A0A077ZL35_TRITR Loading...

Cell fate determining protein mab21l2

AlphaFold DB , UniProt , Accession A0A077ZL35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 360 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
1M47.4Very low75.1Confident193 Ų19378.8 Ų78.895%0.95143%0.427SS*.  066.60-155.9-160.1-6400108.6D299M1-D299 PolarHBondContact N-OD1 3.03Å
2L54Low76.7Confident36 Ų3673.3 Ų73.319%0.18840%0.396CS..  trans-134.1143.2179-71.5145.2000105.4V8 G298 V302 I351L2-V8 HydrophobicContact CB-CG1 4.34Å; L2-V8 HydrophobicContact CB-CG2 3.63Å; L2-V8 HydrophobicContact CD1-CG1 4.05Å; L2-V8 HydrophobicContact CD2-CG1 4.34Å; L2-V8 HydrophobicContact CD2-CG2 4.39Å; L2-V8 HydrophobicContact CG-CG1 4.47Å; L2-V8 HydrophobicContact CG-CG2 4.49Å; L2-G298 VanDerWaalsContact CD1-C 3.41Å; L2-V302 HydrophobicContact CD1-CG2 3.93Å; L2-V302 HydrophobicContact CD2-CG2 3.99Å; L2-V302 HydrophobicContact CG-CG2 4.2Å; L2-I351 HydrophobicContact CD2-CG1 4.37Å
3G55Low78Confident43 Ų4371.2 Ų71.244%0.44339%0.385SS..SBendtrans-53.7163.4175.700000112.3V8G3-V8 WeakPolarHBondContact O-CG2 3.44Å
4Q69.6Low79.2Confident147 Ų14771 Ų7169%0.68738%0.376SS*.SBendtrans-2.3100.8-175.6-71.5-170.8-8.200114.8S6 L7 V8Q4-S6 PolarHBondContact O-N 2.86Å; Q4-L7 HydrophobicContact CB-CB 4.37Å; Q4-L7 WeakPolarHBondContact O-CB 3.24Å; Q4-L7 PolarHBondContact O-N 2.7Å; Q4-V8 PolarHBondContact O-N 3.2Å
5P73.3Confident80.4Confident100 Ų10066.5 Ų66.565%0.64935%0.352SS*.Hα-helixtrans-49.1-34-169.4-31.234.5000115V8 M9P5-V8 PolarHBondContact O-N 3.22Å; P5-M9 WeakPolarHBondContact O-CB 3.49Å; P5-M9 PolarHBondContact O-N 2.99Å
6S79.8Confident81.4Confident81 Ų8165.3 Ų65.357%0.56634%0.341SS*.Hα-helixtrans-61.4-41.3175.454.40000113.6Q4 Y10Q4-S6 PolarHBondContact O-N 2.86Å; S6-Y10 VanDerWaalsContact O-CB 3.32Å; S6-Y10 WeakPolarHBondContact O-CB 3.17Å; S6-Y10 PolarHBondContact O-N 3.29Å
7L87.1Confident82.3Confident52 Ų5268.9 Ų68.927%0.27236%0.356SS..Hα-helixtrans-67.5-43178.9178.862.8000111.1Q4 Y10 Q11 P354Q4-L7 HydrophobicContact CB-CB 4.37Å; Q4-L7 WeakPolarHBondContact O-CB 3.24Å; Q4-L7 PolarHBondContact O-N 2.7Å; L7-Y10 WeakPolarHBondContact O-CB 3.28Å; L7-Y10 PolarHBondContact O-N 3.26Å; L7-Q11 HydrophobicContact CD1-CG 4.21Å; L7-Q11 HydrophobicContact CG-CG 4.5Å; L7-Q11 WeakPolarHBondContact O-CB 3.39Å; L7-Q11 VanDerWaalsContact O-CG 3.27Å; L7-Q11 WeakPolarHBondContact O-CG 3.28Å; L7-Q11 PolarHBondContact O-N 3.35Å; L7-P354 HydrophobicContact CD2-CB 4.36Å; L7-P354 HydrophobicContact CD2-CG 4.42Å; L7-P354 HydrophobicContact CG-CB 4.23Å
8V86.6Confident83.1Confident12 Ų1270.2 Ų70.27%0.07336%0.36CS..Hα-helixtrans-63-48.1178.2174.60000110.4L2 G3 Q4 P5 Y10 Q11 L12 P354L2-V8 HydrophobicContact CB-CG1 4.34Å; L2-V8 HydrophobicContact CB-CG2 3.63Å; L2-V8 HydrophobicContact CD1-CG1 4.05Å; L2-V8 HydrophobicContact CD2-CG1 4.34Å; L2-V8 HydrophobicContact CD2-CG2 4.39Å; L2-V8 HydrophobicContact CG-CG1 4.47Å; L2-V8 HydrophobicContact CG-CG2 4.49Å; G3-V8 WeakPolarHBondContact O-CG2 3.44Å; Q4-V8 PolarHBondContact O-N 3.2Å; P5-V8 PolarHBondContact O-N 3.22Å; V8-Y10 VanDerWaalsContact C-N 3.3Å; V8-Y10 PolarHBondContact O-N 3.07Å; V8-Q11 PolarHBondContact O-N 3.17Å; V8-L12 HydrophobicContact CG1-CD1 3.83Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CB 3.5Å; V8-L12 WeakPolarHBondContact O-CG 3.18Å; V8-L12 PolarHBondContact O-N 2.79Å; V8-P354 HydrophobicContact CG2-CB 3.82Å; V8-P354 HydrophobicContact CG2-CG 3.56Å
9M88Confident83.8Confident63 Ų6370.9 Ų70.931%0.3136%0.358SS..Hα-helixtrans-59.4-43.2177-169.4-172.882.300111.1P5 L12 N13 L295P5-M9 WeakPolarHBondContact O-CB 3.49Å; P5-M9 PolarHBondContact O-N 2.99Å; M9-L12 PolarHBondContact O-N 3.5Å; M9-N13 WeakPolarHBondContact O-CB 3.05Å; M9-N13 PolarHBondContact O-N 3.26Å; M9-N13 PolarHBondContact O-ND2 3.16Å; M9-N13 VanDerWaalsContact O-ND2 3.13Å; M9-L295 HydrophobicContact SD-CD2 3.58Å; M9-L295 VanDerWaalsContact SD-CD2 3.58Å; M9-L295 HydrophobicContact SD-CG 4.44Å
10Y91.5Very high84.5Confident136 Ų13667.4 Ų67.453%0.53334%0.34SS..Hα-helixtrans-58.9-48.8175.6174.6-96.8000111.9S6 L7 V8 N13 R14S6-Y10 VanDerWaalsContact O-CB 3.32Å; S6-Y10 WeakPolarHBondContact O-CB 3.17Å; S6-Y10 PolarHBondContact O-N 3.29Å; L7-Y10 WeakPolarHBondContact O-CB 3.28Å; L7-Y10 PolarHBondContact O-N 3.26Å; V8-Y10 VanDerWaalsContact C-N 3.3Å; V8-Y10 PolarHBondContact O-N 3.07Å; Y10-N13 PolarHBondContact O-N 3.29Å; Y10-R14 WeakPolarHBondContact O-CB 3.5Å; Y10-R14 PolarHBondContact O-N 3.15Å
11Q93.9Very high85.1Confident4 Ų467 Ų672%0.01934%0.341CS..Hα-helixtrans-66.3-39.3-178.9-68.9-66.5-9.800112.5L7 V8 R14 F15 P354 L357 E358L7-Q11 HydrophobicContact CD1-CG 4.21Å; L7-Q11 HydrophobicContact CG-CG 4.5Å; L7-Q11 WeakPolarHBondContact O-CB 3.39Å; L7-Q11 VanDerWaalsContact O-CG 3.27Å; L7-Q11 WeakPolarHBondContact O-CG 3.28Å; L7-Q11 PolarHBondContact O-N 3.35Å; V8-Q11 PolarHBondContact O-N 3.17Å; Q11-R14 PolarHBondContact O-N 3.37Å; Q11-F15 WeakPolarHBondContact O-CB 3.46Å; Q11-F15 PolarHBondContact O-N 2.83Å; Q11-P354 WeakPolarHBondContact CB-O 3.5Å; Q11-P354 HydrophobicContact CG-CB 4.44Å; Q11-P354 WeakPolarHBondContact CG-O 3.34Å; Q11-L357 HydrophobicContact CB-CB 4.47Å; Q11-L357 HydrophobicContact CB-CD1 3.97Å; Q11-E358 PolarHBondContact NE2-OE1 3.37Å; Q11-E358 PolarHBondContact OE1-OE1 3.41Å
12L93.9Very high87.5Confident12 Ų1260.5 Ų60.56%0.06332%0.318CS..Hα-helixtrans-65-41.4174.1-74.4169000112.3V8 M9 F15 Y16 I253 L297 G298 I301 L357V8-L12 HydrophobicContact CG1-CD1 3.83Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CB 3.5Å; V8-L12 WeakPolarHBondContact O-CG 3.18Å; V8-L12 PolarHBondContact O-N 2.79Å; M9-L12 PolarHBondContact O-N 3.5Å; L12-F15 PolarHBondContact O-N 3.26Å; L12-Y16 WeakPolarHBondContact O-CB 3.33Å; L12-Y16 PolarHBondContact O-N 3.2Å; L12-I253 HydrophobicContact CD2-CD1 4.4Å; L12-I253 HydrophobicContact CD2-CG2 4.49Å; L12-L297 HydrophobicContact CD1-CG 4.35Å; L12-G298 VanDerWaalsContact CD1-CA 3.46Å; L12-I301 HydrophobicContact CD1-CD1 4.19Å; L12-I301 HydrophobicContact CD2-CD1 3.55Å; L12-L357 HydrophobicContact CD2-CD1 3.61Å; L12-L357 HydrophobicContact CG-CD1 3.91Å
13N94Very high89.5Confident46 Ų4660.6 Ų60.625%0.24632%0.316CS..Hα-helixtrans-64.4-43.1175.7-80.7-38.3000111.5M9 Y10 Y16 Q17 K249M9-N13 WeakPolarHBondContact O-CB 3.05Å; M9-N13 PolarHBondContact O-N 3.26Å; M9-N13 PolarHBondContact O-ND2 3.16Å; M9-N13 VanDerWaalsContact O-ND2 3.13Å; Y10-N13 PolarHBondContact O-N 3.29Å; N13-Y16 WeakPolarHBondContact O-CB 3.27Å; N13-Y16 PolarHBondContact O-N 2.72Å; N13-Q17 WeakPolarHBondContact O-CG 3.45Å; N13-Q17 PolarHBondContact O-N 3.37Å; N13-K249 PolarHBondContact OD1-NZ 3.06Å
14R95.3Very high91.5Very high69 Ų6962.8 Ų62.826%0.2631%0.313SS..Hα-helixtrans-61.4-49.5174.7-179176.4153.3-156.6-15.6111.6Y10 Q11 Y16 Q17 E18 E358Y10-R14 WeakPolarHBondContact O-CB 3.5Å; Y10-R14 PolarHBondContact O-N 3.15Å; Q11-R14 PolarHBondContact O-N 3.37Å; R14-Y16 PolarHBondContact O-N 3.01Å; R14-Q17 PolarHBondContact O-N 2.94Å; R14-Q17 VanDerWaalsContact O-N 3.13Å; R14-E18 HydrophobicContact CG-CG 4.34Å; R14-E18 WeakPolarHBondContact CG-OE1 3.29Å; R14-E18 IonicContact NE-OE1 3.04Å; R14-E18 PolarHBondContact NE-OE1 2.89Å; R14-E18 IonicContact NE-OE2 3.73Å; R14-E18 WeakPolarHBondContact O-CB 3.41Å; R14-E18 WeakPolarHBondContact O-CG 3.18Å; R14-E18 PolarHBondContact O-N 3.26Å; R14-E358 IonicContact CZ-OE1 3.77Å; R14-E358 IonicContact NH1-OE1 2.8Å; R14-E358 PolarHBondContact NH1-OE1 2.8Å; R14-E358 IonicContact NH1-OE2 3.96Å
15F96.4Very high92.8Very high4 Ų458.7 Ų58.72%0.01831%0.305CS..Hα-helixtrans-56.4-40.7174.8-177.9-92.8000112Q11 L12 R19 V20 I253 T256 L257 L357 L360Q11-F15 WeakPolarHBondContact O-CB 3.46Å; Q11-F15 PolarHBondContact O-N 2.83Å; L12-F15 PolarHBondContact O-N 3.26Å; F15-R19 HydrophobicContact CD1-CB 4.48Å; F15-R19 HydrophobicContact CD2-CB 4.03Å; F15-R19 HydrophobicContact CD2-CG 3.64Å; F15-R19 HydrophobicContact CE1-CB 4.27Å; F15-R19 HydrophobicContact CE2-CB 3.82Å; F15-R19 HydrophobicContact CE2-CG 3.63Å; F15-R19 HydrophobicContact CG-CB 4.36Å; F15-R19 HydrophobicContact CG-CG 4.32Å; F15-R19 HydrophobicContact CZ-CB 3.95Å; F15-R19 HydrophobicContact CZ-CG 4.28Å; F15-R19 WeakPolarHBondContact O-CA 3.14Å; F15-R19 WeakPolarHBondContact O-CB 3.42Å; F15-R19 PolarHBondContact O-N 2.89Å; F15-V20 HydrophobicContact CD1-CG2 3.86Å; F15-V20 HydrophobicContact CE1-CG2 3.76Å; F15-V20 PolarHBondContact O-N 3.34Å; F15-I253 HydrophobicContact CD1-CG1 4.47Å; F15-I253 HydrophobicContact CD1-CG2 4.1Å; F15-I253 HydrophobicContact CE1-CG2 3.99Å; F15-T256 HydrophobicContact CE1-CG2 3.93Å; F15-T256 HydrophobicContact CZ-CG2 3.75Å; F15-L257 HydrophobicContact CE1-CD2 4.28Å; F15-L257 HydrophobicContact CE1-CG 4.26Å; F15-L257 HydrophobicContact CE2-CD2 4.12Å; F15-L257 HydrophobicContact CZ-CD2 3.67Å; F15-L257 HydrophobicContact CZ-CG 4.04Å; F15-L357 HydrophobicContact CB-CB 4.29Å; F15-L357 HydrophobicContact CB-CD2 4.28Å; F15-L357 HydrophobicContact CD1-CD2 4.47Å; F15-L357 HydrophobicContact CD2-CB 4.31Å; F15-L357 HydrophobicContact CD2-CD2 3.82Å; F15-L357 HydrophobicContact CE2-CD2 4.24Å; F15-L357 HydrophobicContact CG-CD2 3.94Å; F15-L360 HydrophobicContact CE2-CB 4.38Å; F15-L360 WeakPolarHBondContact CE2-OXT 3.32Å
16Y97Very high93.9Very high46 Ų4657.3 Ų57.318%0.1830%0.297CS..Iπ-helixtrans-61.9-49.9175.9-172.6-90.1000111.5L12 N13 R14 E18 V20 T21 K24 K249 A252 I253L12-Y16 WeakPolarHBondContact O-CB 3.33Å; L12-Y16 PolarHBondContact O-N 3.2Å; N13-Y16 WeakPolarHBondContact O-CB 3.27Å; N13-Y16 PolarHBondContact O-N 2.72Å; R14-Y16 PolarHBondContact O-N 3.01Å; Y16-E18 PolarHBondContact O-N 2.7Å; Y16-V20 HydrophobicContact CD2-CB 3.81Å; Y16-V20 HydrophobicContact CD2-CG1 3.79Å; Y16-V20 HydrophobicContact CD2-CG2 3.95Å; Y16-V20 HydrophobicContact CE2-CB 4.17Å; Y16-V20 HydrophobicContact CE2-CG1 3.65Å; Y16-V20 HydrophobicContact CG-CB 4.22Å; Y16-V20 HydrophobicContact CG-CG2 4.47Å; Y16-V20 WeakPolarHBondContact O-CB 3.44Å; Y16-V20 PolarHBondContact O-N 2.99Å; Y16-T21 PolarHBondContact O-N 3.32Å; Y16-T21 PolarHBondContact O-OG1 2.9Å; Y16-K24 PolarHBondContact OH-NZ 2.98Å; Y16-K249 HydrophobicContact CD2-CD 4.43Å; Y16-K249 HydrophobicContact CD2-CG 3.68Å; Y16-K249 HydrophobicContact CE2-CB 4.42Å; Y16-K249 HydrophobicContact CE2-CD 4.49Å; Y16-K249 HydrophobicContact CE2-CG 3.59Å; Y16-K249 HydrophobicContact CG-CG 4.41Å; Y16-A252 HydrophobicContact CE2-CB 4.19Å; Y16-I253 HydrophobicContact CD2-CD1 4.28Å; Y16-I253 HydrophobicContact CD2-CG1 3.96Å
17Q97.1Very high94.6Very high128 Ų12853.7 Ų53.760%0.59827%0.272SS*.Iπ-helixtrans-66.3-38.1-178.6-66.9-57.8-19.900113.1N13 R14 T21N13-Q17 WeakPolarHBondContact O-CG 3.45Å; N13-Q17 PolarHBondContact O-N 3.37Å; R14-Q17 PolarHBondContact O-N 2.94Å; R14-Q17 VanDerWaalsContact O-N 3.13Å; Q17-T21 VanDerWaalsContact O-CB 3.26Å; Q17-T21 WeakPolarHBondContact O-CB 3.26Å; Q17-T21 PolarHBondContact O-OG1 3.46Å
18E96.3Very high94.9Very high91 Ų9153 Ų5343%0.42528%0.275SS..Iπ-helixtrans-85.7-54.9-176.5-67.3176.2-168.900112.4R14 Y16 A22R14-E18 HydrophobicContact CG-CG 4.34Å; R14-E18 WeakPolarHBondContact CG-OE1 3.29Å; R14-E18 IonicContact NE-OE1 3.04Å; R14-E18 PolarHBondContact NE-OE1 2.89Å; R14-E18 IonicContact NE-OE2 3.73Å; R14-E18 WeakPolarHBondContact O-CB 3.41Å; R14-E18 WeakPolarHBondContact O-CG 3.18Å; R14-E18 PolarHBondContact O-N 3.26Å; Y16-E18 PolarHBondContact O-N 2.7Å; E18-A22 WeakPolarHBondContact O-CB 3.37Å
19R96.4Very high95.3Very high85 Ų8558.7 Ų58.732%0.32130%0.298SS..Iπ-helixtrans-91.5-47.4-169.8-55.2-58.6-162.4-157-5.8112F15 R23 T256 L360F15-R19 HydrophobicContact CD1-CB 4.48Å; F15-R19 HydrophobicContact CD2-CB 4.03Å; F15-R19 HydrophobicContact CD2-CG 3.64Å; F15-R19 HydrophobicContact CE1-CB 4.27Å; F15-R19 HydrophobicContact CE2-CB 3.82Å; F15-R19 HydrophobicContact CE2-CG 3.63Å; F15-R19 HydrophobicContact CG-CB 4.36Å; F15-R19 HydrophobicContact CG-CG 4.32Å; F15-R19 HydrophobicContact CZ-CB 3.95Å; F15-R19 HydrophobicContact CZ-CG 4.28Å; F15-R19 WeakPolarHBondContact O-CA 3.14Å; F15-R19 WeakPolarHBondContact O-CB 3.42Å; F15-R19 PolarHBondContact O-N 2.89Å; R19-R23 WeakPolarHBondContact O-CB 3.29Å; R19-R23 PolarHBondContact O-N 3.49Å; R19-T256 HydrophobicContact CB-CG2 4Å; R19-L360 PolarHBondContact NE-O 3.04Å; R19-L360 PolarHBondContact NH2-O 2.81Å
20V97.6Very high95.7Very high0 Ų056.3 Ų56.30%029%0.287CS..Iπ-helixtrans-70.2-43.2-175.8-177.10000110.8F15 Y16 R23 K24 A252 I253 T256F15-V20 HydrophobicContact CD1-CG2 3.86Å; F15-V20 HydrophobicContact CE1-CG2 3.76Å; F15-V20 PolarHBondContact O-N 3.34Å; Y16-V20 HydrophobicContact CD2-CB 3.81Å; Y16-V20 HydrophobicContact CD2-CG1 3.79Å; Y16-V20 HydrophobicContact CD2-CG2 3.95Å; Y16-V20 HydrophobicContact CE2-CB 4.17Å; Y16-V20 HydrophobicContact CE2-CG1 3.65Å; Y16-V20 HydrophobicContact CG-CB 4.22Å; Y16-V20 HydrophobicContact CG-CG2 4.47Å; Y16-V20 WeakPolarHBondContact O-CB 3.44Å; Y16-V20 PolarHBondContact O-N 2.99Å; V20-R23 PolarHBondContact O-N 3.17Å; V20-K24 HydrophobicContact CG1-CD 4.34Å; V20-K24 WeakPolarHBondContact O-CB 3.38Å; V20-K24 WeakPolarHBondContact O-CG 3.34Å; V20-K24 PolarHBondContact O-N 3.28Å; V20-A252 HydrophobicContact CG1-CB 3.64Å; V20-I253 HydrophobicContact CG2-CG1 3.95Å; V20-T256 HydrophobicContact CG2-CG2 4.2Å; V20-T256 WeakPolarHBondContact CG2-OG1 3.42Å
21T97.6Very high95.9Very high58 Ų5850.8 Ų50.836%0.35627%0.267SS..Hα-helixtrans-63.2-44.3176-58.40000111.6Y16 Q17 R23 K24 A25Y16-T21 PolarHBondContact O-N 3.32Å; Y16-T21 PolarHBondContact O-OG1 2.9Å; Q17-T21 VanDerWaalsContact O-CB 3.26Å; Q17-T21 WeakPolarHBondContact O-CB 3.26Å; Q17-T21 PolarHBondContact O-OG1 3.46Å; T21-R23 PolarHBondContact O-N 3.24Å; T21-K24 PolarHBondContact O-N 3.36Å; T21-A25 WeakPolarHBondContact O-CB 3.44Å; T21-A25 PolarHBondContact O-N 3.46Å
22A97.3Very high96Very high58 Ų5855 Ų5548%0.47928%0.283SS..Hα-helixtrans-61-44.5176.200000111.9E18 A25 S26E18-A22 WeakPolarHBondContact O-CB 3.37Å; A22-A25 PolarHBondContact O-N 3.32Å; A22-S26 WeakPolarHBondContact O-CB 3.21Å; A22-S26 PolarHBondContact O-N 2.84Å
23R96.8Very high96Very high37 Ų3757.7 Ų57.714%0.1430%0.297CS..Hα-helixtrans-56.9-51.1173.3-179.5-169.2179-76.6-7.1111.2R19 V20 T21 A25 S26 S27 T256 D259R19-R23 WeakPolarHBondContact O-CB 3.29Å; R19-R23 PolarHBondContact O-N 3.49Å; V20-R23 PolarHBondContact O-N 3.17Å; T21-R23 PolarHBondContact O-N 3.24Å; R23-A25 PolarHBondContact O-N 3.26Å; R23-S26 PolarHBondContact O-N 3.39Å; R23-S27 WeakPolarHBondContact O-CB 3.31Å; R23-S27 PolarHBondContact O-N 2.82Å; R23-S27 PolarHBondContact O-OG 3.43Å; R23-S27 VanDerWaalsContact O-OG 3.1Å; R23-T256 WeakPolarHBondContact CD-OG1 3.31Å; R23-D259 IonicContact CZ-OD2 3.94Å; R23-D259 IonicContact NE-OD2 3.32Å; R23-D259 PolarHBondContact NE-OD2 3.38Å; R23-D259 IonicContact NH2-OD2 3.36Å; R23-D259 PolarHBondContact NH2-OD2 3.3Å
24K96.2Very high96.1Very high89 Ų8955.6 Ų55.639%0.38729%0.286SS..Hα-helixtrans-59.2-45.9179.4-76.9179.9175.3-1790111.9Y16 V20 T21 A28Y16-K24 PolarHBondContact OH-NZ 2.98Å; V20-K24 HydrophobicContact CG1-CD 4.34Å; V20-K24 WeakPolarHBondContact O-CB 3.38Å; V20-K24 WeakPolarHBondContact O-CG 3.34Å; V20-K24 PolarHBondContact O-N 3.28Å; T21-K24 PolarHBondContact O-N 3.36Å; K24-A28 WeakPolarHBondContact O-CB 3.43Å; K24-A28 PolarHBondContact O-N 3.14Å
25A95.8Very high96.2Very high61 Ų6152.3 Ų52.350%0.50427%0.273SS..Hα-helixtrans-63.8-45.5179.900000111.8T21 A22 R23 A28 K29T21-A25 WeakPolarHBondContact O-CB 3.44Å; T21-A25 PolarHBondContact O-N 3.46Å; A22-A25 PolarHBondContact O-N 3.32Å; R23-A25 PolarHBondContact O-N 3.26Å; A25-A28 PolarHBondContact O-N 3.44Å; A25-K29 WeakPolarHBondContact O-CB 3.29Å; A25-K29 PolarHBondContact O-N 3.4Å
26S96.6Very high96.1Very high71 Ų7157.4 Ų57.450%0.49730%0.295SS..Hα-helixtrans-63.1-50.4176.8176.70000111.5A22 R23 A28 K29 T30A22-S26 WeakPolarHBondContact O-CB 3.21Å; A22-S26 PolarHBondContact O-N 2.84Å; R23-S26 PolarHBondContact O-N 3.39Å; S26-A28 VanDerWaalsContact C-N 3.33Å; S26-A28 PolarHBondContact O-N 3.02Å; S26-K29 PolarHBondContact O-N 3.05Å; S26-T30 PolarHBondContact O-N 2.94Å; S26-T30 PolarHBondContact O-OG1 3.18Å; S26-T30 VanDerWaalsContact O-OG1 3.1Å
27S95.4Very high96Very high5 Ų555.5 Ų55.54%0.03529%0.288CS..Hα-helixtrans-63.2-37.9179.2-59.90000112.5R23 T30 L31R23-S27 WeakPolarHBondContact O-CB 3.31Å; R23-S27 PolarHBondContact O-N 2.82Å; R23-S27 PolarHBondContact O-OG 3.43Å; R23-S27 VanDerWaalsContact O-OG 3.1Å; S27-T30 PolarHBondContact O-N 2.95Å; S27-L31 VanDerWaalsContact O-CB 3.22Å; S27-L31 WeakPolarHBondContact O-CB 3.47Å; S27-L31 PolarHBondContact O-N 3.36Å
28A94Very high96Very high39 Ų3949.4 Ų49.432%0.32226%0.26SS..Hα-helixtrans-66.8-38.8176.900000112.2K24 A25 S26 R32K24-A28 WeakPolarHBondContact O-CB 3.43Å; K24-A28 PolarHBondContact O-N 3.14Å; A25-A28 PolarHBondContact O-N 3.44Å; S26-A28 VanDerWaalsContact C-N 3.33Å; S26-A28 PolarHBondContact O-N 3.02Å; A28-R32 PolarHBondContact O-N 3.46Å; A28-R32 VanDerWaalsContact O-N 3.13Å
29K94.9Very high96Very high130 Ų13047.5 Ų47.557%0.56525%0.251SS*.Hα-helixtrans-62.7-50.7173.6-177.7-179.1176.5-179.70110.9A25 S26 L31 R32 D33A25-K29 WeakPolarHBondContact O-CB 3.29Å; A25-K29 PolarHBondContact O-N 3.4Å; S26-K29 PolarHBondContact O-N 3.05Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.35Å; K29-R32 PolarHBondContact O-N 2.82Å; K29-D33 PolarHBondContact O-N 3.11Å
30T96.4Very high96Very high13 Ų1345.1 Ų45.18%0.0824%0.244CC..Hα-helixtrans-60.9-42.6178.8-55.60000111.7S26 S27 R32 D33 V34 F74 Y166S26-T30 PolarHBondContact O-N 2.94Å; S26-T30 PolarHBondContact O-OG1 3.18Å; S26-T30 VanDerWaalsContact O-OG1 3.1Å; S27-T30 PolarHBondContact O-N 2.95Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.3Å; T30-D33 PolarHBondContact O-N 2.76Å; T30-V34 HydrophobicContact CG2-CG2 4.35Å; T30-V34 WeakPolarHBondContact O-CB 3.36Å; T30-V34 WeakPolarHBondContact O-CG2 3.43Å; T30-V34 PolarHBondContact O-N 3.46Å; T30-F74 HydrophobicContact CG2-CE2 3.76Å; T30-F74 HydrophobicContact CG2-CZ 3.54Å; T30-Y166 HydrophobicContact CG2-CD1 3.73Å; T30-Y166 HydrophobicContact CG2-CD2 4.29Å; T30-Y166 HydrophobicContact CG2-CE1 3.44Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.44Å; T30-Y166 HydrophobicContact CG2-CE2 4.03Å; T30-Y166 HydrophobicContact CG2-CG 4.13Å
31L96Very high96Very high20 Ų2045.1 Ų45.111%0.10524%0.244CC..Hα-helixtrans-60.7-42.3178.6-176.965000111.6S27 K29 D33 V34 C35 A66 V68 F74S27-L31 VanDerWaalsContact O-CB 3.22Å; S27-L31 WeakPolarHBondContact O-CB 3.47Å; S27-L31 PolarHBondContact O-N 3.36Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.35Å; L31-D33 VanDerWaalsContact C-N 3.35Å; L31-D33 PolarHBondContact O-N 2.96Å; L31-V34 PolarHBondContact O-N 3.45Å; L31-C35 WeakPolarHBondContact O-CB 3.41Å; L31-C35 PolarHBondContact O-N 3.28Å; L31-C35 PolarHBondContact O-SG 2.67Å; L31-A66 HydrophobicContact CD1-CB 4.16Å; L31-A66 HydrophobicContact CD2-CB 4.25Å; L31-V68 HydrophobicContact CD2-CG2 4.15Å; L31-F74 HydrophobicContact CB-CD1 4.41Å; L31-F74 HydrophobicContact CB-CE1 4.11Å; L31-F74 HydrophobicContact CD1-CB 4.42Å; L31-F74 HydrophobicContact CD1-CD1 3.61Å; L31-F74 HydrophobicContact CD1-CE1 4.17Å; L31-F74 HydrophobicContact CD1-CG 4.18Å
32R94.8Very high96Very high94 Ų9442.3 Ų42.336%0.35523%0.227SC..Hα-helixtrans-59-44.3174.3-78.8-171.5-63.3-92.42.7112.5A28 K29 T30 C35 K36 Y63A28-R32 PolarHBondContact O-N 3.46Å; A28-R32 VanDerWaalsContact O-N 3.13Å; K29-R32 PolarHBondContact O-N 2.82Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.3Å; R32-C35 PolarHBondContact O-N 3.07Å; R32-K36 WeakPolarHBondContact O-CG 3.48Å; R32-K36 PolarHBondContact O-N 2.73Å; R32-Y63 HydrophobicContact CB-CE2 4.45Å; R32-Y63 HydrophobicContact CG-CE2 3.91Å
33D94.3Very high96Very high67 Ų6746.4 Ų46.436%0.35823%0.234SC..Hα-helixtrans-66.1-41.3179.1-68.1-17000111.6K29 T30 L31K29-D33 PolarHBondContact O-N 3.11Å; T30-D33 PolarHBondContact O-N 2.76Å; L31-D33 VanDerWaalsContact C-N 3.35Å; L31-D33 PolarHBondContact O-N 2.96Å
34V96.5Very high96Very high2 Ų247.2 Ų47.21%0.01224%0.24CC..Hα-helixtrans-61.8-47.8174.4159.70000111.4T30 L31 K36 I37 V38 F74 I76 I162 V168T30-V34 HydrophobicContact CG2-CG2 4.35Å; T30-V34 WeakPolarHBondContact O-CB 3.36Å; T30-V34 WeakPolarHBondContact O-CG2 3.43Å; T30-V34 PolarHBondContact O-N 3.46Å; L31-V34 PolarHBondContact O-N 3.45Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.73Å; V34-I37 PolarHBondContact O-N 2.94Å; V34-I37 VanDerWaalsContact O-N 3.15Å; V34-V38 HydrophobicContact CG1-CG2 4.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.46Å; V34-V38 PolarHBondContact O-N 3.28Å; V34-F74 HydrophobicContact CG2-CD2 4.19Å; V34-F74 HydrophobicContact CG2-CE2 4.17Å; V34-I76 HydrophobicContact CG1-CD1 4.36Å; V34-I162 HydrophobicContact CG1-CD1 4.25Å; V34-I162 HydrophobicContact CG2-CD1 4.27Å; V34-V168 HydrophobicContact CB-CG2 4.41Å; V34-V168 HydrophobicContact CG1-CB 4.29Å; V34-V168 HydrophobicContact CG1-CG1 3.91Å; V34-V168 HydrophobicContact CG1-CG2 3.39Å; V34-V168 HydrophobicContact CG2-CG2 4.14Å
35C96.1Very high96.1Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-61.5-36.7-177.7-74.40000112.1L31 R32 I37 V38 Q39 L56 Y63L31-C35 WeakPolarHBondContact O-CB 3.41Å; L31-C35 PolarHBondContact O-N 3.28Å; L31-C35 PolarHBondContact O-SG 2.67Å; R32-C35 PolarHBondContact O-N 3.07Å; C35-I37 VanDerWaalsContact C-N 3.34Å; C35-I37 PolarHBondContact O-N 2.75Å; C35-V38 PolarHBondContact O-N 3.28Å; C35-Q39 WeakPolarHBondContact O-CB 3.05Å; C35-Q39 VanDerWaalsContact O-CG 3.26Å; C35-Q39 WeakPolarHBondContact O-CG 3.37Å; C35-Q39 PolarHBondContact O-N 2.75Å; C35-L56 HydrophobicContact CB-CD2 3.99Å; C35-Y63 HydrophobicContact CB-CD1 4.01Å; C35-Y63 HydrophobicContact CB-CD2 3.96Å; C35-Y63 HydrophobicContact CB-CE1 3.66Å; C35-Y63 HydrophobicContact CB-CE2 3.6Å; C35-Y63 HydrophobicContact CB-CG 4.15Å; C35-Y63 VanDerWaalsContact CB-CZ 3.46Å; C35-Y63 VanDerWaalsContact SG-CD2 3.51Å
36K94.2Very high96.2Very high111 Ų11143.1 Ų43.148%0.48321%0.212SC..Hα-helixtrans-59.6-43.5175.1-73.8174.9-179.5179.20112.5R32 V34 Q39 D40R32-K36 WeakPolarHBondContact O-CG 3.48Å; R32-K36 PolarHBondContact O-N 2.73Å; V34-K36 VanDerWaalsContact C-N 3.29Å; V34-K36 PolarHBondContact O-N 2.73Å; K36-Q39 PolarHBondContact O-N 3.16Å; K36-D40 PolarHBondContact O-N 3.4Å
37I96.6Very high96.2Very high6 Ų643.4 Ų43.43%0.03122%0.218CC..Hα-helixtrans-67.1-43.2178-62.9169.4000110V34 C35 Q39 D40 I41 Y145 V149 I162V34-I37 PolarHBondContact O-N 2.94Å; V34-I37 VanDerWaalsContact O-N 3.15Å; C35-I37 VanDerWaalsContact C-N 3.34Å; C35-I37 PolarHBondContact O-N 2.75Å; I37-Q39 PolarHBondContact O-N 3.43Å; I37-D40 WeakPolarHBondContact O-CB 3.34Å; I37-D40 PolarHBondContact O-N 2.78Å; I37-I41 HydrophobicContact CG2-CD1 3.97Å; I37-I41 WeakPolarHBondContact O-CG1 3.5Å; I37-I41 PolarHBondContact O-N 2.87Å; I37-I41 VanDerWaalsContact O-N 3.1Å; I37-Y145 HydrophobicContact CB-CD2 4.17Å; I37-Y145 HydrophobicContact CB-CE2 4.48Å; I37-Y145 HydrophobicContact CB-CG 4.39Å; I37-Y145 HydrophobicContact CD1-CD1 4.43Å; I37-Y145 HydrophobicContact CG1-CD1 3.92Å; I37-Y145 HydrophobicContact CG1-CD2 3.96Å; I37-Y145 HydrophobicContact CG1-CE1 4.07Å; I37-Y145 HydrophobicContact CG1-CE2 4.09Å; I37-Y145 HydrophobicContact CG1-CG 3.87Å; I37-Y145 HydrophobicContact CG2-CD2 4.06Å; I37-Y145 HydrophobicContact CG2-CG 4.08Å; I37-V149 HydrophobicContact CG2-CB 4.27Å; I37-V149 HydrophobicContact CG2-CG1 4.49Å; I37-V149 HydrophobicContact CG2-CG2 4.33Å; I37-I162 HydrophobicContact CB-CD1 4.14Å; I37-I162 HydrophobicContact CD1-CD1 4.23Å; I37-I162 HydrophobicContact CD1-CG2 3.5Å; I37-I162 HydrophobicContact CG2-CD1 3.97Å; I37-I162 HydrophobicContact CG2-CG1 4.44Å
38V97.2Very high96.2Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-65.9-38.1178.9173.80000111.8V34 C35 D40 I41 L42 L56 I76 L160 V168 I170V34-V38 HydrophobicContact CG1-CG2 4.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.46Å; V34-V38 PolarHBondContact O-N 3.28Å; C35-V38 PolarHBondContact O-N 3.28Å; V38-D40 VanDerWaalsContact C-N 3.33Å; V38-D40 PolarHBondContact O-N 3.32Å; V38-I41 PolarHBondContact O-N 3.3Å; V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.12Å; V38-L42 WeakPolarHBondContact O-CB 3.38Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.17Å; V38-L42 PolarHBondContact O-N 2.99Å; V38-L56 HydrophobicContact CB-CD2 4.11Å; V38-L56 HydrophobicContact CG1-CD2 3.87Å; V38-I76 HydrophobicContact CB-CD1 3.93Å; V38-I76 HydrophobicContact CG1-CD1 3.79Å; V38-I76 HydrophobicContact CG1-CG2 4.48Å; V38-I76 HydrophobicContact CG2-CD1 3.77Å; V38-L160 HydrophobicContact CG2-CD1 4.3Å; V38-V168 HydrophobicContact CG2-CG1 4.05Å; V38-I170 HydrophobicContact CG1-CD1 3.73Å; V38-I170 HydrophobicContact CG1-CG1 4.22Å; V38-I170 HydrophobicContact CG2-CD1 4.45Å
39Q96Very high96.4Very high52 Ų5244.9 Ų44.924%0.24322%0.218CC..Hα-helixtrans-60.8-40.9174-76.5173.6-29.200112.1C35 K36 I37 L42 K43 L56C35-Q39 WeakPolarHBondContact O-CB 3.05Å; C35-Q39 VanDerWaalsContact O-CG 3.26Å; C35-Q39 WeakPolarHBondContact O-CG 3.37Å; C35-Q39 PolarHBondContact O-N 2.75Å; K36-Q39 PolarHBondContact O-N 3.16Å; I37-Q39 PolarHBondContact O-N 3.43Å; Q39-L42 PolarHBondContact O-N 2.75Å; Q39-K43 VanDerWaalsContact O-CG 3.3Å; Q39-K43 WeakPolarHBondContact O-CG 3.42Å; Q39-K43 PolarHBondContact O-N 3.15Å; Q39-L56 HydrophobicContact CG-CB 4.36Å; Q39-L56 HydrophobicContact CG-CD2 3.95Å; Q39-L56 HydrophobicContact CG-CG 4.22Å; Q39-L56 PolarHBondContact NE2-O 3.4Å
40D96.6Very high96.5Very high34 Ų3442.9 Ų42.918%0.18222%0.218CC..Hα-helixtrans-62.1-47.6176-175.382.6000111.7K36 I37 V38 L42 K43 E44 S143 Q144 Y145K36-D40 PolarHBondContact O-N 3.4Å; I37-D40 WeakPolarHBondContact O-CB 3.34Å; I37-D40 PolarHBondContact O-N 2.78Å; V38-D40 VanDerWaalsContact C-N 3.33Å; V38-D40 PolarHBondContact O-N 3.32Å; D40-L42 PolarHBondContact O-N 3.29Å; D40-K43 WeakPolarHBondContact O-CB 3.49Å; D40-K43 PolarHBondContact O-N 3.4Å; D40-E44 PolarHBondContact O-N 3.16Å; D40-S143 WeakPolarHBondContact OD2-CB 3.44Å; D40-S143 PolarHBondContact OD2-OG 3.34Å; D40-Q144 PolarHBondContact OD1-NE2 3.31Å; D40-Y145 HydrophobicContact CB-CD2 3.87Å; D40-Y145 HydrophobicContact CB-CE2 3.79Å
41I97.7Very high96.4Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-61.4-45.9177-66.5166.5000110.8I37 V38 K43 E44 V45 V136 A139 V140 V149 L160I37-I41 HydrophobicContact CG2-CD1 3.97Å; I37-I41 WeakPolarHBondContact O-CG1 3.5Å; I37-I41 PolarHBondContact O-N 2.87Å; I37-I41 VanDerWaalsContact O-N 3.1Å; V38-I41 PolarHBondContact O-N 3.3Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 2.88Å; I41-E44 PolarHBondContact O-N 3.47Å; I41-V45 WeakPolarHBondContact O-CG2 3.15Å; I41-V45 PolarHBondContact O-N 3.07Å; I41-V136 HydrophobicContact CG2-CG1 4.12Å; I41-A139 HydrophobicContact CG2-CB 3.96Å; I41-V140 HydrophobicContact CD1-CG2 4.02Å; I41-V140 HydrophobicContact CG1-CG2 4.45Å; I41-V149 HydrophobicContact CD1-CG1 4.13Å; I41-V149 HydrophobicContact CD1-CG2 3.87Å; I41-L160 HydrophobicContact CD1-CD1 3.47Å; I41-L160 VanDerWaalsContact CD1-CD1 3.47Å
42L97.4Very high96.5Very high0 Ų043.1 Ų43.10%022%0.216CC..Hα-helixtrans-65.7-31.7-179.9-72.1176.8000112.6V38 Q39 D40 V45 E46 S54 L78 F132V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.12Å; V38-L42 WeakPolarHBondContact O-CB 3.38Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.17Å; V38-L42 PolarHBondContact O-N 2.99Å; Q39-L42 PolarHBondContact O-N 2.75Å; D40-L42 PolarHBondContact O-N 3.29Å; L42-V45 PolarHBondContact O-N 3.11Å; L42-E46 WeakPolarHBondContact O-CB 3.49Å; L42-E46 PolarHBondContact O-N 2.91Å; L42-S54 WeakPolarHBondContact CD1-OG 3.48Å; L42-L78 HydrophobicContact CD1-CD1 4.19Å; L42-L78 HydrophobicContact CD2-CD1 4.47Å; L42-L78 HydrophobicContact CD2-CD2 3.97Å; L42-F132 HydrophobicContact CD2-CE2 4.08Å; L42-F132 HydrophobicContact CD2-CZ 3.86Å
43K96.6Very high96.5Very high143 Ų14342.1 Ų42.162%0.62222%0.217SC*.Hα-helixtrans-63.4-41.8172.8-77.4173.8-179.2-1770112.1Q39 D40 I41 E46 A47Q39-K43 VanDerWaalsContact O-CG 3.3Å; Q39-K43 WeakPolarHBondContact O-CG 3.42Å; Q39-K43 PolarHBondContact O-N 3.15Å; D40-K43 WeakPolarHBondContact O-CB 3.49Å; D40-K43 PolarHBondContact O-N 3.4Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 2.88Å; K43-E46 PolarHBondContact O-N 3.33Å; K43-A47 WeakPolarHBondContact O-CB 3.19Å; K43-A47 PolarHBondContact O-N 2.89Å
44E97.2Very high96.4Very high54 Ų5440.3 Ų40.325%0.25221%0.209SC..Hα-helixtrans-69.8-34.6176.2179.558.3-147.800111.7D40 I41 Q48 A139 K142D40-E44 PolarHBondContact O-N 3.16Å; I41-E44 PolarHBondContact O-N 3.47Å; E44-Q48 WeakPolarHBondContact O-CG 3.44Å; E44-Q48 PolarHBondContact O-N 3.25Å; E44-Q48 PolarHBondContact OE1-NE2 2.85Å; E44-A139 HydrophobicContact CB-CB 3.88Å; E44-A139 HydrophobicContact CG-CB 3.75Å; E44-K142 HydrophobicContact CG-CB 4.11Å; E44-K142 HydrophobicContact CG-CD 4.08Å; E44-K142 WeakPolarHBondContact OE1-CD 3.09Å; E44-K142 IonicContact OE1-NZ 2.67Å; E44-K142 PolarHBondContact OE1-NZ 2.89Å; E44-K142 VanDerWaalsContact OE1-NZ 3.08Å
45V98.1Very high96.2Very high0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-62-48170.8171.30000111I41 L42 A47 Q48 E49 F52 F132 L135 V136 A139I41-V45 WeakPolarHBondContact O-CG2 3.15Å; I41-V45 PolarHBondContact O-N 3.07Å; L42-V45 PolarHBondContact O-N 3.11Å; V45-A47 VanDerWaalsContact C-N 3.31Å; V45-A47 PolarHBondContact O-N 3.45Å; V45-Q48 PolarHBondContact O-N 3.26Å; V45-Q48 VanDerWaalsContact O-N 3.12Å; V45-E49 PolarHBondContact O-N 3.13Å; V45-F52 HydrophobicContact CG1-CB 3.83Å; V45-F52 HydrophobicContact CG1-CD2 4.32Å; V45-F52 HydrophobicContact CG1-CG 4.33Å; V45-F132 HydrophobicContact CG1-CD2 4.31Å; V45-F132 HydrophobicContact CG1-CE2 4.06Å; V45-L135 HydrophobicContact CG1-CB 3.99Å; V45-L135 HydrophobicContact CG1-CD1 4.25Å; V45-L135 HydrophobicContact CG2-CB 4.25Å; V45-V136 HydrophobicContact CG2-CG2 3.79Å; V45-A139 HydrophobicContact CG2-CB 3.63Å
46E97.3Very high95.9Very high65 Ų6542.6 Ų42.630%0.30422%0.223SC..Hα-helixtrans-62.5-37.2179.8-171.7178.7156.300112L42 K43 Q48 E49 P50 S54L42-E46 WeakPolarHBondContact O-CB 3.49Å; L42-E46 PolarHBondContact O-N 2.91Å; K43-E46 PolarHBondContact O-N 3.33Å; E46-Q48 PolarHBondContact O-N 3.47Å; E46-E49 CarbonylContact O-C 3.54Å; E46-E49 PolarHBondContact O-N 3.26Å; E46-P50 WeakPolarHBondContact O-CA 3.3Å; E46-P50 VanDerWaalsContact O-N 3.16Å; E46-S54 PolarHBondContact OE2-N 3.49Å
47A96.7Very high95.5Very high76 Ų7641 Ų4163%0.62822%0.223SC*.Hα-helixtrans-61.3-31.3175.100000112.9K43 V45K43-A47 WeakPolarHBondContact O-CB 3.19Å; K43-A47 PolarHBondContact O-N 2.89Å; V45-A47 VanDerWaalsContact C-N 3.31Å; V45-A47 PolarHBondContact O-N 3.45Å
48Q96.5Very high95.1Very high54 Ų5444.9 Ų44.925%0.25224%0.241SC..Hα-helixtrans-89.4-31.4177.1-64.3177.741.900112.7E44 V45 E46 L135 Q138E44-Q48 WeakPolarHBondContact O-CG 3.44Å; E44-Q48 PolarHBondContact O-N 3.25Å; E44-Q48 PolarHBondContact OE1-NE2 2.85Å; V45-Q48 PolarHBondContact O-N 3.26Å; V45-Q48 VanDerWaalsContact O-N 3.12Å; E46-Q48 PolarHBondContact O-N 3.47Å; Q48-L135 HydrophobicContact CB-CD2 4Å; Q48-Q138 VanDerWaalsContact OE1-OE1 3.12Å
49E97.1Very high94.4Very high22 Ų2249.8 Ų49.810%0.10327%0.267CS..  trans-142.891.4-177.6-177.656.4-102.500110.1V45 E46 R51 F52 L135V45-E49 PolarHBondContact O-N 3.13Å; E46-E49 CarbonylContact O-C 3.54Å; E46-E49 PolarHBondContact O-N 3.26Å; E49-R51 HydrophobicContact CG-CB 4.46Å; E49-R51 PolarHBondContact O-N 3.46Å; E49-R51 IonicContact OE1-CZ 3.28Å; E49-R51 IonicContact OE1-NE 3.29Å; E49-R51 PolarHBondContact OE1-NE 3.31Å; E49-R51 IonicContact OE1-NH2 2.75Å; E49-R51 PolarHBondContact OE1-NH2 3.48Å; E49-R51 IonicContact OE2-CZ 3.07Å; E49-R51 IonicContact OE2-NE 3.94Å; E49-R51 IonicContact OE2-NH2 3.17Å; E49-R51 PolarHBondContact OE2-NH2 2.87Å; E49-F52 HydrophobicContact CB-CD2 3.93Å; E49-F52 HydrophobicContact CG-CD2 3.36Å; E49-F52 HydrophobicContact CG-CE2 3.69Å; E49-F52 HydrophobicContact CG-CG 4.49Å; E49-F52 PolarHBondContact O-N 3.24Å; E49-L135 HydrophobicContact CB-CD1 3.61Å; E49-L135 HydrophobicContact CB-CD2 4.22Å; E49-L135 HydrophobicContact CG-CD1 3.94Å
50P96.4Very high93.5Very high87 Ų8751.5 Ų51.557%0.56530%0.299SS*.THydrogen-bonded Turntrans-62-8.5-173.5-26.135.3000115.1E46 I53E46-P50 WeakPolarHBondContact O-CA 3.3Å; E46-P50 VanDerWaalsContact O-N 3.16Å; P50-I53 VanDerWaalsContact O-CG1 3.26Å; P50-I53 WeakPolarHBondContact O-CG1 3.46Å
51R96Very high92.5Very high39 Ų3952 Ų5215%0.14731%0.311CS..THydrogen-bonded Turntrans-77.5-20.5175.5-64.2177.8-69.9168.72.1113.2E49 I53 L112 W113 E115E49-R51 HydrophobicContact CG-CB 4.46Å; E49-R51 PolarHBondContact O-N 3.46Å; E49-R51 IonicContact OE1-CZ 3.28Å; E49-R51 IonicContact OE1-NE 3.29Å; E49-R51 PolarHBondContact OE1-NE 3.31Å; E49-R51 IonicContact OE1-NH2 2.75Å; E49-R51 PolarHBondContact OE1-NH2 3.48Å; E49-R51 IonicContact OE2-CZ 3.07Å; E49-R51 IonicContact OE2-NE 3.94Å; E49-R51 IonicContact OE2-NH2 3.17Å; E49-R51 PolarHBondContact OE2-NH2 2.87Å; R51-I53 PolarHBondContact O-N 2.91Å; R51-L112 VanDerWaalsContact CD-O 3.27Å; R51-L112 WeakPolarHBondContact CD-O 3.27Å; R51-L112 HydrophobicContact CG-CD2 4.39Å; R51-L112 PolarHBondContact NH1-O 3.5Å; R51-W113 HydrophobicContact CB-CH2 3.62Å; R51-W113 HydrophobicContact CB-CZ2 4.31Å; R51-W113 HydrophobicContact CB-CZ3 3.88Å; R51-E115 IonicContact CZ-OE1 2.75Å; R51-E115 VanDerWaalsContact NH1-CD 3.29Å; R51-E115 IonicContact NH1-OE1 2.67Å; R51-E115 PolarHBondContact NH1-OE1 2.89Å; R51-E115 IonicContact NH1-OE2 3.14Å; R51-E115 PolarHBondContact NH1-OE2 3.1Å; R51-E115 IonicContact NH2-OE1 3.09Å; R51-E115 PolarHBondContact NH2-OE1 3.3Å
52F96.8Very high91.8Very high0 Ų061.4 Ų61.40%035%0.347CS..SBendtrans-95.166.2177.5-69.6-68.3000111.2V45 E49 L78 L80 W113 I128 R131 F132 L135 T172V45-F52 HydrophobicContact CG1-CB 3.83Å; V45-F52 HydrophobicContact CG1-CD2 4.32Å; V45-F52 HydrophobicContact CG1-CG 4.33Å; E49-F52 HydrophobicContact CB-CD2 3.93Å; E49-F52 HydrophobicContact CG-CD2 3.36Å; E49-F52 HydrophobicContact CG-CE2 3.69Å; E49-F52 HydrophobicContact CG-CG 4.49Å; E49-F52 PolarHBondContact O-N 3.24Å; F52-L78 HydrophobicContact CB-CD2 4.35Å; F52-L78 HydrophobicContact CD1-CD2 4.14Å; F52-L80 HydrophobicContact CD1-CD2 3.63Å; F52-L80 HydrophobicContact CE1-CD2 3.74Å; F52-W113 HydrophobicContact CD1-CH2 4.35Å; F52-W113 HydrophobicContact CE1-CH2 4.09Å; F52-W113 HydrophobicContact CE1-CZ3 4.15Å; F52-W113 HydrophobicContact CE2-CZ3 4.37Å; F52-W113 HydrophobicContact CZ-CH2 4.33Å; F52-W113 AromaticContact CZ-CZ3 3.94Å; F52-W113 HydrophobicContact CZ-CZ3 3.94Å; F52-I128 HydrophobicContact CE1-CG2 4.26Å; F52-I128 HydrophobicContact CZ-CG2 4.36Å; F52-R131 HydrophobicContact CE2-CG 4.48Å; F52-F132 HydrophobicContact CB-CE2 4.49Å; F52-F132 AromaticContact CD1-CD2 3.68Å; F52-F132 HydrophobicContact CD1-CD2 3.68Å; F52-F132 HydrophobicContact CD1-CE2 4.16Å; F52-F132 HydrophobicContact CD1-CG 4.45Å; F52-F132 HydrophobicContact CD2-CD2 4.23Å; F52-F132 HydrophobicContact CE1-CB 4.08Å; F52-F132 AromaticContact CE1-CD2 3.83Å; F52-F132 HydrophobicContact CE1-CD2 3.83Å; F52-F132 HydrophobicContact CE1-CG 4.19Å; F52-F132 HydrophobicContact CE2-CD2 4.38Å; F52-F132 AromaticContact CG-CD2 3.9Å; F52-F132 HydrophobicContact CG-CD2 3.9Å; F52-F132 HydrophobicContact CG-CE2 4.31Å; F52-F132 HydrophobicContact CZ-CB 3.97Å; F52-F132 HydrophobicContact CZ-CD2 4.19Å; F52-F132 HydrophobicContact CZ-CG 4.48Å; F52-L135 HydrophobicContact CD2-CD1 3.64Å; F52-L135 HydrophobicContact CE2-CD1 3.58Å; F52-T172 HydrophobicContact CD1-CG2 4.33Å; F52-T172 HydrophobicContact CE1-CG2 3.99Å
53I95.1Very high91.4Very high72 Ų7262.1 Ų62.137%0.36935%0.35SS..  trans-73.9128.9-177.9-54169000109.7P50 R51 T55 L78P50-I53 VanDerWaalsContact O-CG1 3.26Å; P50-I53 WeakPolarHBondContact O-CG1 3.46Å; R51-I53 PolarHBondContact O-N 2.91Å; I53-T55 PolarHBondContact O-N 3.46Å; I53-T55 VanDerWaalsContact O-N 3.16Å; I53-L78 WeakPolarHBondContact O-CD1 3.34Å
54S92.1Very high91Very high29 Ų2959.6 Ų59.620%0.20334%0.34CS..  trans-64.6115.9177.6-174.70000111.7L42 E46 L56L42-S54 WeakPolarHBondContact CD1-OG 3.48Å; E46-S54 PolarHBondContact OE2-N 3.49Å; S54-L56 VanDerWaalsContact C-N 3.32Å
55T91.5Very high90.7Very high46 Ų4657.2 Ų57.228%0.28233%0.331SS..  trans-91.24.317259.40000113.1I53 V57 Y79I53-T55 PolarHBondContact O-N 3.46Å; I53-T55 VanDerWaalsContact O-N 3.16Å; T55-V57 PolarHBondContact O-N 3.46Å; T55-Y79 WeakPolarHBondContact CG2-O 3.39Å; T55-Y79 PolarHBondContact OG1-N 3.49Å
56L91.2Very high90.6Very high5 Ų558 Ų583%0.02634%0.337CS..  trans-81.185.3-175.2-172.263.1000110.4C35 V38 Q39 S54 Y63 A66 I76C35-L56 HydrophobicContact CB-CD2 3.99Å; V38-L56 HydrophobicContact CB-CD2 4.11Å; V38-L56 HydrophobicContact CG1-CD2 3.87Å; Q39-L56 HydrophobicContact CG-CB 4.36Å; Q39-L56 HydrophobicContact CG-CD2 3.95Å; Q39-L56 HydrophobicContact CG-CG 4.22Å; Q39-L56 PolarHBondContact NE2-O 3.4Å; S54-L56 VanDerWaalsContact C-N 3.32Å; L56-Y63 HydrophobicContact CD1-CD1 3.78Å; L56-Y63 HydrophobicContact CD1-CG 4.05Å; L56-Y63 HydrophobicContact CG-CD1 3.9Å; L56-Y63 HydrophobicContact CG-CE1 4.48Å; L56-A66 HydrophobicContact CD1-CB 4.2Å; L56-I76 HydrophobicContact CD1-CG2 3.99Å; L56-I76 HydrophobicContact CD2-CD1 3.97Å; L56-I76 HydrophobicContact CD2-CG2 4.14Å
57V86.3Confident90.6Very high78 Ų7857 Ų5747%0.47333%0.331SS..  trans-110.6136.9-179.2-174.30000110.4T55T55-V57 PolarHBondContact O-N 3.46Å
58E86.4Confident90.5Very high86 Ų8655.4 Ų55.440%0.40231%0.313SS..EExtended strand (participates in β ladder)trans-84115.3173.8-170.7173.9-167.800110R62 Y63E58-R62 CarbonylContact C-O 3.58Å; E58-R62 WeakPolarHBondContact CA-O 3.39Å; E58-Y63 HydrophobicContact CB-CD1 4.11Å; E58-Y63 HydrophobicContact CB-CE1 3.61Å; E58-Y63 HydrophobicContact CG-CE1 4.31Å; E58-Y63 HydrophobicContact CG-CE2 4.37Å; E58-Y63 PolarHBondContact OE2-OH 3.26Å
59N82.7Confident90.5Very high103 Ų10356 Ų5655%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans-121.8115.4175.1-74.6-27.6000109.4G61 R62N59-G61 VanDerWaalsContact C-N 3.27Å; N59-G61 PolarHBondContact O-N 3.42Å; N59-R62 PolarHBondContact N-O 3.33Å; N59-R62 PolarHBondContact O-N 3.38Å; N59-R62 VanDerWaalsContact O-N 3.08Å
60G78.3Confident90.4Very high89 Ų8955.4 Ų55.492%0.91832%0.316SS*.THydrogen-bonded Turntrans59.334.1177.200000114.2R62G60-R62 VanDerWaalsContact C-N 3.3Å; G60-R62 PolarHBondContact O-N 3.08Å
61G75.9Confident90.3Very high43 Ų4353.7 Ų53.744%0.44331%0.305SS..THydrogen-bonded Turntrans76.612.8-178.500000114.8N59N59-G61 VanDerWaalsContact C-N 3.27Å; N59-G61 PolarHBondContact O-N 3.42Å
62R81.8Confident90.3Very high198 Ų19854.1 Ų54.175%0.74731%0.312SS*.EExtended strand (participates in β ladder)trans-122.3148.6172.1-63.9-173.2-179.6-177.83.9110E58 N59 G60E58-R62 CarbonylContact C-O 3.58Å; E58-R62 WeakPolarHBondContact CA-O 3.39Å; N59-R62 PolarHBondContact N-O 3.33Å; N59-R62 PolarHBondContact O-N 3.38Å; N59-R62 VanDerWaalsContact O-N 3.08Å; G60-R62 VanDerWaalsContact C-N 3.3Å; G60-R62 PolarHBondContact O-N 3.08Å
63Y89.4Confident90.3Very high16 Ų1658.5 Ų58.56%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-102123.1170.6-70-86.1000109R32 C35 L56 E58 A66R32-Y63 HydrophobicContact CB-CE2 4.45Å; R32-Y63 HydrophobicContact CG-CE2 3.91Å; C35-Y63 HydrophobicContact CB-CD1 4.01Å; C35-Y63 HydrophobicContact CB-CD2 3.96Å; C35-Y63 HydrophobicContact CB-CE1 3.66Å; C35-Y63 HydrophobicContact CB-CE2 3.6Å; C35-Y63 HydrophobicContact CB-CG 4.15Å; C35-Y63 VanDerWaalsContact CB-CZ 3.46Å; C35-Y63 VanDerWaalsContact SG-CD2 3.51Å; L56-Y63 HydrophobicContact CD1-CD1 3.78Å; L56-Y63 HydrophobicContact CD1-CG 4.05Å; L56-Y63 HydrophobicContact CG-CD1 3.9Å; L56-Y63 HydrophobicContact CG-CE1 4.48Å; E58-Y63 HydrophobicContact CB-CD1 4.11Å; E58-Y63 HydrophobicContact CB-CE1 3.61Å; E58-Y63 HydrophobicContact CG-CE1 4.31Å; E58-Y63 HydrophobicContact CG-CE2 4.37Å; E58-Y63 PolarHBondContact OE2-OH 3.26Å; Y63-A66 PolarHBondContact O-N 2.92Å
64E87.9Confident90.4Very high89 Ų8955.1 Ų55.142%0.41632%0.315SS..THydrogen-bonded Turntrans-65.5136.4171.4-166.9-178.5158.800109.4A66 R175E64-A66 VanDerWaalsContact C-N 3.26Å; E64-A66 PolarHBondContact O-N 2.96Å; E64-R175 IonicContact OE1-CZ 2.82Å; E64-R175 IonicContact OE1-NH1 2.67Å; E64-R175 PolarHBondContact OE1-NH1 3.28Å; E64-R175 IonicContact OE1-NH2 2.73Å; E64-R175 PolarHBondContact OE1-NH2 3.41Å
65G91.9Very high90.6Very high5 Ų554.2 Ų54.25%0.05231%0.308CS..THydrogen-bonded Turntrans75.83.8-177.700000115.3Y67 I76 I77G65-Y67 WeakPolarHBondContact O-CD2 3.44Å; G65-I76 CarbonylContact O-C 3.54Å; G65-I76 WeakPolarHBondContact O-CA 3.39Å; G65-I77 PolarHBondContact O-N 2.8Å
66A96.1Very high90.9Very high17 Ų1752.1 Ų52.114%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-103.2123.6176.400000112.1L31 L56 Y63 E64 E75 I76L31-A66 HydrophobicContact CD1-CB 4.16Å; L31-A66 HydrophobicContact CD2-CB 4.25Å; L56-A66 HydrophobicContact CD1-CB 4.2Å; Y63-A66 PolarHBondContact O-N 2.92Å; E64-A66 VanDerWaalsContact C-N 3.26Å; E64-A66 PolarHBondContact O-N 2.96Å; A66-E75 CarbonylContact C-O 3.55Å; A66-E75 WeakPolarHBondContact CA-O 3.25Å; A66-I76 HydrophobicContact CB-CG1 4.2Å
67Y95.8Very high91.3Very high44 Ų4451.9 Ų51.917%0.17329%0.294CS..EExtended strand (participates in β ladder)trans-120.9136.3-173.6-61.7-83.2000111.8G65 F74 E75 I77 N235G65-Y67 WeakPolarHBondContact O-CD2 3.44Å; Y67-F74 WeakPolarHBondContact O-CA 3.38Å; Y67-E75 PolarHBondContact N-O 2.88Å; Y67-E75 PolarHBondContact O-N 3.32Å; Y67-I77 HydrophobicContact CD2-CG1 4.06Å; Y67-I77 HydrophobicContact CE2-CG1 3.69Å; Y67-N235 HydrophobicContact CE1-CB 3.85Å
68V96.2Very high91.8Very high41 Ų4148.2 Ų48.225%0.24827%0.271CS..EExtended strand (participates in β ladder)trans-91.3108.7173.3-177.10000109.1L31 S70 F74L31-V68 HydrophobicContact CD2-CG2 4.15Å; V68-S70 VanDerWaalsContact CG1-O 3.27Å; V68-S70 WeakPolarHBondContact CG1-O 3.4Å; V68-F74 HydrophobicContact CB-CD1 4.46Å; V68-F74 HydrophobicContact CG1-CD1 4.46Å; V68-F74 HydrophobicContact CG1-CE1 4.15Å; V68-F74 HydrophobicContact CG2-CD1 4.12Å; V68-F74 HydrophobicContact CG2-CE1 4.05Å
69L95.7Very high92.3Very high66 Ų6645.3 Ų45.335%0.34626%0.257SS..SBendtrans-85.3-42177.4-54.8-175.9000111E73 E75 R258L69-E73 HydrophobicContact CB-CB 4.12Å; L69-E73 WeakPolarHBondContact CB-O 3.37Å; L69-E73 PolarHBondContact N-O 2.76Å; L69-E75 HydrophobicContact CD1-CB 4.05Å; L69-E75 HydrophobicContact CD2-CB 4.37Å; L69-E75 HydrophobicContact CG-CB 4.24Å; L69-R258 PolarHBondContact O-NH1 3.02Å; L69-R258 PolarHBondContact O-NH2 3.14Å
70S94.4Very high93Very high11 Ų1141.1 Ų41.18%0.07723%0.234CC..SBendtrans-147.8177.1172.987.30000109.6V68 T72 E73V68-S70 VanDerWaalsContact CG1-O 3.27Å; V68-S70 WeakPolarHBondContact CG1-O 3.4Å; S70-T72 PolarHBondContact O-N 2.99Å; S70-T72 VanDerWaalsContact O-N 3.14Å; S70-T72 PolarHBondContact OG-N 2.98Å; S70-T72 VanDerWaalsContact OG-N 3.14Å; S70-T72 PolarHBondContact OG-OG1 2.76Å; S70-E73 PolarHBondContact N-O 3.28Å; S70-E73 PolarHBondContact O-N 3.33Å; S70-E73 WeakPolarHBondContact OG-CB 3.46Å; S70-E73 WeakPolarHBondContact OG-CG 3.42Å; S70-E73 PolarHBondContact OG-N 2.99Å
71P94.8Very high93.6Very high50 Ų5040 Ų4033%0.32521%0.207SC..SBendtrans-60.4-18.9174.4-2436.5000114D259P71-D259 VanDerWaalsContact CD-OD2 3.31Å; P71-D259 WeakPolarHBondContact CD-OD2 3.3Å; P71-D259 HydrophobicContact CG-CB 4.13Å; P71-D259 WeakPolarHBondContact CG-OD2 3.34Å
72T95.3Very high94Very high49 Ų4946.5 Ų46.530%0.30123%0.226SC..SBendtrans-120.9-6.3-17952.80000114.3S70 R165 Y166 V167S70-T72 PolarHBondContact O-N 2.99Å; S70-T72 VanDerWaalsContact O-N 3.14Å; S70-T72 PolarHBondContact OG-N 2.98Å; S70-T72 VanDerWaalsContact OG-N 3.14Å; S70-T72 PolarHBondContact OG-OG1 2.76Å; T72-R165 HydrophobicContact CG2-CG 4.4Å; T72-Y166 HydrophobicContact CG2-CD1 4.25Å; T72-Y166 HydrophobicContact CG2-CE1 4.31Å; T72-Y166 CarbonylContact O-C 3.57Å; T72-Y166 VanDerWaalsContact O-CA 3.31Å; T72-Y166 WeakPolarHBondContact O-CA 3.27Å; T72-V167 PolarHBondContact O-N 2.75Å
73E96.5Very high94.2Very high91 Ų9138.6 Ų38.643%0.42520%0.198SC..EExtended strand (participates in β ladder)trans-121.2130.7-177.5-62.2-178.7177.200111.5L69 S70 V167L69-E73 HydrophobicContact CB-CB 4.12Å; L69-E73 WeakPolarHBondContact CB-O 3.37Å; L69-E73 PolarHBondContact N-O 2.76Å; S70-E73 PolarHBondContact N-O 3.28Å; S70-E73 PolarHBondContact O-N 3.33Å; S70-E73 WeakPolarHBondContact OG-CB 3.46Å; S70-E73 WeakPolarHBondContact OG-CG 3.42Å; S70-E73 PolarHBondContact OG-N 2.99Å; E73-V167 WeakPolarHBondContact CA-O 3.42Å; E73-V167 HydrophobicContact CG-CB 4.43Å
74F97.8Very high94.1Very high2 Ų241.1 Ų41.11%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-132.2152.1-176.6-53.1-84.2000110.7T30 L31 V34 Y67 V68 Y166 V167 V168 Q169T30-F74 HydrophobicContact CG2-CE2 3.76Å; T30-F74 HydrophobicContact CG2-CZ 3.54Å; L31-F74 HydrophobicContact CB-CD1 4.41Å; L31-F74 HydrophobicContact CB-CE1 4.11Å; L31-F74 HydrophobicContact CD1-CB 4.42Å; L31-F74 HydrophobicContact CD1-CD1 3.61Å; L31-F74 HydrophobicContact CD1-CE1 4.17Å; L31-F74 HydrophobicContact CD1-CG 4.18Å; V34-F74 HydrophobicContact CG2-CD2 4.19Å; V34-F74 HydrophobicContact CG2-CE2 4.17Å; Y67-F74 WeakPolarHBondContact O-CA 3.38Å; V68-F74 HydrophobicContact CB-CD1 4.46Å; V68-F74 HydrophobicContact CG1-CD1 4.46Å; V68-F74 HydrophobicContact CG1-CE1 4.15Å; V68-F74 HydrophobicContact CG2-CD1 4.12Å; V68-F74 HydrophobicContact CG2-CE1 4.05Å; F74-Y166 HydrophobicContact CE2-CD1 4.2Å; F74-V167 PolarHBondContact N-O 2.85Å; F74-V168 HydrophobicContact CB-CG1 4.37Å; F74-V168 HydrophobicContact CB-CG2 4.45Å; F74-V168 HydrophobicContact CD2-CG2 4.3Å; F74-V168 WeakPolarHBondContact O-CA 3.34Å; F74-Q169 PolarHBondContact O-N 3.24Å
75E97.7Very high94.3Very high10 Ų1038.1 Ų38.15%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-124.8133.7169.2172.1164.9-151.600109.6A66 Y67 L69 I77 Q169 T171 K213A66-E75 CarbonylContact C-O 3.55Å; A66-E75 WeakPolarHBondContact CA-O 3.25Å; Y67-E75 PolarHBondContact N-O 2.88Å; Y67-E75 PolarHBondContact O-N 3.32Å; L69-E75 HydrophobicContact CD1-CB 4.05Å; L69-E75 HydrophobicContact CD2-CB 4.37Å; L69-E75 HydrophobicContact CG-CB 4.24Å; E75-I77 HydrophobicContact CG-CD1 3.7Å; E75-I77 WeakPolarHBondContact OE1-CD1 3.45Å; E75-Q169 CarbonylContact C-O 3.19Å; E75-Q169 WeakPolarHBondContact CA-O 3.33Å; E75-T171 WeakPolarHBondContact OE1-CB 3.37Å; E75-T171 PolarHBondContact OE1-OG1 3.11Å; E75-K213 WeakPolarHBondContact OE1-CE 3.38Å; E75-K213 IonicContact OE1-NZ 3.08Å; E75-K213 PolarHBondContact OE1-NZ 3.35Å; E75-K213 IonicContact OE2-NZ 3.77Å; E75-K213 PolarHBondContact OE2-NZ 3.38Å
76I97.9Very high94.5Very high1 Ų138.5 Ų38.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-119.7124.4175.2-68.9168.1000107.9V34 V38 L56 G65 A66 V168 Q169 I170 T171V34-I76 HydrophobicContact CG1-CD1 4.36Å; V38-I76 HydrophobicContact CB-CD1 3.93Å; V38-I76 HydrophobicContact CG1-CD1 3.79Å; V38-I76 HydrophobicContact CG1-CG2 4.48Å; V38-I76 HydrophobicContact CG2-CD1 3.77Å; L56-I76 HydrophobicContact CD1-CG2 3.99Å; L56-I76 HydrophobicContact CD2-CD1 3.97Å; L56-I76 HydrophobicContact CD2-CG2 4.14Å; G65-I76 CarbonylContact O-C 3.54Å; G65-I76 WeakPolarHBondContact O-CA 3.39Å; A66-I76 HydrophobicContact CB-CG1 4.2Å; I76-V168 HydrophobicContact CD1-CG1 3.79Å; I76-V168 HydrophobicContact CG1-CG1 4.3Å; I76-Q169 PolarHBondContact N-O 2.64Å; I76-I170 CarbonylContact O-C 3.58Å; I76-I170 WeakPolarHBondContact O-CA 3.48Å; I76-T171 PolarHBondContact O-N 3.07Å
77I97.6Very high94.4Very high1 Ų141.9 Ų41.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-91.5118.8176.8-51.4-53.4000108.7G65 Y67 E75 Y79 T171 A173 H211G65-I77 PolarHBondContact O-N 2.8Å; Y67-I77 HydrophobicContact CD2-CG1 4.06Å; Y67-I77 HydrophobicContact CE2-CG1 3.69Å; E75-I77 HydrophobicContact CG-CD1 3.7Å; E75-I77 WeakPolarHBondContact OE1-CD1 3.45Å; I77-Y79 HydrophobicContact CB-CE2 4.22Å; I77-Y79 HydrophobicContact CG2-CD1 4Å; I77-Y79 HydrophobicContact CG2-CD2 4.31Å; I77-Y79 HydrophobicContact CG2-CE1 3.65Å; I77-Y79 HydrophobicContact CG2-CE2 3.98Å; I77-Y79 HydrophobicContact CG2-CG 4.32Å; I77-T171 WeakPolarHBondContact CA-O 3.29Å; I77-T171 HydrophobicContact CD1-CG2 4.34Å; I77-A173 HydrophobicContact CG2-CB 3.51Å; I77-H211 VanDerWaalsContact CD1-CE1 3.41Å; I77-H211 WeakPolarHBondContact CD1-CE1 3.46Å
78L97.6Very high94.4Very high1 Ų142 Ų421%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-93.6103.5170.9-177.964.3000108.1L42 F52 I53 L80 F132 I170 T171 T172 A173L42-L78 HydrophobicContact CD1-CD1 4.19Å; L42-L78 HydrophobicContact CD2-CD1 4.47Å; L42-L78 HydrophobicContact CD2-CD2 3.97Å; F52-L78 HydrophobicContact CB-CD2 4.35Å; F52-L78 HydrophobicContact CD1-CD2 4.14Å; I53-L78 WeakPolarHBondContact O-CD1 3.34Å; L78-L80 PolarHBondContact O-N 3.27Å; L78-F132 HydrophobicContact CD2-CD2 4.37Å; L78-F132 HydrophobicContact CD2-CE1 4.47Å; L78-F132 HydrophobicContact CD2-CE2 3.5Å; L78-F132 HydrophobicContact CD2-CZ 3.58Å; L78-I170 HydrophobicContact CB-CG2 4.22Å; L78-T171 PolarHBondContact N-O 2.92Å; L78-T172 HydrophobicContact CD2-CG2 4.26Å; L78-T172 CarbonylContact O-C 3.56Å; L78-T172 WeakPolarHBondContact O-CA 3.39Å; L78-A173 PolarHBondContact O-N 3.16Å
79Y97Very high94.3Very high25 Ų2542.3 Ų42.310%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-76.3121178.3-64.1-77000110T55 I77 A173 R175 D209T55-Y79 WeakPolarHBondContact CG2-O 3.39Å; T55-Y79 PolarHBondContact OG1-N 3.49Å; I77-Y79 HydrophobicContact CB-CE2 4.22Å; I77-Y79 HydrophobicContact CG2-CD1 4Å; I77-Y79 HydrophobicContact CG2-CD2 4.31Å; I77-Y79 HydrophobicContact CG2-CE1 3.65Å; I77-Y79 HydrophobicContact CG2-CE2 3.98Å; I77-Y79 HydrophobicContact CG2-CG 4.32Å; Y79-A173 WeakPolarHBondContact CA-O 3.36Å; Y79-A173 HydrophobicContact CD1-CB 4.32Å; Y79-A173 HydrophobicContact CE1-CB 4.49Å; Y79-R175 HydrophobicContact CD1-CB 4.11Å; Y79-R175 HydrophobicContact CE1-CB 4.26Å; Y79-R175 VanDerWaalsContact CE2-NH2 3.28Å; Y79-R175 PolarHBondContact OH-NH2 3.03Å; Y79-R175 VanDerWaalsContact OH-NH2 3.15Å; Y79-D209 WeakPolarHBondContact CE1-OD1 3.47Å; Y79-D209 PolarHBondContact OH-OD2 2.94Å
80L96.5Very high94.3Very high15 Ų1539.8 Ų39.88%0.07922%0.223CC..PPolyproline II helixtrans-75.2161.3172.9-56.7-177.7000109.9F52 L78 W113 I128 T172 A173 F174 W230F52-L80 HydrophobicContact CD1-CD2 3.63Å; F52-L80 HydrophobicContact CE1-CD2 3.74Å; L78-L80 PolarHBondContact O-N 3.27Å; L80-W113 HydrophobicContact CB-CZ2 3.94Å; L80-W113 HydrophobicContact CD1-CH2 4.33Å; L80-W113 HydrophobicContact CD1-CZ2 4.06Å; L80-W113 HydrophobicContact CD2-CH2 3.95Å; L80-W113 HydrophobicContact CD2-CZ2 4.09Å; L80-W113 HydrophobicContact CG-CZ2 4.24Å; L80-I128 HydrophobicContact CD1-CD1 4.38Å; L80-I128 HydrophobicContact CD1-CG2 4.13Å; L80-T172 HydrophobicContact CD2-CG2 4.16Å; L80-A173 PolarHBondContact N-O 3.42Å; L80-F174 HydrophobicContact CB-CD1 3.92Å; L80-F174 HydrophobicContact CB-CE1 3.6Å; L80-F174 HydrophobicContact CB-CZ 4.13Å; L80-F174 HydrophobicContact CD1-CE1 4.13Å; L80-F174 HydrophobicContact CD1-CE2 4.08Å; L80-F174 HydrophobicContact CD1-CZ 3.77Å; L80-F174 HydrophobicContact CG-CE1 4.49Å; L80-W230 HydrophobicContact CD1-CH2 4.44Å
81N91.7Very high94Very high65 Ų6544 Ų4435%0.34824%0.244SC..SBendtrans-51.7157.8171.2-75.3-36.9000111.9L112 F174N81-L112 HydrophobicContact CB-CD1 4.27Å; N81-F174 VanDerWaalsContact O-CD1 3.22Å; N81-F174 WeakPolarHBondContact O-CD1 3.44Å; N81-F174 WeakPolarHBondContact O-CE1 3.33Å
82Q85.3Confident93.4Very high180 Ų18043.7 Ų43.784%0.84125%0.25SS*.PPolyproline II helixtrans-49.2144.6-177-64.4-176.8-0.300112.8G84Q82-G84 PolarHBondContact O-N 3.34Å
83M84.5Confident92.9Very high32 Ų3245.3 Ų45.316%0.15826%0.263CS..  trans-56.3-24.8-178.4-63.6178.6-78.200113.1V85 F86 L100 F174 C176 L210M83-V85 PolarHBondContact O-N 3.21Å; M83-F86 WeakPolarHBondContact O-CD2 3.33Å; M83-L100 HydrophobicContact CG-CD1 4.29Å; M83-L100 HydrophobicContact SD-CD1 4.08Å; M83-L100 HydrophobicContact SD-CD2 3.49Å; M83-L100 WeakPolarHBondContact SD-CD2 3.36Å; M83-L100 HydrophobicContact SD-CG 4.45Å; M83-F174 HydrophobicContact CG-CB 3.65Å; M83-F174 HydrophobicContact CG-CD1 3.64Å; M83-F174 HydrophobicContact CG-CD2 4.19Å; M83-F174 HydrophobicContact CG-CE1 4.3Å; M83-F174 HydrophobicContact CG-CG 3.58Å; M83-F174 HydrophobicContact SD-CB 4.04Å; M83-F174 HydrophobicContact SD-CG 4.44Å; M83-C176 HydrophobicContact CE-CB 4.35Å; M83-C176 WeakPolarHBondContact CE-SG 3.5Å; M83-L210 HydrophobicContact SD-CD1 4.16Å
84G88.8Confident92.5Very high68 Ų6842.1 Ų42.170%0.70125%0.25SC*.THydrogen-bonded Turntrans64.8-107.3172.300000112.7Q82 F86Q82-G84 PolarHBondContact O-N 3.34Å; G84-F86 PolarHBondContact O-N 2.86Å
85V91.7Very high92Very high26 Ų2644.8 Ų44.816%0.15827%0.267CS..THydrogen-bonded Turntrans-882.9-170-620000114.8M83 L102 S103 K107M83-V85 PolarHBondContact O-N 3.21Å; V85-L102 HydrophobicContact CG2-CD2 3.74Å; V85-S103 WeakPolarHBondContact O-CB 3.35Å; V85-S103 PolarHBondContact O-N 3.21Å; V85-S103 PolarHBondContact O-OG 3.04Å; V85-K107 HydrophobicContact CB-CB 4.08Å; V85-K107 HydrophobicContact CB-CD 4.18Å; V85-K107 HydrophobicContact CG1-CB 4.07Å; V85-K107 HydrophobicContact CG1-CD 3.98Å; V85-K107 HydrophobicContact CG2-CB 4.41Å
86F95.7Very high91.8Very high14 Ų1444.5 Ų44.56%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-92.1138.6179.3-60.6-75.2000112.1M83 G84 L100 K101 L102 S111 I117 L123M83-F86 WeakPolarHBondContact O-CD2 3.33Å; G84-F86 PolarHBondContact O-N 2.86Å; F86-L100 HydrophobicContact CB-CB 4.07Å; F86-L100 HydrophobicContact CB-CD2 4.41Å; F86-L100 HydrophobicContact CG-CB 4.3Å; F86-K101 CarbonylContact C-O 3.51Å; F86-K101 WeakPolarHBondContact CA-O 3.38Å; F86-L102 HydrophobicContact CD1-CD2 3.96Å; F86-L102 HydrophobicContact CD1-CG 4.17Å; F86-L102 HydrophobicContact CE1-CD2 3.54Å; F86-L102 HydrophobicContact CE1-CG 3.76Å; F86-L102 HydrophobicContact CZ-CD2 4.09Å; F86-S111 VanDerWaalsContact CE2-OG 3.3Å; F86-S111 WeakPolarHBondContact CE2-OG 3.41Å; F86-S111 WeakPolarHBondContact CZ-OG 3.4Å; F86-I117 HydrophobicContact CE1-CD1 3.99Å; F86-I117 HydrophobicContact CE1-CG1 4.12Å; F86-I117 HydrophobicContact CZ-CD1 3.63Å; F86-I117 HydrophobicContact CZ-CG1 3.79Å; F86-L123 HydrophobicContact CD1-CB 4.09Å; F86-L123 HydrophobicContact CD2-CB 4.46Å; F86-L123 HydrophobicContact CD2-CD2 4.03Å; F86-L123 HydrophobicContact CE1-CB 3.71Å; F86-L123 HydrophobicContact CE2-CB 4.15Å; F86-L123 HydrophobicContact CE2-CD1 4.2Å; F86-L123 HydrophobicContact CE2-CD2 3.74Å; F86-L123 HydrophobicContact CE2-CG 4.25Å; F86-L123 HydrophobicContact CG-CB 4.48Å; F86-L123 HydrophobicContact CZ-CB 3.77Å; F86-L123 HydrophobicContact CZ-CD1 3.9Å; F86-L123 HydrophobicContact CZ-CD2 4.15Å; F86-L123 HydrophobicContact CZ-CG 4.15Å
87N94.8Very high91.7Very high88 Ų8844.8 Ų44.847%0.47127%0.269SS..EExtended strand (participates in β ladder)trans-87.1134.7164.5-67.8-22.9000109.2L100 K101N87-L100 WeakPolarHBondContact O-CA 3.43Å; N87-K101 PolarHBondContact N-O 3.34Å; N87-K101 PolarHBondContact O-N 2.87Å
88F94.8Very high91.6Very high45 Ų4545 Ų4520%0.19727%0.271CS..EExtended strand (participates in β ladder)trans-69.8126.8163.7166.3-102.8000109.8D90 A98 L100 I179 P181 F208 L210 M232F88-D90 HydrophobicContact CE1-CB 3.77Å; F88-D90 HydrophobicContact CE2-CB 4.1Å; F88-D90 HydrophobicContact CZ-CB 3.33Å; F88-A98 HydrophobicContact CD2-CB 3.99Å; F88-A98 HydrophobicContact CE2-CB 3.28Å; F88-A98 HydrophobicContact CZ-CB 4.06Å; F88-L100 HydrophobicContact CB-CD2 4.46Å; F88-I179 HydrophobicContact CD1-CG2 4.28Å; F88-P181 HydrophobicContact CE1-CB 4.32Å; F88-P181 HydrophobicContact CZ-CB 3.79Å; F88-F208 HydrophobicContact CD1-CZ 4.5Å; F88-F208 HydrophobicContact CD2-CE2 4.37Å; F88-F208 AromaticContact CD2-CZ 3.93Å; F88-F208 HydrophobicContact CD2-CZ 3.93Å; F88-F208 HydrophobicContact CE1-CZ 4.08Å; F88-F208 AromaticContact CE2-CE2 3.73Å; F88-F208 HydrophobicContact CE2-CE2 3.73Å; F88-F208 AromaticContact CE2-CZ 3.42Å; F88-F208 HydrophobicContact CE2-CZ 3.42Å; F88-F208 VanDerWaalsContact CE2-CZ 3.42Å; F88-F208 HydrophobicContact CG-CZ 4.43Å; F88-F208 HydrophobicContact CZ-CE1 4.43Å; F88-F208 HydrophobicContact CZ-CE2 4.14Å; F88-F208 AromaticContact CZ-CZ 3.52Å; F88-F208 HydrophobicContact CZ-CZ 3.52Å; F88-L210 HydrophobicContact CD2-CD1 4.12Å; F88-L210 HydrophobicContact CE2-CD2 4.31Å; F88-M232 HydrophobicContact CZ-SD 4.47Å
89V94.9Very high91.4Very high48 Ų4846 Ų4629%0.29128%0.277SS..EExtended strand (participates in β ladder)trans-128.6116.4177.8-176.40000109.2V99 K101V89-V99 HydrophobicContact CB-CG2 3.84Å; V89-V99 HydrophobicContact CG1-CG2 4.29Å; V89-V99 PolarHBondContact N-O 3.22Å; V89-V99 PolarHBondContact O-N 3.35Å; V89-K101 HydrophobicContact CG2-CB 4.2Å
90D94.7Very high91.4Very high14 Ų1444.8 Ų44.88%0.07527%0.272CS..  trans-122.9101.4173167.723.5000108.7F88 G92 A98 P181 R182 S183F88-D90 HydrophobicContact CE1-CB 3.77Å; F88-D90 HydrophobicContact CE2-CB 4.1Å; F88-D90 HydrophobicContact CZ-CB 3.33Å; D90-G92 PolarHBondContact OD1-N 3.34Å; D90-A98 HydrophobicContact CB-CB 4.22Å; D90-P181 WeakPolarHBondContact OD2-CB 3.49Å; D90-R182 WeakPolarHBondContact OD2-CA 3.34Å; D90-R182 PolarHBondContact OD2-N 3.12Å; D90-S183 WeakPolarHBondContact OD2-CB 3.41Å; D90-S183 PolarHBondContact OD2-N 2.6Å; D90-S183 PolarHBondContact OD2-OG 3.49Å
91D88.1Confident91.3Very high100 Ų10048.2 Ų48.254%0.53529%0.287SS..  trans-105.12.1178.362.114.9000112.5S93D91-S93 PolarHBondContact O-N 3.12Å; D91-S93 WeakPolarHBondContact OD1-CB 3.4Å; D91-S93 PolarHBondContact OD1-N 2.87Å; D91-S93 PolarHBondContact OD1-OG 3.45Å; D91-S93 PolarHBondContact OD2-OG 2.93Å
92G83Confident91.5Very high43 Ų4345.9 Ų45.944%0.44327%0.274SS..SBendtrans71.67.8-178.100000115.4D90 V94D90-G92 PolarHBondContact OD1-N 3.34Å; G92-V94 VanDerWaalsContact C-N 3.27Å; G92-V94 PolarHBondContact O-N 3.19Å
93S84.6Confident91.9Very high83 Ų8339.6 Ų39.658%0.5825%0.25SC*.SBendtrans-61.7-35.4-178.7-590000112.7D91D91-S93 PolarHBondContact O-N 3.12Å; D91-S93 WeakPolarHBondContact OD1-CB 3.4Å; D91-S93 PolarHBondContact OD1-N 2.87Å; D91-S93 PolarHBondContact OD1-OG 3.45Å; D91-S93 PolarHBondContact OD2-OG 2.93Å
94V86.9Confident92.4Very high23 Ų2340.3 Ų40.314%0.13926%0.255CS..SBendtrans-120.7108.3176.3-175.10000108G92 G96 C97 I215 L218 E226G92-V94 VanDerWaalsContact C-N 3.27Å; G92-V94 PolarHBondContact O-N 3.19Å; V94-G96 PolarHBondContact O-N 3.5Å; V94-C97 HydrophobicContact CB-CB 3.95Å; V94-C97 HydrophobicContact CG1-CB 3.74Å; V94-C97 PolarHBondContact O-N 3.28Å; V94-I215 HydrophobicContact CG1-CD1 4.06Å; V94-L218 HydrophobicContact CG1-CD1 4.31Å; V94-E226 HydrophobicContact CG2-CG 3.85Å
95P89.1Confident92.5Very high58 Ų5839.6 Ų39.638%0.37725%0.247SC..THydrogen-bonded Turntrans-54.4131.1-177.5-27.534.8000112.4C97P95-C97 PolarHBondContact O-N 3.04Å
96G93.2Very high92.5Very high4 Ų448.1 Ų48.14%0.04128%0.277CS..THydrogen-bonded Turntrans75.34.2-179.100000115.1V94 M232V94-G96 PolarHBondContact O-N 3.5Å; G96-M232 PolarHBondContact O-N 2.87Å
97C94.8Very high92.4Very high7 Ų751.4 Ų51.45%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-128.7157.3-177.2-53.20000111.9V94 P95 I215 A229 W230 M232V94-C97 HydrophobicContact CB-CB 3.95Å; V94-C97 HydrophobicContact CG1-CB 3.74Å; V94-C97 PolarHBondContact O-N 3.28Å; P95-C97 PolarHBondContact O-N 3.04Å; C97-I215 HydrophobicContact CB-CD1 4.26Å; C97-I215 WeakPolarHBondContact SG-CD1 3.35Å; C97-A229 HydrophobicContact CB-CB 3.98Å; C97-W230 CarbonylContact C-O 3.56Å; C97-W230 WeakPolarHBondContact CA-O 3.32Å; C97-W230 WeakPolarHBondContact CB-O 3.37Å; C97-M232 WeakPolarHBondContact O-CE 3.37Å
98A94.9Very high92.4Very high5 Ų551 Ų514%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-137.8169.917600000110.4F88 D90 L210 A229 W230 M232F88-A98 HydrophobicContact CD2-CB 3.99Å; F88-A98 HydrophobicContact CE2-CB 3.28Å; F88-A98 HydrophobicContact CZ-CB 4.06Å; D90-A98 HydrophobicContact CB-CB 4.22Å; A98-L210 HydrophobicContact CB-CD2 4.1Å; A98-A229 WeakPolarHBondContact O-CA 3.39Å; A98-W230 PolarHBondContact N-O 3.49Å; A98-W230 PolarHBondContact O-N 3.18Å; A98-M232 HydrophobicContact CB-CE 4.45Å; A98-M232 HydrophobicContact CB-CG 4.4Å; A98-M232 HydrophobicContact CB-SD 4.39Å
99V95Very high92.4Very high22 Ų2253.6 Ų53.613%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-122.6150177.7-60.20000111.1V89 Y122 A229V89-V99 HydrophobicContact CB-CG2 3.84Å; V89-V99 HydrophobicContact CG1-CG2 4.29Å; V89-V99 PolarHBondContact N-O 3.22Å; V89-V99 PolarHBondContact O-N 3.35Å; V99-Y122 HydrophobicContact CB-CD1 3.91Å; V99-Y122 HydrophobicContact CB-CE1 4.18Å; V99-Y122 HydrophobicContact CG2-CD1 3.85Å; V99-Y122 HydrophobicContact CG2-CE1 3.62Å; V99-A229 HydrophobicContact CG1-CB 4.15Å
100L95.6Very high92.3Very high1 Ų157.9 Ų57.91%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-105.2114.3174.1-69.6177.5000108.7M83 F86 N87 F88 Y122 L123 F174 L210 W230M83-L100 HydrophobicContact CG-CD1 4.29Å; M83-L100 HydrophobicContact SD-CD1 4.08Å; M83-L100 HydrophobicContact SD-CD2 3.49Å; M83-L100 WeakPolarHBondContact SD-CD2 3.36Å; M83-L100 HydrophobicContact SD-CG 4.45Å; F86-L100 HydrophobicContact CB-CB 4.07Å; F86-L100 HydrophobicContact CB-CD2 4.41Å; F86-L100 HydrophobicContact CG-CB 4.3Å; N87-L100 WeakPolarHBondContact O-CA 3.43Å; F88-L100 HydrophobicContact CB-CD2 4.46Å; L100-Y122 CarbonylContact O-C 3.56Å; L100-Y122 VanDerWaalsContact O-CA 3.27Å; L100-Y122 WeakPolarHBondContact O-CA 3.33Å; L100-L123 HydrophobicContact CB-CB 4.02Å; L100-L123 HydrophobicContact CD1-CD2 4.09Å; L100-L123 PolarHBondContact O-N 2.79Å; L100-F174 HydrophobicContact CD1-CD2 3.63Å; L100-F174 HydrophobicContact CD1-CE2 3.82Å; L100-F174 HydrophobicContact CD1-CG 4.48Å; L100-L210 HydrophobicContact CD1-CD1 4.14Å; L100-L210 HydrophobicContact CD2-CD1 3.72Å; L100-L210 HydrophobicContact CG-CD1 3.99Å; L100-W230 HydrophobicContact CD1-CD2 4.34Å; L100-W230 HydrophobicContact CD1-CZ2 4.39Å
101K95Very high92.3Very high87 Ų8757.8 Ų57.838%0.37833%0.326SS..EExtended strand (participates in β ladder)trans-115.3138.1-176.5-170.5175.8-176.5170.70110.8F86 N87 V89 S103 Y122F86-K101 CarbonylContact C-O 3.51Å; F86-K101 WeakPolarHBondContact CA-O 3.38Å; N87-K101 PolarHBondContact N-O 3.34Å; N87-K101 PolarHBondContact O-N 2.87Å; V89-K101 HydrophobicContact CG2-CB 4.2Å; K101-S103 PolarHBondContact O-N 3.06Å; K101-Y122 HydrophobicContact CB-CD1 3.88Å; K101-Y122 HydrophobicContact CB-CE1 3.84Å; K101-Y122 HydrophobicContact CD-CD1 4.48Å; K101-Y122 HydrophobicContact CD-CE1 3.77Å; K101-Y122 HydrophobicContact CG-CD1 4.11Å; K101-Y122 HydrophobicContact CG-CE1 3.9Å
102L95.8Very high92.6Very high15 Ų1557.4 Ų57.48%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-53.1130.5174.2-78.3173.9000110.7V85 F86 D104 R108 I117 G121V85-L102 HydrophobicContact CG2-CD2 3.74Å; F86-L102 HydrophobicContact CD1-CD2 3.96Å; F86-L102 HydrophobicContact CD1-CG 4.17Å; F86-L102 HydrophobicContact CE1-CD2 3.54Å; F86-L102 HydrophobicContact CE1-CG 3.76Å; F86-L102 HydrophobicContact CZ-CD2 4.09Å; L102-D104 VanDerWaalsContact C-N 3.28Å; L102-D104 PolarHBondContact O-N 2.73Å; L102-R108 HydrophobicContact CD1-CB 3.78Å; L102-R108 HydrophobicContact CD1-CG 4.21Å; L102-I117 HydrophobicContact CD1-CD1 4.22Å; L102-I117 HydrophobicContact CD1-CG2 3.91Å; L102-I117 HydrophobicContact CD2-CD1 4.14Å; L102-I117 HydrophobicContact CG-CD1 4.38Å; L102-I117 HydrophobicContact CG-CG2 4.32Å; L102-G121 PolarHBondContact N-O 3.14Å
103S94.6Very high93.2Very high48 Ų4855.5 Ų55.534%0.33630%0.303SS..SBendtrans-64.4-35.117452.80000112.4V85 K101V85-S103 WeakPolarHBondContact O-CB 3.35Å; V85-S103 PolarHBondContact O-N 3.21Å; V85-S103 PolarHBondContact O-OG 3.04Å; K101-S103 PolarHBondContact O-N 3.06Å
104D94Very high93.7Very high48 Ų4854.6 Ų54.626%0.25729%0.293SS..  trans-147.2131.9175-175.7-24.8000108.4L102 R106 K107L102-D104 VanDerWaalsContact C-N 3.28Å; L102-D104 PolarHBondContact O-N 2.73Å; D104-R106 PolarHBondContact O-N 2.85Å; D104-R106 VanDerWaalsContact O-N 3.17Å; D104-R106 WeakPolarHBondContact OD1-CB 3.41Å; D104-R106 WeakPolarHBondContact OD1-CG 3.4Å; D104-R106 PolarHBondContact OD1-N 2.89Å; D104-R106 IonicContact OD1-NE 3.32Å; D104-R106 PolarHBondContact OD1-NE 3.4Å; D104-R106 IonicContact OD2-CZ 2.87Å; D104-R106 VanDerWaalsContact OD2-CZ 3.28Å; D104-R106 IonicContact OD2-NE 3.01Å; D104-R106 PolarHBondContact OD2-NE 3.12Å; D104-R106 IonicContact OD2-NH2 2.72Å; D104-R106 PolarHBondContact OD2-NH2 3.42Å; D104-K107 HydrophobicContact CB-CD 4.23Å; D104-K107 HydrophobicContact CB-CG 4.17Å; D104-K107 WeakPolarHBondContact O-CB 3.4Å; D104-K107 PolarHBondContact O-N 2.83Å
105G90.2Very high94.2Very high53 Ų5357.7 Ų57.755%0.54631%0.306SS..G310 helixtrans-58-27.7178.800000113.4K107 R108G105-K107 PolarHBondContact O-N 3.31Å; G105-R108 VanDerWaalsContact O-CB 3.29Å; G105-R108 WeakPolarHBondContact O-CB 3.44Å; G105-R108 PolarHBondContact O-N 3.02Å
106R93.5Very high94.5Very high205 Ų20555.6 Ų55.677%0.77429%0.291SS*.G310 helixtrans-67.1-23176.1-64.4177.9-68.2179.2-0.3113.1D104 R108D104-R106 PolarHBondContact O-N 2.85Å; D104-R106 VanDerWaalsContact O-N 3.17Å; D104-R106 WeakPolarHBondContact OD1-CB 3.41Å; D104-R106 WeakPolarHBondContact OD1-CG 3.4Å; D104-R106 PolarHBondContact OD1-N 2.89Å; D104-R106 IonicContact OD1-NE 3.32Å; D104-R106 PolarHBondContact OD1-NE 3.4Å; D104-R106 IonicContact OD2-CZ 2.87Å; D104-R106 VanDerWaalsContact OD2-CZ 3.28Å; D104-R106 IonicContact OD2-NE 3.01Å; D104-R106 PolarHBondContact OD2-NE 3.12Å; D104-R106 IonicContact OD2-NH2 2.72Å; D104-R106 PolarHBondContact OD2-NH2 3.42Å; R106-R108 VanDerWaalsContact C-N 3.27Å; R106-R108 PolarHBondContact O-N 2.85Å
107K93.2Very high94.6Very high83 Ų8355.9 Ų55.936%0.36129%0.292SS..G310 helixtrans-841.6178.1-62.4-179.2-177.2177.30113.2V85 D104 G105 S109 M110V85-K107 HydrophobicContact CB-CB 4.08Å; V85-K107 HydrophobicContact CB-CD 4.18Å; V85-K107 HydrophobicContact CG1-CB 4.07Å; V85-K107 HydrophobicContact CG1-CD 3.98Å; V85-K107 HydrophobicContact CG2-CB 4.41Å; D104-K107 HydrophobicContact CB-CD 4.23Å; D104-K107 HydrophobicContact CB-CG 4.17Å; D104-K107 WeakPolarHBondContact O-CB 3.4Å; D104-K107 PolarHBondContact O-N 2.83Å; G105-K107 PolarHBondContact O-N 3.31Å; K107-S109 VanDerWaalsContact C-N 3.31Å; K107-S109 PolarHBondContact O-N 2.98Å; K107-M110 HydrophobicContact CB-SD 4.23Å; K107-M110 HydrophobicContact CG-SD 4.02Å; K107-M110 WeakPolarHBondContact O-CB 3.42Å; K107-M110 PolarHBondContact O-N 3.3Å
108R95.4Very high94.6Very high78 Ų7856.4 Ų56.429%0.29430%0.295SS..G310 helixtrans-51.4-48.6-179.2177.4-178.7-75.2-98.92.8112.2L102 G105 R106 M110 S111 V114 I117 T118 A119L102-R108 HydrophobicContact CD1-CB 3.78Å; L102-R108 HydrophobicContact CD1-CG 4.21Å; G105-R108 VanDerWaalsContact O-CB 3.29Å; G105-R108 WeakPolarHBondContact O-CB 3.44Å; G105-R108 PolarHBondContact O-N 3.02Å; R106-R108 VanDerWaalsContact C-N 3.27Å; R106-R108 PolarHBondContact O-N 2.85Å; R108-M110 PolarHBondContact O-N 2.85Å; R108-S111 WeakPolarHBondContact O-CB 3.48Å; R108-S111 PolarHBondContact O-N 2.81Å; R108-V114 HydrophobicContact CG-CG2 4.1Å; R108-V114 WeakPolarHBondContact O-CG2 3.46Å; R108-I117 HydrophobicContact CG-CD1 4.12Å; R108-I117 PolarHBondContact NH1-O 2.89Å; R108-T118 PolarHBondContact NH1-O 2.77Å; R108-T118 VanDerWaalsContact NH1-O 3.16Å; R108-T118 PolarHBondContact NH2-O 3Å; R108-A119 PolarHBondContact NH2-O 3.1Å
109S93.6Very high94.5Very high101 Ų10160.9 Ų60.971%0.70633%0.332SS*.G310 helixtrans-72.4-13.8-179.652.20000114.1K107 S111K107-S109 VanDerWaalsContact C-N 3.31Å; K107-S109 PolarHBondContact O-N 2.98Å; S109-S111 VanDerWaalsContact C-N 3.32Å
110M93.2Very high94.4Very high137 Ų13764 Ų6468%0.67536%0.355SS*.G310 helixtrans-83.1-11.6175.1-56.8-179.668.900112.5K107 R108K107-M110 HydrophobicContact CB-SD 4.23Å; K107-M110 HydrophobicContact CG-SD 4.02Å; K107-M110 WeakPolarHBondContact O-CB 3.42Å; K107-M110 PolarHBondContact O-N 3.3Å; R108-M110 PolarHBondContact O-N 2.85Å
111S94.3Very high94.4Very high13 Ų1364.3 Ų64.39%0.09136%0.358CS..  trans-75.7134.5179.8-174.30000111.1F86 R108 S109 W113 V114F86-S111 VanDerWaalsContact CE2-OG 3.3Å; F86-S111 WeakPolarHBondContact CE2-OG 3.41Å; F86-S111 WeakPolarHBondContact CZ-OG 3.4Å; R108-S111 WeakPolarHBondContact O-CB 3.48Å; R108-S111 PolarHBondContact O-N 2.81Å; S109-S111 VanDerWaalsContact C-N 3.32Å; S111-W113 PolarHBondContact O-N 3.37Å; S111-W113 VanDerWaalsContact O-N 3.14Å; S111-W113 PolarHBondContact OG-N 2.97Å; S111-V114 PolarHBondContact O-N 2.76Å
112L94.7Very high94.4Very high92 Ų9262.8 Ų62.848%0.48235%0.35SS..THydrogen-bonded Turntrans-58.8-19.5168.6-83.2151.7000113.2R51 N81R51-L112 VanDerWaalsContact CD-O 3.27Å; R51-L112 WeakPolarHBondContact CD-O 3.27Å; R51-L112 HydrophobicContact CG-CD2 4.39Å; R51-L112 PolarHBondContact NH1-O 3.5Å; N81-L112 HydrophobicContact CB-CD1 4.27Å
113W95.7Very high94.4Very high3 Ų362 Ų621%0.01135%0.346CS..THydrogen-bonded Turntrans-11829.4-171.3-54.1109.8000111.9R51 F52 L80 S111 E115 F116 L123 I128 F174R51-W113 HydrophobicContact CB-CH2 3.62Å; R51-W113 HydrophobicContact CB-CZ2 4.31Å; R51-W113 HydrophobicContact CB-CZ3 3.88Å; F52-W113 HydrophobicContact CD1-CH2 4.35Å; F52-W113 HydrophobicContact CE1-CH2 4.09Å; F52-W113 HydrophobicContact CE1-CZ3 4.15Å; F52-W113 HydrophobicContact CE2-CZ3 4.37Å; F52-W113 HydrophobicContact CZ-CH2 4.33Å; F52-W113 AromaticContact CZ-CZ3 3.94Å; F52-W113 HydrophobicContact CZ-CZ3 3.94Å; L80-W113 HydrophobicContact CB-CZ2 3.94Å; L80-W113 HydrophobicContact CD1-CH2 4.33Å; L80-W113 HydrophobicContact CD1-CZ2 4.06Å; L80-W113 HydrophobicContact CD2-CH2 3.95Å; L80-W113 HydrophobicContact CD2-CZ2 4.09Å; L80-W113 HydrophobicContact CG-CZ2 4.24Å; S111-W113 PolarHBondContact O-N 3.37Å; S111-W113 VanDerWaalsContact O-N 3.14Å; S111-W113 PolarHBondContact OG-N 2.97Å; W113-E115 PolarHBondContact O-N 3.39Å; W113-E115 VanDerWaalsContact O-N 3.15Å; W113-F116 HydrophobicContact CB-CD2 4.07Å; W113-F116 AromaticContact CE3-CD2 3.84Å; W113-F116 HydrophobicContact CE3-CD2 3.84Å; W113-F116 AromaticContact CE3-CE2 3.77Å; W113-F116 HydrophobicContact CE3-CE2 3.77Å; W113-F116 HydrophobicContact CZ3-CE2 4.31Å; W113-F116 PolarHBondContact O-N 2.93Å; W113-L123 HydrophobicContact CB-CD1 3.61Å; W113-L123 HydrophobicContact CG-CD1 4.45Å; W113-I128 HydrophobicContact CD2-CD1 4.44Å; W113-I128 HydrophobicContact CE3-CD1 4.49Å; W113-F174 AromaticContact NE1-CE1 3.9Å; W113-F174 AromaticContact NE1-CZ 3.78Å
114V95.8Very high94.4Very high64 Ų6459.8 Ų59.839%0.38833%0.33SS..G310 helixtrans-51.3-38.6-169.662.30000114R108 S111 F116 I117R108-V114 HydrophobicContact CG-CG2 4.1Å; R108-V114 WeakPolarHBondContact O-CG2 3.46Å; S111-V114 PolarHBondContact O-N 2.76Å; V114-F116 VanDerWaalsContact C-N 3.26Å; V114-F116 PolarHBondContact O-N 3.39Å; V114-I117 WeakPolarHBondContact O-CB 3.32Å; V114-I117 PolarHBondContact O-N 3.35Å
115E95.9Very high94.5Very high87 Ų8757.5 Ų57.541%0.40732%0.318SS..G310 helixtrans-72.3-19-178.572.8-86.3-143.100113.4R51 W113R51-E115 IonicContact CZ-OE1 2.75Å; R51-E115 VanDerWaalsContact NH1-CD 3.29Å; R51-E115 IonicContact NH1-OE1 2.67Å; R51-E115 PolarHBondContact NH1-OE1 2.89Å; R51-E115 IonicContact NH1-OE2 3.14Å; R51-E115 PolarHBondContact NH1-OE2 3.1Å; R51-E115 IonicContact NH2-OE1 3.09Å; R51-E115 PolarHBondContact NH2-OE1 3.3Å; W113-E115 PolarHBondContact O-N 3.39Å; W113-E115 VanDerWaalsContact O-N 3.15Å
116F96.1Very high94.7Very high15 Ų1560.9 Ų60.97%0.06632%0.315CS..G310 helixtrans-93.41.5178.2-51.3-53.7000112.7W113 V114 L123 S124 K127 I128 R131W113-F116 HydrophobicContact CB-CD2 4.07Å; W113-F116 AromaticContact CE3-CD2 3.84Å; W113-F116 HydrophobicContact CE3-CD2 3.84Å; W113-F116 AromaticContact CE3-CE2 3.77Å; W113-F116 HydrophobicContact CE3-CE2 3.77Å; W113-F116 HydrophobicContact CZ3-CE2 4.31Å; W113-F116 PolarHBondContact O-N 2.93Å; V114-F116 VanDerWaalsContact C-N 3.26Å; V114-F116 PolarHBondContact O-N 3.39Å; F116-L123 HydrophobicContact CB-CD1 3.92Å; F116-S124 PolarHBondContact O-N 2.89Å; F116-K127 HydrophobicContact CB-CB 4.31Å; F116-K127 HydrophobicContact CD1-CB 3.78Å; F116-K127 HydrophobicContact CG-CB 4.43Å; F116-I128 HydrophobicContact CB-CD1 4.47Å; F116-I128 HydrophobicContact CB-CG1 3.85Å; F116-I128 HydrophobicContact CD1-CG1 4.42Å; F116-I128 HydrophobicContact CD2-CD1 4.3Å; F116-I128 HydrophobicContact CD2-CG1 3.57Å; F116-I128 HydrophobicContact CE2-CG1 4.27Å; F116-I128 HydrophobicContact CG-CG1 3.67Å; F116-R131 HydrophobicContact CE1-CB 3.8Å; F116-R131 HydrophobicContact CE1-CG 4.23Å; F116-R131 HydrophobicContact CZ-CB 3.81Å; F116-R131 HydrophobicContact CZ-CG 3.8Å
117I95.8Very high94.8Very high9 Ų955.6 Ų55.65%0.04630%0.297CS..BIsolated β-bridgetrans-84.5123.9177.6-51.9177000109.9F86 L102 R108 V114 Y122 L123F86-I117 HydrophobicContact CE1-CD1 3.99Å; F86-I117 HydrophobicContact CE1-CG1 4.12Å; F86-I117 HydrophobicContact CZ-CD1 3.63Å; F86-I117 HydrophobicContact CZ-CG1 3.79Å; L102-I117 HydrophobicContact CD1-CD1 4.22Å; L102-I117 HydrophobicContact CD1-CG2 3.91Å; L102-I117 HydrophobicContact CD2-CD1 4.14Å; L102-I117 HydrophobicContact CG-CD1 4.38Å; L102-I117 HydrophobicContact CG-CG2 4.32Å; R108-I117 HydrophobicContact CG-CD1 4.12Å; R108-I117 PolarHBondContact NH1-O 2.89Å; V114-I117 WeakPolarHBondContact O-CB 3.32Å; V114-I117 PolarHBondContact O-N 3.35Å; I117-Y122 CarbonylContact C-O 3.54Å; I117-Y122 WeakPolarHBondContact CA-O 3.49Å; I117-L123 HydrophobicContact CG1-CD1 4.25Å
118T94.7Very high95Very high18 Ų1851.6 Ų51.611%0.1128%0.28CS..  trans-65.4165.5176.265.80000112R108 S120 G121 Y122 D228R108-T118 PolarHBondContact NH1-O 2.77Å; R108-T118 VanDerWaalsContact NH1-O 3.16Å; R108-T118 PolarHBondContact NH2-O 3Å; T118-S120 PolarHBondContact O-N 3.04Å; T118-G121 PolarHBondContact O-N 3.47Å; T118-Y122 PolarHBondContact N-O 3.01Å; T118-Y122 PolarHBondContact OG1-N 3.13Å; T118-Y122 PolarHBondContact OG1-O 3.11Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.43Å
119A93.2Very high95.1Very high100 Ų10048.5 Ų48.583%0.82627%0.268SS*.THydrogen-bonded Turntrans-55.7-38.7174.800000111.5R108 G121R108-A119 PolarHBondContact NH2-O 3.1Å; A119-G121 PolarHBondContact O-N 2.72Å
120S92.7Very high95.2Very high88 Ų8847 Ų4762%0.61526%0.258SS*.THydrogen-bonded Turntrans-74.3-1.1177.6-47.70000114.8T118T118-S120 PolarHBondContact O-N 3.04Å
121G94.5Very high95.4Very high7 Ų745.3 Ų45.37%0.07224%0.244CC..SBendtrans87.617.617400000115.4L102 T118 A119L102-G121 PolarHBondContact N-O 3.14Å; T118-G121 PolarHBondContact O-N 3.47Å; A119-G121 PolarHBondContact O-N 2.72Å
122Y94.7Very high95.6Very high54 Ų5444.8 Ų44.821%0.21224%0.24CC..BIsolated β-bridgetrans-93.2138.5175.4-61.9-81.1000111.4V99 L100 K101 I117 T118 S124V99-Y122 HydrophobicContact CB-CD1 3.91Å; V99-Y122 HydrophobicContact CB-CE1 4.18Å; V99-Y122 HydrophobicContact CG2-CD1 3.85Å; V99-Y122 HydrophobicContact CG2-CE1 3.62Å; L100-Y122 CarbonylContact O-C 3.56Å; L100-Y122 VanDerWaalsContact O-CA 3.27Å; L100-Y122 WeakPolarHBondContact O-CA 3.33Å; K101-Y122 HydrophobicContact CB-CD1 3.88Å; K101-Y122 HydrophobicContact CB-CE1 3.84Å; K101-Y122 HydrophobicContact CD-CD1 4.48Å; K101-Y122 HydrophobicContact CD-CE1 3.77Å; K101-Y122 HydrophobicContact CG-CD1 4.11Å; K101-Y122 HydrophobicContact CG-CE1 3.9Å; I117-Y122 CarbonylContact C-O 3.54Å; I117-Y122 WeakPolarHBondContact CA-O 3.49Å; T118-Y122 PolarHBondContact N-O 3.01Å; T118-Y122 PolarHBondContact OG1-N 3.13Å; T118-Y122 PolarHBondContact OG1-O 3.11Å; Y122-S124 PolarHBondContact O-N 3.18Å
123L95.9Very high95.7Very high0 Ų042.1 Ų42.10%023%0.225CC..BIsolated β-bridgetrans-79.1110.9170.1-17665.8000109.6F86 L100 W113 F116 I117 A125 I128 F174 W230F86-L123 HydrophobicContact CD1-CB 4.09Å; F86-L123 HydrophobicContact CD2-CB 4.46Å; F86-L123 HydrophobicContact CD2-CD2 4.03Å; F86-L123 HydrophobicContact CE1-CB 3.71Å; F86-L123 HydrophobicContact CE2-CB 4.15Å; F86-L123 HydrophobicContact CE2-CD1 4.2Å; F86-L123 HydrophobicContact CE2-CD2 3.74Å; F86-L123 HydrophobicContact CE2-CG 4.25Å; F86-L123 HydrophobicContact CG-CB 4.48Å; F86-L123 HydrophobicContact CZ-CB 3.77Å; F86-L123 HydrophobicContact CZ-CD1 3.9Å; F86-L123 HydrophobicContact CZ-CD2 4.15Å; F86-L123 HydrophobicContact CZ-CG 4.15Å; L100-L123 HydrophobicContact CB-CB 4.02Å; L100-L123 HydrophobicContact CD1-CD2 4.09Å; L100-L123 PolarHBondContact O-N 2.79Å; W113-L123 HydrophobicContact CB-CD1 3.61Å; W113-L123 HydrophobicContact CG-CD1 4.45Å; F116-L123 HydrophobicContact CB-CD1 3.92Å; I117-L123 HydrophobicContact CG1-CD1 4.25Å; L123-A125 PolarHBondContact O-N 3.02Å; L123-I128 HydrophobicContact CD1-CD1 4.02Å; L123-I128 HydrophobicContact CD2-CD1 4.1Å; L123-I128 HydrophobicContact CG-CD1 4.06Å; L123-F174 HydrophobicContact CD2-CE2 3.56Å; L123-F174 HydrophobicContact CD2-CZ 3.73Å; L123-W230 HydrophobicContact CD2-CZ2 4Å; L123-W230 HydrophobicContact CG-CZ2 4.13Å; L123-W230 PolarHBondContact O-NE1 3.25Å
124S95.4Very high95.8Very high0 Ų043.9 Ų43.90%024%0.24CC..  trans-80.3116.4-172.7139.20000111.9F116 Y122 R126 K127 I128 D228F116-S124 PolarHBondContact O-N 2.89Å; Y122-S124 PolarHBondContact O-N 3.18Å; S124-R126 PolarHBondContact O-N 3.4Å; S124-K127 PolarHBondContact O-N 2.97Å; S124-K127 WeakPolarHBondContact OG-CB 3.5Å; S124-K127 WeakPolarHBondContact OG-CG 3.45Å; S124-K127 PolarHBondContact OG-N 2.99Å; S124-I128 PolarHBondContact O-N 3.01Å; S124-D228 VanDerWaalsContact CB-OD1 3.28Å; S124-D228 WeakPolarHBondContact CB-OD1 2.94Å; S124-D228 PolarHBondContact OG-OD1 2.91Å
125A96Very high95.9Very high0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-55.9-47.7171.600000112.5L123 K127 I128 R129 S212 D228 A229 W230L123-A125 PolarHBondContact O-N 3.02Å; A125-K127 PolarHBondContact O-N 2.84Å; A125-I128 PolarHBondContact O-N 3.33Å; A125-R129 PolarHBondContact O-N 2.87Å; A125-S212 PolarHBondContact O-OG 3.34Å; A125-D228 PolarHBondContact N-O 3.2Å; A125-A229 WeakPolarHBondContact CB-O 3.48Å; A125-W230 HydrophobicContact CB-CD2 3.83Å; A125-W230 HydrophobicContact CB-CE3 4.32Å; A125-W230 HydrophobicContact CB-CG 4.07Å; A125-W230 HydrophobicContact CB-CZ2 4.13Å
126R95Very high96Very high125 Ų12536.7 Ų36.747%0.47220%0.202SC..Hα-helixtrans-57.7-47.7-180175.3-169.1-62-175.2-3.7113.1S124 R129 S130 G227S124-R126 PolarHBondContact O-N 3.4Å; R126-R129 PolarHBondContact O-N 2.79Å; R126-S130 WeakPolarHBondContact O-CB 3.4Å; R126-S130 PolarHBondContact O-N 3.41Å; R126-G227 WeakPolarHBondContact CB-O 3.39Å; R126-G227 VanDerWaalsContact CZ-CA 3.43Å; R126-G227 PolarHBondContact N-O 2.91Å
127K95.8Very high96.1Very high93 Ų9337.3 Ų37.340%0.40421%0.21SC..Hα-helixtrans-61.5-43.2177.8-69.7179.3178-1720112.7F116 S124 A125 S130 R131F116-K127 HydrophobicContact CB-CB 4.31Å; F116-K127 HydrophobicContact CD1-CB 3.78Å; F116-K127 HydrophobicContact CG-CB 4.43Å; S124-K127 PolarHBondContact O-N 2.97Å; S124-K127 WeakPolarHBondContact OG-CB 3.5Å; S124-K127 WeakPolarHBondContact OG-CG 3.45Å; S124-K127 PolarHBondContact OG-N 2.99Å; A125-K127 PolarHBondContact O-N 2.84Å; K127-S130 PolarHBondContact O-N 2.84Å; K127-R131 PolarHBondContact O-N 3.16Å
128I96.9Very high96.2Very high0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-59.7-48.7174.4-74.7179.2000110.1F52 L80 W113 F116 L123 S124 A125 S130 R131 F132 W230F52-I128 HydrophobicContact CE1-CG2 4.26Å; F52-I128 HydrophobicContact CZ-CG2 4.36Å; L80-I128 HydrophobicContact CD1-CD1 4.38Å; L80-I128 HydrophobicContact CD1-CG2 4.13Å; W113-I128 HydrophobicContact CD2-CD1 4.44Å; W113-I128 HydrophobicContact CE3-CD1 4.49Å; F116-I128 HydrophobicContact CB-CD1 4.47Å; F116-I128 HydrophobicContact CB-CG1 3.85Å; F116-I128 HydrophobicContact CD1-CG1 4.42Å; F116-I128 HydrophobicContact CD2-CD1 4.3Å; F116-I128 HydrophobicContact CD2-CG1 3.57Å; F116-I128 HydrophobicContact CE2-CG1 4.27Å; F116-I128 HydrophobicContact CG-CG1 3.67Å; L123-I128 HydrophobicContact CD1-CD1 4.02Å; L123-I128 HydrophobicContact CD2-CD1 4.1Å; L123-I128 HydrophobicContact CG-CD1 4.06Å; S124-I128 PolarHBondContact O-N 3.01Å; A125-I128 PolarHBondContact O-N 3.33Å; I128-S130 PolarHBondContact O-N 3.39Å; I128-R131 PolarHBondContact O-N 2.94Å; I128-F132 VanDerWaalsContact O-CB 3.31Å; I128-F132 WeakPolarHBondContact O-CB 3.45Å; I128-F132 PolarHBondContact O-N 2.96Å; I128-W230 HydrophobicContact CD1-CH2 3.81Å; I128-W230 HydrophobicContact CD1-CZ2 3.89Å
129R96.8Very high96.3Very high13 Ų1340.1 Ų40.15%0.04922%0.222CC..Hα-helixtrans-61.4-42.4179.3-175.7167.967.1-112.612.4112.4A125 R126 F132 Q133 S156 S212 K213A125-R129 PolarHBondContact O-N 2.87Å; R126-R129 PolarHBondContact O-N 2.79Å; R129-F132 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-CB 3.29Å; R129-Q133 WeakPolarHBondContact O-CB 3.05Å; R129-Q133 PolarHBondContact O-N 3.36Å; R129-S156 WeakPolarHBondContact CD-O 3.4Å; R129-S156 VanDerWaalsContact CG-O 3.29Å; R129-S156 WeakPolarHBondContact CG-O 3.34Å; R129-S156 PolarHBondContact NE-O 3.1Å; R129-S156 VanDerWaalsContact NE-O 3.16Å; R129-S156 PolarHBondContact NH2-OG 2.77Å; R129-S212 WeakPolarHBondContact CB-OG 3.47Å; R129-S212 WeakPolarHBondContact CD-O 3.22Å; R129-S212 PolarHBondContact NH1-OG 2.85Å; R129-K213 PolarHBondContact NH1-O 3.15Å
130S95.9Very high96.5Very high70 Ų7036 Ų3649%0.4919%0.186SC..Hα-helixtrans-63.3-43.3177.61780000112R126 K127 I128 Q133 A134R126-S130 WeakPolarHBondContact O-CB 3.4Å; R126-S130 PolarHBondContact O-N 3.41Å; K127-S130 PolarHBondContact O-N 2.84Å; I128-S130 PolarHBondContact O-N 3.39Å; S130-Q133 PolarHBondContact O-N 2.96Å; S130-A134 PolarHBondContact O-N 2.89Å; S130-A134 VanDerWaalsContact O-N 3.13Å
131R97.6Very high96.7Very high101 Ų10138.7 Ų38.738%0.38119%0.189SC..Hα-helixtrans-63.4-46.3173.8177.361.2172.4171.31.7111.3F52 F116 K127 I128 Q133 A134 L135F52-R131 HydrophobicContact CE2-CG 4.48Å; F116-R131 HydrophobicContact CE1-CB 3.8Å; F116-R131 HydrophobicContact CE1-CG 4.23Å; F116-R131 HydrophobicContact CZ-CB 3.81Å; F116-R131 HydrophobicContact CZ-CG 3.8Å; K127-R131 PolarHBondContact O-N 3.16Å; I128-R131 PolarHBondContact O-N 2.94Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; R131-Q133 PolarHBondContact O-N 3.29Å; R131-A134 PolarHBondContact O-N 2.83Å; R131-L135 HydrophobicContact CG-CD1 4.1Å; R131-L135 WeakPolarHBondContact O-CG 3.33Å; R131-L135 PolarHBondContact O-N 3.4Å
132F98Very high96.8Very high1 Ų144 Ų440%0.00421%0.21CC..Hα-helixtrans-61.9-41.6179.7-177-118.4000111.7L42 V45 F52 L78 I128 R129 A134 L135 V136 V158 I170 T172L42-F132 HydrophobicContact CD2-CE2 4.08Å; L42-F132 HydrophobicContact CD2-CZ 3.86Å; V45-F132 HydrophobicContact CG1-CD2 4.31Å; V45-F132 HydrophobicContact CG1-CE2 4.06Å; F52-F132 HydrophobicContact CB-CE2 4.49Å; F52-F132 AromaticContact CD1-CD2 3.68Å; F52-F132 HydrophobicContact CD1-CD2 3.68Å; F52-F132 HydrophobicContact CD1-CE2 4.16Å; F52-F132 HydrophobicContact CD1-CG 4.45Å; F52-F132 HydrophobicContact CD2-CD2 4.23Å; F52-F132 HydrophobicContact CE1-CB 4.08Å; F52-F132 AromaticContact CE1-CD2 3.83Å; F52-F132 HydrophobicContact CE1-CD2 3.83Å; F52-F132 HydrophobicContact CE1-CG 4.19Å; F52-F132 HydrophobicContact CE2-CD2 4.38Å; F52-F132 AromaticContact CG-CD2 3.9Å; F52-F132 HydrophobicContact CG-CD2 3.9Å; F52-F132 HydrophobicContact CG-CE2 4.31Å; F52-F132 HydrophobicContact CZ-CB 3.97Å; F52-F132 HydrophobicContact CZ-CD2 4.19Å; F52-F132 HydrophobicContact CZ-CG 4.48Å; L78-F132 HydrophobicContact CD2-CD2 4.37Å; L78-F132 HydrophobicContact CD2-CE1 4.47Å; L78-F132 HydrophobicContact CD2-CE2 3.5Å; L78-F132 HydrophobicContact CD2-CZ 3.58Å; I128-F132 VanDerWaalsContact O-CB 3.31Å; I128-F132 WeakPolarHBondContact O-CB 3.45Å; I128-F132 PolarHBondContact O-N 2.96Å; R129-F132 PolarHBondContact O-N 2.8Å; F132-A134 PolarHBondContact O-N 3.36Å; F132-L135 PolarHBondContact O-N 3.26Å; F132-V136 HydrophobicContact CD1-CG2 4.44Å; F132-V136 HydrophobicContact CD2-CG2 4.26Å; F132-V136 HydrophobicContact CE1-CG2 4.03Å; F132-V136 HydrophobicContact CE2-CG2 3.85Å; F132-V136 HydrophobicContact CZ-CG2 3.71Å; F132-V136 WeakPolarHBondContact O-CG2 3.48Å; F132-V136 PolarHBondContact O-N 3.33Å; F132-V158 HydrophobicContact CD1-CB 4.18Å; F132-V158 HydrophobicContact CD1-CG1 4.31Å; F132-V158 HydrophobicContact CD1-CG2 3.56Å; F132-V158 HydrophobicContact CE1-CB 4.15Å; F132-V158 HydrophobicContact CE1-CG1 3.98Å; F132-V158 HydrophobicContact CE1-CG2 4.04Å; F132-I170 HydrophobicContact CE1-CB 4.07Å; F132-I170 HydrophobicContact CE1-CG2 3.72Å; F132-I170 HydrophobicContact CZ-CB 4.41Å; F132-I170 HydrophobicContact CZ-CG2 3.73Å; F132-T172 HydrophobicContact CB-CG2 4.25Å; F132-T172 HydrophobicContact CD1-CG2 3.57Å; F132-T172 HydrophobicContact CD2-CG2 4.19Å; F132-T172 HydrophobicContact CE1-CG2 3.93Å; F132-T172 HydrophobicContact CE2-CG2 4.49Å; F132-T172 HydrophobicContact CG-CG2 3.74Å; F132-T172 HydrophobicContact CZ-CG2 4.39Å
133Q97.7Very high96.8Very high36 Ų3641.6 Ų41.617%0.16820%0.201CC..Hα-helixtrans-58.4-45.9174.3-171-179.832.100111.8R129 S130 R131 L135 V136 A137 M151 S155 V158R129-Q133 VanDerWaalsContact O-CB 3.29Å; R129-Q133 WeakPolarHBondContact O-CB 3.05Å; R129-Q133 PolarHBondContact O-N 3.36Å; S130-Q133 PolarHBondContact O-N 2.96Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; R131-Q133 PolarHBondContact O-N 3.29Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.23Å; Q133-V136 PolarHBondContact O-N 3.27Å; Q133-A137 WeakPolarHBondContact O-CB 3.48Å; Q133-A137 PolarHBondContact O-N 2.95Å; Q133-M151 HydrophobicContact CG-CE 3.95Å; Q133-M151 HydrophobicContact CG-SD 3.95Å; Q133-S155 PolarHBondContact NE2-O 3.35Å; Q133-V158 HydrophobicContact CB-CG2 3.72Å; Q133-V158 HydrophobicContact CG-CG2 4.2Å
134A97.6Very high96.8Very high40 Ų4048.3 Ų48.333%0.33123%0.232SC..Hα-helixtrans-63-40.417800000112.3S130 R131 F132 A137 Q138S130-A134 PolarHBondContact O-N 2.89Å; S130-A134 VanDerWaalsContact O-N 3.13Å; R131-A134 PolarHBondContact O-N 2.83Å; F132-A134 PolarHBondContact O-N 3.36Å; A134-A137 PolarHBondContact O-N 3.45Å; A134-Q138 WeakPolarHBondContact O-CG 3.25Å; A134-Q138 PolarHBondContact O-N 3.39Å
135L98.3Very high96.8Very high1 Ų151.7 Ų51.71%0.00525%0.246CC..Hα-helixtrans-65.3-44.2175.7-69.5166.1000111.5V45 Q48 E49 F52 R131 F132 Q133 A137 Q138 A139V45-L135 HydrophobicContact CG1-CB 3.99Å; V45-L135 HydrophobicContact CG1-CD1 4.25Å; V45-L135 HydrophobicContact CG2-CB 4.25Å; Q48-L135 HydrophobicContact CB-CD2 4Å; E49-L135 HydrophobicContact CB-CD1 3.61Å; E49-L135 HydrophobicContact CB-CD2 4.22Å; E49-L135 HydrophobicContact CG-CD1 3.94Å; F52-L135 HydrophobicContact CD2-CD1 3.64Å; F52-L135 HydrophobicContact CE2-CD1 3.58Å; R131-L135 HydrophobicContact CG-CD1 4.1Å; R131-L135 WeakPolarHBondContact O-CG 3.33Å; R131-L135 PolarHBondContact O-N 3.4Å; F132-L135 PolarHBondContact O-N 3.26Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.23Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-A137 PolarHBondContact O-N 3.36Å; L135-Q138 PolarHBondContact O-N 3.38Å; L135-A139 WeakPolarHBondContact O-CB 3.5Å; L135-A139 PolarHBondContact O-N 2.67Å
136V98.2Very high96.8Very high0 Ų058.9 Ų58.90%027%0.273CS..Hα-helixtrans-64.8-38.5178.3170.10000111.6I41 V45 F132 Q133 Q138 A139 V140 M151 V158 L160I41-V136 HydrophobicContact CG2-CG1 4.12Å; V45-V136 HydrophobicContact CG2-CG2 3.79Å; F132-V136 HydrophobicContact CD1-CG2 4.44Å; F132-V136 HydrophobicContact CD2-CG2 4.26Å; F132-V136 HydrophobicContact CE1-CG2 4.03Å; F132-V136 HydrophobicContact CE2-CG2 3.85Å; F132-V136 HydrophobicContact CZ-CG2 3.71Å; F132-V136 WeakPolarHBondContact O-CG2 3.48Å; F132-V136 PolarHBondContact O-N 3.33Å; Q133-V136 PolarHBondContact O-N 3.27Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.14Å; V136-A139 PolarHBondContact O-N 2.68Å; V136-V140 HydrophobicContact CG1-CG2 4.42Å; V136-V140 WeakPolarHBondContact O-CG2 3.4Å; V136-V140 PolarHBondContact O-N 2.88Å; V136-M151 HydrophobicContact CG1-SD 4.42Å; V136-V158 HydrophobicContact CB-CG1 3.91Å; V136-V158 HydrophobicContact CG1-CG1 3.72Å; V136-V158 HydrophobicContact CG2-CG1 3.88Å; V136-L160 HydrophobicContact CG1-CD2 3.86Å
137A97.4Very high96.8Very high27 Ų2759.8 Ų59.822%0.22329%0.287CS..Hα-helixtrans-56.9-48.6174.600000111.5Q133 A134 L135 V140 E141 M151Q133-A137 WeakPolarHBondContact O-CB 3.48Å; Q133-A137 PolarHBondContact O-N 2.95Å; A134-A137 PolarHBondContact O-N 3.45Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-A137 PolarHBondContact O-N 3.36Å; A137-V140 PolarHBondContact O-N 3.48Å; A137-E141 PolarHBondContact O-N 3.16Å; A137-M151 HydrophobicContact CB-CE 3.56Å; A137-M151 HydrophobicContact CB-SD 3.7Å
138Q97.3Very high96.8Very high87 Ų8757 Ų5741%0.40728%0.279SS..Hα-helixtrans-67.3-37177.9-66.2175.121.500112Q48 A134 L135 V136 E141 K142Q48-Q138 VanDerWaalsContact OE1-OE1 3.12Å; A134-Q138 WeakPolarHBondContact O-CG 3.25Å; A134-Q138 PolarHBondContact O-N 3.39Å; L135-Q138 PolarHBondContact O-N 3.38Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.14Å; Q138-E141 PolarHBondContact O-N 3.34Å; Q138-K142 PolarHBondContact O-N 2.82Å
139A97.9Very high96.9Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-67-36.517800000112.5I41 E44 V45 L135 V136 E141 K142 S143I41-A139 HydrophobicContact CG2-CB 3.96Å; E44-A139 HydrophobicContact CB-CB 3.88Å; E44-A139 HydrophobicContact CG-CB 3.75Å; V45-A139 HydrophobicContact CG2-CB 3.63Å; L135-A139 WeakPolarHBondContact O-CB 3.5Å; L135-A139 PolarHBondContact O-N 2.67Å; V136-A139 PolarHBondContact O-N 2.68Å; A139-E141 VanDerWaalsContact C-N 3.33Å; A139-E141 PolarHBondContact O-N 3.05Å; A139-K142 PolarHBondContact O-N 2.9Å; A139-S143 WeakPolarHBondContact O-CB 3.45Å; A139-S143 PolarHBondContact O-N 2.81Å
140V97.8Very high96.9Very high12 Ų1261.2 Ų61.27%0.07330%0.3CS..Hα-helixtrans-60.7-42.1174.9161.30000111.6I41 V136 A137 K142 S143 R146 V149 L160I41-V140 HydrophobicContact CD1-CG2 4.02Å; I41-V140 HydrophobicContact CG1-CG2 4.45Å; V136-V140 HydrophobicContact CG1-CG2 4.42Å; V136-V140 WeakPolarHBondContact O-CG2 3.4Å; V136-V140 PolarHBondContact O-N 2.88Å; A137-V140 PolarHBondContact O-N 3.48Å; V140-K142 VanDerWaalsContact C-N 3.29Å; V140-K142 PolarHBondContact O-N 2.85Å; V140-S143 PolarHBondContact O-N 2.84Å; V140-R146 WeakPolarHBondContact O-CB 3.41Å; V140-V149 HydrophobicContact CG1-CG1 4.06Å; V140-V149 WeakPolarHBondContact CG1-O 3.33Å; V140-V149 HydrophobicContact CG2-CG1 4.36Å; V140-V149 HydrophobicContact CG2-CG2 4.45Å; V140-L160 HydrophobicContact CG2-CD2 3.72Å
141E96.3Very high96.9Very high146 Ų14659.7 Ų59.768%0.68229%0.285SS*.Hα-helixtrans-65.6-31.9179.5-67.1178.517500113A137 Q138 A139A137-E141 PolarHBondContact O-N 3.16Å; Q138-E141 PolarHBondContact O-N 3.34Å; A139-E141 VanDerWaalsContact C-N 3.33Å; A139-E141 PolarHBondContact O-N 3.05Å
142K96Very high96.8Very high119 Ų11956 Ų5652%0.51727%0.273SS..Hα-helixtrans-91-16.6-179.9-65.7174.4179.5175.50114E44 Q138 A139 V140E44-K142 HydrophobicContact CG-CB 4.11Å; E44-K142 HydrophobicContact CG-CD 4.08Å; E44-K142 WeakPolarHBondContact OE1-CD 3.09Å; E44-K142 IonicContact OE1-NZ 2.67Å; E44-K142 PolarHBondContact OE1-NZ 2.89Å; E44-K142 VanDerWaalsContact OE1-NZ 3.08Å; Q138-K142 PolarHBondContact O-N 2.82Å; A139-K142 PolarHBondContact O-N 2.9Å; V140-K142 VanDerWaalsContact C-N 3.29Å; V140-K142 PolarHBondContact O-N 2.85Å
143S95Very high96.5Very high3 Ų361 Ų612%0.02130%0.304CS..SBendtrans-61.3145.7-177.8174.10000111.7D40 A139 V140 Y145 R146D40-S143 WeakPolarHBondContact OD2-CB 3.44Å; D40-S143 PolarHBondContact OD2-OG 3.34Å; A139-S143 WeakPolarHBondContact O-CB 3.45Å; A139-S143 PolarHBondContact O-N 2.81Å; V140-S143 PolarHBondContact O-N 2.84Å; S143-Y145 PolarHBondContact O-N 2.92Å; S143-Y145 VanDerWaalsContact O-N 3.11Å; S143-Y145 PolarHBondContact OG-N 3.4Å; S143-R146 WeakPolarHBondContact O-CB 3.47Å; S143-R146 PolarHBondContact O-N 3.21Å; S143-R146 VanDerWaalsContact O-N 3.13Å
144Q95.9Very high96.1Very high140 Ų14068.2 Ų68.265%0.65434%0.337SS*.THydrogen-bonded Turntrans-61.1-17.6169.166.3-177.6-35.600112.5D40D40-Q144 PolarHBondContact OD1-NE2 3.31Å
145Y96.4Very high95.6Very high71 Ų7167.9 Ų67.928%0.27833%0.333SS..THydrogen-bonded Turntrans-95.77.5179.1-63.2-69.7000113.9I37 D40 S143 D147 S148 V149I37-Y145 HydrophobicContact CB-CD2 4.17Å; I37-Y145 HydrophobicContact CB-CE2 4.48Å; I37-Y145 HydrophobicContact CB-CG 4.39Å; I37-Y145 HydrophobicContact CD1-CD1 4.43Å; I37-Y145 HydrophobicContact CG1-CD1 3.92Å; I37-Y145 HydrophobicContact CG1-CD2 3.96Å; I37-Y145 HydrophobicContact CG1-CE1 4.07Å; I37-Y145 HydrophobicContact CG1-CE2 4.09Å; I37-Y145 HydrophobicContact CG1-CG 3.87Å; I37-Y145 HydrophobicContact CG2-CD2 4.06Å; I37-Y145 HydrophobicContact CG2-CG 4.08Å; D40-Y145 HydrophobicContact CB-CD2 3.87Å; D40-Y145 HydrophobicContact CB-CE2 3.79Å; S143-Y145 PolarHBondContact O-N 2.92Å; S143-Y145 VanDerWaalsContact O-N 3.11Å; S143-Y145 PolarHBondContact OG-N 3.4Å; Y145-D147 PolarHBondContact O-N 3.35Å; Y145-S148 CarbonylContact O-C 3.13Å; Y145-S148 WeakPolarHBondContact O-CA 3.36Å; Y145-S148 PolarHBondContact O-N 3.37Å; Y145-S148 PolarHBondContact O-OG 2.93Å; Y145-V149 WeakPolarHBondContact O-CG1 3.33Å; Y145-V149 PolarHBondContact O-N 2.85Å; Y145-V149 VanDerWaalsContact O-N 3.1Å
146R94.9Very high95.3Very high151 Ų15169.7 Ų69.757%0.5735%0.346SS*.THydrogen-bonded Turntrans-48.4-33.1-173.768.8-178.1-177.1-134.9-3.7115.4V140 S143 S148V140-R146 WeakPolarHBondContact O-CB 3.41Å; S143-R146 WeakPolarHBondContact O-CB 3.47Å; S143-R146 PolarHBondContact O-N 3.21Å; S143-R146 VanDerWaalsContact O-N 3.13Å; R146-S148 PolarHBondContact O-N 2.89Å
147D96.2Very high95.2Very high145 Ų14570.3 Ų70.378%0.77535%0.349SS*.THydrogen-bonded Turntrans-76.3-12.7179.7-58-30.6000112.7Y145Y145-D147 PolarHBondContact O-N 3.35Å
148S95.8Very high95.2Very high34 Ų3469 Ų6924%0.23834%0.338CS..THydrogen-bonded Turntrans-121-2.3-175.771.50000113.8Y145 R146 I162 K163Y145-S148 CarbonylContact O-C 3.13Å; Y145-S148 WeakPolarHBondContact O-CA 3.36Å; Y145-S148 PolarHBondContact O-N 3.37Å; Y145-S148 PolarHBondContact O-OG 2.93Å; R146-S148 PolarHBondContact O-N 2.89Å; S148-I162 CarbonylContact O-C 3.32Å; S148-I162 WeakPolarHBondContact O-CA 3.24Å; S148-K163 PolarHBondContact O-N 3.01Å
149V97.5Very high95.2Very high1 Ų167.8 Ų67.81%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-134.1131.8179.7680000110.7I37 I41 V140 Y145 L160 R161 I162I37-V149 HydrophobicContact CG2-CB 4.27Å; I37-V149 HydrophobicContact CG2-CG1 4.49Å; I37-V149 HydrophobicContact CG2-CG2 4.33Å; I41-V149 HydrophobicContact CD1-CG1 4.13Å; I41-V149 HydrophobicContact CD1-CG2 3.87Å; V140-V149 HydrophobicContact CG1-CG1 4.06Å; V140-V149 WeakPolarHBondContact CG1-O 3.33Å; V140-V149 HydrophobicContact CG2-CG1 4.36Å; V140-V149 HydrophobicContact CG2-CG2 4.45Å; Y145-V149 WeakPolarHBondContact O-CG1 3.33Å; Y145-V149 PolarHBondContact O-N 2.85Å; Y145-V149 VanDerWaalsContact O-N 3.1Å; V149-L160 HydrophobicContact CG2-CB 4.01Å; V149-L160 HydrophobicContact CG2-CD1 4.19Å; V149-L160 HydrophobicContact CG2-CD2 4.25Å; V149-L160 HydrophobicContact CG2-CG 4.39Å; V149-R161 WeakPolarHBondContact CA-O 3.05Å; V149-I162 HydrophobicContact CB-CG1 4.37Å; V149-I162 HydrophobicContact CG2-CG1 3.79Å
150Q96.8Very high95.2Very high100 Ų10067.8 Ų67.847%0.46733%0.331SS..EExtended strand (participates in β ladder)trans-131142.6178.1-65.6174.2-0.600109.3L160 R161Q150-L160 CarbonylContact O-C 3.57Å; Q150-L160 WeakPolarHBondContact O-CA 3.18Å; Q150-R161 PolarHBondContact N-O 2.79Å; Q150-R161 PolarHBondContact O-N 2.94Å
151M96.7Very high95.3Very high38 Ų3871.5 Ų71.519%0.18734%0.344CS..EExtended strand (participates in β ladder)trans-80.6136.1171.7-163.5176.877.400110.2Q133 V136 A137 T153 L160Q133-M151 HydrophobicContact CG-CE 3.95Å; Q133-M151 HydrophobicContact CG-SD 3.95Å; V136-M151 HydrophobicContact CG1-SD 4.42Å; A137-M151 HydrophobicContact CB-CE 3.56Å; A137-M151 HydrophobicContact CB-SD 3.7Å; M151-T153 HydrophobicContact CE-CG2 3.99Å; M151-L160 HydrophobicContact CB-CD2 4.42Å; M151-L160 HydrophobicContact CG-CD2 4.43Å
152I96.3Very high95.3Very high23 Ų2364.6 Ų64.612%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-84116.5171.9-55.8179.9000107.9K159 R161 V167I152-K159 HydrophobicContact CB-CB 4.06Å; I152-K159 HydrophobicContact CD1-CB 4.05Å; I152-K159 HydrophobicContact CG1-CB 4.29Å; I152-K159 PolarHBondContact N-O 3.47Å; I152-R161 HydrophobicContact CD1-CB 4.35Å; I152-R161 HydrophobicContact CG1-CB 4.2Å; I152-V167 HydrophobicContact CD1-CG1 3.99Å; I152-V167 HydrophobicContact CD1-CG2 4.3Å
153T91.3Very high95.3Very high108 Ų10864.6 Ų64.666%0.66331%0.312SS*.  trans-96.9-9.5-17152.30000114.5M151 S155M151-T153 HydrophobicContact CE-CG2 3.99Å; T153-S155 PolarHBondContact O-N 3.47Å; T153-S155 VanDerWaalsContact O-N 3.16Å
154E88.7Confident95.3Very high186 Ų18672.3 Ų72.387%0.86935%0.347SS*.SBendtrans-752.1-177.3-63.2169-176.300114
155S87.9Confident95.3Very high33 Ų3373.4 Ų73.423%0.23135%0.345CS..SBendtrans-137.4154.5-175.8-179.80000111.3Q133 T153 E157Q133-S155 PolarHBondContact NE2-O 3.35Å; T153-S155 PolarHBondContact O-N 3.47Å; T153-S155 VanDerWaalsContact O-N 3.16Å; S155-E157 PolarHBondContact O-N 3.46Å; S155-E157 WeakPolarHBondContact OG-CB 2.75Å; S155-E157 PolarHBondContact OG-N 3.21Å; S155-E157 VanDerWaalsContact OG-N 3.15Å
156S91.7Very high95.4Very high40 Ų4071.7 Ų71.728%0.2834%0.339SS..SBendtrans-73.5-9169.478.40000113.2R129 E214R129-S156 WeakPolarHBondContact CD-O 3.4Å; R129-S156 VanDerWaalsContact CG-O 3.29Å; R129-S156 WeakPolarHBondContact CG-O 3.34Å; R129-S156 PolarHBondContact NE-O 3.1Å; R129-S156 VanDerWaalsContact NE-O 3.16Å; R129-S156 PolarHBondContact NH2-OG 2.77Å; S156-E214 PolarHBondContact OG-OE2 3.14Å
157E95.1Very high95.5Very high13 Ų1366.3 Ų66.36%0.06132%0.322CS..SBendtrans-79.8146177.1-61.4-71.4-168.500111.6S155 K159 Q169 K213 E214S155-E157 PolarHBondContact O-N 3.46Å; S155-E157 WeakPolarHBondContact OG-CB 2.75Å; S155-E157 PolarHBondContact OG-N 3.21Å; S155-E157 VanDerWaalsContact OG-N 3.15Å; E157-K159 HydrophobicContact CB-CD 4.29Å; E157-K159 HydrophobicContact CB-CG 4.08Å; E157-K159 PolarHBondContact O-N 3.27Å; E157-K159 VanDerWaalsContact O-N 3.11Å; E157-Q169 PolarHBondContact OE2-NE2 3.26Å; E157-Q169 VanDerWaalsContact OE2-NE2 3.14Å; E157-K213 WeakPolarHBondContact OE1-CA 3.31Å; E157-K213 WeakPolarHBondContact OE1-CB 3.42Å; E157-E214 HydrophobicContact CG-CB 4.49Å; E157-E214 PolarHBondContact OE1-N 2.96Å
158V97.8Very high95.6Very high0 Ų059.4 Ų59.40%029%0.286CS..  trans-81.595.7173-177.10000108.9F132 Q133 V136 Q169 I170F132-V158 HydrophobicContact CD1-CB 4.18Å; F132-V158 HydrophobicContact CD1-CG1 4.31Å; F132-V158 HydrophobicContact CD1-CG2 3.56Å; F132-V158 HydrophobicContact CE1-CB 4.15Å; F132-V158 HydrophobicContact CE1-CG1 3.98Å; F132-V158 HydrophobicContact CE1-CG2 4.04Å; Q133-V158 HydrophobicContact CB-CG2 3.72Å; Q133-V158 HydrophobicContact CG-CG2 4.2Å; V136-V158 HydrophobicContact CB-CG1 3.91Å; V136-V158 HydrophobicContact CG1-CG1 3.72Å; V136-V158 HydrophobicContact CG2-CG1 3.88Å; V158-Q169 CarbonylContact O-C 3.54Å; V158-Q169 WeakPolarHBondContact O-CA 3.34Å; V158-I170 HydrophobicContact CG1-CB 4.27Å; V158-I170 PolarHBondContact O-N 3.4Å
159K98.1Very high95.7Very high60 Ų6058.8 Ų58.826%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-119.5134.2179.3-68.6179.9-179.9176.80111.4I152 E157 V168 Q169I152-K159 HydrophobicContact CB-CB 4.06Å; I152-K159 HydrophobicContact CD1-CB 4.05Å; I152-K159 HydrophobicContact CG1-CB 4.29Å; I152-K159 PolarHBondContact N-O 3.47Å; E157-K159 HydrophobicContact CB-CD 4.29Å; E157-K159 HydrophobicContact CB-CG 4.08Å; E157-K159 PolarHBondContact O-N 3.27Å; E157-K159 VanDerWaalsContact O-N 3.11Å; K159-V168 CarbonylContact C-O 3.51Å; K159-V168 WeakPolarHBondContact CA-O 3.39Å; K159-Q169 HydrophobicContact CG-CB 4.05Å; K159-Q169 HydrophobicContact CG-CG 4.21Å
160L98.3Very high95.8Very high0 Ų058.8 Ų58.80%028%0.279CS..EExtended strand (participates in β ladder)trans-110.3135.9175.8-58.1178.3000109.5V38 I41 V136 V140 V149 Q150 M151 I162 V167 V168 I170V38-L160 HydrophobicContact CG2-CD1 4.3Å; I41-L160 HydrophobicContact CD1-CD1 3.47Å; I41-L160 VanDerWaalsContact CD1-CD1 3.47Å; V136-L160 HydrophobicContact CG1-CD2 3.86Å; V140-L160 HydrophobicContact CG2-CD2 3.72Å; V149-L160 HydrophobicContact CG2-CB 4.01Å; V149-L160 HydrophobicContact CG2-CD1 4.19Å; V149-L160 HydrophobicContact CG2-CD2 4.25Å; V149-L160 HydrophobicContact CG2-CG 4.39Å; Q150-L160 CarbonylContact O-C 3.57Å; Q150-L160 WeakPolarHBondContact O-CA 3.18Å; M151-L160 HydrophobicContact CB-CD2 4.42Å; M151-L160 HydrophobicContact CG-CD2 4.43Å; L160-I162 HydrophobicContact CB-CG1 4.47Å; L160-V167 CarbonylContact O-C 3.51Å; L160-V167 WeakPolarHBondContact O-CA 3.26Å; L160-V168 HydrophobicContact CB-CB 4.46Å; L160-V168 PolarHBondContact N-O 3.28Å; L160-V168 PolarHBondContact O-N 3Å; L160-I170 HydrophobicContact CD1-CD1 3.82Å; L160-I170 HydrophobicContact CG-CD1 4.46Å
161R98.1Very high95.8Very high90 Ų9054.1 Ų54.134%0.3426%0.257SS..EExtended strand (participates in β ladder)trans-99.6113.6165.4-175.1173.9-66.5109.8-1.4108.5V149 Q150 I152 Y166V149-R161 WeakPolarHBondContact CA-O 3.05Å; Q150-R161 PolarHBondContact N-O 2.79Å; Q150-R161 PolarHBondContact O-N 2.94Å; I152-R161 HydrophobicContact CD1-CB 4.35Å; I152-R161 HydrophobicContact CG1-CB 4.2Å; R161-Y166 CarbonylContact C-O 3.53Å; R161-Y166 WeakPolarHBondContact CA-O 3.05Å
162I97.8Very high95.9Very high2 Ų252.4 Ų52.41%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-105.4129-179.1-64.3177.1000109.4V34 I37 S148 V149 L160 E164 R165 Y166 V168V34-I162 HydrophobicContact CG1-CD1 4.25Å; V34-I162 HydrophobicContact CG2-CD1 4.27Å; I37-I162 HydrophobicContact CB-CD1 4.14Å; I37-I162 HydrophobicContact CD1-CD1 4.23Å; I37-I162 HydrophobicContact CD1-CG2 3.5Å; I37-I162 HydrophobicContact CG2-CD1 3.97Å; I37-I162 HydrophobicContact CG2-CG1 4.44Å; S148-I162 CarbonylContact O-C 3.32Å; S148-I162 WeakPolarHBondContact O-CA 3.24Å; V149-I162 HydrophobicContact CB-CG1 4.37Å; V149-I162 HydrophobicContact CG2-CG1 3.79Å; L160-I162 HydrophobicContact CB-CG1 4.47Å; I162-E164 PolarHBondContact O-N 3.17Å; I162-R165 PolarHBondContact O-N 3.09Å; I162-R165 VanDerWaalsContact O-N 3.09Å; I162-Y166 HydrophobicContact CG2-CD2 4.46Å; I162-Y166 PolarHBondContact N-O 2.85Å; I162-Y166 PolarHBondContact O-N 2.8Å; I162-V168 HydrophobicContact CD1-CG2 3.82Å; I162-V168 HydrophobicContact CG1-CG2 4.47Å
163K96Very high96Very high118 Ų11851.3 Ų51.351%0.51324%0.243SC..THydrogen-bonded Turntrans51.136.7179-63.4173.1179.2178.20112.6S148 R165S148-K163 PolarHBondContact O-N 3.01Å; K163-R165 WeakPolarHBondContact O-CB 3.38Å; K163-R165 PolarHBondContact O-N 2.56Å
164E95.3Very high96.2Very high165 Ų16546.2 Ų46.277%0.77121%0.212SC*.THydrogen-bonded Turntrans54.99.5-177-58.3-175.4164.100115.7I162I162-E164 PolarHBondContact O-N 3.17Å
165R95.8Very high96.6Very high163 Ų16342.1 Ų42.162%0.61519%0.189SC*.THydrogen-bonded Turntrans-127.5-40.3-167.5-178.9176.8177.4179.90.8113.1T72 I162 K163T72-R165 HydrophobicContact CG2-CG 4.4Å; I162-R165 PolarHBondContact O-N 3.09Å; I162-R165 VanDerWaalsContact O-N 3.09Å; K163-R165 WeakPolarHBondContact O-CB 3.38Å; K163-R165 PolarHBondContact O-N 2.56Å
166Y97.7Very high97Very high35 Ų3540.7 Ų40.714%0.13718%0.179CC..EExtended strand (participates in β ladder)trans-102.7134.2-173.1-52.8-61.2000110.1T30 T72 F74 R161 I162T30-Y166 HydrophobicContact CG2-CD1 3.73Å; T30-Y166 HydrophobicContact CG2-CD2 4.29Å; T30-Y166 HydrophobicContact CG2-CE1 3.44Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.44Å; T30-Y166 HydrophobicContact CG2-CE2 4.03Å; T30-Y166 HydrophobicContact CG2-CG 4.13Å; T72-Y166 HydrophobicContact CG2-CD1 4.25Å; T72-Y166 HydrophobicContact CG2-CE1 4.31Å; T72-Y166 CarbonylContact O-C 3.57Å; T72-Y166 VanDerWaalsContact O-CA 3.31Å; T72-Y166 WeakPolarHBondContact O-CA 3.27Å; F74-Y166 HydrophobicContact CE2-CD1 4.2Å; R161-Y166 CarbonylContact C-O 3.53Å; R161-Y166 WeakPolarHBondContact CA-O 3.05Å; I162-Y166 HydrophobicContact CG2-CD2 4.46Å; I162-Y166 PolarHBondContact N-O 2.85Å; I162-Y166 PolarHBondContact O-N 2.8Å
167V97.5Very high97.1Very high38 Ų3840.3 Ų40.323%0.2318%0.181CC..EExtended strand (participates in β ladder)trans-108.5129173.7-1800000108.7T72 E73 F74 I152 L160T72-V167 PolarHBondContact O-N 2.75Å; E73-V167 WeakPolarHBondContact CA-O 3.42Å; E73-V167 HydrophobicContact CG-CB 4.43Å; F74-V167 PolarHBondContact N-O 2.85Å; I152-V167 HydrophobicContact CD1-CG1 3.99Å; I152-V167 HydrophobicContact CD1-CG2 4.3Å; L160-V167 CarbonylContact O-C 3.51Å; L160-V167 WeakPolarHBondContact O-CA 3.26Å
168V98.3Very high97.1Very high0 Ų045.7 Ų45.70%021%0.21CC..EExtended strand (participates in β ladder)trans-128116.1-177.1-171.20000108.5V34 V38 F74 I76 K159 L160 I162V34-V168 HydrophobicContact CB-CG2 4.41Å; V34-V168 HydrophobicContact CG1-CB 4.29Å; V34-V168 HydrophobicContact CG1-CG1 3.91Å; V34-V168 HydrophobicContact CG1-CG2 3.39Å; V34-V168 HydrophobicContact CG2-CG2 4.14Å; V38-V168 HydrophobicContact CG2-CG1 4.05Å; F74-V168 HydrophobicContact CB-CG1 4.37Å; F74-V168 HydrophobicContact CB-CG2 4.45Å; F74-V168 HydrophobicContact CD2-CG2 4.3Å; F74-V168 WeakPolarHBondContact O-CA 3.34Å; I76-V168 HydrophobicContact CD1-CG1 3.79Å; I76-V168 HydrophobicContact CG1-CG1 4.3Å; K159-V168 CarbonylContact C-O 3.51Å; K159-V168 WeakPolarHBondContact CA-O 3.39Å; L160-V168 HydrophobicContact CB-CB 4.46Å; L160-V168 PolarHBondContact N-O 3.28Å; L160-V168 PolarHBondContact O-N 3Å; I162-V168 HydrophobicContact CD1-CG2 3.82Å; I162-V168 HydrophobicContact CG1-CG2 4.47Å
169Q98.2Very high97Very high21 Ų2149.5 Ų49.510%0.09823%0.229CC..EExtended strand (participates in β ladder)trans-89.9131.3170.8-178.7166.6-26.400109.6F74 E75 I76 E157 V158 K159 T171F74-Q169 PolarHBondContact O-N 3.24Å; E75-Q169 CarbonylContact C-O 3.19Å; E75-Q169 WeakPolarHBondContact CA-O 3.33Å; I76-Q169 PolarHBondContact N-O 2.64Å; E157-Q169 PolarHBondContact OE2-NE2 3.26Å; E157-Q169 VanDerWaalsContact OE2-NE2 3.14Å; V158-Q169 CarbonylContact O-C 3.54Å; V158-Q169 WeakPolarHBondContact O-CA 3.34Å; K159-Q169 HydrophobicContact CG-CB 4.05Å; K159-Q169 HydrophobicContact CG-CG 4.21Å; Q169-T171 PolarHBondContact NE2-OG1 3.26Å
170I98.3Very high96.9Very high2 Ų248.5 Ų48.51%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-107.6111.7171.3-50.6172000108V38 I76 L78 F132 V158 L160V38-I170 HydrophobicContact CG1-CD1 3.73Å; V38-I170 HydrophobicContact CG1-CG1 4.22Å; V38-I170 HydrophobicContact CG2-CD1 4.45Å; I76-I170 CarbonylContact O-C 3.58Å; I76-I170 WeakPolarHBondContact O-CA 3.48Å; L78-I170 HydrophobicContact CB-CG2 4.22Å; F132-I170 HydrophobicContact CE1-CB 4.07Å; F132-I170 HydrophobicContact CE1-CG2 3.72Å; F132-I170 HydrophobicContact CZ-CB 4.41Å; F132-I170 HydrophobicContact CZ-CG2 3.73Å; V158-I170 HydrophobicContact CG1-CB 4.27Å; V158-I170 PolarHBondContact O-N 3.4Å; L160-I170 HydrophobicContact CD1-CD1 3.82Å; L160-I170 HydrophobicContact CG-CD1 4.46Å
171T98Very high96.9Very high1 Ų148.5 Ų48.51%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-107.3118.7-175.8-58.60000109.5E75 I76 I77 L78 Q169 H211 K213E75-T171 WeakPolarHBondContact OE1-CB 3.37Å; E75-T171 PolarHBondContact OE1-OG1 3.11Å; I76-T171 PolarHBondContact O-N 3.07Å; I77-T171 WeakPolarHBondContact CA-O 3.29Å; I77-T171 HydrophobicContact CD1-CG2 4.34Å; L78-T171 PolarHBondContact N-O 2.92Å; Q169-T171 PolarHBondContact NE2-OG1 3.26Å; T171-H211 HydrophobicContact CG2-CB 3.72Å; T171-K213 HydrophobicContact CG2-CD 4.39Å; T171-K213 HydrophobicContact CG2-CG 3.78Å; T171-K213 WeakPolarHBondContact OG1-CE 3.36Å
172T97.9Very high96.8Very high2 Ų253.1 Ų53.11%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-72.1135.3170.656.60000110.1F52 L78 L80 F132 S212F52-T172 HydrophobicContact CD1-CG2 4.33Å; F52-T172 HydrophobicContact CE1-CG2 3.99Å; L78-T172 HydrophobicContact CD2-CG2 4.26Å; L78-T172 CarbonylContact O-C 3.56Å; L78-T172 WeakPolarHBondContact O-CA 3.39Å; L80-T172 HydrophobicContact CD2-CG2 4.16Å; F132-T172 HydrophobicContact CB-CG2 4.25Å; F132-T172 HydrophobicContact CD1-CG2 3.57Å; F132-T172 HydrophobicContact CD2-CG2 4.19Å; F132-T172 HydrophobicContact CE1-CG2 3.93Å; F132-T172 HydrophobicContact CE2-CG2 4.49Å; F132-T172 HydrophobicContact CG-CG2 3.74Å; F132-T172 HydrophobicContact CZ-CG2 4.39Å; T172-S212 PolarHBondContact O-N 2.88Å; T172-S212 VanDerWaalsContact OG1-CB 3.3Å; T172-S212 WeakPolarHBondContact OG1-CB 3.36Å
173A97.8Very high96.7Very high0 Ų054.3 Ų54.30%025%0.25CS..EExtended strand (participates in β ladder)trans-143.4159.6-178.300000114I77 L78 Y79 L80 L210I77-A173 HydrophobicContact CG2-CB 3.51Å; L78-A173 PolarHBondContact O-N 3.16Å; Y79-A173 WeakPolarHBondContact CA-O 3.36Å; Y79-A173 HydrophobicContact CD1-CB 4.32Å; Y79-A173 HydrophobicContact CE1-CB 4.49Å; L80-A173 PolarHBondContact N-O 3.42Å; A173-L210 CarbonylContact C-O 3.57Å; A173-L210 WeakPolarHBondContact CA-O 3.41Å; A173-L210 WeakPolarHBondContact CB-O 3.47Å
174F97.1Very high96.7Very high2 Ų248.7 Ų48.71%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-109.6133.6163.6-67-73.9000110.1L80 N81 M83 L100 W113 L123 D209 L210 W230L80-F174 HydrophobicContact CB-CD1 3.92Å; L80-F174 HydrophobicContact CB-CE1 3.6Å; L80-F174 HydrophobicContact CB-CZ 4.13Å; L80-F174 HydrophobicContact CD1-CE1 4.13Å; L80-F174 HydrophobicContact CD1-CE2 4.08Å; L80-F174 HydrophobicContact CD1-CZ 3.77Å; L80-F174 HydrophobicContact CG-CE1 4.49Å; N81-F174 VanDerWaalsContact O-CD1 3.22Å; N81-F174 WeakPolarHBondContact O-CD1 3.44Å; N81-F174 WeakPolarHBondContact O-CE1 3.33Å; M83-F174 HydrophobicContact CG-CB 3.65Å; M83-F174 HydrophobicContact CG-CD1 3.64Å; M83-F174 HydrophobicContact CG-CD2 4.19Å; M83-F174 HydrophobicContact CG-CE1 4.3Å; M83-F174 HydrophobicContact CG-CG 3.58Å; M83-F174 HydrophobicContact SD-CB 4.04Å; M83-F174 HydrophobicContact SD-CG 4.44Å; L100-F174 HydrophobicContact CD1-CD2 3.63Å; L100-F174 HydrophobicContact CD1-CE2 3.82Å; L100-F174 HydrophobicContact CD1-CG 4.48Å; W113-F174 AromaticContact NE1-CE1 3.9Å; W113-F174 AromaticContact NE1-CZ 3.78Å; L123-F174 HydrophobicContact CD2-CE2 3.56Å; L123-F174 HydrophobicContact CD2-CZ 3.73Å; F174-D209 WeakPolarHBondContact O-CA 3.01Å; F174-L210 HydrophobicContact CB-CB 4.39Å; F174-L210 PolarHBondContact N-O 2.96Å; F174-L210 PolarHBondContact O-N 2.75Å; F174-W230 HydrophobicContact CD2-CE3 4.12Å; F174-W230 AromaticContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CZ2 4.07Å; F174-W230 AromaticContact CD2-CZ3 3.65Å; F174-W230 HydrophobicContact CD2-CZ3 3.65Å; F174-W230 AromaticContact CE2-CH2 3.28Å; F174-W230 HydrophobicContact CE2-CH2 3.28Å; F174-W230 AromaticContact CE2-CZ2 3.58Å; F174-W230 HydrophobicContact CE2-CZ2 3.58Å; F174-W230 AromaticContact CE2-CZ3 3.81Å; F174-W230 HydrophobicContact CE2-CZ3 3.81Å; F174-W230 HydrophobicContact CZ-CH2 4.36Å
175R96.3Very high96.7Very high100 Ų10044.1 Ų44.138%0.37721%0.212SC..EExtended strand (participates in β ladder)trans-82130.3173.3-174.4169.6-74.6174.8-4.4110.4E64 Y79 D209E64-R175 IonicContact OE1-CZ 2.82Å; E64-R175 IonicContact OE1-NH1 2.67Å; E64-R175 PolarHBondContact OE1-NH1 3.28Å; E64-R175 IonicContact OE1-NH2 2.73Å; E64-R175 PolarHBondContact OE1-NH2 3.41Å; Y79-R175 HydrophobicContact CD1-CB 4.11Å; Y79-R175 HydrophobicContact CE1-CB 4.26Å; Y79-R175 VanDerWaalsContact CE2-NH2 3.28Å; Y79-R175 PolarHBondContact OH-NH2 3.03Å; Y79-R175 VanDerWaalsContact OH-NH2 3.15Å; R175-D209 WeakPolarHBondContact CA-OD1 3.44Å; R175-D209 IonicContact NE-OD1 2.74Å
176C96.4Very high96.7Very high3 Ų339.9 Ų39.92%0.0220%0.199CC..EExtended strand (participates in β ladder)trans-118.378.6-179.9-57.80000110.2M83 G207 F208M83-C176 HydrophobicContact CE-CB 4.35Å; M83-C176 WeakPolarHBondContact CE-SG 3.5Å; C176-G207 WeakPolarHBondContact O-CA 3.43Å; C176-F208 CarbonylContact C-O 3.55Å; C176-F208 VanDerWaalsContact CA-O 3.32Å; C176-F208 WeakPolarHBondContact CA-O 3.31Å; C176-F208 HydrophobicContact CB-CD1 4.07Å; C176-F208 HydrophobicContact CB-CD2 4.4Å; C176-F208 HydrophobicContact CB-CE1 3.78Å; C176-F208 HydrophobicContact CB-CE2 4.13Å; C176-F208 HydrophobicContact CB-CG 4.37Å; C176-F208 HydrophobicContact CB-CZ 3.8Å; C176-F208 VanDerWaalsContact CB-O 3.24Å; C176-F208 WeakPolarHBondContact CB-O 3.34Å; C176-F208 PolarHBondContact N-O 3.03Å; C176-F208 PolarHBondContact O-N 3.26Å; C176-F208 VanDerWaalsContact O-N 3.12Å
177G94.8Very high96.7Very high32 Ų3238.4 Ų38.433%0.3319%0.193SC..THydrogen-bonded Turntrans-81.9154.1176.100000113I179G177-I179 PolarHBondContact O-N 3.19Å; G177-I179 VanDerWaalsContact O-N 3.13Å
178N94.6Very high96.6Very high125 Ų12538.5 Ų38.567%0.66819%0.194SC*.THydrogen-bonded Turntrans58.716.6179.4-52.4-67.2000115.6Q205N178-Q205 PolarHBondContact N-O 3.27Å; N178-Q205 VanDerWaalsContact OD1-CG 3.26Å; N178-Q205 WeakPolarHBondContact OD1-CG 3.43Å
179I95.1Very high96.3Very high80 Ų8041.9 Ų41.941%0.4121%0.212SC..  trans-131.4139.5176.9-59.3174000107.5F88 G177 F208F88-I179 HydrophobicContact CD1-CG2 4.28Å; G177-I179 PolarHBondContact O-N 3.19Å; G177-I179 VanDerWaalsContact O-N 3.13Å; I179-F208 WeakPolarHBondContact O-CE1 3.4Å
180W97.1Very high95.8Very high40 Ų4047.4 Ų47.415%0.15225%0.25CC..  trans-118.9134.7177.1-162.5-107.1000110.7A184 W187 V203 K204 F234 A237 F321W180-A184 HydrophobicContact CZ2-CB 4.13Å; W180-A184 PolarHBondContact NE1-O 3.04Å; W180-W187 HydrophobicContact CZ2-CE3 4.16Å; W180-V203 HydrophobicContact CH2-CG1 3.98Å; W180-V203 HydrophobicContact CZ3-CG1 4.28Å; W180-K204 HydrophobicContact CB-CG 4.46Å; W180-K204 HydrophobicContact CD2-CG 3.88Å; W180-K204 HydrophobicContact CE3-CB 4.41Å; W180-K204 HydrophobicContact CE3-CG 4.14Å; W180-K204 HydrophobicContact CG-CD 4.29Å; W180-K204 HydrophobicContact CG-CG 4.03Å; W180-F234 AromaticContact CH2-CD1 3.58Å; W180-F234 HydrophobicContact CH2-CD1 3.58Å; W180-F234 AromaticContact CH2-CE1 3.76Å; W180-F234 HydrophobicContact CH2-CE1 3.76Å; W180-F234 HydrophobicContact CZ2-CD1 4.27Å; W180-F234 HydrophobicContact CZ2-CE1 4.06Å; W180-F234 AromaticContact CZ3-CD1 3.95Å; W180-F234 HydrophobicContact CZ3-CD1 3.95Å; W180-F234 HydrophobicContact CZ3-CE1 4.07Å; W180-A237 HydrophobicContact CH2-CB 4.44Å; W180-A237 HydrophobicContact CZ3-CB 4.41Å; W180-F321 HydrophobicContact CH2-CD1 4.1Å; W180-F321 HydrophobicContact CH2-CD2 4.42Å; W180-F321 AromaticContact CH2-CE1 3.81Å; W180-F321 HydrophobicContact CH2-CE1 3.81Å; W180-F321 HydrophobicContact CH2-CE2 4.15Å; W180-F321 HydrophobicContact CH2-CG 4.36Å; W180-F321 AromaticContact CH2-CZ 3.79Å; W180-F321 HydrophobicContact CH2-CZ 3.79Å; W180-F321 AromaticContact CZ2-CD1 3.64Å; W180-F321 HydrophobicContact CZ2-CD1 3.64Å; W180-F321 AromaticContact CZ2-CE1 3.67Å; W180-F321 HydrophobicContact CZ2-CE1 3.67Å; W180-F321 HydrophobicContact CZ2-CG 4.1Å; W180-F321 HydrophobicContact CZ2-CZ 4.14Å
181P97.2Very high95.4Very high0 Ų053.6 Ų53.60%029%0.287CS..  trans-70.7147.7-174.821.9-22.1000111.7F88 D90 S183 A184 S185 F208 M232 F234F88-P181 HydrophobicContact CE1-CB 4.32Å; F88-P181 HydrophobicContact CZ-CB 3.79Å; D90-P181 WeakPolarHBondContact OD2-CB 3.49Å; P181-S183 VanDerWaalsContact C-N 3.34Å; P181-S183 PolarHBondContact O-N 2.83Å; P181-A184 HydrophobicContact CG-CB 3.87Å; P181-A184 CarbonylContact O-C 3.58Å; P181-A184 PolarHBondContact O-N 2.85Å; P181-A184 VanDerWaalsContact O-N 3.16Å; P181-S185 PolarHBondContact O-N 3.28Å; P181-S185 VanDerWaalsContact O-N 3.07Å; P181-F208 HydrophobicContact CB-CE1 4.35Å; P181-F208 HydrophobicContact CB-CZ 4.31Å; P181-F208 HydrophobicContact CG-CD1 4.11Å; P181-F208 HydrophobicContact CG-CE1 4.11Å; P181-F208 HydrophobicContact CG-CG 4.43Å; P181-F208 HydrophobicContact CG-CZ 4.4Å; P181-M232 HydrophobicContact CB-SD 3.51Å; P181-M232 VanDerWaalsContact CB-SD 3.51Å; P181-M232 HydrophobicContact CG-SD 3.85Å; P181-F234 HydrophobicContact CG-CE1 3.63Å; P181-F234 HydrophobicContact CG-CZ 3.54Å
182R96.3Very high94.7Very high186 Ų18655.1 Ų55.170%0.70230%0.297SS*.G310 helixtrans-65.1-39.5-178.6-177.2-179176.4174.4-1111D90 A184 S185D90-R182 WeakPolarHBondContact OD2-CA 3.34Å; D90-R182 PolarHBondContact OD2-N 3.12Å; R182-A184 PolarHBondContact O-N 3.41Å; R182-S185 VanDerWaalsContact O-CB 3.28Å; R182-S185 WeakPolarHBondContact O-CB 3.24Å; R182-S185 PolarHBondContact O-N 2.89Å; R182-S185 PolarHBondContact O-OG 3.02Å
183S95.1Very high94.3Very high27 Ų2759 Ų5919%0.18932%0.324CS..G310 helixtrans-60.1-25.1176.870.20000112.5D90 P181 H186 M232D90-S183 WeakPolarHBondContact OD2-CB 3.41Å; D90-S183 PolarHBondContact OD2-N 2.6Å; D90-S183 PolarHBondContact OD2-OG 3.49Å; P181-S183 VanDerWaalsContact C-N 3.34Å; P181-S183 PolarHBondContact O-N 2.83Å; S183-H186 PolarHBondContact O-CE1 3.32Å; S183-H186 PolarHBondContact O-ND1 2.79Å; S183-M232 WeakPolarHBondContact OG-CE 3.44Å
184A96.8Very high94.2Very high0 Ų059.2 Ų59.20%033%0.325CS..G310 helixtrans-104.84.717600000113.8W180 P181 R182 H186 W187 F234 F321 I322W180-A184 HydrophobicContact CZ2-CB 4.13Å; W180-A184 PolarHBondContact NE1-O 3.04Å; P181-A184 HydrophobicContact CG-CB 3.87Å; P181-A184 CarbonylContact O-C 3.58Å; P181-A184 PolarHBondContact O-N 2.85Å; P181-A184 VanDerWaalsContact O-N 3.16Å; R182-A184 PolarHBondContact O-N 3.41Å; A184-H186 PolarHBondContact O-N 2.95Å; A184-W187 WeakPolarHBondContact O-CB 3.28Å; A184-W187 PolarHBondContact O-N 3.44Å; A184-W187 VanDerWaalsContact O-N 3.11Å; A184-F234 HydrophobicContact CB-CZ 4.38Å; A184-F321 VanDerWaalsContact CA-O 3.31Å; A184-F321 WeakPolarHBondContact CA-O 3.38Å; A184-F321 HydrophobicContact CB-CB 4.08Å; A184-F321 VanDerWaalsContact CB-O 3.29Å; A184-F321 WeakPolarHBondContact CB-O 3.4Å; A184-I322 HydrophobicContact CB-CG1 4.46Å
185S95.6Very high94.1Very high70 Ų7059.5 Ų59.549%0.4933%0.327SS..THydrogen-bonded Turntrans-67.6-20.5-175.263.30000114.1P181 R182 W187P181-S185 PolarHBondContact O-N 3.28Å; P181-S185 VanDerWaalsContact O-N 3.07Å; R182-S185 VanDerWaalsContact O-CB 3.28Å; R182-S185 WeakPolarHBondContact O-CB 3.24Å; R182-S185 PolarHBondContact O-N 2.89Å; R182-S185 PolarHBondContact O-OG 3.02Å; S185-W187 PolarHBondContact O-N 3.25Å
186H94.9Very high94Very high73 Ų7356.9 Ų56.934%0.33833%0.331SS..THydrogen-bonded Turntrans-67.2-13.517465.6-87000113.1S183 A184 P188 F321 P323S183-H186 PolarHBondContact O-CE1 3.32Å; S183-H186 PolarHBondContact O-ND1 2.79Å; A184-H186 PolarHBondContact O-N 2.95Å; H186-P188 CarbonylContact O-C 3.53Å; H186-P188 VanDerWaalsContact O-O 3.05Å; H186-F321 PolarHBondContact CE1-O 3.26Å; H186-F321 VanDerWaalsContact CE1-O 3.26Å; H186-P323 WeakPolarHBondContact CE1-CD 3.47Å; H186-P323 WeakPolarHBondContact NE2-CD 3.43Å; H186-P323 WeakPolarHBondContact NE2-CG 3.31Å
187W97.4Very high93.9Very high5 Ų564 Ų642%0.01937%0.368CS..PPolyproline II helixtrans-89.9139177.7-177.589.9000112.1W180 A184 S185 P195 V200 V203 K204 M241 Y320 F321W180-W187 HydrophobicContact CZ2-CE3 4.16Å; A184-W187 WeakPolarHBondContact O-CB 3.28Å; A184-W187 PolarHBondContact O-N 3.44Å; A184-W187 VanDerWaalsContact O-N 3.11Å; S185-W187 PolarHBondContact O-N 3.25Å; W187-P195 HydrophobicContact CH2-CG 3.88Å; W187-P195 HydrophobicContact CZ2-CG 3.5Å; W187-P195 VanDerWaalsContact CZ2-CG 3.5Å; W187-V200 HydrophobicContact CH2-CG1 4.5Å; W187-V200 HydrophobicContact CH2-CG2 4.31Å; W187-V200 HydrophobicContact CZ3-CG1 4.09Å; W187-V203 HydrophobicContact CH2-CB 3.93Å; W187-V203 HydrophobicContact CH2-CG1 3.62Å; W187-V203 HydrophobicContact CH2-CG2 4.28Å; W187-V203 HydrophobicContact CZ3-CB 4.15Å; W187-V203 HydrophobicContact CZ3-CG1 3.66Å; W187-K204 HydrophobicContact CZ3-CG 4.38Å; W187-K204 VanDerWaalsContact O-CE 3.32Å; W187-K204 WeakPolarHBondContact O-CE 3.29Å; W187-K204 PolarHBondContact O-NZ 3Å; W187-M241 HydrophobicContact CH2-SD 4.07Å; W187-M241 HydrophobicContact CZ2-SD 3.57Å; W187-M241 VanDerWaalsContact CZ2-SD 3.57Å; W187-Y320 AromaticContact CD1-CE1 3.99Å; W187-Y320 HydrophobicContact CZ2-CE1 4.49Å; W187-Y320 AromaticContact NE1-CE1 3.43Å; W187-Y320 AromaticContact NE1-CZ 3.45Å; W187-Y320 PolarHBondContact NE1-OH 2.76Å; W187-F321 HydrophobicContact CB-CD1 4.32Å; W187-F321 AromaticContact CD2-CD1 3.91Å; W187-F321 HydrophobicContact CD2-CD1 3.91Å; W187-F321 AromaticContact CD2-CE1 3.58Å; W187-F321 HydrophobicContact CD2-CE1 3.58Å; W187-F321 AromaticContact CE2-CE1 3.67Å; W187-F321 HydrophobicContact CE3-CD1 4.33Å; W187-F321 AromaticContact CE3-CE1 3.82Å; W187-F321 HydrophobicContact CE3-CE1 3.82Å; W187-F321 AromaticContact CG-CD1 3.86Å; W187-F321 HydrophobicContact CG-CD1 3.86Å; W187-F321 HydrophobicContact CG-CE1 4.02Å; W187-F321 HydrophobicContact CH2-CE1 4.2Å; W187-F321 AromaticContact CZ2-CE1 3.98Å; W187-F321 HydrophobicContact CZ2-CE1 3.98Å; W187-F321 HydrophobicContact CZ3-CE1 4.13Å
188P96.3Very high93.9Very high39 Ų3967.4 Ų67.425%0.25339%0.387SS..SBendcis-73.1155.6-6.633.3-37.9000112.2H186 V200H186-P188 CarbonylContact O-C 3.53Å; H186-P188 VanDerWaalsContact O-O 3.05Å; P188-V200 HydrophobicContact CG-CG1 4.19Å; P188-V200 HydrophobicContact CG-CG2 3.86Å
189L92.4Very high94Very high72 Ų7262.4 Ų62.438%0.37736%0.36SS..PPolyproline II helixtrans-70.6141177.1-68.2174.6000110.4V191 T192L189-V191 HydrophobicContact CB-CG1 4.14Å; L189-V191 PolarHBondContact O-N 2.95Å; L189-T192 HydrophobicContact CB-CG2 4.18Å; L189-T192 PolarHBondContact O-N 3.12Å; L189-T192 VanDerWaalsContact O-N 3.07Å; L189-T192 PolarHBondContact O-OG1 3.43Å
190P87.5Confident94.1Very high136 Ų13659.2 Ų59.288%0.88334%0.344SS*.THydrogen-bonded Turntrans-59.8-22.3-178.7-26.334.6000115.1
191V88.3Confident94.1Very high132 Ų13263.4 Ų63.480%0.837%0.365SS*.THydrogen-bonded Turntrans-82.2-17.3-179.1630000113.1L189L189-V191 HydrophobicContact CB-CG1 4.14Å; L189-V191 PolarHBondContact O-N 2.95Å
192T83.9Confident94.1Very high33 Ų3368.1 Ų68.120%0.20239%0.387CS..  trans-91.2133-176.156.20000111.1L189 W194 E284L189-T192 HydrophobicContact CB-CG2 4.18Å; L189-T192 PolarHBondContact O-N 3.12Å; L189-T192 VanDerWaalsContact O-N 3.07Å; L189-T192 PolarHBondContact O-OG1 3.43Å; T192-W194 VanDerWaalsContact C-N 3.34Å; T192-W194 PolarHBondContact OG1-O 3.17Å; T192-E284 HydrophobicContact CG2-CB 4.32Å; T192-E284 HydrophobicContact CG2-CG 4.26Å
193S89.1Confident94.2Very high83 Ų8359.3 Ų59.358%0.5835%0.354SS*.  trans-83-9.5173.545.30000113.7S287S193-S287 WeakPolarHBondContact OG-CB 3.31Å; S193-S287 PolarHBondContact OG-OG 3.5Å
194W95.2Very high94.4Very high5 Ų561.1 Ų61.12%0.01936%0.358CS..  trans-122.9142.9178.7-177.295.1000110.9T192 M241 L280 C283 E284 Y320T192-W194 VanDerWaalsContact C-N 3.34Å; T192-W194 PolarHBondContact OG1-O 3.17Å; W194-M241 HydrophobicContact CH2-CB 4.03Å; W194-M241 HydrophobicContact CH2-CG 4.46Å; W194-M241 HydrophobicContact CH2-SD 4.24Å; W194-M241 HydrophobicContact CZ2-CB 4.37Å; W194-L280 HydrophobicContact CH2-CD2 4.16Å; W194-C283 HydrophobicContact CD2-CB 3.83Å; W194-C283 HydrophobicContact CE3-CB 3.61Å; W194-C283 HydrophobicContact CH2-CB 3.5Å; W194-C283 VanDerWaalsContact CH2-CB 3.5Å; W194-C283 HydrophobicContact CZ2-CB 3.73Å; W194-C283 HydrophobicContact CZ3-CB 3.42Å; W194-C283 VanDerWaalsContact CZ3-CB 3.42Å; W194-E284 HydrophobicContact CE3-CG 4.28Å; W194-Y320 WeakPolarHBondContact CZ3-OH 3.42Å
195P95.7Very high94.4Very high9 Ų965.9 Ų65.96%0.05838%0.381CS..SBendcis-79.7162.2-5.228.2-27.6000113.1W187 L199 V200W187-P195 HydrophobicContact CH2-CG 3.88Å; W187-P195 HydrophobicContact CZ2-CG 3.5Å; W187-P195 VanDerWaalsContact CZ2-CG 3.5Å; P195-L199 HydrophobicContact CB-CB 4.04Å; P195-L199 HydrophobicContact CB-CD2 3.53Å; P195-L199 HydrophobicContact CB-CG 3.83Å; P195-L199 HydrophobicContact CG-CG 4.47Å; P195-V200 HydrophobicContact CG-CG2 3.81Å
196G93.6Very high94.5Very high44 Ų4465.5 Ų65.545%0.45437%0.371SS..  trans-62.6155.3172.800000112.5S198 L199 V200G196-S198 VanDerWaalsContact C-N 3.27Å; G196-S198 PolarHBondContact O-N 2.88Å; G196-S198 VanDerWaalsContact O-N 3.13Å; G196-L199 PolarHBondContact O-N 3.45Å; G196-V200 PolarHBondContact O-N 3.28Å
197L94.3Very high94.6Very high152 Ų15262 Ų6280%0.79636%0.356SS*.Hα-helixtrans-54-37.6-171.9-67.3175.6000114.4V200 H201L197-V200 WeakPolarHBondContact O-CB 3.46Å; L197-V200 PolarHBondContact O-N 3.4Å; L197-H201 PolarHBondContact O-N 2.93Å
198S95.8Very high94.6Very high105 Ų10562 Ų6273%0.73436%0.356SS*.Hα-helixtrans-62.3-43.8177.7-50.10000112G196 H201 E202G196-S198 VanDerWaalsContact C-N 3.27Å; G196-S198 PolarHBondContact O-N 2.88Å; G196-S198 VanDerWaalsContact O-N 3.13Å; S198-H201 WeakPolarHBondContact O-CB 3.41Å; S198-H201 PolarHBondContact O-N 3.47Å; S198-E202 PolarHBondContact O-N 3.24Å
199L96.5Very high94.7Very high19 Ų1960.3 Ų60.310%0.09934%0.344CS..Hα-helixtrans-70.5-34.7177.9179.558.5000111.2P195 G196 H201 E202 V203 I240 M244P195-L199 HydrophobicContact CB-CB 4.04Å; P195-L199 HydrophobicContact CB-CD2 3.53Å; P195-L199 HydrophobicContact CB-CG 3.83Å; P195-L199 HydrophobicContact CG-CG 4.47Å; G196-L199 PolarHBondContact O-N 3.45Å; L199-H201 VanDerWaalsContact C-N 3.31Å; L199-H201 PolarHBondContact O-N 3.49Å; L199-E202 PolarHBondContact O-N 3.19Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 WeakPolarHBondContact O-CB 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.49Å; L199-V203 PolarHBondContact O-N 3.3Å; L199-I240 HydrophobicContact CD1-CG2 3.57Å; L199-M244 HydrophobicContact CD2-CE 4.34Å
200V97.2Very high95Very high14 Ų1456.9 Ų56.99%0.08533%0.326CS..Hα-helixtrans-59-44.1171.1175.60000111.1W187 P188 P195 G196 L197 K204W187-V200 HydrophobicContact CH2-CG1 4.5Å; W187-V200 HydrophobicContact CH2-CG2 4.31Å; W187-V200 HydrophobicContact CZ3-CG1 4.09Å; P188-V200 HydrophobicContact CG-CG1 4.19Å; P188-V200 HydrophobicContact CG-CG2 3.86Å; P195-V200 HydrophobicContact CG-CG2 3.81Å; G196-V200 PolarHBondContact O-N 3.28Å; L197-V200 WeakPolarHBondContact O-CB 3.46Å; L197-V200 PolarHBondContact O-N 3.4Å; V200-K204 HydrophobicContact CG1-CD 4.34Å; V200-K204 WeakPolarHBondContact O-CG 3.33Å; V200-K204 PolarHBondContact O-N 3.15Å
201H97.2Very high95.4Very high128 Ų12850.6 Ų50.659%0.59329%0.285SS*.Hα-helixtrans-63.4-47.8178.6-174.467.7000111.4L197 S198 L199 V203 K204 Q205L197-H201 PolarHBondContact O-N 2.93Å; S198-H201 WeakPolarHBondContact O-CB 3.41Å; S198-H201 PolarHBondContact O-N 3.47Å; L199-H201 VanDerWaalsContact C-N 3.31Å; L199-H201 PolarHBondContact O-N 3.49Å; H201-V203 PolarHBondContact O-N 3.02Å; H201-K204 PolarHBondContact O-N 3.48Å; H201-Q205 VanDerWaalsContact O-CB 3.29Å; H201-Q205 WeakPolarHBondContact O-CB 3.24Å; H201-Q205 PolarHBondContact O-N 2.86Å
202E97.9Very high95.8Very high99 Ų9944.4 Ų44.446%0.46325%0.247SC..Hα-helixtrans-58-46.7177.6-169.9-177.6174.100111.9S198 L199 K204 Q205 E206 I240S198-E202 PolarHBondContact O-N 3.24Å; L199-E202 PolarHBondContact O-N 3.19Å; E202-K204 PolarHBondContact O-N 3.2Å; E202-Q205 PolarHBondContact O-N 3.14Å; E202-E206 PolarHBondContact O-N 3.18Å; E202-I240 HydrophobicContact CG-CD1 4.4Å; E202-I240 HydrophobicContact CG-CG2 3.96Å
203V98Very high96.2Very high0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-61.5-44.1178.1168.50000112W180 W187 L199 H201 Q205 G207 A237 I240 M241 F321W180-V203 HydrophobicContact CH2-CG1 3.98Å; W180-V203 HydrophobicContact CZ3-CG1 4.28Å; W187-V203 HydrophobicContact CH2-CB 3.93Å; W187-V203 HydrophobicContact CH2-CG1 3.62Å; W187-V203 HydrophobicContact CH2-CG2 4.28Å; W187-V203 HydrophobicContact CZ3-CB 4.15Å; W187-V203 HydrophobicContact CZ3-CG1 3.66Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 WeakPolarHBondContact O-CB 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.49Å; L199-V203 PolarHBondContact O-N 3.3Å; H201-V203 PolarHBondContact O-N 3.02Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; V203-G207 PolarHBondContact O-N 2.79Å; V203-A237 HydrophobicContact CG1-CB 3.92Å; V203-I240 HydrophobicContact CG2-CB 4.43Å; V203-I240 HydrophobicContact CG2-CG2 3.95Å; V203-M241 HydrophobicContact CG2-CG 3.47Å; V203-M241 VanDerWaalsContact CG2-CG 3.47Å; V203-M241 HydrophobicContact CG2-SD 4.35Å; V203-F321 HydrophobicContact CG1-CE1 4.35Å; V203-F321 HydrophobicContact CG1-CZ 3.94Å
204K97.8Very high96.1Very high65 Ų6545.3 Ų45.328%0.28324%0.24SC..Hα-helixtrans-70.9-30.6178.3-73.5-172.5174.9179.10112.6W180 W187 V200 H201 E202W180-K204 HydrophobicContact CB-CG 4.46Å; W180-K204 HydrophobicContact CD2-CG 3.88Å; W180-K204 HydrophobicContact CE3-CB 4.41Å; W180-K204 HydrophobicContact CE3-CG 4.14Å; W180-K204 HydrophobicContact CG-CD 4.29Å; W180-K204 HydrophobicContact CG-CG 4.03Å; W187-K204 HydrophobicContact CZ3-CG 4.38Å; W187-K204 VanDerWaalsContact O-CE 3.32Å; W187-K204 WeakPolarHBondContact O-CE 3.29Å; W187-K204 PolarHBondContact O-NZ 3Å; V200-K204 HydrophobicContact CG1-CD 4.34Å; V200-K204 WeakPolarHBondContact O-CG 3.33Å; V200-K204 PolarHBondContact O-N 3.15Å; H201-K204 PolarHBondContact O-N 3.48Å; E202-K204 PolarHBondContact O-N 3.2Å
205Q97.7Very high95.1Very high101 Ų10146.6 Ų46.647%0.47225%0.247SC..Hα-helixtrans-70.3-41.7177-169.2179.71.300111.5N178 H201 E202 V203 G207N178-Q205 PolarHBondContact N-O 3.27Å; N178-Q205 VanDerWaalsContact OD1-CG 3.26Å; N178-Q205 WeakPolarHBondContact OD1-CG 3.43Å; H201-Q205 VanDerWaalsContact O-CB 3.29Å; H201-Q205 WeakPolarHBondContact O-CB 3.24Å; H201-Q205 PolarHBondContact O-N 2.86Å; E202-Q205 PolarHBondContact O-N 3.14Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; Q205-G207 VanDerWaalsContact C-N 3.26Å; Q205-G207 PolarHBondContact O-N 2.97Å
206E97.7Very high93.5Very high61 Ų6151.4 Ų51.429%0.28528%0.279SS..Hα-helixtrans-56.8-42.5173.4-176.759.3-145.200111.3E202 Q236 I240E202-E206 PolarHBondContact O-N 3.18Å; E206-Q236 HydrophobicContact CG-CB 3.74Å; E206-Q236 WeakPolarHBondContact OE1-CB 3.33Å; E206-Q236 PolarHBondContact OE1-NE2 3.04Å; E206-Q236 PolarHBondContact OE1-OE1 2.76Å; E206-I240 HydrophobicContact CB-CD1 3.66Å; E206-I240 HydrophobicContact CG-CD1 3.69Å
207G97.5Very high91.5Very high1 Ų151.2 Ų51.21%0.0127%0.273CS..  trans80.3-137.5176.500000112.7C176 V203 Q205C176-G207 WeakPolarHBondContact O-CA 3.43Å; V203-G207 PolarHBondContact O-N 2.79Å; Q205-G207 VanDerWaalsContact C-N 3.26Å; Q205-G207 PolarHBondContact O-N 2.97Å
208F97.9Very high89.4Confident5 Ų546.4 Ų46.42%0.02225%0.248CC..EExtended strand (participates in β ladder)trans-155.9171.8-172.966.6-76.2000111.5F88 C176 I179 P181 L210 M232 S233 F234F88-F208 HydrophobicContact CD1-CZ 4.5Å; F88-F208 HydrophobicContact CD2-CE2 4.37Å; F88-F208 AromaticContact CD2-CZ 3.93Å; F88-F208 HydrophobicContact CD2-CZ 3.93Å; F88-F208 HydrophobicContact CE1-CZ 4.08Å; F88-F208 AromaticContact CE2-CE2 3.73Å; F88-F208 HydrophobicContact CE2-CE2 3.73Å; F88-F208 AromaticContact CE2-CZ 3.42Å; F88-F208 HydrophobicContact CE2-CZ 3.42Å; F88-F208 VanDerWaalsContact CE2-CZ 3.42Å; F88-F208 HydrophobicContact CG-CZ 4.43Å; F88-F208 HydrophobicContact CZ-CE1 4.43Å; F88-F208 HydrophobicContact CZ-CE2 4.14Å; F88-F208 AromaticContact CZ-CZ 3.52Å; F88-F208 HydrophobicContact CZ-CZ 3.52Å; C176-F208 CarbonylContact C-O 3.55Å; C176-F208 VanDerWaalsContact CA-O 3.32Å; C176-F208 WeakPolarHBondContact CA-O 3.31Å; C176-F208 HydrophobicContact CB-CD1 4.07Å; C176-F208 HydrophobicContact CB-CD2 4.4Å; C176-F208 HydrophobicContact CB-CE1 3.78Å; C176-F208 HydrophobicContact CB-CE2 4.13Å; C176-F208 HydrophobicContact CB-CG 4.37Å; C176-F208 HydrophobicContact CB-CZ 3.8Å; C176-F208 VanDerWaalsContact CB-O 3.24Å; C176-F208 WeakPolarHBondContact CB-O 3.34Å; C176-F208 PolarHBondContact N-O 3.03Å; C176-F208 PolarHBondContact O-N 3.26Å; C176-F208 VanDerWaalsContact O-N 3.12Å; I179-F208 WeakPolarHBondContact O-CE1 3.4Å; P181-F208 HydrophobicContact CB-CE1 4.35Å; P181-F208 HydrophobicContact CB-CZ 4.31Å; P181-F208 HydrophobicContact CG-CD1 4.11Å; P181-F208 HydrophobicContact CG-CE1 4.11Å; P181-F208 HydrophobicContact CG-CG 4.43Å; P181-F208 HydrophobicContact CG-CZ 4.4Å; F208-L210 HydrophobicContact CD2-CD2 4.34Å; F208-L210 HydrophobicContact CE2-CD2 3.69Å; F208-L210 HydrophobicContact CE2-CG 3.95Å; F208-M232 HydrophobicContact CD2-CB 4.28Å; F208-M232 HydrophobicContact CD2-CG 3.99Å; F208-M232 HydrophobicContact CD2-SD 4.46Å; F208-M232 HydrophobicContact CE2-CG 3.91Å; F208-M232 HydrophobicContact CE2-SD 4.16Å; F208-S233 WeakPolarHBondContact CA-O 3.27Å; F208-S233 WeakPolarHBondContact CB-O 3.48Å; F208-F234 HydrophobicContact CB-CD1 3.68Å; F208-F234 HydrophobicContact CB-CE1 3.71Å; F208-F234 HydrophobicContact CB-CG 4.35Å; F208-F234 HydrophobicContact CB-CZ 4.38Å; F208-F234 HydrophobicContact CG-CE1 4.19Å
209D97.7Very high87Confident3 Ų350.4 Ų50.42%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-114.1146.9176.6-59.8-50.1000111Y79 F174 R175 H211 M232 S233Y79-D209 WeakPolarHBondContact CE1-OD1 3.47Å; Y79-D209 PolarHBondContact OH-OD2 2.94Å; F174-D209 WeakPolarHBondContact O-CA 3.01Å; R175-D209 WeakPolarHBondContact CA-OD1 3.44Å; R175-D209 IonicContact NE-OD1 2.74Å; D209-H211 WeakPolarHBondContact CB-NE2 3.37Å; D209-M232 CarbonylContact O-C 3.57Å; D209-M232 WeakPolarHBondContact O-CA 3.31Å; D209-S233 PolarHBondContact N-O 3.32Å; D209-S233 PolarHBondContact O-N 3.05Å
210L97.6Very high84.3Confident0 Ų055.6 Ų55.60%029%0.291CS..EExtended strand (participates in β ladder)trans-104.5105.4173.3-73.8179000109.1M83 F88 A98 L100 A173 F174 F208 W230 M232M83-L210 HydrophobicContact SD-CD1 4.16Å; F88-L210 HydrophobicContact CD2-CD1 4.12Å; F88-L210 HydrophobicContact CE2-CD2 4.31Å; A98-L210 HydrophobicContact CB-CD2 4.1Å; L100-L210 HydrophobicContact CD1-CD1 4.14Å; L100-L210 HydrophobicContact CD2-CD1 3.72Å; L100-L210 HydrophobicContact CG-CD1 3.99Å; A173-L210 CarbonylContact C-O 3.57Å; A173-L210 WeakPolarHBondContact CA-O 3.41Å; A173-L210 WeakPolarHBondContact CB-O 3.47Å; F174-L210 HydrophobicContact CB-CB 4.39Å; F174-L210 PolarHBondContact N-O 2.96Å; F174-L210 PolarHBondContact O-N 2.75Å; F208-L210 HydrophobicContact CD2-CD2 4.34Å; F208-L210 HydrophobicContact CE2-CD2 3.69Å; F208-L210 HydrophobicContact CE2-CG 3.95Å; L210-W230 HydrophobicContact CB-CB 3.9Å; L210-W230 HydrophobicContact CB-CD2 4.43Å; L210-W230 HydrophobicContact CB-CE3 4.16Å; L210-W230 HydrophobicContact CB-CG 4.36Å; L210-W230 HydrophobicContact CD2-CB 3.87Å; L210-W230 HydrophobicContact CG-CB 4.31Å; L210-M232 HydrophobicContact CD2-CG 3.94Å
211H97.3Very high81.6Confident4 Ų462.2 Ų62.22%0.01932%0.319CS..EExtended strand (participates in β ladder)trans-93.2134.5-176.1-71-159.8000111.1I77 T171 D209 K213 V231 S233I77-H211 VanDerWaalsContact CD1-CE1 3.41Å; I77-H211 WeakPolarHBondContact CD1-CE1 3.46Å; T171-H211 HydrophobicContact CG2-CB 3.72Å; D209-H211 WeakPolarHBondContact CB-NE2 3.37Å; H211-K213 HydrophobicContact CB-CD 4.4Å; H211-K213 HydrophobicContact CB-CG 4.18Å; H211-K213 PolarHBondContact O-N 3.19Å; H211-K213 VanDerWaalsContact O-N 3.12Å; H211-V231 HydrophobicContact CB-CB 4.33Å; H211-V231 PolarHBondContact N-O 3.34Å; H211-V231 PolarHBondContact O-N 3.13Å; H211-S233 WeakPolarHBondContact CE1-CB 3.22Å; H211-S233 PolarHBondContact CE1-OG 2.64Å; H211-S233 VanDerWaalsContact CE1-OG 3.27Å; H211-S233 WeakPolarHBondContact NE2-CB 3.48Å; H211-S233 PolarHBondContact NE2-OG 2.87Å
212S96.1Very high79.2Confident1 Ų165.9 Ų65.91%0.00734%0.337CS..  trans-82.187.4166.2-1730000109.8A125 R129 T172A125-S212 PolarHBondContact O-OG 3.34Å; R129-S212 WeakPolarHBondContact CB-OG 3.47Å; R129-S212 WeakPolarHBondContact CD-O 3.22Å; R129-S212 PolarHBondContact NH1-OG 2.85Å; T172-S212 PolarHBondContact O-N 2.88Å; T172-S212 VanDerWaalsContact OG1-CB 3.3Å; T172-S212 WeakPolarHBondContact OG1-CB 3.36Å
213K93Very high77.2Confident45 Ų4563.4 Ų63.420%0.19633%0.33CS..  trans-122.9164.9176.2-76.4-173.9176.7-175.50111.7E75 R129 E157 T171 H211 V231E75-K213 WeakPolarHBondContact OE1-CE 3.38Å; E75-K213 IonicContact OE1-NZ 3.08Å; E75-K213 PolarHBondContact OE1-NZ 3.35Å; E75-K213 IonicContact OE2-NZ 3.77Å; E75-K213 PolarHBondContact OE2-NZ 3.38Å; R129-K213 PolarHBondContact NH1-O 3.15Å; E157-K213 WeakPolarHBondContact OE1-CA 3.31Å; E157-K213 WeakPolarHBondContact OE1-CB 3.42Å; T171-K213 HydrophobicContact CG2-CD 4.39Å; T171-K213 HydrophobicContact CG2-CG 3.78Å; T171-K213 WeakPolarHBondContact OG1-CE 3.36Å; H211-K213 HydrophobicContact CB-CD 4.4Å; H211-K213 HydrophobicContact CB-CG 4.18Å; H211-K213 PolarHBondContact O-N 3.19Å; H211-K213 VanDerWaalsContact O-N 3.12Å; K213-V231 HydrophobicContact CB-CB 4.44Å; K213-V231 HydrophobicContact CB-CG2 3.97Å
214E85.7Confident75.3Confident91 Ų9167.1 Ų67.143%0.42536%0.361SS..  trans-77.1138.9167.4-165.9168.6172.900110.8S156 E157S156-E214 PolarHBondContact OG-OE2 3.14Å; E157-E214 HydrophobicContact CG-CB 4.49Å; E157-E214 PolarHBondContact OE1-N 2.96Å
215I75.6Confident73.4Confident32 Ų3269.7 Ų69.716%0.16438%0.375CS..  trans-97.9100.2-177.8-54.9164.1000108V94 C97 A217 L218 E226 A229 V231V94-I215 HydrophobicContact CG1-CD1 4.06Å; C97-I215 HydrophobicContact CB-CD1 4.26Å; C97-I215 WeakPolarHBondContact SG-CD1 3.35Å; I215-A217 HydrophobicContact CG2-CB 4.19Å; I215-A217 PolarHBondContact O-N 3.47Å; I215-A217 VanDerWaalsContact O-N 3.11Å; I215-L218 HydrophobicContact CG2-CD1 3.97Å; I215-E226 WeakPolarHBondContact CD1-O 3.49Å; I215-A229 HydrophobicContact CD1-CB 4.23Å; I215-V231 HydrophobicContact CG1-CG2 3.89Å
216C61.6Low71.9Confident109 Ų10966.7 Ų66.774%0.73636%0.361SS*.G310 helixtrans-62.1-18.1-176.1-85.50000114.6L218C216-L218 PolarHBondContact O-N 3.14Å
217A51.6Low70.6Confident40 Ų4064.2 Ų64.233%0.33135%0.352SS..G310 helixtrans-63-12.9-174.800000114.5I215I215-A217 HydrophobicContact CG2-CB 4.19Å; I215-A217 PolarHBondContact O-N 3.47Å; I215-A217 VanDerWaalsContact O-N 3.11Å
218L49.9Very low69.9Low51 Ų5165.7 Ų65.727%0.26736%0.36SS..G310 helixtrans-13223.3-154.7-70.3152.7000115.5V94 I215 C216 C220 K221 E226V94-L218 HydrophobicContact CG1-CD1 4.31Å; I215-L218 HydrophobicContact CG2-CD1 3.97Å; C216-L218 PolarHBondContact O-N 3.14Å; L218-C220 PolarHBondContact O-N 2.82Å; L218-K221 PolarHBondContact O-N 3.44Å; L218-E226 WeakPolarHBondContact CB-OE2 3.36Å; L218-E226 HydrophobicContact CD1-CB 4.33Å; L218-E226 HydrophobicContact CD1-CG 3.83Å; L218-E226 VanDerWaalsContact CD1-OE2 3.28Å; L218-E226 WeakPolarHBondContact CD1-OE2 3.33Å
219Q46.1Very low69.7Low189 Ų18965.6 Ų65.688%0.88336%0.36SS*.THydrogen-bonded Turntrans-52.1-16169-76.2-171-16.200113.7
220C39.2Very low69.6Low128 Ų12865.4 Ų65.487%0.86536%0.359SS*.THydrogen-bonded Turntrans-93.2-12.3177.8-82.50000116.6L218L218-C220 PolarHBondContact O-N 2.82Å
221K41.6Very low69.5Low153 Ų15367 Ų6767%0.66537%0.368SS*.  trans-142.8100.6-178.9-69.5-170.9179.3-1800111.3L218 S223L218-K221 PolarHBondContact O-N 3.44Å; K221-S223 PolarHBondContact O-N 3.15Å
222Q46.5Very low69.5Low206 Ų20667.2 Ų67.296%0.96337%0.37SS*.  trans-71.968.3173.4-69.3178.3-16.100111.2
223S54.7Low69.6Low47 Ų4767.8 Ų67.833%0.32937%0.373SS..  trans-80.3129.1165.294.10000108.7K221 M225 E226K221-S223 PolarHBondContact O-N 3.15Å; S223-M225 PolarHBondContact O-N 3.33Å; S223-E226 WeakPolarHBondContact CB-OE1 3.43Å; S223-E226 PolarHBondContact O-N 3.21Å; S223-E226 VanDerWaalsContact OG-CG 3.24Å; S223-E226 WeakPolarHBondContact OG-CG 3.49Å; S223-E226 PolarHBondContact OG-OE1 3.48Å
224A58.3Low69.8Low77 Ų7765.7 Ų65.764%0.63636%0.364SS*.Hα-helixtrans-59-30.7-178.400000112.3E226 G227A224-E226 PolarHBondContact O-N 3.26Å; A224-G227 PolarHBondContact O-N 3.28Å
225M59Low70.3Confident119 Ų11962.4 Ų62.459%0.58635%0.349SS*.Hα-helixtrans-66.5-33.9-179.9-77-170.662.600113.8S223 G227 D228S223-M225 PolarHBondContact O-N 3.33Å; M225-G227 VanDerWaalsContact C-N 3.26Å; M225-G227 PolarHBondContact O-N 3.44Å; M225-D228 PolarHBondContact O-N 2.99Å
226E65.6Low71.3Confident39 Ų3963 Ų6318%0.18235%0.352CS..Hα-helixtrans-67-30-179.8-75155.3-148.200112.2V94 I215 L218 S223 A224 D228 A229V94-E226 HydrophobicContact CG2-CG 3.85Å; I215-E226 WeakPolarHBondContact CD1-O 3.49Å; L218-E226 WeakPolarHBondContact CB-OE2 3.36Å; L218-E226 HydrophobicContact CD1-CB 4.33Å; L218-E226 HydrophobicContact CD1-CG 3.83Å; L218-E226 VanDerWaalsContact CD1-OE2 3.28Å; L218-E226 WeakPolarHBondContact CD1-OE2 3.33Å; S223-E226 WeakPolarHBondContact CB-OE1 3.43Å; S223-E226 PolarHBondContact O-N 3.21Å; S223-E226 VanDerWaalsContact OG-CG 3.24Å; S223-E226 WeakPolarHBondContact OG-CG 3.49Å; S223-E226 PolarHBondContact OG-OE1 3.48Å; A224-E226 PolarHBondContact O-N 3.26Å; E226-D228 PolarHBondContact O-N 2.82Å; E226-A229 PolarHBondContact O-N 3.5Å
227G69.4Low73Confident9 Ų957.9 Ų57.99%0.09332%0.317CS..Hα-helixtrans-63-28.7174.900000114.6R126 A224 M225R126-G227 WeakPolarHBondContact CB-O 3.39Å; R126-G227 VanDerWaalsContact CZ-CA 3.43Å; R126-G227 PolarHBondContact N-O 2.91Å; A224-G227 PolarHBondContact O-N 3.28Å; M225-G227 VanDerWaalsContact C-N 3.26Å; M225-G227 PolarHBondContact O-N 3.44Å
228D83Confident75.2Confident32 Ų3256 Ų5617%0.17130%0.301CS..THydrogen-bonded Turntrans-94.3-6.8-171.4-63.3-22.5000112.1T118 S124 A125 M225 E226T118-D228 WeakPolarHBondContact CG2-OD2 3.43Å; S124-D228 VanDerWaalsContact CB-OD1 3.28Å; S124-D228 WeakPolarHBondContact CB-OD1 2.94Å; S124-D228 PolarHBondContact OG-OD1 2.91Å; A125-D228 PolarHBondContact N-O 3.2Å; M225-D228 PolarHBondContact O-N 2.99Å; E226-D228 PolarHBondContact O-N 2.82Å
229A94Very high77.5Confident2 Ų256.5 Ų56.52%0.01730%0.304CS..  trans-78.4154.3-179.400000113C97 A98 V99 A125 I215 E226C97-A229 HydrophobicContact CB-CB 3.98Å; A98-A229 WeakPolarHBondContact O-CA 3.39Å; V99-A229 HydrophobicContact CG1-CB 4.15Å; A125-A229 WeakPolarHBondContact CB-O 3.48Å; I215-A229 HydrophobicContact CD1-CB 4.23Å; E226-A229 PolarHBondContact O-N 3.5Å
230W96Very high79.9Confident0 Ų048.8 Ų48.80%027%0.269CS..EExtended strand (participates in β ladder)trans-107.5131-179.8-6476.5000109.3L80 C97 A98 L100 L123 A125 I128 F174 L210L80-W230 HydrophobicContact CD1-CH2 4.44Å; C97-W230 CarbonylContact C-O 3.56Å; C97-W230 WeakPolarHBondContact CA-O 3.32Å; C97-W230 WeakPolarHBondContact CB-O 3.37Å; A98-W230 PolarHBondContact N-O 3.49Å; A98-W230 PolarHBondContact O-N 3.18Å; L100-W230 HydrophobicContact CD1-CD2 4.34Å; L100-W230 HydrophobicContact CD1-CZ2 4.39Å; L123-W230 HydrophobicContact CD2-CZ2 4Å; L123-W230 HydrophobicContact CG-CZ2 4.13Å; L123-W230 PolarHBondContact O-NE1 3.25Å; A125-W230 HydrophobicContact CB-CD2 3.83Å; A125-W230 HydrophobicContact CB-CE3 4.32Å; A125-W230 HydrophobicContact CB-CG 4.07Å; A125-W230 HydrophobicContact CB-CZ2 4.13Å; I128-W230 HydrophobicContact CD1-CH2 3.81Å; I128-W230 HydrophobicContact CD1-CZ2 3.89Å; F174-W230 HydrophobicContact CD2-CE3 4.12Å; F174-W230 AromaticContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CZ2 4.07Å; F174-W230 AromaticContact CD2-CZ3 3.65Å; F174-W230 HydrophobicContact CD2-CZ3 3.65Å; F174-W230 AromaticContact CE2-CH2 3.28Å; F174-W230 HydrophobicContact CE2-CH2 3.28Å; F174-W230 AromaticContact CE2-CZ2 3.58Å; F174-W230 HydrophobicContact CE2-CZ2 3.58Å; F174-W230 AromaticContact CE2-CZ3 3.81Å; F174-W230 HydrophobicContact CE2-CZ3 3.81Å; F174-W230 HydrophobicContact CZ-CH2 4.36Å; L210-W230 HydrophobicContact CB-CB 3.9Å; L210-W230 HydrophobicContact CB-CD2 4.43Å; L210-W230 HydrophobicContact CB-CE3 4.16Å; L210-W230 HydrophobicContact CB-CG 4.36Å; L210-W230 HydrophobicContact CD2-CB 3.87Å; L210-W230 HydrophobicContact CG-CB 4.31Å
231V95.9Very high82.7Confident33 Ų3342.7 Ų42.720%0.223%0.228CC..EExtended strand (participates in β ladder)trans-76.5127.8179.1177.70000109.2H211 K213 I215H211-V231 HydrophobicContact CB-CB 4.33Å; H211-V231 PolarHBondContact N-O 3.34Å; H211-V231 PolarHBondContact O-N 3.13Å; K213-V231 HydrophobicContact CB-CB 4.44Å; K213-V231 HydrophobicContact CB-CG2 3.97Å; I215-V231 HydrophobicContact CG1-CG2 3.89Å
232M96.9Very high85.4Confident9 Ų935.5 Ų35.54%0.04420%0.196CC..EExtended strand (participates in β ladder)trans-75.9136.2174.8-69.3-177.6-86.800110.8F88 G96 C97 A98 P181 S183 F208 D209 L210 F234 I322F88-M232 HydrophobicContact CZ-SD 4.47Å; G96-M232 PolarHBondContact O-N 2.87Å; C97-M232 WeakPolarHBondContact O-CE 3.37Å; A98-M232 HydrophobicContact CB-CE 4.45Å; A98-M232 HydrophobicContact CB-CG 4.4Å; A98-M232 HydrophobicContact CB-SD 4.39Å; P181-M232 HydrophobicContact CB-SD 3.51Å; P181-M232 VanDerWaalsContact CB-SD 3.51Å; P181-M232 HydrophobicContact CG-SD 3.85Å; S183-M232 WeakPolarHBondContact OG-CE 3.44Å; F208-M232 HydrophobicContact CD2-CB 4.28Å; F208-M232 HydrophobicContact CD2-CG 3.99Å; F208-M232 HydrophobicContact CD2-SD 4.46Å; F208-M232 HydrophobicContact CE2-CG 3.91Å; F208-M232 HydrophobicContact CE2-SD 4.16Å; D209-M232 CarbonylContact O-C 3.57Å; D209-M232 WeakPolarHBondContact O-CA 3.31Å; L210-M232 HydrophobicContact CD2-CG 3.94Å; M232-F234 HydrophobicContact CB-CE2 3.9Å; M232-F234 HydrophobicContact CB-CZ 4.2Å; M232-F234 HydrophobicContact SD-CZ 4.46Å; M232-I322 HydrophobicContact CB-CD1 4.38Å; M232-I322 HydrophobicContact CE-CD1 3.73Å; M232-I322 HydrophobicContact SD-CD1 4.28Å
233S97.5Very high87.7Confident12 Ų1228.4 Ų28.48%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-133130.1179.1166.70000110.1F208 D209 H211 N235F208-S233 WeakPolarHBondContact CA-O 3.27Å; F208-S233 WeakPolarHBondContact CB-O 3.48Å; D209-S233 PolarHBondContact N-O 3.32Å; D209-S233 PolarHBondContact O-N 3.05Å; H211-S233 WeakPolarHBondContact CE1-CB 3.22Å; H211-S233 PolarHBondContact CE1-OG 2.64Å; H211-S233 VanDerWaalsContact CE1-OG 3.27Å; H211-S233 WeakPolarHBondContact NE2-CB 3.48Å; H211-S233 PolarHBondContact NE2-OG 2.87Å; S233-N235 PolarHBondContact OG-ND2 3.36Å
234F98.1Very high89.6Confident2 Ų229.9 Ų29.91%0.00917%0.172CC..  trans-113.122.6-174.7-59.5-93000112.6W180 P181 A184 F208 M232 Q236 A237 E238 H319 F321 I322W180-F234 AromaticContact CH2-CD1 3.58Å; W180-F234 HydrophobicContact CH2-CD1 3.58Å; W180-F234 AromaticContact CH2-CE1 3.76Å; W180-F234 HydrophobicContact CH2-CE1 3.76Å; W180-F234 HydrophobicContact CZ2-CD1 4.27Å; W180-F234 HydrophobicContact CZ2-CE1 4.06Å; W180-F234 AromaticContact CZ3-CD1 3.95Å; W180-F234 HydrophobicContact CZ3-CD1 3.95Å; W180-F234 HydrophobicContact CZ3-CE1 4.07Å; P181-F234 HydrophobicContact CG-CE1 3.63Å; P181-F234 HydrophobicContact CG-CZ 3.54Å; A184-F234 HydrophobicContact CB-CZ 4.38Å; F208-F234 HydrophobicContact CB-CD1 3.68Å; F208-F234 HydrophobicContact CB-CE1 3.71Å; F208-F234 HydrophobicContact CB-CG 4.35Å; F208-F234 HydrophobicContact CB-CZ 4.38Å; F208-F234 HydrophobicContact CG-CE1 4.19Å; M232-F234 HydrophobicContact CB-CE2 3.9Å; M232-F234 HydrophobicContact CB-CZ 4.2Å; M232-F234 HydrophobicContact SD-CZ 4.46Å; F234-Q236 VanDerWaalsContact C-N 3.27Å; F234-Q236 PolarHBondContact O-N 3.38Å; F234-Q236 VanDerWaalsContact O-N 3.1Å; F234-A237 HydrophobicContact CB-CB 4.32Å; F234-A237 WeakPolarHBondContact O-CB 3.43Å; F234-A237 PolarHBondContact O-N 3.18Å; F234-A237 VanDerWaalsContact O-N 3.17Å; F234-E238 HydrophobicContact CB-CG 4.1Å; F234-E238 WeakPolarHBondContact O-CB 3.3Å; F234-E238 VanDerWaalsContact O-CG 3.23Å; F234-E238 WeakPolarHBondContact O-CG 3.32Å; F234-E238 PolarHBondContact O-N 3.16Å; F234-H319 AromaticContact CD2-CE1 3.69Å; F234-H319 AromaticContact CD2-NE2 3.98Å; F234-H319 AromaticContact CE2-CE1 3.97Å; F234-F321 HydrophobicContact CB-CD2 3.61Å; F234-F321 HydrophobicContact CB-CE2 3.65Å; F234-F321 AromaticContact CD1-CD2 3.79Å; F234-F321 HydrophobicContact CD1-CD2 3.79Å; F234-F321 HydrophobicContact CD1-CE2 4.12Å; F234-F321 HydrophobicContact CD1-CG 4.36Å; F234-F321 HydrophobicContact CD2-CB 4.45Å; F234-F321 AromaticContact CD2-CD2 3.99Å; F234-F321 HydrophobicContact CD2-CD2 3.99Å; F234-F321 HydrophobicContact CE1-CD2 4.45Å; F234-F321 HydrophobicContact CE2-CB 4.35Å; F234-F321 AromaticContact CG-CD2 3.52Å; F234-F321 HydrophobicContact CG-CD2 3.52Å; F234-F321 AromaticContact CG-CE2 3.98Å; F234-F321 HydrophobicContact CG-CE2 3.98Å; F234-F321 HydrophobicContact CG-CG 4.38Å; F234-F321 HydrophobicContact CZ-CB 4.38Å; F234-I322 HydrophobicContact CE2-CD1 3.7Å; F234-I322 HydrophobicContact CE2-CG1 4.15Å; F234-I322 HydrophobicContact CZ-CD1 4.02Å; F234-I322 HydrophobicContact CZ-CG1 4.37Å
235N96.2Very high91.3Very high21 Ų2128.9 Ų28.911%0.11217%0.169CC..Hα-helixtrans-50.1-44.8-169.3-79.5-36.7000113.8Y67 S233 D239 K276Y67-N235 HydrophobicContact CE1-CB 3.85Å; S233-N235 PolarHBondContact OG-ND2 3.36Å; N235-D239 WeakPolarHBondContact O-CB 3.26Å; N235-D239 PolarHBondContact O-N 2.92Å; N235-K276 PolarHBondContact O-NZ 2.8Å; N235-K276 VanDerWaalsContact O-NZ 3.07Å
236Q95.9Very high93.1Very high46 Ų4623.3 Ų23.322%0.21514%0.142CC..Hα-helixtrans-71.2-48.9-178.8-60.9-170.387.900111.9E206 F234 E238 D239 I240E206-Q236 HydrophobicContact CG-CB 3.74Å; E206-Q236 WeakPolarHBondContact OE1-CB 3.33Å; E206-Q236 PolarHBondContact OE1-NE2 3.04Å; E206-Q236 PolarHBondContact OE1-OE1 2.76Å; F234-Q236 VanDerWaalsContact C-N 3.27Å; F234-Q236 PolarHBondContact O-N 3.38Å; F234-Q236 VanDerWaalsContact O-N 3.1Å; Q236-E238 VanDerWaalsContact C-N 3.28Å; Q236-E238 PolarHBondContact O-N 3.22Å; Q236-D239 PolarHBondContact O-N 3.49Å; Q236-I240 WeakPolarHBondContact O-CG1 3.33Å; Q236-I240 PolarHBondContact O-N 3.31Å
237A97.9Very high94.7Very high1 Ų121.4 Ų21.41%0.00813%0.133CC..Hα-helixtrans-52.7-44.417300000112.5W180 V203 F234 I240 M241 F321W180-A237 HydrophobicContact CH2-CB 4.44Å; W180-A237 HydrophobicContact CZ3-CB 4.41Å; V203-A237 HydrophobicContact CG1-CB 3.92Å; F234-A237 HydrophobicContact CB-CB 4.32Å; F234-A237 WeakPolarHBondContact O-CB 3.43Å; F234-A237 PolarHBondContact O-N 3.18Å; F234-A237 VanDerWaalsContact O-N 3.17Å; A237-I240 PolarHBondContact O-N 2.88Å; A237-M241 PolarHBondContact O-N 3.22Å; A237-F321 HydrophobicContact CB-CE2 4.39Å; A237-F321 HydrophobicContact CB-CZ 4.48Å
238E98.3Very high96Very high0 Ų027.1 Ų27.10%015%0.152CC..Hα-helixtrans-67.4-36.7175.4-63.6164.5174.600113F234 Q236 I240 M241 L242 Y273 K276 L280 F321F234-E238 HydrophobicContact CB-CG 4.1Å; F234-E238 WeakPolarHBondContact O-CB 3.3Å; F234-E238 VanDerWaalsContact O-CG 3.23Å; F234-E238 WeakPolarHBondContact O-CG 3.32Å; F234-E238 PolarHBondContact O-N 3.16Å; Q236-E238 VanDerWaalsContact C-N 3.28Å; Q236-E238 PolarHBondContact O-N 3.22Å; E238-I240 VanDerWaalsContact C-N 3.31Å; E238-I240 PolarHBondContact O-N 3.17Å; E238-M241 HydrophobicContact CB-CE 4.34Å; E238-M241 HydrophobicContact CG-CE 4.24Å; E238-M241 PolarHBondContact O-N 3.4Å; E238-L242 WeakPolarHBondContact O-CG 3.42Å; E238-L242 PolarHBondContact O-N 2.95Å; E238-L242 VanDerWaalsContact O-N 3.12Å; E238-Y273 WeakPolarHBondContact OE1-CE2 3.47Å; E238-Y273 PolarHBondContact OE1-OH 2.8Å; E238-Y273 WeakPolarHBondContact OE2-CE2 3.37Å; E238-K276 HydrophobicContact CB-CD 4.36Å; E238-K276 VanDerWaalsContact CB-CE 3.49Å; E238-K276 VanDerWaalsContact CB-NZ 3.26Å; E238-K276 WeakPolarHBondContact OE2-CD 3.39Å; E238-K276 VanDerWaalsContact OE2-CE 3.3Å; E238-K276 WeakPolarHBondContact OE2-CE 3.26Å; E238-K276 IonicContact OE2-NZ 3.49Å; E238-K276 PolarHBondContact OE2-NZ 3.49Å; E238-L280 HydrophobicContact CB-CD1 4.33Å; E238-L280 HydrophobicContact CG-CD1 3.98Å; E238-F321 HydrophobicContact CG-CD2 4.44Å; E238-F321 HydrophobicContact CG-CE2 3.8Å
239D96.8Very high96.7Very high61 Ų6127.1 Ų27.133%0.32615%0.15SC..Hα-helixtrans-68.8-31.5178.7-77.3-9.8000112.3N235 Q236 S243 R248 K276N235-D239 WeakPolarHBondContact O-CB 3.26Å; N235-D239 PolarHBondContact O-N 2.92Å; Q236-D239 PolarHBondContact O-N 3.49Å; D239-S243 PolarHBondContact O-N 2.91Å; D239-R248 PolarHBondContact O-NH2 3.41Å; D239-K276 WeakPolarHBondContact OD1-CE 3.46Å; D239-K276 IonicContact OD1-NZ 3.87Å; D239-K276 PolarHBondContact OD1-NZ 3.04Å
240I97.8Very high96.9Very high27 Ų2727 Ų2714%0.13815%0.15CC..Hα-helixtrans-63.1-49.7170.5-70.1168.4000109.9L199 E202 V203 E206 Q236 A237 E238 L242 S243L199-I240 HydrophobicContact CD1-CG2 3.57Å; E202-I240 HydrophobicContact CG-CD1 4.4Å; E202-I240 HydrophobicContact CG-CG2 3.96Å; V203-I240 HydrophobicContact CG2-CB 4.43Å; V203-I240 HydrophobicContact CG2-CG2 3.95Å; E206-I240 HydrophobicContact CB-CD1 3.66Å; E206-I240 HydrophobicContact CG-CD1 3.69Å; Q236-I240 WeakPolarHBondContact O-CG1 3.33Å; Q236-I240 PolarHBondContact O-N 3.31Å; A237-I240 PolarHBondContact O-N 2.88Å; E238-I240 VanDerWaalsContact C-N 3.31Å; E238-I240 PolarHBondContact O-N 3.17Å; I240-L242 PolarHBondContact O-N 3.36Å; I240-S243 WeakPolarHBondContact O-CB 3.27Å; I240-S243 PolarHBondContact O-N 3.1Å; I240-S243 VanDerWaalsContact O-N 3.1Å; I240-S243 PolarHBondContact O-OG 3.4Å
241M97.6Very high97.1Very high1 Ų127.6 Ų27.61%0.00515%0.153CC..Hα-helixtrans-60.4-31.7178.7-71.2-169.3-65.600113.7W187 W194 V203 A237 E238 S243 L280 Y320 F321W187-M241 HydrophobicContact CH2-SD 4.07Å; W187-M241 HydrophobicContact CZ2-SD 3.57Å; W187-M241 VanDerWaalsContact CZ2-SD 3.57Å; W194-M241 HydrophobicContact CH2-CB 4.03Å; W194-M241 HydrophobicContact CH2-CG 4.46Å; W194-M241 HydrophobicContact CH2-SD 4.24Å; W194-M241 HydrophobicContact CZ2-CB 4.37Å; V203-M241 HydrophobicContact CG2-CG 3.47Å; V203-M241 VanDerWaalsContact CG2-CG 3.47Å; V203-M241 HydrophobicContact CG2-SD 4.35Å; A237-M241 PolarHBondContact O-N 3.22Å; E238-M241 HydrophobicContact CB-CE 4.34Å; E238-M241 HydrophobicContact CG-CE 4.24Å; E238-M241 PolarHBondContact O-N 3.4Å; M241-S243 VanDerWaalsContact C-N 3.33Å; M241-L280 HydrophobicContact CB-CD2 3.92Å; M241-L280 HydrophobicContact CE-CD1 3.86Å; M241-L280 HydrophobicContact CE-CD2 3.57Å; M241-L280 HydrophobicContact CE-CG 4.35Å; M241-L280 HydrophobicContact SD-CD2 4.23Å; M241-Y320 HydrophobicContact CE-CD1 3.99Å; M241-Y320 HydrophobicContact CE-CE1 3.65Å; M241-Y320 HydrophobicContact SD-CE1 3.83Å; M241-F321 HydrophobicContact CE-CE1 3.92Å; M241-F321 HydrophobicContact CE-CE2 3.63Å; M241-F321 HydrophobicContact CE-CZ 3.12Å; M241-F321 HydrophobicContact SD-CE1 4.25Å; M241-F321 HydrophobicContact SD-CZ 3.89Å
242L97.8Very high97.2Very high1 Ų126.4 Ų26.41%0.00515%0.147CC..THydrogen-bonded Turntrans-89.16.4-179.7-62179.7000113.7E238 I240 R247 R248 L251 K276 I279 L280E238-L242 WeakPolarHBondContact O-CG 3.42Å; E238-L242 PolarHBondContact O-N 2.95Å; E238-L242 VanDerWaalsContact O-N 3.12Å; I240-L242 PolarHBondContact O-N 3.36Å; L242-R247 HydrophobicContact CB-CB 4.36Å; L242-R247 HydrophobicContact CD2-CB 4.17Å; L242-R248 HydrophobicContact CB-CG 4.4Å; L242-R248 VanDerWaalsContact O-CG 3.27Å; L242-R248 WeakPolarHBondContact O-CG 3.45Å; L242-L251 HydrophobicContact CD1-CD2 4.02Å; L242-K276 HydrophobicContact CD1-CD 4.37Å; L242-K276 HydrophobicContact CD1-CG 3.63Å; L242-I279 HydrophobicContact CD2-CB 4.43Å; L242-I279 HydrophobicContact CD2-CG2 3.55Å; L242-L280 HydrophobicContact CD2-CD2 3.63Å; L242-L280 HydrophobicContact CD2-CG 4.3Å; L242-L280 HydrophobicContact CG-CD2 3.97Å
243S96Very high97.2Very high57 Ų5726 Ų2640%0.39914%0.144SC..  trans-71.2-29-172.364.50000114.6D239 I240 M241D239-S243 PolarHBondContact O-N 2.91Å; I240-S243 WeakPolarHBondContact O-CB 3.27Å; I240-S243 PolarHBondContact O-N 3.1Å; I240-S243 VanDerWaalsContact O-N 3.1Å; I240-S243 PolarHBondContact O-OG 3.4Å; M241-S243 VanDerWaalsContact C-N 3.33Å
244M94Very high97.3Very high78 Ų7825.6 Ų25.638%0.38414%0.141SC..SBendtrans-94.6151-173.5-61.9-163.1-58.100113.6L199 R247 E289L199-M244 HydrophobicContact CD2-CE 4.34Å; M244-R247 WeakPolarHBondContact O-CB 3.46Å; M244-R247 WeakPolarHBondContact O-CD 3.49Å; M244-R247 WeakPolarHBondContact O-CG 3.49Å; M244-R247 PolarHBondContact O-NH1 3.28Å; M244-E289 HydrophobicContact CE-CG 4.28Å; M244-E289 WeakPolarHBondContact CE-OE1 3.42Å
245G94.6Very high97.3Very high56 Ų5627.7 Ų27.758%0.57715%0.15SC*.THydrogen-bonded Turntrans61.9-152.3178.400000113.3R247 W292G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 2.87Å; G245-W292 CarbonylContact C-O 3.5Å; G245-W292 WeakPolarHBondContact CA-O 3.36Å
246C96.7Very high97.4Very high2 Ų226.8 Ų26.81%0.01415%0.146CC..THydrogen-bonded Turntrans-83.97.5-179.874.90000113.4R248 K249 C250 W292 D293 L297C246-R248 PolarHBondContact O-N 3.39Å; C246-K249 HydrophobicContact CB-CB 4.47Å; C246-K249 CarbonylContact O-C 3.55Å; C246-K249 WeakPolarHBondContact O-CA 3.39Å; C246-K249 VanDerWaalsContact O-CB 3.31Å; C246-K249 WeakPolarHBondContact O-CB 3.39Å; C246-K249 PolarHBondContact O-N 3.43Å; C246-C250 WeakPolarHBondContact O-CB 3.42Å; C246-C250 PolarHBondContact O-N 2.77Å; C246-W292 PolarHBondContact N-O 2.96Å; C246-W292 PolarHBondContact SG-O 3.26Å; C246-D293 PolarHBondContact SG-O 3.4Å; C246-L297 HydrophobicContact CB-CD1 4.18Å
247R98.1Very high97.4Very high0 Ų024.7 Ų24.70%014%0.136CC..Hα-helixtrans-53.1-51.4-175.4-69.9177.2-175.698.3-11113.4L242 M244 G245 K249 C250 L251 C283 E289 W292L242-R247 HydrophobicContact CB-CB 4.36Å; L242-R247 HydrophobicContact CD2-CB 4.17Å; M244-R247 WeakPolarHBondContact O-CB 3.46Å; M244-R247 WeakPolarHBondContact O-CD 3.49Å; M244-R247 WeakPolarHBondContact O-CG 3.49Å; M244-R247 PolarHBondContact O-NH1 3.28Å; G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 2.87Å; R247-K249 VanDerWaalsContact C-N 3.33Å; R247-K249 PolarHBondContact O-N 3.34Å; R247-C250 WeakPolarHBondContact O-CB 3.23Å; R247-C250 PolarHBondContact O-N 2.86Å; R247-L251 PolarHBondContact O-N 2.99Å; R247-C283 PolarHBondContact NE-SG 2.74Å; R247-E289 IonicContact CZ-OE1 3.61Å; R247-E289 IonicContact CZ-OE2 2.77Å; R247-E289 IonicContact NH1-OE1 3.51Å; R247-E289 IonicContact NH1-OE2 3.34Å; R247-E289 PolarHBondContact NH1-OE2 3.12Å; R247-E289 IonicContact NH2-OE1 2.82Å; R247-E289 PolarHBondContact NH2-OE1 2.84Å; R247-E289 IonicContact NH2-OE2 2.82Å; R247-E289 PolarHBondContact NH2-OE2 3.27Å; R247-W292 HydrophobicContact CB-CE3 4.21Å; R247-W292 HydrophobicContact CB-CZ3 4.45Å; R247-W292 HydrophobicContact CG-CB 4.41Å; R247-W292 HydrophobicContact CG-CD2 3.53Å; R247-W292 HydrophobicContact CG-CE3 3.3Å; R247-W292 HydrophobicContact CG-CG 4.02Å; R247-W292 HydrophobicContact CG-CH2 4.45Å; R247-W292 HydrophobicContact CG-CZ3 3.79Å; R247-W292 VanDerWaalsContact NH2-CD1 3.33Å
248R97.6Very high97.4Very high129 Ų12925 Ų2549%0.48714%0.137SC..Hα-helixtrans-64-34.7174.9-87.3163.9-176.2-166.14.9113.2D239 L242 C246 A252D239-R248 PolarHBondContact O-NH2 3.41Å; L242-R248 HydrophobicContact CB-CG 4.4Å; L242-R248 VanDerWaalsContact O-CG 3.27Å; L242-R248 WeakPolarHBondContact O-CG 3.45Å; C246-R248 PolarHBondContact O-N 3.39Å; R248-A252 WeakPolarHBondContact O-CB 3.47Å; R248-A252 PolarHBondContact O-N 3.44Å
249K97.7Very high97.3Very high31 Ų3126.1 Ų26.114%0.13514%0.143CC..Hα-helixtrans-67.9-45.3177-171.6176.6179.4-177.40110.6N13 Y16 C246 R247 L251 A252 I253 E294 L297N13-K249 PolarHBondContact OD1-NZ 3.06Å; Y16-K249 HydrophobicContact CD2-CD 4.43Å; Y16-K249 HydrophobicContact CD2-CG 3.68Å; Y16-K249 HydrophobicContact CE2-CB 4.42Å; Y16-K249 HydrophobicContact CE2-CD 4.49Å; Y16-K249 HydrophobicContact CE2-CG 3.59Å; Y16-K249 HydrophobicContact CG-CG 4.41Å; C246-K249 HydrophobicContact CB-CB 4.47Å; C246-K249 CarbonylContact O-C 3.55Å; C246-K249 WeakPolarHBondContact O-CA 3.39Å; C246-K249 VanDerWaalsContact O-CB 3.31Å; C246-K249 WeakPolarHBondContact O-CB 3.39Å; C246-K249 PolarHBondContact O-N 3.43Å; R247-K249 VanDerWaalsContact C-N 3.33Å; R247-K249 PolarHBondContact O-N 3.34Å; K249-L251 PolarHBondContact O-N 2.82Å; K249-A252 PolarHBondContact O-N 2.89Å; K249-I253 HydrophobicContact CG-CD1 4.29Å; K249-I253 WeakPolarHBondContact O-CG1 3.43Å; K249-I253 PolarHBondContact O-N 3.49Å; K249-E294 WeakPolarHBondContact CD-OE1 3.48Å; K249-E294 IonicContact NZ-OE1 3.45Å; K249-E294 PolarHBondContact NZ-OE1 2.94Å; K249-E294 IonicContact NZ-OE2 2.65Å; K249-E294 PolarHBondContact NZ-OE2 3.25Å; K249-L297 HydrophobicContact CD-CD2 3.9Å; K249-L297 HydrophobicContact CG-CD2 4.23Å
250C98.3Very high97.2Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-55.2-50.2172.2-173.10000111C246 R247 A252 I253 L254 L297C246-C250 WeakPolarHBondContact O-CB 3.42Å; C246-C250 PolarHBondContact O-N 2.77Å; R247-C250 WeakPolarHBondContact O-CB 3.23Å; R247-C250 PolarHBondContact O-N 2.86Å; C250-A252 VanDerWaalsContact C-N 3.32Å; C250-A252 PolarHBondContact O-N 2.77Å; C250-I253 PolarHBondContact O-N 3.07Å; C250-L254 WeakPolarHBondContact O-CB 3.35Å; C250-L254 WeakPolarHBondContact O-CG 3.45Å; C250-L254 PolarHBondContact O-N 3.03Å; C250-L297 HydrophobicContact CB-CD1 3.7Å
251L98.6Very high97Very high13 Ų1329.4 Ų29.47%0.06815%0.149CC..Hα-helixtrans-59.1-41.7176.3-175.955.5000112.7L242 R247 K249 L254 K255 L275 K276 I279L242-L251 HydrophobicContact CD1-CD2 4.02Å; R247-L251 PolarHBondContact O-N 2.99Å; K249-L251 PolarHBondContact O-N 2.82Å; L251-L254 PolarHBondContact O-N 2.87Å; L251-K255 HydrophobicContact CD1-CD 4.32Å; L251-K255 HydrophobicContact CD1-CG 4.14Å; L251-K255 HydrophobicContact CG-CD 4.27Å; L251-K255 HydrophobicContact CG-CG 4.47Å; L251-K255 WeakPolarHBondContact O-CB 3.41Å; L251-K255 WeakPolarHBondContact O-CG 3.37Å; L251-K255 PolarHBondContact O-N 2.89Å; L251-L275 HydrophobicContact CD1-CB 4.15Å; L251-K276 HydrophobicContact CD1-CB 4.13Å; L251-K276 HydrophobicContact CD2-CB 4.25Å; L251-K276 HydrophobicContact CD2-CG 3.94Å; L251-I279 HydrophobicContact CB-CD1 3.43Å; L251-I279 VanDerWaalsContact CB-CD1 3.43Å; L251-I279 HydrophobicContact CD1-CD1 3.67Å; L251-I279 HydrophobicContact CG-CD1 4.08Å
252A98.3Very high96.9Very high8 Ų829.7 Ų29.77%0.06615%0.151CC..Hα-helixtrans-66.7-38.4-179.900000112.4Y16 V20 R248 K249 C250 T256Y16-A252 HydrophobicContact CE2-CB 4.19Å; V20-A252 HydrophobicContact CG1-CB 3.64Å; R248-A252 WeakPolarHBondContact O-CB 3.47Å; R248-A252 PolarHBondContact O-N 3.44Å; K249-A252 PolarHBondContact O-N 2.89Å; C250-A252 VanDerWaalsContact C-N 3.32Å; C250-A252 PolarHBondContact O-N 2.77Å; A252-T256 WeakPolarHBondContact O-CB 3.47Å; A252-T256 PolarHBondContact O-N 3.03Å; A252-T256 VanDerWaalsContact O-N 3.14Å; A252-T256 PolarHBondContact O-OG1 3.39Å
253I98Very high96.8Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-64.4-50.8173.8-68.3166.7000110L12 F15 Y16 V20 K249 C250 K255 T256 L257 L297 I301L12-I253 HydrophobicContact CD2-CD1 4.4Å; L12-I253 HydrophobicContact CD2-CG2 4.49Å; F15-I253 HydrophobicContact CD1-CG1 4.47Å; F15-I253 HydrophobicContact CD1-CG2 4.1Å; F15-I253 HydrophobicContact CE1-CG2 3.99Å; Y16-I253 HydrophobicContact CD2-CD1 4.28Å; Y16-I253 HydrophobicContact CD2-CG1 3.96Å; V20-I253 HydrophobicContact CG2-CG1 3.95Å; K249-I253 HydrophobicContact CG-CD1 4.29Å; K249-I253 WeakPolarHBondContact O-CG1 3.43Å; K249-I253 PolarHBondContact O-N 3.49Å; C250-I253 PolarHBondContact O-N 3.07Å; I253-K255 PolarHBondContact O-N 3.49Å; I253-T256 WeakPolarHBondContact O-CA 3.3Å; I253-T256 WeakPolarHBondContact O-CB 3.09Å; I253-T256 PolarHBondContact O-N 3.31Å; I253-L257 HydrophobicContact CG2-CD1 3.91Å; I253-L257 HydrophobicContact CG2-CG 4.33Å; I253-L257 WeakPolarHBondContact O-CG 3.3Å; I253-L257 PolarHBondContact O-N 2.99Å; I253-L297 HydrophobicContact CD1-CD1 4.4Å; I253-L297 HydrophobicContact CD1-CD2 3.91Å; I253-L297 HydrophobicContact CD1-CG 4.44Å; I253-I301 HydrophobicContact CB-CD1 4.2Å; I253-I301 HydrophobicContact CD1-CD1 3.91Å; I253-I301 HydrophobicContact CG2-CD1 3.76Å
254L98.4Very high96.3Very high3 Ų331.9 Ų31.92%0.01616%0.162CC..Hα-helixtrans-59.9-42.3-179.8-72.1165.4000112.6C250 L251 T256 L257 R258 L275 I279 I301 V304 L305C250-L254 WeakPolarHBondContact O-CB 3.35Å; C250-L254 WeakPolarHBondContact O-CG 3.45Å; C250-L254 PolarHBondContact O-N 3.03Å; L251-L254 PolarHBondContact O-N 2.87Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 3.45Å; L254-L257 PolarHBondContact O-N 3.46Å; L254-R258 WeakPolarHBondContact O-CB 3.49Å; L254-R258 PolarHBondContact O-N 3.38Å; L254-L275 HydrophobicContact CB-CD1 4.05Å; L254-L275 HydrophobicContact CB-CD2 4.41Å; L254-L275 WeakPolarHBondContact O-CD1 3.37Å; L254-I279 HydrophobicContact CD1-CD1 3.83Å; L254-I279 HydrophobicContact CD1-CG1 4.02Å; L254-I301 HydrophobicContact CD2-CG2 4.13Å; L254-V304 HydrophobicContact CD1-CB 4Å; L254-V304 HydrophobicContact CD1-CG1 3.59Å; L254-V304 HydrophobicContact CD1-CG2 4.33Å; L254-V304 HydrophobicContact CD2-CG1 4.36Å; L254-L305 HydrophobicContact CD2-CD2 3.86Å; L254-L305 HydrophobicContact CD2-CG 3.92Å
255K98.2Very high96Very high47 Ų4735.7 Ų35.720%0.20418%0.184CC..Hα-helixtrans-61.6-37.2173.8-76.9-177.2176.5-173.20112.2L251 I253 D259 L275L251-K255 HydrophobicContact CD1-CD 4.32Å; L251-K255 HydrophobicContact CD1-CG 4.14Å; L251-K255 HydrophobicContact CG-CD 4.27Å; L251-K255 HydrophobicContact CG-CG 4.47Å; L251-K255 WeakPolarHBondContact O-CB 3.41Å; L251-K255 WeakPolarHBondContact O-CG 3.37Å; L251-K255 PolarHBondContact O-N 2.89Å; I253-K255 PolarHBondContact O-N 3.49Å; K255-D259 PolarHBondContact O-N 3.34Å; K255-D259 VanDerWaalsContact O-N 3.1Å; K255-L275 HydrophobicContact CG-CD1 4.44Å
256T97.9Very high95.6Very high2 Ų235 Ų351%0.01218%0.178CC..Hα-helixtrans-70.9-42.1178.7-53.90000111.5F15 R19 V20 R23 A252 I253 L254 R258 D259 R260F15-T256 HydrophobicContact CE1-CG2 3.93Å; F15-T256 HydrophobicContact CZ-CG2 3.75Å; R19-T256 HydrophobicContact CB-CG2 4Å; V20-T256 HydrophobicContact CG2-CG2 4.2Å; V20-T256 WeakPolarHBondContact CG2-OG1 3.42Å; R23-T256 WeakPolarHBondContact CD-OG1 3.31Å; A252-T256 WeakPolarHBondContact O-CB 3.47Å; A252-T256 PolarHBondContact O-N 3.03Å; A252-T256 VanDerWaalsContact O-N 3.14Å; A252-T256 PolarHBondContact O-OG1 3.39Å; I253-T256 WeakPolarHBondContact O-CA 3.3Å; I253-T256 WeakPolarHBondContact O-CB 3.09Å; I253-T256 PolarHBondContact O-N 3.31Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 3.45Å; T256-R258 VanDerWaalsContact C-N 3.34Å; T256-D259 PolarHBondContact O-N 3.1Å; T256-R260 WeakPolarHBondContact O-CG 3.49Å; T256-R260 PolarHBondContact O-N 2.75Å
257L97.3Very high95.1Very high2 Ų238.1 Ų38.11%0.0121%0.21CC..Hα-helixtrans-62.2-41.8173.4-70.7171.7000111.5F15 I253 L254 R260 Y261 L346 L350 L357 L360F15-L257 HydrophobicContact CE1-CD2 4.28Å; F15-L257 HydrophobicContact CE1-CG 4.26Å; F15-L257 HydrophobicContact CE2-CD2 4.12Å; F15-L257 HydrophobicContact CZ-CD2 3.67Å; F15-L257 HydrophobicContact CZ-CG 4.04Å; I253-L257 HydrophobicContact CG2-CD1 3.91Å; I253-L257 HydrophobicContact CG2-CG 4.33Å; I253-L257 WeakPolarHBondContact O-CG 3.3Å; I253-L257 PolarHBondContact O-N 2.99Å; L254-L257 PolarHBondContact O-N 3.46Å; L257-R260 PolarHBondContact O-N 2.89Å; L257-Y261 HydrophobicContact CD2-CD2 4.44Å; L257-Y261 WeakPolarHBondContact O-CB 3.47Å; L257-Y261 PolarHBondContact O-N 3.36Å; L257-L346 HydrophobicContact CB-CD2 4.29Å; L257-L346 HydrophobicContact CD2-CD1 4.44Å; L257-L350 HydrophobicContact CD1-CD1 4.24Å; L257-L357 HydrophobicContact CD2-CD2 4.3Å; L257-L360 HydrophobicContact CD2-CB 4.43Å; L257-L360 HydrophobicContact CD2-CD1 4.46Å
258R97.7Very high94.9Very high8 Ų839 Ų393%0.0322%0.216CC..Iπ-helixtrans-56.2-56.3174.5177.2-15458.4167.5-7.3111.2L69 L254 T256 R260 Y261 L262 D263 I270 L275L69-R258 PolarHBondContact O-NH1 3.02Å; L69-R258 PolarHBondContact O-NH2 3.14Å; L254-R258 WeakPolarHBondContact O-CB 3.49Å; L254-R258 PolarHBondContact O-N 3.38Å; T256-R258 VanDerWaalsContact C-N 3.34Å; R258-R260 PolarHBondContact O-N 2.88Å; R258-R260 VanDerWaalsContact O-N 3.15Å; R258-Y261 PolarHBondContact O-N 3.41Å; R258-L262 HydrophobicContact CG-CB 4.31Å; R258-L262 CarbonylContact O-C 3.57Å; R258-L262 PolarHBondContact O-N 2.89Å; R258-D263 HydrophobicContact CG-CB 4.14Å; R258-D263 PolarHBondContact O-N 3.41Å; R258-I270 WeakPolarHBondContact CD-O 3.22Å; R258-I270 HydrophobicContact CG-CG2 4.38Å; R258-L275 HydrophobicContact CB-CD1 3.91Å
259D96.1Very high94.8Very high23 Ų2332.9 Ų32.912%0.12319%0.193CC..Iπ-helixtrans-60.1-30.1-173.8-65.5-7.8000112.6R23 P71 K255 T256R23-D259 IonicContact CZ-OD2 3.94Å; R23-D259 IonicContact NE-OD2 3.32Å; R23-D259 PolarHBondContact NE-OD2 3.38Å; R23-D259 IonicContact NH2-OD2 3.36Å; R23-D259 PolarHBondContact NH2-OD2 3.3Å; P71-D259 VanDerWaalsContact CD-OD2 3.31Å; P71-D259 WeakPolarHBondContact CD-OD2 3.3Å; P71-D259 HydrophobicContact CG-CB 4.13Å; P71-D259 WeakPolarHBondContact CG-OD2 3.34Å; K255-D259 PolarHBondContact O-N 3.34Å; K255-D259 VanDerWaalsContact O-N 3.1Å; T256-D259 PolarHBondContact O-N 3.1Å
260R94.8Very high94.8Very high99 Ų9931.5 Ų31.537%0.37419%0.187SC..Iπ-helixtrans-92.3-33.3-176.4-66.3172.961.272.4-1.8113.3T256 L257 R258 L360T256-R260 WeakPolarHBondContact O-CG 3.49Å; T256-R260 PolarHBondContact O-N 2.75Å; L257-R260 PolarHBondContact O-N 2.89Å; R258-R260 PolarHBondContact O-N 2.88Å; R258-R260 VanDerWaalsContact O-N 3.15Å; R260-L360 VanDerWaalsContact CZ-OXT 3.28Å; R260-L360 PolarHBondContact NE-OXT 2.93Å; R260-L360 VanDerWaalsContact NH2-C 3.26Å; R260-L360 PolarHBondContact NH2-O 3.47Å; R260-L360 PolarHBondContact NH2-OXT 3.01Å
261Y93.8Very high94.7Very high58 Ų5834.3 Ų34.323%0.22720%0.204CC..Iπ-helixtrans-127-25.8-168.1-64-81.7000115.5L257 R258 Q342 T359 L360L257-Y261 HydrophobicContact CD2-CD2 4.44Å; L257-Y261 WeakPolarHBondContact O-CB 3.47Å; L257-Y261 PolarHBondContact O-N 3.36Å; R258-Y261 PolarHBondContact O-N 3.41Å; Y261-Q342 PolarHBondContact O-NE2 3.47Å; Y261-T359 PolarHBondContact OH-O 2.77Å; Y261-L360 HydrophobicContact CD1-CD2 3.6Å; Y261-L360 HydrophobicContact CD2-CB 4.26Å; Y261-L360 HydrophobicContact CD2-CD2 4.2Å; Y261-L360 HydrophobicContact CE1-CB 4.24Å; Y261-L360 HydrophobicContact CE1-CD2 3.14Å; Y261-L360 HydrophobicContact CE1-CG 4.26Å; Y261-L360 HydrophobicContact CE2-CB 3.48Å; Y261-L360 VanDerWaalsContact CE2-CB 3.48Å; Y261-L360 HydrophobicContact CE2-CD2 3.87Å; Y261-L360 HydrophobicContact CE2-CG 4.26Å; Y261-L360 WeakPolarHBondContact CE2-OXT 3.02Å; Y261-L360 HydrophobicContact CG-CD2 4.1Å; Y261-L360 VanDerWaalsContact CZ-CB 3.45Å; Y261-L360 VanDerWaalsContact CZ-OXT 3.3Å; Y261-L360 WeakPolarHBondContact OH-CA 3.5Å; Y261-L360 WeakPolarHBondContact OH-CB 3.43Å; Y261-L360 PolarHBondContact OH-OXT 3.45Å
262L95.9Very high94.6Very high6 Ų634 Ų343%0.03120%0.204CC..Iπ-helixtrans-106.8-16.6-175.5-52179.4000112.4R258 S268 I270 L308 Q342 L346R258-L262 HydrophobicContact CG-CB 4.31Å; R258-L262 CarbonylContact O-C 3.57Å; R258-L262 PolarHBondContact O-N 2.89Å; L262-S268 VanDerWaalsContact O-CB 3.24Å; L262-S268 WeakPolarHBondContact O-CB 3.38Å; L262-S268 PolarHBondContact O-OG 3.43Å; L262-I270 HydrophobicContact CB-CD1 4.11Å; L262-I270 HydrophobicContact CD1-CD1 4.06Å; L262-I270 HydrophobicContact CD1-CG2 4.47Å; L262-L308 HydrophobicContact CD1-CD2 4.46Å; L262-Q342 HydrophobicContact CD2-CG 4.05Å; L262-L346 HydrophobicContact CD1-CD2 4.22Å; L262-L346 HydrophobicContact CD2-CB 4.45Å; L262-L346 HydrophobicContact CD2-CD2 3.89Å; L262-L346 HydrophobicContact CG-CD2 4.11Å
263D94.1Very high94.6Very high30 Ų3036.5 Ų36.516%0.1621%0.212CC..  trans-149.446.5-179.4-162.929.5000113.5R258 N265 G266 G267 S268R258-D263 HydrophobicContact CG-CB 4.14Å; R258-D263 PolarHBondContact O-N 3.41Å; D263-N265 PolarHBondContact O-N 3.23Å; D263-G266 PolarHBondContact O-N 3.43Å; D263-G266 WeakPolarHBondContact OD1-CA 3.45Å; D263-G266 PolarHBondContact OD1-N 2.67Å; D263-G267 PolarHBondContact OD1-N 3.1Å; D263-S268 VanDerWaalsContact CB-CB 3.48Å; D263-S268 WeakPolarHBondContact OD1-CB 3.36Å; D263-S268 PolarHBondContact OD1-N 2.84Å
264P86.6Confident94.6Very high75 Ų7536.6 Ų36.649%0.48721%0.213SC..THydrogen-bonded Turntrans-64-25.1-174.326.8-35.4000114
265N87.2Confident94.7Very high157 Ų15736.5 Ų36.584%0.8421%0.212SC*.THydrogen-bonded Turntrans-113.55.6-176.2-60.6-37.2000113.1D263D263-N265 PolarHBondContact O-N 3.23Å
266G86Confident94.7Very high43 Ų4334.8 Ų34.844%0.44321%0.205SC..SBendtrans74167.2-167.800000113D263D263-G266 PolarHBondContact O-N 3.43Å; D263-G266 WeakPolarHBondContact OD1-CA 3.45Å; D263-G266 PolarHBondContact OD1-N 2.67Å
267G86.5Confident94.7Very high67 Ų6734.7 Ų34.769%0.69120%0.204SC*.  trans92.4-4.317600000115.3D263D263-G267 PolarHBondContact OD1-N 3.1Å
268S93.5Very high94.8Very high18 Ų1834.7 Ų34.713%0.12620%0.204CC..  trans-63.9144.2172.7-168.70000111.6L262 D263 I270L262-S268 VanDerWaalsContact O-CB 3.24Å; L262-S268 WeakPolarHBondContact O-CB 3.38Å; L262-S268 PolarHBondContact O-OG 3.43Å; D263-S268 VanDerWaalsContact CB-CB 3.48Å; D263-S268 WeakPolarHBondContact OD1-CB 3.36Å; D263-S268 PolarHBondContact OD1-N 2.84Å; S268-I270 PolarHBondContact O-N 3.23Å; S268-I270 PolarHBondContact OG-N 3.13Å
269P95.6Very high94.8Very high1 Ų134.3 Ų34.31%0.00620%0.203CC..SBendtrans-74-13171.633.8-33.5000111.5T271 L312 L328 K331 I335 L336 S339P269-T271 PolarHBondContact O-N 3.45Å; P269-T271 VanDerWaalsContact O-N 3.14Å; P269-L312 HydrophobicContact CG-CD2 4.09Å; P269-L328 HydrophobicContact CB-CD2 4.19Å; P269-K331 HydrophobicContact CB-CB 4.31Å; P269-K331 HydrophobicContact CB-CD 4.24Å; P269-K331 HydrophobicContact CB-CG 3.92Å; P269-I335 HydrophobicContact CB-CG2 4.48Å; P269-I335 HydrophobicContact CG-CG2 3.89Å; P269-L336 HydrophobicContact CB-CD2 3.9Å; P269-L336 HydrophobicContact CG-CD2 3.92Å; P269-S339 WeakPolarHBondContact CD-OG 3.18Å; P269-S339 WeakPolarHBondContact CG-OG 3.42Å
270I97.8Very high95Very high2 Ų233.2 Ų33.21%0.0120%0.197CC..  trans-83.989.4-176.2-53.6168.4000108.7R258 L262 S268 L275 L308 L312 T343R258-I270 WeakPolarHBondContact CD-O 3.22Å; R258-I270 HydrophobicContact CG-CG2 4.38Å; L262-I270 HydrophobicContact CB-CD1 4.11Å; L262-I270 HydrophobicContact CD1-CD1 4.06Å; L262-I270 HydrophobicContact CD1-CG2 4.47Å; S268-I270 PolarHBondContact O-N 3.23Å; S268-I270 PolarHBondContact OG-N 3.13Å; I270-L275 HydrophobicContact CG2-CD2 4.11Å; I270-L275 HydrophobicContact CG2-CG 4.24Å; I270-L308 HydrophobicContact CD1-CD2 4.15Å; I270-L308 HydrophobicContact CG1-CD1 4.29Å; I270-L308 HydrophobicContact CG1-CD2 4.46Å; I270-L308 HydrophobicContact CG2-CD1 4.24Å; I270-L308 HydrophobicContact CG2-CD2 3.81Å; I270-L312 HydrophobicContact CD1-CD1 3.9Å; I270-L312 HydrophobicContact CG1-CD1 4.15Å; I270-L312 HydrophobicContact CG1-CD2 4.24Å; I270-T343 WeakPolarHBondContact CD1-OG1 3.17Å
271T96.6Very high95.1Very high58 Ų5830.7 Ų30.736%0.35619%0.188SC..  trans-84.3164.1175.971.70000111.7P269 Y273 V274 L275P269-T271 PolarHBondContact O-N 3.45Å; P269-T271 VanDerWaalsContact O-N 3.14Å; T271-Y273 PolarHBondContact O-N 3.43Å; T271-Y273 PolarHBondContact OG1-N 3.28Å; T271-V274 PolarHBondContact O-N 3.1Å; T271-V274 PolarHBondContact OG1-N 3.24Å; T271-V274 VanDerWaalsContact OG1-N 3.12Å; T271-L275 PolarHBondContact O-N 3.07Å; T271-L275 VanDerWaalsContact O-N 3.14Å
272G97.1Very high95.3Very high7 Ų728.2 Ų28.27%0.07218%0.178CC..Hα-helixtrans-61.9-21.7171.500000112.5K276G272-K276 WeakPolarHBondContact O-CB 3.18Å; G272-K276 PolarHBondContact O-N 3.03Å
273Y97.9Very high95.4Very high61 Ų6127.9 Ų27.924%0.23918%0.177CC..Hα-helixtrans-78.5-38.4175.2-168.7-109000112.4E238 T271 L275 K276 T277 H319 L327E238-Y273 WeakPolarHBondContact OE1-CE2 3.47Å; E238-Y273 PolarHBondContact OE1-OH 2.8Å; E238-Y273 WeakPolarHBondContact OE2-CE2 3.37Å; T271-Y273 PolarHBondContact O-N 3.43Å; T271-Y273 PolarHBondContact OG1-N 3.28Å; Y273-L275 VanDerWaalsContact C-N 3.31Å; Y273-L275 PolarHBondContact O-N 3.45Å; Y273-K276 PolarHBondContact O-N 3.33Å; Y273-T277 WeakPolarHBondContact O-CB 3.3Å; Y273-T277 PolarHBondContact O-N 3.42Å; Y273-T277 PolarHBondContact O-OG1 3.29Å; Y273-H319 AromaticContact CE1-CD2 3.94Å; Y273-H319 AromaticContact CZ-NE2 3.97Å; Y273-H319 PolarHBondContact OH-CD2 3.32Å; Y273-H319 PolarHBondContact OH-NE2 3.37Å; Y273-L327 HydrophobicContact CD1-CD1 4.04Å; Y273-L327 HydrophobicContact CD1-CD2 4.13Å; Y273-L327 HydrophobicContact CE1-CD1 4.08Å; Y273-L327 HydrophobicContact CE1-CD2 3.86Å
274V98.4Very high95.5Very high2 Ų228.4 Ų28.41%0.01218%0.178CC..Hα-helixtrans-57.2-47.5168.8170.30000109.8T271 K276 T277 L278 L308 L327T271-V274 PolarHBondContact O-N 3.1Å; T271-V274 PolarHBondContact OG1-N 3.24Å; T271-V274 VanDerWaalsContact OG1-N 3.12Å; V274-K276 PolarHBondContact O-N 2.97Å; V274-T277 WeakPolarHBondContact O-CB 3.44Å; V274-T277 PolarHBondContact O-N 3.19Å; V274-L278 HydrophobicContact CG1-CD1 4.25Å; V274-L278 HydrophobicContact CG1-CG 4.48Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.22Å; V274-L308 HydrophobicContact CG1-CD1 3.88Å; V274-L327 HydrophobicContact CG2-CB 4.15Å; V274-L327 HydrophobicContact CG2-CD1 4.41Å
275L98.8Very high96Very high1 Ų129.8 Ų29.81%0.00518%0.176CC..Hα-helixtrans-61.8-41.6177.3-64.1174.5000112.7L251 L254 K255 R258 I270 T271 Y273 L278 I279 L308L251-L275 HydrophobicContact CD1-CB 4.15Å; L254-L275 HydrophobicContact CB-CD1 4.05Å; L254-L275 HydrophobicContact CB-CD2 4.41Å; L254-L275 WeakPolarHBondContact O-CD1 3.37Å; K255-L275 HydrophobicContact CG-CD1 4.44Å; R258-L275 HydrophobicContact CB-CD1 3.91Å; I270-L275 HydrophobicContact CG2-CD2 4.11Å; I270-L275 HydrophobicContact CG2-CG 4.24Å; T271-L275 PolarHBondContact O-N 3.07Å; T271-L275 VanDerWaalsContact O-N 3.14Å; Y273-L275 VanDerWaalsContact C-N 3.31Å; Y273-L275 PolarHBondContact O-N 3.45Å; L275-L278 PolarHBondContact O-N 3.44Å; L275-I279 WeakPolarHBondContact O-CG1 3.29Å; L275-I279 PolarHBondContact O-N 2.98Å; L275-I279 VanDerWaalsContact O-N 3.12Å; L275-L308 HydrophobicContact CD2-CD2 3.92Å
276K98.7Very high96.5Very high10 Ų1024.2 Ų24.24%0.04315%0.145CC..Hα-helixtrans-60.8-45.4175.9-166.7-176.6-170.7-165.90111.2N235 E238 D239 L242 L251 G272 Y273 V274 L278 I279 L280N235-K276 PolarHBondContact O-NZ 2.8Å; N235-K276 VanDerWaalsContact O-NZ 3.07Å; E238-K276 HydrophobicContact CB-CD 4.36Å; E238-K276 VanDerWaalsContact CB-CE 3.49Å; E238-K276 VanDerWaalsContact CB-NZ 3.26Å; E238-K276 WeakPolarHBondContact OE2-CD 3.39Å; E238-K276 VanDerWaalsContact OE2-CE 3.3Å; E238-K276 WeakPolarHBondContact OE2-CE 3.26Å; E238-K276 IonicContact OE2-NZ 3.49Å; E238-K276 PolarHBondContact OE2-NZ 3.49Å; D239-K276 WeakPolarHBondContact OD1-CE 3.46Å; D239-K276 IonicContact OD1-NZ 3.87Å; D239-K276 PolarHBondContact OD1-NZ 3.04Å; L242-K276 HydrophobicContact CD1-CD 4.37Å; L242-K276 HydrophobicContact CD1-CG 3.63Å; L251-K276 HydrophobicContact CD1-CB 4.13Å; L251-K276 HydrophobicContact CD2-CB 4.25Å; L251-K276 HydrophobicContact CD2-CG 3.94Å; G272-K276 WeakPolarHBondContact O-CB 3.18Å; G272-K276 PolarHBondContact O-N 3.03Å; Y273-K276 PolarHBondContact O-N 3.33Å; V274-K276 PolarHBondContact O-N 2.97Å; K276-L278 PolarHBondContact O-N 2.88Å; K276-I279 PolarHBondContact O-N 3.46Å; K276-L280 PolarHBondContact O-N 3.05Å
277T98.8Very high96.9Very high0 Ų023.3 Ų23.30%013%0.132CC..Hα-helixtrans-60.3-44.9177.4-62.90000111.7Y273 V274 I279 L280 Y281 P318 L327Y273-T277 WeakPolarHBondContact O-CB 3.3Å; Y273-T277 PolarHBondContact O-N 3.42Å; Y273-T277 PolarHBondContact O-OG1 3.29Å; V274-T277 WeakPolarHBondContact O-CB 3.44Å; V274-T277 PolarHBondContact O-N 3.19Å; T277-I279 VanDerWaalsContact C-N 3.31Å; T277-I279 PolarHBondContact O-N 3.32Å; T277-L280 WeakPolarHBondContact O-CB 3.32Å; T277-L280 PolarHBondContact O-N 3.41Å; T277-L280 VanDerWaalsContact O-N 3.16Å; T277-Y281 HydrophobicContact CG2-CD2 4.03Å; T277-Y281 HydrophobicContact CG2-CE2 3.75Å; T277-Y281 WeakPolarHBondContact O-CD2 3.47Å; T277-Y281 PolarHBondContact O-N 3.5Å; T277-P318 WeakPolarHBondContact CG2-O 3.42Å; T277-L327 HydrophobicContact CG2-CD1 3.81Å; T277-L327 VanDerWaalsContact OG1-CD1 3.31Å; T277-L327 WeakPolarHBondContact OG1-CD1 3.49Å
278L98.9Very high97.3Very high2 Ų225.5 Ų25.51%0.0112%0.124CC..Hα-helixtrans-67.2-31.2179.3-66.9-177.6000113.1V274 L275 K276 L280 Y281 E282 V304 Q307 L308V274-L278 HydrophobicContact CG1-CD1 4.25Å; V274-L278 HydrophobicContact CG1-CG 4.48Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.22Å; L275-L278 PolarHBondContact O-N 3.44Å; K276-L278 PolarHBondContact O-N 2.88Å; L278-L280 VanDerWaalsContact C-N 3.34Å; L278-Y281 PolarHBondContact O-N 3.25Å; L278-E282 WeakPolarHBondContact O-CB 3.34Å; L278-E282 PolarHBondContact O-N 3.28Å; L278-V304 HydrophobicContact CB-CG1 3.86Å; L278-V304 HydrophobicContact CD1-CG1 4.49Å; L278-Q307 HydrophobicContact CD2-CG 3.8Å; L278-L308 HydrophobicContact CD1-CB 3.56Å; L278-L308 HydrophobicContact CD1-CD1 3.75Å; L278-L308 HydrophobicContact CD1-CG 4.2Å
279I98.7Very high97.4Very high0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-66.1-38.4172.6-68.1171000111L242 L251 L254 L275 K276 T277 E282 C283 W292 V304L242-I279 HydrophobicContact CD2-CB 4.43Å; L242-I279 HydrophobicContact CD2-CG2 3.55Å; L251-I279 HydrophobicContact CB-CD1 3.43Å; L251-I279 VanDerWaalsContact CB-CD1 3.43Å; L251-I279 HydrophobicContact CD1-CD1 3.67Å; L251-I279 HydrophobicContact CG-CD1 4.08Å; L254-I279 HydrophobicContact CD1-CD1 3.83Å; L254-I279 HydrophobicContact CD1-CG1 4.02Å; L275-I279 WeakPolarHBondContact O-CG1 3.29Å; L275-I279 PolarHBondContact O-N 2.98Å; L275-I279 VanDerWaalsContact O-N 3.12Å; K276-I279 PolarHBondContact O-N 3.46Å; T277-I279 VanDerWaalsContact C-N 3.31Å; T277-I279 PolarHBondContact O-N 3.32Å; I279-E282 WeakPolarHBondContact O-CB 3.33Å; I279-E282 PolarHBondContact O-N 3.35Å; I279-E282 VanDerWaalsContact O-N 3.16Å; I279-C283 PolarHBondContact O-N 3.25Å; I279-C283 PolarHBondContact O-SG 3.32Å; I279-W292 HydrophobicContact CG2-CH2 3.92Å; I279-W292 HydrophobicContact CG2-CZ3 4.16Å; I279-V304 HydrophobicContact CG1-CG1 4.43Å; I279-V304 HydrophobicContact CG1-CG2 3.91Å
280L98.6Very high97.3Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-63-44.8177.1-66.4170.5000111.3W194 E238 M241 L242 K276 T277 L278 E282 C283 E284 Y320W194-L280 HydrophobicContact CH2-CD2 4.16Å; E238-L280 HydrophobicContact CB-CD1 4.33Å; E238-L280 HydrophobicContact CG-CD1 3.98Å; M241-L280 HydrophobicContact CB-CD2 3.92Å; M241-L280 HydrophobicContact CE-CD1 3.86Å; M241-L280 HydrophobicContact CE-CD2 3.57Å; M241-L280 HydrophobicContact CE-CG 4.35Å; M241-L280 HydrophobicContact SD-CD2 4.23Å; L242-L280 HydrophobicContact CD2-CD2 3.63Å; L242-L280 HydrophobicContact CD2-CG 4.3Å; L242-L280 HydrophobicContact CG-CD2 3.97Å; K276-L280 PolarHBondContact O-N 3.05Å; T277-L280 WeakPolarHBondContact O-CB 3.32Å; T277-L280 PolarHBondContact O-N 3.41Å; T277-L280 VanDerWaalsContact O-N 3.16Å; L278-L280 VanDerWaalsContact C-N 3.34Å; L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 3.41Å; L280-C283 WeakPolarHBondContact O-CB 3.37Å; L280-C283 PolarHBondContact O-N 3.41Å; L280-C283 VanDerWaalsContact O-N 3.12Å; L280-E284 PolarHBondContact O-N 3.2Å; L280-Y320 HydrophobicContact CB-CD1 4.1Å; L280-Y320 HydrophobicContact CB-CD2 3.49Å; L280-Y320 VanDerWaalsContact CB-CD2 3.49Å; L280-Y320 HydrophobicContact CB-CE1 4.23Å; L280-Y320 HydrophobicContact CB-CE2 3.65Å; L280-Y320 HydrophobicContact CB-CG 3.71Å; L280-Y320 HydrophobicContact CD1-CD1 3.73Å; L280-Y320 HydrophobicContact CD1-CD2 4.46Å; L280-Y320 HydrophobicContact CD1-CE1 4.3Å; L280-Y320 HydrophobicContact CD1-CG 3.8Å; L280-Y320 HydrophobicContact CG-CD1 4.42Å; L280-Y320 HydrophobicContact CG-CG 4.38Å
281Y98Very high97.3Very high46 Ų4634.8 Ų34.818%0.1818%0.175CC..Hα-helixtrans-63.5-35171.5-75.8-64.3000113.1T277 L278 C283 E284 K285 P318 H319 Y320T277-Y281 HydrophobicContact CG2-CD2 4.03Å; T277-Y281 HydrophobicContact CG2-CE2 3.75Å; T277-Y281 WeakPolarHBondContact O-CD2 3.47Å; T277-Y281 PolarHBondContact O-N 3.5Å; L278-Y281 PolarHBondContact O-N 3.25Å; Y281-C283 PolarHBondContact O-N 3.28Å; Y281-E284 PolarHBondContact O-N 3.14Å; Y281-K285 PolarHBondContact O-N 3.12Å; Y281-P318 HydrophobicContact CE2-CG 4.27Å; Y281-P318 WeakPolarHBondContact CE2-O 3.31Å; Y281-P318 PolarHBondContact OH-O 3.24Å; Y281-H319 PolarHBondContact OH-O 3.31Å; Y281-Y320 HydrophobicContact CD1-CD2 4.15Å; Y281-Y320 HydrophobicContact CD1-CE2 4.46Å; Y281-Y320 HydrophobicContact CD2-CD2 4.38Å; Y281-Y320 HydrophobicContact CE1-CD2 4.1Å; Y281-Y320 HydrophobicContact CE2-CD2 4.33Å; Y281-Y320 HydrophobicContact CG-CD2 4.3Å
282E98.2Very high97.3Very high6 Ų632 Ų323%0.02816%0.158CC..Hα-helixtrans-65.8-30.3175.2-162.866.3-168.900111.6L278 I279 L280 K285 H286 W292 R300 V304L278-E282 WeakPolarHBondContact O-CB 3.34Å; L278-E282 PolarHBondContact O-N 3.28Å; I279-E282 WeakPolarHBondContact O-CB 3.33Å; I279-E282 PolarHBondContact O-N 3.35Å; I279-E282 VanDerWaalsContact O-N 3.16Å; L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 3.41Å; E282-K285 PolarHBondContact O-N 2.92Å; E282-K285 IonicContact OE2-NZ 3.35Å; E282-K285 PolarHBondContact OE2-NZ 3.16Å; E282-H286 PolarHBondContact O-N 3.12Å; E282-H286 PolarHBondContact O-ND1 3.46Å; E282-H286 IonicContact OE1-CE1 2.77Å; E282-H286 PolarHBondContact OE1-CE1 3.32Å; E282-H286 IonicContact OE1-ND1 3.54Å; E282-H286 PolarHBondContact OE1-ND1 2.95Å; E282-W292 HydrophobicContact CB-CH2 4.06Å; E282-W292 HydrophobicContact CB-CZ2 4.15Å; E282-W292 HydrophobicContact CG-CH2 4.07Å; E282-W292 HydrophobicContact CG-CZ2 4.14Å; E282-R300 IonicContact OE1-CZ 3.33Å; E282-R300 IonicContact OE1-NH1 3.91Å; E282-R300 PolarHBondContact OE1-NH1 2.97Å; E282-V304 HydrophobicContact CB-CG2 3.88Å; E282-V304 HydrophobicContact CG-CG2 3.96Å
283C97.8Very high97.2Very high0 Ų034.9 Ų34.90%017%0.171CC..Hα-helixtrans-68.8-36.6174.5-63.70000111.9W194 R247 I279 L280 Y281 K285 H286 S287 W292W194-C283 HydrophobicContact CD2-CB 3.83Å; W194-C283 HydrophobicContact CE3-CB 3.61Å; W194-C283 HydrophobicContact CH2-CB 3.5Å; W194-C283 VanDerWaalsContact CH2-CB 3.5Å; W194-C283 HydrophobicContact CZ2-CB 3.73Å; W194-C283 HydrophobicContact CZ3-CB 3.42Å; W194-C283 VanDerWaalsContact CZ3-CB 3.42Å; R247-C283 PolarHBondContact NE-SG 2.74Å; I279-C283 PolarHBondContact O-N 3.25Å; I279-C283 PolarHBondContact O-SG 3.32Å; L280-C283 WeakPolarHBondContact O-CB 3.37Å; L280-C283 PolarHBondContact O-N 3.41Å; L280-C283 VanDerWaalsContact O-N 3.12Å; Y281-C283 PolarHBondContact O-N 3.28Å; C283-K285 VanDerWaalsContact C-N 3.32Å; C283-K285 PolarHBondContact O-N 3.42Å; C283-H286 CarbonylContact O-C 3.37Å; C283-H286 PolarHBondContact O-N 3.09Å; C283-S287 WeakPolarHBondContact O-CA 3.47Å; C283-S287 PolarHBondContact O-N 2.96Å; C283-W292 HydrophobicContact CB-CZ2 4.05Å; C283-W292 WeakPolarHBondContact SG-CZ2 3.37Å
284E96.5Very high96.9Very high40 Ų4036 Ų3619%0.18718%0.178CC..Hα-helixtrans-64.3-38.6173.6-67.8-174.8167.500111.8T192 W194 L280 Y281 H286 Y320T192-E284 HydrophobicContact CG2-CB 4.32Å; T192-E284 HydrophobicContact CG2-CG 4.26Å; W194-E284 HydrophobicContact CE3-CG 4.28Å; L280-E284 PolarHBondContact O-N 3.2Å; Y281-E284 PolarHBondContact O-N 3.14Å; E284-H286 VanDerWaalsContact C-N 3.35Å; E284-Y320 HydrophobicContact CG-CE2 4.12Å; E284-Y320 VanDerWaalsContact OE1-CE2 3.27Å; E284-Y320 WeakPolarHBondContact OE1-CE2 3.49Å; E284-Y320 PolarHBondContact OE1-OH 3.31Å
285K96.4Very high96.6Very high104 Ų10441.6 Ų41.645%0.45221%0.208SC..Hα-helixtrans-69.6-32.3176.6-64.7175.3-168.3168.30113Y281 E282 C283Y281-K285 PolarHBondContact O-N 3.12Å; E282-K285 PolarHBondContact O-N 2.92Å; E282-K285 IonicContact OE2-NZ 3.35Å; E282-K285 PolarHBondContact OE2-NZ 3.16Å; C283-K285 VanDerWaalsContact C-N 3.32Å; C283-K285 PolarHBondContact O-N 3.42Å
286H97Very high96.4Very high40 Ų4042.3 Ų42.319%0.18521%0.214CC..SBendtrans-125.173.8-176.1-58.183.9000108.6E282 C283 E284 Q288 E291 W292 R300E282-H286 PolarHBondContact O-N 3.12Å; E282-H286 PolarHBondContact O-ND1 3.46Å; E282-H286 IonicContact OE1-CE1 2.77Å; E282-H286 PolarHBondContact OE1-CE1 3.32Å; E282-H286 IonicContact OE1-ND1 3.54Å; E282-H286 PolarHBondContact OE1-ND1 2.95Å; C283-H286 CarbonylContact O-C 3.37Å; C283-H286 PolarHBondContact O-N 3.09Å; E284-H286 VanDerWaalsContact C-N 3.35Å; H286-Q288 VanDerWaalsContact C-N 3.32Å; H286-Q288 PolarHBondContact O-N 3.47Å; H286-E291 WeakPolarHBondContact CA-OE2 3.33Å; H286-E291 HydrophobicContact CB-CB 3.88Å; H286-E291 HydrophobicContact CB-CG 4.45Å; H286-E291 IonicContact CD2-OE1 3.37Å; H286-E291 PolarHBondContact CD2-OE1 3.45Å; H286-E291 IonicContact CG-OE1 2.76Å; H286-W292 PolarHBondContact O-NE1 3.22Å; H286-R300 PolarHBondContact CD2-NH1 2.91Å; H286-R300 PolarHBondContact CD2-NH2 2.81Å; H286-R300 PolarHBondContact CE1-NH1 3.22Å; H286-R300 VanDerWaalsContact CG-CZ 3.45Å; H286-R300 PolarHBondContact ND1-NH1 3.23Å; H286-R300 PolarHBondContact NE2-NH1 2.73Å; H286-R300 PolarHBondContact NE2-NH2 3.08Å
287S95.7Very high96.2Very high24 Ų2442 Ų4217%0.16821%0.213CC..  trans-72.2-20.8-16762.70000114.5S193 C283 E291S193-S287 WeakPolarHBondContact OG-CB 3.31Å; S193-S287 PolarHBondContact OG-OG 3.5Å; C283-S287 WeakPolarHBondContact O-CA 3.47Å; C283-S287 PolarHBondContact O-N 2.96Å; S287-E291 PolarHBondContact N-OE2 3.49Å; S287-E291 VanDerWaalsContact N-OE2 3.15Å
288Q95Very high96Very high113 Ų11342.4 Ų42.453%0.52822%0.217SC..SBendtrans-84.7141.2-174.8-59.1-63.3-26.300110.9H286 S290 E291H286-Q288 VanDerWaalsContact C-N 3.32Å; H286-Q288 PolarHBondContact O-N 3.47Å; Q288-S290 PolarHBondContact O-N 2.99Å; Q288-E291 HydrophobicContact CB-CG 4.08Å; Q288-E291 WeakPolarHBondContact CB-OE2 3.46Å; Q288-E291 PolarHBondContact N-OE2 2.82Å; Q288-E291 WeakPolarHBondContact O-CB 3.37Å; Q288-E291 PolarHBondContact O-N 3.01Å
289E94.5Very high95.9Very high75 Ų7545.4 Ų45.435%0.3523%0.233SC..G310 helixtrans-61.7-29.7178.5-67.2-53.9129.700112.9M244 R247 E291 W292M244-E289 HydrophobicContact CE-CG 4.28Å; M244-E289 WeakPolarHBondContact CE-OE1 3.42Å; R247-E289 IonicContact CZ-OE1 3.61Å; R247-E289 IonicContact CZ-OE2 2.77Å; R247-E289 IonicContact NH1-OE1 3.51Å; R247-E289 IonicContact NH1-OE2 3.34Å; R247-E289 PolarHBondContact NH1-OE2 3.12Å; R247-E289 IonicContact NH2-OE1 2.82Å; R247-E289 PolarHBondContact NH2-OE1 2.84Å; R247-E289 IonicContact NH2-OE2 2.82Å; R247-E289 PolarHBondContact NH2-OE2 3.27Å; E289-E291 PolarHBondContact O-N 3Å; E289-W292 CarbonylContact O-C 3.58Å; E289-W292 PolarHBondContact O-N 3.43Å; E289-W292 VanDerWaalsContact O-N 3.1Å
290S94.8Very high95.8Very high81 Ų8146.5 Ų46.557%0.56624%0.237SC*.G310 helixtrans-64.5-25.2173.7560000113.3Q288 W292 D293Q288-S290 PolarHBondContact O-N 2.99Å; S290-W292 PolarHBondContact O-N 3.34Å; S290-D293 VanDerWaalsContact O-CG 3.24Å; S290-D293 PolarHBondContact O-N 3.45Å
291E96.8Very high95.7Very high61 Ų6146.7 Ų46.729%0.28524%0.238SC..G310 helixtrans-78.1-6.1176.6-60.7177.1103.900112.7H286 S287 Q288 E289 A296 R300H286-E291 WeakPolarHBondContact CA-OE2 3.33Å; H286-E291 HydrophobicContact CB-CB 3.88Å; H286-E291 HydrophobicContact CB-CG 4.45Å; H286-E291 IonicContact CD2-OE1 3.37Å; H286-E291 PolarHBondContact CD2-OE1 3.45Å; H286-E291 IonicContact CG-OE1 2.76Å; S287-E291 PolarHBondContact N-OE2 3.49Å; S287-E291 VanDerWaalsContact N-OE2 3.15Å; Q288-E291 HydrophobicContact CB-CG 4.08Å; Q288-E291 WeakPolarHBondContact CB-OE2 3.46Å; Q288-E291 PolarHBondContact N-OE2 2.82Å; Q288-E291 WeakPolarHBondContact O-CB 3.37Å; Q288-E291 PolarHBondContact O-N 3.01Å; E289-E291 PolarHBondContact O-N 3Å; E291-A296 WeakPolarHBondContact O-CB 3.26Å; E291-R300 WeakPolarHBondContact O-CD 3.44Å; E291-R300 PolarHBondContact O-NE 3Å
292W97.2Very high95.7Very high0 Ų045.2 Ų45.20%023%0.234CC..G310 helixtrans-115.523.5174.6-67.491.5000112G245 C246 R247 I279 E282 C283 H286 E289 S290 R300G245-W292 CarbonylContact C-O 3.5Å; G245-W292 WeakPolarHBondContact CA-O 3.36Å; C246-W292 PolarHBondContact N-O 2.96Å; C246-W292 PolarHBondContact SG-O 3.26Å; R247-W292 HydrophobicContact CB-CE3 4.21Å; R247-W292 HydrophobicContact CB-CZ3 4.45Å; R247-W292 HydrophobicContact CG-CB 4.41Å; R247-W292 HydrophobicContact CG-CD2 3.53Å; R247-W292 HydrophobicContact CG-CE3 3.3Å; R247-W292 HydrophobicContact CG-CG 4.02Å; R247-W292 HydrophobicContact CG-CH2 4.45Å; R247-W292 HydrophobicContact CG-CZ3 3.79Å; R247-W292 VanDerWaalsContact NH2-CD1 3.33Å; I279-W292 HydrophobicContact CG2-CH2 3.92Å; I279-W292 HydrophobicContact CG2-CZ3 4.16Å; E282-W292 HydrophobicContact CB-CH2 4.06Å; E282-W292 HydrophobicContact CB-CZ2 4.15Å; E282-W292 HydrophobicContact CG-CH2 4.07Å; E282-W292 HydrophobicContact CG-CZ2 4.14Å; C283-W292 HydrophobicContact CB-CZ2 4.05Å; C283-W292 WeakPolarHBondContact SG-CZ2 3.37Å; H286-W292 PolarHBondContact O-NE1 3.22Å; E289-W292 CarbonylContact O-C 3.58Å; E289-W292 PolarHBondContact O-N 3.43Å; E289-W292 VanDerWaalsContact O-N 3.1Å; S290-W292 PolarHBondContact O-N 3.34Å; W292-R300 HydrophobicContact CD2-CG 4.28Å; W292-R300 HydrophobicContact CE3-CB 4.44Å; W292-R300 HydrophobicContact CE3-CG 3.78Å; W292-R300 HydrophobicContact CH2-CB 4.3Å; W292-R300 HydrophobicContact CH2-CG 4.18Å; W292-R300 HydrophobicContact CZ3-CB 3.94Å; W292-R300 HydrophobicContact CZ3-CG 3.75Å
293D94.7Very high95.7Very high67 Ų6745.6 Ų45.636%0.35824%0.239SC..SBendtrans-72.5175.4168.876.39.5000111.8C246 S290 L295 A296 L297C246-D293 PolarHBondContact SG-O 3.4Å; S290-D293 VanDerWaalsContact O-CG 3.24Å; S290-D293 PolarHBondContact O-N 3.45Å; D293-L295 VanDerWaalsContact C-N 3.27Å; D293-L295 PolarHBondContact O-N 3.03Å; D293-L295 WeakPolarHBondContact OD1-CA 3.49Å; D293-L295 WeakPolarHBondContact OD1-CB 3.42Å; D293-L295 PolarHBondContact OD1-N 3.48Å; D293-A296 PolarHBondContact O-N 3.35Å; D293-A296 WeakPolarHBondContact OD1-CB 3.49Å; D293-A296 PolarHBondContact OD1-N 2.99Å; D293-L297 PolarHBondContact O-N 3.44Å
294E92.5Very high95.7Very high83 Ų8345.6 Ų45.639%0.38824%0.239SC..THydrogen-bonded Turntrans-69-24.5-179.5-71.9-69.7167.500113.1K249 L297K249-E294 WeakPolarHBondContact CD-OE1 3.48Å; K249-E294 IonicContact NZ-OE1 3.45Å; K249-E294 PolarHBondContact NZ-OE1 2.94Å; K249-E294 IonicContact NZ-OE2 2.65Å; K249-E294 PolarHBondContact NZ-OE2 3.25Å; E294-L297 WeakPolarHBondContact O-CB 3.44Å
295L91.9Very high95.8Very high121 Ų12143.8 Ų43.863%0.63423%0.231SC*.THydrogen-bonded Turntrans-75.5-35179-68.6168000111.2M9 D293 L297M9-L295 HydrophobicContact SD-CD2 3.58Å; M9-L295 VanDerWaalsContact SD-CD2 3.58Å; M9-L295 HydrophobicContact SD-CG 4.44Å; D293-L295 VanDerWaalsContact C-N 3.27Å; D293-L295 PolarHBondContact O-N 3.03Å; D293-L295 WeakPolarHBondContact OD1-CA 3.49Å; D293-L295 WeakPolarHBondContact OD1-CB 3.42Å; D293-L295 PolarHBondContact OD1-N 3.48Å; L295-L297 VanDerWaalsContact C-N 3.31Å; L295-L297 PolarHBondContact O-N 2.91Å
296A94.2Very high95.9Very high16 Ų1642.6 Ų42.613%0.13223%0.229CC..THydrogen-bonded Turntrans-77.8-12.7178.200000113.6E291 D293 G298 D299 R300E291-A296 WeakPolarHBondContact O-CB 3.26Å; D293-A296 PolarHBondContact O-N 3.35Å; D293-A296 WeakPolarHBondContact OD1-CB 3.49Å; D293-A296 PolarHBondContact OD1-N 2.99Å; A296-G298 PolarHBondContact O-N 3.17Å; A296-G298 VanDerWaalsContact O-N 3.1Å; A296-D299 PolarHBondContact O-N 3.41Å; A296-R300 WeakPolarHBondContact O-CG 3.28Å; A296-R300 PolarHBondContact O-N 3.38Å
297L95.1Very high96Very high4 Ų443.2 Ų43.22%0.02123%0.232CC..Hα-helixtrans-50.2-41.5-174.2177.360.7000113.3L12 C246 K249 C250 I253 D293 E294 L295 R300 I301L12-L297 HydrophobicContact CD1-CG 4.35Å; C246-L297 HydrophobicContact CB-CD1 4.18Å; K249-L297 HydrophobicContact CD-CD2 3.9Å; K249-L297 HydrophobicContact CG-CD2 4.23Å; C250-L297 HydrophobicContact CB-CD1 3.7Å; I253-L297 HydrophobicContact CD1-CD1 4.4Å; I253-L297 HydrophobicContact CD1-CD2 3.91Å; I253-L297 HydrophobicContact CD1-CG 4.44Å; D293-L297 PolarHBondContact O-N 3.44Å; E294-L297 WeakPolarHBondContact O-CB 3.44Å; L295-L297 VanDerWaalsContact C-N 3.31Å; L295-L297 PolarHBondContact O-N 2.91Å; L297-R300 PolarHBondContact O-N 2.98Å; L297-I301 HydrophobicContact CD1-CD1 4.03Å; L297-I301 HydrophobicContact CD1-CG1 4.35Å; L297-I301 HydrophobicContact CG-CD1 4.05Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 3.46Å
298G94.4Very high96.2Very high8 Ų842.1 Ų42.18%0.08222%0.224CC..Hα-helixtrans-64.4-45.3178.100000112.9L2 L12 A296 R300 I301 V302L2-G298 VanDerWaalsContact CD1-C 3.41Å; L12-G298 VanDerWaalsContact CD1-CA 3.46Å; A296-G298 PolarHBondContact O-N 3.17Å; A296-G298 VanDerWaalsContact O-N 3.1Å; G298-R300 VanDerWaalsContact C-N 3.34Å; G298-R300 PolarHBondContact O-N 3.42Å; G298-I301 PolarHBondContact O-N 3.25Å; G298-V302 WeakPolarHBondContact O-CG2 3.45Å; G298-V302 PolarHBondContact O-N 2.95Å
299D95.2Very high96.3Very high65 Ų6537.1 Ų37.135%0.34820%0.201SC..Hα-helixtrans-66.4-36.5177.1-70.2-44.4000111.1M1 A296 V302 G303M1-D299 PolarHBondContact N-OD1 3.03Å; A296-D299 PolarHBondContact O-N 3.41Å; D299-V302 PolarHBondContact O-N 2.67Å; D299-G303 PolarHBondContact O-N 2.88Å
300R97.5Very high96.5Very high22 Ų2235.9 Ų35.98%0.08320%0.201CC..Hα-helixtrans-61.7-45173.8-59-55.893.1-129.64.1112E282 H286 E291 W292 A296 L297 G298 V302 G303 V304E282-R300 IonicContact OE1-CZ 3.33Å; E282-R300 IonicContact OE1-NH1 3.91Å; E282-R300 PolarHBondContact OE1-NH1 2.97Å; H286-R300 PolarHBondContact CD2-NH1 2.91Å; H286-R300 PolarHBondContact CD2-NH2 2.81Å; H286-R300 PolarHBondContact CE1-NH1 3.22Å; H286-R300 VanDerWaalsContact CG-CZ 3.45Å; H286-R300 PolarHBondContact ND1-NH1 3.23Å; H286-R300 PolarHBondContact NE2-NH1 2.73Å; H286-R300 PolarHBondContact NE2-NH2 3.08Å; E291-R300 WeakPolarHBondContact O-CD 3.44Å; E291-R300 PolarHBondContact O-NE 3Å; W292-R300 HydrophobicContact CD2-CG 4.28Å; W292-R300 HydrophobicContact CE3-CB 4.44Å; W292-R300 HydrophobicContact CE3-CG 3.78Å; W292-R300 HydrophobicContact CH2-CB 4.3Å; W292-R300 HydrophobicContact CH2-CG 4.18Å; W292-R300 HydrophobicContact CZ3-CB 3.94Å; W292-R300 HydrophobicContact CZ3-CG 3.75Å; A296-R300 WeakPolarHBondContact O-CG 3.28Å; A296-R300 PolarHBondContact O-N 3.38Å; L297-R300 PolarHBondContact O-N 2.98Å; G298-R300 VanDerWaalsContact C-N 3.34Å; G298-R300 PolarHBondContact O-N 3.42Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 3.46Å; R300-G303 PolarHBondContact O-N 3Å; R300-V304 WeakPolarHBondContact O-CG2 3.21Å; R300-V304 PolarHBondContact O-N 3.02Å
301I97.3Very high96.7Very high5 Ų532.4 Ų32.43%0.02618%0.177CC..Hα-helixtrans-61.5-44.9177.1-71.5164.8000110.6L12 I253 L254 L297 G298 V304 L305L12-I301 HydrophobicContact CD1-CD1 4.19Å; L12-I301 HydrophobicContact CD2-CD1 3.55Å; I253-I301 HydrophobicContact CB-CD1 4.2Å; I253-I301 HydrophobicContact CD1-CD1 3.91Å; I253-I301 HydrophobicContact CG2-CD1 3.76Å; L254-I301 HydrophobicContact CD2-CG2 4.13Å; L297-I301 HydrophobicContact CD1-CD1 4.03Å; L297-I301 HydrophobicContact CD1-CG1 4.35Å; L297-I301 HydrophobicContact CG-CD1 4.05Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 3.46Å; G298-I301 PolarHBondContact O-N 3.25Å; I301-V304 PolarHBondContact O-N 2.68Å; I301-L305 HydrophobicContact CG2-CD1 3.97Å; I301-L305 HydrophobicContact CG2-CG 4.49Å; I301-L305 WeakPolarHBondContact O-CB 3.09Å; I301-L305 WeakPolarHBondContact O-CG 3.34Å; I301-L305 PolarHBondContact O-N 2.79Å
302V96.7Very high96.8Very high15 Ų1529.5 Ų29.59%0.09116%0.163CC..Hα-helixtrans-61.9-45.9176.8164.10000111.3L2 G298 D299 R300 V304 L305 L306 L347 I351L2-V302 HydrophobicContact CD1-CG2 3.93Å; L2-V302 HydrophobicContact CD2-CG2 3.99Å; L2-V302 HydrophobicContact CG-CG2 4.2Å; G298-V302 WeakPolarHBondContact O-CG2 3.45Å; G298-V302 PolarHBondContact O-N 2.95Å; D299-V302 PolarHBondContact O-N 2.67Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 3.46Å; V302-V304 PolarHBondContact O-N 3.03Å; V302-L305 PolarHBondContact O-N 2.9Å; V302-L306 HydrophobicContact CG1-CD1 3.82Å; V302-L306 HydrophobicContact CG1-CG 4.42Å; V302-L306 WeakPolarHBondContact O-CB 3.39Å; V302-L306 WeakPolarHBondContact O-CG 3.49Å; V302-L306 PolarHBondContact O-N 3.4Å; V302-L347 HydrophobicContact CB-CD1 4.38Å; V302-L347 HydrophobicContact CG1-CD1 4.17Å; V302-L347 HydrophobicContact CG2-CD1 4.18Å; V302-I351 HydrophobicContact CG1-CD1 3.91Å; V302-I351 HydrophobicContact CG1-CG1 4.3Å; V302-I351 HydrophobicContact CG2-CD1 4.32Å; V302-I351 HydrophobicContact CG2-CG1 3.84Å
303G98.2Very high96.8Very high14 Ų1435.3 Ų35.314%0.14419%0.19CC..Hα-helixtrans-58-46177.800000112.3D299 R300 L306 Q307D299-G303 PolarHBondContact O-N 2.88Å; R300-G303 PolarHBondContact O-N 3Å; G303-L306 PolarHBondContact O-N 2.96Å; G303-Q307 WeakPolarHBondContact O-CB 3.21Å; G303-Q307 PolarHBondContact O-N 3.5Å
304V98.8Very high97Very high0 Ų036.4 Ų36.40%020%0.202CC..Hα-helixtrans-65.1-42.6177174.20000112.1L254 L278 I279 E282 R300 I301 V302 Q307 L308L254-V304 HydrophobicContact CD1-CB 4Å; L254-V304 HydrophobicContact CD1-CG1 3.59Å; L254-V304 HydrophobicContact CD1-CG2 4.33Å; L254-V304 HydrophobicContact CD2-CG1 4.36Å; L278-V304 HydrophobicContact CB-CG1 3.86Å; L278-V304 HydrophobicContact CD1-CG1 4.49Å; I279-V304 HydrophobicContact CG1-CG1 4.43Å; I279-V304 HydrophobicContact CG1-CG2 3.91Å; E282-V304 HydrophobicContact CB-CG2 3.88Å; E282-V304 HydrophobicContact CG-CG2 3.96Å; R300-V304 WeakPolarHBondContact O-CG2 3.21Å; R300-V304 PolarHBondContact O-N 3.02Å; I301-V304 PolarHBondContact O-N 2.68Å; V302-V304 PolarHBondContact O-N 3.03Å; V304-Q307 PolarHBondContact O-N 3.4Å; V304-L308 WeakPolarHBondContact O-CB 3.37Å; V304-L308 PolarHBondContact O-N 3.46Å
305L98.6Very high97.2Very high1 Ų138.1 Ų38.11%0.00521%0.205CC..Hα-helixtrans-68.1-37.4178.4-71.7175.4000112.3L254 I301 V302 L308 V309 T343 L347 L350L254-L305 HydrophobicContact CD2-CD2 3.86Å; L254-L305 HydrophobicContact CD2-CG 3.92Å; I301-L305 HydrophobicContact CG2-CD1 3.97Å; I301-L305 HydrophobicContact CG2-CG 4.49Å; I301-L305 WeakPolarHBondContact O-CB 3.09Å; I301-L305 WeakPolarHBondContact O-CG 3.34Å; I301-L305 PolarHBondContact O-N 2.79Å; V302-L305 PolarHBondContact O-N 2.9Å; L305-L308 HydrophobicContact CD2-CD2 4.41Å; L305-L308 WeakPolarHBondContact O-CB 3.48Å; L305-L308 PolarHBondContact O-N 3.25Å; L305-V309 WeakPolarHBondContact O-CG2 3.35Å; L305-V309 PolarHBondContact O-N 2.88Å; L305-T343 HydrophobicContact CD2-CG2 4.08Å; L305-L347 HydrophobicContact CB-CB 4.38Å; L305-L347 HydrophobicContact CB-CD1 3.84Å; L305-L347 HydrophobicContact CB-CD2 4.44Å; L305-L347 HydrophobicContact CB-CG 4.45Å; L305-L347 HydrophobicContact CD1-CD1 4.19Å; L305-L350 HydrophobicContact CD1-CD1 3.72Å
306L98.5Very high97.5Very high80 Ų8038.1 Ų38.142%0.41920%0.2SC..Hα-helixtrans-61.2-47.4171.8-81.2167.5000111.1V302 G303 L308 V309 S310 W344 L347V302-L306 HydrophobicContact CG1-CD1 3.82Å; V302-L306 HydrophobicContact CG1-CG 4.42Å; V302-L306 WeakPolarHBondContact O-CB 3.39Å; V302-L306 WeakPolarHBondContact O-CG 3.49Å; V302-L306 PolarHBondContact O-N 3.4Å; G303-L306 PolarHBondContact O-N 2.96Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.91Å; L306-V309 PolarHBondContact O-N 3.39Å; L306-S310 PolarHBondContact O-N 3.4Å; L306-W344 HydrophobicContact CD2-CZ3 4Å; L306-L347 HydrophobicContact CB-CD2 4.4Å; L306-L347 HydrophobicContact CD2-CD2 3.45Å; L306-L347 VanDerWaalsContact CD2-CD2 3.45Å; L306-L347 HydrophobicContact CG-CD2 3.58Å
307Q98.8Very high97.7Very high52 Ų5237.4 Ų37.424%0.24319%0.194CC..Hα-helixtrans-62.6-37.7177.3-17260.857.100111.5L278 G303 V304 S310 C311L278-Q307 HydrophobicContact CD2-CG 3.8Å; G303-Q307 WeakPolarHBondContact O-CB 3.21Å; G303-Q307 PolarHBondContact O-N 3.5Å; V304-Q307 PolarHBondContact O-N 3.4Å; Q307-S310 WeakPolarHBondContact O-CB 3.22Å; Q307-S310 PolarHBondContact O-N 2.88Å; Q307-C311 WeakPolarHBondContact O-CB 3.5Å; Q307-C311 PolarHBondContact O-N 2.93Å; Q307-C311 PolarHBondContact O-SG 2.88Å; Q307-C311 VanDerWaalsContact O-SG 3.41Å
308L98.8Very high97.8Very high1 Ų138.8 Ų38.81%0.00520%0.203CC..Hα-helixtrans-61.8-45.5175.4179.958.2000111.8L262 I270 V274 L275 L278 V304 L305 L306 S310 C311 L312 T343L262-L308 HydrophobicContact CD1-CD2 4.46Å; I270-L308 HydrophobicContact CD1-CD2 4.15Å; I270-L308 HydrophobicContact CG1-CD1 4.29Å; I270-L308 HydrophobicContact CG1-CD2 4.46Å; I270-L308 HydrophobicContact CG2-CD1 4.24Å; I270-L308 HydrophobicContact CG2-CD2 3.81Å; V274-L308 HydrophobicContact CG1-CD1 3.88Å; L275-L308 HydrophobicContact CD2-CD2 3.92Å; L278-L308 HydrophobicContact CD1-CB 3.56Å; L278-L308 HydrophobicContact CD1-CD1 3.75Å; L278-L308 HydrophobicContact CD1-CG 4.2Å; V304-L308 WeakPolarHBondContact O-CB 3.37Å; V304-L308 PolarHBondContact O-N 3.46Å; L305-L308 HydrophobicContact CD2-CD2 4.41Å; L305-L308 WeakPolarHBondContact O-CB 3.48Å; L305-L308 PolarHBondContact O-N 3.25Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.91Å; L308-S310 VanDerWaalsContact C-N 3.31Å; L308-S310 PolarHBondContact O-N 2.91Å; L308-C311 PolarHBondContact O-N 3.02Å; L308-L312 HydrophobicContact CD1-CD1 3.95Å; L308-L312 HydrophobicContact CD1-CG 4.11Å; L308-L312 HydrophobicContact CG-CD1 3.89Å; L308-L312 HydrophobicContact CG-CG 4.5Å; L308-L312 WeakPolarHBondContact O-CB 3.22Å; L308-L312 WeakPolarHBondContact O-CD1 3.49Å; L308-L312 VanDerWaalsContact O-CG 3.22Å; L308-L312 WeakPolarHBondContact O-CG 3.07Å; L308-L312 PolarHBondContact O-N 2.99Å; L308-T343 HydrophobicContact CB-CG2 4.28Å; L308-T343 HydrophobicContact CD2-CG2 3.73Å; L308-T343 HydrophobicContact CG-CG2 3.98Å
309V98.7Very high98Very high8 Ų838.6 Ų38.65%0.04820%0.2CC..Hα-helixtrans-58-46.5174.7172.90000110.4L305 L306 L312 Q313 T343 W344L305-V309 WeakPolarHBondContact O-CG2 3.35Å; L305-V309 PolarHBondContact O-N 2.88Å; L306-V309 PolarHBondContact O-N 3.39Å; V309-L312 PolarHBondContact O-N 3.13Å; V309-Q313 HydrophobicContact CG1-CG 4.36Å; V309-Q313 WeakPolarHBondContact O-CB 3.41Å; V309-Q313 WeakPolarHBondContact O-CG 3.2Å; V309-Q313 PolarHBondContact O-N 3.05Å; V309-T343 HydrophobicContact CG2-CG2 3.64Å; V309-W344 HydrophobicContact CG1-CE3 4.44Å; V309-W344 HydrophobicContact CG2-CB 4.15Å; V309-W344 HydrophobicContact CG2-CE3 4.44Å
310S98.6Very high98.2Very high50 Ų5035.8 Ų35.835%0.3519%0.185SC..Hα-helixtrans-60.2-47.5177.5179.70000112.2L306 Q307 L308 L312 Q313 C314L306-S310 PolarHBondContact O-N 3.4Å; Q307-S310 WeakPolarHBondContact O-CB 3.22Å; Q307-S310 PolarHBondContact O-N 2.88Å; L308-S310 VanDerWaalsContact C-N 3.31Å; L308-S310 PolarHBondContact O-N 2.91Å; S310-L312 VanDerWaalsContact C-N 3.33Å; S310-L312 PolarHBondContact O-N 3.22Å; S310-Q313 PolarHBondContact O-N 2.94Å; S310-C314 VanDerWaalsContact O-CB 3.27Å; S310-C314 WeakPolarHBondContact O-CB 3.43Å; S310-C314 PolarHBondContact O-N 3.02Å; S310-C314 PolarHBondContact O-SG 3.33Å; S310-C314 VanDerWaalsContact O-SG 3.33Å
311C98.7Very high98.2Very high8 Ų834.7 Ų34.75%0.05418%0.181CC..Hα-helixtrans-60.5-41.3177.5-76.70000112.5Q307 L308 R315 K316 C317 L328Q307-C311 WeakPolarHBondContact O-CB 3.5Å; Q307-C311 PolarHBondContact O-N 2.93Å; Q307-C311 PolarHBondContact O-SG 2.88Å; Q307-C311 VanDerWaalsContact O-SG 3.41Å; L308-C311 PolarHBondContact O-N 3.02Å; C311-R315 WeakPolarHBondContact O-CA 3.35Å; C311-R315 PolarHBondContact O-N 3.04Å; C311-K316 WeakPolarHBondContact CA-O 3.43Å; C311-K316 VanDerWaalsContact CB-O 3.32Å; C311-K316 WeakPolarHBondContact CB-O 3.48Å; C311-K316 PolarHBondContact O-N 3.25Å; C311-K316 PolarHBondContact SG-O 2.87Å; C311-K316 VanDerWaalsContact SG-O 3.41Å; C311-C317 HydrophobicContact CB-CB 4.16Å; C311-L328 HydrophobicContact CB-CD1 4.5Å
312L98.6Very high98.1Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-67.3-44.5178.4-68.2164.4000111.6P269 I270 L308 V309 S310 R315 L328 L336 A340P269-L312 HydrophobicContact CG-CD2 4.09Å; I270-L312 HydrophobicContact CD1-CD1 3.9Å; I270-L312 HydrophobicContact CG1-CD1 4.15Å; I270-L312 HydrophobicContact CG1-CD2 4.24Å; L308-L312 HydrophobicContact CD1-CD1 3.95Å; L308-L312 HydrophobicContact CD1-CG 4.11Å; L308-L312 HydrophobicContact CG-CD1 3.89Å; L308-L312 HydrophobicContact CG-CG 4.5Å; L308-L312 WeakPolarHBondContact O-CB 3.22Å; L308-L312 WeakPolarHBondContact O-CD1 3.49Å; L308-L312 VanDerWaalsContact O-CG 3.22Å; L308-L312 WeakPolarHBondContact O-CG 3.07Å; L308-L312 PolarHBondContact O-N 2.99Å; V309-L312 PolarHBondContact O-N 3.13Å; S310-L312 VanDerWaalsContact C-N 3.33Å; S310-L312 PolarHBondContact O-N 3.22Å; L312-R315 PolarHBondContact O-N 3.43Å; L312-R315 VanDerWaalsContact O-N 3.16Å; L312-L328 HydrophobicContact CD2-CD1 4.23Å; L312-L328 HydrophobicContact CD2-CD2 4.34Å; L312-L336 HydrophobicContact CD2-CD2 3.91Å; L312-A340 HydrophobicContact CB-CB 3.76Å; L312-A340 HydrophobicContact CD1-CB 4.47Å
313Q98Very high98Very high121 Ų12136.5 Ų36.557%0.56519%0.193SC*.Hα-helixtrans-65.6-41.3177.5-72.5178.5-34.400112.5V309 S310 R315 A340V309-Q313 HydrophobicContact CG1-CG 4.36Å; V309-Q313 WeakPolarHBondContact O-CB 3.41Å; V309-Q313 WeakPolarHBondContact O-CG 3.2Å; V309-Q313 PolarHBondContact O-N 3.05Å; S310-Q313 PolarHBondContact O-N 2.94Å; Q313-R315 PolarHBondContact O-N 2.81Å; Q313-A340 HydrophobicContact CG-CB 3.94Å
314C97.9Very high97.7Very high90 Ų9040 Ų4061%0.60822%0.215SC*.THydrogen-bonded Turntrans-76.7-7175.4-66.30000112.9S310 K316S310-C314 VanDerWaalsContact O-CB 3.27Å; S310-C314 WeakPolarHBondContact O-CB 3.43Å; S310-C314 PolarHBondContact O-N 3.02Å; S310-C314 PolarHBondContact O-SG 3.33Å; S310-C314 VanDerWaalsContact O-SG 3.33Å; C314-K316 PolarHBondContact O-N 3.15Å
315R97.7Very high97.5Very high119 Ų11941.7 Ų41.745%0.44922%0.224SC..THydrogen-bonded Turntrans55.435.7-178.8-51.4179.8-179.7116.93.5112.8C311 L312 Q313 L336 D337C311-R315 WeakPolarHBondContact O-CA 3.35Å; C311-R315 PolarHBondContact O-N 3.04Å; L312-R315 PolarHBondContact O-N 3.43Å; L312-R315 VanDerWaalsContact O-N 3.16Å; Q313-R315 PolarHBondContact O-N 2.81Å; R315-L336 HydrophobicContact CB-CD1 3.87Å; R315-L336 HydrophobicContact CG-CD1 3.88Å; R315-D337 IonicContact NE-OD1 2.75Å; R315-D337 IonicContact NH2-OD1 3.43Å; R315-D337 PolarHBondContact NH2-OD1 2.92Å; R315-D337 IonicContact NH2-OD2 3.67Å; R315-D337 PolarHBondContact NH2-OD2 3.05Å
316K97.8Very high97.3Very high122 Ų12243.3 Ų43.353%0.5323%0.233SC..  trans-150.3125.5-177.2-170.1176.4-177.91780111.1C311 C314C311-K316 WeakPolarHBondContact CA-O 3.43Å; C311-K316 VanDerWaalsContact CB-O 3.32Å; C311-K316 WeakPolarHBondContact CB-O 3.48Å; C311-K316 PolarHBondContact O-N 3.25Å; C311-K316 PolarHBondContact SG-O 2.87Å; C311-K316 VanDerWaalsContact SG-O 3.41Å; C314-K316 PolarHBondContact O-N 3.15Å
317C98.2Very high97.2Very high0 Ų041.2 Ų41.20%022%0.222CC..  trans-133.592.8170.1-174.20000108.4C311 D326 L327 L328C311-C317 HydrophobicContact CB-CB 4.16Å; C317-D326 PolarHBondContact N-OD1 3.42Å; C317-L327 HydrophobicContact CB-CB 4.28Å; C317-L327 WeakPolarHBondContact O-CB 3.27Å; C317-L327 WeakPolarHBondContact O-CG 3.34Å; C317-L327 PolarHBondContact O-N 3.41Å; C317-L328 HydrophobicContact CB-CD1 3.84Å; C317-L328 HydrophobicContact CB-CG 3.72Å
318P97.7Very high97.1Very high33 Ų3339 Ų3921%0.21421%0.211CC..BIsolated β-bridgetrans-62.6139.6-178.726.4-32.7000110.8T277 Y281 P323 L325T277-P318 WeakPolarHBondContact CG2-O 3.42Å; Y281-P318 HydrophobicContact CE2-CG 4.27Å; Y281-P318 WeakPolarHBondContact CE2-O 3.31Å; Y281-P318 PolarHBondContact OH-O 3.24Å; P318-P323 HydrophobicContact CB-CB 4.45Å; P318-L325 CarbonylContact C-O 3.55Å; P318-L325 WeakPolarHBondContact CA-O 3.47Å
319H97.9Very high96.8Very high5 Ų543.2 Ų43.22%0.02323%0.231CC..  trans-61.8139.9169.6-179.9-67.9000109.6F234 Y273 Y281 F321 I322 L325 L327F234-H319 AromaticContact CD2-CE1 3.69Å; F234-H319 AromaticContact CD2-NE2 3.98Å; F234-H319 AromaticContact CE2-CE1 3.97Å; Y273-H319 AromaticContact CE1-CD2 3.94Å; Y273-H319 AromaticContact CZ-NE2 3.97Å; Y273-H319 PolarHBondContact OH-CD2 3.32Å; Y273-H319 PolarHBondContact OH-NE2 3.37Å; Y281-H319 PolarHBondContact OH-O 3.31Å; H319-F321 PolarHBondContact ND1-N 2.92Å; H319-F321 VanDerWaalsContact ND1-N 3.19Å; H319-I322 WeakPolarHBondContact CB-O 3.39Å; H319-I322 PolarHBondContact ND1-N 3.1Å; H319-I322 CarbonylContact O-C 3.49Å; H319-I322 PolarHBondContact O-N 2.73Å; H319-L325 HydrophobicContact CB-CB 4Å; H319-L325 HydrophobicContact CB-CD2 4.06Å; H319-L325 HydrophobicContact CB-CG 4.2Å; H319-L325 WeakPolarHBondContact CB-O 3.39Å; H319-L325 PolarHBondContact N-O 2.97Å; H319-L327 HydrophobicContact CB-CD2 3.96Å; H319-L327 HydrophobicContact CB-CG 4.33Å
320Y98.2Very high96.4Very high5 Ų546.6 Ų46.62%0.0227%0.267CS..SBendtrans-59-55.5-172-179.4-106.7000113.1W187 W194 M241 L280 Y281 E284W187-Y320 AromaticContact CD1-CE1 3.99Å; W187-Y320 HydrophobicContact CZ2-CE1 4.49Å; W187-Y320 AromaticContact NE1-CE1 3.43Å; W187-Y320 AromaticContact NE1-CZ 3.45Å; W187-Y320 PolarHBondContact NE1-OH 2.76Å; W194-Y320 WeakPolarHBondContact CZ3-OH 3.42Å; M241-Y320 HydrophobicContact CE-CD1 3.99Å; M241-Y320 HydrophobicContact CE-CE1 3.65Å; M241-Y320 HydrophobicContact SD-CE1 3.83Å; L280-Y320 HydrophobicContact CB-CD1 4.1Å; L280-Y320 HydrophobicContact CB-CD2 3.49Å; L280-Y320 VanDerWaalsContact CB-CD2 3.49Å; L280-Y320 HydrophobicContact CB-CE1 4.23Å; L280-Y320 HydrophobicContact CB-CE2 3.65Å; L280-Y320 HydrophobicContact CB-CG 3.71Å; L280-Y320 HydrophobicContact CD1-CD1 3.73Å; L280-Y320 HydrophobicContact CD1-CD2 4.46Å; L280-Y320 HydrophobicContact CD1-CE1 4.3Å; L280-Y320 HydrophobicContact CD1-CG 3.8Å; L280-Y320 HydrophobicContact CG-CD1 4.42Å; L280-Y320 HydrophobicContact CG-CG 4.38Å; Y281-Y320 HydrophobicContact CD1-CD2 4.15Å; Y281-Y320 HydrophobicContact CD1-CE2 4.46Å; Y281-Y320 HydrophobicContact CD2-CD2 4.38Å; Y281-Y320 HydrophobicContact CE1-CD2 4.1Å; Y281-Y320 HydrophobicContact CE2-CD2 4.33Å; Y281-Y320 HydrophobicContact CG-CD2 4.3Å; E284-Y320 HydrophobicContact CG-CE2 4.12Å; E284-Y320 VanDerWaalsContact OE1-CE2 3.27Å; E284-Y320 WeakPolarHBondContact OE1-CE2 3.49Å; E284-Y320 PolarHBondContact OE1-OH 3.31Å
321F97.8Very high96.2Very high0 Ų049.1 Ų49.10%027%0.272CS..SBendtrans-81-15.9179.7-66.5-61.3000115.4W180 A184 H186 W187 V203 F234 A237 E238 M241 H319W180-F321 HydrophobicContact CH2-CD1 4.1Å; W180-F321 HydrophobicContact CH2-CD2 4.42Å; W180-F321 AromaticContact CH2-CE1 3.81Å; W180-F321 HydrophobicContact CH2-CE1 3.81Å; W180-F321 HydrophobicContact CH2-CE2 4.15Å; W180-F321 HydrophobicContact CH2-CG 4.36Å; W180-F321 AromaticContact CH2-CZ 3.79Å; W180-F321 HydrophobicContact CH2-CZ 3.79Å; W180-F321 AromaticContact CZ2-CD1 3.64Å; W180-F321 HydrophobicContact CZ2-CD1 3.64Å; W180-F321 AromaticContact CZ2-CE1 3.67Å; W180-F321 HydrophobicContact CZ2-CE1 3.67Å; W180-F321 HydrophobicContact CZ2-CG 4.1Å; W180-F321 HydrophobicContact CZ2-CZ 4.14Å; A184-F321 VanDerWaalsContact CA-O 3.31Å; A184-F321 WeakPolarHBondContact CA-O 3.38Å; A184-F321 HydrophobicContact CB-CB 4.08Å; A184-F321 VanDerWaalsContact CB-O 3.29Å; A184-F321 WeakPolarHBondContact CB-O 3.4Å; H186-F321 PolarHBondContact CE1-O 3.26Å; H186-F321 VanDerWaalsContact CE1-O 3.26Å; W187-F321 HydrophobicContact CB-CD1 4.32Å; W187-F321 AromaticContact CD2-CD1 3.91Å; W187-F321 HydrophobicContact CD2-CD1 3.91Å; W187-F321 AromaticContact CD2-CE1 3.58Å; W187-F321 HydrophobicContact CD2-CE1 3.58Å; W187-F321 AromaticContact CE2-CE1 3.67Å; W187-F321 HydrophobicContact CE3-CD1 4.33Å; W187-F321 AromaticContact CE3-CE1 3.82Å; W187-F321 HydrophobicContact CE3-CE1 3.82Å; W187-F321 AromaticContact CG-CD1 3.86Å; W187-F321 HydrophobicContact CG-CD1 3.86Å; W187-F321 HydrophobicContact CG-CE1 4.02Å; W187-F321 HydrophobicContact CH2-CE1 4.2Å; W187-F321 AromaticContact CZ2-CE1 3.98Å; W187-F321 HydrophobicContact CZ2-CE1 3.98Å; W187-F321 HydrophobicContact CZ3-CE1 4.13Å; V203-F321 HydrophobicContact CG1-CE1 4.35Å; V203-F321 HydrophobicContact CG1-CZ 3.94Å; F234-F321 HydrophobicContact CB-CD2 3.61Å; F234-F321 HydrophobicContact CB-CE2 3.65Å; F234-F321 AromaticContact CD1-CD2 3.79Å; F234-F321 HydrophobicContact CD1-CD2 3.79Å; F234-F321 HydrophobicContact CD1-CE2 4.12Å; F234-F321 HydrophobicContact CD1-CG 4.36Å; F234-F321 HydrophobicContact CD2-CB 4.45Å; F234-F321 AromaticContact CD2-CD2 3.99Å; F234-F321 HydrophobicContact CD2-CD2 3.99Å; F234-F321 HydrophobicContact CE1-CD2 4.45Å; F234-F321 HydrophobicContact CE2-CB 4.35Å; F234-F321 AromaticContact CG-CD2 3.52Å; F234-F321 HydrophobicContact CG-CD2 3.52Å; F234-F321 AromaticContact CG-CE2 3.98Å; F234-F321 HydrophobicContact CG-CE2 3.98Å; F234-F321 HydrophobicContact CG-CG 4.38Å; F234-F321 HydrophobicContact CZ-CB 4.38Å; A237-F321 HydrophobicContact CB-CE2 4.39Å; A237-F321 HydrophobicContact CB-CZ 4.48Å; E238-F321 HydrophobicContact CG-CD2 4.44Å; E238-F321 HydrophobicContact CG-CE2 3.8Å; M241-F321 HydrophobicContact CE-CE1 3.92Å; M241-F321 HydrophobicContact CE-CE2 3.63Å; M241-F321 HydrophobicContact CE-CZ 3.12Å; M241-F321 HydrophobicContact SD-CE1 4.25Å; M241-F321 HydrophobicContact SD-CZ 3.89Å; H319-F321 PolarHBondContact ND1-N 2.92Å; H319-F321 VanDerWaalsContact ND1-N 3.19Å
322I96.3Very high96Very high1 Ų151.3 Ų51.31%0.00529%0.287CS..  trans-13576.7-173.9-53.5-178.4000107.6A184 M232 F234 H319 S324 L325A184-I322 HydrophobicContact CB-CG1 4.46Å; M232-I322 HydrophobicContact CB-CD1 4.38Å; M232-I322 HydrophobicContact CE-CD1 3.73Å; M232-I322 HydrophobicContact SD-CD1 4.28Å; F234-I322 HydrophobicContact CE2-CD1 3.7Å; F234-I322 HydrophobicContact CE2-CG1 4.15Å; F234-I322 HydrophobicContact CZ-CD1 4.02Å; F234-I322 HydrophobicContact CZ-CG1 4.37Å; H319-I322 WeakPolarHBondContact CB-O 3.39Å; H319-I322 PolarHBondContact ND1-N 3.1Å; H319-I322 CarbonylContact O-C 3.49Å; H319-I322 PolarHBondContact O-N 2.73Å; I322-S324 PolarHBondContact O-N 2.93Å; I322-L325 HydrophobicContact CB-CB 4.4Å; I322-L325 HydrophobicContact CG2-CB 4.11Å; I322-L325 WeakPolarHBondContact O-CB 3.11Å; I322-L325 PolarHBondContact O-N 3.35Å
323P94.3Very high95.9Very high57 Ų5754.9 Ų54.937%0.3731%0.309SS..THydrogen-bonded Turntrans-62.9-15.5-170.9-25.335.6000115H186 P318 L325H186-P323 WeakPolarHBondContact CE1-CD 3.47Å; H186-P323 WeakPolarHBondContact NE2-CD 3.43Å; H186-P323 WeakPolarHBondContact NE2-CG 3.31Å; P318-P323 HydrophobicContact CB-CB 4.45Å; P323-L325 VanDerWaalsContact C-N 3.29Å
324S92.3Very high95.9Very high86 Ų8653.2 Ų53.260%0.60131%0.307SS*.THydrogen-bonded Turntrans-73.3-18.8172.556.50000113.5I322I322-S324 PolarHBondContact O-N 2.93Å
325L93.9Very high95.8Very high37 Ų3752 Ų5219%0.19429%0.294CS..SBendtrans-89.6123.3174.2178.867.3000109.6P318 H319 I322 P323P318-L325 CarbonylContact C-O 3.55Å; P318-L325 WeakPolarHBondContact CA-O 3.47Å; H319-L325 HydrophobicContact CB-CB 4Å; H319-L325 HydrophobicContact CB-CD2 4.06Å; H319-L325 HydrophobicContact CB-CG 4.2Å; H319-L325 WeakPolarHBondContact CB-O 3.39Å; H319-L325 PolarHBondContact N-O 2.97Å; I322-L325 HydrophobicContact CB-CB 4.4Å; I322-L325 HydrophobicContact CG2-CB 4.11Å; I322-L325 WeakPolarHBondContact O-CB 3.11Å; I322-L325 PolarHBondContact O-N 3.35Å; P323-L325 VanDerWaalsContact C-N 3.29Å
326D95.4Very high95.8Very high35 Ų3546.6 Ų46.619%0.18727%0.274CS..BIsolated β-bridgetrans-100.7121.9176.3175.921.5000111.2C317 L328 Q329C317-D326 PolarHBondContact N-OD1 3.42Å; D326-L328 PolarHBondContact O-N 3.02Å; D326-L328 PolarHBondContact OD1-N 2.94Å; D326-Q329 HydrophobicContact CB-CB 4.18Å; D326-Q329 WeakPolarHBondContact O-CB 3.35Å; D326-Q329 PolarHBondContact O-N 3.34Å
327L96.1Very high95.8Very high36 Ų3643.1 Ų43.119%0.18826%0.261CS..THydrogen-bonded Turntrans-72.3-16.5-178.6-56.6-176.7000113.4Y273 V274 T277 C317 H319Y273-L327 HydrophobicContact CD1-CD1 4.04Å; Y273-L327 HydrophobicContact CD1-CD2 4.13Å; Y273-L327 HydrophobicContact CE1-CD1 4.08Å; Y273-L327 HydrophobicContact CE1-CD2 3.86Å; V274-L327 HydrophobicContact CG2-CB 4.15Å; V274-L327 HydrophobicContact CG2-CD1 4.41Å; T277-L327 HydrophobicContact CG2-CD1 3.81Å; T277-L327 VanDerWaalsContact OG1-CD1 3.31Å; T277-L327 WeakPolarHBondContact OG1-CD1 3.49Å; C317-L327 HydrophobicContact CB-CB 4.28Å; C317-L327 WeakPolarHBondContact O-CB 3.27Å; C317-L327 WeakPolarHBondContact O-CG 3.34Å; C317-L327 PolarHBondContact O-N 3.41Å; H319-L327 HydrophobicContact CB-CD2 3.96Å; H319-L327 HydrophobicContact CB-CG 4.33Å
328L96.4Very high95.7Very high4 Ų447.9 Ų47.92%0.02128%0.283CS..THydrogen-bonded Turntrans-96.91.9175.2-61.8178.6000112.6P269 C311 L312 C317 D326 G330 K331 L336P269-L328 HydrophobicContact CB-CD2 4.19Å; C311-L328 HydrophobicContact CB-CD1 4.5Å; L312-L328 HydrophobicContact CD2-CD1 4.23Å; L312-L328 HydrophobicContact CD2-CD2 4.34Å; C317-L328 HydrophobicContact CB-CD1 3.84Å; C317-L328 HydrophobicContact CB-CG 3.72Å; D326-L328 PolarHBondContact O-N 3.02Å; D326-L328 PolarHBondContact OD1-N 2.94Å; L328-G330 PolarHBondContact O-N 3.49Å; L328-K331 WeakPolarHBondContact O-CB 3.46Å; L328-K331 WeakPolarHBondContact O-CG 3.33Å; L328-K331 PolarHBondContact O-N 3.1Å; L328-L336 HydrophobicContact CB-CD2 4.28Å; L328-L336 HydrophobicContact CD1-CD2 4.16Å; L328-L336 HydrophobicContact CD2-CD2 4.02Å; L328-L336 HydrophobicContact CG-CD2 4.37Å
329Q92.9Very high95.7Very high91 Ų9146.6 Ų46.643%0.42528%0.275SS..THydrogen-bonded Turntrans-58136.1-179.3-171.1171.76.400111.5D326 K331D326-Q329 HydrophobicContact CB-CB 4.18Å; D326-Q329 WeakPolarHBondContact O-CB 3.35Å; D326-Q329 PolarHBondContact O-N 3.34Å; Q329-K331 VanDerWaalsContact C-N 3.25Å; Q329-K331 PolarHBondContact O-N 3.36Å
330G90.1Very high95.7Very high78 Ų7846.6 Ų46.680%0.80428%0.276SS*.THydrogen-bonded Turntrans78.8-2.8179.500000115.2L328L328-G330 PolarHBondContact O-N 3.49Å
331K94Very high95.7Very high104 Ų10452.8 Ų52.845%0.45230%0.299SS..  trans-79.6140173.2-56.9-59.7-179.6-178.90110.6P269 L328 Q329 L336P269-K331 HydrophobicContact CB-CB 4.31Å; P269-K331 HydrophobicContact CB-CD 4.24Å; P269-K331 HydrophobicContact CB-CG 3.92Å; L328-K331 WeakPolarHBondContact O-CB 3.46Å; L328-K331 WeakPolarHBondContact O-CG 3.33Å; L328-K331 PolarHBondContact O-N 3.1Å; Q329-K331 VanDerWaalsContact C-N 3.25Å; Q329-K331 PolarHBondContact O-N 3.36Å; K331-L336 HydrophobicContact CB-CD1 4.34Å; K331-L336 HydrophobicContact CB-CD2 3.97Å; K331-L336 HydrophobicContact CB-CG 4.11Å
332S94.6Very high95.7Very high54 Ų5456.5 Ų56.538%0.37832%0.317SS..  trans-67.9143.9-17976.60000111.3V334 I335 L336S332-V334 PolarHBondContact O-N 2.99Å; S332-I335 PolarHBondContact O-N 3.37Å; S332-I335 WeakPolarHBondContact OG-CB 3.27Å; S332-I335 WeakPolarHBondContact OG-CD1 3.38Å; S332-I335 VanDerWaalsContact OG-CG1 3.26Å; S332-I335 WeakPolarHBondContact OG-CG1 3.31Å; S332-I335 PolarHBondContact OG-N 3.44Å; S332-L336 WeakPolarHBondContact O-CG 3.36Å; S332-L336 PolarHBondContact O-N 3.05Å
333T96.5Very high95.8Very high75 Ų7556.5 Ų56.546%0.4632%0.317SS..Hα-helixtrans-58.1-38178.954.20000111.9I335 L336 D337T333-I335 PolarHBondContact O-N 2.79Å; T333-L336 PolarHBondContact O-N 3.38Å; T333-D337 WeakPolarHBondContact O-CB 3.45Å; T333-D337 PolarHBondContact O-N 3.03Å
334V96.9Very high96Very high86 Ų8659.7 Ų59.752%0.52132%0.321SS..Hα-helixtrans-60.1-46.8177.6178.50000111.5S332 D337 Q338S332-V334 PolarHBondContact O-N 2.99Å; V334-D337 PolarHBondContact O-N 3.01Å; V334-Q338 WeakPolarHBondContact O-CB 3.41Å; V334-Q338 VanDerWaalsContact O-CG 3.25Å; V334-Q338 WeakPolarHBondContact O-CG 3.26Å; V334-Q338 PolarHBondContact O-N 2.85Å
335I96.2Very high96.2Very high65 Ų6564 Ų6433%0.33333%0.325SS..Hα-helixtrans-67-43179.6-70.8172.4000110P269 S332 T333 D337 Q338 S339P269-I335 HydrophobicContact CB-CG2 4.48Å; P269-I335 HydrophobicContact CG-CG2 3.89Å; S332-I335 PolarHBondContact O-N 3.37Å; S332-I335 WeakPolarHBondContact OG-CB 3.27Å; S332-I335 WeakPolarHBondContact OG-CD1 3.38Å; S332-I335 VanDerWaalsContact OG-CG1 3.26Å; S332-I335 WeakPolarHBondContact OG-CG1 3.31Å; S332-I335 PolarHBondContact OG-N 3.44Å; T333-I335 PolarHBondContact O-N 2.79Å; I335-D337 PolarHBondContact O-N 3.18Å; I335-Q338 PolarHBondContact O-N 2.96Å; I335-S339 WeakPolarHBondContact O-CB 3.35Å; I335-S339 PolarHBondContact O-N 2.98Å; I335-S339 PolarHBondContact O-OG 2.87Å; I335-S339 VanDerWaalsContact O-OG 3.04Å
336L98.1Very high96.3Very high4 Ų462.7 Ų62.72%0.02132%0.317CS..Hα-helixtrans-59.4-46.1177.3-66.1174.3000112.1P269 L312 R315 L328 K331 S332 T333 Q338 S339 A340P269-L336 HydrophobicContact CB-CD2 3.9Å; P269-L336 HydrophobicContact CG-CD2 3.92Å; L312-L336 HydrophobicContact CD2-CD2 3.91Å; R315-L336 HydrophobicContact CB-CD1 3.87Å; R315-L336 HydrophobicContact CG-CD1 3.88Å; L328-L336 HydrophobicContact CB-CD2 4.28Å; L328-L336 HydrophobicContact CD1-CD2 4.16Å; L328-L336 HydrophobicContact CD2-CD2 4.02Å; L328-L336 HydrophobicContact CG-CD2 4.37Å; K331-L336 HydrophobicContact CB-CD1 4.34Å; K331-L336 HydrophobicContact CB-CD2 3.97Å; K331-L336 HydrophobicContact CB-CG 4.11Å; S332-L336 WeakPolarHBondContact O-CG 3.36Å; S332-L336 PolarHBondContact O-N 3.05Å; T333-L336 PolarHBondContact O-N 3.38Å; L336-Q338 PolarHBondContact O-N 2.9Å; L336-S339 PolarHBondContact O-N 3.38Å; L336-A340 WeakPolarHBondContact O-CB 3.41Å; L336-A340 PolarHBondContact O-N 2.89Å
337D97.6Very high96.3Very high50 Ų5061 Ų6127%0.26731%0.308SS..Hα-helixtrans-66.7-36.6179.1-67.3-14.6000111.8R315 T333 V334 I335 R341R315-D337 IonicContact NE-OD1 2.75Å; R315-D337 IonicContact NH2-OD1 3.43Å; R315-D337 PolarHBondContact NH2-OD1 2.92Å; R315-D337 IonicContact NH2-OD2 3.67Å; R315-D337 PolarHBondContact NH2-OD2 3.05Å; T333-D337 WeakPolarHBondContact O-CB 3.45Å; T333-D337 PolarHBondContact O-N 3.03Å; V334-D337 PolarHBondContact O-N 3.01Å; I335-D337 PolarHBondContact O-N 3.18Å; D337-R341 WeakPolarHBondContact O-CG 3.33Å; D337-R341 PolarHBondContact O-N 3.29Å
338Q96.9Very high96.3Very high99 Ų9967 Ų6746%0.46333%0.328SS..Hα-helixtrans-64.8-48.2173.6-75.4174.31.600111.5V334 I335 L336 A340 R341 Q342V334-Q338 WeakPolarHBondContact O-CB 3.41Å; V334-Q338 VanDerWaalsContact O-CG 3.25Å; V334-Q338 WeakPolarHBondContact O-CG 3.26Å; V334-Q338 PolarHBondContact O-N 2.85Å; I335-Q338 PolarHBondContact O-N 2.96Å; L336-Q338 PolarHBondContact O-N 2.9Å; Q338-A340 VanDerWaalsContact C-N 3.34Å; Q338-A340 PolarHBondContact O-N 3.16Å; Q338-R341 PolarHBondContact O-N 3.27Å; Q338-Q342 PolarHBondContact O-N 3.3Å
339S97.9Very high96.1Very high7 Ų770.4 Ų70.45%0.04935%0.345CS..Hα-helixtrans-61.3-41.2177.2-62.70000111.8P269 I335 L336 R341 Q342 T343P269-S339 WeakPolarHBondContact CD-OG 3.18Å; P269-S339 WeakPolarHBondContact CG-OG 3.42Å; I335-S339 WeakPolarHBondContact O-CB 3.35Å; I335-S339 PolarHBondContact O-N 2.98Å; I335-S339 PolarHBondContact O-OG 2.87Å; I335-S339 VanDerWaalsContact O-OG 3.04Å; L336-S339 PolarHBondContact O-N 3.38Å; S339-R341 VanDerWaalsContact C-N 3.35Å; S339-R341 PolarHBondContact O-N 2.84Å; S339-Q342 PolarHBondContact O-N 3.2Å; S339-T343 WeakPolarHBondContact O-CB 3.18Å; S339-T343 PolarHBondContact O-N 3.49Å; S339-T343 PolarHBondContact O-OG1 3.4Å
340A98.3Very high96.1Very high4 Ų466.7 Ų66.73%0.03333%0.328CS..Hα-helixtrans-57.8-46175.900000112L312 Q313 L336 Q338 Q342 W344L312-A340 HydrophobicContact CB-CB 3.76Å; L312-A340 HydrophobicContact CD1-CB 4.47Å; Q313-A340 HydrophobicContact CG-CB 3.94Å; L336-A340 WeakPolarHBondContact O-CB 3.41Å; L336-A340 PolarHBondContact O-N 2.89Å; Q338-A340 VanDerWaalsContact C-N 3.34Å; Q338-A340 PolarHBondContact O-N 3.16Å; A340-Q342 VanDerWaalsContact C-N 3.35Å; A340-Q342 PolarHBondContact O-N 2.97Å; A340-W344 WeakPolarHBondContact O-CB 3.35Å; A340-W344 PolarHBondContact O-N 3.36Å
341R97.8Very high96.1Very high135 Ų13565.4 Ų65.451%0.50930%0.302SS..Hα-helixtrans-62.6-41.2177-73.4-175-69.7-101.20.5112D337 Q338 S339 W344 R345D337-R341 WeakPolarHBondContact O-CG 3.33Å; D337-R341 PolarHBondContact O-N 3.29Å; Q338-R341 PolarHBondContact O-N 3.27Å; S339-R341 VanDerWaalsContact C-N 3.35Å; S339-R341 PolarHBondContact O-N 2.84Å; R341-W344 PolarHBondContact O-N 3.1Å; R341-R345 WeakPolarHBondContact O-CG 3.49Å; R341-R345 PolarHBondContact O-N 2.78Å
342Q97.2Very high95.9Very high79 Ų7965.2 Ų65.237%0.36931%0.309SS..Hα-helixtrans-69.2-44.3-179.5-169.6166.28.200111.8Y261 L262 Q338 S339 A340 W344 R345 L346Y261-Q342 PolarHBondContact O-NE2 3.47Å; L262-Q342 HydrophobicContact CD2-CG 4.05Å; Q338-Q342 PolarHBondContact O-N 3.3Å; S339-Q342 PolarHBondContact O-N 3.2Å; A340-Q342 VanDerWaalsContact C-N 3.35Å; A340-Q342 PolarHBondContact O-N 2.97Å; Q342-W344 VanDerWaalsContact C-N 3.34Å; Q342-W344 PolarHBondContact O-N 3.33Å; Q342-R345 PolarHBondContact O-N 3.47Å; Q342-L346 PolarHBondContact O-N 3.39Å
343T98.2Very high95.6Very high0 Ų066.2 Ų66.20%031%0.31CS..Hα-helixtrans-61.5-41.8173.6-54.80000111.5I270 L305 L308 V309 S339 R345 L346 L347I270-T343 WeakPolarHBondContact CD1-OG1 3.17Å; L305-T343 HydrophobicContact CD2-CG2 4.08Å; L308-T343 HydrophobicContact CB-CG2 4.28Å; L308-T343 HydrophobicContact CD2-CG2 3.73Å; L308-T343 HydrophobicContact CG-CG2 3.98Å; V309-T343 HydrophobicContact CG2-CG2 3.64Å; S339-T343 WeakPolarHBondContact O-CB 3.18Å; S339-T343 PolarHBondContact O-N 3.49Å; S339-T343 PolarHBondContact O-OG1 3.4Å; T343-R345 PolarHBondContact O-N 2.96Å; T343-L346 PolarHBondContact O-N 3.22Å; T343-L347 VanDerWaalsContact O-CB 3.3Å; T343-L347 WeakPolarHBondContact O-CB 3.41Å; T343-L347 PolarHBondContact O-N 2.82Å
344W98Very high94.8Very high125 Ų12563.4 Ų63.447%0.47329%0.294SS..Hα-helixtrans-63-40.5175.9178.8-109.5000112.7L306 V309 A340 R341 Q342 L347 R348L306-W344 HydrophobicContact CD2-CZ3 4Å; V309-W344 HydrophobicContact CG1-CE3 4.44Å; V309-W344 HydrophobicContact CG2-CB 4.15Å; V309-W344 HydrophobicContact CG2-CE3 4.44Å; A340-W344 WeakPolarHBondContact O-CB 3.35Å; A340-W344 PolarHBondContact O-N 3.36Å; R341-W344 PolarHBondContact O-N 3.1Å; Q342-W344 VanDerWaalsContact C-N 3.34Å; Q342-W344 PolarHBondContact O-N 3.33Å; W344-L347 HydrophobicContact CE3-CD2 3.89Å; W344-L347 HydrophobicContact CZ3-CD2 3.9Å; W344-L347 PolarHBondContact O-N 3.49Å; W344-R348 VanDerWaalsContact O-CB 3.31Å; W344-R348 WeakPolarHBondContact O-CB 3.47Å; W344-R348 PolarHBondContact O-N 3.47Å
345R96.7Very high94.4Very high177 Ų17766.2 Ų66.267%0.66830%0.295SS*.Hα-helixtrans-60.9-50.2175.2-75.5175.2-172.7167.81.2111.4R341 Q342 T343 L347 R348 E349R341-R345 WeakPolarHBondContact O-CG 3.49Å; R341-R345 PolarHBondContact O-N 2.78Å; Q342-R345 PolarHBondContact O-N 3.47Å; T343-R345 PolarHBondContact O-N 2.96Å; R345-L347 VanDerWaalsContact C-N 3.35Å; R345-L347 PolarHBondContact O-N 3Å; R345-R348 PolarHBondContact O-N 2.65Å; R345-E349 PolarHBondContact O-N 3.19Å
346L96Very high94Very high8 Ų863.2 Ų63.24%0.04228%0.279CS..Hα-helixtrans-56.7-49.4176.5173.163.8000111.1L257 L262 Q342 T343 R348 E349 L350 L360L257-L346 HydrophobicContact CB-CD2 4.29Å; L257-L346 HydrophobicContact CD2-CD1 4.44Å; L262-L346 HydrophobicContact CD1-CD2 4.22Å; L262-L346 HydrophobicContact CD2-CB 4.45Å; L262-L346 HydrophobicContact CD2-CD2 3.89Å; L262-L346 HydrophobicContact CG-CD2 4.11Å; Q342-L346 PolarHBondContact O-N 3.39Å; T343-L346 PolarHBondContact O-N 3.22Å; L346-R348 PolarHBondContact O-N 3.45Å; L346-E349 WeakPolarHBondContact O-CB 3.18Å; L346-E349 PolarHBondContact O-N 2.89Å; L346-L350 HydrophobicContact CD1-CD1 4.16Å; L346-L350 HydrophobicContact CD1-CG 4.26Å; L346-L350 HydrophobicContact CG-CD1 4.15Å; L346-L350 WeakPolarHBondContact O-CG 3.42Å; L346-L350 PolarHBondContact O-N 3.4Å; L346-L360 HydrophobicContact CD1-CD1 3.62Å; L346-L360 HydrophobicContact CD1-CD2 4.25Å
347L96.1Very high93.5Very high0 Ų063.5 Ų63.50%028%0.281CS..Hα-helixtrans-58.5-47.5179.2174.460.8000112V302 L305 L306 T343 W344 R345 E349 L350 I351V302-L347 HydrophobicContact CB-CD1 4.38Å; V302-L347 HydrophobicContact CG1-CD1 4.17Å; V302-L347 HydrophobicContact CG2-CD1 4.18Å; L305-L347 HydrophobicContact CB-CB 4.38Å; L305-L347 HydrophobicContact CB-CD1 3.84Å; L305-L347 HydrophobicContact CB-CD2 4.44Å; L305-L347 HydrophobicContact CB-CG 4.45Å; L305-L347 HydrophobicContact CD1-CD1 4.19Å; L306-L347 HydrophobicContact CB-CD2 4.4Å; L306-L347 HydrophobicContact CD2-CD2 3.45Å; L306-L347 VanDerWaalsContact CD2-CD2 3.45Å; L306-L347 HydrophobicContact CG-CD2 3.58Å; T343-L347 VanDerWaalsContact O-CB 3.3Å; T343-L347 WeakPolarHBondContact O-CB 3.41Å; T343-L347 PolarHBondContact O-N 2.82Å; W344-L347 HydrophobicContact CE3-CD2 3.89Å; W344-L347 HydrophobicContact CZ3-CD2 3.9Å; W344-L347 PolarHBondContact O-N 3.49Å; R345-L347 VanDerWaalsContact C-N 3.35Å; R345-L347 PolarHBondContact O-N 3Å; L347-E349 VanDerWaalsContact C-N 3.28Å; L347-E349 PolarHBondContact O-N 3.41Å; L347-L350 PolarHBondContact O-N 3.23Å; L347-I351 HydrophobicContact CD1-CD1 3.52Å; L347-I351 HydrophobicContact CD1-CG1 3.98Å; L347-I351 HydrophobicContact CD2-CD1 4.47Å; L347-I351 HydrophobicContact CG-CD1 3.77Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.78Å
348R95.3Very high93Very high161 Ų16164.2 Ų64.261%0.60828%0.283SS*.Hα-helixtrans-60.7-40.8179-177.1178.4171.3-171.7-2.3110.9W344 R345 L346 I351 T352W344-R348 VanDerWaalsContact O-CB 3.31Å; W344-R348 WeakPolarHBondContact O-CB 3.47Å; W344-R348 PolarHBondContact O-N 3.47Å; R345-R348 PolarHBondContact O-N 2.65Å; L346-R348 PolarHBondContact O-N 3.45Å; R348-I351 PolarHBondContact O-N 2.92Å; R348-T352 HydrophobicContact CG-CG2 4.21Å; R348-T352 WeakPolarHBondContact O-CB 3.47Å; R348-T352 VanDerWaalsContact O-CG2 3.26Å; R348-T352 WeakPolarHBondContact O-CG2 3.49Å; R348-T352 PolarHBondContact O-N 2.93Å; R348-T352 PolarHBondContact O-OG1 3.47Å
349E93Very high92.5Very high77 Ų7764.3 Ų64.336%0.3629%0.29SS..Hα-helixtrans-61.9-47.3176.9-154.1-176.8158.200111.4R345 L346 L347 I351 T352 N353 A356R345-E349 PolarHBondContact O-N 3.19Å; L346-E349 WeakPolarHBondContact O-CB 3.18Å; L346-E349 PolarHBondContact O-N 2.89Å; L347-E349 VanDerWaalsContact C-N 3.28Å; L347-E349 PolarHBondContact O-N 3.41Å; E349-I351 PolarHBondContact O-N 3.34Å; E349-T352 PolarHBondContact O-N 3.3Å; E349-T352 PolarHBondContact O-OG1 2.86Å; E349-N353 PolarHBondContact O-N 3.23Å; E349-A356 HydrophobicContact CB-CB 4.4Å; E349-A356 HydrophobicContact CG-CB 3.66Å
350L92.1Very high91.8Very high13 Ų1364.2 Ų64.27%0.06829%0.289CS..Hα-helixtrans-62.3-39.1178.1-68.3174.9000113.2L257 L305 L346 L347 L357 L360L257-L350 HydrophobicContact CD1-CD1 4.24Å; L305-L350 HydrophobicContact CD1-CD1 3.72Å; L346-L350 HydrophobicContact CD1-CD1 4.16Å; L346-L350 HydrophobicContact CD1-CG 4.26Å; L346-L350 HydrophobicContact CG-CD1 4.15Å; L346-L350 WeakPolarHBondContact O-CG 3.42Å; L346-L350 PolarHBondContact O-N 3.4Å; L347-L350 PolarHBondContact O-N 3.23Å; L350-L357 HydrophobicContact CD2-CD1 4.38Å; L350-L357 HydrophobicContact CD2-CD2 3.51Å; L350-L357 HydrophobicContact CD2-CG 3.65Å; L350-L360 HydrophobicContact CD2-CD1 3.71Å; L350-L360 HydrophobicContact CG-CD1 4.38Å
351I91.1Very high91.5Very high51 Ų5167.2 Ų67.226%0.26230%0.302SS..Hα-helixtrans-73.1-40.2179.8-68.6171.2000111.5L2 V302 L347 R348 E349L2-I351 HydrophobicContact CD2-CG1 4.37Å; V302-I351 HydrophobicContact CG1-CD1 3.91Å; V302-I351 HydrophobicContact CG1-CG1 4.3Å; V302-I351 HydrophobicContact CG2-CD1 4.32Å; V302-I351 HydrophobicContact CG2-CG1 3.84Å; L347-I351 HydrophobicContact CD1-CD1 3.52Å; L347-I351 HydrophobicContact CD1-CG1 3.98Å; L347-I351 HydrophobicContact CD2-CD1 4.47Å; L347-I351 HydrophobicContact CG-CD1 3.77Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.78Å; R348-I351 PolarHBondContact O-N 2.92Å; E349-I351 PolarHBondContact O-N 3.34Å
352T90.1Very high91.1Very high99 Ų9963.6 Ų63.661%0.60729%0.291SS*.Hα-helixtrans-84.3-28.8-173.355.40000113.1R348 E349R348-T352 HydrophobicContact CG-CG2 4.21Å; R348-T352 WeakPolarHBondContact O-CB 3.47Å; R348-T352 VanDerWaalsContact O-CG2 3.26Å; R348-T352 WeakPolarHBondContact O-CG2 3.49Å; R348-T352 PolarHBondContact O-N 2.93Å; R348-T352 PolarHBondContact O-OG1 3.47Å; E349-T352 PolarHBondContact O-N 3.3Å; E349-T352 PolarHBondContact O-OG1 2.86Å
353N88.6Confident90.8Very high75 Ų7562.8 Ų62.840%0.40129%0.286SS..  trans-142.6100.1179.2-179.211.8000110.7E349 R355 A356E349-N353 PolarHBondContact O-N 3.23Å; N353-R355 PolarHBondContact O-N 3.47Å; N353-R355 WeakPolarHBondContact OD1-CB 3.18Å; N353-R355 PolarHBondContact OD1-N 3.13Å; N353-A356 WeakPolarHBondContact O-CB 3.27Å; N353-A356 PolarHBondContact O-N 2.95Å
354P79.3Confident90.4Very high17 Ų1766.5 Ų66.511%0.1130%0.303CS..G310 helixtrans-57.6-23.9176.3-26.335.3000114.1L7 V8 Q11 A356L7-P354 HydrophobicContact CD2-CB 4.36Å; L7-P354 HydrophobicContact CD2-CG 4.42Å; L7-P354 HydrophobicContact CG-CB 4.23Å; V8-P354 HydrophobicContact CG2-CB 3.82Å; V8-P354 HydrophobicContact CG2-CG 3.56Å; Q11-P354 WeakPolarHBondContact CB-O 3.5Å; Q11-P354 HydrophobicContact CG-CB 4.44Å; Q11-P354 WeakPolarHBondContact CG-O 3.34Å; P354-A356 PolarHBondContact O-N 2.75Å
355R88.3Confident89.9Confident145 Ų14562.8 Ų62.855%0.54729%0.293SS..G310 helixtrans-75.6-5.8175-58.9-169.9176.7-174.7-2.2113.6N353 L357 E358N353-R355 PolarHBondContact O-N 3.47Å; N353-R355 WeakPolarHBondContact OD1-CB 3.18Å; N353-R355 PolarHBondContact OD1-N 3.13Å; R355-L357 PolarHBondContact O-N 3.13Å; R355-E358 HydrophobicContact CB-CG 4.41Å; R355-E358 VanDerWaalsContact O-CB 3.31Å; R355-E358 WeakPolarHBondContact O-CB 3.44Å; R355-E358 VanDerWaalsContact O-CG 3.27Å; R355-E358 WeakPolarHBondContact O-CG 3.38Å; R355-E358 PolarHBondContact O-N 2.93Å
356A87.5Confident89.4Confident1 Ų155.2 Ų55.21%0.00827%0.268CS..G310 helixtrans-53.2-36.6172.100000111.1E349 N353 P354 E358 T359 L360E349-A356 HydrophobicContact CB-CB 4.4Å; E349-A356 HydrophobicContact CG-CB 3.66Å; N353-A356 WeakPolarHBondContact O-CB 3.27Å; N353-A356 PolarHBondContact O-N 2.95Å; P354-A356 PolarHBondContact O-N 2.75Å; A356-E358 PolarHBondContact O-N 3.43Å; A356-T359 PolarHBondContact O-N 2.8Å; A356-T359 PolarHBondContact O-OG1 3.39Å; A356-L360 HydrophobicContact CB-CD1 4.2Å; A356-L360 VanDerWaalsContact O-CG 3.28Å; A356-L360 WeakPolarHBondContact O-CG 3.43Å; A356-L360 PolarHBondContact O-N 2.89Å
357L87Confident88.9Confident11 Ų1158.6 Ų58.66%0.05828%0.284CS..G310 helixtrans-57.3-14.7176.9-71.8169.6000115.1Q11 L12 F15 L257 L350 R355 L360Q11-L357 HydrophobicContact CB-CB 4.47Å; Q11-L357 HydrophobicContact CB-CD1 3.97Å; L12-L357 HydrophobicContact CD2-CD1 3.61Å; L12-L357 HydrophobicContact CG-CD1 3.91Å; F15-L357 HydrophobicContact CB-CB 4.29Å; F15-L357 HydrophobicContact CB-CD2 4.28Å; F15-L357 HydrophobicContact CD1-CD2 4.47Å; F15-L357 HydrophobicContact CD2-CB 4.31Å; F15-L357 HydrophobicContact CD2-CD2 3.82Å; F15-L357 HydrophobicContact CE2-CD2 4.24Å; F15-L357 HydrophobicContact CG-CD2 3.94Å; L257-L357 HydrophobicContact CD2-CD2 4.3Å; L350-L357 HydrophobicContact CD2-CD1 4.38Å; L350-L357 HydrophobicContact CD2-CD2 3.51Å; L350-L357 HydrophobicContact CD2-CG 3.65Å; R355-L357 PolarHBondContact O-N 3.13Å; L357-L360 HydrophobicContact CD2-CD1 4.37Å; L357-L360 WeakPolarHBondContact O-CA 3.48Å
358E88.1Confident88.4Confident64 Ų6463.1 Ų63.130%0.29931%0.306SS..G310 helixtrans-75.3-35.7176.1-56.2-175.5166.900112.1Q11 R14 R355 A356Q11-E358 PolarHBondContact NE2-OE1 3.37Å; Q11-E358 PolarHBondContact OE1-OE1 3.41Å; R14-E358 IonicContact CZ-OE1 3.77Å; R14-E358 IonicContact NH1-OE1 2.8Å; R14-E358 PolarHBondContact NH1-OE1 2.8Å; R14-E358 IonicContact NH1-OE2 3.96Å; R355-E358 HydrophobicContact CB-CG 4.41Å; R355-E358 VanDerWaalsContact O-CB 3.31Å; R355-E358 WeakPolarHBondContact O-CB 3.44Å; R355-E358 VanDerWaalsContact O-CG 3.27Å; R355-E358 WeakPolarHBondContact O-CG 3.38Å; R355-E358 PolarHBondContact O-N 2.93Å; A356-E358 PolarHBondContact O-N 3.43Å
359T85.4Confident87.8Confident101 Ų10154.9 Ų54.962%0.6228%0.281SS*.THydrogen-bonded Turntrans-92.1-20.6173.853.60000112.1Y261 A356Y261-T359 PolarHBondContact OH-O 2.77Å; A356-T359 PolarHBondContact O-N 2.8Å; A356-T359 PolarHBondContact O-OG1 3.39Å
360L83.3Confident87.4Confident5 Ų552.9 Ų52.93%0.02627%0.273CS..  trans-21.50144.75.9139.7000117.9F15 R19 L257 R260 Y261 L346 L350 A356 L357F15-L360 HydrophobicContact CE2-CB 4.38Å; F15-L360 WeakPolarHBondContact CE2-OXT 3.32Å; R19-L360 PolarHBondContact NE-O 3.04Å; R19-L360 PolarHBondContact NH2-O 2.81Å; L257-L360 HydrophobicContact CD2-CB 4.43Å; L257-L360 HydrophobicContact CD2-CD1 4.46Å; R260-L360 VanDerWaalsContact CZ-OXT 3.28Å; R260-L360 PolarHBondContact NE-OXT 2.93Å; R260-L360 VanDerWaalsContact NH2-C 3.26Å; R260-L360 PolarHBondContact NH2-O 3.47Å; R260-L360 PolarHBondContact NH2-OXT 3.01Å; Y261-L360 HydrophobicContact CD1-CD2 3.6Å; Y261-L360 HydrophobicContact CD2-CB 4.26Å; Y261-L360 HydrophobicContact CD2-CD2 4.2Å; Y261-L360 HydrophobicContact CE1-CB 4.24Å; Y261-L360 HydrophobicContact CE1-CD2 3.14Å; Y261-L360 HydrophobicContact CE1-CG 4.26Å; Y261-L360 HydrophobicContact CE2-CB 3.48Å; Y261-L360 VanDerWaalsContact CE2-CB 3.48Å; Y261-L360 HydrophobicContact CE2-CD2 3.87Å; Y261-L360 HydrophobicContact CE2-CG 4.26Å; Y261-L360 WeakPolarHBondContact CE2-OXT 3.02Å; Y261-L360 HydrophobicContact CG-CD2 4.1Å; Y261-L360 VanDerWaalsContact CZ-CB 3.45Å; Y261-L360 VanDerWaalsContact CZ-OXT 3.3Å; Y261-L360 WeakPolarHBondContact OH-CA 3.5Å; Y261-L360 WeakPolarHBondContact OH-CB 3.43Å; Y261-L360 PolarHBondContact OH-OXT 3.45Å; L346-L360 HydrophobicContact CD1-CD1 3.62Å; L346-L360 HydrophobicContact CD1-CD2 4.25Å; L350-L360 HydrophobicContact CD2-CD1 3.71Å; L350-L360 HydrophobicContact CG-CD1 4.38Å; A356-L360 HydrophobicContact CB-CD1 4.2Å; A356-L360 VanDerWaalsContact O-CG 3.28Å; A356-L360 WeakPolarHBondContact O-CG 3.43Å; A356-L360 PolarHBondContact O-N 2.89Å; L357-L360 HydrophobicContact CD2-CD1 4.37Å; L357-L360 WeakPolarHBondContact O-CA 3.48Å

Retrieved 360 of 360 residues in 551.1 ms (Link to these results)

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