A0A087WU76_HUMAN Loading...

Hydroxysteroid 11-beta dehydrogenase 1

AlphaFold DB , UniProt , Accession A0A087WU76, Species HUMAN (Homo sapiens, Human), Gene HSD11B1, Length 182 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
1M59.7Low74.2Confident217 Ų217125.9 Ų125.9100%1.06963%0.627SS**  0-40.70-97.3169.8176.800114.4
2A66.1Low75.7Confident81 Ų81124 Ų12467%0.66962%0.62SS**Hα-helixtrans-66.8-39-17700000115.1M4 K5 K6A2-M4 PolarHBondContact O-N 3.26Å; A2-K5 PolarHBondContact O-N 3.35Å; A2-K6 VanDerWaalsContact O-CB 3.29Å; A2-K6 WeakPolarHBondContact O-CB 3.43Å; A2-K6 PolarHBondContact O-N 2.96Å
3F65.5Low76.9Confident157 Ų157117.4 Ų117.469%0.68960%0.602SS**Hα-helixtrans-62.5-41.4179.6-172.8-97.7000112.9K5 K6 Y7F3-K5 PolarHBondContact O-N 2.91Å; F3-K6 PolarHBondContact O-N 3.12Å; F3-Y7 AromaticContact CD2-CD2 3.69Å; F3-Y7 HydrophobicContact CD2-CD2 3.69Å; F3-Y7 HydrophobicContact CD2-CE2 4.02Å; F3-Y7 AromaticContact CE2-CD2 3.76Å; F3-Y7 HydrophobicContact CE2-CD2 3.76Å; F3-Y7 HydrophobicContact CE2-CE2 4.15Å; F3-Y7 HydrophobicContact CG-CD2 4.29Å; F3-Y7 HydrophobicContact CZ-CD2 4.42Å; F3-Y7 PolarHBondContact O-N 3.26Å; F3-Y7 VanDerWaalsContact O-N 3.11Å
4M61.6Low78Confident122 Ų122118 Ų11860%0.60161%0.606SS**Iπ-helixtrans-63.8-41.1-179.5-139.1176.774.700111.9A2 L8A2-M4 PolarHBondContact O-N 3.26Å; M4-L8 HydrophobicContact CG-CB 4.45Å; M4-L8 HydrophobicContact CG-CD2 3.95Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.31Å
5K62.3Low78.8Confident158 Ų158119.6 Ų119.669%0.68761%0.608SS**Iπ-helixtrans-76.3-33.8176.3-79.3-172.8174.5-176.80113.3A2 F3 L9A2-K5 PolarHBondContact O-N 3.35Å; F3-K5 PolarHBondContact O-N 2.91Å; K5-L9 HydrophobicContact CB-CD1 4.22Å; K5-L9 HydrophobicContact CG-CD1 4.05Å
6K73.6Confident79.4Confident151 Ų151120.4 Ų120.466%0.65761%0.61SS**Iπ-helixtrans-79.5-28.8-172.1-156.3174.5-173.2-177.30113.6A2 F3 P10A2-K6 VanDerWaalsContact O-CB 3.29Å; A2-K6 WeakPolarHBondContact O-CB 3.43Å; A2-K6 PolarHBondContact O-N 2.96Å; F3-K6 PolarHBondContact O-N 3.12Å; K6-P10 WeakPolarHBondContact O-CG 3.36Å
7Y82.3Confident79.8Confident117 Ų117115.8 Ų115.846%0.45960%0.595SS.*Iπ-helixtrans-123.7-36.8-175.6-59.5-74.1000113.8F3 P10 I11F3-Y7 AromaticContact CD2-CD2 3.69Å; F3-Y7 HydrophobicContact CD2-CD2 3.69Å; F3-Y7 HydrophobicContact CD2-CE2 4.02Å; F3-Y7 AromaticContact CE2-CD2 3.76Å; F3-Y7 HydrophobicContact CE2-CD2 3.76Å; F3-Y7 HydrophobicContact CE2-CE2 4.15Å; F3-Y7 HydrophobicContact CG-CD2 4.29Å; F3-Y7 HydrophobicContact CZ-CD2 4.42Å; F3-Y7 PolarHBondContact O-N 3.26Å; F3-Y7 VanDerWaalsContact O-N 3.11Å; Y7-P10 WeakPolarHBondContact O-CD 3.49Å; Y7-P10 WeakPolarHBondContact O-CG 3.42Å; Y7-I11 WeakPolarHBondContact O-CB 3.47Å; Y7-I11 VanDerWaalsContact O-CD1 3.3Å; Y7-I11 WeakPolarHBondContact O-CD1 3.19Å; Y7-I11 WeakPolarHBondContact O-CG1 3.35Å; Y7-I11 PolarHBondContact O-N 3.42Å; Y7-I11 VanDerWaalsContact O-N 3.15Å
8L83.4Confident80.1Confident107 Ų107118.2 Ų118.256%0.5660%0.596SS**Iπ-helixtrans-70.2-42-176.4-152.583.3000112.4M4 I11 L12M4-L8 HydrophobicContact CG-CB 4.45Å; M4-L8 HydrophobicContact CG-CD2 3.95Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.31Å; L8-I11 PolarHBondContact O-N 3.08Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 PolarHBondContact O-N 2.94Å
9L84.1Confident80.2Confident105 Ų105120.8 Ų120.855%0.5560%0.6SS.*Hα-helixtrans-61.3-48.6177.3-80.8166000113.4K5 L12 G13K5-L9 HydrophobicContact CB-CD1 4.22Å; K5-L9 HydrophobicContact CG-CD1 4.05Å; L9-L12 PolarHBondContact O-N 3.48Å; L9-G13 PolarHBondContact O-N 3.04Å
10P86.2Confident80.2Confident64 Ų64124.1 Ų124.142%0.41661%0.606SS.*Hα-helixtrans-68.6-33.8176.921-29.6000113K6 Y7 G13 L14K6-P10 WeakPolarHBondContact O-CG 3.36Å; Y7-P10 WeakPolarHBondContact O-CD 3.49Å; Y7-P10 WeakPolarHBondContact O-CG 3.42Å; P10-G13 PolarHBondContact O-N 3.21Å; P10-L14 WeakPolarHBondContact O-CB 3.33Å; P10-L14 WeakPolarHBondContact O-CG 3.41Å; P10-L14 PolarHBondContact O-N 3.04Å
11I91.1Very high80Confident106 Ų106127.4 Ų127.454%0.54461%0.613SS.*Hα-helixtrans-65.2-45.8173.9-68.9167.6000110.6Y7 L8 G13 L14 F15Y7-I11 WeakPolarHBondContact O-CB 3.47Å; Y7-I11 VanDerWaalsContact O-CD1 3.3Å; Y7-I11 WeakPolarHBondContact O-CD1 3.19Å; Y7-I11 WeakPolarHBondContact O-CG1 3.35Å; Y7-I11 PolarHBondContact O-N 3.42Å; Y7-I11 VanDerWaalsContact O-N 3.15Å; L8-I11 PolarHBondContact O-N 3.08Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-G13 PolarHBondContact O-N 2.75Å; I11-L14 PolarHBondContact O-N 3.17Å; I11-F15 WeakPolarHBondContact O-CB 3.48Å; I11-F15 PolarHBondContact O-N 3.12Å
12L92.1Very high80.6Confident103 Ų103119.6 Ų119.654%0.53958%0.58SS.*Hα-helixtrans-62.8-39.8176.1-173.469.8000111.4L8 L9 F15 M16L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 3.48Å; L12-F15 PolarHBondContact O-N 3.39Å; L12-M16 WeakPolarHBondContact O-CB 3.45Å; L12-M16 VanDerWaalsContact O-CG 3.27Å; L12-M16 WeakPolarHBondContact O-CG 3.4Å; L12-M16 PolarHBondContact O-N 2.87Å
13G91.7Very high80.4Confident38 Ų38118.2 Ų118.239%0.39257%0.569SS.*Hα-helixtrans-63-43.9174.900000112.8L9 P10 I11 M16 A17L9-G13 PolarHBondContact O-N 3.04Å; P10-G13 PolarHBondContact O-N 3.21Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-G13 PolarHBondContact O-N 2.75Å; G13-M16 PolarHBondContact O-N 3.37Å; G13-A17 VanDerWaalsContact O-CB 3.27Å; G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.95Å
14L92.1Very high80.2Confident126 Ų126117 Ų11766%0.6657%0.57SS**Hα-helixtrans-64.3-39.1173.8-81164000112P10 I11 A17 Y18P10-L14 WeakPolarHBondContact O-CB 3.33Å; P10-L14 WeakPolarHBondContact O-CG 3.41Å; P10-L14 PolarHBondContact O-N 3.04Å; I11-L14 PolarHBondContact O-N 3.17Å; L14-A17 PolarHBondContact O-N 2.9Å; L14-Y18 VanDerWaalsContact O-CB 3.28Å; L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.79Å
15F90.3Very high80.6Confident142 Ų142119.8 Ų119.862%0.62358%0.581SS**Hα-helixtrans-68.6-42.5178.1-152.8-89.1000111.7I11 L12 Y18 Y19I11-F15 WeakPolarHBondContact O-CB 3.48Å; I11-F15 PolarHBondContact O-N 3.12Å; L12-F15 PolarHBondContact O-N 3.39Å; F15-Y18 PolarHBondContact O-N 3.45Å; F15-Y19 WeakPolarHBondContact O-CB 3.31Å; F15-Y19 PolarHBondContact O-N 3.23Å
16M88.4Confident81.8Confident132 Ų132119.4 Ų119.465%0.6558%0.582SS**Hα-helixtrans-65-41173.6-72.2-118-67.900111.8L12 G13 Y19 Y20L12-M16 WeakPolarHBondContact O-CB 3.45Å; L12-M16 VanDerWaalsContact O-CG 3.27Å; L12-M16 WeakPolarHBondContact O-CG 3.4Å; L12-M16 PolarHBondContact O-N 2.87Å; G13-M16 PolarHBondContact O-N 3.37Å; M16-Y19 PolarHBondContact O-N 3.5Å; M16-Y20 WeakPolarHBondContact O-CB 3.06Å; M16-Y20 PolarHBondContact O-N 3.12Å
17A85.7Confident82.8Confident42 Ų42118.4 Ų118.435%0.34758%0.578SS.*Hα-helixtrans-64.1-45.6174.400000111G13 L14 Y19 Y20 Y21G13-A17 VanDerWaalsContact O-CB 3.27Å; G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.95Å; L14-A17 PolarHBondContact O-N 2.9Å; A17-Y19 PolarHBondContact O-N 2.86Å; A17-Y20 PolarHBondContact O-N 2.77Å; A17-Y21 WeakPolarHBondContact O-CB 3.27Å; A17-Y21 VanDerWaalsContact O-CD2 3.28Å; A17-Y21 WeakPolarHBondContact O-CD2 3.26Å; A17-Y21 PolarHBondContact O-N 3.41Å
18Y85.3Confident83.4Confident159 Ų159120.4 Ų120.462%0.62459%0.585SS**Hα-helixtrans-60.7-44.5175.1178.2-99.8000111.4L14 F15 Y20 Y21 S22L14-Y18 VanDerWaalsContact O-CB 3.28Å; L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.79Å; F15-Y18 PolarHBondContact O-N 3.45Å; Y18-Y20 PolarHBondContact O-N 3.45Å; Y18-Y21 PolarHBondContact O-N 3.03Å; Y18-S22 WeakPolarHBondContact O-CA 3.44Å; Y18-S22 WeakPolarHBondContact O-CB 3.41Å; Y18-S22 PolarHBondContact O-N 3.38Å; Y18-S22 PolarHBondContact O-OG 3.47Å
19Y82.7Confident83.9Confident168 Ų168118.3 Ų118.366%0.65958%0.577SS**Hα-helixtrans-64.1-42.4176.9-169.4-92000111.5F15 M16 A17 A23F15-Y19 WeakPolarHBondContact O-CB 3.31Å; F15-Y19 PolarHBondContact O-N 3.23Å; M16-Y19 PolarHBondContact O-N 3.5Å; A17-Y19 PolarHBondContact O-N 2.86Å; Y19-A23 WeakPolarHBondContact O-CB 3.36Å; Y19-A23 PolarHBondContact O-N 3.05Å
20Y80.1Confident84.5Confident186 Ų186119.1 Ų119.173%0.72958%0.578SS**Hα-helixtrans-66-39.7178-172.1-93.9000112.8M16 A17 Y18M16-Y20 WeakPolarHBondContact O-CB 3.06Å; M16-Y20 PolarHBondContact O-N 3.12Å; A17-Y20 PolarHBondContact O-N 2.77Å; Y18-Y20 PolarHBondContact O-N 3.45Å
21Y76.4Confident85.1Confident194 Ų194119.4 Ų119.476%0.76158%0.575SS**Hα-helixtrans-86-19.3179.1-82-81.3000114.1A17 Y18A17-Y21 WeakPolarHBondContact O-CB 3.27Å; A17-Y21 VanDerWaalsContact O-CD2 3.28Å; A17-Y21 WeakPolarHBondContact O-CD2 3.26Å; A17-Y21 PolarHBondContact O-N 3.41Å; Y18-Y21 PolarHBondContact O-N 3.03Å
22S71.3Confident85.4Confident53 Ų53115.4 Ų115.437%0.37156%0.555SS.*Hα-helixtrans-99.6-11.1176.171.90000113.4Y18 N24Y18-S22 WeakPolarHBondContact O-CA 3.44Å; Y18-S22 WeakPolarHBondContact O-CB 3.41Å; Y18-S22 PolarHBondContact O-N 3.38Å; Y18-S22 PolarHBondContact O-OG 3.47Å; S22-N24 PolarHBondContact O-N 3.39Å
23A61.8Low85.7Confident53 Ų53117 Ų11744%0.43856%0.559SS.*  trans-6871.7163.700000109.3Y19 E25Y19-A23 WeakPolarHBondContact O-CB 3.36Å; Y19-A23 PolarHBondContact O-N 3.05Å; A23-E25 PolarHBondContact O-N 3.28Å; A23-E25 VanDerWaalsContact O-N 3.16Å
24N60.8Low86.1Confident131 Ų131116.9 Ų116.970%0.70156%0.558SS**  trans-58.4116.1153.1-78.8-22000105.9S22 E26S22-N24 PolarHBondContact O-N 3.39Å; N24-E26 PolarHBondContact O-N 3.38Å
25E71.3Confident86.4Confident181 Ų181114.6 Ų114.685%0.84654%0.543SS*.  trans-68.588.3169.7-71.3-157.316600108.5A23A23-E25 PolarHBondContact O-N 3.28Å; A23-E25 VanDerWaalsContact O-N 3.16Å
26E87.8Confident86.8Confident149 Ų149110.5 Ų110.570%0.69653%0.525SS*.  trans-70.3145.4170.2-69.4-170.7171.600110N24 R28 M31N24-E26 PolarHBondContact O-N 3.38Å; E26-R28 PolarHBondContact O-N 3.47Å; E26-M31 WeakPolarHBondContact O-CE 3.45Å
27F93.4Very high87.3Confident131 Ų131104.2 Ų104.258%0.57549%0.494SS*.  trans-61.2132.5176.5171.5-96.6000110.7P29 L32 M57F27-P29 HydrophobicContact CE1-CG 4.24Å; F27-L32 HydrophobicContact CE2-CD2 3.84Å; F27-M57 HydrophobicContact CE1-CE 4.32Å; F27-M57 HydrophobicContact CZ-CE 3.72Å; F27-M57 HydrophobicContact CZ-SD 4.07Å
28R94.6Very high87.9Confident158 Ų158102.2 Ų102.260%0.59648%0.477SS*.  trans-131.3130.8173.8-69.5-175.3-62.9-162.5-2.1109.4E26 E30 M31E26-R28 PolarHBondContact O-N 3.47Å; R28-E30 WeakPolarHBondContact CB-OE2 3.4Å; R28-E30 PolarHBondContact O-N 3.15Å; R28-E30 VanDerWaalsContact O-N 3.08Å; R28-M31 HydrophobicContact CB-CE 4.46Å; R28-M31 HydrophobicContact CB-CG 4.24Å; R28-M31 HydrophobicContact CB-SD 4.45Å; R28-M31 VanDerWaalsContact O-CB 3.22Å; R28-M31 WeakPolarHBondContact O-CB 3.3Å; R28-M31 VanDerWaalsContact O-CG 3.25Å; R28-M31 WeakPolarHBondContact O-CG 3.22Å; R28-M31 PolarHBondContact O-N 3.47Å
29P95.8Very high88.6Confident63 Ų6394.7 Ų94.741%0.40945%0.448SS..G310 helixtrans-51.8-32.7-179-29.637.1000114.5F27 M31 L32 M57F27-P29 HydrophobicContact CE1-CG 4.24Å; P29-M31 PolarHBondContact O-N 2.86Å; P29-L32 PolarHBondContact O-N 2.92Å; P29-M57 HydrophobicContact CB-CG 4.12Å
30E96.4Very high89.4Confident123 Ų12386.7 Ų86.758%0.57542%0.416SS*.G310 helixtrans-63.3-21.1179.9-57.575.7-165.200112.5R28 L32 Q33R28-E30 WeakPolarHBondContact CB-OE2 3.4Å; R28-E30 PolarHBondContact O-N 3.15Å; R28-E30 VanDerWaalsContact O-N 3.08Å; E30-L32 PolarHBondContact O-N 3.39Å; E30-Q33 PolarHBondContact O-N 3.43Å
31M97.3Very high90.2Very high70 Ų7078.7 Ų78.735%0.34539%0.391SS..G310 helixtrans-59.9-24.9173.4-66.3174.3166.300112.5E26 R28 P29 K35E26-M31 WeakPolarHBondContact O-CE 3.45Å; R28-M31 HydrophobicContact CB-CE 4.46Å; R28-M31 HydrophobicContact CB-CG 4.24Å; R28-M31 HydrophobicContact CB-SD 4.45Å; R28-M31 VanDerWaalsContact O-CB 3.22Å; R28-M31 WeakPolarHBondContact O-CB 3.3Å; R28-M31 VanDerWaalsContact O-CG 3.25Å; R28-M31 WeakPolarHBondContact O-CG 3.22Å; R28-M31 PolarHBondContact O-N 3.47Å; P29-M31 PolarHBondContact O-N 2.86Å; M31-K35 WeakPolarHBondContact O-CG 3.37Å
32L98.6Very high91.3Very high22 Ų2269.4 Ų69.412%0.11535%0.354CS..G310 helixtrans-102.6-7.4-176.6-78.3-66.1000112.6F27 P29 E30 G34 K35 L54 M57 M115F27-L32 HydrophobicContact CE2-CD2 3.84Å; P29-L32 PolarHBondContact O-N 2.92Å; E30-L32 PolarHBondContact O-N 3.39Å; L32-G34 PolarHBondContact O-N 3.2Å; L32-K35 HydrophobicContact CD1-CB 4.45Å; L32-K35 WeakPolarHBondContact O-CB 3.36Å; L32-K35 PolarHBondContact O-N 3.05Å; L32-K35 VanDerWaalsContact O-N 3.09Å; L32-L54 HydrophobicContact CD1-CD2 3.78Å; L32-L54 HydrophobicContact CG-CD2 4.17Å; L32-M57 HydrophobicContact CB-CB 3.89Å; L32-M57 HydrophobicContact CB-CG 4.44Å; L32-M57 HydrophobicContact CB-SD 3.91Å; L32-M57 HydrophobicContact CG-SD 4.01Å; L32-M115 HydrophobicContact CD1-CE 4.18Å
33Q98.6Very high92.6Very high135 Ų13568 Ų6863%0.63134%0.344SS*.THydrogen-bonded Turntrans-64.5126.9179.8-169.2177.8-4.700110.8E30 K35 M57E30-Q33 PolarHBondContact O-N 3.43Å; Q33-K35 PolarHBondContact O-N 3.28Å; Q33-M57 WeakPolarHBondContact CA-O 3.42Å; Q33-M57 WeakPolarHBondContact CB-O 3.45Å
34G98.6Very high94.3Very high36 Ų3672 Ų7237%0.37135%0.352SS..THydrogen-bonded Turntrans69.83.9-176.500000115L32 G58 H60L32-G34 PolarHBondContact O-N 3.2Å; G34-G58 PolarHBondContact N-O 2.88Å; G34-H60 PolarHBondContact O-CD2 3.49Å
35K98.9Very high96.1Very high78 Ų7867.7 Ų67.734%0.33934%0.339SS..  trans-72.5144.8176.1-67.7-58.3-166.6176.50111.7M31 L32 Q33 V37 A59 H60 D114M31-K35 WeakPolarHBondContact O-CG 3.37Å; L32-K35 HydrophobicContact CD1-CB 4.45Å; L32-K35 WeakPolarHBondContact O-CB 3.36Å; L32-K35 PolarHBondContact O-N 3.05Å; L32-K35 VanDerWaalsContact O-N 3.09Å; Q33-K35 PolarHBondContact O-N 3.28Å; K35-V37 HydrophobicContact CB-CG2 4.16Å; K35-A59 WeakPolarHBondContact O-CB 3.41Å; K35-H60 PolarHBondContact O-N 3.45Å; K35-D114 HydrophobicContact CB-CB 4.24Å; K35-D114 HydrophobicContact CD-CB 3.83Å; K35-D114 VanDerWaalsContact CD-CG 3.48Å; K35-D114 WeakPolarHBondContact CD-OD1 3.46Å; K35-D114 IonicContact NZ-OD1 2.85Å; K35-D114 PolarHBondContact NZ-OD1 3.37Å
36K98.9Very high97.4Very high57 Ų5764.6 Ų64.625%0.24833%0.326CS..EExtended strand (participates in β ladder)trans-97.8108.9-178-58.8167.1-174.4173.90109.5H60 M110 G111 D114 M115K36-H60 HydrophobicContact CG-CB 4.4Å; K36-M110 HydrophobicContact CB-CB 4Å; K36-M110 HydrophobicContact CB-CE 4.09Å; K36-M110 HydrophobicContact CB-SD 3.8Å; K36-M110 HydrophobicContact CD-CB 4.11Å; K36-M110 VanDerWaalsContact CD-O 3.27Å; K36-M110 WeakPolarHBondContact CD-O 3.36Å; K36-M110 WeakPolarHBondContact CE-O 3.35Å; K36-M110 HydrophobicContact CG-CB 3.95Å; K36-M110 PolarHBondContact NZ-O 3.38Å; K36-G111 PolarHBondContact NZ-O 2.85Å; K36-D114 WeakPolarHBondContact CB-OD2 3.28Å; K36-D114 PolarHBondContact N-OD2 3.33Å; K36-D114 PolarHBondContact O-N 3.45Å; K36-M115 PolarHBondContact O-N 2.85Å; K36-M115 VanDerWaalsContact O-N 3.11Å
37V98.9Very high97.9Very high0 Ų057.5 Ų57.50%029%0.293CS..EExtended strand (participates in β ladder)trans-126.2127.9-166.2-170.80000111.5K35 V39 L54 A59 H60 V61 V62 M115 I117K35-V37 HydrophobicContact CB-CG2 4.16Å; V37-V39 HydrophobicContact CG1-CG2 4.18Å; V37-L54 HydrophobicContact CB-CD1 4.06Å; V37-L54 HydrophobicContact CG1-CD1 3.5Å; V37-L54 HydrophobicContact CG1-CD2 4.37Å; V37-L54 HydrophobicContact CG2-CD2 4.15Å; V37-A59 HydrophobicContact CG2-CB 4.36Å; V37-H60 PolarHBondContact N-O 2.74Å; V37-V61 WeakPolarHBondContact O-CA 3.29Å; V37-V62 PolarHBondContact O-N 3.16Å; V37-M115 WeakPolarHBondContact CA-O 3.29Å; V37-M115 HydrophobicContact CG1-CB 4.03Å; V37-M115 HydrophobicContact CG1-CG 4.31Å; V37-M115 HydrophobicContact CG1-SD 4.43Å; V37-M115 HydrophobicContact CG2-CB 4.14Å; V37-I117 HydrophobicContact CG1-CD1 3.92Å; V37-I117 HydrophobicContact CG1-CG1 4.07Å
38I98.9Very high98.2Very high0 Ų055.3 Ų55.30%028%0.281CS..EExtended strand (participates in β ladder)trans-94.5134.8167.9-75.9169.8000109.3T40 V62 F102 V103 A106 M110 L113 M115 L116 I117I38-T40 HydrophobicContact CG2-CG2 4.28Å; I38-V62 WeakPolarHBondContact CA-O 3.22Å; I38-V62 HydrophobicContact CG1-CB 4.33Å; I38-F102 HydrophobicContact CD1-CE1 4.41Å; I38-F102 HydrophobicContact CD1-CZ 4.48Å; I38-F102 HydrophobicContact CG1-CZ 4.4Å; I38-F102 HydrophobicContact CG2-CE1 3.59Å; I38-F102 HydrophobicContact CG2-CZ 3.62Å; I38-V103 HydrophobicContact CD1-CG1 4.49Å; I38-A106 HydrophobicContact CD1-CB 3.54Å; I38-A106 HydrophobicContact CG1-CB 3.87Å; I38-M110 HydrophobicContact CG1-CE 3.99Å; I38-L113 HydrophobicContact CB-CD1 4.09Å; I38-L113 HydrophobicContact CD1-CD1 3.61Å; I38-L113 HydrophobicContact CD1-CD2 3.97Å; I38-L113 HydrophobicContact CD1-CG 4.46Å; I38-L113 HydrophobicContact CG1-CD1 3.61Å; I38-M115 PolarHBondContact N-O 3.38Å; I38-L116 HydrophobicContact CB-CD1 3.9Å; I38-L116 HydrophobicContact CD1-CD1 4.34Å; I38-L116 HydrophobicContact CG2-CD1 3.59Å; I38-I117 WeakPolarHBondContact O-CB 3.18Å; I38-I117 PolarHBondContact O-N 2.98Å
39V98.9Very high98.4Very high0 Ų051.5 Ų51.50%027%0.27CS..EExtended strand (participates in β ladder)trans-126.8118.2171.2-165.30000110.9V37 A42 M50 L54 V62 V63 T64 I117V37-V39 HydrophobicContact CG1-CG2 4.18Å; V39-A42 HydrophobicContact CB-CB 4.14Å; V39-A42 HydrophobicContact CG1-CB 4.01Å; V39-M50 HydrophobicContact CG1-CB 4.32Å; V39-M50 HydrophobicContact CG1-CE 3.98Å; V39-L54 HydrophobicContact CG2-CD1 3.65Å; V39-V62 PolarHBondContact N-O 2.84Å; V39-V63 HydrophobicContact CB-CG1 4.44Å; V39-V63 WeakPolarHBondContact O-CA 3.44Å; V39-T64 PolarHBondContact O-N 3.47Å; V39-I117 HydrophobicContact CG1-CB 4.37Å; V39-I117 HydrophobicContact CG1-CG2 4.37Å; V39-I117 HydrophobicContact CG2-CB 4.49Å; V39-I117 HydrophobicContact CG2-CD1 4.2Å
40T98.9Very high98.5Very high0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-91.5150.7176.865.80000112.2I38 A42 T64 M93 F102 I117 L118 N119 H120 L150I38-T40 HydrophobicContact CG2-CG2 4.28Å; T40-A42 VanDerWaalsContact C-N 3.26Å; T40-A42 PolarHBondContact O-N 3.23Å; T40-T64 HydrophobicContact CG2-CG2 3.77Å; T40-M93 HydrophobicContact CG2-CE 4.01Å; T40-F102 HydrophobicContact CG2-CE1 4.32Å; T40-I117 PolarHBondContact N-O 3.39Å; T40-I117 PolarHBondContact OG1-O 3.19Å; T40-I117 VanDerWaalsContact OG1-O 3.12Å; T40-L118 HydrophobicContact CG2-CD2 4.37Å; T40-L118 WeakPolarHBondContact OG1-CA 3.34Å; T40-N119 WeakPolarHBondContact O-CB 3.32Å; T40-N119 PolarHBondContact O-ND2 3.01Å; T40-N119 PolarHBondContact OG1-N 3.46Å; T40-H120 WeakPolarHBondContact CB-ND1 3.44Å; T40-H120 PolarHBondContact OG1-N 2.85Å; T40-H120 PolarHBondContact OG1-ND1 3.08Å; T40-L150 HydrophobicContact CG2-CD1 4.11Å
41G98.6Very high98.7Very high18 Ų1844.6 Ų44.619%0.18623%0.233CC..THydrogen-bonded Turntrans68.128.2-178.300000112.6S43 T64G41-S43 PolarHBondContact O-N 2.91Å; G41-T64 PolarHBondContact N-O 3.38Å
42A98.7Very high98.7Very high0 Ų042.8 Ų42.80%022%0.223CC..THydrogen-bonded Turntrans-89.74.6-16500000115V39 T40 K44 R48 V63 T64V39-A42 HydrophobicContact CB-CB 4.14Å; V39-A42 HydrophobicContact CG1-CB 4.01Å; T40-A42 VanDerWaalsContact C-N 3.26Å; T40-A42 PolarHBondContact O-N 3.23Å; A42-K44 VanDerWaalsContact C-N 3.27Å; A42-K44 PolarHBondContact O-N 3.24Å; A42-R48 WeakPolarHBondContact O-CA 3.48Å; A42-R48 WeakPolarHBondContact O-CB 3.35Å; A42-V63 HydrophobicContact CB-CB 3.74Å; A42-V63 HydrophobicContact CB-CG1 3.74Å; A42-T64 PolarHBondContact N-O 3.44Å; A42-T64 VanDerWaalsContact N-O 3.11Å
43S98.4Very high98.8Very high23 Ų2346.5 Ų46.516%0.16124%0.239CC..THydrogen-bonded Turntrans-68.2-22.5177.658.20000114.4G41 A65 T70G41-S43 PolarHBondContact O-N 2.91Å; S43-A65 WeakPolarHBondContact OG-CB 3.45Å; S43-T70 WeakPolarHBondContact CB-OG1 3.4Å
44K98.3Very high98.8Very high137 Ų13740.7 Ų40.760%0.59621%0.212SC*.SBendtrans-159.9172.9-176.363.6178.8-178.51760111.2A42 R48A42-K44 VanDerWaalsContact C-N 3.27Å; A42-K44 PolarHBondContact O-N 3.24Å; K44-R48 PolarHBondContact O-N 3.14Å
45G98.3Very high98.8Very high41 Ų4139 Ų3942%0.42319%0.194SC..Hα-helixtrans58.5-147.617200000113G47 R48 E49G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 2.95Å; G45-R48 WeakPolarHBondContact O-CB 3.38Å; G45-R48 PolarHBondContact O-N 2.8Å; G45-E49 PolarHBondContact O-N 3.32Å; G45-E49 VanDerWaalsContact O-N 3.16Å
46I98.7Very high98.8Very high115 Ų11541.4 Ų41.459%0.5921%0.205SC*.Hα-helixtrans-56-42.1-175.1-56.7173.6000111.6R48 E49 M50I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 3.02Å; I46-E49 PolarHBondContact O-N 3.18Å; I46-M50 HydrophobicContact CG2-CE 4.06Å; I46-M50 HydrophobicContact CG2-CG 4.27Å; I46-M50 HydrophobicContact CG2-SD 4.28Å; I46-M50 WeakPolarHBondContact O-CG 3.26Å; I46-M50 PolarHBondContact O-N 2.93Å
47G98.8Very high98.8Very high0 Ų040.6 Ų40.60%020%0.203CC..Hα-helixtrans-59.1-38.9178.400000113.6G45 A51 N119G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 2.95Å; G47-A51 PolarHBondContact O-N 3.19Å; G47-A51 VanDerWaalsContact O-N 3.14Å; G47-N119 WeakPolarHBondContact CA-ND2 3.44Å
48R98.9Very high98.8Very high85 Ų8541.3 Ų41.332%0.32121%0.21SC..Hα-helixtrans-69.2-46176.6-179.6177.368.3-161.22111.5A42 K44 G45 I46 M50 A51 Y52 V74A42-R48 WeakPolarHBondContact O-CA 3.48Å; A42-R48 WeakPolarHBondContact O-CB 3.35Å; K44-R48 PolarHBondContact O-N 3.14Å; G45-R48 WeakPolarHBondContact O-CB 3.38Å; G45-R48 PolarHBondContact O-N 2.8Å; I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 3.02Å; R48-M50 VanDerWaalsContact C-N 3.31Å; R48-M50 PolarHBondContact O-N 3.3Å; R48-A51 WeakPolarHBondContact O-CB 3.35Å; R48-A51 PolarHBondContact O-N 3.24Å; R48-A51 VanDerWaalsContact O-N 3.13Å; R48-Y52 WeakPolarHBondContact CD-OH 3.38Å; R48-Y52 HydrophobicContact CG-CD1 4.48Å; R48-Y52 HydrophobicContact CG-CD2 4.06Å; R48-Y52 HydrophobicContact CG-CE1 3.95Å; R48-Y52 HydrophobicContact CG-CE2 3.47Å; R48-Y52 VanDerWaalsContact CG-CE2 3.47Å; R48-Y52 VanDerWaalsContact CG-CZ 3.41Å; R48-Y52 PolarHBondContact O-N 3.09Å; R48-V74 HydrophobicContact CG-CG1 4.41Å; R48-V74 HydrophobicContact CG-CG2 3.8Å
49E98.9Very high98.8Very high78 Ų7841.3 Ų41.336%0.36421%0.21SC..Hα-helixtrans-64.4-38179.4-56.6-46.9132.800111.2G45 I46 A51 Y52 H53G45-E49 PolarHBondContact O-N 3.32Å; G45-E49 VanDerWaalsContact O-N 3.16Å; I46-E49 PolarHBondContact O-N 3.18Å; E49-A51 PolarHBondContact O-N 3.08Å; E49-Y52 PolarHBondContact O-N 3.06Å; E49-H53 PolarHBondContact O-CD2 2.97Å; E49-H53 PolarHBondContact O-N 2.84Å
50M98.9Very high98.8Very high41 Ų4143.8 Ų43.820%0.20222%0.221CC..Hα-helixtrans-58.2-45.9171-72.9-171.3-6300111.7V39 I46 R48 Y52 H53 L54 I117 N119 V168V39-M50 HydrophobicContact CG1-CB 4.32Å; V39-M50 HydrophobicContact CG1-CE 3.98Å; I46-M50 HydrophobicContact CG2-CE 4.06Å; I46-M50 HydrophobicContact CG2-CG 4.27Å; I46-M50 HydrophobicContact CG2-SD 4.28Å; I46-M50 WeakPolarHBondContact O-CG 3.26Å; I46-M50 PolarHBondContact O-N 2.93Å; R48-M50 VanDerWaalsContact C-N 3.31Å; R48-M50 PolarHBondContact O-N 3.3Å; M50-Y52 VanDerWaalsContact C-N 3.29Å; M50-Y52 PolarHBondContact O-N 2.92Å; M50-H53 PolarHBondContact O-N 3.2Å; M50-L54 WeakPolarHBondContact O-CB 3.49Å; M50-L54 WeakPolarHBondContact O-CD1 3.14Å; M50-L54 WeakPolarHBondContact O-CG 3.42Å; M50-L54 PolarHBondContact O-N 3.27Å; M50-I117 HydrophobicContact CE-CG2 3.59Å; M50-I117 HydrophobicContact SD-CD1 4.37Å; M50-I117 HydrophobicContact SD-CG2 3.78Å; M50-N119 HydrophobicContact CE-CB 3.75Å; M50-V168 HydrophobicContact CE-CG2 4.36Å
51A98.9Very high98.8Very high0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-60.6-38.3176.100000112.3G47 R48 E49 A55 V63 V74 C78G47-A51 PolarHBondContact O-N 3.19Å; G47-A51 VanDerWaalsContact O-N 3.14Å; R48-A51 WeakPolarHBondContact O-CB 3.35Å; R48-A51 PolarHBondContact O-N 3.24Å; R48-A51 VanDerWaalsContact O-N 3.13Å; E49-A51 PolarHBondContact O-N 3.08Å; A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 3.05Å; A51-V63 HydrophobicContact CB-CG1 3.7Å; A51-V74 HydrophobicContact CB-CG1 4.21Å; A51-C78 PolarHBondContact O-SG 2.93Å
52Y98.9Very high98.8Very high33 Ų3342.9 Ų42.913%0.12921%0.213CC..Hα-helixtrans-69.8-40.1176.7-65.2-14000113R48 E49 M50 A55 K56 V74 H77 L81R48-Y52 WeakPolarHBondContact CD-OH 3.38Å; R48-Y52 HydrophobicContact CG-CD1 4.48Å; R48-Y52 HydrophobicContact CG-CD2 4.06Å; R48-Y52 HydrophobicContact CG-CE1 3.95Å; R48-Y52 HydrophobicContact CG-CE2 3.47Å; R48-Y52 VanDerWaalsContact CG-CE2 3.47Å; R48-Y52 VanDerWaalsContact CG-CZ 3.41Å; R48-Y52 PolarHBondContact O-N 3.09Å; E49-Y52 PolarHBondContact O-N 3.06Å; M50-Y52 VanDerWaalsContact C-N 3.29Å; M50-Y52 PolarHBondContact O-N 2.92Å; Y52-A55 WeakPolarHBondContact O-CB 3.38Å; Y52-A55 PolarHBondContact O-N 3.43Å; Y52-K56 WeakPolarHBondContact O-CG 3.35Å; Y52-K56 PolarHBondContact O-N 2.83Å; Y52-V74 HydrophobicContact CE1-CB 4.4Å; Y52-V74 HydrophobicContact CE1-CG1 3.9Å; Y52-H77 AromaticContact CD1-CD2 3.84Å; Y52-H77 AromaticContact CD2-CD2 3.98Å; Y52-H77 HydrophobicContact CE1-CB 3.82Å; Y52-H77 AromaticContact CE1-CD2 3.55Å; Y52-H77 AromaticContact CE2-CD2 3.68Å; Y52-H77 AromaticContact CZ-CD2 3.44Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.44Å; Y52-L81 HydrophobicContact CD1-CD1 4.04Å; Y52-L81 HydrophobicContact CG-CD1 3.89Å
53H98.9Very high98.8Very high99 Ų9942.9 Ų42.946%0.45821%0.213SC..Hα-helixtrans-65.3-45.1175.2-81.3-71.7000111.7E49 M50 A55 K56 M57E49-H53 PolarHBondContact O-CD2 2.97Å; E49-H53 PolarHBondContact O-N 2.84Å; M50-H53 PolarHBondContact O-N 3.2Å; H53-A55 VanDerWaalsContact C-N 3.28Å; H53-A55 PolarHBondContact O-N 3.42Å; H53-K56 PolarHBondContact O-N 3.5Å; H53-M57 HydrophobicContact CB-CE 4.19Å; H53-M57 VanDerWaalsContact O-CG 3.22Å; H53-M57 WeakPolarHBondContact O-CG 3.21Å; H53-M57 PolarHBondContact O-N 3.35Å; H53-M57 VanDerWaalsContact O-N 3.08Å
54L98.9Very high98.8Very high13 Ų1341.9 Ų41.97%0.06821%0.205CC..Hα-helixtrans-60.4-39.1174.8-70.3167.3000111.9L32 V37 V39 M50 M57 G58 A59 V61 I117L32-L54 HydrophobicContact CD1-CD2 3.78Å; L32-L54 HydrophobicContact CG-CD2 4.17Å; V37-L54 HydrophobicContact CB-CD1 4.06Å; V37-L54 HydrophobicContact CG1-CD1 3.5Å; V37-L54 HydrophobicContact CG1-CD2 4.37Å; V37-L54 HydrophobicContact CG2-CD2 4.15Å; V39-L54 HydrophobicContact CG2-CD1 3.65Å; M50-L54 WeakPolarHBondContact O-CB 3.49Å; M50-L54 WeakPolarHBondContact O-CD1 3.14Å; M50-L54 WeakPolarHBondContact O-CG 3.42Å; M50-L54 PolarHBondContact O-N 3.27Å; L54-M57 CarbonylContact O-C 3.36Å; L54-M57 PolarHBondContact O-N 2.94Å; L54-G58 PolarHBondContact O-N 2.93Å; L54-A59 HydrophobicContact CB-CB 4.08Å; L54-A59 HydrophobicContact CD2-CB 4.47Å; L54-A59 VanDerWaalsContact O-CB 3.28Å; L54-A59 WeakPolarHBondContact O-CB 3.22Å; L54-A59 PolarHBondContact O-N 3.01Å; L54-V61 HydrophobicContact CB-CG1 3.71Å; L54-V61 HydrophobicContact CD1-CG1 4.26Å; L54-I117 HydrophobicContact CD1-CD1 4.07Å
55A98.9Very high98.9Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-61-48.9174.300000112.4A51 Y52 H53 M57 G58 C78 L81 G82 A83A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 3.05Å; Y52-A55 WeakPolarHBondContact O-CB 3.38Å; Y52-A55 PolarHBondContact O-N 3.43Å; H53-A55 VanDerWaalsContact C-N 3.28Å; H53-A55 PolarHBondContact O-N 3.42Å; A55-M57 PolarHBondContact O-N 3.47Å; A55-G58 PolarHBondContact O-N 2.85Å; A55-C78 HydrophobicContact CB-CB 3.81Å; A55-C78 WeakPolarHBondContact CB-O 3.01Å; A55-L81 HydrophobicContact CB-CB 3.92Å; A55-G82 CarbonylContact O-C 3.44Å; A55-A83 HydrophobicContact CB-CB 3.77Å; A55-A83 PolarHBondContact O-N 3.14Å
56K98.8Very high98.9Very high130 Ų13041.1 Ų41.157%0.56519%0.189SC*.Hα-helixtrans-58.8-28.8175.2-70.8173.4-178.3175.40113.1Y52 H53 G58 L81Y52-K56 WeakPolarHBondContact O-CG 3.35Å; Y52-K56 PolarHBondContact O-N 2.83Å; H53-K56 PolarHBondContact O-N 3.5Å; K56-G58 VanDerWaalsContact C-N 3.27Å; K56-L81 WeakPolarHBondContact CA-O 2.99Å; K56-L81 HydrophobicContact CD-CD2 4.47Å; K56-L81 HydrophobicContact CG-CB 4.06Å; K56-L81 HydrophobicContact CG-CD1 4.29Å; K56-L81 HydrophobicContact CG-CD2 4.06Å; K56-L81 HydrophobicContact CG-CG 4.37Å
57M98.8Very high98.8Very high40 Ų4037.7 Ų37.720%0.19718%0.175CC..THydrogen-bonded Turntrans-82.7-0.8176.8-63.5167-167.700112.9F27 P29 L32 Q33 H53 L54 A55F27-M57 HydrophobicContact CE1-CE 4.32Å; F27-M57 HydrophobicContact CZ-CE 3.72Å; F27-M57 HydrophobicContact CZ-SD 4.07Å; P29-M57 HydrophobicContact CB-CG 4.12Å; L32-M57 HydrophobicContact CB-CB 3.89Å; L32-M57 HydrophobicContact CB-CG 4.44Å; L32-M57 HydrophobicContact CB-SD 3.91Å; L32-M57 HydrophobicContact CG-SD 4.01Å; Q33-M57 WeakPolarHBondContact CA-O 3.42Å; Q33-M57 WeakPolarHBondContact CB-O 3.45Å; H53-M57 HydrophobicContact CB-CE 4.19Å; H53-M57 VanDerWaalsContact O-CG 3.22Å; H53-M57 WeakPolarHBondContact O-CG 3.21Å; H53-M57 PolarHBondContact O-N 3.35Å; H53-M57 VanDerWaalsContact O-N 3.08Å; L54-M57 CarbonylContact O-C 3.36Å; L54-M57 PolarHBondContact O-N 2.94Å; A55-M57 PolarHBondContact O-N 3.47Å
58G98.8Very high98.8Very high15 Ų1542.5 Ų42.516%0.15520%0.196CC..THydrogen-bonded Turntrans7626.7179.400000114.3G34 L54 A55 K56 A84G34-G58 PolarHBondContact N-O 2.88Å; L54-G58 PolarHBondContact O-N 2.93Å; A55-G58 PolarHBondContact O-N 2.85Å; K56-G58 VanDerWaalsContact C-N 3.27Å; G58-A84 WeakPolarHBondContact O-CB 3.48Å
59A98.9Very high98.8Very high0 Ų044 Ų440%021%0.207CC..  trans-76.9159.4175.700000112.2K35 V37 L54 V61 A84K35-A59 WeakPolarHBondContact O-CB 3.41Å; V37-A59 HydrophobicContact CG2-CB 4.36Å; L54-A59 HydrophobicContact CB-CB 4.08Å; L54-A59 HydrophobicContact CD2-CB 4.47Å; L54-A59 VanDerWaalsContact O-CB 3.28Å; L54-A59 WeakPolarHBondContact O-CB 3.22Å; L54-A59 PolarHBondContact O-N 3.01Å; A59-V61 HydrophobicContact CB-CG1 4.25Å; A59-A84 PolarHBondContact O-N 2.79Å
60H98.9Very high98.7Very high51 Ų5142.5 Ų42.524%0.23620%0.203CC..EExtended strand (participates in β ladder)trans-84.8124.5160-61.1-87.8000108.4G34 K35 K36 V37 A84 S85 M110G34-H60 PolarHBondContact O-CD2 3.49Å; K35-H60 PolarHBondContact O-N 3.45Å; K36-H60 HydrophobicContact CG-CB 4.4Å; V37-H60 PolarHBondContact N-O 2.74Å; H60-A84 VanDerWaalsContact CE1-CB 3.45Å; H60-A84 WeakPolarHBondContact CE1-CB 3.47Å; H60-S85 CarbonylContact C-O 3.16Å; H60-S85 WeakPolarHBondContact CA-O 3.35Å; H60-S85 WeakPolarHBondContact CB-OG 3.49Å; H60-S85 WeakPolarHBondContact ND1-CB 3.4Å; H60-S85 PolarHBondContact ND1-OG 3.34Å; H60-M110 HydrophobicContact CB-CG 4.2Å; H60-M110 HydrophobicContact CB-SD 3.96Å
61V98.9Very high98.7Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-120.8132.2-176.7-62.60000112.3V37 L54 A59 C78 A83 S85 A86 H87V37-V61 WeakPolarHBondContact O-CA 3.29Å; L54-V61 HydrophobicContact CB-CG1 3.71Å; L54-V61 HydrophobicContact CD1-CG1 4.26Å; A59-V61 HydrophobicContact CB-CG1 4.25Å; V61-C78 HydrophobicContact CG2-CB 4.16Å; V61-A83 HydrophobicContact CG2-CB 4.44Å; V61-S85 PolarHBondContact N-O 3.49Å; V61-A86 HydrophobicContact CG2-CB 3.64Å; V61-A86 WeakPolarHBondContact O-CA 3.47Å; V61-H87 PolarHBondContact O-N 3.24Å
62V98.9Very high98.7Very high0 Ų044.3 Ų44.30%021%0.211CC..EExtended strand (participates in β ladder)trans-116.1116165-178.10000108.9V37 I38 V39 H87 I89 F102 A106 M110V37-V62 PolarHBondContact O-N 3.16Å; I38-V62 WeakPolarHBondContact CA-O 3.22Å; I38-V62 HydrophobicContact CG1-CB 4.33Å; V39-V62 PolarHBondContact N-O 2.84Å; V62-H87 WeakPolarHBondContact CA-O 3.41Å; V62-H87 HydrophobicContact CG2-CB 4.31Å; V62-I89 HydrophobicContact CG1-CD1 4.18Å; V62-I89 HydrophobicContact CG1-CG1 4.41Å; V62-F102 HydrophobicContact CG1-CE2 3.94Å; V62-F102 HydrophobicContact CG1-CZ 4.39Å; V62-A106 HydrophobicContact CB-CB 4Å; V62-A106 HydrophobicContact CG1-CB 3.7Å; V62-A106 HydrophobicContact CG2-CB 4.14Å; V62-M110 HydrophobicContact CB-CE 4.35Å; V62-M110 HydrophobicContact CG2-CE 3.85Å; V62-M110 HydrophobicContact CG2-CG 3.72Å; V62-M110 HydrophobicContact CG2-SD 3.7Å
63V98.9Very high98.7Very high0 Ų050 Ų500%024%0.237CC..EExtended strand (participates in β ladder)trans-104143.1-176.9-67.90000111.6V39 A42 A51 L71 V74 V75 H87 Y88 I89V39-V63 HydrophobicContact CB-CG1 4.44Å; V39-V63 WeakPolarHBondContact O-CA 3.44Å; A42-V63 HydrophobicContact CB-CB 3.74Å; A42-V63 HydrophobicContact CB-CG1 3.74Å; A51-V63 HydrophobicContact CB-CG1 3.7Å; V63-L71 HydrophobicContact CB-CD2 4.13Å; V63-L71 HydrophobicContact CG2-CD2 3.89Å; V63-V74 HydrophobicContact CG1-CG1 4.41Å; V63-V74 HydrophobicContact CG2-CG1 4.41Å; V63-V75 HydrophobicContact CG2-CG2 3.58Å; V63-H87 WeakPolarHBondContact CG2-O 3.18Å; V63-H87 PolarHBondContact N-O 3.45Å; V63-Y88 WeakPolarHBondContact O-CA 3.19Å; V63-I89 PolarHBondContact O-N 3.11Å; V63-I89 VanDerWaalsContact O-N 3.14Å
64T98.9Very high98.7Very high1 Ų145.4 Ų45.41%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-137.4146.4175.5-171.80000113.2V39 T40 G41 A42 I89 M93 F102V39-T64 PolarHBondContact O-N 3.47Å; T40-T64 HydrophobicContact CG2-CG2 3.77Å; G41-T64 PolarHBondContact N-O 3.38Å; A42-T64 PolarHBondContact N-O 3.44Å; A42-T64 VanDerWaalsContact N-O 3.11Å; T64-I89 WeakPolarHBondContact CA-O 3.47Å; T64-I89 WeakPolarHBondContact CB-O 3.47Å; T64-I89 PolarHBondContact OG1-O 3.33Å; T64-M93 HydrophobicContact CG2-CE 3.47Å; T64-M93 VanDerWaalsContact CG2-CE 3.47Å; T64-F102 HydrophobicContact CG2-CD1 4.24Å; T64-F102 HydrophobicContact CG2-CD2 4.42Å; T64-F102 HydrophobicContact CG2-CE1 3.6Å; T64-F102 HydrophobicContact CG2-CE2 3.83Å; T64-F102 HydrophobicContact CG2-CZ 3.36Å
65A98.8Very high98.7Very high14 Ų1445.5 Ų45.512%0.11622%0.217CC..EExtended strand (participates in β ladder)trans-170-179.3173.700000107.9S43 L71 A90 G91S43-A65 WeakPolarHBondContact OG-CB 3.45Å; A65-L71 HydrophobicContact CB-CD1 4.13Å; A65-L71 HydrophobicContact CB-CD2 3.95Å; A65-L71 HydrophobicContact CB-CG 4.15Å; A65-L71 WeakPolarHBondContact O-CD1 3.38Å; A65-A90 VanDerWaalsContact O-CA 3.29Å; A65-A90 WeakPolarHBondContact O-CA 3.22Å; A65-G91 CarbonylContact C-O 3.56Å; A65-G91 PolarHBondContact O-N 3.47Å
66R98.4Very high98.7Very high148 Ų14848.4 Ų48.456%0.55824%0.237SC*.SBendtrans-74.7-39.3179.3-65.3174.4-69.2168.1-2.5113.8K68 G91R66-K68 PolarHBondContact O-N 2.95Å; R66-G91 WeakPolarHBondContact CA-O 3.45Å; R66-G91 WeakPolarHBondContact CG-O 3.46Å; R66-G91 PolarHBondContact N-O 3.43Å
67S97.8Very high98.7Very high44 Ų4445.3 Ų45.331%0.30822%0.224SC..  trans-89.4107.3-170.81630000111.6E69 T70 L71S67-E69 VanDerWaalsContact C-N 3.35Å; S67-E69 PolarHBondContact O-N 3.38Å; S67-T70 WeakPolarHBondContact CB-OG1 3.25Å; S67-T70 PolarHBondContact O-N 3.46Å; S67-T70 PolarHBondContact O-OG1 3.14Å; S67-T70 WeakPolarHBondContact OG-CG2 3.22Å; S67-T70 PolarHBondContact OG-N 2.97Å; S67-T70 PolarHBondContact OG-OG1 3.13Å; S67-L71 WeakPolarHBondContact O-CG 3.4Å; S67-L71 PolarHBondContact O-N 3.14Å; S67-L71 VanDerWaalsContact O-N 3.16Å
68K98.3Very high98.7Very high100 Ų10043.4 Ų43.444%0.43522%0.215SC..Hα-helixtrans-60-43.7-179.5174.4173.3179.8-174.90111.8R66 T70 L71 Q72 Y88 A90R66-K68 PolarHBondContact O-N 2.95Å; K68-T70 VanDerWaalsContact C-N 3.32Å; K68-T70 PolarHBondContact O-N 3.31Å; K68-L71 PolarHBondContact O-N 2.86Å; K68-L71 VanDerWaalsContact O-N 3.15Å; K68-Q72 HydrophobicContact CG-CG 4.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.39Å; K68-Q72 PolarHBondContact O-N 3.03Å; K68-Y88 HydrophobicContact CD-CE2 4.41Å; K68-Y88 VanDerWaalsContact CE-OH 3.24Å; K68-Y88 WeakPolarHBondContact CE-OH 3.26Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; K68-A90 HydrophobicContact CB-CB 4.15Å
69E98.3Very high98.7Very high116 Ų11647 Ų4754%0.54223%0.23SC..Hα-helixtrans-63.4-41.4-175-61.467.6-145.400110.6S67 K73S67-E69 VanDerWaalsContact C-N 3.35Å; S67-E69 PolarHBondContact O-N 3.38Å; E69-K73 PolarHBondContact O-N 3.18Å
70T98.2Very high98.7Very high48 Ų4854 Ų5429%0.29426%0.263SS..Hα-helixtrans-70.9-37.217649.50000112.2S43 S67 K68 Q72 K73 V74S43-T70 WeakPolarHBondContact CB-OG1 3.4Å; S67-T70 WeakPolarHBondContact CB-OG1 3.25Å; S67-T70 PolarHBondContact O-N 3.46Å; S67-T70 PolarHBondContact O-OG1 3.14Å; S67-T70 WeakPolarHBondContact OG-CG2 3.22Å; S67-T70 PolarHBondContact OG-N 2.97Å; S67-T70 PolarHBondContact OG-OG1 3.13Å; K68-T70 VanDerWaalsContact C-N 3.32Å; K68-T70 PolarHBondContact O-N 3.31Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-K73 PolarHBondContact O-N 3.07Å; T70-V74 WeakPolarHBondContact O-CG2 3.44Å; T70-V74 PolarHBondContact O-N 2.96Å
71L98.8Very high98.7Very high0 Ų053.7 Ų53.70%026%0.263CS..Hα-helixtrans-66.2-37.5177.6-73.4167.3000111.9V63 A65 S67 K68 K73 V74 V75 Y88 A90V63-L71 HydrophobicContact CB-CD2 4.13Å; V63-L71 HydrophobicContact CG2-CD2 3.89Å; A65-L71 HydrophobicContact CB-CD1 4.13Å; A65-L71 HydrophobicContact CB-CD2 3.95Å; A65-L71 HydrophobicContact CB-CG 4.15Å; A65-L71 WeakPolarHBondContact O-CD1 3.38Å; S67-L71 WeakPolarHBondContact O-CG 3.4Å; S67-L71 PolarHBondContact O-N 3.14Å; S67-L71 VanDerWaalsContact O-N 3.16Å; K68-L71 PolarHBondContact O-N 2.86Å; K68-L71 VanDerWaalsContact O-N 3.15Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 3.39Å; L71-V74 PolarHBondContact O-N 3.11Å; L71-V75 PolarHBondContact O-N 2.8Å; L71-Y88 HydrophobicContact CB-CD2 3.92Å; L71-Y88 HydrophobicContact CB-CG 3.8Å; L71-Y88 HydrophobicContact CD1-CD2 4.15Å; L71-A90 HydrophobicContact CD1-CB 4Å
72Q98.8Very high98.7Very high79 Ų7955.8 Ų55.837%0.36928%0.284SS..Hα-helixtrans-58.4-42.9173.5-74.5172.7-20.200111.8K68 T70 V75 S76 Y88K68-Q72 HydrophobicContact CG-CG 4.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.39Å; K68-Q72 PolarHBondContact O-N 3.03Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; Q72-V75 PolarHBondContact O-N 3.37Å; Q72-S76 WeakPolarHBondContact O-CB 3.43Å; Q72-S76 PolarHBondContact O-N 3.32Å; Q72-S76 PolarHBondContact O-OG 3.01Å; Q72-Y88 HydrophobicContact CB-CE1 4.45Å; Q72-Y88 HydrophobicContact CG-CD1 4.24Å; Q72-Y88 HydrophobicContact CG-CE1 3.45Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.45Å; Q72-Y88 HydrophobicContact CG-CE2 4.38Å; Q72-Y88 PolarHBondContact NE2-OH 2.68Å; Q72-Y88 VanDerWaalsContact NE2-OH 3.08Å
73K98.8Very high98.7Very high152 Ų15256.4 Ų56.466%0.66129%0.289SS*.Hα-helixtrans-63.3-43175-66.4177.1-177.9-177.20111.8E69 T70 L71 S76 H77E69-K73 PolarHBondContact O-N 3.18Å; T70-K73 PolarHBondContact O-N 3.07Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 3.39Å; K73-S76 PolarHBondContact O-N 3Å; K73-H77 PolarHBondContact O-N 2.87Å
74V98.9Very high98.7Very high2 Ų259.1 Ų59.11%0.01231%0.312CS..Hα-helixtrans-62.5-47.8177.4172.60000111R48 A51 Y52 V63 T70 L71 S76 H77 C78R48-V74 HydrophobicContact CG-CG1 4.41Å; R48-V74 HydrophobicContact CG-CG2 3.8Å; A51-V74 HydrophobicContact CB-CG1 4.21Å; Y52-V74 HydrophobicContact CE1-CB 4.4Å; Y52-V74 HydrophobicContact CE1-CG1 3.9Å; V63-V74 HydrophobicContact CG1-CG1 4.41Å; V63-V74 HydrophobicContact CG2-CG1 4.41Å; T70-V74 WeakPolarHBondContact O-CG2 3.44Å; T70-V74 PolarHBondContact O-N 2.96Å; L71-V74 PolarHBondContact O-N 3.11Å; V74-S76 PolarHBondContact O-N 3.42Å; V74-H77 PolarHBondContact O-N 3.43Å; V74-C78 PolarHBondContact O-N 3.45Å; V74-C78 PolarHBondContact O-SG 3.1Å; V74-C78 VanDerWaalsContact O-SG 3.33Å
75V98.9Very high98.7Very high16 Ų1660.1 Ų60.110%0.09732%0.319CS..Hα-helixtrans-60.7-45.6177.7162.90000111.7V63 L71 Q72 H77 C78 L79 A86 Y88V63-V75 HydrophobicContact CG2-CG2 3.58Å; L71-V75 PolarHBondContact O-N 2.8Å; Q72-V75 PolarHBondContact O-N 3.37Å; V75-H77 VanDerWaalsContact C-N 3.29Å; V75-H77 PolarHBondContact O-N 3.33Å; V75-C78 WeakPolarHBondContact O-CB 3.31Å; V75-C78 PolarHBondContact O-N 2.81Å; V75-L79 HydrophobicContact CG1-CD1 4.32Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.28Å; V75-A86 HydrophobicContact CB-CB 4.44Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.14Å; V75-A86 HydrophobicContact CG2-CB 4.43Å; V75-Y88 HydrophobicContact CB-CD1 4.42Å; V75-Y88 HydrophobicContact CG2-CD1 3.98Å; V75-Y88 HydrophobicContact CG2-CG 4.4Å
76S98.8Very high98.7Very high61 Ų6159.9 Ų59.943%0.42732%0.317SS..Hα-helixtrans-57.5-46.1177.9-54.70000110.7Q72 K73 V74 L79 E80Q72-S76 WeakPolarHBondContact O-CB 3.43Å; Q72-S76 PolarHBondContact O-N 3.32Å; Q72-S76 PolarHBondContact O-OG 3.01Å; K73-S76 PolarHBondContact O-N 3Å; V74-S76 PolarHBondContact O-N 3.42Å; S76-L79 PolarHBondContact O-N 3.3Å; S76-E80 WeakPolarHBondContact O-CG 3.26Å; S76-E80 PolarHBondContact O-N 2.87Å; S76-E80 VanDerWaalsContact O-N 3.12Å
77H98.9Very high98.7Very high64 Ų6456 Ų5630%0.29631%0.305SS..Hα-helixtrans-69.4-35.7178.3-162.757.7000113.3Y52 K73 V74 V75 L79 E80 L81Y52-H77 AromaticContact CD1-CD2 3.84Å; Y52-H77 AromaticContact CD2-CD2 3.98Å; Y52-H77 HydrophobicContact CE1-CB 3.82Å; Y52-H77 AromaticContact CE1-CD2 3.55Å; Y52-H77 AromaticContact CE2-CD2 3.68Å; Y52-H77 AromaticContact CZ-CD2 3.44Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.44Å; K73-H77 PolarHBondContact O-N 2.87Å; V74-H77 PolarHBondContact O-N 3.43Å; V75-H77 VanDerWaalsContact C-N 3.29Å; V75-H77 PolarHBondContact O-N 3.33Å; H77-L79 VanDerWaalsContact C-N 3.28Å; H77-L79 PolarHBondContact O-N 3.36Å; H77-E80 IonicContact CE1-OE2 2.91Å; H77-E80 IonicContact CG-OE2 3.01Å; H77-E80 IonicContact ND1-OE2 3.89Å; H77-E80 PolarHBondContact ND1-OE2 3.02Å; H77-E80 PolarHBondContact O-N 3.06Å; H77-L81 WeakPolarHBondContact O-CB 3.28Å; H77-L81 VanDerWaalsContact O-CG 3.26Å; H77-L81 WeakPolarHBondContact O-CG 3.35Å; H77-L81 PolarHBondContact O-N 3.16Å
78C98.9Very high98.7Very high0 Ų057.2 Ų57.20%030%0.303CS..Hα-helixtrans-58.8-40.3172.3-74.60000111.6A51 A55 V61 V74 V75 L81 G82 A83 A86A51-C78 PolarHBondContact O-SG 2.93Å; A55-C78 HydrophobicContact CB-CB 3.81Å; A55-C78 WeakPolarHBondContact CB-O 3.01Å; V61-C78 HydrophobicContact CG2-CB 4.16Å; V74-C78 PolarHBondContact O-N 3.45Å; V74-C78 PolarHBondContact O-SG 3.1Å; V74-C78 VanDerWaalsContact O-SG 3.33Å; V75-C78 WeakPolarHBondContact O-CB 3.31Å; V75-C78 PolarHBondContact O-N 2.81Å; C78-L81 PolarHBondContact O-N 3.24Å; C78-G82 PolarHBondContact O-N 3.48Å; C78-A83 HydrophobicContact CB-CB 4.24Å; C78-A83 WeakPolarHBondContact O-CB 3.27Å; C78-A83 PolarHBondContact O-N 3.37Å; C78-A86 HydrophobicContact CB-CB 3.79Å
79L98.9Very high98.8Very high90 Ų9053.1 Ų53.147%0.47129%0.286SS..Hα-helixtrans-65.7-44.2176.3-65169.5000111.4V75 S76 H77 L81 G82 A86V75-L79 HydrophobicContact CG1-CD1 4.32Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.28Å; S76-L79 PolarHBondContact O-N 3.3Å; H77-L79 VanDerWaalsContact C-N 3.28Å; H77-L79 PolarHBondContact O-N 3.36Å; L79-L81 PolarHBondContact O-N 3.45Å; L79-G82 PolarHBondContact O-N 2.87Å; L79-G82 VanDerWaalsContact O-N 3.12Å; L79-A86 HydrophobicContact CD2-CB 3.87Å; L79-A86 HydrophobicContact CG-CB 3.97Å
80E98.8Very high98.8Very high148 Ų14849.5 Ų49.569%0.69228%0.276SS*.Hα-helixtrans-58.6-35.3175.1-68.9166.2-175.900112.6S76 H77 G82S76-E80 WeakPolarHBondContact O-CG 3.26Å; S76-E80 PolarHBondContact O-N 2.87Å; S76-E80 VanDerWaalsContact O-N 3.12Å; H77-E80 IonicContact CE1-OE2 2.91Å; H77-E80 IonicContact CG-OE2 3.01Å; H77-E80 IonicContact ND1-OE2 3.89Å; H77-E80 PolarHBondContact ND1-OE2 3.02Å; H77-E80 PolarHBondContact O-N 3.06Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 3.47Å
81L98.8Very high98.8Very high45 Ų4548.1 Ų48.124%0.23627%0.271CS..THydrogen-bonded Turntrans-77.7-6.2179.6-72.1177000114.4Y52 A55 K56 H77 C78 L79Y52-L81 HydrophobicContact CD1-CD1 4.04Å; Y52-L81 HydrophobicContact CG-CD1 3.89Å; A55-L81 HydrophobicContact CB-CB 3.92Å; K56-L81 WeakPolarHBondContact CA-O 2.99Å; K56-L81 HydrophobicContact CD-CD2 4.47Å; K56-L81 HydrophobicContact CG-CB 4.06Å; K56-L81 HydrophobicContact CG-CD1 4.29Å; K56-L81 HydrophobicContact CG-CD2 4.06Å; K56-L81 HydrophobicContact CG-CG 4.37Å; H77-L81 WeakPolarHBondContact O-CB 3.28Å; H77-L81 VanDerWaalsContact O-CG 3.26Å; H77-L81 WeakPolarHBondContact O-CG 3.35Å; H77-L81 PolarHBondContact O-N 3.16Å; C78-L81 PolarHBondContact O-N 3.24Å; L79-L81 PolarHBondContact O-N 3.45Å
82G98.7Very high98.8Very high44 Ų4450.3 Ų50.345%0.45428%0.284SS..THydrogen-bonded Turntrans100.719.6176.600000115.5A55 C78 L79 E80 A84A55-G82 CarbonylContact O-C 3.44Å; C78-G82 PolarHBondContact O-N 3.48Å; L79-G82 PolarHBondContact O-N 2.87Å; L79-G82 VanDerWaalsContact O-N 3.12Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 3.47Å; G82-A84 PolarHBondContact O-N 3.42Å
83A98.8Very high98.8Very high12 Ų1247.1 Ų47.110%0.09927%0.27CS..  trans-56.3137.5171.200000110.8A55 V61 C78 S85 A86A55-A83 HydrophobicContact CB-CB 3.77Å; A55-A83 PolarHBondContact O-N 3.14Å; V61-A83 HydrophobicContact CG2-CB 4.44Å; C78-A83 HydrophobicContact CB-CB 4.24Å; C78-A83 WeakPolarHBondContact O-CB 3.27Å; C78-A83 PolarHBondContact O-N 3.37Å; A83-S85 PolarHBondContact O-N 3.01Å; A83-A86 HydrophobicContact CB-CB 4.38Å
84A98.8Very high98.8Very high57 Ų5743.5 Ų43.547%0.47126%0.255SS..SBendtrans-64.3-33.9176.100000111.7G58 A59 H60 G82G58-A84 WeakPolarHBondContact O-CB 3.48Å; A59-A84 PolarHBondContact O-N 2.79Å; H60-A84 VanDerWaalsContact CE1-CB 3.45Å; H60-A84 WeakPolarHBondContact CE1-CB 3.47Å; G82-A84 PolarHBondContact O-N 3.42Å
85S98.9Very high98.8Very high23 Ų2346.9 Ų46.916%0.16127%0.273CS..EExtended strand (participates in β ladder)trans-157.1153.7161.567.70000109.7H60 V61 A83H60-S85 CarbonylContact C-O 3.16Å; H60-S85 WeakPolarHBondContact CA-O 3.35Å; H60-S85 WeakPolarHBondContact CB-OG 3.49Å; H60-S85 WeakPolarHBondContact ND1-CB 3.4Å; H60-S85 PolarHBondContact ND1-OG 3.34Å; V61-S85 PolarHBondContact N-O 3.49Å; A83-S85 PolarHBondContact O-N 3.01Å
86A98.9Very high98.8Very high8 Ų848.3 Ų48.37%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-137.6129.1173.300000111V61 V75 C78 L79 A83V61-A86 HydrophobicContact CG2-CB 3.64Å; V61-A86 WeakPolarHBondContact O-CA 3.47Å; V75-A86 HydrophobicContact CB-CB 4.44Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.14Å; V75-A86 HydrophobicContact CG2-CB 4.43Å; C78-A86 HydrophobicContact CB-CB 3.79Å; L79-A86 HydrophobicContact CD2-CB 3.87Å; L79-A86 HydrophobicContact CG-CB 3.97Å; A83-A86 HydrophobicContact CB-CB 4.38Å
87H98.9Very high98.8Very high68 Ų6849 Ų4932%0.31528%0.281SS..EExtended strand (participates in β ladder)trans-133.9160.6175.9-55.1-82.1000110.6V61 V62 V63 L109V61-H87 PolarHBondContact O-N 3.24Å; V62-H87 WeakPolarHBondContact CA-O 3.41Å; V62-H87 HydrophobicContact CG2-CB 4.31Å; V63-H87 WeakPolarHBondContact CG2-O 3.18Å; V63-H87 PolarHBondContact N-O 3.45Å; H87-L109 HydrophobicContact CB-CD1 3.96Å
88Y98.9Very high98.7Very high69 Ų6947.3 Ų47.327%0.27127%0.273SS..EExtended strand (participates in β ladder)trans-129.5152.5170.872.2-87.2000111.5V63 K68 L71 Q72 V75V63-Y88 WeakPolarHBondContact O-CA 3.19Å; K68-Y88 HydrophobicContact CD-CE2 4.41Å; K68-Y88 VanDerWaalsContact CE-OH 3.24Å; K68-Y88 WeakPolarHBondContact CE-OH 3.26Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; L71-Y88 HydrophobicContact CB-CD2 3.92Å; L71-Y88 HydrophobicContact CB-CG 3.8Å; L71-Y88 HydrophobicContact CD1-CD2 4.15Å; Q72-Y88 HydrophobicContact CB-CE1 4.45Å; Q72-Y88 HydrophobicContact CG-CD1 4.24Å; Q72-Y88 HydrophobicContact CG-CE1 3.45Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.45Å; Q72-Y88 HydrophobicContact CG-CE2 4.38Å; Q72-Y88 PolarHBondContact NE2-OH 2.68Å; Q72-Y88 VanDerWaalsContact NE2-OH 3.08Å; V75-Y88 HydrophobicContact CB-CD1 4.42Å; V75-Y88 HydrophobicContact CG2-CD1 3.98Å; V75-Y88 HydrophobicContact CG2-CG 4.4Å
89I98.8Very high98.7Very high14 Ų1447.3 Ų47.37%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-133.8118.4169.4-57.7168.1000106.5V62 V63 T64 F98 F102 Q105 A106 L109V62-I89 HydrophobicContact CG1-CD1 4.18Å; V62-I89 HydrophobicContact CG1-CG1 4.41Å; V63-I89 PolarHBondContact O-N 3.11Å; V63-I89 VanDerWaalsContact O-N 3.14Å; T64-I89 WeakPolarHBondContact CA-O 3.47Å; T64-I89 WeakPolarHBondContact CB-O 3.47Å; T64-I89 PolarHBondContact OG1-O 3.33Å; I89-F98 HydrophobicContact CG2-CE2 3.91Å; I89-F98 HydrophobicContact CG2-CZ 4.18Å; I89-F102 HydrophobicContact CB-CD2 3.71Å; I89-F102 HydrophobicContact CB-CE2 3.98Å; I89-F102 HydrophobicContact CD1-CD2 3.69Å; I89-F102 HydrophobicContact CD1-CE2 3.95Å; I89-F102 HydrophobicContact CG1-CD2 4.25Å; I89-F102 HydrophobicContact CG1-CE2 4.38Å; I89-F102 HydrophobicContact CG2-CD2 3.98Å; I89-Q105 HydrophobicContact CD1-CB 3.78Å; I89-Q105 HydrophobicContact CD1-CG 3.67Å; I89-A106 HydrophobicContact CD1-CB 4.34Å; I89-L109 HydrophobicContact CD1-CD1 4.21Å
90A98.8Very high98.7Very high40 Ų4048.6 Ų48.633%0.33128%0.277SS..EExtended strand (participates in β ladder)trans-91.8137.1-176.700000110.8A65 K68 L71 F98A65-A90 VanDerWaalsContact O-CA 3.29Å; A65-A90 WeakPolarHBondContact O-CA 3.22Å; K68-A90 HydrophobicContact CB-CB 4.15Å; L71-A90 HydrophobicContact CD1-CB 4Å; A90-F98 WeakPolarHBondContact O-CE2 3.07Å
91G98.6Very high98.7Very high19 Ų1947.3 Ų47.320%0.19627%0.271CS..  trans175.2177.1174.900000112.5A65 R66A65-G91 CarbonylContact C-O 3.56Å; A65-G91 PolarHBondContact O-N 3.47Å; R66-G91 WeakPolarHBondContact CA-O 3.45Å; R66-G91 WeakPolarHBondContact CG-O 3.46Å; R66-G91 PolarHBondContact N-O 3.43Å
92T98.6Very high98.7Very high45 Ų4545.2 Ų45.228%0.27626%0.26SS..  trans-103.4137.6-179.8-171.60000110.8E94 D95 F98T92-E94 HydrophobicContact CG2-CB 4.12Å; T92-E94 PolarHBondContact O-N 3.42Å; T92-E94 PolarHBondContact OG1-N 3.24Å; T92-D95 HydrophobicContact CG2-CB 3.96Å; T92-D95 PolarHBondContact O-N 3.43Å; T92-F98 WeakPolarHBondContact O-CD1 3.34Å
93M98.7Very high98.7Very high13 Ų1343.1 Ų43.16%0.06424%0.238CC..THydrogen-bonded Turntrans-84.35.2174.6-62.7-67.8-176.500112.4T40 T64 M96 F98 A99 F102 H120 V142 S146 L150T40-M93 HydrophobicContact CG2-CE 4.01Å; T64-M93 HydrophobicContact CG2-CE 3.47Å; T64-M93 VanDerWaalsContact CG2-CE 3.47Å; M93-M96 WeakPolarHBondContact O-CE 3.41Å; M93-F98 HydrophobicContact CE-CE1 3.95Å; M93-F98 HydrophobicContact SD-CD1 4.22Å; M93-F98 HydrophobicContact SD-CE1 4.14Å; M93-A99 HydrophobicContact SD-CB 3.97Å; M93-F102 HydrophobicContact CE-CD1 4.05Å; M93-F102 HydrophobicContact CE-CE1 4.32Å; M93-H120 VanDerWaalsContact CB-CD2 3.49Å; M93-H120 WeakPolarHBondContact CB-CD2 3.47Å; M93-H120 WeakPolarHBondContact CB-NE2 3.28Å; M93-H120 VanDerWaalsContact CG-NE2 3.26Å; M93-H120 WeakPolarHBondContact CG-NE2 3.15Å; M93-V142 HydrophobicContact CB-CG1 4.43Å; M93-S146 WeakPolarHBondContact O-CB 3.27Å; M93-L150 HydrophobicContact CE-CD1 4.15Å; M93-L150 HydrophobicContact CE-CD2 4.2Å; M93-L150 HydrophobicContact SD-CD1 4.06Å; M93-L150 HydrophobicContact SD-CD2 4.34Å
94E98.4Very high98.6Very high76 Ų7645.7 Ų45.736%0.35526%0.259SS..THydrogen-bonded Turntrans-70.9-24.2161.9-63.9174.1-12400110.9T92 K138 V142T92-E94 HydrophobicContact CG2-CB 4.12Å; T92-E94 PolarHBondContact O-N 3.42Å; T92-E94 PolarHBondContact OG1-N 3.24Å; E94-K138 WeakPolarHBondContact OE1-CE 3.21Å; E94-K138 IonicContact OE1-NZ 2.67Å; E94-K138 PolarHBondContact OE1-NZ 3.16Å; E94-K138 WeakPolarHBondContact OE2-CE 3.28Å; E94-K138 IonicContact OE2-NZ 3.79Å; E94-K138 PolarHBondContact OE2-NZ 3.31Å; E94-V142 HydrophobicContact CB-CG2 4.29Å; E94-V142 HydrophobicContact CG-CG2 3.35Å
95D98.6Very high98.6Very high73 Ų7348 Ų4839%0.3926%0.26SS..  trans-97.3109.5177.8178.2-5.7000109.9T92 T97 F98 A99T92-D95 HydrophobicContact CG2-CB 3.96Å; T92-D95 PolarHBondContact O-N 3.43Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.06Å; D95-T97 WeakPolarHBondContact OD1-CA 3.37Å; D95-T97 VanDerWaalsContact OD1-CB 3.28Å; D95-T97 WeakPolarHBondContact OD1-CB 3.47Å; D95-T97 PolarHBondContact OD1-N 3.26Å; D95-F98 HydrophobicContact CB-CB 3.88Å; D95-F98 WeakPolarHBondContact O-CB 3.4Å; D95-F98 PolarHBondContact O-N 3.46Å; D95-F98 PolarHBondContact OD1-N 3.11Å; D95-F98 VanDerWaalsContact OD1-N 3.08Å; D95-A99 PolarHBondContact O-N 3.32Å
96M98.6Very high98.6Very high45 Ų4546.9 Ų46.922%0.22225%0.252CS..Hα-helixtrans-69.8-27.8-179.6-60-58130.100112.6M93 A99 E100 E141 L145 V149M93-M96 WeakPolarHBondContact O-CE 3.41Å; M96-A99 PolarHBondContact O-N 3.4Å; M96-E100 PolarHBondContact O-N 2.98Å; M96-E100 VanDerWaalsContact O-N 3.08Å; M96-E141 HydrophobicContact CE-CB 4.45Å; M96-L145 HydrophobicContact SD-CD2 4.41Å; M96-L145 HydrophobicContact SD-CG 4.17Å; M96-V149 HydrophobicContact CB-CG2 4.36Å; M96-V149 HydrophobicContact CG-CG2 4.4Å; M96-V149 HydrophobicContact SD-CB 4.37Å; M96-V149 HydrophobicContact SD-CG2 3.82Å
97T98.6Very high98.6Very high77 Ų7746.7 Ų46.747%0.47225%0.252SS..Hα-helixtrans-68.8-41.6173.8-60.40000110.2D95 E100 Q101D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.06Å; D95-T97 WeakPolarHBondContact OD1-CA 3.37Å; D95-T97 VanDerWaalsContact OD1-CB 3.28Å; D95-T97 WeakPolarHBondContact OD1-CB 3.47Å; D95-T97 PolarHBondContact OD1-N 3.26Å; T97-E100 PolarHBondContact O-N 2.87Å; T97-Q101 HydrophobicContact CG2-CG 4.41Å; T97-Q101 WeakPolarHBondContact O-CB 3.3Å; T97-Q101 VanDerWaalsContact O-CG 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.2Å; T97-Q101 PolarHBondContact O-N 3.27Å
98F98.8Very high98.6Very high27 Ų2752.2 Ų52.212%0.11827%0.274CS..Hα-helixtrans-59.3-46.9171.1171-98.3000111.5I89 A90 T92 M93 D95 E100 Q101 F102I89-F98 HydrophobicContact CG2-CE2 3.91Å; I89-F98 HydrophobicContact CG2-CZ 4.18Å; A90-F98 WeakPolarHBondContact O-CE2 3.07Å; T92-F98 WeakPolarHBondContact O-CD1 3.34Å; M93-F98 HydrophobicContact CE-CE1 3.95Å; M93-F98 HydrophobicContact SD-CD1 4.22Å; M93-F98 HydrophobicContact SD-CE1 4.14Å; D95-F98 HydrophobicContact CB-CB 3.88Å; D95-F98 WeakPolarHBondContact O-CB 3.4Å; D95-F98 PolarHBondContact O-N 3.46Å; D95-F98 PolarHBondContact OD1-N 3.11Å; D95-F98 VanDerWaalsContact OD1-N 3.08Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 2.87Å; F98-Q101 PolarHBondContact O-N 3.41Å; F98-F102 HydrophobicContact CE1-CB 4.22Å; F98-F102 HydrophobicContact CE2-CB 4.34Å; F98-F102 HydrophobicContact CZ-CB 4.05Å; F98-F102 HydrophobicContact CZ-CD2 4.46Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.14Å; F98-F102 PolarHBondContact O-N 2.83Å
99A98.6Very high98.6Very high0 Ų052.4 Ų52.40%028%0.28CS..Hα-helixtrans-56.3-45.6-179.800000112M93 D95 M96 V149 L150M93-A99 HydrophobicContact SD-CB 3.97Å; D95-A99 PolarHBondContact O-N 3.32Å; M96-A99 PolarHBondContact O-N 3.4Å; A99-V149 HydrophobicContact CB-CG1 3.97Å; A99-L150 HydrophobicContact CB-CD2 4.02Å; A99-L150 HydrophobicContact CB-CG 4.15Å; A99-L150 VanDerWaalsContact O-CD2 3.27Å; A99-L150 WeakPolarHBondContact O-CD2 3.4Å
100E98.2Very high98.6Very high118 Ų11852.5 Ų52.555%0.55128%0.28SS*.Hα-helixtrans-63.5-51.9176.2-176.4-179.8-171.700112.2M96 T97 F98 F102 V103 A104 V149 A153M96-E100 PolarHBondContact O-N 2.98Å; M96-E100 VanDerWaalsContact O-N 3.08Å; T97-E100 PolarHBondContact O-N 2.87Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 2.87Å; E100-F102 VanDerWaalsContact C-N 3.3Å; E100-F102 PolarHBondContact O-N 2.85Å; E100-V103 PolarHBondContact O-N 3.07Å; E100-A104 PolarHBondContact O-N 2.82Å; E100-V149 HydrophobicContact CB-CG1 4.19Å; E100-A153 HydrophobicContact CG-CB 4.38Å
101Q98.4Very high98.5Very high121 Ų12153.2 Ų53.257%0.56529%0.292SS*.Hα-helixtrans-64.2-35.9-177.5-70.7177.32.800112.6T97 F98 V103 A104 Q105T97-Q101 HydrophobicContact CG2-CG 4.41Å; T97-Q101 WeakPolarHBondContact O-CB 3.3Å; T97-Q101 VanDerWaalsContact O-CG 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.2Å; T97-Q101 PolarHBondContact O-N 3.27Å; F98-Q101 PolarHBondContact O-N 3.41Å; Q101-V103 VanDerWaalsContact C-N 3.34Å; Q101-V103 PolarHBondContact O-N 2.97Å; Q101-A104 PolarHBondContact O-N 3.12Å; Q101-Q105 WeakPolarHBondContact O-CB 3.39Å; Q101-Q105 PolarHBondContact O-N 3.16Å
102F98.8Very high98.5Very high1 Ų153.2 Ų53.20%0.00429%0.291CS..Hα-helixtrans-55.5-48.4177.5161.8-112.4000111.5I38 T40 V62 T64 I89 M93 F98 E100 Q105 A106 L150I38-F102 HydrophobicContact CD1-CE1 4.41Å; I38-F102 HydrophobicContact CD1-CZ 4.48Å; I38-F102 HydrophobicContact CG1-CZ 4.4Å; I38-F102 HydrophobicContact CG2-CE1 3.59Å; I38-F102 HydrophobicContact CG2-CZ 3.62Å; T40-F102 HydrophobicContact CG2-CE1 4.32Å; V62-F102 HydrophobicContact CG1-CE2 3.94Å; V62-F102 HydrophobicContact CG1-CZ 4.39Å; T64-F102 HydrophobicContact CG2-CD1 4.24Å; T64-F102 HydrophobicContact CG2-CD2 4.42Å; T64-F102 HydrophobicContact CG2-CE1 3.6Å; T64-F102 HydrophobicContact CG2-CE2 3.83Å; T64-F102 HydrophobicContact CG2-CZ 3.36Å; I89-F102 HydrophobicContact CB-CD2 3.71Å; I89-F102 HydrophobicContact CB-CE2 3.98Å; I89-F102 HydrophobicContact CD1-CD2 3.69Å; I89-F102 HydrophobicContact CD1-CE2 3.95Å; I89-F102 HydrophobicContact CG1-CD2 4.25Å; I89-F102 HydrophobicContact CG1-CE2 4.38Å; I89-F102 HydrophobicContact CG2-CD2 3.98Å; M93-F102 HydrophobicContact CE-CD1 4.05Å; M93-F102 HydrophobicContact CE-CE1 4.32Å; F98-F102 HydrophobicContact CE1-CB 4.22Å; F98-F102 HydrophobicContact CE2-CB 4.34Å; F98-F102 HydrophobicContact CZ-CB 4.05Å; F98-F102 HydrophobicContact CZ-CD2 4.46Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.14Å; F98-F102 PolarHBondContact O-N 2.83Å; E100-F102 VanDerWaalsContact C-N 3.3Å; E100-F102 PolarHBondContact O-N 2.85Å; F102-Q105 PolarHBondContact O-N 2.84Å; F102-A106 HydrophobicContact CE2-CB 4.28Å; F102-A106 HydrophobicContact CZ-CB 4.49Å; F102-A106 VanDerWaalsContact O-CB 3.26Å; F102-A106 WeakPolarHBondContact O-CB 3.33Å; F102-A106 PolarHBondContact O-N 3.47Å; F102-L150 HydrophobicContact CD1-CD2 3.73Å; F102-L150 HydrophobicContact CE1-CD2 4.28Å
103V98.7Very high98.5Very high0 Ų051.1 Ų51.10%028%0.279CS..Hα-helixtrans-66.1-41.8-178174.40000111I38 E100 Q101 Q105 A106 G107 L150 A153 A154 M157I38-V103 HydrophobicContact CD1-CG1 4.49Å; E100-V103 PolarHBondContact O-N 3.07Å; Q101-V103 VanDerWaalsContact C-N 3.34Å; Q101-V103 PolarHBondContact O-N 2.97Å; V103-Q105 PolarHBondContact O-N 2.64Å; V103-A106 PolarHBondContact O-N 3.41Å; V103-G107 PolarHBondContact O-N 2.82Å; V103-L150 HydrophobicContact CG2-CB 4.36Å; V103-L150 HydrophobicContact CG2-CD2 3.46Å; V103-L150 VanDerWaalsContact CG2-CD2 3.46Å; V103-A153 HydrophobicContact CB-CB 3.84Å; V103-A153 HydrophobicContact CG1-CB 3.98Å; V103-A153 HydrophobicContact CG2-CB 4.25Å; V103-A154 HydrophobicContact CG1-CB 3.79Å; V103-M157 HydrophobicContact CG1-CE 3.72Å
104A98.3Very high98.6Very high65 Ų6551.7 Ų51.754%0.53728%0.282SS..Hα-helixtrans-61.5-44.7176.500000111.7E100 Q101 G107 K108E100-A104 PolarHBondContact O-N 2.82Å; Q101-A104 PolarHBondContact O-N 3.12Å; A104-G107 PolarHBondContact O-N 2.95Å; A104-K108 PolarHBondContact O-N 3.08Å
105Q98.7Very high98.6Very high105 Ų10549.9 Ų49.949%0.49127%0.274SS..Hα-helixtrans-67.3-42.3178.3-172.6179.66.500112I89 Q101 F102 V103 K108 L109I89-Q105 HydrophobicContact CD1-CB 3.78Å; I89-Q105 HydrophobicContact CD1-CG 3.67Å; Q101-Q105 WeakPolarHBondContact O-CB 3.39Å; Q101-Q105 PolarHBondContact O-N 3.16Å; F102-Q105 PolarHBondContact O-N 2.84Å; V103-Q105 PolarHBondContact O-N 2.64Å; Q105-K108 PolarHBondContact O-N 3.3Å; Q105-L109 WeakPolarHBondContact O-CG 3.31Å; Q105-L109 PolarHBondContact O-N 3.46Å
106A98.8Very high98.6Very high0 Ų046.4 Ų46.40%026%0.255CS..Hα-helixtrans-61.7-43.8175.900000111.9I38 V62 I89 F102 V103 K108 L109 M110I38-A106 HydrophobicContact CD1-CB 3.54Å; I38-A106 HydrophobicContact CG1-CB 3.87Å; V62-A106 HydrophobicContact CB-CB 4Å; V62-A106 HydrophobicContact CG1-CB 3.7Å; V62-A106 HydrophobicContact CG2-CB 4.14Å; I89-A106 HydrophobicContact CD1-CB 4.34Å; F102-A106 HydrophobicContact CE2-CB 4.28Å; F102-A106 HydrophobicContact CZ-CB 4.49Å; F102-A106 VanDerWaalsContact O-CB 3.26Å; F102-A106 WeakPolarHBondContact O-CB 3.33Å; F102-A106 PolarHBondContact O-N 3.47Å; V103-A106 PolarHBondContact O-N 3.41Å; A106-K108 VanDerWaalsContact C-N 3.32Å; A106-K108 PolarHBondContact O-N 2.85Å; A106-L109 PolarHBondContact O-N 3.03Å; A106-M110 PolarHBondContact O-N 3.08Å; A106-M110 VanDerWaalsContact O-N 3.12Å
107G98.1Very high98.6Very high5 Ų544.7 Ų44.75%0.05225%0.247CC..Hα-helixtrans-60.2-39.7174.900000112.8V103 A104 G111 G112 M157V103-G107 PolarHBondContact O-N 2.82Å; A104-G107 PolarHBondContact O-N 2.95Å; G107-G111 CarbonylContact O-C 3.57Å; G107-G111 VanDerWaalsContact O-CA 3.31Å; G107-G111 WeakPolarHBondContact O-CA 3.38Å; G107-G111 PolarHBondContact O-N 3.45Å; G107-G112 PolarHBondContact O-N 3.49Å; G107-M157 VanDerWaalsContact CA-SD 3.55Å
108K98.6Very high98.6Very high183 Ų18341.1 Ų41.180%0.79623%0.225SC*.Hα-helixtrans-65.3-41.5174.7-173.3178.5179.7-179.90112.4A104 Q105 A106 G111A104-K108 PolarHBondContact O-N 3.08Å; Q105-K108 PolarHBondContact O-N 3.3Å; A106-K108 VanDerWaalsContact C-N 3.32Å; A106-K108 PolarHBondContact O-N 2.85Å; K108-G111 PolarHBondContact O-N 2.94Å
109L98.5Very high98.6Very high74 Ų7440.8 Ų40.839%0.38723%0.225SC..Hα-helixtrans-63.2-40.2179.3-72.7168.3000112.3H87 I89 Q105 A106H87-L109 HydrophobicContact CB-CD1 3.96Å; I89-L109 HydrophobicContact CD1-CD1 4.21Å; Q105-L109 WeakPolarHBondContact O-CG 3.31Å; Q105-L109 PolarHBondContact O-N 3.46Å; A106-L109 PolarHBondContact O-N 3.03Å
110M98.6Very high98.6Very high15 Ų1541.5 Ų41.57%0.07423%0.228CC..Hα-helixtrans-93.3-10.2-178.6-63-171.5-68.300113.7K36 I38 H60 V62 A106 L113K36-M110 HydrophobicContact CB-CB 4Å; K36-M110 HydrophobicContact CB-CE 4.09Å; K36-M110 HydrophobicContact CB-SD 3.8Å; K36-M110 HydrophobicContact CD-CB 4.11Å; K36-M110 VanDerWaalsContact CD-O 3.27Å; K36-M110 WeakPolarHBondContact CD-O 3.36Å; K36-M110 WeakPolarHBondContact CE-O 3.35Å; K36-M110 HydrophobicContact CG-CB 3.95Å; K36-M110 PolarHBondContact NZ-O 3.38Å; I38-M110 HydrophobicContact CG1-CE 3.99Å; H60-M110 HydrophobicContact CB-CG 4.2Å; H60-M110 HydrophobicContact CB-SD 3.96Å; V62-M110 HydrophobicContact CB-CE 4.35Å; V62-M110 HydrophobicContact CG2-CE 3.85Å; V62-M110 HydrophobicContact CG2-CG 3.72Å; V62-M110 HydrophobicContact CG2-SD 3.7Å; A106-M110 PolarHBondContact O-N 3.08Å; A106-M110 VanDerWaalsContact O-N 3.12Å; M110-L113 HydrophobicContact CE-CD1 3.71Å
111G98.3Very high98.7Very high56 Ų5641 Ų4158%0.57723%0.228SC*.THydrogen-bonded Turntrans64.640-172.300000112.8K36 G107 K108K36-G111 PolarHBondContact NZ-O 2.85Å; G107-G111 CarbonylContact O-C 3.57Å; G107-G111 VanDerWaalsContact O-CA 3.31Å; G107-G111 WeakPolarHBondContact O-CA 3.38Å; G107-G111 PolarHBondContact O-N 3.45Å; K108-G111 PolarHBondContact O-N 2.94Å
112G98.4Very high98.6Very high18 Ų1835.9 Ų35.919%0.18621%0.205CC..SBendtrans136.7-175.2-178.100000113.1G107G107-G112 PolarHBondContact O-N 3.49Å
113L98.9Very high98.4Very high2 Ų241 Ų411%0.0123%0.232CC..  trans-151.1124.9179.8-174.167.4000110.1I38 M110 M115 L116 A154 M157 L158 S161I38-L113 HydrophobicContact CB-CD1 4.09Å; I38-L113 HydrophobicContact CD1-CD1 3.61Å; I38-L113 HydrophobicContact CD1-CD2 3.97Å; I38-L113 HydrophobicContact CD1-CG 4.46Å; I38-L113 HydrophobicContact CG1-CD1 3.61Å; M110-L113 HydrophobicContact CE-CD1 3.71Å; L113-M115 WeakPolarHBondContact CD1-O 3.45Å; L113-L116 HydrophobicContact CD2-CB 4.36Å; L113-A154 HydrophobicContact CD2-CB 3.72Å; L113-M157 HydrophobicContact CB-CB 3.83Å; L113-M157 HydrophobicContact CB-CE 4.22Å; L113-M157 HydrophobicContact CB-SD 4.17Å; L113-M157 HydrophobicContact CD2-CE 4.3Å; L113-L158 HydrophobicContact CB-CD2 4.48Å; L113-L158 HydrophobicContact CD2-CD2 3.99Å; L113-L158 HydrophobicContact CD2-CG 4.09Å; L113-L158 HydrophobicContact CG-CD2 3.9Å; L113-L158 HydrophobicContact CG-CG 4.46Å; L113-S161 PolarHBondContact O-OG 3Å
114D98.9Very high98.1Very high24 Ų2444.1 Ų44.113%0.12825%0.251CS..SBendtrans-100.5-31.6175.9-67.7-86.8000112.3K35 K36 G163 S164K35-D114 HydrophobicContact CB-CB 4.24Å; K35-D114 HydrophobicContact CD-CB 3.83Å; K35-D114 VanDerWaalsContact CD-CG 3.48Å; K35-D114 WeakPolarHBondContact CD-OD1 3.46Å; K35-D114 IonicContact NZ-OD1 2.85Å; K35-D114 PolarHBondContact NZ-OD1 3.37Å; K36-D114 WeakPolarHBondContact CB-OD2 3.28Å; K36-D114 PolarHBondContact N-OD2 3.33Å; K36-D114 PolarHBondContact O-N 3.45Å; D114-G163 CarbonylContact O-C 3.6Å; D114-G163 WeakPolarHBondContact O-CA 3.42Å; D114-S164 PolarHBondContact O-N 3.18Å
115M98.9Very high97.8Very high39 Ų3944.8 Ų44.819%0.19225%0.252CS..EExtended strand (participates in β ladder)trans-145.2131.3-177.8-172179.5-70.300112.4L32 K36 V37 I38 L113 I117 S164 V166L32-M115 HydrophobicContact CD1-CE 4.18Å; K36-M115 PolarHBondContact O-N 2.85Å; K36-M115 VanDerWaalsContact O-N 3.11Å; V37-M115 WeakPolarHBondContact CA-O 3.29Å; V37-M115 HydrophobicContact CG1-CB 4.03Å; V37-M115 HydrophobicContact CG1-CG 4.31Å; V37-M115 HydrophobicContact CG1-SD 4.43Å; V37-M115 HydrophobicContact CG2-CB 4.14Å; I38-M115 PolarHBondContact N-O 3.38Å; L113-M115 WeakPolarHBondContact CD1-O 3.45Å; M115-I117 HydrophobicContact CG-CG1 3.96Å; M115-I117 HydrophobicContact SD-CD1 3.92Å; M115-I117 HydrophobicContact SD-CG1 3.96Å; M115-S164 VanDerWaalsContact CA-O 3.31Å; M115-S164 WeakPolarHBondContact CA-O 3.33Å; M115-V166 HydrophobicContact CG-CG2 4.14Å; M115-V166 HydrophobicContact SD-CG2 3.96Å
116L98.9Very high97.5Very high0 Ų046.1 Ų46.10%026%0.262CS..EExtended strand (participates in β ladder)trans-109.1111.3173.1177.864.6000109.9I38 L113 L118 L150 A154 L158 S164 V166I38-L116 HydrophobicContact CB-CD1 3.9Å; I38-L116 HydrophobicContact CD1-CD1 4.34Å; I38-L116 HydrophobicContact CG2-CD1 3.59Å; L113-L116 HydrophobicContact CD2-CB 4.36Å; L116-L118 HydrophobicContact CD1-CD2 3.92Å; L116-L118 HydrophobicContact CD2-CD1 4.22Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.16Å; L116-L118 HydrophobicContact CG-CD2 3.75Å; L116-L118 HydrophobicContact CG-CG 3.97Å; L116-L150 HydrophobicContact CD2-CB 4.4Å; L116-A154 HydrophobicContact CD2-CB 3.68Å; L116-L158 HydrophobicContact CB-CD1 4.21Å; L116-S164 PolarHBondContact N-O 3.29Å; L116-V166 PolarHBondContact O-N 2.83Å
117I98.9Very high97.2Very high9 Ų950.8 Ų50.85%0.04629%0.287CS..EExtended strand (participates in β ladder)trans-100.7108.3177.2-51-174.1000110.6V37 I38 V39 T40 M50 L54 M115 N119 V166 V168V37-I117 HydrophobicContact CG1-CD1 3.92Å; V37-I117 HydrophobicContact CG1-CG1 4.07Å; I38-I117 WeakPolarHBondContact O-CB 3.18Å; I38-I117 PolarHBondContact O-N 2.98Å; V39-I117 HydrophobicContact CG1-CB 4.37Å; V39-I117 HydrophobicContact CG1-CG2 4.37Å; V39-I117 HydrophobicContact CG2-CB 4.49Å; V39-I117 HydrophobicContact CG2-CD1 4.2Å; T40-I117 PolarHBondContact N-O 3.39Å; T40-I117 PolarHBondContact OG1-O 3.19Å; T40-I117 VanDerWaalsContact OG1-O 3.12Å; M50-I117 HydrophobicContact CE-CG2 3.59Å; M50-I117 HydrophobicContact SD-CD1 4.37Å; M50-I117 HydrophobicContact SD-CG2 3.78Å; L54-I117 HydrophobicContact CD1-CD1 4.07Å; M115-I117 HydrophobicContact CG-CG1 3.96Å; M115-I117 HydrophobicContact SD-CD1 3.92Å; M115-I117 HydrophobicContact SD-CG1 3.96Å; I117-N119 HydrophobicContact CG2-CB 4.38Å; I117-V166 HydrophobicContact CG1-CB 4.21Å; I117-V166 HydrophobicContact CG1-CG2 4.41Å; I117-V166 HydrophobicContact CG2-CB 4.35Å; I117-V166 HydrophobicContact CG2-CG1 4.38Å; I117-V168 HydrophobicContact CG2-CG2 4.49Å
118L98.9Very high97Very high1 Ų156.9 Ų56.91%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-96.2102.6179.9-56.2177000109.6T40 L116 Y147 L150 I165 V166 V167 V168T40-L118 HydrophobicContact CG2-CD2 4.37Å; T40-L118 WeakPolarHBondContact OG1-CA 3.34Å; L116-L118 HydrophobicContact CD1-CD2 3.92Å; L116-L118 HydrophobicContact CD2-CD1 4.22Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.16Å; L116-L118 HydrophobicContact CG-CD2 3.75Å; L116-L118 HydrophobicContact CG-CG 3.97Å; L118-Y147 VanDerWaalsContact C-CZ 3.49Å; L118-Y147 VanDerWaalsContact C-OH 3.22Å; L118-Y147 HydrophobicContact CB-CD1 4.23Å; L118-Y147 HydrophobicContact CB-CD2 3.42Å; L118-Y147 VanDerWaalsContact CB-CD2 3.42Å; L118-Y147 HydrophobicContact CB-CE1 4.2Å; L118-Y147 HydrophobicContact CB-CE2 3.37Å; L118-Y147 HydrophobicContact CB-CG 3.85Å; L118-Y147 HydrophobicContact CD1-CD2 3.88Å; L118-Y147 HydrophobicContact CD1-CG 3.93Å; L118-Y147 HydrophobicContact CG-CD2 4.22Å; L118-Y147 HydrophobicContact CG-CG 4.33Å; L118-Y147 WeakPolarHBondContact O-CE2 3.39Å; L118-Y147 PolarHBondContact O-OH 2.83Å; L118-L150 HydrophobicContact CD2-CB 3.87Å; L118-L150 HydrophobicContact CD2-CD1 3.52Å; L118-L150 HydrophobicContact CD2-CG 4.32Å; L118-I165 HydrophobicContact CD1-CG2 4Å; L118-V166 PolarHBondContact N-O 2.87Å; L118-V167 HydrophobicContact CD1-CG2 4.31Å; L118-V168 PolarHBondContact O-N 3.47Å
119N98.9Very high96.7Very high21 Ų2152.9 Ų52.911%0.11230%0.3CS..  trans-133.1-16.2-169.1163.286.5000114.8T40 G47 M50 I117 Y147 V168T40-N119 WeakPolarHBondContact O-CB 3.32Å; T40-N119 PolarHBondContact O-ND2 3.01Å; T40-N119 PolarHBondContact OG1-N 3.46Å; G47-N119 WeakPolarHBondContact CA-ND2 3.44Å; M50-N119 HydrophobicContact CE-CB 3.75Å; I117-N119 HydrophobicContact CG2-CB 4.38Å; N119-Y147 WeakPolarHBondContact CA-OH 3.37Å; N119-Y147 PolarHBondContact N-OH 3.49Å; N119-Y147 VanDerWaalsContact N-OH 3.09Å; N119-V168 HydrophobicContact CB-CB 4.17Å; N119-V168 HydrophobicContact CB-CG2 3.76Å
120H98.8Very high96.3Very high15 Ų1556.9 Ų56.97%0.06932%0.317CS..  trans-71145.3-176.966.3-84.8000112.8T40 M93 V142 S146 Y147T40-H120 WeakPolarHBondContact CB-ND1 3.44Å; T40-H120 PolarHBondContact OG1-N 2.85Å; T40-H120 PolarHBondContact OG1-ND1 3.08Å; M93-H120 VanDerWaalsContact CB-CD2 3.49Å; M93-H120 WeakPolarHBondContact CB-CD2 3.47Å; M93-H120 WeakPolarHBondContact CB-NE2 3.28Å; M93-H120 VanDerWaalsContact CG-NE2 3.26Å; M93-H120 WeakPolarHBondContact CG-NE2 3.15Å; H120-V142 PolarHBondContact CD2-O 2.74Å; H120-V142 PolarHBondContact NE2-O 3.43Å; H120-V142 VanDerWaalsContact NE2-O 3.11Å; H120-S146 PolarHBondContact CE1-OG 3.1Å; H120-S146 PolarHBondContact NE2-OG 3.15Å; H120-Y147 AromaticContact CD2-CE1 3.99Å; H120-Y147 AromaticContact CE1-CD1 3.49Å; H120-Y147 VanDerWaalsContact CE1-CD1 3.49Å; H120-Y147 WeakPolarHBondContact CE1-CD1 3.27Å; H120-Y147 AromaticContact CE1-CE1 3.23Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.35Å; H120-Y147 PolarHBondContact N-OH 3.41Å; H120-Y147 VanDerWaalsContact N-OH 3.15Å; H120-Y147 AromaticContact ND1-CE1 3.53Å; H120-Y147 AromaticContact NE2-CD1 3.81Å; H120-Y147 AromaticContact NE2-CE1 3.54Å; H120-Y147 WeakPolarHBondContact O-CE1 3.19Å; H120-Y147 PolarHBondContact O-OH 3.33Å
121I98.4Very high95.6Very high108 Ų10862 Ų6255%0.55434%0.344SS*.  trans-132.8157.9169.259.6168.5000109.9N143I121-N143 VanDerWaalsContact CA-OD1 3.24Å; I121-N143 WeakPolarHBondContact CA-OD1 3.39Å; I121-N143 HydrophobicContact CG2-CB 4.45Å
122T97.6Very high95.3Very high13 Ų1363.2 Ų63.28%0.0834%0.337CS..  trans-63.1161.9162.1-170.20000110.3T124 K138 S139 N143T122-T124 PolarHBondContact O-N 3.31Å; T122-K138 VanDerWaalsContact OG1-CE 3.26Å; T122-K138 WeakPolarHBondContact OG1-CE 3.29Å; T122-S139 WeakPolarHBondContact CG2-OG 3.46Å; T122-N143 PolarHBondContact N-OD1 3.27Å
123N94.4Very high95.1Very high107 Ų10766.8 Ų66.857%0.57235%0.352SS*.  trans-67.3125.3175.1-69.7-21.6000109.3H135N123-H135 PolarHBondContact O-CE1 2.87Å
124T92.8Very high94.8Very high67 Ų6773.7 Ų73.741%0.41138%0.383SS..  trans-126.5145.9178.2-58.70000109.1T122T122-T124 PolarHBondContact O-N 3.31Å
125S91.3Very high94.6Very high79 Ų7974.4 Ų74.455%0.55239%0.386SS*.  trans-134159.4176.655.50000109.7N127S125-N127 PolarHBondContact O-N 2.88Å; S125-N127 PolarHBondContact OG-ND2 3.44Å
126L93.4Very high94.5Very high132 Ų13274.7 Ų74.769%0.69139%0.39SS*.  trans-79.7108.3-178.8-60.8179.4000109.9M179 V180L126-M179 WeakPolarHBondContact CA-O 3.17Å; L126-M179 HydrophobicContact CB-CB 4.17Å; L126-M179 HydrophobicContact CD2-CB 4.39Å; L126-V180 HydrophobicContact CD2-CG1 3.73Å
127N91.7Very high94.4Very high99 Ų9981.2 Ų81.253%0.52941%0.414SS..  trans-144.5153177.5-66.4-63000111.1S125 F129 M179S125-N127 PolarHBondContact O-N 2.88Å; S125-N127 PolarHBondContact OG-ND2 3.44Å; N127-F129 PolarHBondContact O-N 2.87Å; N127-M179 PolarHBondContact N-O 3.45Å; N127-M179 VanDerWaalsContact O-CA 3.26Å; N127-M179 WeakPolarHBondContact O-CA 3.15Å
128L94Very high94.3Very high132 Ų13284 Ų8469%0.69143%0.426SS*.  trans-63.7135.9164-71171.3000108.5H130 M179L128-H130 PolarHBondContact O-N 3.46Å; L128-M179 HydrophobicContact CB-SD 4.22Å; L128-M179 HydrophobicContact CD1-CE 4.32Å; L128-M179 HydrophobicContact CD2-CE 3.38Å; L128-M179 HydrophobicContact CD2-SD 3.45Å; L128-M179 WeakPolarHBondContact CD2-SD 3.42Å; L128-M179 HydrophobicContact CG-CE 3.56Å; L128-M179 HydrophobicContact CG-SD 3.52Å; L128-M179 VanDerWaalsContact CG-SD 3.52Å; L128-M179 PolarHBondContact N-SD 2.92Å
129F93.1Very high94.2Very high99 Ų9984.1 Ų84.143%0.43443%0.427SS..  trans-65.1127.5173.2178-97.5000109.8N127 I133 V136N127-F129 PolarHBondContact O-N 2.87Å; F129-I133 HydrophobicContact CZ-CD1 4.2Å; F129-V136 HydrophobicContact CE2-CG2 3.67Å; F129-V136 HydrophobicContact CZ-CG2 4.35Å
130H88.3Confident94.1Very high158 Ų15888.1 Ų88.173%0.73145%0.446SS*.  trans-141.879.6176.2-171.260.4000109.9L128 D132L128-H130 PolarHBondContact O-N 3.46Å; H130-D132 PolarHBondContact O-N 3.42Å
131D85.4Confident94.1Very high122 Ų12290.8 Ų90.865%0.65246%0.459SS*.SBendtrans54.422.4172.8-59.3-36.5000116.4I133D131-I133 VanDerWaalsContact C-N 3.26Å; D131-I133 PolarHBondContact O-N 3.04Å
132D91.1Very high94.1Very high82 Ų8286 Ų8644%0.43944%0.435SS..  trans-8267.9177.9-166.5-10.3000112H130 H134 H135 V136H130-D132 PolarHBondContact O-N 3.42Å; D132-H134 PolarHBondContact O-N 3.27Å; D132-H134 PolarHBondContact OD1-N 3.45Å; D132-H135 HydrophobicContact CB-CB 4.19Å; D132-H135 VanDerWaalsContact CG-CB 3.43Å; D132-H135 PolarHBondContact O-N 3.21Å; D132-H135 VanDerWaalsContact O-N 3.12Å; D132-H135 PolarHBondContact OD1-N 2.92Å; D132-H135 WeakPolarHBondContact OD2-CB 3.23Å; D132-V136 WeakPolarHBondContact O-CG2 3.49Å; D132-V136 PolarHBondContact O-N 2.9Å
133I94.1Very high94.2Very high94 Ų9487.6 Ų87.648%0.48244%0.443SS..Hα-helixtrans-61.2-26.3178.2-56.9-57.8000112.1F129 D131 V136 R137F129-I133 HydrophobicContact CZ-CD1 4.2Å; D131-I133 VanDerWaalsContact C-N 3.26Å; D131-I133 PolarHBondContact O-N 3.04Å; I133-V136 PolarHBondContact O-N 2.85Å; I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 2.88Å
134H94Very high94.4Very high146 Ų14688.1 Ų88.168%0.67644%0.44SS*.Hα-helixtrans-66.4-42.9176-74.2-70.8000111.3D132 K138D132-H134 PolarHBondContact O-N 3.27Å; D132-H134 PolarHBondContact OD1-N 3.45Å; H134-K138 VanDerWaalsContact O-CB 3.27Å; H134-K138 WeakPolarHBondContact O-CB 3.41Å; H134-K138 PolarHBondContact O-N 3.09Å
135H93.9Very high94.7Very high40 Ų4088.7 Ų88.719%0.18544%0.44CS..Hα-helixtrans-64.9-41.9174.4-169.461.3000112.4N123 D132 R137 K138 S139 A182N123-H135 PolarHBondContact O-CE1 2.87Å; D132-H135 HydrophobicContact CB-CB 4.19Å; D132-H135 VanDerWaalsContact CG-CB 3.43Å; D132-H135 PolarHBondContact O-N 3.21Å; D132-H135 VanDerWaalsContact O-N 3.12Å; D132-H135 PolarHBondContact OD1-N 2.92Å; D132-H135 WeakPolarHBondContact OD2-CB 3.23Å; H135-R137 PolarHBondContact O-N 3.41Å; H135-K138 PolarHBondContact O-N 2.87Å; H135-S139 WeakPolarHBondContact O-CB 3.49Å; H135-S139 PolarHBondContact O-N 3.45Å; H135-S139 PolarHBondContact O-OG 3.15Å; H135-A182 PolarHBondContact CD2-OXT 3.04Å; H135-A182 VanDerWaalsContact CD2-OXT 3.24Å
136V95.8Very high95Very high45 Ų4584.9 Ų84.927%0.27341%0.414SS..Hα-helixtrans-55.5-54.7175.4-179.70000110F129 D132 I133 K138 S139 M140 A182F129-V136 HydrophobicContact CE2-CG2 3.67Å; F129-V136 HydrophobicContact CZ-CG2 4.35Å; D132-V136 WeakPolarHBondContact O-CG2 3.49Å; D132-V136 PolarHBondContact O-N 2.9Å; I133-V136 PolarHBondContact O-N 2.85Å; V136-K138 PolarHBondContact O-N 2.9Å; V136-S139 PolarHBondContact O-N 2.66Å; V136-M140 WeakPolarHBondContact O-CG 3.42Å; V136-M140 PolarHBondContact O-N 3.11Å; V136-A182 VanDerWaalsContact CA-OXT 3.24Å; V136-A182 WeakPolarHBondContact CA-OXT 3.38Å; V136-A182 VanDerWaalsContact CG2-O 3.31Å; V136-A182 WeakPolarHBondContact CG2-O 3.31Å; V136-A182 WeakPolarHBondContact CG2-OXT 3.45Å; V136-A182 PolarHBondContact N-OXT 3.35Å; V136-A182 VanDerWaalsContact N-OXT 3.1Å
137R97.1Very high95.3Very high137 Ų13779.5 Ų79.552%0.51738%0.384SS..Hα-helixtrans-60.5-49-178.7-178.6-180-61.4144.55.2111.2I133 H135 S139 M140 E141I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 2.88Å; H135-R137 PolarHBondContact O-N 3.41Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.15Å; R137-M140 PolarHBondContact O-N 3.38Å; R137-M140 VanDerWaalsContact O-N 3.12Å; R137-E141 WeakPolarHBondContact CD-OE1 3.27Å; R137-E141 HydrophobicContact CG-CG 4.34Å; R137-E141 VanDerWaalsContact CG-OE1 3.23Å; R137-E141 WeakPolarHBondContact CG-OE1 3.36Å; R137-E141 WeakPolarHBondContact O-CG 3.06Å; R137-E141 PolarHBondContact O-N 3.25Å
138K96.9Very high95.6Very high66 Ų6677.9 Ų77.929%0.28738%0.378SS..Hα-helixtrans-59.9-39.3-179.9-179.4166.2178.7135.70112E94 T122 H134 H135 V136 E141 V142E94-K138 WeakPolarHBondContact OE1-CE 3.21Å; E94-K138 IonicContact OE1-NZ 2.67Å; E94-K138 PolarHBondContact OE1-NZ 3.16Å; E94-K138 WeakPolarHBondContact OE2-CE 3.28Å; E94-K138 IonicContact OE2-NZ 3.79Å; E94-K138 PolarHBondContact OE2-NZ 3.31Å; T122-K138 VanDerWaalsContact OG1-CE 3.26Å; T122-K138 WeakPolarHBondContact OG1-CE 3.29Å; H134-K138 VanDerWaalsContact O-CB 3.27Å; H134-K138 WeakPolarHBondContact O-CB 3.41Å; H134-K138 PolarHBondContact O-N 3.09Å; H135-K138 PolarHBondContact O-N 2.87Å; V136-K138 PolarHBondContact O-N 2.9Å; K138-E141 PolarHBondContact O-N 2.91Å; K138-V142 HydrophobicContact CG-CG2 4.34Å; K138-V142 WeakPolarHBondContact O-CB 3.41Å; K138-V142 WeakPolarHBondContact O-CG2 3.41Å; K138-V142 PolarHBondContact O-N 2.77Å
139S97.1Very high95.9Very high4 Ų473.2 Ų73.23%0.02836%0.355CS..Hα-helixtrans-67.4-40.6175.9-63.40000111.9T122 H135 V136 R137 N143 A182T122-S139 WeakPolarHBondContact CG2-OG 3.46Å; H135-S139 WeakPolarHBondContact O-CB 3.49Å; H135-S139 PolarHBondContact O-N 3.45Å; H135-S139 PolarHBondContact O-OG 3.15Å; V136-S139 PolarHBondContact O-N 2.66Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.15Å; S139-N143 WeakPolarHBondContact O-CA 3.31Å; S139-N143 WeakPolarHBondContact O-CB 3.41Å; S139-N143 PolarHBondContact O-N 3.4Å; S139-A182 WeakPolarHBondContact OG-CB 3.24Å
140M98.1Very high96.1Very high105 Ų10568.5 Ų68.552%0.51733%0.334SS..Hα-helixtrans-66.2-36.8174.8-69.3-54.8-5900112.6V136 R137 F144 L145V136-M140 WeakPolarHBondContact O-CG 3.42Å; V136-M140 PolarHBondContact O-N 3.11Å; R137-M140 PolarHBondContact O-N 3.38Å; R137-M140 VanDerWaalsContact O-N 3.12Å; M140-F144 HydrophobicContact CE-CB 4.28Å; M140-F144 HydrophobicContact CE-CD1 4.05Å; M140-F144 HydrophobicContact CE-CG 4.24Å; M140-F144 WeakPolarHBondContact O-CB 3.46Å; M140-F144 PolarHBondContact O-N 2.97Å; M140-L145 PolarHBondContact O-N 3.49Å
141E98.4Very high96.6Very high71 Ų7162.7 Ų62.733%0.33231%0.31SS..Iπ-helixtrans-67.7-53.4176.1-73.4171.1-176.600111.3M96 R137 K138 L145 S146M96-E141 HydrophobicContact CE-CB 4.45Å; R137-E141 WeakPolarHBondContact CD-OE1 3.27Å; R137-E141 HydrophobicContact CG-CG 4.34Å; R137-E141 VanDerWaalsContact CG-OE1 3.23Å; R137-E141 WeakPolarHBondContact CG-OE1 3.36Å; R137-E141 WeakPolarHBondContact O-CG 3.06Å; R137-E141 PolarHBondContact O-N 3.25Å; K138-E141 PolarHBondContact O-N 2.91Å; E141-L145 WeakPolarHBondContact O-CB 3.28Å; E141-L145 PolarHBondContact O-N 3.47Å; E141-S146 PolarHBondContact O-N 2.89Å
142V98.5Very high97.3Very high8 Ų861.8 Ų61.85%0.04831%0.308CS..Iπ-helixtrans-79-41-173177.90000112.9M93 E94 H120 K138 S146M93-V142 HydrophobicContact CB-CG1 4.43Å; E94-V142 HydrophobicContact CB-CG2 4.29Å; E94-V142 HydrophobicContact CG-CG2 3.35Å; H120-V142 PolarHBondContact CD2-O 2.74Å; H120-V142 PolarHBondContact NE2-O 3.43Å; H120-V142 VanDerWaalsContact NE2-O 3.11Å; K138-V142 HydrophobicContact CG-CG2 4.34Å; K138-V142 WeakPolarHBondContact O-CB 3.41Å; K138-V142 WeakPolarHBondContact O-CG2 3.41Å; K138-V142 PolarHBondContact O-N 2.77Å; V142-S146 PolarHBondContact O-OG 3.5Å
143N98.4Very high97.7Very high47 Ų4759.2 Ų59.225%0.25130%0.298SS..Iπ-helixtrans-91.6-10.4-171.1-52.1-4000112.4I121 T122 S139I121-N143 VanDerWaalsContact CA-OD1 3.24Å; I121-N143 WeakPolarHBondContact CA-OD1 3.39Å; I121-N143 HydrophobicContact CG2-CB 4.45Å; T122-N143 PolarHBondContact N-OD1 3.27Å; S139-N143 WeakPolarHBondContact O-CA 3.31Å; S139-N143 WeakPolarHBondContact O-CB 3.41Å; S139-N143 PolarHBondContact O-N 3.4Å
144F98.7Very high97.9Very high118 Ų11854.7 Ų54.752%0.51828%0.276SS..Iπ-helixtrans-134.9-58.2-176.5175.6-96.6000113.2M140 S146 Y147 V148M140-F144 HydrophobicContact CE-CB 4.28Å; M140-F144 HydrophobicContact CE-CD1 4.05Å; M140-F144 HydrophobicContact CE-CG 4.24Å; M140-F144 WeakPolarHBondContact O-CB 3.46Å; M140-F144 PolarHBondContact O-N 2.97Å; F144-S146 PolarHBondContact O-N 3.46Å; F144-Y147 VanDerWaalsContact O-CB 3.31Å; F144-Y147 WeakPolarHBondContact O-CB 3.24Å; F144-Y147 PolarHBondContact O-N 2.76Å; F144-V148 HydrophobicContact CE1-CG2 4.21Å; F144-V148 HydrophobicContact CE2-CG2 4.44Å; F144-V148 HydrophobicContact CZ-CG2 4.09Å; F144-V148 PolarHBondContact O-N 2.8Å; F144-V148 VanDerWaalsContact O-N 3.15Å
145L98.8Very high98.1Very high78 Ų7851 Ų5141%0.40826%0.26SS..Iπ-helixtrans-64.4-42.5-173.5-172.362000111.7M96 M140 E141 Y147 V148 V149M96-L145 HydrophobicContact SD-CD2 4.41Å; M96-L145 HydrophobicContact SD-CG 4.17Å; M140-L145 PolarHBondContact O-N 3.49Å; E141-L145 WeakPolarHBondContact O-CB 3.28Å; E141-L145 PolarHBondContact O-N 3.47Å; L145-Y147 PolarHBondContact O-N 3.29Å; L145-V148 WeakPolarHBondContact O-CB 3.26Å; L145-V148 PolarHBondContact O-N 3.31Å; L145-V148 VanDerWaalsContact O-N 3.1Å; L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 2.67Å
146S98.9Very high98.3Very high0 Ų053.4 Ų53.40%028%0.28CS..Hα-helixtrans-57.5-36.917475.50000111.9M93 H120 E141 V142 F144 V148 V149 L150M93-S146 WeakPolarHBondContact O-CB 3.27Å; H120-S146 PolarHBondContact CE1-OG 3.1Å; H120-S146 PolarHBondContact NE2-OG 3.15Å; E141-S146 PolarHBondContact O-N 2.89Å; V142-S146 PolarHBondContact O-OG 3.5Å; F144-S146 PolarHBondContact O-N 3.46Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.35Å; S146-V149 PolarHBondContact O-N 2.83Å; S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 WeakPolarHBondContact O-CD1 3.39Å; S146-L150 WeakPolarHBondContact O-CG 3.42Å; S146-L150 PolarHBondContact O-N 2.83Å
147Y98.9Very high98.5Very high19 Ų1953.4 Ų53.48%0.07528%0.277CS..Hα-helixtrans-65.8-38.8178.6-80.135.1000110.8L118 N119 H120 F144 L145 T151 V167L118-Y147 VanDerWaalsContact C-CZ 3.49Å; L118-Y147 VanDerWaalsContact C-OH 3.22Å; L118-Y147 HydrophobicContact CB-CD1 4.23Å; L118-Y147 HydrophobicContact CB-CD2 3.42Å; L118-Y147 VanDerWaalsContact CB-CD2 3.42Å; L118-Y147 HydrophobicContact CB-CE1 4.2Å; L118-Y147 HydrophobicContact CB-CE2 3.37Å; L118-Y147 HydrophobicContact CB-CG 3.85Å; L118-Y147 HydrophobicContact CD1-CD2 3.88Å; L118-Y147 HydrophobicContact CD1-CG 3.93Å; L118-Y147 HydrophobicContact CG-CD2 4.22Å; L118-Y147 HydrophobicContact CG-CG 4.33Å; L118-Y147 WeakPolarHBondContact O-CE2 3.39Å; L118-Y147 PolarHBondContact O-OH 2.83Å; N119-Y147 WeakPolarHBondContact CA-OH 3.37Å; N119-Y147 PolarHBondContact N-OH 3.49Å; N119-Y147 VanDerWaalsContact N-OH 3.09Å; H120-Y147 AromaticContact CD2-CE1 3.99Å; H120-Y147 AromaticContact CE1-CD1 3.49Å; H120-Y147 VanDerWaalsContact CE1-CD1 3.49Å; H120-Y147 WeakPolarHBondContact CE1-CD1 3.27Å; H120-Y147 AromaticContact CE1-CE1 3.23Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.35Å; H120-Y147 PolarHBondContact N-OH 3.41Å; H120-Y147 VanDerWaalsContact N-OH 3.15Å; H120-Y147 AromaticContact ND1-CE1 3.53Å; H120-Y147 AromaticContact NE2-CD1 3.81Å; H120-Y147 AromaticContact NE2-CE1 3.54Å; H120-Y147 WeakPolarHBondContact O-CE1 3.19Å; H120-Y147 PolarHBondContact O-OH 3.33Å; F144-Y147 VanDerWaalsContact O-CB 3.31Å; F144-Y147 WeakPolarHBondContact O-CB 3.24Å; F144-Y147 PolarHBondContact O-N 2.76Å; L145-Y147 PolarHBondContact O-N 3.29Å; Y147-T151 VanDerWaalsContact O-CB 3.29Å; Y147-T151 WeakPolarHBondContact O-CB 3.44Å; Y147-T151 PolarHBondContact O-N 3.45Å; Y147-T151 PolarHBondContact O-OG1 3.06Å; Y147-V167 HydrophobicContact CD2-CG1 4Å; Y147-V167 HydrophobicContact CE2-CG1 4Å
148V98.9Very high98.6Very high64 Ų6447.2 Ų47.239%0.38825%0.254SS..Hα-helixtrans-64.3-48.1173.5178.40000110.2F144 L145 S146 L150 T151 V152F144-V148 HydrophobicContact CE1-CG2 4.21Å; F144-V148 HydrophobicContact CE2-CG2 4.44Å; F144-V148 HydrophobicContact CZ-CG2 4.09Å; F144-V148 PolarHBondContact O-N 2.8Å; F144-V148 VanDerWaalsContact O-N 3.15Å; L145-V148 WeakPolarHBondContact O-CB 3.26Å; L145-V148 PolarHBondContact O-N 3.31Å; L145-V148 VanDerWaalsContact O-N 3.1Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.35Å; V148-L150 PolarHBondContact O-N 2.92Å; V148-T151 WeakPolarHBondContact O-CB 3.23Å; V148-T151 PolarHBondContact O-N 2.86Å; V148-V152 WeakPolarHBondContact O-CG2 3.4Å; V148-V152 PolarHBondContact O-N 2.89Å
149V98.9Very high98.7Very high34 Ų3451 Ų5121%0.20627%0.27CS..Hα-helixtrans-60.3-47.7179.4173.10000111.7M96 A99 E100 L145 S146 T151 V152 A153M96-V149 HydrophobicContact CB-CG2 4.36Å; M96-V149 HydrophobicContact CG-CG2 4.4Å; M96-V149 HydrophobicContact SD-CB 4.37Å; M96-V149 HydrophobicContact SD-CG2 3.82Å; A99-V149 HydrophobicContact CB-CG1 3.97Å; E100-V149 HydrophobicContact CB-CG1 4.19Å; L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 2.67Å; S146-V149 PolarHBondContact O-N 2.83Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 3.44Å; V149-V152 PolarHBondContact O-N 3.37Å; V149-A153 PolarHBondContact O-N 2.87Å
150L98.9Very high98.7Very high0 Ų058.9 Ų58.90%031%0.307CS..Hα-helixtrans-58.6-41.7175.7-70166.5000111.6T40 M93 A99 F102 V103 L116 L118 S146 V148 A153 A154T40-L150 HydrophobicContact CG2-CD1 4.11Å; M93-L150 HydrophobicContact CE-CD1 4.15Å; M93-L150 HydrophobicContact CE-CD2 4.2Å; M93-L150 HydrophobicContact SD-CD1 4.06Å; M93-L150 HydrophobicContact SD-CD2 4.34Å; A99-L150 HydrophobicContact CB-CD2 4.02Å; A99-L150 HydrophobicContact CB-CG 4.15Å; A99-L150 VanDerWaalsContact O-CD2 3.27Å; A99-L150 WeakPolarHBondContact O-CD2 3.4Å; F102-L150 HydrophobicContact CD1-CD2 3.73Å; F102-L150 HydrophobicContact CE1-CD2 4.28Å; V103-L150 HydrophobicContact CG2-CB 4.36Å; V103-L150 HydrophobicContact CG2-CD2 3.46Å; V103-L150 VanDerWaalsContact CG2-CD2 3.46Å; L116-L150 HydrophobicContact CD2-CB 4.4Å; L118-L150 HydrophobicContact CD2-CB 3.87Å; L118-L150 HydrophobicContact CD2-CD1 3.52Å; L118-L150 HydrophobicContact CD2-CG 4.32Å; S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 WeakPolarHBondContact O-CD1 3.39Å; S146-L150 WeakPolarHBondContact O-CG 3.42Å; S146-L150 PolarHBondContact O-N 2.83Å; V148-L150 PolarHBondContact O-N 2.92Å; L150-A153 PolarHBondContact O-N 2.92Å; L150-A154 WeakPolarHBondContact O-CB 3.11Å; L150-A154 PolarHBondContact O-N 3.31Å
151T98.9Very high98.8Very high37 Ų3755.7 Ų55.723%0.22730%0.295CS..Hα-helixtrans-63.8-47.1178-65.10000111.4Y147 V148 V149 A153 A154 L155 I165Y147-T151 VanDerWaalsContact O-CB 3.29Å; Y147-T151 WeakPolarHBondContact O-CB 3.44Å; Y147-T151 PolarHBondContact O-N 3.45Å; Y147-T151 PolarHBondContact O-OG1 3.06Å; V148-T151 WeakPolarHBondContact O-CB 3.23Å; V148-T151 PolarHBondContact O-N 2.86Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 3.44Å; T151-A153 VanDerWaalsContact C-N 3.32Å; T151-A153 PolarHBondContact O-N 3.31Å; T151-A154 PolarHBondContact O-N 3.18Å; T151-L155 WeakPolarHBondContact O-CB 3.34Å; T151-L155 PolarHBondContact O-N 3.48Å; T151-I165 HydrophobicContact CG2-CD1 3.58Å
152V98.9Very high98.8Very high102 Ų10259.5 Ų59.562%0.61832%0.318SS*.Hα-helixtrans-57.5-47.1177.6170.60000110.6V148 V149 A154V148-V152 WeakPolarHBondContact O-CG2 3.4Å; V148-V152 PolarHBondContact O-N 2.89Å; V149-V152 PolarHBondContact O-N 3.37Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.24Å
153A98.8Very high98.8Very high28 Ų2860.4 Ų60.423%0.23133%0.329CS..Hα-helixtrans-65.6-34.5179.100000113.1E100 V103 V149 L150 T151E100-A153 HydrophobicContact CG-CB 4.38Å; V103-A153 HydrophobicContact CB-CB 3.84Å; V103-A153 HydrophobicContact CG1-CB 3.98Å; V103-A153 HydrophobicContact CG2-CB 4.25Å; V149-A153 PolarHBondContact O-N 2.87Å; L150-A153 PolarHBondContact O-N 2.92Å; T151-A153 VanDerWaalsContact C-N 3.32Å; T151-A153 PolarHBondContact O-N 3.31Å
154A98.8Very high98.8Very high0 Ų061.1 Ų61.10%034%0.337CS..Hα-helixtrans-82.7-26.9-177.400000113.8V103 L113 L116 L150 T151 V152 P156 M157 L158V103-A154 HydrophobicContact CG1-CB 3.79Å; L113-A154 HydrophobicContact CD2-CB 3.72Å; L116-A154 HydrophobicContact CD2-CB 3.68Å; L150-A154 WeakPolarHBondContact O-CB 3.11Å; L150-A154 PolarHBondContact O-N 3.31Å; T151-A154 PolarHBondContact O-N 3.18Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.24Å; A154-P156 VanDerWaalsContact C-CD 3.43Å; A154-M157 PolarHBondContact O-N 2.88Å; A154-L158 HydrophobicContact CB-CD1 3.8Å; A154-L158 HydrophobicContact CB-CG 4.31Å; A154-L158 WeakPolarHBondContact O-CG 3.47Å; A154-L158 PolarHBondContact O-N 3.38Å
155L98.8Very high98.8Very high68 Ų6858.8 Ų58.836%0.35633%0.33SS..Hα-helixtrans-55.4-38.8-168.8-167.465.2000114.2T151 M157 L158 K159T151-L155 WeakPolarHBondContact O-CB 3.34Å; T151-L155 PolarHBondContact O-N 3.48Å; L155-M157 PolarHBondContact O-N 2.93Å; L155-L158 PolarHBondContact O-N 2.92Å; L155-K159 HydrophobicContact CD1-CG 4.39Å; L155-K159 HydrophobicContact CG-CD 4.2Å; L155-K159 HydrophobicContact CG-CG 4.32Å; L155-K159 WeakPolarHBondContact O-CB 3.42Å; L155-K159 VanDerWaalsContact O-CG 3.31Å; L155-K159 WeakPolarHBondContact O-CG 3.35Å; L155-K159 PolarHBondContact O-N 3.19Å
156P98.8Very high98.8Very high91 Ų9157.6 Ų57.659%0.59133%0.326SS*.Hα-helixtrans-59.4-44.5175.8-2535.7000113.1A154 Q160A154-P156 VanDerWaalsContact C-CD 3.43Å; P156-Q160 PolarHBondContact O-N 3.29Å
157M98.8Very high98.8Very high44 Ų4461.9 Ų61.922%0.21735%0.352CS..Hα-helixtrans-70.2-41.1179-67.3-175.4-75.400111.7V103 G107 L113 A154 L155 K159 Q160 S161V103-M157 HydrophobicContact CG1-CE 3.72Å; G107-M157 VanDerWaalsContact CA-SD 3.55Å; L113-M157 HydrophobicContact CB-CB 3.83Å; L113-M157 HydrophobicContact CB-CE 4.22Å; L113-M157 HydrophobicContact CB-SD 4.17Å; L113-M157 HydrophobicContact CD2-CE 4.3Å; A154-M157 PolarHBondContact O-N 2.88Å; L155-M157 PolarHBondContact O-N 2.93Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 2.91Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 2.97Å; M157-Q160 VanDerWaalsContact O-N 3.16Å; M157-S161 PolarHBondContact O-N 3.12Å; M157-S161 VanDerWaalsContact O-N 3.14Å
158L98.9Very high98.8Very high7 Ų763.3 Ų63.34%0.03736%0.362CS..Hα-helixtrans-65.7-37.5178.1-66.7171.1000111.8L113 L116 A154 L155 Q160 S161 N162 G163 I165L113-L158 HydrophobicContact CB-CD2 4.48Å; L113-L158 HydrophobicContact CD2-CD2 3.99Å; L113-L158 HydrophobicContact CD2-CG 4.09Å; L113-L158 HydrophobicContact CG-CD2 3.9Å; L113-L158 HydrophobicContact CG-CG 4.46Å; L116-L158 HydrophobicContact CB-CD1 4.21Å; A154-L158 HydrophobicContact CB-CD1 3.8Å; A154-L158 HydrophobicContact CB-CG 4.31Å; A154-L158 WeakPolarHBondContact O-CG 3.47Å; A154-L158 PolarHBondContact O-N 3.38Å; L155-L158 PolarHBondContact O-N 2.92Å; L158-Q160 VanDerWaalsContact C-N 3.29Å; L158-Q160 PolarHBondContact O-N 3.49Å; L158-S161 PolarHBondContact O-N 3.12Å; L158-S161 PolarHBondContact O-OG 2.98Å; L158-N162 CarbonylContact O-C 3.55Å; L158-N162 WeakPolarHBondContact O-CA 3.46Å; L158-N162 PolarHBondContact O-N 2.98Å; L158-G163 PolarHBondContact O-N 3.31Å; L158-I165 HydrophobicContact CD1-CD1 4.02Å; L158-I165 HydrophobicContact CD1-CG1 3.56Å
159K98.7Very high98.7Very high145 Ų14564.6 Ų64.663%0.6337%0.374SS*.Hα-helixtrans-61.9-38.5172.8-79.3177.8173.4-179.30111.8L155 M157 S161L155-K159 HydrophobicContact CD1-CG 4.39Å; L155-K159 HydrophobicContact CG-CD 4.2Å; L155-K159 HydrophobicContact CG-CG 4.32Å; L155-K159 WeakPolarHBondContact O-CB 3.42Å; L155-K159 VanDerWaalsContact O-CG 3.31Å; L155-K159 WeakPolarHBondContact O-CG 3.35Å; L155-K159 PolarHBondContact O-N 3.19Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 2.91Å; K159-S161 VanDerWaalsContact C-N 3.34Å; K159-S161 PolarHBondContact O-N 3.34Å
160Q98.6Very high98.6Very high170 Ų17066.5 Ų66.579%0.79439%0.389SS*.Hα-helixtrans-65.8-36.2178.4-173.964.327.300112.4P156 M157 L158P156-Q160 PolarHBondContact O-N 3.29Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 2.97Å; M157-Q160 VanDerWaalsContact O-N 3.16Å; L158-Q160 VanDerWaalsContact C-N 3.29Å; L158-Q160 PolarHBondContact O-N 3.49Å
161S98.6Very high98.5Very high38 Ų3872.4 Ų72.427%0.26642%0.42SS..Hα-helixtrans-93.7-3.3-177.971.20000114.2L113 M157 L158 K159 G163L113-S161 PolarHBondContact O-OG 3Å; M157-S161 PolarHBondContact O-N 3.12Å; M157-S161 VanDerWaalsContact O-N 3.14Å; L158-S161 PolarHBondContact O-N 3.12Å; L158-S161 PolarHBondContact O-OG 2.98Å; K159-S161 VanDerWaalsContact C-N 3.34Å; K159-S161 PolarHBondContact O-N 3.34Å; S161-G163 PolarHBondContact O-N 3.29Å; S161-G163 WeakPolarHBondContact OG-CA 3.42Å; S161-G163 PolarHBondContact OG-N 3.47Å; S161-G163 VanDerWaalsContact OG-N 3.1Å
162N98.6Very high98.2Very high151 Ų15172.7 Ų72.781%0.80743%0.426SS*.THydrogen-bonded Turntrans49.743.3-161.2-60-44.6000111.8L158L158-N162 CarbonylContact O-C 3.55Å; L158-N162 WeakPolarHBondContact O-CA 3.46Å; L158-N162 PolarHBondContact O-N 2.98Å
163G98.6Very high98Very high28 Ų2870.3 Ų70.329%0.28942%0.422SS..  trans-74.7-178-173.200000114.5D114 L158 S161D114-G163 CarbonylContact O-C 3.6Å; D114-G163 WeakPolarHBondContact O-CA 3.42Å; L158-G163 PolarHBondContact O-N 3.31Å; S161-G163 PolarHBondContact O-N 3.29Å; S161-G163 WeakPolarHBondContact OG-CA 3.42Å; S161-G163 PolarHBondContact OG-N 3.47Å; S161-G163 VanDerWaalsContact OG-N 3.1Å
164S98.9Very high97.8Very high61 Ų6177.7 Ų77.743%0.42745%0.449SS..EExtended strand (participates in β ladder)trans-122.8148.9-174.6-63.70000112.7D114 M115 L116D114-S164 PolarHBondContact O-N 3.18Å; M115-S164 VanDerWaalsContact CA-O 3.31Å; M115-S164 WeakPolarHBondContact CA-O 3.33Å; L116-S164 PolarHBondContact N-O 3.29Å
165I98.9Very high97.6Very high69 Ų6981.4 Ų81.435%0.35447%0.471SS..EExtended strand (participates in β ladder)trans-113.3125.7168.3-57.1169.9000107.4L118 T151 L158 V167L118-I165 HydrophobicContact CD1-CG2 4Å; T151-I165 HydrophobicContact CG2-CD1 3.58Å; L158-I165 HydrophobicContact CD1-CD1 4.02Å; L158-I165 HydrophobicContact CD1-CG1 3.56Å; I165-V167 HydrophobicContact CG2-CG2 4.1Å
166V98.9Very high97.5Very high54 Ų5483 Ų8333%0.32749%0.494SS..EExtended strand (participates in β ladder)trans-110.6117.3176.2-178.50000108M115 L116 I117 L118M115-V166 HydrophobicContact CG-CG2 4.14Å; M115-V166 HydrophobicContact SD-CG2 3.96Å; L116-V166 PolarHBondContact O-N 2.83Å; I117-V166 HydrophobicContact CG1-CB 4.21Å; I117-V166 HydrophobicContact CG1-CG2 4.41Å; I117-V166 HydrophobicContact CG2-CB 4.35Å; I117-V166 HydrophobicContact CG2-CG1 4.38Å; L118-V166 PolarHBondContact N-O 2.87Å
167V98.9Very high97.2Very high90 Ų9084.3 Ų84.355%0.54549%0.488SS..EExtended strand (participates in β ladder)trans-105.8108.4177.7-179.30000108.7L118 Y147 I165 S169L118-V167 HydrophobicContact CD1-CG2 4.31Å; Y147-V167 HydrophobicContact CD2-CG1 4Å; Y147-V167 HydrophobicContact CE2-CG1 4Å; I165-V167 HydrophobicContact CG2-CG2 4.1Å; V167-S169 PolarHBondContact O-N 3.1Å
168V98.7Very high97Very high48 Ų4887 Ų8729%0.29151%0.509SS..  trans-76.1118.3173.6-176.70000108.4M50 I117 L118 N119M50-V168 HydrophobicContact CE-CG2 4.36Å; I117-V168 HydrophobicContact CG2-CG2 4.49Å; L118-V168 PolarHBondContact O-N 3.47Å; N119-V168 HydrophobicContact CB-CB 4.17Å; N119-V168 HydrophobicContact CB-CG2 3.76Å
169S97.4Very high96.7Very high91 Ų9190.4 Ų90.464%0.63653%0.525SS*.  trans-118.8-155177.8-167.10000109.9V167V167-S169 PolarHBondContact O-N 3.1Å
170S95.3Very high96Very high74 Ų7486.2 Ų86.252%0.51751%0.512SS..  trans-147.4162.4-178.5176.70000110.5A172 G173S170-A172 PolarHBondContact O-N 3.4Å; S170-A172 PolarHBondContact OG-N 2.93Å; S170-G173 WeakPolarHBondContact O-CA 3.26Å; S170-G173 PolarHBondContact O-N 3.19Å
171L96.8Very high94.7Very high125 Ų12581.3 Ų81.365%0.65450%0.5SS*.G310 helixtrans-53.8-36.8164.4-67.2176.8000111.1G173 K174 V175 Y177L171-G173 PolarHBondContact O-N 3.2Å; L171-K174 PolarHBondContact O-N 2.99Å; L171-V175 PolarHBondContact O-N 3.1Å; L171-Y177 HydrophobicContact CB-CE2 4.13Å
172A94.2Very high92.8Very high42 Ų4281.4 Ų81.435%0.34750%0.503SS..G310 helixtrans-64.3-16.7175.100000114S170 K174 V175 Y177 V180S170-A172 PolarHBondContact O-N 3.4Å; S170-A172 PolarHBondContact OG-N 2.93Å; A172-K174 VanDerWaalsContact C-N 3.29Å; A172-V175 CarbonylContact C-O 3.6Å; A172-V175 WeakPolarHBondContact CA-O 3.35Å; A172-Y177 HydrophobicContact CB-CD2 4.05Å; A172-V180 HydrophobicContact CB-CG2 3.97Å
173G93.6Very high92.5Very high52 Ų5277.9 Ų77.954%0.53649%0.488SS..G310 helixtrans-84.3-1.1170.900000113.8S170 L171S170-G173 WeakPolarHBondContact O-CA 3.26Å; S170-G173 PolarHBondContact O-N 3.19Å; L171-G173 PolarHBondContact O-N 3.2Å
174K95.4Very high92.2Very high184 Ų18480.5 Ų80.580%0.850%0.499SS*.THydrogen-bonded Turntrans-123.4-35.3-179.6-68.6-62.5-174.9-177.30113.2L171 A172L171-K174 PolarHBondContact O-N 2.99Å; A172-K174 VanDerWaalsContact C-N 3.29Å
175V95.3Very high91.8Very high78 Ų7881.6 Ų81.647%0.47350%0.503SS..SBendtrans-131.8151.4176.2-59.20000109.8L171 A172 Y177L171-V175 PolarHBondContact O-N 3.1Å; A172-V175 CarbonylContact C-O 3.6Å; A172-V175 WeakPolarHBondContact CA-O 3.35Å; V175-Y177 HydrophobicContact CG2-CD2 4.16Å; V175-Y177 HydrophobicContact CG2-CE2 3.38Å
176A95.3Very high91.4Very high101 Ų10182.4 Ų82.484%0.83551%0.512SS*.  trans-76.9136.3-177.500000111.4
177Y93.6Very high91Very high118 Ų11884.1 Ų84.146%0.46352%0.523SS..  trans-127.3146.7167.7-68.3-91.7000109L171 A172 V175 V180L171-Y177 HydrophobicContact CB-CE2 4.13Å; A172-Y177 HydrophobicContact CB-CD2 4.05Å; V175-Y177 HydrophobicContact CG2-CD2 4.16Å; V175-Y177 HydrophobicContact CG2-CE2 3.38Å; Y177-V180 WeakPolarHBondContact O-CG2 3.16Å
178P93.9Very high90.4Very high102 Ų10283.7 Ų83.766%0.66252%0.522SS*.THydrogen-bonded Turntrans-67.8161.8167.531.5-35000110.3V180P178-V180 PolarHBondContact O-N 2.91Å; P178-V180 VanDerWaalsContact O-N 3.1Å
179M91.9Very high89.8Confident77 Ų7786.3 Ų86.338%0.37954%0.538SS..THydrogen-bonded Turntrans68-2.7174.4-46.1-67-175.100117.5L126 N127 L128L126-M179 WeakPolarHBondContact CA-O 3.17Å; L126-M179 HydrophobicContact CB-CB 4.17Å; L126-M179 HydrophobicContact CD2-CB 4.39Å; N127-M179 PolarHBondContact N-O 3.45Å; N127-M179 VanDerWaalsContact O-CA 3.26Å; N127-M179 WeakPolarHBondContact O-CA 3.15Å; L128-M179 HydrophobicContact CB-SD 4.22Å; L128-M179 HydrophobicContact CD1-CE 4.32Å; L128-M179 HydrophobicContact CD2-CE 3.38Å; L128-M179 HydrophobicContact CD2-SD 3.45Å; L128-M179 WeakPolarHBondContact CD2-SD 3.42Å; L128-M179 HydrophobicContact CG-CE 3.56Å; L128-M179 HydrophobicContact CG-SD 3.52Å; L128-M179 VanDerWaalsContact CG-SD 3.52Å; L128-M179 PolarHBondContact N-SD 2.92Å
180V84.9Confident89.3Confident57 Ų5785.9 Ų85.935%0.34553%0.531SS..  trans-111.41.2-176.5-57.50000113.8L126 A172 Y177 P178 A182L126-V180 HydrophobicContact CD2-CG1 3.73Å; A172-V180 HydrophobicContact CB-CG2 3.97Å; Y177-V180 WeakPolarHBondContact O-CG2 3.16Å; P178-V180 PolarHBondContact O-N 2.91Å; P178-V180 VanDerWaalsContact O-N 3.1Å; V180-A182 PolarHBondContact O-N 3.29Å
181A70.4Confident88.8Confident67 Ų6786.9 Ų86.955%0.55453%0.532SS*.  trans-65.4131.7174.300000109.1
182A60Low88Confident40 Ų4083.5 Ų83.533%0.33152%0.52SS..  trans-67.80163.400000110.2H135 V136 S139 V180H135-A182 PolarHBondContact CD2-OXT 3.04Å; H135-A182 VanDerWaalsContact CD2-OXT 3.24Å; V136-A182 VanDerWaalsContact CA-OXT 3.24Å; V136-A182 WeakPolarHBondContact CA-OXT 3.38Å; V136-A182 VanDerWaalsContact CG2-O 3.31Å; V136-A182 WeakPolarHBondContact CG2-O 3.31Å; V136-A182 WeakPolarHBondContact CG2-OXT 3.45Å; V136-A182 PolarHBondContact N-OXT 3.35Å; V136-A182 VanDerWaalsContact N-OXT 3.1Å; S139-A182 WeakPolarHBondContact OG-CB 3.24Å; V180-A182 PolarHBondContact O-N 3.29Å

Retrieved 182 of 182 residues in 140 ms (Link to these results)

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