A0A096NPR0_PAPAN Loading...

ARF like GTPase 8A

AlphaFold DB (Q96BM9), UniProt , Accession A0A096NPR0, Species PAPAN (Papio anubis, Olive baboon), Gene ARL8A, Length 186 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
1M63.7Low75.5Confident194 Ų194114 Ų11496%0.95657%0.57SS**  0-590-76.9-66.1-90.700112.5A3 L4 F5M1-A3 PolarHBondContact O-N 2.78Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-F5 PolarHBondContact O-N 2.86Å
2I78.7Confident75Confident131 Ų131112.2 Ų112.267%0.67256%0.557SS**Hα-helixtrans-57.3-43.3-177.1-60.9168.9000112.9L4 F5 N6I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.39Å; I2-F5 PolarHBondContact O-N 3.3Å; I2-N6 WeakPolarHBondContact O-CB 3.33Å; I2-N6 PolarHBondContact O-N 3.41Å
3A78Confident74.2Confident69 Ų69110.4 Ų110.457%0.5754%0.543SS*.Hα-helixtrans-64.1-35.1177.400000113.8M1 K7M1-A3 PolarHBondContact O-N 2.78Å; A3-K7 WeakPolarHBondContact O-CB 3.29Å; A3-K7 WeakPolarHBondContact O-CG 3.48Å; A3-K7 PolarHBondContact O-N 3.32Å
4L79.6Confident73.6Confident124 Ų124107.1 Ų107.165%0.64954%0.543SS*.Hα-helixtrans-71.2-41.7176.5-175.768.9000110.5M1 I2 K7 L8M1-L4 PolarHBondContact O-N 3.26Å; M1-L4 VanDerWaalsContact O-N 3.09Å; I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.39Å; L4-K7 PolarHBondContact O-N 3.02Å; L4-L8 WeakPolarHBondContact O-CB 3.47Å; L4-L8 PolarHBondContact O-N 3.04Å
5F84Confident72.8Confident124 Ų124107.3 Ų107.354%0.54455%0.545SS..Hα-helixtrans-63.5-43.5175.3-176.5-98.3000112M1 I2 L8 L9M1-F5 PolarHBondContact O-N 2.86Å; I2-F5 PolarHBondContact O-N 3.3Å; F5-L8 PolarHBondContact O-N 3Å; F5-L9 VanDerWaalsContact O-CB 3.29Å; F5-L9 WeakPolarHBondContact O-CB 3.32Å; F5-L9 PolarHBondContact O-N 2.88Å
6N76.6Confident72.1Confident74 Ų74110.6 Ų110.640%0.39656%0.555SS.*Hα-helixtrans-63.6-42.8176-71.6-11.9000111.5I2 L8 L9 D10I2-N6 WeakPolarHBondContact O-CB 3.33Å; I2-N6 PolarHBondContact O-N 3.41Å; N6-L8 VanDerWaalsContact C-N 3.35Å; N6-L8 PolarHBondContact O-N 3.09Å; N6-L9 PolarHBondContact O-N 2.76Å; N6-D10 VanDerWaalsContact O-CB 3.32Å; N6-D10 WeakPolarHBondContact O-CB 3.32Å; N6-D10 PolarHBondContact O-N 2.9Å
7K72.8Confident71.7Confident152 Ų152111.5 Ų111.566%0.66155%0.55SS**Hα-helixtrans-61.3-41.8173.4-76.8-178177.5-172.60112.5A3 L4 W11A3-K7 WeakPolarHBondContact O-CB 3.29Å; A3-K7 WeakPolarHBondContact O-CG 3.48Å; A3-K7 PolarHBondContact O-N 3.32Å; L4-K7 PolarHBondContact O-N 3.02Å; K7-W11 VanDerWaalsContact O-CB 3.24Å; K7-W11 WeakPolarHBondContact O-CB 3.27Å; K7-W11 PolarHBondContact O-N 2.78Å
8L78.6Confident71.5Confident86 Ų86112.6 Ų112.645%0.4555%0.551SS.*Hα-helixtrans-65.6-42.2176.8-173.474.3000111.1L4 F5 N6 W11 F12L4-L8 WeakPolarHBondContact O-CB 3.47Å; L4-L8 PolarHBondContact O-N 3.04Å; F5-L8 PolarHBondContact O-N 3Å; N6-L8 VanDerWaalsContact C-N 3.35Å; N6-L8 PolarHBondContact O-N 3.09Å; L8-W11 HydrophobicContact CD1-CE3 4.08Å; L8-W11 HydrophobicContact CD1-CZ3 4.45Å; L8-W11 WeakPolarHBondContact O-CB 3.19Å; L8-W11 PolarHBondContact O-N 3.31Å; L8-F12 HydrophobicContact CD1-CD2 4.34Å; L8-F12 HydrophobicContact CD1-CE2 4.05Å; L8-F12 HydrophobicContact CD2-CE2 4.18Å; L8-F12 HydrophobicContact CG-CD2 3.9Å; L8-F12 HydrophobicContact CG-CE2 3.87Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.21Å; L8-F12 PolarHBondContact O-N 2.76Å
9L75.8Confident72.1Confident64 Ų64109.5 Ų109.534%0.33554%0.536SS..Hα-helixtrans-67.1-42.4177.4-16977.3000111.3F5 N6 W11 F12 K13F5-L9 VanDerWaalsContact O-CB 3.29Å; F5-L9 WeakPolarHBondContact O-CB 3.32Å; F5-L9 PolarHBondContact O-N 2.88Å; N6-L9 PolarHBondContact O-N 2.76Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-F12 PolarHBondContact O-N 3.38Å; L9-K13 HydrophobicContact CG-CD 4.39Å; L9-K13 WeakPolarHBondContact O-CB 3.36Å; L9-K13 WeakPolarHBondContact O-CG 3.32Å; L9-K13 PolarHBondContact O-N 3.29Å
10D72.5Confident72.7Confident95 Ų95109.2 Ų109.251%0.50853%0.533SS..Hα-helixtrans-64.3-37.7175.2-69.3-22.9000110.9N6 A14N6-D10 VanDerWaalsContact O-CB 3.32Å; N6-D10 WeakPolarHBondContact O-CB 3.32Å; N6-D10 PolarHBondContact O-N 2.9Å; D10-A14 WeakPolarHBondContact O-CB 3.46Å; D10-A14 PolarHBondContact O-N 3.39Å
11W70.5Confident73.6Confident141 Ų141104.2 Ų104.253%0.53451%0.509SS..Hα-helixtrans-64.3-47.2171.5174.979.2000112.4K7 L8 L9 A14 L15K7-W11 VanDerWaalsContact O-CB 3.24Å; K7-W11 WeakPolarHBondContact O-CB 3.27Å; K7-W11 PolarHBondContact O-N 2.78Å; L8-W11 HydrophobicContact CD1-CE3 4.08Å; L8-W11 HydrophobicContact CD1-CZ3 4.45Å; L8-W11 WeakPolarHBondContact O-CB 3.19Å; L8-W11 PolarHBondContact O-N 3.31Å; L9-W11 VanDerWaalsContact C-N 3.3Å; W11-A14 PolarHBondContact O-N 3.24Å; W11-L15 HydrophobicContact CD2-CD1 4.3Å; W11-L15 HydrophobicContact CH2-CD1 4.23Å; W11-L15 HydrophobicContact CZ2-CD1 3.72Å; W11-L15 PolarHBondContact O-N 3.15Å
12F69.3Low75.1Confident92 Ų9298 Ų9840%0.40448%0.478SS..Hα-helixtrans-61.8-44.6175-93.3-68.7000111.7L8 L9 L15 F16L8-F12 HydrophobicContact CD1-CD2 4.34Å; L8-F12 HydrophobicContact CD1-CE2 4.05Å; L8-F12 HydrophobicContact CD2-CE2 4.18Å; L8-F12 HydrophobicContact CG-CD2 3.9Å; L8-F12 HydrophobicContact CG-CE2 3.87Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.21Å; L8-F12 PolarHBondContact O-N 2.76Å; L9-F12 PolarHBondContact O-N 3.38Å; F12-L15 WeakPolarHBondContact O-CB 3.16Å; F12-L15 PolarHBondContact O-N 3.21Å; F12-L15 VanDerWaalsContact O-N 3.12Å; F12-F16 HydrophobicContact CD1-CE2 4.2Å; F12-F16 WeakPolarHBondContact O-CD2 3.21Å; F12-F16 PolarHBondContact O-N 2.83Å
13K65.2Low76Confident89 Ų8991.9 Ų91.939%0.38745%0.446SS..Hα-helixtrans-55.6-53.4174-80.4179.4-178.5174.80109.1L9 L15 F16 W17L9-K13 HydrophobicContact CG-CD 4.39Å; L9-K13 WeakPolarHBondContact O-CB 3.36Å; L9-K13 WeakPolarHBondContact O-CG 3.32Å; L9-K13 PolarHBondContact O-N 3.29Å; K13-L15 PolarHBondContact O-N 2.83Å; K13-L15 VanDerWaalsContact O-N 3.1Å; K13-F16 CarbonylContact O-C 3.51Å; K13-F16 PolarHBondContact O-N 3.45Å; K13-W17 VanDerWaalsContact CA-CD1 3.49Å; K13-W17 VanDerWaalsContact CB-CD1 3.43Å; K13-W17 PolarHBondContact O-N 3.28Å
14A65.4Low77Confident65 Ų6588.6 Ų88.654%0.53742%0.419SS..Hα-helixtrans-56-30.117900000113D10 W11 F16D10-A14 WeakPolarHBondContact O-CB 3.46Å; D10-A14 PolarHBondContact O-N 3.39Å; W11-A14 PolarHBondContact O-N 3.24Å; A14-F16 VanDerWaalsContact C-N 3.35Å
15L61.1Low77.9Confident110 Ų11082.8 Ų82.858%0.57639%0.388SS*.Hα-helixtrans-66.4-32.8173.4-120.7100.4000113.6W11 F12 K13W11-L15 HydrophobicContact CD2-CD1 4.3Å; W11-L15 HydrophobicContact CH2-CD1 4.23Å; W11-L15 HydrophobicContact CZ2-CD1 3.72Å; W11-L15 PolarHBondContact O-N 3.15Å; F12-L15 WeakPolarHBondContact O-CB 3.16Å; F12-L15 PolarHBondContact O-N 3.21Å; F12-L15 VanDerWaalsContact O-N 3.12Å; K13-L15 PolarHBondContact O-N 2.83Å; K13-L15 VanDerWaalsContact O-N 3.1Å
16F62.6Low78.6Confident160 Ų16076.9 Ų76.970%0.70236%0.362SS*.Hα-helixtrans-102.4-27.2-175.1-69.8-70000114.2F12 K13 A14 K18F12-F16 HydrophobicContact CD1-CE2 4.2Å; F12-F16 WeakPolarHBondContact O-CD2 3.21Å; F12-F16 PolarHBondContact O-N 2.83Å; K13-F16 CarbonylContact O-C 3.51Å; K13-F16 PolarHBondContact O-N 3.45Å; A14-F16 VanDerWaalsContact C-N 3.35Å; F16-K18 PolarHBondContact O-N 2.85Å
17W65Low79.6Confident125 Ų12573.3 Ų73.347%0.47334%0.344SS..  trans-83.8113-179.1-59106.1000110.5K13K13-W17 VanDerWaalsContact CA-CD1 3.49Å; K13-W17 VanDerWaalsContact CB-CD1 3.43Å; K13-W17 PolarHBondContact O-N 3.28Å
18K68.6Low80.8Confident131 Ų13166.7 Ų66.757%0.5732%0.315SS*.  trans-76.1131164.4-65.7-177.4179.5-178.40108.9F16 N64F16-K18 PolarHBondContact O-N 2.85Å; K18-N64 CarbonylContact C-O 3.6Å; K18-N64 WeakPolarHBondContact CA-O 3.24Å; K18-N64 WeakPolarHBondContact CB-O 3.31Å
19E81.8Confident81.7Confident54 Ų5465.6 Ų65.625%0.25231%0.308SS..EExtended strand (participates in β ladder)trans-78.1143.5170.8-63.5-177.5147.300108.7N64 V65 T66 S181E19-N64 PolarHBondContact N-O 3.2Å; E19-V65 HydrophobicContact CB-CG1 4.46Å; E19-V65 HydrophobicContact CB-CG2 4.22Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.3Å; E19-T66 PolarHBondContact O-N 2.86Å; E19-S181 PolarHBondContact OE2-OG 3.04Å; E19-S181 VanDerWaalsContact OE2-OG 3.09Å
20E84.4Confident82.6Confident103 Ų10368.6 Ų68.648%0.48132%0.316SS..EExtended strand (participates in β ladder)trans-118.7137.5175.8-68.8-172.5171.500108.6T66E20-T66 WeakPolarHBondContact CA-O 3.37Å
21M92Very high83.8Confident5 Ų564.2 Ų64.23%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-133141.2173.271.2178.3-50.200110L23 V65 T66 I67 K68 L177M21-L23 HydrophobicContact CE-CD1 3.71Å; M21-L23 HydrophobicContact CE-CD2 3.5Å; M21-L23 VanDerWaalsContact CE-CD2 3.5Å; M21-L23 HydrophobicContact CE-CG 3.66Å; M21-L23 HydrophobicContact SD-CD1 4.27Å; M21-V65 HydrophobicContact CG-CG1 4.03Å; M21-V65 HydrophobicContact SD-CG1 4.05Å; M21-T66 PolarHBondContact N-O 3.1Å; M21-I67 HydrophobicContact CG-CB 3.96Å; M21-I67 HydrophobicContact CG-CG1 3.77Å; M21-I67 HydrophobicContact CG-CG2 3.84Å; M21-I67 WeakPolarHBondContact O-CA 3.45Å; M21-I67 HydrophobicContact SD-CB 4.3Å; M21-I67 HydrophobicContact SD-CD1 3.86Å; M21-I67 HydrophobicContact SD-CG1 3.64Å; M21-I67 HydrophobicContact SD-CG2 4.04Å; M21-K68 PolarHBondContact O-N 3.3Å; M21-L177 HydrophobicContact CE-CB 4.04Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å
22E95.3Very high85Confident65 Ų6558 Ų5830%0.30427%0.272SS..EExtended strand (participates in β ladder)trans-110.9128.7173.6-169.3158.2-172.400108.4K68 W70 V89 S90E22-K68 CarbonylContact C-O 3.54Å; E22-K68 WeakPolarHBondContact CA-O 3.49Å; E22-K68 VanDerWaalsContact CD-NZ 3.33Å; E22-K68 HydrophobicContact CG-CB 4.44Å; E22-K68 HydrophobicContact CG-CD 4.17Å; E22-K68 HydrophobicContact CG-CG 4.43Å; E22-K68 VanDerWaalsContact OE1-CE 3.31Å; E22-K68 WeakPolarHBondContact OE1-CE 3.28Å; E22-K68 IonicContact OE1-NZ 2.73Å; E22-K68 PolarHBondContact OE1-NZ 2.97Å; E22-K68 IonicContact OE2-NZ 3.3Å; E22-K68 PolarHBondContact OE2-NZ 3.39Å; E22-W70 PolarHBondContact OE1-NE1 3.12Å; E22-V89 HydrophobicContact CG-CG1 4.26Å; E22-V89 WeakPolarHBondContact O-CB 3.41Å; E22-S90 WeakPolarHBondContact O-CB 3.24Å; E22-S90 PolarHBondContact O-N 3.29Å
23L97.4Very high86.3Confident2 Ų254 Ų541%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-126.4146.2-179.5-64.5178.8000109.4M21 I67 K68 L69 W70 A91 L177M21-L23 HydrophobicContact CE-CD1 3.71Å; M21-L23 HydrophobicContact CE-CD2 3.5Å; M21-L23 VanDerWaalsContact CE-CD2 3.5Å; M21-L23 HydrophobicContact CE-CG 3.66Å; M21-L23 HydrophobicContact SD-CD1 4.27Å; L23-I67 HydrophobicContact CD1-CG2 3.63Å; L23-I67 HydrophobicContact CG-CG2 4.13Å; L23-K68 PolarHBondContact N-O 2.94Å; L23-L69 HydrophobicContact CB-CG 4.41Å; L23-L69 CarbonylContact O-C 3.55Å; L23-L69 WeakPolarHBondContact O-CA 3.42Å; L23-W70 PolarHBondContact O-N 3.36Å; L23-A91 HydrophobicContact CD2-CB 3.8Å; L23-A91 WeakPolarHBondContact CD2-O 3.37Å; L23-L177 HydrophobicContact CD1-CD1 3.87Å; L23-L177 HydrophobicContact CD1-CD2 3.76Å; L23-L177 HydrophobicContact CD1-CG 4.26Å; L23-L177 HydrophobicContact CD2-CD2 3.89Å; L23-L177 HydrophobicContact CG-CD2 4.5Å
24T98.3Very high87.8Confident0 Ų050.9 Ų50.90%024%0.242CC..EExtended strand (participates in β ladder)trans-122126170.2-69.90000109.3V26 W70 I72 Y85 C86 V89 V93T24-V26 HydrophobicContact CG2-CG1 3.87Å; T24-W70 HydrophobicContact CG2-CB 4.42Å; T24-I72 HydrophobicContact CG2-CG1 3.94Å; T24-Y85 PolarHBondContact OG1-O 2.82Å; T24-C86 VanDerWaalsContact CG2-SG 3.55Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.32Å; T24-V93 PolarHBondContact O-N 3.07Å
25L98.4Very high89.3Confident1 Ų148.4 Ų48.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-104.1115.6-178-176.864.1000109.2K33 F36 V37 L69 W70 I72 V93 M95L25-K33 HydrophobicContact CD1-CG 4.19Å; L25-K33 HydrophobicContact CD2-CB 3.58Å; L25-K33 HydrophobicContact CD2-CG 4.11Å; L25-K33 WeakPolarHBondContact CD2-O 3.24Å; L25-K33 HydrophobicContact CG-CB 3.74Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.72Å; L25-F36 HydrophobicContact CD2-CD1 4.07Å; L25-V37 HydrophobicContact CD2-CG2 3.64Å; L25-L69 HydrophobicContact CB-CD2 3.89Å; L25-L69 HydrophobicContact CD2-CD2 4.23Å; L25-W70 PolarHBondContact N-O 3.08Å; L25-I72 PolarHBondContact O-N 3.41Å; L25-I72 VanDerWaalsContact O-N 3.16Å; L25-V93 WeakPolarHBondContact CA-O 3.41Å; L25-V93 HydrophobicContact CD1-CB 3.63Å; L25-V93 HydrophobicContact CD1-CG1 3.41Å; L25-V93 VanDerWaalsContact CD1-CG1 3.41Å; L25-M95 HydrophobicContact CD1-CB 4.22Å; L25-M95 HydrophobicContact CD1-CE 4.17Å
26V98.6Very high91Very high0 Ų043.2 Ų43.20%019%0.194CC..EExtended strand (participates in β ladder)trans-133.5170-173.9-74.60000110.7T24 K33 I72 W82 I92 V93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.87Å; V26-K33 VanDerWaalsContact C-CD 3.45Å; V26-K33 WeakPolarHBondContact O-CD 3.34Å; V26-I72 HydrophobicContact CG1-CB 4.19Å; V26-I72 HydrophobicContact CG1-CG1 4.15Å; V26-W82 HydrophobicContact CB-CD2 3.96Å; V26-W82 HydrophobicContact CB-CE3 4.25Å; V26-W82 HydrophobicContact CB-CG 4.2Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.89Å; V26-W82 HydrophobicContact CG1-CG 3.59Å; V26-I92 HydrophobicContact CG2-CG2 3.65Å; V26-V93 PolarHBondContact N-O 2.7Å; V26-Y94 HydrophobicContact CG2-CD2 3.79Å; V26-Y94 HydrophobicContact CG2-CE2 4.49Å; V26-Y94 WeakPolarHBondContact O-CA 3.41Å; V26-M95 PolarHBondContact O-N 3.23Å; V26-L114 HydrophobicContact CG2-CD2 3.87Å
27G98.5Very high92.5Very high0 Ų035.7 Ų35.70%016%0.161CC..  trans130.5169.2-173.100000112K33 G74 W82G27-K33 WeakPolarHBondContact O-CE 3.16Å; G27-K33 PolarHBondContact O-NZ 3.2Å; G27-G74 WeakPolarHBondContact O-CA 3.01Å; G27-W82 WeakPolarHBondContact O-CZ2 3.31Å
28L98.3Very high93.8Very high12 Ų1230.9 Ų30.96%0.06314%0.144CC..SBendtrans-60.3158.9-173.4-52.4-172.2000112.8S31 K33 K103 A106 E110L28-S31 PolarHBondContact O-N 2.73Å; L28-S31 PolarHBondContact O-OG 2.89Å; L28-K33 PolarHBondContact O-NZ 2.99Å; L28-K103 HydrophobicContact CD1-CB 4.01Å; L28-K103 HydrophobicContact CD1-CD 4.45Å; L28-A106 HydrophobicContact CD1-CB 4.18Å; L28-E110 HydrophobicContact CD2-CB 4.3Å; L28-E110 HydrophobicContact CD2-CG 3.93Å
29Q96.4Very high95Very high63 Ų6325 Ų2529%0.29412%0.119SC..THydrogen-bonded Turntrans-58.6149.7171.7591746.400110.9S31 G74 Q75Q29-S31 PolarHBondContact O-N 2.7Å; Q29-G74 PolarHBondContact N-O 3.27Å; Q29-Q75 HydrophobicContact CB-CG 4.36Å
30Y95.5Very high95.5Very high128 Ų12822.5 Ų22.550%0.50211%0.108SC..THydrogen-bonded Turntrans66.63.6-177.5-52.8-72.2000117.1G32 P51 K131Y30-G32 PolarHBondContact O-N 3.05Å; Y30-P51 HydrophobicContact CD1-CG 4.15Å; Y30-P51 HydrophobicContact CE1-CG 3.38Å; Y30-P51 HydrophobicContact CE2-CG 4Å; Y30-P51 VanDerWaalsContact OH-CG 3.3Å; Y30-P51 WeakPolarHBondContact OH-CG 3.34Å; Y30-K131 WeakPolarHBondContact O-CE 3.43Å; Y30-K131 PolarHBondContact O-NZ 3.3Å
31S97Very high95.8Very high2 Ų219.6 Ų19.61%0.01410%0.101CC..SBendtrans-70.5-13.7175.766.80000114.8L28 Q29 M95 N130L28-S31 PolarHBondContact O-N 2.73Å; L28-S31 PolarHBondContact O-OG 2.89Å; Q29-S31 PolarHBondContact O-N 2.7Å; S31-M95 VanDerWaalsContact CB-O 3.23Å; S31-M95 WeakPolarHBondContact CB-O 3.32Å; S31-M95 VanDerWaalsContact O-CG 3.27Å; S31-M95 WeakPolarHBondContact O-CG 3.34Å; S31-M95 WeakPolarHBondContact OG-CB 3.45Å; S31-M95 WeakPolarHBondContact OG-CG 3.47Å; S31-M95 PolarHBondContact OG-O 3.23Å; S31-N130 PolarHBondContact O-ND2 3.17Å
32G96.8Very high95.6Very high10 Ų1022.5 Ų22.510%0.10312%0.122CC..SBendtrans100.521.1175.900000115.4Y30 T35 F36Y30-G32 PolarHBondContact O-N 3.05Å; G32-T35 WeakPolarHBondContact O-CB 3.37Å; G32-T35 PolarHBondContact O-N 2.8Å; G32-F36 WeakPolarHBondContact O-CB 3.42Å; G32-F36 PolarHBondContact O-N 3.02Å
33K96.8Very high95.2Very high10 Ų1020.7 Ų20.74%0.04312%0.121CC..Hα-helixtrans-54.3-59.1177.2-66.5-175.3-62.1-65.30113.3L25 V26 G27 L28 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CG 4.19Å; L25-K33 HydrophobicContact CD2-CB 3.58Å; L25-K33 HydrophobicContact CD2-CG 4.11Å; L25-K33 WeakPolarHBondContact CD2-O 3.24Å; L25-K33 HydrophobicContact CG-CB 3.74Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.72Å; V26-K33 VanDerWaalsContact C-CD 3.45Å; V26-K33 WeakPolarHBondContact O-CD 3.34Å; G27-K33 WeakPolarHBondContact O-CE 3.16Å; G27-K33 PolarHBondContact O-NZ 3.2Å; L28-K33 PolarHBondContact O-NZ 2.99Å; K33-T35 PolarHBondContact O-N 3.4Å; K33-F36 WeakPolarHBondContact O-CB 3.42Å; K33-F36 PolarHBondContact O-N 3.44Å; K33-F36 VanDerWaalsContact O-N 3.09Å; K33-V37 WeakPolarHBondContact O-CG2 3.23Å; K33-V37 PolarHBondContact O-N 2.74Å; K33-D71 WeakPolarHBondContact CB-OD1 3.49Å; K33-I72 WeakPolarHBondContact CE-O 3.36Å; K33-M95 HydrophobicContact CD-CB 4.44Å; K33-M95 HydrophobicContact CG-CB 3.58Å; K33-M95 HydrophobicContact CG-CG 4.04Å
34T95.4Very high94.7Very high22 Ų2227 Ų2714%0.13515%0.15CC..Hα-helixtrans-62.3-34.9179.9-45.80000112.2V37 N38 M49 T52 D71T34-V37 PolarHBondContact O-N 3.32Å; T34-N38 PolarHBondContact O-N 3.44Å; T34-M49 HydrophobicContact CG2-CE 4.01Å; T34-M49 HydrophobicContact CG2-CG 4.49Å; T34-M49 HydrophobicContact CG2-SD 3.59Å; T34-M49 VanDerWaalsContact CG2-SD 3.59Å; T34-T52 PolarHBondContact OG1-OG1 2.84Å; T34-D71 WeakPolarHBondContact CA-OD2 3.35Å; T34-D71 WeakPolarHBondContact CB-OD2 3.33Å; T34-D71 PolarHBondContact OG1-OD2 3.41Å
35T96.2Very high94Very high14 Ų1430.6 Ų30.69%0.08617%0.166CC..Hα-helixtrans-61-48.4172.9-500000111G32 K33 V37 N38 V39 F45 C164G32-T35 WeakPolarHBondContact O-CB 3.37Å; G32-T35 PolarHBondContact O-N 2.8Å; K33-T35 PolarHBondContact O-N 3.4Å; T35-V37 VanDerWaalsContact C-N 3.31Å; T35-V37 PolarHBondContact O-N 3.2Å; T35-N38 WeakPolarHBondContact O-CB 3.36Å; T35-N38 PolarHBondContact O-N 2.78Å; T35-N38 VanDerWaalsContact O-N 3.12Å; T35-V39 HydrophobicContact CG2-CG2 4.39Å; T35-V39 VanDerWaalsContact O-CG2 3.31Å; T35-V39 WeakPolarHBondContact O-CG2 3.49Å; T35-V39 PolarHBondContact O-N 3.49Å; T35-F45 HydrophobicContact CG2-CD2 3.42Å; T35-F45 VanDerWaalsContact CG2-CD2 3.42Å; T35-F45 HydrophobicContact CG2-CE2 3.56Å; T35-C164 HydrophobicContact CG2-CB 3.71Å
36F96.7Very high93.3Very high1 Ų134.6 Ų34.60%0.00419%0.187CC..Hα-helixtrans-56-46.9175.2179.5-102.3000111.1L25 G32 K33 N38 V39 I40 M95 L128 I162 I170 T173 L177L25-F36 HydrophobicContact CD2-CD1 4.07Å; G32-F36 WeakPolarHBondContact O-CB 3.42Å; G32-F36 PolarHBondContact O-N 3.02Å; K33-F36 WeakPolarHBondContact O-CB 3.42Å; K33-F36 PolarHBondContact O-N 3.44Å; K33-F36 VanDerWaalsContact O-N 3.09Å; F36-N38 VanDerWaalsContact C-N 3.32Å; F36-N38 PolarHBondContact O-N 3.09Å; F36-V39 PolarHBondContact O-N 3.49Å; F36-I40 HydrophobicContact CD1-CD1 4.4Å; F36-I40 HydrophobicContact CD1-CG2 4.43Å; F36-I40 HydrophobicContact CD2-CG2 4.24Å; F36-I40 HydrophobicContact CE1-CD1 4.01Å; F36-I40 HydrophobicContact CE1-CG2 4.05Å; F36-I40 HydrophobicContact CE2-CG2 3.84Å; F36-I40 HydrophobicContact CZ-CG2 3.73Å; F36-I40 WeakPolarHBondContact O-CG1 3.32Å; F36-I40 WeakPolarHBondContact O-CG2 3.16Å; F36-I40 PolarHBondContact O-N 3.21Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.33Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.77Å; F36-L128 HydrophobicContact CD2-CD1 4.34Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 3.94Å; F36-L128 HydrophobicContact CZ-CD1 3.98Å; F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.25Å; F36-I170 HydrophobicContact CD2-CD1 4.18Å; F36-I170 HydrophobicContact CE2-CD1 4.1Å; F36-T173 HydrophobicContact CE2-CG2 3.87Å; F36-T173 HydrophobicContact CZ-CG2 3.7Å; F36-L177 HydrophobicContact CZ-CD1 4.48Å
37V94.8Very high92.3Very high1 Ų141.4 Ų41.41%0.00622%0.219CC..Hα-helixtrans-57-43.6176-179.70000112.2L25 K33 T34 T35 I40 A41 R58 I60 L69 D71L25-V37 HydrophobicContact CD2-CG2 3.64Å; K33-V37 WeakPolarHBondContact O-CG2 3.23Å; K33-V37 PolarHBondContact O-N 2.74Å; T34-V37 PolarHBondContact O-N 3.32Å; T35-V37 VanDerWaalsContact C-N 3.31Å; T35-V37 PolarHBondContact O-N 3.2Å; V37-I40 WeakPolarHBondContact O-CG1 3.28Å; V37-A41 WeakPolarHBondContact O-CB 2.98Å; V37-A41 PolarHBondContact O-N 3.34Å; V37-R58 HydrophobicContact CG1-CB 4.17Å; V37-R58 HydrophobicContact CG1-CG 4.05Å; V37-I60 HydrophobicContact CG1-CD1 4.43Å; V37-L69 HydrophobicContact CG2-CD1 3.95Å; V37-L69 HydrophobicContact CG2-CD2 3.37Å; V37-L69 HydrophobicContact CG2-CG 4.31Å; V37-D71 HydrophobicContact CG2-CB 4.18Å
38N93.3Very high91.4Very high24 Ų2448.2 Ų48.213%0.12826%0.255CS..Hα-helixtrans-65.2-45.5177.1-70.1-21.5000111.8T34 T35 F36 I40 A41 S42 G43 M49 R58T34-N38 PolarHBondContact O-N 3.44Å; T35-N38 WeakPolarHBondContact O-CB 3.36Å; T35-N38 PolarHBondContact O-N 2.78Å; T35-N38 VanDerWaalsContact O-N 3.12Å; F36-N38 VanDerWaalsContact C-N 3.32Å; F36-N38 PolarHBondContact O-N 3.09Å; N38-I40 PolarHBondContact O-N 3.19Å; N38-A41 PolarHBondContact O-N 3.31Å; N38-S42 PolarHBondContact O-N 3.45Å; N38-S42 PolarHBondContact O-OG 2.96Å; N38-S42 VanDerWaalsContact O-OG 3.13Å; N38-G43 PolarHBondContact O-N 2.89Å; N38-M49 WeakPolarHBondContact ND2-CE 3.45Å; N38-R58 VanDerWaalsContact OD1-CZ 3.24Å; N38-R58 PolarHBondContact OD1-NH1 3.27Å; N38-R58 PolarHBondContact OD1-NH2 2.92Å
39V94Very high90.7Very high8 Ų850.4 Ų50.45%0.04827%0.266CS..Hα-helixtrans-61.4-45.9-179.91710000110.6T35 F36 A41 G43 C164 K167 I170T35-V39 HydrophobicContact CG2-CG2 4.39Å; T35-V39 VanDerWaalsContact O-CG2 3.31Å; T35-V39 WeakPolarHBondContact O-CG2 3.49Å; T35-V39 PolarHBondContact O-N 3.49Å; F36-V39 PolarHBondContact O-N 3.49Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.14Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.04Å; V39-C164 HydrophobicContact CG2-CB 4.15Å; V39-C164 VanDerWaalsContact CG2-O 3.31Å; V39-C164 WeakPolarHBondContact CG2-O 3.48Å; V39-K167 HydrophobicContact CG1-CG 4.32Å; V39-I170 HydrophobicContact CG1-CG1 4.26Å; V39-I170 HydrophobicContact CG1-CG2 4.41Å
40I91.8Very high90.1Very high2 Ų254.1 Ų54.11%0.0129%0.286CS..Hα-helixtrans-70.7-31.7177.768169.2000111.9F36 V37 N38 I60 K62 L69 I170 L174F36-I40 HydrophobicContact CD1-CD1 4.4Å; F36-I40 HydrophobicContact CD1-CG2 4.43Å; F36-I40 HydrophobicContact CD2-CG2 4.24Å; F36-I40 HydrophobicContact CE1-CD1 4.01Å; F36-I40 HydrophobicContact CE1-CG2 4.05Å; F36-I40 HydrophobicContact CE2-CG2 3.84Å; F36-I40 HydrophobicContact CZ-CG2 3.73Å; F36-I40 WeakPolarHBondContact O-CG1 3.32Å; F36-I40 WeakPolarHBondContact O-CG2 3.16Å; F36-I40 PolarHBondContact O-N 3.21Å; V37-I40 WeakPolarHBondContact O-CG1 3.28Å; N38-I40 PolarHBondContact O-N 3.19Å; I40-I60 HydrophobicContact CD1-CD1 3.51Å; I40-I60 HydrophobicContact CG1-CD1 3.62Å; I40-K62 WeakPolarHBondContact O-CE 3.42Å; I40-K62 PolarHBondContact O-NZ 3.06Å; I40-L69 HydrophobicContact CD1-CD1 3.69Å; I40-I170 HydrophobicContact CG2-CG2 4.22Å; I40-L174 HydrophobicContact CB-CD2 4.32Å; I40-L174 HydrophobicContact CG2-CD1 4.49Å; I40-L174 HydrophobicContact CG2-CD2 3.99Å; I40-L174 HydrophobicContact CG2-CG 4.43Å
41A90Very high89.5Confident41 Ų4149.3 Ų49.334%0.33927%0.271SS..Hα-helixtrans-76-52.1-177.900000113V37 N38 V39 I60V37-A41 WeakPolarHBondContact O-CB 2.98Å; V37-A41 PolarHBondContact O-N 3.34Å; N38-A41 PolarHBondContact O-N 3.31Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-A41 PolarHBondContact O-N 3.14Å; A41-I60 HydrophobicContact CB-CD1 4.07Å; A41-I60 HydrophobicContact CB-CG1 3.86Å
42S87.7Confident88.8Confident66 Ų6650.6 Ų50.646%0.46228%0.279SS..Hα-helixtrans-121.8-4.9-171.662.30000114N38 Q44N38-S42 PolarHBondContact O-N 3.45Å; N38-S42 PolarHBondContact O-OG 2.96Å; N38-S42 VanDerWaalsContact O-OG 3.13Å; S42-Q44 PolarHBondContact O-N 3.26Å; S42-Q44 WeakPolarHBondContact OG-CB 3.19Å; S42-Q44 PolarHBondContact OG-N 3.26Å
43G86.4Confident88.2Confident27 Ų2755.1 Ų55.128%0.27830%0.304SS..SBendtrans69.88.1-173.100000113.4N38 V39 K167N38-G43 PolarHBondContact O-N 2.89Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.04Å; G43-K167 WeakPolarHBondContact O-CE 3.44Å; G43-K167 PolarHBondContact O-NZ 3.28Å
44Q86.9Confident87.9Confident135 Ų13555.3 Ų55.363%0.63131%0.309SS*.  trans-98.1133.7-178.1-64.9176.5-1700110.7S42S42-Q44 PolarHBondContact O-N 3.26Å; S42-Q44 WeakPolarHBondContact OG-CB 3.19Å; S42-Q44 PolarHBondContact OG-N 3.26Å
45F84.8Confident87.8Confident76 Ų7658.8 Ų58.833%0.33332%0.322SS..  trans-100.4139169174.5-105.4000108.7T35 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.42Å; T35-F45 VanDerWaalsContact CG2-CD2 3.42Å; T35-F45 HydrophobicContact CG2-CE2 3.56Å; F45-E47 HydrophobicContact CD1-CG 4.09Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.27Å; F45-E47 HydrophobicContact CZ-CG 3.94Å; F45-K165 HydrophobicContact CD1-CG 4.12Å; F45-K165 HydrophobicContact CD2-CB 4.24Å; F45-K165 HydrophobicContact CE1-CB 4.16Å; F45-K165 HydrophobicContact CE1-CD 4.18Å; F45-K165 HydrophobicContact CE1-CG 3.7Å; F45-K165 HydrophobicContact CE2-CB 3.88Å; F45-K165 HydrophobicContact CE2-CG 4.34Å; F45-K165 HydrophobicContact CZ-CB 3.85Å; F45-K165 HydrophobicContact CZ-CD 4.23Å; F45-K165 HydrophobicContact CZ-CG 3.86Å
46N84Confident87.6Confident85 Ų8561.1 Ų61.146%0.45533%0.334SS..  trans-127.3122.5173-175.9-3000107.7D48N46-D48 PolarHBondContact OD1-N 3.28Å; N46-D48 VanDerWaalsContact OD1-N 3.12Å
47E76.9Confident87.5Confident143 Ų14364.6 Ų64.667%0.66835%0.351SS*.SBendtrans-67.1-37.1-178.8-74.3-177.2174.800111.8F45 M49F45-E47 HydrophobicContact CD1-CG 4.09Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.27Å; F45-E47 HydrophobicContact CZ-CG 3.94Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 2.92Å
48D79.4Confident87.4Confident142 Ų14268.5 Ų68.576%0.75937%0.366SS*.  trans-89.757.2-172-65.3-43.8000112.9N46N46-D48 PolarHBondContact OD1-N 3.28Å; N46-D48 VanDerWaalsContact OD1-N 3.12Å
49M84Confident87.4Confident58 Ų5874 Ų7429%0.28639%0.389SS..PPolyproline II helixtrans-84.5121.2178.8-167.15962.900112.7T34 N38 E47T34-M49 HydrophobicContact CG2-CE 4.01Å; T34-M49 HydrophobicContact CG2-CG 4.49Å; T34-M49 HydrophobicContact CG2-SD 3.59Å; T34-M49 VanDerWaalsContact CG2-SD 3.59Å; N38-M49 WeakPolarHBondContact ND2-CE 3.45Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 2.92Å
50I83.4Confident87.2Confident141 Ų14174.1 Ų74.172%0.72339%0.389SS*.PPolyproline II helixtrans-88.8143.3174.6-59.2170.8000109.6T52I50-T52 PolarHBondContact O-N 2.65Å
51P82Confident87Confident28 Ų2878 Ų7818%0.18241%0.413CS..PPolyproline II helixtrans-55.1131.3177.2-28.836.3000113.9Y30 V53Y30-P51 HydrophobicContact CD1-CG 4.15Å; Y30-P51 HydrophobicContact CE1-CG 3.38Å; Y30-P51 HydrophobicContact CE2-CG 4Å; Y30-P51 VanDerWaalsContact OH-CG 3.3Å; Y30-P51 WeakPolarHBondContact OH-CG 3.34Å; P51-V53 PolarHBondContact O-N 2.79Å
52T84.1Confident86.4Confident28 Ų2879.8 Ų79.817%0.17241%0.413CS..PPolyproline II helixtrans-60131.1176.7-46.60000111.9T34 I50T34-T52 PolarHBondContact OG1-OG1 2.84Å; I50-T52 PolarHBondContact O-N 2.65Å
53V84Confident86Confident106 Ų10680.2 Ų80.264%0.64243%0.428SS*.PPolyproline II helixtrans-91.8118.3171.21760000108.2P51 F55 F78P51-V53 PolarHBondContact O-N 2.79Å; V53-F55 PolarHBondContact O-N 2.83Å; V53-F78 HydrophobicContact CB-CZ 4.39Å; V53-F78 HydrophobicContact CG1-CZ 3.86Å
54G90.9Very high85.7Confident13 Ų1382.7 Ų82.713%0.13444%0.435CS..SBendtrans75-112.2179.100000112.8G73 F78G54-G73 PolarHBondContact O-N 2.81Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å
55F91.6Very high85.5Confident96 Ų9676.3 Ų76.342%0.42141%0.405SS..EExtended strand (participates in β ladder)trans-149.1156-178.162.8-88.9000111.2V53 W70 D71 I72 Y85V53-F55 PolarHBondContact O-N 2.83Å; F55-W70 AromaticContact CD2-CE3 3.89Å; F55-W70 HydrophobicContact CD2-CE3 3.89Å; F55-W70 AromaticContact CD2-CZ3 3.6Å; F55-W70 HydrophobicContact CD2-CZ3 3.6Å; F55-W70 HydrophobicContact CE2-CE3 4.47Å; F55-W70 AromaticContact CE2-CZ3 3.74Å; F55-W70 HydrophobicContact CE2-CZ3 3.74Å; F55-D71 CarbonylContact C-O 3.54Å; F55-D71 VanDerWaalsContact CA-O 3.28Å; F55-D71 WeakPolarHBondContact CA-O 3.36Å; F55-I72 HydrophobicContact CB-CD1 3.51Å; F55-Y85 HydrophobicContact CD1-CE2 4.22Å; F55-Y85 AromaticContact CD1-CZ 3.76Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.32Å; F55-Y85 HydrophobicContact CD2-CE1 4.05Å; F55-Y85 AromaticContact CE1-CZ 3.96Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.46Å; F55-Y85 HydrophobicContact CE2-CE1 4.32Å; F55-Y85 HydrophobicContact CG-CE1 4.17Å; F55-Y85 HydrophobicContact CG-CE2 4.45Å; F55-Y85 AromaticContact CG-CZ 3.84Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.28Å
56N93.1Very high85.8Confident63 Ų6373.8 Ų73.834%0.33740%0.396SS..EExtended strand (participates in β ladder)trans-135.6138172.9-178.557.7000110.7R58 D71N56-R58 WeakPolarHBondContact ND2-CG 3.48Å; N56-R58 PolarHBondContact ND2-NE 2.91Å; N56-D71 PolarHBondContact N-O 2.76Å; N56-D71 PolarHBondContact O-N 3.4Å
57M93.9Very high86.2Confident73 Ų7369.8 Ų69.836%0.3638%0.375SS..EExtended strand (participates in β ladder)trans-103.8131.1174.7-169.3-14562.800109.9K59 K68 L69 W70M57-K59 HydrophobicContact CE-CG 4.15Å; M57-K68 HydrophobicContact CG-CG 4.12Å; M57-K68 HydrophobicContact SD-CD 4.36Å; M57-K68 HydrophobicContact SD-CG 4.07Å; M57-L69 WeakPolarHBondContact CA-O 3.42Å; M57-W70 HydrophobicContact CB-CD2 4.21Å; M57-W70 HydrophobicContact CB-CE3 3.7Å; M57-W70 HydrophobicContact CB-CH2 3.91Å; M57-W70 HydrophobicContact CB-CZ2 4.39Å; M57-W70 HydrophobicContact CB-CZ3 3.55Å; M57-W70 HydrophobicContact CG-CD2 4.09Å; M57-W70 HydrophobicContact CG-CE3 4.1Å; M57-W70 HydrophobicContact CG-CH2 4Å; M57-W70 HydrophobicContact CG-CZ2 3.99Å; M57-W70 HydrophobicContact CG-CZ3 4.07Å; M57-W70 HydrophobicContact SD-CH2 4.43Å; M57-W70 HydrophobicContact SD-CZ2 4.37Å
58R93.2Very high87Confident83 Ų8365.8 Ų65.831%0.31336%0.355SS..EExtended strand (participates in β ladder)trans-126.4142.2168.2-63.1-151.2-172.8161.73111.4V37 N38 N56 L69V37-R58 HydrophobicContact CG1-CB 4.17Å; V37-R58 HydrophobicContact CG1-CG 4.05Å; N38-R58 VanDerWaalsContact OD1-CZ 3.24Å; N38-R58 PolarHBondContact OD1-NH1 3.27Å; N38-R58 PolarHBondContact OD1-NH2 2.92Å; N56-R58 WeakPolarHBondContact ND2-CG 3.48Å; N56-R58 PolarHBondContact ND2-NE 2.91Å; R58-L69 PolarHBondContact N-O 2.84Å; R58-L69 PolarHBondContact O-N 3.15Å
59K92.6Very high87.8Confident140 Ų14059 Ų5961%0.60932%0.319SS*.EExtended strand (participates in β ladder)trans-105.4126.7168.7-69.4-173.1179.1-173.60108.8M57 I67 K68M57-K59 HydrophobicContact CE-CG 4.15Å; K59-I67 CarbonylContact C-O 3.6Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.32Å; K59-K68 HydrophobicContact CG-CB 4.47Å; K59-K68 HydrophobicContact CG-CG 4.45Å
60I90.7Very high88.5Confident10 Ų1058.3 Ų58.35%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-125.4124.1-178.1-60.8152.2000107.2V37 I40 A41 K62 I67V37-I60 HydrophobicContact CG1-CD1 4.43Å; I40-I60 HydrophobicContact CD1-CD1 3.51Å; I40-I60 HydrophobicContact CG1-CD1 3.62Å; A41-I60 HydrophobicContact CB-CD1 4.07Å; A41-I60 HydrophobicContact CB-CG1 3.86Å; I60-K62 HydrophobicContact CG2-CG 4.12Å; I60-I67 HydrophobicContact CB-CB 4.48Å; I60-I67 PolarHBondContact N-O 3.04Å; I60-I67 PolarHBondContact O-N 2.88Å
61T86.5Confident89.1Confident84 Ų8451.7 Ų51.752%0.51528%0.279SS..EExtended strand (participates in β ladder)trans-99.7122.9174.6-54.20000109V65T61-V65 WeakPolarHBondContact CA-O 3.36Å
62K78.3Confident89.8Confident78 Ų7850.4 Ų50.434%0.33927%0.27SS..EExtended strand (participates in β ladder)trans-126.3112.2173.2-69.7-70.2-175.5176.10108I40 I60 N64 V65I40-K62 WeakPolarHBondContact O-CE 3.42Å; I40-K62 PolarHBondContact O-NZ 3.06Å; I60-K62 HydrophobicContact CG2-CG 4.12Å; K62-N64 PolarHBondContact O-N 3.47Å; K62-V65 PolarHBondContact N-O 2.94Å; K62-V65 PolarHBondContact O-N 3.08Å
63G78.9Confident90.3Very high75 Ų7549 Ų4977%0.77326%0.262SS*.THydrogen-bonded Turntrans59.5-125.5-173.800000111.7
64N79.8Confident90.9Very high80 Ų8044.1 Ų44.143%0.42823%0.233SC..THydrogen-bonded Turntrans-88.5-1176.766.2-33000113.7K18 E19 K62K18-N64 CarbonylContact C-O 3.6Å; K18-N64 WeakPolarHBondContact CA-O 3.24Å; K18-N64 WeakPolarHBondContact CB-O 3.31Å; E19-N64 PolarHBondContact N-O 3.2Å; K62-N64 PolarHBondContact O-N 3.47Å
65V83.3Confident91.1Very high1 Ų144.9 Ų44.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-102.8128.3-177.5-169.40000110.9E19 M21 T61 K62 I67 I178E19-V65 HydrophobicContact CB-CG1 4.46Å; E19-V65 HydrophobicContact CB-CG2 4.22Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.3Å; M21-V65 HydrophobicContact CG-CG1 4.03Å; M21-V65 HydrophobicContact SD-CG1 4.05Å; T61-V65 WeakPolarHBondContact CA-O 3.36Å; K62-V65 PolarHBondContact N-O 2.94Å; K62-V65 PolarHBondContact O-N 3.08Å; V65-I67 HydrophobicContact CG1-CG1 4.16Å; V65-I178 HydrophobicContact CG2-CG1 4.3Å; V65-I178 HydrophobicContact CG2-CG2 4Å
66T90.3Very high91.3Very high23 Ų2344.5 Ų44.514%0.14124%0.24CC..EExtended strand (participates in β ladder)trans-101.5113.5168.3-57.40000109.8E19 E20 M21E19-T66 PolarHBondContact O-N 2.86Å; E20-T66 WeakPolarHBondContact CA-O 3.37Å; M21-T66 PolarHBondContact N-O 3.1Å
67I93.1Very high91.4Very high1 Ų149.3 Ų49.31%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-96113.9-179.3-46.9-174.5000108.7M21 L23 K59 I60 V65M21-I67 HydrophobicContact CG-CB 3.96Å; M21-I67 HydrophobicContact CG-CG1 3.77Å; M21-I67 HydrophobicContact CG-CG2 3.84Å; M21-I67 WeakPolarHBondContact O-CA 3.45Å; M21-I67 HydrophobicContact SD-CB 4.3Å; M21-I67 HydrophobicContact SD-CD1 3.86Å; M21-I67 HydrophobicContact SD-CG1 3.64Å; M21-I67 HydrophobicContact SD-CG2 4.04Å; L23-I67 HydrophobicContact CD1-CG2 3.63Å; L23-I67 HydrophobicContact CG-CG2 4.13Å; K59-I67 CarbonylContact C-O 3.6Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.32Å; I60-I67 HydrophobicContact CB-CB 4.48Å; I60-I67 PolarHBondContact N-O 3.04Å; I60-I67 PolarHBondContact O-N 2.88Å; V65-I67 HydrophobicContact CG1-CG1 4.16Å
68K94.6Very high91.5Very high58 Ų5847 Ų4725%0.25224%0.241SC..EExtended strand (participates in β ladder)trans-92.4109.5168.2-177.6-174.1172.3-154.10108.3M21 E22 L23 M57 K59M21-K68 PolarHBondContact O-N 3.3Å; E22-K68 CarbonylContact C-O 3.54Å; E22-K68 WeakPolarHBondContact CA-O 3.49Å; E22-K68 VanDerWaalsContact CD-NZ 3.33Å; E22-K68 HydrophobicContact CG-CB 4.44Å; E22-K68 HydrophobicContact CG-CD 4.17Å; E22-K68 HydrophobicContact CG-CG 4.43Å; E22-K68 VanDerWaalsContact OE1-CE 3.31Å; E22-K68 WeakPolarHBondContact OE1-CE 3.28Å; E22-K68 IonicContact OE1-NZ 2.73Å; E22-K68 PolarHBondContact OE1-NZ 2.97Å; E22-K68 IonicContact OE2-NZ 3.3Å; E22-K68 PolarHBondContact OE2-NZ 3.39Å; L23-K68 PolarHBondContact N-O 2.94Å; M57-K68 HydrophobicContact CG-CG 4.12Å; M57-K68 HydrophobicContact SD-CD 4.36Å; M57-K68 HydrophobicContact SD-CG 4.07Å; K59-K68 HydrophobicContact CG-CB 4.47Å; K59-K68 HydrophobicContact CG-CG 4.45Å
69L96.5Very high91.6Very high1 Ų145.2 Ų45.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-112.4125-174.6-166.9161.1000110.6L23 L25 V37 I40 M57 R58 D71L23-L69 HydrophobicContact CB-CG 4.41Å; L23-L69 CarbonylContact O-C 3.55Å; L23-L69 WeakPolarHBondContact O-CA 3.42Å; L25-L69 HydrophobicContact CB-CD2 3.89Å; L25-L69 HydrophobicContact CD2-CD2 4.23Å; V37-L69 HydrophobicContact CG2-CD1 3.95Å; V37-L69 HydrophobicContact CG2-CD2 3.37Å; V37-L69 HydrophobicContact CG2-CG 4.31Å; I40-L69 HydrophobicContact CD1-CD1 3.69Å; M57-L69 WeakPolarHBondContact CA-O 3.42Å; R58-L69 PolarHBondContact N-O 2.84Å; R58-L69 PolarHBondContact O-N 3.15Å; L69-D71 HydrophobicContact CD2-CB 4.23Å
70W97.4Very high91.7Very high43 Ų4343.4 Ų43.416%0.16324%0.24CC..EExtended strand (participates in β ladder)trans-95.7110.4169.5-65.6101000110.8E22 L23 T24 L25 F55 M57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 3.12Å; L23-W70 PolarHBondContact O-N 3.36Å; T24-W70 HydrophobicContact CG2-CB 4.42Å; L25-W70 PolarHBondContact N-O 3.08Å; F55-W70 AromaticContact CD2-CE3 3.89Å; F55-W70 HydrophobicContact CD2-CE3 3.89Å; F55-W70 AromaticContact CD2-CZ3 3.6Å; F55-W70 HydrophobicContact CD2-CZ3 3.6Å; F55-W70 HydrophobicContact CE2-CE3 4.47Å; F55-W70 AromaticContact CE2-CZ3 3.74Å; F55-W70 HydrophobicContact CE2-CZ3 3.74Å; M57-W70 HydrophobicContact CB-CD2 4.21Å; M57-W70 HydrophobicContact CB-CE3 3.7Å; M57-W70 HydrophobicContact CB-CH2 3.91Å; M57-W70 HydrophobicContact CB-CZ2 4.39Å; M57-W70 HydrophobicContact CB-CZ3 3.55Å; M57-W70 HydrophobicContact CG-CD2 4.09Å; M57-W70 HydrophobicContact CG-CE3 4.1Å; M57-W70 HydrophobicContact CG-CH2 4Å; M57-W70 HydrophobicContact CG-CZ2 3.99Å; M57-W70 HydrophobicContact CG-CZ3 4.07Å; M57-W70 HydrophobicContact SD-CH2 4.43Å; M57-W70 HydrophobicContact SD-CZ2 4.37Å; W70-I72 HydrophobicContact CB-CD1 3.95Å; W70-Y85 HydrophobicContact CB-CD1 4.44Å; W70-Y85 AromaticContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CE1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.82Å; W70-Y85 HydrophobicContact CE3-CD1 3.82Å; W70-Y85 AromaticContact CE3-CE1 3.71Å; W70-Y85 HydrophobicContact CE3-CE1 3.71Å; W70-Y85 HydrophobicContact CG-CD1 4.1Å; W70-Y85 HydrophobicContact CH2-CE1 4.31Å; W70-Y85 HydrophobicContact CZ3-CD1 4.34Å; W70-Y85 AromaticContact CZ3-CE1 3.8Å; W70-Y85 HydrophobicContact CZ3-CE1 3.8Å
71D96.9Very high91.8Very high2 Ų245.2 Ų45.21%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-90.5112172.8179.821.7000109K33 T34 V37 F55 N56 L69K33-D71 WeakPolarHBondContact CB-OD1 3.49Å; T34-D71 WeakPolarHBondContact CA-OD2 3.35Å; T34-D71 WeakPolarHBondContact CB-OD2 3.33Å; T34-D71 PolarHBondContact OG1-OD2 3.41Å; V37-D71 HydrophobicContact CG2-CB 4.18Å; F55-D71 CarbonylContact C-O 3.54Å; F55-D71 VanDerWaalsContact CA-O 3.28Å; F55-D71 WeakPolarHBondContact CA-O 3.36Å; N56-D71 PolarHBondContact N-O 2.76Å; N56-D71 PolarHBondContact O-N 3.4Å; L69-D71 HydrophobicContact CD2-CB 4.23Å
72I96.4Very high92.4Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-105.4139.1-175.4-44.1-60.1000110.5T24 L25 V26 K33 F55 W70 G74 Y85T24-I72 HydrophobicContact CG2-CG1 3.94Å; L25-I72 PolarHBondContact O-N 3.41Å; L25-I72 VanDerWaalsContact O-N 3.16Å; V26-I72 HydrophobicContact CG1-CB 4.19Å; V26-I72 HydrophobicContact CG1-CG1 4.15Å; K33-I72 WeakPolarHBondContact CE-O 3.36Å; F55-I72 HydrophobicContact CB-CD1 3.51Å; W70-I72 HydrophobicContact CB-CD1 3.95Å; I72-G74 PolarHBondContact O-N 3.05Å; I72-Y85 HydrophobicContact CD1-CD1 3.95Å; I72-Y85 HydrophobicContact CD1-CD2 3.93Å; I72-Y85 HydrophobicContact CD1-CG 3.62Å; I72-Y85 HydrophobicContact CG1-CG 4.46Å
73G95Very high93.3Very high0 Ų039.7 Ų39.70%022%0.218CC..  trans-55.8135.9176.200000112.7G54 F78 W82G54-G73 PolarHBondContact O-N 2.81Å; G73-F78 WeakPolarHBondContact O-CB 3.47Å; G73-W82 PolarHBondContact O-NE1 3.09Å; G73-W82 VanDerWaalsContact O-NE1 3.09Å
74G96.1Very high94.1Very high3 Ų344.6 Ų44.63%0.03121%0.213CC..  trans-95.1-0.1-179.800000115.4G27 Q29 I72 R79G27-G74 WeakPolarHBondContact O-CA 3.01Å; Q29-G74 PolarHBondContact N-O 3.27Å; I72-G74 PolarHBondContact O-N 3.05Å; G74-R79 PolarHBondContact O-NE 2.88Å; G74-R79 PolarHBondContact O-NH2 3.41Å; G74-R79 VanDerWaalsContact O-NH2 3.09Å
75Q95.2Very high95Very high29 Ų2942.2 Ų42.214%0.13620%0.198CC..SBendtrans-66.9145.5173.7-72.9167.451.700109.9Q29 R77 F78 R79Q29-Q75 HydrophobicContact CB-CG 4.36Å; Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.12Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.27Å; Q75-F78 HydrophobicContact CB-CD2 3.85Å; Q75-F78 HydrophobicContact CB-CE2 4.22Å; Q75-F78 PolarHBondContact O-N 3.26Å; Q75-R79 WeakPolarHBondContact O-CG 3.28Å
76P95.6Very high95.7Very high87 Ų8742.1 Ų42.157%0.56520%0.198SC*.Hα-helixtrans-47.4-43.4-178.3-30.935.9000114.3F78 R79P76-F78 PolarHBondContact O-N 2.84Å; P76-R79 PolarHBondContact O-N 3.3Å
77R95.1Very high95.9Very high165 Ų16547 Ų4762%0.62321%0.214SC*.Hα-helixtrans-60.1-17.817963.1175.6165.5-179.9-2.4115.7Q75Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.12Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.27Å
78F95.3Very high95.9Very high24 Ų2449.9 Ų49.911%0.10524%0.244CC..Hα-helixtrans-106-10.3-178.7-58.7-49.1000113.5V53 G54 G73 Q75 P76 S80 M81V53-F78 HydrophobicContact CB-CZ 4.39Å; V53-F78 HydrophobicContact CG1-CZ 3.86Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å; G73-F78 WeakPolarHBondContact O-CB 3.47Å; Q75-F78 HydrophobicContact CB-CD2 3.85Å; Q75-F78 HydrophobicContact CB-CE2 4.22Å; Q75-F78 PolarHBondContact O-N 3.26Å; P76-F78 PolarHBondContact O-N 2.84Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å; F78-M81 HydrophobicContact CB-CE 3.7Å; F78-M81 HydrophobicContact CD1-CE 3.58Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.4Å; F78-M81 PolarHBondContact O-N 3.35Å; F78-M81 VanDerWaalsContact O-N 3.08Å
79R96.5Very high95.9Very high46 Ų4647.4 Ų47.417%0.17423%0.233CC..Hα-helixtrans-67.8-29.2-174-57-170.7-172.2154.42.5113.4G74 Q75 P76 M81 W82 E110G74-R79 PolarHBondContact O-NE 2.88Å; G74-R79 PolarHBondContact O-NH2 3.41Å; G74-R79 VanDerWaalsContact O-NH2 3.09Å; Q75-R79 WeakPolarHBondContact O-CG 3.28Å; P76-R79 PolarHBondContact O-N 3.3Å; R79-M81 PolarHBondContact O-N 3.03Å; R79-M81 VanDerWaalsContact O-N 3.12Å; R79-W82 HydrophobicContact CB-CD2 4.18Å; R79-W82 HydrophobicContact CB-CZ2 4.22Å; R79-W82 HydrophobicContact CG-CD2 4.46Å; R79-W82 HydrophobicContact CG-CH2 4.04Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.48Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.12Å; R79-E110 VanDerWaalsContact CD-CD 3.4Å; R79-E110 VanDerWaalsContact CD-OE1 3.24Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 2.71Å; R79-E110 IonicContact NE-OE1 2.99Å; R79-E110 IonicContact NH1-OE1 2.66Å; R79-E110 PolarHBondContact NH1-OE1 2.81Å
80S94.1Very high95.9Very high102 Ų10247.9 Ų47.971%0.71324%0.237SC*.THydrogen-bonded Turntrans-60.9-20.4173.558.80000113.5F78F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å
81M94.2Very high95.9Very high48 Ų4845.9 Ų45.924%0.23623%0.229CC..THydrogen-bonded Turntrans-83-18.3176.9-59.4-172.9-60.800113F78 R79 E83 R84 Y85F78-M81 HydrophobicContact CB-CE 3.7Å; F78-M81 HydrophobicContact CD1-CE 3.58Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.4Å; F78-M81 PolarHBondContact O-N 3.35Å; F78-M81 VanDerWaalsContact O-N 3.08Å; R79-M81 PolarHBondContact O-N 3.03Å; R79-M81 VanDerWaalsContact O-N 3.12Å; M81-E83 VanDerWaalsContact C-N 3.3Å; M81-E83 PolarHBondContact O-N 3.19Å; M81-R84 WeakPolarHBondContact O-CB 3.22Å; M81-R84 PolarHBondContact O-N 2.83Å; M81-Y85 HydrophobicContact CB-CD2 4.24Å; M81-Y85 HydrophobicContact CB-CE2 4.22Å; M81-Y85 WeakPolarHBondContact O-CD2 3.4Å; M81-Y85 PolarHBondContact O-N 2.88Å
82W97.9Very high96Very high3 Ų345.8 Ų45.81%0.01123%0.228CC..Hα-helixtrans-54-47.3-173.3-68.50.7000112V26 G27 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 3.96Å; V26-W82 HydrophobicContact CB-CE3 4.25Å; V26-W82 HydrophobicContact CB-CG 4.2Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.89Å; V26-W82 HydrophobicContact CG1-CG 3.59Å; G27-W82 WeakPolarHBondContact O-CZ2 3.31Å; G73-W82 PolarHBondContact O-NE1 3.09Å; G73-W82 VanDerWaalsContact O-NE1 3.09Å; R79-W82 HydrophobicContact CB-CD2 4.18Å; R79-W82 HydrophobicContact CB-CZ2 4.22Å; R79-W82 HydrophobicContact CG-CD2 4.46Å; R79-W82 HydrophobicContact CG-CH2 4.04Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.48Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.12Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 2.88Å; W82-Y85 PolarHBondContact O-N 2.8Å; W82-Y85 VanDerWaalsContact O-N 3.14Å; W82-C86 WeakPolarHBondContact O-CB 3.31Å; W82-C86 PolarHBondContact O-N 2.92Å; W82-C86 PolarHBondContact O-SG 3.45Å; W82-Y94 HydrophobicContact CH2-CE2 4.27Å; W82-Y94 AromaticContact CZ3-CE2 3.85Å; W82-Y94 HydrophobicContact CZ3-CE2 3.85Å; W82-E110 HydrophobicContact CH2-CB 4.2Å; W82-E110 HydrophobicContact CZ3-CB 3.88Å; W82-L114 HydrophobicContact CB-CD1 3.81Å; W82-L114 HydrophobicContact CB-CD2 4.48Å; W82-L114 HydrophobicContact CE3-CD2 4.13Å
83E97.3Very high96.1Very high43 Ų4345.8 Ų45.820%0.20123%0.229CC..Hα-helixtrans-54.4-46.3178.4-173.4-164.8136.600111.9M81 Y85 C86 R87 L114 K117 Q119 L120M81-E83 VanDerWaalsContact C-N 3.3Å; M81-E83 PolarHBondContact O-N 3.19Å; E83-Y85 VanDerWaalsContact C-N 3.29Å; E83-Y85 PolarHBondContact O-N 3.09Å; E83-C86 PolarHBondContact O-N 2.85Å; E83-R87 WeakPolarHBondContact O-CG 3.36Å; E83-R87 PolarHBondContact O-N 3.12Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.71Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 3.12Å; E83-L114 HydrophobicContact CB-CD1 4.42Å; E83-K117 HydrophobicContact CB-CG 4.41Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.88Å; E83-K117 WeakPolarHBondContact OE2-CD 3.23Å; E83-Q119 PolarHBondContact OE1-OE1 3.16Å; E83-L120 HydrophobicContact CG-CD1 4.49Å; E83-L120 HydrophobicContact CG-CG 4.49Å
84R96.6Very high96.3Very high177 Ų17745.8 Ų45.867%0.66823%0.229SC*.Hα-helixtrans-59-40.9-178.7178.3-177.3173.8-176.7-1.4111.9M81 W82M81-R84 WeakPolarHBondContact O-CB 3.22Å; M81-R84 PolarHBondContact O-N 2.83Å; W82-R84 VanDerWaalsContact C-N 3.3Å; W82-R84 PolarHBondContact O-N 2.88Å
85Y97.1Very high96.4Very high30 Ų3045.7 Ų45.712%0.11823%0.227CC..Hα-helixtrans-86.4-18.7-177.2-72.2-89000113.2T24 F55 W70 I72 M81 W82 E83 R87 V89T24-Y85 PolarHBondContact OG1-O 2.82Å; F55-Y85 HydrophobicContact CD1-CE2 4.22Å; F55-Y85 AromaticContact CD1-CZ 3.76Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.32Å; F55-Y85 HydrophobicContact CD2-CE1 4.05Å; F55-Y85 AromaticContact CE1-CZ 3.96Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.46Å; F55-Y85 HydrophobicContact CE2-CE1 4.32Å; F55-Y85 HydrophobicContact CG-CE1 4.17Å; F55-Y85 HydrophobicContact CG-CE2 4.45Å; F55-Y85 AromaticContact CG-CZ 3.84Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.28Å; W70-Y85 HydrophobicContact CB-CD1 4.44Å; W70-Y85 AromaticContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CD1 3.81Å; W70-Y85 HydrophobicContact CD2-CE1 4.14Å; W70-Y85 AromaticContact CE3-CD1 3.82Å; W70-Y85 HydrophobicContact CE3-CD1 3.82Å; W70-Y85 AromaticContact CE3-CE1 3.71Å; W70-Y85 HydrophobicContact CE3-CE1 3.71Å; W70-Y85 HydrophobicContact CG-CD1 4.1Å; W70-Y85 HydrophobicContact CH2-CE1 4.31Å; W70-Y85 HydrophobicContact CZ3-CD1 4.34Å; W70-Y85 AromaticContact CZ3-CE1 3.8Å; W70-Y85 HydrophobicContact CZ3-CE1 3.8Å; I72-Y85 HydrophobicContact CD1-CD1 3.95Å; I72-Y85 HydrophobicContact CD1-CD2 3.93Å; I72-Y85 HydrophobicContact CD1-CG 3.62Å; I72-Y85 HydrophobicContact CG1-CG 4.46Å; M81-Y85 HydrophobicContact CB-CD2 4.24Å; M81-Y85 HydrophobicContact CB-CE2 4.22Å; M81-Y85 WeakPolarHBondContact O-CD2 3.4Å; M81-Y85 PolarHBondContact O-N 2.88Å; W82-Y85 PolarHBondContact O-N 2.8Å; W82-Y85 VanDerWaalsContact O-N 3.14Å; E83-Y85 VanDerWaalsContact C-N 3.29Å; E83-Y85 PolarHBondContact O-N 3.09Å; Y85-R87 VanDerWaalsContact C-N 3.34Å; Y85-V89 WeakPolarHBondContact O-CG1 3.36Å
86C98.1Very high96.6Very high0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-80.4-11.5174.5-70.70000113.4T24 W82 E83 G88 V89 I92 L120 I123T24-C86 VanDerWaalsContact CG2-SG 3.55Å; W82-C86 WeakPolarHBondContact O-CB 3.31Å; W82-C86 PolarHBondContact O-N 2.92Å; W82-C86 PolarHBondContact O-SG 3.45Å; E83-C86 PolarHBondContact O-N 2.85Å; C86-G88 PolarHBondContact O-N 2.94Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.4Å; C86-I92 HydrophobicContact CB-CD1 3.75Å; C86-I92 HydrophobicContact CB-CG1 3.96Å; C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.68Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.3Å; C86-I123 VanDerWaalsContact O-CD1 3.24Å; C86-I123 WeakPolarHBondContact O-CD1 3.44Å
87R95.8Very high96.7Very high126 Ų12641.2 Ų41.248%0.47520%0.2SC..THydrogen-bonded Turntrans-67.5130.6-179.3-72.2170.4-170.6-177.11.2111.8E83 Y85 V89 Q119 L120E83-R87 WeakPolarHBondContact O-CG 3.36Å; E83-R87 PolarHBondContact O-N 3.12Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.71Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 3.12Å; Y85-R87 VanDerWaalsContact C-N 3.34Å; R87-V89 PolarHBondContact O-N 2.96Å; R87-Q119 HydrophobicContact CG-CB 4.19Å; R87-L120 HydrophobicContact CG-CD2 3.93Å
88G91.6Very high96.9Very high61 Ų6133.4 Ų33.463%0.62917%0.17SC*.THydrogen-bonded Turntrans72.53.3171.200000115.8C86C86-G88 PolarHBondContact O-N 2.94Å
89V95.9Very high97.1Very high6 Ų633.6 Ų33.64%0.03618%0.177CC..  trans-67.4159.3176.5-54.70000111.2E22 T24 Y85 C86 R87 A91 I92 I123E22-V89 HydrophobicContact CG-CG1 4.26Å; E22-V89 WeakPolarHBondContact O-CB 3.41Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.32Å; Y85-V89 WeakPolarHBondContact O-CG1 3.36Å; C86-V89 VanDerWaalsContact O-CG2 3.28Å; C86-V89 WeakPolarHBondContact O-CG2 3.4Å; R87-V89 PolarHBondContact O-N 2.96Å; V89-A91 WeakPolarHBondContact CG2-O 3.18Å; V89-I92 HydrophobicContact CG2-CG1 3.92Å; V89-I123 HydrophobicContact CG2-CG2 3.75Å
90S95.8Very high97.1Very high11 Ų1133 Ų338%0.07718%0.177CC..SBendtrans-68.4-40.2173-70.20000111.8E22 P124 H180E22-S90 WeakPolarHBondContact O-CB 3.24Å; E22-S90 PolarHBondContact O-N 3.29Å; S90-P124 WeakPolarHBondContact O-CD 3.45Å; S90-H180 WeakPolarHBondContact CB-O 3.31Å
91A97.9Very high97.2Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-155.4152.117400000110.9L23 V89 P124 W176L23-A91 HydrophobicContact CD2-CB 3.8Å; L23-A91 WeakPolarHBondContact CD2-O 3.37Å; V89-A91 WeakPolarHBondContact CG2-O 3.18Å; A91-P124 CarbonylContact C-O 3.45Å; A91-P124 WeakPolarHBondContact CA-O 3.11Å; A91-P124 HydrophobicContact CB-CB 4.28Å; A91-W176 HydrophobicContact CB-CH2 4.31Å; A91-W176 HydrophobicContact CB-CZ3 3.97Å
92I98.6Very high97.4Very high0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-94.1127.8169.8-60.4168.3000107.6V26 C86 V89 L114 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.65Å; C86-I92 HydrophobicContact CB-CD1 3.75Å; C86-I92 HydrophobicContact CB-CG1 3.96Å; V89-I92 HydrophobicContact CG2-CG1 3.92Å; I92-L114 HydrophobicContact CG2-CD2 4.5Å; I92-L115 HydrophobicContact CD1-CD2 4.3Å; I92-L120 HydrophobicContact CD1-CD1 4.14Å; I92-I123 HydrophobicContact CD1-CB 4.42Å; I92-I123 HydrophobicContact CD1-CG2 4.13Å; I92-I123 HydrophobicContact CG1-CG2 3.89Å; I92-P124 PolarHBondContact N-O 3.37Å; I92-V125 HydrophobicContact CB-CG2 4.38Å; I92-V125 WeakPolarHBondContact O-CA 3.4Å; I92-L126 PolarHBondContact O-N 3.09Å
93V98.8Very high97.4Very high1 Ų143 Ų431%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-101.5115.9171.6-1730000108.2T24 L25 V26 L126 L128 L177T24-V93 PolarHBondContact O-N 3.07Å; L25-V93 WeakPolarHBondContact CA-O 3.41Å; L25-V93 HydrophobicContact CD1-CB 3.63Å; L25-V93 HydrophobicContact CD1-CG1 3.41Å; L25-V93 VanDerWaalsContact CD1-CG1 3.41Å; V26-V93 PolarHBondContact N-O 2.7Å; V93-L126 CarbonylContact C-O 3.52Å; V93-L126 WeakPolarHBondContact CA-O 3.3Å; V93-L128 HydrophobicContact CG1-CD1 3.47Å; V93-L128 VanDerWaalsContact CG1-CD1 3.47Å; V93-L128 HydrophobicContact CG1-CG 3.97Å; V93-L177 HydrophobicContact CG2-CD2 3.87Å
94Y98.9Very high97.4Very high0 Ų041.3 Ų41.30%020%0.203CC..EExtended strand (participates in β ladder)trans-105.7112.4179.1-165.4-90.8000110.6V26 W82 V96 S107 E110 L111 L126 V127 L128 M147V26-Y94 HydrophobicContact CG2-CD2 3.79Å; V26-Y94 HydrophobicContact CG2-CE2 4.49Å; V26-Y94 WeakPolarHBondContact O-CA 3.41Å; W82-Y94 HydrophobicContact CH2-CE2 4.27Å; W82-Y94 AromaticContact CZ3-CE2 3.85Å; W82-Y94 HydrophobicContact CZ3-CE2 3.85Å; Y94-V96 HydrophobicContact CD1-CG2 3.81Å; Y94-V96 HydrophobicContact CE1-CG2 3.91Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.32Å; Y94-S107 PolarHBondContact OH-O 2.9Å; Y94-E110 WeakPolarHBondContact OH-CB 3.19Å; Y94-L111 HydrophobicContact CD1-CB 4.22Å; Y94-L111 HydrophobicContact CD1-CD1 4.11Å; Y94-L111 HydrophobicContact CD1-CD2 4.28Å; Y94-L111 HydrophobicContact CD1-CG 4.44Å; Y94-L111 HydrophobicContact CD2-CB 4.29Å; Y94-L111 HydrophobicContact CD2-CD1 3.65Å; Y94-L111 HydrophobicContact CE1-CB 3.83Å; Y94-L111 HydrophobicContact CE2-CB 3.95Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.44Å; Y94-L111 HydrophobicContact CG-CD1 3.65Å; Y94-L111 HydrophobicContact CG-CG 4.44Å; Y94-L111 PolarHBondContact OH-N 2.75Å; Y94-L126 PolarHBondContact N-O 3.01Å; Y94-V127 WeakPolarHBondContact O-CA 3.42Å; Y94-L128 PolarHBondContact O-N 3.42Å; Y94-M147 HydrophobicContact CD1-CE 4.33Å; Y94-M147 HydrophobicContact CE1-CE 3.86Å
95M98.8Very high97.5Very high0 Ų037.6 Ų37.60%019%0.193CC..EExtended strand (participates in β ladder)trans-95.2119.8-174.9-172.36970.300111.5L25 V26 S31 K33 F36 L128 N130 I162L25-M95 HydrophobicContact CD1-CB 4.22Å; L25-M95 HydrophobicContact CD1-CE 4.17Å; V26-M95 PolarHBondContact O-N 3.23Å; S31-M95 VanDerWaalsContact CB-O 3.23Å; S31-M95 WeakPolarHBondContact CB-O 3.32Å; S31-M95 VanDerWaalsContact O-CG 3.27Å; S31-M95 WeakPolarHBondContact O-CG 3.34Å; S31-M95 WeakPolarHBondContact OG-CB 3.45Å; S31-M95 WeakPolarHBondContact OG-CG 3.47Å; S31-M95 PolarHBondContact OG-O 3.23Å; K33-M95 HydrophobicContact CD-CB 4.44Å; K33-M95 HydrophobicContact CG-CB 3.58Å; K33-M95 HydrophobicContact CG-CG 4.04Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.33Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.77Å; M95-L128 HydrophobicContact CE-CB 4.11Å; M95-L128 HydrophobicContact CE-CD1 3.9Å; M95-L128 HydrophobicContact SD-CB 3.79Å; M95-N130 HydrophobicContact CG-CB 4.42Å; M95-N130 HydrophobicContact SD-CB 3.38Å; M95-N130 WeakPolarHBondContact SD-CB 3.49Å; M95-I162 HydrophobicContact CE-CD1 4.32Å; M95-I162 HydrophobicContact SD-CD1 4.48Å
96V98.8Very high97.6Very high1 Ų138.3 Ų38.31%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-107.9140176-173.60000108.8Y94 A98 I104 V127 L128 N130 L143 M147Y94-V96 HydrophobicContact CD1-CG2 3.81Å; Y94-V96 HydrophobicContact CE1-CG2 3.91Å; V96-A98 PolarHBondContact O-N 3.24Å; V96-I104 HydrophobicContact CG1-CD1 3.46Å; V96-I104 VanDerWaalsContact CG1-CD1 3.46Å; V96-V127 HydrophobicContact CG2-CG1 3.93Å; V96-L128 PolarHBondContact N-O 3.29Å; V96-N130 PolarHBondContact O-N 2.83Å; V96-L143 HydrophobicContact CB-CD2 4.48Å; V96-L143 HydrophobicContact CG1-CD2 4.08Å; V96-M147 HydrophobicContact CG1-SD 4.29Å; V96-M147 HydrophobicContact CG2-CE 3.73Å; V96-M147 HydrophobicContact CG2-SD 4.15Å
97D98.6Very high97.6Very high22 Ų2238.5 Ų38.512%0.11821%0.206CC..EExtended strand (participates in β ladder)trans-80.5106.1165.4-170.8-23.4000107.9A99 D100 K131D97-A99 PolarHBondContact O-N 2.85Å; D97-A99 PolarHBondContact OD1-N 2.91Å; D97-D100 HydrophobicContact CB-CB 3.87Å; D97-D100 PolarHBondContact O-N 3.28Å; D97-D100 PolarHBondContact OD1-N 3.42Å; D97-K131 WeakPolarHBondContact OD1-CD 3.48Å; D97-K131 IonicContact OD1-NZ 3.99Å; D97-K131 VanDerWaalsContact OD2-CE 3.29Å; D97-K131 WeakPolarHBondContact OD2-CE 3.18Å; D97-K131 IonicContact OD2-NZ 2.64Å; D97-K131 PolarHBondContact OD2-NZ 2.82Å
98A98.6Very high97.7Very high0 Ų034.5 Ų34.50%019%0.192CC..SBendtrans-69.7-22.2-17700000112.2V96 N130 A137 L138 L143V96-A98 PolarHBondContact O-N 3.24Å; A98-N130 VanDerWaalsContact CB-O 3.31Å; A98-N130 WeakPolarHBondContact CB-O 3.34Å; A98-N130 PolarHBondContact N-O 3.45Å; A98-A137 HydrophobicContact CB-CB 4.18Å; A98-A137 CarbonylContact O-C 3.59Å; A98-A137 VanDerWaalsContact O-CA 3.31Å; A98-A137 WeakPolarHBondContact O-CA 3.18Å; A98-L138 HydrophobicContact CB-CB 4.42Å; A98-L138 WeakPolarHBondContact O-CG 2.96Å; A98-L138 PolarHBondContact O-N 3.01Å; A98-L143 HydrophobicContact CB-CD1 4.5Å
99A98.2Very high98.1Very high29 Ų2934.9 Ų34.924%0.2418%0.18CC..SBendtrans-89-17.5-179.400000113.3D97 Q101 K131 L134 A137D97-A99 PolarHBondContact O-N 2.85Å; D97-A99 PolarHBondContact OD1-N 2.91Å; A99-Q101 PolarHBondContact O-N 3.35Å; A99-K131 HydrophobicContact CB-CB 4.4Å; A99-L134 HydrophobicContact CB-CB 3.76Å; A99-L134 HydrophobicContact CB-CD1 3.92Å; A99-L134 HydrophobicContact CB-CG 4.43Å; A99-A137 HydrophobicContact CB-CB 4.21Å
100D97.9Very high98.2Very high33 Ų3337 Ų3718%0.17619%0.189CC..  trans-94.676.7178.9-169.2-17.2000111.2D97 E102 K103D97-D100 HydrophobicContact CB-CB 3.87Å; D97-D100 PolarHBondContact O-N 3.28Å; D97-D100 PolarHBondContact OD1-N 3.42Å; D100-E102 PolarHBondContact O-N 3.49Å; D100-K103 PolarHBondContact O-N 3.24Å; D100-K103 VanDerWaalsContact O-N 3.16Å; D100-K103 PolarHBondContact OD1-N 2.92Å; D100-K103 WeakPolarHBondContact OD2-CD 3.32Å; D100-K103 VanDerWaalsContact OD2-CE 3.31Å; D100-K103 WeakPolarHBondContact OD2-CE 3.39Å; D100-K103 WeakPolarHBondContact OD2-CG 3.37Å; D100-K103 IonicContact OD2-NZ 3.83Å; D100-K103 PolarHBondContact OD2-NZ 3.17Å
101Q96.2Very high98.4Very high97 Ų9736.4 Ų36.445%0.45319%0.186SC..G310 helixtrans-61.8-28-177.6-63.8-164.746.200113.2A99 K103 I104 G136 L138A99-Q101 PolarHBondContact O-N 3.35Å; Q101-K103 PolarHBondContact O-N 3.42Å; Q101-I104 PolarHBondContact O-N 3.29Å; Q101-G136 PolarHBondContact NE2-O 2.91Å; Q101-L138 HydrophobicContact CG-CD2 4.26Å; Q101-L138 HydrophobicContact CG-CG 4.45Å
102E97.6Very high98.4Very high182 Ų18238.1 Ų38.185%0.8519%0.193SC*.G310 helixtrans-64.9-29.9178.7-62.1-176.7173.900112.1D100D100-E102 PolarHBondContact O-N 3.49Å
103K97.5Very high98.4Very high84 Ų8442.4 Ų42.437%0.36522%0.216SC..G310 helixtrans-94.8-3.4-178.7-67.4-168.4-168.2119.20114.6L28 D100 Q101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 4.01Å; L28-K103 HydrophobicContact CD1-CD 4.45Å; D100-K103 PolarHBondContact O-N 3.24Å; D100-K103 VanDerWaalsContact O-N 3.16Å; D100-K103 PolarHBondContact OD1-N 2.92Å; D100-K103 WeakPolarHBondContact OD2-CD 3.32Å; D100-K103 VanDerWaalsContact OD2-CE 3.31Å; D100-K103 WeakPolarHBondContact OD2-CE 3.39Å; D100-K103 WeakPolarHBondContact OD2-CG 3.37Å; D100-K103 IonicContact OD2-NZ 3.83Å; D100-K103 PolarHBondContact OD2-NZ 3.17Å; Q101-K103 PolarHBondContact O-N 3.42Å; K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 PolarHBondContact O-N 3.34Å; K103-A106 PolarHBondContact O-N 2.97Å; K103-S107 WeakPolarHBondContact O-CB 3.25Å; K103-S107 PolarHBondContact O-N 3.42Å
104I98.3Very high98.4Very high8 Ų842.8 Ų42.84%0.04122%0.218CC..Hα-helixtrans-60-42.9-177.6-65.1-66000111.4V96 Q101 A106 S107 K108 L138 L143 K146 M147V96-I104 HydrophobicContact CG1-CD1 3.46Å; V96-I104 VanDerWaalsContact CG1-CD1 3.46Å; Q101-I104 PolarHBondContact O-N 3.29Å; I104-A106 PolarHBondContact O-N 2.84Å; I104-S107 CarbonylContact O-C 3.52Å; I104-S107 WeakPolarHBondContact O-CB 3.47Å; I104-S107 PolarHBondContact O-N 3.06Å; I104-S107 VanDerWaalsContact O-N 3.17Å; I104-K108 WeakPolarHBondContact O-CB 3.47Å; I104-K108 PolarHBondContact O-N 3.08Å; I104-L138 HydrophobicContact CD1-CD1 3.74Å; I104-L138 HydrophobicContact CG1-CD1 3.85Å; I104-L143 HydrophobicContact CD1-CD2 4.49Å; I104-K146 HydrophobicContact CG2-CB 3.71Å; I104-K146 HydrophobicContact CG2-CD 4.4Å; I104-M147 HydrophobicContact CG2-SD 4.01Å
105E98.5Very high98.3Very high99 Ų9943.1 Ų43.146%0.46322%0.22SC..Hα-helixtrans-62.9-44.6178.8-17659.3-155.700112K103 S107 K108 N109K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 PolarHBondContact O-N 3.34Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.32Å; E105-K108 WeakPolarHBondContact O-CB 3.24Å; E105-K108 PolarHBondContact O-N 3.37Å; E105-K108 WeakPolarHBondContact OE1-CE 3.49Å; E105-K108 IonicContact OE1-NZ 3.63Å; E105-K108 PolarHBondContact OE1-NZ 3.2Å; E105-K108 WeakPolarHBondContact OE2-CE 3.45Å; E105-K108 IonicContact OE2-NZ 2.71Å; E105-K108 PolarHBondContact OE2-NZ 3.46Å; E105-N109 VanDerWaalsContact O-CG 3.24Å; E105-N109 PolarHBondContact O-N 2.9Å; E105-N109 PolarHBondContact O-ND2 3.49Å; E105-N109 PolarHBondContact OE1-ND2 3.02Å
106A98.5Very high98.2Very high45 Ų4548.8 Ų48.837%0.37225%0.251SS..Hα-helixtrans-63.7-38.5175.200000111.5L28 K103 I104 N109 E110L28-A106 HydrophobicContact CD1-CB 4.18Å; K103-A106 PolarHBondContact O-N 2.97Å; I104-A106 PolarHBondContact O-N 2.84Å; A106-N109 PolarHBondContact O-N 2.62Å; A106-E110 VanDerWaalsContact O-CG 3.25Å; A106-E110 WeakPolarHBondContact O-CG 3.35Å; A106-E110 PolarHBondContact O-N 2.67Å; A106-E110 VanDerWaalsContact O-N 3.09Å
107S98.7Very high98.2Very high4 Ų452.6 Ų52.63%0.02827%0.267CS..Hα-helixtrans-65.8-42.4177.9-165.80000111.5Y94 K103 I104 E105 E110 L111Y94-S107 WeakPolarHBondContact CE1-OG 3.32Å; Y94-S107 PolarHBondContact OH-O 2.9Å; K103-S107 WeakPolarHBondContact O-CB 3.25Å; K103-S107 PolarHBondContact O-N 3.42Å; I104-S107 CarbonylContact O-C 3.52Å; I104-S107 WeakPolarHBondContact O-CB 3.47Å; I104-S107 PolarHBondContact O-N 3.06Å; I104-S107 VanDerWaalsContact O-N 3.17Å; E105-S107 VanDerWaalsContact C-N 3.3Å; E105-S107 PolarHBondContact O-N 3.32Å; S107-E110 PolarHBondContact O-N 2.71Å; S107-L111 PolarHBondContact O-N 2.82Å
108K98.8Very high98Very high41 Ų4155.8 Ų55.818%0.17829%0.289CS..Hα-helixtrans-57.5-54.1173-179.8-170.579.6-169.20110.4I104 E105 E110 L111 H112 K146 M147 N148I104-K108 WeakPolarHBondContact O-CB 3.47Å; I104-K108 PolarHBondContact O-N 3.08Å; E105-K108 WeakPolarHBondContact O-CB 3.24Å; E105-K108 PolarHBondContact O-N 3.37Å; E105-K108 WeakPolarHBondContact OE1-CE 3.49Å; E105-K108 IonicContact OE1-NZ 3.63Å; E105-K108 PolarHBondContact OE1-NZ 3.2Å; E105-K108 WeakPolarHBondContact OE2-CE 3.45Å; E105-K108 IonicContact OE2-NZ 2.71Å; E105-K108 PolarHBondContact OE2-NZ 3.46Å; K108-E110 VanDerWaalsContact C-N 3.29Å; K108-E110 PolarHBondContact O-N 3.09Å; K108-L111 WeakPolarHBondContact O-CB 3.37Å; K108-L111 PolarHBondContact O-N 3.02Å; K108-L111 VanDerWaalsContact O-N 3.09Å; K108-H112 PolarHBondContact O-CD2 3.02Å; K108-H112 VanDerWaalsContact O-CD2 3.24Å; K108-H112 PolarHBondContact O-N 3.33Å; K108-K146 WeakPolarHBondContact CD-O 3.45Å; K108-M147 HydrophobicContact CB-CE 4.36Å; K108-M147 HydrophobicContact CB-SD 4.09Å; K108-N148 HydrophobicContact CD-CB 4.2Å
109N98.7Very high97.9Very high70 Ų7060.7 Ų60.737%0.37431%0.312SS..Hα-helixtrans-60.1-40.4-176.3-66.5-23.3000111.8E105 A106 N113E105-N109 VanDerWaalsContact O-CG 3.24Å; E105-N109 PolarHBondContact O-N 2.9Å; E105-N109 PolarHBondContact O-ND2 3.49Å; E105-N109 PolarHBondContact OE1-ND2 3.02Å; A106-N109 PolarHBondContact O-N 2.62Å; N109-N113 WeakPolarHBondContact O-CB 3.1Å; N109-N113 PolarHBondContact O-N 3.47Å; N109-N113 PolarHBondContact O-ND2 2.91Å; N109-N113 VanDerWaalsContact O-ND2 3.09Å
110E98.6Very high97.9Very high49 Ų4959.3 Ų59.323%0.22930%0.301CS..Hα-helixtrans-68.4-35.7176.2-68.7-72.9-175.900113.3L28 R79 W82 Y94 A106 S107 K108 L114L28-E110 HydrophobicContact CD2-CB 4.3Å; L28-E110 HydrophobicContact CD2-CG 3.93Å; R79-E110 VanDerWaalsContact CD-CD 3.4Å; R79-E110 VanDerWaalsContact CD-OE1 3.24Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 2.71Å; R79-E110 IonicContact NE-OE1 2.99Å; R79-E110 IonicContact NH1-OE1 2.66Å; R79-E110 PolarHBondContact NH1-OE1 2.81Å; W82-E110 HydrophobicContact CH2-CB 4.2Å; W82-E110 HydrophobicContact CZ3-CB 3.88Å; Y94-E110 WeakPolarHBondContact OH-CB 3.19Å; A106-E110 VanDerWaalsContact O-CG 3.25Å; A106-E110 WeakPolarHBondContact O-CG 3.35Å; A106-E110 PolarHBondContact O-N 2.67Å; A106-E110 VanDerWaalsContact O-N 3.09Å; S107-E110 PolarHBondContact O-N 2.71Å; K108-E110 VanDerWaalsContact C-N 3.29Å; K108-E110 PolarHBondContact O-N 3.09Å; E110-L114 WeakPolarHBondContact O-CB 3.49Å; E110-L114 PolarHBondContact O-N 3.49Å; E110-L114 VanDerWaalsContact O-N 3.12Å
111L98.8Very high97.8Very high0 Ų064.3 Ų64.30%032%0.323CS..Hα-helixtrans-63-5517317560.5000110.7Y94 S107 K108 N113 L114 L115 V125 V127 M147 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.22Å; Y94-L111 HydrophobicContact CD1-CD1 4.11Å; Y94-L111 HydrophobicContact CD1-CD2 4.28Å; Y94-L111 HydrophobicContact CD1-CG 4.44Å; Y94-L111 HydrophobicContact CD2-CB 4.29Å; Y94-L111 HydrophobicContact CD2-CD1 3.65Å; Y94-L111 HydrophobicContact CE1-CB 3.83Å; Y94-L111 HydrophobicContact CE2-CB 3.95Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.44Å; Y94-L111 HydrophobicContact CG-CD1 3.65Å; Y94-L111 HydrophobicContact CG-CG 4.44Å; Y94-L111 PolarHBondContact OH-N 2.75Å; S107-L111 PolarHBondContact O-N 2.82Å; K108-L111 WeakPolarHBondContact O-CB 3.37Å; K108-L111 PolarHBondContact O-N 3.02Å; K108-L111 VanDerWaalsContact O-N 3.09Å; L111-N113 PolarHBondContact O-N 3.47Å; L111-L114 WeakPolarHBondContact O-CB 2.8Å; L111-L114 PolarHBondContact O-N 3.13Å; L111-L114 VanDerWaalsContact O-N 3.12Å; L111-L115 HydrophobicContact CD1-CD1 3.69Å; L111-L115 HydrophobicContact CD1-CD2 4.37Å; L111-L115 HydrophobicContact CD1-CG 3.89Å; L111-L115 HydrophobicContact CG-CD1 4.06Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.84Å; L111-V125 HydrophobicContact CD1-CG1 4.41Å; L111-V127 HydrophobicContact CD2-CG2 4.15Å; L111-M147 HydrophobicContact CB-CE 4.24Å; L111-M147 HydrophobicContact CD2-CE 3.86Å; L111-L149 HydrophobicContact CD2-CD2 3.63Å; L111-I152 HydrophobicContact CD2-CD1 4.43Å
112H98.8Very high97.8Very high35 Ų3561.7 Ų61.716%0.16232%0.322CS..Hα-helixtrans-62.2-44.1-178.1-75.3-89.1000111.4K108 L114 L115 D116 M147 N148K108-H112 PolarHBondContact O-CD2 3.02Å; K108-H112 VanDerWaalsContact O-CD2 3.24Å; K108-H112 PolarHBondContact O-N 3.33Å; H112-L114 PolarHBondContact O-N 3.38Å; H112-L115 PolarHBondContact O-N 3.09Å; H112-L115 VanDerWaalsContact O-N 3.08Å; H112-D116 WeakPolarHBondContact O-CB 3.38Å; H112-D116 VanDerWaalsContact O-CG 3.27Å; H112-D116 PolarHBondContact O-N 3.35Å; H112-M147 PolarHBondContact NE2-O 3.18Å; H112-N148 PolarHBondContact CE1-O 3.29Å; H112-N148 VanDerWaalsContact CE1-O 3.28Å; H112-N148 PolarHBondContact NE2-O 2.98Å
113N98.4Very high97.8Very high90 Ų9054 Ų5448%0.48129%0.286SS..Hα-helixtrans-58.5-33.2174.9-74.6-22.6000113.7N109 L111 K117N109-N113 WeakPolarHBondContact O-CB 3.1Å; N109-N113 PolarHBondContact O-N 3.47Å; N109-N113 PolarHBondContact O-ND2 2.91Å; N109-N113 VanDerWaalsContact O-ND2 3.09Å; L111-N113 PolarHBondContact O-N 3.47Å; N113-K117 VanDerWaalsContact O-CE 3.28Å; N113-K117 WeakPolarHBondContact O-CE 3.38Å
114L98.5Very high97.8Very high9 Ų951 Ų515%0.04728%0.276CS..Hα-helixtrans-73.7-44.4174.9177.566.1000111V26 W82 E83 I92 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.87Å; W82-L114 HydrophobicContact CB-CD1 3.81Å; W82-L114 HydrophobicContact CB-CD2 4.48Å; W82-L114 HydrophobicContact CE3-CD2 4.13Å; E83-L114 HydrophobicContact CB-CD1 4.42Å; I92-L114 HydrophobicContact CG2-CD2 4.5Å; E110-L114 WeakPolarHBondContact O-CB 3.49Å; E110-L114 PolarHBondContact O-N 3.49Å; E110-L114 VanDerWaalsContact O-N 3.12Å; L111-L114 WeakPolarHBondContact O-CB 2.8Å; L111-L114 PolarHBondContact O-N 3.13Å; L111-L114 VanDerWaalsContact O-N 3.12Å; H112-L114 PolarHBondContact O-N 3.38Å; L114-D116 VanDerWaalsContact C-N 3.31Å; L114-D116 PolarHBondContact O-N 3.12Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 WeakPolarHBondContact O-CG 3.39Å; L114-K117 PolarHBondContact O-N 2.98Å; L114-L120 HydrophobicContact CD1-CD1 3.57Å; L114-L120 HydrophobicContact CG-CD1 3.92Å; L114-L120 WeakPolarHBondContact O-CD1 3.4Å
115L98.4Very high97.9Very high7 Ų750.7 Ų50.74%0.03727%0.274CS..Hα-helixtrans-74-23.3-175.9-61-174.8000113.3I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CD1 3.69Å; L111-L115 HydrophobicContact CD1-CD2 4.37Å; L111-L115 HydrophobicContact CD1-CG 3.89Å; L111-L115 HydrophobicContact CG-CD1 4.06Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.84Å; H112-L115 PolarHBondContact O-N 3.09Å; H112-L115 VanDerWaalsContact O-N 3.08Å; L115-K117 PolarHBondContact O-N 3.2Å; L115-K117 VanDerWaalsContact O-N 3.15Å; L115-V125 HydrophobicContact CD1-CG2 4.07Å; L115-V125 HydrophobicContact CD2-CG2 3.56Å; L115-V125 HydrophobicContact CG-CG2 4.48Å; L115-I152 HydrophobicContact CD1-CD1 3.47Å; L115-I152 VanDerWaalsContact CD1-CD1 3.47Å; L115-I152 HydrophobicContact CD1-CG1 4.07Å; L115-I152 HydrophobicContact CD1-CG2 4.18Å; L115-R155 PolarHBondContact O-NH2 2.89Å
116D96.8Very high97.9Very high120 Ų12046 Ų4664%0.64225%0.252SS*.THydrogen-bonded Turntrans-65.2-9.4171.7-76-12.5000113.6H112 L114 P118H112-D116 WeakPolarHBondContact O-CB 3.38Å; H112-D116 VanDerWaalsContact O-CG 3.27Å; H112-D116 PolarHBondContact O-N 3.35Å; L114-D116 VanDerWaalsContact C-N 3.31Å; L114-D116 PolarHBondContact O-N 3.12Å; D116-P118 VanDerWaalsContact O-CD 3.3Å; D116-P118 WeakPolarHBondContact O-CD 3.27Å
117K97.3Very high97.9Very high80 Ų8043.8 Ų43.835%0.34823%0.234SC..  trans-72.8118.3178.9-57.8-54179.8-153.60110.3E83 N113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.41Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.88Å; E83-K117 WeakPolarHBondContact OE2-CD 3.23Å; N113-K117 VanDerWaalsContact O-CE 3.28Å; N113-K117 WeakPolarHBondContact O-CE 3.38Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 WeakPolarHBondContact O-CG 3.39Å; L114-K117 PolarHBondContact O-N 2.98Å; L115-K117 PolarHBondContact O-N 3.2Å; L115-K117 VanDerWaalsContact O-N 3.15Å; K117-Q119 PolarHBondContact O-N 3.09Å; K117-L120 HydrophobicContact CB-CD1 4.24Å; K117-L120 HydrophobicContact CB-CG 4.07Å; K117-L120 PolarHBondContact O-N 3.49Å
118P95.6Very high97.9Very high90 Ų9043.6 Ų43.658%0.58423%0.233SC*.G310 helixtrans-58-29.1-176.8-26.134.9000113.8D116 L120 Q121D116-P118 VanDerWaalsContact O-CD 3.3Å; D116-P118 WeakPolarHBondContact O-CD 3.27Å; P118-L120 PolarHBondContact O-N 3.22Å; P118-Q121 VanDerWaalsContact O-CB 3.32Å; P118-Q121 WeakPolarHBondContact O-CB 3.21Å; P118-Q121 PolarHBondContact O-N 2.89Å
119Q95.6Very high97.9Very high103 Ų10341.7 Ų41.748%0.48122%0.224SC..G310 helixtrans-70-13.1179-61.473.335.400113.2E83 R87 K117E83-Q119 PolarHBondContact OE1-OE1 3.16Å; R87-Q119 HydrophobicContact CG-CB 4.19Å; K117-Q119 PolarHBondContact O-N 3.09Å
120L97.8Very high97.9Very high0 Ų038.6 Ų38.60%021%0.208CC..G310 helixtrans-104.92.7178.3-52.9-171.4000112.5E83 C86 R87 I92 L114 K117 P118 G122 I123 R155E83-L120 HydrophobicContact CG-CD1 4.49Å; E83-L120 HydrophobicContact CG-CG 4.49Å; C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.68Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.3Å; R87-L120 HydrophobicContact CG-CD2 3.93Å; I92-L120 HydrophobicContact CD1-CD1 4.14Å; L114-L120 HydrophobicContact CD1-CD1 3.57Å; L114-L120 HydrophobicContact CG-CD1 3.92Å; L114-L120 WeakPolarHBondContact O-CD1 3.4Å; K117-L120 HydrophobicContact CB-CD1 4.24Å; K117-L120 HydrophobicContact CB-CG 4.07Å; K117-L120 PolarHBondContact O-N 3.49Å; P118-L120 PolarHBondContact O-N 3.22Å; L120-G122 PolarHBondContact O-N 3.41Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.12Å; L120-I123 WeakPolarHBondContact O-CB 3.37Å; L120-I123 WeakPolarHBondContact O-CG1 3.31Å; L120-I123 PolarHBondContact O-N 3.01Å; L120-R155 PolarHBondContact O-NH1 3.25Å; L120-R155 PolarHBondContact O-NH2 3.47Å
121Q96.3Very high97.9Very high138 Ų13838.7 Ų38.765%0.64521%0.208SC*.THydrogen-bonded Turntrans-55135.4-177.4-171.8178.54.200111.4P118 I123P118-Q121 VanDerWaalsContact O-CB 3.32Å; P118-Q121 WeakPolarHBondContact O-CB 3.21Å; P118-Q121 PolarHBondContact O-N 2.89Å; Q121-I123 PolarHBondContact O-N 3.46Å; Q121-I123 VanDerWaalsContact O-N 3.15Å
122G96.2Very high97.8Very high42 Ų4243.7 Ų43.743%0.43323%0.226SC..THydrogen-bonded Turntrans72.8-4.4177.900000115.8L120 P124L120-G122 PolarHBondContact O-N 3.41Å; G122-P124 WeakPolarHBondContact O-CD 3.35Å
123I97.6Very high97.7Very high19 Ų1944.5 Ų44.510%0.09723%0.232CC..  trans-70.8123.5174.1-58.3-179.6000108.7C86 V89 I92 L120 Q121 R155C86-I123 VanDerWaalsContact O-CD1 3.24Å; C86-I123 WeakPolarHBondContact O-CD1 3.44Å; V89-I123 HydrophobicContact CG2-CG2 3.75Å; I92-I123 HydrophobicContact CD1-CB 4.42Å; I92-I123 HydrophobicContact CD1-CG2 4.13Å; I92-I123 HydrophobicContact CG1-CG2 3.89Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.12Å; L120-I123 WeakPolarHBondContact O-CB 3.37Å; L120-I123 WeakPolarHBondContact O-CG1 3.31Å; L120-I123 PolarHBondContact O-N 3.01Å; Q121-I123 PolarHBondContact O-N 3.46Å; Q121-I123 VanDerWaalsContact O-N 3.15Å; I123-R155 WeakPolarHBondContact O-CD 3.43Å; I123-R155 PolarHBondContact O-NH1 2.77Å
124P98.4Very high97.7Very high23 Ų2343.6 Ų43.615%0.14923%0.227CC..  trans-56.8145177.8-2634.9000112.9S90 A91 I92 G122 E156 W176S90-P124 WeakPolarHBondContact O-CD 3.45Å; A91-P124 CarbonylContact C-O 3.45Å; A91-P124 WeakPolarHBondContact CA-O 3.11Å; A91-P124 HydrophobicContact CB-CB 4.28Å; I92-P124 PolarHBondContact N-O 3.37Å; G122-P124 WeakPolarHBondContact O-CD 3.35Å; P124-E156 WeakPolarHBondContact CA-O 3.07Å; P124-E156 HydrophobicContact CB-CB 4.35Å; P124-W176 HydrophobicContact CB-CH2 3.95Å
125V98.8Very high97.6Very high0 Ų049.1 Ų49.10%026%0.263CS..EExtended strand (participates in β ladder)trans-123126.5-179.1179.60000110.5I92 L111 L115 V127 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.38Å; I92-V125 WeakPolarHBondContact O-CA 3.4Å; L111-V125 HydrophobicContact CD1-CG1 4.41Å; L115-V125 HydrophobicContact CD1-CG2 4.07Å; L115-V125 HydrophobicContact CD2-CG2 3.56Å; L115-V125 HydrophobicContact CG-CG2 4.48Å; V125-V127 HydrophobicContact CG1-CG2 4.04Å; V125-E156 PolarHBondContact N-O 3.26Å; V125-I157 HydrophobicContact CB-CD1 4.35Å; V125-I157 HydrophobicContact CB-CG1 4.2Å; V125-I157 HydrophobicContact CG1-CD1 4.27Å; V125-I157 HydrophobicContact CG1-CG1 4.38Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.49Å; V125-C158 PolarHBondContact O-N 3.44Å
126L98.8Very high97.5Very high0 Ų051.3 Ų51.30%029%0.287CS..EExtended strand (participates in β ladder)trans-107.2112.3168.6-176.962000109.7I92 V93 Y94 L128 C158 Y160 T173 W176 L177I92-L126 PolarHBondContact O-N 3.09Å; V93-L126 CarbonylContact C-O 3.52Å; V93-L126 WeakPolarHBondContact CA-O 3.3Å; Y94-L126 PolarHBondContact N-O 3.01Å; L126-L128 HydrophobicContact CD1-CD2 4.21Å; L126-L128 HydrophobicContact CD2-CD1 4.5Å; L126-L128 HydrophobicContact CD2-CD2 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.32Å; L126-L128 HydrophobicContact CG-CD2 3.81Å; L126-L128 HydrophobicContact CG-CG 4.13Å; L126-C158 HydrophobicContact CD1-CB 3.84Å; L126-Y160 HydrophobicContact CD1-CD2 3.86Å; L126-Y160 HydrophobicContact CD1-CE2 4.08Å; L126-T173 HydrophobicContact CD2-CG2 3.91Å; L126-W176 HydrophobicContact CB-CE3 3.94Å; L126-W176 HydrophobicContact CB-CH2 4.01Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.11Å; L126-W176 HydrophobicContact CD1-CE3 4.09Å; L126-W176 HydrophobicContact CD1-CZ3 4.49Å; L126-W176 HydrophobicContact CD2-CD2 4.46Å; L126-W176 HydrophobicContact CD2-CE3 3.76Å; L126-W176 HydrophobicContact CD2-CZ3 4.21Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.31Å; L126-L177 HydrophobicContact CD2-CD1 4.45Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 3.95Å
127V98.9Very high97.5Very high0 Ų046.7 Ų46.70%027%0.266CS..EExtended strand (participates in β ladder)trans-88.6124.7173-176.50000108.9Y94 V96 L111 V125 L149 I157 C158 C159 Y160Y94-V127 WeakPolarHBondContact O-CA 3.42Å; V96-V127 HydrophobicContact CG2-CG1 3.93Å; L111-V127 HydrophobicContact CD2-CG2 4.15Å; V125-V127 HydrophobicContact CG1-CG2 4.04Å; V127-L149 HydrophobicContact CB-CD1 4.05Å; V127-L149 HydrophobicContact CG1-CD1 4.27Å; V127-L149 HydrophobicContact CG2-CD1 3.89Å; V127-L149 HydrophobicContact CG2-CD2 3.96Å; V127-I157 HydrophobicContact CG2-CD1 4.21Å; V127-I157 HydrophobicContact CG2-CG1 4.42Å; V127-C158 PolarHBondContact N-O 3.37Å; V127-C159 HydrophobicContact CB-CB 4.38Å; V127-C159 VanDerWaalsContact O-CA 3.3Å; V127-C159 WeakPolarHBondContact O-CA 3.41Å; V127-Y160 PolarHBondContact O-N 2.8Å
128L98.9Very high97.6Very high0 Ų043 Ų430%025%0.25CC..EExtended strand (participates in β ladder)trans-114.4112.1177.4-62179.4000109.4F36 V93 Y94 M95 V96 L126 N130 Y160 I162 T173F36-L128 HydrophobicContact CD2-CD1 4.34Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 3.94Å; F36-L128 HydrophobicContact CZ-CD1 3.98Å; V93-L128 HydrophobicContact CG1-CD1 3.47Å; V93-L128 VanDerWaalsContact CG1-CD1 3.47Å; V93-L128 HydrophobicContact CG1-CG 3.97Å; Y94-L128 PolarHBondContact O-N 3.42Å; M95-L128 HydrophobicContact CE-CB 4.11Å; M95-L128 HydrophobicContact CE-CD1 3.9Å; M95-L128 HydrophobicContact SD-CB 3.79Å; V96-L128 PolarHBondContact N-O 3.29Å; L126-L128 HydrophobicContact CD1-CD2 4.21Å; L126-L128 HydrophobicContact CD2-CD1 4.5Å; L126-L128 HydrophobicContact CD2-CD2 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.32Å; L126-L128 HydrophobicContact CG-CD2 3.81Å; L126-L128 HydrophobicContact CG-CG 4.13Å; L128-N130 PolarHBondContact O-N 2.68Å; L128-Y160 WeakPolarHBondContact CA-O 3.39Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; L128-I162 HydrophobicContact CB-CD1 4.08Å; L128-I162 HydrophobicContact CB-CG1 4.46Å; L128-I162 HydrophobicContact CD1-CD1 4.03Å; L128-I162 HydrophobicContact CD2-CG2 4.16Å; L128-I162 HydrophobicContact CG-CD1 4.44Å; L128-T173 HydrophobicContact CD1-CG2 3.86Å; L128-T173 HydrophobicContact CD2-CG2 3.85Å
129G98.8Very high97.7Very high0 Ų041.7 Ų41.70%024%0.238CC..EExtended strand (participates in β ladder)trans-82.299.3167.400000109.9Y160 S161 I162G129-Y160 PolarHBondContact N-O 2.93Å; G129-S161 CarbonylContact O-C 3.56Å; G129-S161 WeakPolarHBondContact O-CA 3.3Å; G129-I162 PolarHBondContact O-N 2.86Å
130N98.6Very high97.8Very high6 Ų639.1 Ų39.13%0.03223%0.226CC..EExtended strand (participates in β ladder)trans-90.9163.3-177.317947.5000112.2S31 M95 V96 A98 L128 I162 C164S31-N130 PolarHBondContact O-ND2 3.17Å; M95-N130 HydrophobicContact CG-CB 4.42Å; M95-N130 HydrophobicContact SD-CB 3.38Å; M95-N130 WeakPolarHBondContact SD-CB 3.49Å; V96-N130 PolarHBondContact O-N 2.83Å; A98-N130 VanDerWaalsContact CB-O 3.31Å; A98-N130 WeakPolarHBondContact CB-O 3.34Å; A98-N130 PolarHBondContact N-O 3.45Å; L128-N130 PolarHBondContact O-N 2.68Å; N130-I162 CarbonylContact C-O 3.43Å; N130-I162 WeakPolarHBondContact CA-O 3.38Å; N130-I162 HydrophobicContact CB-CD1 4.33Å; N130-I162 HydrophobicContact CB-CG1 3.97Å; N130-C164 PolarHBondContact OD1-N 3.38Å; N130-C164 PolarHBondContact OD1-SG 3.15Å
131K97.9Very high97.8Very high51 Ų5146.6 Ų46.622%0.22226%0.258CS..  trans71.234.6-176.9-43.8-173.6-167.3169.70113.6Y30 D97 A99 D133 L134 A137 I162Y30-K131 WeakPolarHBondContact O-CE 3.43Å; Y30-K131 PolarHBondContact O-NZ 3.3Å; D97-K131 WeakPolarHBondContact OD1-CD 3.48Å; D97-K131 IonicContact OD1-NZ 3.99Å; D97-K131 VanDerWaalsContact OD2-CE 3.29Å; D97-K131 WeakPolarHBondContact OD2-CE 3.18Å; D97-K131 IonicContact OD2-NZ 2.64Å; D97-K131 PolarHBondContact OD2-NZ 2.82Å; A99-K131 HydrophobicContact CB-CB 4.4Å; K131-D133 WeakPolarHBondContact CA-OD1 3.22Å; K131-D133 PolarHBondContact O-N 2.87Å; K131-D133 VanDerWaalsContact O-N 3.14Å; K131-L134 HydrophobicContact CB-CD1 3.83Å; K131-L134 HydrophobicContact CB-CG 4.07Å; K131-L134 HydrophobicContact CD-CD1 3.86Å; K131-L134 HydrophobicContact CG-CD1 4.43Å; K131-L134 WeakPolarHBondContact O-CB 3.35Å; K131-L134 PolarHBondContact O-N 2.71Å; K131-A137 WeakPolarHBondContact O-CB 3.46Å; K131-I162 PolarHBondContact N-O 2.82Å; K131-I162 VanDerWaalsContact N-O 3.15Å
132R97.7Very high98Very high104 Ų10443.8 Ų43.839%0.39225%0.245SC..THydrogen-bonded Turntrans-55.4-25.4172.6-174.8-178.9-178.5135.48.7113.3L134 E140 S161 I162R132-L134 PolarHBondContact O-N 2.66Å; R132-E140 IonicContact CZ-OE2 3.06Å; R132-E140 IonicContact NH1-OE1 3.94Å; R132-E140 PolarHBondContact NH1-OE1 3.01Å; R132-E140 IonicContact NH1-OE2 2.67Å; R132-E140 PolarHBondContact NH1-OE2 3.23Å; R132-S161 WeakPolarHBondContact CD-OG 3.44Å; R132-S161 WeakPolarHBondContact CG-OG 3.3Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.24Å
133D97.2Very high98.1Very high52 Ų5241.8 Ų41.828%0.27823%0.225SC..THydrogen-bonded Turntrans-66.4-17.217656.9-74000113.8K131 S163 E166K131-D133 WeakPolarHBondContact CA-OD1 3.22Å; K131-D133 PolarHBondContact O-N 2.87Å; K131-D133 VanDerWaalsContact O-N 3.14Å; D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 VanDerWaalsContact OD1-CB 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.41Å; D133-S163 PolarHBondContact OD1-OG 2.84Å; D133-E166 HydrophobicContact CB-CG 3.77Å
134L97.7Very high98.1Very high72 Ų7244.3 Ų44.338%0.37724%0.238SC..SBendtrans-87.1147.7-179.2-61.7-176000112.2A99 K131 R132 G136 A137A99-L134 HydrophobicContact CB-CB 3.76Å; A99-L134 HydrophobicContact CB-CD1 3.92Å; A99-L134 HydrophobicContact CB-CG 4.43Å; K131-L134 HydrophobicContact CB-CD1 3.83Å; K131-L134 HydrophobicContact CB-CG 4.07Å; K131-L134 HydrophobicContact CD-CD1 3.86Å; K131-L134 HydrophobicContact CG-CD1 4.43Å; K131-L134 WeakPolarHBondContact O-CB 3.35Å; K131-L134 PolarHBondContact O-N 2.71Å; R132-L134 PolarHBondContact O-N 2.66Å; L134-G136 PolarHBondContact O-N 3.31Å; L134-A137 VanDerWaalsContact O-CB 3.26Å; L134-A137 WeakPolarHBondContact O-CB 3.39Å; L134-A137 PolarHBondContact O-N 2.9Å
135P96.6Very high98.1Very high125 Ų12550 Ų5081%0.81226%0.262SS*.THydrogen-bonded Turntrans-63.3138.2177.227.2-35000111.3A137P135-A137 VanDerWaalsContact C-N 3.25Å; P135-A137 PolarHBondContact O-N 3.38Å
136G95.7Very high98.1Very high52 Ų5253.6 Ų53.654%0.53628%0.278SS..THydrogen-bonded Turntrans76.79.2-179.700000114.5Q101 L134Q101-G136 PolarHBondContact NE2-O 2.91Å; L134-G136 PolarHBondContact O-N 3.31Å
137A98.2Very high98.1Very high24 Ų2453.6 Ų53.620%0.19828%0.278CS..  trans-64.5133.3171.600000111.7A98 A99 K131 L134 P135A98-A137 HydrophobicContact CB-CB 4.18Å; A98-A137 CarbonylContact O-C 3.59Å; A98-A137 VanDerWaalsContact O-CA 3.31Å; A98-A137 WeakPolarHBondContact O-CA 3.18Å; A99-A137 HydrophobicContact CB-CB 4.21Å; K131-A137 WeakPolarHBondContact O-CB 3.46Å; L134-A137 VanDerWaalsContact O-CB 3.26Å; L134-A137 WeakPolarHBondContact O-CB 3.39Å; L134-A137 PolarHBondContact O-N 2.9Å; P135-A137 VanDerWaalsContact C-N 3.25Å; P135-A137 PolarHBondContact O-N 3.38Å
138L98.4Very high98.1Very high1 Ų157 Ų571%0.00530%0.296CS..  trans-68.4137.7178.5-57.8175.3000111.7A98 Q101 I104 E142 L143 K146 S161A98-L138 HydrophobicContact CB-CB 4.42Å; A98-L138 WeakPolarHBondContact O-CG 2.96Å; A98-L138 PolarHBondContact O-N 3.01Å; Q101-L138 HydrophobicContact CG-CD2 4.26Å; Q101-L138 HydrophobicContact CG-CG 4.45Å; I104-L138 HydrophobicContact CD1-CD1 3.74Å; I104-L138 HydrophobicContact CG1-CD1 3.85Å; L138-E142 WeakPolarHBondContact CA-OE2 3.5Å; L138-E142 HydrophobicContact CB-CB 4.02Å; L138-E142 HydrophobicContact CD2-CB 4.01Å; L138-E142 HydrophobicContact CG-CB 4.48Å; L138-L143 HydrophobicContact CB-CD2 4.1Å; L138-L143 HydrophobicContact CB-CG 3.84Å; L138-L143 HydrophobicContact CD1-CD2 4.03Å; L138-L143 HydrophobicContact CD1-CG 4.49Å; L138-K146 HydrophobicContact CD1-CD 3.73Å; L138-K146 HydrophobicContact CD2-CD 4.1Å; L138-K146 VanDerWaalsContact CD2-NZ 3.28Å; L138-S161 PolarHBondContact O-OG 3.39Å
139D97.8Very high98.1Very high63 Ų6357.3 Ų57.334%0.33730%0.298SS..  trans-78.2176.5169.376.720000112.2K141 E142 L143D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.78Å; D139-K141 WeakPolarHBondContact OD1-CA 3.43Å; D139-K141 WeakPolarHBondContact OD1-CB 3.09Å; D139-K141 PolarHBondContact OD1-N 3.41Å; D139-E142 PolarHBondContact N-OE2 3.01Å; D139-E142 PolarHBondContact O-N 3.03Å; D139-E142 WeakPolarHBondContact OD1-CG 3.34Å; D139-E142 PolarHBondContact OD1-N 2.85Å; D139-L143 WeakPolarHBondContact O-CB 3.41Å; D139-L143 WeakPolarHBondContact O-CD1 3.49Å; D139-L143 VanDerWaalsContact O-CG 3.27Å; D139-L143 WeakPolarHBondContact O-CG 3.5Å; D139-L143 PolarHBondContact O-N 2.84Å
140E98.1Very high98Very high49 Ų4961.3 Ų61.323%0.22933%0.326CS..Hα-helixtrans-57.1-38.7179.4-7083.317700113.3R132 I144 S161R132-E140 IonicContact CZ-OE2 3.06Å; R132-E140 IonicContact NH1-OE1 3.94Å; R132-E140 PolarHBondContact NH1-OE1 3.01Å; R132-E140 IonicContact NH1-OE2 2.67Å; R132-E140 PolarHBondContact NH1-OE2 3.23Å; E140-I144 WeakPolarHBondContact O-CB 3.31Å; E140-I144 WeakPolarHBondContact O-CD1 3.13Å; E140-I144 WeakPolarHBondContact O-CG1 3.46Å; E140-I144 PolarHBondContact O-N 3.5Å; E140-S161 WeakPolarHBondContact OE1-CA 3.21Å; E140-S161 WeakPolarHBondContact OE1-CB 3.49Å; E140-S161 PolarHBondContact OE1-N 2.81Å
141K98.3Very high98Very high157 Ų15763.6 Ų63.668%0.68335%0.345SS*.Hα-helixtrans-70.9-45.9-176.9-177-174.8174.3-170.20110.3D139 L143 I144 E145D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.78Å; D139-K141 WeakPolarHBondContact OD1-CA 3.43Å; D139-K141 WeakPolarHBondContact OD1-CB 3.09Å; D139-K141 PolarHBondContact OD1-N 3.41Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.36Å; K141-I144 PolarHBondContact O-N 3.05Å; K141-E145 PolarHBondContact O-N 2.96Å
142E98.6Very high98Very high79 Ų7962 Ų6237%0.36934%0.339SS..Hα-helixtrans-63.7-37.8176.6-67.1178.4121.300111.8L138 D139 E145 K146L138-E142 WeakPolarHBondContact CA-OE2 3.5Å; L138-E142 HydrophobicContact CB-CB 4.02Å; L138-E142 HydrophobicContact CD2-CB 4.01Å; L138-E142 HydrophobicContact CG-CB 4.48Å; D139-E142 PolarHBondContact N-OE2 3.01Å; D139-E142 PolarHBondContact O-N 3.03Å; D139-E142 WeakPolarHBondContact OD1-CG 3.34Å; D139-E142 PolarHBondContact OD1-N 2.85Å; E142-E145 PolarHBondContact O-N 3.32Å; E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.12Å; E142-K146 WeakPolarHBondContact O-CG 3.31Å; E142-K146 PolarHBondContact O-N 2.99Å
143L98.6Very high97.9Very high0 Ų065.2 Ų65.20%036%0.358CS..Hα-helixtrans-64.4-46.8173.7-75.8163.4000111.7V96 A98 I104 L138 D139 K141 E145 M147V96-L143 HydrophobicContact CB-CD2 4.48Å; V96-L143 HydrophobicContact CG1-CD2 4.08Å; A98-L143 HydrophobicContact CB-CD1 4.5Å; I104-L143 HydrophobicContact CD1-CD2 4.49Å; L138-L143 HydrophobicContact CB-CD2 4.1Å; L138-L143 HydrophobicContact CB-CG 3.84Å; L138-L143 HydrophobicContact CD1-CD2 4.03Å; L138-L143 HydrophobicContact CD1-CG 4.49Å; D139-L143 WeakPolarHBondContact O-CB 3.41Å; D139-L143 WeakPolarHBondContact O-CD1 3.49Å; D139-L143 VanDerWaalsContact O-CG 3.27Å; D139-L143 WeakPolarHBondContact O-CG 3.5Å; D139-L143 PolarHBondContact O-N 2.84Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.36Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 2.91Å; L143-M147 HydrophobicContact CD2-CG 4.5Å; L143-M147 WeakPolarHBondContact O-CA 3.31Å; L143-M147 WeakPolarHBondContact O-CB 3.39Å; L143-M147 VanDerWaalsContact O-CG 3.31Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 2.87Å
144I98.6Very high97.8Very high72 Ų7266.3 Ų66.337%0.36936%0.364SS..Hα-helixtrans-56.9-44.1177.6-73.5161.9000110.8E140 K141 N148 L149 C159E140-I144 WeakPolarHBondContact O-CB 3.31Å; E140-I144 WeakPolarHBondContact O-CD1 3.13Å; E140-I144 WeakPolarHBondContact O-CG1 3.46Å; E140-I144 PolarHBondContact O-N 3.5Å; K141-I144 PolarHBondContact O-N 3.05Å; I144-N148 PolarHBondContact O-N 2.99Å; I144-L149 HydrophobicContact CG1-CD1 4.06Å; I144-L149 HydrophobicContact CG2-CB 4.44Å; I144-L149 PolarHBondContact O-N 3.45Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å
145E98.6Very high97.8Very high143 Ų14364 Ų6467%0.66835%0.351SS*.Hα-helixtrans-68.5-57178.7-175.3175.3178.500111.8K141 E142 L143 M147 N148K141-E145 PolarHBondContact O-N 2.96Å; E142-E145 PolarHBondContact O-N 3.32Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 2.91Å; E145-M147 PolarHBondContact O-N 3.36Å; E145-N148 PolarHBondContact O-N 3.23Å
146K98.6Very high97.9Very high76 Ų7662.6 Ų62.633%0.3333%0.333SS..Hα-helixtrans-68.8-31.9-174.5-69.8-177175.4175.50113.3I104 K108 L138 E142 N148I104-K146 HydrophobicContact CG2-CB 3.71Å; I104-K146 HydrophobicContact CG2-CD 4.4Å; K108-K146 WeakPolarHBondContact CD-O 3.45Å; L138-K146 HydrophobicContact CD1-CD 3.73Å; L138-K146 HydrophobicContact CD2-CD 4.1Å; L138-K146 VanDerWaalsContact CD2-NZ 3.28Å; E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.12Å; E142-K146 WeakPolarHBondContact O-CG 3.31Å; E142-K146 PolarHBondContact O-N 2.99Å; K146-N148 VanDerWaalsContact C-N 3.25Å
147M98.7Very high98Very high0 Ų062.3 Ų62.30%032%0.319CS..THydrogen-bonded Turntrans-84.2-1.3173.7-61.2-70-64.200112.5Y94 V96 I104 K108 L111 H112 L143 E145 L149Y94-M147 HydrophobicContact CD1-CE 4.33Å; Y94-M147 HydrophobicContact CE1-CE 3.86Å; V96-M147 HydrophobicContact CG1-SD 4.29Å; V96-M147 HydrophobicContact CG2-CE 3.73Å; V96-M147 HydrophobicContact CG2-SD 4.15Å; I104-M147 HydrophobicContact CG2-SD 4.01Å; K108-M147 HydrophobicContact CB-CE 4.36Å; K108-M147 HydrophobicContact CB-SD 4.09Å; L111-M147 HydrophobicContact CB-CE 4.24Å; L111-M147 HydrophobicContact CD2-CE 3.86Å; H112-M147 PolarHBondContact NE2-O 3.18Å; L143-M147 HydrophobicContact CD2-CG 4.5Å; L143-M147 WeakPolarHBondContact O-CA 3.31Å; L143-M147 WeakPolarHBondContact O-CB 3.39Å; L143-M147 VanDerWaalsContact O-CG 3.31Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 2.87Å; E145-M147 PolarHBondContact O-N 3.36Å; M147-L149 VanDerWaalsContact C-N 3.29Å; M147-L149 HydrophobicContact CB-CD2 3.55Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.96Å
148N98.6Very high98Very high71 Ų7162.4 Ų62.438%0.3832%0.318SS..THydrogen-bonded Turntrans5146.5-179.5-169.733.2000112.5K108 H112 I144 E145 K146 S150 A151K108-N148 HydrophobicContact CD-CB 4.2Å; H112-N148 PolarHBondContact CE1-O 3.29Å; H112-N148 VanDerWaalsContact CE1-O 3.28Å; H112-N148 PolarHBondContact NE2-O 2.98Å; I144-N148 PolarHBondContact O-N 2.99Å; E145-N148 PolarHBondContact O-N 3.23Å; K146-N148 VanDerWaalsContact C-N 3.25Å; N148-S150 PolarHBondContact O-N 3.27Å; N148-A151 VanDerWaalsContact ND2-CB 3.34Å; N148-A151 WeakPolarHBondContact ND2-CB 3.33Å; N148-A151 PolarHBondContact O-N 2.85Å
149L98.7Very high98Very high6 Ų663.1 Ų63.13%0.03132%0.323CS..G310 helixtrans-70.1-24.9-174.1-57.5-172.3000112.3L111 V127 I144 M147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.63Å; V127-L149 HydrophobicContact CB-CD1 4.05Å; V127-L149 HydrophobicContact CG1-CD1 4.27Å; V127-L149 HydrophobicContact CG2-CD1 3.89Å; V127-L149 HydrophobicContact CG2-CD2 3.96Å; I144-L149 HydrophobicContact CG1-CD1 4.06Å; I144-L149 HydrophobicContact CG2-CB 4.44Å; I144-L149 PolarHBondContact O-N 3.45Å; M147-L149 VanDerWaalsContact C-N 3.29Å; M147-L149 HydrophobicContact CB-CD2 3.55Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.96Å; L149-A151 PolarHBondContact O-N 3.33Å; L149-I152 HydrophobicContact CD2-CD1 4.23Å; L149-I152 WeakPolarHBondContact O-CB 3.47Å; L149-I152 PolarHBondContact O-N 3.44Å; L149-I152 VanDerWaalsContact O-N 3.12Å; L149-I157 HydrophobicContact CB-CD1 4.14Å; L149-I157 HydrophobicContact CD1-CD1 4.49Å; L149-I157 HydrophobicContact CD2-CD1 3.97Å; L149-I157 HydrophobicContact CG-CD1 4.42Å; L149-C159 HydrophobicContact CD1-CB 3.8Å
150S97.1Very high98Very high85 Ų8562.6 Ų62.659%0.59432%0.316SS*.G310 helixtrans-66.3-19.3176.754.70000114.1N148 I152N148-S150 PolarHBondContact O-N 3.27Å; S150-I152 VanDerWaalsContact C-N 3.26Å
151A97.9Very high98.1Very high53 Ų5360.2 Ų60.244%0.43831%0.305SS..G310 helixtrans-74.7-17.317400000112.9N148 L149 Q153N148-A151 VanDerWaalsContact ND2-CB 3.34Å; N148-A151 WeakPolarHBondContact ND2-CB 3.33Å; N148-A151 PolarHBondContact O-N 2.85Å; L149-A151 PolarHBondContact O-N 3.33Å; A151-Q153 PolarHBondContact O-N 2.89Å
152I98Very high98.1Very high17 Ų1752.8 Ų52.89%0.08727%0.273CS..  trans-86.5106.9179.2-60.9158.9000108.2L111 L115 L149 S150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.43Å; L115-I152 HydrophobicContact CD1-CD1 3.47Å; L115-I152 VanDerWaalsContact CD1-CD1 3.47Å; L115-I152 HydrophobicContact CD1-CG1 4.07Å; L115-I152 HydrophobicContact CD1-CG2 4.18Å; L149-I152 HydrophobicContact CD2-CD1 4.23Å; L149-I152 WeakPolarHBondContact O-CB 3.47Å; L149-I152 PolarHBondContact O-N 3.44Å; L149-I152 VanDerWaalsContact O-N 3.12Å; S150-I152 VanDerWaalsContact C-N 3.26Å; I152-R155 HydrophobicContact CG2-CG 3.65Å; I152-I157 HydrophobicContact CB-CD1 4.21Å; I152-I157 HydrophobicContact CD1-CD1 3.46Å; I152-I157 VanDerWaalsContact CD1-CD1 3.46Å; I152-I157 HydrophobicContact CG1-CD1 4.44Å; I152-I157 HydrophobicContact CG2-CD1 4.24Å
153Q96Very high98.1Very high172 Ų17249 Ų4980%0.80426%0.255SS*.  trans-120.9-6.2-173-62.1-175-9.500114A151 R155A151-Q153 PolarHBondContact O-N 2.89Å; Q153-R155 VanDerWaalsContact C-N 3.35Å
154D95.6Very high98Very high75 Ų7549 Ų4940%0.40126%0.256SS..SBendtrans-90.84.3-173.873.7-38.3000113.8
155R97.3Very high97.8Very high24 Ų2449.8 Ų49.89%0.09126%0.256CS..SBendtrans-159.5164-174.464.7-164.468.8-144.55.9111.4L115 L120 I123 I152 Q153L115-R155 PolarHBondContact O-NH2 2.89Å; L120-R155 PolarHBondContact O-NH1 3.25Å; L120-R155 PolarHBondContact O-NH2 3.47Å; I123-R155 WeakPolarHBondContact O-CD 3.43Å; I123-R155 PolarHBondContact O-NH1 2.77Å; I152-R155 HydrophobicContact CG2-CG 3.65Å; Q153-R155 VanDerWaalsContact C-N 3.35Å
156E97.8Very high97.7Very high96 Ų9648 Ų4845%0.44925%0.248SC..  trans-67.4132.8164.6-177.8175.8162.600110.1P124 V125 W176 H180P124-E156 WeakPolarHBondContact CA-O 3.07Å; P124-E156 HydrophobicContact CB-CB 4.35Å; V125-E156 PolarHBondContact N-O 3.26Å; E156-W176 HydrophobicContact CG-CZ2 4.3Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.46Å; E156-W176 PolarHBondContact OE1-NE1 3.36Å; E156-H180 IonicContact OE1-CE1 3.39Å; E156-H180 PolarHBondContact OE1-CE1 2.91Å; E156-H180 IonicContact OE1-NE2 3.49Å; E156-H180 PolarHBondContact OE1-NE2 3.02Å; E156-H180 IonicContact OE2-CE1 3.89Å; E156-H180 IonicContact OE2-NE2 3.21Å; E156-H180 PolarHBondContact OE2-NE2 3.14Å
157I98.2Very high97.6Very high46 Ų4649.5 Ų49.524%0.23625%0.254CS..EExtended strand (participates in β ladder)trans-133.3132.4173.5-169.7160.2000110.6V125 V127 L149 I152V125-I157 HydrophobicContact CB-CD1 4.35Å; V125-I157 HydrophobicContact CB-CG1 4.2Å; V125-I157 HydrophobicContact CG1-CD1 4.27Å; V125-I157 HydrophobicContact CG1-CG1 4.38Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.49Å; V127-I157 HydrophobicContact CG2-CD1 4.21Å; V127-I157 HydrophobicContact CG2-CG1 4.42Å; L149-I157 HydrophobicContact CB-CD1 4.14Å; L149-I157 HydrophobicContact CD1-CD1 4.49Å; L149-I157 HydrophobicContact CD2-CD1 3.97Å; L149-I157 HydrophobicContact CG-CD1 4.42Å; I152-I157 HydrophobicContact CB-CD1 4.21Å; I152-I157 HydrophobicContact CD1-CD1 3.46Å; I152-I157 VanDerWaalsContact CD1-CD1 3.46Å; I152-I157 HydrophobicContact CG1-CD1 4.44Å; I152-I157 HydrophobicContact CG2-CD1 4.24Å
158C98.2Very high97.5Very high26 Ų2653 Ų5318%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-127.2151.9175.7-166.90000110V125 L126 V127 Y160 W176V125-C158 PolarHBondContact O-N 3.44Å; L126-C158 HydrophobicContact CD1-CB 3.84Å; V127-C158 PolarHBondContact N-O 3.37Å; C158-Y160 VanDerWaalsContact SG-CZ 3.59Å; C158-W176 HydrophobicContact CB-CD2 4.4Å; C158-W176 HydrophobicContact CB-CZ2 3.86Å
159C98.7Very high97.4Very high15 Ų1552.4 Ų52.410%0.10127%0.27CS..EExtended strand (participates in β ladder)trans-134.9126.8179.8-174.80000110.5V127 I144 L149V127-C159 HydrophobicContact CB-CB 4.38Å; V127-C159 VanDerWaalsContact O-CA 3.3Å; V127-C159 WeakPolarHBondContact O-CA 3.41Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å; L149-C159 HydrophobicContact CD1-CB 3.8Å
160Y98.6Very high97.3Very high52 Ų5252.5 Ų52.520%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-127141.2172.5-63-41.7000110.8L126 V127 L128 G129 C158 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.86Å; L126-Y160 HydrophobicContact CD1-CE2 4.08Å; V127-Y160 PolarHBondContact O-N 2.8Å; L128-Y160 WeakPolarHBondContact CA-O 3.39Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; G129-Y160 PolarHBondContact N-O 2.93Å; C158-Y160 VanDerWaalsContact SG-CZ 3.59Å; Y160-I172 HydrophobicContact CD1-CD1 4.18Å; Y160-I172 HydrophobicContact CE1-CD1 4.32Å; Y160-I172 HydrophobicContact CG-CD1 4.35Å; Y160-W176 HydrophobicContact CE2-CB 3.9Å; Y160-W176 HydrophobicContact CE2-CG 4.27Å
161S98.3Very high97.1Very high0 Ų054.1 Ų54.10%027%0.272CS..EExtended strand (participates in β ladder)trans-95.3125.1168.7-174.70000108.4G129 R132 L138 E140 N169G129-S161 CarbonylContact O-C 3.56Å; G129-S161 WeakPolarHBondContact O-CA 3.3Å; R132-S161 WeakPolarHBondContact CD-OG 3.44Å; R132-S161 WeakPolarHBondContact CG-OG 3.3Å; L138-S161 PolarHBondContact O-OG 3.39Å; E140-S161 WeakPolarHBondContact OE1-CA 3.21Å; E140-S161 WeakPolarHBondContact OE1-CB 3.49Å; E140-S161 PolarHBondContact OE1-N 2.81Å; S161-N169 PolarHBondContact O-ND2 2.86Å
162I98.6Very high97Very high0 Ų054.6 Ų54.60%027%0.267CS..  trans-130.5162.2-169.570.5167.6000111.3F36 M95 L128 G129 N130 K131 R132 D168 N169 I170F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.25Å; M95-I162 HydrophobicContact CE-CD1 4.32Å; M95-I162 HydrophobicContact SD-CD1 4.48Å; L128-I162 HydrophobicContact CB-CD1 4.08Å; L128-I162 HydrophobicContact CB-CG1 4.46Å; L128-I162 HydrophobicContact CD1-CD1 4.03Å; L128-I162 HydrophobicContact CD2-CG2 4.16Å; L128-I162 HydrophobicContact CG-CD1 4.44Å; G129-I162 PolarHBondContact O-N 2.86Å; N130-I162 CarbonylContact C-O 3.43Å; N130-I162 WeakPolarHBondContact CA-O 3.38Å; N130-I162 HydrophobicContact CB-CD1 4.33Å; N130-I162 HydrophobicContact CB-CG1 3.97Å; K131-I162 PolarHBondContact N-O 2.82Å; K131-I162 VanDerWaalsContact N-O 3.15Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.24Å; I162-D168 WeakPolarHBondContact CB-O 3.27Å; I162-N169 HydrophobicContact CB-CB 4.47Å; I162-N169 HydrophobicContact CG2-CB 3.87Å; I162-I170 HydrophobicContact CB-CD1 4.46Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å
163S98.2Very high96.9Very high0 Ų053.8 Ų53.80%026%0.262CS..  trans-124116.1160.7179.20000109.4D133 K165 E166 K167 D168D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 VanDerWaalsContact OD1-CB 3.31Å; D133-S163 WeakPolarHBondContact OD1-CB 3.41Å; D133-S163 PolarHBondContact OD1-OG 2.84Å; S163-K165 PolarHBondContact O-N 2.79Å; S163-K165 PolarHBondContact OG-N 3.22Å; S163-E166 PolarHBondContact OG-N 3.45Å; S163-K167 CarbonylContact O-C 3.6Å; S163-K167 WeakPolarHBondContact O-CA 3.37Å; S163-K167 PolarHBondContact O-N 3.07Å; S163-D168 PolarHBondContact N-O 3.02Å; S163-D168 PolarHBondContact O-N 3.14Å; S163-D168 VanDerWaalsContact O-N 3.14Å
164C97Very high96.8Very high1 Ų146.5 Ų46.51%0.00723%0.229CC..THydrogen-bonded Turntrans-67.2-26.8168.6-66.90000112.1T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.71Å; V39-C164 HydrophobicContact CG2-CB 4.15Å; V39-C164 VanDerWaalsContact CG2-O 3.31Å; V39-C164 WeakPolarHBondContact CG2-O 3.48Å; N130-C164 PolarHBondContact OD1-N 3.38Å; N130-C164 PolarHBondContact OD1-SG 3.15Å
165K95.8Very high96.7Very high87 Ų8748.5 Ų48.538%0.37824%0.236SC..THydrogen-bonded Turntrans-73.4-55.5-178.8179.6-179.3172.4-175.80110.8F45 S163 K167F45-K165 HydrophobicContact CD1-CG 4.12Å; F45-K165 HydrophobicContact CD2-CB 4.24Å; F45-K165 HydrophobicContact CE1-CB 4.16Å; F45-K165 HydrophobicContact CE1-CD 4.18Å; F45-K165 HydrophobicContact CE1-CG 3.7Å; F45-K165 HydrophobicContact CE2-CB 3.88Å; F45-K165 HydrophobicContact CE2-CG 4.34Å; F45-K165 HydrophobicContact CZ-CB 3.85Å; F45-K165 HydrophobicContact CZ-CD 4.23Å; F45-K165 HydrophobicContact CZ-CG 3.86Å; S163-K165 PolarHBondContact O-N 2.79Å; S163-K165 PolarHBondContact OG-N 3.22Å; K165-K167 VanDerWaalsContact C-N 3.32Å
166E96.2Very high96.5Very high106 Ų10648 Ų4850%0.49523%0.234SC..THydrogen-bonded Turntrans-86-7.8-178.5-56.1-54.1145.200112.8D133 S163 D168D133-E166 HydrophobicContact CB-CG 3.77Å; S163-E166 PolarHBondContact OG-N 3.45Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 3.48Å
167K95.1Very high96.3Very high108 Ų10843.4 Ų43.447%0.4721%0.213SC..  trans66.424.5-177.7-52.1173.8-178.9173.90114V39 G43 S163 K165 I170V39-K167 HydrophobicContact CG1-CG 4.32Å; G43-K167 WeakPolarHBondContact O-CE 3.44Å; G43-K167 PolarHBondContact O-NZ 3.28Å; S163-K167 CarbonylContact O-C 3.6Å; S163-K167 WeakPolarHBondContact O-CA 3.37Å; S163-K167 PolarHBondContact O-N 3.07Å; K165-K167 VanDerWaalsContact C-N 3.32Å; K167-I170 HydrophobicContact CB-CG1 4.26Å
168D97.1Very high95.9Very high73 Ų7344 Ų4439%0.3922%0.215SC..THydrogen-bonded Turntrans-65.1134.4174.5-64.4-26.8000111.3I162 S163 E166 I170I162-D168 WeakPolarHBondContact CB-O 3.27Å; S163-D168 PolarHBondContact N-O 3.02Å; S163-D168 PolarHBondContact O-N 3.14Å; S163-D168 VanDerWaalsContact O-N 3.14Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 3.48Å; D168-I170 PolarHBondContact O-N 2.94Å
169N97.6Very high95.5Very high58 Ų5849.8 Ų49.831%0.3124%0.24SC..THydrogen-bonded Turntrans58.314.5174.9-68.2-21.2000115.7S161 I162 D171 I172 T173S161-N169 PolarHBondContact O-ND2 2.86Å; I162-N169 HydrophobicContact CB-CB 4.47Å; I162-N169 HydrophobicContact CG2-CB 3.87Å; N169-D171 VanDerWaalsContact C-N 3.35Å; N169-I172 HydrophobicContact CB-CD1 3.76Å; N169-I172 HydrophobicContact CB-CG1 3.84Å; N169-I172 WeakPolarHBondContact O-CG1 3.3Å; N169-T173 WeakPolarHBondContact O-CB 3.19Å; N169-T173 PolarHBondContact O-N 3.49Å; N169-T173 VanDerWaalsContact O-N 3.17Å; N169-T173 PolarHBondContact O-OG1 3.01Å
170I95.8Very high95.1Very high9 Ų950.6 Ų50.65%0.04624%0.243CC..Hα-helixtrans-66-38.7175.3-59.7-55.3000111.2F36 V39 I40 I162 K167 D168 T173 L174F36-I170 HydrophobicContact CD2-CD1 4.18Å; F36-I170 HydrophobicContact CE2-CD1 4.1Å; V39-I170 HydrophobicContact CG1-CG1 4.26Å; V39-I170 HydrophobicContact CG1-CG2 4.41Å; I40-I170 HydrophobicContact CG2-CG2 4.22Å; I162-I170 HydrophobicContact CB-CD1 4.46Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å; K167-I170 HydrophobicContact CB-CG1 4.26Å; D168-I170 PolarHBondContact O-N 2.94Å; I170-T173 WeakPolarHBondContact O-CB 3.33Å; I170-T173 PolarHBondContact O-N 3.42Å; I170-L174 HydrophobicContact CG2-CD1 4.2Å; I170-L174 HydrophobicContact CG2-CG 4.46Å; I170-L174 WeakPolarHBondContact O-CG 3.44Å; I170-L174 PolarHBondContact O-N 3.36Å
171D93.7Very high94.5Very high119 Ų11949 Ų4964%0.63624%0.239SC*.Hα-helixtrans-67.5-45.6-177.4-68.3-15.4000112.2N169 T173 L174 Q175N169-D171 VanDerWaalsContact C-N 3.35Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.32Å; D171-L174 PolarHBondContact O-N 3.06Å; D171-Q175 VanDerWaalsContact O-CG 3.32Å; D171-Q175 WeakPolarHBondContact O-CG 3.31Å; D171-Q175 PolarHBondContact O-N 2.79Å
172I95.3Very high93.3Very high62 Ų6255 Ų5532%0.31827%0.265SS..Hα-helixtrans-65.1-34.5176.264.3171.7000111.6Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.18Å; Y160-I172 HydrophobicContact CE1-CD1 4.32Å; Y160-I172 HydrophobicContact CG-CD1 4.35Å; N169-I172 HydrophobicContact CB-CD1 3.76Å; N169-I172 HydrophobicContact CB-CG1 3.84Å; N169-I172 WeakPolarHBondContact O-CG1 3.3Å; I172-Q175 PolarHBondContact O-N 2.86Å; I172-W176 PolarHBondContact O-N 3.12Å
173T96.2Very high91.3Very high0 Ų058.2 Ų58.20%029%0.288CS..Hα-helixtrans-62.2-47.6173.6-65.70000110.7F36 L126 L128 N169 I170 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.87Å; F36-T173 HydrophobicContact CZ-CG2 3.7Å; L126-T173 HydrophobicContact CD2-CG2 3.91Å; L128-T173 HydrophobicContact CD1-CG2 3.86Å; L128-T173 HydrophobicContact CD2-CG2 3.85Å; N169-T173 WeakPolarHBondContact O-CB 3.19Å; N169-T173 PolarHBondContact O-N 3.49Å; N169-T173 VanDerWaalsContact O-N 3.17Å; N169-T173 PolarHBondContact O-OG1 3.01Å; I170-T173 WeakPolarHBondContact O-CB 3.33Å; I170-T173 PolarHBondContact O-N 3.42Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.32Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.03Å; T173-W176 PolarHBondContact O-N 2.67Å; T173-L177 HydrophobicContact CG2-CD1 4.26Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.47Å; T173-L177 PolarHBondContact O-N 3.34Å; T173-L177 VanDerWaalsContact O-N 3.08Å
174L93.3Very high89Confident20 Ų2066 Ų6611%0.10532%0.317CS..Hα-helixtrans-65.1-37176.8-73.4176000112.3I40 I170 D171 L177 I178I40-L174 HydrophobicContact CB-CD2 4.32Å; I40-L174 HydrophobicContact CG2-CD1 4.49Å; I40-L174 HydrophobicContact CG2-CD2 3.99Å; I40-L174 HydrophobicContact CG2-CG 4.43Å; I170-L174 HydrophobicContact CG2-CD1 4.2Å; I170-L174 HydrophobicContact CG2-CG 4.46Å; I170-L174 WeakPolarHBondContact O-CG 3.44Å; I170-L174 PolarHBondContact O-N 3.36Å; D171-L174 PolarHBondContact O-N 3.06Å; L174-L177 PolarHBondContact O-N 3.16Å; L174-I178 WeakPolarHBondContact O-CB 3.41Å; L174-I178 WeakPolarHBondContact O-CD1 3.45Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.26Å; L174-I178 PolarHBondContact O-N 3.24Å
175Q92.6Very high86.5Confident116 Ų11676.9 Ų76.954%0.54236%0.358SS..Hα-helixtrans-62.4-48175.9-74173.34.400111.8D171 I172 T173 L177 I178 Q179D171-Q175 VanDerWaalsContact O-CG 3.32Å; D171-Q175 WeakPolarHBondContact O-CG 3.31Å; D171-Q175 PolarHBondContact O-N 2.79Å; I172-Q175 PolarHBondContact O-N 2.86Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.03Å; Q175-L177 VanDerWaalsContact C-N 3.3Å; Q175-L177 PolarHBondContact O-N 3.35Å; Q175-I178 PolarHBondContact O-N 2.64Å; Q175-Q179 WeakPolarHBondContact O-CG 3.29Å; Q175-Q179 PolarHBondContact O-N 3.27Å
176W94.7Very high83.6Confident13 Ų1379.9 Ų79.95%0.04939%0.39CS..Hα-helixtrans-59.5-42.1176-17393.6000111.4A91 P124 L126 E156 C158 Y160 I172 T173 Q179 H180A91-W176 HydrophobicContact CB-CH2 4.31Å; A91-W176 HydrophobicContact CB-CZ3 3.97Å; P124-W176 HydrophobicContact CB-CH2 3.95Å; L126-W176 HydrophobicContact CB-CE3 3.94Å; L126-W176 HydrophobicContact CB-CH2 4.01Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.11Å; L126-W176 HydrophobicContact CD1-CE3 4.09Å; L126-W176 HydrophobicContact CD1-CZ3 4.49Å; L126-W176 HydrophobicContact CD2-CD2 4.46Å; L126-W176 HydrophobicContact CD2-CE3 3.76Å; L126-W176 HydrophobicContact CD2-CZ3 4.21Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.31Å; E156-W176 HydrophobicContact CG-CZ2 4.3Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.46Å; E156-W176 PolarHBondContact OE1-NE1 3.36Å; C158-W176 HydrophobicContact CB-CD2 4.4Å; C158-W176 HydrophobicContact CB-CZ2 3.86Å; Y160-W176 HydrophobicContact CE2-CB 3.9Å; Y160-W176 HydrophobicContact CE2-CG 4.27Å; I172-W176 PolarHBondContact O-N 3.12Å; T173-W176 PolarHBondContact O-N 2.67Å; W176-Q179 PolarHBondContact O-N 2.9Å; W176-H180 AromaticContact CD2-CE1 3.79Å; W176-H180 AromaticContact CD2-ND1 3.79Å; W176-H180 AromaticContact CE2-CE1 3.32Å; W176-H180 AromaticContact CE2-ND1 3.8Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.66Å; W176-H180 AromaticContact CH2-ND1 3.87Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.28Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.31Å; W176-H180 AromaticContact CZ2-ND1 3.88Å; W176-H180 AromaticContact CZ2-NE2 3.74Å; W176-H180 AromaticContact CZ3-ND1 3.79Å; W176-H180 AromaticContact NE1-CE1 3.71Å; W176-H180 PolarHBondContact O-ND1 3.32Å
177L93.7Very high82.9Confident1 Ų178.6 Ų78.61%0.00539%0.385CS..Hα-helixtrans-62.9-45.1176.7-72.7174.6000112.4M21 L23 F36 V93 L126 T173 L174 Q175 Q179 H180 S181M21-L177 HydrophobicContact CE-CB 4.04Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å; L23-L177 HydrophobicContact CD1-CD1 3.87Å; L23-L177 HydrophobicContact CD1-CD2 3.76Å; L23-L177 HydrophobicContact CD1-CG 4.26Å; L23-L177 HydrophobicContact CD2-CD2 3.89Å; L23-L177 HydrophobicContact CG-CD2 4.5Å; F36-L177 HydrophobicContact CZ-CD1 4.48Å; V93-L177 HydrophobicContact CG2-CD2 3.87Å; L126-L177 HydrophobicContact CD2-CD1 4.45Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 3.95Å; T173-L177 HydrophobicContact CG2-CD1 4.26Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.47Å; T173-L177 PolarHBondContact O-N 3.34Å; T173-L177 VanDerWaalsContact O-N 3.08Å; L174-L177 PolarHBondContact O-N 3.16Å; Q175-L177 VanDerWaalsContact C-N 3.3Å; Q175-L177 PolarHBondContact O-N 3.35Å; L177-Q179 VanDerWaalsContact C-N 3.3Å; L177-Q179 PolarHBondContact O-N 3.06Å; L177-H180 WeakPolarHBondContact O-CB 3.41Å; L177-H180 PolarHBondContact O-N 3.2Å; L177-S181 PolarHBondContact O-N 2.58Å
178I89.5Confident82.3Confident57 Ų5777.1 Ų77.129%0.29238%0.38SS..Hα-helixtrans-64.6-34.8-179.6-73.3165000111.6V65 L174 Q175 H180 S181V65-I178 HydrophobicContact CG2-CG1 4.3Å; V65-I178 HydrophobicContact CG2-CG2 4Å; L174-I178 WeakPolarHBondContact O-CB 3.41Å; L174-I178 WeakPolarHBondContact O-CD1 3.45Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.26Å; L174-I178 PolarHBondContact O-N 3.24Å; Q175-I178 PolarHBondContact O-N 2.64Å; I178-H180 PolarHBondContact O-N 3.45Å; I178-S181 VanDerWaalsContact O-CB 3.24Å; I178-S181 WeakPolarHBondContact O-CB 3.32Å; I178-S181 PolarHBondContact O-N 2.98Å; I178-S181 PolarHBondContact O-OG 3.45Å
179Q89.3Confident81.5Confident148 Ų14877.3 Ų77.369%0.69238%0.38SS*.Hα-helixtrans-61.4-23.3174.3-71.5170.3500113Q175 W176 L177Q175-Q179 WeakPolarHBondContact O-CG 3.29Å; Q175-Q179 PolarHBondContact O-N 3.27Å; W176-Q179 PolarHBondContact O-N 2.9Å; L177-Q179 VanDerWaalsContact C-N 3.3Å; L177-Q179 PolarHBondContact O-N 3.06Å
180H90.5Very high80.5Confident33 Ų3378.4 Ų78.415%0.15338%0.384CS..THydrogen-bonded Turntrans-95.35.6175.6-68.783.8000113.4S90 E156 W176 L177 I178S90-H180 WeakPolarHBondContact CB-O 3.31Å; E156-H180 IonicContact OE1-CE1 3.39Å; E156-H180 PolarHBondContact OE1-CE1 2.91Å; E156-H180 IonicContact OE1-NE2 3.49Å; E156-H180 PolarHBondContact OE1-NE2 3.02Å; E156-H180 IonicContact OE2-CE1 3.89Å; E156-H180 IonicContact OE2-NE2 3.21Å; E156-H180 PolarHBondContact OE2-NE2 3.14Å; W176-H180 AromaticContact CD2-CE1 3.79Å; W176-H180 AromaticContact CD2-ND1 3.79Å; W176-H180 AromaticContact CE2-CE1 3.32Å; W176-H180 AromaticContact CE2-ND1 3.8Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.66Å; W176-H180 AromaticContact CH2-ND1 3.87Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.28Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.31Å; W176-H180 AromaticContact CZ2-ND1 3.88Å; W176-H180 AromaticContact CZ2-NE2 3.74Å; W176-H180 AromaticContact CZ3-ND1 3.79Å; W176-H180 AromaticContact NE1-CE1 3.71Å; W176-H180 PolarHBondContact O-ND1 3.32Å; L177-H180 WeakPolarHBondContact O-CB 3.41Å; L177-H180 PolarHBondContact O-N 3.2Å; I178-H180 PolarHBondContact O-N 3.45Å
181S85.3Confident79.6Confident18 Ų1882.8 Ų82.813%0.12641%0.405CS..PPolyproline II helixtrans-68.5141.1172.773.90000110.1E19 L177 I178E19-S181 PolarHBondContact OE2-OG 3.04Å; E19-S181 VanDerWaalsContact OE2-OG 3.09Å; L177-S181 PolarHBondContact O-N 2.58Å; I178-S181 VanDerWaalsContact O-CB 3.24Å; I178-S181 WeakPolarHBondContact O-CB 3.32Å; I178-S181 PolarHBondContact O-N 2.98Å; I178-S181 PolarHBondContact O-OG 3.45Å
182K72.9Confident78.6Confident125 Ų12580.3 Ų80.354%0.54339%0.39SS..BIsolated β-bridgetrans-89.4123.5178.4-67.8177.8-176.61710107.4R184K182-R184 PolarHBondContact O-N 3.5Å
183S58.4Low77.4Confident69 Ų6981.6 Ų81.648%0.48340%0.395SS..PPolyproline II helixtrans-60.2125.4161.1650000107.4R185S183-R185 PolarHBondContact O-N 3.29Å
184R48.6Very low76Confident162 Ų16287.9 Ų87.961%0.61143%0.425SS*.  trans-6984.2175.4-170.3172.3164.9-174.4-6.4107.6K182 S186K182-R184 PolarHBondContact O-N 3.5Å; R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 3.31Å
185R44.2Very low74.6Confident230 Ų23093.6 Ų93.687%0.86845%0.452SS*.  trans-68.993.8161.4-74.3-175.1174.1-177-1.3105.9S183S183-R185 PolarHBondContact O-N 3.29Å
186S34.9Very low72.9Confident151 Ų15191.5 Ų91.5100%1.05644%0.443SS*.  trans-64.20160.873.30000109.6R184R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 3.31Å

Retrieved 186 of 186 residues in 46 ms (Link to these results)

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