A0A087XLS5_POEFO Loading...

LRP chaperone MESD

AlphaFold DB , UniProt , Accession A0A087XLS5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 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
1M55.2Low68.4Low212 Ų212115.1 Ų115.1100%1.04463%0.632SS**  0-38.50-66.1-147.2-116.400114.1S3 F4M1-S3 PolarHBondContact O-N 3.49Å; M1-F4 PolarHBondContact O-N 3.32Å
2A57.4Low69.5Low73 Ų73114.3 Ų114.360%0.60363%0.625SS**Hα-helixtrans-63.4-29.7-17800000115.9K6A2-K6 WeakPolarHBondContact O-CG 3.46Å; A2-K6 PolarHBondContact O-N 3.24Å
3S57.5Low70.3Confident90 Ų90114.2 Ų114.263%0.62962%0.622SS**Hα-helixtrans-71.9-35.8-179.3-132.70000113.1M1 K6 L7M1-S3 PolarHBondContact O-N 3.49Å; S3-K6 PolarHBondContact O-N 3.02Å; S3-L7 PolarHBondContact O-N 3.27Å; S3-L7 VanDerWaalsContact O-N 3.13Å
4F62.4Low71Confident166 Ų166113.4 Ų113.473%0.72862%0.616SS**Hα-helixtrans-70.4-36.9178.9-73.8-77.6000112.2M1 L7 A8M1-F4 PolarHBondContact O-N 3.32Å; F4-L7 PolarHBondContact O-N 3.02Å; F4-A8 WeakPolarHBondContact O-CB 3.42Å; F4-A8 PolarHBondContact O-N 3.39Å
5C61.2Low71.4Confident81 Ų81110.3 Ų110.355%0.54761%0.606SS.*Hα-helixtrans-63.6-41172.6-75.90000112.2L7 A8 F9C5-L7 VanDerWaalsContact C-N 3.34Å; C5-L7 PolarHBondContact O-N 3.5Å; C5-A8 PolarHBondContact O-N 3.33Å; C5-F9 WeakPolarHBondContact O-CD2 3.22Å; C5-F9 PolarHBondContact O-N 3.02Å
6K68.3Low71.7Confident153 Ų153107.9 Ų107.967%0.66560%0.595SS**Hα-helixtrans-64.4-39.1178-70.6-177.4179.8-173.60112.1A2 S3 V10A2-K6 WeakPolarHBondContact O-CG 3.46Å; A2-K6 PolarHBondContact O-N 3.24Å; S3-K6 PolarHBondContact O-N 3.02Å; K6-V10 VanDerWaalsContact O-CG2 3.31Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.01Å; K6-V10 VanDerWaalsContact O-N 3.16Å
7L73.6Confident71.8Confident114 Ų114105.3 Ų105.360%0.59759%0.585SS**Hα-helixtrans-69.5-40.5178.2-130.4152.8000111.8S3 F4 C5 V10 V11S3-L7 PolarHBondContact O-N 3.27Å; S3-L7 VanDerWaalsContact O-N 3.13Å; F4-L7 PolarHBondContact O-N 3.02Å; C5-L7 VanDerWaalsContact C-N 3.34Å; C5-L7 PolarHBondContact O-N 3.5Å; L7-V10 PolarHBondContact O-N 3.4Å; L7-V11 HydrophobicContact CD2-CG2 4.35Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.47Å
8A76.4Confident71.9Confident51 Ų51104.9 Ų104.942%0.42158%0.581SS.*Hα-helixtrans-63.2-41.6175.100000112.5F4 C5 V10 V11 I12F4-A8 WeakPolarHBondContact O-CB 3.42Å; F4-A8 PolarHBondContact O-N 3.39Å; C5-A8 PolarHBondContact O-N 3.33Å; A8-V10 PolarHBondContact O-N 3.07Å; A8-V11 PolarHBondContact O-N 2.97Å; A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.17Å; A8-I12 PolarHBondContact O-N 3Å
9F76.5Confident71.8Confident152 Ų152106 Ų10667%0.66759%0.586SS**Hα-helixtrans-64-38.7176-95.9-82.4000112.8C5 I12 L13C5-F9 WeakPolarHBondContact O-CD2 3.22Å; C5-F9 PolarHBondContact O-N 3.02Å; F9-I12 PolarHBondContact O-N 3.02Å; F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 2.97Å
10V80.8Confident71.6Confident94 Ų94110 Ų11057%0.5759%0.593SS**Hα-helixtrans-66.1-41.3176.51720000111.2K6 L7 A8 L13 L14K6-V10 VanDerWaalsContact O-CG2 3.31Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.01Å; K6-V10 VanDerWaalsContact O-N 3.16Å; L7-V10 PolarHBondContact O-N 3.4Å; A8-V10 PolarHBondContact O-N 3.07Å; V10-L13 PolarHBondContact O-N 2.99Å; V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 PolarHBondContact O-N 3.38Å
11V82.8Confident71.3Confident80 Ų80109.7 Ų109.749%0.48559%0.59SS.*Hα-helixtrans-66.2-41.7178.1173.60000111.6L7 A8 L14 C15L7-V11 HydrophobicContact CD2-CG2 4.35Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.47Å; A8-V11 PolarHBondContact O-N 2.97Å; V11-L14 PolarHBondContact O-N 3.5Å; V11-C15 WeakPolarHBondContact O-CB 3.46Å; V11-C15 PolarHBondContact O-N 3.1Å
12I81.8Confident71.6Confident106 Ų106103.7 Ų103.754%0.54457%0.569SS.*Hα-helixtrans-63.8-43.8176.9-68.1165.7000110.5A8 F9 L14 C15 T16A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.17Å; A8-I12 PolarHBondContact O-N 3Å; F9-I12 PolarHBondContact O-N 3.02Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.95Å; I12-C15 PolarHBondContact O-N 2.94Å; I12-T16 WeakPolarHBondContact O-CG2 3.43Å; I12-T16 PolarHBondContact O-N 2.98Å; I12-T16 PolarHBondContact O-OG1 3.27Å
13L80.3Confident71.7Confident113 Ų113103.3 Ų103.359%0.59257%0.566SS**Hα-helixtrans-63.3-40.4179.2-155.4150.5000111.1F9 V10 T16 C17F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 2.97Å; V10-L13 PolarHBondContact O-N 2.99Å; L13-T16 WeakPolarHBondContact CA-OG1 3.19Å; L13-T16 PolarHBondContact O-N 3.48Å; L13-T16 PolarHBondContact O-OG1 3.09Å; L13-C17 PolarHBondContact O-N 2.94Å; L13-C17 PolarHBondContact O-SG 3.39Å; L13-C17 VanDerWaalsContact O-SG 3.33Å
14L79.6Confident71.5Confident102 Ų102102.9 Ų102.953%0.53456%0.56SS.*Hα-helixtrans-68.6-39.3177.7-151.5141.1000112.4V10 V11 I12 C17 L18V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 PolarHBondContact O-N 3.38Å; V11-L14 PolarHBondContact O-N 3.5Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.95Å; L14-C17 PolarHBondContact O-N 2.99Å; L14-L18 HydrophobicContact CD2-CD1 3.93Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.49Å
15C77.1Confident70.9Confident68 Ų68101.2 Ų101.246%0.45956%0.558SS.*Hα-helixtrans-64.1-40.2172-82.80000112.5V11 I12 C17 L18 L19V11-C15 WeakPolarHBondContact O-CB 3.46Å; V11-C15 PolarHBondContact O-N 3.1Å; I12-C15 PolarHBondContact O-N 2.94Å; C15-C17 VanDerWaalsContact C-N 3.34Å; C15-L18 PolarHBondContact O-N 2.93Å; C15-L19 WeakPolarHBondContact O-CG 3.36Å; C15-L19 PolarHBondContact O-N 3.04Å; C15-L19 VanDerWaalsContact O-N 3.08Å
16T75.8Confident70.2Confident72 Ų72102.3 Ų102.344%0.44257%0.567SS.*Hα-helixtrans-67.7-33.8176.253.80000112.6I12 L13 Y20I12-T16 WeakPolarHBondContact O-CG2 3.43Å; I12-T16 PolarHBondContact O-N 2.98Å; I12-T16 PolarHBondContact O-OG1 3.27Å; L13-T16 WeakPolarHBondContact CA-OG1 3.19Å; L13-T16 PolarHBondContact O-N 3.48Å; L13-T16 PolarHBondContact O-OG1 3.09Å; T16-Y20 PolarHBondContact O-N 3.43Å; T16-Y20 VanDerWaalsContact O-N 3.11Å
17C73.9Confident69Low63 Ų6399.9 Ų99.943%0.42657%0.565SS.*Hα-helixtrans-66.5-42.3173.4-73.10000112.1L13 L14 C15 Y20 I21L13-C17 PolarHBondContact O-N 2.94Å; L13-C17 PolarHBondContact O-SG 3.39Å; L13-C17 VanDerWaalsContact O-SG 3.33Å; L14-C17 PolarHBondContact O-N 2.99Å; C15-C17 VanDerWaalsContact C-N 3.34Å; C17-Y20 PolarHBondContact O-N 3.31Å; C17-I21 VanDerWaalsContact O-CG1 3.32Å; C17-I21 WeakPolarHBondContact O-CG1 3.3Å; C17-I21 PolarHBondContact O-N 3.44Å; C17-I21 VanDerWaalsContact O-N 3.12Å
18L74.1Confident68.3Low98 Ų9898.4 Ų98.451%0.51358%0.577SS.*Hα-helixtrans-63.8-41.5177.4-75.5166.7000112L14 C15 Y20 I21 S22L14-L18 HydrophobicContact CD2-CD1 3.93Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.49Å; C15-L18 PolarHBondContact O-N 2.93Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; L18-Y20 PolarHBondContact O-N 3.31Å; L18-I21 PolarHBondContact O-N 2.76Å; L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 VanDerWaalsContact O-N 3.17Å; L18-S22 PolarHBondContact O-OG 3.27Å
19L69.3Low67.3Low126 Ų126104.1 Ų104.166%0.6659%0.592SS**Hα-helixtrans-64.5-35.5175.7-71.7172000112.7C15 A23C15-L19 WeakPolarHBondContact O-CG 3.36Å; C15-L19 PolarHBondContact O-N 3.04Å; C15-L19 VanDerWaalsContact O-N 3.08Å; L19-A23 PolarHBondContact O-N 3.14Å
20Y67.6Low66.2Low185 Ų185103 Ų10373%0.72560%0.6SS**Hα-helixtrans-67.1-36.9175.6-116.7-89.7000112.7T16 C17 L18 A23 T24T16-Y20 PolarHBondContact O-N 3.43Å; T16-Y20 VanDerWaalsContact O-N 3.11Å; C17-Y20 PolarHBondContact O-N 3.31Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; L18-Y20 PolarHBondContact O-N 3.31Å; Y20-A23 PolarHBondContact O-N 2.92Å; Y20-T24 VanDerWaalsContact O-CG2 3.24Å; Y20-T24 WeakPolarHBondContact O-CG2 3.14Å
21I66.8Low65.3Low104 Ų104105.8 Ų105.853%0.53361%0.605SS.*Hα-helixtrans-67.9-46.1178.7-65.5162.3000110.2C17 L18 A23 T24C17-I21 VanDerWaalsContact O-CG1 3.32Å; C17-I21 WeakPolarHBondContact O-CG1 3.3Å; C17-I21 PolarHBondContact O-N 3.44Å; C17-I21 VanDerWaalsContact O-N 3.12Å; L18-I21 PolarHBondContact O-N 2.76Å; I21-A23 PolarHBondContact O-N 2.82Å; I21-T24 PolarHBondContact O-N 2.98Å; I21-T24 VanDerWaalsContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 2.87Å
22S60.5Low64.4Low87 Ų87111.7 Ų111.761%0.60862%0.624SS**Hα-helixtrans-64.1-27178.8-57.60000113.7L18 T24L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 VanDerWaalsContact O-N 3.17Å; L18-S22 PolarHBondContact O-OG 3.27Å; S22-T24 VanDerWaalsContact C-N 3.29Å; S22-T24 PolarHBondContact O-N 2.89Å
23A59Low63.5Low65 Ų65116.3 Ų116.354%0.53764%0.64SS.*THydrogen-bonded Turntrans-74.6-16.3176.300000113.6L19 Y20 I21L19-A23 PolarHBondContact O-N 3.14Å; Y20-A23 PolarHBondContact O-N 2.92Å; I21-A23 PolarHBondContact O-N 2.82Å
24T53.5Low63Low81 Ų81116.1 Ų116.150%0.49764%0.635SS.*THydrogen-bonded Turntrans-88.5-12.1-175.667.20000114.5Y20 I21 S22 S26Y20-T24 VanDerWaalsContact O-CG2 3.24Å; Y20-T24 WeakPolarHBondContact O-CG2 3.14Å; I21-T24 PolarHBondContact O-N 2.98Å; I21-T24 VanDerWaalsContact O-N 3.09Å; I21-T24 PolarHBondContact O-OG1 2.87Å; S22-T24 VanDerWaalsContact C-N 3.29Å; S22-T24 PolarHBondContact O-N 2.89Å; T24-S26 PolarHBondContact O-N 3.23Å
25D49.7Very low62.6Low131 Ų131116.7 Ų116.770%0.70164%0.638SS**THydrogen-bonded Turntrans-82.4-5.9-176.5-80.4-33.8000114.7
26S47.1Very low61.9Low104 Ų104120.3 Ų120.373%0.72765%0.651SS**THydrogen-bonded Turntrans-95.62.5-17863.20000115.2T24T24-S26 PolarHBondContact O-N 3.23Å
27T44.1Very low61.7Low101 Ų101127.9 Ų127.962%0.6267%0.672SS**SBendtrans-102.7112.6179.658.10000111.5K29T27-K29 PolarHBondContact O-N 2.88Å
28G58.5Low61.7Low83 Ų83130.3 Ų130.386%0.85668%0.681SS**PPolyproline II helixtrans-51.5118-168.800000114.8
29K53.9Low61.7Low172 Ų172129.8 Ų129.875%0.74867%0.672SS**PPolyproline II helixtrans-94.3130.5165.8-61.2177.5-173.6168.80108.7T27 K31T27-K29 PolarHBondContact O-N 2.88Å; K29-K31 PolarHBondContact O-N 2.82Å
30P55Low62.1Low128 Ų128129 Ų12983%0.83167%0.669SS**PPolyproline II helixtrans-63.6127174.825.1-31.6000109.7K32P30-K32 PolarHBondContact O-N 3.01Å
31K60.8Low62.4Low153 Ų153126.4 Ų126.467%0.66567%0.668SS**PPolyproline II helixtrans-69128.1-177.7-67.9-175.8179-173.60109.7K29 K33K29-K31 PolarHBondContact O-N 2.82Å; K31-K33 PolarHBondContact O-N 3.09Å
32K64.3Low62.8Low203 Ų203124.8 Ų124.888%0.88367%0.67SS**PPolyproline II helixtrans-61.2132.9174.1-68.2-177.7178.4-177.70109.2P30 K34P30-K32 PolarHBondContact O-N 3.01Å; K32-K34 PolarHBondContact O-N 3.36Å
33K63.6Low63.4Low204 Ų204122.1 Ų122.189%0.88765%0.649SS**PPolyproline II helixtrans-63.4128174.8-60.1-178-179.7-175.10108.5K31K31-K33 PolarHBondContact O-N 3.09Å
34K69.3Low64.2Low109 Ų109123.1 Ų123.147%0.47464%0.643SS.*PPolyproline II helixtrans-76.3156173.8-80.5172.4175.11740109.8K32 Y39 D43K32-K34 PolarHBondContact O-N 3.36Å; K34-Y39 HydrophobicContact CB-CE2 4.17Å; K34-D43 IonicContact NZ-OD1 2.68Å; K34-D43 PolarHBondContact NZ-OD1 2.66Å; K34-D43 IonicContact NZ-OD2 3.09Å; K34-D43 PolarHBondContact NZ-OD2 2.85Å
35D70.3Confident65.1Low113 Ų113122 Ų12260%0.60464%0.642SS**PPolyproline II helixtrans-69.9145174.1-155.7-23.2000110R37 D38 Y39D35-R37 PolarHBondContact O-N 3.01Å; D35-R37 VanDerWaalsContact O-N 3.09Å; D35-D38 PolarHBondContact O-N 3.02Å; D35-Y39 VanDerWaalsContact O-CD2 3.28Å; D35-Y39 WeakPolarHBondContact O-CD2 3.47Å; D35-Y39 WeakPolarHBondContact O-CE2 3.46Å
36I63.2Low66.3Low144 Ų144121 Ų12174%0.73863%0.628SS**G310 helixtrans-60.6-26-169.6-77161.7000112.4
37R72.4Confident67.4Low231 Ų231118.2 Ų118.287%0.87261%0.605SS**G310 helixtrans-81.9-15.1-178.6-63.3-178.6178.4179.5-0.3114.2D35D35-R37 PolarHBondContact O-N 3.01Å; D35-R37 VanDerWaalsContact O-N 3.09Å
38D73.9Confident68.4Low115 Ų115117.9 Ų117.962%0.61560%0.599SS**G310 helixtrans-102.59.5-176.5-62.3-29.3000112.6D35 N40D35-D38 PolarHBondContact O-N 3.02Å; D38-N40 PolarHBondContact O-N 3.5Å
39Y73.4Confident68.9Low86 Ų86119.7 Ų119.734%0.33759%0.585SS.*  trans-71.2111.3174.9-82.5-92.8000109.9K34 D35 D43 L47K34-Y39 HydrophobicContact CB-CE2 4.17Å; D35-Y39 VanDerWaalsContact O-CD2 3.28Å; D35-Y39 WeakPolarHBondContact O-CD2 3.47Å; D35-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-D43 HydrophobicContact CD1-CB 3.7Å; Y39-D43 HydrophobicContact CE1-CB 4.27Å; Y39-L47 HydrophobicContact CD1-CD1 3.7Å; Y39-L47 HydrophobicContact CE1-CD1 3.45Å; Y39-L47 VanDerWaalsContact CE1-CD1 3.45Å; Y39-L47 HydrophobicContact CE1-CG 4.25Å
40N77.3Confident69.5Low110 Ų110116.1 Ų116.159%0.58857%0.571SS**  trans-92.6165.2173.4-168.711.8000110.2D38 A42 D43 M44D38-N40 PolarHBondContact O-N 3.5Å; N40-A42 PolarHBondContact O-N 3.4Å; N40-A42 VanDerWaalsContact O-N 3.09Å; N40-D43 WeakPolarHBondContact O-CA 3.24Å; N40-D43 WeakPolarHBondContact O-CB 3.43Å; N40-D43 PolarHBondContact O-N 3.13Å; N40-M44 PolarHBondContact O-N 3.47Å
41D73.8Confident70Confident131 Ų131117.8 Ų117.870%0.70156%0.561SS**Hα-helixtrans-57-30.2-176.8-147.821.9000112.9M44 A45D41-M44 WeakPolarHBondContact O-CB 3.44Å; D41-M44 PolarHBondContact O-N 3.34Å; D41-A45 PolarHBondContact O-N 3.41Å
42A75Confident69.9Low70 Ų70116.3 Ų116.358%0.57956%0.557SS**Hα-helixtrans-69.6-32.217200000113.8N40 R46N40-A42 PolarHBondContact O-N 3.4Å; N40-A42 VanDerWaalsContact O-N 3.09Å; A42-R46 VanDerWaalsContact O-CB 3.31Å; A42-R46 WeakPolarHBondContact O-CB 3.42Å; A42-R46 PolarHBondContact O-N 2.91Å; A42-R46 VanDerWaalsContact O-N 3.11Å
43D73.3Confident69.7Low30 Ų30114 Ų11416%0.1655%0.547CS..Hα-helixtrans-76.6-29172.3-68.7-52000110.6K34 Y39 N40 R46 L47K34-D43 IonicContact NZ-OD1 2.68Å; K34-D43 PolarHBondContact NZ-OD1 2.66Å; K34-D43 IonicContact NZ-OD2 3.09Å; K34-D43 PolarHBondContact NZ-OD2 2.85Å; Y39-D43 HydrophobicContact CD1-CB 3.7Å; Y39-D43 HydrophobicContact CE1-CB 4.27Å; N40-D43 WeakPolarHBondContact O-CA 3.24Å; N40-D43 WeakPolarHBondContact O-CB 3.43Å; N40-D43 PolarHBondContact O-N 3.13Å; D43-R46 PolarHBondContact O-N 3.38Å; D43-L47 WeakPolarHBondContact O-CB 3.1Å; D43-L47 VanDerWaalsContact O-CG 3.28Å; D43-L47 WeakPolarHBondContact O-CG 2.97Å; D43-L47 PolarHBondContact O-N 2.89Å
44M76.6Confident69.3Low86 Ų86110.8 Ų110.842%0.42454%0.539SS..Hα-helixtrans-68.3-43.6171.3-72.1-54.1-46.200112.4N40 D41 R46 L47 L48N40-M44 PolarHBondContact O-N 3.47Å; D41-M44 WeakPolarHBondContact O-CB 3.44Å; D41-M44 PolarHBondContact O-N 3.34Å; M44-R46 VanDerWaalsContact C-N 3.3Å; M44-R46 PolarHBondContact O-N 3.04Å; M44-L47 PolarHBondContact O-N 3.06Å; M44-L47 HydrophobicContact SD-CD1 4.15Å; M44-L48 WeakPolarHBondContact O-CB 3.47Å; M44-L48 WeakPolarHBondContact O-CG 3.23Å; M44-L48 PolarHBondContact O-N 2.83Å
45A72.4Confident68.3Low57 Ų57111 Ų11147%0.47155%0.545SS..Hα-helixtrans-63.1-38.2173.100000111.8D41 L48 E49D41-A45 PolarHBondContact O-N 3.41Å; A45-L48 PolarHBondContact O-N 3.43Å; A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 3.13Å
46R73.9Confident67.5Low110 Ų110112.2 Ų112.242%0.41555%0.552SS.*Hα-helixtrans-69.4-36.8175.3-169.4-167178.791.831.7112.6A42 D43 M44 Q50A42-R46 VanDerWaalsContact O-CB 3.31Å; A42-R46 WeakPolarHBondContact O-CB 3.42Å; A42-R46 PolarHBondContact O-N 2.91Å; A42-R46 VanDerWaalsContact O-N 3.11Å; D43-R46 PolarHBondContact O-N 3.38Å; M44-R46 VanDerWaalsContact C-N 3.3Å; M44-R46 PolarHBondContact O-N 3.04Å; R46-Q50 WeakPolarHBondContact O-CG 3.46Å; R46-Q50 PolarHBondContact O-N 3.25Å
47L70.1Confident66.9Low46 Ų46110.6 Ų110.624%0.24154%0.544CS..Hα-helixtrans-66.6-45.1171.8-81.7170.6000110Y39 D43 M44 E49 Q50 W51Y39-L47 HydrophobicContact CD1-CD1 3.7Å; Y39-L47 HydrophobicContact CE1-CD1 3.45Å; Y39-L47 VanDerWaalsContact CE1-CD1 3.45Å; Y39-L47 HydrophobicContact CE1-CG 4.25Å; D43-L47 WeakPolarHBondContact O-CB 3.1Å; D43-L47 VanDerWaalsContact O-CG 3.28Å; D43-L47 WeakPolarHBondContact O-CG 2.97Å; D43-L47 PolarHBondContact O-N 2.89Å; M44-L47 PolarHBondContact O-N 3.06Å; M44-L47 HydrophobicContact SD-CD1 4.15Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.5Å; L47-Q50 CarbonylContact O-C 3.52Å; L47-Q50 WeakPolarHBondContact O-CA 3.35Å; L47-Q50 WeakPolarHBondContact O-CB 3.24Å; L47-Q50 PolarHBondContact O-N 3.39Å; L47-W51 PolarHBondContact O-N 2.92Å
48L65.6Low65.8Low94 Ų94107.1 Ų107.149%0.49254%0.537SS..Hα-helixtrans-57.7-44.3174.2-82.7164.8000111.3M44 A45 Q50 W51 E52M44-L48 WeakPolarHBondContact O-CB 3.47Å; M44-L48 WeakPolarHBondContact O-CG 3.23Å; M44-L48 PolarHBondContact O-N 2.83Å; A45-L48 PolarHBondContact O-N 3.43Å; L48-Q50 VanDerWaalsContact C-N 3.25Å; L48-Q50 PolarHBondContact O-N 2.98Å; L48-W51 PolarHBondContact O-N 2.75Å; L48-E52 VanDerWaalsContact O-CB 3.29Å; L48-E52 WeakPolarHBondContact O-CB 3.47Å; L48-E52 VanDerWaalsContact O-CG 3.28Å; L48-E52 WeakPolarHBondContact O-CG 3.4Å; L48-E52 PolarHBondContact O-N 3.3Å
49E69.2Low64.7Low121 Ų121108.1 Ų108.157%0.56554%0.538SS*.Hα-helixtrans-63.1-30173.3-169.3-173.2-176.300112.4A45 L47 K53A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.5Å; E49-K53 WeakPolarHBondContact O-CB 3.31Å; E49-K53 PolarHBondContact O-N 2.85Å; E49-K53 VanDerWaalsContact O-N 3.13Å
50Q66.3Low63.7Low97 Ų97106.5 Ų106.545%0.45355%0.548SS..Hα-helixtrans-75-38173.4-78176.7-23.300112.6R46 L47 L48 D54R46-Q50 WeakPolarHBondContact O-CG 3.46Å; R46-Q50 PolarHBondContact O-N 3.25Å; L47-Q50 CarbonylContact O-C 3.52Å; L47-Q50 WeakPolarHBondContact O-CA 3.35Å; L47-Q50 WeakPolarHBondContact O-CB 3.24Å; L47-Q50 PolarHBondContact O-N 3.39Å; L48-Q50 VanDerWaalsContact C-N 3.25Å; L48-Q50 PolarHBondContact O-N 2.98Å; Q50-D54 WeakPolarHBondContact O-CB 3.38Å; Q50-D54 PolarHBondContact O-N 2.93Å
51W64.7Low62.8Low164 Ų164107.8 Ų107.862%0.62156%0.555SS**Hα-helixtrans-71.2-48.2175.5-82.284.2000111L47 L48 K53 D54 D55L47-W51 PolarHBondContact O-N 2.92Å; L48-W51 PolarHBondContact O-N 2.75Å; W51-K53 PolarHBondContact O-N 3.14Å; W51-D54 CarbonylContact O-C 3.59Å; W51-D54 PolarHBondContact O-N 3.09Å; W51-D54 VanDerWaalsContact O-N 3.1Å; W51-D55 VanDerWaalsContact O-CB 3.26Å; W51-D55 WeakPolarHBondContact O-CB 3.47Å; W51-D55 PolarHBondContact O-N 3.34Å
52E59.8Low61.9Low122 Ų122103 Ų10357%0.5753%0.529SS*.Hα-helixtrans-58.5-34.1174.1-71.4172.9176.500111.6L48 D56L48-E52 VanDerWaalsContact O-CB 3.29Å; L48-E52 WeakPolarHBondContact O-CB 3.47Å; L48-E52 VanDerWaalsContact O-CG 3.28Å; L48-E52 WeakPolarHBondContact O-CG 3.4Å; L48-E52 PolarHBondContact O-N 3.3Å; E52-D56 VanDerWaalsContact O-CB 3.32Å; E52-D56 WeakPolarHBondContact O-CB 3.39Å; E52-D56 VanDerWaalsContact O-CG 3.23Å; E52-D56 PolarHBondContact O-N 3.26Å
53K60.3Low61Low154 Ų154103.7 Ų103.767%0.6753%0.528SS*.Hα-helixtrans-79.6-24.8176.8-168.5168.3-166.2151.90114.7E49 W51E49-K53 WeakPolarHBondContact O-CB 3.31Å; E49-K53 PolarHBondContact O-N 2.85Å; E49-K53 VanDerWaalsContact O-N 3.13Å; W51-K53 PolarHBondContact O-N 3.14Å
54D54Low60.2Low137 Ų137108 Ų10873%0.73355%0.547SS*.Hα-helixtrans-91.4-23.9175.2-80.3-16.1000112.2Q50 W51Q50-D54 WeakPolarHBondContact O-CB 3.38Å; Q50-D54 PolarHBondContact O-N 2.93Å; W51-D54 CarbonylContact O-C 3.59Å; W51-D54 PolarHBondContact O-N 3.09Å; W51-D54 VanDerWaalsContact O-N 3.1Å
55D49.7Very low59.3Low112 Ų112110.8 Ų110.860%0.59956%0.558SS**Hα-helixtrans-90.7-8.9178.2-76.1-27.4000113.9W51 I57W51-D55 VanDerWaalsContact O-CB 3.26Å; W51-D55 WeakPolarHBondContact O-CB 3.47Å; W51-D55 PolarHBondContact O-N 3.34Å; D55-I57 PolarHBondContact O-N 2.93Å; D55-I57 VanDerWaalsContact O-N 3.1Å
56D52.8Low58.4Low140 Ų140116.5 Ų116.575%0.74957%0.568SS**SBendtrans-74.712.2178.2-99.8-8.7000114.8E52E52-D56 VanDerWaalsContact O-CB 3.32Å; E52-D56 WeakPolarHBondContact O-CB 3.39Å; E52-D56 VanDerWaalsContact O-CG 3.23Å; E52-D56 PolarHBondContact O-N 3.26Å
57I51.2Low57.7Low110 Ų110116.8 Ų116.856%0.56457%0.569SS**  trans-124.874.4171.6-37.4-178.8000110D55 E59 L62D55-I57 PolarHBondContact O-N 2.93Å; D55-I57 VanDerWaalsContact O-N 3.1Å; I57-E59 PolarHBondContact O-N 3.46Å; I57-L62 HydrophobicContact CB-CD1 4.19Å; I57-L62 HydrophobicContact CG2-CD1 3.16Å; I57-L62 HydrophobicContact CG2-CG 3.79Å
58E49Very low56.9Low158 Ų158118.9 Ų118.974%0.73859%0.588SS**  trans-48.9130.3166.5-138.7-179.1-166.600109.1G60 D61 L62E58-G60 PolarHBondContact O-N 2.88Å; E58-D61 PolarHBondContact O-N 2.68Å; E58-L62 WeakPolarHBondContact O-CD1 3.18Å
59E50.1Low56.4Low135 Ų135117.3 Ų117.363%0.63158%0.583SS**THydrogen-bonded Turntrans-60.7-10.6-172.8-161.9154-168.800113.7I57I57-E59 PolarHBondContact O-N 3.46Å
60G52.2Low55.9Low53 Ų53116.4 Ų116.455%0.54659%0.587SS.*THydrogen-bonded Turntrans-80.5-20171.900000116.3E58 R67E58-G60 PolarHBondContact O-N 2.88Å; G60-R67 PolarHBondContact O-NH2 3.33Å
61D58.5Low55.6Low137 Ų137118 Ų11873%0.73361%0.606SS**THydrogen-bonded Turntrans-1115.6-179.1-153.622.7000113.5E58E58-D61 PolarHBondContact O-N 2.68Å
62L54.5Low55.4Low30 Ų30111.9 Ų111.916%0.15759%0.587CS.*SBendtrans-63.9131.7170-8978000109.6I57 E58 E64 R66 R67I57-L62 HydrophobicContact CB-CD1 4.19Å; I57-L62 HydrophobicContact CG2-CD1 3.16Å; I57-L62 HydrophobicContact CG2-CG 3.79Å; E58-L62 WeakPolarHBondContact O-CD1 3.18Å; L62-E64 PolarHBondContact O-N 3.34Å; L62-R66 HydrophobicContact CB-CB 4.14Å; L62-R66 HydrophobicContact CD2-CB 3.26Å; L62-R66 HydrophobicContact CD2-CG 4.33Å; L62-R66 HydrophobicContact CG-CB 3.95Å; L62-R67 HydrophobicContact CB-CG 4.26Å
63P57.6Low55.1Low85 Ų85111.5 Ų111.555%0.55259%0.589SS**  trans-58.7143.6169-9.720.2000108.7H65 R66P63-H65 PolarHBondContact O-N 3.18Å; P63-H65 PolarHBondContact O-ND1 3.48Å; P63-R66 PolarHBondContact O-N 3.09Å
64E55.6Low54.8Low119 Ų119109.6 Ų109.656%0.55658%0.581SS**THydrogen-bonded Turntrans-48-20.7-169.8-162.3160.9-175.100114.9L62 R143L62-E64 PolarHBondContact O-N 3.34Å; E64-R143 IonicContact OE1-CZ 3.41Å; E64-R143 IonicContact OE1-NE 2.86Å; E64-R143 PolarHBondContact OE1-NE 3.02Å; E64-R143 IonicContact OE1-NH2 2.68Å; E64-R143 PolarHBondContact OE1-NH2 3.4Å; E64-R143 IonicContact OE2-CZ 3.47Å; E64-R143 IonicContact OE2-NH2 2.78Å; E64-R143 PolarHBondContact OE2-NH2 2.94Å
65H58Low55.3Low145 Ų145107.2 Ų107.267%0.67158%0.575SS**THydrogen-bonded Turntrans-71.1-19173.786.1-60.1000117.2P63P63-H65 PolarHBondContact O-N 3.18Å; P63-H65 PolarHBondContact O-ND1 3.48Å
66R54.3Low55.8Low178 Ų178110.6 Ų110.667%0.67258%0.584SS**THydrogen-bonded Turntrans-106.3-11.2-178.2-71.9-112.4-163.3166.210.1113.6L62 P63 S68L62-R66 HydrophobicContact CB-CB 4.14Å; L62-R66 HydrophobicContact CD2-CB 3.26Å; L62-R66 HydrophobicContact CD2-CG 4.33Å; L62-R66 HydrophobicContact CG-CB 3.95Å; P63-R66 PolarHBondContact O-N 3.09Å; R66-S68 PolarHBondContact O-N 2.99Å
67R58.1Low55.9Low116 Ų116105 Ų10544%0.43856%0.555SS.*SBendtrans-65.9126173.4-69.8-171179.7138.61.9108.4G60 L62G60-R67 PolarHBondContact O-NH2 3.33Å; L62-R67 HydrophobicContact CB-CG 4.26Å
68S53.8Low56.1Low90 Ų90106 Ų10663%0.62956%0.562SS**PPolyproline II helixtrans-61.4126.1173.159.10000107.7R66R66-S68 PolarHBondContact O-N 2.99Å
69P54.5Low56.7Low60 Ų60104 Ų10439%0.3956%0.562SS.*PPolyproline II helixtrans-61.9143.6-178.823.4-31.7000108.9
70P59.3Low57.4Low102 Ų102102.7 Ų102.766%0.66257%0.568SS**PPolyproline II helixtrans-49.1134.9177.5-25.832.1000110.6V72P70-V72 PolarHBondContact O-N 3.36Å
71P60.4Low57.9Low130 Ų130106.8 Ų106.884%0.84457%0.571SS**PPolyproline II helixtrans-57.7118.1178.3-19.629.1000109.5D73P71-D73 PolarHBondContact O-N 2.77Å
72V59.4Low58.2Low37 Ų37104.6 Ų104.622%0.22456%0.564CS.*  trans-75.5113.6174.7-179.20000106.6P70 F74P70-V72 PolarHBondContact O-N 3.36Å; V72-F74 HydrophobicContact CB-CE1 4.34Å; V72-F74 HydrophobicContact CB-CE2 3.94Å; V72-F74 HydrophobicContact CB-CZ 3.81Å; V72-F74 HydrophobicContact CG1-CD1 4.18Å; V72-F74 HydrophobicContact CG1-CE1 3.75Å; V72-F74 HydrophobicContact CG1-CE2 4.17Å; V72-F74 HydrophobicContact CG1-CZ 3.74Å; V72-F74 WeakPolarHBondContact O-CD2 3.42Å; V72-F74 VanDerWaalsContact O-CE2 3.29Å; V72-F74 WeakPolarHBondContact O-CE2 3.26Å; V72-F74 PolarHBondContact O-N 3.2Å
73D53.3Low58.6Low114 Ų114107.5 Ų107.561%0.6158%0.577SS**  trans-79.1100178.1-170.6-3.8000109.5P71 S75P71-D73 PolarHBondContact O-N 2.77Å; D73-S75 VanDerWaalsContact CG-OG 3.25Å; D73-S75 PolarHBondContact O-N 2.92Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 3.43Å; D73-S75 PolarHBondContact OD1-OG 3.37Å; D73-S75 PolarHBondContact OD2-OG 2.98Å
74F54.6Low58.9Low113 Ų113106.3 Ų106.350%0.49657%0.566SS.*G310 helixtrans-78.13.6-178-63.4-78.3000113.7V72 K76V72-F74 HydrophobicContact CB-CE1 4.34Å; V72-F74 HydrophobicContact CB-CE2 3.94Å; V72-F74 HydrophobicContact CB-CZ 3.81Å; V72-F74 HydrophobicContact CG1-CD1 4.18Å; V72-F74 HydrophobicContact CG1-CE1 3.75Å; V72-F74 HydrophobicContact CG1-CE2 4.17Å; V72-F74 HydrophobicContact CG1-CZ 3.74Å; V72-F74 WeakPolarHBondContact O-CD2 3.42Å; V72-F74 VanDerWaalsContact O-CE2 3.29Å; V72-F74 WeakPolarHBondContact O-CE2 3.26Å; V72-F74 PolarHBondContact O-N 3.2Å; F74-K76 PolarHBondContact O-N 3.33Å
75S64.4Low59.3Low87 Ų87103.9 Ų103.961%0.60856%0.556SS**G310 helixtrans-69.8-11.7-175.361.20000114.9D73D73-S75 VanDerWaalsContact CG-OG 3.25Å; D73-S75 PolarHBondContact O-N 2.92Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 3.43Å; D73-S75 PolarHBondContact OD1-OG 3.37Å; D73-S75 PolarHBondContact OD2-OG 2.98Å
76K59.5Low59.7Low184 Ų18499.8 Ų99.880%0.854%0.539SS*.G310 helixtrans-11811-174.6-62-177-175.51760115F74F74-K76 PolarHBondContact O-N 3.33Å
77V55Low60.2Low23 Ų2394.2 Ų94.214%0.13952%0.52CS..  trans-107.9121.4-173.2-163.40000110.8P79 L85 M88V77-P79 WeakPolarHBondContact O-CD 3.47Å; V77-L85 HydrophobicContact CG1-CB 4.05Å; V77-L85 HydrophobicContact CG1-CD1 4.35Å; V77-L85 HydrophobicContact CG1-CG 4.46Å; V77-M88 HydrophobicContact CG2-CE 4.47Å; V77-M88 HydrophobicContact CG2-SD 3.63Å
78D56.8Low60.4Low130 Ų13093.1 Ų93.170%0.69552%0.521SS*.  trans-65.3119.7172-83.8-39.7000110.3S80 K81D78-S80 PolarHBondContact O-N 3.41Å; D78-K81 PolarHBondContact O-N 3.33Å
79P60.6Low61.1Low116 Ų11690 Ų9075%0.75350%0.499SS*.THydrogen-bonded Turntrans-69.5-0.6-178.327.4-33.9000113.9V77V77-P79 WeakPolarHBondContact O-CD 3.47Å
80S64.8Low61.7Low108 Ų10889.4 Ų89.476%0.75549%0.49SS*.THydrogen-bonded Turntrans-83.9-14-177.6-58.70000113.7D78D78-S80 PolarHBondContact O-N 3.41Å
81K62.9Low62.1Low138 Ų13891.6 Ų91.660%0.649%0.489SS*.  trans-124.392.4177.4-71.1-175.5-1751750110.6D78 E83 D84D78-K81 PolarHBondContact O-N 3.33Å; K81-E83 PolarHBondContact O-N 3.16Å; K81-E83 VanDerWaalsContact O-N 3.08Å; K81-D84 PolarHBondContact O-N 3.49Å
82P64.2Low62.3Low91 Ų9188.2 Ų88.259%0.59148%0.478SS*.Hα-helixtrans-61.6-20.3-17825.2-34.3000113.4L86P82-L86 PolarHBondContact O-N 3Å; P82-L86 VanDerWaalsContact O-N 3.11Å
83E63Low63Low92 Ų9291.4 Ų91.443%0.4349%0.486SS..Hα-helixtrans-66.2-40.2178.4-61.2-174.2169.800113.1K81 K87 W149K81-E83 PolarHBondContact O-N 3.16Å; K81-E83 VanDerWaalsContact O-N 3.08Å; E83-K87 WeakPolarHBondContact O-CG 3.31Å; E83-K87 PolarHBondContact O-N 3.36Å; E83-K87 VanDerWaalsContact O-N 3.15Å; E83-W149 HydrophobicContact CG-CH2 3.88Å; E83-W149 HydrophobicContact CG-CZ2 3.94Å; E83-W149 WeakPolarHBondContact OE1-CH2 3.41Å; E83-W149 WeakPolarHBondContact OE1-CZ2 3.46Å; E83-W149 WeakPolarHBondContact OE2-CZ2 3.31Å
84D63.7Low64.3Low60 Ų6091.3 Ų91.332%0.32149%0.49SS..Hα-helixtrans-79.4-28.5-178.6-71.6-23.7000111.6K81 K87 M88K81-D84 PolarHBondContact O-N 3.49Å; D84-K87 PolarHBondContact O-N 3.06Å; D84-K87 IonicContact OD1-NZ 2.79Å; D84-K87 PolarHBondContact OD1-NZ 3.49Å; D84-K87 VanDerWaalsContact OD1-NZ 3.16Å; D84-M88 WeakPolarHBondContact O-CG 3.34Å; D84-M88 PolarHBondContact O-N 3.01Å
85L64.3Low65.8Low67 Ų6786.3 Ų86.335%0.35147%0.469SS..Hα-helixtrans-67.1-39.5171.7-169.4142.5000111.7V77 M88 S89V77-L85 HydrophobicContact CG1-CB 4.05Å; V77-L85 HydrophobicContact CG1-CD1 4.35Å; V77-L85 HydrophobicContact CG1-CG 4.46Å; L85-M88 PolarHBondContact O-N 3.25Å; L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 2.9Å
86L65.8Low66.9Low60 Ų6087.5 Ų87.531%0.31447%0.466SS..Hα-helixtrans-64-43.5173.5-87.3155.6000111.7P82 M88 S89 K90P82-L86 PolarHBondContact O-N 3Å; P82-L86 VanDerWaalsContact O-N 3.11Å; L86-M88 PolarHBondContact O-N 3.08Å; L86-S89 PolarHBondContact O-N 3.42Å; L86-K90 WeakPolarHBondContact O-CB 3.41Å; L86-K90 WeakPolarHBondContact O-CG 3.03Å; L86-K90 PolarHBondContact O-N 2.98Å; L86-K90 VanDerWaalsContact O-N 3.1Å
87K66.1Low68.2Low61 Ų6178.7 Ų78.727%0.26543%0.428SS..Hα-helixtrans-61-45176.3-70.9170.8-167.8164.70112.5E83 D84 K91 W149E83-K87 WeakPolarHBondContact O-CG 3.31Å; E83-K87 PolarHBondContact O-N 3.36Å; E83-K87 VanDerWaalsContact O-N 3.15Å; D84-K87 PolarHBondContact O-N 3.06Å; D84-K87 IonicContact OD1-NZ 2.79Å; D84-K87 PolarHBondContact OD1-NZ 3.49Å; D84-K87 VanDerWaalsContact OD1-NZ 3.16Å; K87-K91 PolarHBondContact O-N 3.11Å; K87-K91 VanDerWaalsContact O-N 3.11Å; K87-W149 HydrophobicContact CD-CB 4.47Å; K87-W149 VanDerWaalsContact CE-CG 3.49Å; K87-W149 HydrophobicContact CG-CB 4.42Å
88M62Low69.8Low93 Ų9380.6 Ų80.646%0.45843%0.434SS..Hα-helixtrans-73.2-36.4-179.3-66.6-171.9-151.800112.4V77 D84 L85 L86 K90V77-M88 HydrophobicContact CG2-CE 4.47Å; V77-M88 HydrophobicContact CG2-SD 3.63Å; D84-M88 WeakPolarHBondContact O-CG 3.34Å; D84-M88 PolarHBondContact O-N 3.01Å; L85-M88 PolarHBondContact O-N 3.25Å; L86-M88 PolarHBondContact O-N 3.08Å; M88-K90 VanDerWaalsContact C-N 3.27Å; M88-K90 PolarHBondContact O-N 3.15Å
89S67.6Low71.3Confident25 Ų2574.4 Ų74.418%0.17540%0.401CS..Hα-helixtrans-69-24.7177.3-1790000113.5L85 L86L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 2.9Å; L86-S89 PolarHBondContact O-N 3.42Å
90K68.6Low72.5Confident46 Ų4670.6 Ų70.620%0.238%0.375CS..Hα-helixtrans-108.43-175.7-56.2-66.4174147.10113.2L86 M88 G92 R93 L95 G145 E167L86-K90 WeakPolarHBondContact O-CB 3.41Å; L86-K90 WeakPolarHBondContact O-CG 3.03Å; L86-K90 PolarHBondContact O-N 2.98Å; L86-K90 VanDerWaalsContact O-N 3.1Å; M88-K90 VanDerWaalsContact C-N 3.27Å; M88-K90 PolarHBondContact O-N 3.15Å; K90-G92 PolarHBondContact O-N 2.68Å; K90-R93 PolarHBondContact O-N 3.19Å; K90-L95 HydrophobicContact CB-CD1 4.15Å; K90-L95 HydrophobicContact CG-CD1 4.13Å; K90-G145 VanDerWaalsContact O-CA 3.3Å; K90-G145 WeakPolarHBondContact O-CA 3.26Å; K90-G145 PolarHBondContact O-N 3.09Å; K90-E167 WeakPolarHBondContact CD-OE1 3.4Å; K90-E167 WeakPolarHBondContact CE-OE1 3.38Å; K90-E167 VanDerWaalsContact CE-OE2 3.24Å; K90-E167 WeakPolarHBondContact CE-OE2 3.27Å; K90-E167 VanDerWaalsContact NZ-CD 3.27Å; K90-E167 IonicContact NZ-OE1 3.6Å; K90-E167 PolarHBondContact NZ-OE1 3.38Å; K90-E167 IonicContact NZ-OE2 3.16Å; K90-E167 PolarHBondContact NZ-OE2 2.88Å; K90-E167 VanDerWaalsContact NZ-OE2 3.09Å
91K66.5Low73.5Confident148 Ų14865.5 Ų65.564%0.64334%0.34SS*.THydrogen-bonded Turntrans-62.2120.5171.9-168.9176.1-176.7179.80110K87 R93 D144K87-K91 PolarHBondContact O-N 3.11Å; K87-K91 VanDerWaalsContact O-N 3.11Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 2.89Å; K91-D144 WeakPolarHBondContact CA-OD1 3.41Å
92G65.3Low74.4Confident60 Ų6059.8 Ų59.862%0.61932%0.317SS*.THydrogen-bonded Turntrans76.311.1-176.100000115K90 D144K90-G92 PolarHBondContact O-N 2.68Å; G92-D144 PolarHBondContact N-OD1 2.9Å
93R73.8Confident74.8Confident103 Ų10358.5 Ų58.539%0.38932%0.321SS..SBendtrans-107.8143.7168.2-62.8-171.1-173.7-157.94.5109.9K90 K91 L95 R143 G145K90-R93 PolarHBondContact O-N 3.19Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 2.89Å; R93-L95 PolarHBondContact O-N 3.43Å; R93-R143 CarbonylContact C-O 3.4Å; R93-G145 PolarHBondContact O-N 3.29Å
94T80.9Confident75Confident112 Ų11261.1 Ų61.169%0.68734%0.338SS*.  trans-66.3132.117249.60000109.9L142T94-L142 CarbonylContact C-O 3.57Å; T94-L142 WeakPolarHBondContact CA-O 3.44Å
95L85.4Confident75.5Confident9 Ų958.6 Ų58.65%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-125130178.5-162.8151.9000109.7K90 R93 V97 L142 A148 V166 E167K90-L95 HydrophobicContact CB-CD1 4.15Å; K90-L95 HydrophobicContact CG-CD1 4.13Å; R93-L95 PolarHBondContact O-N 3.43Å; L95-V97 HydrophobicContact CD2-CG2 3.58Å; L95-L142 PolarHBondContact N-O 2.97Å; L95-L142 PolarHBondContact O-N 3.39Å; L95-A148 HydrophobicContact CD1-CB 3.93Å; L95-A148 HydrophobicContact CD2-CB 3.82Å; L95-A148 HydrophobicContact CG-CB 4.3Å; L95-V166 HydrophobicContact CD1-CG1 4.43Å; L95-V166 HydrophobicContact CD2-CG1 3.73Å; L95-E167 HydrophobicContact CD1-CG 3.86Å; L95-E167 WeakPolarHBondContact CD1-OE1 3.25Å; L95-E167 HydrophobicContact CD2-CG 4.3Å; L95-E167 HydrophobicContact CG-CG 4.08Å
96M87.3Confident76.2Confident111 Ų11158.2 Ų58.255%0.54733%0.327SS..EExtended strand (participates in β ladder)trans-94.2120.8176.8-69.1-177.3-87.300110.4F98 I139 F140 M141M96-F98 HydrophobicContact CB-CE2 4.49Å; M96-I139 HydrophobicContact CB-CG2 4.37Å; M96-F140 WeakPolarHBondContact CA-O 3.19Å; M96-M141 HydrophobicContact CG-CG 4.32Å
97V88.5Confident76.9Confident0 Ų060.5 Ų60.50%034%0.336CS..EExtended strand (participates in β ladder)trans-109.3125.2176178.10000109L95 I139 F140 L142 A148 L155 V164 V166L95-V97 HydrophobicContact CD2-CG2 3.58Å; V97-I139 WeakPolarHBondContact O-CA 3.38Å; V97-F140 HydrophobicContact CB-CB 4.49Å; V97-F140 PolarHBondContact N-O 2.87Å; V97-F140 PolarHBondContact O-N 3.43Å; V97-L142 HydrophobicContact CB-CD1 4.18Å; V97-L142 HydrophobicContact CG2-CD1 3.69Å; V97-A148 HydrophobicContact CG2-CB 4.43Å; V97-L155 HydrophobicContact CG1-CD1 4.17Å; V97-V164 HydrophobicContact CG1-CG1 3.43Å; V97-V164 VanDerWaalsContact CG1-CG1 3.43Å; V97-V166 HydrophobicContact CG1-CG2 4.18Å; V97-V166 HydrophobicContact CG2-CG2 4.26Å
98F88.4Confident77.7Confident62 Ų6265.1 Ų65.127%0.27236%0.356SS..EExtended strand (participates in β ladder)trans-96124.7175.6-60.9-96.2000109.3M96 I139 V164 T165M96-F98 HydrophobicContact CB-CE2 4.49Å; F98-I139 HydrophobicContact CD1-CD1 3.98Å; F98-I139 HydrophobicContact CD1-CG1 3.66Å; F98-I139 HydrophobicContact CE1-CD1 3.4Å; F98-I139 VanDerWaalsContact CE1-CD1 3.4Å; F98-I139 HydrophobicContact CE1-CG1 3.64Å; F98-I139 HydrophobicContact CZ-CD1 4.2Å; F98-V164 CarbonylContact O-C 3.55Å; F98-V164 WeakPolarHBondContact O-CA 3.15Å; F98-T165 PolarHBondContact N-O 3.42Å; F98-T165 PolarHBondContact O-N 2.81Å
99A87.9Confident78.8Confident0 Ų065 Ų650%036%0.355CS..EExtended strand (participates in β ladder)trans-115.2131.9174.300000109.9W117 V138 F140 L155A99-W117 HydrophobicContact CB-CZ3 4.38Å; A99-V138 PolarHBondContact N-O 2.77Å; A99-V138 PolarHBondContact O-N 3.25Å; A99-F140 HydrophobicContact CB-CD2 4.33Å; A99-F140 HydrophobicContact CB-CE2 4.05Å; A99-L155 HydrophobicContact CB-CD1 4.31Å
100T86.4Confident79.6Confident36 Ų3663.8 Ų63.822%0.22135%0.346CS..EExtended strand (participates in β ladder)trans-102.8125170.8-58.20000109.1N136 A162 D163T100-N136 WeakPolarHBondContact CA-O 3.43Å; T100-A162 HydrophobicContact CG2-CB 4.15Å; T100-A162 PolarHBondContact O-N 2.95Å; T100-D163 PolarHBondContact N-O 3.49Å
101V85.6Confident80.4Confident2 Ų265.4 Ų65.41%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-84.8129.4176.2-173.70000109.2P105 T110 I113 T114 W117 N136 R160V101-P105 HydrophobicContact CB-CG 4.29Å; V101-P105 HydrophobicContact CG1-CG 3.95Å; V101-T110 HydrophobicContact CG2-CG2 4.17Å; V101-I113 HydrophobicContact CG1-CD1 4.21Å; V101-T114 HydrophobicContact CG2-CG2 4.12Å; V101-W117 HydrophobicContact CG2-CH2 4.03Å; V101-W117 HydrophobicContact CG2-CZ3 4.11Å; V101-N136 PolarHBondContact N-O 2.87Å; V101-R160 WeakPolarHBondContact CG1-O 3.3Å
102S81.8Confident81.5Confident18 Ų1864.8 Ų64.813%0.12635%0.354CS..SBendtrans-76.2149.7178.469.30000111.9R160S102-R160 PolarHBondContact N-O 3.38Å; S102-R160 VanDerWaalsContact OG-C 3.29Å; S102-R160 WeakPolarHBondContact OG-CA 3.18Å; S102-R160 PolarHBondContact OG-O 3.49Å
103G72.8Confident82.5Confident64 Ų6463.4 Ų63.466%0.6633%0.332SS*.SBendtrans10215.4169.400000116.2P105G103-P105 VanDerWaalsContact C-N 3.3Å
104N66.9Low83.2Confident147 Ų14758.5 Ų58.579%0.78631%0.314SS*.  trans41.951-175.3-65.9-28.6000113.6
105P73Confident83.6Confident7 Ų754.4 Ų54.45%0.04529%0.294CS..  trans-63.5156.3176.329.1-36.2000111.4V101 G103 E109 T110V101-P105 HydrophobicContact CB-CG 4.29Å; V101-P105 HydrophobicContact CG1-CG 3.95Å; G103-P105 VanDerWaalsContact C-N 3.3Å; P105-E109 WeakPolarHBondContact CA-OE2 3.29Å; P105-E109 HydrophobicContact CB-CB 3.84Å; P105-T110 VanDerWaalsContact CG-OG1 3.24Å; P105-T110 WeakPolarHBondContact CG-OG1 3.35Å
106S79.5Confident83.8Confident58 Ų5859.9 Ų59.941%0.40632%0.322SS..  trans-65.9158.716665.80000110.9K108 E109 T110S106-K108 PolarHBondContact O-N 3.42Å; S106-E109 PolarHBondContact N-OE2 2.85Å; S106-E109 PolarHBondContact O-N 2.83Å; S106-E109 VanDerWaalsContact O-N 3.09Å; S106-E109 WeakPolarHBondContact OG-CG 3.46Å; S106-E109 PolarHBondContact OG-OE2 3.24Å; S106-T110 PolarHBondContact O-N 2.81Å; S106-T110 PolarHBondContact O-OG1 3.02Å
107E80.4Confident83.9Confident108 Ų10855.1 Ų55.151%0.50530%0.299SS..Hα-helixtrans-53.5-38.2178.8-175.4174.8-173.800112.5T110 E111 V132E107-T110 PolarHBondContact O-N 2.8Å; E107-E111 WeakPolarHBondContact O-CG 3.43Å; E107-E111 PolarHBondContact O-N 3.48Å; E107-V132 HydrophobicContact CG-CG1 4.44Å
108K83.5Confident83.9Confident158 Ų15858.2 Ų58.269%0.68731%0.313SS*.Hα-helixtrans-64.9-44.1177.3-64.6-173.6177-176.50113S106 T110 E111 E112S106-K108 PolarHBondContact O-N 3.42Å; K108-T110 VanDerWaalsContact C-N 3.32Å; K108-T110 PolarHBondContact O-N 3.28Å; K108-E111 WeakPolarHBondContact O-CB 3.44Å; K108-E111 PolarHBondContact O-N 3.12Å; K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.29Å
109E85.3Confident83.9Confident91 Ų9157.2 Ų57.243%0.42532%0.321SS..Hα-helixtrans-67.3-36.3177.3-69.7168.5135.900111.2P105 S106 E111 E112 I113P105-E109 WeakPolarHBondContact CA-OE2 3.29Å; P105-E109 HydrophobicContact CB-CB 3.84Å; S106-E109 PolarHBondContact N-OE2 2.85Å; S106-E109 PolarHBondContact O-N 2.83Å; S106-E109 VanDerWaalsContact O-N 3.09Å; S106-E109 WeakPolarHBondContact OG-CG 3.46Å; S106-E109 PolarHBondContact OG-OE2 3.24Å; E109-E111 VanDerWaalsContact C-N 3.35Å; E109-E112 PolarHBondContact O-N 3.08Å; E109-I113 WeakPolarHBondContact O-CB 3.35Å; E109-I113 WeakPolarHBondContact O-CD1 3.33Å; E109-I113 WeakPolarHBondContact O-CG1 3.28Å; E109-I113 PolarHBondContact O-N 2.86Å
110T84.2Confident84Confident0 Ų059.9 Ų59.90%034%0.339CS..Hα-helixtrans-63.6-41.3173.2-67.60000111.3V101 P105 S106 E107 K108 T114 S135 V138V101-T110 HydrophobicContact CG2-CG2 4.17Å; P105-T110 VanDerWaalsContact CG-OG1 3.24Å; P105-T110 WeakPolarHBondContact CG-OG1 3.35Å; S106-T110 PolarHBondContact O-N 2.81Å; S106-T110 PolarHBondContact O-OG1 3.02Å; E107-T110 PolarHBondContact O-N 2.8Å; K108-T110 VanDerWaalsContact C-N 3.32Å; K108-T110 PolarHBondContact O-N 3.28Å; T110-T114 HydrophobicContact CG2-CG2 4.25Å; T110-T114 VanDerWaalsContact O-CB 3.29Å; T110-T114 WeakPolarHBondContact O-CB 3.33Å; T110-T114 VanDerWaalsContact O-CG2 3.26Å; T110-T114 WeakPolarHBondContact O-CG2 3.47Å; T110-T114 PolarHBondContact O-N 3.44Å; T110-T114 PolarHBondContact O-OG1 3.47Å; T110-S135 WeakPolarHBondContact CB-O 3.42Å; T110-S135 PolarHBondContact OG1-O 3.3Å; T110-V138 HydrophobicContact CG2-CG2 3.52Å
111E85.9Confident84.2Confident79 Ų7958.3 Ų58.337%0.36933%0.329SS..Hα-helixtrans-61.8-43.5174.8-78.6179.1-177.400112.7E107 K108 E109 T114 G115 V132E107-E111 WeakPolarHBondContact O-CG 3.43Å; E107-E111 PolarHBondContact O-N 3.48Å; K108-E111 WeakPolarHBondContact O-CB 3.44Å; K108-E111 PolarHBondContact O-N 3.12Å; E109-E111 VanDerWaalsContact C-N 3.35Å; E111-T114 PolarHBondContact O-OG1 3.05Å; E111-G115 WeakPolarHBondContact O-CA 3.41Å; E111-G115 PolarHBondContact O-N 3.37Å; E111-V132 HydrophobicContact CG-CG2 3.88Å
112E87.9Confident84.3Confident136 Ų13665 Ų6564%0.63636%0.358SS*.Hα-helixtrans-65.1-49.1177.7-71.4174.1-171.500111.4K108 E109 T114 G115 L116K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.29Å; E109-E112 PolarHBondContact O-N 3.08Å; E112-T114 PolarHBondContact O-N 3.11Å; E112-G115 PolarHBondContact O-N 3.32Å; E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 2.93Å
113I88.1Confident84.7Confident30 Ų3070.8 Ų70.815%0.15439%0.388CS..Hα-helixtrans-62-46.4179.2-67.6165.7000110.7V101 E109 G115 L116 W117V101-I113 HydrophobicContact CG1-CD1 4.21Å; E109-I113 WeakPolarHBondContact O-CB 3.35Å; E109-I113 WeakPolarHBondContact O-CD1 3.33Å; E109-I113 WeakPolarHBondContact O-CG1 3.28Å; E109-I113 PolarHBondContact O-N 2.86Å; I113-G115 VanDerWaalsContact C-N 3.32Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.29Å; I113-W117 HydrophobicContact CG2-CD2 4.29Å; I113-W117 HydrophobicContact CG2-CH2 4.24Å; I113-W117 HydrophobicContact CG2-CZ2 3.66Å; I113-W117 PolarHBondContact O-N 3.08Å; I113-W117 VanDerWaalsContact O-N 3.08Å
114T87.8Confident85.4Confident0 Ų070.1 Ų70.10%038%0.377CS..Hα-helixtrans-74.6-24.3-179.7610000112.8V101 T110 E111 E112 W117 Q118 V138 F140V101-T114 HydrophobicContact CG2-CG2 4.12Å; T110-T114 HydrophobicContact CG2-CG2 4.25Å; T110-T114 VanDerWaalsContact O-CB 3.29Å; T110-T114 WeakPolarHBondContact O-CB 3.33Å; T110-T114 VanDerWaalsContact O-CG2 3.26Å; T110-T114 WeakPolarHBondContact O-CG2 3.47Å; T110-T114 PolarHBondContact O-N 3.44Å; T110-T114 PolarHBondContact O-OG1 3.47Å; E111-T114 PolarHBondContact O-OG1 3.05Å; E112-T114 PolarHBondContact O-N 3.11Å; T114-W117 HydrophobicContact CG2-CE3 3.98Å; T114-W117 HydrophobicContact CG2-CZ3 4.16Å; T114-W117 PolarHBondContact O-N 3.2Å; T114-Q118 WeakPolarHBondContact O-CB 3.39Å; T114-Q118 PolarHBondContact O-N 3.45Å; T114-V138 HydrophobicContact CG2-CB 3.93Å; T114-V138 HydrophobicContact CG2-CG1 4.02Å; T114-V138 HydrophobicContact CG2-CG2 3.46Å; T114-V138 VanDerWaalsContact CG2-CG2 3.46Å; T114-F140 HydrophobicContact CG2-CZ 4.49Å
115G88.3Confident86.3Confident27 Ų2770.3 Ų70.328%0.27838%0.377SS..Hα-helixtrans-64.5-41.1166.800000112.1E111 E112 I113 Q118 G119E111-G115 WeakPolarHBondContact O-CA 3.41Å; E111-G115 PolarHBondContact O-N 3.37Å; E112-G115 PolarHBondContact O-N 3.32Å; I113-G115 VanDerWaalsContact C-N 3.32Å; G115-Q118 PolarHBondContact O-N 3.42Å; G115-G119 PolarHBondContact O-N 3.16Å
116L89.7Confident86.9Confident123 Ų12372.4 Ų72.464%0.64439%0.385SS*.Hα-helixtrans-64.1-40.2173.2-68.7172.1000112E112 I113 G119 S120E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 2.93Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.29Å; L116-G119 PolarHBondContact O-N 3.46Å; L116-S120 WeakPolarHBondContact O-CB 3.24Å; L116-S120 PolarHBondContact O-N 2.9Å; L116-S120 PolarHBondContact O-OG 3.1Å
117W89.8Confident87.1Confident12 Ų1273.7 Ų73.75%0.04539%0.387CS..Hα-helixtrans-66.1-43.5175.2-63.3-9.8000111.6A99 V101 I113 T114 G119 S120 L121 F140 F154 L155 Q158 R160 C161A99-W117 HydrophobicContact CB-CZ3 4.38Å; V101-W117 HydrophobicContact CG2-CH2 4.03Å; V101-W117 HydrophobicContact CG2-CZ3 4.11Å; I113-W117 HydrophobicContact CG2-CD2 4.29Å; I113-W117 HydrophobicContact CG2-CH2 4.24Å; I113-W117 HydrophobicContact CG2-CZ2 3.66Å; I113-W117 PolarHBondContact O-N 3.08Å; I113-W117 VanDerWaalsContact O-N 3.08Å; T114-W117 HydrophobicContact CG2-CE3 3.98Å; T114-W117 HydrophobicContact CG2-CZ3 4.16Å; T114-W117 PolarHBondContact O-N 3.2Å; W117-G119 PolarHBondContact O-N 3.03Å; W117-S120 PolarHBondContact O-N 3.48Å; W117-L121 WeakPolarHBondContact O-CB 3.13Å; W117-L121 VanDerWaalsContact O-CG 3.23Å; W117-L121 WeakPolarHBondContact O-CG 3.35Å; W117-L121 PolarHBondContact O-N 3.11Å; W117-F140 HydrophobicContact CB-CZ 4.38Å; W117-F140 HydrophobicContact CE3-CE2 4.25Å; W117-F140 HydrophobicContact CE3-CZ 4.15Å; W117-F154 HydrophobicContact CB-CE1 4.39Å; W117-F154 HydrophobicContact CG-CE1 4.5Å; W117-L155 HydrophobicContact CD2-CD2 3.89Å; W117-L155 HydrophobicContact CE3-CD2 3.39Å; W117-L155 HydrophobicContact CG-CD2 4.4Å; W117-L155 HydrophobicContact CZ3-CD2 3.84Å; W117-Q158 HydrophobicContact CZ2-CB 3.93Å; W117-Q158 HydrophobicContact CZ2-CG 4.24Å; W117-R160 HydrophobicContact CZ2-CB 4.4Å; W117-C161 HydrophobicContact CH2-CB 4.03Å; W117-C161 HydrophobicContact CZ2-CB 4.46Å
118Q88.8Confident87.4Confident64 Ų6468.9 Ų68.930%0.29937%0.365SS..Hα-helixtrans-58.3-47.6173.8-176-172.1300111T114 G115 S120 L121 F122 V128T114-Q118 WeakPolarHBondContact O-CB 3.39Å; T114-Q118 PolarHBondContact O-N 3.45Å; G115-Q118 PolarHBondContact O-N 3.42Å; Q118-S120 VanDerWaalsContact C-N 3.31Å; Q118-S120 PolarHBondContact O-N 3.5Å; Q118-L121 PolarHBondContact O-N 3.06Å; Q118-F122 VanDerWaalsContact O-CB 3.25Å; Q118-F122 WeakPolarHBondContact O-CB 3.49Å; Q118-F122 PolarHBondContact O-N 3.06Å; Q118-V128 HydrophobicContact CG-CG2 4.27Å
119G89.3Confident87.6Confident42 Ų4266.1 Ų66.143%0.43336%0.355SS..Hα-helixtrans-62.3-38.1177.100000112.7G115 L116 W117 F122 N123G115-G119 PolarHBondContact O-N 3.16Å; L116-G119 PolarHBondContact O-N 3.46Å; W117-G119 PolarHBondContact O-N 3.03Å; G119-F122 PolarHBondContact O-N 3.35Å; G119-N123 WeakPolarHBondContact O-CB 3.44Å; G119-N123 PolarHBondContact O-N 3.41Å
120S89.8Confident87.8Confident56 Ų5665.6 Ų65.639%0.39235%0.349SS..Hα-helixtrans-66.1-43.2176.2-58.80000112L116 W117 Q118 N123 A124L116-S120 WeakPolarHBondContact O-CB 3.24Å; L116-S120 PolarHBondContact O-N 2.9Å; L116-S120 PolarHBondContact O-OG 3.1Å; W117-S120 PolarHBondContact O-N 3.48Å; Q118-S120 VanDerWaalsContact C-N 3.31Å; Q118-S120 PolarHBondContact O-N 3.5Å; S120-N123 PolarHBondContact O-N 3.11Å; S120-A124 PolarHBondContact O-N 2.98Å
121L89.2Confident88Confident3 Ų370 Ų702%0.01637%0.368CS..Hα-helixtrans-68.5-39.4177.3-69.9170.8000111.4W117 Q118 A124 Y126 V128 V151 F154W117-L121 WeakPolarHBondContact O-CB 3.13Å; W117-L121 VanDerWaalsContact O-CG 3.23Å; W117-L121 WeakPolarHBondContact O-CG 3.35Å; W117-L121 PolarHBondContact O-N 3.11Å; Q118-L121 PolarHBondContact O-N 3.06Å; L121-A124 PolarHBondContact O-N 3.47Å; L121-Y126 HydrophobicContact CB-CD2 4.43Å; L121-Y126 HydrophobicContact CD2-CD2 3.88Å; L121-Y126 HydrophobicContact CD2-CE2 4.48Å; L121-Y126 VanDerWaalsContact O-CB 3.29Å; L121-Y126 WeakPolarHBondContact O-CB 3.14Å; L121-Y126 WeakPolarHBondContact O-CD2 3.22Å; L121-Y126 PolarHBondContact O-N 3.44Å; L121-V128 HydrophobicContact CB-CG2 3.8Å; L121-V128 HydrophobicContact CD1-CG1 4.44Å; L121-V128 HydrophobicContact CD1-CG2 4.02Å; L121-V151 HydrophobicContact CD1-CG1 3.9Å; L121-V151 HydrophobicContact CD2-CB 4.41Å; L121-V151 HydrophobicContact CD2-CG1 4.12Å; L121-V151 HydrophobicContact CD2-CG2 3.92Å; L121-F154 HydrophobicContact CD2-CD1 3.81Å; L121-F154 HydrophobicContact CD2-CE1 4.25Å; L121-F154 HydrophobicContact CD2-CG 4.29Å; L121-F154 HydrophobicContact CG-CD1 4.2Å; L121-F154 HydrophobicContact CG-CE1 4.19Å
122F87.8Confident88Confident141 Ų14168.1 Ų68.162%0.61836%0.362SS*.Hα-helixtrans-66.5-37.4176.8-169.5-104000112.2Q118 G119 A124 N125Q118-F122 VanDerWaalsContact O-CB 3.25Å; Q118-F122 WeakPolarHBondContact O-CB 3.49Å; Q118-F122 PolarHBondContact O-N 3.06Å; G119-F122 PolarHBondContact O-N 3.35Å; F122-A124 PolarHBondContact O-N 3.41Å; F122-N125 WeakPolarHBondContact O-CA 3.45Å; F122-N125 PolarHBondContact O-N 3.21Å
123N90.6Very high87.9Confident140 Ų14065.6 Ų65.675%0.74936%0.356SS*.Hα-helixtrans-63.2-27.9174.5-167.918.1000112.6G119 S120 N125G119-N123 WeakPolarHBondContact O-CB 3.44Å; G119-N123 PolarHBondContact O-N 3.41Å; S120-N123 PolarHBondContact O-N 3.11Å; N123-N125 PolarHBondContact O-N 2.95Å
124A87.4Confident87.6Confident51 Ų5165.5 Ų65.542%0.42136%0.362SS..THydrogen-bonded Turntrans-83.812.417300000113.4S120 L121 F122 Y126S120-A124 PolarHBondContact O-N 2.98Å; L121-A124 PolarHBondContact O-N 3.47Å; F122-A124 PolarHBondContact O-N 3.41Å; A124-Y126 VanDerWaalsContact C-N 3.25Å; A124-Y126 HydrophobicContact CB-CD2 3.58Å; A124-Y126 HydrophobicContact CB-CE2 3.49Å; A124-Y126 VanDerWaalsContact CB-CE2 3.49Å; A124-Y126 HydrophobicContact CB-CG 4.44Å; A124-Y126 PolarHBondContact O-N 3.03Å
125N85.3Confident87.4Confident150 Ų15068.8 Ų68.880%0.80239%0.385SS*.THydrogen-bonded Turntrans61.226.4-174.1-62.5-35.8000114.5F122 N123F122-N125 WeakPolarHBondContact O-CA 3.45Å; F122-N125 PolarHBondContact O-N 3.21Å; N123-N125 PolarHBondContact O-N 2.95Å
126Y86.3Confident87.3Confident52 Ų5270.3 Ų70.320%0.20439%0.387CS..  trans-88.7117.6170.2-55.1-50.8000110.3L121 A124 V128 L147 E150L121-Y126 HydrophobicContact CB-CD2 4.43Å; L121-Y126 HydrophobicContact CD2-CD2 3.88Å; L121-Y126 HydrophobicContact CD2-CE2 4.48Å; L121-Y126 VanDerWaalsContact O-CB 3.29Å; L121-Y126 WeakPolarHBondContact O-CB 3.14Å; L121-Y126 WeakPolarHBondContact O-CD2 3.22Å; L121-Y126 PolarHBondContact O-N 3.44Å; A124-Y126 VanDerWaalsContact C-N 3.25Å; A124-Y126 HydrophobicContact CB-CD2 3.58Å; A124-Y126 HydrophobicContact CB-CE2 3.49Å; A124-Y126 VanDerWaalsContact CB-CE2 3.49Å; A124-Y126 HydrophobicContact CB-CG 4.44Å; A124-Y126 PolarHBondContact O-N 3.03Å; Y126-V128 PolarHBondContact O-N 2.86Å; Y126-L147 HydrophobicContact CD1-CB 4.46Å; Y126-L147 HydrophobicContact CD1-CD1 3.55Å; Y126-L147 HydrophobicContact CD1-CD2 4.21Å; Y126-L147 HydrophobicContact CD1-CG 4.28Å; Y126-L147 HydrophobicContact CE1-CB 4.44Å; Y126-L147 HydrophobicContact CE1-CD1 3.92Å; Y126-L147 HydrophobicContact CE1-CD2 3.65Å; Y126-L147 HydrophobicContact CE1-CG 4.2Å; Y126-E150 PolarHBondContact OH-OE2 3.07Å
127D84Confident87.2Confident84 Ų8469.7 Ų69.745%0.44938%0.376SS..  trans-7998173-173.417.9000109.7
128V87Confident87.1Confident8 Ų869.1 Ų69.15%0.04837%0.374CS..EExtended strand (participates in β ladder)trans-123.2128.4-178.5-58.60000110.8Q118 L121 Y126 L142Q118-V128 HydrophobicContact CG-CG2 4.27Å; L121-V128 HydrophobicContact CB-CG2 3.8Å; L121-V128 HydrophobicContact CD1-CG1 4.44Å; L121-V128 HydrophobicContact CD1-CG2 4.02Å; Y126-V128 PolarHBondContact O-N 2.86Å; V128-L142 HydrophobicContact CG1-CG 4.02Å
129Q87.8Confident87.2Confident99 Ų9967.2 Ų67.246%0.46337%0.365SS..EExtended strand (participates in β ladder)trans-100.3127.6172.6-61.3179.512.200109.3F131 F140 M141Q129-F131 HydrophobicContact CB-CE2 3.87Å; Q129-F131 HydrophobicContact CB-CZ 4.36Å; Q129-F140 CarbonylContact O-C 3.55Å; Q129-F140 WeakPolarHBondContact O-CA 3.48Å; Q129-M141 HydrophobicContact CB-CB 4.29Å; Q129-M141 HydrophobicContact CB-CE 4.25Å; Q129-M141 PolarHBondContact N-O 3.36Å; Q129-M141 PolarHBondContact O-N 2.86Å
130R88Confident87.2Confident81 Ų8165.2 Ų65.231%0.30635%0.345SS..EExtended strand (participates in β ladder)trans-100.5140.2179.274.3172.7-178.3104.38.4111.7V138 I139 F140R130-V138 HydrophobicContact CB-CG1 4.44Å; R130-I139 CarbonylContact C-O 3.49Å; R130-I139 WeakPolarHBondContact CA-O 3.4Å; R130-F140 HydrophobicContact CB-CD1 4.08Å; R130-F140 HydrophobicContact CB-CE1 3.91Å
131F88.9Confident87.2Confident93 Ų9365.5 Ų65.541%0.40834%0.341SS..EExtended strand (participates in β ladder)trans-132.8124.6170.3-59.4-87.1000109.8Q129 V133 V138 I139 M141Q129-F131 HydrophobicContact CB-CE2 3.87Å; Q129-F131 HydrophobicContact CB-CZ 4.36Å; F131-V133 HydrophobicContact CB-CG2 4.32Å; F131-V138 WeakPolarHBondContact O-CA 3.48Å; F131-V138 WeakPolarHBondContact O-CG1 3.42Å; F131-I139 HydrophobicContact CB-CB 4.42Å; F131-I139 PolarHBondContact N-O 2.79Å; F131-I139 PolarHBondContact O-N 2.94Å; F131-M141 HydrophobicContact CD2-CE 4.23Å; F131-M141 HydrophobicContact CD2-CG 3.91Å; F131-M141 HydrophobicContact CD2-SD 4.07Å; F131-M141 HydrophobicContact CE2-CE 3.18Å; F131-M141 HydrophobicContact CE2-CG 3.71Å; F131-M141 HydrophobicContact CE2-SD 3.57Å; F131-M141 VanDerWaalsContact CE2-SD 3.57Å; F131-M141 HydrophobicContact CZ-CE 3.57Å; F131-M141 HydrophobicContact CZ-SD 4.34Å
132V87Confident87.1Confident39 Ų3965.6 Ų65.624%0.23634%0.341CS..EExtended strand (participates in β ladder)trans-85119.6172.1-175.10000107.3E107 E111 G134 V138E107-V132 HydrophobicContact CG-CG1 4.44Å; E111-V132 HydrophobicContact CG-CG2 3.88Å; V132-G134 WeakPolarHBondContact CG1-O 3.45Å; V132-V138 HydrophobicContact CG2-CG2 4.13Å
133V84.3Confident86.8Confident83 Ų8365.3 Ų65.350%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-112.7-5.6-175.6-176.30000111.5F131 R137 I139F131-V133 HydrophobicContact CB-CG2 4.32Å; V133-R137 PolarHBondContact N-O 2.9Å; V133-R137 VanDerWaalsContact N-O 3.09Å; V133-I139 HydrophobicContact CB-CD1 4.34Å; V133-I139 HydrophobicContact CB-CG1 4.48Å; V133-I139 HydrophobicContact CG2-CD1 3.49Å; V133-I139 VanDerWaalsContact CG2-CD1 3.49Å; V133-I139 HydrophobicContact CG2-CG1 3.73Å
134G82.6Confident86.4Confident28 Ų2860.7 Ų60.729%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-172.1178.4171.100000111V132 N136 R137V132-G134 WeakPolarHBondContact CG1-O 3.45Å; G134-N136 PolarHBondContact O-N 3.23Å; G134-N136 VanDerWaalsContact O-N 3.09Å; G134-R137 PolarHBondContact N-O 3.48Å; G134-R137 PolarHBondContact O-N 3.42Å
135S84.4Confident86Confident68 Ų6858.5 Ų58.548%0.47629%0.293SS..THydrogen-bonded Turntrans-58.5-29.9-172.1-48.10000114.3T110T110-S135 WeakPolarHBondContact CB-O 3.42Å; T110-S135 PolarHBondContact OG1-O 3.3Å
136N86.2Confident85.7Confident60 Ų6052.6 Ų52.632%0.32126%0.264SS..THydrogen-bonded Turntrans-127.97.6-178.364.4-25.8000113.6T100 V101 G134T100-N136 WeakPolarHBondContact CA-O 3.43Å; V101-N136 PolarHBondContact N-O 2.87Å; G134-N136 PolarHBondContact O-N 3.23Å; G134-N136 VanDerWaalsContact O-N 3.09Å
137R86Confident85.5Confident109 Ų10952.3 Ų52.341%0.41127%0.265SS..EExtended strand (participates in β ladder)trans-123.9127.6-175.3-162.9174.992.9172.15.7112V133 G134V133-R137 PolarHBondContact N-O 2.9Å; V133-R137 VanDerWaalsContact N-O 3.09Å; G134-R137 PolarHBondContact N-O 3.48Å; G134-R137 PolarHBondContact O-N 3.42Å
138V88.6Confident85.5Confident0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-127.5143-179.1-179.90000110.1A99 T110 T114 R130 F131 V132 F140A99-V138 PolarHBondContact N-O 2.77Å; A99-V138 PolarHBondContact O-N 3.25Å; T110-V138 HydrophobicContact CG2-CG2 3.52Å; T114-V138 HydrophobicContact CG2-CB 3.93Å; T114-V138 HydrophobicContact CG2-CG1 4.02Å; T114-V138 HydrophobicContact CG2-CG2 3.46Å; T114-V138 VanDerWaalsContact CG2-CG2 3.46Å; R130-V138 HydrophobicContact CB-CG1 4.44Å; F131-V138 WeakPolarHBondContact O-CA 3.48Å; F131-V138 WeakPolarHBondContact O-CG1 3.42Å; V132-V138 HydrophobicContact CG2-CG2 4.13Å; V138-F140 HydrophobicContact CG1-CD2 4.47Å; V138-F140 HydrophobicContact CG1-CE2 4.02Å; V138-F140 HydrophobicContact CG1-CZ 4.08Å
139I90.8Very high85.2Confident24 Ų2450 Ų5012%0.12325%0.25CS..EExtended strand (participates in β ladder)trans-107.7128.5174.2-54.2-176.1000107.9M96 V97 F98 R130 F131 V133 M141M96-I139 HydrophobicContact CB-CG2 4.37Å; V97-I139 WeakPolarHBondContact O-CA 3.38Å; F98-I139 HydrophobicContact CD1-CD1 3.98Å; F98-I139 HydrophobicContact CD1-CG1 3.66Å; F98-I139 HydrophobicContact CE1-CD1 3.4Å; F98-I139 VanDerWaalsContact CE1-CD1 3.4Å; F98-I139 HydrophobicContact CE1-CG1 3.64Å; F98-I139 HydrophobicContact CZ-CD1 4.2Å; R130-I139 CarbonylContact C-O 3.49Å; R130-I139 WeakPolarHBondContact CA-O 3.4Å; F131-I139 HydrophobicContact CB-CB 4.42Å; F131-I139 PolarHBondContact N-O 2.79Å; F131-I139 PolarHBondContact O-N 2.94Å; V133-I139 HydrophobicContact CB-CD1 4.34Å; V133-I139 HydrophobicContact CB-CG1 4.48Å; V133-I139 HydrophobicContact CG2-CD1 3.49Å; V133-I139 VanDerWaalsContact CG2-CD1 3.49Å; V133-I139 HydrophobicContact CG2-CG1 3.73Å; I139-M141 HydrophobicContact CG2-CG 4.4Å
140F89.7Confident85.1Confident0 Ų050 Ų500%025%0.25CS..EExtended strand (participates in β ladder)trans-103.9121166.1-66.3-81.4000108.5M96 V97 A99 T114 W117 Q129 R130 V138 L142 L155M96-F140 WeakPolarHBondContact CA-O 3.19Å; V97-F140 HydrophobicContact CB-CB 4.49Å; V97-F140 PolarHBondContact N-O 2.87Å; V97-F140 PolarHBondContact O-N 3.43Å; A99-F140 HydrophobicContact CB-CD2 4.33Å; A99-F140 HydrophobicContact CB-CE2 4.05Å; T114-F140 HydrophobicContact CG2-CZ 4.49Å; W117-F140 HydrophobicContact CB-CZ 4.38Å; W117-F140 HydrophobicContact CE3-CE2 4.25Å; W117-F140 HydrophobicContact CE3-CZ 4.15Å; Q129-F140 CarbonylContact O-C 3.55Å; Q129-F140 WeakPolarHBondContact O-CA 3.48Å; R130-F140 HydrophobicContact CB-CD1 4.08Å; R130-F140 HydrophobicContact CB-CE1 3.91Å; V138-F140 HydrophobicContact CG1-CD2 4.47Å; V138-F140 HydrophobicContact CG1-CE2 4.02Å; V138-F140 HydrophobicContact CG1-CZ 4.08Å; F140-L142 HydrophobicContact CB-CD1 4.1Å; F140-L155 HydrophobicContact CD2-CD1 4.22Å; F140-L155 HydrophobicContact CE2-CD1 4.35Å; F140-L155 HydrophobicContact CE2-CD2 4.14Å
141M88.6Confident85Confident63 Ų6346.1 Ų46.131%0.3124%0.236SC..EExtended strand (participates in β ladder)trans-94.2113.6168.8-50-163.9-48.800107.8M96 Q129 F131 I139M96-M141 HydrophobicContact CG-CG 4.32Å; Q129-M141 HydrophobicContact CB-CB 4.29Å; Q129-M141 HydrophobicContact CB-CE 4.25Å; Q129-M141 PolarHBondContact N-O 3.36Å; Q129-M141 PolarHBondContact O-N 2.86Å; F131-M141 HydrophobicContact CD2-CE 4.23Å; F131-M141 HydrophobicContact CD2-CG 3.91Å; F131-M141 HydrophobicContact CD2-SD 4.07Å; F131-M141 HydrophobicContact CE2-CE 3.18Å; F131-M141 HydrophobicContact CE2-CG 3.71Å; F131-M141 HydrophobicContact CE2-SD 3.57Å; F131-M141 VanDerWaalsContact CE2-SD 3.57Å; F131-M141 HydrophobicContact CZ-CE 3.57Å; F131-M141 HydrophobicContact CZ-SD 4.34Å; I139-M141 HydrophobicContact CG2-CG 4.4Å
142L87.2Confident84.8Confident4 Ų442.4 Ų42.42%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-93.9138.6173.7-6777.6000108.2T94 L95 V97 V128 F140 L147 A148 V151T94-L142 CarbonylContact C-O 3.57Å; T94-L142 WeakPolarHBondContact CA-O 3.44Å; L95-L142 PolarHBondContact N-O 2.97Å; L95-L142 PolarHBondContact O-N 3.39Å; V97-L142 HydrophobicContact CB-CD1 4.18Å; V97-L142 HydrophobicContact CG2-CD1 3.69Å; V128-L142 HydrophobicContact CG1-CG 4.02Å; F140-L142 HydrophobicContact CB-CD1 4.1Å; L142-L147 HydrophobicContact CD2-CB 4.39Å; L142-A148 HydrophobicContact CD2-CB 4.22Å; L142-V151 HydrophobicContact CD2-CB 4.03Å; L142-V151 HydrophobicContact CD2-CG1 4.46Å; L142-V151 HydrophobicContact CD2-CG2 3.66Å
143R82.8Confident84.8Confident136 Ų13644.2 Ų44.251%0.51323%0.228SC..SBendtrans-72.2-33.2173-168.3169.8-175.5149.82.4112.5E64 R93E64-R143 IonicContact OE1-CZ 3.41Å; E64-R143 IonicContact OE1-NE 2.86Å; E64-R143 PolarHBondContact OE1-NE 3.02Å; E64-R143 IonicContact OE1-NH2 2.68Å; E64-R143 PolarHBondContact OE1-NH2 3.4Å; E64-R143 IonicContact OE2-CZ 3.47Å; E64-R143 IonicContact OE2-NH2 2.78Å; E64-R143 PolarHBondContact OE2-NH2 2.94Å; R93-R143 CarbonylContact C-O 3.4Å
144D82.3Confident84.9Confident43 Ų4343 Ų4323%0.2322%0.216CC..  trans-117.3113.9176.5-174.210.3000111K91 G92 S146 L147K91-D144 WeakPolarHBondContact CA-OD1 3.41Å; G92-D144 PolarHBondContact N-OD1 2.9Å; D144-S146 PolarHBondContact O-N 3.47Å; D144-S146 WeakPolarHBondContact OD1-CB 3.37Å; D144-S146 PolarHBondContact OD1-N 3.09Å; D144-S146 PolarHBondContact OD1-OG 3.25Å; D144-S146 PolarHBondContact OD2-OG 3.29Å; D144-L147 HydrophobicContact CB-CD1 4.18Å; D144-L147 HydrophobicContact CB-CG 4.42Å; D144-L147 PolarHBondContact O-N 3.17Å
145G78Confident85.1Confident4 Ų441.7 Ų41.74%0.04120%0.202CC..G310 helixtrans-71.4-11.8177.800000114.1K90 R93 L147 A148K90-G145 VanDerWaalsContact O-CA 3.3Å; K90-G145 WeakPolarHBondContact O-CA 3.26Å; K90-G145 PolarHBondContact O-N 3.09Å; R93-G145 PolarHBondContact O-N 3.29Å; G145-L147 PolarHBondContact O-N 3.46Å; G145-A148 WeakPolarHBondContact O-CB 3.42Å; G145-A148 PolarHBondContact O-N 2.81Å
146S79.2Confident85.2Confident27 Ų2739.7 Ų39.719%0.18919%0.187CC..G310 helixtrans-64-34.3173.378.30000112D144 A148D144-S146 PolarHBondContact O-N 3.47Å; D144-S146 WeakPolarHBondContact OD1-CB 3.37Å; D144-S146 PolarHBondContact OD1-N 3.09Å; D144-S146 PolarHBondContact OD1-OG 3.25Å; D144-S146 PolarHBondContact OD2-OG 3.29Å; S146-A148 VanDerWaalsContact C-N 3.29Å; S146-A148 PolarHBondContact O-N 3.27Å
147L82.1Confident85.2Confident45 Ų4540 Ų4024%0.23620%0.198CC..G310 helixtrans-79.1-10.8178.6-59.1174.3000113.1Y126 L142 D144 G145 W149 E150 V151Y126-L147 HydrophobicContact CD1-CB 4.46Å; Y126-L147 HydrophobicContact CD1-CD1 3.55Å; Y126-L147 HydrophobicContact CD1-CD2 4.21Å; Y126-L147 HydrophobicContact CD1-CG 4.28Å; Y126-L147 HydrophobicContact CE1-CB 4.44Å; Y126-L147 HydrophobicContact CE1-CD1 3.92Å; Y126-L147 HydrophobicContact CE1-CD2 3.65Å; Y126-L147 HydrophobicContact CE1-CG 4.2Å; L142-L147 HydrophobicContact CD2-CB 4.39Å; D144-L147 HydrophobicContact CB-CD1 4.18Å; D144-L147 HydrophobicContact CB-CG 4.42Å; D144-L147 PolarHBondContact O-N 3.17Å; G145-L147 PolarHBondContact O-N 3.46Å; L147-W149 PolarHBondContact O-N 3.26Å; L147-W149 VanDerWaalsContact O-N 3.11Å; L147-E150 PolarHBondContact O-N 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.38Å
148A83.6Confident85.1Confident4 Ų437.6 Ų37.63%0.03319%0.191CC..Hα-helixtrans-57.3-31.5-177.200000112.8L95 V97 L142 G145 S146 K152L95-A148 HydrophobicContact CD1-CB 3.93Å; L95-A148 HydrophobicContact CD2-CB 3.82Å; L95-A148 HydrophobicContact CG-CB 4.3Å; V97-A148 HydrophobicContact CG2-CB 4.43Å; L142-A148 HydrophobicContact CD2-CB 4.22Å; G145-A148 WeakPolarHBondContact O-CB 3.42Å; G145-A148 PolarHBondContact O-N 2.81Å; S146-A148 VanDerWaalsContact C-N 3.29Å; S146-A148 PolarHBondContact O-N 3.27Å; A148-K152 WeakPolarHBondContact O-CB 3.44Å; A148-K152 PolarHBondContact O-N 2.64Å
149W81.8Confident84.4Confident39 Ų3944.6 Ų44.615%0.14822%0.224CC..Hα-helixtrans-71.6-40.4178.1-158.3-99.1000112.6E83 K87 L147 K152 D153 F171E83-W149 HydrophobicContact CG-CH2 3.88Å; E83-W149 HydrophobicContact CG-CZ2 3.94Å; E83-W149 WeakPolarHBondContact OE1-CH2 3.41Å; E83-W149 WeakPolarHBondContact OE1-CZ2 3.46Å; E83-W149 WeakPolarHBondContact OE2-CZ2 3.31Å; K87-W149 HydrophobicContact CD-CB 4.47Å; K87-W149 VanDerWaalsContact CE-CG 3.49Å; K87-W149 HydrophobicContact CG-CB 4.42Å; L147-W149 PolarHBondContact O-N 3.26Å; L147-W149 VanDerWaalsContact O-N 3.11Å; W149-K152 HydrophobicContact CD2-CD 4.26Å; W149-K152 HydrophobicContact CE3-CD 3.88Å; W149-K152 HydrophobicContact CH2-CD 4.37Å; W149-K152 HydrophobicContact CZ3-CD 3.95Å; W149-K152 WeakPolarHBondContact O-CB 3.5Å; W149-K152 PolarHBondContact O-N 3.31Å; W149-D153 WeakPolarHBondContact O-CB 3.46Å; W149-D153 VanDerWaalsContact O-CG 3.22Å; W149-D153 PolarHBondContact O-N 3.22Å; W149-F171 AromaticContact CH2-CE1 3.75Å; W149-F171 HydrophobicContact CH2-CE1 3.75Å; W149-F171 AromaticContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CZ3-CE1 4.12Å; W149-F171 HydrophobicContact CZ3-CE2 4.1Å; W149-F171 AromaticContact CZ3-CZ 3.6Å; W149-F171 HydrophobicContact CZ3-CZ 3.6Å
150E84.9Confident83.9Confident99 Ų9949 Ų4946%0.46324%0.239SC..Hα-helixtrans-67.9-42.8176.7-64.1178.9177.400110.9Y126 L147 D153 F154Y126-E150 PolarHBondContact OH-OE2 3.07Å; L147-E150 PolarHBondContact O-N 3.29Å; E150-D153 PolarHBondContact O-N 3.39Å; E150-F154 WeakPolarHBondContact O-CB 3.24Å; E150-F154 PolarHBondContact O-N 2.56Å
151V86.1Confident83.5Confident0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-63.9-42.4175.6176.30000110.8L121 L142 L147 F154 L155L121-V151 HydrophobicContact CD1-CG1 3.9Å; L121-V151 HydrophobicContact CD2-CB 4.41Å; L121-V151 HydrophobicContact CD2-CG1 4.12Å; L121-V151 HydrophobicContact CD2-CG2 3.92Å; L142-V151 HydrophobicContact CD2-CB 4.03Å; L142-V151 HydrophobicContact CD2-CG1 4.46Å; L142-V151 HydrophobicContact CD2-CG2 3.66Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.38Å; V151-F154 PolarHBondContact O-N 3.5Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.33Å; V151-L155 WeakPolarHBondContact O-CB 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 3.27Å
152K85Confident83.2Confident15 Ų1547 Ų477%0.06523%0.232CC..Hα-helixtrans-57.7-49.5172.6173.1-150.1136.3-173.70110.7A148 W149 F154 L155 V156 V164 V166 F171A148-K152 WeakPolarHBondContact O-CB 3.44Å; A148-K152 PolarHBondContact O-N 2.64Å; W149-K152 HydrophobicContact CD2-CD 4.26Å; W149-K152 HydrophobicContact CE3-CD 3.88Å; W149-K152 HydrophobicContact CH2-CD 4.37Å; W149-K152 HydrophobicContact CZ3-CD 3.95Å; W149-K152 WeakPolarHBondContact O-CB 3.5Å; W149-K152 PolarHBondContact O-N 3.31Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 3.05Å; K152-L155 PolarHBondContact O-N 2.85Å; K152-V156 HydrophobicContact CG-CG2 4.3Å; K152-V156 WeakPolarHBondContact O-CB 3.38Å; K152-V156 VanDerWaalsContact O-CG2 3.31Å; K152-V156 WeakPolarHBondContact O-CG2 3.29Å; K152-V156 PolarHBondContact O-N 3.2Å; K152-V164 HydrophobicContact CB-CG1 4.41Å; K152-V164 HydrophobicContact CG-CG1 4.13Å; K152-V166 HydrophobicContact CB-CG2 4.13Å; K152-V166 HydrophobicContact CD-CG2 4.29Å; K152-V166 HydrophobicContact CG-CG2 4.1Å; K152-F171 HydrophobicContact CD-CB 4.33Å; K152-F171 HydrophobicContact CD-CD1 4.3Å; K152-F171 HydrophobicContact CD-CD2 3.74Å; K152-F171 HydrophobicContact CD-CE2 4.1Å; K152-F171 HydrophobicContact CD-CG 3.85Å; K152-F171 VanDerWaalsContact CE-CG 3.5Å; K152-F171 HydrophobicContact CG-CD2 4.37Å; K152-F171 VanDerWaalsContact NZ-CD1 3.32Å
153D86.4Confident83Confident77 Ų7749.4 Ų49.441%0.41225%0.245SC..Hα-helixtrans-63.8-38.5-178-71.8-14.2000111.4W149 E150 A157W149-D153 WeakPolarHBondContact O-CB 3.46Å; W149-D153 VanDerWaalsContact O-CG 3.22Å; W149-D153 PolarHBondContact O-N 3.22Å; E150-D153 PolarHBondContact O-N 3.39Å; D153-A157 VanDerWaalsContact O-CB 3.31Å; D153-A157 WeakPolarHBondContact O-CB 3.21Å; D153-A157 PolarHBondContact O-N 2.7Å
154F87.8Confident83.2Confident59 Ų5943 Ų4326%0.25922%0.221SC..Hα-helixtrans-60.4-49.3171.1174.3-99.1000111.9W117 L121 E150 V151 K152 A157 Q158W117-F154 HydrophobicContact CB-CE1 4.39Å; W117-F154 HydrophobicContact CG-CE1 4.5Å; L121-F154 HydrophobicContact CD2-CD1 3.81Å; L121-F154 HydrophobicContact CD2-CE1 4.25Å; L121-F154 HydrophobicContact CD2-CG 4.29Å; L121-F154 HydrophobicContact CG-CD1 4.2Å; L121-F154 HydrophobicContact CG-CE1 4.19Å; E150-F154 WeakPolarHBondContact O-CB 3.24Å; E150-F154 PolarHBondContact O-N 2.56Å; V151-F154 PolarHBondContact O-N 3.5Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 3.05Å; F154-A157 WeakPolarHBondContact O-CB 3.21Å; F154-A157 PolarHBondContact O-N 3.17Å; F154-Q158 HydrophobicContact CE1-CG 4.4Å; F154-Q158 WeakPolarHBondContact O-CG 3.1Å; F154-Q158 PolarHBondContact O-N 3.18Å
155L86.5Confident83.3Confident0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-64-43.7-179.6-71.6171.5000111.6V97 A99 W117 F140 V151 K152 A157 Q158 C161 V164V97-L155 HydrophobicContact CG1-CD1 4.17Å; A99-L155 HydrophobicContact CB-CD1 4.31Å; W117-L155 HydrophobicContact CD2-CD2 3.89Å; W117-L155 HydrophobicContact CE3-CD2 3.39Å; W117-L155 HydrophobicContact CG-CD2 4.4Å; W117-L155 HydrophobicContact CZ3-CD2 3.84Å; F140-L155 HydrophobicContact CD2-CD1 4.22Å; F140-L155 HydrophobicContact CE2-CD1 4.35Å; F140-L155 HydrophobicContact CE2-CD2 4.14Å; V151-L155 HydrophobicContact CG1-CD1 3.95Å; V151-L155 HydrophobicContact CG1-CG 4.33Å; V151-L155 WeakPolarHBondContact O-CB 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 3.27Å; K152-L155 PolarHBondContact O-N 2.85Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.85Å; L155-Q158 WeakPolarHBondContact O-CB 3.34Å; L155-Q158 PolarHBondContact O-N 3.01Å; L155-Q158 VanDerWaalsContact O-N 3.13Å; L155-C161 WeakPolarHBondContact O-CB 3.44Å; L155-V164 HydrophobicContact CB-CG2 3.69Å; L155-V164 HydrophobicContact CD1-CG1 4.25Å; L155-V164 HydrophobicContact CD1-CG2 4.41Å
156V85.7Confident83.6Confident25 Ų2542.9 Ų42.915%0.15222%0.221CC..Hα-helixtrans-63.5-34.2176.5167.50000111.4K152 Q158 V164 S174K152-V156 HydrophobicContact CG-CG2 4.3Å; K152-V156 WeakPolarHBondContact O-CB 3.38Å; K152-V156 VanDerWaalsContact O-CG2 3.31Å; K152-V156 WeakPolarHBondContact O-CG2 3.29Å; K152-V156 PolarHBondContact O-N 3.2Å; V156-Q158 VanDerWaalsContact C-N 3.26Å; V156-Q158 PolarHBondContact O-N 3.18Å; V156-V164 HydrophobicContact CG2-CB 4.26Å; V156-V164 HydrophobicContact CG2-CG2 3.88Å; V156-S174 WeakPolarHBondContact O-CB 3.49Å; V156-S174 PolarHBondContact O-N 3.43Å
157A85.6Confident83.3Confident66 Ų6645.9 Ų45.955%0.54523%0.232SC..Hα-helixtrans-68.1-23.917600000113.1D153 F154 L155 Q159D153-A157 VanDerWaalsContact O-CB 3.31Å; D153-A157 WeakPolarHBondContact O-CB 3.21Å; D153-A157 PolarHBondContact O-N 2.7Å; F154-A157 WeakPolarHBondContact O-CB 3.21Å; F154-A157 PolarHBondContact O-N 3.17Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.85Å; A157-Q159 PolarHBondContact O-N 3.4Å
158Q83.7Confident82.9Confident59 Ų5946.9 Ų46.928%0.27625%0.253SS..SBendtrans-67.6132.9178.6-61.7-56.5-33.700111.7W117 F154 L155 V156 R160 C161W117-Q158 HydrophobicContact CZ2-CB 3.93Å; W117-Q158 HydrophobicContact CZ2-CG 4.24Å; F154-Q158 HydrophobicContact CE1-CG 4.4Å; F154-Q158 WeakPolarHBondContact O-CG 3.1Å; F154-Q158 PolarHBondContact O-N 3.18Å; L155-Q158 WeakPolarHBondContact O-CB 3.34Å; L155-Q158 PolarHBondContact O-N 3.01Å; L155-Q158 VanDerWaalsContact O-N 3.13Å; V156-Q158 VanDerWaalsContact C-N 3.26Å; V156-Q158 PolarHBondContact O-N 3.18Å; Q158-R160 PolarHBondContact O-N 3.29Å; Q158-R160 VanDerWaalsContact O-N 3.14Å; Q158-C161 HydrophobicContact CB-CB 4.34Å; Q158-C161 PolarHBondContact O-N 2.96Å
159Q74.8Confident82.6Confident147 Ų14751.7 Ų51.769%0.68728%0.275SS*.THydrogen-bonded Turntrans-66.8-16.1-178.9-64.1-171.26.300114A157 M175A157-Q159 PolarHBondContact O-N 3.4Å; Q159-M175 WeakPolarHBondContact O-CG 3.37Å
160R80.2Confident82.5Confident117 Ų11754.1 Ų54.144%0.44229%0.294SS..THydrogen-bonded Turntrans-102.14.2-179.2-63.7-70.5-70.9-147.7-4.3113.1V101 S102 W117 Q158V101-R160 WeakPolarHBondContact CG1-O 3.3Å; S102-R160 PolarHBondContact N-O 3.38Å; S102-R160 VanDerWaalsContact OG-C 3.29Å; S102-R160 WeakPolarHBondContact OG-CA 3.18Å; S102-R160 PolarHBondContact OG-O 3.49Å; W117-R160 HydrophobicContact CZ2-CB 4.4Å; Q158-R160 PolarHBondContact O-N 3.29Å; Q158-R160 VanDerWaalsContact O-N 3.14Å
161C81.5Confident82.1Confident0 Ų051.2 Ų51.20%028%0.28CS..EExtended strand (participates in β ladder)trans-90.6124.6176.1-171.20000110.6W117 L155 Q158 V164W117-C161 HydrophobicContact CH2-CB 4.03Å; W117-C161 HydrophobicContact CZ2-CB 4.46Å; L155-C161 WeakPolarHBondContact O-CB 3.44Å; Q158-C161 HydrophobicContact CB-CB 4.34Å; Q158-C161 PolarHBondContact O-N 2.96Å; C161-V164 WeakPolarHBondContact SG-CG2 3.23Å
162A81.7Confident81.6Confident20 Ų2053.6 Ų53.617%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-80-62.2175.200000110.1T100 G173T100-A162 HydrophobicContact CG2-CB 4.15Å; T100-A162 PolarHBondContact O-N 2.95Å; A162-G173 VanDerWaalsContact O-CA 3.23Å; A162-G173 WeakPolarHBondContact O-CA 3.37Å; A162-G173 PolarHBondContact O-N 3.41Å
163D83.8Confident80.7Confident56 Ų5652.9 Ų52.930%0.29929%0.292SS..EExtended strand (participates in β ladder)trans-145.9146.6-176.3-61.8-51.7000110.4T100 V170 P172T100-D163 PolarHBondContact N-O 3.49Å; D163-V170 HydrophobicContact CB-CG1 4.12Å; D163-P172 WeakPolarHBondContact OD1-CA 3.46Å
164V86.3Confident79.4Confident0 Ų051.6 Ų51.60%029%0.289CS..EExtended strand (participates in β ladder)trans-120.9122.6174.4-176.30000108.5V97 F98 K152 L155 V156 C161 V166 F171V97-V164 HydrophobicContact CG1-CG1 3.43Å; V97-V164 VanDerWaalsContact CG1-CG1 3.43Å; F98-V164 CarbonylContact O-C 3.55Å; F98-V164 WeakPolarHBondContact O-CA 3.15Å; K152-V164 HydrophobicContact CB-CG1 4.41Å; K152-V164 HydrophobicContact CG-CG1 4.13Å; L155-V164 HydrophobicContact CB-CG2 3.69Å; L155-V164 HydrophobicContact CD1-CG1 4.25Å; L155-V164 HydrophobicContact CD1-CG2 4.41Å; V156-V164 HydrophobicContact CG2-CB 4.26Å; V156-V164 HydrophobicContact CG2-CG2 3.88Å; C161-V164 WeakPolarHBondContact SG-CG2 3.23Å; V164-V166 HydrophobicContact CG1-CG2 4.18Å; V164-F171 PolarHBondContact N-O 2.79Å; V164-F171 WeakPolarHBondContact O-CA 3.45Å; V164-F171 WeakPolarHBondContact O-CB 3.29Å; V164-F171 PolarHBondContact O-N 3.24Å
165T84.9Confident77.6Confident31 Ų3151.7 Ų51.719%0.1929%0.291CS..EExtended strand (participates in β ladder)trans-106.6121.8176.8-49.40000110.1F98 Q169 V170F98-T165 PolarHBondContact N-O 3.42Å; F98-T165 PolarHBondContact O-N 2.81Å; T165-Q169 CarbonylContact C-O 3.56Å; T165-Q169 VanDerWaalsContact CA-O 3.26Å; T165-Q169 WeakPolarHBondContact CA-O 3.35Å; T165-V170 HydrophobicContact CG2-CG2 4.06Å
166V83.2Confident75.9Confident15 Ų1552.3 Ų52.39%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-117.3118.3177.8-174.50000107.4L95 V97 K152 V164 G168 Q169 F171L95-V166 HydrophobicContact CD1-CG1 4.43Å; L95-V166 HydrophobicContact CD2-CG1 3.73Å; V97-V166 HydrophobicContact CG1-CG2 4.18Å; V97-V166 HydrophobicContact CG2-CG2 4.26Å; K152-V166 HydrophobicContact CB-CG2 4.13Å; K152-V166 HydrophobicContact CD-CG2 4.29Å; K152-V166 HydrophobicContact CG-CG2 4.1Å; V164-V166 HydrophobicContact CG1-CG2 4.18Å; V166-G168 PolarHBondContact O-N 3.32Å; V166-Q169 PolarHBondContact N-O 3.46Å; V166-Q169 WeakPolarHBondContact O-CB 3.45Å; V166-Q169 PolarHBondContact O-N 2.73Å; V166-F171 HydrophobicContact CB-CD2 4.4Å; V166-F171 HydrophobicContact CB-CE2 4.11Å; V166-F171 HydrophobicContact CG2-CD2 4.18Å; V166-F171 HydrophobicContact CG2-CE2 4.31Å
167E74.1Confident74.3Confident90 Ų9058 Ų5842%0.42132%0.319SS..THydrogen-bonded Turntrans49.833.7179.6-55.8-154.4146.600115.3K90 L95 Q169K90-E167 WeakPolarHBondContact CD-OE1 3.4Å; K90-E167 WeakPolarHBondContact CE-OE1 3.38Å; K90-E167 VanDerWaalsContact CE-OE2 3.24Å; K90-E167 WeakPolarHBondContact CE-OE2 3.27Å; K90-E167 VanDerWaalsContact NZ-CD 3.27Å; K90-E167 IonicContact NZ-OE1 3.6Å; K90-E167 PolarHBondContact NZ-OE1 3.38Å; K90-E167 IonicContact NZ-OE2 3.16Å; K90-E167 PolarHBondContact NZ-OE2 2.88Å; K90-E167 VanDerWaalsContact NZ-OE2 3.09Å; L95-E167 HydrophobicContact CD1-CG 3.86Å; L95-E167 WeakPolarHBondContact CD1-OE1 3.25Å; L95-E167 HydrophobicContact CD2-CG 4.3Å; L95-E167 HydrophobicContact CG-CG 4.08Å; E167-Q169 VanDerWaalsContact C-N 3.34Å
168G73.6Confident72.5Confident65 Ų6560.3 Ų60.367%0.6732%0.317SS*.THydrogen-bonded Turntrans87.1-4.3-17900000115V166V166-G168 PolarHBondContact O-N 3.32Å
169Q77.9Confident70.8Confident105 Ų10561.9 Ų61.949%0.49133%0.327SS..EExtended strand (participates in β ladder)trans-89.4123168.9-63.9-173.8-700110.2T165 V166 E167 F171T165-Q169 CarbonylContact C-O 3.56Å; T165-Q169 VanDerWaalsContact CA-O 3.26Å; T165-Q169 WeakPolarHBondContact CA-O 3.35Å; V166-Q169 PolarHBondContact N-O 3.46Å; V166-Q169 WeakPolarHBondContact O-CB 3.45Å; V166-Q169 PolarHBondContact O-N 2.73Å; E167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-F171 HydrophobicContact CB-CE2 3.77Å; Q169-F171 HydrophobicContact CB-CZ 4.08Å
170V78.9Confident69.5Low90 Ų9061 Ų6155%0.54532%0.321SS..EExtended strand (participates in β ladder)trans-90.3118.7179.2-174.50000109.6D163 T165D163-V170 HydrophobicContact CB-CG1 4.12Å; T165-V170 HydrophobicContact CG2-CG2 4.06Å
171F76.9Confident67.8Low39 Ų3957.5 Ų57.517%0.17132%0.317CS..EExtended strand (participates in β ladder)trans-103.2115.9173.4-64-81000109.4W149 K152 V164 V166 Q169 G173W149-F171 AromaticContact CH2-CE1 3.75Å; W149-F171 HydrophobicContact CH2-CE1 3.75Å; W149-F171 AromaticContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CH2-CZ 3.69Å; W149-F171 HydrophobicContact CZ3-CE1 4.12Å; W149-F171 HydrophobicContact CZ3-CE2 4.1Å; W149-F171 AromaticContact CZ3-CZ 3.6Å; W149-F171 HydrophobicContact CZ3-CZ 3.6Å; K152-F171 HydrophobicContact CD-CB 4.33Å; K152-F171 HydrophobicContact CD-CD1 4.3Å; K152-F171 HydrophobicContact CD-CD2 3.74Å; K152-F171 HydrophobicContact CD-CE2 4.1Å; K152-F171 HydrophobicContact CD-CG 3.85Å; K152-F171 VanDerWaalsContact CE-CG 3.5Å; K152-F171 HydrophobicContact CG-CD2 4.37Å; K152-F171 VanDerWaalsContact NZ-CD1 3.32Å; V164-F171 PolarHBondContact N-O 2.79Å; V164-F171 WeakPolarHBondContact O-CA 3.45Å; V164-F171 WeakPolarHBondContact O-CB 3.29Å; V164-F171 PolarHBondContact O-N 3.24Å; V166-F171 HydrophobicContact CB-CD2 4.4Å; V166-F171 HydrophobicContact CB-CE2 4.11Å; V166-F171 HydrophobicContact CG2-CD2 4.18Å; V166-F171 HydrophobicContact CG2-CE2 4.31Å; Q169-F171 HydrophobicContact CB-CE2 3.77Å; Q169-F171 HydrophobicContact CB-CZ 4.08Å; F171-G173 PolarHBondContact O-N 2.78Å
172P75Confident66.1Low49 Ų4963.4 Ų63.432%0.31834%0.343SS..EExtended strand (participates in β ladder)trans-67.1131.7179.425.2-31.4000110.9D163 A176D163-P172 WeakPolarHBondContact OD1-CA 3.46Å; P172-A176 HydrophobicContact CB-CB 3.57Å
173G66.6Low64.5Low0 Ų068.4 Ų68.40%036%0.363CS..  trans-67.8171.1176.800000113.3A162 F171 M175 A176 K177A162-G173 VanDerWaalsContact O-CA 3.23Å; A162-G173 WeakPolarHBondContact O-CA 3.37Å; A162-G173 PolarHBondContact O-N 3.41Å; F171-G173 PolarHBondContact O-N 2.78Å; G173-M175 PolarHBondContact O-N 3.47Å; G173-M175 VanDerWaalsContact O-N 3.14Å; G173-A176 PolarHBondContact O-N 3.32Å; G173-K177 PolarHBondContact O-N 2.73Å
174S58.7Low62.8Low50 Ų5069.8 Ų69.835%0.3537%0.373SS..Hα-helixtrans-55.6-29.3175.6-177.10000113V156V156-S174 WeakPolarHBondContact O-CB 3.49Å; V156-S174 PolarHBondContact O-N 3.43Å
175M49.9Very low61.1Low61 Ų6175.7 Ų75.730%0.340%0.401SS..Hα-helixtrans-75.7-37.4173.8-82.6-71.6-76.100113.9Q159 G173 K177 K178 D179Q159-M175 WeakPolarHBondContact O-CG 3.37Å; G173-M175 PolarHBondContact O-N 3.47Å; G173-M175 VanDerWaalsContact O-N 3.14Å; M175-K177 PolarHBondContact O-N 3.03Å; M175-K178 WeakPolarHBondContact O-CB 3.36Å; M175-K178 PolarHBondContact O-N 3.1Å; M175-K178 HydrophobicContact SD-CD 4.15Å; M175-D179 PolarHBondContact O-N 2.68Å
176A50.7Low59.5Low14 Ų1480.5 Ų80.512%0.11642%0.421CS..Hα-helixtrans-63.5-27.6175.200000112.1P172 G173 K178 D179 K180P172-A176 HydrophobicContact CB-CB 3.57Å; G173-A176 PolarHBondContact O-N 3.32Å; A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.33Å; A176-D179 PolarHBondContact O-N 2.86Å; A176-K180 WeakPolarHBondContact O-CG 3Å; A176-K180 PolarHBondContact O-N 2.82Å
177K51.9Low58Low143 Ų14384.6 Ų84.662%0.62244%0.443SS*.Hα-helixtrans-65.3-31.9169.9-71.7-174.5-179.7178.10112.9G173 M175 A181G173-K177 PolarHBondContact O-N 2.73Å; M175-K177 PolarHBondContact O-N 3.03Å; K177-A181 WeakPolarHBondContact O-CB 3.5Å; K177-A181 PolarHBondContact O-N 3.09Å
178K49Very low57Low116 Ų11685.7 Ų85.750%0.50445%0.447SS..Hα-helixtrans-71.9-34.6175.7-73.8-177.2179.9172.50111.9M175 A176 K182M175-K178 WeakPolarHBondContact O-CB 3.36Å; M175-K178 PolarHBondContact O-N 3.1Å; M175-K178 HydrophobicContact SD-CD 4.15Å; A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.33Å; K178-K182 WeakPolarHBondContact O-CB 3.28Å; K178-K182 VanDerWaalsContact O-CG 3.24Å; K178-K182 WeakPolarHBondContact O-CG 3.35Å; K178-K182 PolarHBondContact O-N 3.06Å; K178-K182 VanDerWaalsContact O-N 3.09Å
179D47.8Very low56.1Low92 Ų9286.7 Ų86.749%0.49244%0.441SS..Hα-helixtrans-77-39178.4-64.4-30.9000111.7M175 A176 K182 E183M175-D179 PolarHBondContact O-N 2.68Å; A176-D179 PolarHBondContact O-N 2.86Å; D179-K182 PolarHBondContact O-N 3.18Å; D179-E183 PolarHBondContact O-N 2.81Å
180K47.8Very low54.8Low129 Ų12986.7 Ų86.756%0.56144%0.444SS*.Hα-helixtrans-68.5-33.7171.4-68.1-166.2-179.7-171.30113.5A176 K182 E183 T184A176-K180 WeakPolarHBondContact O-CG 3Å; A176-K180 PolarHBondContact O-N 2.82Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-E183 PolarHBondContact O-N 2.86Å; K180-T184 PolarHBondContact O-N 3.1Å; K180-T184 PolarHBondContact O-OG1 3.29Å
181A44.2Very low53.8Low42 Ų4288.2 Ų88.235%0.34745%0.448SS..Hα-helixtrans-68.4-33.6173.100000112K177 Q185K177-A181 WeakPolarHBondContact O-CB 3.5Å; K177-A181 PolarHBondContact O-N 3.09Å; A181-Q185 WeakPolarHBondContact O-CB 3.42Å; A181-Q185 WeakPolarHBondContact O-CG 3.28Å; A181-Q185 PolarHBondContact O-N 3.19Å; A181-Q185 VanDerWaalsContact O-N 3.1Å
182K45.6Very low52.4Low125 Ų12593.9 Ų93.954%0.54347%0.472SS..Hα-helixtrans-71.7-38.4173.6-75.9173.1-178.1177.80112.3K178 D179 K180 Q186K178-K182 WeakPolarHBondContact O-CB 3.28Å; K178-K182 VanDerWaalsContact O-CG 3.24Å; K178-K182 WeakPolarHBondContact O-CG 3.35Å; K178-K182 PolarHBondContact O-N 3.06Å; K178-K182 VanDerWaalsContact O-N 3.09Å; D179-K182 PolarHBondContact O-N 3.18Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K182-Q186 WeakPolarHBondContact O-CB 3.32Å; K182-Q186 VanDerWaalsContact O-CG 3.3Å; K182-Q186 WeakPolarHBondContact O-CG 3.26Å; K182-Q186 PolarHBondContact O-N 2.83Å
183E48.6Very low51Low125 Ų12598.6 Ų98.658%0.58449%0.488SS*.Hα-helixtrans-65.5-43.8173.8-88.5-175.2150.300112.5D179 K180 Q185 Q186 N187D179-E183 PolarHBondContact O-N 2.81Å; K180-E183 PolarHBondContact O-N 2.86Å; E183-Q185 PolarHBondContact O-N 2.77Å; E183-Q186 PolarHBondContact O-N 3.24Å; E183-N187 WeakPolarHBondContact O-CB 3.39Å; E183-N187 PolarHBondContact O-N 3.29Å
184T47.4Very low49.8Very low84 Ų84106.8 Ų106.852%0.51552%0.523SS..Hα-helixtrans-65.4-39.9177.4-54.90000111.5K180 N187 E188K180-T184 PolarHBondContact O-N 3.1Å; K180-T184 PolarHBondContact O-OG1 3.29Å; T184-N187 PolarHBondContact O-N 3.48Å; T184-E188 PolarHBondContact O-N 2.96Å
185Q51.5Low48.9Very low125 Ų125106.3 Ų106.358%0.58453%0.526SS*.Hα-helixtrans-69.3-36.3176.4-72.417634.500112.9A181 E183 V189A181-Q185 WeakPolarHBondContact O-CB 3.42Å; A181-Q185 WeakPolarHBondContact O-CG 3.28Å; A181-Q185 PolarHBondContact O-N 3.19Å; A181-Q185 VanDerWaalsContact O-N 3.1Å; E183-Q185 PolarHBondContact O-N 2.77Å; Q185-V189 WeakPolarHBondContact O-CB 3.38Å; Q185-V189 WeakPolarHBondContact O-CG2 3.28Å; Q185-V189 PolarHBondContact O-N 3.04Å
186Q51.3Low48.3Very low131 Ų131114 Ų11461%0.61255%0.552SS**Hα-helixtrans-69.9-36.9175.4-75.9179.26.200112.3K182 E183 N190K182-Q186 WeakPolarHBondContact O-CB 3.32Å; K182-Q186 VanDerWaalsContact O-CG 3.3Å; K182-Q186 WeakPolarHBondContact O-CG 3.26Å; K182-Q186 PolarHBondContact O-N 2.83Å; E183-Q186 PolarHBondContact O-N 3.24Å; Q186-N190 WeakPolarHBondContact O-CB 3.29Å; Q186-N190 PolarHBondContact O-N 3.42Å
187N50.3Low47.7Very low102 Ų102122.2 Ų122.255%0.54559%0.585SS.*Hα-helixtrans-69.6-40.4175.5-79.4-23000112.3E183 T184 N190 I191E183-N187 WeakPolarHBondContact O-CB 3.39Å; E183-N187 PolarHBondContact O-N 3.29Å; T184-N187 PolarHBondContact O-N 3.48Å; N187-N190 PolarHBondContact O-N 3.31Å; N187-I191 WeakPolarHBondContact O-CB 3.32Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.31Å; N187-I191 PolarHBondContact O-N 2.86Å
188E54.5Low47Very low112 Ų112121.2 Ų121.252%0.52359%0.591SS.*Hα-helixtrans-65.4-37.9173.8-78.1-169.3162.500113T184 K192T184-E188 PolarHBondContact O-N 2.96Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 WeakPolarHBondContact O-CG 3.4Å; E188-K192 PolarHBondContact O-N 2.74Å
189V54Low46.3Very low87 Ų87124.4 Ų124.453%0.52761%0.608SS.*Hα-helixtrans-69.4-36.5177.1172.50000111.5Q185 K193Q185-V189 WeakPolarHBondContact O-CB 3.38Å; Q185-V189 WeakPolarHBondContact O-CG2 3.28Å; Q185-V189 PolarHBondContact O-N 3.04Å; V189-K193 PolarHBondContact O-N 3.4Å
190N51.2Low45.8Very low105 Ų105123.1 Ų123.156%0.56162%0.616SS**Hα-helixtrans-71.1-37.5175-102.7-25.5000112.9Q186 N187 K193 K194Q186-N190 WeakPolarHBondContact O-CB 3.29Å; Q186-N190 PolarHBondContact O-N 3.42Å; N187-N190 PolarHBondContact O-N 3.31Å; N190-K193 PolarHBondContact O-N 2.78Å; N190-K194 WeakPolarHBondContact O-CB 3.48Å; N190-K194 PolarHBondContact O-N 3.11Å
191I56.6Low45.2Very low122 Ų122126.6 Ų126.663%0.62663%0.631SS**Hα-helixtrans-65.6-41.9174.7-68.2167.6000110.5N187 K193 K194 G195N187-I191 WeakPolarHBondContact O-CB 3.32Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.31Å; N187-I191 PolarHBondContact O-N 2.86Å; I191-K193 PolarHBondContact O-N 3.13Å; I191-K194 PolarHBondContact O-N 3.09Å; I191-G195 PolarHBondContact O-N 2.79Å
192K48.9Very low44.4Very low157 Ų157131.6 Ų131.668%0.68366%0.658SS**Hα-helixtrans-66.4-34.8174.9-74.3179.9-178.8174.10113.5E188 R196E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 WeakPolarHBondContact O-CG 3.4Å; E188-K192 PolarHBondContact O-N 2.74Å; K192-R196 PolarHBondContact O-N 2.89Å
193K45.7Very low43.8Very low149 Ų149134.3 Ų134.365%0.64867%0.672SS**Hα-helixtrans-70.1-30.6173.2-97.3-178177.1174.90113.2V189 N190 I191V189-K193 PolarHBondContact O-N 3.4Å; N190-K193 PolarHBondContact O-N 2.78Å; I191-K193 PolarHBondContact O-N 3.13Å
194K40.1Very low43.3Very low172 Ų172134.8 Ų134.875%0.74868%0.684SS**Hα-helixtrans-80.3-32.3178.8-146.7175-175.5-177.40112.4N190 I191 T198N190-K194 WeakPolarHBondContact O-CB 3.48Å; N190-K194 PolarHBondContact O-N 3.11Å; I191-K194 PolarHBondContact O-N 3.09Å; K194-T198 PolarHBondContact O-OG1 3.3Å
195G40.1Very low42.9Very low40 Ų40137.9 Ų137.941%0.41270%0.702SS.*Hα-helixtrans-68.7-39.8173.300000113.9I191 K197 T198I191-G195 PolarHBondContact O-N 2.79Å; G195-K197 VanDerWaalsContact C-N 3.27Å; G195-K197 PolarHBondContact O-N 3.01Å; G195-T198 PolarHBondContact O-N 3.47Å
196R38.3Very low42.1Very low221 Ų221139.1 Ų139.183%0.83471%0.713SS**THydrogen-bonded Turntrans-72.4-13.1-176.5-161.3170.8178.3176.5-0.1114.7K192K192-R196 PolarHBondContact O-N 2.89Å
197K37.6Very low41.3Very low188 Ų188136 Ų13682%0.81772%0.716SS**THydrogen-bonded Turntrans-85.4-15.1176.1-88.7-171.4175.1-175.60113.9G195G195-K197 VanDerWaalsContact C-N 3.27Å; G195-K197 PolarHBondContact O-N 3.01Å
198T36.5Very low41Very low121 Ų121139.1 Ų139.174%0.74273%0.732SS**THydrogen-bonded Turntrans-95.3-16.3-174.1-38.50000113.3K194 G195K194-T198 PolarHBondContact O-OG1 3.3Å; G195-T198 PolarHBondContact O-N 3.47Å
199E35.4Very low40.3Very low183 Ų183142.5 Ų142.586%0.85575%0.748SS**SBendtrans-97.84-176.8-69.3-178.8160.900114.5
200G35.7Very low39.5Very low65 Ų65143.1 Ų143.167%0.6776%0.762SS**SBendtrans-115.543.4-169.500000116.2
201K35Very low39.1Very low202 Ų202143 Ų14388%0.87877%0.77SS**  trans-163.386.7158.6-134.7178-178-177.30113.6
202T27.9Very low38.4Very low147 Ų147144.9 Ų144.990%0.90278%0.781SS**  trans-140.5100.3149.6-350000108.6
203E32.3Very low37.9Very low182 Ų182144.8 Ų144.885%0.8579%0.787SS**  trans-113.1110.7164.9-81.4-176166.400108.6
204V39.9Very low37.5Very low136 Ų136145.8 Ų145.882%0.82479%0.791SS**  trans26.9109.4143.2-152.80000118.2
205V37.3Very low37.6Very low148 Ų148144.3 Ų144.390%0.89779%0.787SS**  trans-124.5133.6154.5177.50000109.8
206N35.5Very low37.5Very low152 Ų152149.5 Ų149.581%0.81380%0.801SS**  trans-87.1143.1-158.2-171.811.6000113.5
207G34.8Very low37.4Very low66 Ų66150.9 Ų150.968%0.6882%0.823SS**  trans58.6114.9132.200000121.2
208N43.6Very low37.4Very low166 Ų166149 Ų14989%0.88882%0.824SS**  trans-56.9135.7169.4-58.3-34.2000114.5
209H39.8Very low37.4Very low183 Ų183150.5 Ų150.585%0.84783%0.828SS**  trans-173.9126.2136.2-129.9-70.3000112.7
210A36.4Very low37.5Very low100 Ų100148.7 Ų148.783%0.82683%0.826SS**  trans-172.8125137.200000110
211S42.5Very low37.6Very low103 Ų103153.6 Ų153.672%0.7284%0.835SS**  trans-71.2148.8-173.244.70000114.7
212N43.5Very low37.8Very low162 Ų162150.6 Ų150.687%0.86683%0.833SS**  trans-64.5131.7163-121.9-53.7000110.9
213L37.4Very low38.4Very low155 Ų155150.8 Ų150.881%0.81283%0.828SS**  trans-152.3110.3157.1-143.1108.5000112
214K38.5Very low38.9Very low169 Ų169148.6 Ų148.674%0.73583%0.827SS**  trans50.9123.6149.9-79.9-177.4164.5-174.50120.5
215Q42.1Very low38.8Very low141 Ų141149.5 Ų149.566%0.65983%0.827SS**  100.2139.257.5-158.3-174.8-31.300111.4
216E36.5Very low38.9Very low150 Ų150149.7 Ų149.770%0.70182%0.821SS**  trans83.3101.1167.1-50.4-70.5120.700117.9
217L36.4Very low39.2Very low249 Ų249149.5 Ų149.5100%1.30482%0.822SS**  -1740102.2-100157000110.9

Retrieved 217 of 217 residues in 336.2 ms (Link to these results)