G4VEK3_SCHMA Loading...

DnaJ homolog subfamily B member 9

Co-chaperone for Hsp70 protein HSPA5/BiP that acts as a key repressor of the ERN1/IRE1-mediated unfolded protein response (UPR). J domain-containing co-chaperones stimulate the ATPase activity of Hsp70 proteins and are required for efficient substrate recognition by Hsp70 proteins. In the unstressed endoplasmic reticulum, interacts with the luminal region of ERN1/IRE1 and selectively recruits HSPA5/BiP: HSPA5/BiP disrupts the dimerization of the active ERN1/IRE1 luminal region, thereby inactivating ERN1/IRE1. Also involved in endoplasmic reticulum-associated degradation (ERAD) of misfolded proteins. Required for survival of B-cell progenitors and normal antibody production.

AlphaFold DB , UniProt , Accession G4VEK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 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
1M72Confident82.5Confident216 Ų216129.4 Ų129.4100%1.06463%0.632SS**  0-38.60-67.8-147-76.900113.1D3 L4M1-D3 PolarHBondContact O-N 2.99Å; M1-L4 PolarHBondContact O-N 3.25Å
2Q78Confident82.6Confident154 Ų154124.1 Ų124.172%0.7261%0.607SS**Hα-helixtrans-64.3-34.9-178.5-70.4178.1-17.600114.6L4 L5 K6Q2-L4 PolarHBondContact O-N 2.93Å; Q2-L5 PolarHBondContact O-N 3.37Å; Q2-K6 WeakPolarHBondContact O-CG 3.3Å; Q2-K6 PolarHBondContact O-N 2.8Å; Q2-K6 VanDerWaalsContact O-N 3.15Å
3D82.2Confident82.3Confident92 Ų92125.5 Ų125.549%0.49261%0.609SS.*Hα-helixtrans-69.4-35.3-178-56.3-51.4000112.7M1 L5 K6 Y7M1-D3 PolarHBondContact O-N 2.99Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 3.49Å; D3-K6 WeakPolarHBondContact O-CB 3.04Å; D3-K6 PolarHBondContact O-N 2.78Å; D3-K6 IonicContact OD1-NZ 2.72Å; D3-K6 PolarHBondContact OD1-NZ 3.27Å; D3-Y7 HydrophobicContact CB-CE2 4.44Å; D3-Y7 WeakPolarHBondContact O-CD2 3.07Å; D3-Y7 PolarHBondContact O-N 3.31Å
4L80.5Confident82.1Confident141 Ų141120.1 Ų120.174%0.73859%0.59SS**Hα-helixtrans-60.6-39.2172.9-109.1161000112.1M1 Q2 Y7 F8M1-L4 PolarHBondContact O-N 3.25Å; Q2-L4 PolarHBondContact O-N 2.93Å; L4-Y7 PolarHBondContact O-N 2.03Å; L4-F8 PolarHBondContact O-N 2.83Å
5L82.2Confident81.9Confident117 Ų117118.4 Ų118.461%0.61358%0.584SS**Hα-helixtrans-66.9-39.1176.2-157.685.5000111.5Q2 D3 F8 V9Q2-L5 PolarHBondContact O-N 3.37Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 3.49Å; L5-F8 PolarHBondContact O-N 3.48Å; L5-V9 WeakPolarHBondContact O-CG2 3.2Å; L5-V9 PolarHBondContact O-N 2.89Å
6K84.1Confident81.5Confident116 Ų116118.3 Ų118.350%0.50458%0.581SS.*Hα-helixtrans-61.5-44.4175.4-64.7171.5-167158.70111.3Q2 D3 F8 V9 L10Q2-K6 WeakPolarHBondContact O-CG 3.3Å; Q2-K6 PolarHBondContact O-N 2.8Å; Q2-K6 VanDerWaalsContact O-N 3.15Å; D3-K6 WeakPolarHBondContact O-CB 3.04Å; D3-K6 PolarHBondContact O-N 2.78Å; D3-K6 IonicContact OD1-NZ 2.72Å; D3-K6 PolarHBondContact OD1-NZ 3.27Å; K6-F8 VanDerWaalsContact C-N 3.33Å; K6-F8 PolarHBondContact O-N 3.27Å; K6-V9 PolarHBondContact O-N 2.87Å; K6-L10 WeakPolarHBondContact O-CB 3.03Å; K6-L10 VanDerWaalsContact O-CG 3.28Å; K6-L10 WeakPolarHBondContact O-CG 3.08Å; K6-L10 PolarHBondContact O-N 2.92Å
7Y86.3Confident80.7Confident166 Ų166117.7 Ų117.765%0.65158%0.575SS**Hα-helixtrans-63.5-38.6176-71.3-66.7000112.1D3 L4 L10 L11D3-Y7 HydrophobicContact CB-CE2 4.44Å; D3-Y7 WeakPolarHBondContact O-CD2 3.07Å; D3-Y7 PolarHBondContact O-N 3.31Å; L4-Y7 PolarHBondContact O-N 2.03Å; Y7-L10 PolarHBondContact O-N 3.15Å; Y7-L11 VanDerWaalsContact O-CB 3.27Å; Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.14Å
8F88.4Confident79.9Confident128 Ų128117.8 Ų117.856%0.56158%0.578SS**Hα-helixtrans-66-42.3176.9-168.3-105.6000112.4L4 L5 K6 L11 I12L4-F8 PolarHBondContact O-N 2.83Å; L5-F8 PolarHBondContact O-N 3.48Å; K6-F8 VanDerWaalsContact C-N 3.33Å; K6-F8 PolarHBondContact O-N 3.27Å; F8-L11 PolarHBondContact O-N 3.48Å; F8-I12 HydrophobicContact CD1-CD1 3.64Å; F8-I12 HydrophobicContact CD1-CG1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 3.32Å; F8-I12 HydrophobicContact CE1-CG1 4.25Å; F8-I12 HydrophobicContact CZ-CD1 3.94Å; F8-I12 WeakPolarHBondContact O-CG1 3.3Å; F8-I12 PolarHBondContact O-N 2.92Å
9V86.4Confident79Confident87 Ų87118.7 Ų118.753%0.52759%0.585SS.*Hα-helixtrans-64.7-42.2174.5173.40000111.2L5 K6 L11 I12 F13L5-V9 WeakPolarHBondContact O-CG2 3.2Å; L5-V9 PolarHBondContact O-N 2.89Å; K6-V9 PolarHBondContact O-N 2.87Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.99Å; V9-I12 PolarHBondContact O-N 2.64Å; V9-F13 WeakPolarHBondContact O-CB 3.3Å; V9-F13 PolarHBondContact O-N 2.97Å
10L83.2Confident78.1Confident110 Ų110117.9 Ų117.958%0.57659%0.591SS**Hα-helixtrans-64.8-36.5174.6-72.5175000112.1K6 Y7 S14K6-L10 WeakPolarHBondContact O-CB 3.03Å; K6-L10 VanDerWaalsContact O-CG 3.28Å; K6-L10 WeakPolarHBondContact O-CG 3.08Å; K6-L10 PolarHBondContact O-N 2.92Å; Y7-L10 PolarHBondContact O-N 3.15Å; L10-S14 WeakPolarHBondContact O-CB 3.32Å; L10-S14 PolarHBondContact O-N 3.17Å; L10-S14 PolarHBondContact O-OG 2.98Å; L10-S14 VanDerWaalsContact O-OG 3.12Å
11L84.2Confident77Confident96 Ų96117.1 Ų117.150%0.50358%0.584SS.*Hα-helixtrans-65.2-49.1175.6-159.6172.3000109.6Y7 F8 V9 F13 S14 L15Y7-L11 VanDerWaalsContact O-CB 3.27Å; Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.14Å; F8-L11 PolarHBondContact O-N 3.48Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.99Å; L11-F13 PolarHBondContact O-N 3.44Å; L11-S14 WeakPolarHBondContact CA-OG 3.12Å; L11-S14 CarbonylContact O-C 3.48Å; L11-S14 PolarHBondContact O-N 3.45Å; L11-S14 PolarHBondContact O-OG 2.75Å; L11-L15 HydrophobicContact CD2-CB 4.43Å; L11-L15 HydrophobicContact CD2-CD1 4.33Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 PolarHBondContact O-N 3.21Å
12I84.2Confident75.9Confident66 Ų66112 Ų11234%0.33857%0.569SS.*Hα-helixtrans-58.5-48.8175.8-68.8168.6000111F8 V9 S14 L15 E16F8-I12 HydrophobicContact CD1-CD1 3.64Å; F8-I12 HydrophobicContact CD1-CG1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 3.32Å; F8-I12 HydrophobicContact CE1-CG1 4.25Å; F8-I12 HydrophobicContact CZ-CD1 3.94Å; F8-I12 WeakPolarHBondContact O-CG1 3.3Å; F8-I12 PolarHBondContact O-N 2.92Å; V9-I12 PolarHBondContact O-N 2.64Å; I12-S14 VanDerWaalsContact C-N 3.29Å; I12-S14 PolarHBondContact O-N 3.16Å; I12-L15 CarbonylContact O-C 3.55Å; I12-L15 WeakPolarHBondContact O-CB 3.41Å; I12-L15 PolarHBondContact O-N 3.19Å; I12-E16 HydrophobicContact CG2-CG 4.35Å; I12-E16 WeakPolarHBondContact O-CG 3.16Å; I12-E16 PolarHBondContact O-N 2.91Å
13F78.3Confident74.6Confident143 Ų143111.6 Ų111.663%0.62757%0.572SS**Hα-helixtrans-62.6-38.3179.3-164.5-99.7000111.8V9 L11 F17V9-F13 WeakPolarHBondContact O-CB 3.3Å; V9-F13 PolarHBondContact O-N 2.97Å; L11-F13 PolarHBondContact O-N 3.44Å; F13-F17 WeakPolarHBondContact O-CB 3.49Å; F13-F17 PolarHBondContact O-N 3.32Å
14S79.7Confident72.9Confident50 Ų50111.8 Ų111.835%0.3559%0.586SS.*Hα-helixtrans-69.3-33.9173.873.70000112.5L10 L11 I12 F17 L18L10-S14 WeakPolarHBondContact O-CB 3.32Å; L10-S14 PolarHBondContact O-N 3.17Å; L10-S14 PolarHBondContact O-OG 2.98Å; L10-S14 VanDerWaalsContact O-OG 3.12Å; L11-S14 WeakPolarHBondContact CA-OG 3.12Å; L11-S14 CarbonylContact O-C 3.48Å; L11-S14 PolarHBondContact O-N 3.45Å; L11-S14 PolarHBondContact O-OG 2.75Å; I12-S14 VanDerWaalsContact C-N 3.29Å; I12-S14 PolarHBondContact O-N 3.16Å; S14-F17 PolarHBondContact O-N 2.79Å; S14-L18 VanDerWaalsContact O-CB 3.29Å; S14-L18 WeakPolarHBondContact O-CB 3.36Å; S14-L18 WeakPolarHBondContact O-CG 3.49Å; S14-L18 PolarHBondContact O-N 2.87Å
15L79.6Confident71.6Confident94 Ų94110 Ų11049%0.49257%0.574SS.*Hα-helixtrans-70.8-43.9177.9-160.889.2000110.2L11 I12 F17 L18 L19L11-L15 HydrophobicContact CD2-CB 4.43Å; L11-L15 HydrophobicContact CD2-CD1 4.33Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 PolarHBondContact O-N 3.21Å; I12-L15 CarbonylContact O-C 3.55Å; I12-L15 WeakPolarHBondContact O-CB 3.41Å; I12-L15 PolarHBondContact O-N 3.19Å; L15-F17 VanDerWaalsContact C-N 3.32Å; L15-L18 PolarHBondContact O-N 3.5Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.42Å
16E75.1Confident70.5Confident116 Ų116109.5 Ų109.554%0.54257%0.569SS.*Hα-helixtrans-61.6-42172.3-72.3178.9175.900111.2I12 L18 L19 S20I12-E16 HydrophobicContact CG2-CG 4.35Å; I12-E16 WeakPolarHBondContact O-CG 3.16Å; I12-E16 PolarHBondContact O-N 2.91Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-L18 PolarHBondContact O-N 2.77Å; E16-L19 PolarHBondContact O-N 2.71Å; E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 3.43Å
17F68.3Low70.3Confident109 Ų109105.7 Ų105.748%0.47855%0.554SS.*Hα-helixtrans-67.5-33.4176.5-171.1-116.7000112.8F13 S14 L15 K21F13-F17 WeakPolarHBondContact O-CB 3.49Å; F13-F17 PolarHBondContact O-N 3.32Å; S14-F17 PolarHBondContact O-N 2.79Å; L15-F17 VanDerWaalsContact C-N 3.32Å; F17-K21 HydrophobicContact CD1-CD 3.96Å; F17-K21 HydrophobicContact CE1-CD 3.71Å; F17-K21 HydrophobicContact CE2-CD 4.44Å; F17-K21 HydrophobicContact CG-CD 4.5Å; F17-K21 HydrophobicContact CZ-CD 3.97Å; F17-K21 VanDerWaalsContact O-CB 3.22Å; F17-K21 WeakPolarHBondContact O-CB 3.16Å; F17-K21 VanDerWaalsContact O-CG 3.29Å; F17-K21 WeakPolarHBondContact O-CG 3.35Å; F17-K21 PolarHBondContact O-N 2.84Å
18L64.9Low70.3Confident119 Ų11998 Ų9862%0.62352%0.524SS*.Hα-helixtrans-75.7-36.9174.1-74.4170.1000112.1S14 L15 E16 S20 K21S14-L18 VanDerWaalsContact O-CB 3.29Å; S14-L18 WeakPolarHBondContact O-CB 3.36Å; S14-L18 WeakPolarHBondContact O-CG 3.49Å; S14-L18 PolarHBondContact O-N 2.87Å; L15-L18 PolarHBondContact O-N 3.5Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-L18 PolarHBondContact O-N 2.77Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 2.86Å; L18-K21 PolarHBondContact O-N 3.18Å
19L63Low70.3Confident136 Ų13692 Ų9271%0.71250%0.498SS*.Hα-helixtrans-65.9-30.5173.5-73.5172.5000112L15 E16 K21L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.42Å; E16-L19 PolarHBondContact O-N 2.71Å; L19-K21 VanDerWaalsContact C-N 3.32Å
20S61.9Low70.2Confident102 Ų10293.4 Ų93.471%0.71350%0.502SS*.THydrogen-bonded Turntrans-80.4-8.9171.9-174.20000113.8E16 L18E16-S20 WeakPolarHBondContact O-CB 3.32Å; E16-S20 PolarHBondContact O-N 3.43Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 2.86Å
21K53.8Low70.4Confident102 Ų10289.7 Ų89.744%0.44348%0.483SS..  trans-110.941.4-171-90.8-171.8166.2-176.10114.2F17 L18 L19 N23F17-K21 HydrophobicContact CD1-CD 3.96Å; F17-K21 HydrophobicContact CE1-CD 3.71Å; F17-K21 HydrophobicContact CE2-CD 4.44Å; F17-K21 HydrophobicContact CG-CD 4.5Å; F17-K21 HydrophobicContact CZ-CD 3.97Å; F17-K21 VanDerWaalsContact O-CB 3.22Å; F17-K21 WeakPolarHBondContact O-CB 3.16Å; F17-K21 VanDerWaalsContact O-CG 3.29Å; F17-K21 WeakPolarHBondContact O-CG 3.35Å; F17-K21 PolarHBondContact O-N 2.84Å; L18-K21 PolarHBondContact O-N 3.18Å; L19-K21 VanDerWaalsContact C-N 3.32Å; K21-N23 VanDerWaalsContact C-N 3.33Å; K21-N23 VanDerWaalsContact O-CG 3.24Å; K21-N23 PolarHBondContact O-N 3.38Å; K21-N23 PolarHBondContact O-ND2 3.5Å
22S50.5Low70.5Confident107 Ų10785.5 Ų85.575%0.74846%0.461SS*.  trans-83.379.415354.60000107.9
23N49.9Very low70.6Confident146 Ų14685.6 Ų85.678%0.78148%0.478SS*.  57.4113.687.3-80.8-48.6000114.7K21K21-N23 VanDerWaalsContact C-N 3.33Å; K21-N23 VanDerWaalsContact O-CG 3.24Å; K21-N23 PolarHBondContact O-N 3.38Å; K21-N23 PolarHBondContact O-ND2 3.5Å
24A47Very low71Confident96 Ų9680 Ų8079%0.79345%0.454SS*.SBendtrans78.199156.900000117.4
25E52.6Low71.3Confident104 Ų10481 Ų8149%0.48646%0.461SS..SBendtrans69.4106.6176.1-91.8170.4136.900115.1D27 H92 S93E25-D27 PolarHBondContact O-N 3.5Å; E25-H92 VanDerWaalsContact CB-CD2 3.41Å; E25-H92 WeakPolarHBondContact CB-CD2 3.39Å; E25-H92 VanDerWaalsContact CG-CD2 3.44Å; E25-H92 WeakPolarHBondContact CG-CD2 3.16Å; E25-H92 IonicContact OE1-CD2 2.77Å; E25-S93 WeakPolarHBondContact OE1-CA 3.29Å; E25-S93 VanDerWaalsContact OE2-CB 3.25Å; E25-S93 WeakPolarHBondContact OE2-CB 3.27Å
26Q59.1Low71.5Confident107 Ų10782.2 Ų82.250%0.546%0.462SS..  trans-68.7102.2-176.2-70.2-178.3-32.800109.5Y28 I31 H92Q26-Y28 PolarHBondContact O-N 3.06Å; Q26-I31 HydrophobicContact CB-CD1 3.89Å; Q26-I31 HydrophobicContact CB-CG1 3.89Å; Q26-H92 PolarHBondContact O-CE1 2.85Å; Q26-H92 PolarHBondContact O-ND1 2.81Å
27D79.2Confident71.9Confident36 Ų3681.6 Ų81.619%0.19347%0.47CS..  trans-51.1136.1171.6-95.6-26000109.7E25 Y29 D30 I31 K36 Y87E25-D27 PolarHBondContact O-N 3.5Å; D27-Y29 PolarHBondContact O-N 3.05Å; D27-Y29 VanDerWaalsContact O-N 3.08Å; D27-D30 HydrophobicContact CB-CB 4.47Å; D27-D30 WeakPolarHBondContact O-CB 3.42Å; D27-D30 PolarHBondContact O-N 3.24Å; D27-I31 PolarHBondContact O-N 3.03Å; D27-I31 VanDerWaalsContact O-N 3.13Å; D27-K36 WeakPolarHBondContact OD2-CE 2.99Å; D27-K36 IonicContact OD2-NZ 3.64Å; D27-K36 PolarHBondContact OD2-NZ 3.39Å; D27-Y87 WeakPolarHBondContact CA-OH 3.4Å; D27-Y87 PolarHBondContact OD1-OH 2.83Å
28Y87Confident72.6Confident4 Ų477 Ų772%0.01645%0.453CS..Hα-helixtrans-56.5-29.8179-70.5-42.2000112.5Q26 I31 L32 E73 A74 V77 Y87 Y95Q26-Y28 PolarHBondContact O-N 3.06Å; Y28-I31 HydrophobicContact CD1-CD1 4.1Å; Y28-I31 PolarHBondContact O-N 3.44Å; Y28-L32 PolarHBondContact O-N 3.21Å; Y28-E73 HydrophobicContact CE1-CG 3.91Å; Y28-E73 PolarHBondContact OH-OE1 3.42Å; Y28-A74 VanDerWaalsContact CD1-CA 3.4Å; Y28-A74 HydrophobicContact CD1-CB 3.52Å; Y28-A74 HydrophobicContact CE1-CB 4.41Å; Y28-A74 HydrophobicContact CG-CB 3.9Å; Y28-V77 HydrophobicContact CD2-CB 3.89Å; Y28-V77 HydrophobicContact CD2-CG1 3.84Å; Y28-V77 HydrophobicContact CD2-CG2 4.27Å; Y28-V77 HydrophobicContact CE2-CB 3.75Å; Y28-V77 HydrophobicContact CE2-CG1 3.75Å; Y28-V77 HydrophobicContact CE2-CG2 3.63Å; Y28-Y87 HydrophobicContact CD2-CD1 4.31Å; Y28-Y87 AromaticContact CD2-CD2 3.43Å; Y28-Y87 HydrophobicContact CD2-CD2 3.43Å; Y28-Y87 VanDerWaalsContact CD2-CD2 3.43Å; Y28-Y87 HydrophobicContact CD2-CE1 4.07Å; Y28-Y87 AromaticContact CD2-CE2 3.11Å; Y28-Y87 HydrophobicContact CD2-CE2 3.11Å; Y28-Y87 HydrophobicContact CD2-CG 4.02Å; Y28-Y87 AromaticContact CD2-CZ 3.48Å; Y28-Y87 VanDerWaalsContact CD2-CZ 3.48Å; Y28-Y87 AromaticContact CE2-CD2 3.43Å; Y28-Y87 HydrophobicContact CE2-CD2 3.43Å; Y28-Y87 VanDerWaalsContact CE2-CD2 3.43Å; Y28-Y87 AromaticContact CE2-CE2 3.27Å; Y28-Y87 HydrophobicContact CE2-CE2 3.27Å; Y28-Y87 HydrophobicContact CE2-CG 4.35Å; Y28-Y87 HydrophobicContact CG-CE2 4.03Å; Y28-Y87 PolarHBondContact N-OH 3.49Å; Y28-Y87 VanDerWaalsContact N-OH 3.11Å; Y28-Y95 HydrophobicContact CE2-CD1 4.12Å; Y28-Y95 HydrophobicContact CE2-CE1 4.22Å
29Y87.8Confident73.7Confident2 Ų273.8 Ų73.81%0.00844%0.44CS..Hα-helixtrans-63-41.4173.6-61.9-76.5000112.6D27 L32 G33 I34 K36 L78 R84 Y87 D88D27-Y29 PolarHBondContact O-N 3.05Å; D27-Y29 VanDerWaalsContact O-N 3.08Å; Y29-L32 PolarHBondContact O-N 2.9Å; Y29-G33 PolarHBondContact O-N 3.02Å; Y29-I34 HydrophobicContact CD1-CD1 4.15Å; Y29-I34 HydrophobicContact CD1-CG1 4.12Å; Y29-I34 PolarHBondContact O-N 2.84Å; Y29-K36 HydrophobicContact CD1-CB 4.49Å; Y29-K36 HydrophobicContact CD1-CG 4.24Å; Y29-K36 HydrophobicContact CD2-CD 4.3Å; Y29-K36 HydrophobicContact CD2-CG 3.72Å; Y29-K36 HydrophobicContact CE1-CB 4.43Å; Y29-K36 HydrophobicContact CE1-CG 4.49Å; Y29-K36 HydrophobicContact CE2-CB 4.49Å; Y29-K36 HydrophobicContact CE2-CD 4.45Å; Y29-K36 HydrophobicContact CE2-CG 3.97Å; Y29-K36 HydrophobicContact CG-CG 3.84Å; Y29-L78 HydrophobicContact CD1-CD1 3.95Å; Y29-L78 HydrophobicContact CD1-CD2 4.31Å; Y29-L78 HydrophobicContact CD2-CD2 4.49Å; Y29-L78 HydrophobicContact CE1-CD1 4.08Å; Y29-L78 HydrophobicContact CE1-CD2 3.68Å; Y29-L78 HydrophobicContact CE2-CD2 3.92Å; Y29-L78 HydrophobicContact CG-CD1 4.32Å; Y29-L78 VanDerWaalsContact CZ-CD2 3.47Å; Y29-R84 PolarHBondContact OH-NE 2.8Å; Y29-R84 VanDerWaalsContact OH-NE 3.07Å; Y29-Y87 HydrophobicContact CD2-CE1 4.06Å; Y29-Y87 HydrophobicContact CE2-CD1 4.05Å; Y29-Y87 AromaticContact CE2-CE1 3.72Å; Y29-Y87 HydrophobicContact CE2-CE1 3.72Å; Y29-D88 WeakPolarHBondContact CE2-OD1 3.13Å; Y29-D88 VanDerWaalsContact OH-CG 3.31Å; Y29-D88 PolarHBondContact OH-OD1 3.24Å; Y29-D88 PolarHBondContact OH-OD2 3.37Å
30D85.7Confident74.8Confident116 Ų11669.4 Ų69.462%0.6242%0.417SS*.Hα-helixtrans-71.9-35.3178.4-67.5-20.9000111.7D27 L32 G33D27-D30 HydrophobicContact CB-CB 4.47Å; D27-D30 WeakPolarHBondContact O-CB 3.42Å; D27-D30 PolarHBondContact O-N 3.24Å; D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 3.46Å; D30-G33 PolarHBondContact O-N 3.5Å; D30-G33 VanDerWaalsContact O-N 3.16Å
31I86Confident75.9Confident33 Ų3367.1 Ų67.117%0.16940%0.402CS..Hα-helixtrans-62-40.5175.8-64.3172.8000110.7Q26 D27 Y28 L50 K70 I71 A74Q26-I31 HydrophobicContact CB-CD1 3.89Å; Q26-I31 HydrophobicContact CB-CG1 3.89Å; D27-I31 PolarHBondContact O-N 3.03Å; D27-I31 VanDerWaalsContact O-N 3.13Å; Y28-I31 HydrophobicContact CD1-CD1 4.1Å; Y28-I31 PolarHBondContact O-N 3.44Å; I31-L50 WeakPolarHBondContact O-CD1 3.45Å; I31-K70 HydrophobicContact CD1-CB 4.32Å; I31-K70 HydrophobicContact CG2-CB 4.31Å; I31-I71 HydrophobicContact CG2-CB 4.4Å; I31-I71 HydrophobicContact CG2-CG1 3.76Å; I31-A74 HydrophobicContact CB-CB 4.31Å; I31-A74 HydrophobicContact CG2-CB 4.19Å
32L86.9Confident77.5Confident8 Ų865.2 Ų65.24%0.04240%0.396CS..Hα-helixtrans-81.8-17.5175.8-69-177.6000113.3Y28 Y29 D30 I34 V43 A46 F47 L50 I71 A74 L78Y28-L32 PolarHBondContact O-N 3.21Å; Y29-L32 PolarHBondContact O-N 2.9Å; D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 3.46Å; L32-I34 HydrophobicContact CB-CD1 4.07Å; L32-I34 HydrophobicContact CB-CG1 3.88Å; L32-I34 HydrophobicContact CB-CG2 4.43Å; L32-I34 HydrophobicContact CD1-CD1 3.96Å; L32-V43 HydrophobicContact CD1-CG1 3.86Å; L32-A46 HydrophobicContact CB-CB 4.38Å; L32-F47 HydrophobicContact CD2-CB 4.2Å; L32-L50 HydrophobicContact CD2-CD1 4.05Å; L32-I71 HydrophobicContact CD2-CG2 3.98Å; L32-A74 HydrophobicContact CD1-CB 4.39Å; L32-A74 HydrophobicContact CD2-CB 4.48Å; L32-A74 HydrophobicContact CG-CB 4.06Å; L32-L78 HydrophobicContact CD1-CD1 3.82Å
33G86.3Confident79.3Confident67 Ų6760.1 Ų60.169%0.69136%0.361SS*.THydrogen-bonded Turntrans70.737.1-176.200000112.8Y29 D30Y29-G33 PolarHBondContact O-N 3.02Å; D30-G33 PolarHBondContact O-N 3.5Å; D30-G33 VanDerWaalsContact O-N 3.16Å
34I87.3Confident81.1Confident27 Ų2757.5 Ų57.514%0.13834%0.342CS..  trans-120.6157.8-178.859.1173.4000111.1Y29 L32 A38 V43 A46 L78Y29-I34 HydrophobicContact CD1-CD1 4.15Å; Y29-I34 HydrophobicContact CD1-CG1 4.12Å; Y29-I34 PolarHBondContact O-N 2.84Å; L32-I34 HydrophobicContact CB-CD1 4.07Å; L32-I34 HydrophobicContact CB-CG1 3.88Å; L32-I34 HydrophobicContact CB-CG2 4.43Å; L32-I34 HydrophobicContact CD1-CD1 3.96Å; I34-A38 HydrophobicContact CB-CB 4.03Å; I34-A38 HydrophobicContact CD1-CB 4.22Å; I34-A38 HydrophobicContact CG1-CB 4.5Å; I34-V43 HydrophobicContact CD1-CB 4.27Å; I34-V43 HydrophobicContact CD1-CG2 3.51Å; I34-A46 HydrophobicContact CG2-CB 3.5Å; I34-L78 HydrophobicContact CD1-CD1 4.31Å
35S85.5Confident82.9Confident69 Ų6956.6 Ų56.648%0.48332%0.32SS..  trans-72.7152.9171.5178.10000111.4S37 A38S35-S37 PolarHBondContact O-N 3.4Å; S35-S37 VanDerWaalsContact O-N 3.16Å; S35-S37 PolarHBondContact OG-N 3.38Å; S35-S37 PolarHBondContact OG-OG 2.85Å; S35-A38 WeakPolarHBondContact O-CB 3.47Å; S35-A38 PolarHBondContact O-N 3.48Å
36K83.2Confident84.7Confident120 Ų12052.2 Ų52.252%0.52230%0.302SS..THydrogen-bonded Turntrans-59.4-22169.7-61.5-172.5177.5-1730112.8D27 Y29 A38 R84D27-K36 WeakPolarHBondContact OD2-CE 2.99Å; D27-K36 IonicContact OD2-NZ 3.64Å; D27-K36 PolarHBondContact OD2-NZ 3.39Å; Y29-K36 HydrophobicContact CD1-CB 4.49Å; Y29-K36 HydrophobicContact CD1-CG 4.24Å; Y29-K36 HydrophobicContact CD2-CD 4.3Å; Y29-K36 HydrophobicContact CD2-CG 3.72Å; Y29-K36 HydrophobicContact CE1-CB 4.43Å; Y29-K36 HydrophobicContact CE1-CG 4.49Å; Y29-K36 HydrophobicContact CE2-CB 4.49Å; Y29-K36 HydrophobicContact CE2-CD 4.45Å; Y29-K36 HydrophobicContact CE2-CG 3.97Å; Y29-K36 HydrophobicContact CG-CG 3.84Å; K36-A38 VanDerWaalsContact C-N 3.35Å; K36-R84 PolarHBondContact O-NH2 2.82Å
37S83.3Confident86.1Confident103 Ų10347.7 Ų47.772%0.7228%0.281SS*.THydrogen-bonded Turntrans-84.2-2.6175.1650000114.5S35S35-S37 PolarHBondContact O-N 3.4Å; S35-S37 VanDerWaalsContact O-N 3.16Å; S35-S37 PolarHBondContact OG-N 3.38Å; S35-S37 PolarHBondContact OG-OG 2.85Å
38A83.9Confident86.3Confident13 Ų1348.2 Ų48.211%0.10728%0.28CS..  trans-66144.2-173.900000112I34 S35 K36 D42 R84I34-A38 HydrophobicContact CB-CB 4.03Å; I34-A38 HydrophobicContact CD1-CB 4.22Å; I34-A38 HydrophobicContact CG1-CB 4.5Å; S35-A38 WeakPolarHBondContact O-CB 3.47Å; S35-A38 PolarHBondContact O-N 3.48Å; K36-A38 VanDerWaalsContact C-N 3.35Å; A38-D42 HydrophobicContact CB-CB 3.95Å; A38-R84 PolarHBondContact O-NH1 3Å; A38-R84 PolarHBondContact O-NH2 3.06Å
39S87.2Confident86.3Confident51 Ų5153 Ų5336%0.35730%0.301SS..  trans-72.4162.4176.7720000111S41 D42 V43S39-S41 PolarHBondContact O-N 2.95Å; S39-S41 VanDerWaalsContact O-N 3.15Å; S39-S41 PolarHBondContact OG-N 2.93Å; S39-S41 PolarHBondContact OG-OG 2.92Å; S39-D42 WeakPolarHBondContact CB-OD2 3.25Å; S39-D42 PolarHBondContact N-OD2 2.9Å; S39-D42 WeakPolarHBondContact O-CB 3.35Å; S39-D42 PolarHBondContact O-N 2.81Å; S39-D42 VanDerWaalsContact OG-CG 3.26Å; S39-D42 PolarHBondContact OG-N 3.21Å; S39-D42 PolarHBondContact OG-OD2 3.45Å; S39-V43 PolarHBondContact O-N 3.5Å; S39-V43 VanDerWaalsContact O-N 3.11Å
40N87Confident86.3Confident44 Ų4454.5 Ų54.524%0.23531%0.309CS..Hα-helixtrans-60.7-25173.6-65.7-18.2000112.2K44 D81 R84N40-K44 WeakPolarHBondContact O-CG 3.36Å; N40-K44 PolarHBondContact O-N 3Å; N40-K44 VanDerWaalsContact O-N 3.15Å; N40-D81 PolarHBondContact ND2-OD1 3.17Å; N40-R84 PolarHBondContact OD1-NH1 3.32Å
41S85.2Confident86.2Confident55 Ų5549 Ų4939%0.38528%0.28SS..Hα-helixtrans-66.9-39.5173.887.80000111.4S39 K44 K45S39-S41 PolarHBondContact O-N 2.95Å; S39-S41 VanDerWaalsContact O-N 3.15Å; S39-S41 PolarHBondContact OG-N 2.93Å; S39-S41 PolarHBondContact OG-OG 2.92Å; S41-K44 PolarHBondContact O-N 2.9Å; S41-K45 VanDerWaalsContact O-CG 3.29Å; S41-K45 WeakPolarHBondContact O-CG 3.36Å; S41-K45 PolarHBondContact O-N 3.32Å
42D87.8Confident86.1Confident62 Ų6249.7 Ų49.733%0.33228%0.283SS..Hα-helixtrans-71.2-40.4179.2-61-46.1000111.6A38 S39 K44 K45 A46A38-D42 HydrophobicContact CB-CB 3.95Å; S39-D42 WeakPolarHBondContact CB-OD2 3.25Å; S39-D42 PolarHBondContact N-OD2 2.9Å; S39-D42 WeakPolarHBondContact O-CB 3.35Å; S39-D42 PolarHBondContact O-N 2.81Å; S39-D42 VanDerWaalsContact OG-CG 3.26Å; S39-D42 PolarHBondContact OG-N 3.21Å; S39-D42 PolarHBondContact OG-OD2 3.45Å; D42-K44 VanDerWaalsContact C-N 3.31Å; D42-K44 PolarHBondContact O-N 3.06Å; D42-K45 PolarHBondContact O-N 2.59Å; D42-A46 WeakPolarHBondContact O-CB 3.26Å; D42-A46 PolarHBondContact O-N 3.28Å
43V88.6Confident85.9Confident0 Ų055.4 Ų55.40%031%0.308CS..Hα-helixtrans-54.1-49.6171.3174.70000110L32 I34 S39 A46 F47 Y75 L78L32-V43 HydrophobicContact CD1-CG1 3.86Å; I34-V43 HydrophobicContact CD1-CB 4.27Å; I34-V43 HydrophobicContact CD1-CG2 3.51Å; S39-V43 PolarHBondContact O-N 3.5Å; S39-V43 VanDerWaalsContact O-N 3.11Å; V43-A46 PolarHBondContact O-N 2.87Å; V43-F47 VanDerWaalsContact O-CB 3.27Å; V43-F47 WeakPolarHBondContact O-CB 3.43Å; V43-F47 PolarHBondContact O-N 2.87Å; V43-Y75 HydrophobicContact CG1-CD2 4.01Å; V43-Y75 HydrophobicContact CG1-CE2 4.44Å; V43-L78 HydrophobicContact CG1-CB 3.89Å; V43-L78 HydrophobicContact CG2-CB 4.32Å
44K87.3Confident85.8Confident90 Ų9054.3 Ų54.339%0.39128%0.283SS..Hα-helixtrans-62.1-45.1176.4-73.6171.7-177.41800112N40 S41 D42 R48 Y75N40-K44 WeakPolarHBondContact O-CG 3.36Å; N40-K44 PolarHBondContact O-N 3Å; N40-K44 VanDerWaalsContact O-N 3.15Å; S41-K44 PolarHBondContact O-N 2.9Å; D42-K44 VanDerWaalsContact C-N 3.31Å; D42-K44 PolarHBondContact O-N 3.06Å; K44-R48 WeakPolarHBondContact O-CB 3.38Å; K44-R48 VanDerWaalsContact O-CG 3.26Å; K44-R48 WeakPolarHBondContact O-CG 3.41Å; K44-R48 PolarHBondContact O-N 3.39Å; K44-Y75 HydrophobicContact CB-CE2 4.44Å; K44-Y75 HydrophobicContact CG-CE2 3.73Å
45K85.2Confident85.4Confident77 Ų7753.9 Ų53.934%0.33528%0.281SS..Hα-helixtrans-61.3-46.1178.6-75.3169.1-176.2172.60111.4S41 D42 R48 K49S41-K45 VanDerWaalsContact O-CG 3.29Å; S41-K45 WeakPolarHBondContact O-CG 3.36Å; S41-K45 PolarHBondContact O-N 3.32Å; D42-K45 PolarHBondContact O-N 2.59Å; K45-R48 VanDerWaalsContact CG-NH2 3.28Å; K45-R48 PolarHBondContact O-N 2.77Å; K45-K49 WeakPolarHBondContact O-CG 3.35Å; K45-K49 PolarHBondContact O-N 3.2Å; K45-K49 VanDerWaalsContact O-N 3.15Å
46A88.6Confident84.9Confident13 Ų1353.4 Ų53.411%0.10728%0.276CS..Hα-helixtrans-65-47.7179.300000111.7L32 I34 D42 V43 R48 K49 L50L32-A46 HydrophobicContact CB-CB 4.38Å; I34-A46 HydrophobicContact CG2-CB 3.5Å; D42-A46 WeakPolarHBondContact O-CB 3.26Å; D42-A46 PolarHBondContact O-N 3.28Å; V43-A46 PolarHBondContact O-N 2.87Å; A46-R48 VanDerWaalsContact C-N 3.34Å; A46-R48 PolarHBondContact O-N 2.79Å; A46-K49 PolarHBondContact O-N 3.02Å; A46-L50 WeakPolarHBondContact O-CG 3.35Å; A46-L50 PolarHBondContact O-N 3.36Å
47F88.8Confident84.6Confident11 Ų1153.6 Ų53.65%0.04828%0.283CS..Hα-helixtrans-55.2-47.7174.4169.2-99.9000111.5L32 V43 K49 L50 A51 I71 Y75 F112 F116L32-F47 HydrophobicContact CD2-CB 4.2Å; V43-F47 VanDerWaalsContact O-CB 3.27Å; V43-F47 WeakPolarHBondContact O-CB 3.43Å; V43-F47 PolarHBondContact O-N 2.87Å; F47-K49 VanDerWaalsContact C-N 3.35Å; F47-K49 PolarHBondContact O-N 3.15Å; F47-L50 PolarHBondContact O-N 3.18Å; F47-A51 HydrophobicContact CE1-CB 4.13Å; F47-A51 HydrophobicContact CE2-CB 3.97Å; F47-A51 HydrophobicContact CZ-CB 3.6Å; F47-A51 VanDerWaalsContact O-CB 3.25Å; F47-A51 WeakPolarHBondContact O-CB 3.06Å; F47-A51 PolarHBondContact O-N 2.97Å; F47-I71 HydrophobicContact CD2-CG2 3.61Å; F47-I71 HydrophobicContact CE2-CG2 3.89Å; F47-Y75 HydrophobicContact CB-CD2 3.52Å; F47-Y75 HydrophobicContact CB-CE2 4.22Å; F47-Y75 HydrophobicContact CB-CG 4.07Å; F47-Y75 HydrophobicContact CD1-CD1 4.41Å; F47-Y75 AromaticContact CD1-CD2 3.9Å; F47-Y75 HydrophobicContact CD1-CD2 3.9Å; F47-Y75 HydrophobicContact CD1-CE2 4.12Å; F47-Y75 HydrophobicContact CD1-CG 4.05Å; F47-Y75 HydrophobicContact CD2-CD2 4.19Å; F47-Y75 AromaticContact CD2-CG 3.85Å; F47-Y75 HydrophobicContact CD2-CG 3.85Å; F47-Y75 HydrophobicContact CG-CD1 4.39Å; F47-Y75 AromaticContact CG-CD2 3.55Å; F47-Y75 HydrophobicContact CG-CD2 3.55Å; F47-Y75 HydrophobicContact CG-CE2 4.21Å; F47-Y75 AromaticContact CG-CG 3.65Å; F47-Y75 HydrophobicContact CG-CG 3.65Å; F47-F112 HydrophobicContact CD2-CZ 4.28Å; F47-F112 HydrophobicContact CE1-CE1 4.07Å; F47-F112 AromaticContact CE1-CZ 3.66Å; F47-F112 HydrophobicContact CE1-CZ 3.66Å; F47-F112 AromaticContact CE2-CE1 3.42Å; F47-F112 HydrophobicContact CE2-CE1 3.42Å; F47-F112 VanDerWaalsContact CE2-CE1 3.42Å; F47-F112 AromaticContact CE2-CZ 3.33Å; F47-F112 HydrophobicContact CE2-CZ 3.33Å; F47-F112 HydrophobicContact CZ-CD1 4.31Å; F47-F112 AromaticContact CZ-CE1 3.07Å; F47-F112 HydrophobicContact CZ-CE1 3.07Å; F47-F112 HydrophobicContact CZ-CE2 4.22Å; F47-F112 AromaticContact CZ-CZ 3.01Å; F47-F112 HydrophobicContact CZ-CZ 3.01Å; F47-F116 HydrophobicContact CE1-CD2 4.02Å; F47-F116 HydrophobicContact CE1-CE2 4.3Å; F47-F116 HydrophobicContact CZ-CD2 4.44Å
48R84.6Confident84.2Confident48 Ų4853.1 Ų53.118%0.18127%0.268CS..Hα-helixtrans-58.1-43.4177.5-73.6-172.4-57.7-114.612112.7K44 K45 A46 L52 F116 L137K44-R48 WeakPolarHBondContact O-CB 3.38Å; K44-R48 VanDerWaalsContact O-CG 3.26Å; K44-R48 WeakPolarHBondContact O-CG 3.41Å; K44-R48 PolarHBondContact O-N 3.39Å; K45-R48 VanDerWaalsContact CG-NH2 3.28Å; K45-R48 PolarHBondContact O-N 2.77Å; A46-R48 VanDerWaalsContact C-N 3.34Å; A46-R48 PolarHBondContact O-N 2.79Å; R48-L52 WeakPolarHBondContact O-CG 3.34Å; R48-L52 PolarHBondContact O-N 3.15Å; R48-F116 HydrophobicContact CG-CE2 4.33Å; R48-L137 HydrophobicContact CB-CD2 4.44Å
49K86.2Confident83.6Confident104 Ų10455.3 Ų55.345%0.45228%0.278SS..Hα-helixtrans-62.2-44177.7-72176-177.6176.80111.5K45 A46 F47 K53 F138K45-K49 WeakPolarHBondContact O-CG 3.35Å; K45-K49 PolarHBondContact O-N 3.2Å; K45-K49 VanDerWaalsContact O-N 3.15Å; A46-K49 PolarHBondContact O-N 3.02Å; F47-K49 VanDerWaalsContact C-N 3.35Å; F47-K49 PolarHBondContact O-N 3.15Å; K49-K53 PolarHBondContact O-N 3.47Å; K49-F138 HydrophobicContact CD-CZ 4.38Å; K49-F138 HydrophobicContact CG-CZ 4.27Å
50L87.3Confident83Confident34 Ų3462 Ų6218%0.17830%0.3CS..Hα-helixtrans-75.3-38.5-177.6-68172.8000112.7I31 L32 A46 F47 L52 K53 Y54 I71I31-L50 WeakPolarHBondContact O-CD1 3.45Å; L32-L50 HydrophobicContact CD2-CD1 4.05Å; A46-L50 WeakPolarHBondContact O-CG 3.35Å; A46-L50 PolarHBondContact O-N 3.36Å; F47-L50 PolarHBondContact O-N 3.18Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 2.92Å; L50-K53 CarbonylContact O-C 3.55Å; L50-K53 WeakPolarHBondContact O-CA 3.46Å; L50-K53 WeakPolarHBondContact O-CB 3.45Å; L50-K53 PolarHBondContact O-N 3.29Å; L50-Y54 HydrophobicContact CD2-CE2 4.11Å; L50-Y54 WeakPolarHBondContact O-CD2 3.47Å; L50-Y54 PolarHBondContact O-N 3.44Å; L50-I71 HydrophobicContact CB-CD1 3.87Å; L50-I71 HydrophobicContact CB-CG1 4.41Å; L50-I71 HydrophobicContact CB-CG2 4.02Å; L50-I71 HydrophobicContact CD1-CD1 4.37Å; L50-I71 HydrophobicContact CD1-CG1 4.27Å; L50-I71 HydrophobicContact CD1-CG2 4.44Å
51A85Confident82.6Confident0 Ų065 Ų650%032%0.316CS..Hα-helixtrans-60.4-41.8175.600000111.8F47 K53 Y54 H55 F68 F116F47-A51 HydrophobicContact CE1-CB 4.13Å; F47-A51 HydrophobicContact CE2-CB 3.97Å; F47-A51 HydrophobicContact CZ-CB 3.6Å; F47-A51 VanDerWaalsContact O-CB 3.25Å; F47-A51 WeakPolarHBondContact O-CB 3.06Å; F47-A51 PolarHBondContact O-N 2.97Å; A51-K53 VanDerWaalsContact C-N 3.3Å; A51-K53 PolarHBondContact O-N 3.35Å; A51-Y54 PolarHBondContact O-N 3.39Å; A51-H55 WeakPolarHBondContact O-CB 3.44Å; A51-H55 PolarHBondContact O-N 2.79Å; A51-F68 HydrophobicContact CB-CE2 3.84Å; A51-F116 HydrophobicContact CB-CD2 4.32Å; A51-F116 HydrophobicContact CB-CE1 4.44Å; A51-F116 HydrophobicContact CB-CE2 3.83Å; A51-F116 HydrophobicContact CB-CZ 3.91Å
52L82.5Confident82.2Confident47 Ų4769.6 Ų69.625%0.24633%0.331CS..Hα-helixtrans-65.1-34.5172.6-70.1173000112.4R48 L50 K58 F116 L137R48-L52 WeakPolarHBondContact O-CG 3.34Å; R48-L52 PolarHBondContact O-N 3.15Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 2.92Å; L52-K58 WeakPolarHBondContact O-CD 3.34Å; L52-F116 HydrophobicContact CD2-CE1 3.85Å; L52-F116 HydrophobicContact CD2-CZ 3.79Å; L52-F116 HydrophobicContact CG-CE1 4.41Å; L52-F116 HydrophobicContact CG-CZ 3.9Å; L52-L137 HydrophobicContact CD1-CD1 4.31Å
53K83.3Confident82Confident128 Ų12871.3 Ų71.356%0.55734%0.341SS*.Hα-helixtrans-72.2-40.7179.2-172.2174-179.4176.70111.5K49 L50 A51 N59K49-K53 PolarHBondContact O-N 3.47Å; L50-K53 CarbonylContact O-C 3.55Å; L50-K53 WeakPolarHBondContact O-CA 3.46Å; L50-K53 WeakPolarHBondContact O-CB 3.45Å; L50-K53 PolarHBondContact O-N 3.29Å; A51-K53 VanDerWaalsContact C-N 3.3Å; A51-K53 PolarHBondContact O-N 3.35Å; K53-N59 PolarHBondContact O-ND2 3.17Å
54Y84.5Confident81.5Confident45 Ų4571.5 Ų71.518%0.17634%0.343CS..SBendtrans-104.318.2-175.2-64.5-71000113.9L50 A51 A64 K67 I71L50-Y54 HydrophobicContact CD2-CE2 4.11Å; L50-Y54 WeakPolarHBondContact O-CD2 3.47Å; L50-Y54 PolarHBondContact O-N 3.44Å; A51-Y54 PolarHBondContact O-N 3.39Å; Y54-A64 HydrophobicContact CD1-CB 4.16Å; Y54-K67 HydrophobicContact CD1-CB 4.15Å; Y54-K67 HydrophobicContact CD1-CD 4.1Å; Y54-K67 HydrophobicContact CE1-CB 4.23Å; Y54-K67 HydrophobicContact CE1-CD 3.43Å; Y54-K67 VanDerWaalsContact CE1-CD 3.43Å; Y54-K67 HydrophobicContact CE1-CG 4.48Å; Y54-K67 HydrophobicContact CG-CB 4.33Å; Y54-I71 HydrophobicContact CD2-CD1 3.37Å; Y54-I71 HydrophobicContact CE2-CD1 3.77Å; Y54-I71 HydrophobicContact CG-CD1 4.24Å
55H78Confident81.3Confident18 Ų1872.5 Ų72.58%0.08335%0.349CS..  trans-61.9134.3177.3-163.1-85.1000110.9A51 D57 K58 N59 F113A51-H55 WeakPolarHBondContact O-CB 3.44Å; A51-H55 PolarHBondContact O-N 2.79Å; H55-D57 WeakPolarHBondContact ND1-CB 3.49Å; H55-D57 PolarHBondContact ND1-N 2.89Å; H55-D57 VanDerWaalsContact ND1-N 3.14Å; H55-D57 PolarHBondContact O-N 3.24Å; H55-D57 VanDerWaalsContact O-N 3.15Å; H55-K58 PolarHBondContact O-N 2.95Å; H55-N59 PolarHBondContact O-N 3.42Å; H55-F113 AromaticContact CD2-CD1 3.53Å; H55-F113 AromaticContact CD2-CE1 3.32Å; H55-F113 WeakPolarHBondContact CD2-CE1 3.45Å; H55-F113 AromaticContact NE2-CD1 3.32Å; H55-F113 VanDerWaalsContact NE2-CD1 3.32Å; H55-F113 WeakPolarHBondContact NE2-CD1 3.26Å; H55-F113 AromaticContact NE2-CE1 3.6Å
56P75.5Confident81.2Confident58 Ų5874.8 Ų74.838%0.37736%0.358SS..THydrogen-bonded Turntrans-62.3-24.3-177.925.1-35.1000113.3F109 F113P56-F109 HydrophobicContact CG-CE1 4.19Å; P56-F109 HydrophobicContact CG-CZ 4.12Å; P56-F113 VanDerWaalsContact CD-CZ 3.44Å; P56-F113 HydrophobicContact CG-CE1 4.13Å; P56-F113 HydrophobicContact CG-CZ 4.09Å
57D77.2Confident81Confident125 Ų12579 Ų7967%0.66837%0.374SS*.THydrogen-bonded Turntrans-65.4-36.5171.9-172.254.8000112.7H55H55-D57 WeakPolarHBondContact ND1-CB 3.49Å; H55-D57 PolarHBondContact ND1-N 2.89Å; H55-D57 VanDerWaalsContact ND1-N 3.14Å; H55-D57 PolarHBondContact O-N 3.24Å; H55-D57 VanDerWaalsContact O-N 3.15Å
58K74.5Confident80.9Confident93 Ų9378.4 Ų78.440%0.40437%0.372SS..THydrogen-bonded Turntrans-92.3-37.1-175.7-71-170.5171.3-1400113.1L52 H55L52-K58 WeakPolarHBondContact O-CD 3.34Å; H55-K58 PolarHBondContact O-N 2.95Å
59N70.5Confident80.9Confident59 Ų5978.9 Ų78.932%0.31638%0.38SS..  trans-124.1111.6-179.5-76.8-40.3000109.3K53 H55 D61 A64K53-N59 PolarHBondContact O-ND2 3.17Å; H55-N59 PolarHBondContact O-N 3.42Å; N59-D61 PolarHBondContact O-N 3.42Å; N59-A64 HydrophobicContact CB-CB 3.66Å
60K75.7Confident80.9Confident191 Ų19178.3 Ų78.383%0.8338%0.377SS*.  trans-86.78.3-179.2-61.9-177.9-179179.80113.2
61D79.3Confident80.9Confident108 Ų10876.9 Ų76.958%0.57837%0.37SS*.  trans-77.8137.2-179.5-58.4-46.8000110.6N59 D63 A64 Q65N59-D61 PolarHBondContact O-N 3.42Å; D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 VanDerWaalsContact O-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.4Å; D61-A64 VanDerWaalsContact O-CB 3.3Å; D61-A64 WeakPolarHBondContact O-CB 3.25Å; D61-A64 PolarHBondContact O-N 2.61Å; D61-Q65 PolarHBondContact O-N 2.93Å
62E76.7Confident81.1Confident150 Ų15076.9 Ų76.970%0.70137%0.37SS*.Hα-helixtrans-57.9-29.8174.4-63.1-174.7177.900112A64 Q65 K66E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.26Å; E62-Q65 PolarHBondContact O-N 2.85Å; E62-K66 PolarHBondContact O-N 2.81Å; E62-K66 VanDerWaalsContact O-N 3.17Å
63D81.9Confident81.3Confident98 Ų9878.7 Ų78.752%0.52438%0.377SS..Hα-helixtrans-68.9-29.3175.9-70.2-24000112.6D61 K66 K67D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 VanDerWaalsContact O-N 3.16Å; D63-K66 PolarHBondContact O-N 3.43Å; D63-K67 WeakPolarHBondContact O-CB 3.5Å; D63-K67 VanDerWaalsContact O-CG 3.26Å; D63-K67 WeakPolarHBondContact O-CG 3.44Å; D63-K67 PolarHBondContact O-N 3.49Å
64A79.6Confident81.5Confident5 Ų572.6 Ų72.64%0.04135%0.351CS..Hα-helixtrans-67.8-40.6175.900000110.7Y54 N59 D61 E62 K67 F68Y54-A64 HydrophobicContact CD1-CB 4.16Å; N59-A64 HydrophobicContact CB-CB 3.66Å; D61-A64 HydrophobicContact CB-CB 4.4Å; D61-A64 VanDerWaalsContact O-CB 3.3Å; D61-A64 WeakPolarHBondContact O-CB 3.25Å; D61-A64 PolarHBondContact O-N 2.61Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.26Å; A64-K67 PolarHBondContact O-N 3.15Å; A64-F68 WeakPolarHBondContact O-CB 3.47Å; A64-F68 PolarHBondContact O-N 3.5Å
65Q81.7Confident81.7Confident111 Ų11172.8 Ų72.852%0.51935%0.351SS..Hα-helixtrans-61.9-49174.1-174.6-179.1-4.300111.3D61 E62 K67 F68 V69 F109D61-Q65 PolarHBondContact O-N 2.93Å; E62-Q65 PolarHBondContact O-N 2.85Å; Q65-K67 VanDerWaalsContact C-N 3.3Å; Q65-K67 PolarHBondContact O-N 2.95Å; Q65-F68 PolarHBondContact O-N 3.49Å; Q65-F68 VanDerWaalsContact O-N 3.15Å; Q65-V69 WeakPolarHBondContact O-CG2 3.47Å; Q65-V69 PolarHBondContact O-N 3.18Å; Q65-F109 HydrophobicContact CG-CE2 4.15Å; Q65-F109 HydrophobicContact CG-CZ 4.34Å
66K84.2Confident82.2Confident124 Ų12474.5 Ų74.554%0.53936%0.361SS..Hα-helixtrans-58.9-41.1178.2-70173.9-173.1163.90112.2E62 D63 K70E62-K66 PolarHBondContact O-N 2.81Å; E62-K66 VanDerWaalsContact O-N 3.17Å; D63-K66 PolarHBondContact O-N 3.43Å; K66-K70 WeakPolarHBondContact O-CG 3.48Å; K66-K70 PolarHBondContact O-N 2.93Å
67K84.7Confident82.7Confident101 Ų10172 Ų7244%0.43934%0.344SS..Hα-helixtrans-67-42.5175.7-73.4174.4-175.2176.80111.7Y54 D63 A64 Q65 V69 K70 I71Y54-K67 HydrophobicContact CD1-CB 4.15Å; Y54-K67 HydrophobicContact CD1-CD 4.1Å; Y54-K67 HydrophobicContact CE1-CB 4.23Å; Y54-K67 HydrophobicContact CE1-CD 3.43Å; Y54-K67 VanDerWaalsContact CE1-CD 3.43Å; Y54-K67 HydrophobicContact CE1-CG 4.48Å; Y54-K67 HydrophobicContact CG-CB 4.33Å; D63-K67 WeakPolarHBondContact O-CB 3.5Å; D63-K67 VanDerWaalsContact O-CG 3.26Å; D63-K67 WeakPolarHBondContact O-CG 3.44Å; D63-K67 PolarHBondContact O-N 3.49Å; A64-K67 PolarHBondContact O-N 3.15Å; Q65-K67 VanDerWaalsContact C-N 3.3Å; Q65-K67 PolarHBondContact O-N 2.95Å; K67-V69 VanDerWaalsContact C-N 3.34Å; K67-V69 PolarHBondContact O-N 3.25Å; K67-K70 PolarHBondContact O-N 2.89Å; K67-I71 WeakPolarHBondContact O-CB 3.46Å; K67-I71 WeakPolarHBondContact O-CD1 3.4Å; K67-I71 VanDerWaalsContact O-CG1 3.25Å; K67-I71 WeakPolarHBondContact O-CG1 3.37Å; K67-I71 PolarHBondContact O-N 3.41Å
68F85.3Confident83.2Confident0 Ų066 Ų660%031%0.313CS..Hα-helixtrans-60.9-44.3178.3-175.4-84.4000111.8A51 A64 Q65 K70 I71 A72 F109 F112 F113A51-F68 HydrophobicContact CB-CE2 3.84Å; A64-F68 WeakPolarHBondContact O-CB 3.47Å; A64-F68 PolarHBondContact O-N 3.5Å; Q65-F68 PolarHBondContact O-N 3.49Å; Q65-F68 VanDerWaalsContact O-N 3.15Å; F68-K70 VanDerWaalsContact C-N 3.33Å; F68-K70 PolarHBondContact O-N 3.4Å; F68-I71 PolarHBondContact O-N 2.89Å; F68-A72 HydrophobicContact CD1-CB 4.49Å; F68-A72 HydrophobicContact CE1-CB 4.12Å; F68-A72 WeakPolarHBondContact O-CB 3.28Å; F68-A72 PolarHBondContact O-N 3.46Å; F68-F109 HydrophobicContact CB-CE2 4.33Å; F68-F109 AromaticContact CD1-CD2 3.67Å; F68-F109 HydrophobicContact CD1-CD2 3.67Å; F68-F109 AromaticContact CD1-CE2 3.31Å; F68-F109 HydrophobicContact CD1-CE2 3.31Å; F68-F109 HydrophobicContact CD1-CZ 4.22Å; F68-F109 AromaticContact CE1-CD2 3.97Å; F68-F109 HydrophobicContact CE1-CD2 3.97Å; F68-F109 AromaticContact CE1-CE2 3.91Å; F68-F109 HydrophobicContact CE1-CE2 3.91Å; F68-F109 HydrophobicContact CG-CE2 4.04Å; F68-F112 AromaticContact CE1-CD1 3.76Å; F68-F112 HydrophobicContact CE1-CD1 3.76Å; F68-F112 AromaticContact CE1-CE1 3.95Å; F68-F112 HydrophobicContact CE1-CE1 3.95Å; F68-F112 AromaticContact CZ-CD1 3.61Å; F68-F112 HydrophobicContact CZ-CD1 3.61Å; F68-F112 AromaticContact CZ-CE1 3.58Å; F68-F112 HydrophobicContact CZ-CE1 3.58Å; F68-F113 AromaticContact CD1-CE2 3.55Å; F68-F113 HydrophobicContact CD1-CE2 3.55Å; F68-F113 AromaticContact CD1-CZ 3.47Å; F68-F113 HydrophobicContact CD1-CZ 3.47Å; F68-F113 VanDerWaalsContact CD1-CZ 3.47Å; F68-F113 HydrophobicContact CD2-CE1 4.2Å; F68-F113 HydrophobicContact CD2-CE2 4.49Å; F68-F113 AromaticContact CD2-CZ 3.61Å; F68-F113 HydrophobicContact CD2-CZ 3.61Å; F68-F113 HydrophobicContact CE1-CD2 4.1Å; F68-F113 HydrophobicContact CE1-CE1 4.09Å; F68-F113 AromaticContact CE1-CE2 3.06Å; F68-F113 HydrophobicContact CE1-CE2 3.06Å; F68-F113 AromaticContact CE1-CZ 3.14Å; F68-F113 HydrophobicContact CE1-CZ 3.14Å; F68-F113 AromaticContact CE2-CE1 3.58Å; F68-F113 HydrophobicContact CE2-CE1 3.58Å; F68-F113 HydrophobicContact CE2-CE2 4.08Å; F68-F113 AromaticContact CE2-CZ 3.27Å; F68-F113 HydrophobicContact CE2-CZ 3.27Å; F68-F113 HydrophobicContact CG-CE2 4.25Å; F68-F113 AromaticContact CG-CZ 3.69Å; F68-F113 HydrophobicContact CG-CZ 3.69Å; F68-F113 HydrophobicContact CZ-CD1 4.25Å; F68-F113 HydrophobicContact CZ-CD2 4.25Å; F68-F113 AromaticContact CZ-CE1 3.51Å; F68-F113 HydrophobicContact CZ-CE1 3.51Å; F68-F113 AromaticContact CZ-CE2 3.36Å; F68-F113 HydrophobicContact CZ-CE2 3.36Å; F68-F113 AromaticContact CZ-CZ 3.01Å; F68-F113 HydrophobicContact CZ-CZ 3.01Å
69V84.6Confident83.7Confident57 Ų5763 Ų6335%0.34530%0.304SS..Hα-helixtrans-55.9-49.4176.6172.20000110.3Q65 K67 I71 A72 E73 F109Q65-V69 WeakPolarHBondContact O-CG2 3.47Å; Q65-V69 PolarHBondContact O-N 3.18Å; K67-V69 VanDerWaalsContact C-N 3.34Å; K67-V69 PolarHBondContact O-N 3.25Å; V69-I71 PolarHBondContact O-N 2.89Å; V69-A72 PolarHBondContact O-N 2.81Å; V69-E73 WeakPolarHBondContact O-CB 3.37Å; V69-E73 PolarHBondContact O-N 3.36Å; V69-F109 HydrophobicContact CG2-CD2 4.22Å; V69-F109 HydrophobicContact CG2-CE2 4.46Å
70K86.7Confident84.5Confident92 Ų9263.5 Ų63.540%0.431%0.306SS..Hα-helixtrans-60.2-41.8176.2-71.8-177.4170.7-165.20113.6I31 K66 K67 F68 A72 A74I31-K70 HydrophobicContact CD1-CB 4.32Å; I31-K70 HydrophobicContact CG2-CB 4.31Å; K66-K70 WeakPolarHBondContact O-CG 3.48Å; K66-K70 PolarHBondContact O-N 2.93Å; K67-K70 PolarHBondContact O-N 2.89Å; F68-K70 VanDerWaalsContact C-N 3.33Å; F68-K70 PolarHBondContact O-N 3.4Å; K70-A72 VanDerWaalsContact C-N 3.32Å; K70-A74 WeakPolarHBondContact O-CB 3.27Å; K70-A74 PolarHBondContact O-N 3.15Å
71I88.6Confident85Confident5 Ų558.3 Ų58.33%0.02629%0.288CS..Hα-helixtrans-64.1-39.3178.3-73.2158.2000111.1I31 L32 F47 L50 Y54 K67 F68 V69 Y75I31-I71 HydrophobicContact CG2-CB 4.4Å; I31-I71 HydrophobicContact CG2-CG1 3.76Å; L32-I71 HydrophobicContact CD2-CG2 3.98Å; F47-I71 HydrophobicContact CD2-CG2 3.61Å; F47-I71 HydrophobicContact CE2-CG2 3.89Å; L50-I71 HydrophobicContact CB-CD1 3.87Å; L50-I71 HydrophobicContact CB-CG1 4.41Å; L50-I71 HydrophobicContact CB-CG2 4.02Å; L50-I71 HydrophobicContact CD1-CD1 4.37Å; L50-I71 HydrophobicContact CD1-CG1 4.27Å; L50-I71 HydrophobicContact CD1-CG2 4.44Å; Y54-I71 HydrophobicContact CD2-CD1 3.37Å; Y54-I71 HydrophobicContact CE2-CD1 3.77Å; Y54-I71 HydrophobicContact CG-CD1 4.24Å; K67-I71 WeakPolarHBondContact O-CB 3.46Å; K67-I71 WeakPolarHBondContact O-CD1 3.4Å; K67-I71 VanDerWaalsContact O-CG1 3.25Å; K67-I71 WeakPolarHBondContact O-CG1 3.37Å; K67-I71 PolarHBondContact O-N 3.41Å; F68-I71 PolarHBondContact O-N 2.89Å; V69-I71 PolarHBondContact O-N 2.89Å; I71-Y75 WeakPolarHBondContact O-CB 3.32Å; I71-Y75 PolarHBondContact O-N 3.17Å
72A87.3Confident85.2Confident0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-76-37.9-178.500000112.4F68 V69 K70 A74 Y75 D76 F107 F112F68-A72 HydrophobicContact CD1-CB 4.49Å; F68-A72 HydrophobicContact CE1-CB 4.12Å; F68-A72 WeakPolarHBondContact O-CB 3.28Å; F68-A72 PolarHBondContact O-N 3.46Å; V69-A72 PolarHBondContact O-N 2.81Å; K70-A72 VanDerWaalsContact C-N 3.32Å; A72-A74 VanDerWaalsContact C-N 3.35Å; A72-Y75 PolarHBondContact O-N 3.42Å; A72-D76 PolarHBondContact O-N 3.33Å; A72-F107 HydrophobicContact CB-CE1 3.75Å; A72-F107 HydrophobicContact CB-CE2 3.61Å; A72-F107 HydrophobicContact CB-CZ 3.1Å; A72-F112 HydrophobicContact CB-CD1 4.12Å; A72-F112 HydrophobicContact CB-CE1 3.56Å; A72-F112 HydrophobicContact CB-CZ 3.88Å
73E86.6Confident85.7Confident85 Ų8553.5 Ų53.540%0.39726%0.261SS..Hα-helixtrans-58.1-47.6169.1-176176.9-160.400110.9Y28 V69 Y75 D76 V77Y28-E73 HydrophobicContact CE1-CG 3.91Å; Y28-E73 PolarHBondContact OH-OE1 3.42Å; V69-E73 WeakPolarHBondContact O-CB 3.37Å; V69-E73 PolarHBondContact O-N 3.36Å; E73-Y75 VanDerWaalsContact C-N 3.3Å; E73-Y75 PolarHBondContact O-N 3.4Å; E73-D76 PolarHBondContact O-N 2.98Å; E73-V77 WeakPolarHBondContact O-CG2 3.29Å; E73-V77 PolarHBondContact O-N 3.18Å; E73-V77 VanDerWaalsContact O-N 3.14Å
74A88.5Confident85.9Confident0 Ų050.2 Ų50.20%024%0.241CC..Hα-helixtrans-57.1-42.5174.600000112.5Y28 I31 L32 K70 A72 L78Y28-A74 VanDerWaalsContact CD1-CA 3.4Å; Y28-A74 HydrophobicContact CD1-CB 3.52Å; Y28-A74 HydrophobicContact CE1-CB 4.41Å; Y28-A74 HydrophobicContact CG-CB 3.9Å; I31-A74 HydrophobicContact CB-CB 4.31Å; I31-A74 HydrophobicContact CG2-CB 4.19Å; L32-A74 HydrophobicContact CD1-CB 4.39Å; L32-A74 HydrophobicContact CD2-CB 4.48Å; L32-A74 HydrophobicContact CG-CB 4.06Å; K70-A74 WeakPolarHBondContact O-CB 3.27Å; K70-A74 PolarHBondContact O-N 3.15Å; A72-A74 VanDerWaalsContact C-N 3.35Å; A74-L78 VanDerWaalsContact O-CB 3.24Å; A74-L78 WeakPolarHBondContact O-CB 3.49Å; A74-L78 VanDerWaalsContact O-CG 3.24Å; A74-L78 WeakPolarHBondContact O-CG 3.35Å; A74-L78 PolarHBondContact O-N 3.38Å
75Y89.4Confident86.1Confident48 Ų4857.1 Ų57.119%0.18827%0.266CS..Hα-helixtrans-66.4-43.3177.7174.8-98.9000112.6V43 K44 F47 I71 A72 E73 V77 L78 S79 F112V43-Y75 HydrophobicContact CG1-CD2 4.01Å; V43-Y75 HydrophobicContact CG1-CE2 4.44Å; K44-Y75 HydrophobicContact CB-CE2 4.44Å; K44-Y75 HydrophobicContact CG-CE2 3.73Å; F47-Y75 HydrophobicContact CB-CD2 3.52Å; F47-Y75 HydrophobicContact CB-CE2 4.22Å; F47-Y75 HydrophobicContact CB-CG 4.07Å; F47-Y75 HydrophobicContact CD1-CD1 4.41Å; F47-Y75 AromaticContact CD1-CD2 3.9Å; F47-Y75 HydrophobicContact CD1-CD2 3.9Å; F47-Y75 HydrophobicContact CD1-CE2 4.12Å; F47-Y75 HydrophobicContact CD1-CG 4.05Å; F47-Y75 HydrophobicContact CD2-CD2 4.19Å; F47-Y75 AromaticContact CD2-CG 3.85Å; F47-Y75 HydrophobicContact CD2-CG 3.85Å; F47-Y75 HydrophobicContact CG-CD1 4.39Å; F47-Y75 AromaticContact CG-CD2 3.55Å; F47-Y75 HydrophobicContact CG-CD2 3.55Å; F47-Y75 HydrophobicContact CG-CE2 4.21Å; F47-Y75 AromaticContact CG-CG 3.65Å; F47-Y75 HydrophobicContact CG-CG 3.65Å; I71-Y75 WeakPolarHBondContact O-CB 3.32Å; I71-Y75 PolarHBondContact O-N 3.17Å; A72-Y75 PolarHBondContact O-N 3.42Å; E73-Y75 VanDerWaalsContact C-N 3.3Å; E73-Y75 PolarHBondContact O-N 3.4Å; Y75-V77 VanDerWaalsContact C-N 3.3Å; Y75-V77 PolarHBondContact O-N 2.86Å; Y75-L78 PolarHBondContact O-N 2.74Å; Y75-S79 WeakPolarHBondContact O-CB 3.44Å; Y75-S79 PolarHBondContact O-N 3.01Å; Y75-S79 PolarHBondContact O-OG 3.23Å; Y75-F112 AromaticContact CD1-CE2 3.88Å; Y75-F112 HydrophobicContact CD1-CE2 3.88Å; Y75-F112 AromaticContact CD1-CZ 3.95Å; Y75-F112 HydrophobicContact CD1-CZ 3.95Å; Y75-F112 HydrophobicContact CE1-CE2 4.19Å
76D87Confident86.1Confident55 Ų5555.5 Ų55.529%0.29426%0.259SS..Hα-helixtrans-61.1-40.5179.3-176.850.3000111.7A72 E73 K83A72-D76 PolarHBondContact O-N 3.33Å; E73-D76 PolarHBondContact O-N 2.98Å; D76-K83 WeakPolarHBondContact O-CD 3.36Å; D76-K83 IonicContact OD1-NZ 2.8Å; D76-K83 PolarHBondContact OD1-NZ 2.9Å; D76-K83 IonicContact OD2-NZ 2.89Å; D76-K83 PolarHBondContact OD2-NZ 3.23Å
77V86.9Confident86.1Confident4 Ų449.9 Ų49.92%0.02423%0.234CC..Hα-helixtrans-74-42.8178.6-179.10000112.1Y28 E73 Y75 K83 R84 Y87 Y95Y28-V77 HydrophobicContact CD2-CB 3.89Å; Y28-V77 HydrophobicContact CD2-CG1 3.84Å; Y28-V77 HydrophobicContact CD2-CG2 4.27Å; Y28-V77 HydrophobicContact CE2-CB 3.75Å; Y28-V77 HydrophobicContact CE2-CG1 3.75Å; Y28-V77 HydrophobicContact CE2-CG2 3.63Å; E73-V77 WeakPolarHBondContact O-CG2 3.29Å; E73-V77 PolarHBondContact O-N 3.18Å; E73-V77 VanDerWaalsContact O-N 3.14Å; Y75-V77 VanDerWaalsContact C-N 3.3Å; Y75-V77 PolarHBondContact O-N 2.86Å; V77-K83 HydrophobicContact CG1-CB 4.3Å; V77-K83 CarbonylContact O-C 3.5Å; V77-K83 VanDerWaalsContact O-CB 3.28Å; V77-K83 WeakPolarHBondContact O-CB 3.04Å; V77-R84 PolarHBondContact O-N 3.14Å; V77-R84 VanDerWaalsContact O-N 3.1Å; V77-Y87 HydrophobicContact CG1-CD2 4.12Å; V77-Y87 HydrophobicContact CG1-CG 3.99Å; V77-Y95 HydrophobicContact CG1-CE1 4.09Å; V77-Y95 HydrophobicContact CG1-CE2 4.48Å; V77-Y95 HydrophobicContact CG2-CE1 3.58Å
78L87.5Confident86Confident0 Ų049.1 Ų49.10%024%0.235CC..Hα-helixtrans-84.6-17.7-174.3-65.4179.5000114.3Y29 L32 I34 V43 A74 Y75 R84 Y87Y29-L78 HydrophobicContact CD1-CD1 3.95Å; Y29-L78 HydrophobicContact CD1-CD2 4.31Å; Y29-L78 HydrophobicContact CD2-CD2 4.49Å; Y29-L78 HydrophobicContact CE1-CD1 4.08Å; Y29-L78 HydrophobicContact CE1-CD2 3.68Å; Y29-L78 HydrophobicContact CE2-CD2 3.92Å; Y29-L78 HydrophobicContact CG-CD1 4.32Å; Y29-L78 VanDerWaalsContact CZ-CD2 3.47Å; L32-L78 HydrophobicContact CD1-CD1 3.82Å; I34-L78 HydrophobicContact CD1-CD1 4.31Å; V43-L78 HydrophobicContact CG1-CB 3.89Å; V43-L78 HydrophobicContact CG2-CB 4.32Å; A74-L78 VanDerWaalsContact O-CB 3.24Å; A74-L78 WeakPolarHBondContact O-CB 3.49Å; A74-L78 VanDerWaalsContact O-CG 3.24Å; A74-L78 WeakPolarHBondContact O-CG 3.35Å; A74-L78 PolarHBondContact O-N 3.38Å; Y75-L78 PolarHBondContact O-N 2.74Å; L78-R84 HydrophobicContact CD2-CG 4.05Å; L78-Y87 HydrophobicContact CD2-CD1 4.36Å
79S85.2Confident85.8Confident31 Ų3153.6 Ų53.622%0.21727%0.266CS..Hα-helixtrans-81.5-23.1-179.365.10000113.9Y75Y75-S79 WeakPolarHBondContact O-CB 3.44Å; Y75-S79 PolarHBondContact O-N 3.01Å; Y75-S79 PolarHBondContact O-OG 3.23Å
80D86.7Confident85.1Confident69 Ų6953.8 Ų53.837%0.36927%0.267SS..SBendtrans-97.7119.4174.5-175.7-22.2000109.4E82 K83 R84D80-E82 PolarHBondContact O-N 3.05Å; D80-E82 VanDerWaalsContact O-N 3.17Å; D80-E82 WeakPolarHBondContact OD1-CB 3.4Å; D80-E82 PolarHBondContact OD1-N 3.47Å; D80-K83 HydrophobicContact CB-CB 4.06Å; D80-K83 HydrophobicContact CB-CD 4.04Å; D80-K83 HydrophobicContact CB-CG 4Å; D80-K83 PolarHBondContact O-N 2.72Å; D80-R84 WeakPolarHBondContact O-CB 3.19Å; D80-R84 PolarHBondContact O-N 2.89Å
81D86.2Confident84.1Confident82 Ų8250.8 Ų50.844%0.43926%0.262SS..Hα-helixtrans-57.3-31.5-179.4-70-34.4000112.5N40 R85N40-D81 PolarHBondContact ND2-OD1 3.17Å; D81-R85 WeakPolarHBondContact O-CB 3.43Å; D81-R85 VanDerWaalsContact O-CG 3.23Å; D81-R85 WeakPolarHBondContact O-CG 3Å; D81-R85 PolarHBondContact O-N 3.4Å; D81-R85 VanDerWaalsContact O-N 3.08Å; D81-R85 PolarHBondContact O-NH1 3.39Å
82E84.9Confident82.9Confident110 Ų11051.9 Ų51.951%0.51427%0.267SS..Hα-helixtrans-70.9-49.7177-169.3179.9161.500111.6D80 R84 R85 Q86D80-E82 PolarHBondContact O-N 3.05Å; D80-E82 VanDerWaalsContact O-N 3.17Å; D80-E82 WeakPolarHBondContact OD1-CB 3.4Å; D80-E82 PolarHBondContact OD1-N 3.47Å; E82-R84 VanDerWaalsContact C-N 3.32Å; E82-R84 PolarHBondContact O-N 2.89Å; E82-R85 PolarHBondContact O-N 2.74Å; E82-Q86 WeakPolarHBondContact O-CG 3.27Å; E82-Q86 PolarHBondContact O-N 3.43Å; E82-Q86 PolarHBondContact OE1-NE2 2.94Å
83K85.8Confident81.6Confident46 Ų4654.6 Ų54.620%0.229%0.286CS..Hα-helixtrans-63.5-39.1177.4-66.2-177.4-176.7175.90111.6D76 V77 D80 Q86 Y87D76-K83 WeakPolarHBondContact O-CD 3.36Å; D76-K83 IonicContact OD1-NZ 2.8Å; D76-K83 PolarHBondContact OD1-NZ 2.9Å; D76-K83 IonicContact OD2-NZ 2.89Å; D76-K83 PolarHBondContact OD2-NZ 3.23Å; V77-K83 HydrophobicContact CG1-CB 4.3Å; V77-K83 CarbonylContact O-C 3.5Å; V77-K83 VanDerWaalsContact O-CB 3.28Å; V77-K83 WeakPolarHBondContact O-CB 3.04Å; D80-K83 HydrophobicContact CB-CB 4.06Å; D80-K83 HydrophobicContact CB-CD 4.04Å; D80-K83 HydrophobicContact CB-CG 4Å; D80-K83 PolarHBondContact O-N 2.72Å; K83-Q86 WeakPolarHBondContact O-CB 3.38Å; K83-Q86 PolarHBondContact O-N 3.06Å; K83-Y87 WeakPolarHBondContact O-CB 3.41Å; K83-Y87 PolarHBondContact O-N 3.46Å
84R86.6Confident80.2Confident29 Ų2957.2 Ų57.211%0.10929%0.293CS..Hα-helixtrans-62-46.3175.9-176.9175.9177.7176.2-0.5111.5Y29 K36 A38 N40 V77 L78 D80 E82 Q86 Y87 D88Y29-R84 PolarHBondContact OH-NE 2.8Å; Y29-R84 VanDerWaalsContact OH-NE 3.07Å; K36-R84 PolarHBondContact O-NH2 2.82Å; A38-R84 PolarHBondContact O-NH1 3Å; A38-R84 PolarHBondContact O-NH2 3.06Å; N40-R84 PolarHBondContact OD1-NH1 3.32Å; V77-R84 PolarHBondContact O-N 3.14Å; V77-R84 VanDerWaalsContact O-N 3.1Å; L78-R84 HydrophobicContact CD2-CG 4.05Å; D80-R84 WeakPolarHBondContact O-CB 3.19Å; D80-R84 PolarHBondContact O-N 2.89Å; E82-R84 VanDerWaalsContact C-N 3.32Å; E82-R84 PolarHBondContact O-N 2.89Å; R84-Q86 VanDerWaalsContact C-N 3.33Å; R84-Q86 PolarHBondContact O-N 3.28Å; R84-Y87 WeakPolarHBondContact O-CB 3.43Å; R84-Y87 PolarHBondContact O-N 3.36Å; R84-D88 WeakPolarHBondContact O-CB 3.27Å; R84-D88 PolarHBondContact O-N 2.82Å
85R84.6Confident78.8Confident151 Ų15159.8 Ų59.857%0.5730%0.303SS*.Hα-helixtrans-61-41.9174.3-76.3-173.3-51.9-93.42.3112D81 E82 D88 S89D81-R85 WeakPolarHBondContact O-CB 3.43Å; D81-R85 VanDerWaalsContact O-CG 3.23Å; D81-R85 WeakPolarHBondContact O-CG 3Å; D81-R85 PolarHBondContact O-N 3.4Å; D81-R85 VanDerWaalsContact O-N 3.08Å; D81-R85 PolarHBondContact O-NH1 3.39Å; E82-R85 PolarHBondContact O-N 2.74Å; R85-D88 PolarHBondContact O-N 2.98Å; R85-S89 VanDerWaalsContact O-CB 3.28Å; R85-S89 WeakPolarHBondContact O-CB 3.18Å; R85-S89 PolarHBondContact O-N 3.48Å; R85-S89 PolarHBondContact O-OG 2.83Å
86Q82Confident77.3Confident77 Ų7761.2 Ų61.236%0.3632%0.317SS..Hα-helixtrans-61.4-49.3176-71.1174.410.400110.4E82 K83 R84 D88 S89 V90E82-Q86 WeakPolarHBondContact O-CG 3.27Å; E82-Q86 PolarHBondContact O-N 3.43Å; E82-Q86 PolarHBondContact OE1-NE2 2.94Å; K83-Q86 WeakPolarHBondContact O-CB 3.38Å; K83-Q86 PolarHBondContact O-N 3.06Å; R84-Q86 VanDerWaalsContact C-N 3.33Å; R84-Q86 PolarHBondContact O-N 3.28Å; Q86-D88 PolarHBondContact O-N 3.44Å; Q86-S89 WeakPolarHBondContact CA-OG 3.29Å; Q86-S89 PolarHBondContact O-N 3.26Å; Q86-S89 PolarHBondContact O-OG 3.34Å; Q86-V90 WeakPolarHBondContact O-CB 3.22Å; Q86-V90 VanDerWaalsContact O-CG2 3.26Å; Q86-V90 WeakPolarHBondContact O-CG2 3.49Å; Q86-V90 PolarHBondContact O-N 3.44Å
87Y83.1Confident75.8Confident5 Ų565.3 Ų65.32%0.0234%0.335CS..Hα-helixtrans-56.6-47.2175.4179.4-96.9000112.8D27 Y28 Y29 V77 L78 K83 R84 S89 G91 H92 Y95D27-Y87 WeakPolarHBondContact CA-OH 3.4Å; D27-Y87 PolarHBondContact OD1-OH 2.83Å; Y28-Y87 HydrophobicContact CD2-CD1 4.31Å; Y28-Y87 AromaticContact CD2-CD2 3.43Å; Y28-Y87 HydrophobicContact CD2-CD2 3.43Å; Y28-Y87 VanDerWaalsContact CD2-CD2 3.43Å; Y28-Y87 HydrophobicContact CD2-CE1 4.07Å; Y28-Y87 AromaticContact CD2-CE2 3.11Å; Y28-Y87 HydrophobicContact CD2-CE2 3.11Å; Y28-Y87 HydrophobicContact CD2-CG 4.02Å; Y28-Y87 AromaticContact CD2-CZ 3.48Å; Y28-Y87 VanDerWaalsContact CD2-CZ 3.48Å; Y28-Y87 AromaticContact CE2-CD2 3.43Å; Y28-Y87 HydrophobicContact CE2-CD2 3.43Å; Y28-Y87 VanDerWaalsContact CE2-CD2 3.43Å; Y28-Y87 AromaticContact CE2-CE2 3.27Å; Y28-Y87 HydrophobicContact CE2-CE2 3.27Å; Y28-Y87 HydrophobicContact CE2-CG 4.35Å; Y28-Y87 HydrophobicContact CG-CE2 4.03Å; Y28-Y87 PolarHBondContact N-OH 3.49Å; Y28-Y87 VanDerWaalsContact N-OH 3.11Å; Y29-Y87 HydrophobicContact CD2-CE1 4.06Å; Y29-Y87 HydrophobicContact CE2-CD1 4.05Å; Y29-Y87 AromaticContact CE2-CE1 3.72Å; Y29-Y87 HydrophobicContact CE2-CE1 3.72Å; V77-Y87 HydrophobicContact CG1-CD2 4.12Å; V77-Y87 HydrophobicContact CG1-CG 3.99Å; L78-Y87 HydrophobicContact CD2-CD1 4.36Å; K83-Y87 WeakPolarHBondContact O-CB 3.41Å; K83-Y87 PolarHBondContact O-N 3.46Å; R84-Y87 WeakPolarHBondContact O-CB 3.43Å; R84-Y87 PolarHBondContact O-N 3.36Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.72Å; Y87-G91 WeakPolarHBondContact O-CA 3.26Å; Y87-G91 PolarHBondContact O-N 3.12Å; Y87-H92 HydrophobicContact CE2-CB 3.99Å; Y87-H92 AromaticContact CE2-ND1 3.51Å; Y87-H92 AromaticContact CZ-ND1 3.67Å; Y87-H92 PolarHBondContact OH-ND1 3.22Å; Y87-Y95 HydrophobicContact CD2-CD1 4.15Å; Y87-Y95 HydrophobicContact CD2-CD2 4.48Å; Y87-Y95 AromaticContact CD2-CG 3.98Å; Y87-Y95 HydrophobicContact CD2-CG 3.98Å
88D83.7Confident73.9Confident85 Ų8570 Ų7046%0.45536%0.356SS..Hα-helixtrans-68.2-32-178.8-69.7-19.9000112.7Y29 R84 R85 Q86Y29-D88 WeakPolarHBondContact CE2-OD1 3.13Å; Y29-D88 VanDerWaalsContact OH-CG 3.31Å; Y29-D88 PolarHBondContact OH-OD1 3.24Å; Y29-D88 PolarHBondContact OH-OD2 3.37Å; R84-D88 WeakPolarHBondContact O-CB 3.27Å; R84-D88 PolarHBondContact O-N 2.82Å; R85-D88 PolarHBondContact O-N 2.98Å; Q86-D88 PolarHBondContact O-N 3.44Å
89S79.7Confident71.7Confident94 Ų9476.4 Ų76.466%0.65740%0.398SS*.Hα-helixtrans-82.7-33.5-180580000113.8R85 Q86 Y87R85-S89 VanDerWaalsContact O-CB 3.28Å; R85-S89 WeakPolarHBondContact O-CB 3.18Å; R85-S89 PolarHBondContact O-N 3.48Å; R85-S89 PolarHBondContact O-OG 2.83Å; Q86-S89 WeakPolarHBondContact CA-OG 3.29Å; Q86-S89 PolarHBondContact O-N 3.26Å; Q86-S89 PolarHBondContact O-OG 3.34Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.72Å
90V70.8Confident69.9Low62 Ų6278.9 Ų78.938%0.37643%0.428SS..Hα-helixtrans-94.3-26.7-172.6170.60000111.8Q86 Y94Q86-V90 WeakPolarHBondContact O-CB 3.22Å; Q86-V90 VanDerWaalsContact O-CG2 3.26Å; Q86-V90 WeakPolarHBondContact O-CG2 3.49Å; Q86-V90 PolarHBondContact O-N 3.44Å; V90-Y94 VanDerWaalsContact CG1-CB 3.44Å; V90-Y94 HydrophobicContact CG1-CD1 3.09Å; V90-Y94 HydrophobicContact CG1-CE1 4.02Å; V90-Y94 HydrophobicContact CG1-CG 3.55Å
91G65.4Low67.7Low28 Ų2877 Ų7729%0.28942%0.424SS..  trans79.5149.5-175.400000112.7Y87 S93 Y94 Y95Y87-G91 WeakPolarHBondContact O-CA 3.26Å; Y87-G91 PolarHBondContact O-N 3.12Å; G91-S93 PolarHBondContact O-N 2.8Å; G91-S93 VanDerWaalsContact O-N 3.13Å; G91-Y94 PolarHBondContact O-N 3.05Å; G91-Y94 VanDerWaalsContact O-N 3.13Å; G91-Y95 PolarHBondContact O-N 2.69Å; G91-Y95 VanDerWaalsContact O-N 3.1Å
92H62.4Low65.6Low29 Ų2980.9 Ų80.913%0.13445%0.445CS..Hα-helixtrans-52.1-39.7-175.1-17092.8000113.1E25 Q26 Y87 Y94 Y95 T96E25-H92 VanDerWaalsContact CB-CD2 3.41Å; E25-H92 WeakPolarHBondContact CB-CD2 3.39Å; E25-H92 VanDerWaalsContact CG-CD2 3.44Å; E25-H92 WeakPolarHBondContact CG-CD2 3.16Å; E25-H92 IonicContact OE1-CD2 2.77Å; Q26-H92 PolarHBondContact O-CE1 2.85Å; Q26-H92 PolarHBondContact O-ND1 2.81Å; Y87-H92 HydrophobicContact CE2-CB 3.99Å; Y87-H92 AromaticContact CE2-ND1 3.51Å; Y87-H92 AromaticContact CZ-ND1 3.67Å; Y87-H92 PolarHBondContact OH-ND1 3.22Å; H92-Y94 VanDerWaalsContact C-N 3.33Å; H92-Y94 PolarHBondContact O-N 3.39Å; H92-Y95 PolarHBondContact O-N 2.96Å; H92-T96 PolarHBondContact O-N 2.88Å; H92-T96 PolarHBondContact O-OG1 3.41Å
93S59.9Low63.4Low56 Ų5678.3 Ų78.339%0.39245%0.449SS..Hα-helixtrans-67-29.1-176590000114.1E25 G91 Q97E25-S93 WeakPolarHBondContact OE1-CA 3.29Å; E25-S93 VanDerWaalsContact OE2-CB 3.25Å; E25-S93 WeakPolarHBondContact OE2-CB 3.27Å; G91-S93 PolarHBondContact O-N 2.8Å; G91-S93 VanDerWaalsContact O-N 3.13Å; S93-Q97 WeakPolarHBondContact O-CB 3.47Å; S93-Q97 VanDerWaalsContact O-CG 3.32Å; S93-Q97 WeakPolarHBondContact O-CG 3.45Å; S93-Q97 PolarHBondContact O-NE2 3.29Å
94Y56.9Low61.7Low141 Ų14179.5 Ų79.555%0.55347%0.467SS*.Hα-helixtrans-95.4-30.5178.1-172.8-70.6000111.7V90 G91 H92 T96 Q97 Q98V90-Y94 VanDerWaalsContact CG1-CB 3.44Å; V90-Y94 HydrophobicContact CG1-CD1 3.09Å; V90-Y94 HydrophobicContact CG1-CE1 4.02Å; V90-Y94 HydrophobicContact CG1-CG 3.55Å; G91-Y94 PolarHBondContact O-N 3.05Å; G91-Y94 VanDerWaalsContact O-N 3.13Å; H92-Y94 VanDerWaalsContact C-N 3.33Å; H92-Y94 PolarHBondContact O-N 3.39Å; Y94-T96 VanDerWaalsContact C-N 3.3Å; Y94-T96 PolarHBondContact O-N 3.16Å; Y94-Q97 PolarHBondContact O-N 3.44Å; Y94-Q98 PolarHBondContact O-N 2.99Å
95Y60.1Low59.7Low54 Ų5482.9 Ų82.921%0.21249%0.493CS..Hα-helixtrans-60.5-40.2176-168-94000111.9Y28 V77 Y87 G91 H92Y28-Y95 HydrophobicContact CE2-CD1 4.12Å; Y28-Y95 HydrophobicContact CE2-CE1 4.22Å; V77-Y95 HydrophobicContact CG1-CE1 4.09Å; V77-Y95 HydrophobicContact CG1-CE2 4.48Å; V77-Y95 HydrophobicContact CG2-CE1 3.58Å; Y87-Y95 HydrophobicContact CD2-CD1 4.15Å; Y87-Y95 HydrophobicContact CD2-CD2 4.48Å; Y87-Y95 AromaticContact CD2-CG 3.98Å; Y87-Y95 HydrophobicContact CD2-CG 3.98Å; G91-Y95 PolarHBondContact O-N 2.69Å; G91-Y95 VanDerWaalsContact O-N 3.1Å; H92-Y95 PolarHBondContact O-N 2.96Å
96T59Low58Low78 Ų7883.1 Ų83.148%0.47951%0.505SS..THydrogen-bonded Turntrans-78.5-23.7178.8-50.60000113.1H92 Y94H92-T96 PolarHBondContact O-N 2.88Å; H92-T96 PolarHBondContact O-OG1 3.41Å; Y94-T96 VanDerWaalsContact C-N 3.3Å; Y94-T96 PolarHBondContact O-N 3.16Å
97Q54.9Low56.6Low141 Ų14182.6 Ų82.666%0.65950%0.502SS*.THydrogen-bonded Turntrans-89.8-4.9-173.3-83.2-174.287.500115.1S93 Y94 P99S93-Q97 WeakPolarHBondContact O-CB 3.47Å; S93-Q97 VanDerWaalsContact O-CG 3.32Å; S93-Q97 WeakPolarHBondContact O-CG 3.45Å; S93-Q97 PolarHBondContact O-NE2 3.29Å; Y94-Q97 PolarHBondContact O-N 3.44Å; Q97-P99 WeakPolarHBondContact O-CD 3.47Å
98Q46.6Very low55.6Low103 Ų10385.6 Ų85.648%0.48152%0.518SS..  trans-81.5104.4-179.1-165.7168.8-2.300111.4Y94 G100Y94-Q98 PolarHBondContact O-N 2.99Å; Q98-G100 PolarHBondContact O-N 2.79Å; Q98-G100 VanDerWaalsContact O-N 3.07Å
99P41.9Very low54.5Low134 Ų13483.3 Ų83.387%0.8750%0.504SS*.THydrogen-bonded Turntrans-82.293.4174.67.116.2000106.3Q97Q97-P99 WeakPolarHBondContact O-CD 3.47Å
100G45.8Very low53.8Low82 Ų8283.5 Ų83.585%0.84550%0.498SS*.THydrogen-bonded Turntrans117.820.3170.300000117.9Q98Q98-G100 PolarHBondContact O-N 2.79Å; Q98-G100 VanDerWaalsContact O-N 3.07Å
101G40.6Very low53.7Low29 Ų2983.7 Ų83.730%0.29950%0.502SS..SBendtrans-118.195.7169.300000110.9G103G101-G103 PolarHBondContact O-N 3.4Å
102N43.2Very low53.7Low164 Ų16484 Ų8488%0.87750%0.495SS*.SBendtrans49.212.2173.7-79.232.4000118.7A104N102-A104 PolarHBondContact O-N 3.15Å
103G38.7Very low54Low57 Ų5783.2 Ų83.259%0.58849%0.492SS*.  trans-71.1121-17900000112.4G101G101-G103 PolarHBondContact O-N 3.4Å
104A49.8Very low54.4Low70 Ų7089.5 Ų89.558%0.57951%0.507SS*.  trans49.989.316900000114.8N102 D106N102-A104 PolarHBondContact O-N 3.15Å; A104-D106 PolarHBondContact O-N 3.11Å
105P44.5Very low55Low101 Ų10188 Ų8866%0.65651%0.509SS*.SBendtrans-63.1100.4159.528.2-27.8000105.7F107P105-F107 VanDerWaalsContact C-N 3.35Å; P105-F107 PolarHBondContact O-N 3.44Å
106D48.7Very low55.3Low155 Ų15586.4 Ų86.483%0.82950%0.503SS*.  trans18.976168.2-152.215.6000110.7A104 D108A104-D106 PolarHBondContact O-N 3.11Å; D106-D108 PolarHBondContact O-N 3.13Å
107F52.4Low55.7Low66 Ų6684.9 Ų84.929%0.28949%0.491SS..  trans-62.489.6-171.9176.8-93.6000107.2A72 P105 F109 F112A72-F107 HydrophobicContact CB-CE1 3.75Å; A72-F107 HydrophobicContact CB-CE2 3.61Å; A72-F107 HydrophobicContact CB-CZ 3.1Å; P105-F107 VanDerWaalsContact C-N 3.35Å; P105-F107 PolarHBondContact O-N 3.44Å; F107-F109 HydrophobicContact CE1-CB 4.27Å; F107-F109 PolarHBondContact O-N 2.9Å; F107-F112 HydrophobicContact CE1-CB 4.49Å; F107-F112 HydrophobicContact CE2-CB 3.93Å; F107-F112 HydrophobicContact CE2-CD1 4.22Å; F107-F112 AromaticContact CE2-CD2 3.81Å; F107-F112 HydrophobicContact CE2-CD2 3.81Å; F107-F112 HydrophobicContact CE2-CE2 4.27Å; F107-F112 AromaticContact CE2-CG 3.75Å; F107-F112 HydrophobicContact CE2-CG 3.75Å; F107-F112 HydrophobicContact CZ-CB 3.62Å; F107-F112 AromaticContact CZ-CD1 3.61Å; F107-F112 HydrophobicContact CZ-CD1 3.61Å; F107-F112 HydrophobicContact CZ-CD2 4.05Å; F107-F112 HydrophobicContact CZ-CE1 4.1Å; F107-F112 AromaticContact CZ-CG 3.51Å; F107-F112 HydrophobicContact CZ-CG 3.51Å
108D62Low55.9Low69 Ų6983.2 Ų83.237%0.36949%0.485SS..  trans-78.691.6-178.5178.215000105.4D106 N110 S111 F112D106-D108 PolarHBondContact O-N 3.13Å; D108-N110 PolarHBondContact O-N 3.11Å; D108-N110 VanDerWaalsContact OD1-CB 3.27Å; D108-N110 WeakPolarHBondContact OD1-CB 3.24Å; D108-N110 PolarHBondContact OD1-N 3.4Å; D108-N110 PolarHBondContact OD1-ND2 3.39Å; D108-S111 WeakPolarHBondContact O-CA 3.44Å; D108-S111 WeakPolarHBondContact O-CB 3.1Å; D108-S111 PolarHBondContact O-N 2.95Å; D108-S111 WeakPolarHBondContact OD2-CB 3.38Å; D108-S111 PolarHBondContact OD2-N 2.71Å; D108-S111 PolarHBondContact OD2-OG 3.29Å; D108-F112 PolarHBondContact O-N 2.97Å
109F60.3Low56.6Low37 Ų3783 Ų8316%0.16248%0.483CS..Hα-helixtrans-37.5-47.5169.8-178.2-88.7000109.2P56 Q65 F68 V69 F107 S111 F112 F113P56-F109 HydrophobicContact CG-CE1 4.19Å; P56-F109 HydrophobicContact CG-CZ 4.12Å; Q65-F109 HydrophobicContact CG-CE2 4.15Å; Q65-F109 HydrophobicContact CG-CZ 4.34Å; F68-F109 HydrophobicContact CB-CE2 4.33Å; F68-F109 AromaticContact CD1-CD2 3.67Å; F68-F109 HydrophobicContact CD1-CD2 3.67Å; F68-F109 AromaticContact CD1-CE2 3.31Å; F68-F109 HydrophobicContact CD1-CE2 3.31Å; F68-F109 HydrophobicContact CD1-CZ 4.22Å; F68-F109 AromaticContact CE1-CD2 3.97Å; F68-F109 HydrophobicContact CE1-CD2 3.97Å; F68-F109 AromaticContact CE1-CE2 3.91Å; F68-F109 HydrophobicContact CE1-CE2 3.91Å; F68-F109 HydrophobicContact CG-CE2 4.04Å; V69-F109 HydrophobicContact CG2-CD2 4.22Å; V69-F109 HydrophobicContact CG2-CE2 4.46Å; F107-F109 HydrophobicContact CE1-CB 4.27Å; F107-F109 PolarHBondContact O-N 2.9Å; F109-S111 PolarHBondContact O-N 3.08Å; F109-F112 PolarHBondContact O-N 3.1Å; F109-F113 AromaticContact CD1-CD2 3.3Å; F109-F113 HydrophobicContact CD1-CD2 3.3Å; F109-F113 AromaticContact CD1-CE2 3.31Å; F109-F113 HydrophobicContact CD1-CE2 3.31Å; F109-F113 HydrophobicContact CD1-CZ 4.46Å; F109-F113 HydrophobicContact CD2-CD2 4.14Å; F109-F113 AromaticContact CD2-CE2 3.43Å; F109-F113 HydrophobicContact CD2-CE2 3.43Å; F109-F113 VanDerWaalsContact CD2-CE2 3.43Å; F109-F113 HydrophobicContact CD2-CZ 4.38Å; F109-F113 AromaticContact CE1-CD2 3.3Å; F109-F113 HydrophobicContact CE1-CD2 3.3Å; F109-F113 AromaticContact CE1-CE2 3.01Å; F109-F113 HydrophobicContact CE1-CE2 3.01Å; F109-F113 HydrophobicContact CE1-CG 4.42Å; F109-F113 AromaticContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CE2-CD2 4.17Å; F109-F113 AromaticContact CE2-CE2 3.17Å; F109-F113 HydrophobicContact CE2-CE2 3.17Å; F109-F113 AromaticContact CE2-CZ 3.73Å; F109-F113 HydrophobicContact CE2-CZ 3.73Å; F109-F113 AromaticContact CG-CD2 3.73Å; F109-F113 HydrophobicContact CG-CD2 3.73Å; F109-F113 AromaticContact CG-CE2 3.5Å; F109-F113 HydrophobicContact CG-CE2 3.5Å; F109-F113 AromaticContact CZ-CD2 3.76Å; F109-F113 HydrophobicContact CZ-CD2 3.76Å; F109-F113 AromaticContact CZ-CE2 2.93Å; F109-F113 HydrophobicContact CZ-CE2 2.93Å; F109-F113 AromaticContact CZ-CZ 3.39Å; F109-F113 HydrophobicContact CZ-CZ 3.39Å; F109-F113 WeakPolarHBondContact O-CD2 3.37Å; F109-F113 PolarHBondContact O-N 3.16Å
110N65.2Low57.6Low98 Ų9880.9 Ų80.952%0.52446%0.457SS..Hα-helixtrans-65.4-41.1-178.9-59.9-52.5000113.4D108 F112 F113 R114D108-N110 PolarHBondContact O-N 3.11Å; D108-N110 VanDerWaalsContact OD1-CB 3.27Å; D108-N110 WeakPolarHBondContact OD1-CB 3.24Å; D108-N110 PolarHBondContact OD1-N 3.4Å; D108-N110 PolarHBondContact OD1-ND2 3.39Å; N110-F112 VanDerWaalsContact C-N 3.32Å; N110-F113 PolarHBondContact O-N 2.97Å; N110-R114 WeakPolarHBondContact O-CB 3.24Å; N110-R114 WeakPolarHBondContact O-CG 3.28Å; N110-R114 PolarHBondContact O-N 3.06Å
111S68.4Low58.2Low65 Ų6583.5 Ų83.546%0.45545%0.448SS..Hα-helixtrans-65.1-38.9174.9-71.90000111.6D108 F109 R114 N115D108-S111 WeakPolarHBondContact O-CA 3.44Å; D108-S111 WeakPolarHBondContact O-CB 3.1Å; D108-S111 PolarHBondContact O-N 2.95Å; D108-S111 WeakPolarHBondContact OD2-CB 3.38Å; D108-S111 PolarHBondContact OD2-N 2.71Å; D108-S111 PolarHBondContact OD2-OG 3.29Å; F109-S111 PolarHBondContact O-N 3.08Å; S111-R114 PolarHBondContact O-N 3.31Å; S111-N115 WeakPolarHBondContact O-CB 3.34Å; S111-N115 PolarHBondContact O-N 2.74Å
112F66.6Low58.9Low34 Ų3489.5 Ų89.515%0.14947%0.468CS..Hα-helixtrans-67.8-43.5176.4-172.2-104.3000112.4F47 F68 A72 Y75 F107 D108 F109 N110 N115 F116F47-F112 HydrophobicContact CD2-CZ 4.28Å; F47-F112 HydrophobicContact CE1-CE1 4.07Å; F47-F112 AromaticContact CE1-CZ 3.66Å; F47-F112 HydrophobicContact CE1-CZ 3.66Å; F47-F112 AromaticContact CE2-CE1 3.42Å; F47-F112 HydrophobicContact CE2-CE1 3.42Å; F47-F112 VanDerWaalsContact CE2-CE1 3.42Å; F47-F112 AromaticContact CE2-CZ 3.33Å; F47-F112 HydrophobicContact CE2-CZ 3.33Å; F47-F112 HydrophobicContact CZ-CD1 4.31Å; F47-F112 AromaticContact CZ-CE1 3.07Å; F47-F112 HydrophobicContact CZ-CE1 3.07Å; F47-F112 HydrophobicContact CZ-CE2 4.22Å; F47-F112 AromaticContact CZ-CZ 3.01Å; F47-F112 HydrophobicContact CZ-CZ 3.01Å; F68-F112 AromaticContact CE1-CD1 3.76Å; F68-F112 HydrophobicContact CE1-CD1 3.76Å; F68-F112 AromaticContact CE1-CE1 3.95Å; F68-F112 HydrophobicContact CE1-CE1 3.95Å; F68-F112 AromaticContact CZ-CD1 3.61Å; F68-F112 HydrophobicContact CZ-CD1 3.61Å; F68-F112 AromaticContact CZ-CE1 3.58Å; F68-F112 HydrophobicContact CZ-CE1 3.58Å; A72-F112 HydrophobicContact CB-CD1 4.12Å; A72-F112 HydrophobicContact CB-CE1 3.56Å; A72-F112 HydrophobicContact CB-CZ 3.88Å; Y75-F112 AromaticContact CD1-CE2 3.88Å; Y75-F112 HydrophobicContact CD1-CE2 3.88Å; Y75-F112 AromaticContact CD1-CZ 3.95Å; Y75-F112 HydrophobicContact CD1-CZ 3.95Å; Y75-F112 HydrophobicContact CE1-CE2 4.19Å; F107-F112 HydrophobicContact CE1-CB 4.49Å; F107-F112 HydrophobicContact CE2-CB 3.93Å; F107-F112 HydrophobicContact CE2-CD1 4.22Å; F107-F112 AromaticContact CE2-CD2 3.81Å; F107-F112 HydrophobicContact CE2-CD2 3.81Å; F107-F112 HydrophobicContact CE2-CE2 4.27Å; F107-F112 AromaticContact CE2-CG 3.75Å; F107-F112 HydrophobicContact CE2-CG 3.75Å; F107-F112 HydrophobicContact CZ-CB 3.62Å; F107-F112 AromaticContact CZ-CD1 3.61Å; F107-F112 HydrophobicContact CZ-CD1 3.61Å; F107-F112 HydrophobicContact CZ-CD2 4.05Å; F107-F112 HydrophobicContact CZ-CE1 4.1Å; F107-F112 AromaticContact CZ-CG 3.51Å; F107-F112 HydrophobicContact CZ-CG 3.51Å; D108-F112 PolarHBondContact O-N 2.97Å; F109-F112 PolarHBondContact O-N 3.1Å; N110-F112 VanDerWaalsContact C-N 3.32Å; F112-N115 PolarHBondContact O-N 2.85Å; F112-F116 WeakPolarHBondContact O-CB 3.32Å; F112-F116 PolarHBondContact O-N 3.23Å
113F67.8Low59.3Low13 Ų1387.2 Ų87.26%0.05745%0.447CS..Hα-helixtrans-61.4-43171.2-84-74.5000111.8H55 P56 F68 F109 N110 N115 F116 D117H55-F113 AromaticContact CD2-CD1 3.53Å; H55-F113 AromaticContact CD2-CE1 3.32Å; H55-F113 WeakPolarHBondContact CD2-CE1 3.45Å; H55-F113 AromaticContact NE2-CD1 3.32Å; H55-F113 VanDerWaalsContact NE2-CD1 3.32Å; H55-F113 WeakPolarHBondContact NE2-CD1 3.26Å; H55-F113 AromaticContact NE2-CE1 3.6Å; P56-F113 VanDerWaalsContact CD-CZ 3.44Å; P56-F113 HydrophobicContact CG-CE1 4.13Å; P56-F113 HydrophobicContact CG-CZ 4.09Å; F68-F113 AromaticContact CD1-CE2 3.55Å; F68-F113 HydrophobicContact CD1-CE2 3.55Å; F68-F113 AromaticContact CD1-CZ 3.47Å; F68-F113 HydrophobicContact CD1-CZ 3.47Å; F68-F113 VanDerWaalsContact CD1-CZ 3.47Å; F68-F113 HydrophobicContact CD2-CE1 4.2Å; F68-F113 HydrophobicContact CD2-CE2 4.49Å; F68-F113 AromaticContact CD2-CZ 3.61Å; F68-F113 HydrophobicContact CD2-CZ 3.61Å; F68-F113 HydrophobicContact CE1-CD2 4.1Å; F68-F113 HydrophobicContact CE1-CE1 4.09Å; F68-F113 AromaticContact CE1-CE2 3.06Å; F68-F113 HydrophobicContact CE1-CE2 3.06Å; F68-F113 AromaticContact CE1-CZ 3.14Å; F68-F113 HydrophobicContact CE1-CZ 3.14Å; F68-F113 AromaticContact CE2-CE1 3.58Å; F68-F113 HydrophobicContact CE2-CE1 3.58Å; F68-F113 HydrophobicContact CE2-CE2 4.08Å; F68-F113 AromaticContact CE2-CZ 3.27Å; F68-F113 HydrophobicContact CE2-CZ 3.27Å; F68-F113 HydrophobicContact CG-CE2 4.25Å; F68-F113 AromaticContact CG-CZ 3.69Å; F68-F113 HydrophobicContact CG-CZ 3.69Å; F68-F113 HydrophobicContact CZ-CD1 4.25Å; F68-F113 HydrophobicContact CZ-CD2 4.25Å; F68-F113 AromaticContact CZ-CE1 3.51Å; F68-F113 HydrophobicContact CZ-CE1 3.51Å; F68-F113 AromaticContact CZ-CE2 3.36Å; F68-F113 HydrophobicContact CZ-CE2 3.36Å; F68-F113 AromaticContact CZ-CZ 3.01Å; F68-F113 HydrophobicContact CZ-CZ 3.01Å; F109-F113 AromaticContact CD1-CD2 3.3Å; F109-F113 HydrophobicContact CD1-CD2 3.3Å; F109-F113 AromaticContact CD1-CE2 3.31Å; F109-F113 HydrophobicContact CD1-CE2 3.31Å; F109-F113 HydrophobicContact CD1-CZ 4.46Å; F109-F113 HydrophobicContact CD2-CD2 4.14Å; F109-F113 AromaticContact CD2-CE2 3.43Å; F109-F113 HydrophobicContact CD2-CE2 3.43Å; F109-F113 VanDerWaalsContact CD2-CE2 3.43Å; F109-F113 HydrophobicContact CD2-CZ 4.38Å; F109-F113 AromaticContact CE1-CD2 3.3Å; F109-F113 HydrophobicContact CE1-CD2 3.3Å; F109-F113 AromaticContact CE1-CE2 3.01Å; F109-F113 HydrophobicContact CE1-CE2 3.01Å; F109-F113 HydrophobicContact CE1-CG 4.42Å; F109-F113 AromaticContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CE2-CD2 4.17Å; F109-F113 AromaticContact CE2-CE2 3.17Å; F109-F113 HydrophobicContact CE2-CE2 3.17Å; F109-F113 AromaticContact CE2-CZ 3.73Å; F109-F113 HydrophobicContact CE2-CZ 3.73Å; F109-F113 AromaticContact CG-CD2 3.73Å; F109-F113 HydrophobicContact CG-CD2 3.73Å; F109-F113 AromaticContact CG-CE2 3.5Å; F109-F113 HydrophobicContact CG-CE2 3.5Å; F109-F113 AromaticContact CZ-CD2 3.76Å; F109-F113 HydrophobicContact CZ-CD2 3.76Å; F109-F113 AromaticContact CZ-CE2 2.93Å; F109-F113 HydrophobicContact CZ-CE2 2.93Å; F109-F113 AromaticContact CZ-CZ 3.39Å; F109-F113 HydrophobicContact CZ-CZ 3.39Å; F109-F113 WeakPolarHBondContact O-CD2 3.37Å; F109-F113 PolarHBondContact O-N 3.16Å; N110-F113 PolarHBondContact O-N 2.97Å; F113-N115 VanDerWaalsContact C-N 3.32Å; F113-N115 PolarHBondContact O-N 3.41Å; F113-F116 CarbonylContact O-C 3.6Å; F113-F116 WeakPolarHBondContact O-CB 3.36Å; F113-F116 PolarHBondContact O-N 2.79Å; F113-D117 WeakPolarHBondContact O-CB 3.44Å; F113-D117 PolarHBondContact O-N 2.81Å
114R69.9Low59.7Low188 Ų18891.4 Ų91.471%0.70945%0.451SS*.Hα-helixtrans-61.9-40.8177-76.1171-173.5-138.94.5111.9N110 S111 F116 M118N110-R114 WeakPolarHBondContact O-CB 3.24Å; N110-R114 WeakPolarHBondContact O-CG 3.28Å; N110-R114 PolarHBondContact O-N 3.06Å; S111-R114 PolarHBondContact O-N 3.31Å; R114-F116 VanDerWaalsContact C-N 3.34Å; R114-M118 WeakPolarHBondContact O-CB 3.41Å; R114-M118 PolarHBondContact O-N 2.91Å
115N68.5Low59.6Low111 Ų11193.2 Ų93.259%0.59446%0.459SS*.Hα-helixtrans-66.8-38.9175.9-169.662000111.3S111 F112 F113 M118 F119S111-N115 WeakPolarHBondContact O-CB 3.34Å; S111-N115 PolarHBondContact O-N 2.74Å; F112-N115 PolarHBondContact O-N 2.85Å; F113-N115 VanDerWaalsContact C-N 3.32Å; F113-N115 PolarHBondContact O-N 3.41Å; N115-M118 PolarHBondContact O-N 2.98Å; N115-F119 WeakPolarHBondContact O-CB 3.25Å; N115-F119 PolarHBondContact O-N 3.16Å
116F66.9Low59.9Low19 Ų1996.2 Ų96.28%0.08347%0.469CS..Hα-helixtrans-66.5-43.4174.9-175.6-97.3000112.7F47 R48 A51 L52 F112 F113 R114 F119 R120F47-F116 HydrophobicContact CE1-CD2 4.02Å; F47-F116 HydrophobicContact CE1-CE2 4.3Å; F47-F116 HydrophobicContact CZ-CD2 4.44Å; R48-F116 HydrophobicContact CG-CE2 4.33Å; A51-F116 HydrophobicContact CB-CD2 4.32Å; A51-F116 HydrophobicContact CB-CE1 4.44Å; A51-F116 HydrophobicContact CB-CE2 3.83Å; A51-F116 HydrophobicContact CB-CZ 3.91Å; L52-F116 HydrophobicContact CD2-CE1 3.85Å; L52-F116 HydrophobicContact CD2-CZ 3.79Å; L52-F116 HydrophobicContact CG-CE1 4.41Å; L52-F116 HydrophobicContact CG-CZ 3.9Å; F112-F116 WeakPolarHBondContact O-CB 3.32Å; F112-F116 PolarHBondContact O-N 3.23Å; F113-F116 CarbonylContact O-C 3.6Å; F113-F116 WeakPolarHBondContact O-CB 3.36Å; F113-F116 PolarHBondContact O-N 2.79Å; R114-F116 VanDerWaalsContact C-N 3.34Å; F116-F119 WeakPolarHBondContact O-CB 3.23Å; F116-F119 PolarHBondContact O-N 2.87Å; F116-R120 WeakPolarHBondContact O-CB 3.43Å; F116-R120 PolarHBondContact O-N 2.8Å
117D66.2Low59.8Low46 Ų4695.9 Ų95.925%0.24647%0.468CS..Hα-helixtrans-69.9-35.4175.6-86.3-37.4000111.5F113 F119 R120 Q121F113-D117 WeakPolarHBondContact O-CB 3.44Å; F113-D117 PolarHBondContact O-N 2.81Å; D117-F119 VanDerWaalsContact C-N 3.34Å; D117-R120 CarbonylContact O-C 3.6Å; D117-R120 WeakPolarHBondContact O-CB 3.5Å; D117-R120 PolarHBondContact O-N 2.86Å; D117-Q121 VanDerWaalsContact O-CB 3.32Å; D117-Q121 WeakPolarHBondContact O-CB 3.49Å; D117-Q121 WeakPolarHBondContact O-CG 3.37Å; D117-Q121 PolarHBondContact O-N 3.14Å
118M59.5Low59.3Low107 Ų107101.4 Ų101.453%0.52749%0.494SS..Hα-helixtrans-63.8-42.4171.8-176.6-170.1-90.800110.3R114 N115 R120 Q121 H122R114-M118 WeakPolarHBondContact O-CB 3.41Å; R114-M118 PolarHBondContact O-N 2.91Å; N115-M118 PolarHBondContact O-N 2.98Å; M118-R120 VanDerWaalsContact C-N 3.26Å; M118-R120 PolarHBondContact O-N 3.07Å; M118-Q121 PolarHBondContact O-N 2.7Å; M118-H122 PolarHBondContact O-N 2.92Å; M118-H122 PolarHBondContact O-ND1 3.13Å
119F61.8Low58.3Low98 Ų98101.9 Ų101.943%0.4352%0.515SS..Hα-helixtrans-61.7-36.1173.2-174.2-93.5000111.7N115 F116 D117N115-F119 WeakPolarHBondContact O-CB 3.25Å; N115-F119 PolarHBondContact O-N 3.16Å; F116-F119 WeakPolarHBondContact O-CB 3.23Å; F116-F119 PolarHBondContact O-N 2.87Å; D117-F119 VanDerWaalsContact C-N 3.34Å
120R63.3Low57.2Low89 Ų89104.2 Ų104.234%0.33654%0.536SS..Hα-helixtrans-69.5-38.8173.5-165.9-179.7-170.5-178.5-1.8112.6F116 D117 M118 R123 H124F116-R120 WeakPolarHBondContact O-CB 3.43Å; F116-R120 PolarHBondContact O-N 2.8Å; D117-R120 CarbonylContact O-C 3.6Å; D117-R120 WeakPolarHBondContact O-CB 3.5Å; D117-R120 PolarHBondContact O-N 2.86Å; M118-R120 VanDerWaalsContact C-N 3.26Å; M118-R120 PolarHBondContact O-N 3.07Å; R120-R123 PolarHBondContact O-N 3.17Å; R120-H124 PolarHBondContact O-CD2 3.08Å
121Q59Low56Low138 Ų138109 Ų10965%0.64555%0.553SS**Hα-helixtrans-74.5-29.6-177.6-76172.138.600112.5D117 M118 R123 H124D117-Q121 VanDerWaalsContact O-CB 3.32Å; D117-Q121 WeakPolarHBondContact O-CB 3.49Å; D117-Q121 WeakPolarHBondContact O-CG 3.37Å; D117-Q121 PolarHBondContact O-N 3.14Å; M118-Q121 PolarHBondContact O-N 2.7Å; Q121-R123 PolarHBondContact O-N 2.87Å; Q121-H124 PolarHBondContact O-N 3.21Å
122H54.2Low54.7Low155 Ų155113 Ų11372%0.71856%0.562SS**THydrogen-bonded Turntrans-72.1-1.5175-78.979.1000114.5M118M118-H122 PolarHBondContact O-N 2.92Å; M118-H122 PolarHBondContact O-ND1 3.13Å
123R52.5Low53.6Low116 Ų116116.7 Ų116.744%0.43858%0.583SS.*THydrogen-bonded Turntrans-106.79.2174.8-74.7-170.1166.6179.2-7114.1R120 Q121R120-R123 PolarHBondContact O-N 3.17Å; Q121-R123 PolarHBondContact O-N 2.87Å
124H47.1Very low52.9Low145 Ų145122.7 Ų122.767%0.67161%0.61SS**  trans-117.475.4-178.2-83.4-66.6000111.6R120 Q121R120-H124 PolarHBondContact O-CD2 3.08Å; Q121-H124 PolarHBondContact O-N 3.21Å
125S47Very low51.8Low108 Ų108121.6 Ų121.676%0.75561%0.606SS**  trans-151.680.3157.6-66.90000105.5
126D49.5Very low51.1Low163 Ų163118.4 Ų118.487%0.87260%0.599SS**SBendtrans162.4124.3141.6-72.7-30.9000110.6
127D47.3Very low50.3Low148 Ų148120.1 Ų120.179%0.79161%0.609SS**  trans66.7105.7161-89.6-16000123.6
128H41.3Very low49.6Very low182 Ų182121 Ų12184%0.84361%0.611SS**  trans4590.2130.3-73-59.5000120
129G41.2Very low49.3Very low79 Ų79120.1 Ų120.181%0.81461%0.608SS**  8075.911700000118.9
130S38.6Very low48.9Very low87 Ų87120.8 Ų120.861%0.60862%0.616SS**  trans-170.3124.5143.347.40000111.5F132S130-F132 PolarHBondContact O-N 2.83Å
131F39.3Very low48.3Very low198 Ų198123.6 Ų123.687%0.86864%0.638SS**SBendtrans-31.3118.2174.2-68.5-102.4000114.2
132F40Very low47.9Very low149 Ų149124.6 Ų124.665%0.65465%0.647SS**  trans50.371.3170.6-55.7-69.1000116.3S130 F134S130-F132 PolarHBondContact O-N 2.83Å; F132-F134 PolarHBondContact O-N 3.18Å
133N44.5Very low47.8Very low111 Ų111120.6 Ų120.659%0.59465%0.648SS**  trans-76.489.8167.6-136.3-30.7000110.2R135N133-R135 PolarHBondContact O-N 2.82Å; N133-R135 WeakPolarHBondContact OD1-CB 3.35Å
134F53.9Low47.6Very low140 Ų140122.3 Ų122.361%0.61467%0.666SS**SBendtrans-55.9-29.2173.2-177.9-98.9000111.2F132 L137 F138F132-F134 PolarHBondContact O-N 3.18Å; F134-L137 PolarHBondContact O-N 3.29Å; F134-F138 AromaticContact CD1-CD2 3.87Å; F134-F138 HydrophobicContact CD1-CD2 3.87Å; F134-F138 AromaticContact CD1-CE2 3.46Å; F134-F138 HydrophobicContact CD1-CE2 3.46Å; F134-F138 VanDerWaalsContact CD1-CE2 3.46Å; F134-F138 HydrophobicContact CD1-CZ 4.48Å; F134-F138 AromaticContact CD2-CE2 3.54Å; F134-F138 HydrophobicContact CD2-CE2 3.54Å; F134-F138 HydrophobicContact CD2-CZ 4.1Å; F134-F138 AromaticContact CE1-CD2 3.75Å; F134-F138 HydrophobicContact CE1-CD2 3.75Å; F134-F138 AromaticContact CE1-CE2 3.24Å; F134-F138 HydrophobicContact CE1-CE2 3.24Å; F134-F138 AromaticContact CE1-CZ 3.92Å; F134-F138 HydrophobicContact CE1-CZ 3.92Å; F134-F138 AromaticContact CE2-CE2 3.32Å; F134-F138 HydrophobicContact CE2-CE2 3.32Å; F134-F138 AromaticContact CE2-CZ 3.48Å; F134-F138 HydrophobicContact CE2-CZ 3.48Å; F134-F138 VanDerWaalsContact CE2-CZ 3.48Å; F134-F138 HydrophobicContact CG-CD2 4.32Å; F134-F138 AromaticContact CG-CE2 3.62Å; F134-F138 HydrophobicContact CG-CE2 3.62Å; F134-F138 HydrophobicContact CZ-CD2 4.1Å; F134-F138 HydrophobicContact CZ-CE1 4.43Å; F134-F138 AromaticContact CZ-CE2 3.17Å; F134-F138 HydrophobicContact CZ-CE2 3.17Å; F134-F138 AromaticContact CZ-CZ 3.38Å; F134-F138 HydrophobicContact CZ-CZ 3.38Å; F134-F138 WeakPolarHBondContact O-CD2 3.32Å; F134-F138 WeakPolarHBondContact O-CE2 3.44Å
135R47Very low47.6Very low164 Ų164122.4 Ų122.462%0.61967%0.671SS**G310 helixtrans-55.7-57.5-178-160.574.7174.589.6-3.2112.6N133 L137 F138 D139N133-R135 PolarHBondContact O-N 2.82Å; N133-R135 WeakPolarHBondContact OD1-CB 3.35Å; R135-L137 PolarHBondContact O-N 3.31Å; R135-F138 PolarHBondContact O-N 3.44Å; R135-D139 VanDerWaalsContact C-OD2 3.28Å; R135-D139 WeakPolarHBondContact CG-OD2 3.41Å; R135-D139 IonicContact CZ-OD1 3.79Å; R135-D139 IonicContact CZ-OD2 3.7Å; R135-D139 IonicContact NH1-OD1 2.79Å; R135-D139 PolarHBondContact NH1-OD1 3.46Å; R135-D139 IonicContact NH1-OD2 2.85Å; R135-D139 PolarHBondContact NH1-OD2 3.26Å
136G52.7Low47.5Very low44 Ų44124.3 Ų124.345%0.45467%0.673SS.*G310 helixtrans-68.12-176.900000116.5
137L51.2Low47.1Very low55 Ų55120.7 Ų120.729%0.28868%0.675SS.*G310 helixtrans-93.2-11.5173.5-142.6135.1000112.4R48 L52 F134 R135R48-L137 HydrophobicContact CB-CD2 4.44Å; L52-L137 HydrophobicContact CD1-CD1 4.31Å; F134-L137 PolarHBondContact O-N 3.29Å; R135-L137 PolarHBondContact O-N 3.31Å
138F51.2Low47.3Very low66 Ų66122.3 Ų122.329%0.28968%0.675SS.*THydrogen-bonded Turntrans-117-5.9-177.6-57.2-73.2000114.3K49 F134 R135K49-F138 HydrophobicContact CD-CZ 4.38Å; K49-F138 HydrophobicContact CG-CZ 4.27Å; F134-F138 AromaticContact CD1-CD2 3.87Å; F134-F138 HydrophobicContact CD1-CD2 3.87Å; F134-F138 AromaticContact CD1-CE2 3.46Å; F134-F138 HydrophobicContact CD1-CE2 3.46Å; F134-F138 VanDerWaalsContact CD1-CE2 3.46Å; F134-F138 HydrophobicContact CD1-CZ 4.48Å; F134-F138 AromaticContact CD2-CE2 3.54Å; F134-F138 HydrophobicContact CD2-CE2 3.54Å; F134-F138 HydrophobicContact CD2-CZ 4.1Å; F134-F138 AromaticContact CE1-CD2 3.75Å; F134-F138 HydrophobicContact CE1-CD2 3.75Å; F134-F138 AromaticContact CE1-CE2 3.24Å; F134-F138 HydrophobicContact CE1-CE2 3.24Å; F134-F138 AromaticContact CE1-CZ 3.92Å; F134-F138 HydrophobicContact CE1-CZ 3.92Å; F134-F138 AromaticContact CE2-CE2 3.32Å; F134-F138 HydrophobicContact CE2-CE2 3.32Å; F134-F138 AromaticContact CE2-CZ 3.48Å; F134-F138 HydrophobicContact CE2-CZ 3.48Å; F134-F138 VanDerWaalsContact CE2-CZ 3.48Å; F134-F138 HydrophobicContact CG-CD2 4.32Å; F134-F138 AromaticContact CG-CE2 3.62Å; F134-F138 HydrophobicContact CG-CE2 3.62Å; F134-F138 HydrophobicContact CZ-CD2 4.1Å; F134-F138 HydrophobicContact CZ-CE1 4.43Å; F134-F138 AromaticContact CZ-CE2 3.17Å; F134-F138 HydrophobicContact CZ-CE2 3.17Å; F134-F138 AromaticContact CZ-CZ 3.38Å; F134-F138 HydrophobicContact CZ-CZ 3.38Å; F134-F138 WeakPolarHBondContact O-CD2 3.32Å; F134-F138 WeakPolarHBondContact O-CE2 3.44Å; R135-F138 PolarHBondContact O-N 3.44Å
139D51.8Low47.6Very low87 Ų87121.7 Ų121.747%0.46567%0.67SS.*SBendtrans-98.44.8-170.3-75.9-70.6000114.7R135R135-D139 VanDerWaalsContact C-OD2 3.28Å; R135-D139 WeakPolarHBondContact CG-OD2 3.41Å; R135-D139 IonicContact CZ-OD1 3.79Å; R135-D139 IonicContact CZ-OD2 3.7Å; R135-D139 IonicContact NH1-OD1 2.79Å; R135-D139 PolarHBondContact NH1-OD1 3.46Å; R135-D139 IonicContact NH1-OD2 2.85Å; R135-D139 PolarHBondContact NH1-OD2 3.26Å
140D54.9Low48Very low112 Ų112123.5 Ų123.560%0.59967%0.67SS**SBendtrans-121.6132.8174.7-60.2-64.1000111.3
141D50.4Low48.5Very low148 Ų148124.4 Ų124.479%0.79167%0.674SS**SBendtrans97.177.2168.9-120.6-115.4000117.2
142D49.5Very low49.1Very low159 Ų159124.7 Ų124.785%0.8568%0.675SS**  trans29.5106.1135.1-59-49.4000119.1
143G52.1Low49.3Very low71 Ų71120.8 Ų120.873%0.73268%0.677SS**  trans161.7102.2166.200000111.5
144D48.1Very low49.3Very low153 Ų153119.3 Ų119.382%0.81869%0.688SS**  trans-19.7142.5167.4-55.4-73.3000116.7
145D47.3Very low49Very low146 Ų146120.4 Ų120.478%0.78170%0.697SS**  trans128.596151.7-54.5-25.2000115.4
146D46.1Very low48.8Very low149 Ų149122 Ų12280%0.79771%0.709SS**  trans25.7109.5147.743.7-64.9000122.3
147G41.6Very low48.1Very low87 Ų87129 Ų12990%0.89773%0.729SS**  98.216.698.400000121
148F50.8Low47.8Very low182 Ų182131.4 Ų131.480%0.79875%0.751SS**  trans-105.6-13.1-169-169.4-110.1000119.5
149F46.6Very low47.4Very low168 Ų168133 Ų13374%0.73777%0.77SS**  trans-140.875.5-171.8-134-99.4000115.8P151F149-P151 HydrophobicContact CD1-CG 4.11Å; F149-P151 HydrophobicContact CE1-CG 3.9Å
150S49.9Very low47.1Very low117 Ų117135.7 Ų135.782%0.81878%0.784SS**  trans-121.491.7158.6-68.50000110
151P49.6Very low46.6Very low106 Ų106138.2 Ų138.269%0.68879%0.792SS**  trans-91.43.9172.931.7-26.7000113.3F149F149-P151 HydrophobicContact CD1-CG 4.11Å; F149-P151 HydrophobicContact CE1-CG 3.9Å
152F51.6Low46.3Very low205 Ų205136 Ų13690%0.89979%0.789SS**SBendtrans-151.7116.9178-153.9-98.8000110.5
153G45.1Very low46.2Very low67 Ų67137.2 Ų137.269%0.69179%0.789SS**  trans111.851.6157.200000117.7M155G153-M155 PolarHBondContact O-N 2.97Å
154G44.8Very low46.1Very low80 Ų80137 Ų13783%0.82579%0.786SS**  trans-70.4106.8139.900000108.1
155M47.3Very low45.9Very low162 Ų162137.4 Ų137.480%0.79878%0.781SS**  trans-164.19.9171-148.795.2161.100116.9G153G153-M155 PolarHBondContact O-N 2.97Å
156F41.6Very low46.2Very low199 Ų199136.5 Ų136.587%0.87378%0.775SS**  trans-139.689.8173-79.1-81.4000111.5
157H39.6Very low46.3Very low190 Ų190139.4 Ų139.488%0.8878%0.775SS**  trans-100.297.1156-150.294000105
158S43.3Very low46.7Very low106 Ų106143.2 Ų143.274%0.74177%0.769SS**  trans-131.4105.2166.4-103.60000107.6
159S42.6Very low46.6Very low98 Ų98143.4 Ų143.469%0.68577%0.772SS**  trans-23.3123.8144.6-47.40000112.6
160D46.1Very low46.9Very low145 Ų145138.5 Ų138.578%0.77577%0.77SS**  trans176.5101.5142.3-84.7-28.3000106.6
161E44.7Very low47.4Very low164 Ų164142.8 Ų142.877%0.76678%0.777SS**  71102.597-106166.991.400114.3
162S44.5Very low48.3Very low102 Ų102144 Ų14471%0.71377%0.773SS**  trans42.8103.2148.261.40000119.1
163H47.7Very low49.5Very low184 Ų184140.7 Ų140.785%0.85277%0.765SS**  trans-121.679.8154.3-77.2-57.4000111.1F165H163-F165 PolarHBondContact O-N 3.26Å
164G49.3Very low51.2Low66 Ų66141 Ų14168%0.6876%0.755SS**  trans-69.9112.114000000107.1I166G164-I166 PolarHBondContact O-N 3.38Å
165F44.7Very low52.9Low163 Ų163143.3 Ų143.372%0.71575%0.745SS**  trans-77.177.4177.7-168.4-104.5000109.3H163 R167H163-F165 PolarHBondContact O-N 3.26Å; F165-R167 HydrophobicContact CD1-CB 4.45Å; F165-R167 HydrophobicContact CD1-CG 4.28Å; F165-R167 HydrophobicContact CE1-CB 4.08Å; F165-R167 HydrophobicContact CE1-CG 3.46Å; F165-R167 VanDerWaalsContact CE1-CG 3.46Å; F165-R167 HydrophobicContact CZ-CG 3.76Å; F165-R167 PolarHBondContact O-N 3.46Å
166I53.3Low54.7Low127 Ų127139.7 Ų139.765%0.65173%0.732SS**  trans-79.4100165.1-55178.6000106.5G164 H168G164-I166 PolarHBondContact O-N 3.38Å; I166-H168 WeakPolarHBondContact CG2-CD2 3.04Å; I166-H168 PolarHBondContact O-N 3.1Å
167R47Very low56.6Low209 Ų209134.8 Ų134.879%0.78971%0.712SS**  trans-71.381.4166.1-120.5-178.9-169.5-171.83.7108.4F165 Q169F165-R167 HydrophobicContact CD1-CB 4.45Å; F165-R167 HydrophobicContact CD1-CG 4.28Å; F165-R167 HydrophobicContact CE1-CB 4.08Å; F165-R167 HydrophobicContact CE1-CG 3.46Å; F165-R167 VanDerWaalsContact CE1-CG 3.46Å; F165-R167 HydrophobicContact CZ-CG 3.76Å; F165-R167 PolarHBondContact O-N 3.46Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 3.37Å
168H49.9Very low58.8Low168 Ų168130.2 Ų130.278%0.77870%0.697SS**  trans-84.675.8162.5-89.6-63.3000109.3I166I166-H168 WeakPolarHBondContact CG2-CD2 3.04Å; I166-H168 PolarHBondContact O-N 3.1Å
169Q49.2Very low60.6Low185 Ų185128 Ų12886%0.86468%0.676SS**SBendtrans-143.2101.8153.1-76.5-165.1300107.7R167R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 3.37Å
170G53.7Low62.6Low66 Ų66132.3 Ų132.368%0.6868%0.678SS**SBendtrans69.9116174.400000113.5Q172G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 2.78Å
171Q60.5Low64.4Low207 Ų207134 Ų13497%0.96767%0.673SS**  trans-57.196.2166.9-74.6167.7-40.300109
172Q68.2Low66.4Low132 Ų132129.4 Ų129.462%0.61767%0.669SS**  trans-125.8116.4159.9-68-170.811.200108G170 C174 S192G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 2.78Å; Q172-C174 PolarHBondContact O-N 3.23Å; Q172-S192 CarbonylContact C-O 3.53Å; Q172-S192 WeakPolarHBondContact CA-O 3.36Å; Q172-S192 VanDerWaalsContact CB-O 3.3Å; Q172-S192 WeakPolarHBondContact CB-O 3.49Å
173N76Confident68.4Low135 Ų135132.3 Ų132.372%0.72268%0.677SS**  trans-80.3104.9179.2-99.5-5.3000107.7S192N173-S192 PolarHBondContact N-O 3.42Å; N173-S192 PolarHBondContact O-N 2.96Å; N173-S192 PolarHBondContact O-OG 3.13Å
174C81.8Confident69.8Low72 Ų72127.7 Ų127.749%0.48666%0.662SS.*EExtended strand (participates in β ladder)trans-92.7124.6174.8-57.90000111.3Q172 T189 R190 C191Q172-C174 PolarHBondContact O-N 3.23Å; C174-T189 HydrophobicContact CB-CG2 4.24Å; C174-R190 CarbonylContact C-O 3.39Å; C174-R190 VanDerWaalsContact CA-O 3.3Å; C174-R190 WeakPolarHBondContact CA-O 3.26Å; C174-C191 HydrophobicContact CB-CB 4.07Å; C174-C191 WeakPolarHBondContact CB-SG 3.16Å; C174-C191 WeakPolarHBondContact SG-CB 3.5Å; C174-C191 CovalentContact SG-SG 2.03Å; C174-C191 PolarHBondContact SG-SG 3.07Å
175Q79.9Confident71.5Confident130 Ų130129.7 Ų129.761%0.60766%0.656SS**EExtended strand (participates in β ladder)trans-111.9126.8168.3-83.3-173.6200110.4R190Q175-R190 PolarHBondContact N-O 3.29Å; Q175-R190 PolarHBondContact O-N 2.93Å
176T85.2Confident73.3Confident86 Ų86124.8 Ų124.853%0.52864%0.636SS.*EExtended strand (participates in β ladder)trans-91120170.1-49.70000109.3T187 Q188 T189T176-T187 HydrophobicContact CG2-CG2 3.39Å; T176-Q188 CarbonylContact C-O 3.57Å; T176-Q188 WeakPolarHBondContact CA-O 3.28Å; T176-T189 PolarHBondContact OG1-OG1 2.96Å
177Q81.1Confident74.8Confident96 Ų96122.9 Ų122.945%0.44963%0.631SS.*EExtended strand (participates in β ladder)trans-117.4127.8175.1-71.7-172.216.300110.7I179 Q188Q177-I179 HydrophobicContact CB-CG1 4.49Å; Q177-Q188 PolarHBondContact N-O 2.81Å; Q177-Q188 PolarHBondContact O-N 3.46Å
178T86.5Confident76.5Confident94 Ų94116.2 Ų116.258%0.57761%0.609SS**EExtended strand (participates in β ladder)trans-92.5113.4173.2-530000109.3I185T178-I185 HydrophobicContact CG2-CG2 3.26Å
179I81.9Confident78.1Confident59 Ų59112.4 Ų112.430%0.30360%0.597SS.*EExtended strand (participates in β ladder)trans-112.8128.9-176.4-52.5173000109Q177 I186Q177-I179 HydrophobicContact CB-CG1 4.49Å; I179-I186 PolarHBondContact N-O 3.48Å; I179-I186 PolarHBondContact O-N 2.96Å
180R84.8Confident79.6Confident189 Ų189111.2 Ų111.271%0.71359%0.585SS**EExtended strand (participates in β ladder)trans-82.2119.2168.6-125.8-171177.4-177.5-2109.5I185R180-I185 HydrophobicContact CG-CG1 4.02Å
181R83.4Confident80.9Confident181 Ų181111.3 Ų111.368%0.68357%0.574SS**EExtended strand (participates in β ladder)trans-114.8102.6167.5-81.3-162.1171.7-178.6-1.4109.1N183 T184 I186R181-N183 PolarHBondContact O-N 3.45Å; R181-T184 PolarHBondContact N-O 3.42Å; R181-T184 PolarHBondContact O-N 2.83Å; R181-I186 HydrophobicContact CB-CD1 4.22Å; R181-I186 HydrophobicContact CG-CD1 4.44Å
182G85.5Confident81.6Confident66 Ų66107.8 Ų107.868%0.6857%0.572SS**THydrogen-bonded Turntrans62.4-127.1-173.500000111.1T184G182-T184 VanDerWaalsContact C-N 3.33Å
183N86.7Confident82.3Confident164 Ų164106.6 Ų106.688%0.87757%0.57SS**THydrogen-bonded Turntrans-861.6174.5-83.712.1000113.9R181R181-N183 PolarHBondContact O-N 3.45Å
184T77Confident82.6Confident86 Ų86105.1 Ų105.153%0.52856%0.562SS.*EExtended strand (participates in β ladder)trans-103.7131.7-179-51.20000110.9R181 G182 I186R181-T184 PolarHBondContact N-O 3.42Å; R181-T184 PolarHBondContact O-N 2.83Å; G182-T184 VanDerWaalsContact C-N 3.33Å; T184-I186 HydrophobicContact CG2-CG1 3.94Å
185I84.8Confident82.6Confident108 Ų108106.9 Ų106.955%0.55457%0.566SS**EExtended strand (participates in β ladder)trans-94.5121.5170.1-56.3-175.5000107.4T178 R180T178-I185 HydrophobicContact CG2-CG2 3.26Å; R180-I185 HydrophobicContact CG-CG1 4.02Å
186I82.7Confident82.8Confident60 Ų60105.5 Ų105.531%0.30856%0.564SS.*EExtended strand (participates in β ladder)trans-117.7120.9179.9-52.9175.1000108I179 R181 T184 Q188I179-I186 PolarHBondContact N-O 3.48Å; I179-I186 PolarHBondContact O-N 2.96Å; R181-I186 HydrophobicContact CB-CD1 4.22Å; R181-I186 HydrophobicContact CG-CD1 4.44Å; T184-I186 HydrophobicContact CG2-CG1 3.94Å; I186-Q188 HydrophobicContact CG2-CG 3.96Å
187T85.9Confident82.6Confident88 Ų88106.8 Ų106.854%0.5457%0.566SS.*EExtended strand (participates in β ladder)trans-93.2114.8173.5-53.60000108.9T176T176-T187 HydrophobicContact CG2-CG2 3.39Å
188Q81.3Confident82.7Confident69 Ų69107.5 Ų107.532%0.32257%0.574SS.*EExtended strand (participates in β ladder)trans-112.1126.1177.9-65.3-170.7-4.100110.1T176 Q177 I186T176-Q188 CarbonylContact C-O 3.57Å; T176-Q188 WeakPolarHBondContact CA-O 3.28Å; Q177-Q188 PolarHBondContact N-O 2.81Å; Q177-Q188 PolarHBondContact O-N 3.46Å; I186-Q188 HydrophobicContact CG2-CG 3.96Å
189T83.7Confident82.5Confident87 Ų87108.4 Ų108.453%0.53457%0.574SS.*EExtended strand (participates in β ladder)trans-96117169.5-51.40000108.8C174 T176C174-T189 HydrophobicContact CB-CG2 4.24Å; T176-T189 PolarHBondContact OG1-OG1 2.96Å
190R80.3Confident82.5Confident160 Ų160112.2 Ų112.260%0.60460%0.595SS**EExtended strand (participates in β ladder)trans-106.1125.1173.5-69.1-171.3-179.31751.7109.3C174 Q175C174-R190 CarbonylContact C-O 3.39Å; C174-R190 VanDerWaalsContact CA-O 3.3Å; C174-R190 WeakPolarHBondContact CA-O 3.26Å; Q175-R190 PolarHBondContact N-O 3.29Å; Q175-R190 PolarHBondContact O-N 2.93Å
191C81.9Confident82.3Confident69 Ų69105.8 Ų105.847%0.46659%0.585SS.*EExtended strand (participates in β ladder)trans-103.8133.9172.2-59.70000109.9C174C174-C191 HydrophobicContact CB-CB 4.07Å; C174-C191 WeakPolarHBondContact CB-SG 3.16Å; C174-C191 WeakPolarHBondContact SG-CB 3.5Å; C174-C191 CovalentContact SG-SG 2.03Å; C174-C191 PolarHBondContact SG-SG 3.07Å
192S74.9Confident82.2Confident132 Ų13299 Ų9992%0.92358%0.576SS**  trans-101.70174.1-430000110.1Q172 N173Q172-S192 CarbonylContact C-O 3.53Å; Q172-S192 WeakPolarHBondContact CA-O 3.36Å; Q172-S192 VanDerWaalsContact CB-O 3.3Å; Q172-S192 WeakPolarHBondContact CB-O 3.49Å; N173-S192 PolarHBondContact N-O 3.42Å; N173-S192 PolarHBondContact O-N 2.96Å; N173-S192 PolarHBondContact O-OG 3.13Å

Retrieved 192 of 192 residues in 504.9 ms (Link to these results)

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