142 HydrophobicContact CG1-CD2 4.08Å; V135-L145 HydrophobicContact CB-CD2 3.98Å; V135-L145 HydrophobicContact CG1-CD1 3.93Å; V135-L145 HydrophobicContact CG1-CD2 3.87Å
136I96Very high95Very high1 Ų137.9 Ų37.91%0.00520%0.2CC..Hα-helixtrans-63.9-39.4179.6-67.8170.2000111.8R132 E133 F134 L145 I150 E154 R155 A158R132-I136 HydrophobicContact CG-CD1 3.73Å; R132-I136 WeakPolarHBondContact O-CB 3.13Å; R132-I136 WeakPolarHBondContact O-CG1 3.25Å; R132-I136 PolarHBondContact O-N 3.01Å; E133-I136 PolarHBondContact O-N 3.31Å; F134-I136 PolarHBondContact O-N 3.5Å; I136-L145 HydrophobicContact CD1-CD2 4.44Å; I136-L145 HydrophobicContact CG1-CD2 4.04Å; I136-I150 HydrophobicContact CD1-CG1 4.09Å; I136-I150 HydrophobicContact CD1-CG2 4.14Å; I136-I150 HydrophobicContact CG1-CD1 3.93Å; I136-I150 HydrophobicContact CG1-CG1 4.05Å; I136-I150 HydrophobicContact CG1-CG2 4.22Å; I136-I150 HydrophobicContact CG2-CG2 3.8Å; I136-E154 VanDerWaalsContact CD1-CD 3.4Å; I136-E154 HydrophobicContact CD1-CG 3.7Å; I136-E154 WeakPolarHBondContact CD1-OE1 3.31Å; I136-R155 HydrophobicContact CG2-CB 4.08Å; I136-R155 HydrophobicContact CG2-CG 4.22Å; I136-A158 HydrophobicContact CB-CB 4.08Å; I136-A158 HydrophobicContact CG2-CB 3.87Å
137A94.7Very high95Very high14 Ų1437.9 Ų37.912%0.11621%0.209CC..Hα-helixtrans-69.3-35.6177.300000112.2E133 F134 V135 A158 L159 L162E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.46Å; E133-A137 PolarHBondContact O-N 3.06Å; F134-A137 PolarHBondContact O-N 3.25Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.46Å; A137-A158 HydrophobicContact CB-CB 4.15Å; A137-L159 HydrophobicContact CB-CD2 4.11Å; A137-L162 HydrophobicContact CB-CD1 4.13Å; A137-L162 HydrophobicContact CB-CG 4.35Å
138T93.8Very high95.2Very high30 Ų3033.8 Ų33.818%0.18420%0.196CC..Hα-helixtrans-77.5-36.7-177.6-57.30000112.2E107 F134 V135 P140E107-T138 HydrophobicContact CB-CG2 4.18Å; E107-T138 HydrophobicContact CG-CG2 3.63Å; F134-T138 VanDerWaalsContact O-CB 3.28Å; F134-T138 WeakPolarHBondContact O-CB 3.22Å; F134-T138 PolarHBondContact O-N 3.02Å; F134-T138 PolarHBondContact O-OG1 2.98Å; V135-T138 PolarHBondContact O-N 3.41Å; T138-P140 WeakPolarHBondContact O-CD 3.17Å
139L95.1Very high95.3Very high1 Ų140.3 Ų40.31%0.00523%0.227CC..  trans-113.985.5-175.1-59.9-175.7000111.8I106 L109 L118 V135 Q141 L142I106-L139 HydrophobicContact CG2-CD1 3.61Å; I106-L139 HydrophobicContact CG2-CD2 4.4Å; I106-L139 HydrophobicContact CG2-CG 3.98Å; L109-L139 HydrophobicContact CB-CD1 4.11Å; L109-L139 HydrophobicContact CB-CD2 3.84Å; L109-L139 HydrophobicContact CD1-CD1 4.27Å; L118-L139 HydrophobicContact CD2-CD1 3.88Å; V135-L139 HydrophobicContact CG1-CD1 4.24Å; V135-L139 WeakPolarHBondContact O-CB 3.48Å; V135-L139 PolarHBondContact O-N 2.96Å; L139-Q141 VanDerWaalsContact C-N 3.27Å; L139-Q141 PolarHBondContact O-N 3Å; L139-L142 HydrophobicContact CB-CB 4.14Å; L139-L142 WeakPolarHBondContact O-CB 3.39Å; L139-L142 PolarHBondContact O-N 2.73Å
140P93Very high95.4Very high78 Ų7838.1 Ų38.151%0.50621%0.211SC..THydrogen-bonded Turntrans-67.6-22.8-178.227.1-36.1000114.3T138 L142 R155T138-P140 WeakPolarHBondContact O-CD 3.17Å; P140-L142 VanDerWaalsContact C-N 3.31Å; P140-R155 PolarHBondContact O-NH1 2.95Å; P140-R155 PolarHBondContact O-NH2 3.19Å; P140-R155 VanDerWaalsContact O-NH2 3.13Å
141Q94.5Very high95.5Very high36 Ų3640.5 Ų40.517%0.16822%0.221CC..THydrogen-bonded Turntrans-74.7-20.1179.467.6-86.534.400113.5L109 V112 H113 L115 L139L109-Q141 PolarHBondContact O-NE2 3.29Å; V112-Q141 PolarHBondContact O-NE2 3.13Å; H113-Q141 WeakPolarHBondContact O-CB 3.36Å; L115-Q141 HydrophobicContact CB-CG 4.27Å; L115-Q141 CarbonylContact O-C 3.55Å; L115-Q141 WeakPolarHBondContact O-CG 3.33Å; L139-Q141 VanDerWaalsContact C-N 3.27Å; L139-Q141 PolarHBondContact O-N 3Å
142L96.1Very high95.5Very high0 Ų048.7 Ų48.70%026%0.257CS..  trans-68.6134.5-173.2-163.269.4000111.4L115 E116 L118 V135 L139 P140 L145 I150 R155L115-L142 HydrophobicContact CG-CD1 4.38Å; E116-L142 WeakPolarHBondContact O-CD1 3.04Å; L118-L142 HydrophobicContact CB-CD1 3.54Å; L118-L142 HydrophobicContact CB-CD2 4.03Å; L118-L142 HydrophobicContact CB-CG 4.44Å; L118-L142 HydrophobicContact CD2-CD2 4.34Å; V135-L142 HydrophobicContact CG1-CD2 4.08Å; L139-L142 HydrophobicContact CB-CB 4.14Å; L139-L142 WeakPolarHBondContact O-CB 3.39Å; L139-L142 PolarHBondContact O-N 2.73Å; P140-L142 VanDerWaalsContact C-N 3.31Å; L142-L145 HydrophobicContact CD2-CB 3.95Å; L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 HydrophobicContact CD2-CG 4.46Å; L142-I150 HydrophobicContact CB-CD1 3.9Å; L142-I150 HydrophobicContact CD2-CD1 3.73Å; L142-I150 HydrophobicContact CG-CD1 3.72Å; L142-R155 PolarHBondContact O-NH2 2.79Å
143K96.1Very high95.5Very high115 Ų11549.7 Ų49.750%0.527%0.272SS..  trans-106.6-34177.5-62.5-177.2-169.7162.50112.3E116 I150E116-K143 HydrophobicContact CB-CB 4.45Å; E116-K143 HydrophobicContact CB-CD 4.21Å; E116-K143 HydrophobicContact CB-CG 4.29Å; E116-K143 VanDerWaalsContact CD-CE 3.47Å; E116-K143 HydrophobicContact CG-CD 4.28Å; E116-K143 PolarHBondContact O-N 3.35Å; E116-K143 WeakPolarHBondContact OE1-CE 3.36Å; E116-K143 IonicContact OE1-NZ 2.76Å; E116-K143 PolarHBondContact OE1-NZ 3.19Å; E116-K143 WeakPolarHBondContact OE2-CE 3.41Å; E116-K143 IonicContact OE2-NZ 3.77Å; E116-K143 PolarHBondContact OE2-NZ 2.96Å; K143-I150 PolarHBondContact O-N 3.22Å
144L97.5Very high95.6Very high30 Ų3048.5 Ų48.516%0.15727%0.267CS..EExtended strand (participates in β ladder)trans-134.9130.1-176.8-179.9153.2000110E116 E117 L118 Y119E116-L144 PolarHBondContact O-N 3.45Å; E117-L144 WeakPolarHBondContact CA-O 3.41Å; E117-L144 HydrophobicContact CB-CD2 4.4Å; E117-L144 HydrophobicContact CG-CB 4.19Å; E117-L144 HydrophobicContact CG-CD2 4.31Å; L118-L144 PolarHBondContact N-O 2.87Å; Y119-L144 HydrophobicContact CE1-CD2 3.94Å; Y119-L144 HydrophobicContact CE2-CD2 4.21Å; Y119-L144 WeakPolarHBondContact OH-CD2 3.23Å
145L97.1Very high95.6Very high0 Ų052 Ų520%028%0.28CS..EExtended strand (participates in β ladder)trans-128121.6178.617761.7000109.2L118 R132 V135 I136 L142 G147 V148 I150L118-L145 HydrophobicContact CB-CD1 4.31Å; L118-L145 HydrophobicContact CD2-CD1 4.32Å; L118-L145 HydrophobicContact CG-CD1 4.29Å; L118-L145 WeakPolarHBondContact O-CA 3.36Å; R132-L145 HydrophobicContact CG-CD2 3.98Å; R132-L145 PolarHBondContact NH1-O 3.29Å; V135-L145 HydrophobicContact CB-CD2 3.98Å; V135-L145 HydrophobicContact CG1-CD1 3.93Å; V135-L145 HydrophobicContact CG1-CD2 3.87Å; I136-L145 HydrophobicContact CD1-CD2 4.44Å; I136-L145 HydrophobicContact CG1-CD2 4.04Å; L142-L145 HydrophobicContact CD2-CB 3.95Å; L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 HydrophobicContact CD2-CG 4.46Å; L145-G147 VanDerWaalsContact C-N 3.25Å; L145-G147 PolarHBondContact O-N 3.37Å; L145-V148 PolarHBondContact N-O 3.15Å; L145-V148 PolarHBondContact O-N 3.35Å; L145-I150 HydrophobicContact CB-CD1 4.04Å; L145-I150 HydrophobicContact CB-CG1 4.26Å
146D95.2Very high95.6Very high36 Ų3656.7 Ų56.719%0.19330%0.304CS..THydrogen-bonded Turntrans55.337.6179.3-65.7-47.6000113.7L118 L120 T121 Y131 V148L118-D146 PolarHBondContact O-N 3.27Å; L120-D146 WeakPolarHBondContact CA-OD1 3.47Å; L120-D146 PolarHBondContact N-OD1 3.5Å; T121-D146 PolarHBondContact N-OD1 3.43Å; T121-D146 WeakPolarHBondContact OG1-CB 3.46Å; T121-D146 PolarHBondContact OG1-OD1 3.35Å; Y131-D146 PolarHBondContact OH-OD2 2.9Å; D146-V148 PolarHBondContact O-N 3.09Å
147G94Very high95.5Very high47 Ų4760.7 Ų60.749%0.48532%0.324SS..THydrogen-bonded Turntrans79.9-1.8-177.800000114.9L145L145-G147 VanDerWaalsContact C-N 3.25Å; L145-G147 PolarHBondContact O-N 3.37Å
148V96Very high95.6Very high82 Ų8260 Ų6050%0.49732%0.319SS..EExtended strand (participates in β ladder)trans-110.4126.8-179.9-175.70000110.3R132 L145 D146R132-V148 PolarHBondContact NH2-O 3.02Å; L145-V148 PolarHBondContact N-O 3.15Å; L145-V148 PolarHBondContact O-N 3.35Å; D146-V148 PolarHBondContact O-N 3.09Å
149E96.8Very high95.6Very high153 Ų15363.2 Ų63.272%0.71533%0.334SS*.EExtended strand (participates in β ladder)trans-64139.1176.5-64.7-176.3175.800112
150I96.4Very high95.6Very high23 Ų2370 Ų7012%0.11837%0.366CS..PPolyproline II helixtrans-89.1118179.9-62.1163.3000109.1I136 L142 K143 L145I136-I150 HydrophobicContact CD1-CG1 4.09Å; I136-I150 HydrophobicContact CD1-CG2 4.14Å; I136-I150 HydrophobicContact CG1-CD1 3.93Å; I136-I150 HydrophobicContact CG1-CG1 4.05Å; I136-I150 HydrophobicContact CG1-CG2 4.22Å; I136-I150 HydrophobicContact CG2-CG2 3.8Å; L142-I150 HydrophobicContact CB-CD1 3.9Å; L142-I150 HydrophobicContact CD2-CD1 3.73Å; L142-I150 HydrophobicContact CG-CD1 3.72Å; K143-I150 PolarHBondContact O-N 3.22Å; L145-I150 HydrophobicContact CB-CD1 4.04Å; L145-I150 HydrophobicContact CB-CG1 4.26Å
151T96.3Very high95.7Very high70 Ų7069 Ų6943%0.42936%0.356SS..PPolyproline II helixtrans-84.1154.8176.966.30000111.7S153 E154 R155T151-S153 VanDerWaalsContact C-N 3.27Å; T151-S153 PolarHBondContact O-N 3.3Å; T151-S153 PolarHBondContact OG1-OG 3.18Å; T151-E154 PolarHBondContact N-OE2 2.82Å; T151-E154 WeakPolarHBondContact O-CB 3.38Å; T151-E154 PolarHBondContact O-N 2.85Å; T151-E154 VanDerWaalsContact OG1-CB 3.22Å; T151-E154 WeakPolarHBondContact OG1-CB 3.37Å; T151-E154 PolarHBondContact OG1-N 3.17Å; T151-R155 PolarHBondContact O-N 2.8Å; T151-R155 VanDerWaalsContact O-N 3.11Å
152K94.7Very high95.6Very high187 Ų18769.1 Ų69.181%0.81336%0.358SS*.Hα-helixtrans-60.4-37.3175.8-66.3-177.5-178.8177.90112.3R155 I156K152-R155 PolarHBondContact O-N 2.91Å; K152-I156 WeakPolarHBondContact O-CG1 3.43Å; K152-I156 PolarHBondContact O-N 3.35Å
153S96.4Very high95.4Very high72 Ų7276 Ų7650%0.50339%0.39SS..Hα-helixtrans-63.1-45.2176.236.60000112.1T151 R155 I156 I157T151-S153 VanDerWaalsContact C-N 3.27Å; T151-S153 PolarHBondContact O-N 3.3Å; T151-S153 PolarHBondContact OG1-OG 3.18Å; S153-R155 VanDerWaalsContact C-N 3.28Å; S153-R155 PolarHBondContact O-N 2.78Å; S153-I156 PolarHBondContact O-N 3.11Å; S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 3.47Å; S153-I157 VanDerWaalsContact O-N 3.1Å
154E95.5Very high95.4Very high41 Ų4179.5 Ų79.519%0.19240%0.4CS..Hα-helixtrans-60.1-40.7176.7-176.4179.2-164.500111.2R132 I136 T151 I156 I157 A158R132-E154 IonicContact CZ-OE1 3.87Å; R132-E154 IonicContact NE-OE1 3.05Å; R132-E154 PolarHBondContact NE-OE1 2.9Å; R132-E154 IonicContact NH2-OE1 2.73Å; R132-E154 PolarHBondContact NH2-OE1 2.84Å; R132-E154 IonicContact NH2-OE2 3.05Å; I136-E154 VanDerWaalsContact CD1-CD 3.4Å; I136-E154 HydrophobicContact CD1-CG 3.7Å; I136-E154 WeakPolarHBondContact CD1-OE1 3.31Å; T151-E154 PolarHBondContact N-OE2 2.82Å; T151-E154 WeakPolarHBondContact O-CB 3.38Å; T151-E154 PolarHBondContact O-N 2.85Å; T151-E154 VanDerWaalsContact OG1-CB 3.22Å; T151-E154 WeakPolarHBondContact OG1-CB 3.37Å; T151-E154 PolarHBondContact OG1-N 3.17Å; E154-I156 PolarHBondContact O-N 3.29Å; E154-I157 PolarHBondContact O-N 3.38Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.22Å; E154-A158 PolarHBondContact O-N 2.9Å
155R95.7Very high95.3Very high77 Ų7778.9 Ų78.929%0.29140%0.397SS..Hα-helixtrans-61.8-40.6175.3-172.5170.9-64.3175.1-1.3113.5I136 P140 L142 T151 K152 S153 A158 L159I136-R155 HydrophobicContact CG2-CB 4.08Å; I136-R155 HydrophobicContact CG2-CG 4.22Å; P140-R155 PolarHBondContact O-NH1 2.95Å; P140-R155 PolarHBondContact O-NH2 3.19Å; P140-R155 VanDerWaalsContact O-NH2 3.13Å; L142-R155 PolarHBondContact O-NH2 2.79Å; T151-R155 PolarHBondContact O-N 2.8Å; T151-R155 VanDerWaalsContact O-N 3.11Å; K152-R155 PolarHBondContact O-N 2.91Å; S153-R155 VanDerWaalsContact C-N 3.28Å; S153-R155 PolarHBondContact O-N 2.78Å; R155-A158 PolarHBondContact O-N 3.01Å; R155-L159 HydrophobicContact CG-CD1 4.37Å; R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 3.25Å
156I96.1Very high95.1Very high97 Ų9784 Ų8450%0.49742%0.416SS..Hα-helixtrans-64-44.8177.2-66164.6000110.2K152 S153 E154 L159 Q160K152-I156 WeakPolarHBondContact O-CG1 3.43Å; K152-I156 PolarHBondContact O-N 3.35Å; S153-I156 PolarHBondContact O-N 3.11Å; E154-I156 PolarHBondContact O-N 3.29Å; I156-L159 PolarHBondContact O-N 3.07Å; I156-Q160 WeakPolarHBondContact O-CG 3.44Å; I156-Q160 PolarHBondContact O-N 3.4Å; I156-Q160 VanDerWaalsContact O-N 3.08Å
157I95.3Very high95.1Very high86 Ų8686 Ų8644%0.44143%0.43SS..Hα-helixtrans-63.2-43.5178.2-65164.9000110.6S153 E154 L159 Q160 N161S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 3.47Å; S153-I157 VanDerWaalsContact O-N 3.1Å; E154-I157 PolarHBondContact O-N 3.38Å; I157-L159 PolarHBondContact O-N 2.95Å; I157-Q160 PolarHBondContact O-N 3.28Å; I157-N161 WeakPolarHBondContact CG2-ND2 3.27Å; I157-N161 WeakPolarHBondContact O-CB 3.48Å; I157-N161 PolarHBondContact O-N 3.2Å; I157-N161 PolarHBondContact O-ND2 3.07Å
158A95.2Very high95.2Very high0 Ų086.8 Ų86.80%042%0.423CS..Hα-helixtrans-58-46.8177.500000112.1E133 I136 A137 E154 R155 N161 L162E133-A158 HydrophobicContact CB-CB 4.09Å; E133-A158 WeakPolarHBondContact O-CB 3.35Å; I136-A158 HydrophobicContact CB-CB 4.08Å; I136-A158 HydrophobicContact CG2-CB 3.87Å; A137-A158 HydrophobicContact CB-CB 4.15Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.22Å; E154-A158 PolarHBondContact O-N 2.9Å; R155-A158 PolarHBondContact O-N 3.01Å; A158-N161 PolarHBondContact O-N 3.22Å; A158-L162 PolarHBondContact O-N 3.13Å; A158-L162 VanDerWaalsContact O-N 3.07Å
159L95.3Very high95.1Very high97 Ų9782.9 Ų82.951%0.50840%0.399SS..Hα-helixtrans-65.2-40177.6-72.1170000112.7A137 R155 I156 I157 L162A137-L159 HydrophobicContact CB-CD2 4.11Å; R155-L159 HydrophobicContact CG-CD1 4.37Å; R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 3.25Å; I156-L159 PolarHBondContact O-N 3.07Å; I157-L159 PolarHBondContact O-N 2.95Å; L159-L162 WeakPolarHBondContact O-CB 3.44Å
160Q95.2Very high95Very high143 Ų14382.4 Ų82.467%0.66840%0.395SS*.Hα-helixtrans-66.6-37.7177.6-72.4174.5-3.800112.4I156 I157I156-Q160 WeakPolarHBondContact O-CG 3.44Å; I156-Q160 PolarHBondContact O-N 3.4Å; I156-Q160 VanDerWaalsContact O-N 3.08Å; I157-Q160 PolarHBondContact O-N 3.28Å
161N94.6Very high95Very high58 Ų5886.9 Ų86.931%0.3142%0.415SS..Hα-helixtrans-86.3-6.9-177.8-71.3-30.7000114I157 A158 E163 R164 I165I157-N161 WeakPolarHBondContact CG2-ND2 3.27Å; I157-N161 WeakPolarHBondContact O-CB 3.48Å; I157-N161 PolarHBondContact O-N 3.2Å; I157-N161 PolarHBondContact O-ND2 3.07Å; A158-N161 PolarHBondContact O-N 3.22Å; N161-E163 PolarHBondContact O-N 3.05Å; N161-R164 PolarHBondContact O-N 3.1Å; N161-R164 VanDerWaalsContact O-N 3.09Å; N161-I165 HydrophobicContact CB-CD1 3.64Å; N161-I165 HydrophobicContact CB-CG1 4.27Å; N161-I165 WeakPolarHBondContact O-CG1 3.48Å; N161-I165 PolarHBondContact O-N 3.27Å
162L92.3Very high95Very high37 Ų3787.1 Ų87.119%0.19441%0.41CS..Hα-helixtrans-49.9-53.8-176.5-169.1176.1000111.8A137 A158 L159 R164 I165 R166A137-L162 HydrophobicContact CB-CD1 4.13Å; A137-L162 HydrophobicContact CB-CG 4.35Å; A158-L162 PolarHBondContact O-N 3.13Å; A158-L162 VanDerWaalsContact O-N 3.07Å; L159-L162 WeakPolarHBondContact O-CB 3.44Å; L162-R164 PolarHBondContact O-N 3Å; L162-I165 PolarHBondContact O-N 2.77Å; L162-I165 VanDerWaalsContact O-N 3.1Å; L162-R166 HydrophobicContact CD2-CB 4.33Å; L162-R166 WeakPolarHBondContact O-CB 3.47Å; L162-R166 PolarHBondContact O-N 3.49Å
163E92.6Very high94.9Very high144 Ų14480 Ų8067%0.67338%0.38SS*.Hα-helixtrans-59.9-32.6-176.6-65.2-55.5132.500112.9N161 P167N161-E163 PolarHBondContact O-N 3.05Å; E163-P167 WeakPolarHBondContact O-CD 3.32Å
164R94.9Very high94.9Very high189 Ų18983.3 Ų83.371%0.71338%0.382SS*.Hα-helixtrans-78.1-37.7177.6-178.1179.8174.9-177.2-1.2112.1N161 L162 P167N161-R164 PolarHBondContact O-N 3.1Å; N161-R164 VanDerWaalsContact O-N 3.09Å; L162-R164 PolarHBondContact O-N 3Å; R164-P167 WeakPolarHBondContact O-CD 3.39Å; R164-P167 WeakPolarHBondContact O-CG 3.4Å
165I94.6Very high94.9Very high17 Ų1786.1 Ų86.19%0.08740%0.395CS..Hα-helixtrans-81-36.6-172.9-69.1171.5000111.5E133 F134 N161 L162 I168 I169E133-I165 HydrophobicContact CB-CD1 3.65Å; E133-I165 HydrophobicContact CG-CD1 4.15Å; F134-I165 HydrophobicContact CB-CG2 4.33Å; N161-I165 HydrophobicContact CB-CD1 3.64Å; N161-I165 HydrophobicContact CB-CG1 4.27Å; N161-I165 WeakPolarHBondContact O-CG1 3.48Å; N161-I165 PolarHBondContact O-N 3.27Å; L162-I165 PolarHBondContact O-N 2.77Å; L162-I165 VanDerWaalsContact O-N 3.1Å; I165-I168 WeakPolarHBondContact O-CB 3.34Å; I165-I168 PolarHBondContact O-N 3.2Å; I165-I169 HydrophobicContact CG2-CD1 3.38Å; I165-I169 HydrophobicContact CG2-CG1 3.89Å; I165-I169 PolarHBondContact O-N 3.41Å
166R94.5Very high94.7Very high109 Ų10984.3 Ų84.341%0.41139%0.39SS..Hα-helixtrans-50.5-48.3-178.7-164.5175.4-167.3168.810.1114.8F104 E107 L162 K170F104-R166 HydrophobicContact CE1-CG 3.93Å; F104-R166 HydrophobicContact CZ-CG 4.04Å; E107-R166 IonicContact OE1-NH2 2.76Å; E107-R166 PolarHBondContact OE1-NH2 2.97Å; L162-R166 HydrophobicContact CD2-CB 4.33Å; L162-R166 WeakPolarHBondContact O-CB 3.47Å; L162-R166 PolarHBondContact O-N 3.49Å; R166-K170 WeakPolarHBondContact O-CB 3.37Å; R166-K170 PolarHBondContact O-N 2.88Å
167P95.1Very high94.6Very high76 Ų7681 Ų8149%0.49438%0.38SS..Hα-helixtrans-66.4-34.9177.525.3-34.5000113.1E163 R164 K170 E171E163-P167 WeakPolarHBondContact O-CD 3.32Å; R164-P167 WeakPolarHBondContact O-CD 3.39Å; R164-P167 WeakPolarHBondContact O-CG 3.4Å; P167-K170 PolarHBondContact O-N 3.16Å; P167-E171 PolarHBondContact O-N 3.37Å
168I95.1Very high94.6Very high64 Ų6481.4 Ų81.433%0.32838%0.382SS..Hα-helixtrans-65-46.6178.7-59.1172000110.1P129 I165 K170 E171 K172P129-I168 HydrophobicContact CB-CG2 4.25Å; P129-I168 HydrophobicContact CG-CG2 4.32Å; I165-I168 WeakPolarHBondContact O-CB 3.34Å; I165-I168 PolarHBondContact O-N 3.2Å; I168-K170 VanDerWaalsContact C-N 3.33Å; I168-K170 PolarHBondContact O-N 3.42Å; I168-E171 PolarHBondContact O-N 3.12Å; I168-K172 PolarHBondContact O-N 3.24Å
169I95.1Very high94.5Very high0 Ų087.6 Ų87.60%041%0.409CS..Hα-helixtrans-59.9-45.5175.3-72.2171000110.7L103 F104 Y128 F134 I165 E171 K172 Q173L103-I169 HydrophobicContact CB-CG2 3.96Å; L103-I169 HydrophobicContact CD2-CD1 3.59Å; L103-I169 HydrophobicContact CD2-CG1 4.01Å; L103-I169 HydrophobicContact CD2-CG2 3.74Å; L103-I169 HydrophobicContact CG-CG2 4.15Å; F104-I169 HydrophobicContact CE2-CG2 4.11Å; F104-I169 HydrophobicContact CZ-CG2 4.21Å; Y128-I169 HydrophobicContact CD2-CG2 4.33Å; F134-I169 HydrophobicContact CB-CD1 3.32Å; F134-I169 HydrophobicContact CD1-CD1 4.1Å; F134-I169 HydrophobicContact CD2-CD1 3.59Å; F134-I169 HydrophobicContact CE2-CD1 4.44Å; F134-I169 HydrophobicContact CG-CD1 3.38Å; I165-I169 HydrophobicContact CG2-CD1 3.38Å; I165-I169 HydrophobicContact CG2-CG1 3.89Å; I165-I169 PolarHBondContact O-N 3.41Å; I169-E171 VanDerWaalsContact C-N 3.28Å; I169-E171 PolarHBondContact O-N 3.11Å; I169-K172 PolarHBondContact O-N 2.92Å; I169-Q173 WeakPolarHBondContact O-CB 3.1Å; I169-Q173 PolarHBondContact O-N 3.45Å
170K95Very high94.4Very high144 Ų14483.5 Ų83.563%0.62639%0.387SS*.Hα-helixtrans-59.6-40.3179.7-171.9176.4-178177.10112.1F104 R166 P167 I168 R174F104-K170 HydrophobicContact CE2-CB 4.03Å; F104-K170 HydrophobicContact CE2-CG 4.36Å; F104-K170 HydrophobicContact CZ-CB 4.18Å; R166-K170 WeakPolarHBondContact O-CB 3.37Å; R166-K170 PolarHBondContact O-N 2.88Å; P167-K170 PolarHBondContact O-N 3.16Å; I168-K170 VanDerWaalsContact C-N 3.33Å; I168-K170 PolarHBondContact O-N 3.42Å; K170-R174 PolarHBondContact O-N 2.69Å
171E95.7Very high94.3Very high116 Ų11681.7 Ų81.754%0.54238%0.382SS..Hα-helixtrans-64.7-47.1174.4-177.2175.1-162.600111.9P167 I168 I169 Q173 R174 E175P167-E171 PolarHBondContact O-N 3.37Å; I168-E171 PolarHBondContact O-N 3.12Å; I169-E171 VanDerWaalsContact C-N 3.28Å; I169-E171 PolarHBondContact O-N 3.11Å; E171-Q173 PolarHBondContact O-N 3.21Å; E171-R174 WeakPolarHBondContact O-CB 3.39Å; E171-R174 PolarHBondContact O-N 3.2Å; E171-R174 VanDerWaalsContact O-N 3.17Å; E171-E175 PolarHBondContact O-N 2.88Å
172K95.4Very high94.3Very high75 Ų7582.9 Ų82.933%0.32639%0.394SS..Hα-helixtrans-63.9-38.9179.2-75.1-69.8170.1-163.90113.3Y128 I168 I169 R174 E175 H176Y128-K172 HydrophobicContact CD1-CB 3.76Å; Y128-K172 HydrophobicContact CD1-CG 4.44Å; Y128-K172 HydrophobicContact CE1-CB 3.98Å; Y128-K172 HydrophobicContact CG-CB 4.07Å; I168-K172 PolarHBondContact O-N 3.24Å; I169-K172 PolarHBondContact O-N 2.92Å; K172-R174 VanDerWaalsContact C-N 3.31Å; K172-R174 PolarHBondContact O-N 2.65Å; K172-E175 IonicContact NZ-OE1 3.9Å; K172-E175 IonicContact NZ-OE2 3.84Å; K172-E175 PolarHBondContact NZ-OE2 2.89Å; K172-E175 WeakPolarHBondContact O-CB 3.27Å; K172-E175 PolarHBondContact O-N 3.33Å; K172-H176 WeakPolarHBondContact O-CB 2.87Å; K172-H176 PolarHBondContact O-N 2.99Å
173Q94.1Very high94.4Very high39 Ų3982.9 Ų82.918%0.18239%0.394CS..Hα-helixtrans-63.2-38.2174.2179.7167.8-24.900112.2D102 Y128 I169 E171 H176 G177D102-Q173 PolarHBondContact OD1-NE2 3.43Å; D102-Q173 PolarHBondContact OD1-OE1 3.02Å; Y128-Q173 HydrophobicContact CE2-CB 4.38Å; I169-Q173 WeakPolarHBondContact O-CB 3.1Å; I169-Q173 PolarHBondContact O-N 3.45Å; E171-Q173 PolarHBondContact O-N 3.21Å; Q173-H176 PolarHBondContact O-N 3.15Å; Q173-G177 PolarHBondContact O-N 3.02Å
174R95.4Very high94.3Very high141 Ų14179.6 Ų79.653%0.53238%0.377SS..Hα-helixtrans-64.2-44.8173.5-176.5-165.362.874.12.6111.1K170 E171 K172 G177 L178K170-R174 PolarHBondContact O-N 2.69Å; E171-R174 WeakPolarHBondContact O-CB 3.39Å; E171-R174 PolarHBondContact O-N 3.2Å; E171-R174 VanDerWaalsContact O-N 3.17Å; K172-R174 VanDerWaalsContact C-N 3.31Å; K172-R174 PolarHBondContact O-N 2.65Å; R174-G177 PolarHBondContact O-N 3.13Å; R174-L178 WeakPolarHBondContact O-CG 3.45Å; R174-L178 PolarHBondContact O-N 2.87Å
175E94.8Very high94.3Very high100 Ų10073 Ų7347%0.46736%0.362SS..Hα-helixtrans-57.8-48.6175.8-172.8-174.1166.600111.2E171 K172 G177 L178 K179E171-E175 PolarHBondContact O-N 2.88Å; K172-E175 IonicContact NZ-OE1 3.9Å; K172-E175 IonicContact NZ-OE2 3.84Å; K172-E175 PolarHBondContact NZ-OE2 2.89Å; K172-E175 WeakPolarHBondContact O-CB 3.27Å; K172-E175 PolarHBondContact O-N 3.33Å; E175-G177 PolarHBondContact O-N 3.26Å; E175-L178 PolarHBondContact O-N 3.26Å; E175-K179 PolarHBondContact O-N 2.98Å
176H93.1Very high94.2Very high39 Ų3978 Ų7818%0.18139%0.386CS..Hα-helixtrans-61.4-42.5175.8-179.9-93.2000112.3P124 Y128 K172 Q173 L178 K179 R180P124-H176 WeakPolarHBondContact CB-NE2 3.34Å; Y128-H176 VanDerWaalsContact OH-CB 3.31Å; Y128-H176 WeakPolarHBondContact OH-CB 3.27Å; K172-H176 WeakPolarHBondContact O-CB 2.87Å; K172-H176 PolarHBondContact O-N 2.99Å; Q173-H176 PolarHBondContact O-N 3.15Å; H176-L178 VanDerWaalsContact C-N 3.32Å; H176-L178 PolarHBondContact O-N 3.21Å; H176-K179 WeakPolarHBondContact O-CB 3.45Å; H176-K179 PolarHBondContact O-N 3.29Å; H176-R180 WeakPolarHBondContact CE1-CG 3.21Å; H176-R180 PolarHBondContact O-N 3.26Å
177G93.5Very high94Very high28 Ų2873.9 Ų73.929%0.28938%0.375SS..Hα-helixtrans-59.5-40.5176.100000112.8Q173 R174 E175 R180 N181Q173-G177 PolarHBondContact O-N 3.02Å; R174-G177 PolarHBondContact O-N 3.13Å; E175-G177 PolarHBondContact O-N 3.26Å; G177-R180 PolarHBondContact O-N 2.82Å; G177-N181 PolarHBondContact O-N 2.91Å; G177-N181 PolarHBondContact O-ND2 3.26Å; G177-N181 PolarHBondContact O-OD1 2.86Å
178L95.1Very high93.9Very high93 Ų9375.1 Ų75.149%0.48738%0.377SS..Hα-helixtrans-64.2-44.7174.2-69176000111.7R174 E175 H176 N181 S182R174-L178 WeakPolarHBondContact O-CG 3.45Å; R174-L178 PolarHBondContact O-N 2.87Å; E175-L178 PolarHBondContact O-N 3.26Å; H176-L178 VanDerWaalsContact C-N 3.32Å; H176-L178 PolarHBondContact O-N 3.21Å; L178-N181 PolarHBondContact O-N 3.33Å; L178-S182 PolarHBondContact O-N 2.77Å; L178-S182 VanDerWaalsContact O-N 3.12Å; L178-S182 PolarHBondContact O-OG 3.11Å
179K93.1Very high93.7Very high130 Ų13081 Ų8157%0.56540%0.395SS*.Hα-helixtrans-58.6-48175.8-174.7-175.8176.9-170.60111.6E175 H176 N181 S182 E183E175-K179 PolarHBondContact O-N 2.98Å; H176-K179 WeakPolarHBondContact O-CB 3.45Å; H176-K179 PolarHBondContact O-N 3.29Å; K179-N181 VanDerWaalsContact C-N 3.31Å; K179-N181 PolarHBondContact O-N 3.28Å; K179-S182 WeakPolarHBondContact O-CB 3.43Å; K179-S182 PolarHBondContact O-N 3.03Å; K179-S182 VanDerWaalsContact O-N 3.16Å; K179-E183 VanDerWaalsContact CE-OE1 3.22Å; K179-E183 WeakPolarHBondContact CE-OE1 3.45Å; K179-E183 WeakPolarHBondContact O-CG 3.42Å; K179-E183 PolarHBondContact O-N 3.18Å
180R93Very high93.5Very high12 Ų1282.4 Ų82.45%0.04540%0.4CS..Hα-helixtrans-60.2-38.4176.6-75.6-64-62140.6-2.3112.5E79 H176 G177 S182 E183 K184 E221E79-R180 IonicContact OE1-CZ 2.73Å; E79-R180 VanDerWaalsContact OE1-CZ 3.23Å; E79-R180 IonicContact OE1-NE 2.78Å; E79-R180 PolarHBondContact OE1-NE 2.74Å; E79-R180 IonicContact OE1-NH2 3.84Å; E79-R180 PolarHBondContact OE1-NH2 2.87Å; H176-R180 WeakPolarHBondContact CE1-CG 3.21Å; H176-R180 PolarHBondContact O-N 3.26Å; G177-R180 PolarHBondContact O-N 2.82Å; R180-S182 VanDerWaalsContact C-N 3.34Å; R180-S182 PolarHBondContact O-N 3.45Å; R180-E183 WeakPolarHBondContact CD-OE2 3.35Å; R180-E183 IonicContact CZ-OE2 2.68Å; R180-E183 IonicContact NE-OE2 3.32Å; R180-E183 IonicContact NH1-OE2 3.38Å; R180-E183 PolarHBondContact NH1-OE2 3.49Å; R180-E183 PolarHBondContact O-N 3.41Å; R180-K184 VanDerWaalsContact NH2-CE 3.32Å; R180-K184 WeakPolarHBondContact O-CB 3.37Å; R180-K184 VanDerWaalsContact O-CG 3.3Å; R180-K184 WeakPolarHBondContact O-CG 3.41Å; R180-K184 PolarHBondContact O-N 3.35Å; R180-E221 IonicContact CZ-OE2 2.75Å; R180-E221 IonicContact NH1-OE2 2.74Å; R180-E221 PolarHBondContact NH1-OE2 3.18Å; R180-E221 VanDerWaalsContact NH2-CD 3.31Å; R180-E221 IonicContact NH2-OE1 3.46Å; R180-E221 PolarHBondContact NH2-OE1 3.45Å; R180-E221 IonicContact NH2-OE2 2.78Å; R180-E221 PolarHBondContact NH2-OE2 2.82Å
181N94.2Very high93.1Very high105 Ų10581.2 Ų81.256%0.56140%0.395SS*.Hα-helixtrans-63.7-40.7176.5-71.1-14.8000111.8G177 L178 K179 A185G177-N181 PolarHBondContact O-N 2.91Å; G177-N181 PolarHBondContact O-ND2 3.26Å; G177-N181 PolarHBondContact O-OD1 2.86Å; L178-N181 PolarHBondContact O-N 3.33Å; K179-N181 VanDerWaalsContact C-N 3.31Å; K179-N181 PolarHBondContact O-N 3.28Å; N181-A185 PolarHBondContact O-N 3.35Å; N181-A185 VanDerWaalsContact O-N 3.07Å
182S94.5Very high92.8Very high83 Ų8380.4 Ų80.458%0.5839%0.391SS*.Hα-helixtrans-63.5-45.7173.8-63.50000112L178 K179 R180 K184 A185 E186L178-S182 PolarHBondContact O-N 2.77Å; L178-S182 VanDerWaalsContact O-N 3.12Å; L178-S182 PolarHBondContact O-OG 3.11Å; K179-S182 WeakPolarHBondContact O-CB 3.43Å; K179-S182 PolarHBondContact O-N 3.03Å; K179-S182 VanDerWaalsContact O-N 3.16Å; R180-S182 VanDerWaalsContact C-N 3.34Å; R180-S182 PolarHBondContact O-N 3.45Å; S182-K184 PolarHBondContact O-N 2.72Å; S182-A185 PolarHBondContact O-N 3.44Å; S182-E186 PolarHBondContact O-N 2.73Å
183E92.7Very high92.4Very high37 Ų3782 Ų8217%0.17340%0.395CS..Hα-helixtrans-61.1-42.2177-71172-177.500112.2K179 R180 A185 E186 A187 T219K179-E183 VanDerWaalsContact CE-OE1 3.22Å; K179-E183 WeakPolarHBondContact CE-OE1 3.45Å; K179-E183 WeakPolarHBondContact O-CG 3.42Å; K179-E183 PolarHBondContact O-N 3.18Å; R180-E183 WeakPolarHBondContact CD-OE2 3.35Å; R180-E183 IonicContact CZ-OE2 2.68Å; R180-E183 IonicContact NE-OE2 3.32Å; R180-E183 IonicContact NH1-OE2 3.38Å; R180-E183 PolarHBondContact NH1-OE2 3.49Å; R180-E183 PolarHBondContact O-N 3.41Å; E183-A185 VanDerWaalsContact C-N 3.35Å; E183-A185 PolarHBondContact O-N 3.17Å; E183-E186 PolarHBondContact O-N 2.88Å; E183-A187 WeakPolarHBondContact O-CB 3.38Å; E183-A187 PolarHBondContact O-N 3.33Å; E183-T219 HydrophobicContact CB-CG2 4.33Å; E183-T219 HydrophobicContact CG-CG2 4.35Å; E183-T219 WeakPolarHBondContact OE2-CG2 3.12Å
184K92.4Very high91.9Very high75 Ų7580.6 Ų80.633%0.32639%0.389SS..Hα-helixtrans-62.8-41175.9-75.3175.6-177.7178.70111.7E79 R180 S182 L188 E221E79-K184 WeakPolarHBondContact OE1-CE 3.37Å; E79-K184 IonicContact OE1-NZ 2.78Å; E79-K184 PolarHBondContact OE1-NZ 2.95Å; E79-K184 VanDerWaalsContact OE1-NZ 3.15Å; E79-K184 IonicContact OE2-NZ 3.98Å; E79-K184 PolarHBondContact OE2-NZ 3.23Å; R180-K184 VanDerWaalsContact NH2-CE 3.32Å; R180-K184 WeakPolarHBondContact O-CB 3.37Å; R180-K184 VanDerWaalsContact O-CG 3.3Å; R180-K184 WeakPolarHBondContact O-CG 3.41Å; R180-K184 PolarHBondContact O-N 3.35Å; S182-K184 PolarHBondContact O-N 2.72Å; K184-L188 WeakPolarHBondContact O-CB 3.36Å; K184-L188 PolarHBondContact O-N 3.37Å; K184-E221 WeakPolarHBondContact CE-OE1 3.35Å; K184-E221 WeakPolarHBondContact CG-OE1 3.35Å
185A94Very high91.4Very high49 Ų4976.5 Ų76.541%0.40538%0.384SS..Hα-helixtrans-66.6-39.3176.800000112.2N181 S182 E183 R189N181-A185 PolarHBondContact O-N 3.35Å; N181-A185 VanDerWaalsContact O-N 3.07Å; S182-A185 PolarHBondContact O-N 3.44Å; E183-A185 VanDerWaalsContact C-N 3.35Å; E183-A185 PolarHBondContact O-N 3.17Å; A185-R189 WeakPolarHBondContact O-CG 3.46Å; A185-R189 PolarHBondContact O-N 3.46Å; A185-R189 VanDerWaalsContact O-N 3.16Å
186E92Very high90.8Very high123 Ų12379 Ų7958%0.57539%0.394SS*.Hα-helixtrans-66.3-45.4175.3-173.4176.8178.700111.7S182 E183 L188 R189 R190S182-E186 PolarHBondContact O-N 2.73Å; E183-E186 PolarHBondContact O-N 2.88Å; E186-L188 VanDerWaalsContact C-N 3.3Å; E186-L188 PolarHBondContact O-N 3.5Å; E186-R189 PolarHBondContact O-N 2.73Å; E186-R190 WeakPolarHBondContact O-CB 3.43Å; E186-R190 PolarHBondContact O-N 3.07Å
187A91.5Very high90.1Very high23 Ų2378.5 Ų78.519%0.1939%0.392CS..Hα-helixtrans-59.9-39.217600000112.2E183 R190 K191 E221E183-A187 WeakPolarHBondContact O-CB 3.38Å; E183-A187 PolarHBondContact O-N 3.33Å; A187-R190 WeakPolarHBondContact O-CB 3.21Å; A187-R190 PolarHBondContact O-N 3.21Å; A187-K191 WeakPolarHBondContact O-CB 3.39Å; A187-K191 PolarHBondContact O-N 2.96Å; A187-E221 HydrophobicContact CB-CB 3.81Å; A187-E221 HydrophobicContact CB-CG 4.22Å
188L92.2Very high89Confident101 Ų10180.3 Ų80.353%0.52940%0.395SS..Hα-helixtrans-63.6-47.3175.6-176.763.3000111.7K184 E186 R190 K191 E192K184-L188 WeakPolarHBondContact O-CB 3.36Å; K184-L188 PolarHBondContact O-N 3.37Å; E186-L188 VanDerWaalsContact C-N 3.3Å; E186-L188 PolarHBondContact O-N 3.5Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 2.92Å; L188-K191 PolarHBondContact O-N 2.79Å; L188-E192 WeakPolarHBondContact O-CG 3.47Å; L188-E192 PolarHBondContact O-N 2.97Å
189R91.7Very high88Confident189 Ų18981.4 Ų81.471%0.71341%0.406SS*.Hα-helixtrans-60.2-40176.3-71.2175.5-178.8-167.51.3111.9A185 E186 E192 R193A185-R189 WeakPolarHBondContact O-CG 3.46Å; A185-R189 PolarHBondContact O-N 3.46Å; A185-R189 VanDerWaalsContact O-N 3.16Å; E186-R189 PolarHBondContact O-N 2.73Å; R189-E192 PolarHBondContact O-N 3.34Å; R189-R193 WeakPolarHBondContact O-CB 3.3Å; R189-R193 PolarHBondContact O-N 3.32Å
190R89.5Confident87Confident29 Ų2979 Ų7911%0.10940%0.4CS..Hα-helixtrans-61-50.5175-179.9-177.5176.273.66111E186 A187 L188 E192 R193 F194 E214 E225E186-R190 WeakPolarHBondContact O-CB 3.43Å; E186-R190 PolarHBondContact O-N 3.07Å; A187-R190 WeakPolarHBondContact O-CB 3.21Å; A187-R190 PolarHBondContact O-N 3.21Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 2.92Å; R190-E192 VanDerWaalsContact C-N 3.3Å; R190-E192 PolarHBondContact O-N 3.3Å; R190-R193 WeakPolarHBondContact O-CB 3.39Å; R190-R193 PolarHBondContact O-N 2.89Å; R190-F194 HydrophobicContact CG-CD2 3.86Å; R190-F194 HydrophobicContact CG-CE2 3.81Å; R190-F194 VanDerWaalsContact CZ-CE2 3.41Å; R190-F194 WeakPolarHBondContact O-CD2 3.27Å; R190-F194 PolarHBondContact O-N 3.07Å; R190-E214 IonicContact CZ-OE2 3.5Å; R190-E214 IonicContact NH1-OE1 3.69Å; R190-E214 PolarHBondContact NH1-OE1 3.21Å; R190-E214 IonicContact NH1-OE2 2.79Å; R190-E214 PolarHBondContact NH1-OE2 3.42Å; R190-E214 IonicContact NH2-OE2 2.83Å; R190-E225 WeakPolarHBondContact CD-OE2 3.41Å; R190-E225 IonicContact NE-OE1 3.59Å; R190-E225 IonicContact NE-OE2 3.94Å; R190-E225 PolarHBondContact NE-OE2 3.5Å
191K88Confident85.6Confident119 Ų11984 Ų8452%0.51743%0.433SS..Hα-helixtrans-56.9-43.8177.5-173.7172-175.6163.10111.9A187 L188 F194 A195A187-K191 WeakPolarHBondContact O-CB 3.39Å; A187-K191 PolarHBondContact O-N 2.96Å; L188-K191 PolarHBondContact O-N 2.79Å; K191-F194 PolarHBondContact O-N 3.1Å; K191-A195 WeakPolarHBondContact O-CB 3.37Å; K191-A195 PolarHBondContact O-N 3.3Å
192E89Confident84.1Confident99 Ų9983.4 Ų83.446%0.46344%0.437SS..Hα-helixtrans-64-38.3175.8-71.7176.8-177.300112.9L188 R189 R190 A195 K196L188-E192 WeakPolarHBondContact O-CG 3.47Å; L188-E192 PolarHBondContact O-N 2.97Å; R189-E192 PolarHBondContact O-N 3.34Å; R190-E192 VanDerWaalsContact C-N 3.3Å; R190-E192 PolarHBondContact O-N 3.3Å; E192-A195 PolarHBondContact O-N 3.41Å; E192-K196 WeakPolarHBondContact O-CG 3.39Å; E192-K196 PolarHBondContact O-N 3.25Å; E192-K196 VanDerWaalsContact O-N 3.16Å
193R87.3Confident82.3Confident108 Ų10881.2 Ų81.241%0.40842%0.422SS..Hα-helixtrans-62.1-50.1176.2-175.5-175.5179.5-138.2-8.4110.9R189 R190 A195 K196 I197 E210 E214R189-R193 WeakPolarHBondContact O-CB 3.3Å; R189-R193 PolarHBondContact O-N 3.32Å; R190-R193 WeakPolarHBondContact O-CB 3.39Å; R190-R193 PolarHBondContact O-N 2.89Å; R193-A195 PolarHBondContact O-N 3.12Å; R193-K196 PolarHBondContact O-N 3.3Å; R193-I197 HydrophobicContact CG-CD1 4.16Å; R193-I197 WeakPolarHBondContact O-CG1 3.43Å; R193-I197 PolarHBondContact O-N 3.21Å; R193-I197 VanDerWaalsContact O-N 3.11Å; R193-E210 IonicContact CZ-OE1 3.41Å; R193-E210 IonicContact NH1-OE1 3.81Å; R193-E210 PolarHBondContact NH1-OE1 3.22Å; R193-E210 IonicContact NH2-OE1 2.66Å; R193-E210 PolarHBondContact NH2-OE1 3.42Å; R193-E210 IonicContact NH2-OE2 3.66Å; R193-E214 IonicContact NH1-OE2 3.65Å
194F84.1Confident80.9Confident10 Ų1082.4 Ų82.44%0.04443%0.432CS..Hα-helixtrans-69.4-31.4179.1-76.8-75.6000113.1R190 K191 K196 I197 N198 F211R190-F194 HydrophobicContact CG-CD2 3.86Å; R190-F194 HydrophobicContact CG-CE2 3.81Å; R190-F194 VanDerWaalsContact CZ-CE2 3.41Å; R190-F194 WeakPolarHBondContact O-CD2 3.27Å; R190-F194 PolarHBondContact O-N 3.07Å; K191-F194 PolarHBondContact O-N 3.1Å; F194-K196 VanDerWaalsContact C-N 3.31Å; F194-K196 PolarHBondContact O-N 3.34Å; F194-I197 HydrophobicContact CD1-CD1 4.31Å; F194-I197 HydrophobicContact CE1-CD1 4.48Å; F194-I197 PolarHBondContact O-N 3.2Å; F194-N198 WeakPolarHBondContact O-CB 3.48Å; F194-N198 PolarHBondContact O-N 2.72Å; F194-N198 PolarHBondContact O-ND2 3Å; F194-F211 HydrophobicContact CD1-CB 4.33Å; F194-F211 HydrophobicContact CD1-CD2 4.33Å; F194-F211 HydrophobicContact CD2-CD2 4.39Å; F194-F211 HydrophobicContact CE1-CB 3.71Å; F194-F211 HydrophobicContact CE1-CD2 4.12Å; F194-F211 HydrophobicContact CE1-CG 4.45Å; F194-F211 HydrophobicContact CE2-CD2 4.21Å; F194-F211 HydrophobicContact CG-CD2 4.47Å; F194-F211 HydrophobicContact CZ-CB 4.12Å; F194-F211 HydrophobicContact CZ-CD2 4.07Å
195A83.2Confident79.6Confident54 Ų5483.9 Ų83.945%0.44645%0.447SS..Hα-helixtrans-60.2-40.8171.600000112K191 E192 R193 T199K191-A195 WeakPolarHBondContact O-CB 3.37Å; K191-A195 PolarHBondContact O-N 3.3Å; E192-A195 PolarHBondContact O-N 3.41Å; R193-A195 PolarHBondContact O-N 3.12Å; A195-T199 PolarHBondContact O-N 3.27Å; A195-T199 PolarHBondContact O-OG1 3.13Å
196K82.3Confident78.2Confident154 Ų15485.6 Ų85.667%0.6745%0.452SS*.Hα-helixtrans-66.9-43.6175.5-69.7170.4-175.8172.90112.1E192 R193 F194 T199E192-K196 WeakPolarHBondContact O-CG 3.39Å; E192-K196 PolarHBondContact O-N 3.25Å; E192-K196 VanDerWaalsContact O-N 3.16Å; R193-K196 PolarHBondContact O-N 3.3Å; F194-K196 VanDerWaalsContact C-N 3.31Å; F194-K196 PolarHBondContact O-N 3.34Å; K196-T199 WeakPolarHBondContact O-CB 3.49Å; K196-T199 PolarHBondContact O-N 3.11Å
197I78.1Confident77.1Confident27 Ų2779.7 Ų79.714%0.13843%0.425CS..Hα-helixtrans-62.4-44.1179.2-67.2167.6000111.2R193 F194 T199 D200 C203R193-I197 HydrophobicContact CG-CD1 4.16Å; R193-I197 WeakPolarHBondContact O-CG1 3.43Å; R193-I197 PolarHBondContact O-N 3.21Å; R193-I197 VanDerWaalsContact O-N 3.11Å; F194-I197 HydrophobicContact CD1-CD1 4.31Å; F194-I197 HydrophobicContact CE1-CD1 4.48Å; F194-I197 PolarHBondContact O-N 3.2Å; I197-T199 PolarHBondContact O-N 2.97Å; I197-D200 PolarHBondContact O-N 2.73Å; I197-D200 VanDerWaalsContact O-N 3.16Å; I197-C203 HydrophobicContact CG2-CB 4.34Å
198N71.4Confident76.2Confident66 Ų6680.5 Ų80.535%0.35343%0.427SS..Hα-helixtrans-69.5-15.3179.9-72.8-23.4000114F194 D200F194-N198 WeakPolarHBondContact O-CB 3.48Å; F194-N198 PolarHBondContact O-N 2.72Å; F194-N198 PolarHBondContact O-ND2 3Å; N198-D200 VanDerWaalsContact C-N 3.3Å
199T73.5Confident75.5Confident116 Ų11682 Ų8271%0.71243%0.431SS*.Hα-helixtrans-76.4-22.3175.2-52.60000111.5A195 K196 I197 P201A195-T199 PolarHBondContact O-N 3.27Å; A195-T199 PolarHBondContact O-OG1 3.13Å; K196-T199 WeakPolarHBondContact O-CB 3.49Å; K196-T199 PolarHBondContact O-N 3.11Å; I197-T199 PolarHBondContact O-N 2.97Å; T199-P201 VanDerWaalsContact O-CD 3.27Å; T199-P201 WeakPolarHBondContact O-CD 3.38Å
200D71.6Confident75Confident81 Ų8176.2 Ų76.243%0.43341%0.412SS..  trans-90.5107.3179.1-164.4-26.7000110.4I197 N198 S202 C203 T204I197-D200 PolarHBondContact O-N 2.73Å; I197-D200 VanDerWaalsContact O-N 3.16Å; N198-D200 VanDerWaalsContact C-N 3.3Å; D200-S202 PolarHBondContact O-N 3.05Å; D200-S202 WeakPolarHBondContact OD1-CB 3.34Å; D200-S202 PolarHBondContact OD1-N 2.89Å; D200-S202 VanDerWaalsContact OD1-N 3.15Å; D200-S202 PolarHBondContact OD1-OG 3.22Å; D200-C203 HydrophobicContact CB-CB 4.14Å; D200-C203 PolarHBondContact O-N 3.37Å; D200-T204 PolarHBondContact O-N 3.16Å; D200-T204 PolarHBondContact O-OG1 3.17Å
201P63.9Low74.8Confident116 Ų11675.4 Ų75.475%0.75341%0.41SS*.THydrogen-bonded Turntrans-60.2-24.2-176.922.1-31.2000112.8T199 C203 T204T199-P201 VanDerWaalsContact O-CD 3.27Å; T199-P201 WeakPolarHBondContact O-CD 3.38Å; P201-C203 VanDerWaalsContact C-N 3.35Å; P201-T204 PolarHBondContact O-OG1 2.94Å
202S64.2Low74.5Confident92 Ų9275.1 Ų75.164%0.64341%0.405SS*.THydrogen-bonded Turntrans-73.1-2517872.80000113.8D200D200-S202 PolarHBondContact O-N 3.05Å; D200-S202 WeakPolarHBondContact OD1-CB 3.34Å; D200-S202 PolarHBondContact OD1-N 2.89Å; D200-S202 VanDerWaalsContact OD1-N 3.15Å; D200-S202 PolarHBondContact OD1-OG 3.22Å
203C55.8Low74.3Confident38 Ų3875 Ų7526%0.25742%0.416SS..THydrogen-bonded Turntrans-103.1-7-170.5-160.30000113.4I197 D200 P201 T205 V206 G207I197-C203 HydrophobicContact CG2-CB 4.34Å; D200-C203 HydrophobicContact CB-CB 4.14Å; D200-C203 PolarHBondContact O-N 3.37Å; P201-C203 VanDerWaalsContact C-N 3.35Å; C203-T205 VanDerWaalsContact C-N 3.33Å; C203-T205 PolarHBondContact O-N 2.75Å; C203-V206 PolarHBondContact O-N 3.23Å; C203-V206 VanDerWaalsContact O-N 3.07Å; C203-G207 PolarHBondContact O-N 3.33Å
204T62.5Low74.2Confident62 Ų6273.7 Ų73.738%0.3841%0.414SS..Hα-helixtrans-52.2-46-172.4-47.70000113D200 P201 V208D200-T204 PolarHBondContact O-N 3.16Å; D200-T204 PolarHBondContact O-OG1 3.17Å; P201-T204 PolarHBondContact O-OG1 2.94Å; T204-V208 WeakPolarHBondContact O-CG2 3.41Å; T204-V208 PolarHBondContact O-N 3.09Å
205T65.9Low74.4Confident105 Ų10582.9 Ų82.964%0.64445%0.454SS*.Hα-helixtrans-66.3-40.2-179.96.30000113.1C203 V208 E209C203-T205 VanDerWaalsContact C-N 3.33Å; C203-T205 PolarHBondContact O-N 2.75Å; T205-V208 PolarHBondContact O-N 3.11Å; T205-E209 PolarHBondContact O-N 3.42Å
206V63.5Low74.6Confident85 Ų8583.1 Ų83.152%0.51545%0.45SS..Hα-helixtrans-71.6-40.7179.9-178.80000110.4C203 V208 E209 E210C203-V206 PolarHBondContact O-N 3.23Å; C203-V206 VanDerWaalsContact O-N 3.07Å; V206-V208 VanDerWaalsContact C-N 3.25Å; V206-V208 PolarHBondContact O-N 3.41Å; V206-E209 PolarHBondContact O-N 3.04Å; V206-E210 WeakPolarHBondContact O-CB 3.45Å; V206-E210 PolarHBondContact O-N 2.91Å
207G68.9Low74.7Confident0 Ų079 Ų790%044%0.439CS..Hα-helixtrans-60.8-33.1175.500000113.3C203 F211C203-G207 PolarHBondContact O-N 3.33Å; G207-F211 VanDerWaalsContact O-CB 3.3Å; G207-F211 WeakPolarHBondContact O-CB 3.47Å; G207-F211 PolarHBondContact O-N 2.96Å
208V72.9Confident75.2Confident39 Ų3983.8 Ų83.824%0.23646%0.456CS..Hα-helixtrans-63.4-50.5173.5-179.60000111.5T204 T205 V206 F211 W212 Y229T204-V208 WeakPolarHBondContact O-CG2 3.41Å; T204-V208 PolarHBondContact O-N 3.09Å; T205-V208 PolarHBondContact O-N 3.11Å; V206-V208 VanDerWaalsContact C-N 3.25Å; V206-V208 PolarHBondContact O-N 3.41Å; V208-F211 WeakPolarHBondContact O-CB 3.48Å; V208-F211 PolarHBondContact O-N 3.33Å; V208-W212 PolarHBondContact O-N 3.34Å; V208-W212 VanDerWaalsContact O-N 3.17Å; V208-Y229 WeakPolarHBondContact CA-OH 3.48Å; V208-Y229 HydrophobicContact CB-CE1 4.43Å; V208-Y229 WeakPolarHBondContact CB-OH 3.45Å; V208-Y229 HydrophobicContact CG1-CE1 3.7Å; V208-Y229 WeakPolarHBondContact CG1-OH 3.48Å; V208-Y229 WeakPolarHBondContact CG2-OH 3.3Å
209E78.2Confident76Confident132 Ų13281 Ų8162%0.61744%0.441SS*.Hα-helixtrans-67.3-40-177.3-68.7-179172.700111.4T205 V206 F211 W212 S213T205-E209 PolarHBondContact O-N 3.42Å; V206-E209 PolarHBondContact O-N 3.04Å; E209-F211 VanDerWaalsContact C-N 3.34Å; E209-F211 PolarHBondContact O-N 3.35Å; E209-W212 PolarHBondContact O-N 3.01Å; E209-S213 VanDerWaalsContact O-CB 3.27Å; E209-S213 WeakPolarHBondContact O-CB 3.33Å; E209-S213 PolarHBondContact O-N 2.84Å; E209-S213 PolarHBondContact O-OG 3.35Å
210E81.3Confident76.7Confident69 Ų6975.7 Ų75.732%0.32241%0.409SS..Hα-helixtrans-60.2-45174.1-170.5176.7-172.600110.9R193 V206 W212 S213 E214R193-E210 IonicContact CZ-OE1 3.41Å; R193-E210 IonicContact NH1-OE1 3.81Å; R193-E210 PolarHBondContact NH1-OE1 3.22Å; R193-E210 IonicContact NH2-OE1 2.66Å; R193-E210 PolarHBondContact NH2-OE1 3.42Å; R193-E210 IonicContact NH2-OE2 3.66Å; V206-E210 WeakPolarHBondContact O-CB 3.45Å; V206-E210 PolarHBondContact O-N 2.91Å; E210-W212 PolarHBondContact O-N 2.95Å; E210-S213 PolarHBondContact O-N 2.95Å; E210-E214 WeakPolarHBondContact O-CB 3.44Å; E210-E214 PolarHBondContact O-N 3.5Å; E210-E214 VanDerWaalsContact O-N 3.13Å
211F84.6Confident77.6Confident12 Ų1274.4 Ų74.45%0.05340%0.4CS..Hα-helixtrans-55.8-47.4176.7177.9-96.2000112.6F194 G207 V208 E209 E225 Y229F194-F211 HydrophobicContact CD1-CB 4.33Å; F194-F211 HydrophobicContact CD1-CD2 4.33Å; F194-F211 HydrophobicContact CD2-CD2 4.39Å; F194-F211 HydrophobicContact CE1-CB 3.71Å; F194-F211 HydrophobicContact CE1-CD2 4.12Å; F194-F211 HydrophobicContact CE1-CG 4.45Å; F194-F211 HydrophobicContact CE2-CD2 4.21Å; F194-F211 HydrophobicContact CG-CD2 4.47Å; F194-F211 HydrophobicContact CZ-CB 4.12Å; F194-F211 HydrophobicContact CZ-CD2 4.07Å; G207-F211 VanDerWaalsContact O-CB 3.3Å; G207-F211 WeakPolarHBondContact O-CB 3.47Å; G207-F211 PolarHBondContact O-N 2.96Å; V208-F211 WeakPolarHBondContact O-CB 3.48Å; V208-F211 PolarHBondContact O-N 3.33Å; E209-F211 VanDerWaalsContact C-N 3.34Å; E209-F211 PolarHBondContact O-N 3.35Å; F211-E225 HydrophobicContact CE2-CG 3.65Å; F211-E225 HydrophobicContact CZ-CG 3.95Å; F211-Y229 HydrophobicContact CB-CE2 4.25Å; F211-Y229 AromaticContact CD1-CD1 3.99Å; F211-Y229 HydrophobicContact CD1-CD1 3.99Å; F211-Y229 AromaticContact CD1-CD2 3.58Å; F211-Y229 HydrophobicContact CD1-CD2 3.58Å; F211-Y229 HydrophobicContact CD1-CE1 4.35Å; F211-Y229 AromaticContact CD1-CE2 3.96Å; F211-Y229 HydrophobicContact CD1-CE2 3.96Å; F211-Y229 AromaticContact CD1-CG 3.6Å; F211-Y229 HydrophobicContact CD1-CG 3.6Å; F211-Y229 HydrophobicContact CD2-CD2 4.2Å; F211-Y229 HydrophobicContact CD2-CE2 4.49Å; F211-Y229 HydrophobicContact CE1-CD1 4.13Å; F211-Y229 AromaticContact CE1-CD2 3.68Å; F211-Y229 HydrophobicContact CE1-CD2 3.68Å; F211-Y229 AromaticContact CE1-CG 3.47Å; F211-Y229 HydrophobicContact CE1-CG 3.47Å; F211-Y229 VanDerWaalsContact CE1-CG 3.47Å; F211-Y229 HydrophobicContact CE2-CD2 4.29Å; F211-Y229 AromaticContact CG-CD2 3.85Å; F211-Y229 HydrophobicContact CG-CD2 3.85Å; F211-Y229 AromaticContact CG-CE2 3.95Å; F211-Y229 HydrophobicContact CG-CE2 3.95Å; F211-Y229 HydrophobicContact CG-CG 4.34Å; F211-Y229 HydrophobicContact CZ-CD2 4.05Å; F211-Y229 HydrophobicContact CZ-CG 4.12Å
212W82.1Confident78.7Confident112 Ų11269.4 Ų69.442%0.42437%0.368SS..Hα-helixtrans-76.9-20.2-177.8-74.7107.9000114.3V208 E209 E210 T226 Y229 I230V208-W212 PolarHBondContact O-N 3.34Å; V208-W212 VanDerWaalsContact O-N 3.17Å; E209-W212 PolarHBondContact O-N 3.01Å; E210-W212 PolarHBondContact O-N 2.95Å; W212-T226 HydrophobicContact CH2-CG2 3.8Å; W212-T226 HydrophobicContact CZ3-CG2 3.85Å; W212-Y229 AromaticContact CE2-CD1 3.73Å; W212-Y229 AromaticContact CZ2-CD1 3.74Å; W212-Y229 HydrophobicContact CZ2-CD1 3.74Å; W212-Y229 HydrophobicContact CZ2-CG 4.34Å; W212-Y229 AromaticContact NE1-CD1 3.26Å; W212-Y229 VanDerWaalsContact NE1-CD1 3.26Å; W212-Y229 AromaticContact NE1-CE1 3.33Å; W212-Y229 VanDerWaalsContact NE1-CE1 3.33Å; W212-I230 HydrophobicContact CH2-CD1 3.94Å; W212-I230 HydrophobicContact CH2-CG1 3.55Å; W212-I230 HydrophobicContact CZ2-CG1 3.85Å
213S85.2Confident79.9Confident98 Ų9866.8 Ų66.869%0.68534%0.344SS*.Hα-helixtrans-93.1-21-176.9-56.10000113.3E209 E210E209-S213 VanDerWaalsContact O-CB 3.27Å; E209-S213 WeakPolarHBondContact O-CB 3.33Å; E209-S213 PolarHBondContact O-N 2.84Å; E209-S213 PolarHBondContact O-OG 3.35Å; E210-S213 PolarHBondContact O-N 2.95Å
214E85.5Confident81.4Confident79 Ų7967 Ų6737%0.36934%0.343SS..SBendtrans-73.4131-177-165.3172.6166.200111.9R190 R193 E210 V216R190-E214 IonicContact CZ-OE2 3.5Å; R190-E214 IonicContact NH1-OE1 3.69Å; R190-E214 PolarHBondContact NH1-OE1 3.21Å; R190-E214 IonicContact NH1-OE2 2.79Å; R190-E214 PolarHBondContact NH1-OE2 3.42Å; R190-E214 IonicContact NH2-OE2 2.83Å; R193-E214 IonicContact NH1-OE2 3.65Å; E210-E214 WeakPolarHBondContact O-CB 3.44Å; E210-E214 PolarHBondContact O-N 3.5Å; E210-E214 VanDerWaalsContact O-N 3.13Å; E214-V216 PolarHBondContact O-N 3Å
215K87.9Confident82.5Confident204 Ų20465.4 Ų65.489%0.88733%0.331SS*.  trans-78.7116.7175-67.4-177.7-179.4179.40109.4
216V86.8Confident83.5Confident59 Ų5962.6 Ų62.636%0.35831%0.314SS..  trans-115.3148.5178.1-65.80000111.2E214E214-V216 PolarHBondContact O-N 3Å
217P86.1Confident84.5Confident67 Ų6759.9 Ų59.944%0.43530%0.295SS..  trans-64.8148.8172.228.6-34.5000110.5T219 S222P217-T219 HydrophobicContact CB-CG2 4.23Å; P217-T219 HydrophobicContact CG-CG2 4.19Å; P217-T219 PolarHBondContact O-N 2.68Å; P217-S222 PolarHBondContact O-OG 3.33Å
218Y86.6Confident85.2Confident127 Ų12762.9 Ų62.950%0.49831%0.309SS..  trans-76.994.9177.8-172.7-105.2000110.1F99 R223F99-Y218 AromaticContact CE1-CD1 3.89Å; F99-Y218 HydrophobicContact CE1-CD1 3.89Å; F99-Y218 HydrophobicContact CE1-CE1 4.15Å; F99-Y218 VanDerWaalsContact CE1-O 3.31Å; F99-Y218 WeakPolarHBondContact CE1-O 3.14Å; F99-Y218 HydrophobicContact CE2-CE1 4.32Å; F99-Y218 AromaticContact CZ-CD1 3.61Å; F99-Y218 HydrophobicContact CZ-CD1 3.61Å; F99-Y218 AromaticContact CZ-CE1 3.49Å; F99-Y218 HydrophobicContact CZ-CE1 3.49Å; F99-Y218 VanDerWaalsContact CZ-CE1 3.49Å; Y218-R223 HydrophobicContact CE2-CG 4.02Å; Y218-R223 PolarHBondContact OH-NH1 3.39Å
219T89.3Confident85.7Confident7 Ų762.4 Ų62.44%0.04330%0.303CS..  trans-125.9158.318062.50000111.3E183 P217 E221 S222 R223E183-T219 HydrophobicContact CB-CG2 4.33Å; E183-T219 HydrophobicContact CG-CG2 4.35Å; E183-T219 WeakPolarHBondContact OE2-CG2 3.12Å; P217-T219 HydrophobicContact CB-CG2 4.23Å; P217-T219 HydrophobicContact CG-CG2 4.19Å; P217-T219 PolarHBondContact O-N 2.68Å; T219-E221 PolarHBondContact O-N 2.67Å; T219-S222 PolarHBondContact N-OG 3.32Å; T219-S222 PolarHBondContact O-N 3.02Å; T219-S222 PolarHBondContact O-OG 3.07Å; T219-S222 WeakPolarHBondContact OG1-CB 3.46Å; T219-S222 PolarHBondContact OG1-N 2.97Å; T219-S222 PolarHBondContact OG1-OG 3.43Å; T219-R223 PolarHBondContact O-N 3.35Å; T219-R223 VanDerWaalsContact O-N 3.11Å
220P88.9Confident86Confident5 Ų559.5 Ų59.53%0.03229%0.291CS..Hα-helixtrans-48.4-42.7172.6-30.736.5000113.9N77 F99 R223 I224N77-P220 HydrophobicContact CB-CB 3.93Å; N77-P220 HydrophobicContact CB-CG 4.4Å; N77-P220 PolarHBondContact ND2-O 3.2Å; F99-P220 HydrophobicContact CB-CG 4.14Å; F99-P220 HydrophobicContact CD1-CG 4.16Å; F99-P220 HydrophobicContact CD2-CG 3.59Å; F99-P220 HydrophobicContact CE1-CG 4.46Å; F99-P220 HydrophobicContact CE2-CG 3.91Å; F99-P220 HydrophobicContact CG-CG 3.68Å; F99-P220 HydrophobicContact CZ-CG 4.32Å; P220-R223 WeakPolarHBondContact O-CB 3.48Å; P220-R223 PolarHBondContact O-N 3.13Å; P220-I224 WeakPolarHBondContact O-CG1 3.38Å; P220-I224 PolarHBondContact O-N 3.15Å; P220-I224 VanDerWaalsContact O-N 3.1Å
221E88.9Confident86.1Confident54 Ų5458.1 Ų58.125%0.25229%0.285SS..Hα-helixtrans-68.7-44.3-176.7-63.875.1-17500111R180 K184 A187 T219 R223 I224 E225R180-E221 IonicContact CZ-OE2 2.75Å; R180-E221 IonicContact NH1-OE2 2.74Å; R180-E221 PolarHBondContact NH1-OE2 3.18Å; R180-E221 VanDerWaalsContact NH2-CD 3.31Å; R180-E221 IonicContact NH2-OE1 3.46Å; R180-E221 PolarHBondContact NH2-OE1 3.45Å; R180-E221 IonicContact NH2-OE2 2.78Å; R180-E221 PolarHBondContact NH2-OE2 2.82Å; K184-E221 WeakPolarHBondContact CE-OE1 3.35Å; K184-E221 WeakPolarHBondContact CG-OE1 3.35Å; A187-E221 HydrophobicContact CB-CB 3.81Å; A187-E221 HydrophobicContact CB-CG 4.22Å; T219-E221 PolarHBondContact O-N 2.67Å; E221-R223 VanDerWaalsContact C-N 3.27Å; E221-R223 PolarHBondContact O-N 2.95Å; E221-I224 PolarHBondContact O-N 3.39Å; E221-E225 WeakPolarHBondContact O-CB 3.3Å; E221-E225 PolarHBondContact O-N 3.38Å
222S88.1Confident85.9Confident12 Ų1262.9 Ų62.98%0.08431%0.307CS..Hα-helixtrans-61.4-35.8174.971.90000112.3P217 T219 T226P217-S222 PolarHBondContact O-OG 3.33Å; T219-S222 PolarHBondContact N-OG 3.32Å; T219-S222 PolarHBondContact O-N 3.02Å; T219-S222 PolarHBondContact O-OG 3.07Å; T219-S222 WeakPolarHBondContact OG1-CB 3.46Å; T219-S222 PolarHBondContact OG1-N 2.97Å; T219-S222 PolarHBondContact OG1-OG 3.43Å; S222-T226 WeakPolarHBondContact O-CB 3.41Å; S222-T226 PolarHBondContact O-N 3.45Å; S222-T226 PolarHBondContact O-OG1 2.9Å
223R88.7Confident85.9Confident37 Ų3761.6 Ų61.614%0.1431%0.305CS..Hα-helixtrans-65.9-46.7176.9-72.8171.357.380.61.1111N54 L55 L75 N77 Y218 T219 P220 E221 H227N54-R223 PolarHBondContact O-NH2 3.45Å; N54-R223 VanDerWaalsContact O-NH2 3.13Å; L55-R223 HydrophobicContact CD2-CB 3.91Å; L75-R223 PolarHBondContact O-NH2 2.73Å; L75-R223 VanDerWaalsContact O-NH2 3.09Å; N77-R223 VanDerWaalsContact OD1-CD 3.27Å; N77-R223 WeakPolarHBondContact OD1-CD 3.42Å; N77-R223 PolarHBondContact OD1-NE 3.24Å; Y218-R223 HydrophobicContact CE2-CG 4.02Å; Y218-R223 PolarHBondContact OH-NH1 3.39Å; T219-R223 PolarHBondContact O-N 3.35Å; T219-R223 VanDerWaalsContact O-N 3.11Å; P220-R223 WeakPolarHBondContact O-CB 3.48Å; P220-R223 PolarHBondContact O-N 3.13Å; E221-R223 VanDerWaalsContact C-N 3.27Å; E221-R223 PolarHBondContact O-N 2.95Å; R223-H227 WeakPolarHBondContact O-CB 3.36Å; R223-H227 PolarHBondContact O-N 2.98Å
224I86.7Confident85.8Confident43 Ų4360.5 Ų60.522%0.22129%0.289CS..Hα-helixtrans-62.4-48177.1-65.6165.4000109.9L55 P220 E221 T226 H227 E228L55-I224 HydrophobicContact CB-CG1 4.44Å; L55-I224 HydrophobicContact CD1-CG1 4.43Å; P220-I224 WeakPolarHBondContact O-CG1 3.38Å; P220-I224 PolarHBondContact O-N 3.15Å; P220-I224 VanDerWaalsContact O-N 3.1Å; E221-I224 PolarHBondContact O-N 3.39Å; I224-T226 PolarHBondContact O-N 3.1Å; I224-H227 PolarHBondContact O-N 2.86Å; I224-H227 VanDerWaalsContact O-N 3.09Å; I224-E228 HydrophobicContact CG2-CG 4.23Å; I224-E228 WeakPolarHBondContact O-CG 3.46Å; I224-E228 PolarHBondContact O-N 3.07Å
225E86.2Confident85.6Confident28 Ų2862.2 Ų62.213%0.13130%0.295CS..Hα-helixtrans-58.6-47.4-179.9-168.7-174.4-156.300111.8R190 F211 E221 H227 E228 Y229R190-E225 WeakPolarHBondContact CD-OE2 3.41Å; R190-E225 IonicContact NE-OE1 3.59Å; R190-E225 IonicContact NE-OE2 3.94Å; R190-E225 PolarHBondContact NE-OE2 3.5Å; F211-E225 HydrophobicContact CE2-CG 3.65Å; F211-E225 HydrophobicContact CZ-CG 3.95Å; E221-E225 WeakPolarHBondContact O-CB 3.3Å; E221-E225 PolarHBondContact O-N 3.38Å; E225-H227 VanDerWaalsContact C-N 3.26Å; E225-H227 PolarHBondContact O-N 3.33Å; E225-E228 PolarHBondContact O-N 3.42Å; E225-Y229 PolarHBondContact O-N 3.26Å
226T86.6Confident85.2Confident46 Ų4655.2 Ų55.228%0.28227%0.271SS..Hα-helixtrans-58-42176.1-56.30000111.1W212 S222 I224 Y229 I230W212-T226 HydrophobicContact CH2-CG2 3.8Å; W212-T226 HydrophobicContact CZ3-CG2 3.85Å; S222-T226 WeakPolarHBondContact O-CB 3.41Å; S222-T226 PolarHBondContact O-N 3.45Å; S222-T226 PolarHBondContact O-OG1 2.9Å; I224-T226 PolarHBondContact O-N 3.1Å; T226-Y229 WeakPolarHBondContact O-CB 3.47Å; T226-Y229 PolarHBondContact O-N 3.46Å; T226-I230 HydrophobicContact CG2-CD1 4.24Å; T226-I230 WeakPolarHBondContact O-CG1 3.36Å; T226-I230 PolarHBondContact O-N 3.18Å; T226-I230 VanDerWaalsContact O-N 3.11Å
227H84.2Confident85Confident28 Ų2858.1 Ų58.113%0.1328%0.276CS..Hα-helixtrans-70.8-42.4-178.9-166.267.7000113N32 L55 R223 I224 E225 Y229 I230 Q231N32-H227 WeakPolarHBondContact CB-NE2 3.21Å; N32-H227 PolarHBondContact ND2-CE1 2.97Å; N32-H227 PolarHBondContact ND2-NE2 3.21Å; N32-H227 PolarHBondContact OD1-CE1 3.03Å; N32-H227 PolarHBondContact OD1-ND1 2.99Å; N32-H227 PolarHBondContact OD1-NE2 2.87Å; L55-H227 HydrophobicContact CD1-CB 3.84Å; R223-H227 WeakPolarHBondContact O-CB 3.36Å; R223-H227 PolarHBondContact O-N 2.98Å; I224-H227 PolarHBondContact O-N 2.86Å; I224-H227 VanDerWaalsContact O-N 3.09Å; E225-H227 VanDerWaalsContact C-N 3.26Å; E225-H227 PolarHBondContact O-N 3.33Å; H227-Y229 PolarHBondContact O-N 2.87Å; H227-I230 PolarHBondContact O-N 3.18Å; H227-Q231 PolarHBondContact CD2-NE2 3.47Å; H227-Q231 PolarHBondContact NE2-NE2 3.32Å; H227-Q231 PolarHBondContact O-N 3.5Å
228E84.5Confident84.6Confident63 Ų6359.9 Ų59.929%0.29428%0.278SS..Hα-helixtrans-54.9-43172.6-74.1-179.4166.700110.6I224 E225 Q231 Q232I224-E228 HydrophobicContact CG2-CG 4.23Å; I224-E228 WeakPolarHBondContact O-CG 3.46Å; I224-E228 PolarHBondContact O-N 3.07Å; E225-E228 PolarHBondContact O-N 3.42Å; E228-Q231 PolarHBondContact O-N 3.07Å; E228-Q232 WeakPolarHBondContact O-CG 3.33Å; E228-Q232 PolarHBondContact O-N 2.71Å
229Y82.6Confident84.1Confident28 Ų2859.7 Ų59.711%0.1128%0.282CS..Hα-helixtrans-63.8-44.2178.8-150.9-78.6000112.8V208 F211 W212 E225 T226 H227 Q232 K233V208-Y229 WeakPolarHBondContact CA-OH 3.48Å; V208-Y229 HydrophobicContact CB-CE1 4.43Å; V208-Y229 WeakPolarHBondContact CB-OH 3.45Å; V208-Y229 HydrophobicContact CG1-CE1 3.7Å; V208-Y229 WeakPolarHBondContact CG1-OH 3.48Å; V208-Y229 WeakPolarHBondContact CG2-OH 3.3Å; F211-Y229 HydrophobicContact CB-CE2 4.25Å; F211-Y229 AromaticContact CD1-CD1 3.99Å; F211-Y229 HydrophobicContact CD1-CD1 3.99Å; F211-Y229 AromaticContact CD1-CD2 3.58Å; F211-Y229 HydrophobicContact CD1-CD2 3.58Å; F211-Y229 HydrophobicContact CD1-CE1 4.35Å; F211-Y229 AromaticContact CD1-CE2 3.96Å; F211-Y229 HydrophobicContact CD1-CE2 3.96Å; F211-Y229 AromaticContact CD1-CG 3.6Å; F211-Y229 HydrophobicContact CD1-CG 3.6Å; F211-Y229 HydrophobicContact CD2-CD2 4.2Å; F211-Y229 HydrophobicContact CD2-CE2 4.49Å; F211-Y229 HydrophobicContact CE1-CD1 4.13Å; F211-Y229 AromaticContact CE1-CD2 3.68Å; F211-Y229 HydrophobicContact CE1-CD2 3.68Å; F211-Y229 AromaticContact CE1-CG 3.47Å; F211-Y229 HydrophobicContact CE1-CG 3.47Å; F211-Y229 VanDerWaalsContact CE1-CG 3.47Å; F211-Y229 HydrophobicContact CE2-CD2 4.29Å; F211-Y229 AromaticContact CG-CD2 3.85Å; F211-Y229 HydrophobicContact CG-CD2 3.85Å; F211-Y229 AromaticContact CG-CE2 3.95Å; F211-Y229 HydrophobicContact CG-CE2 3.95Å; F211-Y229 HydrophobicContact CG-CG 4.34Å; F211-Y229 HydrophobicContact CZ-CD2 4.05Å; F211-Y229 HydrophobicContact CZ-CG 4.12Å; W212-Y229 AromaticContact CE2-CD1 3.73Å; W212-Y229 AromaticContact CZ2-CD1 3.74Å; W212-Y229 HydrophobicContact CZ2-CD1 3.74Å; W212-Y229 HydrophobicContact CZ2-CG 4.34Å; W212-Y229 AromaticContact NE1-CD1 3.26Å; W212-Y229 VanDerWaalsContact NE1-CD1 3.26Å; W212-Y229 AromaticContact NE1-CE1 3.33Å; W212-Y229 VanDerWaalsContact NE1-CE1 3.33Å; E225-Y229 PolarHBondContact O-N 3.26Å; T226-Y229 WeakPolarHBondContact O-CB 3.47Å; T226-Y229 PolarHBondContact O-N 3.46Å; H227-Y229 PolarHBondContact O-N 2.87Å; Y229-Q232 PolarHBondContact O-N 3.46Å; Y229-K233 PolarHBondContact O-N 3.29Å; Y229-K233 VanDerWaalsContact O-N 3.13Å
230I85.1Confident83.4Confident71 Ų7162.6 Ų62.636%0.36430%0.3SS..Hα-helixtrans-61.4-45.8175.5-66.5166.8000110.3W212 T226 H227 Q232 K233 E234W212-I230 HydrophobicContact CH2-CD1 3.94Å; W212-I230 HydrophobicContact CH2-CG1 3.55Å; W212-I230 HydrophobicContact CZ2-CG1 3.85Å; T226-I230 HydrophobicContact CG2-CD1 4.24Å; T226-I230 WeakPolarHBondContact O-CG1 3.36Å; T226-I230 PolarHBondContact O-N 3.18Å; T226-I230 VanDerWaalsContact O-N 3.11Å; H227-I230 PolarHBondContact O-N 3.18Å; I230-Q232 PolarHBondContact O-N 3.47Å; I230-K233 WeakPolarHBondContact O-CB 2.99Å; I230-K233 PolarHBondContact O-N 3.11Å; I230-E234 HydrophobicContact CG2-CG 4.46Å; I230-E234 PolarHBondContact O-N 3.24Å
231Q83Confident82.5Confident40 Ų4069.1 Ų69.119%0.18733%0.328CS..Hα-helixtrans-61-42.4179.5-73.7-169.59.900112.3H227 E228 K233 E234 K235H227-Q231 PolarHBondContact CD2-NE2 3.47Å; H227-Q231 PolarHBondContact NE2-NE2 3.32Å; H227-Q231 PolarHBondContact O-N 3.5Å; E228-Q231 PolarHBondContact O-N 3.07Å; Q231-K233 VanDerWaalsContact C-N 3.32Å; Q231-K233 PolarHBondContact O-N 3.38Å; Q231-E234 PolarHBondContact O-N 3.43Å; Q231-K235 WeakPolarHBondContact O-CB 3.43Å; Q231-K235 WeakPolarHBondContact O-CG 3.37Å; Q231-K235 PolarHBondContact O-N 3.49Å
232Q81.8Confident81.4Confident113 Ų11371.8 Ų71.853%0.52834%0.34SS..Hα-helixtrans-62.9-40.2177.1-71.4178.223.800111.9E228 Y229 I230 K235 S236E228-Q232 WeakPolarHBondContact O-CG 3.33Å; E228-Q232 PolarHBondContact O-N 2.71Å; Y229-Q232 PolarHBondContact O-N 3.46Å; I230-Q232 PolarHBondContact O-N 3.47Å; Q232-K235 PolarHBondContact O-N 2.64Å; Q232-S236 PolarHBondContact O-N 3.03Å; Q232-S236 PolarHBondContact O-OG 3.07Å
233K82.4Confident79.9Confident84 Ų8473.9 Ų73.937%0.36536%0.355SS..Hα-helixtrans-64.8-40.6175.8-171.6176.4-177.7175.60112.4Y229 I230 Q231 S236 R237Y229-K233 PolarHBondContact O-N 3.29Å; Y229-K233 VanDerWaalsContact O-N 3.13Å; I230-K233 WeakPolarHBondContact O-CB 2.99Å; I230-K233 PolarHBondContact O-N 3.11Å; Q231-K233 VanDerWaalsContact C-N 3.32Å; Q231-K233 PolarHBondContact O-N 3.38Å; K233-S236 WeakPolarHBondContact CA-OG 3.45Å; K233-S236 PolarHBondContact O-OG 2.96Å; K233-R237 WeakPolarHBondContact O-CB 3.5Å; K233-R237 WeakPolarHBondContact O-CD 3.15Å; K233-R237 WeakPolarHBondContact O-CG 3.46Å; K233-R237 PolarHBondContact O-N 3.14Å; K233-R237 VanDerWaalsContact O-N 3.1Å
234E81.9Confident78.5Confident75 Ų7580.9 Ų80.935%0.3538%0.381SS..Hα-helixtrans-70.6-40.1176.9-70-56.3123.400112.1I230 Q231 R237 Q238I230-E234 HydrophobicContact CG2-CG 4.46Å; I230-E234 PolarHBondContact O-N 3.24Å; Q231-E234 PolarHBondContact O-N 3.43Å; E234-R237 WeakPolarHBondContact O-CB 3.43Å; E234-R237 PolarHBondContact O-N 3.36Å; E234-R237 WeakPolarHBondContact OE1-CD 3.42Å; E234-R237 IonicContact OE1-CZ 2.88Å; E234-R237 IonicContact OE1-NE 2.92Å; E234-R237 IonicContact OE1-NH1 3.23Å; E234-R237 PolarHBondContact OE1-NH1 3.36Å; E234-Q238 WeakPolarHBondContact O-CG 2.81Å; E234-Q238 PolarHBondContact O-N 3.16Å
235K81.8Confident77.1Confident116 Ų11683.5 Ų83.550%0.50440%0.399SS..Hα-helixtrans-60.9-46.1174.1-75.3178179.1-176.90112.3Q231 Q232 R237 Q238 Q239Q231-K235 WeakPolarHBondContact O-CB 3.43Å; Q231-K235 WeakPolarHBondContact O-CG 3.37Å; Q231-K235 PolarHBondContact O-N 3.49Å; Q232-K235 PolarHBondContact O-N 2.64Å; K235-R237 VanDerWaalsContact C-N 3.31Å; K235-R237 PolarHBondContact O-N 3.11Å; K235-Q238 PolarHBondContact O-N 2.99Å; K235-Q239 WeakPolarHBondContact O-CB 3.28Å; K235-Q239 VanDerWaalsContact O-CG 3.32Å; K235-Q239 WeakPolarHBondContact O-CG 3.34Å; K235-Q239 PolarHBondContact O-N 3Å
236S79.5Confident75.6Confident56 Ų5689.9 Ų89.939%0.39243%0.429SS..Hα-helixtrans-63-37.3176.653.70000112.2Q232 K233 T240Q232-S236 PolarHBondContact O-N 3.03Å; Q232-S236 PolarHBondContact O-OG 3.07Å; K233-S236 WeakPolarHBondContact CA-OG 3.45Å; K233-S236 PolarHBondContact O-OG 2.96Å; S236-T240 WeakPolarHBondContact O-CB 3.38Å; S236-T240 PolarHBondContact O-N 3.36Å; S236-T240 PolarHBondContact O-OG1 3.26Å
237R81.6Confident73.9Confident121 Ų12191.1 Ų91.146%0.45744%0.44SS..Hα-helixtrans-64.8-42.8172.2-74.5167.5169.8-168.8-8.8112.6K233 E234 K235 T240 K241K233-R237 WeakPolarHBondContact O-CB 3.5Å; K233-R237 WeakPolarHBondContact O-CD 3.15Å; K233-R237 WeakPolarHBondContact O-CG 3.46Å; K233-R237 PolarHBondContact O-N 3.14Å; K233-R237 VanDerWaalsContact O-N 3.1Å; E234-R237 WeakPolarHBondContact O-CB 3.43Å; E234-R237 PolarHBondContact O-N 3.36Å; E234-R237 WeakPolarHBondContact OE1-CD 3.42Å; E234-R237 IonicContact OE1-CZ 2.88Å; E234-R237 IonicContact OE1-NE 2.92Å; E234-R237 IonicContact OE1-NH1 3.23Å; E234-R237 PolarHBondContact OE1-NH1 3.36Å; K235-R237 VanDerWaalsContact C-N 3.31Å; K235-R237 PolarHBondContact O-N 3.11Å; R237-T240 PolarHBondContact O-N 3.14Å; R237-K241 WeakPolarHBondContact O-CG 3.32Å; R237-K241 PolarHBondContact O-N 2.72Å
238Q77.9Confident72.4Confident103 Ų10399.8 Ų99.848%0.48147%0.471SS..Hα-helixtrans-64.8-48177.5-74.7174.33.400111.2E234 K235 T240 K241 E242E234-Q238 WeakPolarHBondContact O-CG 2.81Å; E234-Q238 PolarHBondContact O-N 3.16Å; K235-Q238 PolarHBondContact O-N 2.99Å; Q238-T240 PolarHBondContact O-N 2.7Å; Q238-K241 CarbonylContact O-C 3.44Å; Q238-K241 WeakPolarHBondContact O-CA 3.2Å; Q238-K241 WeakPolarHBondContact O-CB 3.47Å; Q238-K241 PolarHBondContact O-N 2.82Å; Q238-E242 PolarHBondContact O-N 3.32Å
239Q75.5Confident71Confident123 Ų123102.1 Ų102.158%0.57549%0.489SS*.Hα-helixtrans-57.7-37.9173.9-71.41734.700112K235 K241 S243K235-Q239 WeakPolarHBondContact O-CB 3.28Å; K235-Q239 VanDerWaalsContact O-CG 3.32Å; K235-Q239 WeakPolarHBondContact O-CG 3.34Å; K235-Q239 PolarHBondContact O-N 3Å; Q239-K241 VanDerWaalsContact C-N 3.34Å; Q239-S243 WeakPolarHBondContact O-CB 3.42Å; Q239-S243 PolarHBondContact O-N 3.08Å; Q239-S243 PolarHBondContact O-OG 3.2Å
240T74.8Confident69.9Low68 Ų68106.4 Ų106.442%0.41752%0.519SS..Hα-helixtrans-67.3-34.5174.5-540000112.1S236 R237 Q238 S243 R244S236-T240 WeakPolarHBondContact O-CB 3.38Å; S236-T240 PolarHBondContact O-N 3.36Å; S236-T240 PolarHBondContact O-OG1 3.26Å; R237-T240 PolarHBondContact O-N 3.14Å; Q238-T240 PolarHBondContact O-N 2.7Å; T240-S243 WeakPolarHBondContact CA-OG 3.38Å; T240-S243 PolarHBondContact O-OG 2.87Å; T240-R244 VanDerWaalsContact O-CB 3.28Å; T240-R244 WeakPolarHBondContact O-CB 3.41Å; T240-R244 WeakPolarHBondContact O-CD 3.39Å; T240-R244 WeakPolarHBondContact O-CG 3.43Å; T240-R244 PolarHBondContact O-N 2.96Å; T240-R244 VanDerWaalsContact O-N 3.11Å
241K70.4Confident68.9Low142 Ų142105.7 Ų105.762%0.61752%0.518SS*.Hα-helixtrans-73.4-43.8175.6-73.3174.7179.9179.70111.8R237 Q238 Q239 R244 T245R237-K241 WeakPolarHBondContact O-CG 3.32Å; R237-K241 PolarHBondContact O-N 2.72Å; Q238-K241 CarbonylContact O-C 3.44Å; Q238-K241 WeakPolarHBondContact O-CA 3.2Å; Q238-K241 WeakPolarHBondContact O-CB 3.47Å; Q238-K241 PolarHBondContact O-N 2.82Å; Q239-K241 VanDerWaalsContact C-N 3.34Å; K241-R244 PolarHBondContact O-N 2.8Å; K241-T245 PolarHBondContact O-N 2.66Å; K241-T245 PolarHBondContact O-OG1 2.87Å
242E66.4Low68.7Low111 Ų111111.1 Ų111.152%0.51954%0.541SS..Hα-helixtrans-64.2-50.2177.1-72.8169.6-178.700110.5Q238 R244 T245 E246Q238-E242 PolarHBondContact O-N 3.32Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 2.93Å; E242-T245 CarbonylContact O-C 3.53Å; E242-T245 WeakPolarHBondContact O-CA 3.16Å; E242-T245 WeakPolarHBondContact O-CB 3.17Å; E242-T245 PolarHBondContact O-N 2.85Å; E242-E246 PolarHBondContact O-N 3.26Å
243S57.2Low68.7Low55 Ų55109 Ų10939%0.38553%0.528SS..Hα-helixtrans-59.5-34.3173.958.20000112.9Q239 T240 T245 S247Q239-S243 WeakPolarHBondContact O-CB 3.42Å; Q239-S243 PolarHBondContact O-N 3.08Å; Q239-S243 PolarHBondContact O-OG 3.2Å; T240-S243 WeakPolarHBondContact CA-OG 3.38Å; T240-S243 PolarHBondContact O-OG 2.87Å; S243-T245 VanDerWaalsContact C-N 3.32Å; S243-S247 WeakPolarHBondContact O-CA 3.47Å; S243-S247 WeakPolarHBondContact O-CB 3.49Å; S243-S247 PolarHBondContact O-N 2.96Å; S243-S247 PolarHBondContact O-OG 2.81Å
244R59.2Low69Low185 Ų185108.9 Ų108.970%0.69853%0.528SS*.Hα-helixtrans-68.8-28.6170.7-81.6175.7175.7-168.6-0113.6T240 K241 E242T240-R244 VanDerWaalsContact O-CB 3.28Å; T240-R244 WeakPolarHBondContact O-CB 3.41Å; T240-R244 WeakPolarHBondContact O-CD 3.39Å; T240-R244 WeakPolarHBondContact O-CG 3.43Å; T240-R244 PolarHBondContact O-N 2.96Å; T240-R244 VanDerWaalsContact O-N 3.11Å; K241-R244 PolarHBondContact O-N 2.8Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 2.93Å
245T57Low69.1Low98 Ų98106.3 Ų106.360%0.60152%0.52SS*.Hα-helixtrans-79.1-40.8178.8-50.20000110.2K241 E242 S243 R248K241-T245 PolarHBondContact O-N 2.66Å; K241-T245 PolarHBondContact O-OG1 2.87Å; E242-T245 CarbonylContact O-C 3.53Å; E242-T245 WeakPolarHBondContact O-CA 3.16Å; E242-T245 WeakPolarHBondContact O-CB 3.17Å; E242-T245 PolarHBondContact O-N 2.85Å; S243-T245 VanDerWaalsContact C-N 3.32Å; T245-R248 PolarHBondContact O-N 3.15Å
246E55.1Low69.2Low161 Ų161110.4 Ų110.475%0.75254%0.54SS*.Hα-helixtrans-72.8-38.5174.5-68176.6177.900112.6E242 R248E242-E246 PolarHBondContact O-N 3.26Å; E246-R248 PolarHBondContact O-N 3.49Å
247S51Low69.5Low72 Ų72112.5 Ų112.550%0.50355%0.548SS..THydrogen-bonded Turntrans-83.229.5171.469.60000113.4S243 V249S243-S247 WeakPolarHBondContact O-CA 3.47Å; S243-S247 WeakPolarHBondContact O-CB 3.49Å; S243-S247 PolarHBondContact O-N 2.96Å; S243-S247 PolarHBondContact O-OG 2.81Å; S247-V249 PolarHBondContact O-N 3.4Å
248R51.9Low69.6Low210 Ų210109.1 Ų109.179%0.79255%0.55SS**  trans-63.674.9143.4-84.7-175.8168.9165.3-2106.8T245 E246 T250T245-R248 PolarHBondContact O-N 3.15Å; E246-R248 PolarHBondContact O-N 3.49Å; R248-T250 PolarHBondContact O-N 3.01Å
249V54.5Low69.9Low112 Ų112112.6 Ų112.668%0.67956%0.559SS**  trans-43.4109.6170.3174.80000104.9S247 T251S247-V249 PolarHBondContact O-N 3.4Å; V249-T251 VanDerWaalsContact C-N 3.34Å; V249-T251 PolarHBondContact O-N 3.49Å
250T59.2Low70.5Confident119 Ų119108 Ų10873%0.7354%0.539SS*.  trans-54.3110.7169.143.50000104.3R248 K252R248-T250 PolarHBondContact O-N 3.01Å; T250-K252 PolarHBondContact O-N 3.07Å
251T65.1Low71.2Confident55 Ų55109.9 Ų109.934%0.33754%0.54SS..  trans-61.9109.7-173.1-60.40000106.1V249 Y253 I263V249-T251 VanDerWaalsContact C-N 3.34Å; V249-T251 PolarHBondContact O-N 3.49Å; T251-Y253 HydrophobicContact CG2-CD1 4.03Å; T251-Y253 HydrophobicContact CG2-CE1 3.57Å; T251-Y253 WeakPolarHBondContact O-CD2 3.13Å; T251-Y253 VanDerWaalsContact O-CE2 3.27Å; T251-Y253 WeakPolarHBondContact O-CE2 3.47Å; T251-Y253 PolarHBondContact O-N 3.47Å; T251-I263 HydrophobicContact CG2-CD1 3.9Å; T251-I263 HydrophobicContact CG2-CG2 4.42Å
252K77.7Confident72.1Confident155 Ų155108.3 Ų108.367%0.67454%0.538SS*.  trans-68102.8177.8-72.5-171.3178-172.80107.2T250 Y261T250-K252 PolarHBondContact O-N 3.07Å; K252-Y261 WeakPolarHBondContact O-CD2 3.46Å
253Y82.9Confident73.2Confident68 Ų68104.3 Ų104.327%0.26752%0.52SS..  trans-81.2-20.9-177.9-64.8-68.5000113.4T251 Y261 I263 V315 Q317T251-Y253 HydrophobicContact CG2-CD1 4.03Å; T251-Y253 HydrophobicContact CG2-CE1 3.57Å; T251-Y253 WeakPolarHBondContact O-CD2 3.13Å; T251-Y253 VanDerWaalsContact O-CE2 3.27Å; T251-Y253 WeakPolarHBondContact O-CE2 3.47Å; T251-Y253 PolarHBondContact O-N 3.47Å; Y253-Y261 PolarHBondContact O-N 2.82Å; Y253-I263 HydrophobicContact CD1-CD1 3.74Å; Y253-I263 HydrophobicContact CE1-CD1 4.36Å; Y253-V315 HydrophobicContact CD1-CG1 4.48Å; Y253-V315 HydrophobicContact CE1-CB 4.06Å; Y253-V315 HydrophobicContact CE1-CG1 3.75Å; Y253-V315 HydrophobicContact CE1-CG2 4.16Å; Y253-Q317 PolarHBondContact O-NE2 2.82Å
254F87.4Confident74.7Confident82 Ų82104.3 Ų104.336%0.3652%0.516SS..BIsolated β-bridgetrans-133.3145.8-174.8-57-83.5000110.4R259 P260 Y261 Y306F254-R259 CarbonylContact C-O 3.56Å; F254-R259 WeakPolarHBondContact CA-O 3.47Å; F254-P260 HydrophobicContact CD1-CB 4.11Å; F254-P260 HydrophobicContact CE1-CB 4.04Å; F254-Y261 VanDerWaalsContact O-CE2 3.31Å; F254-Y261 WeakPolarHBondContact O-CE2 3.27Å; F254-Y306 HydrophobicContact CE1-CD1 4.12Å; F254-Y306 AromaticContact CE1-CE1 3.69Å; F254-Y306 HydrophobicContact CE1-CE1 3.69Å; F254-Y306 AromaticContact CZ-CE1 3.81Å; F254-Y306 HydrophobicContact CZ-CE1 3.81Å; F254-Y306 HydrophobicContact CZ-CE2 4.42Å; F254-Y306 AromaticContact CZ-CZ 3.7Å
255A84.4Confident76Confident21 Ų2198.6 Ų98.617%0.17450%0.501CS..  trans-71.6165.9166.500000110.4D257 G258 R259 Y261A255-D257 WeakPolarHBondContact CB-OD1 3.41Å; A255-D257 PolarHBondContact O-N 3.25Å; A255-G258 PolarHBondContact O-N 3.33Å; A255-R259 HydrophobicContact CB-CB 4.28Å; A255-R259 PolarHBondContact N-O 3.16Å; A255-Y261 HydrophobicContact CB-CE1 4.2Å; A255-Y261 HydrophobicContact CB-CE2 4.03Å; A255-Y261 VanDerWaalsContact N-CE2 3.3Å
256E83.8Confident77.1Confident201 Ų20194.1 Ų94.194%0.93948%0.475SS*.THydrogen-bonded Turntrans-63.6-22.1-178.8-63.8-179.6178.900113G258E256-G258 VanDerWaalsContact C-N 3.32Å
257D85.7Confident78.5Confident101 Ų10195.5 Ų95.554%0.5448%0.478SS..THydrogen-bonded Turntrans-87.13.517567.7-9.2000113.8A255 R259A255-D257 WeakPolarHBondContact CB-OD1 3.41Å; A255-D257 PolarHBondContact O-N 3.25Å; D257-R259 WeakPolarHBondContact OD1-CB 3.48Å; D257-R259 WeakPolarHBondContact OD1-CG 3.49Å; D257-R259 PolarHBondContact OD1-N 3.25Å; D257-R259 WeakPolarHBondContact OD2-CD 3.45Å; D257-R259 WeakPolarHBondContact OD2-CG 3.17Å; D257-R259 IonicContact OD2-CZ 3.44Å; D257-R259 IonicContact OD2-NE 3.81Å; D257-R259 PolarHBondContact OD2-NE 3.47Å
258G83.9Confident80.1Confident50 Ų5092.6 Ų92.652%0.51546%0.457SS..SBendtrans84.90.5-178.300000114.8A255 E256A255-G258 PolarHBondContact O-N 3.33Å; E256-G258 VanDerWaalsContact C-N 3.32Å
259R85.4Confident81.8Confident176 Ų17690 Ų9066%0.66445%0.454SS*.PPolyproline II helixtrans-68.2129.8176.9-68.3178.9-172.7-172.80.2110.8F254 A255 D257F254-R259 CarbonylContact C-O 3.56Å; F254-R259 WeakPolarHBondContact CA-O 3.47Å; A255-R259 HydrophobicContact CB-CB 4.28Å; A255-R259 PolarHBondContact N-O 3.16Å; D257-R259 WeakPolarHBondContact OD1-CB 3.48Å; D257-R259 WeakPolarHBondContact OD1-CG 3.49Å; D257-R259 PolarHBondContact OD1-N 3.25Å; D257-R259 WeakPolarHBondContact OD2-CD 3.45Å; D257-R259 WeakPolarHBondContact OD2-CG 3.17Å; D257-R259 IonicContact OD2-CZ 3.44Å; D257-R259 IonicContact OD2-NE 3.81Å; D257-R259 PolarHBondContact OD2-NE 3.47Å
260P87.9Confident83.6Confident25 Ų2588.5 Ų88.516%0.16244%0.438CS..BIsolated β-bridgetrans-68.4135.3176.325.3-29.9000110.7F254 Y306 A319F254-P260 HydrophobicContact CD1-CB 4.11Å; F254-P260 HydrophobicContact CE1-CB 4.04Å; P260-Y306 HydrophobicContact CB-CD1 4.07Å; P260-Y306 HydrophobicContact CB-CG 4.02Å; P260-Y306 HydrophobicContact CG-CD1 4.27Å; P260-Y306 HydrophobicContact CG-CG 4.39Å; P260-A319 HydrophobicContact CB-CB 4.39Å; P260-A319 HydrophobicContact CG-CB 3.79Å
261Y88.6Confident85Confident109 Ų10987.3 Ų87.343%0.42743%0.427SS..PPolyproline II helixtrans-79.1145.7171.8-74.9-62.4000111.5K252 Y253 F254 A255 I263 Q317K252-Y261 WeakPolarHBondContact O-CD2 3.46Å; Y253-Y261 PolarHBondContact O-N 2.82Å; F254-Y261 VanDerWaalsContact O-CE2 3.31Å; F254-Y261 WeakPolarHBondContact O-CE2 3.27Å; A255-Y261 HydrophobicContact CB-CE1 4.2Å; A255-Y261 HydrophobicContact CB-CE2 4.03Å; A255-Y261 VanDerWaalsContact N-CE2 3.3Å; Y261-I263 PolarHBondContact O-N 2.85Å; Y261-Q317 PolarHBondContact O-NE2 2.8Å
262N89.9Confident86.3Confident109 Ų10987.6 Ų87.658%0.58343%0.427SS*.  trans-80113.7167.1-69.4-23.8000109.2Q317 A319N262-Q317 CarbonylContact C-O 3.12Å; N262-Q317 WeakPolarHBondContact CA-O 3.46Å; N262-A319 WeakPolarHBondContact OD1-CB 3.47Å; N262-A319 PolarHBondContact OD1-N 3.37Å
263I88.7Confident86.9Confident26 Ų2686.9 Ų86.913%0.13342%0.423CS..EExtended strand (participates in β ladder)trans-129126.1-173.8-61.2166.1000108.7T251 Y253 Y261 T265 F316 Q317T251-I263 HydrophobicContact CG2-CD1 3.9Å; T251-I263 HydrophobicContact CG2-CG2 4.42Å; Y253-I263 HydrophobicContact CD1-CD1 3.74Å; Y253-I263 HydrophobicContact CE1-CD1 4.36Å; Y261-I263 PolarHBondContact O-N 2.85Å; I263-T265 HydrophobicContact CG2-CG2 3.57Å; I263-F316 CarbonylContact O-C 3.59Å; I263-F316 VanDerWaalsContact O-CA 3.26Å; I263-F316 WeakPolarHBondContact O-CA 3.3Å; I263-Q317 HydrophobicContact CB-CB 4.22Å; I263-Q317 PolarHBondContact N-O 2.86Å; I263-Q317 PolarHBondContact O-N 2.98Å
264N88.9Confident87.1Confident55 Ų5589.5 Ų89.529%0.29444%0.438SS..EExtended strand (participates in β ladder)trans-128.168173.6-172.52.4000110.2A266 K267 I268 F316N264-A266 PolarHBondContact O-N 2.89Å; N264-K267 PolarHBondContact O-N 3.13Å; N264-K267 WeakPolarHBondContact OD1-CA 3.41Å; N264-K267 PolarHBondContact OD1-N 2.81Å; N264-I268 PolarHBondContact ND2-N 3.18Å; N264-I268 PolarHBondContact ND2-O 2.79Å; N264-I268 PolarHBondContact OD1-N 3.46Å; N264-F316 HydrophobicContact CB-CD2 3.94Å; N264-F316 HydrophobicContact CB-CE2 4.18Å
265T86.2Confident87.2Confident65 Ų6589.7 Ų89.740%0.39944%0.443SS..THydrogen-bonded Turntrans-65.9-23.617863.50000112.4I263 K267 V315I263-T265 HydrophobicContact CG2-CG2 3.57Å; T265-K267 VanDerWaalsContact C-N 3.28Å; T265-K267 PolarHBondContact O-N 2.94Å; T265-V315 PolarHBondContact N-O 3.38Å; T265-V315 VanDerWaalsContact N-O 3.11Å; T265-V315 PolarHBondContact OG1-N 3.18Å; T265-V315 PolarHBondContact OG1-O 3.29Å
266A80.1Confident87.2Confident5 Ų594.4 Ų94.44%0.04146%0.464CS..THydrogen-bonded Turntrans-75-17.717800000113.4N264 I268 K314N264-A266 PolarHBondContact O-N 2.89Å; A266-I268 VanDerWaalsContact C-N 3.28Å; A266-I268 HydrophobicContact CB-CB 4.43Å; A266-I268 HydrophobicContact CB-CD1 3.4Å; A266-I268 HydrophobicContact CB-CG1 3.68Å; A266-I268 PolarHBondContact O-N 2.58Å; A266-K314 HydrophobicContact CB-CB 3.9Å; A266-K314 HydrophobicContact CB-CD 4.27Å
267K84.7Confident86.8Confident190 Ų19088.9 Ų88.983%0.82644%0.44SS*.  trans52.745.6-171.9-60.1-175.8178.1-1770112N264 T265N264-K267 PolarHBondContact O-N 3.13Å; N264-K267 WeakPolarHBondContact OD1-CA 3.41Å; N264-K267 PolarHBondContact OD1-N 2.81Å; T265-K267 VanDerWaalsContact C-N 3.28Å; T265-K267 PolarHBondContact O-N 2.94Å
268I85.3Confident86.2Confident10 Ų1090.5 Ų90.55%0.05145%0.449CS..  trans-97.3143.6-178.6-68.4169000109.9N264 A266 I287 A288 L311N264-I268 PolarHBondContact ND2-N 3.18Å; N264-I268 PolarHBondContact ND2-O 2.79Å; N264-I268 PolarHBondContact OD1-N 3.46Å; A266-I268 VanDerWaalsContact C-N 3.28Å; A266-I268 HydrophobicContact CB-CB 4.43Å; A266-I268 HydrophobicContact CB-CD1 3.4Å; A266-I268 HydrophobicContact CB-CG1 3.68Å; A266-I268 PolarHBondContact O-N 2.58Å; I268-I287 HydrophobicContact CG2-CG2 3.56Å; I268-A288 HydrophobicContact CG2-CB 4.31Å; I268-A288 WeakPolarHBondContact CG2-O 3.46Å; I268-L311 HydrophobicContact CD1-CD1 3.07Å; I268-L311 HydrophobicContact CD1-CG 4.48Å
269E88.2Confident85.9Confident157 Ų15795.7 Ų95.773%0.73447%0.465SS*.  trans-72.8135.5172.4-61.7-179.6177.500110A288E269-A288 HydrophobicContact CB-CB 4.08Å; E269-A288 WeakPolarHBondContact O-CB 3.36Å; E269-A288 PolarHBondContact O-N 2.82Å
270F91Very high85.6Confident79 Ų7992.1 Ų92.135%0.34646%0.456SS..EExtended strand (participates in β ladder)trans-140.6148.7177.569.9-83.9000110L285 D286 I287 F316 L318F270-L285 HydrophobicContact CB-CD1 4.2Å; F270-L285 HydrophobicContact CD2-CD1 3.95Å; F270-D286 CarbonylContact C-O 3.54Å; F270-D286 WeakPolarHBondContact CA-O 3.27Å; F270-I287 HydrophobicContact CB-CG1 4.25Å; F270-F316 HydrophobicContact CB-CE2 4.31Å; F270-F316 HydrophobicContact CB-CZ 3.91Å; F270-F316 AromaticContact CD1-CE2 3.4Å; F270-F316 HydrophobicContact CD1-CE2 3.4Å; F270-F316 VanDerWaalsContact CD1-CE2 3.4Å; F270-F316 AromaticContact CD1-CZ 3.57Å; F270-F316 HydrophobicContact CD1-CZ 3.57Å; F270-F316 AromaticContact CD2-CZ 3.9Å; F270-F316 HydrophobicContact CD2-CZ 3.9Å; F270-F316 AromaticContact CE1-CE2 3.77Å; F270-F316 HydrophobicContact CE1-CE2 3.77Å; F270-F316 HydrophobicContact CE1-CZ 4.01Å; F270-F316 HydrophobicContact CE2-CZ 4.31Å; F270-F316 AromaticContact CG-CE2 3.85Å; F270-F316 HydrophobicContact CG-CE2 3.85Å; F270-F316 AromaticContact CG-CZ 3.5Å; F270-F316 HydrophobicContact CG-CZ 3.5Å; F270-F316 HydrophobicContact CZ-CE2 4.49Å; F270-F316 HydrophobicContact CZ-CZ 4.36Å; F270-L318 HydrophobicContact CD2-CD2 4.27Å; F270-L318 HydrophobicContact CE2-CD1 3.97Å; F270-L318 HydrophobicContact CE2-CD2 4.02Å; F270-L318 HydrophobicContact CZ-CD1 4.15Å
271N90Very high85.6Confident95 Ų9596 Ų9651%0.50847%0.471SS..EExtended strand (participates in β ladder)trans-128120.1173.5-68.9-54.8000108.5L285 D286N271-L285 WeakPolarHBondContact O-CA 3.37Å; N271-D286 HydrophobicContact CB-CB 4.46Å; N271-D286 PolarHBondContact N-O 3.49Å; N271-D286 PolarHBondContact O-N 3.19Å
272L91Very high85.7Confident61 Ų6191.2 Ų91.232%0.31945%0.454SS..EExtended strand (participates in β ladder)trans-99.3121.6170.6-177.269000108.2Y283 L285 L318 M344L272-Y283 HydrophobicContact CD1-CD1 3.94Å; L272-Y283 HydrophobicContact CD1-CG 4.33Å; L272-Y283 HydrophobicContact CD2-CD1 4.2Å; L272-Y283 HydrophobicContact CD2-CE1 4.43Å; L272-Y283 HydrophobicContact CG-CD1 4.11Å; L272-L285 HydrophobicContact CB-CD1 4.24Å; L272-L285 HydrophobicContact CD1-CB 3.86Å; L272-L285 HydrophobicContact CD1-CD1 4.27Å; L272-L318 HydrophobicContact CD2-CD2 4.3Å; L272-M344 HydrophobicContact CD1-CE 4.44Å
273K90.1Very high85.8Confident139 Ų13986 Ų8660%0.60443%0.426SS*.EExtended strand (participates in β ladder)trans-119.4151.4176.4-63.9-179.4-179.4177.40109.7Y283 I284K273-Y283 CarbonylContact O-C 3.24Å; K273-Y283 WeakPolarHBondContact O-CA 3.27Å; K273-I284 PolarHBondContact N-O 2.97Å; K273-I284 PolarHBondContact O-N 3.47Å
274E88.9Confident85.9Confident123 Ų12386.4 Ų86.458%0.57543%0.428SS*.EExtended strand (participates in β ladder)trans-107.1133.6170.2-71.5177.3-136.900108.4V282 Y283 K346E274-V282 WeakPolarHBondContact CA-O 3.16Å; E274-Y283 VanDerWaalsContact CD-CE1 3.46Å; E274-Y283 HydrophobicContact CG-CD1 3.51Å; E274-Y283 HydrophobicContact CG-CE1 3.25Å; E274-Y283 WeakPolarHBondContact OE1-CE1 3.31Å; E274-K346 IonicContact OE2-NZ 3.18Å; E274-K346 PolarHBondContact OE2-NZ 2.79Å
275D87.6Confident86.1Confident87 Ų8783.8 Ų83.847%0.46541%0.414SS..EExtended strand (participates in β ladder)trans-138.9165.4177.8-153.3-10.9000109.8V282 I284D275-V282 HydrophobicContact CB-CG2 3.99Å; D275-V282 PolarHBondContact N-O 2.85Å; D275-V282 VanDerWaalsContact O-CG2 3.32Å; D275-V282 WeakPolarHBondContact O-CG2 3.24Å; D275-V282 PolarHBondContact O-N 2.83Å; D275-I284 HydrophobicContact CB-CD1 3.85Å
276I84.8Confident86.3Confident119 Ų11982.8 Ų82.861%0.6141%0.406SS*.EExtended strand (participates in β ladder)trans-115.6115.6176.9-57.8169.7000107.7E281I276-E281 HydrophobicContact CG1-CG 4.36Å
277L77Confident86.9Confident85 Ų8582.6 Ų82.645%0.44540%0.404SS..EExtended strand (participates in β ladder)trans-126.4125.1-176.4-138.4134.6000108.6N279 H280 V282L277-N279 VanDerWaalsContact C-N 3.31Å; L277-N279 PolarHBondContact O-N 2.7Å; L277-H280 PolarHBondContact N-O 3.15Å; L277-H280 PolarHBondContact O-N 3.45Å; L277-H280 VanDerWaalsContact O-O 3.07Å; L277-V282 HydrophobicContact CB-CG1 4.18Å; L277-V282 HydrophobicContact CB-CG2 3.88Å; L277-V282 HydrophobicContact CD1-CG2 4.46Å
278D72.2Confident87.1Confident136 Ų13674.9 Ų74.973%0.72738%0.376SS*.THydrogen-bonded Turntrans49.345.7-179.3-58.2-33.5000114.2H280D278-H280 PolarHBondContact O-CD2 2.87Å; D278-H280 PolarHBondContact O-N 2.76Å
279N78.2Confident87.1Confident158 Ų15874.7 Ų74.785%0.84538%0.375SS*.THydrogen-bonded Turntrans64.311.9-176.5-56.4-28000115.7L277L277-N279 VanDerWaalsContact C-N 3.31Å; L277-N279 PolarHBondContact O-N 2.7Å
280H79.4Confident86.9Confident102 Ų10272.4 Ų72.447%0.47236%0.361SS..EExtended strand (participates in β ladder)trans-114.5135173.2-65.7-62.3000110.8L277 D278 V282L277-H280 PolarHBondContact N-O 3.15Å; L277-H280 PolarHBondContact O-N 3.45Å; L277-H280 VanDerWaalsContact O-O 3.07Å; D278-H280 PolarHBondContact O-CD2 2.87Å; D278-H280 PolarHBondContact O-N 2.76Å; H280-V282 PolarHBondContact O-N 2.91Å
281E87.1Confident86.4Confident105 Ų10574.9 Ų74.949%0.49137%0.371SS..EExtended strand (participates in β ladder)trans-68.9129.5170.5-68.5-178.7-165.800109.5I276 K346I276-E281 HydrophobicContact CG1-CG 4.36Å; E281-K346 HydrophobicContact CB-CB 4.27Å; E281-K346 HydrophobicContact CB-CD 3.73Å; E281-K346 HydrophobicContact CB-CG 4.01Å; E281-K346 WeakPolarHBondContact O-CB 3.42Å; E281-K346 WeakPolarHBondContact O-CG 3.45Å; E281-K346 PolarHBondContact O-N 2.88Å; E281-K346 VanDerWaalsContact OE2-CD 3.32Å; E281-K346 WeakPolarHBondContact OE2-CD 3.38Å; E281-K346 VanDerWaalsContact OE2-CE 3.32Å; E281-K346 WeakPolarHBondContact OE2-CE 3.32Å; E281-K346 IonicContact OE2-NZ 3.11Å; E281-K346 PolarHBondContact OE2-NZ 3.41Å
282V90.8Very high86Confident9 Ų978.3 Ų78.36%0.05538%0.384CS..EExtended strand (participates in β ladder)trans-125.4139.4-179.1-65.40000110.7E274 D275 L277 H280 I284 T343 M344 P345E274-V282 WeakPolarHBondContact CA-O 3.16Å; D275-V282 HydrophobicContact CB-CG2 3.99Å; D275-V282 PolarHBondContact N-O 2.85Å; D275-V282 VanDerWaalsContact O-CG2 3.32Å; D275-V282 WeakPolarHBondContact O-CG2 3.24Å; D275-V282 PolarHBondContact O-N 2.83Å; L277-V282 HydrophobicContact CB-CG1 4.18Å; L277-V282 HydrophobicContact CB-CG2 3.88Å; L277-V282 HydrophobicContact CD1-CG2 4.46Å; H280-V282 PolarHBondContact O-N 2.91Å; V282-I284 HydrophobicContact CG2-CG1 4.41Å; V282-T343 HydrophobicContact CB-CG2 4.4Å; V282-M344 CarbonylContact C-O 3.6Å; V282-M344 WeakPolarHBondContact CA-O 3.26Å; V282-P345 HydrophobicContact CG1-CB 4.04Å
283Y91.5Very high85.7Confident1 Ų176.4 Ų76.40%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-87.5130.2164.3-74.6-69.4000109.8L272 K273 E274 P321 D322 V324 T343 M344 K346L272-Y283 HydrophobicContact CD1-CD1 3.94Å; L272-Y283 HydrophobicContact CD1-CG 4.33Å; L272-Y283 HydrophobicContact CD2-CD1 4.2Å; L272-Y283 HydrophobicContact CD2-CE1 4.43Å; L272-Y283 HydrophobicContact CG-CD1 4.11Å; K273-Y283 CarbonylContact O-C 3.24Å; K273-Y283 WeakPolarHBondContact O-CA 3.27Å; E274-Y283 VanDerWaalsContact CD-CE1 3.46Å; E274-Y283 HydrophobicContact CG-CD1 3.51Å; E274-Y283 HydrophobicContact CG-CE1 3.25Å; E274-Y283 WeakPolarHBondContact OE1-CE1 3.31Å; Y283-P321 HydrophobicContact CE1-CG 4.15Å; Y283-P321 WeakPolarHBondContact OH-CG 3.46Å; Y283-D322 HydrophobicContact CE2-CB 4.12Å; Y283-D322 PolarHBondContact OH-OD2 3.4Å; Y283-V324 HydrophobicContact CD2-CG1 3.72Å; Y283-V324 HydrophobicContact CE2-CG1 4.22Å; Y283-T343 CarbonylContact O-C 3.53Å; Y283-T343 WeakPolarHBondContact O-CA 3.38Å; Y283-M344 PolarHBondContact N-O 3.5Å; Y283-M344 PolarHBondContact O-N 3.05Å; Y283-K346 HydrophobicContact CD2-CD 4.43Å; Y283-K346 HydrophobicContact CD2-CG 3.85Å; Y283-K346 HydrophobicContact CE2-CD 3.75Å; Y283-K346 VanDerWaalsContact CE2-CE 3.46Å; Y283-K346 HydrophobicContact CE2-CG 3.59Å; Y283-K346 WeakPolarHBondContact OH-CE 3.07Å; Y283-K346 PolarHBondContact OH-NZ 3.39Å
284I91.3Very high85.5Confident34 Ų3474.2 Ų74.217%0.17437%0.368CS..EExtended strand (participates in β ladder)trans-113.6107.5172.9-58177.2000107.6K273 D275 V282 L341 I342K273-I284 PolarHBondContact N-O 2.97Å; K273-I284 PolarHBondContact O-N 3.47Å; D275-I284 HydrophobicContact CB-CD1 3.85Å; V282-I284 HydrophobicContact CG2-CG1 4.41Å; I284-L341 HydrophobicContact CG2-CD1 3.35Å; I284-L341 HydrophobicContact CG2-CG 4.12Å; I284-I342 WeakPolarHBondContact CA-O 3.47Å
285L92.1Very high85.2Confident0 Ų072.8 Ų72.80%037%0.368CS..EExtended strand (participates in β ladder)trans-101.8110.4176.6175.262.4000109.4F270 N271 L272 I287 V307 F316 L318 I342 M344F270-L285 HydrophobicContact CB-CD1 4.2Å; F270-L285 HydrophobicContact CD2-CD1 3.95Å; N271-L285 WeakPolarHBondContact O-CA 3.37Å; L272-L285 HydrophobicContact CB-CD1 4.24Å; L272-L285 HydrophobicContact CD1-CB 3.86Å; L272-L285 HydrophobicContact CD1-CD1 4.27Å; L285-I287 HydrophobicContact CD1-CG1 4.22Å; L285-I287 HydrophobicContact CD2-CD1 4.01Å; L285-I287 HydrophobicContact CD2-CG1 4.36Å; L285-I287 HydrophobicContact CG-CD1 4.11Å; L285-I287 HydrophobicContact CG-CG1 3.92Å; L285-V307 HydrophobicContact CD2-CB 4.34Å; L285-V307 HydrophobicContact CD2-CG1 4.19Å; L285-V307 HydrophobicContact CD2-CG2 4.46Å; L285-F316 HydrophobicContact CD2-CE1 4.37Å; L285-L318 HydrophobicContact CD1-CD2 4.04Å; L285-L318 HydrophobicContact CD2-CD2 4.29Å; L285-I342 HydrophobicContact CB-CB 4.2Å; L285-I342 HydrophobicContact CD2-CD1 4.26Å; L285-I342 PolarHBondContact N-O 2.99Å; L285-I342 PolarHBondContact O-N 2.84Å; L285-M344 HydrophobicContact CB-CE 4.03Å
286D91.6Very high85.1Confident44 Ų4472.7 Ų72.724%0.23538%0.38CS..EExtended strand (participates in β ladder)trans-97.3121.2174.2179.28.5000109.4F270 N271 H339 L341F270-D286 CarbonylContact C-O 3.54Å; F270-D286 WeakPolarHBondContact CA-O 3.27Å; N271-D286 HydrophobicContact CB-CB 4.46Å; N271-D286 PolarHBondContact N-O 3.49Å; N271-D286 PolarHBondContact O-N 3.19Å; D286-H339 WeakPolarHBondContact OD1-CB 3.45Å; D286-H339 IonicContact OD1-CE1 2.65Å; D286-H339 IonicContact OD1-CG 2.89Å; D286-H339 IonicContact OD1-ND1 2.99Å; D286-H339 PolarHBondContact OD1-ND1 3.24Å; D286-H339 IonicContact OD2-ND1 3.33Å; D286-H339 PolarHBondContact OD2-ND1 3.43Å; D286-L341 HydrophobicContact CB-CD1 4.2Å
287I91.7Very high85.2Confident0 Ų071.2 Ų71.20%037%0.372CS..EExtended strand (participates in β ladder)trans-117.3123.1-179.8-56.9175.1000108.5I268 F270 L285 V289 V309 F316 H339 L340 I342I268-I287 HydrophobicContact CG2-CG2 3.56Å; F270-I287 HydrophobicContact CB-CG1 4.25Å; L285-I287 HydrophobicContact CD1-CG1 4.22Å; L285-I287 HydrophobicContact CD2-CD1 4.01Å; L285-I287 HydrophobicContact CD2-CG1 4.36Å; L285-I287 HydrophobicContact CG-CD1 4.11Å; L285-I287 HydrophobicContact CG-CG1 3.92Å; I287-V289 HydrophobicContact CB-CG2 4.23Å; I287-V289 HydrophobicContact CG2-CG2 3.77Å; I287-V289 PolarHBondContact O-N 2.77Å; I287-V309 HydrophobicContact CD1-CB 4.38Å; I287-V309 HydrophobicContact CD1-CG2 3.71Å; I287-F316 HydrophobicContact CD1-CD1 3.91Å; I287-F316 HydrophobicContact CD1-CE1 3.86Å; I287-F316 HydrophobicContact CG1-CE1 4.43Å; I287-H339 WeakPolarHBondContact O-CA 3.47Å; I287-L340 HydrophobicContact CB-CB 4.33Å; I287-L340 PolarHBondContact N-O 2.85Å; I287-L340 PolarHBondContact O-N 2.81Å; I287-I342 HydrophobicContact CD1-CD1 3.98Å
288A89Confident85.8Confident28 Ų2868.4 Ų68.423%0.23136%0.358CS..  trans-75.371.5178.300000111.5I268 E269I268-A288 HydrophobicContact CG2-CB 4.31Å; I268-A288 WeakPolarHBondContact CG2-O 3.46Å; E269-A288 HydrophobicContact CB-CB 4.08Å; E269-A288 WeakPolarHBondContact O-CB 3.36Å; E269-A288 PolarHBondContact O-N 2.82Å
289V86.5Confident86.7Confident7 Ų769.2 Ų69.24%0.04236%0.355CS..  trans-69.4152.3177.8-176.40000110.5I287 K291 M293 I298 L311 L340I287-V289 HydrophobicContact CB-CG2 4.23Å; I287-V289 HydrophobicContact CG2-CG2 3.77Å; I287-V289 PolarHBondContact O-N 2.77Å; V289-K291 PolarHBondContact O-N 2.7Å; V289-M293 HydrophobicContact CB-CE 4.47Å; V289-M293 HydrophobicContact CG1-CE 3.03Å; V289-I298 HydrophobicContact CG1-CD1 3.93Å; V289-L311 HydrophobicContact CG1-CD1 4.4Å; V289-L311 HydrophobicContact CG1-CD2 4.07Å; V289-L311 HydrophobicContact CG2-CD1 4.22Å; V289-L311 HydrophobicContact CG2-CD2 4.36Å; V289-L340 HydrophobicContact CB-CB 4.47Å; V289-L340 HydrophobicContact CG2-CB 3.55Å; V289-L340 HydrophobicContact CG2-CD2 4.32Å
290Y83.7Confident87.3Confident109 Ų10963.7 Ų63.743%0.42733%0.328SS..  trans-57.6127.9-179.7-50-63.4000111.8H292 M293Y290-H292 VanDerWaalsContact C-N 3.28Å; Y290-H292 PolarHBondContact O-N 3.11Å; Y290-H292 VanDerWaalsContact O-N 3.07Å; Y290-M293 HydrophobicContact CD2-CE 3.59Å; Y290-M293 HydrophobicContact CD2-SD 3.86Å; Y290-M293 HydrophobicContact CE2-CE 4.35Å; Y290-M293 HydrophobicContact CG-CE 4.41Å; Y290-M293 WeakPolarHBondContact O-CB 3.09Å; Y290-M293 PolarHBondContact O-N 2.86Å
291K81Confident87.9Confident131 Ų13161.3 Ų61.357%0.5732%0.319SS*.THydrogen-bonded Turntrans-43.9-47-172.6-168.4176.6178.9-174.60114.2V289 R333V289-K291 PolarHBondContact O-N 2.7Å; K291-R333 PolarHBondContact O-NH2 2.9Å; K291-R333 VanDerWaalsContact O-NH2 3.07Å
292H81.6Confident88.2Confident167 Ų16757.6 Ų57.677%0.77330%0.302SS*.THydrogen-bonded Turntrans-107.622.2-175-53.3-68.7000114.4Y290Y290-H292 VanDerWaalsContact C-N 3.28Å; Y290-H292 PolarHBondContact O-N 3.11Å; Y290-H292 VanDerWaalsContact O-N 3.07Å
293M84.4Confident88.2Confident20 Ų2060.8 Ų60.810%0.09932%0.317CS..  trans-69.2148.9176.2-174146.252.800111.1V289 Y290 L297 I298 L311 R333V289-M293 HydrophobicContact CB-CE 4.47Å; V289-M293 HydrophobicContact CG1-CE 3.03Å; Y290-M293 HydrophobicContact CD2-CE 3.59Å; Y290-M293 HydrophobicContact CD2-SD 3.86Å; Y290-M293 HydrophobicContact CE2-CE 4.35Å; Y290-M293 HydrophobicContact CG-CE 4.41Å; Y290-M293 WeakPolarHBondContact O-CB 3.09Å; Y290-M293 PolarHBondContact O-N 2.86Å; M293-L297 HydrophobicContact CG-CB 4.18Å; M293-L297 HydrophobicContact SD-CB 4.43Å; M293-I298 HydrophobicContact CE-CD1 4.24Å; M293-I298 HydrophobicContact CE-CG1 4.03Å; M293-I298 HydrophobicContact CG-CD1 4.43Å; M293-I298 HydrophobicContact CG-CG1 4.23Å; M293-L311 HydrophobicContact CE-CB 3.95Å; M293-L311 HydrophobicContact CE-CD1 4.3Å; M293-L311 HydrophobicContact CE-CD2 3.64Å; M293-L311 HydrophobicContact CE-CG 4.16Å; M293-L311 HydrophobicContact SD-CB 4.4Å; M293-R333 PolarHBondContact O-NH1 2.85Å; M293-R333 PolarHBondContact O-NH2 2.78Å
294D84.3Confident88.1Confident93 Ų9363.8 Ų63.850%0.49734%0.335SS..  trans-75.9141.9172.9-169.5-10.2000110.4A296 L297D294-A296 PolarHBondContact O-N 2.77Å; D294-A296 PolarHBondContact OD1-N 2.78Å; D294-A296 VanDerWaalsContact OD1-N 3.15Å; D294-L297 HydrophobicContact CB-CD1 4.19Å; D294-L297 HydrophobicContact CB-CG 4.21Å; D294-L297 PolarHBondContact O-N 2.74Å; D294-L297 VanDerWaalsContact O-N 3.14Å
295T84Confident88.1Confident93 Ų9365.9 Ų65.957%0.57135%0.346SS*.G310 helixtrans-61.8-30.3173.951.40000111.7L297 I298T295-L297 PolarHBondContact O-N 2.85Å; T295-I298 PolarHBondContact O-N 2.71Å; T295-I298 VanDerWaalsContact O-N 3.08Å
296A86Confident88.2Confident85 Ų8567.5 Ų67.570%0.70235%0.353SS*.G310 helixtrans-62.9-23175.500000113.6D294 I298D294-A296 PolarHBondContact O-N 2.77Å; D294-A296 PolarHBondContact OD1-N 2.78Å; D294-A296 VanDerWaalsContact OD1-N 3.15Å; A296-I298 VanDerWaalsContact C-N 3.35Å
297L86.3Confident88.2Confident88 Ų8865.4 Ų65.446%0.46134%0.341SS..G310 helixtrans-90.90.4178.7-63.6175.7000113.4M293 D294 T295 K312M293-L297 HydrophobicContact CG-CB 4.18Å; M293-L297 HydrophobicContact SD-CB 4.43Å; D294-L297 HydrophobicContact CB-CD1 4.19Å; D294-L297 HydrophobicContact CB-CG 4.21Å; D294-L297 PolarHBondContact O-N 2.74Å; D294-L297 VanDerWaalsContact O-N 3.14Å; T295-L297 PolarHBondContact O-N 2.85Å; L297-K312 PolarHBondContact O-N 2.98Å
298I89.1Confident88.3Confident26 Ų2667.5 Ų67.513%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-110.6113.7-178.6-56.6174.2000107.7V289 M293 T295 A296 V309 L311 L340V289-I298 HydrophobicContact CG1-CD1 3.93Å; M293-I298 HydrophobicContact CE-CD1 4.24Å; M293-I298 HydrophobicContact CE-CG1 4.03Å; M293-I298 HydrophobicContact CG-CD1 4.43Å; M293-I298 HydrophobicContact CG-CG1 4.23Å; T295-I298 PolarHBondContact O-N 2.71Å; T295-I298 VanDerWaalsContact O-N 3.08Å; A296-I298 VanDerWaalsContact C-N 3.35Å; I298-V309 HydrophobicContact CG2-CG1 4.39Å; I298-L311 HydrophobicContact CB-CD2 4.06Å; I298-L311 HydrophobicContact CD1-CD2 4.43Å; I298-L311 HydrophobicContact CG1-CD2 3.69Å; I298-L311 HydrophobicContact CG2-CD2 3.72Å; I298-L340 HydrophobicContact CG2-CD2 4.31Å
299K90.5Very high88.4Confident153 Ų15366.1 Ų66.167%0.66534%0.338SS*.EExtended strand (participates in β ladder)trans-113.5119.9172-172.7174.1-178.5176.70109.6V309 T310K299-V309 CarbonylContact O-C 3.57Å; K299-V309 WeakPolarHBondContact O-CA 3.41Å; K299-T310 PolarHBondContact N-O 2.75Å; K299-T310 PolarHBondContact O-N 2.82Å
300C91.2Very high88.6Confident43 Ų4367.6 Ų67.629%0.29135%0.347SS..EExtended strand (participates in β ladder)trans-108.2132.7176.1-60.30000109.2R308 V331 L340C300-R308 CarbonylContact C-O 3.47Å; C300-V331 HydrophobicContact CB-CG2 4.14Å; C300-L340 VanDerWaalsContact SG-CD2 3.56Å
301D92.4Very high88.9Confident51 Ų5162.5 Ų62.527%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-130.3118.4177.517923.5000107.2Q303 R308D301-Q303 PolarHBondContact OD1-NE2 2.86Å; D301-R308 HydrophobicContact CB-CB 4.31Å; D301-R308 PolarHBondContact N-O 2.84Å; D301-R308 PolarHBondContact O-N 2.92Å
302I92.4Very high89.1Confident27 Ų2764.2 Ų64.214%0.13834%0.335CS..EExtended strand (participates in β ladder)trans-113.4119.6-176.8-57.7173.4000106.5V307 A326 V331 I342 M344I302-V307 HydrophobicContact CG1-CG1 4.44Å; I302-A326 HydrophobicContact CG2-CB 4.25Å; I302-A326 WeakPolarHBondContact O-CB 3.48Å; I302-V331 HydrophobicContact CD1-CG2 3.69Å; I302-I342 HydrophobicContact CD1-CG2 3.65Å; I302-I342 HydrophobicContact CG1-CG2 4.35Å; I302-M344 HydrophobicContact CG2-CG 4.24Å; I302-M344 HydrophobicContact CG2-SD 4.09Å
303Q91.4Very high89.3Confident77 Ų7759.5 Ų59.536%0.3633%0.331SS..EExtended strand (participates in β ladder)trans-119.8164.5178.7-61.8-64.5-34.700108.9D301 N305 Y306D301-Q303 PolarHBondContact OD1-NE2 2.86Å; Q303-N305 PolarHBondContact O-N 2.84Å; Q303-N305 VanDerWaalsContact O-N 3.14Å; Q303-Y306 CarbonylContact C-O 3.57Å; Q303-Y306 WeakPolarHBondContact CA-O 3.32Å; Q303-Y306 HydrophobicContact CB-CD1 3.85Å; Q303-Y306 HydrophobicContact CB-CD2 4.43Å; Q303-Y306 HydrophobicContact CB-CE1 3.61Å; Q303-Y306 HydrophobicContact CB-CE2 4.24Å; Q303-Y306 HydrophobicContact CB-CG 4.25Å; Q303-Y306 WeakPolarHBondContact CB-O 3.34Å; Q303-Y306 HydrophobicContact CG-CD1 4.43Å; Q303-Y306 HydrophobicContact CG-CE1 3.78Å; Q303-Y306 HydrophobicContact CG-CE2 3.89Å; Q303-Y306 VanDerWaalsContact CG-CZ 3.48Å; Q303-Y306 PolarHBondContact N-O 2.82Å; Q303-Y306 PolarHBondContact O-N 2.81Å; Q303-Y306 VanDerWaalsContact O-O 3.04Å
304V90.3Very high89.5Confident64 Ų6463.3 Ų63.339%0.38835%0.347SS..THydrogen-bonded Turntrans-54.8-38.5-174.1-172.90000112.4E323 V324V304-E323 HydrophobicContact CG1-CB 3.76Å; V304-E323 HydrophobicContact CG1-CG 4.01Å; V304-E323 WeakPolarHBondContact O-CA 3.44Å; V304-V324 PolarHBondContact O-N 2.91Å
305N91.6Very high89.7Confident77 Ų7759.4 Ų59.441%0.41233%0.326SS..THydrogen-bonded Turntrans-114-1.4-174-63.6-5.3000114.1Q303 L320Q303-N305 PolarHBondContact O-N 2.84Å; Q303-N305 VanDerWaalsContact O-N 3.14Å; N305-L320 PolarHBondContact O-N 2.76Å
306Y93.3Very high90.1Very high35 Ų3555 Ų5514%0.13730%0.3CS..EExtended strand (participates in β ladder)trans-158.3156.8179.370.3-87.8000113.1F254 P260 Q303 R308 Q317 L318F254-Y306 HydrophobicContact CE1-CD1 4.12Å; F254-Y306 AromaticContact CE1-CE1 3.69Å; F254-Y306 HydrophobicContact CE1-CE1 3.69Å; F254-Y306 AromaticContact CZ-CE1 3.81Å; F254-Y306 HydrophobicContact CZ-CE1 3.81Å; F254-Y306 HydrophobicContact CZ-CE2 4.42Å; F254-Y306 AromaticContact CZ-CZ 3.7Å; P260-Y306 HydrophobicContact CB-CD1 4.07Å; P260-Y306 HydrophobicContact CB-CG 4.02Å; P260-Y306 HydrophobicContact CG-CD1 4.27Å; P260-Y306 HydrophobicContact CG-CG 4.39Å; Q303-Y306 CarbonylContact C-O 3.57Å; Q303-Y306 WeakPolarHBondContact CA-O 3.32Å; Q303-Y306 HydrophobicContact CB-CD1 3.85Å; Q303-Y306 HydrophobicContact CB-CD2 4.43Å; Q303-Y306 HydrophobicContact CB-CE1 3.61Å; Q303-Y306 HydrophobicContact CB-CE2 4.24Å; Q303-Y306 HydrophobicContact CB-CG 4.25Å; Q303-Y306 WeakPolarHBondContact CB-O 3.34Å; Q303-Y306 HydrophobicContact CG-CD1 4.43Å; Q303-Y306 HydrophobicContact CG-CE1 3.78Å; Q303-Y306 HydrophobicContact CG-CE2 3.89Å; Q303-Y306 VanDerWaalsContact CG-CZ 3.48Å; Q303-Y306 PolarHBondContact N-O 2.82Å; Q303-Y306 PolarHBondContact O-N 2.81Å; Q303-Y306 VanDerWaalsContact O-O 3.04Å; Y306-R308 HydrophobicContact CD2-CB 4.27Å; Y306-R308 HydrophobicContact CE2-CB 4.12Å; Y306-Q317 HydrophobicContact CD2-CG 4.06Å; Y306-L318 CarbonylContact C-O 3.39Å; Y306-L318 VanDerWaalsContact CA-O 3.26Å; Y306-L318 WeakPolarHBondContact CA-O 3.48Å; Y306-L318 WeakPolarHBondContact CB-O 3.38Å
307V92.4Very high90.4Very high0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-114.1134.9169.8-176.50000109L285 I302 V309 Q317 L318 L320 I342 M344L285-V307 HydrophobicContact CD2-CB 4.34Å; L285-V307 HydrophobicContact CD2-CG1 4.19Å; L285-V307 HydrophobicContact CD2-CG2 4.46Å; I302-V307 HydrophobicContact CG1-CG1 4.44Å; V307-V309 HydrophobicContact CG1-CG2 4.14Å; V307-Q317 CarbonylContact O-C 3.56Å; V307-Q317 VanDerWaalsContact O-CA 3.27Å; V307-Q317 WeakPolarHBondContact O-CA 3.46Å; V307-L318 PolarHBondContact N-O 3.48Å; V307-L318 PolarHBondContact O-N 3.29Å; V307-L320 HydrophobicContact CG2-CD1 3.92Å; V307-L320 HydrophobicContact CG2-CD2 4.02Å; V307-L320 HydrophobicContact CG2-CG 4.17Å; V307-I342 HydrophobicContact CG1-CD1 3.91Å; V307-M344 HydrophobicContact CG2-CE 3.84Å; V307-M344 HydrophobicContact CG2-SD 3.18Å; V307-M344 WeakPolarHBondContact CG2-SD 3.15Å
308R91.9Very high90.7Very high43 Ų4347.7 Ų47.716%0.16225%0.249CC..EExtended strand (participates in β ladder)trans-123.8125173.1-174.5-176.2-68.51643.4110.6C300 D301 Y306 V315 F316 Q317C300-R308 CarbonylContact C-O 3.47Å; D301-R308 HydrophobicContact CB-CB 4.31Å; D301-R308 PolarHBondContact N-O 2.84Å; D301-R308 PolarHBondContact O-N 2.92Å; Y306-R308 HydrophobicContact CD2-CB 4.27Å; Y306-R308 HydrophobicContact CE2-CB 4.12Å; R308-V315 HydrophobicContact CG-CG1 3.58Å; R308-F316 CarbonylContact C-O 3.56Å; R308-F316 VanDerWaalsContact CA-O 3.31Å; R308-F316 WeakPolarHBondContact CA-O 3.18Å; R308-Q317 HydrophobicContact CB-CG 4.5Å; R308-Q317 VanDerWaalsContact CZ-OE1 3.31Å
309V92.2Very high90.8Very high0 Ų047.8 Ų47.80%025%0.254CS..EExtended strand (participates in β ladder)trans-119.5120.8174.4-174.60000108.9I287 I298 K299 V307 L311 F316 L340 I342I287-V309 HydrophobicContact CD1-CB 4.38Å; I287-V309 HydrophobicContact CD1-CG2 3.71Å; I298-V309 HydrophobicContact CG2-CG1 4.39Å; K299-V309 CarbonylContact O-C 3.57Å; K299-V309 WeakPolarHBondContact O-CA 3.41Å; V307-V309 HydrophobicContact CG1-CG2 4.14Å; V309-L311 HydrophobicContact CG1-CD1 4.39Å; V309-L311 HydrophobicContact CG1-CD2 3.72Å; V309-L311 HydrophobicContact CG1-CG 3.94Å; V309-F316 HydrophobicContact CB-CB 4.34Å; V309-F316 HydrophobicContact CB-CD1 4.4Å; V309-F316 HydrophobicContact CG2-CD1 4.47Å; V309-F316 PolarHBondContact N-O 2.82Å; V309-F316 PolarHBondContact O-N 2.78Å; V309-L340 HydrophobicContact CG1-CD2 3.99Å; V309-L340 HydrophobicContact CG2-CD2 4.4Å; V309-I342 HydrophobicContact CG2-CD1 3.83Å
310T91.4Very high90.8Very high38 Ų3841.2 Ų41.223%0.23323%0.226CC..EExtended strand (participates in β ladder)trans-105.9120.6177.1-51.70000109.4K299 K314 V315K299-T310 PolarHBondContact N-O 2.75Å; K299-T310 PolarHBondContact O-N 2.82Å; T310-K314 CarbonylContact C-O 3.48Å; T310-K314 WeakPolarHBondContact CA-O 3.31Å; T310-V315 HydrophobicContact CG2-CG2 4.19Å
311L88.8Confident90.6Very high2 Ų243.4 Ų43.41%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-122.1109.1-176-57.1172.3000109.2I268 V289 M293 I298 V309 G313 K314I268-L311 HydrophobicContact CD1-CD1 3.07Å; I268-L311 HydrophobicContact CD1-CG 4.48Å; V289-L311 HydrophobicContact CG1-CD1 4.4Å; V289-L311 HydrophobicContact CG1-CD2 4.07Å; V289-L311 HydrophobicContact CG2-CD1 4.22Å; V289-L311 HydrophobicContact CG2-CD2 4.36Å; M293-L311 HydrophobicContact CE-CB 3.95Å; M293-L311 HydrophobicContact CE-CD1 4.3Å; M293-L311 HydrophobicContact CE-CD2 3.64Å; M293-L311 HydrophobicContact CE-CG 4.16Å; M293-L311 HydrophobicContact SD-CB 4.4Å; I298-L311 HydrophobicContact CB-CD2 4.06Å; I298-L311 HydrophobicContact CD1-CD2 4.43Å; I298-L311 HydrophobicContact CG1-CD2 3.69Å; I298-L311 HydrophobicContact CG2-CD2 3.72Å; V309-L311 HydrophobicContact CG1-CD1 4.39Å; V309-L311 HydrophobicContact CG1-CD2 3.72Å; V309-L311 HydrophobicContact CG1-CG 3.94Å; L311-G313 PolarHBondContact O-N 2.97Å; L311-G313 VanDerWaalsContact O-N 3.13Å; L311-K314 PolarHBondContact N-O 3.39Å; L311-K314 WeakPolarHBondContact O-CB 3.26Å; L311-K314 PolarHBondContact O-N 2.88Å
312K86.4Confident90.4Very high167 Ų16742.7 Ų42.773%0.72624%0.236SC*.THydrogen-bonded Turntrans47.843.1-177.8-163-179.6178.2172.80112.5L297 K314L297-K312 PolarHBondContact O-N 2.98Å; K312-K314 VanDerWaalsContact C-N 3.3Å; K312-K314 PolarHBondContact O-N 2.8Å
313G84.2Confident90.3Very high67 Ų6747.1 Ų47.169%0.69126%0.256SS*.THydrogen-bonded Turntrans80.1-5.4-17900000116.1L311L311-G313 PolarHBondContact O-N 2.97Å; L311-G313 VanDerWaalsContact O-N 3.13Å
314K88.6Confident90.3Very high100 Ų10043.6 Ų43.644%0.43524%0.239SC..EExtended strand (participates in β ladder)trans-89.4129171.4-59.1-172.4-171.4172.70109.9A266 T310 L311 K312A266-K314 HydrophobicContact CB-CB 3.9Å; A266-K314 HydrophobicContact CB-CD 4.27Å; T310-K314 CarbonylContact C-O 3.48Å; T310-K314 WeakPolarHBondContact CA-O 3.31Å; L311-K314 PolarHBondContact N-O 3.39Å; L311-K314 WeakPolarHBondContact O-CB 3.26Å; L311-K314 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact C-N 3.3Å; K312-K314 PolarHBondContact O-N 2.8Å
315V89.6Confident90.3Very high11 Ų1145.9 Ų45.97%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-96.7130.7-178.7-175.70000111.1Y253 T265 R308 T310 Q317Y253-V315 HydrophobicContact CD1-CG1 4.48Å; Y253-V315 HydrophobicContact CE1-CB 4.06Å; Y253-V315 HydrophobicContact CE1-CG1 3.75Å; Y253-V315 HydrophobicContact CE1-CG2 4.16Å; T265-V315 PolarHBondContact N-O 3.38Å; T265-V315 VanDerWaalsContact N-O 3.11Å; T265-V315 PolarHBondContact OG1-N 3.18Å; T265-V315 PolarHBondContact OG1-O 3.29Å; R308-V315 HydrophobicContact CG-CG1 3.58Å; T310-V315 HydrophobicContact CG2-CG2 4.19Å; V315-Q317 HydrophobicContact CG1-CB 4.46Å
316F91.9Very high90.2Very high2 Ų243.9 Ų43.91%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-107.3121.5162.4177.8-95.7000107.5I263 N264 F270 L285 I287 R308 V309 L318I263-F316 CarbonylContact O-C 3.59Å; I263-F316 VanDerWaalsContact O-CA 3.26Å; I263-F316 WeakPolarHBondContact O-CA 3.3Å; N264-F316 HydrophobicContact CB-CD2 3.94Å; N264-F316 HydrophobicContact CB-CE2 4.18Å; F270-F316 HydrophobicContact CB-CE2 4.31Å; F270-F316 HydrophobicContact CB-CZ 3.91Å; F270-F316 AromaticContact CD1-CE2 3.4Å; F270-F316 HydrophobicContact CD1-CE2 3.4Å; F270-F316 VanDerWaalsContact CD1-CE2 3.4Å; F270-F316 AromaticContact CD1-CZ 3.57Å; F270-F316 HydrophobicContact CD1-CZ 3.57Å; F270-F316 AromaticContact CD2-CZ 3.9Å; F270-F316 HydrophobicContact CD2-CZ 3.9Å; F270-F316 AromaticContact CE1-CE2 3.77Å; F270-F316 HydrophobicContact CE1-CE2 3.77Å; F270-F316 HydrophobicContact CE1-CZ 4.01Å; F270-F316 HydrophobicContact CE2-CZ 4.31Å; F270-F316 AromaticContact CG-CE2 3.85Å; F270-F316 HydrophobicContact CG-CE2 3.85Å; F270-F316 AromaticContact CG-CZ 3.5Å; F270-F316 HydrophobicContact CG-CZ 3.5Å; F270-F316 HydrophobicContact CZ-CE2 4.49Å; F270-F316 HydrophobicContact CZ-CZ 4.36Å; L285-F316 HydrophobicContact CD2-CE1 4.37Å; I287-F316 HydrophobicContact CD1-CD1 3.91Å; I287-F316 HydrophobicContact CD1-CE1 3.86Å; I287-F316 HydrophobicContact CG1-CE1 4.43Å; R308-F316 CarbonylContact C-O 3.56Å; R308-F316 VanDerWaalsContact CA-O 3.31Å; R308-F316 WeakPolarHBondContact CA-O 3.18Å; V309-F316 HydrophobicContact CB-CB 4.34Å; V309-F316 HydrophobicContact CB-CD1 4.4Å; V309-F316 HydrophobicContact CG2-CD1 4.47Å; V309-F316 PolarHBondContact N-O 2.82Å; V309-F316 PolarHBondContact O-N 2.78Å; F316-L318 HydrophobicContact CE1-CB 4.04Å; F316-L318 HydrophobicContact CZ-CB 4.24Å
317Q92.3Very high90Very high1 Ų147.9 Ų47.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-130132.2176.3-173.2178.4-64.400108.8Y253 Y261 N262 I263 Y306 V307 R308 V315Y253-Q317 PolarHBondContact O-NE2 2.82Å; Y261-Q317 PolarHBondContact O-NE2 2.8Å; N262-Q317 CarbonylContact C-O 3.12Å; N262-Q317 WeakPolarHBondContact CA-O 3.46Å; I263-Q317 HydrophobicContact CB-CB 4.22Å; I263-Q317 PolarHBondContact N-O 2.86Å; I263-Q317 PolarHBondContact O-N 2.98Å; Y306-Q317 HydrophobicContact CD2-CG 4.06Å; V307-Q317 CarbonylContact O-C 3.56Å; V307-Q317 VanDerWaalsContact O-CA 3.27Å; V307-Q317 WeakPolarHBondContact O-CA 3.46Å; R308-Q317 HydrophobicContact CB-CG 4.5Å; R308-Q317 VanDerWaalsContact CZ-OE1 3.31Å; V315-Q317 HydrophobicContact CG1-CB 4.46Å
318L92.1Very high89.8Confident17 Ų1749.3 Ų49.39%0.08927%0.271CS..EExtended strand (participates in β ladder)trans-130.1123.3178.1-171.769.9000109F270 L272 L285 Y306 V307 F316F270-L318 HydrophobicContact CD2-CD2 4.27Å; F270-L318 HydrophobicContact CE2-CD1 3.97Å; F270-L318 HydrophobicContact CE2-CD2 4.02Å; F270-L318 HydrophobicContact CZ-CD1 4.15Å; L272-L318 HydrophobicContact CD2-CD2 4.3Å; L285-L318 HydrophobicContact CD1-CD2 4.04Å; L285-L318 HydrophobicContact CD2-CD2 4.29Å; Y306-L318 CarbonylContact C-O 3.39Å; Y306-L318 VanDerWaalsContact CA-O 3.26Å; Y306-L318 WeakPolarHBondContact CA-O 3.48Å; Y306-L318 WeakPolarHBondContact CB-O 3.38Å; V307-L318 PolarHBondContact N-O 3.48Å; V307-L318 PolarHBondContact O-N 3.29Å; F316-L318 HydrophobicContact CE1-CB 4.04Å; F316-L318 HydrophobicContact CZ-CB 4.24Å
319A91Very high89.8Confident29 Ų2948 Ų4824%0.2427%0.268CS..EExtended strand (participates in β ladder)trans-70.3129.5169.800000109.3P260 N262P260-A319 HydrophobicContact CB-CB 4.39Å; P260-A319 HydrophobicContact CG-CB 3.79Å; N262-A319 WeakPolarHBondContact OD1-CB 3.47Å; N262-A319 PolarHBondContact OD1-N 3.37Å
320L90.6Very high89.8Confident14 Ų1453.8 Ų53.87%0.07330%0.295CS..  trans-87.1138.2177-62.3173000109.2N305 V307 V324 M344N305-L320 PolarHBondContact O-N 2.76Å; V307-L320 HydrophobicContact CG2-CD1 3.92Å; V307-L320 HydrophobicContact CG2-CD2 4.02Å; V307-L320 HydrophobicContact CG2-CG 4.17Å; L320-V324 HydrophobicContact CD1-CB 4.24Å; L320-V324 HydrophobicContact CD1-CG1 3.81Å; L320-V324 HydrophobicContact CD1-CG2 3.38Å; L320-M344 HydrophobicContact CD1-SD 3.98Å; L320-M344 HydrophobicContact CD2-CE 3.88Å; L320-M344 HydrophobicContact CD2-SD 4.32Å
321P87.5Confident89.8Confident89 Ų8954.6 Ų54.658%0.57830%0.3SS*.SBendtrans-73.9-29.4-178.926.2-31000113.3Y283Y283-P321 HydrophobicContact CE1-CG 4.15Å; Y283-P321 WeakPolarHBondContact OH-CG 3.46Å
322D89.3Confident89.9Confident37 Ų3763.3 Ų63.320%0.19833%0.333CS..SBendtrans-120.3156.7173.2-62.2-56.9000111Y283 V324 K346 R349Y283-D322 HydrophobicContact CE2-CB 4.12Å; Y283-D322 PolarHBondContact OH-OD2 3.4Å; D322-V324 PolarHBondContact O-N 2.8Å; D322-K346 HydrophobicContact CB-CD 4.33Å; D322-K346 IonicContact OD2-NZ 2.72Å; D322-K346 PolarHBondContact OD2-NZ 2.72Å; D322-R349 IonicContact OD1-CZ 3.9Å; D322-R349 IonicContact OD1-NH2 3.97Å; D322-R349 PolarHBondContact OD1-NH2 2.87Å
323E90.4Very high90Very high119 Ų11958.4 Ų58.456%0.55631%0.309SS*.  trans-64.1131.3173.4-61.9-172.117000111V304 A347V304-E323 HydrophobicContact CG1-CB 3.76Å; V304-E323 HydrophobicContact CG1-CG 4.01Å; V304-E323 WeakPolarHBondContact O-CA 3.44Å; E323-A347 HydrophobicContact CB-CB 4.2Å; E323-A347 PolarHBondContact O-N 2.66Å
324V90.9Very high90.1Very high3 Ų357.1 Ų57.12%0.01829%0.29CS..BIsolated β-bridgetrans-112.5151.9176.3-61.20000112.1Y283 V304 L320 D322 A326 M344 P345Y283-V324 HydrophobicContact CD2-CG1 3.72Å; Y283-V324 HydrophobicContact CE2-CG1 4.22Å; V304-V324 PolarHBondContact O-N 2.91Å; L320-V324 HydrophobicContact CD1-CB 4.24Å; L320-V324 HydrophobicContact CD1-CG1 3.81Å; L320-V324 HydrophobicContact CD1-CG2 3.38Å; D322-V324 PolarHBondContact O-N 2.8Å; V324-A326 PolarHBondContact O-N 2.85Å; V324-A326 VanDerWaalsContact O-N 3.15Å; V324-M344 HydrophobicContact CB-CB 4.16Å; V324-M344 HydrophobicContact CG1-CB 4.05Å; V324-M344 HydrophobicContact CG2-CB 4.39Å; V324-P345 CarbonylContact C-O 3.23Å; V324-P345 WeakPolarHBondContact CA-O 3.32Å; V324-P345 WeakPolarHBondContact CB-O 3.32Å
325R90.5Very high89.8Confident112 Ų11260.6 Ų60.642%0.42331%0.313SS..  trans-78.791.6170.2-77.9-172.863.2-165.3-1.9110.1D327 A328 S329 P345 A347R325-D327 VanDerWaalsContact CB-OD1 3.3Å; R325-D327 WeakPolarHBondContact CB-OD1 3.42Å; R325-D327 IonicContact CZ-OD2 3.15Å; R325-D327 IonicContact NE-OD1 3.36Å; R325-D327 IonicContact NE-OD2 2.77Å; R325-D327 IonicContact NH2-OD2 3Å; R325-D327 PolarHBondContact NH2-OD2 3.21Å; R325-D327 PolarHBondContact O-N 2.93Å; R325-A328 HydrophobicContact CB-CB 4.23Å; R325-A328 PolarHBondContact O-N 3.27Å; R325-S329 PolarHBondContact O-N 3.15Å; R325-S329 PolarHBondContact O-OG 3.39Å; R325-P345 HydrophobicContact CB-CG 4.13Å; R325-P345 PolarHBondContact N-O 3.2Å; R325-A347 HydrophobicContact CG-CB 4.5Å
326A88.3Confident89.3Confident35 Ų3565.9 Ų65.929%0.28935%0.345SS..G310 helixtrans-58.8-31.9179.500000112.9I302 V324 S329I302-A326 HydrophobicContact CG2-CB 4.25Å; I302-A326 WeakPolarHBondContact O-CB 3.48Å; V324-A326 PolarHBondContact O-N 2.85Å; V324-A326 VanDerWaalsContact O-N 3.15Å; A326-S329 PolarHBondContact O-N 3.14Å
327D89.6Confident88.9Confident120 Ų12069.3 Ų69.364%0.64237%0.366SS*.G310 helixtrans-64.6-36.4177.562.2-46.9000113.5R325R325-D327 VanDerWaalsContact CB-OD1 3.3Å; R325-D327 WeakPolarHBondContact CB-OD1 3.42Å; R325-D327 IonicContact CZ-OD2 3.15Å; R325-D327 IonicContact NE-OD1 3.36Å; R325-D327 IonicContact NE-OD2 2.77Å; R325-D327 IonicContact NH2-OD2 3Å; R325-D327 PolarHBondContact NH2-OD2 3.21Å; R325-D327 PolarHBondContact O-N 2.93Å
328A89.3Confident88.5Confident29 Ų2969.3 Ų69.324%0.2437%0.366CS..G310 helixtrans-94.51.5-179.100000113.1R325 H330 P345R325-A328 HydrophobicContact CB-CB 4.23Å; R325-A328 PolarHBondContact O-N 3.27Å; A328-H330 PolarHBondContact O-CE1 2.85Å; A328-H330 PolarHBondContact O-ND1 2.89Å; A328-P345 HydrophobicContact CB-CG 3.6Å
329S91.1Very high88.4Confident16 Ų1671.6 Ų71.611%0.11238%0.376CS..  trans-81.6141.5-178.8-61.40000111.4R325 A326 T343 M344R325-S329 PolarHBondContact O-N 3.15Å; R325-S329 PolarHBondContact O-OG 3.39Å; A326-S329 PolarHBondContact O-N 3.14Å; S329-T343 CarbonylContact C-O 3.34Å; S329-T343 VanDerWaalsContact CA-O 3.24Å; S329-T343 WeakPolarHBondContact CA-O 3.36Å; S329-M344 WeakPolarHBondContact OG-CA 3.33Å
330H91.9Very high88.4Confident121 Ų12170.5 Ų70.556%0.5637%0.366SS*.EExtended strand (participates in β ladder)trans-131.6142.3-178.7-64.580.9000111.4A328 T343A328-H330 PolarHBondContact O-CE1 2.85Å; A328-H330 PolarHBondContact O-ND1 2.89Å; H330-T343 PolarHBondContact N-O 2.99Å; H330-T343 PolarHBondContact O-N 3.02Å
331V92Very high88.4Confident55 Ų5573.1 Ų73.133%0.33338%0.38SS..EExtended strand (participates in β ladder)trans-114.2126.6179.6-178.10000109.2C300 I302 L340 L341 I342C300-V331 HydrophobicContact CB-CG2 4.14Å; I302-V331 HydrophobicContact CD1-CG2 3.69Å; V331-L340 HydrophobicContact CG1-CD1 3.43Å; V331-L340 VanDerWaalsContact CG1-CD1 3.43Å; V331-L340 HydrophobicContact CG1-CD2 4.22Å; V331-L340 HydrophobicContact CG1-CG 3.85Å; V331-L341 WeakPolarHBondContact CA-O 3.36Å; V331-I342 HydrophobicContact CG1-CG1 4.08Å; V331-I342 HydrophobicContact CG2-CG1 4.06Å; V331-I342 HydrophobicContact CG2-CG2 4.15Å
332R91.4Very high88.7Confident186 Ų18668.9 Ų68.970%0.70235%0.353SS*.EExtended strand (participates in β ladder)trans-127.7137.3176.6-67.8-177.6179.31651.2110.1L341R332-L341 PolarHBondContact N-O 2.89Å; R332-L341 PolarHBondContact O-N 3.49Å
333R86.9Confident88.9Confident63 Ų6369.3 Ų69.324%0.23836%0.356CS..EExtended strand (participates in β ladder)trans-103.6130.9171.5-176179.9173.1-168.3-2.6109.8K291 M293 L335 H339 L340K291-R333 PolarHBondContact O-NH2 2.9Å; K291-R333 VanDerWaalsContact O-NH2 3.07Å; M293-R333 PolarHBondContact O-NH1 2.85Å; M293-R333 PolarHBondContact O-NH2 2.78Å; R333-L335 PolarHBondContact O-N 2.93Å; R333-H339 CarbonylContact C-O 3.58Å; R333-H339 WeakPolarHBondContact CA-O 3.46Å; R333-L340 HydrophobicContact CB-CD1 4.11Å
334S86.6Confident89Confident41 Ų4163.6 Ų63.629%0.28733%0.33SS..  trans-71.4122.4170.2176.60000109.9T336 T337 G338 H339S334-T336 VanDerWaalsContact C-N 3.3Å; S334-T337 WeakPolarHBondContact CB-OG1 3.38Å; S334-T337 PolarHBondContact OG-N 2.9Å; S334-T337 VanDerWaalsContact OG-N 3.15Å; S334-T337 PolarHBondContact OG-OG1 2.76Å; S334-G338 WeakPolarHBondContact O-CA 3.4Å; S334-G338 PolarHBondContact O-N 3.45Å; S334-H339 PolarHBondContact N-O 3.24Å
335L82.2Confident89Confident173 Ų17364.3 Ų64.391%0.90634%0.335SS*.THydrogen-bonded Turntrans-67.6-32.6175.2-63.3175.2000111.6R333R333-L335 PolarHBondContact O-N 2.93Å
336T80.3Confident89Confident121 Ų12160.1 Ų60.174%0.74232%0.319SS*.THydrogen-bonded Turntrans-83.9-46.2-173.9-41.10000112.6S334S334-T336 VanDerWaalsContact C-N 3.3Å
337T83.6Confident88.8Confident75 Ų7560.1 Ų60.146%0.4632%0.319SS..THydrogen-bonded Turntrans-96.2-19.8-176.961.40000112.4S334 H339S334-T337 WeakPolarHBondContact CB-OG1 3.38Å; S334-T337 PolarHBondContact OG-N 2.9Å; S334-T337 VanDerWaalsContact OG-N 3.15Å; S334-T337 PolarHBondContact OG-OG1 2.76Å; T337-H339 PolarHBondContact O-CD2 2.79Å; T337-H339 PolarHBondContact O-N 3.49Å
338G83.3Confident88.1Confident0 Ų058.6 Ų58.60%032%0.318CS..  trans79.5-4.5-174.300000114.4S334S334-G338 WeakPolarHBondContact O-CA 3.4Å; S334-G338 PolarHBondContact O-N 3.45Å
339H89.7Confident86.7Confident65 Ų6567 Ų6730%0.30134%0.343SS..  trans-65.4144.4-178.9-77.1-126.6000112D286 I287 R333 S334 T337D286-H339 WeakPolarHBondContact OD1-CB 3.45Å; D286-H339 IonicContact OD1-CE1 2.65Å; D286-H339 IonicContact OD1-CG 2.89Å; D286-H339 IonicContact OD1-ND1 2.99Å; D286-H339 PolarHBondContact OD1-ND1 3.24Å; D286-H339 IonicContact OD2-ND1 3.33Å; D286-H339 PolarHBondContact OD2-ND1 3.43Å; I287-H339 WeakPolarHBondContact O-CA 3.47Å; R333-H339 CarbonylContact C-O 3.58Å; R333-H339 WeakPolarHBondContact CA-O 3.46Å; S334-H339 PolarHBondContact N-O 3.24Å; T337-H339 PolarHBondContact O-CD2 2.79Å; T337-H339 PolarHBondContact O-N 3.49Å
340L90.9Very high85Confident6 Ų672.9 Ų72.93%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-104.7113.9176.1-172.377.9000109I287 V289 I298 C300 V309 V331 R333 I342I287-L340 HydrophobicContact CB-CB 4.33Å; I287-L340 PolarHBondContact N-O 2.85Å; I287-L340 PolarHBondContact O-N 2.81Å; V289-L340 HydrophobicContact CB-CB 4.47Å; V289-L340 HydrophobicContact CG2-CB 3.55Å; V289-L340 HydrophobicContact CG2-CD2 4.32Å; I298-L340 HydrophobicContact CG2-CD2 4.31Å; C300-L340 VanDerWaalsContact SG-CD2 3.56Å; V309-L340 HydrophobicContact CG1-CD2 3.99Å; V309-L340 HydrophobicContact CG2-CD2 4.4Å; V331-L340 HydrophobicContact CG1-CD1 3.43Å; V331-L340 VanDerWaalsContact CG1-CD1 3.43Å; V331-L340 HydrophobicContact CG1-CD2 4.22Å; V331-L340 HydrophobicContact CG1-CG 3.85Å; R333-L340 HydrophobicContact CB-CD1 4.11Å; L340-I342 HydrophobicContact CD2-CD1 4.16Å; L340-I342 HydrophobicContact CD2-CG1 4.37Å; L340-I342 HydrophobicContact CG-CG1 4.36Å
341L91.7Very high82.7Confident70 Ų7074.1 Ų74.137%0.36638%0.379SS..EExtended strand (participates in β ladder)trans-100121.7178.7-167.672000109.6I284 D286 V331 R332I284-L341 HydrophobicContact CG2-CD1 3.35Å; I284-L341 HydrophobicContact CG2-CG 4.12Å; D286-L341 HydrophobicContact CB-CD1 4.2Å; V331-L341 WeakPolarHBondContact CA-O 3.36Å; R332-L341 PolarHBondContact N-O 2.89Å; R332-L341 PolarHBondContact O-N 3.49Å
342I92.7Very high80.4Confident0 Ų081.2 Ų81.20%040%0.399CS..EExtended strand (participates in β ladder)trans-115.6116178.4-54.6177.3000107.8I284 L285 I287 I302 V307 V309 V331 L340 M344I284-I342 WeakPolarHBondContact CA-O 3.47Å; L285-I342 HydrophobicContact CB-CB 4.2Å; L285-I342 HydrophobicContact CD2-CD1 4.26Å; L285-I342 PolarHBondContact N-O 2.99Å; L285-I342 PolarHBondContact O-N 2.84Å; I287-I342 HydrophobicContact CD1-CD1 3.98Å; I302-I342 HydrophobicContact CD1-CG2 3.65Å; I302-I342 HydrophobicContact CG1-CG2 4.35Å; V307-I342 HydrophobicContact CG1-CD1 3.91Å; V309-I342 HydrophobicContact CG2-CD1 3.83Å; V331-I342 HydrophobicContact CG1-CG1 4.08Å; V331-I342 HydrophobicContact CG2-CG1 4.06Å; V331-I342 HydrophobicContact CG2-CG2 4.15Å; L340-I342 HydrophobicContact CD2-CD1 4.16Å; L340-I342 HydrophobicContact CD2-CG1 4.37Å; L340-I342 HydrophobicContact CG-CG1 4.36Å; I342-M344 HydrophobicContact CG2-CE 4.28Å; I342-M344 HydrophobicContact CG2-CG 3.79Å; I342-M344 HydrophobicContact CG2-SD 3.93Å
343T92.8Very high78.1Confident45 Ų4579.1 Ų79.128%0.27640%0.401SS..EExtended strand (participates in β ladder)trans-104.5121.1178.4-540000109.2V282 Y283 S329 H330V282-T343 HydrophobicContact CB-CG2 4.4Å; Y283-T343 CarbonylContact O-C 3.53Å; Y283-T343 WeakPolarHBondContact O-CA 3.38Å; S329-T343 CarbonylContact C-O 3.34Å; S329-T343 VanDerWaalsContact CA-O 3.24Å; S329-T343 WeakPolarHBondContact CA-O 3.36Å; H330-T343 PolarHBondContact N-O 2.99Å; H330-T343 PolarHBondContact O-N 3.02Å
344M92.8Very high75.8Confident0 Ų081.2 Ų81.20%043%0.425CS..EExtended strand (participates in β ladder)trans-130.2108.9-173.3-59.5169.7-71.100110.9L272 V282 Y283 L285 I302 V307 L320 V324 S329 I342L272-M344 HydrophobicContact CD1-CE 4.44Å; V282-M344 CarbonylContact C-O 3.6Å; V282-M344 WeakPolarHBondContact CA-O 3.26Å; Y283-M344 PolarHBondContact N-O 3.5Å; Y283-M344 PolarHBondContact O-N 3.05Å; L285-M344 HydrophobicContact CB-CE 4.03Å; I302-M344 HydrophobicContact CG2-CG 4.24Å; I302-M344 HydrophobicContact CG2-SD 4.09Å; V307-M344 HydrophobicContact CG2-CE 3.84Å; V307-M344 HydrophobicContact CG2-SD 3.18Å; V307-M344 WeakPolarHBondContact CG2-SD 3.15Å; L320-M344 HydrophobicContact CD1-SD 3.98Å; L320-M344 HydrophobicContact CD2-CE 3.88Å; L320-M344 HydrophobicContact CD2-SD 4.32Å; V324-M344 HydrophobicContact CB-CB 4.16Å; V324-M344 HydrophobicContact CG1-CB 4.05Å; V324-M344 HydrophobicContact CG2-CB 4.39Å; S329-M344 WeakPolarHBondContact OG-CA 3.33Å; I342-M344 HydrophobicContact CG2-CE 4.28Å; I342-M344 HydrophobicContact CG2-CG 3.79Å; I342-M344 HydrophobicContact CG2-SD 3.93Å
345P91.9Very high73.5Confident18 Ų1883 Ų8312%0.11744%0.442CS..EExtended strand (participates in β ladder)trans-70.1134.7175.523.1-25.9000111.9V282 V324 R325 A328V282-P345 HydrophobicContact CG1-CB 4.04Å; V324-P345 CarbonylContact C-O 3.23Å; V324-P345 WeakPolarHBondContact CA-O 3.32Å; V324-P345 WeakPolarHBondContact CB-O 3.32Å; R325-P345 HydrophobicContact CB-CG 4.13Å; R325-P345 PolarHBondContact N-O 3.2Å; A328-P345 HydrophobicContact CB-CG 3.6Å
346K89.9Confident71.3Confident23 Ų2382.5 Ų82.510%0.144%0.44CS..BIsolated β-bridgetrans-66.4145.8173.3-60.2-167.3-163.4-179.70110.1E274 E281 Y283 D322 S348E274-K346 IonicContact OE2-NZ 3.18Å; E274-K346 PolarHBondContact OE2-NZ 2.79Å; E281-K346 HydrophobicContact CB-CB 4.27Å; E281-K346 HydrophobicContact CB-CD 3.73Å; E281-K346 HydrophobicContact CB-CG 4.01Å; E281-K346 WeakPolarHBondContact O-CB 3.42Å; E281-K346 WeakPolarHBondContact O-CG 3.45Å; E281-K346 PolarHBondContact O-N 2.88Å; E281-K346 VanDerWaalsContact OE2-CD 3.32Å; E281-K346 WeakPolarHBondContact OE2-CD 3.38Å; E281-K346 VanDerWaalsContact OE2-CE 3.32Å; E281-K346 WeakPolarHBondContact OE2-CE 3.32Å; E281-K346 IonicContact OE2-NZ 3.11Å; E281-K346 PolarHBondContact OE2-NZ 3.41Å; Y283-K346 HydrophobicContact CD2-CD 4.43Å; Y283-K346 HydrophobicContact CD2-CG 3.85Å; Y283-K346 HydrophobicContact CE2-CD 3.75Å; Y283-K346 VanDerWaalsContact CE2-CE 3.46Å; Y283-K346 HydrophobicContact CE2-CG 3.59Å; Y283-K346 WeakPolarHBondContact OH-CE 3.07Å; Y283-K346 PolarHBondContact OH-NZ 3.39Å; D322-K346 HydrophobicContact CB-CD 4.33Å; D322-K346 IonicContact OD2-NZ 2.72Å; D322-K346 PolarHBondContact OD2-NZ 2.72Å; K346-S348 PolarHBondContact O-N 2.83Å
347A84.9Confident69Low35 Ų3581.8 Ų81.829%0.28944%0.44SS..PPolyproline II helixtrans-70.6124.4170.900000109.7E323 R325 R349E323-A347 HydrophobicContact CB-CB 4.2Å; E323-A347 PolarHBondContact O-N 2.66Å; R325-A347 HydrophobicContact CG-CB 4.5Å; A347-R349 PolarHBondContact O-N 3.23Å
348S74.4Confident66.5Low88 Ų8887 Ų8762%0.61546%0.459SS*.PPolyproline II helixtrans-63.1118177.248.10000110.5K346 E350K346-S348 PolarHBondContact O-N 2.83Å; S348-E350 PolarHBondContact O-N 2.88Å
349R60.8Low64.2Low205 Ų20596.3 Ų96.377%0.77450%0.502SS*.  trans-74.161178.3-59.7-179.4-176.4176.41112D322 A347 I351D322-R349 IonicContact OD1-CZ 3.9Å; D322-R349 IonicContact OD1-NH2 3.97Å; D322-R349 PolarHBondContact OD1-NH2 2.87Å; A347-R349 PolarHBondContact O-N 3.23Å; R349-I351 PolarHBondContact O-N 3Å
350E54.8Low61.1Low141 Ų14198 Ų9866%0.65952%0.521SS*.  trans-9185.4167.4-77.4-168.2-160.300110S348 R352S348-E350 PolarHBondContact O-N 2.88Å; E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 2.98Å; E350-R352 IonicContact OE2-NE 3.25Å; E350-R352 IonicContact OE2-NH2 2.73Å
351I44.3Very low58Low147 Ų147102 Ų10275%0.75455%0.55SS*.  trans-74.589.8168.9-52.4172.5000107.5R349 I353R349-I351 PolarHBondContact O-N 3Å; I351-I353 VanDerWaalsContact C-N 3.34Å; I351-I353 HydrophobicContact CG2-CG1 3.74Å; I351-I353 PolarHBondContact O-N 3.4Å; I351-I353 VanDerWaalsContact O-N 3.09Å
352R42.4Very low55Low204 Ų204106.2 Ų106.277%0.7757%0.568SS**  trans-73.795.7159.8-67.6-172.4-173.8-174.42.2107.1E350 S354E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 2.98Å; E350-R352 IonicContact OE2-NE 3.25Å; E350-R352 IonicContact OE2-NH2 2.73Å; R352-S354 PolarHBondContact O-N 2.91Å
353I43.3Very low51.8Low142 Ų142114 Ų11473%0.72860%0.604SS**  trans-66.695.8163-53.4176.3000105.6I351 A355I351-I353 VanDerWaalsContact C-N 3.34Å; I351-I353 HydrophobicContact CG2-CG1 3.74Å; I351-I353 PolarHBondContact O-N 3.4Å; I351-I353 VanDerWaalsContact O-N 3.09Å; I353-A355 HydrophobicContact CG2-CB 4.24Å; I353-A355 PolarHBondContact O-N 3.09Å
354S37.6Very low48.5Very low107 Ų107121.4 Ų121.475%0.74863%0.632SS**  trans-69.170.7165.1-48.90000108.1R352 N356R352-S354 PolarHBondContact O-N 2.91Å; S354-N356 PolarHBondContact O-N 2.82Å
355A39.7Very low45.2Very low78 Ų78128 Ų12865%0.64567%0.673SS**  trans-71.8113.6163.900000106.2I353 S357I353-A355 HydrophobicContact CG2-CB 4.24Å; I353-A355 PolarHBondContact O-N 3.09Å; A355-S357 PolarHBondContact O-N 3Å
356N36.5Very low42Very low162 Ų162137.3 Ų137.387%0.86671%0.711SS**  trans-42.4112.6173.7-76.9-10.3000110.2S354 E358S354-N356 PolarHBondContact O-N 2.82Å; N356-E358 PolarHBondContact O-N 3.29Å
357S31.4Very low38.8Very low107 Ų107145.1 Ų145.175%0.74875%0.745SS**  trans-70.1112.5166.251.90000108.3A355A355-S357 PolarHBondContact O-N 3Å
358E31.6Very low35.8Very low184 Ų184149.3 Ų149.386%0.8677%0.767SS**  trans-170.487.9149.8-106169.5-137.400108.7N356N356-E358 PolarHBondContact O-N 3.29Å
359H34.4Very low33.4Very low195 Ų195151.8 Ų151.890%0.90377%0.774SS**  trans-163.5114.8132.9-100.4-59.6000110.2
360S24.2Very low31.8Very low100 Ų100149.8 Ų149.870%0.69977%0.773SS**  trans-69.2153.4172.8510000112.8
361S25.1Very low30.3Very low90 Ų90149.9 Ų149.963%0.62978%0.776SS**  trans67103.8147.464.70000119.1
362H29.1Very low29.3Very low160 Ų160151.8 Ų151.874%0.74178%0.78SS**  169.4136.596.1-99.7-76.6000112.7
363E27Very low28.5Very low162 Ų162147.8 Ų147.876%0.75778%0.778SS**  trans63.2108144.7-70.7-179.716100123.1
364K23Very low27.5Very low202 Ų202148.2 Ų148.288%0.87878%0.777SS**  23.399.1127.5-66.4178.6-179.7172.50116.8
365T22.6Very low26.8Very low138 Ų138150.2 Ų150.285%0.84778%0.779SS**  -146.9131.512836.10000110.5K367T365-K367 PolarHBondContact O-N 3.02Å; T365-K367 VanDerWaalsContact O-N 3.1Å
366K24.4Very low26.1Very low213 Ų213155.3 Ų155.393%0.92679%0.787SS**  trans-60.6106.4170.3-73.8173.2173.1177.80109.1
367K23.2Very low25.4Very low187 Ų187154.2 Ų154.281%0.81378%0.781SS**  trans-134.5107.9148.6-83.8-173.6178.21760108.1T365 N369T365-K367 PolarHBondContact O-N 3.02Å; T365-K367 VanDerWaalsContact O-N 3.1Å; K367-N369 PolarHBondContact O-N 2.98Å
368T21.8Very low25.1Very low123 Ų123158.1 Ų158.176%0.75579%0.785SS**  trans-6195.316943.30000109.2
369N25Very low25.5Very low141 Ų141154.8 Ų154.875%0.75478%0.779SS**  trans-93.289.8159.3-81.7-6000107.4K367 I371K367-N369 PolarHBondContact O-N 2.98Å; N369-I371 VanDerWaalsContact C-N 3.27Å; N369-I371 PolarHBondContact O-N 3.38Å
370H25.9Very low24.9Very low162 Ų162153.4 Ų153.475%0.7578%0.778SS**  trans-63.197.3153.2-80-79.8000106.6F372H370-F372 VanDerWaalsContact C-N 3.26Å; H370-F372 PolarHBondContact O-N 3.05Å
371I24.4Very low24.9Very low143 Ų143153.1 Ų153.173%0.73378%0.782SS**  trans-7395.6164.4-63.2172.2000105N369 V373N369-I371 VanDerWaalsContact C-N 3.27Å; N369-I371 PolarHBondContact O-N 3.38Å; I371-V373 PolarHBondContact O-N 3.03Å
372F22Very low24.6Very low187 Ų187155.2 Ų155.282%0.8279%0.791SS**  trans-55.5104.2160.9-96.7-97.2000107.2H370 Q374H370-F372 VanDerWaalsContact C-N 3.26Å; H370-F372 PolarHBondContact O-N 3.05Å; F372-Q374 PolarHBondContact O-N 3.3Å
373V25.7Very low24.4Very low121 Ų121155.7 Ų155.773%0.73380%0.798SS**  trans-72.1113.6158.61780000105I371 D375I371-V373 PolarHBondContact O-N 3.03Å; V373-D375 PolarHBondContact O-N 3.01Å
374Q23.6Very low24.1Very low150 Ų150152.2 Ų152.270%0.70179%0.792SS**  trans-68.5101.9-174.6-155.6165.4300108.3F372 F376F372-Q374 PolarHBondContact O-N 3.3Å; Q374-F376 HydrophobicContact CG-CE2 4.38Å; Q374-F376 PolarHBondContact O-N 3.03Å
375D21.8Very low24.2Very low149 Ų149151 Ų15180%0.79779%0.789SS**  trans-57.2102.9164.2-81.1-38.3000108.6V373 N377V373-D375 PolarHBondContact O-N 3.01Å; D375-N377 PolarHBondContact O-N 3.05Å
376F25.4Very low24.3Very low185 Ų185153 Ų15381%0.81179%0.793SS**  trans-78.474159.9-79.9-80.4000108.5Q374Q374-F376 HydrophobicContact CG-CE2 4.38Å; Q374-F376 PolarHBondContact O-N 3.03Å
377N21.5Very low24.2Very low139 Ų139148.5 Ų148.574%0.74379%0.789SS**  trans-127.9112.1158.7-112.3-25.6000109.2D375D375-N377 PolarHBondContact O-N 3.05Å
378K25.6Very low24.2Very low190 Ų190143 Ų14383%0.82679%0.786SS**  trans87.4161.6162.8-60.9-179.8177.8176.40118
379P39Very low24.1Very low114 Ų114144.7 Ų144.774%0.7479%0.79SS**  cis-132.8179.3-1520.44.4000114.2
380N22.5Very low24.2Very low166 Ų166146 Ų14689%0.88880%0.796SS**  trans-16.5124.4154.1-70.5-21.2000115.8
381A23.7Very low24Very low93 Ų93143.7 Ų143.777%0.76980%0.797SS**  trans-151.5111.1145.700000109.8
382T20.4Very low24.2Very low135 Ų135142.3 Ų142.383%0.82880%0.8SS**  trans-35.3132.2151.3-7.40000111.5
383L24.3Very low24.2Very low169 Ų169143.3 Ų143.389%0.88580%0.804SS**  trans-146.895.3150.3-102166.5000108.4
384S21Very low24.4Very low90 Ų90143.4 Ų143.463%0.62981%0.81SS**  trans-58.5159.7141.744.60000110.4
385E23.6Very low24.6Very low176 Ų176146 Ų14682%0.82282%0.819SS**  trans89.786.5173-56.5-177.3179.200115.9
386L26.2Very low24.7Very low179 Ų179146.6 Ų146.694%0.93782%0.817SS**  trans-14687.2132.9-100.6155.6000107.7
387S21.1Very low24.9Very low120 Ų120143.6 Ų143.684%0.83982%0.819SS**  trans-66.9131.1155.946.90000109.4
388G23.2Very low25Very low72 Ų72144.1 Ų144.174%0.74282%0.815SS**  trans169.768.7176.500000113.4
389D20.8Very low25.1Very low157 Ų157142.7 Ų142.784%0.8482%0.815SS**  trans22.9108.9150-63.4-32000120.2
390I26.5Very low24.3Very low170 Ų170147.3 Ų147.387%0.87282%0.818SS**  -139.6109.9128.3-58.3-175.6000108.8
391S21.9Very low24.7Very low113 Ų113146.9 Ų146.979%0.7981%0.814SS**  trans-66.1124168.9143.80000111.2
392S28.3Very low24.7Very low113 Ų113150.7 Ų150.779%0.7981%0.814SS**  trans-165.7135.4131.749.90000112.1
393K22.4Very low24.8Very low209 Ų209154 Ų15491%0.90982%0.817SS**  trans-64.2134.4-171.9-64.6158.9173.3172.10113.2
394S30.4Very low24.8Very low123 Ų123155 Ų15586%0.8682%0.817SS**  trans-159.8144.8132.860.10000110.5
395K27.7Very low24.9Very low204 Ų204160.3 Ų160.389%0.88783%0.829SS**  trans-85146.3-155.8-74.1171170.3178.20114
396E24.1Very low25Very low162 Ų162158 Ų15876%0.75783%0.827SS**  trans-15.1133.5155.1-62.5174.9137.100118
397S29.6Very low24.9Very low121 Ų121155.9 Ų155.985%0.84682%0.821SS**  trans-143.1112.6140.540.10000109.8
398F23.2Very low25.9Very low151 Ų151155.9 Ų155.966%0.66282%0.819SS**  trans-74.5134.5175.8-86-101.6000110.8
399L28Very low26Very low159 Ų159163.4 Ų163.483%0.83283%0.825SS**  trans-134.394.2155.2-101.5124.2000109.8
400R22.4Very low26Very low211 Ų211163.8 Ų163.880%0.79682%0.823SS**  trans-84.3119.2164.8-86.2-179.5174.7174.5-2.2108.6
401I29.1Very low26.1Very low157 Ų157166.1 Ų166.181%0.80582%0.823SS**  trans-102.1107167.2-60.7174.9000107.6
402K23.6Very low26.1Very low174 Ų174167 Ų16776%0.75782%0.819SS**  trans-80.4139.6174.7-79.5-177.7174.6179.80110.4
403K23Very low25.9Very low205 Ų205169.3 Ų169.389%0.89182%0.817SS**  trans-67.8132.7162.5-67.5177.2174.9-179.60110
404Q25.2Very low26.3Very low190 Ų190169.1 Ų169.189%0.88881%0.812SS**  trans-141.5137.6158.3-77.9-167.1-24.600111.2
405F22.7Very low26.1Very low201 Ų201170.1 Ų170.188%0.88281%0.806SS**  trans-69.7159.4175.7-86.9-107.3000112.8
406T25.3Very low26Very low127 Ų127169.2 Ų169.278%0.77981%0.805SS**  168116.3124.536.10000113.5
407T25Very low26Very low134 Ų134168.7 Ų168.782%0.82281%0.807SS**  40.3158.9127.549.70000124.5
408P40.8Very low25.9Very low121 Ų121169.3 Ų169.379%0.78681%0.81SS**  trans-112.1169.9-136.637.5-25.2000116.1
409R27.1Very low25.9Very low229 Ų229166.5 Ų166.586%0.86481%0.81SS**  trans-120.9118.5166.8-80.6-174.3175-177.6-2111.5
410M19.1Very low25.9Very low165 Ų165166 Ų16681%0.81381%0.808SS**  trans-60.6142.1158.8-70.6-76.3-16400110.9
411Y29.2Very low26.5Very low220 Ų220162.8 Ų162.886%0.86381%0.811SS**  trans-151.6135.4145.9-89.8-73.5000109.4
412D23.1Very low26.4Very low131 Ų131160.7 Ų160.770%0.70181%0.808SS**  trans-81.3159.5-168.1-67.9-55.4000115.9
413E23.4Very low26.5Very low161 Ų161158.2 Ų158.275%0.75281%0.812SS**  trans66.2154.7135.3-76.4174.2168.100123.7
414Y31.3Very low26.8Very low205 Ų205156.8 Ų156.880%0.80481%0.813SS**  trans85.794.8-177.4-55.5-78.4000115
415I24.5Very low27.3Very low145 Ų145159.2 Ų159.274%0.74483%0.83SS**  53.4109.471.4-55.8177.6000112
416E26.5Very low27.5Very low184 Ų184157.2 Ų157.286%0.8683%0.828SS**  176.8146.6102.1-134.5157.7-137.600111.7
417D23.4Very low27.6Very low151 Ų151158.7 Ų158.781%0.80783%0.83SS**  trans-65.7140.6-177-69.1-55.6000113.8
418C27.4Very low27.8Very low135 Ų135160.1 Ų160.191%0.91283%0.831SS**  trans-146.483.7154-92.10000107.9
419S24.6Very low27Very low92 Ų92162.4 Ų162.464%0.64383%0.833SS**  trans-62155.2148.947.30000109.7
420D28.2Very low27Very low149 Ų149158.3 Ų158.380%0.79783%0.831SS**  trans100.776.7166.1-51.6-25.7000117.2
421V34.4Very low27.5Very low142 Ų142157.8 Ų157.886%0.86183%0.833SS**  trans-150.8132.3133.4-166.40000109.7
422P26.4Very low27.4Very low113 Ų113153.4 Ų153.473%0.73483%0.83SS**PPolyproline II helixtrans-87.6170.5-161.834.9-37000115.7L424P422-L424 PolarHBondContact O-N 3.1Å
423S25.2Very low27.7Very low122 Ų122155.1 Ų155.185%0.85384%0.84SS**PPolyproline II helixtrans-56.3120.9179.9-24.90000112.9
424L30.2Very low28.1Very low175 Ų175154.6 Ų154.692%0.91685%0.848SS**PPolyproline II helixtrans-87.6129.6162.1-80.9156.9000108.5P422P422-L424 PolarHBondContact O-N 3.1Å
425I35Very low27.8Very low242 Ų242150 Ų150100%1.24185%0.852SS**  trans-53.20-179.2-64.6165.8000111.4

Retrieved 425 of 425 residues in 243.5 ms (Link to these results)

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