A0A060XW75_ONCMY Loading...

Selenide, water dikinase 1

Synthesizes selenophosphate from selenide and ATP.

AlphaFold DB (C0HA78), UniProt , Accession A0A060XW75, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110496527, Length 392 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
1M38Very low74.2Confident174 Ų17498.8 Ų98.886%0.85754%0.544SS*.  0137.30-73.9171.7-172.600107.8R101 E154M1-R101 VanDerWaalsContact CE-NH1 3.27Å; M1-E154 VanDerWaalsContact CE-OE2 3.24Å; M1-E154 WeakPolarHBondContact CE-OE2 3.11Å
2S33.7Very low76Confident115 Ų11596.4 Ų96.480%0.80452%0.522SS*.  trans-62.8137.8171.858.80000109R4S2-R4 PolarHBondContact O-N 3.03Å
3V49.4Very low77.6Confident146 Ų14697.9 Ų97.989%0.88552%0.523SS*.  trans-58.2107.2179.8-177.80000108.4
4R66.3Low79Confident85 Ų8591.9 Ų91.932%0.32149%0.491SS..PPolyproline II helixtrans-79.4125.8174.7-177.6166.6172.2-107.5-8.1107.7S2 D95 Y97S2-R4 PolarHBondContact O-N 3.03Å; R4-D95 IonicContact CZ-OD1 3.61Å; R4-D95 IonicContact CZ-OD2 3.3Å; R4-D95 IonicContact NH1-OD1 3.36Å; R4-D95 PolarHBondContact NH1-OD1 3.14Å; R4-D95 IonicContact NH1-OD2 2.65Å; R4-D95 PolarHBondContact NH1-OD2 3.39Å; R4-D95 IonicContact NH2-OD1 3.53Å; R4-D95 PolarHBondContact NH2-OD1 3.5Å; R4-D95 IonicContact NH2-OD2 3.39Å; R4-D95 PolarHBondContact NH2-OD2 3.3Å; R4-Y97 VanDerWaalsContact CZ-CB 3.43Å; R4-Y97 VanDerWaalsContact NH2-CB 3.33Å
5E71.2Confident80.2Confident171 Ų17193.6 Ų93.680%0.79950%0.5SS*.PPolyproline II helixtrans-60.3144.4173.5-69.2-177.2167.800110.3F7E5-F7 PolarHBondContact O-N 3.34Å
6S79.3Confident81.2Confident91 Ų9196.8 Ų96.864%0.63651%0.508SS*.PPolyproline II helixtrans-55.6135175.455.60000110.5N8S6-N8 PolarHBondContact O-N 3.09Å; S6-N8 VanDerWaalsContact O-N 3.16Å
7F93.4Very high82.1Confident32 Ų3295.2 Ų95.214%0.1451%0.507CS..PPolyproline II helixtrans-54.8120.6178.4175.2-102.6000112.2E5 P9 Y12 L14 F18 D94 D95 P96 L143E5-F7 PolarHBondContact O-N 3.34Å; F7-P9 HydrophobicContact CD1-CG 4.48Å; F7-P9 HydrophobicContact CE1-CB 4.5Å; F7-P9 HydrophobicContact CE1-CG 3.85Å; F7-P9 HydrophobicContact CZ-CG 4.44Å; F7-Y12 AromaticContact CD2-CD2 3.85Å; F7-Y12 HydrophobicContact CD2-CD2 3.85Å; F7-Y12 AromaticContact CD2-CE2 3.52Å; F7-Y12 HydrophobicContact CD2-CE2 3.52Å; F7-Y12 AromaticContact CE2-CD2 3.44Å; F7-Y12 HydrophobicContact CE2-CD2 3.44Å; F7-Y12 VanDerWaalsContact CE2-CD2 3.44Å; F7-Y12 AromaticContact CE2-CE2 3.59Å; F7-Y12 HydrophobicContact CE2-CE2 3.59Å; F7-Y12 HydrophobicContact CE2-CG 4.19Å; F7-Y12 HydrophobicContact CZ-CD2 4.37Å; F7-L14 HydrophobicContact CZ-CD1 4.36Å; F7-F18 HydrophobicContact CE1-CD1 4.11Å; F7-F18 HydrophobicContact CE1-CE1 4.28Å; F7-F18 HydrophobicContact CZ-CD1 4.26Å; F7-F18 HydrophobicContact CZ-CE1 4.26Å; F7-D94 WeakPolarHBondContact CD1-O 3.41Å; F7-D95 HydrophobicContact CB-CB 3.77Å; F7-P96 VanDerWaalsContact CD2-CD 3.45Å; F7-P96 HydrophobicContact CD2-CG 4.26Å; F7-P96 HydrophobicContact CE1-CG 4.29Å; F7-P96 HydrophobicContact CE2-CG 3.82Å; F7-P96 HydrophobicContact CZ-CG 3.84Å; F7-L143 HydrophobicContact CE2-CD1 4.09Å
8N94.9Very high82.9Confident66 Ų6690.2 Ų90.235%0.35348%0.48SS..  trans-115.5118170.4-178.8-7.6000109S6 E10 S11 Y12S6-N8 PolarHBondContact O-N 3.09Å; S6-N8 VanDerWaalsContact O-N 3.16Å; N8-E10 PolarHBondContact O-N 2.94Å; N8-E10 PolarHBondContact OD1-N 2.9Å; N8-E10 VanDerWaalsContact OD1-N 3.12Å; N8-S11 WeakPolarHBondContact O-CB 3.31Å; N8-S11 PolarHBondContact O-N 2.8Å; N8-S11 VanDerWaalsContact O-N 3.15Å; N8-Y12 WeakPolarHBondContact O-CD2 3.36Å
9P96.7Very high83.6Confident10 Ų1088.6 Ų88.67%0.06547%0.467CS..G310 helixtrans-52.1-38.5179.3-28.134.3000114.7F7 S11 Y12 E13 L14 D15 F18F7-P9 HydrophobicContact CD1-CG 4.48Å; F7-P9 HydrophobicContact CE1-CB 4.5Å; F7-P9 HydrophobicContact CE1-CG 3.85Å; F7-P9 HydrophobicContact CZ-CG 4.44Å; P9-S11 VanDerWaalsContact C-N 3.28Å; P9-S11 PolarHBondContact O-N 3.43Å; P9-Y12 CarbonylContact O-C 3.54Å; P9-Y12 PolarHBondContact O-N 3.36Å; P9-E13 PolarHBondContact O-N 3.06Å; P9-L14 HydrophobicContact CB-CB 3.96Å; P9-L14 WeakPolarHBondContact O-CB 3.45Å; P9-L14 PolarHBondContact O-N 3.1Å; P9-D15 VanDerWaalsContact CB-O 3.29Å; P9-D15 WeakPolarHBondContact CB-O 3.38Å; P9-F18 HydrophobicContact CB-CB 4.02Å; P9-F18 HydrophobicContact CG-CB 4.2Å; P9-F18 HydrophobicContact CG-CD1 4.43Å
10E96.6Very high84.3Confident109 Ų10984.2 Ų84.251%0.50944%0.443SS..G310 helixtrans-65.9-32.1-176-65.2-179.8117.600111.8N8 Y12 E13 K16N8-E10 PolarHBondContact O-N 2.94Å; N8-E10 PolarHBondContact OD1-N 2.9Å; N8-E10 VanDerWaalsContact OD1-N 3.12Å; E10-Y12 PolarHBondContact O-N 2.82Å; E10-Y12 VanDerWaalsContact O-N 3.15Å; E10-E13 PolarHBondContact O-N 3.01Å; E10-K16 HydrophobicContact CG-CB 4.05Å
11S96.4Very high84.8Confident88 Ų8880.4 Ų80.462%0.61542%0.424SS*.G310 helixtrans-63.9-16.9174.4-54.60000113.3N8 P9N8-S11 WeakPolarHBondContact O-CB 3.31Å; N8-S11 PolarHBondContact O-N 2.8Å; N8-S11 VanDerWaalsContact O-N 3.15Å; P9-S11 VanDerWaalsContact C-N 3.28Å; P9-S11 PolarHBondContact O-N 3.43Å
12Y96.2Very high87.5Confident70 Ų7079.6 Ų79.628%0.27541%0.411SS..G310 helixtrans-10914.5176.4-65.1-86.7000112.6F7 N8 P9 E10 L14 L143F7-Y12 AromaticContact CD2-CD2 3.85Å; F7-Y12 HydrophobicContact CD2-CD2 3.85Å; F7-Y12 AromaticContact CD2-CE2 3.52Å; F7-Y12 HydrophobicContact CD2-CE2 3.52Å; F7-Y12 AromaticContact CE2-CD2 3.44Å; F7-Y12 HydrophobicContact CE2-CD2 3.44Å; F7-Y12 VanDerWaalsContact CE2-CD2 3.44Å; F7-Y12 AromaticContact CE2-CE2 3.59Å; F7-Y12 HydrophobicContact CE2-CE2 3.59Å; F7-Y12 HydrophobicContact CE2-CG 4.19Å; F7-Y12 HydrophobicContact CZ-CD2 4.37Å; N8-Y12 WeakPolarHBondContact O-CD2 3.36Å; P9-Y12 CarbonylContact O-C 3.54Å; P9-Y12 PolarHBondContact O-N 3.36Å; E10-Y12 PolarHBondContact O-N 2.82Å; E10-Y12 VanDerWaalsContact O-N 3.15Å; Y12-L14 PolarHBondContact O-N 3.32Å; Y12-L143 HydrophobicContact CD1-CD1 4.01Å; Y12-L143 HydrophobicContact CE1-CD1 3.66Å; Y12-L143 HydrophobicContact CE1-CD2 3.89Å; Y12-L143 HydrophobicContact CE1-CG 4.29Å; Y12-L143 HydrophobicContact CE2-CD1 4.39Å
13E96.9Very high90.5Very high116 Ų11675 Ų7554%0.54238%0.377SS..THydrogen-bonded Turntrans61.127.3-175.4-49.6161.5-131.800113.7P9 E10 K135 K139P9-E13 PolarHBondContact O-N 3.06Å; E10-E13 PolarHBondContact O-N 3.01Å; E13-K135 WeakPolarHBondContact O-CE 3.47Å; E13-K135 PolarHBondContact O-NZ 2.76Å; E13-K139 IonicContact OE1-NZ 2.79Å; E13-K139 PolarHBondContact OE1-NZ 3.38Å; E13-K139 IonicContact OE2-NZ 3.42Å
14L97.4Very high92.5Very high13 Ų1368.3 Ų68.37%0.06834%0.336CS..  trans-96.4160.4174.5-55.3178000110.4F7 P9 Y12 F18 E136 K139 V140F7-L14 HydrophobicContact CZ-CD1 4.36Å; P9-L14 HydrophobicContact CB-CB 3.96Å; P9-L14 WeakPolarHBondContact O-CB 3.45Å; P9-L14 PolarHBondContact O-N 3.1Å; Y12-L14 PolarHBondContact O-N 3.32Å; L14-F18 HydrophobicContact CB-CB 4.3Å; L14-F18 HydrophobicContact CB-CG 4.49Å; L14-F18 HydrophobicContact CD1-CD1 4.06Å; L14-F18 HydrophobicContact CD1-CD2 4.38Å; L14-F18 HydrophobicContact CD1-CE1 4.28Å; L14-F18 HydrophobicContact CD1-CG 4.13Å; L14-E136 HydrophobicContact CD2-CB 4.42Å; L14-E136 HydrophobicContact CD2-CG 4.01Å; L14-K139 HydrophobicContact CD2-CB 4.1Å; L14-K139 HydrophobicContact CD2-CG 4.22Å; L14-V140 HydrophobicContact CD1-CG2 3.69Å
15D97.1Very high93.2Very high118 Ų11870.1 Ų70.163%0.63135%0.348SS*.  trans-59.1138.8171.7-89.7-64.6000110.9P9 S17 F18P9-D15 VanDerWaalsContact CB-O 3.29Å; P9-D15 WeakPolarHBondContact CB-O 3.38Å; D15-S17 PolarHBondContact O-N 3.09Å; D15-F18 WeakPolarHBondContact O-CB 3.36Å; D15-F18 PolarHBondContact O-N 3.42Å
16K95.9Very high93.2Very high145 Ų14565.9 Ų65.963%0.6333%0.331SS*.THydrogen-bonded Turntrans-54-26.8174.8-174.4175.5-179.3173.30113.4E10 F18 R19E10-K16 HydrophobicContact CG-CB 4.05Å; K16-F18 VanDerWaalsContact C-N 3.3Å; K16-R19 PolarHBondContact O-NH1 3.22Å; K16-R19 VanDerWaalsContact O-NH1 3.12Å
17S95.4Very high92.6Very high70 Ų7065.8 Ų65.849%0.4932%0.319SS..THydrogen-bonded Turntrans-82.8-1.5178740000114.4D15 R19 R22D15-S17 PolarHBondContact O-N 3.09Å; S17-R19 PolarHBondContact O-N 3.12Å; S17-R22 PolarHBondContact O-NH1 3.39Å
18F97.4Very high91.2Very high5 Ų564.8 Ų64.82%0.02232%0.318CS..  trans-62.1134.6176.3178.2-90.8000110.3F7 P9 L14 D15 K16 L20 F23 L132 E136 V140F7-F18 HydrophobicContact CE1-CD1 4.11Å; F7-F18 HydrophobicContact CE1-CE1 4.28Å; F7-F18 HydrophobicContact CZ-CD1 4.26Å; F7-F18 HydrophobicContact CZ-CE1 4.26Å; P9-F18 HydrophobicContact CB-CB 4.02Å; P9-F18 HydrophobicContact CG-CB 4.2Å; P9-F18 HydrophobicContact CG-CD1 4.43Å; L14-F18 HydrophobicContact CB-CB 4.3Å; L14-F18 HydrophobicContact CB-CG 4.49Å; L14-F18 HydrophobicContact CD1-CD1 4.06Å; L14-F18 HydrophobicContact CD1-CD2 4.38Å; L14-F18 HydrophobicContact CD1-CE1 4.28Å; L14-F18 HydrophobicContact CD1-CG 4.13Å; D15-F18 WeakPolarHBondContact O-CB 3.36Å; D15-F18 PolarHBondContact O-N 3.42Å; K16-F18 VanDerWaalsContact C-N 3.3Å; F18-L20 HydrophobicContact CE1-CB 4.36Å; F18-L20 HydrophobicContact CZ-CD1 4.4Å; F18-F23 HydrophobicContact CD2-CE2 4.31Å; F18-F23 AromaticContact CE2-CE2 3.54Å; F18-F23 HydrophobicContact CE2-CE2 3.54Å; F18-F23 HydrophobicContact CE2-CZ 4.08Å; F18-F23 AromaticContact CZ-CE2 3.99Å; F18-F23 HydrophobicContact CZ-CE2 3.99Å; F18-L132 HydrophobicContact CE2-CD2 4.01Å; F18-E136 HydrophobicContact CD2-CG 4.03Å; F18-E136 WeakPolarHBondContact CD2-OE1 3.46Å; F18-E136 HydrophobicContact CE2-CB 4.16Å; F18-E136 HydrophobicContact CE2-CG 4.04Å; F18-V140 HydrophobicContact CE1-CG2 3.92Å; F18-V140 HydrophobicContact CE2-CG2 4.07Å; F18-V140 HydrophobicContact CZ-CB 4.43Å; F18-V140 HydrophobicContact CZ-CG1 4.16Å; F18-V140 HydrophobicContact CZ-CG2 3.45Å; F18-V140 VanDerWaalsContact CZ-CG2 3.45Å
19R96.5Very high89.6Confident60 Ų6067 Ų6723%0.22633%0.334CS..  trans-144123.8175.1-65.9-65.8-178.5-90.50.1107.6K16 S17 T21 R22 D94 D216K16-R19 PolarHBondContact O-NH1 3.22Å; K16-R19 VanDerWaalsContact O-NH1 3.12Å; S17-R19 PolarHBondContact O-N 3.12Å; R19-T21 PolarHBondContact O-N 3.44Å; R19-R22 HydrophobicContact CB-CB 4.47Å; R19-R22 HydrophobicContact CB-CG 3.79Å; R19-R22 WeakPolarHBondContact O-CB 3.46Å; R19-R22 PolarHBondContact O-N 2.91Å; R19-D94 WeakPolarHBondContact CA-OD1 3.43Å; R19-D94 WeakPolarHBondContact CB-OD1 3.3Å; R19-D94 WeakPolarHBondContact CD-OD2 3.4Å; R19-D216 IonicContact CZ-OD2 2.9Å; R19-D216 IonicContact NE-OD2 2.79Å; R19-D216 PolarHBondContact NE-OD2 3.39Å; R19-D216 IonicContact NH2-OD1 2.75Å; R19-D216 PolarHBondContact NH2-OD1 3.41Å; R19-D216 IonicContact NH2-OD2 3.59Å; R19-D216 PolarHBondContact NH2-OD2 3.35Å
20L97.3Very high88.5Confident0 Ų067.6 Ų67.60%034%0.341CS..G310 helixtrans-63.4-33.4177.1-172.163000110.8F18 R22 F23 P91 D94 P96 M99 V140 I144 V170F18-L20 HydrophobicContact CE1-CB 4.36Å; F18-L20 HydrophobicContact CZ-CD1 4.4Å; L20-R22 PolarHBondContact O-N 3.02Å; L20-R22 VanDerWaalsContact O-N 3.1Å; L20-F23 HydrophobicContact CD1-CD2 4.41Å; L20-F23 WeakPolarHBondContact O-CD2 3.4Å; L20-F23 PolarHBondContact O-N 3.12Å; L20-F23 VanDerWaalsContact O-N 3.09Å; L20-P91 HydrophobicContact CB-CB 4.46Å; L20-P91 HydrophobicContact CD1-CG 4.35Å; L20-P91 HydrophobicContact CD2-CB 4.14Å; L20-P91 HydrophobicContact CD2-CG 4.31Å; L20-P91 HydrophobicContact CG-CB 3.73Å; L20-P91 HydrophobicContact CG-CG 3.84Å; L20-D94 PolarHBondContact N-OD1 3.35Å; L20-P96 HydrophobicContact CD2-CB 4.26Å; L20-P96 HydrophobicContact CD2-CG 4.49Å; L20-M99 HydrophobicContact CD2-CB 3.93Å; L20-M99 HydrophobicContact CD2-CG 3.95Å; L20-V140 HydrophobicContact CD1-CG1 3.71Å; L20-I144 HydrophobicContact CD1-CD1 4.34Å; L20-I144 HydrophobicContact CD2-CD1 4.15Å; L20-V170 HydrophobicContact CD1-CG2 4.46Å
21T95.7Very high87.9Confident5 Ų564.7 Ų64.73%0.03133%0.332CS..G310 helixtrans-69-1.3177.960.30000114.6R19 K27 D94 Q213R19-T21 PolarHBondContact O-N 3.44Å; T21-K27 PolarHBondContact O-NZ 3.3Å; T21-K27 VanDerWaalsContact O-NZ 3.12Å; T21-D94 WeakPolarHBondContact CB-OD1 3.38Å; T21-D94 VanDerWaalsContact CG2-OD1 3.3Å; T21-D94 WeakPolarHBondContact CG2-OD1 3.36Å; T21-D94 PolarHBondContact N-OD1 3Å; T21-D94 PolarHBondContact OG1-OD1 3.02Å; T21-D94 PolarHBondContact OG1-OD2 3.29Å; T21-Q213 HydrophobicContact CG2-CG 4.35Å
22R94.6Very high87.5Confident157 Ų15764 Ų6459%0.59232%0.318SS*.G310 helixtrans-82.5-16.1169-73.2172.269.8-178.8-0.5113.3S17 R19 L20 T24S17-R22 PolarHBondContact O-NH1 3.39Å; R19-R22 HydrophobicContact CB-CB 4.47Å; R19-R22 HydrophobicContact CB-CG 3.79Å; R19-R22 WeakPolarHBondContact O-CB 3.46Å; R19-R22 PolarHBondContact O-N 2.91Å; L20-R22 PolarHBondContact O-N 3.02Å; L20-R22 VanDerWaalsContact O-N 3.1Å; R22-T24 PolarHBondContact O-N 3.39Å
23F95.4Very high87.2Confident18 Ų1864 Ų648%0.07933%0.326CS..SBendtrans-92.634.3179.5-55.1-73.7000112.5F18 L20 S129 K131 L132 W169 V170F18-F23 HydrophobicContact CD2-CE2 4.31Å; F18-F23 AromaticContact CE2-CE2 3.54Å; F18-F23 HydrophobicContact CE2-CE2 3.54Å; F18-F23 HydrophobicContact CE2-CZ 4.08Å; F18-F23 AromaticContact CZ-CE2 3.99Å; F18-F23 HydrophobicContact CZ-CE2 3.99Å; L20-F23 HydrophobicContact CD1-CD2 4.41Å; L20-F23 WeakPolarHBondContact O-CD2 3.4Å; L20-F23 PolarHBondContact O-N 3.12Å; L20-F23 VanDerWaalsContact O-N 3.09Å; F23-S129 WeakPolarHBondContact CD1-OG 3.47Å; F23-K131 HydrophobicContact CD1-CB 4.07Å; F23-K131 HydrophobicContact CE1-CB 4.12Å; F23-L132 HydrophobicContact CD1-CD2 4.3Å; F23-L132 HydrophobicContact CD1-CG 4.04Å; F23-L132 HydrophobicContact CD2-CD2 3.95Å; F23-L132 HydrophobicContact CD2-CG 4.35Å; F23-L132 HydrophobicContact CE1-CD2 3.77Å; F23-L132 HydrophobicContact CE1-CG 3.81Å; F23-L132 HydrophobicContact CE2-CD2 3.41Å; F23-L132 VanDerWaalsContact CE2-CD2 3.41Å; F23-L132 HydrophobicContact CE2-CG 4.18Å; F23-L132 HydrophobicContact CG-CD2 4.37Å; F23-L132 HydrophobicContact CG-CG 4.29Å; F23-L132 HydrophobicContact CZ-CD2 3.29Å; F23-L132 HydrophobicContact CZ-CG 3.89Å; F23-W169 CarbonylContact O-C 3.35Å; F23-W169 WeakPolarHBondContact O-CA 3.5Å; F23-W169 VanDerWaalsContact O-CB 3.23Å; F23-W169 WeakPolarHBondContact O-CB 3.43Å; F23-V170 HydrophobicContact CB-CB 4.39Å; F23-V170 HydrophobicContact CB-CG2 3.77Å; F23-V170 HydrophobicContact CG-CG2 4.41Å; F23-V170 PolarHBondContact O-N 3.36Å
24T92.2Very high86.8Confident6 Ų662.1 Ų62.14%0.03732%0.324CS..  trans-158.4152.9167.3-176.20000109.5R22 Y90 P91R22-T24 PolarHBondContact O-N 3.39Å; T24-Y90 WeakPolarHBondContact OG1-CB 3.45Å; T24-P91 WeakPolarHBondContact CG2-O 3Å
25E81.3Confident86.3Confident123 Ų12363.1 Ų63.158%0.57533%0.328SS*.  trans-114.4-20.5-178.7-67.9171.7-154.400113.3K27 K131 W169E25-K27 PolarHBondContact O-N 3.44Å; E25-K131 IonicContact OE1-NZ 3.14Å; E25-K131 PolarHBondContact OE1-NZ 2.97Å; E25-K131 VanDerWaalsContact OE1-NZ 3.08Å; E25-W169 HydrophobicContact CB-CZ2 3.81Å; E25-W169 HydrophobicContact CG-CZ2 4.37Å
26L69.7Low85.8Confident81 Ų8161.9 Ų61.942%0.42432%0.321SS..  trans-74.5108.9179.5-63175.9000109.7C31 Y90 W169L26-C31 HydrophobicContact CB-CB 4Å; L26-C31 HydrophobicContact CD1-CB 3.61Å; L26-C31 HydrophobicContact CG-CB 4.46Å; L26-Y90 HydrophobicContact CD1-CE2 4.32Å; L26-W169 HydrophobicContact CD1-CH2 3.79Å; L26-W169 HydrophobicContact CD1-CZ3 3.5Å; L26-W169 HydrophobicContact CD2-CH2 4.24Å; L26-W169 HydrophobicContact CG-CH2 3.6Å; L26-W169 HydrophobicContact CG-CZ3 3.75Å
27K67.8Low85.6Confident89 Ų8957.8 Ų57.839%0.38731%0.308SS..  trans-135.1148.3-176.6-58.7-176.9-175.4-150.80110.4T21 E25T21-K27 PolarHBondContact O-NZ 3.3Å; T21-K27 VanDerWaalsContact O-NZ 3.12Å; E25-K27 PolarHBondContact O-N 3.44Å
28G63.6Low85.4Confident12 Ų1257.5 Ų57.512%0.12430%0.301CS..SBendtrans100.3-81.2171.900000113.8G30 Q206G28-G30 VanDerWaalsContact C-N 3.29Å; G28-G30 PolarHBondContact O-N 2.96Å; G28-Q206 WeakPolarHBondContact O-CG 3.41Å
29T61.1Low84.9Confident113 Ų11361.8 Ų61.869%0.69332%0.321SS*.SBendtrans-89.814.3-176.857.30000113.7P318T29-P318 VanDerWaalsContact O-CG 3.25Å; T29-P318 WeakPolarHBondContact O-CG 3.45Å
30G74.5Confident84.6Confident21 Ų2165.2 Ų65.222%0.21634%0.337CS..  trans83.2-179.2-178.600000113G28G28-G30 VanDerWaalsContact C-N 3.29Å; G28-G30 PolarHBondContact O-N 2.96Å
31C82.6Confident84.3Confident48 Ų4871.1 Ų71.132%0.32437%0.368SS..SBendtrans-116.9-6.3-176.360.70000114.1L26 Y90L26-C31 HydrophobicContact CB-CB 4Å; L26-C31 HydrophobicContact CD1-CB 3.61Å; L26-C31 HydrophobicContact CG-CB 4.46Å; C31-Y90 HydrophobicContact CB-CD2 3.72Å; C31-Y90 HydrophobicContact CB-CE2 3.7Å
32K88.3Confident84Confident74 Ų7473.2 Ų73.232%0.32238%0.379SS..SBendtrans-69.8140.6177.1-68.3-163.4174.4-174.50109.3D87 F269K32-D87 IonicContact NZ-OD1 3.18Å; K32-D87 IonicContact NZ-OD2 3.42Å; K32-D87 PolarHBondContact NZ-OD2 3.38Å; K32-F269 HydrophobicContact CB-CE1 4.08Å
33V89.6Confident83.7Confident71 Ų7170.9 Ų70.943%0.4338%0.375SS..PPolyproline II helixtrans-57.4132.5167.8175.80000107.7V37 L38 F269V33-V37 HydrophobicContact CG1-CB 3.89Å; V33-V37 HydrophobicContact CG1-CG1 3.72Å; V33-L38 HydrophobicContact CG1-CB 4.33Å; V33-F269 WeakPolarHBondContact O-CE1 3.3Å
34P89.5Confident83.2Confident76 Ų7673 Ų7349%0.49440%0.396SS..PPolyproline II helixtrans-51.8142.9-179.6-28.535.6000112.3D36 V37 L38P34-D36 VanDerWaalsContact C-N 3.31Å; P34-D36 WeakPolarHBondContact CB-OD1 3.46Å; P34-D36 PolarHBondContact O-N 3.45Å; P34-V37 HydrophobicContact CB-CB 4.46Å; P34-V37 HydrophobicContact CB-CG2 4.18Å; P34-V37 WeakPolarHBondContact O-CB 3.44Å; P34-V37 PolarHBondContact O-N 3.42Å; P34-L38 PolarHBondContact O-N 2.94Å
35Q86.6Confident82.9Confident34 Ų3477.3 Ų77.316%0.15942%0.418CS..Hα-helixtrans-57.5-41.5-170.1-171.4179.827.700113.2V37 L38 Q39 F269 T277Q35-V37 VanDerWaalsContact C-N 3.34Å; Q35-V37 PolarHBondContact O-N 3.17Å; Q35-L38 PolarHBondContact O-N 3.06Å; Q35-Q39 VanDerWaalsContact O-CG 3.31Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3Å; Q35-F269 HydrophobicContact CB-CD1 4.22Å; Q35-F269 HydrophobicContact CB-CE1 4.01Å; Q35-F269 HydrophobicContact CB-CE2 4.31Å; Q35-F269 HydrophobicContact CB-CG 4.48Å; Q35-F269 HydrophobicContact CB-CZ 4.06Å; Q35-F269 HydrophobicContact CG-CE2 4.24Å; Q35-F269 HydrophobicContact CG-CZ 4.37Å; Q35-T277 PolarHBondContact NE2-OG1 3.28Å
36D87.3Confident82.4Confident91 Ų9176 Ų7649%0.48741%0.412SS..Hα-helixtrans-68.2-32179.466.2-52.2000112.8P34 K40P34-D36 VanDerWaalsContact C-N 3.31Å; P34-D36 WeakPolarHBondContact CB-OD1 3.46Å; P34-D36 PolarHBondContact O-N 3.45Å; D36-K40 WeakPolarHBondContact O-CG 3.47Å
37V92.2Very high81.9Confident60 Ų6079.8 Ų79.836%0.36443%0.428SS..Hα-helixtrans-74-44.5173.7179.30000110.2V33 P34 Q35 Q39 K40 L41V33-V37 HydrophobicContact CG1-CB 3.89Å; V33-V37 HydrophobicContact CG1-CG1 3.72Å; P34-V37 HydrophobicContact CB-CB 4.46Å; P34-V37 HydrophobicContact CB-CG2 4.18Å; P34-V37 WeakPolarHBondContact O-CB 3.44Å; P34-V37 PolarHBondContact O-N 3.42Å; Q35-V37 VanDerWaalsContact C-N 3.34Å; Q35-V37 PolarHBondContact O-N 3.17Å; V37-Q39 PolarHBondContact O-N 3Å; V37-K40 PolarHBondContact O-N 3.47Å; V37-L41 HydrophobicContact CG1-CD1 4.1Å; V37-L41 WeakPolarHBondContact O-CG 3.49Å; V37-L41 PolarHBondContact O-N 3.46Å; V37-L41 VanDerWaalsContact O-N 3.12Å
38L89.8Confident81Confident63 Ų6381.8 Ų81.833%0.3344%0.443SS..Hα-helixtrans-59.9-46.5178.9-179.763.7000111.4V33 P34 Q35 K40 L41 L42 F269V33-L38 HydrophobicContact CG1-CB 4.33Å; P34-L38 PolarHBondContact O-N 2.94Å; Q35-L38 PolarHBondContact O-N 3.06Å; L38-K40 VanDerWaalsContact C-N 3.29Å; L38-K40 PolarHBondContact O-N 3.16Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-L41 VanDerWaalsContact O-N 3.16Å; L38-L42 HydrophobicContact CD1-CD1 3.8Å; L38-L42 HydrophobicContact CD1-CG 4.11Å; L38-L42 HydrophobicContact CG-CD1 3.87Å; L38-L42 HydrophobicContact CG-CG 4.47Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.01Å; L38-F269 HydrophobicContact CD2-CZ 4.34Å
39Q87Confident80.5Confident95 Ų9585.7 Ų85.744%0.44446%0.458SS..Hα-helixtrans-56.6-43.4178.9-76.5173.3-5.400111.9Q35 V37 L42 E43Q35-Q39 VanDerWaalsContact O-CG 3.31Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3Å; V37-Q39 PolarHBondContact O-N 3Å; Q39-L42 PolarHBondContact O-N 3.45Å; Q39-E43 PolarHBondContact O-N 3.49Å
40K90.2Very high79.9Confident132 Ų13289.7 Ų89.757%0.57446%0.461SS*.Hα-helixtrans-64.8-40.8177.4-69.5171.3-176.3169.60113D36 V37 L38 L42 E43D36-K40 WeakPolarHBondContact O-CG 3.47Å; V37-K40 PolarHBondContact O-N 3.47Å; L38-K40 VanDerWaalsContact C-N 3.29Å; L38-K40 PolarHBondContact O-N 3.16Å; K40-L42 PolarHBondContact O-N 3.48Å; K40-E43 WeakPolarHBondContact CA-OE1 3.34Å; K40-E43 WeakPolarHBondContact O-CG 3.26Å; K40-E43 PolarHBondContact O-N 2.87Å
41L91.4Very high78.7Confident124 Ų12497.1 Ų97.165%0.64949%0.49SS*.Hα-helixtrans-66.8-24179.6-70.2172.4000113V37 L38V37-L41 HydrophobicContact CG1-CD1 4.1Å; V37-L41 WeakPolarHBondContact O-CG 3.49Å; V37-L41 PolarHBondContact O-N 3.46Å; V37-L41 VanDerWaalsContact O-N 3.12Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-L41 VanDerWaalsContact O-N 3.16Å
42L90Very high77.4Confident49 Ų49102.3 Ų102.326%0.25751%0.51SS..THydrogen-bonded Turntrans-96.71.5-177.2-60.1176.9000113.8L38 Q39 K40 A44 L45 Q46 I66L38-L42 HydrophobicContact CD1-CD1 3.8Å; L38-L42 HydrophobicContact CD1-CG 4.11Å; L38-L42 HydrophobicContact CG-CD1 3.87Å; L38-L42 HydrophobicContact CG-CG 4.47Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.01Å; Q39-L42 PolarHBondContact O-N 3.45Å; K40-L42 PolarHBondContact O-N 3.48Å; L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 3.49Å; L42-L45 HydrophobicContact CD2-CD1 3.93Å; L42-L45 WeakPolarHBondContact O-CB 3.12Å; L42-L45 PolarHBondContact O-N 3.33Å; L42-Q46 PolarHBondContact O-N 3.14Å; L42-I66 HydrophobicContact CD1-CG2 4.08Å
43E87.8Confident76.2Confident108 Ų108103 Ų10351%0.50552%0.517SS..Hα-helixtrans-52.2-43.6-177.7-74.5172.3-174.400112.3Q39 K40 L45 Q46 E47Q39-E43 PolarHBondContact O-N 3.49Å; K40-E43 WeakPolarHBondContact CA-OE1 3.34Å; K40-E43 WeakPolarHBondContact O-CG 3.26Å; K40-E43 PolarHBondContact O-N 2.87Å; E43-L45 PolarHBondContact O-N 3.24Å; E43-L45 VanDerWaalsContact O-N 3.16Å; E43-Q46 WeakPolarHBondContact O-CB 3.13Å; E43-Q46 PolarHBondContact O-N 3.45Å; E43-E47 PolarHBondContact O-N 3.1Å
44A85.7Confident74.8Confident64 Ų64103.8 Ų103.853%0.52952%0.516SS..Hα-helixtrans-62.8-23.9-179.900000114.4L42 N48L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 3.49Å; A44-N48 PolarHBondContact O-ND2 3.47Å
45L83.9Confident73.3Confident95 Ų95107.9 Ų107.950%0.49753%0.529SS..Hα-helixtrans-80.2-31174.2-63175000111.2L42 E43 H49 I66L42-L45 HydrophobicContact CD2-CD1 3.93Å; L42-L45 WeakPolarHBondContact O-CB 3.12Å; L42-L45 PolarHBondContact O-N 3.33Å; E43-L45 PolarHBondContact O-N 3.24Å; E43-L45 VanDerWaalsContact O-N 3.16Å; L45-H49 PolarHBondContact O-CD2 3.23Å; L45-I66 HydrophobicContact CB-CD1 3.64Å; L45-I66 HydrophobicContact CD1-CD1 3.79Å; L45-I66 HydrophobicContact CG-CD1 4.38Å
46Q71.2Confident71.9Confident97 Ų97109.7 Ų109.745%0.45354%0.536SS..Hα-helixtrans-72.7-29.1-179.5-64.6-177.8-23.100112.6L42 E43 N48L42-Q46 PolarHBondContact O-N 3.14Å; E43-Q46 WeakPolarHBondContact O-CB 3.13Å; E43-Q46 PolarHBondContact O-N 3.45Å; Q46-N48 PolarHBondContact O-N 3.18Å
47E59.2Low70.4Confident160 Ų160113.1 Ų113.175%0.74855%0.553SS**THydrogen-bonded Turntrans-63.3-21178.8-69.5-179.2170.700114.2E43E43-E47 PolarHBondContact O-N 3.1Å
48N50.6Low68.8Low131 Ų131113.8 Ų113.870%0.70157%0.572SS**THydrogen-bonded Turntrans-107.79.4-172.5-70.5-59000114.7A44 Q46A44-N48 PolarHBondContact O-ND2 3.47Å; Q46-N48 PolarHBondContact O-N 3.18Å
49H51.5Low67.4Low94 Ų94113.6 Ų113.644%0.43558%0.58SS.*  trans-97.7119.1-176.9-87.7-69.9000113.5L45 Q51L45-H49 PolarHBondContact O-CD2 3.23Å; H49-Q51 PolarHBondContact O-N 3.28Å
50Y48.7Very low66.7Low197 Ų197113.1 Ų113.177%0.77358%0.584SS**  trans-61.196.8156.3-64.8-91.8000108.4E52 R63Y50-E52 PolarHBondContact O-N 3.09Å; Y50-R63 WeakPolarHBondContact O-CD 3.27Å
51Q50.3Low66.3Low177 Ų177107.3 Ų107.383%0.82756%0.559SS**  trans-82.426.4171.7-69.3-172.3-19.800112H49H49-Q51 PolarHBondContact O-N 3.28Å
52E55.4Low66.2Low156 Ų156103.1 Ų103.173%0.72954%0.539SS*.SBendtrans-100.9132.7177.7-67.4-174.8177.900108.9Y50Y50-E52 PolarHBondContact O-N 3.09Å
53D62.1Low66.3Low88 Ų88103.6 Ų103.647%0.47154%0.537SS..PPolyproline II helixtrans-58.3136.9171.6-66.3-33.1000109.7V60 P62D53-V60 HydrophobicContact CB-CG1 3.19Å; D53-V60 VanDerWaalsContact OD2-CG1 3.27Å; D53-V60 WeakPolarHBondContact OD2-CG1 3.47Å; D53-P62 WeakPolarHBondContact OD1-CA 3.46Å
54E61Low66.6Low89 Ų8998.9 Ų98.942%0.41652%0.515SS..EExtended strand (participates in β ladder)trans-83.4132.5178.2-87.5179.2-160.200110.7M61 R63E54-M61 PolarHBondContact N-O 3.12Å; E54-M61 PolarHBondContact O-N 3.28Å; E54-R63 IonicContact OE1-CZ 2.79Å; E54-R63 IonicContact OE1-NH2 2.89Å; E54-R63 PolarHBondContact OE1-NH2 3.49Å; E54-R63 IonicContact OE2-NH2 3.41Å
55Q58.6Low66.8Low162 Ų16297.3 Ų97.376%0.75751%0.505SS*.EExtended strand (participates in β ladder)trans-83.8116.6170.2-71.51806.300109.8A59Q55-A59 WeakPolarHBondContact CA-O 3.3Å
56F56.3Low67.1Low71 Ų7196.5 Ų96.531%0.31150%0.5SS..EExtended strand (participates in β ladder)trans-119118.5169-173.1-97.6000109.3G58 A59 M61F56-G58 PolarHBondContact O-N 3.42Å; F56-G58 VanDerWaalsContact O-N 3.08Å; F56-A59 PolarHBondContact N-O 2.92Å; F56-A59 PolarHBondContact O-N 3.46Å; F56-M61 HydrophobicContact CB-CE 3.61Å; F56-M61 HydrophobicContact CB-SD 4.49Å; F56-M61 HydrophobicContact CG-CE 4.16Å
57L54.7Low68Low163 Ų16394 Ų9485%0.85350%0.501SS*.THydrogen-bonded Turntrans50.733.5-179.2-61.4173.5000114.2
58G58.6Low69.6Low74 Ų7487.7 Ų87.776%0.76347%0.472SS*.THydrogen-bonded Turntrans84.7-0.7179.600000115.5F56F56-G58 PolarHBondContact O-N 3.42Å; F56-G58 VanDerWaalsContact O-N 3.08Å
59A61.7Low71.7Confident59 Ų5982.3 Ų82.349%0.48844%0.443SS..EExtended strand (participates in β ladder)trans-99.2135.4170.200000110.6Q55 F56Q55-A59 WeakPolarHBondContact CA-O 3.3Å; F56-A59 PolarHBondContact N-O 2.92Å; F56-A59 PolarHBondContact O-N 3.46Å
60V71.8Confident73.9Confident86 Ų8678 Ų7852%0.52142%0.424SS..EExtended strand (participates in β ladder)trans-81.3114.8175.8179.20000107.9D53D53-V60 HydrophobicContact CB-CG1 3.19Å; D53-V60 VanDerWaalsContact OD2-CG1 3.27Å; D53-V60 WeakPolarHBondContact OD2-CG1 3.47Å
61M82.5Confident76.2Confident10 Ų1070 Ų705%0.04940%0.396CS..EExtended strand (participates in β ladder)trans-94.5120.5177-69.8-157.4-73.200110.3E54 F56 P74E54-M61 PolarHBondContact N-O 3.12Å; E54-M61 PolarHBondContact O-N 3.28Å; F56-M61 HydrophobicContact CB-CE 3.61Å; F56-M61 HydrophobicContact CB-SD 4.49Å; F56-M61 HydrophobicContact CG-CE 4.16Å; M61-P74 HydrophobicContact CB-CB 4.11Å; M61-P74 HydrophobicContact CB-CG 3.95Å; M61-P74 HydrophobicContact CE-CB 3.59Å; M61-P74 HydrophobicContact SD-CB 4.29Å
62P88.9Confident78.5Confident36 Ų3661.6 Ų61.623%0.23436%0.357CS..  trans-65.8139.6-17828-34.5000110.9D53 F185 M187D53-P62 WeakPolarHBondContact OD1-CA 3.46Å; P62-F185 HydrophobicContact CG-CE2 3.79Å; P62-F185 HydrophobicContact CG-CZ 3.94Å; P62-M187 HydrophobicContact CB-CE 3.96Å; P62-M187 HydrophobicContact CB-CG 4.02Å; P62-M187 HydrophobicContact CB-SD 3.86Å; P62-M187 HydrophobicContact CG-CG 4.12Å; P62-M187 HydrophobicContact CG-SD 4.13Å
63R92.1Very high80.4Confident59 Ų5956.3 Ų56.322%0.22333%0.333CS..  trans-114.6139.3174.1179-177.4-71.8-76.13.8109.9Y50 E54 V72 P74Y50-R63 WeakPolarHBondContact O-CD 3.27Å; E54-R63 IonicContact OE1-CZ 2.79Å; E54-R63 IonicContact OE1-NH2 2.89Å; E54-R63 PolarHBondContact OE1-NH2 3.49Å; E54-R63 IonicContact OE2-NH2 3.41Å; R63-V72 WeakPolarHBondContact CA-O 3.49Å; R63-P74 HydrophobicContact CB-CG 4.45Å
64L92.9Very high82Confident9 Ų952.5 Ų52.55%0.04731%0.313CS..BIsolated β-bridgetrans-128.6120.1172.4-166.260.1000109.8M68 C71 V72 M114 M187 P188L64-M68 HydrophobicContact CD1-CB 4.28Å; L64-M68 HydrophobicContact CD1-CG 4.02Å; L64-M68 HydrophobicContact CD2-CB 3.82Å; L64-M68 HydrophobicContact CD2-CG 4.26Å; L64-M68 HydrophobicContact CG-CB 4.22Å; L64-C71 CarbonylContact O-C 3.54Å; L64-C71 VanDerWaalsContact O-CA 3.26Å; L64-C71 WeakPolarHBondContact O-CA 3.36Å; L64-C71 WeakPolarHBondContact O-CB 3.27Å; L64-V72 HydrophobicContact CB-CB 3.76Å; L64-V72 HydrophobicContact CB-CG2 3.85Å; L64-V72 HydrophobicContact CD2-CG2 4.28Å; L64-V72 PolarHBondContact N-O 3.44Å; L64-V72 PolarHBondContact O-N 3.18Å; L64-M114 HydrophobicContact CD2-CE 3.95Å; L64-M114 HydrophobicContact CD2-SD 4.1Å; L64-M187 HydrophobicContact CB-CE 4.31Å; L64-M187 HydrophobicContact CD1-CE 4.47Å; L64-P188 HydrophobicContact CD2-CG 4.09Å
65G90.4Very high83.5Confident30 Ų3050.6 Ų50.631%0.30931%0.305SS..  trans-101.9-151.9178.600000112.6G67G65-G67 PolarHBondContact O-N 2.79Å
66I91Very high85.1Confident78 Ų7853.8 Ų53.840%0.431%0.311SS..THydrogen-bonded Turntrans-61.3128.2176.7-60.2174.4000110L42 L45L42-I66 HydrophobicContact CD1-CG2 4.08Å; L45-I66 HydrophobicContact CB-CD1 3.64Å; L45-I66 HydrophobicContact CD1-CD1 3.79Å; L45-I66 HydrophobicContact CG-CD1 4.38Å
67G89Confident86.7Confident46 Ų4657 Ų5747%0.47433%0.326SS..THydrogen-bonded Turntrans144.3-19.7171.100000115G65 T277G65-G67 PolarHBondContact O-N 2.79Å; G67-T277 VanDerWaalsContact O-CG2 3.29Å; G67-T277 WeakPolarHBondContact O-CG2 3.48Å
68M93.8Very high88.2Confident26 Ų2652 Ų5213%0.12831%0.314CS..SBendtrans-124.4-179.8179.2-68.1-55.6-56.400111.5L64 T70 P188 T277 L278 Q281L64-M68 HydrophobicContact CD1-CB 4.28Å; L64-M68 HydrophobicContact CD1-CG 4.02Å; L64-M68 HydrophobicContact CD2-CB 3.82Å; L64-M68 HydrophobicContact CD2-CG 4.26Å; L64-M68 HydrophobicContact CG-CB 4.22Å; M68-T70 VanDerWaalsContact C-N 3.33Å; M68-T70 PolarHBondContact O-N 3.39Å; M68-P188 HydrophobicContact CE-CB 3.97Å; M68-P188 HydrophobicContact CE-CG 3.94Å; M68-P188 HydrophobicContact CG-CG 4.23Å; M68-T277 HydrophobicContact SD-CG2 3.96Å; M68-L278 HydrophobicContact CE-CD1 3.89Å; M68-Q281 HydrophobicContact CG-CB 4.47Å; M68-Q281 HydrophobicContact CG-CG 3.81Å; M68-Q281 HydrophobicContact SD-CB 3.69Å; M68-Q281 HydrophobicContact SD-CG 3.68Å
69D95.4Very high89.7Confident19 Ų1949 Ų4910%0.10228%0.284CS..SBendtrans-63.5-33.8-170.7-52.1-55.2000113T85 D110 A113 T264D69-T85 PolarHBondContact O-OG1 3.43Å; D69-D110 HydrophobicContact CB-CB 3.95Å; D69-D110 WeakPolarHBondContact O-CB 3.39Å; D69-A113 HydrophobicContact CB-CB 4.15Å; D69-T264 VanDerWaalsContact CG-OG1 3.31Å; D69-T264 PolarHBondContact OD1-OG1 3.44Å; D69-T264 VanDerWaalsContact OD2-CA 3.26Å; D69-T264 WeakPolarHBondContact OD2-CA 3.32Å; D69-T264 WeakPolarHBondContact OD2-CB 3.15Å; D69-T264 PolarHBondContact OD2-OG1 3.2Å
70T97.4Very high91.4Very high4 Ų448.2 Ų48.23%0.02527%0.271CS..SBendtrans-128164.5173.6790000110.9M68 V83 Q84 D110 L111 M114M68-T70 VanDerWaalsContact C-N 3.33Å; M68-T70 PolarHBondContact O-N 3.39Å; T70-V83 HydrophobicContact CG2-CG1 4.12Å; T70-Q84 WeakPolarHBondContact CA-O 3.21Å; T70-Q84 WeakPolarHBondContact CB-O 3.31Å; T70-D110 HydrophobicContact CG2-CB 4.13Å; T70-D110 VanDerWaalsContact CG2-O 3.22Å; T70-D110 WeakPolarHBondContact CG2-O 3.38Å; T70-L111 HydrophobicContact CG2-CD2 4.14Å; T70-M114 HydrophobicContact CG2-CG 3.62Å; T70-M114 VanDerWaalsContact OG1-CG 3.31Å; T70-M114 WeakPolarHBondContact OG1-CG 3.4Å
71C97.1Very high92.6Very high28 Ų2844.2 Ų44.219%0.18925%0.247CC..EExtended strand (participates in β ladder)trans-89155.915470.80000110.9L64 I73 V83 Q84L64-C71 CarbonylContact O-C 3.54Å; L64-C71 VanDerWaalsContact O-CA 3.26Å; L64-C71 WeakPolarHBondContact O-CA 3.36Å; L64-C71 WeakPolarHBondContact O-CB 3.27Å; C71-I73 HydrophobicContact CB-CD1 4.15Å; C71-I73 HydrophobicContact CB-CG1 4.24Å; C71-V83 WeakPolarHBondContact O-CA 3.42Å; C71-Q84 PolarHBondContact N-O 3.2Å; C71-Q84 VanDerWaalsContact N-O 3.08Å; C71-Q84 PolarHBondContact O-N 3.12Å; C71-Q84 WeakPolarHBondContact SG-CG 3.48Å
72V97.3Very high93.4Very high0 Ų045.6 Ų45.60%025%0.254CS..EExtended strand (participates in β ladder)trans-129.6111.3170.2-178.70000106.6R63 L64 L82 V83 M114 F185 M187R63-V72 WeakPolarHBondContact CA-O 3.49Å; L64-V72 HydrophobicContact CB-CB 3.76Å; L64-V72 HydrophobicContact CB-CG2 3.85Å; L64-V72 HydrophobicContact CD2-CG2 4.28Å; L64-V72 PolarHBondContact N-O 3.44Å; L64-V72 PolarHBondContact O-N 3.18Å; V72-L82 WeakPolarHBondContact CA-O 3.34Å; V72-V83 HydrophobicContact CG1-CG2 4.49Å; V72-V83 HydrophobicContact CG2-CG2 4.29Å; V72-M114 HydrophobicContact CG2-CE 3.64Å; V72-F185 HydrophobicContact CG1-CE1 4.45Å; V72-F185 HydrophobicContact CG1-CE2 4.1Å; V72-F185 HydrophobicContact CG1-CZ 3.99Å; V72-M187 HydrophobicContact CG2-SD 4.49Å
73I95.9Very high93.8Very high46 Ų4643.9 Ų43.924%0.23624%0.243CC..EExtended strand (participates in β ladder)trans-120.4108.4-172.3-51.8-61.7000108.6C71 L75 S81 L82C71-I73 HydrophobicContact CB-CD1 4.15Å; C71-I73 HydrophobicContact CB-CG1 4.24Å; I73-L75 PolarHBondContact O-N 3.25Å; I73-S81 CarbonylContact O-C 3.58Å; I73-S81 WeakPolarHBondContact O-CA 3.45Å; I73-L82 HydrophobicContact CB-CB 4.26Å; I73-L82 PolarHBondContact N-O 2.79Å; I73-L82 PolarHBondContact O-N 3.47Å
74P94.8Very high94.1Very high8 Ų844.6 Ų44.65%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-53.7131173.8-26.935.1000111.4M61 R63M61-P74 HydrophobicContact CB-CB 4.11Å; M61-P74 HydrophobicContact CB-CG 3.95Å; M61-P74 HydrophobicContact CE-CB 3.59Å; M61-P74 HydrophobicContact SD-CB 4.29Å; R63-P74 HydrophobicContact CB-CG 4.45Å
75L93.8Very high94.4Very high48 Ų4844.8 Ų44.825%0.25125%0.251SS..  trans-91.8156.3177.9-65179.4000110.4I73 H77 L80 L82 V179I73-L75 PolarHBondContact O-N 3.25Å; L75-H77 PolarHBondContact O-N 3Å; L75-L80 HydrophobicContact CB-CB 4.38Å; L75-L80 WeakPolarHBondContact CB-O 3.39Å; L75-L80 HydrophobicContact CD1-CB 4.07Å; L75-L80 PolarHBondContact N-O 3Å; L75-L82 HydrophobicContact CD2-CB 4Å; L75-L82 HydrophobicContact CG-CB 4.33Å; L75-V179 HydrophobicContact CD1-CG1 3.7Å; L75-V179 HydrophobicContact CD1-CG2 4.33Å
76R91Very high94.8Very high230 Ų23047.3 Ų47.387%0.86826%0.26SS*.SBendtrans-66.8-4.1175-58.8178.1-177.2174.40.5113.5
77H90.5Very high95.1Very high137 Ų13744.4 Ų44.463%0.63425%0.245SC*.SBendtrans-121121.9-168.4-57.4-65.3000111.2L75 G79 L80L75-H77 PolarHBondContact O-N 3Å; H77-G79 VanDerWaalsContact C-N 3.27Å; H77-G79 PolarHBondContact O-N 3.3Å; H77-L80 WeakPolarHBondContact O-CB 3.26Å; H77-L80 WeakPolarHBondContact O-CG 3.16Å; H77-L80 PolarHBondContact O-N 3.08Å; H77-L80 VanDerWaalsContact O-N 3.07Å
78G87.3Confident95.6Very high58 Ų5847.8 Ų47.860%0.59825%0.245SC*.THydrogen-bonded Turntrans60.723.2157.300000117.2L80G78-L80 PolarHBondContact O-N 3.02Å
79G89.8Confident95.7Very high13 Ų1347 Ų4713%0.13424%0.241CC..THydrogen-bonded Turntrans70.117.9-177.300000114.3H77H77-G79 VanDerWaalsContact C-N 3.27Å; H77-G79 PolarHBondContact O-N 3.3Å
80L96.2Very high95.8Very high42 Ų4247.9 Ų47.922%0.2224%0.243CC..  trans-82.5154.7179.1-62.3171.4000111.2L75 H77 G78 V179 C180 Q181L75-L80 HydrophobicContact CB-CB 4.38Å; L75-L80 WeakPolarHBondContact CB-O 3.39Å; L75-L80 HydrophobicContact CD1-CB 4.07Å; L75-L80 PolarHBondContact N-O 3Å; H77-L80 WeakPolarHBondContact O-CB 3.26Å; H77-L80 WeakPolarHBondContact O-CG 3.16Å; H77-L80 PolarHBondContact O-N 3.08Å; H77-L80 VanDerWaalsContact O-N 3.07Å; G78-L80 PolarHBondContact O-N 3.02Å; L80-V179 HydrophobicContact CB-CG1 3.79Å; L80-V179 HydrophobicContact CD1-CG1 3.86Å; L80-V179 HydrophobicContact CD2-CG1 4.24Å; L80-V179 HydrophobicContact CG-CG1 4.18Å; L80-C180 WeakPolarHBondContact CA-O 3.08Å; L80-Q181 HydrophobicContact CD2-CG 4.22Å; L80-Q181 VanDerWaalsContact CD2-NE2 3.29Å
81S97.5Very high95.8Very high1 Ų147.8 Ų47.81%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-126.9136.4171.7-64.10000111I73 V179 C180I73-S81 CarbonylContact O-C 3.58Å; I73-S81 WeakPolarHBondContact O-CA 3.45Å; S81-V179 CarbonylContact O-C 3.51Å; S81-V179 WeakPolarHBondContact O-CA 3.29Å; S81-C180 PolarHBondContact N-O 2.91Å; S81-C180 PolarHBondContact O-N 3.46Å
82L98.4Very high95.7Very high39 Ų3947.6 Ų47.620%0.20424%0.239CC..EExtended strand (participates in β ladder)trans-75.4124167.2175.775.6000108.5V72 I73 L75 Q84 T177V72-L82 WeakPolarHBondContact CA-O 3.34Å; I73-L82 HydrophobicContact CB-CB 4.26Å; I73-L82 PolarHBondContact N-O 2.79Å; I73-L82 PolarHBondContact O-N 3.47Å; L75-L82 HydrophobicContact CD2-CB 4Å; L75-L82 HydrophobicContact CG-CB 4.33Å; L82-Q84 HydrophobicContact CD2-CG 4.26Å; L82-Q84 HydrophobicContact CG-CG 4.32Å; L82-T177 HydrophobicContact CD1-CG2 3.39Å
83V98.6Very high95.7Very high0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-116.3119.2171.3-172.20000107.7T70 C71 V72 L111 V116 T177 T178 C180 F185T70-V83 HydrophobicContact CG2-CG1 4.12Å; C71-V83 WeakPolarHBondContact O-CA 3.42Å; V72-V83 HydrophobicContact CG1-CG2 4.49Å; V72-V83 HydrophobicContact CG2-CG2 4.29Å; V83-L111 HydrophobicContact CB-CD2 4.46Å; V83-L111 HydrophobicContact CG1-CD2 3.8Å; V83-V116 HydrophobicContact CG1-CG2 4.4Å; V83-T177 WeakPolarHBondContact O-CA 3.33Å; V83-T178 HydrophobicContact CB-CG2 4.19Å; V83-T178 PolarHBondContact N-O 2.89Å; V83-T178 PolarHBondContact O-N 3.02Å; V83-C180 HydrophobicContact CG2-CB 4.09Å; V83-F185 HydrophobicContact CG2-CD1 4.37Å
84Q98.8Very high95.7Very high74 Ų7446 Ų4635%0.34623%0.231SC..EExtended strand (participates in β ladder)trans-147.2156.3-178.265172.5-0.200112.7T70 C71 L82 A176 T177T70-Q84 WeakPolarHBondContact CA-O 3.21Å; T70-Q84 WeakPolarHBondContact CB-O 3.31Å; C71-Q84 PolarHBondContact N-O 3.2Å; C71-Q84 VanDerWaalsContact N-O 3.08Å; C71-Q84 PolarHBondContact O-N 3.12Å; C71-Q84 WeakPolarHBondContact SG-CG 3.48Å; L82-Q84 HydrophobicContact CD2-CG 4.26Å; L82-Q84 HydrophobicContact CG-CG 4.32Å; Q84-A176 VanDerWaalsContact CA-O 3.28Å; Q84-A176 WeakPolarHBondContact CA-O 3.46Å; Q84-T177 HydrophobicContact CB-CG2 4.11Å
85T98.8Very high95.9Very high14 Ų1446.1 Ų46.19%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-146.1160.9177.8-176.60000110.7D69 V107 D110 L111 V175 A176D69-T85 PolarHBondContact O-OG1 3.43Å; T85-V107 VanDerWaalsContact CG2-O 3.3Å; T85-V107 WeakPolarHBondContact CG2-O 3.42Å; T85-D110 HydrophobicContact CG2-CB 3.7Å; T85-D110 WeakPolarHBondContact OG1-CB 3.44Å; T85-D110 PolarHBondContact OG1-OD2 2.76Å; T85-L111 HydrophobicContact CG2-CD2 4.42Å; T85-L111 HydrophobicContact CG2-CG 4.17Å; T85-V175 WeakPolarHBondContact O-CA 3.49Å; T85-V175 WeakPolarHBondContact O-CG1 3.39Å; T85-A176 HydrophobicContact CG2-CB 4.11Å; T85-A176 PolarHBondContact N-O 3.04Å; T85-A176 PolarHBondContact O-N 2.86Å; T85-A176 VanDerWaalsContact O-N 3.1Å
86T98.8Very high96.1Very high82 Ų8243.8 Ų43.850%0.50322%0.219SC..EExtended strand (participates in β ladder)trans-140.8139.8167.7-170.50000110.2G174T86-G174 VanDerWaalsContact CA-O 3.3Å; T86-G174 WeakPolarHBondContact CA-O 3.47Å; T86-G174 WeakPolarHBondContact CB-O 3.38Å; T86-G174 PolarHBondContact OG1-O 3.29Å
87D98.1Very high96.5Very high18 Ų1834.6 Ų34.610%0.09619%0.185CC..EExtended strand (participates in β ladder)trans-146.2158.4168.9-152.9-9.2000109.8K32 N106 G173 G174K32-D87 IonicContact NZ-OD1 3.18Å; K32-D87 IonicContact NZ-OD2 3.42Å; K32-D87 PolarHBondContact NZ-OD2 3.38Å; D87-N106 WeakPolarHBondContact CB-ND2 3.48Å; D87-N106 VanDerWaalsContact CG-ND2 3.31Å; D87-N106 PolarHBondContact OD2-ND2 2.84Å; D87-G173 CarbonylContact O-C 3.56Å; D87-G173 WeakPolarHBondContact O-CA 3.46Å; D87-G174 PolarHBondContact N-O 3.42Å; D87-G174 PolarHBondContact O-N 3.02Å
88Y98Very high96.9Very high117 Ų11729 Ų2946%0.45916%0.159SC..EExtended strand (participates in β ladder)trans-147.5149.6169.869.7-90.7000110.9Y90 V171 L172Y88-Y90 HydrophobicContact CE2-CE2 4.46Å; Y88-V171 HydrophobicContact CD2-CG1 3.69Å; Y88-V171 HydrophobicContact CE2-CG1 4.49Å; Y88-V171 HydrophobicContact CG-CG1 4.09Å; Y88-L172 CarbonylContact C-O 3.58Å; Y88-L172 WeakPolarHBondContact CA-O 3.5Å
89I97Very high97.4Very high10 Ų1026.2 Ų26.25%0.05113%0.131CC..EExtended strand (participates in β ladder)trans-134.4173-178.959.6177.7000110.2M99 I102 A103 L172 T320I89-M99 HydrophobicContact CD1-CE 3.4Å; I89-M99 HydrophobicContact CG1-CE 3.93Å; I89-I102 HydrophobicContact CD1-CG2 4.1Å; I89-A103 HydrophobicContact CD1-CB 4.38Å; I89-A103 HydrophobicContact CG1-CB 4.45Å; I89-L172 WeakPolarHBondContact CG1-O 3.11Å; I89-L172 PolarHBondContact N-O 3.01Å; I89-L172 PolarHBondContact O-N 2.91Å; I89-T320 HydrophobicContact CD1-CG2 3.7Å; I89-T320 HydrophobicContact CG2-CG2 4.34Å
90Y97.4Very high97.8Very high36 Ų3625.6 Ų25.614%0.14112%0.124CC..  trans-108.4165.9172.9-56.2-78.8000109.7T24 L26 C31 Y88 I92 W169 V170 V171T24-Y90 WeakPolarHBondContact OG1-CB 3.45Å; L26-Y90 HydrophobicContact CD1-CE2 4.32Å; C31-Y90 HydrophobicContact CB-CD2 3.72Å; C31-Y90 HydrophobicContact CB-CE2 3.7Å; Y88-Y90 HydrophobicContact CE2-CE2 4.46Å; Y90-I92 PolarHBondContact O-N 3.25Å; Y90-W169 HydrophobicContact CD1-CB 4.02Å; Y90-W169 HydrophobicContact CD1-CE3 4Å; Y90-W169 HydrophobicContact CE1-CB 4.17Å; Y90-W169 HydrophobicContact CE1-CD2 4.46Å; Y90-W169 AromaticContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CZ3 4.35Å; Y90-W169 HydrophobicContact CE2-CE3 4.46Å; Y90-W169 AromaticContact CZ-CE3 3.81Å; Y90-V170 VanDerWaalsContact CD1-O 3.29Å; Y90-V170 WeakPolarHBondContact CD1-O 3.5Å; Y90-V171 HydrophobicContact CD1-CG2 4.26Å; Y90-V171 HydrophobicContact CE1-CG2 3.76Å
91P96.9Very high98Very high3 Ų324.5 Ų24.52%0.01912%0.117CC..  trans-57122.8177.9-29.235000114.1L20 T24 V170L20-P91 HydrophobicContact CB-CB 4.46Å; L20-P91 HydrophobicContact CD1-CG 4.35Å; L20-P91 HydrophobicContact CD2-CB 4.14Å; L20-P91 HydrophobicContact CD2-CG 4.31Å; L20-P91 HydrophobicContact CG-CB 3.73Å; L20-P91 HydrophobicContact CG-CG 3.84Å; T24-P91 WeakPolarHBondContact CG2-O 3Å; P91-V170 WeakPolarHBondContact CD-O 3.47Å; P91-V170 HydrophobicContact CG-CB 3.64Å; P91-V170 HydrophobicContact CG-CG1 3.77Å
92I95.3Very high98Very high23 Ų2324.5 Ų24.512%0.11812%0.117CC..  trans-114.8-20.5175.255.9167.1000112.9Y90 M99 I102 V209 M244 T320Y90-I92 PolarHBondContact O-N 3.25Å; I92-M99 HydrophobicContact CG1-CE 3.92Å; I92-M99 HydrophobicContact CG1-SD 3.74Å; I92-M99 PolarHBondContact N-SD 3.39Å; I92-I102 HydrophobicContact CD1-CG2 4.36Å; I92-V209 HydrophobicContact CB-CG2 4.32Å; I92-V209 WeakPolarHBondContact O-CB 3.39Å; I92-M244 HydrophobicContact CD1-CE 3.77Å; I92-M244 HydrophobicContact CD1-SD 3.47Å; I92-M244 WeakPolarHBondContact CD1-SD 3.41Å; I92-T320 HydrophobicContact CD1-CG2 3.59Å
93V96.8Very high98Very high0 Ų022.7 Ų22.70%011%0.108CC..SBendtrans-120153.2173.1-58.60000110M99 I102 V209 Y237 M241 M244V93-M99 HydrophobicContact CG2-CB 3.75Å; V93-M99 HydrophobicContact CG2-CG 4.32Å; V93-M99 HydrophobicContact CG2-SD 3.75Å; V93-I102 HydrophobicContact CG1-CD1 4.05Å; V93-I102 HydrophobicContact CG2-CD1 3.83Å; V93-V209 HydrophobicContact CG1-CG1 4.14Å; V93-Y237 WeakPolarHBondContact CA-OH 3.25Å; V93-Y237 HydrophobicContact CB-CE2 4.02Å; V93-Y237 VanDerWaalsContact CB-OH 3.3Å; V93-Y237 WeakPolarHBondContact CB-OH 3.03Å; V93-Y237 HydrophobicContact CG1-CE2 3.73Å; V93-M241 HydrophobicContact CB-SD 4.27Å; V93-M241 HydrophobicContact CG1-CB 4.3Å; V93-M241 HydrophobicContact CG1-CG 4.16Å; V93-M241 HydrophobicContact CG1-SD 4.39Å; V93-M241 HydrophobicContact CG2-SD 4.31Å; V93-M244 HydrophobicContact CG1-CE 4.01Å
94D97Very high98.1Very high12 Ų1222.7 Ų22.76%0.06411%0.108CC..SBendtrans-87-16.2-177.9-70.8-53.6000113.9F7 R19 L20 T21 P96 Y237F7-D94 WeakPolarHBondContact CD1-O 3.41Å; R19-D94 WeakPolarHBondContact CA-OD1 3.43Å; R19-D94 WeakPolarHBondContact CB-OD1 3.3Å; R19-D94 WeakPolarHBondContact CD-OD2 3.4Å; L20-D94 PolarHBondContact N-OD1 3.35Å; T21-D94 WeakPolarHBondContact CB-OD1 3.38Å; T21-D94 VanDerWaalsContact CG2-OD1 3.3Å; T21-D94 WeakPolarHBondContact CG2-OD1 3.36Å; T21-D94 PolarHBondContact N-OD1 3Å; T21-D94 PolarHBondContact OG1-OD1 3.02Å; T21-D94 PolarHBondContact OG1-OD2 3.29Å; D94-P96 WeakPolarHBondContact O-CD 3.42Å; D94-Y237 PolarHBondContact N-OH 2.71Å
95D98.1Very high98.1Very high11 Ų1119.2 Ų19.26%0.0599%0.092CC..  trans-76.9111.5172.2-176.4-34000110.1R4 F7 Y97 M98 M99 M241R4-D95 IonicContact CZ-OD1 3.61Å; R4-D95 IonicContact CZ-OD2 3.3Å; R4-D95 IonicContact NH1-OD1 3.36Å; R4-D95 PolarHBondContact NH1-OD1 3.14Å; R4-D95 IonicContact NH1-OD2 2.65Å; R4-D95 PolarHBondContact NH1-OD2 3.39Å; R4-D95 IonicContact NH2-OD1 3.53Å; R4-D95 PolarHBondContact NH2-OD1 3.5Å; R4-D95 IonicContact NH2-OD2 3.39Å; R4-D95 PolarHBondContact NH2-OD2 3.3Å; F7-D95 HydrophobicContact CB-CB 3.77Å; D95-Y97 PolarHBondContact O-N 3.3Å; D95-Y97 PolarHBondContact OD1-N 2.9Å; D95-M98 HydrophobicContact CB-CB 4.05Å; D95-M98 HydrophobicContact CB-CG 4.27Å; D95-M98 PolarHBondContact O-N 3.4Å; D95-M98 PolarHBondContact OD1-N 3.46Å; D95-M99 WeakPolarHBondContact O-CB 3.46Å; D95-M99 PolarHBondContact O-N 2.88Å; D95-M241 HydrophobicContact CB-SD 4.1Å
96P98.4Very high98.1Very high0 Ų018.7 Ų18.70%09%0.088CC..Hα-helixtrans-66.2-36.9-172.2-21.134.4000113.6F7 L20 D94 M99 G100 V140 L143 I144F7-P96 VanDerWaalsContact CD2-CD 3.45Å; F7-P96 HydrophobicContact CD2-CG 4.26Å; F7-P96 HydrophobicContact CE1-CG 4.29Å; F7-P96 HydrophobicContact CE2-CG 3.82Å; F7-P96 HydrophobicContact CZ-CG 3.84Å; L20-P96 HydrophobicContact CD2-CB 4.26Å; L20-P96 HydrophobicContact CD2-CG 4.49Å; D94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-M99 WeakPolarHBondContact O-CB 3.39Å; P96-M99 PolarHBondContact O-N 3.17Å; P96-G100 PolarHBondContact O-N 3.07Å; P96-V140 HydrophobicContact CB-CG1 3.78Å; P96-V140 HydrophobicContact CG-CG1 3.8Å; P96-L143 HydrophobicContact CB-CB 3.89Å; P96-L143 HydrophobicContact CB-CD1 4.28Å; P96-L143 HydrophobicContact CG-CD1 4.22Å; P96-I144 HydrophobicContact CB-CD1 4.39Å; P96-I144 HydrophobicContact CB-CG1 3.79Å; P96-I144 WeakPolarHBondContact O-CA 3.08Å; P96-I144 WeakPolarHBondContact O-CG1 3.43Å
97Y98.7Very high98.1Very high36 Ų3614.8 Ų14.814%0.1416%0.064CC..Hα-helixtrans-69.1-43.7178.2167.9-79.2000111.1R4 D95 M99 G100 R101 L143 Q146 G147 D150R4-Y97 VanDerWaalsContact CZ-CB 3.43Å; R4-Y97 VanDerWaalsContact NH2-CB 3.33Å; D95-Y97 PolarHBondContact O-N 3.3Å; D95-Y97 PolarHBondContact OD1-N 2.9Å; Y97-M99 VanDerWaalsContact C-N 3.27Å; Y97-M99 PolarHBondContact O-N 3.19Å; Y97-G100 WeakPolarHBondContact O-CA 3.42Å; Y97-G100 PolarHBondContact O-N 3.21Å; Y97-G100 VanDerWaalsContact O-N 3.13Å; Y97-R101 HydrophobicContact CD1-CG 4.44Å; Y97-R101 HydrophobicContact CE1-CG 3.96Å; Y97-R101 PolarHBondContact O-N 3.26Å; Y97-L143 VanDerWaalsContact CA-O 3.29Å; Y97-L143 WeakPolarHBondContact CA-O 3.12Å; Y97-Q146 HydrophobicContact CD2-CB 4.22Å; Y97-Q146 HydrophobicContact CD2-CG 4.18Å; Y97-Q146 HydrophobicContact CE2-CB 4.45Å; Y97-Q146 HydrophobicContact CE2-CG 4Å; Y97-G147 WeakPolarHBondContact O-CA 3.33Å; Y97-D150 HydrophobicContact CE2-CB 4.49Å; Y97-D150 WeakPolarHBondContact CE2-OD2 3.29Å; Y97-D150 WeakPolarHBondContact OH-CB 3.14Å; Y97-D150 PolarHBondContact OH-OD2 3.01Å
98M98.5Very high98.1Very high20 Ų2013.9 Ų13.910%0.0996%0.06CC..Hα-helixtrans-65-36.6176.2-69.7-58.1-69.400111.1D95 G100 R101 I102 M241 M242 A245D95-M98 HydrophobicContact CB-CB 4.05Å; D95-M98 HydrophobicContact CB-CG 4.27Å; D95-M98 PolarHBondContact O-N 3.4Å; D95-M98 PolarHBondContact OD1-N 3.46Å; M98-G100 VanDerWaalsContact C-N 3.3Å; M98-G100 PolarHBondContact O-N 2.93Å; M98-R101 PolarHBondContact O-N 3.37Å; M98-I102 WeakPolarHBondContact O-CB 3.5Å; M98-I102 WeakPolarHBondContact O-CD1 3.16Å; M98-I102 WeakPolarHBondContact O-CG1 3.23Å; M98-I102 PolarHBondContact O-N 3.27Å; M98-M241 HydrophobicContact CB-CE 4.46Å; M98-M241 HydrophobicContact CB-CG 3.71Å; M98-M241 HydrophobicContact CB-SD 3.44Å; M98-M241 WeakPolarHBondContact CB-SD 3.22Å; M98-M241 HydrophobicContact CE-CG 3.82Å; M98-M241 HydrophobicContact CG-CE 4Å; M98-M241 HydrophobicContact CG-CG 4.08Å; M98-M241 HydrophobicContact CG-SD 3.63Å; M98-M242 HydrophobicContact CE-SD 3.94Å; M98-A245 HydrophobicContact CE-CB 3.58Å
99M98.5Very high98.1Very high0 Ų08.3 Ų8.30%04%0.038CC..Hα-helixtrans-59.7-40.8172.8-167.864.4-124.100111.9L20 I89 I92 V93 D95 P96 Y97 I102 A103 L172L20-M99 HydrophobicContact CD2-CB 3.93Å; L20-M99 HydrophobicContact CD2-CG 3.95Å; I89-M99 HydrophobicContact CD1-CE 3.4Å; I89-M99 HydrophobicContact CG1-CE 3.93Å; I92-M99 HydrophobicContact CG1-CE 3.92Å; I92-M99 HydrophobicContact CG1-SD 3.74Å; I92-M99 PolarHBondContact N-SD 3.39Å; V93-M99 HydrophobicContact CG2-CB 3.75Å; V93-M99 HydrophobicContact CG2-CG 4.32Å; V93-M99 HydrophobicContact CG2-SD 3.75Å; D95-M99 WeakPolarHBondContact O-CB 3.46Å; D95-M99 PolarHBondContact O-N 2.88Å; P96-M99 WeakPolarHBondContact O-CB 3.39Å; P96-M99 PolarHBondContact O-N 3.17Å; Y97-M99 VanDerWaalsContact C-N 3.27Å; Y97-M99 PolarHBondContact O-N 3.19Å; M99-I102 HydrophobicContact CE-CB 4.47Å; M99-I102 HydrophobicContact CE-CG2 4.27Å; M99-I102 PolarHBondContact O-N 3.35Å; M99-A103 WeakPolarHBondContact O-CB 3.41Å; M99-A103 PolarHBondContact O-N 3.47Å; M99-L172 HydrophobicContact CB-CD1 4.43Å; M99-L172 HydrophobicContact CE-CD1 4Å; M99-L172 HydrophobicContact CG-CD1 3.35Å; M99-L172 HydrophobicContact SD-CD1 4.43Å
100G98.8Very high98.2Very high0 Ų08.4 Ų8.40%04%0.038CC..Hα-helixtrans-60.8-46.9172.300000113.3P96 Y97 M98 I102 A103 C104 I144 F148P96-G100 PolarHBondContact O-N 3.07Å; Y97-G100 WeakPolarHBondContact O-CA 3.42Å; Y97-G100 PolarHBondContact O-N 3.21Å; Y97-G100 VanDerWaalsContact O-N 3.13Å; M98-G100 VanDerWaalsContact C-N 3.3Å; M98-G100 PolarHBondContact O-N 2.93Å; G100-I102 VanDerWaalsContact C-N 3.35Å; G100-I102 PolarHBondContact O-N 3.16Å; G100-A103 PolarHBondContact O-N 2.96Å; G100-C104 PolarHBondContact O-N 3.47Å; G100-C104 VanDerWaalsContact O-N 3.09Å; G100-I144 VanDerWaalsContact CA-O 3.32Å; G100-I144 WeakPolarHBondContact CA-O 3.3Å; G100-F148 WeakPolarHBondContact O-CA 3.27Å
101R98.8Very high98.3Very high19 Ų196.7 Ų6.77%0.0723%0.032CC..Hα-helixtrans-58.8-45174.1-80.5-16165.7139.71.7111.9M1 Y97 M98 C104 A105 G147 A151 E154 A245M1-R101 VanDerWaalsContact CE-NH1 3.27Å; Y97-R101 HydrophobicContact CD1-CG 4.44Å; Y97-R101 HydrophobicContact CE1-CG 3.96Å; Y97-R101 PolarHBondContact O-N 3.26Å; M98-R101 PolarHBondContact O-N 3.37Å; R101-C104 PolarHBondContact O-N 3.47Å; R101-A105 WeakPolarHBondContact O-CB 3.38Å; R101-A105 PolarHBondContact O-N 3.17Å; R101-G147 WeakPolarHBondContact CG-O 3.49Å; R101-A151 HydrophobicContact CB-CB 4.32Å; R101-A151 HydrophobicContact CG-CB 4.11Å; R101-E154 IonicContact CZ-OE2 3.85Å; R101-E154 IonicContact NH1-OE2 2.65Å; R101-E154 PolarHBondContact NH1-OE2 3.31Å; R101-E154 IonicContact NH2-OE1 3.96Å; R101-E154 IonicContact NH2-OE2 2.95Å; R101-E154 PolarHBondContact NH2-OE2 3.18Å; R101-A245 HydrophobicContact CB-CB 4.06Å
102I98.8Very high98.4Very high0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-62.8-44.3179.3-69.4163.2000110.8I89 I92 V93 M98 M99 G100 C104 A105 N106 M241 M244 A245 T320I89-I102 HydrophobicContact CD1-CG2 4.1Å; I92-I102 HydrophobicContact CD1-CG2 4.36Å; V93-I102 HydrophobicContact CG1-CD1 4.05Å; V93-I102 HydrophobicContact CG2-CD1 3.83Å; M98-I102 WeakPolarHBondContact O-CB 3.5Å; M98-I102 WeakPolarHBondContact O-CD1 3.16Å; M98-I102 WeakPolarHBondContact O-CG1 3.23Å; M98-I102 PolarHBondContact O-N 3.27Å; M99-I102 HydrophobicContact CE-CB 4.47Å; M99-I102 HydrophobicContact CE-CG2 4.27Å; M99-I102 PolarHBondContact O-N 3.35Å; G100-I102 VanDerWaalsContact C-N 3.35Å; G100-I102 PolarHBondContact O-N 3.16Å; I102-C104 PolarHBondContact O-N 3.4Å; I102-A105 PolarHBondContact O-N 3Å; I102-N106 WeakPolarHBondContact O-CB 3.23Å; I102-N106 PolarHBondContact O-N 3.1Å; I102-M241 HydrophobicContact CD1-CG 4.03Å; I102-M244 HydrophobicContact CB-CB 4.48Å; I102-M244 HydrophobicContact CD1-CB 4.02Å; I102-M244 HydrophobicContact CD1-CE 3.97Å; I102-M244 HydrophobicContact CG1-CB 3.75Å; I102-M244 HydrophobicContact CG2-CB 3.97Å; I102-A245 HydrophobicContact CG1-CB 4.04Å; I102-T320 HydrophobicContact CG2-CG2 4.13Å
103A98.8Very high98.5Very high1 Ų15.6 Ų5.61%0.0083%0.026CC..Hα-helixtrans-61.4-43.8178.300000111.7I89 M99 G100 N106 V107 F148 L172I89-A103 HydrophobicContact CD1-CB 4.38Å; I89-A103 HydrophobicContact CG1-CB 4.45Å; M99-A103 WeakPolarHBondContact O-CB 3.41Å; M99-A103 PolarHBondContact O-N 3.47Å; G100-A103 PolarHBondContact O-N 2.96Å; A103-N106 PolarHBondContact O-N 3.18Å; A103-V107 WeakPolarHBondContact O-CG2 3.41Å; A103-V107 PolarHBondContact O-N 3.25Å; A103-V107 VanDerWaalsContact O-N 3.17Å; A103-F148 HydrophobicContact CB-CD2 4.19Å; A103-F148 HydrophobicContact CB-CE2 4.27Å; A103-L172 HydrophobicContact CB-CB 3.71Å
104C98.9Very high98.6Very high0 Ų05.6 Ų5.60%03%0.026CC..Hα-helixtrans-63.5-47.9175-177.80000112.1G100 R101 I102 N106 V107 L108 F148 A151G100-C104 PolarHBondContact O-N 3.47Å; G100-C104 VanDerWaalsContact O-N 3.09Å; R101-C104 PolarHBondContact O-N 3.47Å; I102-C104 PolarHBondContact O-N 3.4Å; C104-N106 VanDerWaalsContact C-N 3.28Å; C104-N106 PolarHBondContact O-N 3.34Å; C104-V107 PolarHBondContact O-N 3.05Å; C104-L108 PolarHBondContact O-N 2.72Å; C104-F148 HydrophobicContact CB-CB 4.36Å; C104-F148 HydrophobicContact CB-CD1 3.76Å; C104-F148 HydrophobicContact CB-CD2 3.71Å; C104-F148 HydrophobicContact CB-CE1 3.86Å; C104-F148 HydrophobicContact CB-CE2 3.83Å; C104-F148 HydrophobicContact CB-CG 3.68Å; C104-F148 HydrophobicContact CB-CZ 3.91Å; C104-A151 HydrophobicContact CB-CB 3.72Å
105A98.9Very high98.7Very high1 Ų15 Ų51%0.0082%0.023CC..Hα-helixtrans-60-38.3178.500000112.3R101 I102 L108 S109 M244 L247R101-A105 WeakPolarHBondContact O-CB 3.38Å; R101-A105 PolarHBondContact O-N 3.17Å; I102-A105 PolarHBondContact O-N 3Å; A105-L108 PolarHBondContact O-N 3.02Å; A105-S109 WeakPolarHBondContact O-CB 3.44Å; A105-S109 PolarHBondContact O-N 3.12Å; A105-M244 WeakPolarHBondContact CB-O 3.48Å; A105-L247 HydrophobicContact CB-CD2 3.82Å
106N98.8Very high98.7Very high3 Ų34.7 Ų4.72%0.0162%0.021CC..Hα-helixtrans-63-47175.7-17088.7000111.4D87 I102 A103 C104 L108 S109 S321D87-N106 WeakPolarHBondContact CB-ND2 3.48Å; D87-N106 VanDerWaalsContact CG-ND2 3.31Å; D87-N106 PolarHBondContact OD2-ND2 2.84Å; I102-N106 WeakPolarHBondContact O-CB 3.23Å; I102-N106 PolarHBondContact O-N 3.1Å; A103-N106 PolarHBondContact O-N 3.18Å; C104-N106 VanDerWaalsContact C-N 3.28Å; C104-N106 PolarHBondContact O-N 3.34Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact O-N 3.09Å; N106-S109 VanDerWaalsContact O-CB 3.25Å; N106-S109 WeakPolarHBondContact O-CB 3.21Å; N106-S109 PolarHBondContact O-N 3.5Å; N106-S321 PolarHBondContact N-OG 2.88Å; N106-S321 PolarHBondContact OD1-N 2.91Å
107V98.8Very high98.7Very high0 Ų06.7 Ų6.70%03%0.034CC..Hα-helixtrans-61.8-41.2178174.60000111.5T85 A103 C104 S109 M122 A176T85-V107 VanDerWaalsContact CG2-O 3.3Å; T85-V107 WeakPolarHBondContact CG2-O 3.42Å; A103-V107 WeakPolarHBondContact O-CG2 3.41Å; A103-V107 PolarHBondContact O-N 3.25Å; A103-V107 VanDerWaalsContact O-N 3.17Å; C104-V107 PolarHBondContact O-N 3.05Å; V107-S109 VanDerWaalsContact C-N 3.28Å; V107-S109 PolarHBondContact O-N 2.88Å; V107-M122 HydrophobicContact CB-CE 4.06Å; V107-M122 HydrophobicContact CG1-CE 3.73Å; V107-A176 HydrophobicContact CG1-CB 3.94Å
108L98.9Very high98.7Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-73.5-20.6179.3-71.7165.7000113.2C104 A105 N106 D110 L111 Y112 C119 M122 A155 A176 L247C104-L108 PolarHBondContact O-N 2.72Å; A105-L108 PolarHBondContact O-N 3.02Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact O-N 3.09Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 2.96Å; L108-L111 PolarHBondContact O-N 2.79Å; L108-Y112 HydrophobicContact CB-CD2 4.2Å; L108-Y112 HydrophobicContact CB-CE2 3.54Å; L108-Y112 WeakPolarHBondContact O-CD2 3.48Å; L108-Y112 PolarHBondContact O-N 3.12Å; L108-C119 HydrophobicContact CD2-CB 3.9Å; L108-M122 HydrophobicContact CD1-CE 4.33Å; L108-M122 HydrophobicContact CD1-SD 4.04Å; L108-M122 HydrophobicContact CD2-CE 4.03Å; L108-M122 HydrophobicContact CD2-CG 4.47Å; L108-M122 HydrophobicContact CD2-SD 3.84Å; L108-M122 HydrophobicContact CG-CE 3.78Å; L108-M122 HydrophobicContact CG-SD 3.94Å; L108-A155 HydrophobicContact CD1-CB 3.51Å; L108-A176 HydrophobicContact CD2-CB 3.93Å; L108-L247 HydrophobicContact CD1-CD2 3.93Å
109S98.8Very high98.7Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-58.3-39.7-173.9-1690000112.6A105 N106 V107 Y112 A113 N248 D265A105-S109 WeakPolarHBondContact O-CB 3.44Å; A105-S109 PolarHBondContact O-N 3.12Å; N106-S109 VanDerWaalsContact O-CB 3.25Å; N106-S109 WeakPolarHBondContact O-CB 3.21Å; N106-S109 PolarHBondContact O-N 3.5Å; V107-S109 VanDerWaalsContact C-N 3.28Å; V107-S109 PolarHBondContact O-N 2.88Å; S109-Y112 CarbonylContact O-C 3.51Å; S109-Y112 WeakPolarHBondContact O-CB 3.07Å; S109-Y112 PolarHBondContact O-N 3.31Å; S109-A113 PolarHBondContact O-N 3.29Å; S109-N248 PolarHBondContact OG-ND2 2.91Å; S109-D265 WeakPolarHBondContact CB-OD2 3.44Å; S109-D265 WeakPolarHBondContact OG-CB 3.19Å; S109-D265 PolarHBondContact OG-OD2 3.17Å
110D98.6Very high98.7Very high11 Ų1113.5 Ų13.56%0.0597%0.07CC..Hα-helixtrans-65.6-39.2178.6-68.2-36000112.9D69 T70 T85 L108 Y112 A113 M114D69-D110 HydrophobicContact CB-CB 3.95Å; D69-D110 WeakPolarHBondContact O-CB 3.39Å; T70-D110 HydrophobicContact CG2-CB 4.13Å; T70-D110 VanDerWaalsContact CG2-O 3.22Å; T70-D110 WeakPolarHBondContact CG2-O 3.38Å; T85-D110 HydrophobicContact CG2-CB 3.7Å; T85-D110 WeakPolarHBondContact OG1-CB 3.44Å; T85-D110 PolarHBondContact OG1-OD2 2.76Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 2.96Å; D110-Y112 VanDerWaalsContact C-N 3.28Å; D110-Y112 PolarHBondContact O-N 3.48Å; D110-A113 WeakPolarHBondContact O-CB 3.45Å; D110-A113 PolarHBondContact O-N 3.36Å; D110-M114 PolarHBondContact O-N 3.11Å
111L98.7Very high98.7Very high1 Ų115.6 Ų15.61%0.0058%0.082CC..Hα-helixtrans-60.6-43.5173-72.7-173.2000110.3T70 V83 T85 L108 A113 M114 V116 C119 A176T70-L111 HydrophobicContact CG2-CD2 4.14Å; V83-L111 HydrophobicContact CB-CD2 4.46Å; V83-L111 HydrophobicContact CG1-CD2 3.8Å; T85-L111 HydrophobicContact CG2-CD2 4.42Å; T85-L111 HydrophobicContact CG2-CG 4.17Å; L108-L111 PolarHBondContact O-N 2.79Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 3.2Å; L111-M114 WeakPolarHBondContact O-CB 3.23Å; L111-M114 PolarHBondContact O-N 3.15Å; L111-V116 WeakPolarHBondContact O-CB 3.41Å; L111-V116 PolarHBondContact O-N 2.77Å; L111-C119 HydrophobicContact CD1-CB 4.05Å; L111-A176 HydrophobicContact CD1-CB 3.54Å; L111-A176 HydrophobicContact CG-CB 4.02Å
112Y98.9Very high98.7Very high1 Ų114.7 Ų14.70%0.0048%0.078CC..Hα-helixtrans-65.4-29.6178.3-59.7-38.5000112.8L108 S109 D110 M114 G115 V116 A155 L247 N248 R249 A252 M255 L324L108-Y112 HydrophobicContact CB-CD2 4.2Å; L108-Y112 HydrophobicContact CB-CE2 3.54Å; L108-Y112 WeakPolarHBondContact O-CD2 3.48Å; L108-Y112 PolarHBondContact O-N 3.12Å; S109-Y112 CarbonylContact O-C 3.51Å; S109-Y112 WeakPolarHBondContact O-CB 3.07Å; S109-Y112 PolarHBondContact O-N 3.31Å; D110-Y112 VanDerWaalsContact C-N 3.28Å; D110-Y112 PolarHBondContact O-N 3.48Å; Y112-M114 PolarHBondContact O-N 3.12Å; Y112-G115 PolarHBondContact O-N 2.95Å; Y112-V116 WeakPolarHBondContact CD1-O 3.47Å; Y112-A155 WeakPolarHBondContact OH-CB 3.48Å; Y112-L247 HydrophobicContact CE2-CB 4.01Å; Y112-L247 HydrophobicContact CE2-CD2 4.4Å; Y112-N248 HydrophobicContact CD2-CB 3.73Å; Y112-N248 HydrophobicContact CG-CB 4.04Å; Y112-R249 HydrophobicContact CD1-CB 4.19Å; Y112-R249 HydrophobicContact CD1-CG 4.45Å; Y112-R249 HydrophobicContact CE1-CB 3.66Å; Y112-R249 HydrophobicContact CE1-CG 3.75Å; Y112-R249 HydrophobicContact CE2-CB 4.06Å; Y112-A252 HydrophobicContact CD1-CB 4.02Å; Y112-A252 HydrophobicContact CG-CB 4.33Å; Y112-A252 WeakPolarHBondContact O-CB 3.34Å; Y112-M255 WeakPolarHBondContact O-CE 3.26Å; Y112-L324 WeakPolarHBondContact O-CD1 3.48Å
113A98.8Very high98.7Very high1 Ų117.7 Ų17.71%0.0089%0.094CC..Hα-helixtrans-62.8-25.617300000112.9D69 S109 D110 L111 G115 A263 D265 L324D69-A113 HydrophobicContact CB-CB 4.15Å; S109-A113 PolarHBondContact O-N 3.29Å; D110-A113 WeakPolarHBondContact O-CB 3.45Å; D110-A113 PolarHBondContact O-N 3.36Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 3.2Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-A263 WeakPolarHBondContact O-CB 3.25Å; A113-D265 HydrophobicContact CB-CB 4.37Å; A113-L324 HydrophobicContact CB-CD2 4.05Å
114M98.5Very high98.7Very high0 Ų018.8 Ų18.80%010%0.099CC..THydrogen-bonded Turntrans-88.67.3173.5-64.7-66.5-65.500113.5L64 T70 V72 D110 L111 Y112 V116 F185 I186 M187 P188L64-M114 HydrophobicContact CD2-CE 3.95Å; L64-M114 HydrophobicContact CD2-SD 4.1Å; T70-M114 HydrophobicContact CG2-CG 3.62Å; T70-M114 VanDerWaalsContact OG1-CG 3.31Å; T70-M114 WeakPolarHBondContact OG1-CG 3.4Å; V72-M114 HydrophobicContact CG2-CE 3.64Å; D110-M114 PolarHBondContact O-N 3.11Å; L111-M114 WeakPolarHBondContact O-CB 3.23Å; L111-M114 PolarHBondContact O-N 3.15Å; Y112-M114 PolarHBondContact O-N 3.12Å; M114-V116 HydrophobicContact CB-CG2 4.1Å; M114-V116 PolarHBondContact O-N 3.21Å; M114-F185 CarbonylContact O-C 3.36Å; M114-F185 VanDerWaalsContact O-CA 3.32Å; M114-F185 WeakPolarHBondContact O-CA 3.39Å; M114-I186 WeakPolarHBondContact CE-O 3.12Å; M114-I186 PolarHBondContact O-N 2.92Å; M114-M187 HydrophobicContact CE-SD 4.26Å; M114-P188 HydrophobicContact SD-CB 4.41Å; M114-P188 HydrophobicContact SD-CG 3.9Å
115G98.5Very high98.7Very high0 Ų021.4 Ų21.40%011%0.113CC..THydrogen-bonded Turntrans73.64.8-177.300000114.5Y112 A113 T117 H256Y112-G115 PolarHBondContact O-N 2.95Å; A113-G115 VanDerWaalsContact C-N 3.32Å; G115-T117 PolarHBondContact O-N 2.89Å; G115-H256 PolarHBondContact O-CD2 2.81Å; G115-H256 PolarHBondContact O-NE2 3.29Å
116V98.8Very high98.7Very high4 Ų421.7 Ų21.72%0.02411%0.114CC..  trans-78116179175.60000108.9V83 L111 Y112 M114 E118 T178 F185V83-V116 HydrophobicContact CG1-CG2 4.4Å; L111-V116 WeakPolarHBondContact O-CB 3.41Å; L111-V116 PolarHBondContact O-N 2.77Å; Y112-V116 WeakPolarHBondContact CD1-O 3.47Å; M114-V116 HydrophobicContact CB-CG2 4.1Å; M114-V116 PolarHBondContact O-N 3.21Å; V116-E118 VanDerWaalsContact CG1-O 3.26Å; V116-E118 WeakPolarHBondContact CG1-O 3.46Å; V116-T178 HydrophobicContact CG1-CG2 3.51Å; V116-F185 HydrophobicContact CG2-CB 3.6Å
117T98.4Very high98.7Very high43 Ų4321.6 Ų21.626%0.26411%0.113SC..  trans-90.4-20.5-176.558.30000114.4G115 R249 A252 G253G115-T117 PolarHBondContact O-N 2.89Å; T117-R249 PolarHBondContact O-NE 3.11Å; T117-A252 HydrophobicContact CG2-CB 4.13Å; T117-G253 VanDerWaalsContact CG2-CA 3.45Å
118E98.5Very high98.7Very high92 Ų9222.8 Ų22.843%0.4312%0.12SC..  trans-105.6147.8-176.5-55.1-49.2112.400110.7V116 T178 R249V116-E118 VanDerWaalsContact CG1-O 3.26Å; V116-E118 WeakPolarHBondContact CG1-O 3.46Å; E118-T178 PolarHBondContact O-OG1 2.9Å; E118-R249 VanDerWaalsContact CD-NH2 3.27Å; E118-R249 IonicContact OE1-CZ 2.85Å; E118-R249 IonicContact OE1-NE 3.41Å; E118-R249 IonicContact OE1-NH2 2.95Å; E118-R249 PolarHBondContact OE1-NH2 3.4Å; E118-R249 IonicContact OE2-NH2 3.35Å; E118-R249 PolarHBondContact OE2-NH2 3.3Å
119C98.8Very high98.7Very high5 Ų522.9 Ų22.93%0.03412%0.12CC..  trans-129113174.41750000107.6L108 L111 N121 T157L108-C119 HydrophobicContact CD2-CB 3.9Å; L111-C119 HydrophobicContact CD1-CB 4.05Å; C119-N121 PolarHBondContact SG-O 3.24Å; C119-T157 HydrophobicContact CB-CG2 4.08Å; C119-T157 WeakPolarHBondContact O-CB 3.41Å; C119-T157 PolarHBondContact O-OG1 3.01Å
120D98.8Very high98.5Very high101 Ų10127.7 Ų27.754%0.5415%0.146SC..SBendtrans-68.5-36.8-178.4-66.8-47.8000112T177 T178 V179D120-T177 PolarHBondContact N-O 2.81Å; D120-T178 PolarHBondContact N-OG1 2.83Å; D120-T178 WeakPolarHBondContact OD2-CA 3.36Å; D120-T178 WeakPolarHBondContact OD2-CB 3.34Å; D120-T178 PolarHBondContact OD2-OG1 3.46Å; D120-V179 PolarHBondContact OD2-N 2.78Å
121N98.8Very high98.5Very high45 Ų4532 Ų3224%0.24116%0.164CC..EExtended strand (participates in β ladder)trans-153.6142.5-175.8-171.772.9000113.5C119 T160 T177C119-N121 PolarHBondContact SG-O 3.24Å; N121-T160 PolarHBondContact ND2-OG1 2.82Å; N121-T160 WeakPolarHBondContact OD1-CB 3.34Å; N121-T160 WeakPolarHBondContact OD1-CG2 3.49Å; N121-T160 PolarHBondContact OD1-OG1 2.94Å; N121-T177 PolarHBondContact N-O 2.85Å; N121-T177 VanDerWaalsContact N-O 3.1Å; N121-T177 PolarHBondContact O-N 3.42Å
122M98.9Very high98.4Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-117147.5166.5-63.8-168.981.500113.2V107 L108 F148 T157 S158 V159 T160 V175 A176V107-M122 HydrophobicContact CB-CE 4.06Å; V107-M122 HydrophobicContact CG1-CE 3.73Å; L108-M122 HydrophobicContact CD1-CE 4.33Å; L108-M122 HydrophobicContact CD1-SD 4.04Å; L108-M122 HydrophobicContact CD2-CE 4.03Å; L108-M122 HydrophobicContact CD2-CG 4.47Å; L108-M122 HydrophobicContact CD2-SD 3.84Å; L108-M122 HydrophobicContact CG-CE 3.78Å; L108-M122 HydrophobicContact CG-SD 3.94Å; M122-F148 HydrophobicContact CE-CE1 3.81Å; M122-F148 HydrophobicContact CE-CZ 3.83Å; M122-F148 HydrophobicContact SD-CE1 4.21Å; M122-T157 HydrophobicContact CG-CG2 3.66Å; M122-T157 HydrophobicContact SD-CG2 3.65Å; M122-S158 PolarHBondContact N-O 3.35Å; M122-S158 VanDerWaalsContact N-O 3.08Å; M122-V159 HydrophobicContact CB-CG2 4.22Å; M122-V159 WeakPolarHBondContact O-CA 3.42Å; M122-T160 PolarHBondContact O-N 2.92Å; M122-T160 VanDerWaalsContact O-N 3.14Å; M122-V175 WeakPolarHBondContact CA-O 3.41Å; M122-A176 HydrophobicContact CE-CB 4.33Å; M122-A176 HydrophobicContact CG-CB 4.48Å
123L98.9Very high98.3Very high62 Ų6235.5 Ų35.533%0.32519%0.187SC..EExtended strand (participates in β ladder)trans-115144.4163.2-56.5176000109.3G161 G174 V175L123-G161 VanDerWaalsContact CA-O 3.31Å; L123-G161 WeakPolarHBondContact CA-O 3.27Å; L123-G174 CarbonylContact O-C 3.58Å; L123-G174 WeakPolarHBondContact O-CA 3.27Å; L123-V175 HydrophobicContact CB-CB 4.12Å; L123-V175 HydrophobicContact CB-CG2 4.35Å; L123-V175 HydrophobicContact CD1-CB 4.45Å; L123-V175 HydrophobicContact CD1-CG2 4.45Å; L123-V175 HydrophobicContact CG-CB 4.47Å; L123-V175 PolarHBondContact N-O 2.88Å; L123-V175 PolarHBondContact O-N 3.13Å
124M98.8Very high98.3Very high24 Ų2442.3 Ų42.312%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-103.9130.5177.3-171.6178.266.300111.5L126 I145 F148 V159 G161 G162 Q163M124-L126 HydrophobicContact CE-CB 4.48Å; M124-L126 HydrophobicContact CE-CD2 4.08Å; M124-I145 HydrophobicContact CE-CD1 4.45Å; M124-I145 HydrophobicContact CE-CG1 3.97Å; M124-I145 HydrophobicContact CE-CG2 4.46Å; M124-I145 HydrophobicContact SD-CG1 4.36Å; M124-F148 HydrophobicContact CG-CD2 4.33Å; M124-F148 HydrophobicContact CG-CE2 4.29Å; M124-F148 HydrophobicContact CG-CG 4.49Å; M124-F148 HydrophobicContact CG-CZ 4.43Å; M124-F148 HydrophobicContact SD-CB 4.34Å; M124-F148 HydrophobicContact SD-CD1 4.49Å; M124-F148 HydrophobicContact SD-CD2 4.37Å; M124-F148 HydrophobicContact SD-CG 4.15Å; M124-V159 HydrophobicContact CB-CG1 3.78Å; M124-G161 PolarHBondContact N-O 2.81Å; M124-G162 CarbonylContact O-C 3.47Å; M124-G162 WeakPolarHBondContact O-CA 3.44Å; M124-Q163 PolarHBondContact O-N 2.91Å
125L98.9Very high98.2Very high55 Ų5547.5 Ų47.529%0.28824%0.241SC..EExtended strand (participates in β ladder)trans-105.1116.9174-59.5176.1000108.6G173L125-G173 PolarHBondContact N-O 2.79Å; L125-G173 PolarHBondContact O-N 2.99Å
126L98.7Very high98.2Very high8 Ų849.4 Ų49.44%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-129.3122.8-172.9-169.460.2000111.8M124 I145 Q163 T164 V165 V171 L172M124-L126 HydrophobicContact CE-CB 4.48Å; M124-L126 HydrophobicContact CE-CD2 4.08Å; L126-I145 HydrophobicContact CD2-CD1 4.22Å; L126-I145 HydrophobicContact CD2-CG1 4.3Å; L126-Q163 PolarHBondContact N-O 2.89Å; L126-T164 HydrophobicContact CB-CG2 4.19Å; L126-T164 HydrophobicContact CD2-CG2 4.05Å; L126-T164 HydrophobicContact CG-CG2 4.16Å; L126-T164 CarbonylContact O-C 3.56Å; L126-T164 VanDerWaalsContact O-CA 3.24Å; L126-T164 WeakPolarHBondContact O-CA 3.14Å; L126-V165 PolarHBondContact O-N 2.94Å; L126-V171 WeakPolarHBondContact CA-O 3.49Å; L126-L172 HydrophobicContact CD1-CD2 3.42Å; L126-L172 VanDerWaalsContact CD1-CD2 3.42Å
127G98.6Very high98.2Very high0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-106.5120.5168.300000109.5V165 V170 V171G127-V165 CarbonylContact C-O 3.45Å; G127-V165 WeakPolarHBondContact CA-O 3.37Å; G127-V170 VanDerWaalsContact O-CA 3.27Å; G127-V170 WeakPolarHBondContact O-CA 3.14Å; G127-V171 PolarHBondContact N-O 2.96Å; G127-V171 PolarHBondContact O-N 3.42Å
128I98.3Very high98.2Very high26 Ų2655.3 Ų55.313%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-91.6122.9173-59.5-179.8000107.9N130 L132 R137 M141 T164 V165 L166 N167I128-N130 PolarHBondContact O-N 2.87Å; I128-L132 HydrophobicContact CG2-CD1 4.39Å; I128-R137 HydrophobicContact CD1-CG 4.31Å; I128-R137 HydrophobicContact CG2-CG 3.86Å; I128-M141 HydrophobicContact CD1-CG 4.39Å; I128-M141 HydrophobicContact CG1-CG 4.38Å; I128-M141 HydrophobicContact CG1-SD 4.12Å; I128-T164 HydrophobicContact CD1-CG2 3.64Å; I128-T164 HydrophobicContact CG1-CG2 3.87Å; I128-V165 PolarHBondContact N-O 2.82Å; I128-L166 HydrophobicContact CB-CD2 4.44Å; I128-L166 WeakPolarHBondContact O-CA 3.5Å; I128-N167 PolarHBondContact O-N 3.38Å
129S98.1Very high98.1Very high2 Ų254.1 Ų54.11%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-59.9125.6177173.80000110.9F23 K131 L132 N167 P168F23-S129 WeakPolarHBondContact CD1-OG 3.47Å; S129-K131 PolarHBondContact O-N 3.49Å; S129-K131 VanDerWaalsContact O-N 3.15Å; S129-K131 WeakPolarHBondContact OG-CB 3.42Å; S129-K131 PolarHBondContact OG-N 3.35Å; S129-K131 VanDerWaalsContact OG-N 3.11Å; S129-L132 WeakPolarHBondContact O-CB 3.21Å; S129-L132 PolarHBondContact O-N 2.98Å; S129-L132 VanDerWaalsContact O-N 3.12Å; S129-N167 CarbonylContact C-O 3.51Å; S129-N167 WeakPolarHBondContact CA-O 3.31Å; S129-P168 PolarHBondContact OG-O 3.3Å
130N96.5Very high98.1Very high100 Ų10053.9 Ų53.954%0.53527%0.266SS..THydrogen-bonded Turntrans-68.8-4.8171.869.11.6000113.3I128 N167I128-N130 PolarHBondContact O-N 2.87Å; N130-N167 PolarHBondContact N-O 2.91Å
131K97.5Very high98.1Very high103 Ų10349.6 Ų49.645%0.44824%0.243SC..THydrogen-bonded Turntrans-92.6-9.9173.6-51.4177.6-175.61760112.7F23 E25 S129F23-K131 HydrophobicContact CD1-CB 4.07Å; F23-K131 HydrophobicContact CE1-CB 4.12Å; E25-K131 IonicContact OE1-NZ 3.14Å; E25-K131 PolarHBondContact OE1-NZ 2.97Å; E25-K131 VanDerWaalsContact OE1-NZ 3.08Å; S129-K131 PolarHBondContact O-N 3.49Å; S129-K131 VanDerWaalsContact O-N 3.15Å; S129-K131 WeakPolarHBondContact OG-CB 3.42Å; S129-K131 PolarHBondContact OG-N 3.35Å; S129-K131 VanDerWaalsContact OG-N 3.11Å
132L96.6Very high98.1Very high19 Ų1950.7 Ų50.710%0.09925%0.252CS..SBendtrans-75.1134171.2-76.2161.9000109.2F18 F23 I128 S129 E136 M141 V170F18-L132 HydrophobicContact CE2-CD2 4.01Å; F23-L132 HydrophobicContact CD1-CD2 4.3Å; F23-L132 HydrophobicContact CD1-CG 4.04Å; F23-L132 HydrophobicContact CD2-CD2 3.95Å; F23-L132 HydrophobicContact CD2-CG 4.35Å; F23-L132 HydrophobicContact CE1-CD2 3.77Å; F23-L132 HydrophobicContact CE1-CG 3.81Å; F23-L132 HydrophobicContact CE2-CD2 3.41Å; F23-L132 VanDerWaalsContact CE2-CD2 3.41Å; F23-L132 HydrophobicContact CE2-CG 4.18Å; F23-L132 HydrophobicContact CG-CD2 4.37Å; F23-L132 HydrophobicContact CG-CG 4.29Å; F23-L132 HydrophobicContact CZ-CD2 3.29Å; F23-L132 HydrophobicContact CZ-CG 3.89Å; I128-L132 HydrophobicContact CG2-CD1 4.39Å; S129-L132 WeakPolarHBondContact O-CB 3.21Å; S129-L132 PolarHBondContact O-N 2.98Å; S129-L132 VanDerWaalsContact O-N 3.12Å; L132-E136 HydrophobicContact CB-CB 4.5Å; L132-E136 HydrophobicContact CD2-CB 3.58Å; L132-E136 HydrophobicContact CD2-CG 4.49Å; L132-M141 HydrophobicContact CD1-CE 3.89Å; L132-V170 HydrophobicContact CD1-CG2 3.97Å
133S97.8Very high98.1Very high55 Ų5552.1 Ų52.139%0.38526%0.26SS..  trans-64.5159.2162.865.20000110.6K135 E136 R137S133-K135 PolarHBondContact O-N 3.46Å; S133-E136 WeakPolarHBondContact CB-OE2 3.43Å; S133-E136 PolarHBondContact N-OE2 3.05Å; S133-E136 PolarHBondContact O-N 3.46Å; S133-E136 VanDerWaalsContact OG-CD 3.28Å; S133-E136 VanDerWaalsContact OG-CG 3.23Å; S133-E136 WeakPolarHBondContact OG-CG 3.3Å; S133-E136 PolarHBondContact OG-N 3.46Å; S133-E136 PolarHBondContact OG-OE2 2.93Å; S133-R137 WeakPolarHBondContact O-CB 3.44Å; S133-R137 PolarHBondContact O-N 3.03Å
134E97.4Very high98.1Very high144 Ų14449.2 Ų49.267%0.67325%0.245SC*.Hα-helixtrans-58.4-38.7176.6-63.2-175.3160.700111.8R137 D138E134-R137 PolarHBondContact O-N 3.08Å; E134-D138 WeakPolarHBondContact O-CB 3.37Å; E134-D138 PolarHBondContact O-N 2.91Å
135K97.6Very high98.1Very high109 Ų10951.5 Ų51.547%0.47426%0.257SS..Hα-helixtrans-61.6-48.7175.9-171.2-175.6-172-1730111.8E13 S133 D138 K139E13-K135 WeakPolarHBondContact O-CE 3.47Å; E13-K135 PolarHBondContact O-NZ 2.76Å; S133-K135 PolarHBondContact O-N 3.46Å; K135-D138 PolarHBondContact O-N 3.21Å; K135-K139 VanDerWaalsContact O-CG 3.3Å; K135-K139 WeakPolarHBondContact O-CG 3.49Å; K135-K139 PolarHBondContact O-N 3.45Å
136E98.3Very high98.1Very high40 Ų4052.9 Ų52.919%0.18726%0.262CS..Hα-helixtrans-62.8-45.4177.7-69161.9134.500110.6L14 F18 L132 S133 D138 K139 V140L14-E136 HydrophobicContact CD2-CB 4.42Å; L14-E136 HydrophobicContact CD2-CG 4.01Å; F18-E136 HydrophobicContact CD2-CG 4.03Å; F18-E136 WeakPolarHBondContact CD2-OE1 3.46Å; F18-E136 HydrophobicContact CE2-CB 4.16Å; F18-E136 HydrophobicContact CE2-CG 4.04Å; L132-E136 HydrophobicContact CB-CB 4.5Å; L132-E136 HydrophobicContact CD2-CB 3.58Å; L132-E136 HydrophobicContact CD2-CG 4.49Å; S133-E136 WeakPolarHBondContact CB-OE2 3.43Å; S133-E136 PolarHBondContact N-OE2 3.05Å; S133-E136 PolarHBondContact O-N 3.46Å; S133-E136 VanDerWaalsContact OG-CD 3.28Å; S133-E136 VanDerWaalsContact OG-CG 3.23Å; S133-E136 WeakPolarHBondContact OG-CG 3.3Å; S133-E136 PolarHBondContact OG-N 3.46Å; S133-E136 PolarHBondContact OG-OE2 2.93Å; E136-D138 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 3.34Å; E136-V140 WeakPolarHBondContact O-CB 3.44Å; E136-V140 WeakPolarHBondContact O-CG2 3.41Å; E136-V140 PolarHBondContact O-N 3.16Å
137R98.1Very high98.1Very high81 Ų8152.5 Ų52.531%0.30626%0.26SS..Hα-helixtrans-54.1-52.3176.5-179.8-16370.4-157.8-5.6111.4I128 S133 E134 K139 V140 M141I128-R137 HydrophobicContact CD1-CG 4.31Å; I128-R137 HydrophobicContact CG2-CG 3.86Å; S133-R137 WeakPolarHBondContact O-CB 3.44Å; S133-R137 PolarHBondContact O-N 3.03Å; E134-R137 PolarHBondContact O-N 3.08Å; R137-K139 VanDerWaalsContact C-N 3.26Å; R137-K139 PolarHBondContact O-N 2.83Å; R137-V140 PolarHBondContact O-N 2.86Å; R137-M141 HydrophobicContact CG-CG 3.83Å; R137-M141 VanDerWaalsContact O-CB 3.3Å; R137-M141 WeakPolarHBondContact O-CB 3.48Å; R137-M141 WeakPolarHBondContact O-CG 3.39Å; R137-M141 PolarHBondContact O-N 3.42Å
138D98Very high98.1Very high91 Ų9152.7 Ų52.749%0.48726%0.26SS..Hα-helixtrans-72.2-18.7-172.3-66.7-12.4000113.2E134 K135 E136 P142E134-D138 WeakPolarHBondContact O-CB 3.37Å; E134-D138 PolarHBondContact O-N 2.91Å; K135-D138 PolarHBondContact O-N 3.21Å; E136-D138 PolarHBondContact O-N 2.8Å; D138-P142 WeakPolarHBondContact O-CD 3.31Å; D138-P142 VanDerWaalsContact O-CG 3.26Å; D138-P142 WeakPolarHBondContact O-CG 3.22Å
139K97.9Very high98.1Very high67 Ų6755.4 Ų55.429%0.29127%0.271SS..Hα-helixtrans-92.2-36.8173.2-63.9-70.5-170.2168.20112.6E13 L14 K135 E136 R137 L143E13-K139 IonicContact OE1-NZ 2.79Å; E13-K139 PolarHBondContact OE1-NZ 3.38Å; E13-K139 IonicContact OE2-NZ 3.42Å; L14-K139 HydrophobicContact CD2-CB 4.1Å; L14-K139 HydrophobicContact CD2-CG 4.22Å; K135-K139 VanDerWaalsContact O-CG 3.3Å; K135-K139 WeakPolarHBondContact O-CG 3.49Å; K135-K139 PolarHBondContact O-N 3.45Å; E136-K139 PolarHBondContact O-N 3.34Å; R137-K139 VanDerWaalsContact C-N 3.26Å; R137-K139 PolarHBondContact O-N 2.83Å; K139-L143 WeakPolarHBondContact O-CG 3.2Å
140V98.3Very high98.2Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-89.7-43.4-170.51760000112.2L14 F18 L20 P96 E136 R137 L143 I144L14-V140 HydrophobicContact CD1-CG2 3.69Å; F18-V140 HydrophobicContact CE1-CG2 3.92Å; F18-V140 HydrophobicContact CE2-CG2 4.07Å; F18-V140 HydrophobicContact CZ-CB 4.43Å; F18-V140 HydrophobicContact CZ-CG1 4.16Å; F18-V140 HydrophobicContact CZ-CG2 3.45Å; F18-V140 VanDerWaalsContact CZ-CG2 3.45Å; L20-V140 HydrophobicContact CD1-CG1 3.71Å; P96-V140 HydrophobicContact CB-CG1 3.78Å; P96-V140 HydrophobicContact CG-CG1 3.8Å; E136-V140 WeakPolarHBondContact O-CB 3.44Å; E136-V140 WeakPolarHBondContact O-CG2 3.41Å; E136-V140 PolarHBondContact O-N 3.16Å; R137-V140 PolarHBondContact O-N 2.86Å; V140-L143 WeakPolarHBondContact O-CB 3.29Å; V140-L143 PolarHBondContact O-N 2.91Å; V140-I144 HydrophobicContact CG1-CD1 4.09Å; V140-I144 PolarHBondContact O-N 3.28Å
141M98.4Very high98.3Very high10 Ų1052.4 Ų52.45%0.04926%0.255CS..Hα-helixtrans-63.1-41.3-176.8-63.6-61.1105.100112.7I128 L132 R137 L143 I144 I145 V170I128-M141 HydrophobicContact CD1-CG 4.39Å; I128-M141 HydrophobicContact CG1-CG 4.38Å; I128-M141 HydrophobicContact CG1-SD 4.12Å; L132-M141 HydrophobicContact CD1-CE 3.89Å; R137-M141 HydrophobicContact CG-CG 3.83Å; R137-M141 VanDerWaalsContact O-CB 3.3Å; R137-M141 WeakPolarHBondContact O-CB 3.48Å; R137-M141 WeakPolarHBondContact O-CG 3.39Å; R137-M141 PolarHBondContact O-N 3.42Å; M141-L143 VanDerWaalsContact C-N 3.25Å; M141-L143 PolarHBondContact O-N 3.11Å; M141-I144 HydrophobicContact CE-CD1 3.52Å; M141-I144 WeakPolarHBondContact O-CB 3.15Å; M141-I144 PolarHBondContact O-N 3.07Å; M141-I144 HydrophobicContact SD-CD1 4.2Å; M141-I145 VanDerWaalsContact O-CG1 3.25Å; M141-I145 WeakPolarHBondContact O-CG1 3.14Å; M141-I145 PolarHBondContact O-N 3.32Å; M141-V170 HydrophobicContact CE-CG2 4.38Å
142P98.6Very high98.3Very high69 Ų6947.6 Ų47.645%0.44823%0.234SC..Hα-helixtrans-60.2-34176.2-26.937.6000113.5D138 I145 Q146D138-P142 WeakPolarHBondContact O-CD 3.31Å; D138-P142 VanDerWaalsContact O-CG 3.26Å; D138-P142 WeakPolarHBondContact O-CG 3.22Å; P142-I145 PolarHBondContact O-N 3.14Å; P142-Q146 VanDerWaalsContact O-CB 3.26Å; P142-Q146 WeakPolarHBondContact O-CB 3.35Å; P142-Q146 PolarHBondContact O-N 3.14Å
143L98.6Very high98.4Very high30 Ų3051.7 Ų51.716%0.15725%0.253CS..Hα-helixtrans-67-44.9176.5-64.7175.4000111.4F7 Y12 P96 Y97 K139 V140 M141 I145 Q146 G147F7-L143 HydrophobicContact CE2-CD1 4.09Å; Y12-L143 HydrophobicContact CD1-CD1 4.01Å; Y12-L143 HydrophobicContact CE1-CD1 3.66Å; Y12-L143 HydrophobicContact CE1-CD2 3.89Å; Y12-L143 HydrophobicContact CE1-CG 4.29Å; Y12-L143 HydrophobicContact CE2-CD1 4.39Å; P96-L143 HydrophobicContact CB-CB 3.89Å; P96-L143 HydrophobicContact CB-CD1 4.28Å; P96-L143 HydrophobicContact CG-CD1 4.22Å; Y97-L143 VanDerWaalsContact CA-O 3.29Å; Y97-L143 WeakPolarHBondContact CA-O 3.12Å; K139-L143 WeakPolarHBondContact O-CG 3.2Å; V140-L143 WeakPolarHBondContact O-CB 3.29Å; V140-L143 PolarHBondContact O-N 2.91Å; M141-L143 VanDerWaalsContact C-N 3.25Å; M141-L143 PolarHBondContact O-N 3.11Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-Q146 PolarHBondContact O-N 3.04Å; L143-G147 PolarHBondContact O-N 2.86Å
144I98.8Very high98.4Very high1 Ų152.6 Ų52.61%0.00525%0.251CS..Hα-helixtrans-57.7-49.3174.1-72168000110.4L20 P96 G100 V140 M141 Q146 G147 F148 L172L20-I144 HydrophobicContact CD1-CD1 4.34Å; L20-I144 HydrophobicContact CD2-CD1 4.15Å; P96-I144 HydrophobicContact CB-CD1 4.39Å; P96-I144 HydrophobicContact CB-CG1 3.79Å; P96-I144 WeakPolarHBondContact O-CA 3.08Å; P96-I144 WeakPolarHBondContact O-CG1 3.43Å; G100-I144 VanDerWaalsContact CA-O 3.32Å; G100-I144 WeakPolarHBondContact CA-O 3.3Å; V140-I144 HydrophobicContact CG1-CD1 4.09Å; V140-I144 PolarHBondContact O-N 3.28Å; M141-I144 HydrophobicContact CE-CD1 3.52Å; M141-I144 WeakPolarHBondContact O-CB 3.15Å; M141-I144 PolarHBondContact O-N 3.07Å; M141-I144 HydrophobicContact SD-CD1 4.2Å; I144-Q146 VanDerWaalsContact C-N 3.32Å; I144-Q146 PolarHBondContact O-N 3.14Å; I144-G147 PolarHBondContact O-N 3.38Å; I144-F148 PolarHBondContact O-N 3.15Å; I144-L172 HydrophobicContact CD1-CD2 4.27Å; I144-L172 HydrophobicContact CG2-CD1 4.46Å; I144-L172 HydrophobicContact CG2-CD2 3.41Å; I144-L172 VanDerWaalsContact CG2-CD2 3.41Å
145I98.8Very high98.5Very high72 Ų7245.8 Ų45.837%0.36922%0.219SC..Hα-helixtrans-62.8-41.7-179.2-63.8168.4000110.3M124 L126 M141 P142 L143 F148 K149M124-I145 HydrophobicContact CE-CD1 4.45Å; M124-I145 HydrophobicContact CE-CG1 3.97Å; M124-I145 HydrophobicContact CE-CG2 4.46Å; M124-I145 HydrophobicContact SD-CG1 4.36Å; L126-I145 HydrophobicContact CD2-CD1 4.22Å; L126-I145 HydrophobicContact CD2-CG1 4.3Å; M141-I145 VanDerWaalsContact O-CG1 3.25Å; M141-I145 WeakPolarHBondContact O-CG1 3.14Å; M141-I145 PolarHBondContact O-N 3.32Å; P142-I145 PolarHBondContact O-N 3.14Å; L143-I145 VanDerWaalsContact C-N 3.35Å; I145-F148 PolarHBondContact O-N 3.19Å; I145-K149 VanDerWaalsContact O-CB 3.3Å; I145-K149 WeakPolarHBondContact O-CB 3.46Å; I145-K149 PolarHBondContact O-N 3.34Å
146Q98.8Very high98.5Very high84 Ų8443 Ų4339%0.39322%0.222SC..Hα-helixtrans-62.7-43.7176-171.566.155.900111.7Y97 P142 L143 I144 K149 D150Y97-Q146 HydrophobicContact CD2-CB 4.22Å; Y97-Q146 HydrophobicContact CD2-CG 4.18Å; Y97-Q146 HydrophobicContact CE2-CB 4.45Å; Y97-Q146 HydrophobicContact CE2-CG 4Å; P142-Q146 VanDerWaalsContact O-CB 3.26Å; P142-Q146 WeakPolarHBondContact O-CB 3.35Å; P142-Q146 PolarHBondContact O-N 3.14Å; L143-Q146 PolarHBondContact O-N 3.04Å; I144-Q146 VanDerWaalsContact C-N 3.32Å; I144-Q146 PolarHBondContact O-N 3.14Å; Q146-K149 PolarHBondContact O-N 2.81Å; Q146-D150 PolarHBondContact NE2-OD1 3.37Å; Q146-D150 WeakPolarHBondContact O-CB 3.48Å; Q146-D150 VanDerWaalsContact O-CG 3.24Å; Q146-D150 PolarHBondContact O-N 2.98Å
147G98.8Very high98.5Very high0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-61.8-43.9175.600000112.5Y97 R101 L143 I144 D150 A151Y97-G147 WeakPolarHBondContact O-CA 3.33Å; R101-G147 WeakPolarHBondContact CG-O 3.49Å; L143-G147 PolarHBondContact O-N 2.86Å; I144-G147 PolarHBondContact O-N 3.38Å; G147-D150 PolarHBondContact O-N 2.91Å; G147-A151 PolarHBondContact O-N 3.12Å; G147-A151 VanDerWaalsContact O-N 3.1Å
148F98.9Very high98.5Very high4 Ų440.7 Ų40.72%0.01822%0.222CC..Hα-helixtrans-61.9-45.9175.7-160.3-68.5000111.1G100 A103 C104 M122 M124 I144 I145 A151 S152 V159 G173G100-F148 WeakPolarHBondContact O-CA 3.27Å; A103-F148 HydrophobicContact CB-CD2 4.19Å; A103-F148 HydrophobicContact CB-CE2 4.27Å; C104-F148 HydrophobicContact CB-CB 4.36Å; C104-F148 HydrophobicContact CB-CD1 3.76Å; C104-F148 HydrophobicContact CB-CD2 3.71Å; C104-F148 HydrophobicContact CB-CE1 3.86Å; C104-F148 HydrophobicContact CB-CE2 3.83Å; C104-F148 HydrophobicContact CB-CG 3.68Å; C104-F148 HydrophobicContact CB-CZ 3.91Å; M122-F148 HydrophobicContact CE-CE1 3.81Å; M122-F148 HydrophobicContact CE-CZ 3.83Å; M122-F148 HydrophobicContact SD-CE1 4.21Å; M124-F148 HydrophobicContact CG-CD2 4.33Å; M124-F148 HydrophobicContact CG-CE2 4.29Å; M124-F148 HydrophobicContact CG-CG 4.49Å; M124-F148 HydrophobicContact CG-CZ 4.43Å; M124-F148 HydrophobicContact SD-CB 4.34Å; M124-F148 HydrophobicContact SD-CD1 4.49Å; M124-F148 HydrophobicContact SD-CD2 4.37Å; M124-F148 HydrophobicContact SD-CG 4.15Å; I144-F148 PolarHBondContact O-N 3.15Å; I145-F148 PolarHBondContact O-N 3.19Å; F148-A151 PolarHBondContact O-N 3.15Å; F148-S152 PolarHBondContact O-N 3.33Å; F148-V159 HydrophobicContact CD1-CG2 3.67Å; F148-V159 HydrophobicContact CE1-CG2 3.69Å; F148-G173 WeakPolarHBondContact CE2-O 3.34Å
149K98.8Very high98.5Very high82 Ų8238.8 Ų38.836%0.35721%0.213SC..Hα-helixtrans-57.4-51.7176.3176-176.1167.6-70.90111.4I145 Q146 A151 S152 E153I145-K149 VanDerWaalsContact O-CB 3.3Å; I145-K149 WeakPolarHBondContact O-CB 3.46Å; I145-K149 PolarHBondContact O-N 3.34Å; Q146-K149 PolarHBondContact O-N 2.81Å; K149-A151 VanDerWaalsContact C-N 3.33Å; K149-A151 PolarHBondContact O-N 3.38Å; K149-S152 WeakPolarHBondContact CA-OG 3.37Å; K149-S152 WeakPolarHBondContact O-CB 3.43Å; K149-S152 PolarHBondContact O-N 3.42Å; K149-S152 VanDerWaalsContact O-N 3.08Å; K149-S152 PolarHBondContact O-OG 3.32Å; K149-E153 WeakPolarHBondContact CE-OE1 3.2Å; K149-E153 IonicContact NZ-OE1 3.79Å; K149-E153 PolarHBondContact NZ-OE1 3.19Å; K149-E153 IonicContact NZ-OE2 2.74Å; K149-E153 PolarHBondContact NZ-OE2 3.46Å; K149-E153 PolarHBondContact O-N 3.19Å
150D98.8Very high98.6Very high40 Ų4039.9 Ų39.921%0.21423%0.226CC..Hα-helixtrans-64.1-38.2-176.3-69.70.7000112.1Y97 Q146 G147 E153 E154Y97-D150 HydrophobicContact CE2-CB 4.49Å; Y97-D150 WeakPolarHBondContact CE2-OD2 3.29Å; Y97-D150 WeakPolarHBondContact OH-CB 3.14Å; Y97-D150 PolarHBondContact OH-OD2 3.01Å; Q146-D150 PolarHBondContact NE2-OD1 3.37Å; Q146-D150 WeakPolarHBondContact O-CB 3.48Å; Q146-D150 VanDerWaalsContact O-CG 3.24Å; Q146-D150 PolarHBondContact O-N 2.98Å; G147-D150 PolarHBondContact O-N 2.91Å; D150-E153 PolarHBondContact O-N 3.46Å; D150-E154 PolarHBondContact O-N 3.01Å
151A98.8Very high98.5Very high0 Ų041.4 Ų41.40%024%0.242CC..Hα-helixtrans-65.7-37.7172.900000112.1R101 C104 G147 F148 K149 E154 A155R101-A151 HydrophobicContact CB-CB 4.32Å; R101-A151 HydrophobicContact CG-CB 4.11Å; C104-A151 HydrophobicContact CB-CB 3.72Å; G147-A151 PolarHBondContact O-N 3.12Å; G147-A151 VanDerWaalsContact O-N 3.1Å; F148-A151 PolarHBondContact O-N 3.15Å; K149-A151 VanDerWaalsContact C-N 3.33Å; K149-A151 PolarHBondContact O-N 3.38Å; A151-E154 PolarHBondContact O-N 2.97Å; A151-A155 WeakPolarHBondContact O-CB 3.4Å; A151-A155 PolarHBondContact O-N 2.89Å
152S98.6Very high98.5Very high1 Ų143.3 Ų43.31%0.00726%0.264CS..Hα-helixtrans-65.9-38.8174.373.50000112.3F148 K149 A155 G156 T157F148-S152 PolarHBondContact O-N 3.33Å; K149-S152 WeakPolarHBondContact CA-OG 3.37Å; K149-S152 WeakPolarHBondContact O-CB 3.43Å; K149-S152 PolarHBondContact O-N 3.42Å; K149-S152 VanDerWaalsContact O-N 3.08Å; K149-S152 PolarHBondContact O-OG 3.32Å; S152-A155 CarbonylContact O-C 3.54Å; S152-A155 WeakPolarHBondContact O-CA 3.1Å; S152-A155 WeakPolarHBondContact O-CB 3.44Å; S152-A155 PolarHBondContact O-N 3.16Å; S152-A155 VanDerWaalsContact O-N 3.16Å; S152-G156 PolarHBondContact O-N 3.46Å; S152-T157 CarbonylContact C-O 3.58Å; S152-T157 CarbonylContact O-C 3.58Å; S152-T157 WeakPolarHBondContact O-CG2 3.26Å; S152-T157 PolarHBondContact O-N 3.48Å
153E98.6Very high98.5Very high105 Ų10545.7 Ų45.749%0.49127%0.269SS..Hα-helixtrans-66.1-40.6175.4-73178.6163.400111.6K149 D150 A155 G156K149-E153 WeakPolarHBondContact CE-OE1 3.2Å; K149-E153 IonicContact NZ-OE1 3.79Å; K149-E153 PolarHBondContact NZ-OE1 3.19Å; K149-E153 IonicContact NZ-OE2 2.74Å; K149-E153 PolarHBondContact NZ-OE2 3.46Å; K149-E153 PolarHBondContact O-N 3.19Å; D150-E153 PolarHBondContact O-N 3.46Å; E153-A155 VanDerWaalsContact C-N 3.26Å; E153-A155 PolarHBondContact O-N 3.33Å; E153-G156 PolarHBondContact O-N 2.88Å
154E98Very high98.5Very high75 Ų7547.7 Ų47.735%0.3528%0.283SS..Hα-helixtrans-61.2-35.7171.5-175.3-179133.300112.2M1 R101 D150 A151 G156 L247 R249M1-E154 VanDerWaalsContact CE-OE2 3.24Å; M1-E154 WeakPolarHBondContact CE-OE2 3.11Å; R101-E154 IonicContact CZ-OE2 3.85Å; R101-E154 IonicContact NH1-OE2 2.65Å; R101-E154 PolarHBondContact NH1-OE2 3.31Å; R101-E154 IonicContact NH2-OE1 3.96Å; R101-E154 IonicContact NH2-OE2 2.95Å; R101-E154 PolarHBondContact NH2-OE2 3.18Å; D150-E154 PolarHBondContact O-N 3.01Å; A151-E154 PolarHBondContact O-N 2.97Å; E154-G156 PolarHBondContact O-N 2.69Å; E154-L247 HydrophobicContact CB-CD1 4.17Å; E154-L247 HydrophobicContact CG-CD1 3.93Å; E154-R249 PolarHBondContact O-NH1 3.32Å
155A98.1Very high98.5Very high0 Ų051 Ų510%030%0.303CS..THydrogen-bonded Turntrans-72.8-5.2173.700000113.6L108 Y112 A151 S152 E153 T157 L247 R249L108-A155 HydrophobicContact CD1-CB 3.51Å; Y112-A155 WeakPolarHBondContact OH-CB 3.48Å; A151-A155 WeakPolarHBondContact O-CB 3.4Å; A151-A155 PolarHBondContact O-N 2.89Å; S152-A155 CarbonylContact O-C 3.54Å; S152-A155 WeakPolarHBondContact O-CA 3.1Å; S152-A155 WeakPolarHBondContact O-CB 3.44Å; S152-A155 PolarHBondContact O-N 3.16Å; S152-A155 VanDerWaalsContact O-N 3.16Å; E153-A155 VanDerWaalsContact C-N 3.26Å; E153-A155 PolarHBondContact O-N 3.33Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 HydrophobicContact CB-CG2 4.17Å; A155-L247 HydrophobicContact CB-CD1 3.75Å; A155-R249 VanDerWaalsContact O-CZ 3.26Å; A155-R249 PolarHBondContact O-NH1 2.72Å
156G98.3Very high98.4Very high51 Ų5154.1 Ų54.153%0.52632%0.319SS..THydrogen-bonded Turntrans75.320-177.600000113.8S152 E153 E154S152-G156 PolarHBondContact O-N 3.46Å; E153-G156 PolarHBondContact O-N 2.88Å; E154-G156 PolarHBondContact O-N 2.69Å
157T98.7Very high98.4Very high13 Ų1352.6 Ų52.68%0.0831%0.314CS..  trans-126-177.6-178.3-162.40000111.4C119 M122 S152 A155C119-T157 HydrophobicContact CB-CG2 4.08Å; C119-T157 WeakPolarHBondContact O-CB 3.41Å; C119-T157 PolarHBondContact O-OG1 3.01Å; M122-T157 HydrophobicContact CG-CG2 3.66Å; M122-T157 HydrophobicContact SD-CG2 3.65Å; S152-T157 CarbonylContact C-O 3.58Å; S152-T157 CarbonylContact O-C 3.58Å; S152-T157 WeakPolarHBondContact O-CG2 3.26Å; S152-T157 PolarHBondContact O-N 3.48Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 HydrophobicContact CB-CG2 4.17Å
158S98.1Very high98.3Very high60 Ų6055.8 Ų55.842%0.4234%0.335SS..  trans-143.2155.8176.367.30000111.9M122M122-S158 PolarHBondContact N-O 3.35Å; M122-S158 VanDerWaalsContact N-O 3.08Å
159V98.6Very high98.2Very high50 Ų5058 Ų5830%0.30334%0.343SS..EExtended strand (participates in β ladder)trans-87.9113.7170.7-177.30000108.7M122 M124 F148 G161M122-V159 HydrophobicContact CB-CG2 4.22Å; M122-V159 WeakPolarHBondContact O-CA 3.42Å; M124-V159 HydrophobicContact CB-CG1 3.78Å; F148-V159 HydrophobicContact CD1-CG2 3.67Å; F148-V159 HydrophobicContact CE1-CG2 3.69Å; V159-G161 WeakPolarHBondContact CG1-O 3.26Å
160T98.5Very high98.2Very high90 Ų9054.1 Ų54.155%0.55233%0.326SS*.EExtended strand (participates in β ladder)trans-106.6-5.3-17663.50000113.7N121 M122N121-T160 PolarHBondContact ND2-OG1 2.82Å; N121-T160 WeakPolarHBondContact OD1-CB 3.34Å; N121-T160 WeakPolarHBondContact OD1-CG2 3.49Å; N121-T160 PolarHBondContact OD1-OG1 2.94Å; M122-T160 PolarHBondContact O-N 2.92Å; M122-T160 VanDerWaalsContact O-N 3.14Å
161G97.9Very high98.1Very high33 Ų3353.2 Ų53.234%0.3432%0.322SS..EExtended strand (participates in β ladder)trans-174.2-173.218000000111.7L123 M124 V159L123-G161 VanDerWaalsContact CA-O 3.31Å; L123-G161 WeakPolarHBondContact CA-O 3.27Å; M124-G161 PolarHBondContact N-O 2.81Å; V159-G161 WeakPolarHBondContact CG1-O 3.26Å
162G98Very high98.1Very high50 Ų5053.3 Ų53.352%0.51532%0.323SS..EExtended strand (participates in β ladder)trans160.1-171.5-177.800000112.7M124M124-G162 CarbonylContact O-C 3.47Å; M124-G162 WeakPolarHBondContact O-CA 3.44Å
163Q98.4Very high98.1Very high118 Ų11853.3 Ų53.355%0.55132%0.323SS*.EExtended strand (participates in β ladder)trans-136.1131.6175.3-178.662.210.500109.7M124 L126 V165M124-Q163 PolarHBondContact O-N 2.91Å; L126-Q163 PolarHBondContact N-O 2.89Å; Q163-V165 HydrophobicContact CG-CG1 3.99Å
164T98.4Very high98.1Very high73 Ų7348.3 Ų48.345%0.44830%0.299SS..EExtended strand (participates in β ladder)trans-119.4124.9174.1-57.20000110.1L126 I128L126-T164 HydrophobicContact CB-CG2 4.19Å; L126-T164 HydrophobicContact CD2-CG2 4.05Å; L126-T164 HydrophobicContact CG-CG2 4.16Å; L126-T164 CarbonylContact O-C 3.56Å; L126-T164 VanDerWaalsContact O-CA 3.24Å; L126-T164 WeakPolarHBondContact O-CA 3.14Å; I128-T164 HydrophobicContact CD1-CG2 3.64Å; I128-T164 HydrophobicContact CG1-CG2 3.87Å
165V98.1Very high98.2Very high70 Ų7046 Ų4642%0.42429%0.29SS..EExtended strand (participates in β ladder)trans-135.1160.6-178.8-64.40000111.9L126 G127 I128 Q163L126-V165 PolarHBondContact O-N 2.94Å; G127-V165 CarbonylContact C-O 3.45Å; G127-V165 WeakPolarHBondContact CA-O 3.37Å; I128-V165 PolarHBondContact N-O 2.82Å; Q163-V165 HydrophobicContact CG-CG1 3.99Å
166L97.9Very high98.2Very high137 Ų13746 Ų4672%0.71729%0.29SS*.EExtended strand (participates in β ladder)trans-74.1139.6166.6-64.5176.6000110.1I128I128-L166 HydrophobicContact CB-CD2 4.44Å; I128-L166 WeakPolarHBondContact O-CA 3.5Å
167N97.6Very high98.2Very high53 Ų5345 Ų4528%0.28327%0.274SS..EExtended strand (participates in β ladder)trans-147.7155.7177.8-171-80.9000109.6I128 S129 N130 W169 V171I128-N167 PolarHBondContact O-N 3.38Å; S129-N167 CarbonylContact C-O 3.51Å; S129-N167 WeakPolarHBondContact CA-O 3.31Å; N130-N167 PolarHBondContact N-O 2.91Å; N167-W169 WeakPolarHBondContact CB-O 3.44Å; N167-W169 PolarHBondContact O-N 2.92Å; N167-W169 PolarHBondContact OD1-N 3.22Å; N167-W169 PolarHBondContact OD1-O 3.21Å; N167-V171 HydrophobicContact CB-CG2 4.5Å
168P96.4Very high98.2Very high66 Ų6644.6 Ų44.643%0.42927%0.272SS..SBendtrans-61.4-24.6173-27.536.9000114.7S129S129-P168 PolarHBondContact OG-O 3.3Å
169W97.3Very high98.3Very high51 Ų5144.6 Ų44.619%0.19327%0.269CS..SBendtrans-120.9158.6179-60.4-24.6000110.8F23 E25 L26 Y90 N167 V171F23-W169 CarbonylContact O-C 3.35Å; F23-W169 WeakPolarHBondContact O-CA 3.5Å; F23-W169 VanDerWaalsContact O-CB 3.23Å; F23-W169 WeakPolarHBondContact O-CB 3.43Å; E25-W169 HydrophobicContact CB-CZ2 3.81Å; E25-W169 HydrophobicContact CG-CZ2 4.37Å; L26-W169 HydrophobicContact CD1-CH2 3.79Å; L26-W169 HydrophobicContact CD1-CZ3 3.5Å; L26-W169 HydrophobicContact CD2-CH2 4.24Å; L26-W169 HydrophobicContact CG-CH2 3.6Å; L26-W169 HydrophobicContact CG-CZ3 3.75Å; Y90-W169 HydrophobicContact CD1-CB 4.02Å; Y90-W169 HydrophobicContact CD1-CE3 4Å; Y90-W169 HydrophobicContact CE1-CB 4.17Å; Y90-W169 HydrophobicContact CE1-CD2 4.46Å; Y90-W169 AromaticContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CZ3 4.35Å; Y90-W169 HydrophobicContact CE2-CE3 4.46Å; Y90-W169 AromaticContact CZ-CE3 3.81Å; N167-W169 WeakPolarHBondContact CB-O 3.44Å; N167-W169 PolarHBondContact O-N 2.92Å; N167-W169 PolarHBondContact OD1-N 3.22Å; N167-W169 PolarHBondContact OD1-O 3.21Å; W169-V171 PolarHBondContact O-N 2.9Å
170V98.1Very high98.2Very high0 Ų042.3 Ų42.30%026%0.255CS..  trans-73.2125.8168171.10000108.3L20 F23 Y90 P91 G127 L132 M141 L172L20-V170 HydrophobicContact CD1-CG2 4.46Å; F23-V170 HydrophobicContact CB-CB 4.39Å; F23-V170 HydrophobicContact CB-CG2 3.77Å; F23-V170 HydrophobicContact CG-CG2 4.41Å; F23-V170 PolarHBondContact O-N 3.36Å; Y90-V170 VanDerWaalsContact CD1-O 3.29Å; Y90-V170 WeakPolarHBondContact CD1-O 3.5Å; P91-V170 WeakPolarHBondContact CD-O 3.47Å; P91-V170 HydrophobicContact CG-CB 3.64Å; P91-V170 HydrophobicContact CG-CG1 3.77Å; G127-V170 VanDerWaalsContact O-CA 3.27Å; G127-V170 WeakPolarHBondContact O-CA 3.14Å; L132-V170 HydrophobicContact CD1-CG2 3.97Å; M141-V170 HydrophobicContact CE-CG2 4.38Å; V170-L172 HydrophobicContact CG1-CD1 4.15Å; V170-L172 HydrophobicContact CG1-CD2 3.98Å; V170-L172 HydrophobicContact CG1-CG 3.88Å
171V98.5Very high98.2Very high21 Ų2141.9 Ų41.913%0.12725%0.247CC..EExtended strand (participates in β ladder)trans-113.9132.1177-179.30000108.8Y88 Y90 L126 G127 N167 W169Y88-V171 HydrophobicContact CD2-CG1 3.69Å; Y88-V171 HydrophobicContact CE2-CG1 4.49Å; Y88-V171 HydrophobicContact CG-CG1 4.09Å; Y90-V171 HydrophobicContact CD1-CG2 4.26Å; Y90-V171 HydrophobicContact CE1-CG2 3.76Å; L126-V171 WeakPolarHBondContact CA-O 3.49Å; G127-V171 PolarHBondContact N-O 2.96Å; G127-V171 PolarHBondContact O-N 3.42Å; N167-V171 HydrophobicContact CB-CG2 4.5Å; W169-V171 PolarHBondContact O-N 2.9Å
172L98.4Very high98Very high3 Ų343.7 Ų43.72%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-134.4116.1-175.6-58.8172.3000109.7Y88 I89 M99 A103 L126 I144 V170Y88-L172 CarbonylContact C-O 3.58Å; Y88-L172 WeakPolarHBondContact CA-O 3.5Å; I89-L172 WeakPolarHBondContact CG1-O 3.11Å; I89-L172 PolarHBondContact N-O 3.01Å; I89-L172 PolarHBondContact O-N 2.91Å; M99-L172 HydrophobicContact CB-CD1 4.43Å; M99-L172 HydrophobicContact CE-CD1 4Å; M99-L172 HydrophobicContact CG-CD1 3.35Å; M99-L172 HydrophobicContact SD-CD1 4.43Å; A103-L172 HydrophobicContact CB-CB 3.71Å; L126-L172 HydrophobicContact CD1-CD2 3.42Å; L126-L172 VanDerWaalsContact CD1-CD2 3.42Å; I144-L172 HydrophobicContact CD1-CD2 4.27Å; I144-L172 HydrophobicContact CG2-CD1 4.46Å; I144-L172 HydrophobicContact CG2-CD2 3.41Å; I144-L172 VanDerWaalsContact CG2-CD2 3.41Å; V170-L172 HydrophobicContact CG1-CD1 4.15Å; V170-L172 HydrophobicContact CG1-CD2 3.98Å; V170-L172 HydrophobicContact CG1-CG 3.88Å
173G98.4Very high97.9Very high1 Ų147.1 Ų47.11%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-167.7-162-179.700000112.4D87 L125 F148D87-G173 CarbonylContact O-C 3.56Å; D87-G173 WeakPolarHBondContact O-CA 3.46Å; L125-G173 PolarHBondContact N-O 2.79Å; L125-G173 PolarHBondContact O-N 2.99Å; F148-G173 WeakPolarHBondContact CE2-O 3.34Å
174G98.7Very high97.9Very high0 Ų045.7 Ų45.70%025%0.252CS..EExtended strand (participates in β ladder)trans179-173.2-176.900000114T86 D87 L123T86-G174 VanDerWaalsContact CA-O 3.3Å; T86-G174 WeakPolarHBondContact CA-O 3.47Å; T86-G174 WeakPolarHBondContact CB-O 3.38Å; T86-G174 PolarHBondContact OG1-O 3.29Å; D87-G174 PolarHBondContact N-O 3.42Å; D87-G174 PolarHBondContact O-N 3.02Å; L123-G174 CarbonylContact O-C 3.58Å; L123-G174 WeakPolarHBondContact O-CA 3.27Å
175V98.9Very high97.9Very high27 Ų2742.9 Ų42.916%0.16423%0.234CC..EExtended strand (participates in β ladder)trans-125.1136.5171.3-177.50000106.6T85 M122 L123T85-V175 WeakPolarHBondContact O-CA 3.49Å; T85-V175 WeakPolarHBondContact O-CG1 3.39Å; M122-V175 WeakPolarHBondContact CA-O 3.41Å; L123-V175 HydrophobicContact CB-CB 4.12Å; L123-V175 HydrophobicContact CB-CG2 4.35Å; L123-V175 HydrophobicContact CD1-CB 4.45Å; L123-V175 HydrophobicContact CD1-CG2 4.45Å; L123-V175 HydrophobicContact CG-CB 4.47Å; L123-V175 PolarHBondContact N-O 2.88Å; L123-V175 PolarHBondContact O-N 3.13Å
176A98.9Very high97.9Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-119132.6167.700000108.8Q84 T85 V107 L108 L111 M122Q84-A176 VanDerWaalsContact CA-O 3.28Å; Q84-A176 WeakPolarHBondContact CA-O 3.46Å; T85-A176 HydrophobicContact CG2-CB 4.11Å; T85-A176 PolarHBondContact N-O 3.04Å; T85-A176 PolarHBondContact O-N 2.86Å; T85-A176 VanDerWaalsContact O-N 3.1Å; V107-A176 HydrophobicContact CG1-CB 3.94Å; L108-A176 HydrophobicContact CD2-CB 3.93Å; L111-A176 HydrophobicContact CD1-CB 3.54Å; L111-A176 HydrophobicContact CG-CB 4.02Å; M122-A176 HydrophobicContact CE-CB 4.33Å; M122-A176 HydrophobicContact CG-CB 4.48Å
177T98.9Very high97.9Very high29 Ų2935.9 Ų35.918%0.17819%0.194CC..EExtended strand (participates in β ladder)trans-138.9138-173.6-57.30000110L82 V83 Q84 D120 N121L82-T177 HydrophobicContact CD1-CG2 3.39Å; V83-T177 WeakPolarHBondContact O-CA 3.33Å; Q84-T177 HydrophobicContact CB-CG2 4.11Å; D120-T177 PolarHBondContact N-O 2.81Å; N121-T177 PolarHBondContact N-O 2.85Å; N121-T177 VanDerWaalsContact N-O 3.1Å; N121-T177 PolarHBondContact O-N 3.42Å
178T98.8Very high98Very high5 Ų533.4 Ų33.43%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-141159.6168-144.80000111.1V83 V116 E118 D120 C180V83-T178 HydrophobicContact CB-CG2 4.19Å; V83-T178 PolarHBondContact N-O 2.89Å; V83-T178 PolarHBondContact O-N 3.02Å; V116-T178 HydrophobicContact CG1-CG2 3.51Å; E118-T178 PolarHBondContact O-OG1 2.9Å; D120-T178 PolarHBondContact N-OG1 2.83Å; D120-T178 WeakPolarHBondContact OD2-CA 3.36Å; D120-T178 WeakPolarHBondContact OD2-CB 3.34Å; D120-T178 PolarHBondContact OD2-OG1 3.46Å; T178-C180 WeakPolarHBondContact CG2-SG 3.18Å
179V98.6Very high98Very high59 Ų5931 Ų3136%0.35816%0.164SC..EExtended strand (participates in β ladder)trans-110.1106.8172.21800000108.4L75 L80 S81 D120L75-V179 HydrophobicContact CD1-CG1 3.7Å; L75-V179 HydrophobicContact CD1-CG2 4.33Å; L80-V179 HydrophobicContact CB-CG1 3.79Å; L80-V179 HydrophobicContact CD1-CG1 3.86Å; L80-V179 HydrophobicContact CD2-CG1 4.24Å; L80-V179 HydrophobicContact CG-CG1 4.18Å; S81-V179 CarbonylContact O-C 3.51Å; S81-V179 WeakPolarHBondContact O-CA 3.29Å; D120-V179 PolarHBondContact OD2-N 2.78Å
180C98Very high98.1Very high2 Ų231.8 Ų31.81%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-97.8147.4-173.8-71.30000113.4L80 S81 V83 T178 E184 F185L80-C180 WeakPolarHBondContact CA-O 3.08Å; S81-C180 PolarHBondContact N-O 2.91Å; S81-C180 PolarHBondContact O-N 3.46Å; V83-C180 HydrophobicContact CG2-CB 4.09Å; T178-C180 WeakPolarHBondContact CG2-SG 3.18Å; C180-E184 VanDerWaalsContact CA-OE2 3.23Å; C180-E184 WeakPolarHBondContact CA-OE2 3.45Å; C180-E184 HydrophobicContact CB-CB 4.08Å; C180-F185 HydrophobicContact CB-CD1 3.63Å; C180-F185 HydrophobicContact CB-CE1 4.15Å
181Q97.1Very high98.1Very high82 Ų8231.8 Ų31.838%0.38317%0.172SC..  trans-72156.3151.5-64.9-69.1-10.600110.8L80 N183 E184 F185L80-Q181 HydrophobicContact CD2-CG 4.22Å; L80-Q181 VanDerWaalsContact CD2-NE2 3.29Å; Q181-N183 WeakPolarHBondContact CB-OD1 3.13Å; Q181-N183 PolarHBondContact O-N 2.89Å; Q181-E184 HydrophobicContact CB-CG 4.21Å; Q181-E184 PolarHBondContact N-OE2 3.43Å; Q181-E184 PolarHBondContact O-N 3.28Å; Q181-F185 WeakPolarHBondContact O-CD1 3.46Å
182P94.8Very high98.1Very high70 Ų7033.3 Ų33.346%0.45518%0.181SC..THydrogen-bonded Turntrans-58.9-20.4-177.1-27.636.2000116.3
183N96.3Very high98.1Very high123 Ų12336.6 Ų36.666%0.65820%0.203SC*.THydrogen-bonded Turntrans-93.9-4179.762.8-10.4000113.7Q181 H256Q181-N183 WeakPolarHBondContact CB-OD1 3.13Å; Q181-N183 PolarHBondContact O-N 2.89Å; N183-H256 PolarHBondContact O-CE1 3.49Å
184E98.1Very high98.1Very high88 Ų8838.1 Ų38.141%0.41122%0.218SC..THydrogen-bonded Turntrans-89.7-15.9-178.5-69.1170.216100112.2C180 Q181 H256C180-E184 VanDerWaalsContact CA-OE2 3.23Å; C180-E184 WeakPolarHBondContact CA-OE2 3.45Å; C180-E184 HydrophobicContact CB-CB 4.08Å; Q181-E184 HydrophobicContact CB-CG 4.21Å; Q181-E184 PolarHBondContact N-OE2 3.43Å; Q181-E184 PolarHBondContact O-N 3.28Å; E184-H256 PolarHBondContact O-NE2 3.45Å
185F98.3Very high98.1Very high13 Ų1338.4 Ų38.46%0.05722%0.22CC..SBendtrans-119.2155.2173.264.1-91.9000112P62 V72 V83 M114 V116 C180 Q181 M187P62-F185 HydrophobicContact CG-CE2 3.79Å; P62-F185 HydrophobicContact CG-CZ 3.94Å; V72-F185 HydrophobicContact CG1-CE1 4.45Å; V72-F185 HydrophobicContact CG1-CE2 4.1Å; V72-F185 HydrophobicContact CG1-CZ 3.99Å; V83-F185 HydrophobicContact CG2-CD1 4.37Å; M114-F185 CarbonylContact O-C 3.36Å; M114-F185 VanDerWaalsContact O-CA 3.32Å; M114-F185 WeakPolarHBondContact O-CA 3.39Å; V116-F185 HydrophobicContact CG2-CB 3.6Å; C180-F185 HydrophobicContact CB-CD1 3.63Å; C180-F185 HydrophobicContact CB-CE1 4.15Å; Q181-F185 WeakPolarHBondContact O-CD1 3.46Å; F185-M187 HydrophobicContact CD2-CG 4.36Å; F185-M187 HydrophobicContact CD2-SD 4.1Å; F185-M187 HydrophobicContact CE2-CG 4.1Å; F185-M187 HydrophobicContact CE2-SD 3.82Å
186I98.5Very high98.1Very high27 Ų2737.5 Ų37.514%0.13821%0.214CC..  trans-115.2119.5176.7-57.7173.2000107.1M114 M255 A260M114-I186 WeakPolarHBondContact CE-O 3.12Å; M114-I186 PolarHBondContact O-N 2.92Å; I186-M255 HydrophobicContact CD1-CB 3.72Å; I186-A260 HydrophobicContact CD1-CB 4.49Å
187M98.1Very high98.1Very high33 Ų3337.5 Ų37.516%0.16321%0.214CC..  trans-65.9133.4175.3-71.1-61.8-67.100110.4P62 L64 V72 M114 F185 D189P62-M187 HydrophobicContact CB-CE 3.96Å; P62-M187 HydrophobicContact CB-CG 4.02Å; P62-M187 HydrophobicContact CB-SD 3.86Å; P62-M187 HydrophobicContact CG-CG 4.12Å; P62-M187 HydrophobicContact CG-SD 4.13Å; L64-M187 HydrophobicContact CB-CE 4.31Å; L64-M187 HydrophobicContact CD1-CE 4.47Å; V72-M187 HydrophobicContact CG2-SD 4.49Å; M114-M187 HydrophobicContact CE-SD 4.26Å; F185-M187 HydrophobicContact CD2-CG 4.36Å; F185-M187 HydrophobicContact CD2-SD 4.1Å; F185-M187 HydrophobicContact CE2-CG 4.1Å; F185-M187 HydrophobicContact CE2-SD 3.82Å; M187-D189 PolarHBondContact O-N 2.88Å
188P98.1Very high98.1Very high1 Ų136.1 Ų36.11%0.00621%0.206CC..THydrogen-bonded Turntrans-85.241.5-169.335.6-37.9000112.7L64 M68 M114 A263 L278 Q281 Q282L64-P188 HydrophobicContact CD2-CG 4.09Å; M68-P188 HydrophobicContact CE-CB 3.97Å; M68-P188 HydrophobicContact CE-CG 3.94Å; M68-P188 HydrophobicContact CG-CG 4.23Å; M114-P188 HydrophobicContact SD-CB 4.41Å; M114-P188 HydrophobicContact SD-CG 3.9Å; P188-A263 WeakPolarHBondContact CB-O 3.48Å; P188-L278 HydrophobicContact CB-CD1 3.99Å; P188-L278 WeakPolarHBondContact O-CD1 3.49Å; P188-Q281 HydrophobicContact CG-CG 4.43Å; P188-Q282 PolarHBondContact O-NE2 3.19Å
189D98.3Very high98.1Very high17 Ų1735.9 Ų35.99%0.09120%0.204CC..THydrogen-bonded Turntrans-139.311.1-165.272.50.8000115.5M187 Q281 R283M187-D189 PolarHBondContact O-N 2.88Å; D189-Q281 HydrophobicContact CB-CG 4.29Å; D189-Q281 WeakPolarHBondContact CB-O 3.13Å; D189-R283 HydrophobicContact CB-CG 4.07Å; D189-R283 PolarHBondContact O-N 3.4Å; D189-R283 IonicContact OD1-CZ 3.98Å; D189-R283 IonicContact OD1-NE 3.4Å; D189-R283 PolarHBondContact OD1-NE 3.1Å; D189-R283 IonicContact OD1-NH2 2.76Å; D189-R283 WeakPolarHBondContact OD2-CD 3.42Å; D189-R283 IonicContact OD2-CZ 3.84Å; D189-R283 IonicContact OD2-NE 3.46Å
190N98.4Very high98.1Very high67 Ų6733.2 Ų33.236%0.35819%0.188SC..  trans-108.314.2-170-153.148.3000115.1H261 R283N190-H261 WeakPolarHBondContact CA-O 3.11Å; N190-H261 HydrophobicContact CB-CB 4.39Å; N190-H261 WeakPolarHBondContact CB-O 3.39Å; N190-H261 PolarHBondContact N-O 3.3Å; N190-H261 VanDerWaalsContact N-O 3.16Å; N190-H261 WeakPolarHBondContact O-CB 3.19Å; N190-R283 PolarHBondContact OD1-NH2 3.27Å
191A98.6Very high98.2Very high0 Ų033.2 Ų33.20%019%0.188CC..  trans-62.5144.8179.700000112.1A262 Q282 S284 V286 F288 C327 V357A191-A262 HydrophobicContact CB-CB 4.43Å; A191-Q282 HydrophobicContact CB-CG 4.17Å; A191-S284 WeakPolarHBondContact O-CB 3.34Å; A191-S284 PolarHBondContact O-OG 3.36Å; A191-V286 HydrophobicContact CB-CG2 4.42Å; A191-F288 HydrophobicContact CB-CE1 4.2Å; A191-F288 HydrophobicContact CB-CZ 4.37Å; A191-C327 HydrophobicContact CB-CB 3.89Å; A191-V357 HydrophobicContact CB-CG1 4.34Å
192V98.6Very high98.2Very high53 Ų5329.6 Ų29.632%0.32117%0.172SC..  trans-127.8153.7-179-62.60000111.8G194 D195 V357V192-G194 PolarHBondContact O-N 3.24Å; V192-D195 WeakPolarHBondContact CG2-OD1 3.32Å; V192-D195 PolarHBondContact N-OD2 2.78Å; V192-D195 WeakPolarHBondContact O-CB 3.32Å; V192-D195 PolarHBondContact O-N 3.39Å; V192-V357 WeakPolarHBondContact O-CG1 3.48Å
193P98.6Very high98.4Very high72 Ų7226.4 Ų26.447%0.46815%0.151SC..THydrogen-bonded Turntrans-55.6131.3172.7-21.931.9000111.2V286 K359P193-V286 HydrophobicContact CG-CG1 3.86Å; P193-K359 HydrophobicContact CG-CB 4.3Å
194G98.3Very high98.5Very high32 Ų3220.5 Ų20.533%0.3312%0.119SC..THydrogen-bonded Turntrans104.4-21.4-178.500000114.1V192 R330 V357V192-G194 PolarHBondContact O-N 3.24Å; G194-R330 PolarHBondContact O-NE 3.07Å; G194-R330 PolarHBondContact O-NH2 3.39Å; G194-V357 PolarHBondContact N-O 3.1Å
195D98.9Very high98.5Very high6 Ų616.5 Ų16.53%0.03210%0.101CC..  trans-54.8156.9168.6-72.6-17000110.7V192 H261 L328 I356 V357V192-D195 WeakPolarHBondContact CG2-OD1 3.32Å; V192-D195 PolarHBondContact N-OD2 2.78Å; V192-D195 WeakPolarHBondContact O-CB 3.32Å; V192-D195 PolarHBondContact O-N 3.39Å; D195-H261 VanDerWaalsContact CG-ND1 3.28Å; D195-H261 IonicContact OD1-CE1 3.99Å; D195-H261 PolarHBondContact OD1-CE1 3.45Å; D195-H261 IonicContact OD1-ND1 3.08Å; D195-H261 PolarHBondContact OD1-ND1 3.47Å; D195-H261 VanDerWaalsContact OD1-ND1 3.14Å; D195-H261 IonicContact OD2-CE1 3.49Å; D195-H261 IonicContact OD2-CG 3.64Å; D195-H261 IonicContact OD2-ND1 3.39Å; D195-H261 PolarHBondContact OD2-ND1 3.21Å; D195-L328 WeakPolarHBondContact CA-O 3.33Å; D195-L328 WeakPolarHBondContact CB-O 3.44Å; D195-I356 WeakPolarHBondContact O-CA 3.32Å; D195-V357 HydrophobicContact CB-CB 3.9Å; D195-V357 HydrophobicContact CB-CG2 3.71Å; D195-V357 PolarHBondContact O-N 3.06Å
196V98.8Very high98.4Very high8 Ų816.8 Ų16.85%0.04810%0.102CC..EExtended strand (participates in β ladder)trans-114.5154173.9-54.80000110.9I198 L328 R330 A333 I353 G355 I356V196-I198 HydrophobicContact CG2-CD1 4.03Å; V196-L328 PolarHBondContact N-O 2.86Å; V196-L328 PolarHBondContact O-N 2.83Å; V196-R330 HydrophobicContact CG1-CB 4.18Å; V196-R330 HydrophobicContact CG1-CG 4.09Å; V196-A333 HydrophobicContact CG2-CB 3.3Å; V196-I353 HydrophobicContact CB-CG2 3.97Å; V196-I353 HydrophobicContact CG1-CG2 4.48Å; V196-I353 HydrophobicContact CG2-CG2 4.22Å; V196-G355 WeakPolarHBondContact CA-O 3.48Å; V196-I356 HydrophobicContact CG1-CG2 4.3Å
197L98.9Very high98.4Very high0 Ų015.5 Ų15.50%010%0.096CC..EExtended strand (participates in β ladder)trans-95.7119.4178.4-59.1173.9000109.3F288 I290 L325 I326 I353 I354 G355 V357L197-F288 HydrophobicContact CD1-CB 3.86Å; L197-F288 HydrophobicContact CD1-CG 4.36Å; L197-F288 HydrophobicContact CD2-CD1 4.34Å; L197-F288 HydrophobicContact CD2-CD2 4.28Å; L197-F288 HydrophobicContact CD2-CG 4.14Å; L197-I290 HydrophobicContact CD1-CG1 3.98Å; L197-L325 HydrophobicContact CB-CD1 4.05Å; L197-I326 CarbonylContact C-O 3.4Å; L197-I326 WeakPolarHBondContact CA-O 3.3Å; L197-I353 CarbonylContact O-C 3.47Å; L197-I353 WeakPolarHBondContact O-CA 3.37Å; L197-I354 HydrophobicContact CB-CG1 3.93Å; L197-I354 WeakPolarHBondContact O-CG1 3.32Å; L197-I354 PolarHBondContact O-N 2.95Å; L197-G355 PolarHBondContact N-O 2.87Å; L197-V357 HydrophobicContact CD2-CG2 3.84Å; L197-V357 HydrophobicContact CG-CG2 4.41Å
198I98.9Very high98.4Very high0 Ų013.9 Ų13.90%09%0.088CC..EExtended strand (participates in β ladder)trans-102.9135.7174.2-53.8-55.6000109.8V196 T200 L325 I326 L328 A333 F336 A351 W352 I353V196-I198 HydrophobicContact CG2-CD1 4.03Å; I198-T200 HydrophobicContact CG2-CG2 4.43Å; I198-L325 CarbonylContact O-C 3.03Å; I198-L325 VanDerWaalsContact O-CA 3.25Å; I198-L325 WeakPolarHBondContact O-CA 3.5Å; I198-I326 HydrophobicContact CB-CB 4.28Å; I198-I326 PolarHBondContact N-O 3.01Å; I198-I326 PolarHBondContact O-N 3.49Å; I198-L328 HydrophobicContact CB-CD1 4.48Å; I198-L328 HydrophobicContact CG1-CB 4.38Å; I198-L328 HydrophobicContact CG1-CD1 3.7Å; I198-A333 HydrophobicContact CD1-CB 4.07Å; I198-F336 HydrophobicContact CG2-CD1 4.04Å; I198-F336 HydrophobicContact CG2-CE1 3.86Å; I198-A351 HydrophobicContact CG2-CB 3.84Å; I198-W352 CarbonylContact C-O 3.54Å; I198-W352 VanDerWaalsContact CA-O 3.27Å; I198-W352 WeakPolarHBondContact CA-O 3.22Å; I198-I353 HydrophobicContact CD1-CB 4.04Å; I198-I353 HydrophobicContact CD1-CD1 4.46Å; I198-I353 HydrophobicContact CD1-CG1 3.27Å
199L98.9Very high98.3Very high0 Ų014 Ų140%09%0.088CC..EExtended strand (participates in β ladder)trans-115.6132.9168.7-17563000110.2K201 L203 I266 I271 P294 L324 A351 W352 I354L199-K201 WeakPolarHBondContact CD2-O 3.47Å; L199-K201 WeakPolarHBondContact CG-O 3.29Å; L199-L203 HydrophobicContact CD2-CD1 4.26Å; L199-L203 HydrophobicContact CD2-CD2 3.91Å; L199-L203 HydrophobicContact CD2-CG 3.9Å; L199-I266 HydrophobicContact CD1-CG1 3.69Å; L199-I271 HydrophobicContact CD1-CD1 4.33Å; L199-I271 HydrophobicContact CD2-CD1 4.4Å; L199-P294 HydrophobicContact CD2-CG 3.76Å; L199-P294 HydrophobicContact CG-CG 4.48Å; L199-L324 WeakPolarHBondContact CA-O 3.28Å; L199-A351 CarbonylContact O-C 3.58Å; L199-A351 WeakPolarHBondContact O-CA 3.29Å; L199-A351 WeakPolarHBondContact O-CB 3.11Å; L199-W352 PolarHBondContact N-O 3.44Å; L199-W352 PolarHBondContact O-N 2.99Å; L199-I354 HydrophobicContact CB-CD1 3.98Å; L199-I354 HydrophobicContact CB-CG1 4.31Å; L199-I354 HydrophobicContact CB-CG2 3.87Å; L199-I354 HydrophobicContact CD2-CD1 4.38Å
200T98.7Very high98.1Very high3 Ų313.4 Ų13.42%0.0189%0.086CC..  trans-103.1-5.2-171.2690000115.7I198 R246 A251 G323 L324 I326 F336 I340 A351I198-T200 HydrophobicContact CG2-CG2 4.43Å; T200-R246 PolarHBondContact O-NH2 3.36Å; T200-A251 HydrophobicContact CG2-CB 4.12Å; T200-G323 WeakPolarHBondContact OG1-CA 3.22Å; T200-L324 HydrophobicContact CG2-CB 4.3Å; T200-L324 PolarHBondContact N-O 3.27Å; T200-L324 VanDerWaalsContact N-O 3.12Å; T200-L324 PolarHBondContact OG1-N 3Å; T200-I326 HydrophobicContact CG2-CD1 3.85Å; T200-F336 HydrophobicContact CG2-CE1 4.14Å; T200-F336 HydrophobicContact CG2-CZ 4.27Å; T200-I340 HydrophobicContact CG2-CD1 4.11Å; T200-A351 HydrophobicContact CG2-CB 4.3Å
201K98.7Very high98Very high2 Ų210.2 Ų10.21%0.0097%0.069CC..SBendtrans-136.2150170.8-62.4-168.6-164.8173.50110.2L199 N243 R246 N248 S321 G322 G323L199-K201 WeakPolarHBondContact CD2-O 3.47Å; L199-K201 WeakPolarHBondContact CG-O 3.29Å; K201-N243 HydrophobicContact CD-CB 4.45Å; K201-N243 VanDerWaalsContact CD-O 3.29Å; K201-N243 WeakPolarHBondContact CD-O 3.48Å; K201-N243 VanDerWaalsContact CE-O 3.25Å; K201-N243 WeakPolarHBondContact CE-O 3.19Å; K201-N243 PolarHBondContact NZ-O 2.83Å; K201-R246 WeakPolarHBondContact CE-O 3.16Å; K201-R246 PolarHBondContact NZ-O 3.08Å; K201-N248 VanDerWaalsContact CE-OD1 3.28Å; K201-N248 WeakPolarHBondContact CE-OD1 3.29Å; K201-S321 PolarHBondContact NZ-O 3.02Å; K201-G322 VanDerWaalsContact CD-C 3.47Å; K201-G322 WeakPolarHBondContact CD-O 3.49Å; K201-G322 VanDerWaalsContact CE-O 3.29Å; K201-G322 WeakPolarHBondContact CE-O 3.48Å; K201-G322 PolarHBondContact NZ-O 3.1Å; K201-G323 VanDerWaalsContact CG-CA 3.46Å
202P98.6Very high97.9Very high6 Ų611.4 Ų11.44%0.0398%0.075CC..  trans-67.8154.4173.131-35.2000111.1L296 W352 V375P202-L296 HydrophobicContact CB-CD2 4.18Å; P202-L296 HydrophobicContact CB-CG 4.19Å; P202-L296 HydrophobicContact CG-CD2 3.67Å; P202-L296 HydrophobicContact CG-CG 4.06Å; P202-W352 HydrophobicContact CB-CH2 4.34Å; P202-V375 HydrophobicContact CB-CB 4.14Å; P202-V375 HydrophobicContact CB-CG1 4.26Å; P202-V375 HydrophobicContact CB-CG2 4.07Å; P202-V375 HydrophobicContact CG-CG1 4.44Å
203L98.8Very high97.7Very high3 Ų39.9 Ų9.92%0.0166%0.064CC..BIsolated β-bridgetrans-87.9168.1175-57.6172.1000111.5L199 I266 I271 L293 P294 V295 L296 L312 E319L199-L203 HydrophobicContact CD2-CD1 4.26Å; L199-L203 HydrophobicContact CD2-CD2 3.91Å; L199-L203 HydrophobicContact CD2-CG 3.9Å; L203-I266 HydrophobicContact CD2-CG2 4.08Å; L203-I271 HydrophobicContact CD1-CB 4.04Å; L203-I271 HydrophobicContact CD1-CG1 4.34Å; L203-I271 HydrophobicContact CD1-CG2 3.8Å; L203-I271 HydrophobicContact CD2-CB 4Å; L203-I271 HydrophobicContact CD2-CG2 4.48Å; L203-L293 HydrophobicContact CD1-CB 4.22Å; L203-L293 HydrophobicContact CD1-CD2 3.78Å; L203-L293 HydrophobicContact CD1-CG 4.49Å; L203-P294 WeakPolarHBondContact CB-O 3.46Å; L203-P294 PolarHBondContact N-O 3.15Å; L203-V295 HydrophobicContact CB-CG2 4.36Å; L203-V295 WeakPolarHBondContact O-CA 3.19Å; L203-L296 PolarHBondContact O-N 3.14Å; L203-L312 HydrophobicContact CB-CD1 4.15Å; L203-E319 HydrophobicContact CD2-CG 4.01Å
204G98Very high97.5Very high0 Ų07.2 Ų7.20%04%0.044CC..  trans98.618.5172.600000114.4Q206 V207 A208 E319G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 3.16Å; G204-V207 PolarHBondContact O-N 3.37Å; G204-V207 VanDerWaalsContact O-N 3.17Å; G204-A208 PolarHBondContact O-N 3.4Å; G204-A208 VanDerWaalsContact O-N 3.07Å; G204-E319 VanDerWaalsContact N-CD 3.32Å; G204-E319 PolarHBondContact N-OE1 2.88Å; G204-E319 PolarHBondContact N-OE2 2.64Å
205T97.7Very high97.3Very high4 Ų47.8 Ų7.83%0.0254%0.04CC..Hα-helixtrans-62.9-39.4-178.966.60000111.4V207 A208 V209 A240 M244 L296 E319 T320T205-V207 VanDerWaalsContact C-N 3.29Å; T205-V207 PolarHBondContact O-N 3.2Å; T205-A208 PolarHBondContact O-N 3.47Å; T205-V209 WeakPolarHBondContact O-CG2 3.47Å; T205-V209 PolarHBondContact O-N 2.91Å; T205-A240 HydrophobicContact CG2-CB 4.36Å; T205-M244 HydrophobicContact CG2-CG 3.87Å; T205-M244 HydrophobicContact CG2-SD 4.15Å; T205-L296 HydrophobicContact CG2-CD1 4.43Å; T205-E319 PolarHBondContact N-OE2 3.33Å; T205-E319 PolarHBondContact OG1-OE2 2.86Å; T205-E319 VanDerWaalsContact OG1-OE2 3.08Å; T205-T320 PolarHBondContact OG1-N 3.44Å
206Q97Very high97.1Very high18 Ų1811.5 Ų11.58%0.0846%0.06CC..Hα-helixtrans-62.4-34.4176.6-179.260.867.500113G28 G204 A210 F310 P318G28-Q206 WeakPolarHBondContact O-CG 3.41Å; G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 3.16Å; Q206-A210 WeakPolarHBondContact O-CB 3.47Å; Q206-A210 PolarHBondContact O-N 3.47Å; Q206-A210 VanDerWaalsContact O-N 3.16Å; Q206-F310 HydrophobicContact CG-CD1 4.44Å; Q206-P318 HydrophobicContact CB-CB 4.43Å; Q206-P318 WeakPolarHBondContact CB-O 3.21Å; Q206-P318 HydrophobicContact CG-CB 4.34Å; Q206-P318 HydrophobicContact CG-CG 4.34Å
207V97.1Very high96.8Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-68.7-49.8174.9-175.20000109.2G204 T205 V209 A210 V211 M299 V302 F310 L312G204-V207 PolarHBondContact O-N 3.37Å; G204-V207 VanDerWaalsContact O-N 3.17Å; T205-V207 VanDerWaalsContact C-N 3.29Å; T205-V207 PolarHBondContact O-N 3.2Å; V207-V209 PolarHBondContact O-N 3.07Å; V207-A210 PolarHBondContact O-N 3.37Å; V207-V211 HydrophobicContact CG1-CG1 4.15Å; V207-V211 VanDerWaalsContact O-CG1 3.27Å; V207-V211 WeakPolarHBondContact O-CG1 3.5Å; V207-V211 VanDerWaalsContact O-CG2 3.3Å; V207-V211 WeakPolarHBondContact O-CG2 3.33Å; V207-V211 PolarHBondContact O-N 3.19Å; V207-M299 HydrophobicContact CB-CB 4.19Å; V207-M299 HydrophobicContact CB-CG 4.43Å; V207-M299 HydrophobicContact CB-SD 4.01Å; V207-M299 HydrophobicContact CG1-CB 4.17Å; V207-M299 HydrophobicContact CG1-CG 4.46Å; V207-M299 HydrophobicContact CG1-SD 3.67Å; V207-V302 HydrophobicContact CG1-CB 4.04Å; V207-V302 HydrophobicContact CG1-CG1 3.68Å; V207-F310 HydrophobicContact CG1-CE2 4.33Å; V207-F310 HydrophobicContact CG1-CZ 4.49Å; V207-F310 HydrophobicContact CG2-CB 4.02Å; V207-F310 HydrophobicContact CG2-CD1 3.87Å; V207-F310 HydrophobicContact CG2-CD2 4.19Å; V207-F310 HydrophobicContact CG2-CE1 4.34Å; V207-F310 HydrophobicContact CG2-CG 3.78Å; V207-L312 HydrophobicContact CG2-CD2 3.99Å
208A97.6Very high96.6Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-57.1-50.6-178.800000112.5G204 T205 A210 V211 H212 A236 A240 L296 M299G204-A208 PolarHBondContact O-N 3.4Å; G204-A208 VanDerWaalsContact O-N 3.07Å; T205-A208 PolarHBondContact O-N 3.47Å; A208-A210 PolarHBondContact O-N 3.4Å; A208-V211 WeakPolarHBondContact O-CG2 3.49Å; A208-V211 PolarHBondContact O-N 3.34Å; A208-H212 WeakPolarHBondContact O-CB 3.46Å; A208-H212 PolarHBondContact O-N 3.17Å; A208-H212 VanDerWaalsContact O-N 3.09Å; A208-A236 HydrophobicContact CB-CB 4.24Å; A208-A240 HydrophobicContact CB-CB 3.78Å; A208-L296 HydrophobicContact CB-CD1 4.3Å; A208-M299 VanDerWaalsContact CA-SD 3.53Å; A208-M299 HydrophobicContact CB-CG 4.37Å; A208-M299 HydrophobicContact CB-SD 3.86Å; A208-M299 PolarHBondContact N-SD 2.85Å
209V96.3Very high96.4Very high2 Ų224.4 Ų24.41%0.01213%0.133CC..Hα-helixtrans-67.8-35.8179.4-59.70000112.6I92 V93 T205 V207 Q213 Y237 M244I92-V209 HydrophobicContact CB-CG2 4.32Å; I92-V209 WeakPolarHBondContact O-CB 3.39Å; V93-V209 HydrophobicContact CG1-CG1 4.14Å; T205-V209 WeakPolarHBondContact O-CG2 3.47Å; T205-V209 PolarHBondContact O-N 2.91Å; V207-V209 PolarHBondContact O-N 3.07Å; V209-Q213 WeakPolarHBondContact O-CG 3.33Å; V209-Q213 PolarHBondContact O-N 3.26Å; V209-Y237 HydrophobicContact CG1-CD2 4.37Å; V209-Y237 HydrophobicContact CG1-CE2 4.48Å; V209-M244 HydrophobicContact CG1-CE 3.8Å
210A95.6Very high96.1Very high6 Ų627.9 Ų27.95%0.0515%0.148CC..Hα-helixtrans-67.4-44.7178.200000111.2Q206 V207 A208 Q213 W214 F310Q206-A210 WeakPolarHBondContact O-CB 3.47Å; Q206-A210 PolarHBondContact O-N 3.47Å; Q206-A210 VanDerWaalsContact O-N 3.16Å; V207-A210 PolarHBondContact O-N 3.37Å; A208-A210 PolarHBondContact O-N 3.4Å; A210-Q213 WeakPolarHBondContact O-CB 3.29Å; A210-Q213 PolarHBondContact O-N 3.3Å; A210-W214 VanDerWaalsContact O-CG 3.31Å; A210-W214 PolarHBondContact O-N 3.47Å; A210-W214 VanDerWaalsContact O-N 3.1Å; A210-W214 PolarHBondContact O-NE1 2.94Å; A210-F310 HydrophobicContact CB-CE1 3.78Å; A210-F310 HydrophobicContact CB-CZ 3.87Å
211V95.8Very high96Very high0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-75-27.6-175.6-56.40000112.5V207 A208 W214 L215 I224 V233 M299 V302V207-V211 HydrophobicContact CG1-CG1 4.15Å; V207-V211 VanDerWaalsContact O-CG1 3.27Å; V207-V211 WeakPolarHBondContact O-CG1 3.5Å; V207-V211 VanDerWaalsContact O-CG2 3.3Å; V207-V211 WeakPolarHBondContact O-CG2 3.33Å; V207-V211 PolarHBondContact O-N 3.19Å; A208-V211 WeakPolarHBondContact O-CG2 3.49Å; A208-V211 PolarHBondContact O-N 3.34Å; V211-W214 HydrophobicContact CG1-CD2 4.49Å; V211-W214 HydrophobicContact CG1-CE3 4.15Å; V211-W214 HydrophobicContact CG1-CZ3 4.28Å; V211-W214 WeakPolarHBondContact O-CB 3.5Å; V211-W214 PolarHBondContact O-N 3.17Å; V211-W214 VanDerWaalsContact O-N 3.14Å; V211-L215 PolarHBondContact O-N 3.02Å; V211-I224 HydrophobicContact CB-CD1 3.75Å; V211-I224 HydrophobicContact CG1-CD1 3.94Å; V211-V233 HydrophobicContact CG2-CG1 4.03Å; V211-V233 HydrophobicContact CG2-CG2 4.09Å; V211-M299 HydrophobicContact CG2-CE 4.46Å; V211-M299 HydrophobicContact CG2-SD 4.3Å; V211-V302 HydrophobicContact CG1-CG1 3.5Å; V211-V302 VanDerWaalsContact CG1-CG1 3.5Å
212H96.3Very high95.8Very high25 Ų2533 Ų3312%0.11617%0.172CC..Hα-helixtrans-59.1-48.2166.1-179.9-90.5000111.3A208 W214 L215 V233 E234 Y237A208-H212 WeakPolarHBondContact O-CB 3.46Å; A208-H212 PolarHBondContact O-N 3.17Å; A208-H212 VanDerWaalsContact O-N 3.09Å; H212-W214 PolarHBondContact O-N 3.19Å; H212-L215 VanDerWaalsContact O-CB 3.27Å; H212-L215 WeakPolarHBondContact O-CB 3.14Å; H212-L215 WeakPolarHBondContact O-CG 3.5Å; H212-L215 PolarHBondContact O-N 3.22Å; H212-L215 VanDerWaalsContact O-N 3.12Å; H212-V233 HydrophobicContact CB-CG1 4.1Å; H212-E234 IonicContact CD2-OE2 3.64Å; H212-E234 PolarHBondContact CD2-OE2 2.99Å; H212-E234 IonicContact NE2-OE2 3.76Å; H212-E234 PolarHBondContact NE2-OE2 3.4Å; H212-Y237 HydrophobicContact CB-CD2 3.6Å; H212-Y237 HydrophobicContact CB-CE2 4.24Å; H212-Y237 HydrophobicContact CB-CG 3.87Å; H212-Y237 AromaticContact CD2-CD1 3.56Å; H212-Y237 AromaticContact CD2-CD2 3.98Å; H212-Y237 AromaticContact CD2-CG 3.51Å; H212-Y237 AromaticContact CE1-CE1 3.87Å; H212-Y237 AromaticContact CE1-CZ 3.86Å; H212-Y237 AromaticContact CG-CD1 3.98Å; H212-Y237 AromaticContact CG-CD2 3.54Å; H212-Y237 AromaticContact CG-CE2 3.87Å; H212-Y237 AromaticContact CG-CG 3.58Å; H212-Y237 AromaticContact ND1-CD2 3.92Å; H212-Y237 AromaticContact ND1-CE2 3.73Å; H212-Y237 AromaticContact ND1-CZ 3.87Å; H212-Y237 AromaticContact NE2-CD1 3.72Å; H212-Y237 AromaticContact NE2-CE1 3.78Å
213Q94.2Very high95.5Very high21 Ų2139.2 Ų39.210%0.09820%0.199CC..Hα-helixtrans-62.6-24.9174.6-66.4175.63200113.2T21 V209 A210 L215T21-Q213 HydrophobicContact CG2-CG 4.35Å; V209-Q213 WeakPolarHBondContact O-CG 3.33Å; V209-Q213 PolarHBondContact O-N 3.26Å; A210-Q213 WeakPolarHBondContact O-CB 3.29Å; A210-Q213 PolarHBondContact O-N 3.3Å; Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 PolarHBondContact O-N 3.41Å
214W95.2Very high95.4Very high15 Ų1539 Ų396%0.05720%0.198CC..Hα-helixtrans-74.9-18.3179-65.75.9000112.8A210 V211 H212 D216 I217 K220 W221 I224 M309 F310A210-W214 VanDerWaalsContact O-CG 3.31Å; A210-W214 PolarHBondContact O-N 3.47Å; A210-W214 VanDerWaalsContact O-N 3.1Å; A210-W214 PolarHBondContact O-NE1 2.94Å; V211-W214 HydrophobicContact CG1-CD2 4.49Å; V211-W214 HydrophobicContact CG1-CE3 4.15Å; V211-W214 HydrophobicContact CG1-CZ3 4.28Å; V211-W214 WeakPolarHBondContact O-CB 3.5Å; V211-W214 PolarHBondContact O-N 3.17Å; V211-W214 VanDerWaalsContact O-N 3.14Å; H212-W214 PolarHBondContact O-N 3.19Å; W214-D216 PolarHBondContact O-N 2.96Å; W214-I217 CarbonylContact O-C 3.6Å; W214-I217 PolarHBondContact O-N 2.85Å; W214-K220 HydrophobicContact CB-CB 3.73Å; W214-K220 VanDerWaalsContact CD1-CD 3.43Å; W214-K220 HydrophobicContact CD2-CB 3.71Å; W214-K220 HydrophobicContact CD2-CD 4.03Å; W214-K220 HydrophobicContact CD2-CG 4.43Å; W214-K220 HydrophobicContact CE3-CB 4.09Å; W214-K220 HydrophobicContact CG-CB 3.52Å; W214-K220 HydrophobicContact CG-CD 3.8Å; W214-K220 HydrophobicContact CG-CG 4.32Å; W214-W221 WeakPolarHBondContact O-CB 3.46Å; W214-I224 HydrophobicContact CE3-CD1 4.03Å; W214-I224 HydrophobicContact CE3-CG1 4.23Å; W214-I224 HydrophobicContact CE3-CG2 4.28Å; W214-I224 HydrophobicContact CZ3-CG2 3.86Å; W214-M309 HydrophobicContact CH2-CE 4.28Å; W214-M309 HydrophobicContact CH2-SD 3.47Å; W214-M309 WeakPolarHBondContact CH2-SD 3.29Å; W214-M309 HydrophobicContact CZ2-SD 3.53Å; W214-M309 VanDerWaalsContact CZ2-SD 3.53Å; W214-F310 AromaticContact CH2-CE2 3.84Å; W214-F310 HydrophobicContact CH2-CE2 3.84Å; W214-F310 AromaticContact CH2-CZ 3.85Å; W214-F310 HydrophobicContact CH2-CZ 3.85Å; W214-F310 HydrophobicContact CZ2-CE2 4.3Å; W214-F310 AromaticContact CZ2-CZ 3.84Å; W214-F310 HydrophobicContact CZ2-CZ 3.84Å
215L94.5Very high95.2Very high44 Ų4444 Ų4423%0.2322%0.219CC..Hα-helixtrans-56.6-36.8173.2-64.2174.6000111.7V211 H212 Q213 I217 W221 Q230 V233V211-L215 PolarHBondContact O-N 3.02Å; H212-L215 VanDerWaalsContact O-CB 3.27Å; H212-L215 WeakPolarHBondContact O-CB 3.14Å; H212-L215 WeakPolarHBondContact O-CG 3.5Å; H212-L215 PolarHBondContact O-N 3.22Å; H212-L215 VanDerWaalsContact O-N 3.12Å; Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 PolarHBondContact O-N 3.41Å; L215-I217 VanDerWaalsContact C-N 3.27Å; L215-I217 PolarHBondContact O-N 2.89Å; L215-W221 HydrophobicContact CD2-CD2 3.95Å; L215-W221 HydrophobicContact CD2-CE3 3.54Å; L215-W221 HydrophobicContact CD2-CH2 3.89Å; L215-W221 HydrophobicContact CD2-CZ2 4.25Å; L215-W221 HydrophobicContact CD2-CZ3 3.51Å; L215-Q230 HydrophobicContact CD2-CB 4.31Å; L215-Q230 HydrophobicContact CD2-CG 3.83Å; L215-V233 HydrophobicContact CD1-CB 4.48Å; L215-V233 HydrophobicContact CD1-CG1 3.74Å; L215-V233 HydrophobicContact CD2-CG1 4.34Å; L215-V233 HydrophobicContact CG-CG1 4.06Å
216D92.8Very high95.1Very high85 Ų8551.5 Ų51.546%0.45526%0.259SS..THydrogen-bonded Turntrans-82.3-0.2177.8-68.8-34.6000113.2R19 W214R19-D216 IonicContact CZ-OD2 2.9Å; R19-D216 IonicContact NE-OD2 2.79Å; R19-D216 PolarHBondContact NE-OD2 3.39Å; R19-D216 IonicContact NH2-OD1 2.75Å; R19-D216 PolarHBondContact NH2-OD1 3.41Å; R19-D216 IonicContact NH2-OD2 3.59Å; R19-D216 PolarHBondContact NH2-OD2 3.35Å; W214-D216 PolarHBondContact O-N 2.96Å
217I93.9Very high95Very high62 Ų6253.3 Ų53.332%0.31827%0.271SS..  trans-126.394-175.8-53171.4000109.4W214 L215 D219 K220 W221W214-I217 CarbonylContact O-C 3.6Å; W214-I217 PolarHBondContact O-N 2.85Å; L215-I217 VanDerWaalsContact C-N 3.27Å; L215-I217 PolarHBondContact O-N 2.89Å; I217-D219 VanDerWaalsContact C-N 3.3Å; I217-D219 PolarHBondContact O-N 3.4Å; I217-D219 VanDerWaalsContact O-N 3.1Å; I217-K220 HydrophobicContact CB-CB 4.2Å; I217-K220 HydrophobicContact CB-CD 4.44Å; I217-K220 HydrophobicContact CB-CG 4.32Å; I217-K220 HydrophobicContact CD1-CD 4.06Å; I217-K220 HydrophobicContact CG2-CB 4.1Å; I217-K220 HydrophobicContact CG2-CD 4.14Å; I217-K220 HydrophobicContact CG2-CG 3.8Å; I217-K220 PolarHBondContact O-N 3.41Å; I217-W221 PolarHBondContact O-N 2.89Å
218P93.8Very high95Very high88 Ų8853.5 Ų53.557%0.57127%0.272SS*.Hα-helixtrans-50-44.1-171.3-31.235.7000114.7K220 W221 N222P218-K220 VanDerWaalsContact C-N 3.29Å; P218-K220 PolarHBondContact O-N 2.79Å; P218-W221 PolarHBondContact O-N 3.19Å; P218-N222 VanDerWaalsContact O-CB 3.31Å; P218-N222 WeakPolarHBondContact O-CB 3.13Å; P218-N222 PolarHBondContact O-N 2.86Å; P218-N222 PolarHBondContact O-ND2 3.27Å
219D94.4Very high95Very high129 Ų12956.9 Ų56.969%0.6929%0.293SS*.Hα-helixtrans-65-31.7-179.7-67.7-21.3000113.3I217I217-D219 VanDerWaalsContact C-N 3.3Å; I217-D219 PolarHBondContact O-N 3.4Å; I217-D219 VanDerWaalsContact O-N 3.1Å
220K93.8Very high95.1Very high73 Ų7362.4 Ų62.432%0.31732%0.318SS..Hα-helixtrans-82.2-43.1177-65.6-168.5-177.2-1780111.2W214 I217 P218 N222 K223W214-K220 HydrophobicContact CB-CB 3.73Å; W214-K220 VanDerWaalsContact CD1-CD 3.43Å; W214-K220 HydrophobicContact CD2-CB 3.71Å; W214-K220 HydrophobicContact CD2-CD 4.03Å; W214-K220 HydrophobicContact CD2-CG 4.43Å; W214-K220 HydrophobicContact CE3-CB 4.09Å; W214-K220 HydrophobicContact CG-CB 3.52Å; W214-K220 HydrophobicContact CG-CD 3.8Å; W214-K220 HydrophobicContact CG-CG 4.32Å; I217-K220 HydrophobicContact CB-CB 4.2Å; I217-K220 HydrophobicContact CB-CD 4.44Å; I217-K220 HydrophobicContact CB-CG 4.32Å; I217-K220 HydrophobicContact CD1-CD 4.06Å; I217-K220 HydrophobicContact CG2-CB 4.1Å; I217-K220 HydrophobicContact CG2-CD 4.14Å; I217-K220 HydrophobicContact CG2-CG 3.8Å; I217-K220 PolarHBondContact O-N 3.41Å; P218-K220 VanDerWaalsContact C-N 3.29Å; P218-K220 PolarHBondContact O-N 2.79Å; K220-N222 VanDerWaalsContact C-N 3.26Å; K220-N222 PolarHBondContact O-N 3.07Å; K220-K223 WeakPolarHBondContact O-CB 3.34Å; K220-K223 PolarHBondContact O-N 3.18Å; K220-K223 VanDerWaalsContact O-N 3.09Å
221W95.9Very high95.1Very high36 Ų3668.9 Ų68.914%0.13635%0.347CS..Hα-helixtrans-56.6-42.1174.2179.4-123.8000111.9W214 L215 I217 P218 K223 I224 K225 V228 Q230 V233W214-W221 WeakPolarHBondContact O-CB 3.46Å; L215-W221 HydrophobicContact CD2-CD2 3.95Å; L215-W221 HydrophobicContact CD2-CE3 3.54Å; L215-W221 HydrophobicContact CD2-CH2 3.89Å; L215-W221 HydrophobicContact CD2-CZ2 4.25Å; L215-W221 HydrophobicContact CD2-CZ3 3.51Å; I217-W221 PolarHBondContact O-N 2.89Å; P218-W221 PolarHBondContact O-N 3.19Å; W221-K223 PolarHBondContact O-N 2.9Å; W221-I224 HydrophobicContact CE3-CD1 3.7Å; W221-I224 HydrophobicContact CE3-CG1 3.76Å; W221-I224 HydrophobicContact CZ3-CD1 3.62Å; W221-I224 HydrophobicContact CZ3-CG1 3.94Å; W221-I224 WeakPolarHBondContact O-CG1 3.5Å; W221-I224 PolarHBondContact O-N 2.88Å; W221-K225 HydrophobicContact CD2-CB 4.3Å; W221-K225 HydrophobicContact CZ2-CB 4.07Å; W221-K225 WeakPolarHBondContact O-CB 3.36Å; W221-K225 PolarHBondContact O-N 2.94Å; W221-V228 HydrophobicContact CH2-CG1 4.28Å; W221-V228 HydrophobicContact CZ3-CG1 4.19Å; W221-Q230 HydrophobicContact CH2-CG 3.91Å; W221-Q230 HydrophobicContact CZ2-CG 3.49Å; W221-Q230 VanDerWaalsContact CZ2-CG 3.49Å; W221-V233 HydrophobicContact CH2-CG2 4.19Å; W221-V233 HydrophobicContact CZ3-CG2 3.83Å
222N94.8Very high95.1Very high75 Ų7570.9 Ų70.940%0.40136%0.358SS..Hα-helixtrans-57-23.1178.3-80.8-35.4000114.3P218 K220 K225P218-N222 VanDerWaalsContact O-CB 3.31Å; P218-N222 WeakPolarHBondContact O-CB 3.13Å; P218-N222 PolarHBondContact O-N 2.86Å; P218-N222 PolarHBondContact O-ND2 3.27Å; K220-N222 VanDerWaalsContact C-N 3.26Å; K220-N222 PolarHBondContact O-N 3.07Å; N222-K225 WeakPolarHBondContact OD1-CD 3.26Å; N222-K225 WeakPolarHBondContact OD1-CE 3.45Å; N222-K225 PolarHBondContact OD1-NZ 3.35Å
223K92.8Very high95.2Very high137 Ų13769.7 Ų69.760%0.59635%0.353SS*.Hα-helixtrans-74.7-29177.5-63.2-178.8179.7-176.10113.4K220 W221K220-K223 WeakPolarHBondContact O-CB 3.34Å; K220-K223 PolarHBondContact O-N 3.18Å; K220-K223 VanDerWaalsContact O-N 3.09Å; W221-K223 PolarHBondContact O-N 2.9Å
224I95.2Very high95.3Very high0 Ų072 Ų720%036%0.364CS..Hα-helixtrans-118.5-8.8-171.959.5158000113.6V211 W214 W221 L226 V227 V228 V302V211-I224 HydrophobicContact CB-CD1 3.75Å; V211-I224 HydrophobicContact CG1-CD1 3.94Å; W214-I224 HydrophobicContact CE3-CD1 4.03Å; W214-I224 HydrophobicContact CE3-CG1 4.23Å; W214-I224 HydrophobicContact CE3-CG2 4.28Å; W214-I224 HydrophobicContact CZ3-CG2 3.86Å; W221-I224 HydrophobicContact CE3-CD1 3.7Å; W221-I224 HydrophobicContact CE3-CG1 3.76Å; W221-I224 HydrophobicContact CZ3-CD1 3.62Å; W221-I224 HydrophobicContact CZ3-CG1 3.94Å; W221-I224 WeakPolarHBondContact O-CG1 3.5Å; W221-I224 PolarHBondContact O-N 2.88Å; I224-L226 PolarHBondContact O-N 2.98Å; I224-V227 WeakPolarHBondContact O-CA 3.43Å; I224-V227 WeakPolarHBondContact O-CB 3.39Å; I224-V227 PolarHBondContact O-N 3.13Å; I224-V228 HydrophobicContact CB-CG1 4.43Å; I224-V228 HydrophobicContact CD1-CG1 4.03Å; I224-V228 PolarHBondContact O-N 3.2Å; I224-V228 VanDerWaalsContact O-N 3.17Å; I224-V302 HydrophobicContact CG2-CG1 4.16Å
225K94.4Very high95.3Very high103 Ų10374.7 Ų74.745%0.44838%0.378SS..THydrogen-bonded Turntrans-57.6-19.7-178.569.9175.4177-172.70115.3W221 N222W221-K225 HydrophobicContact CD2-CB 4.3Å; W221-K225 HydrophobicContact CZ2-CB 4.07Å; W221-K225 WeakPolarHBondContact O-CB 3.36Å; W221-K225 PolarHBondContact O-N 2.94Å; N222-K225 WeakPolarHBondContact OD1-CD 3.26Å; N222-K225 WeakPolarHBondContact OD1-CE 3.45Å; N222-K225 PolarHBondContact OD1-NZ 3.35Å
226L95.2Very high95.4Very high163 Ų16372.9 Ų72.985%0.85337%0.37SS*.THydrogen-bonded Turntrans-91-6.2176.1-60.9-178.9000112.8I224I224-L226 PolarHBondContact O-N 2.98Å
227V96.5Very high95.6Very high56 Ų5669.3 Ų69.334%0.33935%0.35SS..THydrogen-bonded Turntrans-106.1-35.9-175.8-176.70000111I224 A301 V302 A305I224-V227 WeakPolarHBondContact O-CA 3.43Å; I224-V227 WeakPolarHBondContact O-CB 3.39Å; I224-V227 PolarHBondContact O-N 3.13Å; V227-A301 HydrophobicContact CG1-CB 3.98Å; V227-V302 HydrophobicContact CG1-CG2 4.25Å; V227-A305 HydrophobicContact CG1-CB 4.35Å; V227-A305 HydrophobicContact CG2-CB 3.64Å
228V97Very high95.7Very high4 Ų469.1 Ų69.12%0.02435%0.348CS..  trans-144.7146.9-171.572.10000110.5W221 I224 D232 V233 K298 V302W221-V228 HydrophobicContact CH2-CG1 4.28Å; W221-V228 HydrophobicContact CZ3-CG1 4.19Å; I224-V228 HydrophobicContact CB-CG1 4.43Å; I224-V228 HydrophobicContact CD1-CG1 4.03Å; I224-V228 PolarHBondContact O-N 3.2Å; I224-V228 VanDerWaalsContact O-N 3.17Å; V228-D232 HydrophobicContact CG2-CB 3.22Å; V228-V233 HydrophobicContact CG1-CG2 3.68Å; V228-V233 HydrophobicContact CG2-CG2 4.02Å; V228-K298 HydrophobicContact CG2-CB 4.14Å; V228-K298 HydrophobicContact CG2-CG 4.36Å; V228-V302 HydrophobicContact CB-CG2 3.98Å; V228-V302 HydrophobicContact CG1-CG2 3.93Å; V228-V302 HydrophobicContact CG2-CG2 4.4Å
229T97.6Very high95.8Very high71 Ų7166.5 Ų66.544%0.43633%0.328SS..  trans-84.6166.8174.270.20000111E231 D232 V233T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 PolarHBondContact O-N 3.22Å; T229-E231 PolarHBondContact OG1-N 2.96Å; T229-D232 PolarHBondContact N-OD2 2.84Å; T229-D232 PolarHBondContact O-N 2.94Å; T229-D232 WeakPolarHBondContact OG1-CB 3.32Å; T229-D232 VanDerWaalsContact OG1-CG 3.32Å; T229-D232 PolarHBondContact OG1-N 2.92Å; T229-D232 PolarHBondContact OG1-OD2 2.97Å; T229-V233 WeakPolarHBondContact O-CG2 3.24Å; T229-V233 PolarHBondContact O-N 2.79Å; T229-V233 VanDerWaalsContact O-N 3.16Å
230Q97Very high95.9Very high117 Ų11760.4 Ų60.455%0.54730%0.295SS..Hα-helixtrans-65-34.7172.9-64-171.6-11.200111.7L215 W221 V233 E234L215-Q230 HydrophobicContact CD2-CB 4.31Å; L215-Q230 HydrophobicContact CD2-CG 3.83Å; W221-Q230 HydrophobicContact CH2-CG 3.91Å; W221-Q230 HydrophobicContact CZ2-CG 3.49Å; W221-Q230 VanDerWaalsContact CZ2-CG 3.49Å; Q230-V233 PolarHBondContact O-N 2.91Å; Q230-E234 PolarHBondContact O-N 3.16Å
231E96.3Very high96.1Very high142 Ų14257.3 Ų57.366%0.66428%0.282SS*.Hα-helixtrans-64.6-45.3175.9-176.9179.8-173.600111.7T229 V233 E234 L235T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 PolarHBondContact O-N 3.22Å; T229-E231 PolarHBondContact OG1-N 2.96Å; E231-V233 VanDerWaalsContact C-N 3.26Å; E231-V233 PolarHBondContact O-N 3.22Å; E231-E234 PolarHBondContact O-N 3.37Å; E231-L235 HydrophobicContact CG-CD1 4.2Å; E231-L235 WeakPolarHBondContact O-CB 3.3Å; E231-L235 WeakPolarHBondContact O-CG 3.47Å; E231-L235 PolarHBondContact O-N 3.31Å
232D96.6Very high96.1Very high42 Ų4260.5 Ų60.523%0.22530%0.3CS..Hα-helixtrans-58.8-39.5174.5-77.8-27000111.2V228 T229 A236 K298V228-D232 HydrophobicContact CG2-CB 3.22Å; T229-D232 PolarHBondContact N-OD2 2.84Å; T229-D232 PolarHBondContact O-N 2.94Å; T229-D232 WeakPolarHBondContact OG1-CB 3.32Å; T229-D232 VanDerWaalsContact OG1-CG 3.32Å; T229-D232 PolarHBondContact OG1-N 2.92Å; T229-D232 PolarHBondContact OG1-OD2 2.97Å; D232-A236 WeakPolarHBondContact O-CB 3.46Å; D232-A236 PolarHBondContact O-N 2.79Å; D232-K298 HydrophobicContact CB-CG 4.32Å; D232-K298 WeakPolarHBondContact OD2-CE 3.31Å; D232-K298 IonicContact OD2-NZ 3.96Å
233V97Very high96.3Very high0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-66.1-45.9176.8168.60000111.5V211 H212 L215 W221 V228 T229 Q230 E231 A236 Y237V211-V233 HydrophobicContact CG2-CG1 4.03Å; V211-V233 HydrophobicContact CG2-CG2 4.09Å; H212-V233 HydrophobicContact CB-CG1 4.1Å; L215-V233 HydrophobicContact CD1-CB 4.48Å; L215-V233 HydrophobicContact CD1-CG1 3.74Å; L215-V233 HydrophobicContact CD2-CG1 4.34Å; L215-V233 HydrophobicContact CG-CG1 4.06Å; W221-V233 HydrophobicContact CH2-CG2 4.19Å; W221-V233 HydrophobicContact CZ3-CG2 3.83Å; V228-V233 HydrophobicContact CG1-CG2 3.68Å; V228-V233 HydrophobicContact CG2-CG2 4.02Å; T229-V233 WeakPolarHBondContact O-CG2 3.24Å; T229-V233 PolarHBondContact O-N 2.79Å; T229-V233 VanDerWaalsContact O-N 3.16Å; Q230-V233 PolarHBondContact O-N 2.91Å; E231-V233 VanDerWaalsContact C-N 3.26Å; E231-V233 PolarHBondContact O-N 3.22Å; V233-A236 PolarHBondContact O-N 3.27Å; V233-Y237 VanDerWaalsContact O-CB 3.31Å; V233-Y237 WeakPolarHBondContact O-CB 3.43Å; V233-Y237 PolarHBondContact O-N 2.96Å
234E95.7Very high96.5Very high71 Ų7151.1 Ų51.133%0.33226%0.256SS..Hα-helixtrans-62.1-46.1178.4-17656.5-148.400111.1H212 Q230 E231 A236 Y237 Q238H212-E234 IonicContact CD2-OE2 3.64Å; H212-E234 PolarHBondContact CD2-OE2 2.99Å; H212-E234 IonicContact NE2-OE2 3.76Å; H212-E234 PolarHBondContact NE2-OE2 3.4Å; Q230-E234 PolarHBondContact O-N 3.16Å; E231-E234 PolarHBondContact O-N 3.37Å; E234-A236 PolarHBondContact O-N 2.83Å; E234-Y237 WeakPolarHBondContact O-CB 3.27Å; E234-Y237 PolarHBondContact O-N 2.96Å; E234-Q238 WeakPolarHBondContact O-CG 3.38Å; E234-Q238 PolarHBondContact O-N 2.92Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.43Å; E234-Q238 PolarHBondContact OE1-NE2 3.41Å
235L95.8Very high96.7Very high70 Ų7051.3 Ų51.337%0.36626%0.258SS..Hα-helixtrans-60.5-45.4177-72.2172.9000112E231 Y237 Q238 E239 P377E231-L235 HydrophobicContact CG-CD1 4.2Å; E231-L235 WeakPolarHBondContact O-CB 3.3Å; E231-L235 WeakPolarHBondContact O-CG 3.47Å; E231-L235 PolarHBondContact O-N 3.31Å; L235-Y237 VanDerWaalsContact C-N 3.31Å; L235-Y237 PolarHBondContact O-N 3.17Å; L235-Q238 PolarHBondContact O-N 3.3Å; L235-E239 WeakPolarHBondContact O-CB 3.5Å; L235-E239 WeakPolarHBondContact O-CG 3.36Å; L235-E239 PolarHBondContact O-N 2.86Å; L235-P377 HydrophobicContact CB-CG 4.03Å
236A96.9Very high96.9Very high6 Ų648.3 Ų48.35%0.0524%0.244CC..Hα-helixtrans-64.9-36.1177.200000112.3A208 D232 V233 E234 A240 M299A208-A236 HydrophobicContact CB-CB 4.24Å; D232-A236 WeakPolarHBondContact O-CB 3.46Å; D232-A236 PolarHBondContact O-N 2.79Å; V233-A236 PolarHBondContact O-N 3.27Å; E234-A236 PolarHBondContact O-N 2.83Å; A236-A240 VanDerWaalsContact O-CB 3.23Å; A236-A240 WeakPolarHBondContact O-CB 3.17Å; A236-A240 PolarHBondContact O-N 2.87Å; A236-M299 HydrophobicContact CB-CE 3.69Å; A236-M299 HydrophobicContact CB-CG 4.49Å; A236-M299 HydrophobicContact CB-SD 4.15Å
237Y97.1Very high97Very high10 Ų1041.2 Ų41.24%0.03921%0.206CC..Hα-helixtrans-66.3-46.8176.3173.2-105.3000112.1V93 D94 V209 H212 V233 E234 L235 A240 M241V93-Y237 WeakPolarHBondContact CA-OH 3.25Å; V93-Y237 HydrophobicContact CB-CE2 4.02Å; V93-Y237 VanDerWaalsContact CB-OH 3.3Å; V93-Y237 WeakPolarHBondContact CB-OH 3.03Å; V93-Y237 HydrophobicContact CG1-CE2 3.73Å; D94-Y237 PolarHBondContact N-OH 2.71Å; V209-Y237 HydrophobicContact CG1-CD2 4.37Å; V209-Y237 HydrophobicContact CG1-CE2 4.48Å; H212-Y237 HydrophobicContact CB-CD2 3.6Å; H212-Y237 HydrophobicContact CB-CE2 4.24Å; H212-Y237 HydrophobicContact CB-CG 3.87Å; H212-Y237 AromaticContact CD2-CD1 3.56Å; H212-Y237 AromaticContact CD2-CD2 3.98Å; H212-Y237 AromaticContact CD2-CG 3.51Å; H212-Y237 AromaticContact CE1-CE1 3.87Å; H212-Y237 AromaticContact CE1-CZ 3.86Å; H212-Y237 AromaticContact CG-CD1 3.98Å; H212-Y237 AromaticContact CG-CD2 3.54Å; H212-Y237 AromaticContact CG-CE2 3.87Å; H212-Y237 AromaticContact CG-CG 3.58Å; H212-Y237 AromaticContact ND1-CD2 3.92Å; H212-Y237 AromaticContact ND1-CE2 3.73Å; H212-Y237 AromaticContact ND1-CZ 3.87Å; H212-Y237 AromaticContact NE2-CD1 3.72Å; H212-Y237 AromaticContact NE2-CE1 3.78Å; V233-Y237 VanDerWaalsContact O-CB 3.31Å; V233-Y237 WeakPolarHBondContact O-CB 3.43Å; V233-Y237 PolarHBondContact O-N 2.96Å; E234-Y237 WeakPolarHBondContact O-CB 3.27Å; E234-Y237 PolarHBondContact O-N 2.96Å; L235-Y237 VanDerWaalsContact C-N 3.31Å; L235-Y237 PolarHBondContact O-N 3.17Å; Y237-A240 PolarHBondContact O-N 2.86Å; Y237-M241 VanDerWaalsContact O-CB 3.31Å; Y237-M241 WeakPolarHBondContact O-CB 3.35Å; Y237-M241 PolarHBondContact O-N 2.98Å
238Q96Very high97.1Very high59 Ų5938.7 Ų38.728%0.27619%0.191SC..Hα-helixtrans-61.9-45.9176-66.7-61.9-29.600111.3E234 L235 A240 M241 M242E234-Q238 WeakPolarHBondContact O-CG 3.38Å; E234-Q238 PolarHBondContact O-N 2.92Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.43Å; E234-Q238 PolarHBondContact OE1-NE2 3.41Å; L235-Q238 PolarHBondContact O-N 3.3Å; Q238-A240 PolarHBondContact O-N 3.29Å; Q238-M241 PolarHBondContact O-N 3.25Å; Q238-M242 WeakPolarHBondContact O-CB 3.2Å; Q238-M242 VanDerWaalsContact O-CG 3.27Å; Q238-M242 WeakPolarHBondContact O-CG 3.39Å; Q238-M242 PolarHBondContact O-N 2.92Å
239E95.9Very high97.2Very high33 Ų3341.5 Ų41.515%0.15420%0.201CC..Hα-helixtrans-62.1-43.5175.6-78.1-67.4157.900112.6L235 M242 N243 L296 P377 Q378L235-E239 WeakPolarHBondContact O-CB 3.5Å; L235-E239 WeakPolarHBondContact O-CG 3.36Å; L235-E239 PolarHBondContact O-N 2.86Å; E239-M242 PolarHBondContact O-N 2.9Å; E239-N243 WeakPolarHBondContact O-CB 3.25Å; E239-N243 PolarHBondContact O-N 3.46Å; E239-N243 PolarHBondContact O-ND2 2.83Å; E239-N243 PolarHBondContact OE2-ND2 3.12Å; E239-L296 HydrophobicContact CB-CD2 3.95Å; E239-P377 HydrophobicContact CG-CB 3.54Å; E239-P377 HydrophobicContact CG-CG 3.93Å; E239-P377 VanDerWaalsContact OE1-CA 3.26Å; E239-P377 WeakPolarHBondContact OE1-CA 3.49Å; E239-P377 WeakPolarHBondContact OE1-CB 3.47Å; E239-Q378 PolarHBondContact OE1-N 2.89Å
240A97.6Very high97.2Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-59.5-49.8174.500000110.2T205 A208 A236 Y237 Q238 M242 N243 M244 L296T205-A240 HydrophobicContact CG2-CB 4.36Å; A208-A240 HydrophobicContact CB-CB 3.78Å; A236-A240 VanDerWaalsContact O-CB 3.23Å; A236-A240 WeakPolarHBondContact O-CB 3.17Å; A236-A240 PolarHBondContact O-N 2.87Å; Y237-A240 PolarHBondContact O-N 2.86Å; Q238-A240 PolarHBondContact O-N 3.29Å; A240-M242 VanDerWaalsContact C-N 3.32Å; A240-M242 PolarHBondContact O-N 3.19Å; A240-N243 PolarHBondContact O-N 3.02Å; A240-M244 HydrophobicContact CB-CE 4.18Å; A240-M244 WeakPolarHBondContact O-CB 3.38Å; A240-M244 WeakPolarHBondContact O-CG 3.36Å; A240-M244 PolarHBondContact O-N 3.5Å; A240-L296 HydrophobicContact CB-CD1 3.75Å
241M97.3Very high97.3Very high8 Ų835.2 Ų35.24%0.03917%0.171CC..Hα-helixtrans-57.7-43.8179.7-173.2172.763.800112.1V93 D95 M98 I102 Y237 Q238 A245V93-M241 HydrophobicContact CB-SD 4.27Å; V93-M241 HydrophobicContact CG1-CB 4.3Å; V93-M241 HydrophobicContact CG1-CG 4.16Å; V93-M241 HydrophobicContact CG1-SD 4.39Å; V93-M241 HydrophobicContact CG2-SD 4.31Å; D95-M241 HydrophobicContact CB-SD 4.1Å; M98-M241 HydrophobicContact CB-CE 4.46Å; M98-M241 HydrophobicContact CB-CG 3.71Å; M98-M241 HydrophobicContact CB-SD 3.44Å; M98-M241 WeakPolarHBondContact CB-SD 3.22Å; M98-M241 HydrophobicContact CE-CG 3.82Å; M98-M241 HydrophobicContact CG-CE 4Å; M98-M241 HydrophobicContact CG-CG 4.08Å; M98-M241 HydrophobicContact CG-SD 3.63Å; I102-M241 HydrophobicContact CD1-CG 4.03Å; Y237-M241 VanDerWaalsContact O-CB 3.31Å; Y237-M241 WeakPolarHBondContact O-CB 3.35Å; Y237-M241 PolarHBondContact O-N 2.98Å; Q238-M241 PolarHBondContact O-N 3.25Å; M241-A245 WeakPolarHBondContact O-CB 3.35Å; M241-A245 PolarHBondContact O-N 2.93Å
242M96.4Very high97.4Very high104 Ų10428.4 Ų28.451%0.51214%0.14SC..Hα-helixtrans-66.1-46.5177-70.3-59.8-67.400112.4M98 Q238 E239 A240 M244 A245 R246M98-M242 HydrophobicContact CE-SD 3.94Å; Q238-M242 WeakPolarHBondContact O-CB 3.2Å; Q238-M242 VanDerWaalsContact O-CG 3.27Å; Q238-M242 WeakPolarHBondContact O-CG 3.39Å; Q238-M242 PolarHBondContact O-N 2.92Å; E239-M242 PolarHBondContact O-N 2.9Å; A240-M242 VanDerWaalsContact C-N 3.32Å; A240-M242 PolarHBondContact O-N 3.19Å; M242-M244 PolarHBondContact O-N 3.07Å; M242-A245 PolarHBondContact O-N 3.36Å; M242-R246 PolarHBondContact O-N 2.93Å; M242-R246 VanDerWaalsContact O-N 3.11Å
243N97.6Very high97.5Very high13 Ų1327.6 Ų27.67%0.0714%0.141CC..Hα-helixtrans-65.5-39.2178.3-75.6-67.9000111.7K201 E239 A240 A245 R246K201-N243 HydrophobicContact CD-CB 4.45Å; K201-N243 VanDerWaalsContact CD-O 3.29Å; K201-N243 WeakPolarHBondContact CD-O 3.48Å; K201-N243 VanDerWaalsContact CE-O 3.25Å; K201-N243 WeakPolarHBondContact CE-O 3.19Å; K201-N243 PolarHBondContact NZ-O 2.83Å; E239-N243 WeakPolarHBondContact O-CB 3.25Å; E239-N243 PolarHBondContact O-N 3.46Å; E239-N243 PolarHBondContact O-ND2 2.83Å; E239-N243 PolarHBondContact OE2-ND2 3.12Å; A240-N243 PolarHBondContact O-N 3.02Å; N243-A245 VanDerWaalsContact C-N 3.35Å; N243-R246 WeakPolarHBondContact O-CB 3.28Å; N243-R246 PolarHBondContact O-N 2.78Å; N243-R246 PolarHBondContact OD1-NH1 2.87Å
244M98.6Very high97.6Very high1 Ų127.7 Ų27.71%0.00514%0.141CC..Hα-helixtrans-67.8-32.8176.6-67.4-171.3-66.700112.4I92 V93 I102 A105 T205 V209 A240 M242 R246 T320 S321I92-M244 HydrophobicContact CD1-CE 3.77Å; I92-M244 HydrophobicContact CD1-SD 3.47Å; I92-M244 WeakPolarHBondContact CD1-SD 3.41Å; V93-M244 HydrophobicContact CG1-CE 4.01Å; I102-M244 HydrophobicContact CB-CB 4.48Å; I102-M244 HydrophobicContact CD1-CB 4.02Å; I102-M244 HydrophobicContact CD1-CE 3.97Å; I102-M244 HydrophobicContact CG1-CB 3.75Å; I102-M244 HydrophobicContact CG2-CB 3.97Å; A105-M244 WeakPolarHBondContact CB-O 3.48Å; T205-M244 HydrophobicContact CG2-CG 3.87Å; T205-M244 HydrophobicContact CG2-SD 4.15Å; V209-M244 HydrophobicContact CG1-CE 3.8Å; A240-M244 HydrophobicContact CB-CE 4.18Å; A240-M244 WeakPolarHBondContact O-CB 3.38Å; A240-M244 WeakPolarHBondContact O-CG 3.36Å; A240-M244 PolarHBondContact O-N 3.5Å; M242-M244 PolarHBondContact O-N 3.07Å; M244-R246 VanDerWaalsContact C-N 3.33Å; M244-T320 WeakPolarHBondContact CG-O 3.29Å; M244-T320 HydrophobicContact SD-CG2 4.48Å; M244-S321 WeakPolarHBondContact O-CB 3.45Å; M244-S321 PolarHBondContact O-OG 3.42Å
245A98.4Very high97.7Very high4 Ų424.4 Ų24.43%0.03313%0.126CC..Hα-helixtrans-79.4-14.117600000113.8M98 R101 I102 M241 M242 N243M98-A245 HydrophobicContact CE-CB 3.58Å; R101-A245 HydrophobicContact CB-CB 4.06Å; I102-A245 HydrophobicContact CG1-CB 4.04Å; M241-A245 WeakPolarHBondContact O-CB 3.35Å; M241-A245 PolarHBondContact O-N 2.93Å; M242-A245 PolarHBondContact O-N 3.36Å; N243-A245 VanDerWaalsContact C-N 3.35Å
246R98.1Very high97.8Very high41 Ų4124.5 Ų24.516%0.15512%0.124CC..SBendtrans-73.3128.4178.6-174.4172.378.2-138.47.4111.1T200 K201 M242 N243 M244 H349T200-R246 PolarHBondContact O-NH2 3.36Å; K201-R246 WeakPolarHBondContact CE-O 3.16Å; K201-R246 PolarHBondContact NZ-O 3.08Å; M242-R246 PolarHBondContact O-N 2.93Å; M242-R246 VanDerWaalsContact O-N 3.11Å; N243-R246 WeakPolarHBondContact O-CB 3.28Å; N243-R246 PolarHBondContact O-N 2.78Å; N243-R246 PolarHBondContact OD1-NH1 2.87Å; M244-R246 VanDerWaalsContact C-N 3.33Å; R246-H349 WeakPolarHBondContact CD-CD2 3.46Å; R246-H349 VanDerWaalsContact CD-NE2 3.35Å; R246-H349 WeakPolarHBondContact CD-NE2 3.25Å; R246-H349 VanDerWaalsContact CZ-CG 3.49Å; R246-H349 VanDerWaalsContact NH1-CB 3.33Å; R246-H349 PolarHBondContact NH1-CD2 2.78Å; R246-H349 PolarHBondContact NH1-CE1 3.03Å; R246-H349 PolarHBondContact NH1-ND1 3.16Å
247L98.5Very high97.9Very high13 Ų1328.5 Ų28.57%0.06815%0.148CC..  trans-69.9143.7174.5-57.6-178.2000111.5A105 L108 Y112 E154 A155 R249A105-L247 HydrophobicContact CB-CD2 3.82Å; L108-L247 HydrophobicContact CD1-CD2 3.93Å; Y112-L247 HydrophobicContact CE2-CB 4.01Å; Y112-L247 HydrophobicContact CE2-CD2 4.4Å; E154-L247 HydrophobicContact CB-CD1 4.17Å; E154-L247 HydrophobicContact CG-CD1 3.93Å; A155-L247 HydrophobicContact CB-CD1 3.75Å; L247-R249 HydrophobicContact CB-CB 4.15Å; L247-R249 PolarHBondContact O-N 3.3Å
248N98.8Very high98Very high4 Ų428.4 Ų28.42%0.02115%0.148CC..SBendtrans-80.27.2170-74.7-38.8000112.8S109 Y112 K201 T250 A251 A252 G322 L324S109-N248 PolarHBondContact OG-ND2 2.91Å; Y112-N248 HydrophobicContact CD2-CB 3.73Å; Y112-N248 HydrophobicContact CG-CB 4.04Å; K201-N248 VanDerWaalsContact CE-OD1 3.28Å; K201-N248 WeakPolarHBondContact CE-OD1 3.29Å; N248-T250 PolarHBondContact O-N 2.89Å; N248-A251 WeakPolarHBondContact O-CA 3.45Å; N248-A251 WeakPolarHBondContact O-CB 3.47Å; N248-A251 PolarHBondContact O-N 3.11Å; N248-A252 PolarHBondContact O-N 2.93Å; N248-G322 PolarHBondContact ND2-O 3.01Å; N248-L324 HydrophobicContact CB-CD1 4.29Å; N248-L324 HydrophobicContact CB-CD2 3.96Å; N248-L324 HydrophobicContact CB-CG 3.92Å
249R98.3Very high98.1Very high62 Ų6230.3 Ų30.323%0.23416%0.16CC..Hα-helixtrans-52.4-48.5-176.2-168.1175.8-174.1-166.80.5113.8Y112 T117 E118 E154 A155 L247 A251 A252 G253Y112-R249 HydrophobicContact CD1-CB 4.19Å; Y112-R249 HydrophobicContact CD1-CG 4.45Å; Y112-R249 HydrophobicContact CE1-CB 3.66Å; Y112-R249 HydrophobicContact CE1-CG 3.75Å; Y112-R249 HydrophobicContact CE2-CB 4.06Å; T117-R249 PolarHBondContact O-NE 3.11Å; E118-R249 VanDerWaalsContact CD-NH2 3.27Å; E118-R249 IonicContact OE1-CZ 2.85Å; E118-R249 IonicContact OE1-NE 3.41Å; E118-R249 IonicContact OE1-NH2 2.95Å; E118-R249 PolarHBondContact OE1-NH2 3.4Å; E118-R249 IonicContact OE2-NH2 3.35Å; E118-R249 PolarHBondContact OE2-NH2 3.3Å; E154-R249 PolarHBondContact O-NH1 3.32Å; A155-R249 VanDerWaalsContact O-CZ 3.26Å; A155-R249 PolarHBondContact O-NH1 2.72Å; L247-R249 HydrophobicContact CB-CB 4.15Å; L247-R249 PolarHBondContact O-N 3.3Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 2.79Å; R249-A252 WeakPolarHBondContact O-CB 3.45Å; R249-A252 PolarHBondContact O-N 2.78Å; R249-G253 PolarHBondContact O-N 2.96Å; R249-G253 VanDerWaalsContact O-N 3.12Å
250T98Very high98.2Very high52 Ų5229.2 Ų29.232%0.31916%0.157SC..Hα-helixtrans-64.1-40.8177.9-56.50000111.5N248 A252 G253 L254 Y345N248-T250 PolarHBondContact O-N 2.89Å; T250-A252 VanDerWaalsContact C-N 3.31Å; T250-A252 PolarHBondContact O-N 3.32Å; T250-G253 PolarHBondContact O-N 2.82Å; T250-L254 HydrophobicContact CG2-CD1 4.24Å; T250-L254 HydrophobicContact CG2-CG 4.48Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 2.76Å; T250-Y345 HydrophobicContact CG2-CD1 4.42Å; T250-Y345 HydrophobicContact CG2-CD2 4.22Å; T250-Y345 HydrophobicContact CG2-CG 3.85Å
251A98.4Very high98.3Very high4 Ų430.5 Ų30.53%0.03316%0.163CC..Hα-helixtrans-61.3-42.8176.900000110.8T200 N248 R249 L254 M255 L324 I340T200-A251 HydrophobicContact CG2-CB 4.12Å; N248-A251 WeakPolarHBondContact O-CA 3.45Å; N248-A251 WeakPolarHBondContact O-CB 3.47Å; N248-A251 PolarHBondContact O-N 3.11Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 2.79Å; A251-L254 PolarHBondContact O-N 3.48Å; A251-M255 VanDerWaalsContact O-CG 3.31Å; A251-M255 WeakPolarHBondContact O-CG 3.34Å; A251-M255 PolarHBondContact O-N 2.98Å; A251-L324 HydrophobicContact CB-CD1 3.74Å; A251-L324 HydrophobicContact CB-CG 4.26Å; A251-I340 HydrophobicContact CB-CD1 3.86Å
252A98.7Very high98.4Very high0 Ų030.1 Ų30.10%016%0.161CC..Hα-helixtrans-58-48.3175.900000113.1Y112 T117 N248 R249 T250 L254 M255Y112-A252 HydrophobicContact CD1-CB 4.02Å; Y112-A252 HydrophobicContact CG-CB 4.33Å; Y112-A252 WeakPolarHBondContact O-CB 3.34Å; T117-A252 HydrophobicContact CG2-CB 4.13Å; N248-A252 PolarHBondContact O-N 2.93Å; R249-A252 WeakPolarHBondContact O-CB 3.45Å; R249-A252 PolarHBondContact O-N 2.78Å; T250-A252 VanDerWaalsContact C-N 3.31Å; T250-A252 PolarHBondContact O-N 3.32Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 PolarHBondContact O-N 2.77Å; A252-M255 VanDerWaalsContact O-CB 3.32Å; A252-M255 WeakPolarHBondContact O-CB 3.48Å; A252-M255 PolarHBondContact O-N 2.58Å; A252-M255 VanDerWaalsContact O-N 3.13Å
253G98.3Very high98.5Very high24 Ų2425.3 Ų25.325%0.24714%0.138CC..Hα-helixtrans-64.4-35.3177.700000113.2T117 R249 T250 M255 H256 T257T117-G253 VanDerWaalsContact CG2-CA 3.45Å; R249-G253 PolarHBondContact O-N 2.96Å; R249-G253 VanDerWaalsContact O-N 3.12Å; T250-G253 PolarHBondContact O-N 2.82Å; G253-M255 VanDerWaalsContact C-N 3.3Å; G253-M255 PolarHBondContact O-N 2.95Å; G253-H256 PolarHBondContact O-N 2.66Å; G253-T257 PolarHBondContact O-N 3Å; G253-T257 PolarHBondContact O-OG1 3.47Å
254L98.5Very high98.5Very high2 Ų224.7 Ų24.71%0.0114%0.135CC..Hα-helixtrans-72.2-23.6176.2-67.7-176.7000112.8T250 A251 A252 H256 T257 F258 F336 E339 I340 Y345T250-L254 HydrophobicContact CG2-CD1 4.24Å; T250-L254 HydrophobicContact CG2-CG 4.48Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 2.76Å; A251-L254 PolarHBondContact O-N 3.48Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 PolarHBondContact O-N 2.77Å; L254-H256 VanDerWaalsContact C-N 3.33Å; L254-H256 PolarHBondContact O-N 2.84Å; L254-T257 PolarHBondContact O-N 3.16Å; L254-F258 HydrophobicContact CB-CD2 4.22Å; L254-F258 HydrophobicContact CD2-CD2 4.43Å; L254-F258 HydrophobicContact CD2-CE2 4.01Å; L254-F258 WeakPolarHBondContact O-CD2 3.45Å; L254-F258 PolarHBondContact O-N 2.86Å; L254-F336 HydrophobicContact CB-CD2 3.81Å; L254-F336 HydrophobicContact CB-CE2 3.45Å; L254-F336 VanDerWaalsContact CB-CE2 3.45Å; L254-F336 HydrophobicContact CB-CZ 4.29Å; L254-E339 HydrophobicContact CD1-CB 4.32Å; L254-E339 HydrophobicContact CD1-CG 4.25Å; L254-E339 HydrophobicContact CD2-CG 3.79Å; L254-I340 HydrophobicContact CD1-CB 3.6Å; L254-I340 HydrophobicContact CD1-CG1 4Å; L254-Y345 HydrophobicContact CD2-CE2 4.2Å
255M98.8Very high98.5Very high2 Ų224.7 Ų24.71%0.0113%0.134CC..Hα-helixtrans-59.9-43.5173-69.9-158.1-62.700111.7Y112 I186 A251 A252 G253 N259 A260 A263 L324 I326Y112-M255 WeakPolarHBondContact O-CE 3.26Å; I186-M255 HydrophobicContact CD1-CB 3.72Å; A251-M255 VanDerWaalsContact O-CG 3.31Å; A251-M255 WeakPolarHBondContact O-CG 3.34Å; A251-M255 PolarHBondContact O-N 2.98Å; A252-M255 VanDerWaalsContact O-CB 3.32Å; A252-M255 WeakPolarHBondContact O-CB 3.48Å; A252-M255 PolarHBondContact O-N 2.58Å; A252-M255 VanDerWaalsContact O-N 3.13Å; G253-M255 VanDerWaalsContact C-N 3.3Å; G253-M255 PolarHBondContact O-N 2.95Å; M255-N259 PolarHBondContact O-N 3.39Å; M255-A260 HydrophobicContact CB-CB 3.62Å; M255-A260 HydrophobicContact CG-CB 3.92Å; M255-A260 PolarHBondContact O-N 2.72Å; M255-A260 HydrophobicContact SD-CB 4.15Å; M255-A263 HydrophobicContact CE-CB 4.05Å; M255-A263 HydrophobicContact SD-CB 3.41Å; M255-A263 WeakPolarHBondContact SD-CB 3.43Å; M255-L324 HydrophobicContact CE-CD1 4.03Å; M255-L324 HydrophobicContact SD-CD1 4.19Å; M255-I326 HydrophobicContact CG-CD1 3.88Å; M255-I326 HydrophobicContact CG-CG1 4.39Å; M255-I326 HydrophobicContact CG-CG2 4.07Å; M255-I326 HydrophobicContact SD-CB 4.41Å; M255-I326 HydrophobicContact SD-CD1 3.94Å; M255-I326 HydrophobicContact SD-CG1 3.83Å; M255-I326 HydrophobicContact SD-CG2 3.73Å
256H98.6Very high98.6Very high72 Ų7224.5 Ų24.533%0.33313%0.133SC..Hα-helixtrans-62.2-47.4173.4-74.6-78.3000111.8G115 N183 E184 G253 L254 F258 N259G115-H256 PolarHBondContact O-CD2 2.81Å; G115-H256 PolarHBondContact O-NE2 3.29Å; N183-H256 PolarHBondContact O-CE1 3.49Å; E184-H256 PolarHBondContact O-NE2 3.45Å; G253-H256 PolarHBondContact O-N 2.66Å; L254-H256 VanDerWaalsContact C-N 3.33Å; L254-H256 PolarHBondContact O-N 2.84Å; H256-F258 VanDerWaalsContact C-N 3.29Å; H256-F258 PolarHBondContact O-N 3.4Å; H256-N259 PolarHBondContact O-N 2.89Å
257T98.3Very high98.5Very high90 Ų9022.7 Ų22.755%0.55213%0.126SC*.Hα-helixtrans-61.4-37.7-176.5-57.80000112.7G253 L254G253-T257 PolarHBondContact O-N 3Å; G253-T257 PolarHBondContact O-OG1 3.47Å; L254-T257 PolarHBondContact O-N 3.16Å
258F98.6Very high98.3Very high9 Ų922.9 Ų22.94%0.03913%0.131CC..THydrogen-bonded Turntrans-105.712.5-175.6-67.8-70.7000113.6L254 H256 L328 Q332 R335 F336 E339L254-F258 HydrophobicContact CB-CD2 4.22Å; L254-F258 HydrophobicContact CD2-CD2 4.43Å; L254-F258 HydrophobicContact CD2-CE2 4.01Å; L254-F258 WeakPolarHBondContact O-CD2 3.45Å; L254-F258 PolarHBondContact O-N 2.86Å; H256-F258 VanDerWaalsContact C-N 3.29Å; H256-F258 PolarHBondContact O-N 3.4Å; F258-L328 HydrophobicContact CB-CD2 3.91Å; F258-L328 WeakPolarHBondContact O-CD2 3.26Å; F258-Q332 HydrophobicContact CB-CB 4.22Å; F258-Q332 HydrophobicContact CD1-CB 4.37Å; F258-Q332 WeakPolarHBondContact O-CB 3.44Å; F258-R335 HydrophobicContact CD1-CB 4.04Å; F258-R335 HydrophobicContact CE1-CB 3.44Å; F258-R335 VanDerWaalsContact CE1-CB 3.44Å; F258-R335 HydrophobicContact CZ-CB 4.09Å; F258-F336 HydrophobicContact CB-CB 4.19Å; F258-F336 HydrophobicContact CB-CD2 4.14Å; F258-F336 HydrophobicContact CD2-CB 3.87Å; F258-F336 AromaticContact CD2-CD2 3.75Å; F258-F336 HydrophobicContact CD2-CD2 3.75Å; F258-F336 HydrophobicContact CD2-CG 4.25Å; F258-F336 HydrophobicContact CE2-CB 4.39Å; F258-F336 HydrophobicContact CG-CB 3.95Å; F258-F336 HydrophobicContact CG-CD2 4.27Å; F258-E339 HydrophobicContact CE2-CB 3.72Å; F258-E339 HydrophobicContact CE2-CG 3.98Å; F258-E339 HydrophobicContact CZ-CB 3.82Å; F258-E339 HydrophobicContact CZ-CG 4.16Å
259N98.3Very high98.2Very high99 Ų9924.9 Ų24.953%0.52914%0.14SC..THydrogen-bonded Turntrans60.250.1171.7-154.582.9000113.1M255 H256 H261 P329M255-N259 PolarHBondContact O-N 3.39Å; H256-N259 PolarHBondContact O-N 2.89Å; N259-H261 PolarHBondContact O-CD2 3.38Å; N259-P329 VanDerWaalsContact O-CD 3.22Å; N259-P329 WeakPolarHBondContact O-CD 3.41Å
260A98.8Very high98.1Very high10 Ų1022 Ų228%0.08313%0.129CC..  trans-58.4143.7173.400000111.1I186 M255 I326 L328I186-A260 HydrophobicContact CD1-CB 4.49Å; M255-A260 HydrophobicContact CB-CB 3.62Å; M255-A260 HydrophobicContact CG-CB 3.92Å; M255-A260 PolarHBondContact O-N 2.72Å; M255-A260 HydrophobicContact SD-CB 4.15Å; A260-I326 HydrophobicContact CB-CG2 3.62Å; A260-L328 HydrophobicContact CB-CD2 3.95Å; A260-L328 HydrophobicContact CB-CG 4.2Å
261H98.8Very high98.2Very high26 Ų2619.6 Ų19.612%0.1211%0.114CC..  trans-99.8-29.6-176.6-70.9165.6000113.3N190 D195 N259 C327N190-H261 WeakPolarHBondContact CA-O 3.11Å; N190-H261 HydrophobicContact CB-CB 4.39Å; N190-H261 WeakPolarHBondContact CB-O 3.39Å; N190-H261 PolarHBondContact N-O 3.3Å; N190-H261 VanDerWaalsContact N-O 3.16Å; N190-H261 WeakPolarHBondContact O-CB 3.19Å; D195-H261 VanDerWaalsContact CG-ND1 3.28Å; D195-H261 IonicContact OD1-CE1 3.99Å; D195-H261 PolarHBondContact OD1-CE1 3.45Å; D195-H261 IonicContact OD1-ND1 3.08Å; D195-H261 PolarHBondContact OD1-ND1 3.47Å; D195-H261 VanDerWaalsContact OD1-ND1 3.14Å; D195-H261 IonicContact OD2-CE1 3.49Å; D195-H261 IonicContact OD2-CG 3.64Å; D195-H261 IonicContact OD2-ND1 3.39Å; D195-H261 PolarHBondContact OD2-ND1 3.21Å; N259-H261 PolarHBondContact O-CD2 3.38Å; H261-C327 HydrophobicContact CB-CB 4.41Å; H261-C327 PolarHBondContact N-O 2.9Å
262A98.8Very high98.2Very high1 Ų120.8 Ų20.81%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-163.6151.7176.900000109A191 L278 C327A191-A262 HydrophobicContact CB-CB 4.43Å; A262-L278 HydrophobicContact CB-CD1 4.07Å; A262-C327 HydrophobicContact CB-CB 4.18Å; A262-C327 PolarHBondContact O-N 3.4Å
263A98.9Very high98.1Very high3 Ų321.2 Ų21.23%0.02512%0.124CC..EExtended strand (participates in β ladder)trans-149.6161.3169.500000111.7A113 P188 M255 L278 L325 I326A113-A263 WeakPolarHBondContact O-CB 3.25Å; P188-A263 WeakPolarHBondContact CB-O 3.48Å; M255-A263 HydrophobicContact CE-CB 4.05Å; M255-A263 HydrophobicContact SD-CB 3.41Å; M255-A263 WeakPolarHBondContact SD-CB 3.43Å; A263-L278 WeakPolarHBondContact O-CD1 3.25Å; A263-L325 WeakPolarHBondContact CA-O 3.34Å; A263-I326 HydrophobicContact CB-CB 4.39Å; A263-I326 HydrophobicContact CB-CG1 4.12Å; A263-I326 HydrophobicContact CB-CG2 4.33Å
264T98.9Very high98.2Very high0 Ų020.5 Ų20.50%012%0.115CC..EExtended strand (participates in β ladder)trans-142.8166.5166.1-171.50000107.1D69 I266 H274 L278 L324 L325D69-T264 VanDerWaalsContact CG-OG1 3.31Å; D69-T264 PolarHBondContact OD1-OG1 3.44Å; D69-T264 VanDerWaalsContact OD2-CA 3.26Å; D69-T264 WeakPolarHBondContact OD2-CA 3.32Å; D69-T264 WeakPolarHBondContact OD2-CB 3.15Å; D69-T264 PolarHBondContact OD2-OG1 3.2Å; T264-I266 HydrophobicContact CG2-CD1 4.46Å; T264-H274 HydrophobicContact CG2-CB 4.11Å; T264-L278 HydrophobicContact CG2-CB 3.91Å; T264-L278 HydrophobicContact CG2-CD2 3.94Å; T264-L278 HydrophobicContact CG2-CG 4.4Å; T264-L324 CarbonylContact O-C 3.59Å; T264-L324 WeakPolarHBondContact O-CA 3.3Å; T264-L325 HydrophobicContact CG2-CB 4.1Å; T264-L325 HydrophobicContact CG2-CD2 4.31Å; T264-L325 PolarHBondContact N-O 2.98Å; T264-L325 VanDerWaalsContact N-O 3.08Å; T264-L325 PolarHBondContact O-N 3.14Å
265D98.7Very high98.2Very high0 Ų020.4 Ų20.40%011%0.114CC..EExtended strand (participates in β ladder)trans-98.6162.8168.283.4-17.4000111.6S109 A113 T267 H274 G323 L324S109-D265 WeakPolarHBondContact CB-OD2 3.44Å; S109-D265 WeakPolarHBondContact OG-CB 3.19Å; S109-D265 PolarHBondContact OG-OD2 3.17Å; A113-D265 HydrophobicContact CB-CB 4.37Å; D265-T267 WeakPolarHBondContact OD2-CG2 3.34Å; D265-H274 WeakPolarHBondContact O-CB 3.4Å; D265-H274 VanDerWaalsContact O-CG 3.23Å; D265-H274 PolarHBondContact O-ND1 3.44Å; D265-G323 WeakPolarHBondContact CA-O 3.5Å; D265-L324 HydrophobicContact CB-CD2 3.81Å
266I98.8Very high98.2Very high0 Ų023 Ų230%013%0.126CC..  trans-105.7104.9179.4-52.4-53.3000109.4L199 L203 T264 I271 H274 E319 G322 G323 L325L199-I266 HydrophobicContact CD1-CG1 3.69Å; L203-I266 HydrophobicContact CD2-CG2 4.08Å; T264-I266 HydrophobicContact CG2-CD1 4.46Å; I266-I271 HydrophobicContact CD1-CD1 3.51Å; I266-I271 HydrophobicContact CG1-CD1 3.75Å; I266-I271 HydrophobicContact CG2-CB 4.17Å; I266-H274 HydrophobicContact CD1-CB 3.62Å; I266-E319 HydrophobicContact CG2-CB 4.16Å; I266-E319 HydrophobicContact CG2-CG 3.73Å; I266-E319 WeakPolarHBondContact O-CB 3.49Å; I266-G322 WeakPolarHBondContact O-CA 3.31Å; I266-G322 PolarHBondContact O-N 3.08Å; I266-G323 PolarHBondContact N-O 3.29Å; I266-L325 HydrophobicContact CD1-CB 3.72Å; I266-L325 HydrophobicContact CD1-CD2 4.14Å; I266-L325 HydrophobicContact CG1-CB 4.19Å
267T96.8Very high98.1Very high3 Ų320.5 Ų20.52%0.01812%0.116CC..  trans-126.1-127.5178.6640000111.5D265 F269 G270 H274 E319D265-T267 WeakPolarHBondContact OD2-CG2 3.34Å; T267-F269 VanDerWaalsContact C-N 3.28Å; T267-F269 PolarHBondContact O-N 3.35Å; T267-F269 VanDerWaalsContact O-N 3.14Å; T267-G270 PolarHBondContact O-N 2.86Å; T267-G270 VanDerWaalsContact O-N 3.14Å; T267-H274 PolarHBondContact N-CD2 2.89Å; T267-H274 PolarHBondContact N-NE2 3.37Å; T267-H274 VanDerWaalsContact N-NE2 3.17Å; T267-H274 PolarHBondContact OG1-CE1 3.33Å; T267-H274 PolarHBondContact OG1-NE2 3.22Å; T267-E319 CarbonylContact C-O 3.56Å; T267-E319 WeakPolarHBondContact CA-O 3.47Å; T267-E319 PolarHBondContact O-N 3.47Å; T267-E319 VanDerWaalsContact O-O 3.13Å
268G94.8Very high98.1Very high17 Ų1716.2 Ų16.218%0.1759%0.09CC..THydrogen-bonded Turntrans-69.8-16-160.300000115.8E319G268-E319 PolarHBondContact N-O 2.87Å
269F95.6Very high98.1Very high47 Ų4715.8 Ų15.821%0.2069%0.088CC..THydrogen-bonded Turntrans-93.1-0.4177.6-58-45.1000113.8K32 V33 Q35 L38 T267 H274K32-F269 HydrophobicContact CB-CE1 4.08Å; V33-F269 WeakPolarHBondContact O-CE1 3.3Å; Q35-F269 HydrophobicContact CB-CD1 4.22Å; Q35-F269 HydrophobicContact CB-CE1 4.01Å; Q35-F269 HydrophobicContact CB-CE2 4.31Å; Q35-F269 HydrophobicContact CB-CG 4.48Å; Q35-F269 HydrophobicContact CB-CZ 4.06Å; Q35-F269 HydrophobicContact CG-CE2 4.24Å; Q35-F269 HydrophobicContact CG-CZ 4.37Å; L38-F269 HydrophobicContact CD2-CZ 4.34Å; T267-F269 VanDerWaalsContact C-N 3.28Å; T267-F269 PolarHBondContact O-N 3.35Å; T267-F269 VanDerWaalsContact O-N 3.14Å; F269-H274 PolarHBondContact N-NE2 3.3Å
270G97.8Very high98.1Very high0 Ų017.1 Ų17.10%09%0.085CC..Hα-helixtrans71.3168.3-176.800000113.6T267 L272 G273 H274 G315 C317T267-G270 PolarHBondContact O-N 2.86Å; T267-G270 VanDerWaalsContact O-N 3.14Å; G270-L272 VanDerWaalsContact C-N 3.25Å; G270-L272 PolarHBondContact O-N 3.47Å; G270-L272 VanDerWaalsContact O-N 3.16Å; G270-G273 PolarHBondContact O-N 2.91Å; G270-G273 VanDerWaalsContact O-N 3.14Å; G270-H274 PolarHBondContact O-CD2 3.35Å; G270-H274 VanDerWaalsContact O-CD2 3.32Å; G270-H274 PolarHBondContact O-N 3.24Å; G270-H274 VanDerWaalsContact O-N 3.11Å; G270-G315 CarbonylContact C-O 3.45Å; G270-C317 WeakPolarHBondContact CA-O 3.21Å
271I98.8Very high98Very high2 Ų219.8 Ų19.81%0.0110%0.096CC..Hα-helixtrans-54.2-38.8-173.7-18062.2000113.3L199 L203 I266 A275 I290 L293 G315 L325 I354 I366L199-I271 HydrophobicContact CD1-CD1 4.33Å; L199-I271 HydrophobicContact CD2-CD1 4.4Å; L203-I271 HydrophobicContact CD1-CB 4.04Å; L203-I271 HydrophobicContact CD1-CG1 4.34Å; L203-I271 HydrophobicContact CD1-CG2 3.8Å; L203-I271 HydrophobicContact CD2-CB 4Å; L203-I271 HydrophobicContact CD2-CG2 4.48Å; I266-I271 HydrophobicContact CD1-CD1 3.51Å; I266-I271 HydrophobicContact CG1-CD1 3.75Å; I266-I271 HydrophobicContact CG2-CB 4.17Å; I271-A275 WeakPolarHBondContact O-CB 3.33Å; I271-A275 PolarHBondContact O-N 3.02Å; I271-I290 HydrophobicContact CD1-CD1 4.38Å; I271-I290 HydrophobicContact CG1-CD1 3.9Å; I271-L293 HydrophobicContact CG2-CD2 4.26Å; I271-G315 PolarHBondContact N-O 3.08Å; I271-G315 VanDerWaalsContact N-O 3.17Å; I271-L325 HydrophobicContact CD1-CD1 4.4Å; I271-L325 HydrophobicContact CD1-CD2 4.16Å; I271-I354 HydrophobicContact CD1-CD1 4.14Å; I271-I366 HydrophobicContact CG2-CD1 4.24Å
272L98.6Very high98Very high30 Ų3018.7 Ų18.716%0.1579%0.091CC..Hα-helixtrans-73.4-42.4-179.4-178.460000111.6G270 A275 Q276 H314 G315 I366G270-L272 VanDerWaalsContact C-N 3.25Å; G270-L272 PolarHBondContact O-N 3.47Å; G270-L272 VanDerWaalsContact O-N 3.16Å; L272-A275 PolarHBondContact O-N 3.09Å; L272-Q276 HydrophobicContact CD1-CG 4.18Å; L272-Q276 HydrophobicContact CG-CG 4.44Å; L272-Q276 WeakPolarHBondContact O-CB 3.5Å; L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.95Å; L272-H314 WeakPolarHBondContact CD2-O 3.46Å; L272-G315 WeakPolarHBondContact CB-O 3.15Å; L272-G315 PolarHBondContact N-O 3.45Å; L272-I366 HydrophobicContact CB-CD1 4.03Å; L272-I366 HydrophobicContact CD1-CG1 4.32Å
273G97.8Very high97.9Very high8 Ų826 Ų268%0.08212%0.118CC..Hα-helixtrans-61.5-48.8179.900000111.8G270 Q276 T277G270-G273 PolarHBondContact O-N 2.91Å; G270-G273 VanDerWaalsContact O-N 3.14Å; G273-Q276 PolarHBondContact O-N 3.35Å; G273-T277 PolarHBondContact O-N 3.46Å; G273-T277 PolarHBondContact O-OG1 3.1Å; G273-T277 VanDerWaalsContact O-OG1 3.07Å
274H98.6Very high97.8Very high10 Ų1027.8 Ų27.85%0.04613%0.131CC..Hα-helixtrans-66.7-40.8177.2-73.5-88.7000112.4T264 D265 I266 T267 F269 G270 Q276 T277 L278T264-H274 HydrophobicContact CG2-CB 4.11Å; D265-H274 WeakPolarHBondContact O-CB 3.4Å; D265-H274 VanDerWaalsContact O-CG 3.23Å; D265-H274 PolarHBondContact O-ND1 3.44Å; I266-H274 HydrophobicContact CD1-CB 3.62Å; T267-H274 PolarHBondContact N-CD2 2.89Å; T267-H274 PolarHBondContact N-NE2 3.37Å; T267-H274 VanDerWaalsContact N-NE2 3.17Å; T267-H274 PolarHBondContact OG1-CE1 3.33Å; T267-H274 PolarHBondContact OG1-NE2 3.22Å; F269-H274 PolarHBondContact N-NE2 3.3Å; G270-H274 PolarHBondContact O-CD2 3.35Å; G270-H274 VanDerWaalsContact O-CD2 3.32Å; G270-H274 PolarHBondContact O-N 3.24Å; G270-H274 VanDerWaalsContact O-N 3.11Å; H274-Q276 VanDerWaalsContact C-N 3.28Å; H274-Q276 PolarHBondContact O-N 2.77Å; H274-T277 WeakPolarHBondContact O-CB 3.32Å; H274-T277 PolarHBondContact O-N 2.87Å; H274-L278 PolarHBondContact O-N 3.46Å
275A98.8Very high97.8Very high0 Ų033.7 Ų33.70%016%0.158CC..Hα-helixtrans-60.4-37.6173.800000112.5I271 L272 A279 F288 I290 L325 A364I271-A275 WeakPolarHBondContact O-CB 3.33Å; I271-A275 PolarHBondContact O-N 3.02Å; L272-A275 PolarHBondContact O-N 3.09Å; A275-A279 VanDerWaalsContact O-CB 3.28Å; A275-A279 WeakPolarHBondContact O-CB 3.02Å; A275-A279 PolarHBondContact O-N 3.28Å; A275-F288 WeakPolarHBondContact O-CD2 3.37Å; A275-I290 HydrophobicContact CB-CD1 4.04Å; A275-L325 HydrophobicContact CB-CD2 3.67Å; A275-A364 VanDerWaalsContact C-CB 3.48Å; A275-A364 HydrophobicContact CB-CB 3.78Å; A275-A364 WeakPolarHBondContact O-CB 3.15Å
276Q98.6Very high97.8Very high55 Ų5533.7 Ų33.726%0.25716%0.158SC..Hα-helixtrans-67.4-40.7175.5-74.8174-11.800112L272 G273 H274 A279 R280 A364L272-Q276 HydrophobicContact CD1-CG 4.18Å; L272-Q276 HydrophobicContact CG-CG 4.44Å; L272-Q276 WeakPolarHBondContact O-CB 3.5Å; L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.95Å; G273-Q276 PolarHBondContact O-N 3.35Å; H274-Q276 VanDerWaalsContact C-N 3.28Å; H274-Q276 PolarHBondContact O-N 2.77Å; Q276-A279 PolarHBondContact O-N 2.9Å; Q276-R280 VanDerWaalsContact O-CG 3.29Å; Q276-R280 WeakPolarHBondContact O-CG 3.26Å; Q276-R280 PolarHBondContact O-N 3.37Å; Q276-R280 VanDerWaalsContact O-N 3.07Å; Q276-A364 HydrophobicContact CB-CB 4.44Å; Q276-A364 HydrophobicContact CG-CB 3.85Å
277T97.8Very high97.8Very high20 Ų2034.2 Ų34.212%0.12316%0.162CC..Hα-helixtrans-59-52173.5-53.80000110.8Q35 G67 M68 G273 H274 A279 R280 Q281Q35-T277 PolarHBondContact NE2-OG1 3.28Å; G67-T277 VanDerWaalsContact O-CG2 3.29Å; G67-T277 WeakPolarHBondContact O-CG2 3.48Å; M68-T277 HydrophobicContact SD-CG2 3.96Å; G273-T277 PolarHBondContact O-N 3.46Å; G273-T277 PolarHBondContact O-OG1 3.1Å; G273-T277 VanDerWaalsContact O-OG1 3.07Å; H274-T277 WeakPolarHBondContact O-CB 3.32Å; H274-T277 PolarHBondContact O-N 2.87Å; T277-A279 PolarHBondContact O-N 2.99Å; T277-R280 PolarHBondContact O-N 3.12Å; T277-Q281 PolarHBondContact O-N 2.85Å
278L98.6Very high97.9Very high0 Ų034.1 Ų34.10%016%0.162CC..Hα-helixtrans-61.4-42.8179.3-174.564.4000111.5M68 P188 A262 A263 T264 H274 R280 Q281 Q282 F288M68-L278 HydrophobicContact CE-CD1 3.89Å; P188-L278 HydrophobicContact CB-CD1 3.99Å; P188-L278 WeakPolarHBondContact O-CD1 3.49Å; A262-L278 HydrophobicContact CB-CD1 4.07Å; A263-L278 WeakPolarHBondContact O-CD1 3.25Å; T264-L278 HydrophobicContact CG2-CB 3.91Å; T264-L278 HydrophobicContact CG2-CD2 3.94Å; T264-L278 HydrophobicContact CG2-CG 4.4Å; H274-L278 PolarHBondContact O-N 3.46Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3.44Å; L278-Q281 WeakPolarHBondContact O-CB 2.96Å; L278-Q281 PolarHBondContact O-N 2.94Å; L278-Q281 VanDerWaalsContact O-N 3.16Å; L278-Q282 WeakPolarHBondContact O-CG 3.39Å; L278-Q282 PolarHBondContact O-NE2 3.43Å; L278-F288 HydrophobicContact CB-CE2 3.9Å; L278-F288 HydrophobicContact CD2-CE2 3.83Å; L278-F288 HydrophobicContact CD2-CZ 4.36Å; L278-F288 HydrophobicContact CG-CE2 3.72Å; L278-F288 HydrophobicContact CG-CZ 4.16Å
279A98.6Very high98.1Very high0 Ų033.4 Ų33.40%015%0.154CC..Hα-helixtrans-60.4-39.5177.900000112.6A275 Q276 T277 Q281 Q282 F288 R362 T363 A364A275-A279 VanDerWaalsContact O-CB 3.28Å; A275-A279 WeakPolarHBondContact O-CB 3.02Å; A275-A279 PolarHBondContact O-N 3.28Å; Q276-A279 PolarHBondContact O-N 2.9Å; T277-A279 PolarHBondContact O-N 2.99Å; A279-Q281 VanDerWaalsContact C-N 3.26Å; A279-Q281 PolarHBondContact O-N 3.21Å; A279-Q282 PolarHBondContact O-N 3.16Å; A279-F288 HydrophobicContact CB-CD1 4.49Å; A279-F288 HydrophobicContact CB-CD2 3.73Å; A279-F288 HydrophobicContact CB-CE2 3.82Å; A279-F288 HydrophobicContact CB-CG 4.08Å; A279-F288 HydrophobicContact CB-CZ 4.24Å; A279-R362 WeakPolarHBondContact O-CA 3.41Å; A279-R362 VanDerWaalsContact O-CB 3.3Å; A279-R362 WeakPolarHBondContact O-CB 3.41Å; A279-T363 WeakPolarHBondContact CB-O 3.48Å; A279-A364 HydrophobicContact CB-CB 4.15Å
280R97.8Very high98.2Very high127 Ų12731.2 Ų31.248%0.47914%0.144SC..Hα-helixtrans-64-31.2177.3-74.4176.8-166.2126.2-0.2112.9Q276 T277 L278 Q282Q276-R280 VanDerWaalsContact O-CG 3.29Å; Q276-R280 WeakPolarHBondContact O-CG 3.26Å; Q276-R280 PolarHBondContact O-N 3.37Å; Q276-R280 VanDerWaalsContact O-N 3.07Å; T277-R280 PolarHBondContact O-N 3.12Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3.44Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 3.01Å
281Q97.2Very high98.3Very high66 Ų6634.4 Ų34.431%0.30816%0.159SC..Hα-helixtrans-75.6-17-178.1-166.959.429.100113.6M68 P188 D189 T277 L278 A279 R283M68-Q281 HydrophobicContact CG-CB 4.47Å; M68-Q281 HydrophobicContact CG-CG 3.81Å; M68-Q281 HydrophobicContact SD-CB 3.69Å; M68-Q281 HydrophobicContact SD-CG 3.68Å; P188-Q281 HydrophobicContact CG-CG 4.43Å; D189-Q281 HydrophobicContact CB-CG 4.29Å; D189-Q281 WeakPolarHBondContact CB-O 3.13Å; T277-Q281 PolarHBondContact O-N 2.85Å; L278-Q281 WeakPolarHBondContact O-CB 2.96Å; L278-Q281 PolarHBondContact O-N 2.94Å; L278-Q281 VanDerWaalsContact O-N 3.16Å; A279-Q281 VanDerWaalsContact C-N 3.26Å; A279-Q281 PolarHBondContact O-N 3.21Å; Q281-R283 PolarHBondContact O-N 2.95Å
282Q98.2Very high98.3Very high3 Ų335.6 Ų35.61%0.01417%0.165CC..  trans-66.1135.7-172.4-57-49.8-57.500112.6P188 A191 L278 A279 R280 V286 F288 R362P188-Q282 PolarHBondContact O-NE2 3.19Å; A191-Q282 HydrophobicContact CB-CG 4.17Å; L278-Q282 WeakPolarHBondContact O-CG 3.39Å; L278-Q282 PolarHBondContact O-NE2 3.43Å; A279-Q282 PolarHBondContact O-N 3.16Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 3.01Å; Q282-V286 HydrophobicContact CB-CG2 3.56Å; Q282-V286 HydrophobicContact CG-CG2 3.66Å; Q282-F288 HydrophobicContact CG-CE1 4.2Å; Q282-F288 HydrophobicContact CG-CZ 3.8Å; Q282-R362 WeakPolarHBondContact O-CD 3.5Å; Q282-R362 PolarHBondContact O-NE 3.44Å
283R96.6Very high98.3Very high154 Ų15434.2 Ų34.258%0.58116%0.158SC*.SBendtrans-67-42174.6-66.2-176.2-65.7-168.21.5111.2D189 N190 Q281 R362D189-R283 HydrophobicContact CB-CG 4.07Å; D189-R283 PolarHBondContact O-N 3.4Å; D189-R283 IonicContact OD1-CZ 3.98Å; D189-R283 IonicContact OD1-NE 3.4Å; D189-R283 PolarHBondContact OD1-NE 3.1Å; D189-R283 IonicContact OD1-NH2 2.76Å; D189-R283 WeakPolarHBondContact OD2-CD 3.42Å; D189-R283 IonicContact OD2-CZ 3.84Å; D189-R283 IonicContact OD2-NE 3.46Å; N190-R283 PolarHBondContact OD1-NH2 3.27Å; Q281-R283 PolarHBondContact O-N 2.95Å; R283-R362 PolarHBondContact O-NH2 2.74Å
284S97.2Very high98.3Very high41 Ų4133.9 Ų33.929%0.28715%0.154SC..SBendtrans-70.2152.9176.9-59.70000112.7A191 V286A191-S284 WeakPolarHBondContact O-CB 3.34Å; A191-S284 PolarHBondContact O-OG 3.36Å; S284-V286 PolarHBondContact O-N 3.36Å
285E98.1Very high98.3Very high124 Ų12433.4 Ų33.458%0.57915%0.152SC*.SBendtrans-75.376.3169.2-70.2-167.6147.400110.6K359 G360E285-K359 WeakPolarHBondContact O-CA 3.03Å; E285-G360 CarbonylContact C-O 3.46Å; E285-G360 WeakPolarHBondContact CA-O 3.11Å; E285-G360 WeakPolarHBondContact CB-O 3.47Å; E285-G360 PolarHBondContact O-N 3.44Å; E285-G360 VanDerWaalsContact O-O 3.11Å
286V98.7Very high98.3Very high0 Ų033.6 Ų33.60%015%0.153CC..EExtended strand (participates in β ladder)trans-119.3162.2-178.1-66.20000112.6A191 P193 Q282 S284 F288 V357 E358 R362A191-V286 HydrophobicContact CB-CG2 4.42Å; P193-V286 HydrophobicContact CG-CG1 3.86Å; Q282-V286 HydrophobicContact CB-CG2 3.56Å; Q282-V286 HydrophobicContact CG-CG2 3.66Å; S284-V286 PolarHBondContact O-N 3.36Å; V286-F288 HydrophobicContact CG2-CE1 4.18Å; V286-V357 HydrophobicContact CB-CG1 3.56Å; V286-V357 HydrophobicContact CG1-CG1 3.82Å; V286-V357 HydrophobicContact CG2-CG1 4.04Å; V286-E358 CarbonylContact C-O 3.41Å; V286-E358 WeakPolarHBondContact CA-O 3.43Å; V286-E358 WeakPolarHBondContact CB-O 3.26Å; V286-R362 WeakPolarHBondContact O-CA 3.32Å; V286-R362 PolarHBondContact O-N 3Å
287S98.8Very high98.3Very high12 Ų1232.1 Ų32.18%0.08415%0.15CC..EExtended strand (participates in β ladder)trans-144150.4170.9-67.20000111.1V357 E358 G360 N361 R362 T363S287-V357 WeakPolarHBondContact O-CA 3.47Å; S287-E358 PolarHBondContact N-O 2.68Å; S287-E358 PolarHBondContact O-N 3.04Å; S287-G360 WeakPolarHBondContact OG-CA 3.39Å; S287-N361 PolarHBondContact OG-N 2.76Å; S287-N361 PolarHBondContact OG-OD1 3.32Å; S287-R362 PolarHBondContact OG-N 3.35Å; S287-T363 CarbonylContact C-O 3.01Å; S287-T363 WeakPolarHBondContact CA-O 3.15Å; S287-T363 WeakPolarHBondContact CB-O 3.44Å; S287-T363 PolarHBondContact OG-N 3.28Å; S287-T363 PolarHBondContact OG-O 3.27Å; S287-T363 PolarHBondContact OG-OG1 3.31Å
288F98.9Very high98.3Very high1 Ų135.3 Ų35.30%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-102130.1-172.9-61.1-9.8000110.3A191 L197 A275 L278 A279 Q282 V286 V357 T363 A364 R365A191-F288 HydrophobicContact CB-CE1 4.2Å; A191-F288 HydrophobicContact CB-CZ 4.37Å; L197-F288 HydrophobicContact CD1-CB 3.86Å; L197-F288 HydrophobicContact CD1-CG 4.36Å; L197-F288 HydrophobicContact CD2-CD1 4.34Å; L197-F288 HydrophobicContact CD2-CD2 4.28Å; L197-F288 HydrophobicContact CD2-CG 4.14Å; A275-F288 WeakPolarHBondContact O-CD2 3.37Å; L278-F288 HydrophobicContact CB-CE2 3.9Å; L278-F288 HydrophobicContact CD2-CE2 3.83Å; L278-F288 HydrophobicContact CD2-CZ 4.36Å; L278-F288 HydrophobicContact CG-CE2 3.72Å; L278-F288 HydrophobicContact CG-CZ 4.16Å; A279-F288 HydrophobicContact CB-CD1 4.49Å; A279-F288 HydrophobicContact CB-CD2 3.73Å; A279-F288 HydrophobicContact CB-CE2 3.82Å; A279-F288 HydrophobicContact CB-CG 4.08Å; A279-F288 HydrophobicContact CB-CZ 4.24Å; Q282-F288 HydrophobicContact CG-CE1 4.2Å; Q282-F288 HydrophobicContact CG-CZ 3.8Å; V286-F288 HydrophobicContact CG2-CE1 4.18Å; F288-V357 HydrophobicContact CD1-CB 4.27Å; F288-V357 HydrophobicContact CD1-CG1 3.97Å; F288-V357 HydrophobicContact CD1-CG2 3.76Å; F288-V357 HydrophobicContact CE1-CB 4.42Å; F288-V357 HydrophobicContact CE1-CG1 3.87Å; F288-V357 HydrophobicContact CE1-CG2 3.79Å; F288-T363 PolarHBondContact N-O 3.47Å; F288-A364 HydrophobicContact CB-CB 3.81Å; F288-A364 HydrophobicContact CD2-CB 4.4Å; F288-A364 WeakPolarHBondContact O-CA 3.31Å; F288-R365 PolarHBondContact O-N 2.97Å
289V98.9Very high98.3Very high2 Ų235.3 Ų35.31%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-122.2107.8178.1-1730000109.7H291 G355 I356 E358 R365 I367V289-H291 VanDerWaalsContact CG1-CE1 3.44Å; V289-H291 WeakPolarHBondContact CG1-CE1 3.4Å; V289-H291 PolarHBondContact O-ND1 3.37Å; V289-G355 CarbonylContact O-C 3.5Å; V289-G355 WeakPolarHBondContact O-CA 3.43Å; V289-I356 HydrophobicContact CB-CG1 4.28Å; V289-I356 PolarHBondContact N-O 2.88Å; V289-I356 PolarHBondContact O-N 2.89Å; V289-E358 HydrophobicContact CG2-CG 4.37Å; V289-R365 WeakPolarHBondContact CA-O 3.41Å; V289-R365 HydrophobicContact CG1-CG 4.49Å; V289-R365 HydrophobicContact CG2-CG 4.32Å; V289-I367 HydrophobicContact CG1-CG2 3.74Å
290I98.9Very high98.2Very high0 Ų035.7 Ų35.70%017%0.166CC..EExtended strand (participates in β ladder)trans-88.3122.6177.6-60.5168000108.8L197 I271 A275 N292 L293 I354 R365 I366 I367L197-I290 HydrophobicContact CD1-CG1 3.98Å; I271-I290 HydrophobicContact CD1-CD1 4.38Å; I271-I290 HydrophobicContact CG1-CD1 3.9Å; A275-I290 HydrophobicContact CB-CD1 4.04Å; I290-N292 WeakPolarHBondContact CG2-O 3.5Å; I290-L293 HydrophobicContact CG2-CD2 3.77Å; I290-I354 HydrophobicContact CD1-CD1 4.43Å; I290-I354 HydrophobicContact CG1-CD1 4.25Å; I290-I354 HydrophobicContact CG2-CB 4.49Å; I290-I354 HydrophobicContact CG2-CD1 4.06Å; I290-R365 PolarHBondContact N-O 3.39Å; I290-I366 HydrophobicContact CB-CB 4.46Å; I290-I366 HydrophobicContact CB-CG1 3.85Å; I290-I366 HydrophobicContact CD1-CG1 4.01Å; I290-I366 HydrophobicContact CG1-CG1 4.5Å; I290-I366 HydrophobicContact CG2-CG1 4.11Å; I290-I366 WeakPolarHBondContact O-CA 3.33Å; I290-I367 PolarHBondContact O-N 3.26Å
291H98.8Very high98.2Very high68 Ų6831.9 Ų31.932%0.31516%0.161SC..EExtended strand (participates in β ladder)trans-102.5-31-174.6-70.778.4000112.9V289 I354 I367 P370 R371V289-H291 VanDerWaalsContact CG1-CE1 3.44Å; V289-H291 WeakPolarHBondContact CG1-CE1 3.4Å; V289-H291 PolarHBondContact O-ND1 3.37Å; H291-I354 PolarHBondContact N-O 3.42Å; H291-I367 HydrophobicContact CB-CD1 4.37Å; H291-I367 WeakPolarHBondContact O-CD1 3.49Å; H291-P370 WeakPolarHBondContact O-CA 3.23Å; H291-R371 PolarHBondContact O-N 2.85Å
292N98.4Very high98.2Very high27 Ų2728.7 Ų28.714%0.14415%0.146CC..EExtended strand (participates in β ladder)trans-142.3157.2-177.264.978.6000111.4I290 I353 I354 R371 I373I290-N292 WeakPolarHBondContact CG2-O 3.5Å; N292-I353 PolarHBondContact ND2-O 3.18Å; N292-I353 VanDerWaalsContact ND2-O 3.13Å; N292-I353 PolarHBondContact OD1-O 2.92Å; N292-I354 PolarHBondContact N-O 3.42Å; N292-I354 VanDerWaalsContact N-O 3.11Å; N292-I354 WeakPolarHBondContact O-CB 3.39Å; N292-I354 WeakPolarHBondContact OD1-CA 3.34Å; N292-R371 CarbonylContact C-O 3.57Å; N292-R371 WeakPolarHBondContact CA-O 3.43Å; N292-R371 HydrophobicContact CB-CB 3.96Å; N292-R371 WeakPolarHBondContact CB-O 3.46Å; N292-I373 HydrophobicContact CB-CD1 4.19Å; N292-I373 HydrophobicContact CB-CG1 4.4Å; N292-I373 WeakPolarHBondContact OD1-CD1 3.41Å
293L98.8Very high98.1Very high1 Ų128.7 Ų28.71%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-129.7112.4-176.2-62174000108.7L203 I271 I290 V295 I366 P370 R371 I372 I373L203-L293 HydrophobicContact CD1-CB 4.22Å; L203-L293 HydrophobicContact CD1-CD2 3.78Å; L203-L293 HydrophobicContact CD1-CG 4.49Å; I271-L293 HydrophobicContact CG2-CD2 4.26Å; I290-L293 HydrophobicContact CG2-CD2 3.77Å; L293-V295 HydrophobicContact CB-CG2 4.01Å; L293-V295 PolarHBondContact O-N 3.19Å; L293-I366 HydrophobicContact CD2-CD1 4.46Å; L293-P370 HydrophobicContact CD1-CB 4.17Å; L293-P370 HydrophobicContact CD1-CG 3.99Å; L293-P370 HydrophobicContact CG-CB 4.23Å; L293-R371 PolarHBondContact N-O 2.95Å; L293-I372 HydrophobicContact CB-CD1 4Å; L293-I372 HydrophobicContact CD1-CD1 4.15Å; L293-I372 HydrophobicContact CG-CD1 4.48Å; L293-I373 PolarHBondContact O-N 3.21Å
294P98.6Very high98.1Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-71.6118.5166.530.5-32.9000108.7L199 L203 W352 I354 I373 V375L199-P294 HydrophobicContact CD2-CG 3.76Å; L199-P294 HydrophobicContact CG-CG 4.48Å; L203-P294 WeakPolarHBondContact CB-O 3.46Å; L203-P294 PolarHBondContact N-O 3.15Å; P294-W352 HydrophobicContact CB-CB 4.39Å; P294-W352 HydrophobicContact CB-CD2 3.45Å; P294-W352 VanDerWaalsContact CB-CD2 3.45Å; P294-W352 HydrophobicContact CB-CE3 3.73Å; P294-W352 HydrophobicContact CB-CG 3.74Å; P294-W352 HydrophobicContact CB-CZ2 4.26Å; P294-W352 HydrophobicContact CB-CZ3 4.27Å; P294-W352 HydrophobicContact CG-CB 4.07Å; P294-W352 HydrophobicContact CG-CD2 3.73Å; P294-W352 HydrophobicContact CG-CE3 3.67Å; P294-W352 HydrophobicContact CG-CG 3.91Å; P294-W352 HydrophobicContact CG-CZ3 4.41Å; P294-I354 HydrophobicContact CG-CG2 4.11Å; P294-I373 WeakPolarHBondContact CA-O 3.41Å; P294-I373 HydrophobicContact CB-CB 4.49Å; P294-V375 HydrophobicContact CB-CG2 3.82Å
295V98.8Very high98Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-128135.9-173.9176.80000108.5L203 L293 A297 M299 A300 L312 I372 I373 V375L203-V295 HydrophobicContact CB-CG2 4.36Å; L203-V295 WeakPolarHBondContact O-CA 3.19Å; L293-V295 HydrophobicContact CB-CG2 4.01Å; L293-V295 PolarHBondContact O-N 3.19Å; V295-A297 PolarHBondContact O-N 2.75Å; V295-M299 HydrophobicContact CG1-CB 3.99Å; V295-A300 HydrophobicContact CG1-CB 4.14Å; V295-L312 HydrophobicContact CG1-CD2 3.7Å; V295-I372 HydrophobicContact CB-CG2 4.12Å; V295-I372 HydrophobicContact CG2-CG2 4.12Å; V295-I373 PolarHBondContact N-O 3.03Å; V295-V375 PolarHBondContact O-N 2.74Å
296L98.4Very high97.8Very high4 Ų425.2 Ų25.22%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-50133.3171.6-73.4172.5000110.1P202 L203 T205 A208 E239 A240 K298 M299P202-L296 HydrophobicContact CB-CD2 4.18Å; P202-L296 HydrophobicContact CB-CG 4.19Å; P202-L296 HydrophobicContact CG-CD2 3.67Å; P202-L296 HydrophobicContact CG-CG 4.06Å; L203-L296 PolarHBondContact O-N 3.14Å; T205-L296 HydrophobicContact CG2-CD1 4.43Å; A208-L296 HydrophobicContact CB-CD1 4.3Å; E239-L296 HydrophobicContact CB-CD2 3.95Å; A240-L296 HydrophobicContact CB-CD1 3.75Å; L296-K298 PolarHBondContact O-N 2.9Å; L296-M299 HydrophobicContact CB-CB 4.44Å; L296-M299 HydrophobicContact CB-CG 3.79Å; L296-M299 VanDerWaalsContact O-CB 3.29Å; L296-M299 WeakPolarHBondContact O-CB 3.45Å; L296-M299 WeakPolarHBondContact O-CG 3.41Å; L296-M299 PolarHBondContact O-N 2.96Å
297A97.7Very high97.4Very high24 Ų2427.3 Ų27.320%0.19816%0.163CC..THydrogen-bonded Turntrans-51.1140.9-170.700000112.2V295 M299 E374 V375V295-A297 PolarHBondContact O-N 2.75Å; A297-M299 PolarHBondContact O-N 3.34Å; A297-E374 WeakPolarHBondContact CA-OE2 3.39Å; A297-V375 WeakPolarHBondContact CB-O 3.4Å; A297-V375 PolarHBondContact N-O 2.9Å
298K97.8Very high96.9Very high88 Ų8833.8 Ų33.838%0.38320%0.196SC..THydrogen-bonded Turntrans68.9-19.1-177-47.1-67.7-171.4166.20115.8V228 D232 L296 A300 A301 V302 E374V228-K298 HydrophobicContact CG2-CB 4.14Å; V228-K298 HydrophobicContact CG2-CG 4.36Å; D232-K298 HydrophobicContact CB-CG 4.32Å; D232-K298 WeakPolarHBondContact OD2-CE 3.31Å; D232-K298 IonicContact OD2-NZ 3.96Å; L296-K298 PolarHBondContact O-N 2.9Å; K298-A300 VanDerWaalsContact C-N 3.28Å; K298-A300 PolarHBondContact O-N 3.42Å; K298-A301 WeakPolarHBondContact O-CB 3.49Å; K298-A301 PolarHBondContact O-N 3.16Å; K298-V302 WeakPolarHBondContact O-CG2 3.43Å; K298-V302 PolarHBondContact O-N 3.26Å; K298-E374 PolarHBondContact N-OE2 3.02Å
299M98.1Very high96.5Very high0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-66.7-29.2-173.3-63.2-57.69900113V207 A208 V211 A236 V295 L296 A297 V302 S303 L312V207-M299 HydrophobicContact CB-CB 4.19Å; V207-M299 HydrophobicContact CB-CG 4.43Å; V207-M299 HydrophobicContact CB-SD 4.01Å; V207-M299 HydrophobicContact CG1-CB 4.17Å; V207-M299 HydrophobicContact CG1-CG 4.46Å; V207-M299 HydrophobicContact CG1-SD 3.67Å; A208-M299 VanDerWaalsContact CA-SD 3.53Å; A208-M299 HydrophobicContact CB-CG 4.37Å; A208-M299 HydrophobicContact CB-SD 3.86Å; A208-M299 PolarHBondContact N-SD 2.85Å; V211-M299 HydrophobicContact CG2-CE 4.46Å; V211-M299 HydrophobicContact CG2-SD 4.3Å; A236-M299 HydrophobicContact CB-CE 3.69Å; A236-M299 HydrophobicContact CB-CG 4.49Å; A236-M299 HydrophobicContact CB-SD 4.15Å; V295-M299 HydrophobicContact CG1-CB 3.99Å; L296-M299 HydrophobicContact CB-CB 4.44Å; L296-M299 HydrophobicContact CB-CG 3.79Å; L296-M299 VanDerWaalsContact O-CB 3.29Å; L296-M299 WeakPolarHBondContact O-CB 3.45Å; L296-M299 WeakPolarHBondContact O-CG 3.41Å; L296-M299 PolarHBondContact O-N 2.96Å; A297-M299 PolarHBondContact O-N 3.34Å; M299-V302 HydrophobicContact CE-CG2 4.17Å; M299-S303 VanDerWaalsContact O-CB 3.26Å; M299-S303 WeakPolarHBondContact O-CB 3.36Å; M299-S303 PolarHBondContact O-N 3.32Å; M299-L312 HydrophobicContact CB-CD2 4.22Å
300A97.6Very high96.3Very high8 Ų837.5 Ų37.57%0.06622%0.215CC..Hα-helixtrans-62.9-44.2171.100000112.1V295 K298 S303 K304 M313 I372V295-A300 HydrophobicContact CG1-CB 4.14Å; K298-A300 VanDerWaalsContact C-N 3.28Å; K298-A300 PolarHBondContact O-N 3.42Å; A300-S303 PolarHBondContact O-N 2.97Å; A300-K304 WeakPolarHBondContact O-CB 3.35Å; A300-K304 PolarHBondContact O-N 3.36Å; A300-M313 HydrophobicContact CB-CE 3.96Å; A300-M313 HydrophobicContact CB-SD 3.74Å; A300-I372 HydrophobicContact CB-CG2 4Å
301A97.4Very high96.1Very high46 Ų4637.9 Ų37.938%0.3822%0.218SC..Hα-helixtrans-66.1-42.717800000111.7V227 K298 K304 A305V227-A301 HydrophobicContact CG1-CB 3.98Å; K298-A301 WeakPolarHBondContact O-CB 3.49Å; K298-A301 PolarHBondContact O-N 3.16Å; A301-K304 PolarHBondContact O-N 3.02Å; A301-A305 WeakPolarHBondContact O-CB 3.17Å; A301-A305 PolarHBondContact O-N 3.48Å
302V97.3Very high95.9Very high0 Ų034.7 Ų34.70%020%0.204CC..Hα-helixtrans-62.8-46.3175.9174.20000111.2V207 V211 I224 V227 V228 K298 M299 K304 A305 C306V207-V302 HydrophobicContact CG1-CB 4.04Å; V207-V302 HydrophobicContact CG1-CG1 3.68Å; V211-V302 HydrophobicContact CG1-CG1 3.5Å; V211-V302 VanDerWaalsContact CG1-CG1 3.5Å; I224-V302 HydrophobicContact CG2-CG1 4.16Å; V227-V302 HydrophobicContact CG1-CG2 4.25Å; V228-V302 HydrophobicContact CB-CG2 3.98Å; V228-V302 HydrophobicContact CG1-CG2 3.93Å; V228-V302 HydrophobicContact CG2-CG2 4.4Å; K298-V302 WeakPolarHBondContact O-CG2 3.43Å; K298-V302 PolarHBondContact O-N 3.26Å; M299-V302 HydrophobicContact CE-CG2 4.17Å; V302-K304 VanDerWaalsContact C-N 3.33Å; V302-K304 PolarHBondContact O-N 2.95Å; V302-A305 PolarHBondContact O-N 2.96Å; V302-C306 PolarHBondContact O-N 3.06Å; V302-C306 VanDerWaalsContact O-N 3.12Å; V302-C306 PolarHBondContact O-SG 3.35Å
303S96.6Very high95.8Very high3 Ų335.7 Ų35.72%0.02121%0.208CC..Hα-helixtrans-56.4-48.7176.2-172.50000111.1M299 A300 A305 C306 G307 F310 L312M299-S303 VanDerWaalsContact O-CB 3.26Å; M299-S303 WeakPolarHBondContact O-CB 3.36Å; M299-S303 PolarHBondContact O-N 3.32Å; A300-S303 PolarHBondContact O-N 2.97Å; S303-A305 PolarHBondContact O-N 3.3Å; S303-C306 PolarHBondContact O-N 3.49Å; S303-C306 VanDerWaalsContact O-N 3.09Å; S303-G307 PolarHBondContact O-N 2.65Å; S303-F310 WeakPolarHBondContact OG-CB 3.48Å; S303-L312 VanDerWaalsContact OG-CB 3.27Å; S303-L312 WeakPolarHBondContact OG-CB 3.24Å; S303-L312 PolarHBondContact OG-N 3.3Å
304K95.8Very high95.6Very high168 Ų16841.4 Ų41.473%0.7324%0.235SC*.Hα-helixtrans-61-40.9177.9-173.3177.9-179.3-179.20112.7A300 A301 V302 C306 G307A300-K304 WeakPolarHBondContact O-CB 3.35Å; A300-K304 PolarHBondContact O-N 3.36Å; A301-K304 PolarHBondContact O-N 3.02Å; V302-K304 VanDerWaalsContact C-N 3.33Å; V302-K304 PolarHBondContact O-N 2.95Å; K304-C306 PolarHBondContact O-N 2.94Å; K304-G307 PolarHBondContact O-N 3.48Å; K304-G307 VanDerWaalsContact O-N 3.12Å
305A95.5Very high95.6Very high53 Ų5341.5 Ų41.544%0.43824%0.235SC..Hα-helixtrans-65.1-2517700000113.1V227 A301 V302 S303 G307V227-A305 HydrophobicContact CG1-CB 4.35Å; V227-A305 HydrophobicContact CG2-CB 3.64Å; A301-A305 WeakPolarHBondContact O-CB 3.17Å; A301-A305 PolarHBondContact O-N 3.48Å; V302-A305 PolarHBondContact O-N 2.96Å; S303-A305 PolarHBondContact O-N 3.3Å; A305-G307 VanDerWaalsContact C-N 3.31Å
306C93.3Very high95.5Very high24 Ų2445.4 Ų45.416%0.16226%0.259CS..THydrogen-bonded Turntrans-89.78.1175.8-59.30000113.5V302 S303 K304 N308 M309 F310V302-C306 PolarHBondContact O-N 3.06Å; V302-C306 VanDerWaalsContact O-N 3.12Å; V302-C306 PolarHBondContact O-SG 3.35Å; S303-C306 PolarHBondContact O-N 3.49Å; S303-C306 VanDerWaalsContact O-N 3.09Å; K304-C306 PolarHBondContact O-N 2.94Å; C306-N308 PolarHBondContact O-N 3.2Å; C306-M309 HydrophobicContact CB-CB 4.03Å; C306-M309 HydrophobicContact CB-SD 4.47Å; C306-M309 WeakPolarHBondContact O-CB 3.37Å; C306-M309 PolarHBondContact O-N 3.01Å; C306-F310 HydrophobicContact CB-CD2 3.98Å; C306-F310 HydrophobicContact CB-CE2 3.97Å
307G91.8Very high95.4Very high44 Ų4445.3 Ų45.345%0.45426%0.259SS..G310 helixtrans60.3-127.6-177.500000112S303 K304 A305 M309S303-G307 PolarHBondContact O-N 2.65Å; K304-G307 PolarHBondContact O-N 3.48Å; K304-G307 VanDerWaalsContact O-N 3.12Å; A305-G307 VanDerWaalsContact C-N 3.31Å; G307-M309 VanDerWaalsContact C-N 3.29Å; G307-M309 PolarHBondContact O-N 3.37Å
308N88.2Confident95.3Very high148 Ų14844.3 Ų44.379%0.79125%0.251SS*.G310 helixtrans-86.58-175.7-64-17.2000114.2C306 F310C306-N308 PolarHBondContact O-N 3.2Å; N308-F310 VanDerWaalsContact C-N 3.31Å; N308-F310 PolarHBondContact O-N 3.18Å
309M90.9Very high95.3Very high76 Ų7640.3 Ų40.337%0.37423%0.233SC..G310 helixtrans-60.5-39.3-174.4-176.7178.6-63.700113.3W214 C306 G307W214-M309 HydrophobicContact CH2-CE 4.28Å; W214-M309 HydrophobicContact CH2-SD 3.47Å; W214-M309 WeakPolarHBondContact CH2-SD 3.29Å; W214-M309 HydrophobicContact CZ2-SD 3.53Å; W214-M309 VanDerWaalsContact CZ2-SD 3.53Å; C306-M309 HydrophobicContact CB-CB 4.03Å; C306-M309 HydrophobicContact CB-SD 4.47Å; C306-M309 WeakPolarHBondContact O-CB 3.37Å; C306-M309 PolarHBondContact O-N 3.01Å; G307-M309 VanDerWaalsContact C-N 3.29Å; G307-M309 PolarHBondContact O-N 3.37Å
310F93.4Very high95.3Very high6 Ų641 Ų413%0.02624%0.238CC..THydrogen-bonded Turntrans-108.4-39.3-175.6-65.3-73.3000112.8Q206 V207 A210 W214 S303 C306 N308 L312 C317Q206-F310 HydrophobicContact CG-CD1 4.44Å; V207-F310 HydrophobicContact CG1-CE2 4.33Å; V207-F310 HydrophobicContact CG1-CZ 4.49Å; V207-F310 HydrophobicContact CG2-CB 4.02Å; V207-F310 HydrophobicContact CG2-CD1 3.87Å; V207-F310 HydrophobicContact CG2-CD2 4.19Å; V207-F310 HydrophobicContact CG2-CE1 4.34Å; V207-F310 HydrophobicContact CG2-CG 3.78Å; A210-F310 HydrophobicContact CB-CE1 3.78Å; A210-F310 HydrophobicContact CB-CZ 3.87Å; W214-F310 AromaticContact CH2-CE2 3.84Å; W214-F310 HydrophobicContact CH2-CE2 3.84Å; W214-F310 AromaticContact CH2-CZ 3.85Å; W214-F310 HydrophobicContact CH2-CZ 3.85Å; W214-F310 HydrophobicContact CZ2-CE2 4.3Å; W214-F310 AromaticContact CZ2-CZ 3.84Å; W214-F310 HydrophobicContact CZ2-CZ 3.84Å; S303-F310 WeakPolarHBondContact OG-CB 3.48Å; C306-F310 HydrophobicContact CB-CD2 3.98Å; C306-F310 HydrophobicContact CB-CE2 3.97Å; N308-F310 VanDerWaalsContact C-N 3.31Å; N308-F310 PolarHBondContact O-N 3.18Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 3.42Å; F310-C317 WeakPolarHBondContact O-CA 3.36Å; F310-C317 WeakPolarHBondContact O-CB 3.43Å; F310-C317 PolarHBondContact O-N 3.43Å; F310-C317 PolarHBondContact O-SG 3.22Å
311G94.2Very high95.4Very high7 Ų740.7 Ų40.77%0.07224%0.235CC..  trans69.424.3-17800000114.7M313 H314 G315 T316G311-M313 VanDerWaalsContact C-N 3.29Å; G311-M313 PolarHBondContact O-N 3.39Å; G311-H314 CarbonylContact O-C 3.59Å; G311-H314 PolarHBondContact O-N 2.65Å; G311-G315 PolarHBondContact O-N 2.99Å; G311-T316 PolarHBondContact O-N 3.39Å; G311-T316 PolarHBondContact O-OG1 2.99Å
312L96.1Very high95.4Very high2 Ų238.7 Ų38.71%0.0122%0.219CC..G310 helixtrans-58.4-41.1-175.9-175.858.1000112.2L203 V207 V295 M299 S303 F310 H314 G315 C317L203-L312 HydrophobicContact CB-CD1 4.15Å; V207-L312 HydrophobicContact CG2-CD2 3.99Å; V295-L312 HydrophobicContact CG1-CD2 3.7Å; M299-L312 HydrophobicContact CB-CD2 4.22Å; S303-L312 VanDerWaalsContact OG-CB 3.27Å; S303-L312 WeakPolarHBondContact OG-CB 3.24Å; S303-L312 PolarHBondContact OG-N 3.3Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 3.42Å; L312-H314 PolarHBondContact O-N 3.19Å; L312-G315 PolarHBondContact O-N 2.98Å; L312-G315 VanDerWaalsContact O-N 3.14Å; L312-C317 HydrophobicContact CB-CB 4.04Å; L312-C317 HydrophobicContact CD1-CB 3.97Å
313M94.7Very high95.5Very high47 Ų4738.8 Ų38.823%0.23222%0.22CC..G310 helixtrans-70.8-19.4-179.8-43.8-41.8-58.200113.2A300 G311 I372A300-M313 HydrophobicContact CB-CE 3.96Å; A300-M313 HydrophobicContact CB-SD 3.74Å; G311-M313 VanDerWaalsContact C-N 3.29Å; G311-M313 PolarHBondContact O-N 3.39Å; M313-I372 HydrophobicContact CE-CD1 3.09Å; M313-I372 HydrophobicContact CE-CG1 3.39Å
314H96.1Very high95.6Very high122 Ų12238.7 Ų38.757%0.56522%0.219SC*.G310 helixtrans-95.8-0.9177.2-60.5-65.4000112.2L272 G311 L312 T316L272-H314 WeakPolarHBondContact CD2-O 3.46Å; G311-H314 CarbonylContact O-C 3.59Å; G311-H314 PolarHBondContact O-N 2.65Å; L312-H314 PolarHBondContact O-N 3.19Å; H314-T316 PolarHBondContact O-N 2.72Å
315G97.3Very high95.8Very high2 Ų230.7 Ų30.72%0.02118%0.184CC..THydrogen-bonded Turntrans71.713.7179.700000115.2G270 I271 L272 G311 L312G270-G315 CarbonylContact C-O 3.45Å; I271-G315 PolarHBondContact N-O 3.08Å; I271-G315 VanDerWaalsContact N-O 3.17Å; L272-G315 WeakPolarHBondContact CB-O 3.15Å; L272-G315 PolarHBondContact N-O 3.45Å; G311-G315 PolarHBondContact O-N 2.99Å; L312-G315 PolarHBondContact O-N 2.98Å; L312-G315 VanDerWaalsContact O-N 3.14Å
316T96.6Very high95.9Very high81 Ų8128.1 Ų28.150%0.49716%0.163SC..  trans-101.61.3-179.261.80000112.7G311 H314G311-T316 PolarHBondContact O-N 3.39Å; G311-T316 PolarHBondContact O-OG1 2.99Å; H314-T316 PolarHBondContact O-N 2.72Å
317C96.6Very high96.2Very high2 Ų227 Ų271%0.01416%0.155CC..SBendtrans-71.7131.3175.6-165.30000109.3G270 F310 L312G270-C317 WeakPolarHBondContact CA-O 3.21Å; F310-C317 WeakPolarHBondContact O-CA 3.36Å; F310-C317 WeakPolarHBondContact O-CB 3.43Å; F310-C317 PolarHBondContact O-N 3.43Å; F310-C317 PolarHBondContact O-SG 3.22Å; L312-C317 HydrophobicContact CB-CB 4.04Å; L312-C317 HydrophobicContact CD1-CB 3.97Å
318P96.8Very high96.5Very high4 Ų424.9 Ų24.93%0.02613%0.134CC..  trans-57.8145.9174.1-20.128.3000111.4T29 Q206T29-P318 VanDerWaalsContact O-CG 3.25Å; T29-P318 WeakPolarHBondContact O-CG 3.45Å; Q206-P318 HydrophobicContact CB-CB 4.43Å; Q206-P318 WeakPolarHBondContact CB-O 3.21Å; Q206-P318 HydrophobicContact CG-CB 4.34Å; Q206-P318 HydrophobicContact CG-CG 4.34Å
319E98.2Very high97Very high4 Ų418.2 Ų18.22%0.01910%0.098CC..  trans-115.8162.8162-55.5-62.4156.800108.1L203 G204 T205 I266 T267 G268L203-E319 HydrophobicContact CD2-CG 4.01Å; G204-E319 VanDerWaalsContact N-CD 3.32Å; G204-E319 PolarHBondContact N-OE1 2.88Å; G204-E319 PolarHBondContact N-OE2 2.64Å; T205-E319 PolarHBondContact N-OE2 3.33Å; T205-E319 PolarHBondContact OG1-OE2 2.86Å; T205-E319 VanDerWaalsContact OG1-OE2 3.08Å; I266-E319 HydrophobicContact CG2-CB 4.16Å; I266-E319 HydrophobicContact CG2-CG 3.73Å; I266-E319 WeakPolarHBondContact O-CB 3.49Å; T267-E319 CarbonylContact C-O 3.56Å; T267-E319 WeakPolarHBondContact CA-O 3.47Å; T267-E319 PolarHBondContact O-N 3.47Å; T267-E319 VanDerWaalsContact O-O 3.13Å; G268-E319 PolarHBondContact N-O 2.87Å
320T98.2Very high97.4Very high15 Ų1521.6 Ų21.69%0.09211%0.107CC..SBendtrans-129.4131.3171.1-60.30000107.4I89 I92 I102 T205 M244 G322I89-T320 HydrophobicContact CD1-CG2 3.7Å; I89-T320 HydrophobicContact CG2-CG2 4.34Å; I92-T320 HydrophobicContact CD1-CG2 3.59Å; I102-T320 HydrophobicContact CG2-CG2 4.13Å; T205-T320 PolarHBondContact OG1-N 3.44Å; M244-T320 WeakPolarHBondContact CG-O 3.29Å; M244-T320 HydrophobicContact SD-CG2 4.48Å; T320-G322 PolarHBondContact O-N 3.04Å
321S98.4Very high97.6Very high1 Ų128.1 Ų28.11%0.00714%0.137CC..SBendtrans4548.8-175.9-167.80000112.6N106 K201 M244N106-S321 PolarHBondContact N-OG 2.88Å; N106-S321 PolarHBondContact OD1-N 2.91Å; K201-S321 PolarHBondContact NZ-O 3.02Å; M244-S321 WeakPolarHBondContact O-CB 3.45Å; M244-S321 PolarHBondContact O-OG 3.42Å
322G98.7Very high97.8Very high4 Ų429.8 Ų29.84%0.04114%0.143CC..  trans-72.6-166.2-179.800000112.5K201 N248 I266 T320K201-G322 VanDerWaalsContact CD-C 3.47Å; K201-G322 WeakPolarHBondContact CD-O 3.49Å; K201-G322 VanDerWaalsContact CE-O 3.29Å; K201-G322 WeakPolarHBondContact CE-O 3.48Å; K201-G322 PolarHBondContact NZ-O 3.1Å; N248-G322 PolarHBondContact ND2-O 3.01Å; I266-G322 WeakPolarHBondContact O-CA 3.31Å; I266-G322 PolarHBondContact O-N 3.08Å; T320-G322 PolarHBondContact O-N 3.04Å
323G98.7Very high97.8Very high2 Ų229.8 Ų29.82%0.02114%0.144CC..  trans-88.1170.9-179.800000111.8T200 K201 D265 I266T200-G323 WeakPolarHBondContact OG1-CA 3.22Å; K201-G323 VanDerWaalsContact CG-CA 3.46Å; D265-G323 WeakPolarHBondContact CA-O 3.5Å; I266-G323 PolarHBondContact N-O 3.29Å
324L98.9Very high97.9Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-75.7136.9167.3-56-172.2000109.6Y112 A113 L199 T200 N248 A251 M255 T264 D265 I326Y112-L324 WeakPolarHBondContact O-CD1 3.48Å; A113-L324 HydrophobicContact CB-CD2 4.05Å; L199-L324 WeakPolarHBondContact CA-O 3.28Å; T200-L324 HydrophobicContact CG2-CB 4.3Å; T200-L324 PolarHBondContact N-O 3.27Å; T200-L324 VanDerWaalsContact N-O 3.12Å; T200-L324 PolarHBondContact OG1-N 3Å; N248-L324 HydrophobicContact CB-CD1 4.29Å; N248-L324 HydrophobicContact CB-CD2 3.96Å; N248-L324 HydrophobicContact CB-CG 3.92Å; A251-L324 HydrophobicContact CB-CD1 3.74Å; A251-L324 HydrophobicContact CB-CG 4.26Å; M255-L324 HydrophobicContact CE-CD1 4.03Å; M255-L324 HydrophobicContact SD-CD1 4.19Å; T264-L324 CarbonylContact O-C 3.59Å; T264-L324 WeakPolarHBondContact O-CA 3.3Å; D265-L324 HydrophobicContact CB-CD2 3.81Å; L324-I326 HydrophobicContact CB-CD1 3.94Å; L324-I326 HydrophobicContact CB-CG1 3.68Å; L324-I326 HydrophobicContact CD1-CD1 4.42Å
325L98.9Very high98Very high0 Ų031.9 Ų31.90%016%0.158CC..EExtended strand (participates in β ladder)trans-98.6111.5162.6174.465.4000108.4L197 I198 A263 T264 I266 I271 A275 I354L197-L325 HydrophobicContact CB-CD1 4.05Å; I198-L325 CarbonylContact O-C 3.03Å; I198-L325 VanDerWaalsContact O-CA 3.25Å; I198-L325 WeakPolarHBondContact O-CA 3.5Å; A263-L325 WeakPolarHBondContact CA-O 3.34Å; T264-L325 HydrophobicContact CG2-CB 4.1Å; T264-L325 HydrophobicContact CG2-CD2 4.31Å; T264-L325 PolarHBondContact N-O 2.98Å; T264-L325 VanDerWaalsContact N-O 3.08Å; T264-L325 PolarHBondContact O-N 3.14Å; I266-L325 HydrophobicContact CD1-CB 3.72Å; I266-L325 HydrophobicContact CD1-CD2 4.14Å; I266-L325 HydrophobicContact CG1-CB 4.19Å; I271-L325 HydrophobicContact CD1-CD1 4.4Å; I271-L325 HydrophobicContact CD1-CD2 4.16Å; A275-L325 HydrophobicContact CB-CD2 3.67Å; L325-I354 HydrophobicContact CD1-CD1 3.81Å; L325-I354 HydrophobicContact CD1-CG1 4.36Å
326I98.9Very high98.1Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-118.8129.4-167.4-47.8168000109.8L197 I198 T200 M255 A260 A263 L324 L328 F336L197-I326 CarbonylContact C-O 3.4Å; L197-I326 WeakPolarHBondContact CA-O 3.3Å; I198-I326 HydrophobicContact CB-CB 4.28Å; I198-I326 PolarHBondContact N-O 3.01Å; I198-I326 PolarHBondContact O-N 3.49Å; T200-I326 HydrophobicContact CG2-CD1 3.85Å; M255-I326 HydrophobicContact CG-CD1 3.88Å; M255-I326 HydrophobicContact CG-CG1 4.39Å; M255-I326 HydrophobicContact CG-CG2 4.07Å; M255-I326 HydrophobicContact SD-CB 4.41Å; M255-I326 HydrophobicContact SD-CD1 3.94Å; M255-I326 HydrophobicContact SD-CG1 3.83Å; M255-I326 HydrophobicContact SD-CG2 3.73Å; A260-I326 HydrophobicContact CB-CG2 3.62Å; A263-I326 HydrophobicContact CB-CB 4.39Å; A263-I326 HydrophobicContact CB-CG1 4.12Å; A263-I326 HydrophobicContact CB-CG2 4.33Å; L324-I326 HydrophobicContact CB-CD1 3.94Å; L324-I326 HydrophobicContact CB-CG1 3.68Å; L324-I326 HydrophobicContact CD1-CD1 4.42Å; I326-L328 HydrophobicContact CB-CD1 4.42Å; I326-L328 HydrophobicContact CG2-CD1 3.89Å; I326-L328 HydrophobicContact CG2-CG 3.81Å; I326-F336 HydrophobicContact CD1-CE1 4.07Å; I326-F336 HydrophobicContact CD1-CE2 4.05Å; I326-F336 HydrophobicContact CD1-CZ 3.46Å; I326-F336 VanDerWaalsContact CD1-CZ 3.46Å
327C98.9Very high98.1Very high0 Ų029 Ų290%014%0.14CC..EExtended strand (participates in β ladder)trans-84115.9165.1-61.30000108.9A191 H261 A262A191-C327 HydrophobicContact CB-CB 3.89Å; H261-C327 HydrophobicContact CB-CB 4.41Å; H261-C327 PolarHBondContact N-O 2.9Å; A262-C327 HydrophobicContact CB-CB 4.18Å; A262-C327 PolarHBondContact O-N 3.4Å
328L98.6Very high98.1Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-126.9147.5-178.4-92.1160.3000111.2D195 V196 I198 F258 A260 I326 R330 F336D195-L328 WeakPolarHBondContact CA-O 3.33Å; D195-L328 WeakPolarHBondContact CB-O 3.44Å; V196-L328 PolarHBondContact N-O 2.86Å; V196-L328 PolarHBondContact O-N 2.83Å; I198-L328 HydrophobicContact CB-CD1 4.48Å; I198-L328 HydrophobicContact CG1-CB 4.38Å; I198-L328 HydrophobicContact CG1-CD1 3.7Å; F258-L328 HydrophobicContact CB-CD2 3.91Å; F258-L328 WeakPolarHBondContact O-CD2 3.26Å; A260-L328 HydrophobicContact CB-CD2 3.95Å; A260-L328 HydrophobicContact CB-CG 4.2Å; I326-L328 HydrophobicContact CB-CD1 4.42Å; I326-L328 HydrophobicContact CG2-CD1 3.89Å; I326-L328 HydrophobicContact CG2-CG 3.81Å; L328-R330 PolarHBondContact O-N 3.05Å; L328-F336 HydrophobicContact CD1-CB 3.97Å; L328-F336 HydrophobicContact CD1-CD1 4.09Å; L328-F336 HydrophobicContact CD1-CD2 3.74Å; L328-F336 HydrophobicContact CD1-CE2 4.26Å; L328-F336 HydrophobicContact CD1-CG 3.65Å
329P98.7Very high98.1Very high8 Ų834 Ų345%0.05217%0.174CC..  trans-53.9135.6167.3-22.531.5000110.5N259 E331 Q332 A333N259-P329 VanDerWaalsContact O-CD 3.22Å; N259-P329 WeakPolarHBondContact O-CD 3.41Å; P329-E331 WeakPolarHBondContact CB-OE1 3.47Å; P329-E331 PolarHBondContact O-N 3.3Å; P329-Q332 HydrophobicContact CB-CB 4.4Å; P329-Q332 HydrophobicContact CB-CG 4.09Å; P329-Q332 HydrophobicContact CG-CG 4.36Å; P329-Q332 PolarHBondContact O-N 2.89Å; P329-A333 PolarHBondContact O-N 2.69Å; P329-A333 VanDerWaalsContact O-N 3.1Å
330R98Very high98Very high146 Ų14634.7 Ų34.755%0.55118%0.178SC*.Hα-helixtrans-56.4-39-173.5-178.4176-62.8-157-2.8112.7G194 V196 L328 Q332G194-R330 PolarHBondContact O-NE 3.07Å; G194-R330 PolarHBondContact O-NH2 3.39Å; V196-R330 HydrophobicContact CG1-CB 4.18Å; V196-R330 HydrophobicContact CG1-CG 4.09Å; L328-R330 PolarHBondContact O-N 3.05Å; R330-Q332 VanDerWaalsContact C-N 3.26Å; R330-Q332 PolarHBondContact O-N 3.1Å
331E97.6Very high97.8Very high143 Ų14339.5 Ų39.567%0.66820%0.197SC*.Hα-helixtrans-69.2-22.1179.664.3-81.1-170.100113.3P329P329-E331 WeakPolarHBondContact CB-OE1 3.47Å; P329-E331 PolarHBondContact O-N 3.3Å
332Q98.3Very high97.5Very high42 Ų4240.8 Ų40.820%0.19621%0.206CC..Hα-helixtrans-94.8-25.4178.9-59.3-67.846.900113F258 P329 R330 A334 R335 F336F258-Q332 HydrophobicContact CB-CB 4.22Å; F258-Q332 HydrophobicContact CD1-CB 4.37Å; F258-Q332 WeakPolarHBondContact O-CB 3.44Å; P329-Q332 HydrophobicContact CB-CB 4.4Å; P329-Q332 HydrophobicContact CB-CG 4.09Å; P329-Q332 HydrophobicContact CG-CG 4.36Å; P329-Q332 PolarHBondContact O-N 2.89Å; R330-Q332 VanDerWaalsContact C-N 3.26Å; R330-Q332 PolarHBondContact O-N 3.1Å; Q332-A334 PolarHBondContact O-N 3.26Å; Q332-R335 WeakPolarHBondContact O-CB 3.37Å; Q332-R335 PolarHBondContact O-N 2.88Å; Q332-F336 PolarHBondContact O-N 3.39Å
333A96.9Very high96.7Very high2 Ų246 Ų462%0.01724%0.239CC..Hα-helixtrans-50.1-49.7-174.800000114.6V196 I198 P329 R335 F336 C337 I353V196-A333 HydrophobicContact CG2-CB 3.3Å; I198-A333 HydrophobicContact CD1-CB 4.07Å; P329-A333 PolarHBondContact O-N 2.69Å; P329-A333 VanDerWaalsContact O-N 3.1Å; A333-R335 VanDerWaalsContact C-N 3.3Å; A333-R335 PolarHBondContact O-N 3.44Å; A333-F336 PolarHBondContact O-N 3.32Å; A333-C337 PolarHBondContact O-N 3.03Å; A333-C337 PolarHBondContact O-SG 2.96Å; A333-C337 VanDerWaalsContact O-SG 3.36Å; A333-I353 HydrophobicContact CB-CD1 4.06Å; A333-I353 HydrophobicContact CB-CG1 4.27Å
334A97.1Very high95.9Very high66 Ų6652.3 Ų52.355%0.54527%0.266SS..Hα-helixtrans-65.1-35.5-179.600000112.2Q332 A338Q332-A334 PolarHBondContact O-N 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.28Å; A334-A338 PolarHBondContact O-N 3.48Å
335R97.8Very high94.7Very high148 Ų14857.2 Ų57.256%0.55829%0.286SS*.Hα-helixtrans-71.7-41.2178.1-62173.863.6-163.13111.1F258 Q332 A333 A338 E339F258-R335 HydrophobicContact CD1-CB 4.04Å; F258-R335 HydrophobicContact CE1-CB 3.44Å; F258-R335 VanDerWaalsContact CE1-CB 3.44Å; F258-R335 HydrophobicContact CZ-CB 4.09Å; Q332-R335 WeakPolarHBondContact O-CB 3.37Å; Q332-R335 PolarHBondContact O-N 2.88Å; A333-R335 VanDerWaalsContact C-N 3.3Å; A333-R335 PolarHBondContact O-N 3.44Å; R335-A338 PolarHBondContact O-N 3.48Å; R335-E339 WeakPolarHBondContact O-CB 3.21Å; R335-E339 PolarHBondContact O-N 3.25Å
336F98.2Very high93.6Very high0 Ų059.5 Ų59.50%031%0.309CS..Hα-helixtrans-56.1-51.2171.2177.9-81.3000111I198 T200 L254 F258 I326 L328 Q332 A333 A338 E339 I340 A351I198-F336 HydrophobicContact CG2-CD1 4.04Å; I198-F336 HydrophobicContact CG2-CE1 3.86Å; T200-F336 HydrophobicContact CG2-CE1 4.14Å; T200-F336 HydrophobicContact CG2-CZ 4.27Å; L254-F336 HydrophobicContact CB-CD2 3.81Å; L254-F336 HydrophobicContact CB-CE2 3.45Å; L254-F336 VanDerWaalsContact CB-CE2 3.45Å; L254-F336 HydrophobicContact CB-CZ 4.29Å; F258-F336 HydrophobicContact CB-CB 4.19Å; F258-F336 HydrophobicContact CB-CD2 4.14Å; F258-F336 HydrophobicContact CD2-CB 3.87Å; F258-F336 AromaticContact CD2-CD2 3.75Å; F258-F336 HydrophobicContact CD2-CD2 3.75Å; F258-F336 HydrophobicContact CD2-CG 4.25Å; F258-F336 HydrophobicContact CE2-CB 4.39Å; F258-F336 HydrophobicContact CG-CB 3.95Å; F258-F336 HydrophobicContact CG-CD2 4.27Å; I326-F336 HydrophobicContact CD1-CE1 4.07Å; I326-F336 HydrophobicContact CD1-CE2 4.05Å; I326-F336 HydrophobicContact CD1-CZ 3.46Å; I326-F336 VanDerWaalsContact CD1-CZ 3.46Å; L328-F336 HydrophobicContact CD1-CB 3.97Å; L328-F336 HydrophobicContact CD1-CD1 4.09Å; L328-F336 HydrophobicContact CD1-CD2 3.74Å; L328-F336 HydrophobicContact CD1-CE2 4.26Å; L328-F336 HydrophobicContact CD1-CG 3.65Å; Q332-F336 PolarHBondContact O-N 3.39Å; A333-F336 PolarHBondContact O-N 3.32Å; F336-A338 VanDerWaalsContact C-N 3.3Å; F336-A338 PolarHBondContact O-N 3.37Å; F336-E339 PolarHBondContact O-N 3.13Å; F336-I340 HydrophobicContact CD1-CG2 4.44Å; F336-I340 HydrophobicContact CE1-CB 4.49Å; F336-I340 HydrophobicContact CE1-CD1 4.02Å; F336-I340 HydrophobicContact CE1-CG2 4.25Å; F336-I340 HydrophobicContact CZ-CD1 4.01Å; F336-I340 WeakPolarHBondContact O-CG2 3.35Å; F336-I340 PolarHBondContact O-N 3.01Å; F336-A351 HydrophobicContact CE1-CB 4.33Å
337C97.7Very high92.6Very high21 Ų2166.8 Ų66.814%0.14234%0.343CS..Hα-helixtrans-62.9-33.9179.8-67.70000113.2A333 K341A333-C337 PolarHBondContact O-N 3.03Å; A333-C337 PolarHBondContact O-SG 2.96Å; A333-C337 VanDerWaalsContact O-SG 3.36Å; C337-K341 WeakPolarHBondContact O-CB 3.32Å; C337-K341 PolarHBondContact O-N 3.12Å
338A96.8Very high91.7Very high62 Ų6267.7 Ų67.751%0.51235%0.353SS..Hα-helixtrans-71.2-44.2175.500000111.8A334 R335 F336 K341 S342A334-A338 WeakPolarHBondContact O-CB 3.28Å; A334-A338 PolarHBondContact O-N 3.48Å; R335-A338 PolarHBondContact O-N 3.48Å; F336-A338 VanDerWaalsContact C-N 3.3Å; F336-A338 PolarHBondContact O-N 3.37Å; A338-K341 PolarHBondContact O-N 3.45Å; A338-S342 PolarHBondContact O-N 2.85Å; A338-S342 VanDerWaalsContact O-N 3.1Å
339E97.1Very high91.3Very high50 Ų5069.7 Ų69.723%0.23436%0.362CS..Hα-helixtrans-67.6-43.9-177.4-166.672.6-171.900111.4L254 F258 R335 F336 K341 S342 K344 Y345L254-E339 HydrophobicContact CD1-CB 4.32Å; L254-E339 HydrophobicContact CD1-CG 4.25Å; L254-E339 HydrophobicContact CD2-CG 3.79Å; F258-E339 HydrophobicContact CE2-CB 3.72Å; F258-E339 HydrophobicContact CE2-CG 3.98Å; F258-E339 HydrophobicContact CZ-CB 3.82Å; F258-E339 HydrophobicContact CZ-CG 4.16Å; R335-E339 WeakPolarHBondContact O-CB 3.21Å; R335-E339 PolarHBondContact O-N 3.25Å; F336-E339 PolarHBondContact O-N 3.13Å; E339-K341 VanDerWaalsContact C-N 3.28Å; E339-K341 PolarHBondContact O-N 3.29Å; E339-S342 VanDerWaalsContact O-CB 3.29Å; E339-S342 WeakPolarHBondContact O-CB 3.31Å; E339-S342 PolarHBondContact O-N 2.77Å; E339-S342 PolarHBondContact O-OG 3.24Å; E339-K344 WeakPolarHBondContact OE1-CD 3.47Å; E339-K344 IonicContact OE1-NZ 2.86Å; E339-K344 PolarHBondContact OE1-NZ 2.92Å; E339-Y345 HydrophobicContact CG-CE2 3.86Å; E339-Y345 PolarHBondContact OE1-OH 3.07Å
340I95.8Very high91.1Very high19 Ų1973.4 Ų73.410%0.09738%0.378CS..Hα-helixtrans-67.5-28.3178.8-161.4170.5000112.9T200 A251 L254 F336 S342 G348 H349 A351T200-I340 HydrophobicContact CG2-CD1 4.11Å; A251-I340 HydrophobicContact CB-CD1 3.86Å; L254-I340 HydrophobicContact CD1-CB 3.6Å; L254-I340 HydrophobicContact CD1-CG1 4Å; F336-I340 HydrophobicContact CD1-CG2 4.44Å; F336-I340 HydrophobicContact CE1-CB 4.49Å; F336-I340 HydrophobicContact CE1-CD1 4.02Å; F336-I340 HydrophobicContact CE1-CG2 4.25Å; F336-I340 HydrophobicContact CZ-CD1 4.01Å; F336-I340 WeakPolarHBondContact O-CG2 3.35Å; F336-I340 PolarHBondContact O-N 3.01Å; I340-S342 VanDerWaalsContact C-N 3.34Å; I340-G348 WeakPolarHBondContact O-CA 3.41Å; I340-H349 CarbonylContact C-O 3.56Å; I340-H349 PolarHBondContact O-N 3.38Å; I340-A351 HydrophobicContact CG2-CB 3.77Å
341K94.6Very high91.1Very high115 Ų11566.7 Ų66.750%0.535%0.354SS..Hα-helixtrans-79.8-17.5173.6-170.5-177.6175.2-178.50112.4C337 A338 E339 G348 Q350C337-K341 WeakPolarHBondContact O-CB 3.32Å; C337-K341 PolarHBondContact O-N 3.12Å; A338-K341 PolarHBondContact O-N 3.45Å; E339-K341 VanDerWaalsContact C-N 3.28Å; E339-K341 PolarHBondContact O-N 3.29Å; K341-G348 CarbonylContact O-C 3.25Å; K341-G348 VanDerWaalsContact O-CA 3.31Å; K341-G348 WeakPolarHBondContact O-CA 3.47Å; K341-Q350 HydrophobicContact CD-CB 4.32Å
342S91.4Very high91.2Very high28 Ų2860.9 Ų60.920%0.19633%0.326CS..SBendtrans-69.8149.9-177.781.40000111.1A338 E339 I340 K344 G348A338-S342 PolarHBondContact O-N 2.85Å; A338-S342 VanDerWaalsContact O-N 3.1Å; E339-S342 VanDerWaalsContact O-CB 3.29Å; E339-S342 WeakPolarHBondContact O-CB 3.31Å; E339-S342 PolarHBondContact O-N 2.77Å; E339-S342 PolarHBondContact O-OG 3.24Å; I340-S342 VanDerWaalsContact C-N 3.34Å; S342-K344 PolarHBondContact O-N 3.21Å; S342-K344 WeakPolarHBondContact OG-CB 3.42Å; S342-G348 WeakPolarHBondContact O-CA 3.36Å
343P81.4Confident91.2Very high113 Ų11362.5 Ų62.573%0.73434%0.335SS*.G310 helixtrans-74.26.2178.531.6-36.2000113.7Y345 G346P343-Y345 PolarHBondContact O-N 3.42Å; P343-G346 CarbonylContact C-O 3.5Å; P343-G346 VanDerWaalsContact C-O 3.25Å; P343-G346 WeakPolarHBondContact CA-O 3.39Å; P343-G346 PolarHBondContact O-N 3.35Å
344K81.4Confident91.3Very high136 Ų13662.4 Ų62.459%0.59133%0.334SS*.G310 helixtrans-64.8-28.4-174.6-176.5-178.6171.4-155.80112.9E339 S342E339-K344 WeakPolarHBondContact OE1-CD 3.47Å; E339-K344 IonicContact OE1-NZ 2.86Å; E339-K344 PolarHBondContact OE1-NZ 2.92Å; S342-K344 PolarHBondContact O-N 3.21Å; S342-K344 WeakPolarHBondContact OG-CB 3.42Å
345Y75.6Confident91.4Very high103 Ų10359.5 Ų59.540%0.40431%0.311SS..G310 helixtrans-112.724.4-176.7-56.4-82.4000112.3T250 L254 E339 P343T250-Y345 HydrophobicContact CG2-CD1 4.42Å; T250-Y345 HydrophobicContact CG2-CD2 4.22Å; T250-Y345 HydrophobicContact CG2-CG 3.85Å; L254-Y345 HydrophobicContact CD2-CE2 4.2Å; E339-Y345 HydrophobicContact CG-CE2 3.86Å; E339-Y345 PolarHBondContact OE1-OH 3.07Å; P343-Y345 PolarHBondContact O-N 3.42Å
346G75.6Confident91.4Very high47 Ų4754.3 Ų54.349%0.48529%0.294SS..SBendtrans112.5-149.3-174.100000112.1P343 G348P343-G346 CarbonylContact C-O 3.5Å; P343-G346 VanDerWaalsContact C-O 3.25Å; P343-G346 WeakPolarHBondContact CA-O 3.39Å; P343-G346 PolarHBondContact O-N 3.35Å; G346-G348 PolarHBondContact O-N 2.97Å; G346-G348 VanDerWaalsContact O-N 3.15Å
347E76.4Confident91.5Very high153 Ų15354.4 Ų54.472%0.71529%0.294SS*.SBendtrans-70109.1168-74.4177.3-171.900108.3H349E347-H349 PolarHBondContact O-CD2 3.41Å; E347-H349 PolarHBondContact O-NE2 3.29Å
348G80.9Confident91.5Very high20 Ų2057 Ų5721%0.20630%0.304CS..  trans-72.4134.2-178.400000111.3I340 K341 S342 G346I340-G348 WeakPolarHBondContact O-CA 3.41Å; K341-G348 CarbonylContact O-C 3.25Å; K341-G348 VanDerWaalsContact O-CA 3.31Å; K341-G348 WeakPolarHBondContact O-CA 3.47Å; S342-G348 WeakPolarHBondContact O-CA 3.36Å; G346-G348 PolarHBondContact O-N 2.97Å; G346-G348 VanDerWaalsContact O-N 3.15Å
349H91.1Very high91.6Very high42 Ų4262 Ų6219%0.19432%0.315CS..  trans-117.4140.4-178.8-59.6-87.1000110.8R246 I340 E347 Q378R246-H349 WeakPolarHBondContact CD-CD2 3.46Å; R246-H349 VanDerWaalsContact CD-NE2 3.35Å; R246-H349 WeakPolarHBondContact CD-NE2 3.25Å; R246-H349 VanDerWaalsContact CZ-CG 3.49Å; R246-H349 VanDerWaalsContact NH1-CB 3.33Å; R246-H349 PolarHBondContact NH1-CD2 2.78Å; R246-H349 PolarHBondContact NH1-CE1 3.03Å; R246-H349 PolarHBondContact NH1-ND1 3.16Å; I340-H349 CarbonylContact C-O 3.56Å; I340-H349 PolarHBondContact O-N 3.38Å; E347-H349 PolarHBondContact O-CD2 3.41Å; E347-H349 PolarHBondContact O-NE2 3.29Å; H349-Q378 PolarHBondContact ND1-OE1 2.76Å
350Q94.4Very high91.6Very high86 Ų8660.8 Ų60.840%0.40232%0.315SS..  trans-67.7139.5-177.7-178.1168.7-3.600111.2K341 W352K341-Q350 HydrophobicContact CD-CB 4.32Å; Q350-W352 HydrophobicContact CB-CZ2 4.18Å; Q350-W352 HydrophobicContact CG-CZ2 4.15Å; Q350-W352 VanDerWaalsContact O-CH2 3.26Å; Q350-W352 WeakPolarHBondContact O-CH2 3.17Å; Q350-W352 WeakPolarHBondContact O-CZ3 3.39Å
351A97.8Very high91.7Very high4 Ų465.5 Ų65.53%0.03334%0.341CS..  trans-109.9163.2163.900000110.1I198 L199 T200 F336 I340I198-A351 HydrophobicContact CG2-CB 3.84Å; L199-A351 CarbonylContact O-C 3.58Å; L199-A351 WeakPolarHBondContact O-CA 3.29Å; L199-A351 WeakPolarHBondContact O-CB 3.11Å; T200-A351 HydrophobicContact CG2-CB 4.3Å; F336-A351 HydrophobicContact CE1-CB 4.33Å; I340-A351 HydrophobicContact CG2-CB 3.77Å
352W98.7Very high91.9Very high21 Ų2164.7 Ų64.78%0.0833%0.334CS..EExtended strand (participates in β ladder)trans-129133.4-174-59-91.7000111.6I198 L199 P202 P294 Q350 I354 V375I198-W352 CarbonylContact C-O 3.54Å; I198-W352 VanDerWaalsContact CA-O 3.27Å; I198-W352 WeakPolarHBondContact CA-O 3.22Å; L199-W352 PolarHBondContact N-O 3.44Å; L199-W352 PolarHBondContact O-N 2.99Å; P202-W352 HydrophobicContact CB-CH2 4.34Å; P294-W352 HydrophobicContact CB-CB 4.39Å; P294-W352 HydrophobicContact CB-CD2 3.45Å; P294-W352 VanDerWaalsContact CB-CD2 3.45Å; P294-W352 HydrophobicContact CB-CE3 3.73Å; P294-W352 HydrophobicContact CB-CG 3.74Å; P294-W352 HydrophobicContact CB-CZ2 4.26Å; P294-W352 HydrophobicContact CB-CZ3 4.27Å; P294-W352 HydrophobicContact CG-CB 4.07Å; P294-W352 HydrophobicContact CG-CD2 3.73Å; P294-W352 HydrophobicContact CG-CE3 3.67Å; P294-W352 HydrophobicContact CG-CG 3.91Å; P294-W352 HydrophobicContact CG-CZ3 4.41Å; Q350-W352 HydrophobicContact CB-CZ2 4.18Å; Q350-W352 HydrophobicContact CG-CZ2 4.15Å; Q350-W352 VanDerWaalsContact O-CH2 3.26Å; Q350-W352 WeakPolarHBondContact O-CH2 3.17Å; Q350-W352 WeakPolarHBondContact O-CZ3 3.39Å; W352-I354 HydrophobicContact CB-CG2 3.87Å; W352-I354 PolarHBondContact O-N 2.65Å; W352-V375 HydrophobicContact CH2-CG1 4.23Å; W352-V375 HydrophobicContact CH2-CG2 4.24Å; W352-V375 HydrophobicContact CZ2-CB 4.44Å; W352-V375 HydrophobicContact CZ2-CG1 3.89Å; W352-V375 HydrophobicContact CZ2-CG2 3.61Å
353I98.8Very high92.2Very high76 Ų7666.4 Ų66.439%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-75.1106.7162.9-60.4160.8000107.8V196 L197 I198 N292 A333V196-I353 HydrophobicContact CB-CG2 3.97Å; V196-I353 HydrophobicContact CG1-CG2 4.48Å; V196-I353 HydrophobicContact CG2-CG2 4.22Å; L197-I353 CarbonylContact O-C 3.47Å; L197-I353 WeakPolarHBondContact O-CA 3.37Å; I198-I353 HydrophobicContact CD1-CB 4.04Å; I198-I353 HydrophobicContact CD1-CD1 4.46Å; I198-I353 HydrophobicContact CD1-CG1 3.27Å; N292-I353 PolarHBondContact ND2-O 3.18Å; N292-I353 VanDerWaalsContact ND2-O 3.13Å; N292-I353 PolarHBondContact OD1-O 2.92Å; A333-I353 HydrophobicContact CB-CD1 4.06Å; A333-I353 HydrophobicContact CB-CG1 4.27Å
354I98.8Very high93.1Very high0 Ų061.4 Ų61.40%031%0.312CS..EExtended strand (participates in β ladder)trans-100.3-15.9-17365.1161000114L197 L199 I271 I290 H291 N292 P294 L325 W352L197-I354 HydrophobicContact CB-CG1 3.93Å; L197-I354 WeakPolarHBondContact O-CG1 3.32Å; L197-I354 PolarHBondContact O-N 2.95Å; L199-I354 HydrophobicContact CB-CD1 3.98Å; L199-I354 HydrophobicContact CB-CG1 4.31Å; L199-I354 HydrophobicContact CB-CG2 3.87Å; L199-I354 HydrophobicContact CD2-CD1 4.38Å; I271-I354 HydrophobicContact CD1-CD1 4.14Å; I290-I354 HydrophobicContact CD1-CD1 4.43Å; I290-I354 HydrophobicContact CG1-CD1 4.25Å; I290-I354 HydrophobicContact CG2-CB 4.49Å; I290-I354 HydrophobicContact CG2-CD1 4.06Å; H291-I354 PolarHBondContact N-O 3.42Å; N292-I354 PolarHBondContact N-O 3.42Å; N292-I354 VanDerWaalsContact N-O 3.11Å; N292-I354 WeakPolarHBondContact O-CB 3.39Å; N292-I354 WeakPolarHBondContact OD1-CA 3.34Å; P294-I354 HydrophobicContact CG-CG2 4.11Å; L325-I354 HydrophobicContact CD1-CD1 3.81Å; L325-I354 HydrophobicContact CD1-CG1 4.36Å; W352-I354 HydrophobicContact CB-CG2 3.87Å; W352-I354 PolarHBondContact O-N 2.65Å
355G98.8Very high93.9Very high5 Ų560.7 Ų60.75%0.05231%0.306CS..EExtended strand (participates in β ladder)trans-176.9-165.8-17300000113.8V196 L197 V289V196-G355 WeakPolarHBondContact CA-O 3.48Å; L197-G355 PolarHBondContact N-O 2.87Å; V289-G355 CarbonylContact O-C 3.5Å; V289-G355 WeakPolarHBondContact O-CA 3.43Å
356I98.8Very high95Very high40 Ų4056.9 Ų56.921%0.20529%0.292CS..EExtended strand (participates in β ladder)trans-137.3158.9-176.259.3177.3000111.4D195 V196 V289 E358D195-I356 WeakPolarHBondContact O-CA 3.32Å; V196-I356 HydrophobicContact CG1-CG2 4.3Å; V289-I356 HydrophobicContact CB-CG1 4.28Å; V289-I356 PolarHBondContact N-O 2.88Å; V289-I356 PolarHBondContact O-N 2.89Å; I356-E358 HydrophobicContact CD1-CG 3.75Å; I356-E358 WeakPolarHBondContact CD1-OE1 3.45Å; I356-E358 HydrophobicContact CG1-CG 3.99Å
357V98.9Very high96.1Very high2 Ų256.9 Ų56.91%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-100.1124.6167.5-175.50000107.9A191 V192 G194 D195 L197 V286 S287 F288A191-V357 HydrophobicContact CB-CG1 4.34Å; V192-V357 WeakPolarHBondContact O-CG1 3.48Å; G194-V357 PolarHBondContact N-O 3.1Å; D195-V357 HydrophobicContact CB-CB 3.9Å; D195-V357 HydrophobicContact CB-CG2 3.71Å; D195-V357 PolarHBondContact O-N 3.06Å; L197-V357 HydrophobicContact CD2-CG2 3.84Å; L197-V357 HydrophobicContact CG-CG2 4.41Å; V286-V357 HydrophobicContact CB-CG1 3.56Å; V286-V357 HydrophobicContact CG1-CG1 3.82Å; V286-V357 HydrophobicContact CG2-CG1 4.04Å; S287-V357 WeakPolarHBondContact O-CA 3.47Å; F288-V357 HydrophobicContact CD1-CB 4.27Å; F288-V357 HydrophobicContact CD1-CG1 3.97Å; F288-V357 HydrophobicContact CD1-CG2 3.76Å; F288-V357 HydrophobicContact CE1-CB 4.42Å; F288-V357 HydrophobicContact CE1-CG1 3.87Å; F288-V357 HydrophobicContact CE1-CG2 3.79Å
358E98.6Very high97Very high75 Ų7557.5 Ų57.535%0.3529%0.289SS..EExtended strand (participates in β ladder)trans-115.4166.2178.4-62.9179.6165.700109.9V286 S287 V289 I356 G360V286-E358 CarbonylContact C-O 3.41Å; V286-E358 WeakPolarHBondContact CA-O 3.43Å; V286-E358 WeakPolarHBondContact CB-O 3.26Å; S287-E358 PolarHBondContact N-O 2.68Å; S287-E358 PolarHBondContact O-N 3.04Å; V289-E358 HydrophobicContact CG2-CG 4.37Å; I356-E358 HydrophobicContact CD1-CG 3.75Å; I356-E358 WeakPolarHBondContact CD1-OE1 3.45Å; I356-E358 HydrophobicContact CG1-CG 3.99Å; E358-G360 PolarHBondContact O-N 3.08Å
359K98.6Very high97.8Very high167 Ų16765.5 Ų65.573%0.72632%0.318SS*.EExtended strand (participates in β ladder)trans-62.4132.2165.1-178.5177.1179.5177.30108.8P193 E285P193-K359 HydrophobicContact CG-CB 4.3Å; E285-K359 WeakPolarHBondContact O-CA 3.03Å
360G98Very high98.1Very high24 Ų2464.6 Ų64.625%0.24732%0.316CS..SBendtrans-173.6-160.5-176.300000114E285 S287 E358E285-G360 CarbonylContact C-O 3.46Å; E285-G360 WeakPolarHBondContact CA-O 3.11Å; E285-G360 WeakPolarHBondContact CB-O 3.47Å; E285-G360 PolarHBondContact O-N 3.44Å; E285-G360 VanDerWaalsContact O-O 3.11Å; S287-G360 WeakPolarHBondContact OG-CA 3.39Å; E358-G360 PolarHBondContact O-N 3.08Å
361N97.8Very high98.3Very high119 Ų11969.4 Ų69.464%0.63633%0.33SS*.SBendtrans-114.937.2-168.163-12.5000112.9S287 T363S287-N361 PolarHBondContact OG-N 2.76Å; S287-N361 PolarHBondContact OG-OD1 3.32Å; N361-T363 PolarHBondContact O-N 2.83Å; N361-T363 VanDerWaalsContact OD1-CG2 3.27Å; N361-T363 WeakPolarHBondContact OD1-CG2 3.27Å; N361-T363 PolarHBondContact OD1-OG1 2.56Å
362R98.4Very high98.3Very high97 Ų9771.5 Ų71.537%0.36634%0.34SS..SBendtrans5942.5179.9-59.1-173.8-174.1106.10.3113.7A279 Q282 R283 V286 S287A279-R362 WeakPolarHBondContact O-CA 3.41Å; A279-R362 VanDerWaalsContact O-CB 3.3Å; A279-R362 WeakPolarHBondContact O-CB 3.41Å; Q282-R362 WeakPolarHBondContact O-CD 3.5Å; Q282-R362 PolarHBondContact O-NE 3.44Å; R283-R362 PolarHBondContact O-NH2 2.74Å; V286-R362 WeakPolarHBondContact O-CA 3.32Å; V286-R362 PolarHBondContact O-N 3Å; S287-R362 PolarHBondContact OG-N 3.35Å
363T98.6Very high98.3Very high65 Ų6572.7 Ų72.740%0.39935%0.348SS..  trans-118.6163176.661.30000111.8A279 S287 F288 N361A279-T363 WeakPolarHBondContact CB-O 3.48Å; S287-T363 CarbonylContact C-O 3.01Å; S287-T363 WeakPolarHBondContact CA-O 3.15Å; S287-T363 WeakPolarHBondContact CB-O 3.44Å; S287-T363 PolarHBondContact OG-N 3.28Å; S287-T363 PolarHBondContact OG-O 3.27Å; S287-T363 PolarHBondContact OG-OG1 3.31Å; F288-T363 PolarHBondContact N-O 3.47Å; N361-T363 PolarHBondContact O-N 2.83Å; N361-T363 VanDerWaalsContact OD1-CG2 3.27Å; N361-T363 WeakPolarHBondContact OD1-CG2 3.27Å; N361-T363 PolarHBondContact OD1-OG1 2.56Å
364A98.8Very high98.2Very high7 Ų773.7 Ų73.76%0.05835%0.351CS..EExtended strand (participates in β ladder)trans-128.4142.8170.700000110.7A275 Q276 A279 F288A275-A364 VanDerWaalsContact C-CB 3.48Å; A275-A364 HydrophobicContact CB-CB 3.78Å; A275-A364 WeakPolarHBondContact O-CB 3.15Å; Q276-A364 HydrophobicContact CB-CB 4.44Å; Q276-A364 HydrophobicContact CG-CB 3.85Å; A279-A364 HydrophobicContact CB-CB 4.15Å; F288-A364 HydrophobicContact CB-CB 3.81Å; F288-A364 HydrophobicContact CD2-CB 4.4Å; F288-A364 WeakPolarHBondContact O-CA 3.31Å
365R98.8Very high98.1Very high121 Ų12174.9 Ų74.946%0.45736%0.358SS..EExtended strand (participates in β ladder)trans-141.3150.8176.265.3-179.2179.685.33.7111.4F288 V289 I290F288-R365 PolarHBondContact O-N 2.97Å; V289-R365 WeakPolarHBondContact CA-O 3.41Å; V289-R365 HydrophobicContact CG1-CG 4.49Å; V289-R365 HydrophobicContact CG2-CG 4.32Å; I290-R365 PolarHBondContact N-O 3.39Å
366I98.8Very high97.7Very high24 Ų2478 Ų7812%0.12338%0.383CS..EExtended strand (participates in β ladder)trans-96.3139162.5-61.8163.7000106.7I271 L272 I290 L293 P370I271-I366 HydrophobicContact CG2-CD1 4.24Å; L272-I366 HydrophobicContact CB-CD1 4.03Å; L272-I366 HydrophobicContact CD1-CG1 4.32Å; I290-I366 HydrophobicContact CB-CB 4.46Å; I290-I366 HydrophobicContact CB-CG1 3.85Å; I290-I366 HydrophobicContact CD1-CG1 4.01Å; I290-I366 HydrophobicContact CG1-CG1 4.5Å; I290-I366 HydrophobicContact CG2-CG1 4.11Å; I290-I366 WeakPolarHBondContact O-CA 3.33Å; L293-I366 HydrophobicContact CD2-CD1 4.46Å; I366-P370 HydrophobicContact CG2-CB 3.63Å; I366-P370 HydrophobicContact CG2-CG 3.75Å
367I98.5Very high96.7Very high46 Ų4678 Ų7824%0.23639%0.386CS..EExtended strand (participates in β ladder)trans-61.7153.3174.865.4173.8000110.7V289 I290 H291 K369 P370V289-I367 HydrophobicContact CG1-CG2 3.74Å; I290-I367 PolarHBondContact O-N 3.26Å; H291-I367 HydrophobicContact CB-CD1 4.37Å; H291-I367 WeakPolarHBondContact O-CD1 3.49Å; I367-K369 PolarHBondContact O-N 3.24Å; I367-P370 HydrophobicContact CG1-CB 4.27Å; I367-P370 VanDerWaalsContact O-CD 3.26Å; I367-P370 WeakPolarHBondContact O-CD 3.21Å
368D95.7Very high95.3Very high166 Ų16682.8 Ų82.889%0.88841%0.408SS*.EExtended strand (participates in β ladder)trans-55.8-30.6-173.6-59.4-22.4000114.6
369K96.4Very high92.9Very high188 Ų18886.4 Ų86.482%0.81743%0.429SS*.EExtended strand (participates in β ladder)trans-128.875.3179.2-64.4-177.4-177.3176.40109.3I367I367-K369 PolarHBondContact O-N 3.24Å
370P97.8Very high90.2Very high24 Ų2482.7 Ų82.716%0.15642%0.424CS..EExtended strand (participates in β ladder)trans-66.6141-179.329.6-31.4000109.6H291 L293 I366 I367 I372H291-P370 WeakPolarHBondContact O-CA 3.23Å; L293-P370 HydrophobicContact CD1-CB 4.17Å; L293-P370 HydrophobicContact CD1-CG 3.99Å; L293-P370 HydrophobicContact CG-CB 4.23Å; I366-P370 HydrophobicContact CG2-CB 3.63Å; I366-P370 HydrophobicContact CG2-CG 3.75Å; I367-P370 HydrophobicContact CG1-CB 4.27Å; I367-P370 VanDerWaalsContact O-CD 3.26Å; I367-P370 WeakPolarHBondContact O-CD 3.21Å; P370-I372 HydrophobicContact CG-CD1 4.42Å; P370-I372 PolarHBondContact O-N 3.16Å
371R98.4Very high87Confident187 Ų18787.6 Ų87.671%0.70645%0.449SS*.EExtended strand (participates in β ladder)trans-71.7129172.5174.7-179.5173.1174.8-1.1109H291 N292 L293H291-R371 PolarHBondContact O-N 2.85Å; N292-R371 CarbonylContact C-O 3.57Å; N292-R371 WeakPolarHBondContact CA-O 3.43Å; N292-R371 HydrophobicContact CB-CB 3.96Å; N292-R371 WeakPolarHBondContact CB-O 3.46Å; L293-R371 PolarHBondContact N-O 2.95Å
372I98.3Very high84Confident47 Ų4789.4 Ų89.424%0.24145%0.454CS..EExtended strand (participates in β ladder)trans-90.2126.1174.8-50.8-50.1000109.1L293 V295 A300 M313 P370L293-I372 HydrophobicContact CB-CD1 4Å; L293-I372 HydrophobicContact CD1-CD1 4.15Å; L293-I372 HydrophobicContact CG-CD1 4.48Å; V295-I372 HydrophobicContact CB-CG2 4.12Å; V295-I372 HydrophobicContact CG2-CG2 4.12Å; A300-I372 HydrophobicContact CB-CG2 4Å; M313-I372 HydrophobicContact CE-CD1 3.09Å; M313-I372 HydrophobicContact CE-CG1 3.39Å; P370-I372 HydrophobicContact CG-CD1 4.42Å; P370-I372 PolarHBondContact O-N 3.16Å
373I98.3Very high80.6Confident47 Ų4791.7 Ų91.724%0.24147%0.473CS..EExtended strand (participates in β ladder)trans-100.1100.3171.1-55.9174.5000105.3N292 L293 P294 V295 V375N292-I373 HydrophobicContact CB-CD1 4.19Å; N292-I373 HydrophobicContact CB-CG1 4.4Å; N292-I373 WeakPolarHBondContact OD1-CD1 3.41Å; L293-I373 PolarHBondContact O-N 3.21Å; P294-I373 WeakPolarHBondContact CA-O 3.41Å; P294-I373 HydrophobicContact CB-CB 4.49Å; V295-I373 PolarHBondContact N-O 3.03Å; I373-V375 PolarHBondContact O-N 3.43Å
374E97.2Very high77.3Confident96 Ų9694.4 Ų94.445%0.44949%0.49SS..EExtended strand (participates in β ladder)trans-66.8116.5175.1-69.4-79.2154.600108.9A297 K298A297-E374 WeakPolarHBondContact CA-OE2 3.39Å; K298-E374 PolarHBondContact N-OE2 3.02Å
375V96.9Very high74Confident26 Ų26100.9 Ų100.916%0.15852%0.523CS..EExtended strand (participates in β ladder)trans-97.5101.2-179.6-176.70000108P202 P294 V295 A297 W352 I373P202-V375 HydrophobicContact CB-CB 4.14Å; P202-V375 HydrophobicContact CB-CG1 4.26Å; P202-V375 HydrophobicContact CB-CG2 4.07Å; P202-V375 HydrophobicContact CG-CG1 4.44Å; P294-V375 HydrophobicContact CB-CG2 3.82Å; V295-V375 PolarHBondContact O-N 2.74Å; A297-V375 WeakPolarHBondContact CB-O 3.4Å; A297-V375 PolarHBondContact N-O 2.9Å; W352-V375 HydrophobicContact CH2-CG1 4.23Å; W352-V375 HydrophobicContact CH2-CG2 4.24Å; W352-V375 HydrophobicContact CZ2-CB 4.44Å; W352-V375 HydrophobicContact CZ2-CG1 3.89Å; W352-V375 HydrophobicContact CZ2-CG2 3.61Å; I373-V375 PolarHBondContact O-N 3.43Å
376A90.3Very high70.8Confident70 Ų70100.5 Ų100.558%0.57954%0.537SS*.  trans-68.4149.9176.500000111.1
377P78.2Confident67.7Low39 Ų39105.5 Ų105.525%0.25357%0.568SS.*  trans-52142.7171.6-25.133.2000112L235 E239 L379L235-P377 HydrophobicContact CB-CG 4.03Å; E239-P377 HydrophobicContact CG-CB 3.54Å; E239-P377 HydrophobicContact CG-CG 3.93Å; E239-P377 VanDerWaalsContact OE1-CA 3.26Å; E239-P377 WeakPolarHBondContact OE1-CA 3.49Å; E239-P377 WeakPolarHBondContact OE1-CB 3.47Å; P377-L379 VanDerWaalsContact C-N 3.29Å; P377-L379 PolarHBondContact O-N 2.73Å
378Q68.7Low64.8Low103 Ų103109.4 Ų109.448%0.48160%0.597SS.*  trans-74.991.8168.3-67.8-175.2-12.100106.5E239 H349 S380E239-Q378 PolarHBondContact OE1-N 2.89Å; H349-Q378 PolarHBondContact ND1-OE1 2.76Å; Q378-S380 PolarHBondContact O-N 2.82Å
379L49Very low61.8Low151 Ų151104.7 Ų104.779%0.79159%0.588SS**  trans-53.1109.8168.7-77.7165.1000106.9P377 T381P377-L379 VanDerWaalsContact C-N 3.29Å; P377-L379 PolarHBondContact O-N 2.73Å; L379-T381 PolarHBondContact O-N 3.02Å
380S42Very low59.2Low90 Ų90100.8 Ų100.863%0.62959%0.59SS**  trans-54.5116.7164.4530000105.3Q378 Q382Q378-S380 PolarHBondContact O-N 2.82Å; S380-Q382 PolarHBondContact O-N 3.33Å
381T30.7Very low56.6Low126 Ų126106 Ų10677%0.77362%0.622SS**  trans-63.490.3172.944.40000106.4L379 N383L379-T381 PolarHBondContact O-N 3.02Å; T381-N383 VanDerWaalsContact C-N 3.27Å; T381-N383 PolarHBondContact O-N 2.96Å
382Q33.4Very low53.8Low157 Ų157106.2 Ų106.273%0.73465%0.652SS**  trans-6694.8168.6-67.6-174.93.500105.9S380 V384S380-Q382 PolarHBondContact O-N 3.33Å; Q382-V384 PolarHBondContact O-N 2.82Å
383N28.3Very low51.5Low145 Ų145109.2 Ų109.278%0.77567%0.673SS**  trans-63.789.7161.8-82.5-22.3000106.8T381 N385T381-N383 VanDerWaalsContact C-N 3.27Å; T381-N383 PolarHBondContact O-N 2.96Å; N383-N385 VanDerWaalsContact C-N 3.28Å; N383-N385 PolarHBondContact O-N 2.99Å
384V29.7Very low49.1Very low123 Ų123112.5 Ų112.575%0.74570%0.695SS**  trans-63.298.5160.6-179.80000105.3Q382 P386Q382-V384 PolarHBondContact O-N 2.82Å; V384-P386 WeakPolarHBondContact O-CD 3.38Å
385N28.2Very low46.4Very low142 Ų142113.4 Ų113.476%0.75971%0.709SS**  trans-55.1122.7168.8-86.3-26.5000107.7N383 T387N383-N385 VanDerWaalsContact C-N 3.28Å; N383-N385 PolarHBondContact O-N 2.99Å; N385-T387 PolarHBondContact O-N 3.38Å
386P33.1Very low43.4Very low113 Ų113118.5 Ų118.573%0.73474%0.742SS**  trans-63.8122.1170.825.7-30.4000107.6V384V384-P386 WeakPolarHBondContact O-CD 3.38Å
387T33.2Very low40.5Very low129 Ų129121.6 Ų121.679%0.79175%0.752SS**  trans-43.2128167.331.40000110.1N385 G389N385-T387 PolarHBondContact O-N 3.38Å; T387-G389 PolarHBondContact O-N 3.07Å; T387-G389 VanDerWaalsContact O-N 3.12Å
388P36.2Very low38Very low129 Ų129127.1 Ų127.184%0.83879%0.785SS**PPolyproline II helixtrans-62.9118.7172.2-15.128.4000108.2A390P388-A390 PolarHBondContact O-N 3.08Å
389G34.6Very low35.8Very low67 Ų67128.8 Ų128.869%0.69181%0.807SS**PPolyproline II helixtrans-56.7133.8174.300000110.6T387 T391T387-G389 PolarHBondContact O-N 3.07Å; T387-G389 VanDerWaalsContact O-N 3.12Å; G389-T391 PolarHBondContact O-N 3.06Å
390A40Very low34.8Very low105 Ų105127.1 Ų127.187%0.86881%0.808SS**PPolyproline II helixtrans-61.8122.816400000109P388P388-A390 PolarHBondContact O-N 3.08Å
391T44.3Very low34.2Very low134 Ų134130.2 Ų130.282%0.82282%0.823SS**  trans-125.9116.3157.848.80000108.3G389G389-T391 PolarHBondContact O-N 3.06Å
392S38.7Very low34.5Very low192 Ų192130.5 Ų130.5100%1.34383%0.827SS**  trans-500154.952.60000113

Retrieved 392 of 392 residues in 266.5 ms (Link to these results)

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