A0A5K4FC65_SCHMA Loading...

Glycosyltransferase-like protein LARGE1

AlphaFold DB , UniProt , Accession A0A5K4FC65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 418 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
1M54.8Low66.3Low206 Ų206143.6 Ų143.6100%1.01568%0.683SS**  0-48.50-104166.272.100114.4L3 F4M1-L3 PolarHBondContact O-N 3.13Å; M1-F4 PolarHBondContact O-N 3.16Å
2M55Low67.4Low159 Ų159140.5 Ų140.578%0.78367%0.672SS**Hα-helixtrans-60.9-39.5-176.6-83.3-167.6-77.500115.4F4 K5 Y6M2-F4 PolarHBondContact O-N 3.06Å; M2-K5 PolarHBondContact O-N 3.49Å; M2-Y6 PolarHBondContact O-N 3.48Å
3L54.1Low68.4Low141 Ų141138.3 Ų138.374%0.73867%0.665SS**Hα-helixtrans-61-30.4177.6-97142.1000113.7M1 R7M1-L3 PolarHBondContact O-N 3.13Å; L3-R7 PolarHBondContact O-N 2.84Å
4F57.6Low69.1Low168 Ų168137.4 Ų137.474%0.73766%0.657SS**Hα-helixtrans-75.5-36.5-179.9-141-90.2000111.6M1 M2 L8M1-F4 PolarHBondContact O-N 3.16Å; M2-F4 PolarHBondContact O-N 3.06Å; F4-L8 PolarHBondContact O-N 3.07Å
5K61.1Low70.1Confident153 Ų153133.5 Ų133.567%0.66565%0.645SS**Hα-helixtrans-64-43.2176-80.5-173173.4-174.80112.1M2 L8 V9M2-K5 PolarHBondContact O-N 3.49Å; K5-L8 PolarHBondContact O-N 3.29Å; K5-V9 WeakPolarHBondContact O-CG2 3.47Å; K5-V9 PolarHBondContact O-N 2.74Å; K5-V9 VanDerWaalsContact O-N 3.15Å
6Y64.7Low70.8Confident177 Ų177130.1 Ų130.169%0.69464%0.635SS**Hα-helixtrans-62-46.9178.4-95.7-83.7000112.2M2 L8 V9 T10M2-Y6 PolarHBondContact O-N 3.48Å; Y6-L8 VanDerWaalsContact C-N 3.28Å; Y6-L8 PolarHBondContact O-N 3.15Å; Y6-V9 PolarHBondContact O-N 3.11Å; Y6-T10 PolarHBondContact O-N 2.79Å; Y6-T10 PolarHBondContact O-OG1 3.44Å
7R72.2Confident71.3Confident192 Ų192128.4 Ų128.473%0.72563%0.629SS**Hα-helixtrans-60-38178.1-74.9-173.1175.2-172.2-1.1112.7L3 L11L3-R7 PolarHBondContact O-N 2.84Å; R7-L11 WeakPolarHBondContact O-CB 2.85Å; R7-L11 PolarHBondContact O-N 3.05Å
8L75.7Confident71.7Confident102 Ų102129.1 Ų129.153%0.53462%0.624SS.*Hα-helixtrans-66.6-42.1178.7-158.280.2000112F4 K5 Y6 L11 L12F4-L8 PolarHBondContact O-N 3.07Å; K5-L8 PolarHBondContact O-N 3.29Å; Y6-L8 VanDerWaalsContact C-N 3.28Å; Y6-L8 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.21Å; L8-L12 HydrophobicContact CG-CD1 4.46Å; L8-L12 PolarHBondContact O-N 3.32Å
9V78.6Confident72.1Confident82 Ų82128 Ų12850%0.49762%0.62SS.*Hα-helixtrans-66.6-42.5177.7175.60000111.2K5 Y6 L11 L12 L13K5-V9 WeakPolarHBondContact O-CG2 3.47Å; K5-V9 PolarHBondContact O-N 2.74Å; K5-V9 VanDerWaalsContact O-N 3.15Å; Y6-V9 PolarHBondContact O-N 3.11Å; V9-L11 VanDerWaalsContact C-N 3.31Å; V9-L11 PolarHBondContact O-N 3.14Å; V9-L12 PolarHBondContact O-N 3.01Å; V9-L13 HydrophobicContact CG1-CD1 4.14Å; V9-L13 PolarHBondContact O-N 3.46Å
10T75.9Confident72.3Confident82 Ų82128.6 Ų128.650%0.50362%0.616SS.*Hα-helixtrans-63.1-39.4176.9-41.50000111.5Y6 L13 F14Y6-T10 PolarHBondContact O-N 2.79Å; Y6-T10 PolarHBondContact O-OG1 3.44Å; T10-L13 PolarHBondContact O-N 3.33Å; T10-F14 PolarHBondContact O-N 2.93Å
11L79.4Confident72.2Confident118 Ų118125.6 Ų125.662%0.61860%0.603SS**Hα-helixtrans-64.4-42.8176.5-158.984000111.7R7 L8 V9 F14 V15R7-L11 WeakPolarHBondContact O-CB 2.85Å; R7-L11 PolarHBondContact O-N 3.05Å; L8-L11 PolarHBondContact O-N 3.21Å; V9-L11 VanDerWaalsContact C-N 3.31Å; V9-L11 PolarHBondContact O-N 3.14Å; L11-F14 PolarHBondContact O-N 2.88Å; L11-V15 WeakPolarHBondContact O-CG2 3.04Å; L11-V15 PolarHBondContact O-N 3.3Å
12L79.9Confident72.8Confident106 Ų106122.4 Ų122.456%0.55558%0.584SS**Hα-helixtrans-63.7-41177.3-84.1157.9000112.7L8 V9 F14 V15 T16L8-L12 HydrophobicContact CG-CD1 4.46Å; L8-L12 PolarHBondContact O-N 3.32Å; V9-L12 PolarHBondContact O-N 3.01Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-V15 PolarHBondContact O-N 2.66Å; L12-T16 WeakPolarHBondContact O-CG2 3.34Å; L12-T16 PolarHBondContact O-N 2.84Å; L12-T16 PolarHBondContact O-OG1 3.15Å
13L80.4Confident73.2Confident112 Ų112121.4 Ų121.459%0.58657%0.572SS**Hα-helixtrans-65.4-38.2174.8-75.8167.9000111.8V9 T10 T16 L17V9-L13 HydrophobicContact CG1-CD1 4.14Å; V9-L13 PolarHBondContact O-N 3.46Å; T10-L13 PolarHBondContact O-N 3.33Å; L13-T16 WeakPolarHBondContact CA-OG1 3.38Å; L13-T16 PolarHBondContact O-OG1 3.45Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 PolarHBondContact O-N 2.71Å
14F78.1Confident73.5Confident126 Ų126118.6 Ų118.655%0.55356%0.555SS**Hα-helixtrans-65.1-45.1176.1-130.7-97000111.6T10 L11 L12 L17 W18T10-F14 PolarHBondContact O-N 2.93Å; L11-F14 PolarHBondContact O-N 2.88Å; L12-F14 VanDerWaalsContact C-N 3.34Å; F14-L17 PolarHBondContact O-N 2.79Å; F14-W18 AromaticContact CD1-CD1 3.7Å; F14-W18 AromaticContact CD1-NE1 3.66Å; F14-W18 AromaticContact CE1-NE1 3.53Å; F14-W18 VanDerWaalsContact O-CD1 3.25Å; F14-W18 PolarHBondContact O-N 3.13Å; F14-W18 VanDerWaalsContact O-N 3.07Å
15V83.7Confident73.5Confident78 Ų78115.2 Ų115.247%0.47354%0.544SS..Hα-helixtrans-64.5-42.5179.1172.10000111.4L11 L12 W18 I19L11-V15 WeakPolarHBondContact O-CG2 3.04Å; L11-V15 PolarHBondContact O-N 3.3Å; L12-V15 PolarHBondContact O-N 2.66Å; V15-W18 PolarHBondContact O-N 2.94Å; V15-I19 HydrophobicContact CG1-CD1 3.8Å; V15-I19 HydrophobicContact CG1-CG1 4.44Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.26Å; V15-I19 PolarHBondContact O-N 3.11Å
16T81.4Confident72.8Confident79 Ų79114.4 Ų114.449%0.48554%0.54SS..Hα-helixtrans-66.1-38.4177.944.40000112.6L12 L13 I19 Y20L12-T16 WeakPolarHBondContact O-CG2 3.34Å; L12-T16 PolarHBondContact O-N 2.84Å; L12-T16 PolarHBondContact O-OG1 3.15Å; L13-T16 WeakPolarHBondContact CA-OG1 3.38Å; L13-T16 PolarHBondContact O-OG1 3.45Å; T16-I19 PolarHBondContact O-N 3.2Å; T16-Y20 WeakPolarHBondContact O-CB 3.39Å; T16-Y20 PolarHBondContact O-N 3.33Å
17L78.8Confident71.9Confident101 Ų101110.4 Ų110.453%0.52953%0.528SS..Hα-helixtrans-62.2-42.8173.7-162.284.2000111.6L13 F14 Y20 I21L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 PolarHBondContact O-N 2.71Å; F14-L17 PolarHBondContact O-N 2.79Å; L17-Y20 PolarHBondContact O-N 2.66Å; L17-I21 HydrophobicContact CD2-CD1 4.38Å; L17-I21 HydrophobicContact CG-CD1 4.25Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3Å; L17-I21 PolarHBondContact O-N 2.76Å
18W79.2Confident70.6Confident141 Ų141104.6 Ų104.653%0.53452%0.517SS..Hα-helixtrans-67.6-37.8177.4-86.8101.8000113.2F14 V15 Y20 I21 F22F14-W18 AromaticContact CD1-CD1 3.7Å; F14-W18 AromaticContact CD1-NE1 3.66Å; F14-W18 AromaticContact CE1-NE1 3.53Å; F14-W18 VanDerWaalsContact O-CD1 3.25Å; F14-W18 PolarHBondContact O-N 3.13Å; F14-W18 VanDerWaalsContact O-N 3.07Å; V15-W18 PolarHBondContact O-N 2.94Å; W18-Y20 VanDerWaalsContact C-N 3.33Å; W18-I21 PolarHBondContact O-N 2.02Å; W18-F22 WeakPolarHBondContact O-CB 3.27Å; W18-F22 PolarHBondContact O-N 2.72Å
19I79.8Confident68.8Low109 Ų109102.1 Ų102.156%0.55951%0.508SS*.Hα-helixtrans-62.9-42.4173.7-69.4166.4000110.4V15 T16 F22 Y23V15-I19 HydrophobicContact CG1-CD1 3.8Å; V15-I19 HydrophobicContact CG1-CG1 4.44Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.26Å; V15-I19 PolarHBondContact O-N 3.11Å; T16-I19 PolarHBondContact O-N 3.2Å; I19-F22 PolarHBondContact O-N 2.93Å; I19-Y23 WeakPolarHBondContact O-CB 2.94Å; I19-Y23 PolarHBondContact O-N 3.26Å
20Y74.7Confident66.6Low139 Ų139104.6 Ų104.655%0.54552%0.516SS..Hα-helixtrans-63.9-45.9177.1-176.4-104.9000111.8T16 L17 W18 F22 Y23 E24T16-Y20 WeakPolarHBondContact O-CB 3.39Å; T16-Y20 PolarHBondContact O-N 3.33Å; L17-Y20 PolarHBondContact O-N 2.66Å; W18-Y20 VanDerWaalsContact C-N 3.33Å; Y20-F22 VanDerWaalsContact C-N 3.34Å; Y20-F22 PolarHBondContact O-N 3.16Å; Y20-Y23 PolarHBondContact O-N 3.21Å; Y20-E24 HydrophobicContact CD1-CG 4.37Å; Y20-E24 HydrophobicContact CE1-CG 3.92Å; Y20-E24 HydrophobicContact CE2-CG 4.22Å; Y20-E24 VanDerWaalsContact CZ-OE1 3.26Å; Y20-E24 WeakPolarHBondContact O-CG 3.37Å; Y20-E24 PolarHBondContact O-N 3.48Å; Y20-E24 PolarHBondContact OH-OE1 3.03Å
21I71.1Confident64.7Low66 Ų66106.1 Ų106.134%0.33852%0.52SS..Hα-helixtrans-60-44.2175.1-68.7166.2000111L17 W18 Y23 E24 I25L17-I21 HydrophobicContact CD2-CD1 4.38Å; L17-I21 HydrophobicContact CG-CD1 4.25Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3Å; L17-I21 PolarHBondContact O-N 2.76Å; W18-I21 PolarHBondContact O-N 2.02Å; I21-Y23 VanDerWaalsContact C-N 3.32Å; I21-Y23 PolarHBondContact O-N 3.24Å; I21-E24 PolarHBondContact O-N 3.27Å; I21-I25 HydrophobicContact CG2-CD1 3.73Å; I21-I25 HydrophobicContact CG2-CG1 4.41Å; I21-I25 WeakPolarHBondContact O-CB 3.49Å; I21-I25 VanDerWaalsContact O-CG1 3.25Å; I21-I25 WeakPolarHBondContact O-CG1 2.94Å; I21-I25 PolarHBondContact O-N 2.83Å
22F66.9Low62.7Low139 Ų139106.8 Ų106.861%0.6152%0.523SS*.Hα-helixtrans-64.2-37.5177.1-116.3-84.5000112.2W18 I19 Y20 K26W18-F22 WeakPolarHBondContact O-CB 3.27Å; W18-F22 PolarHBondContact O-N 2.72Å; I19-F22 PolarHBondContact O-N 2.93Å; Y20-F22 VanDerWaalsContact C-N 3.34Å; Y20-F22 PolarHBondContact O-N 3.16Å; F22-K26 VanDerWaalsContact O-CB 3.26Å; F22-K26 WeakPolarHBondContact O-CB 3.26Å; F22-K26 PolarHBondContact O-N 2.94Å
23Y64.8Low60.4Low138 Ų138109.3 Ų109.354%0.54154%0.536SS..Hα-helixtrans-66.2-43.5177.1-172.8-95.3000111.9I19 Y20 I21 K26 Q27I19-Y23 WeakPolarHBondContact O-CB 2.94Å; I19-Y23 PolarHBondContact O-N 3.26Å; Y20-Y23 PolarHBondContact O-N 3.21Å; I21-Y23 VanDerWaalsContact C-N 3.32Å; I21-Y23 PolarHBondContact O-N 3.24Å; Y23-K26 PolarHBondContact O-N 2.98Å; Y23-Q27 HydrophobicContact CD1-CG 4.36Å; Y23-Q27 HydrophobicContact CE1-CG 3.96Å; Y23-Q27 PolarHBondContact O-N 2.63Å
24E60.3Low58Low82 Ų82107.7 Ų107.738%0.38355%0.547SS..Hα-helixtrans-64.6-40.9175.1-70.5-66.2162.200112.1Y20 I21 K26 S28Y20-E24 HydrophobicContact CD1-CG 4.37Å; Y20-E24 HydrophobicContact CE1-CG 3.92Å; Y20-E24 HydrophobicContact CE2-CG 4.22Å; Y20-E24 VanDerWaalsContact CZ-OE1 3.26Å; Y20-E24 WeakPolarHBondContact O-CG 3.37Å; Y20-E24 PolarHBondContact O-N 3.48Å; Y20-E24 PolarHBondContact OH-OE1 3.03Å; I21-E24 PolarHBondContact O-N 3.27Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 2.63Å; E24-S28 WeakPolarHBondContact O-CB 3.16Å; E24-S28 PolarHBondContact O-N 3.49Å; E24-S28 PolarHBondContact O-OG 2.59Å
25I55.9Low55.6Low97 Ų97104.6 Ų104.650%0.49755%0.55SS..Hα-helixtrans-64.9-39.3173.5-67.7168.5000110.6I21 S28 S29I21-I25 HydrophobicContact CG2-CD1 3.73Å; I21-I25 HydrophobicContact CG2-CG1 4.41Å; I21-I25 WeakPolarHBondContact O-CB 3.49Å; I21-I25 VanDerWaalsContact O-CG1 3.25Å; I21-I25 WeakPolarHBondContact O-CG1 2.94Å; I21-I25 PolarHBondContact O-N 2.83Å; I25-S28 CarbonylContact O-C 3.18Å; I25-S28 PolarHBondContact O-N 2.98Å; I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 2.83Å; I25-S29 PolarHBondContact O-OG 3.07Å
26K47.7Very low52.9Low136 Ų136110.4 Ų110.459%0.59157%0.572SS**Hα-helixtrans-70.2-38.8-179.8-153.9-178.3-174-172.80112F22 Y23 E24 S28 S29 M30F22-K26 VanDerWaalsContact O-CB 3.26Å; F22-K26 WeakPolarHBondContact O-CB 3.26Å; F22-K26 PolarHBondContact O-N 2.94Å; Y23-K26 PolarHBondContact O-N 2.98Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 2.63Å; K26-S28 VanDerWaalsContact C-N 3.32Å; K26-S29 WeakPolarHBondContact CA-OG 3.31Å; K26-S29 PolarHBondContact O-N 3.18Å; K26-S29 PolarHBondContact O-OG 2.79Å; K26-M30 WeakPolarHBondContact O-CB 3.46Å; K26-M30 PolarHBondContact O-N 3.04Å
27Q46.3Very low50.4Low93 Ų93115.9 Ų115.944%0.43559%0.59SS.*Hα-helixtrans-62.3-41.7170.7-82.2-76.5-9.200111Y23 S29Y23-Q27 HydrophobicContact CD1-CG 4.36Å; Y23-Q27 HydrophobicContact CE1-CG 3.96Å; Y23-Q27 PolarHBondContact O-N 2.63Å; Q27-S29 PolarHBondContact O-N 3.31Å
28S44.5Very low47.8Very low71 Ų71118.8 Ų118.850%0.49760%0.6SS.*Hα-helixtrans-68.1-32176.5-55.50000113.2E24 I25 K26E24-S28 WeakPolarHBondContact O-CB 3.16Å; E24-S28 PolarHBondContact O-N 3.49Å; E24-S28 PolarHBondContact O-OG 2.59Å; I25-S28 CarbonylContact O-C 3.18Å; I25-S28 PolarHBondContact O-N 2.98Å; K26-S28 VanDerWaalsContact C-N 3.32Å
29S38.5Very low45.5Very low50 Ų50117.6 Ų117.635%0.3561%0.611SS.*Hα-helixtrans-89.6-20.5178.747.80000114.1I25 K26 Q27 I31 I32I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 2.83Å; I25-S29 PolarHBondContact O-OG 3.07Å; K26-S29 WeakPolarHBondContact CA-OG 3.31Å; K26-S29 PolarHBondContact O-N 3.18Å; K26-S29 PolarHBondContact O-OG 2.79Å; Q27-S29 PolarHBondContact O-N 3.31Å; S29-I31 PolarHBondContact O-N 3.29Å; S29-I32 WeakPolarHBondContact O-CB 3.32Å; S29-I32 PolarHBondContact O-N 2.61Å
30M31.3Very low43.2Very low133 Ų133118.3 Ų118.366%0.65562%0.62SS**Hα-helixtrans-67.7-18.6170.9-103.1-176.560.800113K26 I32K26-M30 WeakPolarHBondContact O-CB 3.46Å; K26-M30 PolarHBondContact O-N 3.04Å; M30-I32 PolarHBondContact O-N 3.18Å
31I37.2Very low41Very low114 Ų114115 Ų11559%0.58562%0.617SS**THydrogen-bonded Turntrans-72.1-13.8169.1-62173.4000111.4S29S29-I31 PolarHBondContact O-N 3.29Å
32I37Very low38.7Very low132 Ų132122 Ų12268%0.67764%0.644SS**THydrogen-bonded Turntrans-95.1-6.2-173.3-57.1178.4000113.3S29 M30S29-I32 WeakPolarHBondContact O-CB 3.32Å; S29-I32 PolarHBondContact O-N 2.61Å; M30-I32 PolarHBondContact O-N 3.18Å
33L31.6Very low37.1Very low159 Ų159124.1 Ų124.183%0.83265%0.65SS**SBendtrans-11238-172.8-67.5176.6000115.4
34G28.7Very low35.3Very low79 Ų79127.4 Ų127.481%0.81467%0.667SS**SBendtrans-144.180.2179.900000114.1
35G28.4Very low33.9Very low60 Ų60129.4 Ų129.462%0.61968%0.679SS**  trans149.685.8164.700000113.1F37G35-F37 PolarHBondContact O-N 3.18Å
36E26.8Very low32.4Very low200 Ų200134 Ų13494%0.93570%0.695SS**  trans-61.391154.4-76.5-178.8151.100107.5E38E36-E38 PolarHBondContact O-N 3.08Å; E36-E38 VanDerWaalsContact O-N 3.12Å
37F28.7Very low31.6Very low195 Ų195133.5 Ų133.586%0.85571%0.706SS**  trans-73.199.4162.7-92.5-88.5000106.8G35 P39G35-F37 PolarHBondContact O-N 3.18Å; F37-P39 WeakPolarHBondContact O-CD 3.33Å
38E25.6Very low30.9Very low161 Ų161135.4 Ų135.475%0.75272%0.716SS**  trans-52.4128.1160.4-82.6-167.8148.400108.3E36 V40E36-E38 PolarHBondContact O-N 3.08Å; E36-E38 VanDerWaalsContact O-N 3.12Å; E38-V40 PolarHBondContact O-N 2.98Å
39P29.6Very low30.1Very low117 Ų117142.4 Ų142.476%0.7673%0.733SS**  trans-70.186171.826.5-30.6000108.8F37 C41F37-P39 WeakPolarHBondContact O-CD 3.33Å; P39-C41 VanDerWaalsContact C-N 3.29Å; P39-C41 PolarHBondContact O-N 2.93Å
40V30.9Very low29.8Very low124 Ų124149.3 Ų149.375%0.75276%0.757SS**  trans-69.991.7163.9-177.60000106.7E38E38-V40 PolarHBondContact O-N 2.98Å
41C28.4Very low30Very low70 Ų70146.2 Ų146.247%0.47375%0.747SS.*  trans171.374.3145.8-88.50000110.3P39 Y43P39-C41 VanDerWaalsContact C-N 3.29Å; P39-C41 PolarHBondContact O-N 2.93Å; C41-Y43 HydrophobicContact CB-CD2 3.98Å; C41-Y43 HydrophobicContact CB-CE2 4.24Å; C41-Y43 PolarHBondContact O-N 3.36Å
42K24.1Very low29.7Very low212 Ų212151.9 Ų151.992%0.92276%0.763SS**  trans-7091.8161.9-75.8178.4178.1171.30109
43Y32.8Very low29.8Very low184 Ų184149 Ų14972%0.72274%0.744SS**  trans-109.5130.6168.2-78.9-75.9000112.4C41C41-Y43 HydrophobicContact CB-CD2 3.98Å; C41-Y43 HydrophobicContact CB-CE2 4.24Å; C41-Y43 PolarHBondContact O-N 3.36Å
44K26.7Very low30.1Very low207 Ų207146.8 Ų146.890%0.973%0.732SS**PPolyproline II helixtrans-70.8124.7174.7-80.2177.3173.7176.70109.9K46K44-K46 PolarHBondContact O-N 3.1Å
45I30.7Very low30.9Very low123 Ų123147.5 Ų147.563%0.63171%0.713SS**PPolyproline II helixtrans-62.3122.6174.4-59.4163.2000109.6
46K25.1Very low31.8Very low194 Ų194149.8 Ų149.884%0.84371%0.708SS**PPolyproline II helixtrans-92140.6160.4-85.4-173.6178.4178.80109.5K44K44-K46 PolarHBondContact O-N 3.1Å
47P30Very low33.3Very low125 Ų125145.9 Ų145.981%0.81269%0.693SS**PPolyproline II helixtrans-64.9140.2176.7-4.113.6000112.3
48M33.1Very low35.7Very low133 Ų133139.8 Ų139.866%0.65567%0.67SS**PPolyproline II helixtrans-58.1134.7-178.5-95.3170.7138.700114.6
49Y27.3Very low38.9Very low218 Ų218132.8 Ų132.886%0.85564%0.638SS**PPolyproline II helixtrans-72.7127.4143-103.6-99.5000108.1P51Y49-P51 WeakPolarHBondContact O-CD 3.46Å
50K32.1Very low42.1Very low196 Ų196127.2 Ų127.285%0.85260%0.602SS**  trans-75.6111.2166-83.1-177.8175.6179.60108
51P34.8Very low45.3Very low68 Ų68121.9 Ų121.944%0.44257%0.569SS.*  trans-74.5135.2173.8-4.924.2000108.4Y49 Y53Y49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-Y53 HydrophobicContact CB-CD2 4.17Å; P51-Y53 HydrophobicContact CB-CE1 4.4Å; P51-Y53 HydrophobicContact CB-CE2 3.44Å; P51-Y53 VanDerWaalsContact CB-CE2 3.44Å; P51-Y53 HydrophobicContact CG-CE2 3.63Å; P51-Y53 WeakPolarHBondContact CG-OH 3.33Å; P51-Y53 WeakPolarHBondContact O-CD2 3.46Å; P51-Y53 WeakPolarHBondContact O-CE2 3.32Å
52Y32.4Very low48.6Very low233 Ų233118.6 Ų118.691%0.91455%0.546SS*.  trans-77.1117.6171.6-173.3-93.9000107.9
53Y39.1Very low52.2Low72 Ų72108.5 Ų108.528%0.28250%0.502SS..  trans-107.1137.7-176.5-72.2-79.9000112P51 F55 Q160P51-Y53 HydrophobicContact CB-CD2 4.17Å; P51-Y53 HydrophobicContact CB-CE1 4.4Å; P51-Y53 HydrophobicContact CB-CE2 3.44Å; P51-Y53 VanDerWaalsContact CB-CE2 3.44Å; P51-Y53 HydrophobicContact CG-CE2 3.63Å; P51-Y53 WeakPolarHBondContact CG-OH 3.33Å; P51-Y53 WeakPolarHBondContact O-CD2 3.46Å; P51-Y53 WeakPolarHBondContact O-CE2 3.32Å; Y53-F55 VanDerWaalsContact O-CD2 3.29Å; Y53-F55 WeakPolarHBondContact O-CD2 3.21Å; Y53-F55 PolarHBondContact O-N 3.46Å; Y53-Q160 VanDerWaalsContact CZ-NE2 3.25Å; Y53-Q160 PolarHBondContact OH-NE2 3.28Å
54N37.1Very low55.3Low111 Ų11199.7 Ų99.759%0.59447%0.468SS*.  trans-8992177.6-158.9-0.4000109.1H56N54-H56 VanDerWaalsContact CG-NE2 3.27Å; N54-H56 PolarHBondContact ND2-CD2 3.18Å; N54-H56 VanDerWaalsContact ND2-CD2 3.26Å; N54-H56 PolarHBondContact ND2-NE2 3.31Å; N54-H56 PolarHBondContact O-N 3.36Å; N54-H56 PolarHBondContact OD1-CD2 2.82Å; N54-H56 PolarHBondContact OD1-NE2 3.16Å; N54-H56 VanDerWaalsContact OD1-NE2 3.15Å
55F44.9Very low58.6Low94 Ų9490.8 Ų90.841%0.41243%0.43SS..  trans-75.169.5179.8-58.9-83.7000110.9Y53 E197 I198Y53-F55 VanDerWaalsContact O-CD2 3.29Å; Y53-F55 WeakPolarHBondContact O-CD2 3.21Å; Y53-F55 PolarHBondContact O-N 3.46Å; F55-E197 HydrophobicContact CD2-CB 4.22Å; F55-E197 HydrophobicContact CE2-CB 4.25Å; F55-E197 HydrophobicContact CG-CB 4.38Å; F55-E197 HydrophobicContact CZ-CB 4.43Å; F55-I198 HydrophobicContact CD1-CG1 4.48Å; F55-I198 HydrophobicContact CE1-CG1 4.11Å
56H48.3Very low61.6Low108 Ų10885 Ų8550%0.540%0.4SS..  trans-75.4157.6171.8-76.9-60.1000111.1N54 D58 T59N54-H56 VanDerWaalsContact CG-NE2 3.27Å; N54-H56 PolarHBondContact ND2-CD2 3.18Å; N54-H56 VanDerWaalsContact ND2-CD2 3.26Å; N54-H56 PolarHBondContact ND2-NE2 3.31Å; N54-H56 PolarHBondContact O-N 3.36Å; N54-H56 PolarHBondContact OD1-CD2 2.82Å; N54-H56 PolarHBondContact OD1-NE2 3.16Å; N54-H56 VanDerWaalsContact OD1-NE2 3.15Å; H56-D58 PolarHBondContact O-N 3.3Å; H56-T59 PolarHBondContact O-N 2.9Å
57N58.6Low64.6Low119 Ų11976.7 Ų76.764%0.63637%0.368SS*.THydrogen-bonded Turntrans-58.3-9.2171.8-80.2-1.9000113.9R199N57-R199 PolarHBondContact OD1-NH2 3.08Å
58D77.3Confident66.9Low66 Ų6673 Ų7335%0.35335%0.352SS..THydrogen-bonded Turntrans-10020.7-174.5-61.1-36.4000113.3H56 K127 L129H56-D58 PolarHBondContact O-N 3.3Å; D58-K127 VanDerWaalsContact CG-NZ 3.34Å; D58-K127 IonicContact OD1-NZ 3.76Å; D58-K127 WeakPolarHBondContact OD2-CE 3.48Å; D58-K127 IonicContact OD2-NZ 2.63Å; D58-K127 PolarHBondContact OD2-NZ 3.2Å; D58-L129 HydrophobicContact CB-CD2 3.79Å; D58-L129 WeakPolarHBondContact O-CB 3.11Å; D58-L129 WeakPolarHBondContact O-CD2 3.38Å
59T93.2Very high69.4Low15 Ų1567.9 Ų67.99%0.09233%0.334CS..EExtended strand (participates in β ladder)trans-112.6126.9178-57.30000110.9H56 H61 S130 V132 W218H56-T59 PolarHBondContact O-N 2.9Å; T59-H61 PolarHBondContact O-CD2 3.46Å; T59-S130 WeakPolarHBondContact CA-O 3.46Å; T59-V132 HydrophobicContact CG2-CB 4.45Å; T59-V132 HydrophobicContact CG2-CG2 3.46Å; T59-V132 VanDerWaalsContact CG2-CG2 3.46Å; T59-W218 WeakPolarHBondContact O-CZ2 3.25Å
60I96.5Very high72.4Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-86.6122.3173.8-57.8179.6000108.1I62 L129 S130 I131 V132 I202 I214 W218I60-I62 HydrophobicContact CG2-CD1 4.22Å; I60-I62 HydrophobicContact CG2-CG1 3.89Å; I60-L129 HydrophobicContact CD1-CB 4.07Å; I60-L129 HydrophobicContact CD1-CD1 4.01Å; I60-L129 HydrophobicContact CG1-CB 3.99Å; I60-L129 HydrophobicContact CG1-CD1 3.88Å; I60-S130 PolarHBondContact N-O 2.94Å; I60-I131 HydrophobicContact CB-CG1 4.13Å; I60-I131 CarbonylContact O-C 3.55Å; I60-I131 WeakPolarHBondContact O-CA 3.17Å; I60-V132 PolarHBondContact O-N 2.62Å; I60-I202 HydrophobicContact CG2-CD1 4.39Å; I60-I214 HydrophobicContact CD1-CG2 3.92Å; I60-I214 HydrophobicContact CG2-CG1 4.37Å; I60-W218 HydrophobicContact CB-CD2 4.22Å; I60-W218 HydrophobicContact CB-CE3 4.3Å; I60-W218 HydrophobicContact CB-CG 4.47Å; I60-W218 HydrophobicContact CD1-CB 4.16Å; I60-W218 HydrophobicContact CD1-CG 4.38Å; I60-W218 HydrophobicContact CG1-CB 4.14Å; I60-W218 HydrophobicContact CG1-CD2 4.06Å; I60-W218 HydrophobicContact CG1-CG 3.83Å; I60-W218 HydrophobicContact CG2-CB 4.38Å; I60-W218 HydrophobicContact CG2-CD2 4Å; I60-W218 HydrophobicContact CG2-CE3 3.68Å; I60-W218 HydrophobicContact CG2-CG 4.31Å; I60-W218 HydrophobicContact CG2-CZ3 4.25Å
61H98.3Very high75.2Confident12 Ų1256.4 Ų56.46%0.05630%0.296CS..EExtended strand (participates in β ladder)trans-102124.6175.3-66.8-89.6000109.8T59 H134 I198 V201 I202 W218T59-H61 PolarHBondContact O-CD2 3.46Å; H61-H134 AromaticContact CE1-NE2 3.9Å; H61-H134 AromaticContact CG-NE2 3.79Å; H61-H134 AromaticContact ND1-CD2 3.9Å; H61-H134 AromaticContact ND1-CE1 3.83Å; H61-H134 AromaticContact ND1-NE2 2.9Å; H61-H134 PolarHBondContact ND1-NE2 3.44Å; H61-I198 HydrophobicContact CB-CG2 4.19Å; H61-V201 HydrophobicContact CB-CB 4.31Å; H61-V201 HydrophobicContact CB-CG2 4.07Å; H61-I202 PolarHBondContact O-N 3Å; H61-W218 HydrophobicContact CB-CH2 4.06Å; H61-W218 HydrophobicContact CB-CZ3 4.27Å; H61-W218 VanDerWaalsContact N-CZ3 3.33Å; H61-W218 WeakPolarHBondContact O-CZ3 3.42Å
62I98.7Very high77.8Confident0 Ų054 Ų540%028%0.28CS..EExtended strand (participates in β ladder)trans-123.1123.4178.9-52.1177000108.5I60 M64 I83 I131 V132 F133 H134 I202 L204 I214I60-I62 HydrophobicContact CG2-CD1 4.22Å; I60-I62 HydrophobicContact CG2-CG1 3.89Å; I62-M64 HydrophobicContact CG2-CE 3.88Å; I62-I83 HydrophobicContact CD1-CD1 4.07Å; I62-I131 HydrophobicContact CD1-CG2 3.85Å; I62-I131 HydrophobicContact CG1-CG2 4.18Å; I62-V132 PolarHBondContact N-O 3.35Å; I62-F133 HydrophobicContact CB-CD1 3.93Å; I62-F133 HydrophobicContact CB-CE1 4.06Å; I62-F133 HydrophobicContact CD1-CD1 4.49Å; I62-F133 HydrophobicContact CD1-CE1 3.81Å; I62-F133 HydrophobicContact CD1-CZ 4.27Å; I62-F133 HydrophobicContact CG1-CE1 4.48Å; I62-F133 HydrophobicContact CG2-CD1 4.2Å; I62-F133 HydrophobicContact CG2-CE1 4.17Å; I62-F133 CarbonylContact O-C 3.6Å; I62-F133 WeakPolarHBondContact O-CA 3.39Å; I62-H134 PolarHBondContact O-N 3.49Å; I62-I202 CarbonylContact C-O 3.1Å; I62-I202 VanDerWaalsContact CA-O 3.27Å; I62-I202 WeakPolarHBondContact CA-O 3.4Å; I62-L204 HydrophobicContact CG2-CD1 3.84Å; I62-L204 HydrophobicContact CG2-CG 4.22Å; I62-I214 HydrophobicContact CD1-CD1 4.34Å; I62-I214 HydrophobicContact CD1-CG1 3.83Å
63A98.7Very high80.9Confident0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-106.7138175.900000111.1H134 I190 V201 I202 V203 L204A63-H134 VanDerWaalsContact CA-O 3.28Å; A63-H134 WeakPolarHBondContact CA-O 3.5Å; A63-H134 HydrophobicContact CB-CB 4.11Å; A63-I190 HydrophobicContact CB-CD1 3.93Å; A63-V201 HydrophobicContact CB-CG2 3.78Å; A63-I202 PolarHBondContact N-O 3.16Å; A63-V203 HydrophobicContact CB-CG2 4.36Å; A63-V203 WeakPolarHBondContact O-CA 3.34Å; A63-L204 PolarHBondContact O-N 3.27Å
64M98.2Very high83.6Confident0 Ų040.2 Ų40.20%023%0.227CC..EExtended strand (participates in β ladder)trans-134.1135.5175.9-61.1178-172.900109.5I62 L66 A76 L79 I83 F133 H134 F135 I136 L204I62-M64 HydrophobicContact CG2-CE 3.88Å; M64-L66 HydrophobicContact CB-CD2 4.23Å; M64-A76 HydrophobicContact SD-CB 4.36Å; M64-L79 HydrophobicContact CE-CD2 3.46Å; M64-L79 VanDerWaalsContact CE-CD2 3.46Å; M64-L79 HydrophobicContact CE-CG 3.84Å; M64-L79 HydrophobicContact SD-CD2 4.09Å; M64-I83 HydrophobicContact CE-CD1 4.35Å; M64-F133 HydrophobicContact CE-CD1 4.05Å; M64-F133 HydrophobicContact CE-CE1 3.8Å; M64-H134 PolarHBondContact N-O 2.87Å; M64-F135 HydrophobicContact CB-CD1 4.1Å; M64-F135 HydrophobicContact CB-CE1 4.33Å; M64-F135 HydrophobicContact SD-CE1 3.94Å; M64-I136 PolarHBondContact O-N 2.87Å; M64-L204 HydrophobicContact CE-CD1 4.4Å
65L95.8Very high86.3Confident20 Ų2035.2 Ų35.211%0.10520%0.199CC..EExtended strand (participates in β ladder)trans-90.6117.3172.2173.762.9000108.9A67 I136 I164 K183 L186L65-A67 HydrophobicContact CD1-CB 4.21Å; L65-A67 HydrophobicContact CG-CB 4.25Å; L65-I136 HydrophobicContact CD1-CB 4.02Å; L65-I136 HydrophobicContact CD1-CG2 3.82Å; L65-I164 HydrophobicContact CD1-CD1 3.84Å; L65-I164 HydrophobicContact CD1-CG1 4.43Å; L65-K183 VanDerWaalsContact CD2-O 3.29Å; L65-K183 WeakPolarHBondContact CD2-O 3.3Å; L65-L186 HydrophobicContact CD1-CB 4.23Å; L65-L186 HydrophobicContact CD1-CD1 3.55Å; L65-L186 HydrophobicContact CD2-CB 4.41Å
66L94.6Very high88.8Confident0 Ų030.7 Ų30.70%018%0.18CC..EExtended strand (participates in β ladder)trans-115.490.1-179-54-175.1000110.3M64 N72 A76 F135 I136 V137 P141 M145 T206M64-L66 HydrophobicContact CB-CD2 4.23Å; L66-N72 WeakPolarHBondContact CA-OD1 3.44Å; L66-A76 HydrophobicContact CD1-CB 4.21Å; L66-A76 HydrophobicContact CD2-CB 3.68Å; L66-F135 HydrophobicContact CD1-CB 4.27Å; L66-F135 HydrophobicContact CD1-CD1 3.63Å; L66-F135 HydrophobicContact CD1-CE1 4.22Å; L66-F135 HydrophobicContact CD1-CG 4.06Å; L66-F135 HydrophobicContact CG-CD1 4.23Å; L66-I136 PolarHBondContact N-O 3.23Å; L66-V137 HydrophobicContact CB-CG1 3.75Å; L66-V137 HydrophobicContact CD1-CG1 3.95Å; L66-V137 HydrophobicContact CG-CG1 4.2Å; L66-P141 HydrophobicContact CB-CB 4.02Å; L66-M145 HydrophobicContact CD1-CE 4.46Å; L66-M145 HydrophobicContact CD1-CG 3.61Å; L66-M145 HydrophobicContact CD1-SD 4.24Å; L66-T206 HydrophobicContact CD2-CG2 3.4Å; L66-T206 VanDerWaalsContact CD2-CG2 3.4Å
67A87.1Confident91.2Very high20 Ų2026.3 Ų26.317%0.16516%0.159CC..  trans-127.4-5.7-171.500000113.8L65 N72 I164 K183L65-A67 HydrophobicContact CD1-CB 4.21Å; L65-A67 HydrophobicContact CG-CB 4.25Å; A67-N72 PolarHBondContact N-OD1 3.3Å; A67-I164 HydrophobicContact CB-CD1 3.95Å; A67-K183 HydrophobicContact CB-CB 4.14Å; A67-K183 HydrophobicContact CB-CD 3.6Å
68G79.1Confident92.9Very high47 Ų4720.6 Ų20.649%0.48513%0.129SC..SBendtrans-97.720.9-173.700000115.4N72G68-N72 PolarHBondContact N-OD1 2.91Å
69G86.4Confident93.9Very high27 Ų2717.5 Ų17.528%0.27811%0.112SC..Hα-helixtrans77.8-152.9-178.800000114.1N72 C73G69-N72 PolarHBondContact O-N 3.18Å; G69-C73 PolarHBondContact O-N 3.32Å; G69-C73 PolarHBondContact O-SG 2.82Å
70I89Confident94.1Very high85 Ų8516.8 Ų16.844%0.43611%0.108SC..Hα-helixtrans-67.5-42.4-172.9-63.6177.3000111.8N72 C73 N74 L140 F144I70-N72 PolarHBondContact O-N 3.36Å; I70-C73 CarbonylContact O-C 3.48Å; I70-C73 WeakPolarHBondContact O-CA 3.31Å; I70-C73 VanDerWaalsContact O-CB 3.27Å; I70-C73 WeakPolarHBondContact O-CB 3.24Å; I70-C73 PolarHBondContact O-N 3.36Å; I70-N74 PolarHBondContact O-N 3.06Å; I70-L140 HydrophobicContact CG1-CD2 3.63Å; I70-F144 HydrophobicContact CG2-CE2 4.24Å
71D90.8Very high94Very high87 Ų8716.9 Ų16.947%0.46511%0.108SC..Hα-helixtrans-56.8-41.6179.6-67.6-8.5000111C73 N74 Q75 E373D71-C73 PolarHBondContact O-N 3.48Å; D71-N74 WeakPolarHBondContact O-CB 3.07Å; D71-N74 PolarHBondContact O-N 3.48Å; D71-N74 VanDerWaalsContact O-N 3.17Å; D71-Q75 VanDerWaalsContact O-CG 3.32Å; D71-Q75 WeakPolarHBondContact O-CG 3.48Å; D71-Q75 PolarHBondContact O-N 3.01Å; D71-E373 HydrophobicContact CB-CB 3.83Å; D71-E373 HydrophobicContact CB-CG 3.99Å
72N90.6Very high93.7Very high19 Ų1916.3 Ų16.310%0.10211%0.106CC..Hα-helixtrans-64.7-29.8176.7-168.1-148.9000112.8L66 A67 G68 G69 I70 Q75 A76 T206L66-N72 WeakPolarHBondContact CA-OD1 3.44Å; A67-N72 PolarHBondContact N-OD1 3.3Å; G68-N72 PolarHBondContact N-OD1 2.91Å; G69-N72 PolarHBondContact O-N 3.18Å; I70-N72 PolarHBondContact O-N 3.36Å; N72-Q75 PolarHBondContact ND2-OE1 3.26Å; N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 3.45Å; N72-A76 VanDerWaalsContact O-N 3.1Å; N72-T206 WeakPolarHBondContact ND2-CG2 3.44Å; N72-T206 PolarHBondContact ND2-OG1 3.47Å
73C95.9Very high93.5Very high0 Ų016.3 Ų16.30%011%0.106CC..Hα-helixtrans-74.5-39.6172.7-55.30000112.2G69 I70 D71 Q75 A76 E77 P141 F144 M145G69-C73 PolarHBondContact O-N 3.32Å; G69-C73 PolarHBondContact O-SG 2.82Å; I70-C73 CarbonylContact O-C 3.48Å; I70-C73 WeakPolarHBondContact O-CA 3.31Å; I70-C73 VanDerWaalsContact O-CB 3.27Å; I70-C73 WeakPolarHBondContact O-CB 3.24Å; I70-C73 PolarHBondContact O-N 3.36Å; D71-C73 PolarHBondContact O-N 3.48Å; C73-Q75 VanDerWaalsContact C-N 3.32Å; C73-Q75 PolarHBondContact O-N 2.96Å; C73-A76 WeakPolarHBondContact O-CB 3.34Å; C73-A76 PolarHBondContact O-N 3.04Å; C73-E77 PolarHBondContact O-N 2.63Å; C73-P141 VanDerWaalsContact SG-CA 3.57Å; C73-P141 VanDerWaalsContact SG-CB 3.58Å; C73-F144 HydrophobicContact CB-CD1 3.32Å; C73-F144 HydrophobicContact CB-CE1 3.47Å; C73-F144 VanDerWaalsContact CB-CE1 3.47Å; C73-F144 HydrophobicContact CB-CG 3.95Å; C73-F144 HydrophobicContact CB-CZ 4.22Å; C73-M145 HydrophobicContact CB-CG 4.43Å; C73-M145 HydrophobicContact CB-SD 4.03Å
74N95.8Very high93.1Very high15 Ų1516.3 Ų16.38%0.0811%0.106CC..Hα-helixtrans-62.4-40.4174.6-70.2-21.7000111.9I70 D71 E77 T78 E373 R410I70-N74 PolarHBondContact O-N 3.06Å; D71-N74 WeakPolarHBondContact O-CB 3.07Å; D71-N74 PolarHBondContact O-N 3.48Å; D71-N74 VanDerWaalsContact O-N 3.17Å; N74-E77 PolarHBondContact O-N 3.37Å; N74-T78 WeakPolarHBondContact O-CB 3Å; N74-T78 PolarHBondContact O-N 3.47Å; N74-T78 PolarHBondContact O-OG1 3.35Å; N74-E373 VanDerWaalsContact CB-CD 3.5Å; N74-E373 HydrophobicContact CB-CG 4.2Å; N74-E373 WeakPolarHBondContact CB-OE2 3.49Å; N74-E373 PolarHBondContact ND2-OE2 2.95Å; N74-R410 PolarHBondContact ND2-NH2 3.04Å; N74-R410 PolarHBondContact OD1-NH2 3.3Å
75Q95.5Very high92.4Very high5 Ų516.7 Ų16.72%0.02311%0.107CC..Hα-helixtrans-60.7-46.4171.3-71.7177.8-35.200111.3D71 N72 C73 E77 T78 L79 T206 E371 P372 E373 Y406D71-Q75 VanDerWaalsContact O-CG 3.32Å; D71-Q75 WeakPolarHBondContact O-CG 3.48Å; D71-Q75 PolarHBondContact O-N 3.01Å; N72-Q75 PolarHBondContact ND2-OE1 3.26Å; C73-Q75 VanDerWaalsContact C-N 3.32Å; C73-Q75 PolarHBondContact O-N 2.96Å; Q75-E77 PolarHBondContact O-N 3.15Å; Q75-T78 PolarHBondContact O-N 3.31Å; Q75-L79 WeakPolarHBondContact O-CB 3.27Å; Q75-L79 PolarHBondContact O-N 2.92Å; Q75-T206 PolarHBondContact OE1-OG1 2.89Å; Q75-E371 PolarHBondContact NE2-OE2 3.36Å; Q75-P372 HydrophobicContact CG-CG 4.43Å; Q75-E373 HydrophobicContact CG-CG 3.83Å; Q75-Y406 WeakPolarHBondContact CA-OH 3.31Å; Q75-Y406 VanDerWaalsContact CG-OH 3.23Å; Q75-Y406 WeakPolarHBondContact CG-OH 3.49Å
76A97.2Very high91.9Very high0 Ų017.7 Ų17.70%011%0.111CC..Hα-helixtrans-60.8-44.817700000112M64 L66 N72 C73 T78 L79 I80 M145 T206M64-A76 HydrophobicContact SD-CB 4.36Å; L66-A76 HydrophobicContact CD1-CB 4.21Å; L66-A76 HydrophobicContact CD2-CB 3.68Å; N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 3.45Å; N72-A76 VanDerWaalsContact O-N 3.1Å; C73-A76 WeakPolarHBondContact O-CB 3.34Å; C73-A76 PolarHBondContact O-N 3.04Å; A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.12Å; A76-L79 PolarHBondContact O-N 3.27Å; A76-I80 WeakPolarHBondContact O-CD1 3.41Å; A76-I80 WeakPolarHBondContact O-CG1 3.24Å; A76-I80 PolarHBondContact O-N 3.22Å; A76-M145 HydrophobicContact CB-CE 4.39Å; A76-M145 HydrophobicContact CB-SD 4.5Å; A76-T206 HydrophobicContact CB-CG2 4.06Å
77E97Very high91.4Very high15 Ų1518.2 Ų18.27%0.0711%0.114CC..Hα-helixtrans-56.9-46.7172.9-177.3-169.816800111C73 N74 Q75 I80 K81 L148 W152 R414C73-E77 PolarHBondContact O-N 2.63Å; N74-E77 PolarHBondContact O-N 3.37Å; Q75-E77 PolarHBondContact O-N 3.15Å; E77-I80 WeakPolarHBondContact O-CB 3.42Å; E77-I80 PolarHBondContact O-N 3.26Å; E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 2.88Å; E77-K81 WeakPolarHBondContact OE1-CE 3.44Å; E77-K81 IonicContact OE1-NZ 2.61Å; E77-K81 PolarHBondContact OE1-NZ 2.74Å; E77-L148 HydrophobicContact CB-CD1 3.94Å; E77-L148 HydrophobicContact CG-CD1 3.82Å; E77-W152 HydrophobicContact CG-CZ3 4.28Å; E77-R414 WeakPolarHBondContact OE1-CG 3.34Å
78T96.1Very high90.9Very high0 Ų024.1 Ų24.10%014%0.136CC..Hα-helixtrans-66.2-39.8-178.1-54.90000111.8N74 Q75 A76 K81 S82 L209 Y406 L409 R410N74-T78 WeakPolarHBondContact O-CB 3Å; N74-T78 PolarHBondContact O-N 3.47Å; N74-T78 PolarHBondContact O-OG1 3.35Å; Q75-T78 PolarHBondContact O-N 3.31Å; A76-T78 VanDerWaalsContact C-N 3.32Å; A76-T78 PolarHBondContact O-N 3.12Å; T78-K81 WeakPolarHBondContact O-CB 3.45Å; T78-K81 PolarHBondContact O-N 2.93Å; T78-S82 PolarHBondContact O-N 3.28Å; T78-L209 HydrophobicContact CG2-CD2 4.14Å; T78-Y406 HydrophobicContact CG2-CD1 4.33Å; T78-Y406 HydrophobicContact CG2-CD2 3.74Å; T78-Y406 HydrophobicContact CG2-CE1 4.36Å; T78-Y406 HydrophobicContact CG2-CE2 3.74Å; T78-Y406 HydrophobicContact CG2-CG 4.04Å; T78-L409 HydrophobicContact CG2-CB 3.84Å; T78-R410 HydrophobicContact CG2-CB 4.27Å; T78-R410 VanDerWaalsContact OG1-CD 3.23Å; T78-R410 WeakPolarHBondContact OG1-CD 3.35Å
79L97.6Very high90.9Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-62.3-45.5171.6171.153.9000111M64 Q75 A76 K81 S82 I83 L204 N205 I208M64-L79 HydrophobicContact CE-CD2 3.46Å; M64-L79 VanDerWaalsContact CE-CD2 3.46Å; M64-L79 HydrophobicContact CE-CG 3.84Å; M64-L79 HydrophobicContact SD-CD2 4.09Å; Q75-L79 WeakPolarHBondContact O-CB 3.27Å; Q75-L79 PolarHBondContact O-N 2.92Å; A76-L79 PolarHBondContact O-N 3.27Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 2.87Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.91Å; L79-S82 PolarHBondContact O-OG 2.96Å; L79-I83 HydrophobicContact CD1-CD1 4.13Å; L79-I83 HydrophobicContact CD1-CG1 4.22Å; L79-I83 HydrophobicContact CG-CD1 4.22Å; L79-I83 WeakPolarHBondContact O-CG1 3.42Å; L79-I83 PolarHBondContact O-N 2.88Å; L79-L204 HydrophobicContact CD2-CB 4.23Å; L79-L204 HydrophobicContact CD2-CD1 4.25Å; L79-N205 VanDerWaalsContact CD2-O 3.31Å; L79-N205 WeakPolarHBondContact CD2-O 3.48Å; L79-I208 HydrophobicContact CD1-CB 4.46Å; L79-I208 HydrophobicContact CD1-CG2 4.1Å; L79-I208 WeakPolarHBondContact CD1-O 3.18Å; L79-I208 HydrophobicContact CD2-CB 4.45Å
80I97.4Very high90.5Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-57.2-46174.5-67.6162.1000110.2A76 E77 S82 I83 L84 F133 F135 M145 M149 W152 L154A76-I80 WeakPolarHBondContact O-CD1 3.41Å; A76-I80 WeakPolarHBondContact O-CG1 3.24Å; A76-I80 PolarHBondContact O-N 3.22Å; E77-I80 WeakPolarHBondContact O-CB 3.42Å; E77-I80 PolarHBondContact O-N 3.26Å; I80-S82 VanDerWaalsContact C-N 3.31Å; I80-S82 PolarHBondContact O-N 3.37Å; I80-I83 WeakPolarHBondContact O-CB 3.23Å; I80-I83 PolarHBondContact O-N 3.27Å; I80-I83 VanDerWaalsContact O-N 3.1Å; I80-L84 HydrophobicContact CG2-CD1 3.86Å; I80-L84 HydrophobicContact CG2-CG 4.17Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.36Å; I80-L84 PolarHBondContact O-N 3.1Å; I80-F133 HydrophobicContact CG1-CE1 3.99Å; I80-F133 HydrophobicContact CG1-CE2 4.32Å; I80-F133 HydrophobicContact CG1-CZ 3.86Å; I80-F133 HydrophobicContact CG2-CE2 4.37Å; I80-F133 HydrophobicContact CG2-CZ 4.3Å; I80-F135 HydrophobicContact CD1-CE1 4.49Å; I80-F135 HydrophobicContact CD1-CZ 3.9Å; I80-M145 HydrophobicContact CD1-CE 4.04Å; I80-M149 HydrophobicContact CD1-SD 4.06Å; I80-W152 HydrophobicContact CB-CZ3 4.36Å; I80-W152 HydrophobicContact CG2-CH2 3.83Å; I80-W152 HydrophobicContact CG2-CZ3 3.71Å; I80-L154 HydrophobicContact CG2-CD1 4.49Å
81K93.4Very high89.5Confident2 Ų220.7 Ų20.71%0.00910%0.095CC..Hα-helixtrans-57.8-41.6174.6-70.5178.7-176.8168.60112.1E77 T78 L79 I83 L84 F85 W152 L409 M412 F417E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 2.88Å; E77-K81 WeakPolarHBondContact OE1-CE 3.44Å; E77-K81 IonicContact OE1-NZ 2.61Å; E77-K81 PolarHBondContact OE1-NZ 2.74Å; T78-K81 WeakPolarHBondContact O-CB 3.45Å; T78-K81 PolarHBondContact O-N 2.93Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 2.87Å; K81-I83 VanDerWaalsContact C-N 3.33Å; K81-I83 PolarHBondContact O-N 3.36Å; K81-L84 PolarHBondContact O-N 2.95Å; K81-F85 WeakPolarHBondContact O-CB 3.39Å; K81-F85 PolarHBondContact O-N 3.06Å; K81-W152 HydrophobicContact CG-CH2 3.57Å; K81-W152 HydrophobicContact CG-CZ2 4.05Å; K81-L409 HydrophobicContact CB-CB 4.28Å; K81-L409 HydrophobicContact CB-CD2 4.27Å; K81-L409 WeakPolarHBondContact CD-O 3.22Å; K81-L409 PolarHBondContact NZ-O 3.19Å; K81-M412 PolarHBondContact NZ-O 2.8Å; K81-F417 HydrophobicContact CB-CE1 4.08Å; K81-F417 HydrophobicContact CB-CE2 4.18Å; K81-F417 HydrophobicContact CB-CZ 3.71Å; K81-F417 HydrophobicContact CD-CE2 3.79Å; K81-F417 HydrophobicContact CD-CZ 4.1Å; K81-F417 HydrophobicContact CG-CD2 4.23Å; K81-F417 HydrophobicContact CG-CE1 4.38Å; K81-F417 HydrophobicContact CG-CE2 3.72Å; K81-F417 HydrophobicContact CG-CZ 3.79Å; K81-F417 WeakPolarHBondContact O-CE1 3.36Å
82S93Very high88.2Confident0 Ų018.7 Ų18.70%09%0.088CC..Hα-helixtrans-64.1-37.1175.978.80000112.7T78 L79 I80 H86 L210T78-S82 PolarHBondContact O-N 3.28Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.91Å; L79-S82 PolarHBondContact O-OG 2.96Å; I80-S82 VanDerWaalsContact C-N 3.31Å; I80-S82 PolarHBondContact O-N 3.37Å; S82-H86 PolarHBondContact O-CD2 3.3Å; S82-H86 VanDerWaalsContact O-CD2 3.24Å; S82-H86 PolarHBondContact O-N 2.95Å; S82-L210 PolarHBondContact OG-N 3.49Å; S82-L210 VanDerWaalsContact OG-N 3.12Å
83I93.9Very high86.9Confident0 Ų018.7 Ų18.70%09%0.089CC..Hα-helixtrans-64.1-52174.2-65.9164.6000109.9I62 M64 L79 I80 K81 F85 H86 Q87 I131 F133 L210 I214I62-I83 HydrophobicContact CD1-CD1 4.07Å; M64-I83 HydrophobicContact CE-CD1 4.35Å; L79-I83 HydrophobicContact CD1-CD1 4.13Å; L79-I83 HydrophobicContact CD1-CG1 4.22Å; L79-I83 HydrophobicContact CG-CD1 4.22Å; L79-I83 WeakPolarHBondContact O-CG1 3.42Å; L79-I83 PolarHBondContact O-N 2.88Å; I80-I83 WeakPolarHBondContact O-CB 3.23Å; I80-I83 PolarHBondContact O-N 3.27Å; I80-I83 VanDerWaalsContact O-N 3.1Å; K81-I83 VanDerWaalsContact C-N 3.33Å; K81-I83 PolarHBondContact O-N 3.36Å; I83-F85 VanDerWaalsContact C-N 3.27Å; I83-F85 PolarHBondContact O-N 2.81Å; I83-H86 PolarHBondContact O-N 3.46Å; I83-Q87 HydrophobicContact CG2-CG 4.34Å; I83-Q87 WeakPolarHBondContact O-CB 3.08Å; I83-Q87 WeakPolarHBondContact O-CG 3.01Å; I83-Q87 PolarHBondContact O-N 3.32Å; I83-I131 HydrophobicContact CG2-CD1 4.01Å; I83-F133 HydrophobicContact CD1-CE1 4.01Å; I83-F133 HydrophobicContact CD1-CZ 4.13Å; I83-L210 HydrophobicContact CB-CD2 4.45Å; I83-L210 HydrophobicContact CG1-CB 4.35Å; I83-L210 HydrophobicContact CG1-CD2 3.91Å; I83-I214 HydrophobicContact CG2-CB 4.16Å; I83-I214 HydrophobicContact CG2-CG2 3.86Å
84L90Very high85.2Confident0 Ų028.1 Ų28.10%013%0.13CC..Hα-helixtrans-58.8-41.5179-65.8174.8000111.5I80 K81 H86 Q87 K88 R89 W152 L154 I157 F417I80-L84 HydrophobicContact CG2-CD1 3.86Å; I80-L84 HydrophobicContact CG2-CG 4.17Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.36Å; I80-L84 PolarHBondContact O-N 3.1Å; K81-L84 PolarHBondContact O-N 2.95Å; L84-H86 PolarHBondContact O-N 3.36Å; L84-Q87 CarbonylContact O-C 3.59Å; L84-Q87 PolarHBondContact O-N 3.07Å; L84-K88 PolarHBondContact O-N 3.31Å; L84-K88 VanDerWaalsContact O-N 3.16Å; L84-R89 HydrophobicContact CB-CB 4.11Å; L84-R89 HydrophobicContact CD2-CB 3.99Å; L84-R89 HydrophobicContact CD2-CG 4.2Å; L84-R89 WeakPolarHBondContact O-CB 3.41Å; L84-R89 PolarHBondContact O-N 3.07Å; L84-W152 HydrophobicContact CD1-CH2 3.59Å; L84-W152 HydrophobicContact CD1-CZ2 3.45Å; L84-W152 VanDerWaalsContact CD1-CZ2 3.45Å; L84-W152 HydrophobicContact CD1-CZ3 4.48Å; L84-L154 HydrophobicContact CD1-CD1 3.81Å; L84-L154 HydrophobicContact CD1-CD2 3.85Å; L84-L154 HydrophobicContact CD2-CD1 4.44Å; L84-L154 HydrophobicContact CD2-CD2 4.43Å; L84-I157 HydrophobicContact CD2-CD1 3.3Å; L84-F417 HydrophobicContact CB-CD1 3.6Å; L84-F417 HydrophobicContact CB-CE1 4.2Å; L84-F417 HydrophobicContact CB-CG 4.45Å; L84-F417 HydrophobicContact CD1-CB 3.83Å; L84-F417 HydrophobicContact CD1-CD1 4.05Å; L84-F417 HydrophobicContact CD1-CG 4.1Å; L84-F417 HydrophobicContact CG-CD1 4.48Å
85F84.6Confident83.8Confident9 Ų936.4 Ų36.44%0.03917%0.168CC..Hα-helixtrans-56.4-50.7177.9-171-99.5000111.4K81 I83 K88 W90 W111 L112 I115 F417K81-F85 WeakPolarHBondContact O-CB 3.39Å; K81-F85 PolarHBondContact O-N 3.06Å; I83-F85 VanDerWaalsContact C-N 3.27Å; I83-F85 PolarHBondContact O-N 2.81Å; F85-K88 PolarHBondContact O-N 2.93Å; F85-K88 VanDerWaalsContact O-N 3.08Å; F85-W90 AromaticContact CD2-CD1 3.6Å; F85-W90 AromaticContact CD2-CD2 4Å; F85-W90 HydrophobicContact CD2-CD2 4Å; F85-W90 AromaticContact CD2-CE2 3.8Å; F85-W90 AromaticContact CD2-CG 3.89Å; F85-W90 HydrophobicContact CD2-CG 3.89Å; F85-W90 HydrophobicContact CD2-CZ2 4.48Å; F85-W90 AromaticContact CD2-NE1 3.51Å; F85-W90 AromaticContact CE2-CD1 3.94Å; F85-W90 AromaticContact CE2-CD2 3.83Å; F85-W90 HydrophobicContact CE2-CD2 3.83Å; F85-W90 AromaticContact CE2-CE2 3.3Å; F85-W90 HydrophobicContact CE2-CE3 4.48Å; F85-W90 HydrophobicContact CE2-CG 4.2Å; F85-W90 HydrophobicContact CE2-CH2 4.29Å; F85-W90 AromaticContact CE2-CZ2 3.56Å; F85-W90 HydrophobicContact CE2-CZ2 3.56Å; F85-W90 AromaticContact CE2-NE1 3.36Å; F85-W90 HydrophobicContact CZ-CZ2 4.01Å; F85-W90 AromaticContact CZ-NE1 3.97Å; F85-W111 AromaticContact CE1-CZ3 3.88Å; F85-W111 HydrophobicContact CE1-CZ3 3.88Å; F85-W111 HydrophobicContact CE2-CZ3 4.2Å; F85-W111 HydrophobicContact CZ-CE3 4.38Å; F85-W111 HydrophobicContact CZ-CH2 4.2Å; F85-W111 AromaticContact CZ-CZ3 3.46Å; F85-W111 HydrophobicContact CZ-CZ3 3.46Å; F85-W111 VanDerWaalsContact CZ-CZ3 3.46Å; F85-L112 HydrophobicContact CE2-CD2 3.56Å; F85-L112 HydrophobicContact CZ-CD2 3.99Å; F85-I115 HydrophobicContact CE1-CD1 3.81Å; F85-I115 HydrophobicContact CZ-CD1 3.49Å; F85-I115 VanDerWaalsContact CZ-CD1 3.49Å; F85-I115 HydrophobicContact CZ-CG2 4.41Å; F85-F417 HydrophobicContact CB-CE1 4.39Å
86H85.2Confident82.4Confident40 Ų4038.7 Ų38.719%0.18518%0.18CC..Hα-helixtrans-79.2-19.3-179.8-67.7-52.7000114.7S82 I83 L84 K88 L210 N211 D212S82-H86 PolarHBondContact O-CD2 3.3Å; S82-H86 VanDerWaalsContact O-CD2 3.24Å; S82-H86 PolarHBondContact O-N 2.95Å; I83-H86 PolarHBondContact O-N 3.46Å; L84-H86 PolarHBondContact O-N 3.36Å; H86-K88 PolarHBondContact O-N 3.48Å; H86-L210 PolarHBondContact CD2-O 3.36Å; H86-L210 PolarHBondContact NE2-O 3.12Å; H86-L210 VanDerWaalsContact NE2-O 3.09Å; H86-N211 VanDerWaalsContact NE2-CA 3.34Å; H86-N211 WeakPolarHBondContact NE2-CA 3.26Å; H86-D212 WeakPolarHBondContact CB-O 3.31Å
87Q83.2Confident81Confident11 Ų1142.8 Ų42.85%0.05120%0.202CC..THydrogen-bonded Turntrans-77.33.1164.5-73.3-161.1-42.400113.8I83 L84 R89 R128 I131 I214I83-Q87 HydrophobicContact CG2-CG 4.34Å; I83-Q87 WeakPolarHBondContact O-CB 3.08Å; I83-Q87 WeakPolarHBondContact O-CG 3.01Å; I83-Q87 PolarHBondContact O-N 3.32Å; L84-Q87 CarbonylContact O-C 3.59Å; L84-Q87 PolarHBondContact O-N 3.07Å; Q87-R89 HydrophobicContact CB-CG 3.65Å; Q87-R89 PolarHBondContact O-N 2.76Å; Q87-R128 PolarHBondContact O-NH2 2.86Å; Q87-R128 VanDerWaalsContact O-NH2 3.08Å; Q87-I131 VanDerWaalsContact CD-CD1 3.5Å; Q87-I131 VanDerWaalsContact NE2-CD1 3.33Å; Q87-I214 HydrophobicContact CG-CG2 4.07Å
88K76.8Confident79.7Confident145 Ų14542.1 Ų42.163%0.6320%0.199SC*.THydrogen-bonded Turntrans55.840.5-177.4-50.3177.5-176.1177.40111.4L84 F85 H86 R128L84-K88 PolarHBondContact O-N 3.31Å; L84-K88 VanDerWaalsContact O-N 3.16Å; F85-K88 PolarHBondContact O-N 2.93Å; F85-K88 VanDerWaalsContact O-N 3.08Å; H86-K88 PolarHBondContact O-N 3.48Å; K88-R128 PolarHBondContact O-NH2 2.91Å
89R80.1Confident78.1Confident2 Ų242.9 Ų42.91%0.00821%0.205CC..  trans-102.747176.6-50.4-152-179.7-163.40.4111.1L84 Q87 L129 D155 F417 L418L84-R89 HydrophobicContact CB-CB 4.11Å; L84-R89 HydrophobicContact CD2-CB 3.99Å; L84-R89 HydrophobicContact CD2-CG 4.2Å; L84-R89 WeakPolarHBondContact O-CB 3.41Å; L84-R89 PolarHBondContact O-N 3.07Å; Q87-R89 HydrophobicContact CB-CG 3.65Å; Q87-R89 PolarHBondContact O-N 2.76Å; R89-L129 PolarHBondContact NH2-O 2.87Å; R89-D155 PolarHBondContact NH1-O 3.31Å; R89-F417 CarbonylContact O-C 3.5Å; R89-F417 WeakPolarHBondContact O-CA 3.06Å; R89-L418 WeakPolarHBondContact CB-O 3.32Å; R89-L418 WeakPolarHBondContact CD-O 3.42Å; R89-L418 PolarHBondContact O-N 3.41Å
90W77.2Confident76.5Confident5 Ų547.7 Ų47.72%0.01923%0.23CC..BIsolated β-bridgetrans-147152.4179.675.7-82.7000109F85 L112 I115 Q119 C416 F417F85-W90 AromaticContact CD2-CD1 3.6Å; F85-W90 AromaticContact CD2-CD2 4Å; F85-W90 HydrophobicContact CD2-CD2 4Å; F85-W90 AromaticContact CD2-CE2 3.8Å; F85-W90 AromaticContact CD2-CG 3.89Å; F85-W90 HydrophobicContact CD2-CG 3.89Å; F85-W90 HydrophobicContact CD2-CZ2 4.48Å; F85-W90 AromaticContact CD2-NE1 3.51Å; F85-W90 AromaticContact CE2-CD1 3.94Å; F85-W90 AromaticContact CE2-CD2 3.83Å; F85-W90 HydrophobicContact CE2-CD2 3.83Å; F85-W90 AromaticContact CE2-CE2 3.3Å; F85-W90 HydrophobicContact CE2-CE3 4.48Å; F85-W90 HydrophobicContact CE2-CG 4.2Å; F85-W90 HydrophobicContact CE2-CH2 4.29Å; F85-W90 AromaticContact CE2-CZ2 3.56Å; F85-W90 HydrophobicContact CE2-CZ2 3.56Å; F85-W90 AromaticContact CE2-NE1 3.36Å; F85-W90 HydrophobicContact CZ-CZ2 4.01Å; F85-W90 AromaticContact CZ-NE1 3.97Å; W90-L112 HydrophobicContact CE3-CD2 4.47Å; W90-L112 HydrophobicContact CH2-CB 4.45Å; W90-L112 HydrophobicContact CH2-CD2 3.49Å; W90-L112 VanDerWaalsContact CH2-CD2 3.49Å; W90-L112 HydrophobicContact CZ2-CD2 3.97Å; W90-L112 HydrophobicContact CZ3-CD2 3.77Å; W90-I115 HydrophobicContact CZ2-CB 4.06Å; W90-I115 HydrophobicContact CZ2-CG2 3.62Å; W90-Q119 PolarHBondContact O-NE2 3.09Å; W90-C416 CarbonylContact C-O 3.52Å; W90-C416 WeakPolarHBondContact CA-O 3.34Å; W90-C416 WeakPolarHBondContact CB-O 3.42Å; W90-F417 HydrophobicContact CB-CD1 3.7Å; W90-F417 HydrophobicContact CB-CE1 3.96Å; W90-F417 HydrophobicContact CB-CG 4.43Å
91Y67.9Low74.8Confident79 Ų7948.2 Ų48.231%0.3123%0.233SC..  trans-131.2152.5178.564.9-87.3000111S93 D96 C98 H415 C416 L418Y91-S93 VanDerWaalsContact CE2-CB 3.45Å; Y91-D96 PolarHBondContact OH-OD2 2.63Å; Y91-C98 WeakPolarHBondContact O-CB 3.4Å; Y91-H415 WeakPolarHBondContact CE1-O 3.17Å; Y91-H415 PolarHBondContact OH-O 3.47Å; Y91-C416 PolarHBondContact N-O 3.28Å; Y91-L418 HydrophobicContact CD1-CD1 4.11Å; Y91-L418 HydrophobicContact CD1-CD2 4.13Å; Y91-L418 HydrophobicContact CD1-CG 3.9Å; Y91-L418 HydrophobicContact CE1-CD2 3.91Å; Y91-L418 HydrophobicContact CE1-CG 4.16Å
92S63.7Low73.4Confident46 Ų4654.9 Ų54.932%0.32226%0.262SS..  trans-81.8118.5170.5172.50000109.8C99 D116S92-C99 VanDerWaalsContact CB-SG 3.53Å; S92-C99 PolarHBondContact OG-SG 3.48Å; S92-D116 WeakPolarHBondContact CB-OD1 3.22Å; S92-D116 WeakPolarHBondContact CB-OD2 3.17Å; S92-D116 PolarHBondContact OG-OD2 2.66Å
93S63.3Low71.9Confident18 Ų1857.1 Ų57.113%0.12627%0.27CS..  trans-133.6122.4171.3167.80000108.5Y91 H95 D96 D97 C98Y91-S93 VanDerWaalsContact CE2-CB 3.45Å; S93-H95 PolarHBondContact OG-N 2.95Å; S93-D96 VanDerWaalsContact CB-OD2 3.27Å; S93-D96 WeakPolarHBondContact CB-OD2 3.41Å; S93-D96 PolarHBondContact OG-N 3.41Å; S93-D96 VanDerWaalsContact OG-N 3.13Å; S93-D96 PolarHBondContact OG-OD2 2.83Å; S93-D97 PolarHBondContact O-N 3.12Å; S93-C98 PolarHBondContact O-N 3.24Å; S93-C98 VanDerWaalsContact O-N 3.11Å
94K61.1Low70.2Confident199 Ų19958.3 Ų58.387%0.86528%0.276SS*.THydrogen-bonded Turntrans-69-27.6171.5-69.3-173.1179.6-178.40111.7
95H65.5Low68.6Low188 Ų18863 Ų6387%0.8730%0.304SS*.THydrogen-bonded Turntrans-71.5-35.3179.1-68.3-61.7000111.8S93S93-H95 PolarHBondContact OG-N 2.95Å
96D65.4Low67.1Low53 Ų5369.8 Ų69.828%0.28334%0.336SS..THydrogen-bonded Turntrans-96.58.6-178.4-57.1-59.1000113.5Y91 S93 C98Y91-D96 PolarHBondContact OH-OD2 2.63Å; S93-D96 VanDerWaalsContact CB-OD2 3.27Å; S93-D96 WeakPolarHBondContact CB-OD2 3.41Å; S93-D96 PolarHBondContact OG-N 3.41Å; S93-D96 VanDerWaalsContact OG-N 3.13Å; S93-D96 PolarHBondContact OG-OD2 2.83Å; D96-C98 VanDerWaalsContact CB-SG 3.53Å; D96-C98 PolarHBondContact O-N 3.27Å
97D68.5Low65.7Low86 Ų8668.8 Ų68.846%0.4633%0.331SS..THydrogen-bonded Turntrans58.425.5179.7-152.239000114.8S93 C99 N100S93-D97 PolarHBondContact O-N 3.12Å; D97-C99 VanDerWaalsContact C-N 3.27Å; D97-C99 PolarHBondContact O-N 3.39Å; D97-N100 PolarHBondContact O-N 3.09Å; D97-N100 WeakPolarHBondContact OD1-CB 3.42Å; D97-N100 VanDerWaalsContact OD1-CG 3.31Å; D97-N100 PolarHBondContact OD1-ND2 3.01Å
98C69.4Low64Low1 Ų173.6 Ų73.61%0.00736%0.357CS..THydrogen-bonded Turntrans-66.6-22.9-169-61.70000115.5Y91 S93 D96 M412 C416Y91-C98 WeakPolarHBondContact O-CB 3.4Å; S93-C98 PolarHBondContact O-N 3.24Å; S93-C98 VanDerWaalsContact O-N 3.11Å; D96-C98 VanDerWaalsContact CB-SG 3.53Å; D96-C98 PolarHBondContact O-N 3.27Å; C98-M412 VanDerWaalsContact O-CE 3.3Å; C98-M412 WeakPolarHBondContact O-CE 3.42Å; C98-C416 WeakPolarHBondContact CA-SG 3.48Å; C98-C416 HydrophobicContact CB-CB 3.67Å; C98-C416 WeakPolarHBondContact CB-SG 3.44Å; C98-C416 WeakPolarHBondContact SG-CA 3.49Å; C98-C416 WeakPolarHBondContact SG-CB 3.27Å; C98-C416 CovalentContact SG-SG 2.02Å; C98-C416 PolarHBondContact SG-SG 2.89Å
99C62.6Low62.6Low17 Ų1769 Ų6912%0.11534%0.343CS..THydrogen-bonded Turntrans-104-3.3-177.3-63.20000113.6S92 D97S92-C99 VanDerWaalsContact CB-SG 3.53Å; S92-C99 PolarHBondContact OG-SG 3.48Å; D97-C99 VanDerWaalsContact C-N 3.27Å; D97-C99 PolarHBondContact O-N 3.39Å
100N63.6Low61Low100 Ų10070.9 Ų70.954%0.53535%0.354SS..  trans-96.4120.2-177.4-71.3-26.6000109.6D97 K102D97-N100 PolarHBondContact O-N 3.09Å; D97-N100 WeakPolarHBondContact OD1-CB 3.42Å; D97-N100 VanDerWaalsContact OD1-CG 3.31Å; D97-N100 PolarHBondContact OD1-ND2 3.01Å; N100-K102 PolarHBondContact O-N 3.32Å; N100-K102 VanDerWaalsContact O-N 3.16Å
101F62.5Low59.7Low11 Ų1171.5 Ų71.55%0.04836%0.356CS..  trans-72.6109.9172.5-62.7-62.6000109.4Y103 T105 W111 L112 N408F101-Y103 VanDerWaalsContact CB-O 3.31Å; F101-Y103 WeakPolarHBondContact CB-O 3.32Å; F101-Y103 PolarHBondContact O-N 3.32Å; F101-T105 WeakPolarHBondContact O-CG2 3.19Å; F101-W111 HydrophobicContact CD1-CZ2 4.45Å; F101-W111 HydrophobicContact CE1-CD2 4.47Å; F101-W111 AromaticContact CE1-CE2 3.37Å; F101-W111 HydrophobicContact CE1-CH2 4.27Å; F101-W111 AromaticContact CE1-CZ2 3.24Å; F101-W111 HydrophobicContact CE1-CZ2 3.24Å; F101-W111 AromaticContact CE1-NE1 3.29Å; F101-W111 VanDerWaalsContact CE1-NE1 3.29Å; F101-W111 AromaticContact CE2-CD1 3.65Å; F101-W111 HydrophobicContact CE2-CG 4.43Å; F101-W111 AromaticContact CE2-NE1 3.43Å; F101-W111 AromaticContact CZ-CD1 3.42Å; F101-W111 VanDerWaalsContact CZ-CD1 3.42Å; F101-W111 AromaticContact CZ-CD2 3.8Å; F101-W111 HydrophobicContact CZ-CD2 3.8Å; F101-W111 AromaticContact CZ-CE2 3.05Å; F101-W111 HydrophobicContact CZ-CG 4.01Å; F101-W111 HydrophobicContact CZ-CH2 4.41Å; F101-W111 AromaticContact CZ-CZ2 3.43Å; F101-W111 HydrophobicContact CZ-CZ2 3.43Å; F101-W111 VanDerWaalsContact CZ-CZ2 3.43Å; F101-W111 AromaticContact CZ-NE1 2.8Å; F101-L112 HydrophobicContact CD1-CD1 4.24Å; F101-L112 HydrophobicContact CE1-CD1 3.34Å; F101-L112 HydrophobicContact CE1-CG 3.98Å; F101-L112 HydrophobicContact CE2-CB 4.49Å; F101-L112 HydrophobicContact CE2-CD1 4.05Å; F101-L112 HydrophobicContact CE2-CG 4.37Å; F101-L112 HydrophobicContact CZ-CB 4.01Å; F101-L112 HydrophobicContact CZ-CD1 3.2Å; F101-L112 HydrophobicContact CZ-CG 3.47Å; F101-L112 VanDerWaalsContact CZ-CG 3.47Å; F101-N408 HydrophobicContact CD1-CB 3.62Å; F101-N408 WeakPolarHBondContact CD1-ND2 3.01Å; F101-N408 VanDerWaalsContact CD1-OD1 3.24Å; F101-N408 WeakPolarHBondContact CD1-OD1 3.19Å; F101-N408 HydrophobicContact CE1-CB 3.81Å; F101-N408 VanDerWaalsContact CE1-ND2 3.31Å; F101-N408 WeakPolarHBondContact CE1-ND2 3.34Å
102K63.3Low58.7Low143 Ų14367.8 Ų67.862%0.62234%0.341SS*.SBendtrans-63.1-31173.2-170.6175-177.7178.10111.8N100N100-K102 PolarHBondContact O-N 3.32Å; N100-K102 VanDerWaalsContact O-N 3.16Å
103Y62.3Low57.9Low47 Ų4769.8 Ų69.818%0.18435%0.346CS..SBendtrans-114.8148.7178.1-56.5-64.7000110F101 T105 F376 P377 N408F101-Y103 VanDerWaalsContact CB-O 3.31Å; F101-Y103 WeakPolarHBondContact CB-O 3.32Å; F101-Y103 PolarHBondContact O-N 3.32Å; Y103-T105 VanDerWaalsContact C-N 3.28Å; Y103-T105 PolarHBondContact O-N 2.98Å; Y103-F376 HydrophobicContact CD2-CE2 4.28Å; Y103-F376 AromaticContact CE2-CE2 3.69Å; Y103-F376 HydrophobicContact CE2-CE2 3.69Å; Y103-F376 AromaticContact CE2-CZ 3.52Å; Y103-F376 HydrophobicContact CE2-CZ 3.52Å; Y103-F376 AromaticContact CZ-CZ 3.89Å; Y103-P377 HydrophobicContact CD1-CB 4.2Å; Y103-P377 HydrophobicContact CE1-CB 3.44Å; Y103-P377 VanDerWaalsContact CE1-CB 3.44Å; Y103-P377 HydrophobicContact CE1-CG 4.28Å; Y103-P377 HydrophobicContact CE2-CB 4.23Å; Y103-P377 VanDerWaalsContact CZ-CB 3.44Å; Y103-P377 WeakPolarHBondContact OH-CB 3.37Å; Y103-N408 PolarHBondContact O-OD1 2.97Å
104F58.4Low57Low25 Ų2569.4 Ų69.411%0.1134%0.344CS..  trans60.333.8177.4-47.7-59.7000113.9Q106 F107 P379 F382 P383 Q404 Y407F104-Q106 PolarHBondContact O-N 3.41Å; F104-F107 HydrophobicContact CB-CB 4.19Å; F104-F107 HydrophobicContact CB-CD2 3.51Å; F104-F107 HydrophobicContact CB-CE2 4.3Å; F104-F107 HydrophobicContact CB-CG 4.28Å; F104-F107 AromaticContact CD1-CD2 3.94Å; F104-F107 HydrophobicContact CD1-CD2 3.94Å; F104-F107 AromaticContact CD1-CE2 3.89Å; F104-F107 HydrophobicContact CD1-CE2 3.89Å; F104-F107 HydrophobicContact CG-CD2 4.15Å; F104-F107 WeakPolarHBondContact O-CA 3.14Å; F104-F107 PolarHBondContact O-N 2.67Å; F104-P379 HydrophobicContact CE1-CG 3.87Å; F104-P379 HydrophobicContact CZ-CG 3.45Å; F104-P379 VanDerWaalsContact CZ-CG 3.45Å; F104-F382 HydrophobicContact CE1-CD1 4.22Å; F104-P383 HydrophobicContact CD1-CG 3.81Å; F104-P383 HydrophobicContact CD2-CG 4.11Å; F104-P383 VanDerWaalsContact CE1-CD 3.42Å; F104-P383 HydrophobicContact CE1-CG 3.93Å; F104-P383 HydrophobicContact CE2-CG 4.19Å; F104-P383 HydrophobicContact CG-CG 3.94Å; F104-P383 HydrophobicContact CZ-CG 4.14Å; F104-Q404 HydrophobicContact CD2-CG 4.5Å; F104-Y407 AromaticContact CE2-CD1 3.96Å; F104-Y407 HydrophobicContact CE2-CD1 3.96Å; F104-Y407 HydrophobicContact CE2-CG 4.09Å; F104-Y407 HydrophobicContact CZ-CD1 4.06Å
105T56.4Low56.2Low98 Ų9861.3 Ų61.360%0.60131%0.31SS*.THydrogen-bonded Turntrans-50.3-34.317949.90000113.5F101 Y103 F107F101-T105 WeakPolarHBondContact O-CG2 3.19Å; Y103-T105 VanDerWaalsContact C-N 3.28Å; Y103-T105 PolarHBondContact O-N 2.98Å; T105-F107 VanDerWaalsContact C-N 3.31Å; T105-F107 PolarHBondContact O-N 2.83Å
106Q53.7Low55.2Low151 Ų15154.5 Ų54.571%0.70628%0.28SS*.THydrogen-bonded Turntrans-72.1-18.8177.567.1-161.616.600114.2F104 N108F104-Q106 PolarHBondContact O-N 3.41Å; Q106-N108 PolarHBondContact O-N 3.21Å
107F54.3Low54.1Low19 Ų1958.3 Ų58.38%0.08329%0.29CS..SBendtrans-98.874.1-176.7-54.7-83000109.8F104 T105 P383 P385 Q404F104-F107 HydrophobicContact CB-CB 4.19Å; F104-F107 HydrophobicContact CB-CD2 3.51Å; F104-F107 HydrophobicContact CB-CE2 4.3Å; F104-F107 HydrophobicContact CB-CG 4.28Å; F104-F107 AromaticContact CD1-CD2 3.94Å; F104-F107 HydrophobicContact CD1-CD2 3.94Å; F104-F107 AromaticContact CD1-CE2 3.89Å; F104-F107 HydrophobicContact CD1-CE2 3.89Å; F104-F107 HydrophobicContact CG-CD2 4.15Å; F104-F107 WeakPolarHBondContact O-CA 3.14Å; F104-F107 PolarHBondContact O-N 2.67Å; T105-F107 VanDerWaalsContact C-N 3.31Å; T105-F107 PolarHBondContact O-N 2.83Å; F107-P383 WeakPolarHBondContact CE1-O 3.49Å; F107-P383 HydrophobicContact CG-CB 4.39Å; F107-P383 WeakPolarHBondContact CZ-O 3.26Å; F107-P385 HydrophobicContact CD1-CB 3.99Å; F107-P385 HydrophobicContact CD1-CG 3.61Å; F107-P385 HydrophobicContact CE1-CB 4.47Å; F107-P385 HydrophobicContact CE1-CG 3.61Å; F107-Q404 PolarHBondContact O-NE2 2.96Å
108N48.7Very low52.8Low112 Ų11256.1 Ų56.160%0.59928%0.28SS*.  trans48.584.9168.3-134.8-17.3000115.8Q106 N110Q106-N108 PolarHBondContact O-N 3.21Å; N108-N110 PolarHBondContact O-N 3.23Å
109S46.4Very low51.6Low48 Ų4860 Ų6034%0.33630%0.298SS..THydrogen-bonded Turntrans-62.5-1.6172.549.30000115.6
110N46.2Very low50.5Low42 Ų4264.1 Ų64.123%0.22533%0.327CS..Hα-helixtrans-85.4-11.8-174.8-75.5-8.4000114.8N108 L112 Q113 A114N108-N110 PolarHBondContact O-N 3.23Å; N110-L112 PolarHBondContact O-N 2.78Å; N110-Q113 PolarHBondContact O-N 3.41Å; N110-Q113 PolarHBondContact OD1-OE1 2.86Å; N110-A114 WeakPolarHBondContact O-CB 2.97Å; N110-A114 PolarHBondContact O-N 3.04Å
111W50.8Low49.3Very low19 Ų1967.2 Ų67.27%0.07234%0.336CS..Hα-helixtrans-68.8-36.4-175.876-96.7000112.7F85 F101 I115 M338 L405 N408F85-W111 AromaticContact CE1-CZ3 3.88Å; F85-W111 HydrophobicContact CE1-CZ3 3.88Å; F85-W111 HydrophobicContact CE2-CZ3 4.2Å; F85-W111 HydrophobicContact CZ-CE3 4.38Å; F85-W111 HydrophobicContact CZ-CH2 4.2Å; F85-W111 AromaticContact CZ-CZ3 3.46Å; F85-W111 HydrophobicContact CZ-CZ3 3.46Å; F85-W111 VanDerWaalsContact CZ-CZ3 3.46Å; F101-W111 HydrophobicContact CD1-CZ2 4.45Å; F101-W111 HydrophobicContact CE1-CD2 4.47Å; F101-W111 AromaticContact CE1-CE2 3.37Å; F101-W111 HydrophobicContact CE1-CH2 4.27Å; F101-W111 AromaticContact CE1-CZ2 3.24Å; F101-W111 HydrophobicContact CE1-CZ2 3.24Å; F101-W111 AromaticContact CE1-NE1 3.29Å; F101-W111 VanDerWaalsContact CE1-NE1 3.29Å; F101-W111 AromaticContact CE2-CD1 3.65Å; F101-W111 HydrophobicContact CE2-CG 4.43Å; F101-W111 AromaticContact CE2-NE1 3.43Å; F101-W111 AromaticContact CZ-CD1 3.42Å; F101-W111 VanDerWaalsContact CZ-CD1 3.42Å; F101-W111 AromaticContact CZ-CD2 3.8Å; F101-W111 HydrophobicContact CZ-CD2 3.8Å; F101-W111 AromaticContact CZ-CE2 3.05Å; F101-W111 HydrophobicContact CZ-CG 4.01Å; F101-W111 HydrophobicContact CZ-CH2 4.41Å; F101-W111 AromaticContact CZ-CZ2 3.43Å; F101-W111 HydrophobicContact CZ-CZ2 3.43Å; F101-W111 VanDerWaalsContact CZ-CZ2 3.43Å; F101-W111 AromaticContact CZ-NE1 2.8Å; W111-I115 HydrophobicContact CE3-CD1 3.72Å; W111-I115 HydrophobicContact CZ3-CD1 3.98Å; W111-I115 WeakPolarHBondContact O-CD1 3.49Å; W111-I115 VanDerWaalsContact O-CG1 3.29Å; W111-I115 WeakPolarHBondContact O-CG1 3.45Å; W111-I115 PolarHBondContact O-N 3.13Å; W111-M338 HydrophobicContact CB-SD 4.43Å; W111-L405 HydrophobicContact CH2-CD1 3.48Å; W111-L405 VanDerWaalsContact CH2-CD1 3.48Å; W111-L405 HydrophobicContact CZ2-CD1 3.92Å; W111-L405 HydrophobicContact CZ3-CD1 4.28Å; W111-N408 HydrophobicContact CZ2-CB 4.48Å
112L47.5Very low48.1Very low0 Ų077 Ų770%038%0.379CS..Hα-helixtrans-67.5-45.2169.4-82.1167.9000111.4F85 W90 F101 N110 A114 I115 D116 M412F85-L112 HydrophobicContact CE2-CD2 3.56Å; F85-L112 HydrophobicContact CZ-CD2 3.99Å; W90-L112 HydrophobicContact CE3-CD2 4.47Å; W90-L112 HydrophobicContact CH2-CB 4.45Å; W90-L112 HydrophobicContact CH2-CD2 3.49Å; W90-L112 VanDerWaalsContact CH2-CD2 3.49Å; W90-L112 HydrophobicContact CZ2-CD2 3.97Å; W90-L112 HydrophobicContact CZ3-CD2 3.77Å; F101-L112 HydrophobicContact CD1-CD1 4.24Å; F101-L112 HydrophobicContact CE1-CD1 3.34Å; F101-L112 HydrophobicContact CE1-CG 3.98Å; F101-L112 HydrophobicContact CE2-CB 4.49Å; F101-L112 HydrophobicContact CE2-CD1 4.05Å; F101-L112 HydrophobicContact CE2-CG 4.37Å; F101-L112 HydrophobicContact CZ-CB 4.01Å; F101-L112 HydrophobicContact CZ-CD1 3.2Å; F101-L112 HydrophobicContact CZ-CG 3.47Å; F101-L112 VanDerWaalsContact CZ-CG 3.47Å; N110-L112 PolarHBondContact O-N 2.78Å; L112-A114 PolarHBondContact O-N 3.28Å; L112-I115 PolarHBondContact O-N 2.99Å; L112-D116 PolarHBondContact O-N 2.76Å; L112-M412 HydrophobicContact CD1-CE 3.69Å; L112-M412 HydrophobicContact CD2-CE 4.16Å
113Q46.9Very low47Very low88 Ų8872.2 Ų72.241%0.41137%0.369SS..Hα-helixtrans-61.1-31-178.2-66.3-171.712.100113.7N110 D116N110-Q113 PolarHBondContact O-N 3.41Å; N110-Q113 PolarHBondContact OD1-OE1 2.86Å; Q113-D116 VanDerWaalsContact O-CB 3.29Å; Q113-D116 WeakPolarHBondContact O-CB 3.3Å
114A43.3Very low46Very low11 Ų1175 Ų759%0.09140%0.395CS..Hα-helixtrans-89.3-22.5179.900000113.1N110 L112 D116 M338N110-A114 WeakPolarHBondContact O-CB 2.97Å; N110-A114 PolarHBondContact O-N 3.04Å; L112-A114 PolarHBondContact O-N 3.28Å; A114-D116 VanDerWaalsContact C-N 3.27Å; A114-M338 HydrophobicContact CB-CE 3.06Å; A114-M338 HydrophobicContact CB-SD 3.26Å; A114-M338 WeakPolarHBondContact CB-SD 3.47Å
115I45Very low45.3Very low28 Ų2883.8 Ų83.814%0.14443%0.434CS..Hα-helixtrans-68.4-34.2164.2-64168.1000110.1F85 W90 W111 L112 R117 V118 M338F85-I115 HydrophobicContact CE1-CD1 3.81Å; F85-I115 HydrophobicContact CZ-CD1 3.49Å; F85-I115 VanDerWaalsContact CZ-CD1 3.49Å; F85-I115 HydrophobicContact CZ-CG2 4.41Å; W90-I115 HydrophobicContact CZ2-CB 4.06Å; W90-I115 HydrophobicContact CZ2-CG2 3.62Å; W111-I115 HydrophobicContact CE3-CD1 3.72Å; W111-I115 HydrophobicContact CZ3-CD1 3.98Å; W111-I115 WeakPolarHBondContact O-CD1 3.49Å; W111-I115 VanDerWaalsContact O-CG1 3.29Å; W111-I115 WeakPolarHBondContact O-CG1 3.45Å; W111-I115 PolarHBondContact O-N 3.13Å; L112-I115 PolarHBondContact O-N 2.99Å; I115-R117 VanDerWaalsContact C-N 3.3Å; I115-R117 PolarHBondContact O-N 3.37Å; I115-V118 WeakPolarHBondContact O-CB 3.36Å; I115-V118 PolarHBondContact O-N 3.41Å; I115-V118 VanDerWaalsContact O-N 3.14Å; I115-M338 HydrophobicContact CG1-SD 4.42Å
116D44.7Very low45.1Very low46 Ų4683.6 Ų83.625%0.24644%0.437CS..Hα-helixtrans-57.4-38.8177.8-136.315.2000112.9S92 L112 Q113 A114 V118 Q119S92-D116 WeakPolarHBondContact CB-OD1 3.22Å; S92-D116 WeakPolarHBondContact CB-OD2 3.17Å; S92-D116 PolarHBondContact OG-OD2 2.66Å; L112-D116 PolarHBondContact O-N 2.76Å; Q113-D116 VanDerWaalsContact O-CB 3.29Å; Q113-D116 WeakPolarHBondContact O-CB 3.3Å; A114-D116 VanDerWaalsContact C-N 3.27Å; D116-V118 PolarHBondContact O-N 3.27Å; D116-Q119 WeakPolarHBondContact O-CB 3.07Å; D116-Q119 PolarHBondContact O-N 2.97Å
117R41.4Very low45.5Very low133 Ų13383.1 Ų83.150%0.50243%0.432SS..Hα-helixtrans-66-25.1-179.6-65.4-173-150.8-157.53.6113.3I115 Q119 S120I115-R117 VanDerWaalsContact C-N 3.3Å; I115-R117 PolarHBondContact O-N 3.37Å; R117-Q119 VanDerWaalsContact C-N 3.26Å; R117-Q119 PolarHBondContact O-N 3.05Å; R117-S120 PolarHBondContact O-OG 3.41Å; R117-S120 VanDerWaalsContact O-OG 3.06Å
118V41.1Very low46.4Very low40 Ų4087.9 Ų87.924%0.24245%0.45CS..Hα-helixtrans-71.9-23.4177.4-171.50000111.2I115 D116 S120 F121 N339I115-V118 WeakPolarHBondContact O-CB 3.36Å; I115-V118 PolarHBondContact O-N 3.41Å; I115-V118 VanDerWaalsContact O-N 3.14Å; D116-V118 PolarHBondContact O-N 3.27Å; V118-S120 VanDerWaalsContact C-N 3.27Å; V118-S120 PolarHBondContact O-N 2.63Å; V118-F121 WeakPolarHBondContact O-CB 2.99Å; V118-F121 PolarHBondContact O-N 2.68Å; V118-F121 VanDerWaalsContact O-N 3.16Å; V118-N339 HydrophobicContact CB-CB 4.48Å; V118-N339 HydrophobicContact CG1-CB 4.17Å; V118-N339 HydrophobicContact CG2-CB 3.42Å; V118-N339 VanDerWaalsContact CG2-CB 3.42Å
119Q44.8Very low48.1Very low81 Ų8184.2 Ų84.238%0.37943%0.429SS..THydrogen-bonded Turntrans-74-12.1-178.5-65.5-161.9-1.700114.4W90 D116 R117 F121W90-Q119 PolarHBondContact O-NE2 3.09Å; D116-Q119 WeakPolarHBondContact O-CB 3.07Å; D116-Q119 PolarHBondContact O-N 2.97Å; R117-Q119 VanDerWaalsContact C-N 3.26Å; R117-Q119 PolarHBondContact O-N 3.05Å; Q119-F121 PolarHBondContact O-N 3.02Å; Q119-F121 VanDerWaalsContact O-N 3.15Å
120S39.4Very low50.3Low105 Ų10584.6 Ų84.673%0.73443%0.432SS*.THydrogen-bonded Turntrans-65.7-12.3168.566.90000112.9R117 V118 K122R117-S120 PolarHBondContact O-OG 3.41Å; R117-S120 VanDerWaalsContact O-OG 3.06Å; V118-S120 VanDerWaalsContact C-N 3.27Å; V118-S120 PolarHBondContact O-N 2.63Å; S120-K122 PolarHBondContact O-N 3.33Å; S120-K122 VanDerWaalsContact O-N 3.13Å
121F38Very low52.6Low165 Ų16582.6 Ų82.672%0.72442%0.421SS*.  trans-82.195.2179-135.6-104.4000110.6V118 Q119 G123V118-F121 WeakPolarHBondContact O-CB 2.99Å; V118-F121 PolarHBondContact O-N 2.68Å; V118-F121 VanDerWaalsContact O-N 3.16Å; Q119-F121 PolarHBondContact O-N 3.02Å; Q119-F121 VanDerWaalsContact O-N 3.15Å; F121-G123 PolarHBondContact O-N 2.95Å
122K38.2Very low54.9Low217 Ų21782.3 Ų82.394%0.94342%0.422SS*.  trans-5818.3160.3-75.5180173.7175.60113.7S120 S124S120-K122 PolarHBondContact O-N 3.33Å; S120-K122 VanDerWaalsContact O-N 3.13Å; K122-S124 PolarHBondContact O-N 3.04Å
123G39.2Very low57.3Low41 Ų4182.4 Ų82.442%0.42342%0.422SS..  trans-85.7115.5-173.100000111.4F121F121-G123 PolarHBondContact O-N 2.95Å
124S42.3Very low59.8Low105 Ų10578.3 Ų78.373%0.73440%0.403SS*.  trans65.197.5175.7-161.90000113.8K122 S126K122-S124 PolarHBondContact O-N 3.04Å; S124-S126 PolarHBondContact O-N 3.29Å
125K43.6Very low62.4Low211 Ų21177.8 Ų77.892%0.91740%0.399SS*.  trans-60.471.2149-72.5-179.6177.3-179.60107.6K127K125-K127 PolarHBondContact O-N 3.35Å; K125-K127 VanDerWaalsContact O-N 3.16Å
126S52.4Low64.9Low94 Ų9476.7 Ų76.766%0.65739%0.393SS*.  trans-53.1125.8160.4-172.50000105.2S124 R128S124-S126 PolarHBondContact O-N 3.29Å; S126-R128 VanDerWaalsContact C-N 3.33Å; S126-R128 PolarHBondContact O-N 2.91Å
127K61.5Low67.3Low140 Ų14074.5 Ų74.561%0.60938%0.381SS*.  trans-58.598.9-174.1-177.1-179.9173.2-170.40107.6D58 K125 L129D58-K127 VanDerWaalsContact CG-NZ 3.34Å; D58-K127 IonicContact OD1-NZ 3.76Å; D58-K127 WeakPolarHBondContact OD2-CE 3.48Å; D58-K127 IonicContact OD2-NZ 2.63Å; D58-K127 PolarHBondContact OD2-NZ 3.2Å; K125-K127 PolarHBondContact O-N 3.35Å; K125-K127 VanDerWaalsContact O-N 3.16Å; K127-L129 PolarHBondContact O-N 2.86Å
128R72.5Confident69.7Low120 Ų12069.9 Ų69.945%0.45337%0.367SS..PPolyproline II helixtrans-64.3116.8-178.3175.2179-88.6-177.73.4107.6Q87 K88 S126Q87-R128 PolarHBondContact O-NH2 2.86Å; Q87-R128 VanDerWaalsContact O-NH2 3.08Å; K88-R128 PolarHBondContact O-NH2 2.91Å; S126-R128 VanDerWaalsContact C-N 3.33Å; S126-R128 PolarHBondContact O-N 2.91Å
129L84.6Confident72.2Confident34 Ų3471.1 Ų71.118%0.17837%0.37CS..PPolyproline II helixtrans-76.3142.3178.5-57.5-177.7000109.9D58 I60 R89 K127D58-L129 HydrophobicContact CB-CD2 3.79Å; D58-L129 WeakPolarHBondContact O-CB 3.11Å; D58-L129 WeakPolarHBondContact O-CD2 3.38Å; I60-L129 HydrophobicContact CD1-CB 4.07Å; I60-L129 HydrophobicContact CD1-CD1 4.01Å; I60-L129 HydrophobicContact CG1-CB 3.99Å; I60-L129 HydrophobicContact CG1-CD1 3.88Å; R89-L129 PolarHBondContact NH2-O 2.87Å; K127-L129 PolarHBondContact O-N 2.86Å
130S92.4Very high74.5Confident56 Ų5671 Ų7139%0.39237%0.371SS..EExtended strand (participates in β ladder)trans-70.6145.4171-58.50000109.7T59 I60 G156T59-S130 WeakPolarHBondContact CA-O 3.46Å; I60-S130 PolarHBondContact N-O 2.94Å; S130-G156 CarbonylContact C-O 3.51Å; S130-G156 VanDerWaalsContact CA-O 3.22Å; S130-G156 WeakPolarHBondContact CA-O 3.4Å; S130-G156 WeakPolarHBondContact CB-O 3.39Å
131I95.6Very high77.2Confident0 Ų066.1 Ų66.10%034%0.338CS..EExtended strand (participates in β ladder)trans-111.6137.6175.4-62.5164.8000109.7I60 I62 I83 Q87 F133 G156 I157 S158 I214I60-I131 HydrophobicContact CB-CG1 4.13Å; I60-I131 CarbonylContact O-C 3.55Å; I60-I131 WeakPolarHBondContact O-CA 3.17Å; I62-I131 HydrophobicContact CD1-CG2 3.85Å; I62-I131 HydrophobicContact CG1-CG2 4.18Å; I83-I131 HydrophobicContact CG2-CD1 4.01Å; Q87-I131 VanDerWaalsContact CD-CD1 3.5Å; Q87-I131 VanDerWaalsContact NE2-CD1 3.33Å; I131-F133 HydrophobicContact CG2-CD2 3.99Å; I131-F133 HydrophobicContact CG2-CE1 4.27Å; I131-F133 HydrophobicContact CG2-CE2 3.71Å; I131-F133 HydrophobicContact CG2-CG 4.38Å; I131-F133 HydrophobicContact CG2-CZ 3.86Å; I131-G156 PolarHBondContact N-O 2.56Å; I131-I157 HydrophobicContact CB-CG1 4.3Å; I131-I157 WeakPolarHBondContact O-CA 3.37Å; I131-S158 PolarHBondContact O-N 2.85Å; I131-I214 HydrophobicContact CD1-CG2 4.1Å
132V97.8Very high80Confident14 Ų1460.3 Ų60.39%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-114.7118.2166.4-1720000108.3T59 I60 I62 H134 S158 Q160T59-V132 HydrophobicContact CG2-CB 4.45Å; T59-V132 HydrophobicContact CG2-CG2 3.46Å; T59-V132 VanDerWaalsContact CG2-CG2 3.46Å; I60-V132 PolarHBondContact O-N 2.62Å; I62-V132 PolarHBondContact N-O 3.35Å; V132-H134 WeakPolarHBondContact CG1-NE2 3.32Å; V132-H134 PolarHBondContact O-CD2 2.94Å; V132-S158 CarbonylContact C-O 3.56Å; V132-S158 WeakPolarHBondContact CA-O 3.43Å; V132-S158 WeakPolarHBondContact CG2-OG 3.28Å; V132-Q160 HydrophobicContact CG1-CG 4.22Å
133F98.5Very high82.7Confident1 Ų153 Ų530%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-86.9130.2169.6-69.1-77.3000110.2I62 M64 I80 I83 I131 F135 I157 S158 V159 Q160I62-F133 HydrophobicContact CB-CD1 3.93Å; I62-F133 HydrophobicContact CB-CE1 4.06Å; I62-F133 HydrophobicContact CD1-CD1 4.49Å; I62-F133 HydrophobicContact CD1-CE1 3.81Å; I62-F133 HydrophobicContact CD1-CZ 4.27Å; I62-F133 HydrophobicContact CG1-CE1 4.48Å; I62-F133 HydrophobicContact CG2-CD1 4.2Å; I62-F133 HydrophobicContact CG2-CE1 4.17Å; I62-F133 CarbonylContact O-C 3.6Å; I62-F133 WeakPolarHBondContact O-CA 3.39Å; M64-F133 HydrophobicContact CE-CD1 4.05Å; M64-F133 HydrophobicContact CE-CE1 3.8Å; I80-F133 HydrophobicContact CG1-CE1 3.99Å; I80-F133 HydrophobicContact CG1-CE2 4.32Å; I80-F133 HydrophobicContact CG1-CZ 3.86Å; I80-F133 HydrophobicContact CG2-CE2 4.37Å; I80-F133 HydrophobicContact CG2-CZ 4.3Å; I83-F133 HydrophobicContact CD1-CE1 4.01Å; I83-F133 HydrophobicContact CD1-CZ 4.13Å; I131-F133 HydrophobicContact CG2-CD2 3.99Å; I131-F133 HydrophobicContact CG2-CE1 4.27Å; I131-F133 HydrophobicContact CG2-CE2 3.71Å; I131-F133 HydrophobicContact CG2-CG 4.38Å; I131-F133 HydrophobicContact CG2-CZ 3.86Å; F133-F135 HydrophobicContact CB-CD2 4.49Å; F133-F135 HydrophobicContact CB-CE1 4.08Å; F133-F135 HydrophobicContact CB-CE2 3.83Å; F133-F135 HydrophobicContact CB-CZ 3.57Å; F133-F135 HydrophobicContact CD1-CE1 4.45Å; F133-F135 HydrophobicContact CD1-CZ 4.32Å; F133-F135 HydrophobicContact CG-CE1 4.49Å; F133-F135 AromaticContact CG-CZ 3.98Å; F133-F135 HydrophobicContact CG-CZ 3.98Å; F133-I157 HydrophobicContact CD2-CG2 3.69Å; F133-I157 HydrophobicContact CE2-CG2 3.7Å; F133-S158 PolarHBondContact N-O 3.38Å; F133-V159 HydrophobicContact CB-CG2 4.43Å; F133-V159 CarbonylContact O-C 3.49Å; F133-V159 WeakPolarHBondContact O-CA 3.19Å; F133-Q160 PolarHBondContact O-N 2.93Å
134H98.7Very high85.5Confident3 Ų354 Ų541%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-111.698.5176.3-63.3-85.8000108.6H61 I62 A63 M64 V132 Q160 Y162 L194 I198H61-H134 AromaticContact CE1-NE2 3.9Å; H61-H134 AromaticContact CG-NE2 3.79Å; H61-H134 AromaticContact ND1-CD2 3.9Å; H61-H134 AromaticContact ND1-CE1 3.83Å; H61-H134 AromaticContact ND1-NE2 2.9Å; H61-H134 PolarHBondContact ND1-NE2 3.44Å; I62-H134 PolarHBondContact O-N 3.49Å; A63-H134 VanDerWaalsContact CA-O 3.28Å; A63-H134 WeakPolarHBondContact CA-O 3.5Å; A63-H134 HydrophobicContact CB-CB 4.11Å; M64-H134 PolarHBondContact N-O 2.87Å; V132-H134 WeakPolarHBondContact CG1-NE2 3.32Å; V132-H134 PolarHBondContact O-CD2 2.94Å; H134-Q160 CarbonylContact C-O 3.53Å; H134-Q160 WeakPolarHBondContact CA-O 3.29Å; H134-Y162 HydrophobicContact CB-CD2 4.34Å; H134-Y162 HydrophobicContact CB-CE2 3.7Å; H134-Y162 AromaticContact CG-CE2 3.97Å; H134-Y162 AromaticContact ND1-CE2 3.44Å; H134-Y162 WeakPolarHBondContact ND1-CE2 3.27Å; H134-Y162 AromaticContact ND1-CZ 3.62Å; H134-Y162 PolarHBondContact ND1-OH 3.18Å; H134-L194 HydrophobicContact CB-CD2 3.73Å; H134-I198 WeakPolarHBondContact CE1-CD1 3.35Å
135F98.4Very high88Confident0 Ų049 Ų490%024%0.238CC..EExtended strand (participates in β ladder)trans-91.2118.6-179.5-61.5-55.2000110.6M64 L66 I80 F133 V137 M145 M149 V159 Q160 F161 Y162M64-F135 HydrophobicContact CB-CD1 4.1Å; M64-F135 HydrophobicContact CB-CE1 4.33Å; M64-F135 HydrophobicContact SD-CE1 3.94Å; L66-F135 HydrophobicContact CD1-CB 4.27Å; L66-F135 HydrophobicContact CD1-CD1 3.63Å; L66-F135 HydrophobicContact CD1-CE1 4.22Å; L66-F135 HydrophobicContact CD1-CG 4.06Å; L66-F135 HydrophobicContact CG-CD1 4.23Å; I80-F135 HydrophobicContact CD1-CE1 4.49Å; I80-F135 HydrophobicContact CD1-CZ 3.9Å; F133-F135 HydrophobicContact CB-CD2 4.49Å; F133-F135 HydrophobicContact CB-CE1 4.08Å; F133-F135 HydrophobicContact CB-CE2 3.83Å; F133-F135 HydrophobicContact CB-CZ 3.57Å; F133-F135 HydrophobicContact CD1-CE1 4.45Å; F133-F135 HydrophobicContact CD1-CZ 4.32Å; F133-F135 HydrophobicContact CG-CE1 4.49Å; F133-F135 AromaticContact CG-CZ 3.98Å; F133-F135 HydrophobicContact CG-CZ 3.98Å; F135-V137 HydrophobicContact CB-CG1 3.63Å; F135-M145 HydrophobicContact CD2-CE 4.45Å; F135-M145 HydrophobicContact CE1-CE 4.01Å; F135-M145 HydrophobicContact CE2-CE 3.76Å; F135-M145 HydrophobicContact CZ-CE 3.53Å; F135-M149 HydrophobicContact CE2-CG 4.23Å; F135-V159 HydrophobicContact CD2-CG1 3.26Å; F135-V159 HydrophobicContact CE2-CB 4.38Å; F135-V159 HydrophobicContact CE2-CG1 3.35Å; F135-V159 HydrophobicContact CE2-CG2 4.11Å; F135-V159 HydrophobicContact CG-CG1 4.49Å; F135-Q160 PolarHBondContact N-O 3.03Å; F135-F161 HydrophobicContact CB-CD1 3.83Å; F135-F161 HydrophobicContact CB-CE1 4.07Å; F135-F161 HydrophobicContact CD2-CD1 4.09Å; F135-F161 AromaticContact CD2-CE1 3.55Å; F135-F161 HydrophobicContact CD2-CE1 3.55Å; F135-F161 HydrophobicContact CD2-CZ 4.06Å; F135-F161 HydrophobicContact CE2-CE1 4.47Å; F135-F161 HydrophobicContact CG-CD1 4.45Å; F135-F161 HydrophobicContact CG-CE1 4.24Å; F135-F161 CarbonylContact O-C 3.54Å; F135-F161 WeakPolarHBondContact O-CA 3.49Å; F135-Y162 PolarHBondContact O-N 3.24Å
136I97.6Very high90.6Very high4 Ų444.6 Ų44.62%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-93.3105.4172.3-53.9170.3000106.2M64 L65 L66 Y162 I164 L186 I190 I193M64-I136 PolarHBondContact O-N 2.87Å; L65-I136 HydrophobicContact CD1-CB 4.02Å; L65-I136 HydrophobicContact CD1-CG2 3.82Å; L66-I136 PolarHBondContact N-O 3.23Å; I136-Y162 CarbonylContact C-O 3.47Å; I136-Y162 WeakPolarHBondContact CA-O 3.48Å; I136-I164 HydrophobicContact CG2-CG1 3.81Å; I136-L186 HydrophobicContact CG2-CD1 4.31Å; I136-I190 HydrophobicContact CD1-CD1 3.93Å; I136-I193 HydrophobicContact CD1-CD1 3.9Å; I136-I193 HydrophobicContact CD1-CG2 4.21Å; I136-I193 HydrophobicContact CG1-CG2 4.12Å; I136-I193 HydrophobicContact CG2-CD1 4.33Å
137V95.7Very high92.7Very high0 Ų043.6 Ų43.60%021%0.206CC..EExtended strand (participates in β ladder)trans-131.9147-158.7-74.80000112.9L66 F135 P141 Y142 F161 Y162 Q163 I164L66-V137 HydrophobicContact CB-CG1 3.75Å; L66-V137 HydrophobicContact CD1-CG1 3.95Å; L66-V137 HydrophobicContact CG-CG1 4.2Å; F135-V137 HydrophobicContact CB-CG1 3.63Å; V137-P141 HydrophobicContact CB-CB 4.22Å; V137-P141 HydrophobicContact CG1-CB 4.05Å; V137-Y142 HydrophobicContact CG2-CD2 4.35Å; V137-F161 HydrophobicContact CG1-CD1 4.39Å; V137-F161 HydrophobicContact CG2-CB 4.23Å; V137-F161 HydrophobicContact CG2-CD1 3.92Å; V137-Y162 PolarHBondContact N-O 2.95Å; V137-Q163 WeakPolarHBondContact O-CA 3.5Å; V137-I164 WeakPolarHBondContact O-CG1 3.34Å; V137-I164 PolarHBondContact O-N 3.05Å
138D92.2Very high94.3Very high36 Ų3637.3 Ų37.319%0.19318%0.179CC..  trans-79.8176.4158.2-75.4-44.3000111.2L140 P141 Y142 I164 K183D138-L140 PolarHBondContact O-N 3.42Å; D138-P141 HydrophobicContact CB-CG 4.42Å; D138-Y142 VanDerWaalsContact O-CB 3.25Å; D138-Y142 WeakPolarHBondContact O-CB 3.44Å; D138-Y142 PolarHBondContact O-N 3.11Å; D138-I164 WeakPolarHBondContact OD1-CB 3.31Å; D138-K183 IonicContact OD2-NZ 2.65Å; D138-K183 PolarHBondContact OD2-NZ 3.49Å
139Q92.8Very high95.3Very high67 Ų6732.5 Ų32.531%0.31316%0.162SC..Hα-helixtrans-59.3-46.2-176-173.661.934.400113.3Y142 E143Q139-Y142 WeakPolarHBondContact O-CB 3.35Å; Q139-Y142 PolarHBondContact O-N 3.39Å; Q139-E143 PolarHBondContact NE2-OE1 2.78Å; Q139-E143 WeakPolarHBondContact O-CG 3.13Å; Q139-E143 PolarHBondContact O-N 2.69Å
140L93.8Very high95.7Very high77 Ų7733.7 Ų33.740%0.40317%0.173SC..Hα-helixtrans-68.2-50.5-178.1179.9158.1000111.9I70 D138 Y142 E143 F144I70-L140 HydrophobicContact CG1-CD2 3.63Å; D138-L140 PolarHBondContact O-N 3.42Å; L140-Y142 PolarHBondContact O-N 3.31Å; L140-E143 PolarHBondContact O-N 2.83Å; L140-F144 PolarHBondContact O-N 3.38Å
141P95.2Very high95.7Very high4 Ų435.7 Ų35.73%0.02618%0.18CC..Hα-helixtrans-57-34.6171.4-30.337.9000114.1L66 C73 V137 D138 M145L66-P141 HydrophobicContact CB-CB 4.02Å; C73-P141 VanDerWaalsContact SG-CA 3.57Å; C73-P141 VanDerWaalsContact SG-CB 3.58Å; V137-P141 HydrophobicContact CB-CB 4.22Å; V137-P141 HydrophobicContact CG1-CB 4.05Å; D138-P141 HydrophobicContact CB-CG 4.42Å; P141-M145 VanDerWaalsContact O-CB 3.22Å; P141-M145 WeakPolarHBondContact O-CB 3.46Å; P141-M145 VanDerWaalsContact O-CG 3.26Å; P141-M145 WeakPolarHBondContact O-CG 3.47Å; P141-M145 PolarHBondContact O-N 2.94Å
142Y96.4Very high95.6Very high42 Ų4236.4 Ų36.417%0.16518%0.183CC..Hα-helixtrans-60.5-52.2173.9168.4-106.6000111.8V137 D138 Q139 L140 F144 M145 Y146 F161V137-Y142 HydrophobicContact CG2-CD2 4.35Å; D138-Y142 VanDerWaalsContact O-CB 3.25Å; D138-Y142 WeakPolarHBondContact O-CB 3.44Å; D138-Y142 PolarHBondContact O-N 3.11Å; Q139-Y142 WeakPolarHBondContact O-CB 3.35Å; Q139-Y142 PolarHBondContact O-N 3.39Å; L140-Y142 PolarHBondContact O-N 3.31Å; Y142-F144 VanDerWaalsContact C-N 3.34Å; Y142-F144 PolarHBondContact O-N 3.23Å; Y142-M145 PolarHBondContact O-N 3.37Å; Y142-Y146 HydrophobicContact CE2-CD2 4.34Å; Y142-Y146 WeakPolarHBondContact O-CB 3.42Å; Y142-Y146 PolarHBondContact O-N 3.24Å; Y142-F161 HydrophobicContact CD2-CB 3.82Å; Y142-F161 AromaticContact CD2-CD1 3.69Å; Y142-F161 HydrophobicContact CD2-CD1 3.69Å; Y142-F161 HydrophobicContact CD2-CD2 4.15Å; Y142-F161 HydrophobicContact CD2-CE1 4.24Å; Y142-F161 AromaticContact CD2-CG 3.62Å; Y142-F161 HydrophobicContact CD2-CG 3.62Å; Y142-F161 HydrophobicContact CE2-CB 3.95Å; Y142-F161 HydrophobicContact CE2-CD1 4.25Å; Y142-F161 AromaticContact CE2-CD2 3.87Å; Y142-F161 HydrophobicContact CE2-CD2 3.87Å; Y142-F161 HydrophobicContact CE2-CE2 4.42Å; Y142-F161 AromaticContact CE2-CG 3.77Å; Y142-F161 HydrophobicContact CE2-CG 3.77Å
143E96.2Very high94.9Very high64 Ų6441.3 Ų41.330%0.29921%0.213SC..Hα-helixtrans-61.1-43.8-179.2-72.4169.1-170.300111.8Q139 L140 T147Q139-E143 PolarHBondContact NE2-OE1 2.78Å; Q139-E143 WeakPolarHBondContact O-CG 3.13Å; Q139-E143 PolarHBondContact O-N 2.69Å; L140-E143 PolarHBondContact O-N 2.83Å; E143-T147 WeakPolarHBondContact O-CB 3.39Å; E143-T147 PolarHBondContact O-N 2.92Å; E143-T147 VanDerWaalsContact O-N 3.15Å; E143-T147 PolarHBondContact O-OG1 3.14Å
144F96.5Very high94.4Very high61 Ų6142 Ų4227%0.26822%0.216SC..Hα-helixtrans-61.5-56.1176.7-176.2-81.2000111.2I70 C73 L140 Y142 Y146 T147 L148I70-F144 HydrophobicContact CG2-CE2 4.24Å; C73-F144 HydrophobicContact CB-CD1 3.32Å; C73-F144 HydrophobicContact CB-CE1 3.47Å; C73-F144 VanDerWaalsContact CB-CE1 3.47Å; C73-F144 HydrophobicContact CB-CG 3.95Å; C73-F144 HydrophobicContact CB-CZ 4.22Å; L140-F144 PolarHBondContact O-N 3.38Å; Y142-F144 VanDerWaalsContact C-N 3.34Å; Y142-F144 PolarHBondContact O-N 3.23Å; F144-Y146 PolarHBondContact O-N 3.2Å; F144-T147 PolarHBondContact O-N 3.17Å; F144-L148 HydrophobicContact CD1-CD1 4.25Å; F144-L148 HydrophobicContact CE1-CB 4.48Å; F144-L148 HydrophobicContact CE1-CD1 3.49Å; F144-L148 VanDerWaalsContact CE1-CD1 3.49Å; F144-L148 HydrophobicContact CZ-CD1 4.12Å; F144-L148 VanDerWaalsContact O-CB 3.23Å; F144-L148 WeakPolarHBondContact O-CB 3.33Å; F144-L148 PolarHBondContact O-N 3.12Å
145M96.5Very high93.8Very high0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans-69.9-33.2-174.9-69.4-57.7-6300112.4L66 C73 A76 I80 F135 P141 Y142 L148 M149 F161L66-M145 HydrophobicContact CD1-CE 4.46Å; L66-M145 HydrophobicContact CD1-CG 3.61Å; L66-M145 HydrophobicContact CD1-SD 4.24Å; C73-M145 HydrophobicContact CB-CG 4.43Å; C73-M145 HydrophobicContact CB-SD 4.03Å; A76-M145 HydrophobicContact CB-CE 4.39Å; A76-M145 HydrophobicContact CB-SD 4.5Å; I80-M145 HydrophobicContact CD1-CE 4.04Å; F135-M145 HydrophobicContact CD2-CE 4.45Å; F135-M145 HydrophobicContact CE1-CE 4.01Å; F135-M145 HydrophobicContact CE2-CE 3.76Å; F135-M145 HydrophobicContact CZ-CE 3.53Å; P141-M145 VanDerWaalsContact O-CB 3.22Å; P141-M145 WeakPolarHBondContact O-CB 3.46Å; P141-M145 VanDerWaalsContact O-CG 3.26Å; P141-M145 WeakPolarHBondContact O-CG 3.47Å; P141-M145 PolarHBondContact O-N 2.94Å; Y142-M145 PolarHBondContact O-N 3.37Å; M145-L148 HydrophobicContact CE-CD2 4.37Å; M145-M149 HydrophobicContact CE-CG 4.24Å; M145-M149 HydrophobicContact CE-SD 4.34Å; M145-M149 VanDerWaalsContact O-CB 3.27Å; M145-M149 WeakPolarHBondContact O-CB 3.23Å; M145-M149 WeakPolarHBondContact O-CG 3.2Å; M145-M149 PolarHBondContact O-N 2.99Å; M145-F161 HydrophobicContact CB-CE1 3.73Å; M145-F161 HydrophobicContact CB-CZ 4.18Å
146Y96.5Very high93.4Very high120 Ų12048.9 Ų48.947%0.47126%0.26SS..Hα-helixtrans-61.9-50.5174.6178.5-93.6000110.9Y142 F144 S150 F161Y142-Y146 HydrophobicContact CE2-CD2 4.34Å; Y142-Y146 WeakPolarHBondContact O-CB 3.42Å; Y142-Y146 PolarHBondContact O-N 3.24Å; F144-Y146 PolarHBondContact O-N 3.2Å; Y146-S150 WeakPolarHBondContact O-CB 3.46Å; Y146-S150 PolarHBondContact O-N 3.11Å; Y146-S150 PolarHBondContact O-OG 2.78Å; Y146-F161 AromaticContact CD2-CE2 4Å; Y146-F161 HydrophobicContact CD2-CE2 4Å
147T96.5Very high93.2Very high72 Ų7249.7 Ų49.744%0.44226%0.264SS..Hα-helixtrans-61.9-49.6177.3-52.60000110.1E143 F144 M149 S150 D151E143-T147 WeakPolarHBondContact O-CB 3.39Å; E143-T147 PolarHBondContact O-N 2.92Å; E143-T147 VanDerWaalsContact O-N 3.15Å; E143-T147 PolarHBondContact O-OG1 3.14Å; F144-T147 PolarHBondContact O-N 3.17Å; T147-M149 PolarHBondContact O-N 2.8Å; T147-S150 PolarHBondContact O-N 3.16Å; T147-D151 WeakPolarHBondContact O-CB 3.12Å; T147-D151 VanDerWaalsContact O-CG 3.23Å; T147-D151 PolarHBondContact O-N 3.39Å
148L95.1Very high93.2Very high8 Ų851.1 Ų51.14%0.04227%0.274CS..Hα-helixtrans-55.1-50.1-179.4-179.2150.8000112.4E77 F144 M145 W152 R414E77-L148 HydrophobicContact CB-CD1 3.94Å; E77-L148 HydrophobicContact CG-CD1 3.82Å; F144-L148 HydrophobicContact CD1-CD1 4.25Å; F144-L148 HydrophobicContact CE1-CB 4.48Å; F144-L148 HydrophobicContact CE1-CD1 3.49Å; F144-L148 VanDerWaalsContact CE1-CD1 3.49Å; F144-L148 HydrophobicContact CZ-CD1 4.12Å; F144-L148 VanDerWaalsContact O-CB 3.23Å; F144-L148 WeakPolarHBondContact O-CB 3.33Å; F144-L148 PolarHBondContact O-N 3.12Å; M145-L148 HydrophobicContact CE-CD2 4.37Å; L148-W152 HydrophobicContact CD2-CE3 3.76Å; L148-W152 HydrophobicContact CD2-CZ3 4.16Å; L148-W152 WeakPolarHBondContact O-CB 3.5Å; L148-W152 PolarHBondContact O-N 3.36Å; L148-W152 VanDerWaalsContact O-N 3.12Å; L148-R414 PolarHBondContact O-NH1 2.92Å
149M94.7Very high93.4Very high20 Ų2050.6 Ų50.610%0.09927%0.272CS..Hα-helixtrans-76.6-30.7-175.8-63.6-61.5-54.200112.3I80 F135 M145 T147 W152 T153 L154 I157 V159I80-M149 HydrophobicContact CD1-SD 4.06Å; F135-M149 HydrophobicContact CE2-CG 4.23Å; M145-M149 HydrophobicContact CE-CG 4.24Å; M145-M149 HydrophobicContact CE-SD 4.34Å; M145-M149 VanDerWaalsContact O-CB 3.27Å; M145-M149 WeakPolarHBondContact O-CB 3.23Å; M145-M149 WeakPolarHBondContact O-CG 3.2Å; M145-M149 PolarHBondContact O-N 2.99Å; T147-M149 PolarHBondContact O-N 2.8Å; M149-W152 HydrophobicContact SD-CE3 4.23Å; M149-T153 PolarHBondContact O-N 3.35Å; M149-L154 HydrophobicContact CE-CD1 4.03Å; M149-I157 HydrophobicContact CE-CG2 4.15Å; M149-V159 HydrophobicContact CB-CG2 3.96Å; M149-V159 HydrophobicContact CE-CG2 3.59Å; M149-V159 HydrophobicContact CG-CG2 3.9Å; M149-V159 HydrophobicContact SD-CG2 4.45Å
150S93.3Very high93.7Very high58 Ų5849.2 Ų49.241%0.40627%0.265SS..Hα-helixtrans-68.1-42.1174.6-59.30000111.4Y146 T147 T153Y146-S150 WeakPolarHBondContact O-CB 3.46Å; Y146-S150 PolarHBondContact O-N 3.11Å; Y146-S150 PolarHBondContact O-OG 2.78Å; T147-S150 PolarHBondContact O-N 3.16Å; S150-T153 VanDerWaalsContact O-CG2 3.24Å; S150-T153 WeakPolarHBondContact O-CG2 3.42Å
151D92.2Very high93.9Very high98 Ų9847.1 Ų47.152%0.52425%0.253SS..Hα-helixtrans-70.7-32.5178.3-68.9-12.4000112.5T147T147-D151 WeakPolarHBondContact O-CB 3.12Å; T147-D151 VanDerWaalsContact O-CG 3.23Å; T147-D151 PolarHBondContact O-N 3.39Å
152W92.1Very high94Very high16 Ų1648.1 Ų48.16%0.06126%0.256CS..Hα-helixtrans-73.7-32.2-175-158.2-8.4000112.6E77 I80 K81 L84 L148 M149 L154 R414 F417E77-W152 HydrophobicContact CG-CZ3 4.28Å; I80-W152 HydrophobicContact CB-CZ3 4.36Å; I80-W152 HydrophobicContact CG2-CH2 3.83Å; I80-W152 HydrophobicContact CG2-CZ3 3.71Å; K81-W152 HydrophobicContact CG-CH2 3.57Å; K81-W152 HydrophobicContact CG-CZ2 4.05Å; L84-W152 HydrophobicContact CD1-CH2 3.59Å; L84-W152 HydrophobicContact CD1-CZ2 3.45Å; L84-W152 VanDerWaalsContact CD1-CZ2 3.45Å; L84-W152 HydrophobicContact CD1-CZ3 4.48Å; L148-W152 HydrophobicContact CD2-CE3 3.76Å; L148-W152 HydrophobicContact CD2-CZ3 4.16Å; L148-W152 WeakPolarHBondContact O-CB 3.5Å; L148-W152 PolarHBondContact O-N 3.36Å; L148-W152 VanDerWaalsContact O-N 3.12Å; M149-W152 HydrophobicContact SD-CE3 4.23Å; W152-L154 VanDerWaalsContact C-N 3.35Å; W152-L154 HydrophobicContact CB-CG 4.33Å; W152-L154 HydrophobicContact CD2-CD1 3.67Å; W152-L154 HydrophobicContact CD2-CD2 4.09Å; W152-L154 HydrophobicContact CD2-CG 3.87Å; W152-L154 HydrophobicContact CE3-CD1 3.81Å; W152-L154 HydrophobicContact CE3-CG 4.48Å; W152-L154 HydrophobicContact CG-CD1 4.07Å; W152-L154 HydrophobicContact CG-CD2 4.08Å; W152-L154 HydrophobicContact CG-CG 3.76Å; W152-L154 HydrophobicContact CH2-CD1 4.42Å; W152-L154 HydrophobicContact CZ2-CD1 4.34Å; W152-L154 HydrophobicContact CZ2-CD2 4.31Å; W152-L154 HydrophobicContact CZ3-CD1 4.19Å; W152-L154 PolarHBondContact O-N 2.97Å; W152-R414 HydrophobicContact CD2-CB 4.09Å; W152-R414 HydrophobicContact CD2-CG 4.02Å; W152-R414 HydrophobicContact CE3-CG 4.32Å; W152-R414 HydrophobicContact CG-CB 4.14Å; W152-R414 HydrophobicContact CG-CG 4.45Å; W152-R414 HydrophobicContact CZ2-CB 4.38Å; W152-R414 HydrophobicContact CZ2-CG 4.25Å; W152-R414 PolarHBondContact NE1-O 3.15Å; W152-F417 HydrophobicContact CZ2-CB 3.71Å; W152-F417 AromaticContact CZ2-CD2 3.82Å; W152-F417 HydrophobicContact CZ2-CD2 3.82Å; W152-F417 AromaticContact CZ2-CG 3.87Å; W152-F417 HydrophobicContact CZ2-CG 3.87Å
153T84Confident94Very high117 Ų11747.5 Ų47.572%0.71826%0.255SS*.  trans54.841.617460.70000115.2M149 S150 D155M149-T153 PolarHBondContact O-N 3.35Å; S150-T153 VanDerWaalsContact O-CG2 3.24Å; S150-T153 WeakPolarHBondContact O-CG2 3.42Å; T153-D155 PolarHBondContact O-N 2.97Å
154L88.9Confident93.9Very high15 Ų1544.5 Ų44.58%0.07924%0.241CC..  trans-66.5128.5-177.5-67.7167.9000112.9I80 L84 M149 W152 I157 F417 L418I80-L154 HydrophobicContact CG2-CD1 4.49Å; L84-L154 HydrophobicContact CD1-CD1 3.81Å; L84-L154 HydrophobicContact CD1-CD2 3.85Å; L84-L154 HydrophobicContact CD2-CD1 4.44Å; L84-L154 HydrophobicContact CD2-CD2 4.43Å; M149-L154 HydrophobicContact CE-CD1 4.03Å; W152-L154 VanDerWaalsContact C-N 3.35Å; W152-L154 HydrophobicContact CB-CG 4.33Å; W152-L154 HydrophobicContact CD2-CD1 3.67Å; W152-L154 HydrophobicContact CD2-CD2 4.09Å; W152-L154 HydrophobicContact CD2-CG 3.87Å; W152-L154 HydrophobicContact CE3-CD1 3.81Å; W152-L154 HydrophobicContact CE3-CG 4.48Å; W152-L154 HydrophobicContact CG-CD1 4.07Å; W152-L154 HydrophobicContact CG-CD2 4.08Å; W152-L154 HydrophobicContact CG-CG 3.76Å; W152-L154 HydrophobicContact CH2-CD1 4.42Å; W152-L154 HydrophobicContact CZ2-CD1 4.34Å; W152-L154 HydrophobicContact CZ2-CD2 4.31Å; W152-L154 HydrophobicContact CZ3-CD1 4.19Å; W152-L154 PolarHBondContact O-N 2.97Å; L154-I157 HydrophobicContact CB-CB 3.87Å; L154-I157 HydrophobicContact CB-CD1 4.03Å; L154-I157 HydrophobicContact CB-CG1 4.32Å; L154-I157 HydrophobicContact CB-CG2 4.42Å; L154-I157 HydrophobicContact CD1-CD1 3.98Å; L154-I157 HydrophobicContact CD1-CG2 4.43Å; L154-F417 HydrophobicContact CD2-CB 4.32Å; L154-L418 WeakPolarHBondContact CA-OXT 3.42Å; L154-L418 VanDerWaalsContact CD2-C 3.42Å
155D85.8Confident93.7Very high119 Ų11947.8 Ų47.864%0.63626%0.255SS*.THydrogen-bonded Turntrans-68.6141.9179.4177.941.7000111.4R89 T153 I157 L418R89-D155 PolarHBondContact NH1-O 3.31Å; T153-D155 PolarHBondContact O-N 2.97Å; D155-I157 PolarHBondContact O-N 2.82Å; D155-L418 PolarHBondContact N-OXT 3.26Å
156G89.8Confident93.7Very high28 Ų2852.9 Ų52.929%0.28928%0.283SS..THydrogen-bonded Turntrans58.815.8179.600000115S130 I131S130-G156 CarbonylContact C-O 3.51Å; S130-G156 VanDerWaalsContact CA-O 3.22Å; S130-G156 WeakPolarHBondContact CA-O 3.4Å; S130-G156 WeakPolarHBondContact CB-O 3.39Å; I131-G156 PolarHBondContact N-O 2.56Å
157I93.2Very high93.5Very high22 Ų2249 Ų4911%0.11327%0.267CS..EExtended strand (participates in β ladder)trans-121.1132.6175.4-65180000108.5L84 I131 F133 M149 L154 D155L84-I157 HydrophobicContact CD2-CD1 3.3Å; I131-I157 HydrophobicContact CB-CG1 4.3Å; I131-I157 WeakPolarHBondContact O-CA 3.37Å; F133-I157 HydrophobicContact CD2-CG2 3.69Å; F133-I157 HydrophobicContact CE2-CG2 3.7Å; M149-I157 HydrophobicContact CE-CG2 4.15Å; L154-I157 HydrophobicContact CB-CB 3.87Å; L154-I157 HydrophobicContact CB-CD1 4.03Å; L154-I157 HydrophobicContact CB-CG1 4.32Å; L154-I157 HydrophobicContact CB-CG2 4.42Å; L154-I157 HydrophobicContact CD1-CD1 3.98Å; L154-I157 HydrophobicContact CD1-CG2 4.43Å; D155-I157 PolarHBondContact O-N 2.82Å
158S95Very high93Very high30 Ų3048.9 Ų48.921%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-134.9163.4175.761.20000110.7I131 V132 F133I131-S158 PolarHBondContact O-N 2.85Å; V132-S158 CarbonylContact C-O 3.56Å; V132-S158 WeakPolarHBondContact CA-O 3.43Å; V132-S158 WeakPolarHBondContact CG2-OG 3.28Å; F133-S158 PolarHBondContact N-O 3.38Å
159V97.2Very high92.7Very high25 Ų2554.6 Ų54.615%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-133.5140.1-170.8-177.50000110.3F133 F135 M149 F161F133-V159 HydrophobicContact CB-CG2 4.43Å; F133-V159 CarbonylContact O-C 3.49Å; F133-V159 WeakPolarHBondContact O-CA 3.19Å; F135-V159 HydrophobicContact CD2-CG1 3.26Å; F135-V159 HydrophobicContact CE2-CB 4.38Å; F135-V159 HydrophobicContact CE2-CG1 3.35Å; F135-V159 HydrophobicContact CE2-CG2 4.11Å; F135-V159 HydrophobicContact CG-CG1 4.49Å; M149-V159 HydrophobicContact CB-CG2 3.96Å; M149-V159 HydrophobicContact CE-CG2 3.59Å; M149-V159 HydrophobicContact CG-CG2 3.9Å; M149-V159 HydrophobicContact SD-CG2 4.45Å; V159-F161 HydrophobicContact CB-CE2 4.29Å; V159-F161 HydrophobicContact CG1-CD2 4.04Å; V159-F161 HydrophobicContact CG1-CE1 4.01Å; V159-F161 HydrophobicContact CG1-CE2 3.45Å; V159-F161 VanDerWaalsContact CG1-CE2 3.45Å; V159-F161 HydrophobicContact CG1-CZ 3.43Å; V159-F161 VanDerWaalsContact CG1-CZ 3.43Å
160Q98.2Very high92.4Very high37 Ų3759.9 Ų59.917%0.17331%0.307CS..EExtended strand (participates in β ladder)trans-126.6140.7170.7-67-58.3-44.900109.9Y53 V132 F133 H134 F135 Y162Y53-Q160 VanDerWaalsContact CZ-NE2 3.25Å; Y53-Q160 PolarHBondContact OH-NE2 3.28Å; V132-Q160 HydrophobicContact CG1-CG 4.22Å; F133-Q160 PolarHBondContact O-N 2.93Å; H134-Q160 CarbonylContact C-O 3.53Å; H134-Q160 WeakPolarHBondContact CA-O 3.29Å; F135-Q160 PolarHBondContact N-O 3.03Å; Q160-Y162 HydrophobicContact CB-CE2 3.72Å
161F98.3Very high92.1Very high33 Ų3357.2 Ų57.215%0.14529%0.288CS..EExtended strand (participates in β ladder)trans-117134.1-177.8-64.4-82.7000110.9F135 V137 Y142 M145 Y146 V159F135-F161 HydrophobicContact CB-CD1 3.83Å; F135-F161 HydrophobicContact CB-CE1 4.07Å; F135-F161 HydrophobicContact CD2-CD1 4.09Å; F135-F161 AromaticContact CD2-CE1 3.55Å; F135-F161 HydrophobicContact CD2-CE1 3.55Å; F135-F161 HydrophobicContact CD2-CZ 4.06Å; F135-F161 HydrophobicContact CE2-CE1 4.47Å; F135-F161 HydrophobicContact CG-CD1 4.45Å; F135-F161 HydrophobicContact CG-CE1 4.24Å; F135-F161 CarbonylContact O-C 3.54Å; F135-F161 WeakPolarHBondContact O-CA 3.49Å; V137-F161 HydrophobicContact CG1-CD1 4.39Å; V137-F161 HydrophobicContact CG2-CB 4.23Å; V137-F161 HydrophobicContact CG2-CD1 3.92Å; Y142-F161 HydrophobicContact CD2-CB 3.82Å; Y142-F161 AromaticContact CD2-CD1 3.69Å; Y142-F161 HydrophobicContact CD2-CD1 3.69Å; Y142-F161 HydrophobicContact CD2-CD2 4.15Å; Y142-F161 HydrophobicContact CD2-CE1 4.24Å; Y142-F161 AromaticContact CD2-CG 3.62Å; Y142-F161 HydrophobicContact CD2-CG 3.62Å; Y142-F161 HydrophobicContact CE2-CB 3.95Å; Y142-F161 HydrophobicContact CE2-CD1 4.25Å; Y142-F161 AromaticContact CE2-CD2 3.87Å; Y142-F161 HydrophobicContact CE2-CD2 3.87Å; Y142-F161 HydrophobicContact CE2-CE2 4.42Å; Y142-F161 AromaticContact CE2-CG 3.77Å; Y142-F161 HydrophobicContact CE2-CG 3.77Å; M145-F161 HydrophobicContact CB-CE1 3.73Å; M145-F161 HydrophobicContact CB-CZ 4.18Å; Y146-F161 AromaticContact CD2-CE2 4Å; Y146-F161 HydrophobicContact CD2-CE2 4Å; V159-F161 HydrophobicContact CB-CE2 4.29Å; V159-F161 HydrophobicContact CG1-CD2 4.04Å; V159-F161 HydrophobicContact CG1-CE1 4.01Å; V159-F161 HydrophobicContact CG1-CE2 3.45Å; V159-F161 VanDerWaalsContact CG1-CE2 3.45Å; V159-F161 HydrophobicContact CG1-CZ 3.43Å; V159-F161 VanDerWaalsContact CG1-CZ 3.43Å
162Y98.2Very high91.6Very high25 Ų2558.1 Ų58.110%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-125.2113.6179.9-55.6-92.3000108.7H134 F135 I136 V137 Q160 I164 I193 L194 P195H134-Y162 HydrophobicContact CB-CD2 4.34Å; H134-Y162 HydrophobicContact CB-CE2 3.7Å; H134-Y162 AromaticContact CG-CE2 3.97Å; H134-Y162 AromaticContact ND1-CE2 3.44Å; H134-Y162 WeakPolarHBondContact ND1-CE2 3.27Å; H134-Y162 AromaticContact ND1-CZ 3.62Å; H134-Y162 PolarHBondContact ND1-OH 3.18Å; F135-Y162 PolarHBondContact O-N 3.24Å; I136-Y162 CarbonylContact C-O 3.47Å; I136-Y162 WeakPolarHBondContact CA-O 3.48Å; V137-Y162 PolarHBondContact N-O 2.95Å; Q160-Y162 HydrophobicContact CB-CE2 3.72Å; Y162-I164 PolarHBondContact O-N 3.05Å; Y162-I193 HydrophobicContact CD1-CG2 3.65Å; Y162-I193 WeakPolarHBondContact CD1-O 3.37Å; Y162-I193 HydrophobicContact CD2-CG2 4.28Å; Y162-I193 HydrophobicContact CE1-CG2 4.39Å; Y162-I193 VanDerWaalsContact CE1-O 3.23Å; Y162-I193 WeakPolarHBondContact CE1-O 3.46Å; Y162-I193 HydrophobicContact CG-CG2 3.58Å; Y162-L194 HydrophobicContact CD2-CD2 4.35Å; Y162-L194 HydrophobicContact CE1-CD2 4.27Å; Y162-L194 HydrophobicContact CE2-CD2 3.73Å; Y162-P195 WeakPolarHBondContact OH-CD 3.36Å
163Q96.2Very high90.8Very high30 Ų3060.5 Ų60.514%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-73.8121.6-174.3-68.8-71.7-30.400111V137 K165 N166 Y167V137-Q163 WeakPolarHBondContact O-CA 3.5Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 HydrophobicContact CB-CG 4.18Å; Q163-K165 PolarHBondContact O-N 3.43Å; Q163-N166 WeakPolarHBondContact O-CB 3.27Å; Q163-N166 PolarHBondContact O-N 3.16Å; Q163-N166 VanDerWaalsContact O-N 3.11Å; Q163-Y167 WeakPolarHBondContact O-CD2 3.18Å
164I94Very high90.5Very high1 Ų155 Ų551%0.00527%0.273CS..G310 helixtrans-54.9-41.7-177.4-74.2176.2000112.2L65 A67 I136 V137 D138 Y162 N166 Y167 E168 L186L65-I164 HydrophobicContact CD1-CD1 3.84Å; L65-I164 HydrophobicContact CD1-CG1 4.43Å; A67-I164 HydrophobicContact CB-CD1 3.95Å; I136-I164 HydrophobicContact CG2-CG1 3.81Å; V137-I164 WeakPolarHBondContact O-CG1 3.34Å; V137-I164 PolarHBondContact O-N 3.05Å; D138-I164 WeakPolarHBondContact OD1-CB 3.31Å; Y162-I164 PolarHBondContact O-N 3.05Å; I164-N166 PolarHBondContact O-N 3.44Å; I164-Y167 PolarHBondContact O-N 3.22Å; I164-E168 PolarHBondContact O-N 3.11Å; I164-L186 HydrophobicContact CB-CD1 4.26Å; I164-L186 HydrophobicContact CD1-CD1 3.86Å; I164-L186 HydrophobicContact CG1-CD1 3.69Å; I164-L186 HydrophobicContact CG2-CD1 3.75Å
165K92.8Very high89.4Confident129 Ų12961.9 Ų61.956%0.56130%0.302SS*.G310 helixtrans-52.2-24.5179.169.4-174.2178.8-173.30114.5Q163 Y167Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 HydrophobicContact CB-CG 4.18Å; Q163-K165 PolarHBondContact O-N 3.43Å; K165-Y167 PolarHBondContact O-N 2.87Å
166N95Very high88.4Confident107 Ų10757.4 Ų57.457%0.57228%0.28SS*.G310 helixtrans-75.6-14.7178.6-63.4-12.3000113Q163 I164Q163-N166 WeakPolarHBondContact O-CB 3.27Å; Q163-N166 PolarHBondContact O-N 3.16Å; Q163-N166 VanDerWaalsContact O-N 3.11Å; I164-N166 PolarHBondContact O-N 3.44Å
167Y93.1Very high86.9Confident39 Ų3959.6 Ų59.615%0.15329%0.291CS..THydrogen-bonded Turntrans-124.3-18.1-172.8-53.6-75.7000112.9Q163 I164 K165 E169 R170 I193Q163-Y167 WeakPolarHBondContact O-CD2 3.18Å; I164-Y167 PolarHBondContact O-N 3.22Å; K165-Y167 PolarHBondContact O-N 2.87Å; Y167-E169 VanDerWaalsContact C-N 3.28Å; Y167-E169 PolarHBondContact O-N 3.16Å; Y167-R170 WeakPolarHBondContact O-CB 3.48Å; Y167-R170 PolarHBondContact O-N 3.15Å; Y167-I193 HydrophobicContact CD1-CG1 3.73Å; Y167-I193 HydrophobicContact CD2-CD1 4.26Å; Y167-I193 HydrophobicContact CD2-CG1 3.96Å; Y167-I193 HydrophobicContact CE1-CB 4.31Å; Y167-I193 HydrophobicContact CE1-CG1 3.62Å; Y167-I193 HydrophobicContact CE2-CB 4.46Å; Y167-I193 HydrophobicContact CE2-CG1 3.87Å; Y167-I193 HydrophobicContact CE2-CG2 4.14Å; Y167-I193 HydrophobicContact CG-CD1 4.27Å; Y167-I193 HydrophobicContact CG-CG1 3.89Å
168E85.8Confident85.3Confident69 Ų6961.3 Ų61.332%0.32230%0.298SS..G310 helixtrans-53.4-41-176.6-171.8171.5-160.400113.2I164 R170 I171 K172 H182I164-E168 PolarHBondContact O-N 3.11Å; E168-R170 PolarHBondContact O-N 2.8Å; E168-R170 VanDerWaalsContact O-N 3.08Å; E168-I171 VanDerWaalsContact O-CG1 3.29Å; E168-I171 WeakPolarHBondContact O-CG1 3.46Å; E168-I171 PolarHBondContact O-N 2.67Å; E168-K172 PolarHBondContact O-N 3.37Å; E168-H182 IonicContact OE1-NE2 3.65Å
169E88Confident83.4Confident129 Ų12964.8 Ų64.860%0.60332%0.32SS*.G310 helixtrans-55.8-28.9177.2-79.6-70.2120.100113.8Y167 I171 K172Y167-E169 VanDerWaalsContact C-N 3.28Å; Y167-E169 PolarHBondContact O-N 3.16Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-K172 WeakPolarHBondContact O-CG 3.43Å; E169-K172 WeakPolarHBondContact OE1-CD 3.41Å; E169-K172 IonicContact OE1-NZ 3.01Å; E169-K172 PolarHBondContact OE1-NZ 2.8Å; E169-K172 VanDerWaalsContact OE2-CE 3.25Å; E169-K172 WeakPolarHBondContact OE2-CE 3.39Å; E169-K172 IonicContact OE2-NZ 2.59Å; E169-K172 PolarHBondContact OE2-NZ 3.38Å
170R88.2Confident81.5Confident131 Ų13166.5 Ų66.549%0.49433%0.331SS..G310 helixtrans-79.2-18.7179.4-60.7-177.9-178.6-141.9-7.6112.9Y167 E168 F174 L189 Q192Y167-R170 WeakPolarHBondContact O-CB 3.48Å; Y167-R170 PolarHBondContact O-N 3.15Å; E168-R170 PolarHBondContact O-N 2.8Å; E168-R170 VanDerWaalsContact O-N 3.08Å; R170-F174 WeakPolarHBondContact O-CE2 3.49Å; R170-L189 HydrophobicContact CB-CD1 4.12Å; R170-Q192 VanDerWaalsContact NH1-CD 3.26Å
171I87.3Confident80.1Confident1 Ų165.9 Ų65.91%0.00533%0.334CS..THydrogen-bonded Turntrans-116.8-9.1-176.657.9159.1000114.5E168 E169 S173 F174 H182 L186 L189E168-I171 VanDerWaalsContact O-CG1 3.29Å; E168-I171 WeakPolarHBondContact O-CG1 3.46Å; E168-I171 PolarHBondContact O-N 2.67Å; E169-I171 VanDerWaalsContact C-N 3.33Å; I171-S173 PolarHBondContact O-N 3.45Å; I171-F174 HydrophobicContact CB-CD2 4.2Å; I171-F174 HydrophobicContact CG2-CD2 4.39Å; I171-F174 WeakPolarHBondContact O-CD2 3.36Å; I171-F174 PolarHBondContact O-N 3.45Å; I171-H182 WeakPolarHBondContact CD1-O 3.4Å; I171-L186 HydrophobicContact CD1-CD1 4.43Å; I171-L186 HydrophobicContact CD1-CD2 3.52Å; I171-L186 HydrophobicContact CD1-CG 3.51Å; I171-L186 HydrophobicContact CG1-CD2 4.2Å; I171-L189 HydrophobicContact CG2-CD1 3.84Å; I171-L189 HydrophobicContact CG2-CG 4.23Å
172K82.1Confident78.8Confident117 Ų11767.1 Ų67.151%0.50934%0.34SS..THydrogen-bonded Turntrans-55.6-26.9-177.471.1-179.8176.9179.50114.5E168 E169 F174E168-K172 PolarHBondContact O-N 3.37Å; E169-K172 WeakPolarHBondContact O-CG 3.43Å; E169-K172 WeakPolarHBondContact OE1-CD 3.41Å; E169-K172 IonicContact OE1-NZ 3.01Å; E169-K172 PolarHBondContact OE1-NZ 2.8Å; E169-K172 VanDerWaalsContact OE2-CE 3.25Å; E169-K172 WeakPolarHBondContact OE2-CE 3.39Å; E169-K172 IonicContact OE2-NZ 2.59Å; E169-K172 PolarHBondContact OE2-NZ 3.38Å; K172-F174 VanDerWaalsContact C-N 3.35Å
173S76.7Confident78.1Confident66 Ų6668.2 Ų68.246%0.46235%0.346SS..THydrogen-bonded Turntrans-75.2-22.2178.853.70000113.3I171 K175I171-S173 PolarHBondContact O-N 3.45Å; S173-K175 PolarHBondContact O-N 2.89Å
174F76Confident77.5Confident2 Ų267.4 Ų67.41%0.00934%0.342CS..  trans-85.7104.4-177.4-54.5-81.9000109.7R170 I171 K172 H182 Y185 W277 M278 A281 F282 I285R170-F174 WeakPolarHBondContact O-CE2 3.49Å; I171-F174 HydrophobicContact CB-CD2 4.2Å; I171-F174 HydrophobicContact CG2-CD2 4.39Å; I171-F174 WeakPolarHBondContact O-CD2 3.36Å; I171-F174 PolarHBondContact O-N 3.45Å; K172-F174 VanDerWaalsContact C-N 3.35Å; F174-H182 VanDerWaalsContact O-CB 3.25Å; F174-H182 WeakPolarHBondContact O-CB 3.41Å; F174-Y185 HydrophobicContact CB-CD1 4.5Å; F174-Y185 HydrophobicContact CB-CD2 3.6Å; F174-Y185 HydrophobicContact CB-CE1 4.33Å; F174-Y185 HydrophobicContact CB-CE2 3.4Å; F174-Y185 HydrophobicContact CB-CG 4.17Å; F174-Y185 WeakPolarHBondContact O-CE2 3.45Å; F174-W277 HydrophobicContact CE2-CH2 4Å; F174-W277 AromaticContact CE2-CZ3 3.94Å; F174-W277 HydrophobicContact CE2-CZ3 3.94Å; F174-W277 HydrophobicContact CZ-CH2 4.23Å; F174-W277 AromaticContact CZ-CZ3 3.9Å; F174-W277 HydrophobicContact CZ-CZ3 3.9Å; F174-M278 HydrophobicContact CZ-CG 4.26Å; F174-A281 HydrophobicContact CD1-CB 3.86Å; F174-A281 HydrophobicContact CE1-CB 3.49Å; F174-A281 VanDerWaalsContact CE1-CB 3.49Å; F174-A281 HydrophobicContact CZ-CB 4.26Å; F174-F282 AromaticContact CE1-CD1 3.96Å; F174-F282 HydrophobicContact CE1-CD1 3.96Å; F174-F282 HydrophobicContact CE1-CD2 4.14Å; F174-F282 AromaticContact CE1-CE1 3.91Å; F174-F282 HydrophobicContact CE1-CE1 3.91Å; F174-F282 HydrophobicContact CE1-CE2 4.1Å; F174-F282 HydrophobicContact CE1-CG 4.06Å; F174-F282 AromaticContact CE1-CZ 3.97Å; F174-F282 HydrophobicContact CE1-CZ 3.97Å; F174-F282 HydrophobicContact CE2-CZ 4.47Å; F174-F282 HydrophobicContact CZ-CD1 4.44Å; F174-F282 HydrophobicContact CZ-CD2 4.11Å; F174-F282 HydrophobicContact CZ-CE1 4.04Å; F174-F282 AromaticContact CZ-CE2 3.68Å; F174-F282 HydrophobicContact CZ-CE2 3.68Å; F174-F282 HydrophobicContact CZ-CG 4.46Å; F174-F282 AromaticContact CZ-CZ 3.63Å; F174-F282 HydrophobicContact CZ-CZ 3.63Å; F174-I285 HydrophobicContact CB-CD1 3.81Å; F174-I285 HydrophobicContact CD1-CD1 3.51Å; F174-I285 HydrophobicContact CG-CD1 4.11Å
175K66.8Low77.4Confident160 Ų16067.3 Ų67.370%0.69634%0.342SS*.  trans-71.5143.6169.4-64.2-176-179.5-179.20109.6S173 Y185S173-K175 PolarHBondContact O-N 2.89Å; K175-Y185 PolarHBondContact O-OH 3.06Å; K175-Y185 VanDerWaalsContact O-OH 3.05Å
176S64.7Low77.5Confident24 Ų2461.2 Ų61.217%0.16832%0.315CS..BIsolated β-bridgetrans-138.4147.4171-177.50000109.5H178 L291S176-H178 VanDerWaalsContact C-N 3.28Å; S176-H178 WeakPolarHBondContact OG-CB 3.33Å; S176-H178 PolarHBondContact OG-N 3.45Å; S176-L291 PolarHBondContact OG-O 2.81Å
177S57.8Low77.5Confident74 Ų7456.6 Ų56.652%0.51729%0.29SS..  trans-87.31.9167.654.70000112.9I290 P292S177-I290 WeakPolarHBondContact OG-CG2 3.48Å; S177-P292 WeakPolarHBondContact OG-CA 3.42Å
178H59.9Low77.7Confident58 Ų5854.7 Ų54.727%0.26928%0.283SS..SBendtrans-65.4143.5178.6-168.6-88.3000110.6S176 T180 G181 N184S176-H178 VanDerWaalsContact C-N 3.28Å; S176-H178 WeakPolarHBondContact OG-CB 3.33Å; S176-H178 PolarHBondContact OG-N 3.45Å; H178-T180 PolarHBondContact CE1-OG1 2.94Å; H178-T180 PolarHBondContact ND1-N 2.79Å; H178-T180 PolarHBondContact ND1-OG1 2.9Å; H178-T180 PolarHBondContact O-N 3.43Å; H178-T180 VanDerWaalsContact O-N 3.14Å; H178-G181 WeakPolarHBondContact O-CA 3.35Å; H178-G181 PolarHBondContact O-N 2.82Å; H178-N184 PolarHBondContact CE1-ND2 3.38Å; H178-N184 PolarHBondContact ND1-ND2 2.89Å; H178-N184 PolarHBondContact NE2-ND2 3.45Å
179P54.6Low78.2Confident104 Ų10451.4 Ų51.468%0.67527%0.267SS*.THydrogen-bonded Turntrans-53.8-34-177.6-30.335.7000115.4G181P179-G181 PolarHBondContact O-N 3.49Å
180T58.8Low78.7Confident60 Ų6045.5 Ų45.537%0.36824%0.24SC..THydrogen-bonded Turntrans-80.22.8175.859.70000113.8H178 N184H178-T180 PolarHBondContact CE1-OG1 2.94Å; H178-T180 PolarHBondContact ND1-N 2.79Å; H178-T180 PolarHBondContact ND1-OG1 2.9Å; H178-T180 PolarHBondContact O-N 3.43Å; H178-T180 VanDerWaalsContact O-N 3.14Å; T180-N184 PolarHBondContact OG1-OD1 2.85Å
181G67.4Low79.2Confident24 Ų2439.4 Ų39.425%0.24722%0.217CC..G310 helixtrans63.7-143.5-178.100000112.8H178 P179 K183H178-G181 WeakPolarHBondContact O-CA 3.35Å; H178-G181 PolarHBondContact O-N 2.82Å; P179-G181 PolarHBondContact O-N 3.49Å; G181-K183 PolarHBondContact O-N 2.76Å
182H71.2Confident79.7Confident59 Ų5941.9 Ų41.927%0.27323%0.229SC..G310 helixtrans-71.4-16-177.962.8-104.5000113.4E168 I171 F174 N184 Y185E168-H182 IonicContact OE1-NE2 3.65Å; I171-H182 WeakPolarHBondContact CD1-O 3.4Å; F174-H182 VanDerWaalsContact O-CB 3.25Å; F174-H182 WeakPolarHBondContact O-CB 3.41Å; H182-N184 PolarHBondContact O-N 2.77Å; H182-N184 VanDerWaalsContact O-N 3.14Å; H182-Y185 HydrophobicContact CB-CD2 4.19Å; H182-Y185 WeakPolarHBondContact O-CB 3.41Å; H182-Y185 WeakPolarHBondContact O-CD2 3.32Å; H182-Y185 PolarHBondContact O-N 3.49Å
183K83Confident80.4Confident48 Ų4836.6 Ų36.621%0.20921%0.206CC..G310 helixtrans-63.3-26.2-173.4-65.2-174-178.1-1800113.1L65 A67 D138 G181 Y185 L186L65-K183 VanDerWaalsContact CD2-O 3.29Å; L65-K183 WeakPolarHBondContact CD2-O 3.3Å; A67-K183 HydrophobicContact CB-CB 4.14Å; A67-K183 HydrophobicContact CB-CD 3.6Å; D138-K183 IonicContact OD2-NZ 2.65Å; D138-K183 PolarHBondContact OD2-NZ 3.49Å; G181-K183 PolarHBondContact O-N 2.76Å; K183-Y185 PolarHBondContact O-N 2.94Å; K183-L186 HydrophobicContact CB-CD1 4.3Å; K183-L186 WeakPolarHBondContact O-CB 3.18Å; K183-L186 WeakPolarHBondContact O-CD1 3.45Å; K183-L186 WeakPolarHBondContact O-CG 3.49Å; K183-L186 PolarHBondContact O-N 3.18Å
184N84.3Confident81.5Confident13 Ų1333.6 Ų33.67%0.0719%0.185CC..G310 helixtrans-55.5-31.7173-103.528.8000114H178 T180 H182 L186 K187 E295H178-N184 PolarHBondContact CE1-ND2 3.38Å; H178-N184 PolarHBondContact ND1-ND2 2.89Å; H178-N184 PolarHBondContact NE2-ND2 3.45Å; T180-N184 PolarHBondContact OG1-OD1 2.85Å; H182-N184 PolarHBondContact O-N 2.77Å; H182-N184 VanDerWaalsContact O-N 3.14Å; N184-L186 PolarHBondContact O-N 3.1Å; N184-L186 VanDerWaalsContact O-N 3.12Å; N184-K187 PolarHBondContact O-N 2.91Å; N184-E295 VanDerWaalsContact CB-OE2 3.23Å; N184-E295 WeakPolarHBondContact CB-OE2 3.49Å; N184-E295 PolarHBondContact ND2-OE2 2.85Å
185Y91.7Very high82.5Confident0 Ų035.6 Ų35.60%020%0.198CC..G310 helixtrans-64-15175.9-64.4-68.8000113.4F174 K175 H182 K183 K187 L188 L291 G294 E295 V298F174-Y185 HydrophobicContact CB-CD1 4.5Å; F174-Y185 HydrophobicContact CB-CD2 3.6Å; F174-Y185 HydrophobicContact CB-CE1 4.33Å; F174-Y185 HydrophobicContact CB-CE2 3.4Å; F174-Y185 HydrophobicContact CB-CG 4.17Å; F174-Y185 WeakPolarHBondContact O-CE2 3.45Å; K175-Y185 PolarHBondContact O-OH 3.06Å; K175-Y185 VanDerWaalsContact O-OH 3.05Å; H182-Y185 HydrophobicContact CB-CD2 4.19Å; H182-Y185 WeakPolarHBondContact O-CB 3.41Å; H182-Y185 WeakPolarHBondContact O-CD2 3.32Å; H182-Y185 PolarHBondContact O-N 3.49Å; K183-Y185 PolarHBondContact O-N 2.94Å; Y185-K187 PolarHBondContact O-N 2.76Å; Y185-L188 HydrophobicContact CD1-CD1 3.84Å; Y185-L188 VanDerWaalsContact O-CB 3.32Å; Y185-L188 WeakPolarHBondContact O-CB 3.21Å; Y185-L188 PolarHBondContact O-N 3.17Å; Y185-L291 HydrophobicContact CE1-CD1 4.18Å; Y185-L291 WeakPolarHBondContact OH-CD1 3.27Å; Y185-G294 VanDerWaalsContact CE1-C 3.43Å; Y185-E295 HydrophobicContact CD1-CB 4.17Å; Y185-V298 HydrophobicContact CE1-CG2 4.17Å
186L94.7Very high83.9Confident0 Ų033.7 Ų33.70%020%0.195CC..G310 helixtrans-59.5-27.8174.3-68.1168.6000112.7L65 I136 I164 I171 K183 N184 L188 L189L65-L186 HydrophobicContact CD1-CB 4.23Å; L65-L186 HydrophobicContact CD1-CD1 3.55Å; L65-L186 HydrophobicContact CD2-CB 4.41Å; I136-L186 HydrophobicContact CG2-CD1 4.31Å; I164-L186 HydrophobicContact CB-CD1 4.26Å; I164-L186 HydrophobicContact CD1-CD1 3.86Å; I164-L186 HydrophobicContact CG1-CD1 3.69Å; I164-L186 HydrophobicContact CG2-CD1 3.75Å; I171-L186 HydrophobicContact CD1-CD1 4.43Å; I171-L186 HydrophobicContact CD1-CD2 3.52Å; I171-L186 HydrophobicContact CD1-CG 3.51Å; I171-L186 HydrophobicContact CG1-CD2 4.2Å; K183-L186 HydrophobicContact CB-CD1 4.3Å; K183-L186 WeakPolarHBondContact O-CB 3.18Å; K183-L186 WeakPolarHBondContact O-CD1 3.45Å; K183-L186 WeakPolarHBondContact O-CG 3.49Å; K183-L186 PolarHBondContact O-N 3.18Å; N184-L186 PolarHBondContact O-N 3.1Å; N184-L186 VanDerWaalsContact O-N 3.12Å; L186-L188 PolarHBondContact O-N 3.49Å; L186-L189 HydrophobicContact CD2-CD1 4.16Å; L186-L189 WeakPolarHBondContact O-CB 3.05Å; L186-L189 PolarHBondContact O-N 2.97Å
187K95.7Very high85.3Confident10 Ų1038.1 Ų38.14%0.04321%0.214CC..G310 helixtrans-61-29.8173.5-64.4-174.2-170164.50112.3N184 Y185 L189 I190 V203 N205 S258 E295N184-K187 PolarHBondContact O-N 2.91Å; Y185-K187 PolarHBondContact O-N 2.76Å; K187-L189 VanDerWaalsContact C-N 3.25Å; K187-L189 PolarHBondContact O-N 3.03Å; K187-I190 VanDerWaalsContact O-CB 3.3Å; K187-I190 WeakPolarHBondContact O-CB 3.15Å; K187-I190 WeakPolarHBondContact O-CG2 3.43Å; K187-I190 PolarHBondContact O-N 2.88Å; K187-V203 HydrophobicContact CD-CG1 4.34Å; K187-V203 HydrophobicContact CG-CG1 4.4Å; K187-N205 VanDerWaalsContact CE-OD1 3.28Å; K187-N205 WeakPolarHBondContact CE-OD1 3.18Å; K187-N205 PolarHBondContact NZ-OD1 2.96Å; K187-S258 PolarHBondContact NZ-O 2.87Å; K187-S258 VanDerWaalsContact NZ-O 3.14Å; K187-E295 HydrophobicContact CB-CG 4.21Å; K187-E295 HydrophobicContact CD-CG 4.11Å; K187-E295 WeakPolarHBondContact CD-OE1 3.45Å; K187-E295 IonicContact NZ-OE1 2.84Å; K187-E295 PolarHBondContact NZ-OE1 3.21Å
188L97.2Very high87.2Confident0 Ų034.7 Ų34.70%019%0.189CC..G310 helixtrans-70.1-25.9176.4-55.2176.7000111.8Y185 L186 I190 W273 W277 E295 V298 I299Y185-L188 HydrophobicContact CD1-CD1 3.84Å; Y185-L188 VanDerWaalsContact O-CB 3.32Å; Y185-L188 WeakPolarHBondContact O-CB 3.21Å; Y185-L188 PolarHBondContact O-N 3.17Å; L186-L188 PolarHBondContact O-N 3.49Å; L188-I190 VanDerWaalsContact C-N 3.25Å; L188-I190 PolarHBondContact O-N 2.92Å; L188-W273 HydrophobicContact CD2-CH2 4.45Å; L188-W273 HydrophobicContact CD2-CZ2 3.88Å; L188-W273 PolarHBondContact O-NE1 3.4Å; L188-W277 HydrophobicContact CB-CD2 3.65Å; L188-W277 HydrophobicContact CB-CE3 3.88Å; L188-W277 HydrophobicContact CB-CG 4.04Å; L188-W277 HydrophobicContact CB-CZ2 4.43Å; L188-W277 HydrophobicContact CB-CZ3 4.34Å; L188-W277 HydrophobicContact CD1-CD2 4Å; L188-W277 HydrophobicContact CD1-CE3 3.4Å; L188-W277 VanDerWaalsContact CD1-CE3 3.4Å; L188-W277 HydrophobicContact CD1-CZ3 3.87Å; L188-W277 HydrophobicContact CG-CD2 4.37Å; L188-W277 HydrophobicContact CG-CE3 4.24Å; L188-W277 PolarHBondContact O-NE1 2.92Å; L188-E295 HydrophobicContact CD1-CB 4.08Å; L188-E295 HydrophobicContact CD2-CB 4.01Å; L188-E295 HydrophobicContact CG-CB 3.85Å; L188-V298 HydrophobicContact CD1-CB 3.95Å; L188-V298 HydrophobicContact CD1-CG1 3.95Å; L188-V298 HydrophobicContact CD1-CG2 4.12Å; L188-V298 HydrophobicContact CD2-CB 4.48Å; L188-I299 HydrophobicContact CD2-CD1 4.08Å; L188-I299 HydrophobicContact CD2-CG1 3.66Å
189L97.3Very high89Confident0 Ų037 Ų370%020%0.196CC..G310 helixtrans-82.75.3176.6-60.6-178.2000113.5R170 I171 L186 K187 T191 Q192 I193 W277R170-L189 HydrophobicContact CB-CD1 4.12Å; I171-L189 HydrophobicContact CG2-CD1 3.84Å; I171-L189 HydrophobicContact CG2-CG 4.23Å; L186-L189 HydrophobicContact CD2-CD1 4.16Å; L186-L189 WeakPolarHBondContact O-CB 3.05Å; L186-L189 PolarHBondContact O-N 2.97Å; K187-L189 VanDerWaalsContact C-N 3.25Å; K187-L189 PolarHBondContact O-N 3.03Å; L189-T191 PolarHBondContact O-N 2.89Å; L189-Q192 WeakPolarHBondContact O-CB 3.23Å; L189-Q192 PolarHBondContact O-N 2.56Å; L189-I193 HydrophobicContact CB-CD1 3.81Å; L189-I193 HydrophobicContact CB-CG1 4.07Å; L189-I193 WeakPolarHBondContact O-CG1 3.2Å; L189-I193 PolarHBondContact O-N 2.99Å; L189-W277 HydrophobicContact CD2-CH2 4.09Å; L189-W277 HydrophobicContact CD2-CZ2 3.36Å; L189-W277 HydrophobicContact CG-CZ2 4.34Å
190I98.1Very high91Very high4 Ų433.4 Ų33.42%0.02117%0.17CC..Hα-helixtrans-55.1-32.1-173.4-164.565.2000113.4A63 I136 K187 L188 Q192 L194 V201 V203 I263 L265A63-I190 HydrophobicContact CB-CD1 3.93Å; I136-I190 HydrophobicContact CD1-CD1 3.93Å; K187-I190 VanDerWaalsContact O-CB 3.3Å; K187-I190 WeakPolarHBondContact O-CB 3.15Å; K187-I190 WeakPolarHBondContact O-CG2 3.43Å; K187-I190 PolarHBondContact O-N 2.88Å; L188-I190 VanDerWaalsContact C-N 3.25Å; L188-I190 PolarHBondContact O-N 2.92Å; I190-Q192 VanDerWaalsContact C-N 3.29Å; I190-Q192 PolarHBondContact O-N 3.2Å; I190-L194 HydrophobicContact CD1-CD1 3.71Å; I190-L194 HydrophobicContact CD1-CD2 4.41Å; I190-L194 HydrophobicContact CD1-CG 3.79Å; I190-L194 HydrophobicContact CG1-CD1 3.88Å; I190-L194 HydrophobicContact CG1-CG 4.18Å; I190-L194 PolarHBondContact O-N 3.12Å; I190-L194 VanDerWaalsContact O-N 3.12Å; I190-V201 HydrophobicContact CG1-CG1 4.23Å; I190-V203 HydrophobicContact CG1-CG2 4.23Å; I190-I263 HydrophobicContact CG2-CG2 4.27Å; I190-L265 HydrophobicContact CG1-CD2 4.24Å; I190-L265 HydrophobicContact CG2-CD2 4.09Å
191T98.2Very high92.9Very high4 Ų430.6 Ų30.63%0.02515%0.152CC..Hα-helixtrans-70.9-24.3179.183.30000113.6L189 L265 L268 R269 W273 D274L189-T191 PolarHBondContact O-N 2.89Å; T191-L265 HydrophobicContact CG2-CD2 4.14Å; T191-L268 HydrophobicContact CG2-CB 3.89Å; T191-L268 HydrophobicContact CG2-CD1 4.14Å; T191-R269 PolarHBondContact O-NE 3.03Å; T191-R269 PolarHBondContact O-NH2 3.2Å; T191-R269 VanDerWaalsContact O-NH2 3.14Å; T191-W273 HydrophobicContact CG2-CB 4.5Å; T191-W273 HydrophobicContact CG2-CG 4.16Å; T191-D274 PolarHBondContact OG1-OD1 3.03Å; T191-D274 PolarHBondContact OG1-OD2 2.8Å
192Q96.9Very high94.4Very high52 Ų5229.4 Ų29.424%0.24314%0.14CC..Hα-helixtrans-93.1-33.2176.7-59178.4-3.800112.5R170 L189 I190 D274R170-Q192 VanDerWaalsContact NH1-CD 3.26Å; L189-Q192 WeakPolarHBondContact O-CB 3.23Å; L189-Q192 PolarHBondContact O-N 2.56Å; I190-Q192 VanDerWaalsContact C-N 3.29Å; I190-Q192 PolarHBondContact O-N 3.2Å; Q192-D274 WeakPolarHBondContact CG-OD2 3.49Å; Q192-D274 PolarHBondContact NE2-OD1 2.87Å; Q192-D274 PolarHBondContact NE2-OD2 3.14Å
193I98.3Very high95.8Very high6 Ų626.9 Ų26.93%0.03113%0.129CC..Hα-helixtrans-70.4-47.5-179.4-66.6171.4000109.9I136 Y162 Y167 L189I136-I193 HydrophobicContact CD1-CD1 3.9Å; I136-I193 HydrophobicContact CD1-CG2 4.21Å; I136-I193 HydrophobicContact CG1-CG2 4.12Å; I136-I193 HydrophobicContact CG2-CD1 4.33Å; Y162-I193 HydrophobicContact CD1-CG2 3.65Å; Y162-I193 WeakPolarHBondContact CD1-O 3.37Å; Y162-I193 HydrophobicContact CD2-CG2 4.28Å; Y162-I193 HydrophobicContact CE1-CG2 4.39Å; Y162-I193 VanDerWaalsContact CE1-O 3.23Å; Y162-I193 WeakPolarHBondContact CE1-O 3.46Å; Y162-I193 HydrophobicContact CG-CG2 3.58Å; Y167-I193 HydrophobicContact CD1-CG1 3.73Å; Y167-I193 HydrophobicContact CD2-CD1 4.26Å; Y167-I193 HydrophobicContact CD2-CG1 3.96Å; Y167-I193 HydrophobicContact CE1-CB 4.31Å; Y167-I193 HydrophobicContact CE1-CG1 3.62Å; Y167-I193 HydrophobicContact CE2-CB 4.46Å; Y167-I193 HydrophobicContact CE2-CG1 3.87Å; Y167-I193 HydrophobicContact CE2-CG2 4.14Å; Y167-I193 HydrophobicContact CG-CD1 4.27Å; Y167-I193 HydrophobicContact CG-CG1 3.89Å; L189-I193 HydrophobicContact CB-CD1 3.81Å; L189-I193 HydrophobicContact CB-CG1 4.07Å; L189-I193 WeakPolarHBondContact O-CG1 3.2Å; L189-I193 PolarHBondContact O-N 2.99Å
194L98.4Very high96.5Very high4 Ų424.7 Ų24.72%0.02112%0.119CC..SBendtrans-81.7144.1-177.3-61.1-173.9000111.9H134 Y162 I190 I198 V201 L265 R269H134-L194 HydrophobicContact CB-CD2 3.73Å; Y162-L194 HydrophobicContact CD2-CD2 4.35Å; Y162-L194 HydrophobicContact CE1-CD2 4.27Å; Y162-L194 HydrophobicContact CE2-CD2 3.73Å; I190-L194 HydrophobicContact CD1-CD1 3.71Å; I190-L194 HydrophobicContact CD1-CD2 4.41Å; I190-L194 HydrophobicContact CD1-CG 3.79Å; I190-L194 HydrophobicContact CG1-CD1 3.88Å; I190-L194 HydrophobicContact CG1-CG 4.18Å; I190-L194 PolarHBondContact O-N 3.12Å; I190-L194 VanDerWaalsContact O-N 3.12Å; L194-I198 HydrophobicContact CB-CD1 4.43Å; L194-V201 HydrophobicContact CD1-CB 4.02Å; L194-V201 HydrophobicContact CD1-CG1 3.92Å; L194-V201 HydrophobicContact CD1-CG2 3.83Å; L194-L265 HydrophobicContact CB-CD1 4.25Å; L194-L265 HydrophobicContact CD1-CD1 3.88Å; L194-R269 PolarHBondContact O-NH2 3.33Å
195P97.4Very high97Very high44 Ų4425.9 Ų25.929%0.28613%0.126SC..  trans-55.7154.4176.9-23.831.4000113.7Y162 E197 I198 R269Y162-P195 WeakPolarHBondContact OH-CD 3.36Å; P195-E197 WeakPolarHBondContact CB-OE2 3.44Å; P195-E197 PolarHBondContact O-N 2.8Å; P195-I198 HydrophobicContact CB-CG1 4.45Å; P195-I198 HydrophobicContact CG-CD1 4.35Å; P195-I198 PolarHBondContact O-N 3.26Å; P195-R269 PolarHBondContact O-NH2 3.16Å
196N96Very high97.1Very high119 Ų11926.3 Ų26.364%0.63613%0.129SC*.THydrogen-bonded Turntrans-67.2-25.3-176.9-79.3-31.8000113I198 R269N196-I198 PolarHBondContact O-N 2.71Å; N196-R269 PolarHBondContact O-NH1 2.89Å; N196-R269 PolarHBondContact OD1-NE 3.45Å
197E94.9Very high97Very high118 Ų11826.8 Ų26.855%0.55113%0.131SC*.THydrogen-bonded Turntrans-67-26.6178.2-58.573.3-159.500111.6F55 P195 R199F55-E197 HydrophobicContact CD2-CB 4.22Å; F55-E197 HydrophobicContact CE2-CB 4.25Å; F55-E197 HydrophobicContact CG-CB 4.38Å; F55-E197 HydrophobicContact CZ-CB 4.43Å; P195-E197 WeakPolarHBondContact CB-OE2 3.44Å; P195-E197 PolarHBondContact O-N 2.8Å; E197-R199 PolarHBondContact O-N 3.26Å
198I96.9Very high97Very high2 Ų226.3 Ų26.31%0.0113%0.129CC..  trans-80.4118.4177-49.7-175.1000109F55 H61 H134 L194 P195 N196 K200 L265 R269F55-I198 HydrophobicContact CD1-CG1 4.48Å; F55-I198 HydrophobicContact CE1-CG1 4.11Å; H61-I198 HydrophobicContact CB-CG2 4.19Å; H134-I198 WeakPolarHBondContact CE1-CD1 3.35Å; L194-I198 HydrophobicContact CB-CD1 4.43Å; P195-I198 HydrophobicContact CB-CG1 4.45Å; P195-I198 HydrophobicContact CG-CD1 4.35Å; P195-I198 PolarHBondContact O-N 3.26Å; N196-I198 PolarHBondContact O-N 2.71Å; I198-K200 WeakPolarHBondContact CG2-O 3.48Å; I198-L265 HydrophobicContact CB-CD1 4.03Å; I198-L265 HydrophobicContact CG2-CD1 3.71Å; I198-L265 WeakPolarHBondContact O-CD1 3.47Å; I198-R269 PolarHBondContact O-NH1 3.44Å
199R97.7Very high96.9Very high106 Ų10626.3 Ų26.340%0.413%0.129SC..  trans-95.7-32.2-173.6-58-171.4-64.1120.73.3114.1N57 E197 H264 L265 T266N57-R199 PolarHBondContact OD1-NH2 3.08Å; E197-R199 PolarHBondContact O-N 3.26Å; R199-H264 CarbonylContact O-C 3.23Å; R199-H264 PolarHBondContact O-ND1 2.97Å; R199-L265 PolarHBondContact O-N 3Å; R199-T266 WeakPolarHBondContact CA-OG1 3.43Å; R199-T266 WeakPolarHBondContact CB-OG1 3.26Å; R199-T266 WeakPolarHBondContact CG-OG1 3.22Å; R199-T266 PolarHBondContact O-N 2.84Å
200K98.2Very high96.8Very high29 Ų2926.3 Ų26.313%0.12613%0.129CC..  trans-138145.5-175.5-56.2-169.9-68.2176.40108.7I198 W218 F221 D222 I263I198-K200 WeakPolarHBondContact CG2-O 3.48Å; K200-W218 HydrophobicContact CB-CH2 3.8Å; K200-W218 HydrophobicContact CB-CZ2 4.15Å; K200-W218 HydrophobicContact CB-CZ3 4.43Å; K200-W218 WeakPolarHBondContact O-CH2 3.43Å; K200-F221 HydrophobicContact CB-CD1 4.36Å; K200-F221 HydrophobicContact CB-CD2 4.21Å; K200-F221 HydrophobicContact CB-CE1 4.16Å; K200-F221 HydrophobicContact CB-CE2 4.01Å; K200-F221 HydrophobicContact CB-CG 4.38Å; K200-F221 HydrophobicContact CB-CZ 3.97Å; K200-F221 HydrophobicContact CD-CB 3.67Å; K200-F221 HydrophobicContact CD-CD1 3.83Å; K200-F221 HydrophobicContact CD-CD2 4.13Å; K200-F221 HydrophobicContact CD-CE1 4.46Å; K200-F221 HydrophobicContact CD-CG 3.64Å; K200-F221 HydrophobicContact CG-CD1 4.3Å; K200-F221 HydrophobicContact CG-CE1 4.46Å; K200-F221 HydrophobicContact CG-CG 4.42Å; K200-D222 IonicContact NZ-OD1 2.74Å; K200-D222 PolarHBondContact NZ-OD1 3.32Å; K200-D222 VanDerWaalsContact NZ-OD1 3.11Å; K200-I263 CarbonylContact C-O 3.12Å; K200-I263 WeakPolarHBondContact CA-O 3.27Å
201V98.7Very high96.4Very high0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-151.8140.3176660000110.8H61 A63 I190 L194 V203 F221 I263 L265H61-V201 HydrophobicContact CB-CB 4.31Å; H61-V201 HydrophobicContact CB-CG2 4.07Å; A63-V201 HydrophobicContact CB-CG2 3.78Å; I190-V201 HydrophobicContact CG1-CG1 4.23Å; L194-V201 HydrophobicContact CD1-CB 4.02Å; L194-V201 HydrophobicContact CD1-CG1 3.92Å; L194-V201 HydrophobicContact CD1-CG2 3.83Å; V201-V203 HydrophobicContact CG1-CG2 4.28Å; V201-F221 WeakPolarHBondContact O-CZ 3.42Å; V201-I263 HydrophobicContact CG1-CB 3.92Å; V201-I263 HydrophobicContact CG1-CG2 4.48Å; V201-I263 PolarHBondContact N-O 2.92Å; V201-I263 PolarHBondContact O-N 2.78Å; V201-L265 HydrophobicContact CB-CD1 4.12Å; V201-L265 HydrophobicContact CG1-CD1 3.82Å; V201-L265 HydrophobicContact CG1-CD2 3.92Å; V201-L265 HydrophobicContact CG1-CG 3.87Å
202I98.9Very high96Very high0 Ų027.6 Ų27.60%014%0.136CC..EExtended strand (participates in β ladder)trans-90.2123.1166.3-59.5169.3000107.3I60 H61 I62 A63 L204 I214 L217 W218 F221 L261 L262I60-I202 HydrophobicContact CG2-CD1 4.39Å; H61-I202 PolarHBondContact O-N 3Å; I62-I202 CarbonylContact C-O 3.1Å; I62-I202 VanDerWaalsContact CA-O 3.27Å; I62-I202 WeakPolarHBondContact CA-O 3.4Å; A63-I202 PolarHBondContact N-O 3.16Å; I202-L204 HydrophobicContact CG2-CD1 4.39Å; I202-L204 HydrophobicContact CG2-CD2 3.71Å; I202-L204 HydrophobicContact CG2-CG 3.8Å; I202-I214 HydrophobicContact CD1-CD1 4.04Å; I202-I214 HydrophobicContact CD1-CG1 4.28Å; I202-L217 HydrophobicContact CD1-CB 4.37Å; I202-L217 HydrophobicContact CD1-CD2 3.91Å; I202-L217 HydrophobicContact CD1-CG 3.95Å; I202-L217 HydrophobicContact CG2-CD2 3.94Å; I202-W218 HydrophobicContact CD1-CB 4.27Å; I202-W218 HydrophobicContact CD1-CE3 3.74Å; I202-W218 HydrophobicContact CG1-CE3 3.79Å; I202-W218 HydrophobicContact CG1-CZ3 4.19Å; I202-F221 HydrophobicContact CG1-CE2 4.11Å; I202-L261 CarbonylContact C-O 3.58Å; I202-L261 WeakPolarHBondContact CA-O 3.36Å; I202-L262 HydrophobicContact CG1-CD1 4.16Å; I202-L262 HydrophobicContact CG1-CG 4.22Å; I202-L262 HydrophobicContact CG2-CD1 4.24Å
203V98.8Very high95.6Very high6 Ų627.1 Ų27.14%0.03614%0.135CC..EExtended strand (participates in β ladder)trans-99.6126.2170.5-168.70000107.8A63 K187 I190 V201 I260 L261 I263A63-V203 HydrophobicContact CB-CG2 4.36Å; A63-V203 WeakPolarHBondContact O-CA 3.34Å; K187-V203 HydrophobicContact CD-CG1 4.34Å; K187-V203 HydrophobicContact CG-CG1 4.4Å; I190-V203 HydrophobicContact CG1-CG2 4.23Å; V201-V203 HydrophobicContact CG1-CG2 4.28Å; V203-I260 WeakPolarHBondContact O-CA 3.27Å; V203-L261 HydrophobicContact CB-CB 4.06Å; V203-L261 HydrophobicContact CB-CD1 4.35Å; V203-L261 HydrophobicContact CG2-CB 4.36Å; V203-L261 PolarHBondContact N-O 3.27Å; V203-L261 PolarHBondContact O-N 3.13Å; V203-I263 HydrophobicContact CG2-CG1 4.1Å
204L98.3Very high95.4Very high2 Ų226.9 Ų26.91%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-121.7139.8179-62.4176000110.1I62 A63 M64 L79 I202 I208 I260 L363I62-L204 HydrophobicContact CG2-CD1 3.84Å; I62-L204 HydrophobicContact CG2-CG 4.22Å; A63-L204 PolarHBondContact O-N 3.27Å; M64-L204 HydrophobicContact CE-CD1 4.4Å; L79-L204 HydrophobicContact CD2-CB 4.23Å; L79-L204 HydrophobicContact CD2-CD1 4.25Å; I202-L204 HydrophobicContact CG2-CD1 4.39Å; I202-L204 HydrophobicContact CG2-CD2 3.71Å; I202-L204 HydrophobicContact CG2-CG 3.8Å; L204-I208 HydrophobicContact CD2-CD1 4.38Å; L204-I260 HydrophobicContact CD2-CB 4.14Å; L204-I260 HydrophobicContact CD2-CD1 3.95Å; L204-I260 HydrophobicContact CD2-CG1 3.88Å; L204-L363 HydrophobicContact CD2-CD1 4.15Å
205N94.9Very high95.2Very high37 Ų3728.2 Ų28.220%0.19814%0.143CC..  trans-68.8161.8156.2-71.20000110.6L79 K187 D207 I208 G259 H365L79-N205 VanDerWaalsContact CD2-O 3.31Å; L79-N205 WeakPolarHBondContact CD2-O 3.48Å; K187-N205 VanDerWaalsContact CE-OD1 3.28Å; K187-N205 WeakPolarHBondContact CE-OD1 3.18Å; K187-N205 PolarHBondContact NZ-OD1 2.96Å; N205-D207 WeakPolarHBondContact CB-OD1 3.4Å; N205-D207 PolarHBondContact ND2-OD1 3.27Å; N205-I208 HydrophobicContact CB-CD1 4.03Å; N205-I208 HydrophobicContact CB-CG1 4.42Å; N205-G259 PolarHBondContact N-O 2.91Å; N205-H365 PolarHBondContact ND2-NE2 2.86Å
206T93.9Very high95Very high10 Ų1029.2 Ų29.26%0.06115%0.146CC..SBendtrans-85.6-19.5-179.753.30000113.5L66 N72 Q75 A76 I208L66-T206 HydrophobicContact CD2-CG2 3.4Å; L66-T206 VanDerWaalsContact CD2-CG2 3.4Å; N72-T206 WeakPolarHBondContact ND2-CG2 3.44Å; N72-T206 PolarHBondContact ND2-OG1 3.47Å; Q75-T206 PolarHBondContact OE1-OG1 2.89Å; A76-T206 HydrophobicContact CB-CG2 4.06Å; T206-I208 PolarHBondContact O-N 3.04Å
207D92.8Very high95Very high10 Ų1023.6 Ų23.65%0.05312%0.116CC..SBendtrans-78.630.217662.3-18.2000112.4N205 H365 F366 N367 E371 Y402N205-D207 WeakPolarHBondContact CB-OD1 3.4Å; N205-D207 PolarHBondContact ND2-OD1 3.27Å; D207-H365 VanDerWaalsContact CG-CD2 3.41Å; D207-H365 IonicContact OD1-CD2 3.21Å; D207-H365 PolarHBondContact OD1-CD2 2.9Å; D207-H365 IonicContact OD1-NE2 3.49Å; D207-H365 PolarHBondContact OD1-NE2 3.24Å; D207-H365 IonicContact OD2-CD2 3.33Å; D207-H365 PolarHBondContact OD2-CD2 2.02Å; D207-H365 IonicContact OD2-NE2 3.42Å; D207-H365 PolarHBondContact OD2-NE2 3.5Å; D207-F366 PolarHBondContact O-N 2.86Å; D207-N367 WeakPolarHBondContact OD2-CA 3.37Å; D207-E371 WeakPolarHBondContact CB-OE2 3.33Å; D207-Y402 PolarHBondContact O-OH 3.44Å
208I95.7Very high95.1Very high0 Ų018.8 Ų18.80%09%0.093CC..EExtended strand (participates in β ladder)trans-118.4143.1-175.8-71.9172.6000109.7L79 L204 N205 T206 G259 L363 I364 H365L79-I208 HydrophobicContact CD1-CB 4.46Å; L79-I208 HydrophobicContact CD1-CG2 4.1Å; L79-I208 WeakPolarHBondContact CD1-O 3.18Å; L79-I208 HydrophobicContact CD2-CB 4.45Å; L204-I208 HydrophobicContact CD2-CD1 4.38Å; N205-I208 HydrophobicContact CB-CD1 4.03Å; N205-I208 HydrophobicContact CB-CG1 4.42Å; T206-I208 PolarHBondContact O-N 3.04Å; I208-G259 WeakPolarHBondContact CD1-O 3.42Å; I208-L363 HydrophobicContact CB-CD2 4.4Å; I208-L363 HydrophobicContact CD1-CD2 4.06Å; I208-L363 HydrophobicContact CG1-CD2 4.08Å; I208-L363 HydrophobicContact CG2-CD1 3.78Å; I208-L363 HydrophobicContact CG2-CD2 3.49Å; I208-L363 VanDerWaalsContact CG2-CD2 3.49Å; I208-L363 HydrophobicContact CG2-CG 3.44Å; I208-L363 VanDerWaalsContact CG2-CG 3.44Å; I208-I364 CarbonylContact C-O 3.45Å; I208-I364 WeakPolarHBondContact CA-O 3.13Å; I208-H365 HydrophobicContact CG1-CB 4.06Å
209L95.4Very high95Very high0 Ų021 Ų210%011%0.108CC..EExtended strand (participates in β ladder)trans-117133.3160.5-69.1179.7000110.1T78 L363 I364 Y402 L405 Y406 L409T78-L209 HydrophobicContact CG2-CD2 4.14Å; L209-L363 WeakPolarHBondContact O-CA 3.35Å; L209-I364 PolarHBondContact N-O 3.03Å; L209-I364 PolarHBondContact O-N 3.21Å; L209-Y402 HydrophobicContact CB-CD2 4.36Å; L209-Y402 HydrophobicContact CB-CE2 3.98Å; L209-Y402 HydrophobicContact CD1-CD2 3.75Å; L209-Y402 HydrophobicContact CD1-CE2 3.66Å; L209-Y402 HydrophobicContact CD1-CG 4.31Å; L209-Y402 HydrophobicContact CG-CD2 4.06Å; L209-Y402 HydrophobicContact CG-CE2 3.51Å; L209-L405 HydrophobicContact CD1-CB 4.11Å; L209-L405 HydrophobicContact CD1-CD2 4.03Å; L209-L405 HydrophobicContact CD1-CG 4.04Å; L209-Y406 HydrophobicContact CD1-CD2 4.34Å; L209-Y406 HydrophobicContact CD2-CD2 4.09Å; L209-Y406 HydrophobicContact CG-CD2 4.29Å; L209-L409 HydrophobicContact CD2-CD1 4.26Å
210L94.5Very high95Very high0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-81.9141.9171.2-161.468.2000109.6S82 I83 H86 D212 I214 W317 L363S82-L210 PolarHBondContact OG-N 3.49Å; S82-L210 VanDerWaalsContact OG-N 3.12Å; I83-L210 HydrophobicContact CB-CD2 4.45Å; I83-L210 HydrophobicContact CG1-CB 4.35Å; I83-L210 HydrophobicContact CG1-CD2 3.91Å; H86-L210 PolarHBondContact CD2-O 3.36Å; H86-L210 PolarHBondContact NE2-O 3.12Å; H86-L210 VanDerWaalsContact NE2-O 3.09Å; L210-D212 WeakPolarHBondContact CD2-O 3.23Å; L210-D212 WeakPolarHBondContact CG-O 3.45Å; L210-I214 HydrophobicContact CD1-CD1 4.33Å; L210-I214 HydrophobicContact CD2-CB 3.7Å; L210-I214 HydrophobicContact CD2-CD1 3.92Å; L210-I214 HydrophobicContact CD2-CG1 4.37Å; L210-W317 HydrophobicContact CD1-CZ3 4.17Å; L210-L363 HydrophobicContact CD1-CB 4.35Å; L210-L363 HydrophobicContact CD1-CD1 4.16Å; L210-L363 HydrophobicContact CD1-CG 4.48Å
211N90.1Very high95Very high3 Ų315.4 Ų15.42%0.0169%0.088CC..  trans-126.920176.1-168.163000113H86 W334 N360 A361 K362 I364H86-N211 VanDerWaalsContact NE2-CA 3.34Å; H86-N211 WeakPolarHBondContact NE2-CA 3.26Å; N211-W334 PolarHBondContact ND2-NE1 2.49Å; N211-W334 PolarHBondContact OD1-NE1 3.03Å; N211-N360 PolarHBondContact ND2-ND2 3.44Å; N211-A361 WeakPolarHBondContact CB-O 3.34Å; N211-A361 PolarHBondContact ND2-O 3.04Å; N211-K362 CarbonylContact C-O 3.47Å; N211-K362 WeakPolarHBondContact CA-O 3.41Å; N211-K362 PolarHBondContact N-O 2.98Å; N211-I364 HydrophobicContact CB-CD1 3.71Å
212D89.1Confident94.9Very high31 Ų3121.3 Ų21.317%0.16612%0.119CC..SBendtrans-152.3169.4177.9-158.1-23.1000109H86 L210 I214 N216 W317 K362H86-D212 WeakPolarHBondContact CB-O 3.31Å; L210-D212 WeakPolarHBondContact CD2-O 3.23Å; L210-D212 WeakPolarHBondContact CG-O 3.45Å; D212-I214 PolarHBondContact O-N 2.77Å; D212-N216 PolarHBondContact OD1-ND2 3.21Å; D212-W317 HydrophobicContact CB-CH2 4.01Å; D212-W317 HydrophobicContact CB-CZ3 4.17Å; D212-K362 HydrophobicContact CB-CB 3.96Å; D212-K362 HydrophobicContact CB-CD 4.31Å; D212-K362 HydrophobicContact CB-CG 4.12Å; D212-K362 WeakPolarHBondContact OD2-CD 3.33Å; D212-K362 WeakPolarHBondContact OD2-CE 3.14Å; D212-K362 IonicContact OD2-NZ 3.73Å; D212-K362 PolarHBondContact OD2-NZ 3.39Å
213D89.7Confident94.9Very high43 Ų4326.9 Ų26.923%0.2315%0.145CC..  trans-66.7128.4173.8-166.8-49.2000109.8S215 N216D213-S215 PolarHBondContact O-N 2.98Å; D213-S215 VanDerWaalsContact O-N 3.12Å; D213-S215 VanDerWaalsContact OD1-CB 3.27Å; D213-S215 WeakPolarHBondContact OD1-CB 3.33Å; D213-S215 PolarHBondContact OD1-N 2.79Å; D213-S215 PolarHBondContact OD1-OG 3.29Å; D213-N216 WeakPolarHBondContact O-CB 3.45Å; D213-N216 PolarHBondContact O-N 3.35Å
214I94.1Very high94.8Very high0 Ų027.5 Ų27.50%015%0.147CC..Hα-helixtrans-59.7-23.8180-168.466000112.8I60 I62 I83 Q87 I131 I202 L210 D212 N216 L217 W218I60-I214 HydrophobicContact CD1-CG2 3.92Å; I60-I214 HydrophobicContact CG2-CG1 4.37Å; I62-I214 HydrophobicContact CD1-CD1 4.34Å; I62-I214 HydrophobicContact CD1-CG1 3.83Å; I83-I214 HydrophobicContact CG2-CB 4.16Å; I83-I214 HydrophobicContact CG2-CG2 3.86Å; Q87-I214 HydrophobicContact CG-CG2 4.07Å; I131-I214 HydrophobicContact CD1-CG2 4.1Å; I202-I214 HydrophobicContact CD1-CD1 4.04Å; I202-I214 HydrophobicContact CD1-CG1 4.28Å; L210-I214 HydrophobicContact CD1-CD1 4.33Å; L210-I214 HydrophobicContact CD2-CB 3.7Å; L210-I214 HydrophobicContact CD2-CD1 3.92Å; L210-I214 HydrophobicContact CD2-CG1 4.37Å; D212-I214 PolarHBondContact O-N 2.77Å; I214-N216 VanDerWaalsContact C-N 3.27Å; I214-N216 PolarHBondContact O-N 3.4Å; I214-L217 HydrophobicContact CD1-CB 4.25Å; I214-L217 HydrophobicContact CD1-CD2 3.81Å; I214-L217 WeakPolarHBondContact O-CB 3.4Å; I214-L217 PolarHBondContact O-N 3.31Å; I214-L217 VanDerWaalsContact O-N 3.14Å; I214-W218 PolarHBondContact O-N 2.88Å
215S93Very high94.8Very high32 Ų3231.1 Ų31.122%0.22417%0.167CC..Hα-helixtrans-63-31.8173.160.70000112.9D213 L217 W218 S219D213-S215 PolarHBondContact O-N 2.98Å; D213-S215 VanDerWaalsContact O-N 3.12Å; D213-S215 VanDerWaalsContact OD1-CB 3.27Å; D213-S215 WeakPolarHBondContact OD1-CB 3.33Å; D213-S215 PolarHBondContact OD1-N 2.79Å; D213-S215 PolarHBondContact OD1-OG 3.29Å; S215-L217 VanDerWaalsContact C-N 3.29Å; S215-L217 PolarHBondContact O-N 2.82Å; S215-W218 PolarHBondContact O-N 3.22Å; S215-S219 WeakPolarHBondContact O-CB 3.48Å; S215-S219 PolarHBondContact O-N 3.04Å; S215-S219 PolarHBondContact O-OG 2.92Å
216N93.3Very high95Very high66 Ų6637.5 Ų37.535%0.35319%0.193SC..Hα-helixtrans-69.9-28.4174.7-67.3-31.8000112.1D212 D213 I214 S219 W317D212-N216 PolarHBondContact OD1-ND2 3.21Å; D213-N216 WeakPolarHBondContact O-CB 3.45Å; D213-N216 PolarHBondContact O-N 3.35Å; I214-N216 VanDerWaalsContact C-N 3.27Å; I214-N216 PolarHBondContact O-N 3.4Å; N216-S219 PolarHBondContact O-OG 3Å; N216-W317 HydrophobicContact CB-CH2 3.91Å; N216-W317 HydrophobicContact CB-CZ2 3.98Å
217L96.7Very high95.2Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-75.5-43.8171.1-178.760.9000110.2I202 I214 S215 S219 L220 I260 L262 W317I202-L217 HydrophobicContact CD1-CB 4.37Å; I202-L217 HydrophobicContact CD1-CD2 3.91Å; I202-L217 HydrophobicContact CD1-CG 3.95Å; I202-L217 HydrophobicContact CG2-CD2 3.94Å; I214-L217 HydrophobicContact CD1-CB 4.25Å; I214-L217 HydrophobicContact CD1-CD2 3.81Å; I214-L217 WeakPolarHBondContact O-CB 3.4Å; I214-L217 PolarHBondContact O-N 3.31Å; I214-L217 VanDerWaalsContact O-N 3.14Å; S215-L217 VanDerWaalsContact C-N 3.29Å; S215-L217 PolarHBondContact O-N 2.82Å; L217-S219 VanDerWaalsContact C-N 3.29Å; L217-S219 PolarHBondContact O-N 2.93Å; L217-L220 HydrophobicContact CD1-CD1 3.87Å; L217-L220 WeakPolarHBondContact O-CB 3.11Å; L217-L220 WeakPolarHBondContact O-CG 3.36Å; L217-L220 PolarHBondContact O-N 3.41Å; L217-I260 HydrophobicContact CD1-CD1 3.81Å; L217-I260 HydrophobicContact CD2-CD1 3.33Å; L217-I260 HydrophobicContact CD2-CG1 4.48Å; L217-I260 HydrophobicContact CG-CD1 4.16Å; L217-L262 HydrophobicContact CD1-CD1 3.81Å; L217-L262 HydrophobicContact CD1-CD2 4.35Å; L217-L262 HydrophobicContact CD2-CD1 4.32Å; L217-L262 HydrophobicContact CG-CD1 3.99Å; L217-L262 WeakPolarHBondContact O-CD2 3.43Å; L217-W317 HydrophobicContact CB-CE3 4.14Å; L217-W317 HydrophobicContact CB-CH2 3.7Å; L217-W317 HydrophobicContact CB-CZ2 4.17Å; L217-W317 HydrophobicContact CB-CZ3 3.69Å; L217-W317 HydrophobicContact CD1-CB 4.43Å; L217-W317 HydrophobicContact CD1-CD2 3.76Å; L217-W317 HydrophobicContact CD1-CE3 3.82Å; L217-W317 HydrophobicContact CD1-CG 4.09Å; L217-W317 HydrophobicContact CD1-CZ3 4.26Å; L217-W317 HydrophobicContact CD2-CE3 4.5Å; L217-W317 HydrophobicContact CG-CE3 4.36Å; L217-W317 HydrophobicContact CG-CZ3 4.39Å
218W97.1Very high95.5Very high18 Ų1841.1 Ų41.17%0.06821%0.211CC..Hα-helixtrans-60.2-37178-174.7-102.6000112.8T59 I60 H61 K200 I202 I214 S215 L220 F221T59-W218 WeakPolarHBondContact O-CZ2 3.25Å; I60-W218 HydrophobicContact CB-CD2 4.22Å; I60-W218 HydrophobicContact CB-CE3 4.3Å; I60-W218 HydrophobicContact CB-CG 4.47Å; I60-W218 HydrophobicContact CD1-CB 4.16Å; I60-W218 HydrophobicContact CD1-CG 4.38Å; I60-W218 HydrophobicContact CG1-CB 4.14Å; I60-W218 HydrophobicContact CG1-CD2 4.06Å; I60-W218 HydrophobicContact CG1-CG 3.83Å; I60-W218 HydrophobicContact CG2-CB 4.38Å; I60-W218 HydrophobicContact CG2-CD2 4Å; I60-W218 HydrophobicContact CG2-CE3 3.68Å; I60-W218 HydrophobicContact CG2-CG 4.31Å; I60-W218 HydrophobicContact CG2-CZ3 4.25Å; H61-W218 HydrophobicContact CB-CH2 4.06Å; H61-W218 HydrophobicContact CB-CZ3 4.27Å; H61-W218 VanDerWaalsContact N-CZ3 3.33Å; H61-W218 WeakPolarHBondContact O-CZ3 3.42Å; K200-W218 HydrophobicContact CB-CH2 3.8Å; K200-W218 HydrophobicContact CB-CZ2 4.15Å; K200-W218 HydrophobicContact CB-CZ3 4.43Å; K200-W218 WeakPolarHBondContact O-CH2 3.43Å; I202-W218 HydrophobicContact CD1-CB 4.27Å; I202-W218 HydrophobicContact CD1-CE3 3.74Å; I202-W218 HydrophobicContact CG1-CE3 3.79Å; I202-W218 HydrophobicContact CG1-CZ3 4.19Å; I214-W218 PolarHBondContact O-N 2.88Å; S215-W218 PolarHBondContact O-N 3.22Å; W218-L220 PolarHBondContact O-N 2.92Å; W218-F221 HydrophobicContact CD2-CD2 4.19Å; W218-F221 HydrophobicContact CD2-CE2 4.43Å; W218-F221 HydrophobicContact CE3-CD2 4.02Å; W218-F221 AromaticContact CE3-CE2 3.81Å; W218-F221 HydrophobicContact CE3-CE2 3.81Å; W218-F221 HydrophobicContact CZ3-CD2 4.34Å; W218-F221 AromaticContact CZ3-CE2 3.85Å; W218-F221 HydrophobicContact CZ3-CE2 3.85Å; W218-F221 WeakPolarHBondContact O-CB 3.44Å; W218-F221 WeakPolarHBondContact O-CD2 3.38Å; W218-F221 PolarHBondContact O-N 3.24Å
219S95.3Very high95.6Very high48 Ų4841.1 Ų41.134%0.33621%0.211SC..G310 helixtrans-65.2-20.5178.964.40000113.4S215 N216 L217 F221 D222S215-S219 WeakPolarHBondContact O-CB 3.48Å; S215-S219 PolarHBondContact O-N 3.04Å; S215-S219 PolarHBondContact O-OG 2.92Å; N216-S219 PolarHBondContact O-OG 3Å; L217-S219 VanDerWaalsContact C-N 3.29Å; L217-S219 PolarHBondContact O-N 2.93Å; S219-F221 PolarHBondContact O-N 3.31Å; S219-F221 VanDerWaalsContact O-N 3.16Å; S219-D222 WeakPolarHBondContact O-CB 3.49Å; S219-D222 PolarHBondContact O-N 2.89Å
220L97.7Very high95.8Very high10 Ų1041.2 Ų41.25%0.05221%0.211CC..G310 helixtrans-62.5-22.2175.9-60.4-176000112.5L217 W218 D222 E223 F224 L262 Y311 L313L217-L220 HydrophobicContact CD1-CD1 3.87Å; L217-L220 WeakPolarHBondContact O-CB 3.11Å; L217-L220 WeakPolarHBondContact O-CG 3.36Å; L217-L220 PolarHBondContact O-N 3.41Å; W218-L220 PolarHBondContact O-N 2.92Å; L220-D222 PolarHBondContact O-N 3.03Å; L220-E223 WeakPolarHBondContact CD2-OE1 3.2Å; L220-E223 WeakPolarHBondContact O-CB 3.14Å; L220-E223 PolarHBondContact O-N 2.9Å; L220-E223 VanDerWaalsContact O-N 3.11Å; L220-F224 WeakPolarHBondContact O-CD1 3.47Å; L220-F224 WeakPolarHBondContact O-CE1 3.32Å; L220-L262 HydrophobicContact CB-CD2 3.79Å; L220-L262 HydrophobicContact CD1-CD2 4.47Å; L220-Y311 HydrophobicContact CB-CE1 4.35Å; L220-L313 HydrophobicContact CD1-CD2 3.83Å
221F97.9Very high96Very high8 Ų841.2 Ų41.24%0.03521%0.211CC..G310 helixtrans-59.9-27171.5-83.3-65.4000113.4K200 V201 I202 W218 S219 E223 F224 L262 H264K200-F221 HydrophobicContact CB-CD1 4.36Å; K200-F221 HydrophobicContact CB-CD2 4.21Å; K200-F221 HydrophobicContact CB-CE1 4.16Å; K200-F221 HydrophobicContact CB-CE2 4.01Å; K200-F221 HydrophobicContact CB-CG 4.38Å; K200-F221 HydrophobicContact CB-CZ 3.97Å; K200-F221 HydrophobicContact CD-CB 3.67Å; K200-F221 HydrophobicContact CD-CD1 3.83Å; K200-F221 HydrophobicContact CD-CD2 4.13Å; K200-F221 HydrophobicContact CD-CE1 4.46Å; K200-F221 HydrophobicContact CD-CG 3.64Å; K200-F221 HydrophobicContact CG-CD1 4.3Å; K200-F221 HydrophobicContact CG-CE1 4.46Å; K200-F221 HydrophobicContact CG-CG 4.42Å; V201-F221 WeakPolarHBondContact O-CZ 3.42Å; I202-F221 HydrophobicContact CG1-CE2 4.11Å; W218-F221 HydrophobicContact CD2-CD2 4.19Å; W218-F221 HydrophobicContact CD2-CE2 4.43Å; W218-F221 HydrophobicContact CE3-CD2 4.02Å; W218-F221 AromaticContact CE3-CE2 3.81Å; W218-F221 HydrophobicContact CE3-CE2 3.81Å; W218-F221 HydrophobicContact CZ3-CD2 4.34Å; W218-F221 AromaticContact CZ3-CE2 3.85Å; W218-F221 HydrophobicContact CZ3-CE2 3.85Å; W218-F221 WeakPolarHBondContact O-CB 3.44Å; W218-F221 WeakPolarHBondContact O-CD2 3.38Å; W218-F221 PolarHBondContact O-N 3.24Å; S219-F221 PolarHBondContact O-N 3.31Å; S219-F221 VanDerWaalsContact O-N 3.16Å; F221-E223 VanDerWaalsContact C-N 3.25Å; F221-F224 HydrophobicContact CD1-CD2 4.19Å; F221-F224 HydrophobicContact CD1-CE1 4.35Å; F221-F224 AromaticContact CD1-CE2 3.79Å; F221-F224 HydrophobicContact CD1-CE2 3.79Å; F221-F224 AromaticContact CD1-CZ 3.87Å; F221-F224 HydrophobicContact CD1-CZ 3.87Å; F221-F224 AromaticContact CE1-CE2 3.98Å; F221-F224 HydrophobicContact CE1-CE2 3.98Å; F221-F224 HydrophobicContact CE1-CZ 4.1Å; F221-F224 WeakPolarHBondContact O-CB 3.42Å; F221-F224 PolarHBondContact O-N 3.41Å; F221-L262 HydrophobicContact CD1-CB 4.37Å; F221-L262 HydrophobicContact CD2-CD2 4.2Å; F221-L262 HydrophobicContact CD2-CG 4.32Å; F221-L262 HydrophobicContact CE1-CB 3.71Å; F221-L262 HydrophobicContact CE1-CG 4.3Å; F221-L262 HydrophobicContact CE2-CB 4.11Å; F221-L262 HydrophobicContact CE2-CD2 4.2Å; F221-L262 HydrophobicContact CE2-CG 3.81Å; F221-L262 HydrophobicContact CG-CD2 4.42Å; F221-L262 HydrophobicContact CZ-CB 3.57Å; F221-L262 HydrophobicContact CZ-CD2 4.43Å; F221-L262 HydrophobicContact CZ-CG 3.81Å; F221-H264 HydrophobicContact CE1-CB 4.5Å
222D96.1Very high96.4Very high123 Ų12341 Ų4166%0.65821%0.21SC*.G310 helixtrans-80-14-179.1-55.7-26.3000111.4K200 S219 L220 F224K200-D222 IonicContact NZ-OD1 2.74Å; K200-D222 PolarHBondContact NZ-OD1 3.32Å; K200-D222 VanDerWaalsContact NZ-OD1 3.11Å; S219-D222 WeakPolarHBondContact O-CB 3.49Å; S219-D222 PolarHBondContact O-N 2.89Å; L220-D222 PolarHBondContact O-N 3.03Å; D222-F224 VanDerWaalsContact C-N 3.34Å
223E97.9Very high96.8Very high117 Ų11739.6 Ų39.655%0.54720%0.203SC..G310 helixtrans-83.6-9.4170.8-57.2-177-159.900112.8L220 F221 N225 Y311L220-E223 WeakPolarHBondContact CD2-OE1 3.2Å; L220-E223 WeakPolarHBondContact O-CB 3.14Å; L220-E223 PolarHBondContact O-N 2.9Å; L220-E223 VanDerWaalsContact O-N 3.11Å; F221-E223 VanDerWaalsContact C-N 3.25Å; E223-N225 PolarHBondContact O-N 3.25Å; E223-Y311 HydrophobicContact CB-CE2 3.67Å; E223-Y311 PolarHBondContact OE2-OH 3.46Å
224F98.4Very high97Very high20 Ų2038.7 Ų38.79%0.08820%0.201CC..  trans-68.2126178.9-75.526.4000109.6L220 F221 D222 Q228 L262 Y311L220-F224 WeakPolarHBondContact O-CD1 3.47Å; L220-F224 WeakPolarHBondContact O-CE1 3.32Å; F221-F224 HydrophobicContact CD1-CD2 4.19Å; F221-F224 HydrophobicContact CD1-CE1 4.35Å; F221-F224 AromaticContact CD1-CE2 3.79Å; F221-F224 HydrophobicContact CD1-CE2 3.79Å; F221-F224 AromaticContact CD1-CZ 3.87Å; F221-F224 HydrophobicContact CD1-CZ 3.87Å; F221-F224 AromaticContact CE1-CE2 3.98Å; F221-F224 HydrophobicContact CE1-CE2 3.98Å; F221-F224 HydrophobicContact CE1-CZ 4.1Å; F221-F224 WeakPolarHBondContact O-CB 3.42Å; F221-F224 PolarHBondContact O-N 3.41Å; D222-F224 VanDerWaalsContact C-N 3.34Å; F224-Q228 HydrophobicContact CB-CB 4Å; F224-Q228 HydrophobicContact CD2-CB 4.11Å; F224-Q228 HydrophobicContact CG-CB 4.1Å; F224-L262 HydrophobicContact CE1-CD2 4.48Å; F224-L262 HydrophobicContact CZ-CB 3.85Å; F224-L262 HydrophobicContact CZ-CD2 4.47Å; F224-Y311 AromaticContact CD1-CD1 3.92Å; F224-Y311 HydrophobicContact CD1-CD1 3.92Å; F224-Y311 AromaticContact CD1-CD2 3.59Å; F224-Y311 HydrophobicContact CD1-CD2 3.59Å; F224-Y311 HydrophobicContact CD1-CE1 4.44Å; F224-Y311 HydrophobicContact CD1-CE2 4.16Å; F224-Y311 AromaticContact CD1-CG 3.46Å; F224-Y311 HydrophobicContact CD1-CG 3.46Å; F224-Y311 VanDerWaalsContact CD1-CG 3.46Å; F224-Y311 AromaticContact CE1-CD1 3.34Å; F224-Y311 HydrophobicContact CE1-CD1 3.34Å; F224-Y311 AromaticContact CE1-CD2 3.93Å; F224-Y311 HydrophobicContact CE1-CD2 3.93Å; F224-Y311 AromaticContact CE1-CE1 3.98Å; F224-Y311 HydrophobicContact CE1-CE1 3.98Å; F224-Y311 HydrophobicContact CE1-CE2 4.49Å; F224-Y311 AromaticContact CE1-CG 3.31Å; F224-Y311 HydrophobicContact CE1-CG 3.31Å; F224-Y311 HydrophobicContact CG-CD2 4.48Å; F224-Y311 HydrophobicContact CG-CG 4.4Å; F224-Y311 HydrophobicContact CZ-CD1 4.15Å; F224-Y311 HydrophobicContact CZ-CG 4.13Å
225N98.3Very high96.9Very high78 Ų7838.8 Ų38.842%0.41720%0.202SC..  trans-68.5177.1170.37441.4000111.5E223 D227 Q228 K267E223-N225 PolarHBondContact O-N 3.25Å; N225-D227 PolarHBondContact O-N 3.32Å; N225-D227 VanDerWaalsContact O-N 3.15Å; N225-D227 WeakPolarHBondContact OD1-CA 3.47Å; N225-D227 PolarHBondContact OD1-N 2.86Å; N225-Q228 VanDerWaalsContact CG-OE1 3.32Å; N225-Q228 PolarHBondContact ND2-OE1 3.21Å; N225-Q228 PolarHBondContact O-N 3.25Å; N225-Q228 WeakPolarHBondContact OD1-CG 2.96Å; N225-Q228 PolarHBondContact OD1-N 3Å; N225-K267 PolarHBondContact O-NZ 3.24Å
226K97.6Very high96.9Very high170 Ų17037.7 Ų37.774%0.73919%0.193SC*.SBendtrans-55.5-34.7-177.668.6-178-176.1177.30113.3K267 R271K226-K267 PolarHBondContact O-NZ 3.42Å; K226-K267 VanDerWaalsContact O-NZ 3.13Å; K226-R271 PolarHBondContact O-NH2 3.34Å
227D98.2Very high96.6Very high65 Ų6535 Ų3535%0.34818%0.178SC..SBendtrans-90.1-25.5-174.6-62.8-49.1000112.9N225 R271 Q308N225-D227 PolarHBondContact O-N 3.32Å; N225-D227 VanDerWaalsContact O-N 3.15Å; N225-D227 WeakPolarHBondContact OD1-CA 3.47Å; N225-D227 PolarHBondContact OD1-N 2.86Å; D227-R271 PolarHBondContact O-NH1 3.42Å; D227-R271 PolarHBondContact O-NH2 2.88Å; D227-Q308 CarbonylContact C-O 3.58Å; D227-Q308 VanDerWaalsContact C-O 3.23Å; D227-Q308 HydrophobicContact CB-CB 4.15Å; D227-Q308 HydrophobicContact CB-CG 4.13Å
228Q98.8Very high95.8Very high31 Ų3136 Ų3615%0.14519%0.185CC..  trans-71.9137.1-179-71.2171-37.200113F224 N225 K267 Q308 W309 L310F224-Q228 HydrophobicContact CB-CB 4Å; F224-Q228 HydrophobicContact CD2-CB 4.11Å; F224-Q228 HydrophobicContact CG-CB 4.1Å; N225-Q228 VanDerWaalsContact CG-OE1 3.32Å; N225-Q228 PolarHBondContact ND2-OE1 3.21Å; N225-Q228 PolarHBondContact O-N 3.25Å; N225-Q228 WeakPolarHBondContact OD1-CG 2.96Å; N225-Q228 PolarHBondContact OD1-N 3Å; Q228-K267 WeakPolarHBondContact O-CD 3.3Å; Q228-K267 PolarHBondContact O-NZ 2.76Å; Q228-Q308 PolarHBondContact N-O 3.06Å; Q228-W309 WeakPolarHBondContact CA-O 3.01Å; Q228-L310 VanDerWaalsContact CG-O 3.31Å; Q228-L310 WeakPolarHBondContact CG-O 3.35Å; Q228-L310 PolarHBondContact NE2-O 3.41Å
229C98.7Very high94.7Very high0 Ų036.7 Ų36.70%019%0.191CC..  trans-146.8-8.5179.4620000115.4H264 K267 L268 R271 W309C229-H264 HydrophobicContact CB-CB 4.12Å; C229-H264 PolarHBondContact O-N 3.33Å; C229-K267 HydrophobicContact CB-CB 3.65Å; C229-K267 HydrophobicContact CB-CD 4.06Å; C229-L268 HydrophobicContact CB-CD2 4.2Å; C229-L268 HydrophobicContact CB-CG 4.27Å; C229-L268 WeakPolarHBondContact SG-CD2 3.45Å; C229-R271 VanDerWaalsContact CB-NH1 3.26Å; C229-R271 PolarHBondContact SG-NH1 3.12Å; C229-W309 PolarHBondContact N-O 2.88Å
230I98.9Very high93.4Very high2 Ų236.5 Ų36.51%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-126.8111.2174.4-60.9174.9000107.5I232 L262 I263 L268 W273 L303 W309 Y311I230-I232 HydrophobicContact CG2-CB 4.4Å; I230-I232 HydrophobicContact CG2-CG2 4.41Å; I230-L262 CarbonylContact C-O 3.59Å; I230-L262 WeakPolarHBondContact CA-O 3.19Å; I230-I263 HydrophobicContact CB-CD1 4.39Å; I230-I263 HydrophobicContact CG1-CD1 4.04Å; I230-I263 HydrophobicContact CG2-CD1 4.02Å; I230-L268 HydrophobicContact CD1-CD1 4.41Å; I230-L268 HydrophobicContact CD1-CD2 4.07Å; I230-L268 HydrophobicContact CG1-CD1 4.15Å; I230-L268 HydrophobicContact CG1-CD2 4.06Å; I230-L268 HydrophobicContact CG1-CG 4.49Å; I230-W273 HydrophobicContact CD1-CE3 4.38Å; I230-W273 HydrophobicContact CD1-CH2 4.16Å; I230-W273 HydrophobicContact CD1-CZ3 3.77Å; I230-L303 HydrophobicContact CB-CD2 4.25Å; I230-L303 HydrophobicContact CD1-CD2 4.1Å; I230-L303 HydrophobicContact CG2-CD1 4.38Å; I230-W309 PolarHBondContact N-O 2.86Å; I230-Y311 PolarHBondContact O-N 3.32Å
231G98.9Very high91.7Very high0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-89.1124.1166.700000110L261 L262 Y311G231-L261 CarbonylContact O-C 3.6Å; G231-L261 WeakPolarHBondContact O-CA 3.22Å; G231-L262 PolarHBondContact N-O 3.28Å; G231-L262 PolarHBondContact O-N 3.41Å; G231-Y311 WeakPolarHBondContact CA-O 3.34Å
232I98.6Very high89.9Confident0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-149.8149179.6-166.8174000109.9I230 Y256 N257 L261 I299 L303 L310 Y311 L313I230-I232 HydrophobicContact CG2-CB 4.4Å; I230-I232 HydrophobicContact CG2-CG2 4.41Å; I232-Y256 HydrophobicContact CG2-CD1 3.73Å; I232-Y256 HydrophobicContact CG2-CD2 4.23Å; I232-Y256 HydrophobicContact CG2-CE1 4.5Å; I232-Y256 HydrophobicContact CG2-CG 3.62Å; I232-N257 WeakPolarHBondContact CD1-O 3.41Å; I232-N257 WeakPolarHBondContact CG1-O 3.46Å; I232-L261 HydrophobicContact CB-CD2 4.1Å; I232-L261 HydrophobicContact CD1-CD2 3.44Å; I232-L261 VanDerWaalsContact CD1-CD2 3.44Å; I232-L261 HydrophobicContact CG1-CD2 3.72Å; I232-I299 HydrophobicContact CD1-CG2 4.05Å; I232-L303 HydrophobicContact CG2-CD1 3.92Å; I232-L310 HydrophobicContact CG2-CD1 3.54Å; I232-Y311 PolarHBondContact N-O 2.81Å; I232-Y311 VanDerWaalsContact N-O 3.11Å; I232-L313 PolarHBondContact O-N 3.35Å
233A97.3Very high87.9Confident1 Ų142.4 Ų42.41%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-95.2145.9-178.400000111.6Y256 N257 I260 L313 N318A233-Y256 WeakPolarHBondContact O-CA 3.25Å; A233-N257 PolarHBondContact O-N 3.3Å; A233-I260 HydrophobicContact CB-CG2 4.38Å; A233-L313 HydrophobicContact CB-CB 4.06Å; A233-L313 HydrophobicContact CB-CD1 4.36Å; A233-N318 HydrophobicContact CB-CB 3.31Å
234A94.6Very high85.9Confident24 Ų2439.6 Ų39.620%0.19821%0.206CC..EExtended strand (participates in β ladder)trans-59.5143.5179.600000112.1Y256 Q320A234-Y256 HydrophobicContact CB-CD1 4.45Å; A234-Y256 HydrophobicContact CB-CE1 4.42Å; A234-Q320 PolarHBondContact O-NE2 3.47Å
235E92.7Very high83.7Confident2 Ų239.9 Ų39.91%0.00921%0.214CC..PPolyproline II helixtrans-68.2131.4173.9-179.757.3-113.800109.8N237 F240 G255 N257 Q296 Q320 R329E235-N237 VanDerWaalsContact OE1-CB 3.23Å; E235-N237 WeakPolarHBondContact OE1-CB 3.39Å; E235-N237 PolarHBondContact OE1-N 2.77Å; E235-F240 HydrophobicContact CG-CD2 3.91Å; E235-G255 WeakPolarHBondContact CB-O 3.42Å; E235-G255 PolarHBondContact N-O 3.48Å; E235-N257 WeakPolarHBondContact OE2-CB 3.41Å; E235-N257 PolarHBondContact OE2-ND2 3.4Å; E235-Q296 PolarHBondContact OE2-NE2 3.43Å; E235-Q320 PolarHBondContact OE1-OE1 2.81Å; E235-R329 PolarHBondContact O-NE 3.34Å; E235-R329 VanDerWaalsContact O-NE 3.12Å; E235-R329 PolarHBondContact O-NH2 2.94Å
236Q92.1Very high81.7Confident9 Ų942.7 Ų42.74%0.04223%0.225CC..SBendtrans-96.6-13.9179.1-67.5-165.8-96.300112.7P238 N318 Q320 I326 R329 C330Q236-P238 VanDerWaalsContact O-CD 3.25Å; Q236-P238 WeakPolarHBondContact O-CD 3.34Å; Q236-N318 PolarHBondContact OE1-O 3.44Å; Q236-Q320 HydrophobicContact CB-CB 4.2Å; Q236-I326 PolarHBondContact NE2-O 3.17Å; Q236-I326 PolarHBondContact O-N 3.08Å; Q236-R329 HydrophobicContact CG-CB 4.49Å; Q236-R329 WeakPolarHBondContact O-CD 3.34Å; Q236-C330 VanDerWaalsContact NE2-CB 3.28Å
237N88Confident79.7Confident8 Ų844.6 Ų44.64%0.04323%0.227CC..  trans-90.6103.4171.7179.84.8000111.1E235 T239 F240 F324E235-N237 VanDerWaalsContact OE1-CB 3.23Å; E235-N237 WeakPolarHBondContact OE1-CB 3.39Å; E235-N237 PolarHBondContact OE1-N 2.77Å; N237-T239 VanDerWaalsContact CG-OG1 3.26Å; N237-T239 PolarHBondContact ND2-OG1 3.01Å; N237-T239 PolarHBondContact O-N 2.87Å; N237-T239 WeakPolarHBondContact OD1-CB 3.03Å; N237-T239 WeakPolarHBondContact OD1-CG2 3.34Å; N237-T239 PolarHBondContact OD1-N 2.96Å; N237-T239 PolarHBondContact OD1-OG1 2.74Å; N237-F240 HydrophobicContact CB-CD2 3.86Å; N237-F240 HydrophobicContact CB-CE2 3.96Å; N237-F240 WeakPolarHBondContact ND2-CE2 3.28Å; N237-F324 VanDerWaalsContact CG-CB 3.47Å; N237-F324 WeakPolarHBondContact OD1-CB 3.23Å; N237-F324 PolarHBondContact OD1-O 3.32Å
238P79.6Confident77.7Confident23 Ų2346.3 Ų46.315%0.14923%0.232CC..THydrogen-bonded Turntrans-71.5-10.9179.134.8-39.1000112.8Q236 F240 Y241 S242 Y254 I326Q236-P238 VanDerWaalsContact O-CD 3.25Å; Q236-P238 WeakPolarHBondContact O-CD 3.34Å; P238-F240 PolarHBondContact O-N 3.48Å; P238-Y241 CarbonylContact O-C 3.57Å; P238-Y241 WeakPolarHBondContact O-CA 3.18Å; P238-Y241 WeakPolarHBondContact O-CB 3.32Å; P238-Y241 PolarHBondContact O-N 3.16Å; P238-S242 PolarHBondContact O-N 2.78Å; P238-S242 PolarHBondContact O-OG 3.1Å; P238-Y254 HydrophobicContact CB-CD1 3.95Å; P238-Y254 HydrophobicContact CB-CE1 3.91Å; P238-I326 HydrophobicContact CG-CD1 3.48Å; P238-I326 VanDerWaalsContact CG-CD1 3.48Å; P238-I326 HydrophobicContact CG-CG1 3.99Å
239T73.7Confident76.2Confident31 Ų3145.3 Ų45.319%0.1923%0.227CC..Hα-helixtrans-64.2-28.9-178.568.80000112.4N237 Y241 S242 N243 F324N237-T239 VanDerWaalsContact CG-OG1 3.26Å; N237-T239 PolarHBondContact ND2-OG1 3.01Å; N237-T239 PolarHBondContact O-N 2.87Å; N237-T239 WeakPolarHBondContact OD1-CB 3.03Å; N237-T239 WeakPolarHBondContact OD1-CG2 3.34Å; N237-T239 PolarHBondContact OD1-N 2.96Å; N237-T239 PolarHBondContact OD1-OG1 2.74Å; T239-Y241 PolarHBondContact O-N 2.85Å; T239-S242 WeakPolarHBondContact CA-OG 3.4Å; T239-S242 PolarHBondContact O-N 3.13Å; T239-N243 WeakPolarHBondContact O-CB 3.42Å; T239-N243 PolarHBondContact O-N 2.79Å; T239-F324 HydrophobicContact CG2-CB 3.77Å; T239-F324 HydrophobicContact CG2-CD1 4.13Å; T239-F324 HydrophobicContact CG2-CG 3.9Å
240F67.6Low75.2Confident44 Ų4447.2 Ų47.219%0.19324%0.239CC..Hα-helixtrans-57.9-34.9170.7-70.2-63.2000111.3E235 N237 P238 M244 T293E235-F240 HydrophobicContact CG-CD2 3.91Å; N237-F240 HydrophobicContact CB-CD2 3.86Å; N237-F240 HydrophobicContact CB-CE2 3.96Å; N237-F240 WeakPolarHBondContact ND2-CE2 3.28Å; P238-F240 PolarHBondContact O-N 3.48Å; F240-M244 HydrophobicContact CD1-CE 4.24Å; F240-M244 HydrophobicContact CD1-SD 4.45Å; F240-M244 WeakPolarHBondContact O-CB 3.35Å; F240-T293 HydrophobicContact CD1-CG2 3.89Å; F240-T293 HydrophobicContact CE1-CG2 3.29Å; F240-T293 HydrophobicContact CZ-CG2 3.76Å
241Y62.5Low74.4Confident64 Ų6448 Ų4825%0.25124%0.244SC..Hα-helixtrans-87.5-43.7175.5-171.8-93.9000113.3P238 T239 G245 Q246 T251 G253 Y254P238-Y241 CarbonylContact O-C 3.57Å; P238-Y241 WeakPolarHBondContact O-CA 3.18Å; P238-Y241 WeakPolarHBondContact O-CB 3.32Å; P238-Y241 PolarHBondContact O-N 3.16Å; T239-Y241 PolarHBondContact O-N 2.85Å; Y241-G245 WeakPolarHBondContact O-CA 3.39Å; Y241-G245 PolarHBondContact O-N 3.26Å; Y241-Q246 HydrophobicContact CE2-CG 3.57Å; Y241-Q246 VanDerWaalsContact OH-CG 3.25Å; Y241-Q246 WeakPolarHBondContact OH-CG 3.42Å; Y241-Q246 PolarHBondContact OH-NE2 2.89Å; Y241-T251 HydrophobicContact CD2-CG2 4.36Å; Y241-G253 WeakPolarHBondContact CD2-O 3.5Å; Y241-G253 WeakPolarHBondContact CE2-O 3.48Å; Y241-Y254 HydrophobicContact CD1-CD1 4.01Å; Y241-Y254 AromaticContact CD1-CE1 3.91Å; Y241-Y254 HydrophobicContact CD1-CE1 3.91Å; Y241-Y254 AromaticContact CG-CD1 3.83Å; Y241-Y254 HydrophobicContact CG-CD1 3.83Å; Y241-Y254 HydrophobicContact CG-CE1 4.23Å
242S58.7Low73.8Confident74 Ų7449.5 Ų49.552%0.51725%0.251SS..Hα-helixtrans-77.3-38.8-171.769.30000113.2P238 T239P238-S242 PolarHBondContact O-N 2.78Å; P238-S242 PolarHBondContact O-OG 3.1Å; T239-S242 WeakPolarHBondContact CA-OG 3.4Å; T239-S242 PolarHBondContact O-N 3.13Å
243N55.9Low73.1Confident127 Ų12752.1 Ų52.168%0.67928%0.278SS*.THydrogen-bonded Turntrans-90.5-31-175.3-63.6-5.6000111.7T239T239-N243 WeakPolarHBondContact O-CB 3.42Å; T239-N243 PolarHBondContact O-N 2.79Å
244M55.6Low72.5Confident59 Ų5956.9 Ų56.929%0.29130%0.297SS..THydrogen-bonded Turntrans-95.2-20.3176.7-47.5-173.9178.200111.8F240 F248 P292F240-M244 HydrophobicContact CD1-CE 4.24Å; F240-M244 HydrophobicContact CD1-SD 4.45Å; F240-M244 WeakPolarHBondContact O-CB 3.35Å; M244-F248 HydrophobicContact CB-CB 3.8Å; M244-F248 HydrophobicContact CB-CG 4.22Å; M244-F248 VanDerWaalsContact O-CB 3.3Å; M244-F248 WeakPolarHBondContact O-CB 3.46Å; M244-F248 WeakPolarHBondContact O-CD2 3.5Å; M244-F248 WeakPolarHBondContact O-CG 3.2Å; M244-P292 HydrophobicContact CE-CB 3.73Å; M244-P292 HydrophobicContact CE-CG 3.96Å; M244-P292 HydrophobicContact SD-CB 3.9Å; M244-P292 HydrophobicContact SD-CG 3.69Å
245G52.2Low72.3Confident25 Ų2555.9 Ų55.926%0.25829%0.289SS..Hα-helixtrans70.5161.4177.900000113.8Y241 R247 F248 W249Y241-G245 WeakPolarHBondContact O-CA 3.39Å; Y241-G245 PolarHBondContact O-N 3.26Å; G245-R247 PolarHBondContact O-N 3.02Å; G245-F248 PolarHBondContact O-N 2.79Å; G245-W249 PolarHBondContact O-N 3.34Å
246Q55.7Low72.4Confident138 Ų13856.4 Ų56.465%0.64529%0.291SS*.Hα-helixtrans-51.8-27.8169.3-75.4-172.5-13.400112.4Y241 F248 W249Y241-Q246 HydrophobicContact CE2-CG 3.57Å; Y241-Q246 VanDerWaalsContact OH-CG 3.25Å; Y241-Q246 WeakPolarHBondContact OH-CG 3.42Å; Y241-Q246 PolarHBondContact OH-NE2 2.89Å; Q246-F248 VanDerWaalsContact C-N 3.28Å; Q246-F248 PolarHBondContact O-N 2.91Å; Q246-W249 CarbonylContact O-C 3.48Å; Q246-W249 PolarHBondContact O-N 3.39Å
247R55.1Low72.5Confident209 Ų20956.3 Ų56.379%0.78929%0.291SS*.Hα-helixtrans-62.8-33.3179.3-169.1172.7-177.51641112.2G245 K288G245-R247 PolarHBondContact O-N 3.02Å; R247-K288 WeakPolarHBondContact O-CE 3.46Å; R247-K288 PolarHBondContact O-NZ 2.76Å
248F57.4Low72.8Confident102 Ų10256.2 Ų56.245%0.44729%0.29SS..Hα-helixtrans-89.7-21.3178.7-80-104000112.8M244 G245 Q246 K288M244-F248 HydrophobicContact CB-CB 3.8Å; M244-F248 HydrophobicContact CB-CG 4.22Å; M244-F248 VanDerWaalsContact O-CB 3.3Å; M244-F248 WeakPolarHBondContact O-CB 3.46Å; M244-F248 WeakPolarHBondContact O-CD2 3.5Å; M244-F248 WeakPolarHBondContact O-CG 3.2Å; G245-F248 PolarHBondContact O-N 2.79Å; Q246-F248 VanDerWaalsContact C-N 3.28Å; Q246-F248 PolarHBondContact O-N 2.91Å; F248-K288 HydrophobicContact CD1-CD 4.32Å
249W65.9Low73.5Confident10 Ų1055.1 Ų55.14%0.03828%0.283CS..  trans-134.394.2-170-87.471.6000111.7G245 Q246 T251 T293 Q296 D297 N300G245-W249 PolarHBondContact O-N 3.34Å; Q246-W249 CarbonylContact O-C 3.48Å; Q246-W249 PolarHBondContact O-N 3.39Å; W249-T251 VanDerWaalsContact C-N 3.34Å; W249-T251 HydrophobicContact CB-CG2 4.49Å; W249-T251 PolarHBondContact O-N 2.93Å; W249-T293 HydrophobicContact CH2-CG2 4.1Å; W249-T293 WeakPolarHBondContact CH2-OG1 3.46Å; W249-T293 HydrophobicContact CZ2-CG2 3.78Å; W249-T293 WeakPolarHBondContact CZ2-OG1 3.37Å; W249-Q296 HydrophobicContact CH2-CG 3.91Å; W249-Q296 HydrophobicContact CZ3-CG 4.22Å; W249-D297 HydrophobicContact CH2-CB 4.5Å; W249-D297 VanDerWaalsContact CH2-OD1 3.29Å; W249-D297 WeakPolarHBondContact CH2-OD1 3.38Å; W249-D297 HydrophobicContact CZ2-CB 4.3Å; W249-D297 WeakPolarHBondContact CZ2-OD1 3.35Å; W249-N300 HydrophobicContact CE3-CB 4.07Å; W249-N300 HydrophobicContact CZ3-CB 4.01Å; W249-N300 WeakPolarHBondContact CZ3-ND2 3.47Å
250P77.3Confident74.7Confident40 Ų4053.6 Ų53.626%0.2627%0.274SS..  trans-66.297.2169.127.1-31.5000108.4L284 N300 A301 N304P250-L284 HydrophobicContact CG-CD2 3.91Å; P250-N300 CarbonylContact O-C 3.49Å; P250-A301 HydrophobicContact CG-CB 3.67Å; P250-A301 VanDerWaalsContact O-CA 3.25Å; P250-A301 WeakPolarHBondContact O-CA 3.45Å; P250-A301 PolarHBondContact O-N 3.14Å; P250-N304 WeakPolarHBondContact O-CB 3.27Å
251T82.9Confident76.1Confident19 Ų1951.7 Ų51.712%0.11727%0.266CS..  trans-139161.2-173.3-163.90000112.4Y241 W249 G253 G255 N300Y241-T251 HydrophobicContact CD2-CG2 4.36Å; W249-T251 VanDerWaalsContact C-N 3.34Å; W249-T251 HydrophobicContact CB-CG2 4.49Å; W249-T251 PolarHBondContact O-N 2.93Å; T251-G253 WeakPolarHBondContact CG2-O 3.43Å; T251-G255 WeakPolarHBondContact OG1-CA 3.49Å; T251-G255 PolarHBondContact OG1-N 2.86Å; T251-N300 PolarHBondContact OG1-OD1 3.16Å
252L85.8Confident77.9Confident30 Ų3048.7 Ų48.716%0.15725%0.254CS..SBendtrans-87122.7169.5-57174000108.8Y254 G255 Y256 N304 K307 L310L252-Y254 PolarHBondContact O-N 2.65Å; L252-G255 WeakPolarHBondContact O-CA 2.89Å; L252-G255 PolarHBondContact O-N 2.91Å; L252-Y256 HydrophobicContact CB-CE2 4Å; L252-Y256 HydrophobicContact CD1-CE2 4.4Å; L252-N304 WeakPolarHBondContact CD2-OD1 3.23Å; L252-K307 HydrophobicContact CD1-CB 4.11Å; L252-K307 HydrophobicContact CD1-CD 4.39Å; L252-K307 HydrophobicContact CD1-CG 4.01Å; L252-K307 HydrophobicContact CD2-CD 3.48Å; L252-K307 VanDerWaalsContact CD2-CD 3.48Å; L252-K307 VanDerWaalsContact CD2-CE 3.42Å; L252-K307 HydrophobicContact CD2-CG 3.79Å; L252-K307 HydrophobicContact CG-CG 4.49Å; L252-L310 HydrophobicContact CD1-CD2 3.9Å
253G84.9Confident79.8Confident55 Ų5545.6 Ų45.657%0.56723%0.232SC*.THydrogen-bonded Turntrans59-124.2-176.600000111.6Y241 T251 G255Y241-G253 WeakPolarHBondContact CD2-O 3.5Å; Y241-G253 WeakPolarHBondContact CE2-O 3.48Å; T251-G253 WeakPolarHBondContact CG2-O 3.43Å; G253-G255 VanDerWaalsContact C-N 3.32Å
254Y84.9Confident81.8Confident102 Ų10240.9 Ų40.940%0.421%0.205SC..THydrogen-bonded Turntrans-88.8-2.5176.5-67.9-89.3000113P238 Y241 L252 R329P238-Y254 HydrophobicContact CB-CD1 3.95Å; P238-Y254 HydrophobicContact CB-CE1 3.91Å; Y241-Y254 HydrophobicContact CD1-CD1 4.01Å; Y241-Y254 AromaticContact CD1-CE1 3.91Å; Y241-Y254 HydrophobicContact CD1-CE1 3.91Å; Y241-Y254 AromaticContact CG-CD1 3.83Å; Y241-Y254 HydrophobicContact CG-CD1 3.83Å; Y241-Y254 HydrophobicContact CG-CE1 4.23Å; L252-Y254 PolarHBondContact O-N 2.65Å; Y254-R329 VanDerWaalsContact CD2-NH2 3.27Å
255G90.2Very high83.9Confident2 Ų238 Ų382%0.02119%0.192CC..  trans80.8-172.9-171.500000114.7E235 T251 L252 G253 N300E235-G255 WeakPolarHBondContact CB-O 3.42Å; E235-G255 PolarHBondContact N-O 3.48Å; T251-G255 WeakPolarHBondContact OG1-CA 3.49Å; T251-G255 PolarHBondContact OG1-N 2.86Å; L252-G255 WeakPolarHBondContact O-CA 2.89Å; L252-G255 PolarHBondContact O-N 2.91Å; G253-G255 VanDerWaalsContact C-N 3.32Å; G255-N300 WeakPolarHBondContact CA-OD1 3.02Å
256Y93.8Very high86.1Confident13 Ų1339.7 Ų39.75%0.05120%0.197CC..EExtended strand (participates in β ladder)trans-130.5144.6-166.3-62.1-77000110.5I232 A233 A234 L252 Q296 N300 L303 L310 E312I232-Y256 HydrophobicContact CG2-CD1 3.73Å; I232-Y256 HydrophobicContact CG2-CD2 4.23Å; I232-Y256 HydrophobicContact CG2-CE1 4.5Å; I232-Y256 HydrophobicContact CG2-CG 3.62Å; A233-Y256 WeakPolarHBondContact O-CA 3.25Å; A234-Y256 HydrophobicContact CB-CD1 4.45Å; A234-Y256 HydrophobicContact CB-CE1 4.42Å; L252-Y256 HydrophobicContact CB-CE2 4Å; L252-Y256 HydrophobicContact CD1-CE2 4.4Å; Y256-Q296 VanDerWaalsContact O-CD 3.23Å; Y256-Q296 VanDerWaalsContact O-CG 3.22Å; Y256-Q296 WeakPolarHBondContact O-CG 3.33Å; Y256-Q296 PolarHBondContact O-NE2 3.46Å; Y256-N300 WeakPolarHBondContact CD2-OD1 3.45Å; Y256-N300 PolarHBondContact N-OD1 3.33Å; Y256-N300 PolarHBondContact O-ND2 3.21Å; Y256-L303 HydrophobicContact CD2-CD1 4.27Å; Y256-L310 HydrophobicContact CD1-CD1 4.44Å; Y256-L310 HydrophobicContact CE1-CD1 4.05Å; Y256-L310 HydrophobicContact CE1-CD2 4.22Å; Y256-L310 HydrophobicContact CE2-CD1 4.11Å; Y256-L310 HydrophobicContact CE2-CD2 3.8Å; Y256-L310 VanDerWaalsContact CZ-CD2 3.43Å; Y256-L310 WeakPolarHBondContact OH-CD2 3.42Å; Y256-E312 HydrophobicContact CE1-CB 4.47Å; Y256-E312 HydrophobicContact CE1-CG 3.89Å; Y256-E312 VanDerWaalsContact CE1-OE2 3.25Å; Y256-E312 WeakPolarHBondContact CE1-OE2 3.45Å; Y256-E312 PolarHBondContact OH-OE2 2.97Å
257N94.4Very high88.1Confident8 Ų835.1 Ų35.14%0.04318%0.175CC..EExtended strand (participates in β ladder)trans-95.1129.3-179.5-175.7-82.6000111I232 A233 E235 G259 Q296 N318 H365I232-N257 WeakPolarHBondContact CD1-O 3.41Å; I232-N257 WeakPolarHBondContact CG1-O 3.46Å; A233-N257 PolarHBondContact O-N 3.3Å; E235-N257 WeakPolarHBondContact OE2-CB 3.41Å; E235-N257 PolarHBondContact OE2-ND2 3.4Å; N257-G259 VanDerWaalsContact C-N 3.29Å; N257-G259 PolarHBondContact O-N 3.11Å; N257-G259 WeakPolarHBondContact OD1-CA 3.31Å; N257-G259 PolarHBondContact OD1-N 3.4Å; N257-Q296 VanDerWaalsContact CA-OE1 3.29Å; N257-Q296 PolarHBondContact ND2-OE1 2.78Å; N257-N318 PolarHBondContact OD1-ND2 3.08Å; N257-N318 VanDerWaalsContact OD1-ND2 3.13Å; N257-H365 PolarHBondContact OD1-CE1 3.15Å; N257-H365 PolarHBondContact OD1-ND1 2.84Å
258S94.1Very high90.2Very high5 Ų525.2 Ų25.24%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-86.611.2-175.172.40000114.4K187 I260 E295 Q296K187-S258 PolarHBondContact NZ-O 2.87Å; K187-S258 VanDerWaalsContact NZ-O 3.14Å; S258-I260 PolarHBondContact O-N 3.32Å; S258-E295 PolarHBondContact OG-OE1 2.95Å; S258-Q296 PolarHBondContact OG-OE1 3.23Å
259G94.6Very high92.1Very high0 Ų022.9 Ų22.90%013%0.126CC..EExtended strand (participates in β ladder)trans-60.1-31.9175.100000112.9N205 I208 N257 H365N205-G259 PolarHBondContact N-O 2.91Å; I208-G259 WeakPolarHBondContact CD1-O 3.42Å; N257-G259 VanDerWaalsContact C-N 3.29Å; N257-G259 PolarHBondContact O-N 3.11Å; N257-G259 WeakPolarHBondContact OD1-CA 3.31Å; N257-G259 PolarHBondContact OD1-N 3.4Å; G259-H365 VanDerWaalsContact CA-CE1 3.48Å; G259-H365 WeakPolarHBondContact CA-CE1 3.48Å
260I98.2Very high93.7Very high0 Ų026.7 Ų26.70%016%0.159CC..EExtended strand (participates in β ladder)trans-131.7132.3172.5177.4163.6000110.4V203 L204 L217 A233 S258 L262 L313 N318 L363V203-I260 WeakPolarHBondContact O-CA 3.27Å; L204-I260 HydrophobicContact CD2-CB 4.14Å; L204-I260 HydrophobicContact CD2-CD1 3.95Å; L204-I260 HydrophobicContact CD2-CG1 3.88Å; L217-I260 HydrophobicContact CD1-CD1 3.81Å; L217-I260 HydrophobicContact CD2-CD1 3.33Å; L217-I260 HydrophobicContact CD2-CG1 4.48Å; L217-I260 HydrophobicContact CG-CD1 4.16Å; A233-I260 HydrophobicContact CB-CG2 4.38Å; S258-I260 PolarHBondContact O-N 3.32Å; I260-L262 HydrophobicContact CD1-CD1 4.18Å; I260-L262 HydrophobicContact CG1-CD1 4.09Å; I260-L313 HydrophobicContact CD1-CD1 4.26Å; I260-L313 HydrophobicContact CG1-CD1 4.14Å; I260-L313 HydrophobicContact CG2-CD1 4.09Å; I260-N318 HydrophobicContact CG2-CB 3.66Å; I260-L363 HydrophobicContact CD1-CD1 3.62Å
261L98.8Very high94.6Very high4 Ų427.7 Ų27.72%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-133.7130.3173.8-56.7165.5000110.4I202 V203 G231 I232 I263 I299I202-L261 CarbonylContact C-O 3.58Å; I202-L261 WeakPolarHBondContact CA-O 3.36Å; V203-L261 HydrophobicContact CB-CB 4.06Å; V203-L261 HydrophobicContact CB-CD1 4.35Å; V203-L261 HydrophobicContact CG2-CB 4.36Å; V203-L261 PolarHBondContact N-O 3.27Å; V203-L261 PolarHBondContact O-N 3.13Å; G231-L261 CarbonylContact O-C 3.6Å; G231-L261 WeakPolarHBondContact O-CA 3.22Å; I232-L261 HydrophobicContact CB-CD2 4.1Å; I232-L261 HydrophobicContact CD1-CD2 3.44Å; I232-L261 VanDerWaalsContact CD1-CD2 3.44Å; I232-L261 HydrophobicContact CG1-CD2 3.72Å; L261-I263 HydrophobicContact CB-CD1 3.85Å; L261-I263 HydrophobicContact CB-CG1 3.85Å; L261-I299 HydrophobicContact CD1-CD1 3.98Å; L261-I299 HydrophobicContact CD2-CD1 4.22Å
262L98.9Very high95.4Very high0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-99.5101.2166.2-90.464.3000108.2I202 L217 L220 F221 F224 I230 G231 I260 L313I202-L262 HydrophobicContact CG1-CD1 4.16Å; I202-L262 HydrophobicContact CG1-CG 4.22Å; I202-L262 HydrophobicContact CG2-CD1 4.24Å; L217-L262 HydrophobicContact CD1-CD1 3.81Å; L217-L262 HydrophobicContact CD1-CD2 4.35Å; L217-L262 HydrophobicContact CD2-CD1 4.32Å; L217-L262 HydrophobicContact CG-CD1 3.99Å; L217-L262 WeakPolarHBondContact O-CD2 3.43Å; L220-L262 HydrophobicContact CB-CD2 3.79Å; L220-L262 HydrophobicContact CD1-CD2 4.47Å; F221-L262 HydrophobicContact CD1-CB 4.37Å; F221-L262 HydrophobicContact CD2-CD2 4.2Å; F221-L262 HydrophobicContact CD2-CG 4.32Å; F221-L262 HydrophobicContact CE1-CB 3.71Å; F221-L262 HydrophobicContact CE1-CG 4.3Å; F221-L262 HydrophobicContact CE2-CB 4.11Å; F221-L262 HydrophobicContact CE2-CD2 4.2Å; F221-L262 HydrophobicContact CE2-CG 3.81Å; F221-L262 HydrophobicContact CG-CD2 4.42Å; F221-L262 HydrophobicContact CZ-CB 3.57Å; F221-L262 HydrophobicContact CZ-CD2 4.43Å; F221-L262 HydrophobicContact CZ-CG 3.81Å; F224-L262 HydrophobicContact CE1-CD2 4.48Å; F224-L262 HydrophobicContact CZ-CB 3.85Å; F224-L262 HydrophobicContact CZ-CD2 4.47Å; I230-L262 CarbonylContact C-O 3.59Å; I230-L262 WeakPolarHBondContact CA-O 3.19Å; G231-L262 PolarHBondContact N-O 3.28Å; G231-L262 PolarHBondContact O-N 3.41Å; I260-L262 HydrophobicContact CD1-CD1 4.18Å; I260-L262 HydrophobicContact CG1-CD1 4.09Å; L262-L313 HydrophobicContact CD1-CD1 4.2Å; L262-L313 HydrophobicContact CD1-CD2 4.33Å; L262-L313 HydrophobicContact CD2-CD2 4.01Å
263I98.9Very high96Very high9 Ų927.1 Ų27.15%0.04616%0.16CC..EExtended strand (participates in β ladder)trans-102.9119-173.7-58.2-59.8000111I190 K200 V201 V203 I230 L261 L265 L268I190-I263 HydrophobicContact CG2-CG2 4.27Å; K200-I263 CarbonylContact C-O 3.12Å; K200-I263 WeakPolarHBondContact CA-O 3.27Å; V201-I263 HydrophobicContact CG1-CB 3.92Å; V201-I263 HydrophobicContact CG1-CG2 4.48Å; V201-I263 PolarHBondContact N-O 2.92Å; V201-I263 PolarHBondContact O-N 2.78Å; V203-I263 HydrophobicContact CG2-CG1 4.1Å; I230-I263 HydrophobicContact CB-CD1 4.39Å; I230-I263 HydrophobicContact CG1-CD1 4.04Å; I230-I263 HydrophobicContact CG2-CD1 4.02Å; L261-I263 HydrophobicContact CB-CD1 3.85Å; L261-I263 HydrophobicContact CB-CG1 3.85Å; I263-L265 HydrophobicContact CG2-CD2 3.78Å; I263-L265 HydrophobicContact CG2-CG 4.23Å; I263-L265 PolarHBondContact O-N 2.82Å; I263-L268 HydrophobicContact CD1-CD1 4.48Å; I263-L268 HydrophobicContact CG2-CD1 3.46Å; I263-L268 VanDerWaalsContact CG2-CD1 3.46Å; I263-L268 HydrophobicContact CG2-CG 4.44Å
264H98.7Very high96.5Very high28 Ų2826.4 Ų26.413%0.1314%0.143CC..  trans-86.388.4167.3-165.6-27.8000109.9R199 F221 C229 T266 K267 L268R199-H264 CarbonylContact O-C 3.23Å; R199-H264 PolarHBondContact O-ND1 2.97Å; F221-H264 HydrophobicContact CE1-CB 4.5Å; C229-H264 HydrophobicContact CB-CB 4.12Å; C229-H264 PolarHBondContact O-N 3.33Å; H264-T266 PolarHBondContact O-N 2.93Å; H264-K267 HydrophobicContact CB-CB 4.35Å; H264-K267 HydrophobicContact CB-CD 4.34Å; H264-K267 HydrophobicContact CB-CG 4.48Å; H264-K267 VanDerWaalsContact CD2-CE 3.46Å; H264-K267 WeakPolarHBondContact CD2-CE 3.45Å; H264-K267 PolarHBondContact O-N 2.87Å; H264-L268 PolarHBondContact O-N 2.93Å
265L98.8Very high97.1Very high0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-53.7-47.3-175.3-62.3166.2000113.2I190 T191 L194 I198 R199 V201 I263 K267 L268 R269I190-L265 HydrophobicContact CG1-CD2 4.24Å; I190-L265 HydrophobicContact CG2-CD2 4.09Å; T191-L265 HydrophobicContact CG2-CD2 4.14Å; L194-L265 HydrophobicContact CB-CD1 4.25Å; L194-L265 HydrophobicContact CD1-CD1 3.88Å; I198-L265 HydrophobicContact CB-CD1 4.03Å; I198-L265 HydrophobicContact CG2-CD1 3.71Å; I198-L265 WeakPolarHBondContact O-CD1 3.47Å; R199-L265 PolarHBondContact O-N 3Å; V201-L265 HydrophobicContact CB-CD1 4.12Å; V201-L265 HydrophobicContact CG1-CD1 3.82Å; V201-L265 HydrophobicContact CG1-CD2 3.92Å; V201-L265 HydrophobicContact CG1-CG 3.87Å; I263-L265 HydrophobicContact CG2-CD2 3.78Å; I263-L265 HydrophobicContact CG2-CG 4.23Å; I263-L265 PolarHBondContact O-N 2.82Å; L265-K267 PolarHBondContact O-N 3.24Å; L265-L268 PolarHBondContact O-N 2.8Å; L265-R269 WeakPolarHBondContact O-CB 3.03Å; L265-R269 WeakPolarHBondContact O-CG 3.4Å; L265-R269 PolarHBondContact O-N 3.04Å
266T98Very high97.5Very high60 Ų6031.1 Ų31.137%0.36817%0.169SC..Hα-helixtrans-59.3-44.8-179.7-51.20000112.2R199 H264 A270R199-T266 WeakPolarHBondContact CA-OG1 3.43Å; R199-T266 WeakPolarHBondContact CB-OG1 3.26Å; R199-T266 WeakPolarHBondContact CG-OG1 3.22Å; R199-T266 PolarHBondContact O-N 2.84Å; H264-T266 PolarHBondContact O-N 2.93Å; T266-A270 WeakPolarHBondContact O-CB 3.4Å; T266-A270 PolarHBondContact O-N 3.31Å
267K98.6Very high97.6Very high42 Ų4230.5 Ų30.518%0.18317%0.166CC..Hα-helixtrans-65.7-41.8178.2-70.2-175.8-174.6-176.70111.3N225 K226 Q228 C229 H264 L265 A270 R271N225-K267 PolarHBondContact O-NZ 3.24Å; K226-K267 PolarHBondContact O-NZ 3.42Å; K226-K267 VanDerWaalsContact O-NZ 3.13Å; Q228-K267 WeakPolarHBondContact O-CD 3.3Å; Q228-K267 PolarHBondContact O-NZ 2.76Å; C229-K267 HydrophobicContact CB-CB 3.65Å; C229-K267 HydrophobicContact CB-CD 4.06Å; H264-K267 HydrophobicContact CB-CB 4.35Å; H264-K267 HydrophobicContact CB-CD 4.34Å; H264-K267 HydrophobicContact CB-CG 4.48Å; H264-K267 VanDerWaalsContact CD2-CE 3.46Å; H264-K267 WeakPolarHBondContact CD2-CE 3.45Å; H264-K267 PolarHBondContact O-N 2.87Å; L265-K267 PolarHBondContact O-N 3.24Å; K267-A270 PolarHBondContact O-N 2.95Å; K267-R271 WeakPolarHBondContact O-CB 3.48Å; K267-R271 VanDerWaalsContact O-CD 3.31Å; K267-R271 WeakPolarHBondContact O-CD 3.5Å; K267-R271 WeakPolarHBondContact O-CG 3.35Å; K267-R271 PolarHBondContact O-N 2.99Å; K267-R271 VanDerWaalsContact O-N 3.16Å
268L98.6Very high97.5Very high1 Ų132.9 Ų32.91%0.00518%0.178CC..Hα-helixtrans-64.7-45.3177.6-77.8-171.2000112.8T191 C229 I230 I263 H264 L265 A270 R271 G272 W273 W309T191-L268 HydrophobicContact CG2-CB 3.89Å; T191-L268 HydrophobicContact CG2-CD1 4.14Å; C229-L268 HydrophobicContact CB-CD2 4.2Å; C229-L268 HydrophobicContact CB-CG 4.27Å; C229-L268 WeakPolarHBondContact SG-CD2 3.45Å; I230-L268 HydrophobicContact CD1-CD1 4.41Å; I230-L268 HydrophobicContact CD1-CD2 4.07Å; I230-L268 HydrophobicContact CG1-CD1 4.15Å; I230-L268 HydrophobicContact CG1-CD2 4.06Å; I230-L268 HydrophobicContact CG1-CG 4.49Å; I263-L268 HydrophobicContact CD1-CD1 4.48Å; I263-L268 HydrophobicContact CG2-CD1 3.46Å; I263-L268 VanDerWaalsContact CG2-CD1 3.46Å; I263-L268 HydrophobicContact CG2-CG 4.44Å; H264-L268 PolarHBondContact O-N 2.93Å; L265-L268 PolarHBondContact O-N 2.8Å; L268-A270 PolarHBondContact O-N 3.4Å; L268-R271 PolarHBondContact O-N 3.11Å; L268-R271 VanDerWaalsContact O-N 3.14Å; L268-G272 PolarHBondContact O-N 3.42Å; L268-W273 HydrophobicContact CB-CB 3.82Å; L268-W273 HydrophobicContact CB-CG 4.2Å; L268-W273 HydrophobicContact CD1-CD2 4.12Å; L268-W273 HydrophobicContact CD1-CE3 4.45Å; L268-W273 HydrophobicContact CD1-CG 4.16Å; L268-W273 HydrophobicContact CD2-CB 4.2Å; L268-W273 HydrophobicContact CD2-CD2 4.16Å; L268-W273 HydrophobicContact CD2-CE3 3.85Å; L268-W273 HydrophobicContact CD2-CG 4.3Å; L268-W273 HydrophobicContact CG-CB 4.45Å; L268-W273 HydrophobicContact CG-CG 4.48Å; L268-W273 VanDerWaalsContact O-CB 3.27Å; L268-W273 WeakPolarHBondContact O-CB 3.38Å; L268-W273 PolarHBondContact O-N 3.12Å; L268-W309 HydrophobicContact CD2-CE3 4.21Å; L268-W309 HydrophobicContact CD2-CZ3 4.24Å
269R98.4Very high97.6Very high53 Ų5339.5 Ų39.520%0.221%0.206CC..Hα-helixtrans-57.8-48.4175.3-70.4176.8-171.8128.8-3.3111T191 L194 P195 N196 I198 L265 R271 G272T191-R269 PolarHBondContact O-NE 3.03Å; T191-R269 PolarHBondContact O-NH2 3.2Å; T191-R269 VanDerWaalsContact O-NH2 3.14Å; L194-R269 PolarHBondContact O-NH2 3.33Å; P195-R269 PolarHBondContact O-NH2 3.16Å; N196-R269 PolarHBondContact O-NH1 2.89Å; N196-R269 PolarHBondContact OD1-NE 3.45Å; I198-R269 PolarHBondContact O-NH1 3.44Å; L265-R269 WeakPolarHBondContact O-CB 3.03Å; L265-R269 WeakPolarHBondContact O-CG 3.4Å; L265-R269 PolarHBondContact O-N 3.04Å; R269-R271 PolarHBondContact O-N 3.26Å; R269-R271 VanDerWaalsContact O-N 3.16Å; R269-G272 PolarHBondContact O-N 2.81Å; R269-G272 VanDerWaalsContact O-N 3.11Å
270A98.3Very high97.5Very high89 Ų8940 Ų4074%0.73621%0.209SC*.Hα-helixtrans-62.9-21.7179.200000113.8T266 K267 L268T266-A270 WeakPolarHBondContact O-CB 3.4Å; T266-A270 PolarHBondContact O-N 3.31Å; K267-A270 PolarHBondContact O-N 2.95Å; L268-A270 PolarHBondContact O-N 3.4Å
271R97.9Very high97.2Very high62 Ų6240 Ų4023%0.23421%0.209CC..THydrogen-bonded Turntrans-95.54179.7-71.1168.9-178.5163.11.9113.6K226 D227 C229 K267 L268 R269 I276 W309K226-R271 PolarHBondContact O-NH2 3.34Å; D227-R271 PolarHBondContact O-NH1 3.42Å; D227-R271 PolarHBondContact O-NH2 2.88Å; C229-R271 VanDerWaalsContact CB-NH1 3.26Å; C229-R271 PolarHBondContact SG-NH1 3.12Å; K267-R271 WeakPolarHBondContact O-CB 3.48Å; K267-R271 VanDerWaalsContact O-CD 3.31Å; K267-R271 WeakPolarHBondContact O-CD 3.5Å; K267-R271 WeakPolarHBondContact O-CG 3.35Å; K267-R271 PolarHBondContact O-N 2.99Å; K267-R271 VanDerWaalsContact O-N 3.16Å; L268-R271 PolarHBondContact O-N 3.11Å; L268-R271 VanDerWaalsContact O-N 3.14Å; R269-R271 PolarHBondContact O-N 3.26Å; R269-R271 VanDerWaalsContact O-N 3.16Å; R271-I276 WeakPolarHBondContact O-CD1 3.42Å; R271-W309 HydrophobicContact CB-CH2 3.85Å; R271-W309 HydrophobicContact CB-CZ2 3.7Å; R271-W309 HydrophobicContact CG-CZ2 4.04Å
272G97.7Very high96.8Very high27 Ų2744.3 Ų44.328%0.27823%0.228SC..THydrogen-bonded Turntrans67.336.4-177.900000112.7L268 R269 D274 E275 I276L268-G272 PolarHBondContact O-N 3.42Å; R269-G272 PolarHBondContact O-N 2.81Å; R269-G272 VanDerWaalsContact O-N 3.11Å; G272-D274 PolarHBondContact O-N 2.9Å; G272-D274 VanDerWaalsContact O-N 3.1Å; G272-E275 PolarHBondContact O-N 2.87Å; G272-E275 VanDerWaalsContact O-N 3.15Å; G272-I276 WeakPolarHBondContact O-CG1 3.46Å; G272-I276 PolarHBondContact O-N 3.04Å
273W98.3Very high96.4Very high10 Ų1047.8 Ų47.84%0.03825%0.246CC..Hα-helixtrans-45.3-44.4179.4166.7-104000112.6L188 T191 I230 L268 E275 I276 W277 I299 V302 W309L188-W273 HydrophobicContact CD2-CH2 4.45Å; L188-W273 HydrophobicContact CD2-CZ2 3.88Å; L188-W273 PolarHBondContact O-NE1 3.4Å; T191-W273 HydrophobicContact CG2-CB 4.5Å; T191-W273 HydrophobicContact CG2-CG 4.16Å; I230-W273 HydrophobicContact CD1-CE3 4.38Å; I230-W273 HydrophobicContact CD1-CH2 4.16Å; I230-W273 HydrophobicContact CD1-CZ3 3.77Å; L268-W273 HydrophobicContact CB-CB 3.82Å; L268-W273 HydrophobicContact CB-CG 4.2Å; L268-W273 HydrophobicContact CD1-CD2 4.12Å; L268-W273 HydrophobicContact CD1-CE3 4.45Å; L268-W273 HydrophobicContact CD1-CG 4.16Å; L268-W273 HydrophobicContact CD2-CB 4.2Å; L268-W273 HydrophobicContact CD2-CD2 4.16Å; L268-W273 HydrophobicContact CD2-CE3 3.85Å; L268-W273 HydrophobicContact CD2-CG 4.3Å; L268-W273 HydrophobicContact CG-CB 4.45Å; L268-W273 HydrophobicContact CG-CG 4.48Å; L268-W273 VanDerWaalsContact O-CB 3.27Å; L268-W273 WeakPolarHBondContact O-CB 3.38Å; L268-W273 PolarHBondContact O-N 3.12Å; W273-E275 PolarHBondContact O-N 3.42Å; W273-I276 PolarHBondContact O-N 3.29Å; W273-I276 VanDerWaalsContact O-N 3.11Å; W273-W277 AromaticContact CD1-CD1 3.54Å; W273-W277 HydrophobicContact CD2-CB 4.31Å; W273-W277 AromaticContact CE2-CD1 3.55Å; W273-W277 AromaticContact CE2-CG 3.99Å; W273-W277 HydrophobicContact CE3-CB 4.5Å; W273-W277 HydrophobicContact CH2-CB 3.97Å; W273-W277 HydrophobicContact CZ2-CB 3.73Å; W273-W277 HydrophobicContact CZ2-CG 4.11Å; W273-W277 HydrophobicContact CZ3-CB 4.36Å; W273-W277 AromaticContact NE1-CD1 3.22Å; W273-W277 AromaticContact NE1-NE1 3.89Å; W273-W277 PolarHBondContact O-N 2.94Å; W273-I299 HydrophobicContact CH2-CG1 4.36Å; W273-V302 HydrophobicContact CE3-CG1 4.36Å; W273-V302 HydrophobicContact CZ3-CB 4.13Å; W273-V302 HydrophobicContact CZ3-CG1 3.69Å; W273-V302 HydrophobicContact CZ3-CG2 4.27Å; W273-W309 HydrophobicContact CE3-CZ3 4.07Å
274D96.7Very high95.9Very high39 Ų3947.8 Ų47.821%0.20925%0.247CC..Hα-helixtrans-59.8-42.1-175.2-67.2-25000113.8T191 Q192 G272 W277 M278T191-D274 PolarHBondContact OG1-OD1 3.03Å; T191-D274 PolarHBondContact OG1-OD2 2.8Å; Q192-D274 WeakPolarHBondContact CG-OD2 3.49Å; Q192-D274 PolarHBondContact NE2-OD1 2.87Å; Q192-D274 PolarHBondContact NE2-OD2 3.14Å; G272-D274 PolarHBondContact O-N 2.9Å; G272-D274 VanDerWaalsContact O-N 3.1Å; D274-W277 VanDerWaalsContact CA-CD1 3.47Å; D274-W277 PolarHBondContact O-NE1 3.47Å; D274-M278 WeakPolarHBondContact O-CB 3.49Å; D274-M278 PolarHBondContact O-N 3.16Å
275E97Very high95.3Very high155 Ų15548 Ų4872%0.72425%0.248SC*.Hα-helixtrans-71.4-39175.9-63.9179.6-177.700110.9G272 W273 K279G272-E275 PolarHBondContact O-N 2.87Å; G272-E275 VanDerWaalsContact O-N 3.15Å; W273-E275 PolarHBondContact O-N 3.42Å; E275-K279 VanDerWaalsContact O-CB 3.24Å; E275-K279 WeakPolarHBondContact O-CB 3.37Å; E275-K279 PolarHBondContact O-N 2.89Å
276I98.1Very high94.7Very high48 Ų4855.8 Ų55.825%0.24629%0.285CS..Hα-helixtrans-68.4-50.7-175.6-70.1168.5000111.7R271 G272 W273 M278 T280 V302 W309R271-I276 WeakPolarHBondContact O-CD1 3.42Å; G272-I276 WeakPolarHBondContact O-CG1 3.46Å; G272-I276 PolarHBondContact O-N 3.04Å; W273-I276 PolarHBondContact O-N 3.29Å; W273-I276 VanDerWaalsContact O-N 3.11Å; I276-M278 VanDerWaalsContact C-N 3.31Å; I276-T280 VanDerWaalsContact O-CB 3.27Å; I276-T280 WeakPolarHBondContact O-CB 3.29Å; I276-T280 PolarHBondContact O-N 3.41Å; I276-T280 PolarHBondContact O-OG1 3.01Å; I276-V302 HydrophobicContact CG2-CG1 3.75Å; I276-V302 HydrophobicContact CG2-CG2 4.07Å; I276-W309 HydrophobicContact CD1-CH2 3.57Å; I276-W309 HydrophobicContact CD1-CZ2 4.35Å; I276-W309 HydrophobicContact CD1-CZ3 4.44Å
277W96Very high94.2Very high0 Ų059.2 Ų59.20%030%0.297CS..Hα-helixtrans-66.7-39.3179.880.3-105.6000109.9F174 L188 L189 W273 D274 T280 A281 V298 V302F174-W277 HydrophobicContact CE2-CH2 4Å; F174-W277 AromaticContact CE2-CZ3 3.94Å; F174-W277 HydrophobicContact CE2-CZ3 3.94Å; F174-W277 HydrophobicContact CZ-CH2 4.23Å; F174-W277 AromaticContact CZ-CZ3 3.9Å; F174-W277 HydrophobicContact CZ-CZ3 3.9Å; L188-W277 HydrophobicContact CB-CD2 3.65Å; L188-W277 HydrophobicContact CB-CE3 3.88Å; L188-W277 HydrophobicContact CB-CG 4.04Å; L188-W277 HydrophobicContact CB-CZ2 4.43Å; L188-W277 HydrophobicContact CB-CZ3 4.34Å; L188-W277 HydrophobicContact CD1-CD2 4Å; L188-W277 HydrophobicContact CD1-CE3 3.4Å; L188-W277 VanDerWaalsContact CD1-CE3 3.4Å; L188-W277 HydrophobicContact CD1-CZ3 3.87Å; L188-W277 HydrophobicContact CG-CD2 4.37Å; L188-W277 HydrophobicContact CG-CE3 4.24Å; L188-W277 PolarHBondContact O-NE1 2.92Å; L189-W277 HydrophobicContact CD2-CH2 4.09Å; L189-W277 HydrophobicContact CD2-CZ2 3.36Å; L189-W277 HydrophobicContact CG-CZ2 4.34Å; W273-W277 AromaticContact CD1-CD1 3.54Å; W273-W277 HydrophobicContact CD2-CB 4.31Å; W273-W277 AromaticContact CE2-CD1 3.55Å; W273-W277 AromaticContact CE2-CG 3.99Å; W273-W277 HydrophobicContact CE3-CB 4.5Å; W273-W277 HydrophobicContact CH2-CB 3.97Å; W273-W277 HydrophobicContact CZ2-CB 3.73Å; W273-W277 HydrophobicContact CZ2-CG 4.11Å; W273-W277 HydrophobicContact CZ3-CB 4.36Å; W273-W277 AromaticContact NE1-CD1 3.22Å; W273-W277 AromaticContact NE1-NE1 3.89Å; W273-W277 PolarHBondContact O-N 2.94Å; D274-W277 VanDerWaalsContact CA-CD1 3.47Å; D274-W277 PolarHBondContact O-NE1 3.47Å; W277-T280 PolarHBondContact O-N 3.48Å; W277-A281 HydrophobicContact CE3-CB 4.11Å; W277-A281 HydrophobicContact CZ3-CB 4.22Å; W277-A281 WeakPolarHBondContact O-CB 3.33Å; W277-A281 PolarHBondContact O-N 3.04Å; W277-V298 HydrophobicContact CB-CG1 4.13Å; W277-V302 HydrophobicContact CB-CG2 4.45Å
278M93.8Very high93.3Very high58 Ų5858.8 Ų58.829%0.28630%0.295SS..Hα-helixtrans-65.2-48.1-177.5-173.6175.8-68.600111F174 D274 I276 T280 A281 F282F174-M278 HydrophobicContact CZ-CG 4.26Å; D274-M278 WeakPolarHBondContact O-CB 3.49Å; D274-M278 PolarHBondContact O-N 3.16Å; I276-M278 VanDerWaalsContact C-N 3.31Å; M278-T280 VanDerWaalsContact C-N 3.29Å; M278-T280 PolarHBondContact O-N 3.39Å; M278-A281 PolarHBondContact O-N 2.86Å; M278-F282 HydrophobicContact CG-CD2 3.82Å; M278-F282 HydrophobicContact CG-CE2 3.54Å; M278-F282 WeakPolarHBondContact O-CD2 3.31Å; M278-F282 PolarHBondContact O-N 3.23Å; M278-F282 HydrophobicContact SD-CE2 4.16Å
279K94.5Very high92.4Very high145 Ų14568.6 Ų68.663%0.6333%0.332SS*.Hα-helixtrans-59.2-41.4173-177.3176.7-178.2175.10111.8E275 N283E275-K279 VanDerWaalsContact O-CB 3.24Å; E275-K279 WeakPolarHBondContact O-CB 3.37Å; E275-K279 PolarHBondContact O-N 2.89Å; K279-N283 WeakPolarHBondContact O-CB 3.3Å; K279-N283 PolarHBondContact O-N 2.91Å; K279-N283 PolarHBondContact O-OD1 2.68Å
280T93.6Very high91.4Very high10 Ų1070.4 Ų70.46%0.06135%0.345CS..Hα-helixtrans-65-44.4178.7-59.90000111.4I276 W277 M278 N283 L284 V298 A301 V302I276-T280 VanDerWaalsContact O-CB 3.27Å; I276-T280 WeakPolarHBondContact O-CB 3.29Å; I276-T280 PolarHBondContact O-N 3.41Å; I276-T280 PolarHBondContact O-OG1 3.01Å; W277-T280 PolarHBondContact O-N 3.48Å; M278-T280 VanDerWaalsContact C-N 3.29Å; M278-T280 PolarHBondContact O-N 3.39Å; T280-N283 PolarHBondContact O-N 2.76Å; T280-L284 HydrophobicContact CG2-CD1 4.06Å; T280-L284 HydrophobicContact CG2-CG 4.4Å; T280-L284 WeakPolarHBondContact O-CB 3.36Å; T280-L284 VanDerWaalsContact O-CG 3.26Å; T280-L284 WeakPolarHBondContact O-CG 3.19Å; T280-L284 PolarHBondContact O-N 2.84Å; T280-V298 HydrophobicContact CG2-CG1 4.36Å; T280-A301 HydrophobicContact CG2-CB 3.51Å; T280-V302 HydrophobicContact CG2-CG2 3.9Å
281A91.2Very high90.7Very high0 Ų066.3 Ų66.30%031%0.31CS..Hα-helixtrans-62.7-44.9177.900000111.9F174 W277 M278 L284 I285 V298F174-A281 HydrophobicContact CD1-CB 3.86Å; F174-A281 HydrophobicContact CE1-CB 3.49Å; F174-A281 VanDerWaalsContact CE1-CB 3.49Å; F174-A281 HydrophobicContact CZ-CB 4.26Å; W277-A281 HydrophobicContact CE3-CB 4.11Å; W277-A281 HydrophobicContact CZ3-CB 4.22Å; W277-A281 WeakPolarHBondContact O-CB 3.33Å; W277-A281 PolarHBondContact O-N 3.04Å; M278-A281 PolarHBondContact O-N 2.86Å; A281-L284 PolarHBondContact O-N 3.45Å; A281-I285 WeakPolarHBondContact O-CG1 3.43Å; A281-I285 PolarHBondContact O-N 2.92Å; A281-V298 HydrophobicContact CB-CG1 4.01Å; A281-V298 HydrophobicContact CB-CG2 3.73Å
282F90.3Very high89.8Confident95 Ų9565 Ų6542%0.41731%0.31SS..Hα-helixtrans-60.9-47.7176-81.3-61.1000112.1F174 M278 L284 I285 E286F174-F282 AromaticContact CE1-CD1 3.96Å; F174-F282 HydrophobicContact CE1-CD1 3.96Å; F174-F282 HydrophobicContact CE1-CD2 4.14Å; F174-F282 AromaticContact CE1-CE1 3.91Å; F174-F282 HydrophobicContact CE1-CE1 3.91Å; F174-F282 HydrophobicContact CE1-CE2 4.1Å; F174-F282 HydrophobicContact CE1-CG 4.06Å; F174-F282 AromaticContact CE1-CZ 3.97Å; F174-F282 HydrophobicContact CE1-CZ 3.97Å; F174-F282 HydrophobicContact CE2-CZ 4.47Å; F174-F282 HydrophobicContact CZ-CD1 4.44Å; F174-F282 HydrophobicContact CZ-CD2 4.11Å; F174-F282 HydrophobicContact CZ-CE1 4.04Å; F174-F282 AromaticContact CZ-CE2 3.68Å; F174-F282 HydrophobicContact CZ-CE2 3.68Å; F174-F282 HydrophobicContact CZ-CG 4.46Å; F174-F282 AromaticContact CZ-CZ 3.63Å; F174-F282 HydrophobicContact CZ-CZ 3.63Å; M278-F282 HydrophobicContact CG-CD2 3.82Å; M278-F282 HydrophobicContact CG-CE2 3.54Å; M278-F282 WeakPolarHBondContact O-CD2 3.31Å; M278-F282 PolarHBondContact O-N 3.23Å; M278-F282 HydrophobicContact SD-CE2 4.16Å; F282-L284 VanDerWaalsContact C-N 3.32Å; F282-L284 PolarHBondContact O-N 3.14Å; F282-I285 PolarHBondContact O-N 3.24Å; F282-E286 WeakPolarHBondContact O-CB 3.28Å; F282-E286 PolarHBondContact O-N 3.3Å
283N91.1Very high89.1Confident72 Ų7264.3 Ų64.339%0.38530%0.3SS..Hα-helixtrans-61.2-41.2178.1-69.99.3000112K279 T280 E286 E287K279-N283 WeakPolarHBondContact O-CB 3.3Å; K279-N283 PolarHBondContact O-N 2.91Å; K279-N283 PolarHBondContact O-OD1 2.68Å; T280-N283 PolarHBondContact O-N 2.76Å; N283-E286 PolarHBondContact O-N 2.9Å; N283-E287 WeakPolarHBondContact O-CB 3.45Å; N283-E287 PolarHBondContact O-N 3Å
284L88.3Confident88.5Confident10 Ų1063.9 Ų63.95%0.05230%0.298CS..Hα-helixtrans-65.5-42.4177.1-72.1171.9000111.8P250 T280 A281 F282 E287 K288 L291 V298 A301P250-L284 HydrophobicContact CG-CD2 3.91Å; T280-L284 HydrophobicContact CG2-CD1 4.06Å; T280-L284 HydrophobicContact CG2-CG 4.4Å; T280-L284 WeakPolarHBondContact O-CB 3.36Å; T280-L284 VanDerWaalsContact O-CG 3.26Å; T280-L284 WeakPolarHBondContact O-CG 3.19Å; T280-L284 PolarHBondContact O-N 2.84Å; A281-L284 PolarHBondContact O-N 3.45Å; F282-L284 VanDerWaalsContact C-N 3.32Å; F282-L284 PolarHBondContact O-N 3.14Å; L284-E287 PolarHBondContact O-N 3.17Å; L284-K288 WeakPolarHBondContact O-CA 3.36Å; L284-K288 WeakPolarHBondContact O-CB 3.34Å; L284-K288 WeakPolarHBondContact O-CG 3.31Å; L284-K288 PolarHBondContact O-N 3.22Å; L284-L291 HydrophobicContact CB-CD1 4.3Å; L284-L291 HydrophobicContact CB-CD2 3.74Å; L284-L291 HydrophobicContact CD1-CD1 4.45Å; L284-V298 HydrophobicContact CD1-CG2 4.28Å; L284-A301 HydrophobicContact CD1-CB 3.68Å; L284-A301 HydrophobicContact CD2-CB 4.33Å; L284-A301 HydrophobicContact CG-CB 4.38Å
285I85.8Confident88.3Confident32 Ų3262.1 Ų62.116%0.16429%0.289CS..Hα-helixtrans-68.1-38.8177.6-70.4-173.2000111.3F174 A281 F282 E287 R289 L291F174-I285 HydrophobicContact CB-CD1 3.81Å; F174-I285 HydrophobicContact CD1-CD1 3.51Å; F174-I285 HydrophobicContact CG-CD1 4.11Å; A281-I285 WeakPolarHBondContact O-CG1 3.43Å; A281-I285 PolarHBondContact O-N 2.92Å; F282-I285 PolarHBondContact O-N 3.24Å; I285-E287 VanDerWaalsContact C-N 3.32Å; I285-E287 PolarHBondContact O-N 3.42Å; I285-R289 WeakPolarHBondContact O-CA 3.16Å; I285-R289 PolarHBondContact O-N 2.94Å; I285-L291 HydrophobicContact CG1-CD1 4.01Å; I285-L291 HydrophobicContact CG1-CD2 4.37Å; I285-L291 HydrophobicContact CG1-CG 3.94Å
286E87.4Confident88.1Confident164 Ų16455.2 Ų55.277%0.76626%0.257SS*.Hα-helixtrans-60.6-44.3175-174.2179.2-17200111.1F282 N283F282-E286 WeakPolarHBondContact O-CB 3.28Å; F282-E286 PolarHBondContact O-N 3.3Å; N283-E286 PolarHBondContact O-N 2.9Å
287E86.4Confident87.7Confident132 Ų13253.2 Ų53.262%0.61725%0.246SC*.Hα-helixtrans-77.1-40.2-177.8-166.4-171.7162.800113.3N283 L284 I285N283-E287 WeakPolarHBondContact O-CB 3.45Å; N283-E287 PolarHBondContact O-N 3Å; L284-E287 PolarHBondContact O-N 3.17Å; I285-E287 VanDerWaalsContact C-N 3.32Å; I285-E287 PolarHBondContact O-N 3.42Å
288K80.6Confident87.5Confident33 Ų3353.2 Ų53.214%0.14325%0.246CC..Hα-helixtrans-107.8-13.4-169.5-51.3-57.3170.9-163.80114.3R247 F248 L284 I290 L291R247-K288 WeakPolarHBondContact O-CE 3.46Å; R247-K288 PolarHBondContact O-NZ 2.76Å; F248-K288 HydrophobicContact CD1-CD 4.32Å; L284-K288 WeakPolarHBondContact O-CA 3.36Å; L284-K288 WeakPolarHBondContact O-CB 3.34Å; L284-K288 WeakPolarHBondContact O-CG 3.31Å; L284-K288 PolarHBondContact O-N 3.22Å; K288-I290 PolarHBondContact O-N 2.67Å; K288-L291 HydrophobicContact CB-CD2 4.44Å
289R80Confident87.6Confident207 Ų20750.8 Ų50.878%0.78124%0.235SC*.SBendtrans65.8-41.8-174.4-54.3179.4176.4-179.9-2115.3I285I285-R289 WeakPolarHBondContact O-CA 3.16Å; I285-R289 PolarHBondContact O-N 2.94Å
290I76.4Confident87.6Confident91 Ų9143.9 Ų43.947%0.46721%0.205SC..SBendtrans-135.3138.8-178.4-61.3177000108.6S177 K288 P292S177-I290 WeakPolarHBondContact OG-CG2 3.48Å; K288-I290 PolarHBondContact O-N 2.67Å; I290-P292 WeakPolarHBondContact O-CD 3.38Å
291L82.7Confident87.6Confident2 Ų243.5 Ų43.51%0.0120%0.202CC..BIsolated β-bridgetrans-102.6106.9174.4-56.7-169000109.7S176 Y185 L284 I285 K288 T293 G294 D297 V298S176-L291 PolarHBondContact OG-O 2.81Å; Y185-L291 HydrophobicContact CE1-CD1 4.18Å; Y185-L291 WeakPolarHBondContact OH-CD1 3.27Å; L284-L291 HydrophobicContact CB-CD1 4.3Å; L284-L291 HydrophobicContact CB-CD2 3.74Å; L284-L291 HydrophobicContact CD1-CD1 4.45Å; I285-L291 HydrophobicContact CG1-CD1 4.01Å; I285-L291 HydrophobicContact CG1-CD2 4.37Å; I285-L291 HydrophobicContact CG1-CG 3.94Å; K288-L291 HydrophobicContact CB-CD2 4.44Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 2.83Å; L291-G294 PolarHBondContact O-N 2.91Å; L291-G294 VanDerWaalsContact O-N 3.16Å; L291-D297 WeakPolarHBondContact CA-OD2 3.45Å; L291-D297 HydrophobicContact CB-CB 4.19Å; L291-D297 VanDerWaalsContact CB-OD2 3.27Å; L291-D297 WeakPolarHBondContact CB-OD2 3.22Å; L291-D297 HydrophobicContact CD1-CB 4.3Å; L291-V298 HydrophobicContact CD1-CG2 3.73Å
292P79.1Confident87.8Confident36 Ų3643.5 Ų43.523%0.23420%0.202CC..THydrogen-bonded Turntrans-55.9-36.7-173.3-31.838.9000115.3S177 M244 I290 D297S177-P292 WeakPolarHBondContact OG-CA 3.42Å; M244-P292 HydrophobicContact CE-CB 3.73Å; M244-P292 HydrophobicContact CE-CG 3.96Å; M244-P292 HydrophobicContact SD-CB 3.9Å; M244-P292 HydrophobicContact SD-CG 3.69Å; I290-P292 WeakPolarHBondContact O-CD 3.38Å; P292-D297 WeakPolarHBondContact CD-OD2 3.25Å
293T83.4Confident88.1Confident12 Ų1239 Ų397%0.07418%0.182CC..THydrogen-bonded Turntrans-115.419.3177.875.40000112.8F240 W249 L291 E295 Q296 D297F240-T293 HydrophobicContact CD1-CG2 3.89Å; F240-T293 HydrophobicContact CE1-CG2 3.29Å; F240-T293 HydrophobicContact CZ-CG2 3.76Å; W249-T293 HydrophobicContact CH2-CG2 4.1Å; W249-T293 WeakPolarHBondContact CH2-OG1 3.46Å; W249-T293 HydrophobicContact CZ2-CG2 3.78Å; W249-T293 WeakPolarHBondContact CZ2-OG1 3.37Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 2.83Å; T293-E295 PolarHBondContact O-N 2.87Å; T293-E295 VanDerWaalsContact O-N 3.15Å; T293-Q296 PolarHBondContact O-N 3.02Å; T293-Q296 VanDerWaalsContact OG1-CB 3.3Å; T293-Q296 WeakPolarHBondContact OG1-CB 3.23Å; T293-D297 VanDerWaalsContact CA-OD1 3.28Å; T293-D297 WeakPolarHBondContact CA-OD1 3.04Å; T293-D297 WeakPolarHBondContact CB-OD1 3.25Å; T293-D297 PolarHBondContact N-OD1 2.84Å; T293-D297 PolarHBondContact OG1-OD1 2.92Å
294G86.5Confident88.2Confident0 Ų037.7 Ų37.70%018%0.176CC..THydrogen-bonded Turntrans62.9-113.5169.700000113.2Y185 L291 Q296 D297Y185-G294 VanDerWaalsContact CE1-C 3.43Å; L291-G294 PolarHBondContact O-N 2.91Å; L291-G294 VanDerWaalsContact O-N 3.16Å; G294-Q296 VanDerWaalsContact C-N 3.27Å; G294-Q296 PolarHBondContact O-N 2.65Å; G294-D297 PolarHBondContact O-N 3.12Å
295E92.2Very high88.5Confident2 Ų243.7 Ų43.71%0.00920%0.201CC..Hα-helixtrans-68.1-29.1-176.186.1-71.7-176.800112.8N184 Y185 K187 L188 S258 T293 D297 V298 I299N184-E295 VanDerWaalsContact CB-OE2 3.23Å; N184-E295 WeakPolarHBondContact CB-OE2 3.49Å; N184-E295 PolarHBondContact ND2-OE2 2.85Å; Y185-E295 HydrophobicContact CD1-CB 4.17Å; K187-E295 HydrophobicContact CB-CG 4.21Å; K187-E295 HydrophobicContact CD-CG 4.11Å; K187-E295 WeakPolarHBondContact CD-OE1 3.45Å; K187-E295 IonicContact NZ-OE1 2.84Å; K187-E295 PolarHBondContact NZ-OE1 3.21Å; L188-E295 HydrophobicContact CD1-CB 4.08Å; L188-E295 HydrophobicContact CD2-CB 4.01Å; L188-E295 HydrophobicContact CG-CB 3.85Å; S258-E295 PolarHBondContact OG-OE1 2.95Å; T293-E295 PolarHBondContact O-N 2.87Å; T293-E295 VanDerWaalsContact O-N 3.15Å; E295-D297 VanDerWaalsContact C-N 3.33Å; E295-D297 PolarHBondContact O-N 2.78Å; E295-V298 PolarHBondContact O-N 3.24Å; E295-I299 HydrophobicContact CG-CD1 4.26Å; E295-I299 WeakPolarHBondContact O-CG1 3.38Å; E295-I299 PolarHBondContact O-N 3.03Å
296Q92.3Very high89Confident10 Ų1043.8 Ų43.85%0.04720%0.202CC..Hα-helixtrans-64.1-39179.5174.6175.9-53.100111E235 W249 Y256 N257 S258 T293 G294 V298 I299 N300E235-Q296 PolarHBondContact OE2-NE2 3.43Å; W249-Q296 HydrophobicContact CH2-CG 3.91Å; W249-Q296 HydrophobicContact CZ3-CG 4.22Å; Y256-Q296 VanDerWaalsContact O-CD 3.23Å; Y256-Q296 VanDerWaalsContact O-CG 3.22Å; Y256-Q296 WeakPolarHBondContact O-CG 3.33Å; Y256-Q296 PolarHBondContact O-NE2 3.46Å; N257-Q296 VanDerWaalsContact CA-OE1 3.29Å; N257-Q296 PolarHBondContact ND2-OE1 2.78Å; S258-Q296 PolarHBondContact OG-OE1 3.23Å; T293-Q296 PolarHBondContact O-N 3.02Å; T293-Q296 VanDerWaalsContact OG1-CB 3.3Å; T293-Q296 WeakPolarHBondContact OG1-CB 3.23Å; G294-Q296 VanDerWaalsContact C-N 3.27Å; G294-Q296 PolarHBondContact O-N 2.65Å; Q296-V298 VanDerWaalsContact C-N 3.29Å; Q296-V298 PolarHBondContact O-N 3.5Å; Q296-I299 PolarHBondContact O-N 3.43Å; Q296-N300 WeakPolarHBondContact CG-ND2 3.4Å; Q296-N300 WeakPolarHBondContact O-CB 3.34Å; Q296-N300 PolarHBondContact O-N 3.12Å; Q296-N300 PolarHBondContact O-ND2 3.36Å
297D89.7Confident89.5Confident6 Ų641.9 Ų41.93%0.03219%0.192CC..Hα-helixtrans-57.2-45173.5-59.628.8000110.7W249 L291 P292 T293 G294 E295 N300 A301W249-D297 HydrophobicContact CH2-CB 4.5Å; W249-D297 VanDerWaalsContact CH2-OD1 3.29Å; W249-D297 WeakPolarHBondContact CH2-OD1 3.38Å; W249-D297 HydrophobicContact CZ2-CB 4.3Å; W249-D297 WeakPolarHBondContact CZ2-OD1 3.35Å; L291-D297 WeakPolarHBondContact CA-OD2 3.45Å; L291-D297 HydrophobicContact CB-CB 4.19Å; L291-D297 VanDerWaalsContact CB-OD2 3.27Å; L291-D297 WeakPolarHBondContact CB-OD2 3.22Å; L291-D297 HydrophobicContact CD1-CB 4.3Å; P292-D297 WeakPolarHBondContact CD-OD2 3.25Å; T293-D297 VanDerWaalsContact CA-OD1 3.28Å; T293-D297 WeakPolarHBondContact CA-OD1 3.04Å; T293-D297 WeakPolarHBondContact CB-OD1 3.25Å; T293-D297 PolarHBondContact N-OD1 2.84Å; T293-D297 PolarHBondContact OG1-OD1 2.92Å; G294-D297 PolarHBondContact O-N 3.12Å; E295-D297 VanDerWaalsContact C-N 3.33Å; E295-D297 PolarHBondContact O-N 2.78Å; D297-N300 PolarHBondContact O-N 3.19Å; D297-A301 WeakPolarHBondContact O-CB 3.37Å; D297-A301 PolarHBondContact O-N 3.1Å
298V92.7Very high90Very high0 Ų040.4 Ų40.40%019%0.185CC..Hα-helixtrans-66.4-45.7-179-175.60000110.8Y185 L188 W277 T280 A281 L284 L291 E295 Q296 N300 A301 V302Y185-V298 HydrophobicContact CE1-CG2 4.17Å; L188-V298 HydrophobicContact CD1-CB 3.95Å; L188-V298 HydrophobicContact CD1-CG1 3.95Å; L188-V298 HydrophobicContact CD1-CG2 4.12Å; L188-V298 HydrophobicContact CD2-CB 4.48Å; W277-V298 HydrophobicContact CB-CG1 4.13Å; T280-V298 HydrophobicContact CG2-CG1 4.36Å; A281-V298 HydrophobicContact CB-CG1 4.01Å; A281-V298 HydrophobicContact CB-CG2 3.73Å; L284-V298 HydrophobicContact CD1-CG2 4.28Å; L291-V298 HydrophobicContact CD1-CG2 3.73Å; E295-V298 PolarHBondContact O-N 3.24Å; Q296-V298 VanDerWaalsContact C-N 3.29Å; Q296-V298 PolarHBondContact O-N 3.5Å; V298-N300 VanDerWaalsContact C-N 3.35Å; V298-N300 PolarHBondContact O-N 3.33Å; V298-A301 PolarHBondContact O-N 3.06Å; V298-V302 HydrophobicContact CG1-CG2 4.48Å; V298-V302 WeakPolarHBondContact O-CG2 3.16Å; V298-V302 PolarHBondContact O-N 3.36Å
299I95.8Very high90.9Very high7 Ų739.6 Ų39.64%0.03618%0.181CC..Hα-helixtrans-59.3-47.8177.7-68.5166.3000110.2L188 I232 L261 W273 E295 Q296 A301 V302 L303L188-I299 HydrophobicContact CD2-CD1 4.08Å; L188-I299 HydrophobicContact CD2-CG1 3.66Å; I232-I299 HydrophobicContact CD1-CG2 4.05Å; L261-I299 HydrophobicContact CD1-CD1 3.98Å; L261-I299 HydrophobicContact CD2-CD1 4.22Å; W273-I299 HydrophobicContact CH2-CG1 4.36Å; E295-I299 HydrophobicContact CG-CD1 4.26Å; E295-I299 WeakPolarHBondContact O-CG1 3.38Å; E295-I299 PolarHBondContact O-N 3.03Å; Q296-I299 PolarHBondContact O-N 3.43Å; I299-A301 VanDerWaalsContact C-N 3.33Å; I299-A301 PolarHBondContact O-N 3.28Å; I299-V302 PolarHBondContact O-N 2.97Å; I299-L303 HydrophobicContact CG2-CD1 3.86Å; I299-L303 HydrophobicContact CG2-CG 4.36Å; I299-L303 WeakPolarHBondContact O-CB 3.19Å; I299-L303 WeakPolarHBondContact O-CG 3.19Å; I299-L303 PolarHBondContact O-N 3.02Å
300N93.8Very high91.8Very high1 Ų130.7 Ų30.71%0.00515%0.149CC..Hα-helixtrans-60.2-43.1178.2-82.2-81.3000111.9W249 P250 T251 G255 Y256 Q296 D297 V298 L303 N304W249-N300 HydrophobicContact CE3-CB 4.07Å; W249-N300 HydrophobicContact CZ3-CB 4.01Å; W249-N300 WeakPolarHBondContact CZ3-ND2 3.47Å; P250-N300 CarbonylContact O-C 3.49Å; T251-N300 PolarHBondContact OG1-OD1 3.16Å; G255-N300 WeakPolarHBondContact CA-OD1 3.02Å; Y256-N300 WeakPolarHBondContact CD2-OD1 3.45Å; Y256-N300 PolarHBondContact N-OD1 3.33Å; Y256-N300 PolarHBondContact O-ND2 3.21Å; Q296-N300 WeakPolarHBondContact CG-ND2 3.4Å; Q296-N300 WeakPolarHBondContact O-CB 3.34Å; Q296-N300 PolarHBondContact O-N 3.12Å; Q296-N300 PolarHBondContact O-ND2 3.36Å; D297-N300 PolarHBondContact O-N 3.19Å; V298-N300 VanDerWaalsContact C-N 3.35Å; V298-N300 PolarHBondContact O-N 3.33Å; N300-L303 PolarHBondContact O-N 2.64Å; N300-N304 WeakPolarHBondContact O-CB 3.12Å; N300-N304 PolarHBondContact O-N 3.11Å
301A93.4Very high92.8Very high1 Ų127.4 Ų27.41%0.00813%0.13CC..Hα-helixtrans-63.2-41.2176.900000113.5P250 T280 L284 D297 V298 I299 K305P250-A301 HydrophobicContact CG-CB 3.67Å; P250-A301 VanDerWaalsContact O-CA 3.25Å; P250-A301 WeakPolarHBondContact O-CA 3.45Å; P250-A301 PolarHBondContact O-N 3.14Å; T280-A301 HydrophobicContact CG2-CB 3.51Å; L284-A301 HydrophobicContact CD1-CB 3.68Å; L284-A301 HydrophobicContact CD2-CB 4.33Å; L284-A301 HydrophobicContact CG-CB 4.38Å; D297-A301 WeakPolarHBondContact O-CB 3.37Å; D297-A301 PolarHBondContact O-N 3.1Å; V298-A301 PolarHBondContact O-N 3.06Å; I299-A301 VanDerWaalsContact C-N 3.33Å; I299-A301 PolarHBondContact O-N 3.28Å; A301-K305 PolarHBondContact O-N 2.85Å
302V96.6Very high93.6Very high0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-66-44.6175.8175.70000110.6W273 I276 W277 T280 V298 I299 N304 K305 N306 W309W273-V302 HydrophobicContact CE3-CG1 4.36Å; W273-V302 HydrophobicContact CZ3-CB 4.13Å; W273-V302 HydrophobicContact CZ3-CG1 3.69Å; W273-V302 HydrophobicContact CZ3-CG2 4.27Å; I276-V302 HydrophobicContact CG2-CG1 3.75Å; I276-V302 HydrophobicContact CG2-CG2 4.07Å; W277-V302 HydrophobicContact CB-CG2 4.45Å; T280-V302 HydrophobicContact CG2-CG2 3.9Å; V298-V302 HydrophobicContact CG1-CG2 4.48Å; V298-V302 WeakPolarHBondContact O-CG2 3.16Å; V298-V302 PolarHBondContact O-N 3.36Å; I299-V302 PolarHBondContact O-N 2.97Å; V302-N304 PolarHBondContact O-N 2.95Å; V302-K305 PolarHBondContact O-N 3.21Å; V302-N306 WeakPolarHBondContact O-CB 3.37Å; V302-N306 PolarHBondContact O-N 3.45Å; V302-N306 PolarHBondContact O-ND2 3.22Å; V302-W309 HydrophobicContact CG1-CE3 4.2Å; V302-W309 HydrophobicContact CG1-CZ3 3.96Å
303L96.2Very high94.5Very high0 Ų030.9 Ų30.90%014%0.143CC..Hα-helixtrans-66.1-35.3178.6-70.4176.2000112.6I230 I232 Y256 I299 N300 K305 N306 K307 W309 L310I230-L303 HydrophobicContact CB-CD2 4.25Å; I230-L303 HydrophobicContact CD1-CD2 4.1Å; I230-L303 HydrophobicContact CG2-CD1 4.38Å; I232-L303 HydrophobicContact CG2-CD1 3.92Å; Y256-L303 HydrophobicContact CD2-CD1 4.27Å; I299-L303 HydrophobicContact CG2-CD1 3.86Å; I299-L303 HydrophobicContact CG2-CG 4.36Å; I299-L303 WeakPolarHBondContact O-CB 3.19Å; I299-L303 WeakPolarHBondContact O-CG 3.19Å; I299-L303 PolarHBondContact O-N 3.02Å; N300-L303 PolarHBondContact O-N 2.64Å; L303-K305 PolarHBondContact O-N 3.14Å; L303-N306 CarbonylContact O-C 3.38Å; L303-N306 PolarHBondContact O-N 2.8Å; L303-K307 VanDerWaalsContact O-CA 3.25Å; L303-K307 WeakPolarHBondContact O-CA 3.38Å; L303-K307 PolarHBondContact O-N 2.81Å; L303-W309 HydrophobicContact CD2-CB 4.15Å; L303-L310 HydrophobicContact CD1-CD1 4.17Å; L303-L310 HydrophobicContact CD2-CB 4.12Å
304N93Very high95.2Very high46 Ų4632.8 Ų32.825%0.24616%0.156CC..Hα-helixtrans-61.3-35.7174.7-173.639000112.3P250 L252 N300 V302 K307P250-N304 WeakPolarHBondContact O-CB 3.27Å; L252-N304 WeakPolarHBondContact CD2-OD1 3.23Å; N300-N304 WeakPolarHBondContact O-CB 3.12Å; N300-N304 PolarHBondContact O-N 3.11Å; V302-N304 PolarHBondContact O-N 2.95Å; N304-K307 VanDerWaalsContact O-CE 3.31Å; N304-K307 WeakPolarHBondContact O-CE 3.32Å; N304-K307 WeakPolarHBondContact O-CG 3.22Å
305K94.7Very high95.7Very high135 Ų13535 Ų3559%0.58717%0.171SC*.Hα-helixtrans-81.9-25.6175-67.1-179.8-178.4175.60113.4A301 V302 L303A301-K305 PolarHBondContact O-N 2.85Å; V302-K305 PolarHBondContact O-N 3.21Å; L303-K305 PolarHBondContact O-N 3.14Å
306N96.9Very high95.8Very high35 Ų3537.9 Ų37.919%0.18718%0.183CC..  trans-127.657.9-174.9-57.4-83.7000110.9V302 L303 Q308 W309V302-N306 WeakPolarHBondContact O-CB 3.37Å; V302-N306 PolarHBondContact O-N 3.45Å; V302-N306 PolarHBondContact O-ND2 3.22Å; L303-N306 CarbonylContact O-C 3.38Å; L303-N306 PolarHBondContact O-N 2.8Å; N306-Q308 PolarHBondContact O-N 3.36Å; N306-Q308 VanDerWaalsContact O-N 3.08Å; N306-W309 HydrophobicContact CB-CB 4.47Å; N306-W309 HydrophobicContact CB-CD2 3.65Å; N306-W309 HydrophobicContact CB-CE3 3.98Å; N306-W309 HydrophobicContact CB-CG 3.9Å; N306-W309 HydrophobicContact CB-CZ2 4.44Å; N306-W309 VanDerWaalsContact O-CB 3.31Å; N306-W309 WeakPolarHBondContact O-CB 3.39Å; N306-W309 PolarHBondContact O-N 3.14Å
307K96.8Very high96.1Very high124 Ų12437.6 Ų37.654%0.53918%0.182SC..G310 helixtrans-56.8-31.1-170.9-48-170.5-176.6-170.60113.3L252 L303 N304 W309 L310L252-K307 HydrophobicContact CD1-CB 4.11Å; L252-K307 HydrophobicContact CD1-CD 4.39Å; L252-K307 HydrophobicContact CD1-CG 4.01Å; L252-K307 HydrophobicContact CD2-CD 3.48Å; L252-K307 VanDerWaalsContact CD2-CD 3.48Å; L252-K307 VanDerWaalsContact CD2-CE 3.42Å; L252-K307 HydrophobicContact CD2-CG 3.79Å; L252-K307 HydrophobicContact CG-CG 4.49Å; L303-K307 VanDerWaalsContact O-CA 3.25Å; L303-K307 WeakPolarHBondContact O-CA 3.38Å; L303-K307 PolarHBondContact O-N 2.81Å; N304-K307 VanDerWaalsContact O-CE 3.31Å; N304-K307 WeakPolarHBondContact O-CE 3.32Å; N304-K307 WeakPolarHBondContact O-CG 3.22Å; K307-W309 PolarHBondContact O-N 3.35Å; K307-L310 WeakPolarHBondContact O-CB 3.37Å; K307-L310 PolarHBondContact O-N 2.94Å
308Q98Very high96.5Very high101 Ų10137.3 Ų37.347%0.47218%0.181SC..G310 helixtrans-66.8-14.2177.774.1-74.513.900114D227 Q228 N306D227-Q308 CarbonylContact C-O 3.58Å; D227-Q308 VanDerWaalsContact C-O 3.23Å; D227-Q308 HydrophobicContact CB-CB 4.15Å; D227-Q308 HydrophobicContact CB-CG 4.13Å; Q228-Q308 PolarHBondContact N-O 3.06Å; N306-Q308 PolarHBondContact O-N 3.36Å; N306-Q308 VanDerWaalsContact O-N 3.08Å
309W98.6Very high96.7Very high16 Ų1637.5 Ų37.56%0.06118%0.181CC..G310 helixtrans-81.1-19.2175.7-674.5000113.4Q228 C229 I230 L268 R271 W273 I276 V302 L303 N306 K307Q228-W309 WeakPolarHBondContact CA-O 3.01Å; C229-W309 PolarHBondContact N-O 2.88Å; I230-W309 PolarHBondContact N-O 2.86Å; L268-W309 HydrophobicContact CD2-CE3 4.21Å; L268-W309 HydrophobicContact CD2-CZ3 4.24Å; R271-W309 HydrophobicContact CB-CH2 3.85Å; R271-W309 HydrophobicContact CB-CZ2 3.7Å; R271-W309 HydrophobicContact CG-CZ2 4.04Å; W273-W309 HydrophobicContact CE3-CZ3 4.07Å; I276-W309 HydrophobicContact CD1-CH2 3.57Å; I276-W309 HydrophobicContact CD1-CZ2 4.35Å; I276-W309 HydrophobicContact CD1-CZ3 4.44Å; V302-W309 HydrophobicContact CG1-CE3 4.2Å; V302-W309 HydrophobicContact CG1-CZ3 3.96Å; L303-W309 HydrophobicContact CD2-CB 4.15Å; N306-W309 HydrophobicContact CB-CB 4.47Å; N306-W309 HydrophobicContact CB-CD2 3.65Å; N306-W309 HydrophobicContact CB-CE3 3.98Å; N306-W309 HydrophobicContact CB-CG 3.9Å; N306-W309 HydrophobicContact CB-CZ2 4.44Å; N306-W309 VanDerWaalsContact O-CB 3.31Å; N306-W309 WeakPolarHBondContact O-CB 3.39Å; N306-W309 PolarHBondContact O-N 3.14Å; K307-W309 PolarHBondContact O-N 3.35Å
310L98.6Very high96.6Very high20 Ų2037.3 Ų37.311%0.10518%0.18CC..EExtended strand (participates in β ladder)trans-77.1124.8-176.9170.868.6000111.2Q228 I232 L252 Y256 L303 K307Q228-L310 VanDerWaalsContact CG-O 3.31Å; Q228-L310 WeakPolarHBondContact CG-O 3.35Å; Q228-L310 PolarHBondContact NE2-O 3.41Å; I232-L310 HydrophobicContact CG2-CD1 3.54Å; L252-L310 HydrophobicContact CD1-CD2 3.9Å; Y256-L310 HydrophobicContact CD1-CD1 4.44Å; Y256-L310 HydrophobicContact CE1-CD1 4.05Å; Y256-L310 HydrophobicContact CE1-CD2 4.22Å; Y256-L310 HydrophobicContact CE2-CD1 4.11Å; Y256-L310 HydrophobicContact CE2-CD2 3.8Å; Y256-L310 VanDerWaalsContact CZ-CD2 3.43Å; Y256-L310 WeakPolarHBondContact OH-CD2 3.42Å; L303-L310 HydrophobicContact CD1-CD1 4.17Å; L303-L310 HydrophobicContact CD2-CB 4.12Å; K307-L310 WeakPolarHBondContact O-CB 3.37Å; K307-L310 PolarHBondContact O-N 2.94Å
311Y98.7Very high96.6Very high22 Ų2237.5 Ų37.59%0.08618%0.181CC..EExtended strand (participates in β ladder)trans-104.3117152.5176.6-85.1000108L220 E223 F224 I230 G231 I232 L313L220-Y311 HydrophobicContact CB-CE1 4.35Å; E223-Y311 HydrophobicContact CB-CE2 3.67Å; E223-Y311 PolarHBondContact OE2-OH 3.46Å; F224-Y311 AromaticContact CD1-CD1 3.92Å; F224-Y311 HydrophobicContact CD1-CD1 3.92Å; F224-Y311 AromaticContact CD1-CD2 3.59Å; F224-Y311 HydrophobicContact CD1-CD2 3.59Å; F224-Y311 HydrophobicContact CD1-CE1 4.44Å; F224-Y311 HydrophobicContact CD1-CE2 4.16Å; F224-Y311 AromaticContact CD1-CG 3.46Å; F224-Y311 HydrophobicContact CD1-CG 3.46Å; F224-Y311 VanDerWaalsContact CD1-CG 3.46Å; F224-Y311 AromaticContact CE1-CD1 3.34Å; F224-Y311 HydrophobicContact CE1-CD1 3.34Å; F224-Y311 AromaticContact CE1-CD2 3.93Å; F224-Y311 HydrophobicContact CE1-CD2 3.93Å; F224-Y311 AromaticContact CE1-CE1 3.98Å; F224-Y311 HydrophobicContact CE1-CE1 3.98Å; F224-Y311 HydrophobicContact CE1-CE2 4.49Å; F224-Y311 AromaticContact CE1-CG 3.31Å; F224-Y311 HydrophobicContact CE1-CG 3.31Å; F224-Y311 HydrophobicContact CG-CD2 4.48Å; F224-Y311 HydrophobicContact CG-CG 4.4Å; F224-Y311 HydrophobicContact CZ-CD1 4.15Å; F224-Y311 HydrophobicContact CZ-CG 4.13Å; I230-Y311 PolarHBondContact O-N 3.32Å; G231-Y311 WeakPolarHBondContact CA-O 3.34Å; I232-Y311 PolarHBondContact N-O 2.81Å; I232-Y311 VanDerWaalsContact N-O 3.11Å; Y311-L313 HydrophobicContact CD1-CD2 3.81Å; Y311-L313 HydrophobicContact CE1-CD2 3.75Å; Y311-L313 PolarHBondContact O-N 2.93Å
312E98.3Very high96.3Very high107 Ų10738 Ų3850%0.519%0.185SC..EExtended strand (participates in β ladder)trans-81.7115.1179.5-175.1164.7131.300109.7Y256Y256-E312 HydrophobicContact CE1-CB 4.47Å; Y256-E312 HydrophobicContact CE1-CG 3.89Å; Y256-E312 VanDerWaalsContact CE1-OE2 3.25Å; Y256-E312 WeakPolarHBondContact CE1-OE2 3.45Å; Y256-E312 PolarHBondContact OH-OE2 2.97Å
313L98.6Very high95.6Very high3 Ų342.2 Ų42.22%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-67.6141.5178.7-58.4176.6000109.9L220 I232 A233 I260 L262 Y311 C315L220-L313 HydrophobicContact CD1-CD2 3.83Å; I232-L313 PolarHBondContact O-N 3.35Å; A233-L313 HydrophobicContact CB-CB 4.06Å; A233-L313 HydrophobicContact CB-CD1 4.36Å; I260-L313 HydrophobicContact CD1-CD1 4.26Å; I260-L313 HydrophobicContact CG1-CD1 4.14Å; I260-L313 HydrophobicContact CG2-CD1 4.09Å; L262-L313 HydrophobicContact CD1-CD1 4.2Å; L262-L313 HydrophobicContact CD1-CD2 4.33Å; L262-L313 HydrophobicContact CD2-CD2 4.01Å; Y311-L313 HydrophobicContact CD1-CD2 3.81Å; Y311-L313 HydrophobicContact CE1-CD2 3.75Å; Y311-L313 PolarHBondContact O-N 2.93Å; L313-C315 PolarHBondContact O-N 3.27Å
314P97.6Very high95Very high52 Ų5248.4 Ų48.434%0.33825%0.247SC..  trans-52.8130.7167.8-25.232.8000110.8K316 W317P314-K316 HydrophobicContact CB-CG 4.19Å; P314-K316 PolarHBondContact O-N 3.18Å; P314-W317 WeakPolarHBondContact O-CB 3.48Å; P314-W317 PolarHBondContact O-N 3.47Å
315C96.4Very high94.8Very high46 Ų4646.7 Ų46.731%0.31124%0.239SC..G310 helixtrans-56.6-26.5-169.9690000114.4L313 W317 N318 I319 C330L313-C315 PolarHBondContact O-N 3.27Å; C315-W317 PolarHBondContact O-N 3.01Å; C315-N318 CarbonylContact O-C 3.59Å; C315-N318 PolarHBondContact O-N 3.15Å; C315-I319 WeakPolarHBondContact O-CD1 3.45Å; C315-C330 HydrophobicContact CB-CB 3.58Å; C315-C330 WeakPolarHBondContact CB-SG 3.44Å; C315-C330 WeakPolarHBondContact SG-CB 3.28Å; C315-C330 CovalentContact SG-SG 2.02Å; C315-C330 PolarHBondContact SG-SG 3.28Å
316K95.8Very high94.5Very high63 Ų6343.5 Ų43.527%0.27423%0.227SC..G310 helixtrans-57.8-16.3173.366-174.6176.5-171.30114.8P314 C330 V332 P359 K362 L363P314-K316 HydrophobicContact CB-CG 4.19Å; P314-K316 PolarHBondContact O-N 3.18Å; K316-C330 PolarHBondContact N-SG 3.41Å; K316-V332 HydrophobicContact CB-CG1 4.33Å; K316-P359 HydrophobicContact CD-CB 4.1Å; K316-K362 HydrophobicContact CD-CD 4.01Å; K316-K362 HydrophobicContact CD-CG 4.16Å; K316-K362 HydrophobicContact CG-CD 4.16Å; K316-K362 HydrophobicContact CG-CG 4.16Å; K316-K362 WeakPolarHBondContact O-CA 3.13Å; K316-K362 WeakPolarHBondContact O-CB 3.43Å; K316-K362 PolarHBondContact O-N 2.78Å; K316-L363 PolarHBondContact O-N 3.43Å; K316-L363 VanDerWaalsContact O-N 3.16Å
317W97.8Very high94.1Very high4 Ų444.9 Ų44.92%0.01523%0.23CC..G310 helixtrans-90.14.6174.1-70.8116.5000114L210 D212 N216 L217 P314 C315 K362 L363L210-W317 HydrophobicContact CD1-CZ3 4.17Å; D212-W317 HydrophobicContact CB-CH2 4.01Å; D212-W317 HydrophobicContact CB-CZ3 4.17Å; N216-W317 HydrophobicContact CB-CH2 3.91Å; N216-W317 HydrophobicContact CB-CZ2 3.98Å; L217-W317 HydrophobicContact CB-CE3 4.14Å; L217-W317 HydrophobicContact CB-CH2 3.7Å; L217-W317 HydrophobicContact CB-CZ2 4.17Å; L217-W317 HydrophobicContact CB-CZ3 3.69Å; L217-W317 HydrophobicContact CD1-CB 4.43Å; L217-W317 HydrophobicContact CD1-CD2 3.76Å; L217-W317 HydrophobicContact CD1-CE3 3.82Å; L217-W317 HydrophobicContact CD1-CG 4.09Å; L217-W317 HydrophobicContact CD1-CZ3 4.26Å; L217-W317 HydrophobicContact CD2-CE3 4.5Å; L217-W317 HydrophobicContact CG-CE3 4.36Å; L217-W317 HydrophobicContact CG-CZ3 4.39Å; P314-W317 WeakPolarHBondContact O-CB 3.48Å; P314-W317 PolarHBondContact O-N 3.47Å; C315-W317 PolarHBondContact O-N 3.01Å; W317-K362 HydrophobicContact CD2-CB 3.81Å; W317-K362 HydrophobicContact CD2-CD 3.86Å; W317-K362 HydrophobicContact CD2-CG 4.48Å; W317-K362 HydrophobicContact CE3-CB 3.49Å; W317-K362 VanDerWaalsContact CE3-CB 3.49Å; W317-K362 HydrophobicContact CE3-CD 4.18Å; W317-K362 HydrophobicContact CH2-CB 4.1Å; W317-K362 HydrophobicContact CH2-CD 3.72Å; W317-K362 HydrophobicContact CZ2-CB 4.4Å; W317-K362 HydrophobicContact CZ2-CD 3.37Å; W317-K362 HydrophobicContact CZ3-CB 3.62Å; W317-K362 HydrophobicContact CZ3-CD 4.1Å; W317-L363 HydrophobicContact CE3-CB 4.29Å; W317-L363 WeakPolarHBondContact O-CB 3.17Å; W317-L363 WeakPolarHBondContact O-CD2 3.4Å
318N97.4Very high93.8Very high1 Ų143.8 Ų43.81%0.00523%0.227CC..  trans-156.767.9169.8-161.817.8000112.3A233 Q236 N257 I260 C315 Q320 H365A233-N318 HydrophobicContact CB-CB 3.31Å; Q236-N318 PolarHBondContact OE1-O 3.44Å; N257-N318 PolarHBondContact OD1-ND2 3.08Å; N257-N318 VanDerWaalsContact OD1-ND2 3.13Å; I260-N318 HydrophobicContact CG2-CB 3.66Å; C315-N318 CarbonylContact O-C 3.59Å; C315-N318 PolarHBondContact O-N 3.15Å; N318-Q320 PolarHBondContact O-N 3.1Å; N318-Q320 PolarHBondContact O-NE2 3.33Å; N318-H365 WeakPolarHBondContact OD1-CB 3.41Å; N318-H365 PolarHBondContact OD1-ND1 2.83Å
319I96.8Very high93.5Very high3 Ų343 Ų432%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-76.8107.6179.1-59.1-61.2000110C315 L321 C330 V332 A361 L363 H365 L398C315-I319 WeakPolarHBondContact O-CD1 3.45Å; I319-L321 HydrophobicContact CG2-CD2 4.38Å; I319-C330 HydrophobicContact CD1-CB 3.88Å; I319-C330 WeakPolarHBondContact CD1-SG 3.46Å; I319-V332 HydrophobicContact CD1-CB 4.3Å; I319-V332 HydrophobicContact CD1-CG1 3.58Å; I319-V332 HydrophobicContact CD1-CG2 3.73Å; I319-V332 HydrophobicContact CG1-CG1 4.28Å; I319-V332 HydrophobicContact CG1-CG2 3.98Å; I319-V332 HydrophobicContact CG2-CG2 4.15Å; I319-A361 HydrophobicContact CG1-CB 3.95Å; I319-L363 PolarHBondContact N-O 3.16Å; I319-H365 PolarHBondContact O-N 3.35Å; I319-L398 HydrophobicContact CG2-CD1 3.8Å
320Q95.3Very high93.3Very high3 Ų342.4 Ų42.41%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-90.3134-171.5-68.3150.745.700111.4A234 E235 Q236 N318 S325 H365A234-Q320 PolarHBondContact O-NE2 3.47Å; E235-Q320 PolarHBondContact OE1-OE1 2.81Å; Q236-Q320 HydrophobicContact CB-CB 4.2Å; N318-Q320 PolarHBondContact O-N 3.1Å; N318-Q320 PolarHBondContact O-NE2 3.33Å; Q320-S325 WeakPolarHBondContact CB-OG 2.93Å; Q320-S325 VanDerWaalsContact O-CB 3.3Å; Q320-S325 WeakPolarHBondContact O-CB 3.44Å; Q320-H365 WeakPolarHBondContact CA-O 3.39Å
321L92.5Very high93Very high5 Ų543.5 Ų43.53%0.02623%0.226CC..  trans-113.614.8-174.3-57.8-177.8000114.5I319 I364 H365 F366 N367 T395 L398 Y402I319-L321 HydrophobicContact CG2-CD2 4.38Å; L321-I364 HydrophobicContact CD1-CG2 3.37Å; L321-I364 HydrophobicContact CG-CG2 3.96Å; L321-H365 PolarHBondContact N-O 3.26Å; L321-F366 HydrophobicContact CB-CD2 4.05Å; L321-F366 HydrophobicContact CD1-CD2 3.81Å; L321-F366 HydrophobicContact CD1-CE2 4.49Å; L321-N367 PolarHBondContact N-OD1 2.94Å; L321-T395 HydrophobicContact CB-CG2 4.48Å; L321-T395 HydrophobicContact CD2-CG2 4.01Å; L321-L398 HydrophobicContact CD1-CB 4.42Å; L321-L398 HydrophobicContact CD2-CB 3.54Å; L321-L398 HydrophobicContact CD2-CD1 4.12Å; L321-L398 HydrophobicContact CD2-CG 4.5Å; L321-Y402 HydrophobicContact CD1-CD2 4.43Å; L321-Y402 HydrophobicContact CD1-CG 4.33Å
322S88Confident92.7Very high12 Ų1242.5 Ų42.58%0.08422%0.222CC..SBendtrans-62.5157.217374.20000112.2F324 S325 N367S322-F324 PolarHBondContact O-N 3.31Å; S322-S325 WeakPolarHBondContact O-CB 3.3Å; S322-S325 PolarHBondContact O-N 2.97Å; S322-S325 PolarHBondContact OG-OG 2.88Å; S322-N367 VanDerWaalsContact CB-O 3.27Å; S322-N367 WeakPolarHBondContact CB-O 3.35Å; S322-N367 WeakPolarHBondContact CB-OD1 3.43Å; S322-N367 PolarHBondContact N-OD1 3.36Å
323A81Confident92.2Very high89 Ų8937.4 Ų37.474%0.73620%0.198SC*.THydrogen-bonded Turntrans-56.7-26.7-171.900000114.9
324F83.9Confident91.5Very high130 Ų13037.3 Ų37.357%0.5720%0.198SC*.THydrogen-bonded Turntrans-110.77.8-177.5-56.7-68.9000113.2N237 T239 S322 I326N237-F324 VanDerWaalsContact CG-CB 3.47Å; N237-F324 WeakPolarHBondContact OD1-CB 3.23Å; N237-F324 PolarHBondContact OD1-O 3.32Å; T239-F324 HydrophobicContact CG2-CB 3.77Å; T239-F324 HydrophobicContact CG2-CD1 4.13Å; T239-F324 HydrophobicContact CG2-CG 3.9Å; S322-F324 PolarHBondContact O-N 3.31Å; F324-I326 PolarHBondContact O-N 2.88Å
325S88.9Confident90.2Very high10 Ų1036.6 Ų36.67%0.0719%0.19CC..  trans-67.4126.3172.2-68.40000110.4Q320 S322Q320-S325 WeakPolarHBondContact CB-OG 2.93Å; Q320-S325 VanDerWaalsContact O-CB 3.3Å; Q320-S325 WeakPolarHBondContact O-CB 3.44Å; S322-S325 WeakPolarHBondContact O-CB 3.3Å; S322-S325 PolarHBondContact O-N 2.97Å; S322-S325 PolarHBondContact OG-OG 2.88Å
326I89.3Confident88.5Confident67 Ų6735.9 Ų35.934%0.34418%0.182SC..  trans-93116.9-179.4-62-169.2000109.5Q236 P238 F324 E328 R329Q236-I326 PolarHBondContact NE2-O 3.17Å; Q236-I326 PolarHBondContact O-N 3.08Å; P238-I326 HydrophobicContact CG-CD1 3.48Å; P238-I326 VanDerWaalsContact CG-CD1 3.48Å; P238-I326 HydrophobicContact CG-CG1 3.99Å; F324-I326 PolarHBondContact O-N 2.88Å; I326-E328 VanDerWaalsContact C-N 3.25Å; I326-E328 HydrophobicContact CG2-CB 3.93Å; I326-E328 HydrophobicContact CG2-CG 4.47Å; I326-E328 WeakPolarHBondContact CG2-OE2 3.07Å; I326-E328 PolarHBondContact O-N 2.93Å; I326-R329 HydrophobicContact CB-CG 4.16Å; I326-R329 HydrophobicContact CG2-CG 4.24Å; I326-R329 WeakPolarHBondContact O-CB 3.29Å; I326-R329 PolarHBondContact O-N 3.21Å
327R87.7Confident86.2Confident64 Ų6438.1 Ų38.124%0.24220%0.196CC..G310 helixtrans-61.2-33-178.865.6169.4-164133.73.1112.6R329 C330 E391 Y392R327-R329 PolarHBondContact O-N 3.49Å; R327-R329 VanDerWaalsContact O-N 3.12Å; R327-C330 CarbonylContact O-C 3.54Å; R327-C330 PolarHBondContact O-N 2.86Å; R327-E391 IonicContact NH1-OE2 2.67Å; R327-E391 IonicContact NH2-OE2 2.91Å; R327-Y392 HydrophobicContact CB-CE2 4.02Å; R327-Y392 HydrophobicContact CG-CE2 3.73Å; R327-Y392 PolarHBondContact NH1-O 2.95Å; R327-Y392 PolarHBondContact NH2-OH 3.47Å
328E90.8Very high83.6Confident102 Ų10240.6 Ų40.648%0.47721%0.208SC..G310 helixtrans-62.4-21.2-178.9-67.364.1-15300112I326 C330 Y392I326-E328 VanDerWaalsContact C-N 3.25Å; I326-E328 HydrophobicContact CG2-CB 3.93Å; I326-E328 HydrophobicContact CG2-CG 4.47Å; I326-E328 WeakPolarHBondContact CG2-OE2 3.07Å; I326-E328 PolarHBondContact O-N 2.93Å; E328-C330 VanDerWaalsContact C-N 3.33Å; E328-Y392 WeakPolarHBondContact CG-OH 2.84Å; E328-Y392 PolarHBondContact OE1-OH 2.87Å
329R91Very high80.6Confident84 Ų8444.8 Ų44.832%0.31723%0.231SC..G310 helixtrans-75.2-22.3176.8-65.1176.664.379.8-1.1113.2E235 Q236 Y254 I326 R327E235-R329 PolarHBondContact O-NE 3.34Å; E235-R329 VanDerWaalsContact O-NE 3.12Å; E235-R329 PolarHBondContact O-NH2 2.94Å; Q236-R329 HydrophobicContact CG-CB 4.49Å; Q236-R329 WeakPolarHBondContact O-CD 3.34Å; Y254-R329 VanDerWaalsContact CD2-NH2 3.27Å; I326-R329 HydrophobicContact CB-CG 4.16Å; I326-R329 HydrophobicContact CG2-CG 4.24Å; I326-R329 WeakPolarHBondContact O-CB 3.29Å; I326-R329 PolarHBondContact O-N 3.21Å; R327-R329 PolarHBondContact O-N 3.49Å; R327-R329 VanDerWaalsContact O-N 3.12Å
330C94.6Very high77.8Confident3 Ų350.5 Ų50.52%0.0226%0.261CS..SBendtrans-148.480.7171.8-166.80000109.6Q236 C315 K316 I319 R327 E328 V332Q236-C330 VanDerWaalsContact NE2-CB 3.28Å; C315-C330 HydrophobicContact CB-CB 3.58Å; C315-C330 WeakPolarHBondContact CB-SG 3.44Å; C315-C330 WeakPolarHBondContact SG-CB 3.28Å; C315-C330 CovalentContact SG-SG 2.02Å; C315-C330 PolarHBondContact SG-SG 3.28Å; K316-C330 PolarHBondContact N-SG 3.41Å; I319-C330 HydrophobicContact CD1-CB 3.88Å; I319-C330 WeakPolarHBondContact CD1-SG 3.46Å; R327-C330 CarbonylContact O-C 3.54Å; R327-C330 PolarHBondContact O-N 2.86Å; E328-C330 VanDerWaalsContact C-N 3.33Å; C330-V332 PolarHBondContact O-N 3.42Å; C330-V332 VanDerWaalsContact O-N 3.11Å
331P93.5Very high75.3Confident43 Ų4356.7 Ų56.728%0.27930%0.295SS..  trans-68.9112.8-179.328.6-33.9000109.4Y358 P359 Y392P331-Y358 HydrophobicContact CB-CD1 3.76Å; P331-Y358 HydrophobicContact CB-CE1 3.86Å; P331-Y358 HydrophobicContact CG-CD1 4.22Å; P331-Y358 HydrophobicContact CG-CE1 4.32Å; P331-P359 WeakPolarHBondContact O-CD 3.25Å; P331-Y392 HydrophobicContact CB-CD1 3.74Å; P331-Y392 HydrophobicContact CB-CD2 3.57Å; P331-Y392 HydrophobicContact CB-CE1 3.94Å; P331-Y392 HydrophobicContact CB-CE2 3.72Å; P331-Y392 HydrophobicContact CB-CG 3.56Å
332V91.7Very high72.9Confident1 Ų159 Ų591%0.00631%0.307CS..  trans-131.3151.1-178.7-66.10000111.7K316 I319 C330 P359 A361 Y392 H393 L398K316-V332 HydrophobicContact CB-CG1 4.33Å; I319-V332 HydrophobicContact CD1-CB 4.3Å; I319-V332 HydrophobicContact CD1-CG1 3.58Å; I319-V332 HydrophobicContact CD1-CG2 3.73Å; I319-V332 HydrophobicContact CG1-CG1 4.28Å; I319-V332 HydrophobicContact CG1-CG2 3.98Å; I319-V332 HydrophobicContact CG2-CG2 4.15Å; C330-V332 PolarHBondContact O-N 3.42Å; C330-V332 VanDerWaalsContact O-N 3.11Å; V332-P359 VanDerWaalsContact CA-O 3.32Å; V332-P359 WeakPolarHBondContact CA-O 3.4Å; V332-P359 WeakPolarHBondContact CB-O 3.43Å; V332-P359 HydrophobicContact CG1-CG 4.28Å; V332-A361 HydrophobicContact CB-CB 4.26Å; V332-A361 HydrophobicContact CG2-CB 4.06Å; V332-Y392 WeakPolarHBondContact O-CB 3.47Å; V332-H393 PolarHBondContact O-N 2.79Å; V332-L398 HydrophobicContact CG2-CD1 4.15Å
333V87.4Confident70.7Confident1 Ų166.7 Ų66.71%0.00635%0.347CS..BIsolated β-bridgetrans-95.6157.1159.5-62.80000107.7L350 I354 P359 N360 A361V333-L350 HydrophobicContact CB-CD2 4Å; V333-L350 HydrophobicContact CG1-CD2 3.33Å; V333-I354 HydrophobicContact CG1-CG2 4.21Å; V333-P359 PolarHBondContact N-O 3.42Å; V333-N360 CarbonylContact O-C 3.58Å; V333-N360 VanDerWaalsContact O-CA 3.3Å; V333-N360 WeakPolarHBondContact O-CA 3.24Å; V333-N360 PolarHBondContact O-OD1 2.73Å; V333-N360 VanDerWaalsContact O-OD1 3.04Å; V333-A361 PolarHBondContact O-N 2.96Å
334W84Confident68.8Low0 Ų069.3 Ų69.30%034%0.339CS..  trans-131.986.6171.3-176.111.4000107.3N211 F336 N360 A361 I364 H393 L398 K401 Y402 L405N211-W334 PolarHBondContact ND2-NE1 2.49Å; N211-W334 PolarHBondContact OD1-NE1 3.03Å; W334-F336 HydrophobicContact CZ2-CE1 4.17Å; W334-N360 VanDerWaalsContact CA-OD1 3.22Å; W334-N360 WeakPolarHBondContact CA-OD1 3.44Å; W334-A361 HydrophobicContact CB-CB 4.14Å; W334-A361 HydrophobicContact CG-CB 4.29Å; W334-I364 HydrophobicContact CD2-CD1 3.74Å; W334-I364 HydrophobicContact CD2-CG1 3.89Å; W334-I364 HydrophobicContact CE3-CD1 4.07Å; W334-I364 HydrophobicContact CE3-CG1 3.7Å; W334-I364 HydrophobicContact CE3-CG2 4.47Å; W334-I364 HydrophobicContact CG-CD1 4.35Å; W334-I364 HydrophobicContact CH2-CB 3.93Å; W334-I364 HydrophobicContact CH2-CD1 3.7Å; W334-I364 HydrophobicContact CH2-CG1 3.67Å; W334-I364 HydrophobicContact CH2-CG2 4.14Å; W334-I364 HydrophobicContact CZ2-CB 4.49Å; W334-I364 HydrophobicContact CZ2-CD1 3.38Å; W334-I364 HydrophobicContact CZ2-CG1 3.9Å; W334-I364 HydrophobicContact CZ3-CB 4Å; W334-I364 HydrophobicContact CZ3-CD1 4.05Å; W334-I364 HydrophobicContact CZ3-CG1 3.59Å; W334-I364 HydrophobicContact CZ3-CG2 3.8Å; W334-H393 PolarHBondContact N-CE1 3.47Å; W334-H393 VanDerWaalsContact N-CE1 3.27Å; W334-H393 PolarHBondContact N-ND1 3.47Å; W334-H393 PolarHBondContact O-CE1 3.18Å; W334-L398 HydrophobicContact CB-CD2 3.53Å; W334-L398 HydrophobicContact CE3-CD2 3.98Å; W334-L398 HydrophobicContact CG-CD2 4.43Å; W334-L398 WeakPolarHBondContact CZ3-O 3.25Å; W334-K401 HydrophobicContact CD2-CB 4.42Å; W334-K401 HydrophobicContact CE3-CB 3.79Å; W334-K401 HydrophobicContact CZ3-CB 4Å; W334-K401 WeakPolarHBondContact O-CE 3.04Å; W334-K401 PolarHBondContact O-NZ 2.78Å; W334-Y402 HydrophobicContact CH2-CD2 4.27Å; W334-Y402 VanDerWaalsContact CZ3-N 3.34Å; W334-L405 HydrophobicContact CZ2-CD2 3.85Å
335E69.4Low66.8Low38 Ų3874.7 Ų74.718%0.17836%0.355CS..  trans-91132.7168.6-62.2-159.5151.300108.4L337 V355 N360E335-L337 PolarHBondContact O-N 3.34Å; E335-V355 WeakPolarHBondContact OE1-CG2 3.4Å; E335-N360 PolarHBondContact N-OD1 3.21Å; E335-N360 PolarHBondContact O-ND2 3.37Å; E335-N360 VanDerWaalsContact O-ND2 3.13Å
336F62.4Low64.8Low31 Ų3178.4 Ų78.414%0.13637%0.368CS..  trans-64.497.9160.8-55.7-58.9000104.8W334 M338 K401 L405W334-F336 HydrophobicContact CZ2-CE1 4.17Å; F336-M338 VanDerWaalsContact O-CG 3.31Å; F336-M338 WeakPolarHBondContact O-CG 3.48Å; F336-M338 PolarHBondContact O-N 2.95Å; F336-K401 HydrophobicContact CZ-CB 4.21Å; F336-L405 HydrophobicContact CE1-CB 3.9Å; F336-L405 HydrophobicContact CE1-CD1 4.45Å; F336-L405 HydrophobicContact CE1-CD2 4.01Å; F336-L405 HydrophobicContact CE1-CG 4.33Å; F336-L405 HydrophobicContact CZ-CB 4.23Å
337L47Very low62.8Low109 Ų10983.1 Ų83.157%0.57139%0.389SS*.  trans-56.2112-169.8-76.8164.1000109.5E335 N360E335-L337 PolarHBondContact O-N 3.34Å; L337-N360 WeakPolarHBondContact CD1-ND2 2.92Å; L337-N360 VanDerWaalsContact CG-ND2 3.34Å; L337-N360 WeakPolarHBondContact CG-ND2 3.16Å
338M42.5Very low61.2Low57 Ų5784 Ų8428%0.28139%0.394SS..  trans-104.4124.3170.3-59-114-66.200105.5W111 A114 I115 F336 N340W111-M338 HydrophobicContact CB-SD 4.43Å; A114-M338 HydrophobicContact CB-CE 3.06Å; A114-M338 HydrophobicContact CB-SD 3.26Å; A114-M338 WeakPolarHBondContact CB-SD 3.47Å; I115-M338 HydrophobicContact CG1-SD 4.42Å; F336-M338 VanDerWaalsContact O-CG 3.31Å; F336-M338 WeakPolarHBondContact O-CG 3.48Å; F336-M338 PolarHBondContact O-N 2.95Å; M338-N340 PolarHBondContact O-N 3.42Å
339N34.8Very low59.7Low88 Ų8881.6 Ų81.647%0.47139%0.391SS..  trans-54.2135.7178.8-1605.1000109.1V118 N341V118-N339 HydrophobicContact CB-CB 4.48Å; V118-N339 HydrophobicContact CG1-CB 4.17Å; V118-N339 HydrophobicContact CG2-CB 3.42Å; V118-N339 VanDerWaalsContact CG2-CB 3.42Å; N339-N341 PolarHBondContact O-N 2.93Å
340N38.4Very low58.3Low124 Ų12477.7 Ų77.766%0.66338%0.377SS*.THydrogen-bonded Turntrans-66.73.9-169.5-80.2-25000114.8M338 R346M338-N340 PolarHBondContact O-N 3.42Å; N340-R346 PolarHBondContact OD1-NH2 2.76Å
341N42.1Very low57.1Low133 Ų13383.8 Ų83.871%0.71141%0.405SS*.THydrogen-bonded Turntrans-89.3-5.1-171.8-76.8-3000115N339 N343N339-N341 PolarHBondContact O-N 2.93Å; N341-N343 PolarHBondContact O-N 3.01Å
342D42.3Very low55.9Low54 Ų5485 Ų8529%0.28941%0.409SS..  trans-88.5112.5174.6-79.4-37.3000111.1Y344D342-Y344 PolarHBondContact O-N 3.26Å
343N42.4Very low55Low172 Ų17289.6 Ų89.692%0.9243%0.433SS*.  trans-60.615.1166-80.3-27.2000113.8N341 R345N341-N343 PolarHBondContact O-N 3.01Å; N343-R345 PolarHBondContact O-N 2.75Å
344Y40Very low54Low145 Ų14590.1 Ų90.157%0.56944%0.436SS*.  trans-60.9117.8170-144.6-95.1000106.6D342 R346D342-Y344 PolarHBondContact O-N 3.26Å; Y344-R346 PolarHBondContact O-N 3.31Å
345R42.2Very low53.3Low243 Ų24392.3 Ų92.392%0.91745%0.45SS*.  trans-50.490.8173.1-95.1-180178175.5-0.2107.5N343 E347N343-R345 PolarHBondContact O-N 2.75Å; R345-E347 PolarHBondContact O-N 2.88Å; R345-E347 VanDerWaalsContact O-N 3.15Å
346R46.9Very low53.5Low87 Ų8797.8 Ų97.833%0.32848%0.479SS..  trans-63.6116.8172.6-77.1176.4177.9170.48.3104.6N340 Y344 K348N340-R346 PolarHBondContact OD1-NH2 2.76Å; Y344-R346 PolarHBondContact O-N 3.31Å; R346-K348 HydrophobicContact CB-CB 4.12Å; R346-K348 HydrophobicContact CB-CG 3.57Å; R346-K348 HydrophobicContact CG-CG 4.1Å; R346-K348 VanDerWaalsContact NH1-CE 3.32Å; R346-K348 PolarHBondContact O-N 3.28Å
347E47.6Very low54.4Low167 Ų167103.4 Ų103.478%0.7850%0.504SS*.  trans-62.483.1136.3-84-174.1146.600105R345 A349R345-E347 PolarHBondContact O-N 2.88Å; R345-E347 VanDerWaalsContact O-N 3.15Å; E347-A349 PolarHBondContact O-N 3.45Å
348K53.4Low56.3Low82 Ų8299.9 Ų99.936%0.35748%0.483SS..  trans-60.5109.4178-105.3-178.5-149.8-170.60105R346 L350 D352R346-K348 HydrophobicContact CB-CB 4.12Å; R346-K348 HydrophobicContact CB-CG 3.57Å; R346-K348 HydrophobicContact CG-CG 4.1Å; R346-K348 VanDerWaalsContact NH1-CE 3.32Å; R346-K348 PolarHBondContact O-N 3.28Å; K348-L350 VanDerWaalsContact CB-O 3.32Å; K348-L350 WeakPolarHBondContact CB-O 3.44Å; K348-L350 PolarHBondContact O-N 3.43Å; K348-D352 WeakPolarHBondContact CE-OD1 3.44Å; K348-D352 IonicContact NZ-OD1 3.74Å; K348-D352 PolarHBondContact NZ-OD1 2.98Å; K348-D352 IonicContact NZ-OD2 3.11Å; K348-D352 PolarHBondContact NZ-OD2 3.08Å
349A59.3Low58.5Low51 Ų5199.9 Ų99.942%0.42149%0.487SS..SBendtrans-59.5-26.9173.800000110.6E347E347-A349 PolarHBondContact O-N 3.45Å
350L62.3Low61Low3 Ų397.2 Ų97.22%0.01647%0.473CS..SBendtrans-127.7139.7178.5-140.478.1000111.9V333 K348 I354 V355 S389V333-L350 HydrophobicContact CB-CD2 4Å; V333-L350 HydrophobicContact CG1-CD2 3.33Å; K348-L350 VanDerWaalsContact CB-O 3.32Å; K348-L350 WeakPolarHBondContact CB-O 3.44Å; K348-L350 PolarHBondContact O-N 3.43Å; L350-I354 HydrophobicContact CD1-CD1 4.39Å; L350-I354 HydrophobicContact CD1-CG2 4.25Å; L350-I354 HydrophobicContact CD2-CB 3.79Å; L350-I354 HydrophobicContact CD2-CG2 3.41Å; L350-I354 VanDerWaalsContact CD2-CG2 3.41Å; L350-I354 HydrophobicContact CG-CB 3.9Å; L350-I354 HydrophobicContact CG-CD1 4.12Å; L350-I354 HydrophobicContact CG-CG2 3.79Å; L350-V355 HydrophobicContact CB-CG2 4.09Å; L350-V355 HydrophobicContact CD2-CG2 3.7Å; L350-V355 HydrophobicContact CG-CG2 4.38Å; L350-S389 WeakPolarHBondContact CD1-O 3.25Å
351H68.8Low63.6Low130 Ų13091.3 Ų91.360%0.60244%0.442SS*.  trans-74.2148175.7-160.8-85.2000110.7D353 I354 V355H351-D353 VanDerWaalsContact C-N 3.27Å; H351-D353 VanDerWaalsContact CB-OD1 3.23Å; H351-D353 WeakPolarHBondContact CB-OD1 3.38Å; H351-D353 IonicContact CE1-OD1 2.63Å; H351-D353 IonicContact CG-OD1 3.73Å; H351-D353 VanDerWaalsContact CG-OD1 3.24Å; H351-D353 IonicContact ND1-OD1 2.67Å; H351-D353 PolarHBondContact ND1-OD1 2.94Å; H351-D353 PolarHBondContact O-N 3.23Å; H351-I354 HydrophobicContact CB-CD1 4.13Å; H351-I354 HydrophobicContact CB-CG1 4.41Å; H351-I354 WeakPolarHBondContact O-CB 3.18Å; H351-I354 PolarHBondContact O-N 3.04Å; H351-V355 PolarHBondContact O-N 3.11Å
352D69.2Low66.1Low70 Ų7087 Ų8737%0.37442%0.416SS..Hα-helixtrans-62.8-32.6-170.5-75.2-38.5000113.6K348 I354 V355 L356K348-D352 WeakPolarHBondContact CE-OD1 3.44Å; K348-D352 IonicContact NZ-OD1 3.74Å; K348-D352 PolarHBondContact NZ-OD1 2.98Å; K348-D352 IonicContact NZ-OD2 3.11Å; K348-D352 PolarHBondContact NZ-OD2 3.08Å; D352-I354 VanDerWaalsContact C-N 3.29Å; D352-I354 PolarHBondContact O-N 2.95Å; D352-V355 PolarHBondContact O-N 3.17Å; D352-L356 WeakPolarHBondContact O-CB 3.39Å; D352-L356 VanDerWaalsContact O-CG 3.27Å; D352-L356 WeakPolarHBondContact O-CG 3.29Å; D352-L356 PolarHBondContact O-N 2.97Å
353D72Confident68.6Low96 Ų9684.4 Ų84.451%0.51340%0.402SS..Hα-helixtrans-61.7-37.2174.766.9-36.4000111.8H351 L356 K357H351-D353 VanDerWaalsContact C-N 3.27Å; H351-D353 VanDerWaalsContact CB-OD1 3.23Å; H351-D353 WeakPolarHBondContact CB-OD1 3.38Å; H351-D353 IonicContact CE1-OD1 2.63Å; H351-D353 IonicContact CG-OD1 3.73Å; H351-D353 VanDerWaalsContact CG-OD1 3.24Å; H351-D353 IonicContact ND1-OD1 2.67Å; H351-D353 PolarHBondContact ND1-OD1 2.94Å; H351-D353 PolarHBondContact O-N 3.23Å; D353-L356 PolarHBondContact O-N 3.38Å; D353-K357 WeakPolarHBondContact O-CB 3.36Å; D353-K357 PolarHBondContact O-N 2.9Å
354I68Low71.2Confident13 Ų1376.2 Ų76.27%0.06736%0.359CS..Hα-helixtrans-69.2-44.9176.8-55.1169.9000110.4V333 L350 H351 D352 L356 K357 Y358 S389 D390V333-I354 HydrophobicContact CG1-CG2 4.21Å; L350-I354 HydrophobicContact CD1-CD1 4.39Å; L350-I354 HydrophobicContact CD1-CG2 4.25Å; L350-I354 HydrophobicContact CD2-CB 3.79Å; L350-I354 HydrophobicContact CD2-CG2 3.41Å; L350-I354 VanDerWaalsContact CD2-CG2 3.41Å; L350-I354 HydrophobicContact CG-CB 3.9Å; L350-I354 HydrophobicContact CG-CD1 4.12Å; L350-I354 HydrophobicContact CG-CG2 3.79Å; H351-I354 HydrophobicContact CB-CD1 4.13Å; H351-I354 HydrophobicContact CB-CG1 4.41Å; H351-I354 WeakPolarHBondContact O-CB 3.18Å; H351-I354 PolarHBondContact O-N 3.04Å; D352-I354 VanDerWaalsContact C-N 3.29Å; D352-I354 PolarHBondContact O-N 2.95Å; I354-L356 PolarHBondContact O-N 3.15Å; I354-K357 PolarHBondContact O-N 2.86Å; I354-K357 VanDerWaalsContact O-N 3.09Å; I354-Y358 HydrophobicContact CG2-CD2 3.7Å; I354-Y358 HydrophobicContact CG2-CE2 4.04Å; I354-Y358 WeakPolarHBondContact O-CD2 3.44Å; I354-Y358 PolarHBondContact O-N 3.34Å; I354-S389 WeakPolarHBondContact CD1-O 3.36Å; I354-D390 VanDerWaalsContact CD1-C 3.43Å; I354-D390 VanDerWaalsContact CD1-O 3.28Å; I354-D390 WeakPolarHBondContact CD1-O 3.38Å
355V67.6Low73.9Confident46 Ų4669.4 Ų69.428%0.27933%0.332SS..Hα-helixtrans-61.3-35.5177.9-179.60000111.3E335 L350 H351 D352 Y358E335-V355 WeakPolarHBondContact OE1-CG2 3.4Å; L350-V355 HydrophobicContact CB-CG2 4.09Å; L350-V355 HydrophobicContact CD2-CG2 3.7Å; L350-V355 HydrophobicContact CG-CG2 4.38Å; H351-V355 PolarHBondContact O-N 3.11Å; D352-V355 PolarHBondContact O-N 3.17Å; V355-Y358 VanDerWaalsContact O-O 3.11Å
356L73.7Confident76.3Confident152 Ų15258.4 Ų58.480%0.79629%0.291SS*.Hα-helixtrans-76.1-28.8175.5-69.8170.4000112.8D352 D353 I354D352-L356 WeakPolarHBondContact O-CB 3.39Å; D352-L356 VanDerWaalsContact O-CG 3.27Å; D352-L356 WeakPolarHBondContact O-CG 3.29Å; D352-L356 PolarHBondContact O-N 2.97Å; D353-L356 PolarHBondContact O-N 3.38Å; I354-L356 PolarHBondContact O-N 3.15Å
357K83Confident78.3Confident150 Ų15055.7 Ų55.765%0.65228%0.283SS*.Hα-helixtrans-79.1-33.8-177.7-175.1177.2179.8-169.50113.2D353 I354D353-K357 WeakPolarHBondContact O-CB 3.36Å; D353-K357 PolarHBondContact O-N 2.9Å; I354-K357 PolarHBondContact O-N 2.86Å; I354-K357 VanDerWaalsContact O-N 3.09Å
358Y86.7Confident80Confident34 Ų3448.9 Ų48.913%0.13326%0.255CS..SBendtrans-119.1136.6-175.3-60.8-73.4000111.8P331 I354 V355 Y392P331-Y358 HydrophobicContact CB-CD1 3.76Å; P331-Y358 HydrophobicContact CB-CE1 3.86Å; P331-Y358 HydrophobicContact CG-CD1 4.22Å; P331-Y358 HydrophobicContact CG-CE1 4.32Å; I354-Y358 HydrophobicContact CG2-CD2 3.7Å; I354-Y358 HydrophobicContact CG2-CE2 4.04Å; I354-Y358 WeakPolarHBondContact O-CD2 3.44Å; I354-Y358 PolarHBondContact O-N 3.34Å; V355-Y358 VanDerWaalsContact O-O 3.11Å; Y358-Y392 HydrophobicContact CD1-CD1 4.17Å; Y358-Y392 HydrophobicContact CD1-CG 4.33Å; Y358-Y392 AromaticContact CE1-CD1 3.61Å; Y358-Y392 HydrophobicContact CE1-CD1 3.61Å; Y358-Y392 HydrophobicContact CE1-CE1 4.36Å; Y358-Y392 HydrophobicContact CE1-CG 4.22Å; Y358-Y392 HydrophobicContact CE2-CD1 4.1Å; Y358-Y392 AromaticContact CZ-CD1 3.58Å
359P88.4Confident81Confident58 Ų5853 Ų5338%0.37728%0.276SS..PPolyproline II helixtrans-66.5146.8178.826.1-31.9000111.5K316 P331 V332 V333K316-P359 HydrophobicContact CD-CB 4.1Å; P331-P359 WeakPolarHBondContact O-CD 3.25Å; V332-P359 VanDerWaalsContact CA-O 3.32Å; V332-P359 WeakPolarHBondContact CA-O 3.4Å; V332-P359 WeakPolarHBondContact CB-O 3.43Å; V332-P359 HydrophobicContact CG1-CG 4.28Å; V333-P359 PolarHBondContact N-O 3.42Å
360N87.1Confident81.9Confident32 Ų3253.5 Ų53.517%0.17127%0.273CS..BIsolated β-bridgetrans-69135.1169.4-15629.6000110.1N211 V333 W334 E335 L337 K362N211-N360 PolarHBondContact ND2-ND2 3.44Å; V333-N360 CarbonylContact O-C 3.58Å; V333-N360 VanDerWaalsContact O-CA 3.3Å; V333-N360 WeakPolarHBondContact O-CA 3.24Å; V333-N360 PolarHBondContact O-OD1 2.73Å; V333-N360 VanDerWaalsContact O-OD1 3.04Å; W334-N360 VanDerWaalsContact CA-OD1 3.22Å; W334-N360 WeakPolarHBondContact CA-OD1 3.44Å; E335-N360 PolarHBondContact N-OD1 3.21Å; E335-N360 PolarHBondContact O-ND2 3.37Å; E335-N360 VanDerWaalsContact O-ND2 3.13Å; L337-N360 WeakPolarHBondContact CD1-ND2 2.92Å; L337-N360 VanDerWaalsContact CG-ND2 3.34Å; L337-N360 WeakPolarHBondContact CG-ND2 3.16Å; N360-K362 PolarHBondContact O-N 2.71Å
361A92.6Very high82.9Confident0 Ų056.9 Ų56.90%029%0.289CS..PPolyproline II helixtrans-57.9131.2169.800000108.7N211 I319 V332 V333 W334 I364N211-A361 WeakPolarHBondContact CB-O 3.34Å; N211-A361 PolarHBondContact ND2-O 3.04Å; I319-A361 HydrophobicContact CG1-CB 3.95Å; V332-A361 HydrophobicContact CB-CB 4.26Å; V332-A361 HydrophobicContact CG2-CB 4.06Å; V333-A361 PolarHBondContact O-N 2.96Å; W334-A361 HydrophobicContact CB-CB 4.14Å; W334-A361 HydrophobicContact CG-CB 4.29Å; A361-I364 HydrophobicContact CB-CD1 4.01Å; A361-I364 HydrophobicContact CB-CG1 4.14Å
362K93.8Very high83.6Confident41 Ų4150.7 Ų50.718%0.17826%0.26CS..SBendtrans-105.4-24-179.2-63.1-169.3166.8-1430112.7N211 D212 K316 W317 N360N211-K362 CarbonylContact C-O 3.47Å; N211-K362 WeakPolarHBondContact CA-O 3.41Å; N211-K362 PolarHBondContact N-O 2.98Å; D212-K362 HydrophobicContact CB-CB 3.96Å; D212-K362 HydrophobicContact CB-CD 4.31Å; D212-K362 HydrophobicContact CB-CG 4.12Å; D212-K362 WeakPolarHBondContact OD2-CD 3.33Å; D212-K362 WeakPolarHBondContact OD2-CE 3.14Å; D212-K362 IonicContact OD2-NZ 3.73Å; D212-K362 PolarHBondContact OD2-NZ 3.39Å; K316-K362 HydrophobicContact CD-CD 4.01Å; K316-K362 HydrophobicContact CD-CG 4.16Å; K316-K362 HydrophobicContact CG-CD 4.16Å; K316-K362 HydrophobicContact CG-CG 4.16Å; K316-K362 WeakPolarHBondContact O-CA 3.13Å; K316-K362 WeakPolarHBondContact O-CB 3.43Å; K316-K362 PolarHBondContact O-N 2.78Å; W317-K362 HydrophobicContact CD2-CB 3.81Å; W317-K362 HydrophobicContact CD2-CD 3.86Å; W317-K362 HydrophobicContact CD2-CG 4.48Å; W317-K362 HydrophobicContact CE3-CB 3.49Å; W317-K362 VanDerWaalsContact CE3-CB 3.49Å; W317-K362 HydrophobicContact CE3-CD 4.18Å; W317-K362 HydrophobicContact CH2-CB 4.1Å; W317-K362 HydrophobicContact CH2-CD 3.72Å; W317-K362 HydrophobicContact CZ2-CB 4.4Å; W317-K362 HydrophobicContact CZ2-CD 3.37Å; W317-K362 HydrophobicContact CZ3-CB 3.62Å; W317-K362 HydrophobicContact CZ3-CD 4.1Å; N360-K362 PolarHBondContact O-N 2.71Å
363L96.4Very high84.6Confident0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-148130.1175.5-175.8156.7000108.3L204 I208 L209 L210 I260 K316 W317 I319 H365L204-L363 HydrophobicContact CD2-CD1 4.15Å; I208-L363 HydrophobicContact CB-CD2 4.4Å; I208-L363 HydrophobicContact CD1-CD2 4.06Å; I208-L363 HydrophobicContact CG1-CD2 4.08Å; I208-L363 HydrophobicContact CG2-CD1 3.78Å; I208-L363 HydrophobicContact CG2-CD2 3.49Å; I208-L363 VanDerWaalsContact CG2-CD2 3.49Å; I208-L363 HydrophobicContact CG2-CG 3.44Å; I208-L363 VanDerWaalsContact CG2-CG 3.44Å; L209-L363 WeakPolarHBondContact O-CA 3.35Å; L210-L363 HydrophobicContact CD1-CB 4.35Å; L210-L363 HydrophobicContact CD1-CD1 4.16Å; L210-L363 HydrophobicContact CD1-CG 4.48Å; I260-L363 HydrophobicContact CD1-CD1 3.62Å; K316-L363 PolarHBondContact O-N 3.43Å; K316-L363 VanDerWaalsContact O-N 3.16Å; W317-L363 HydrophobicContact CE3-CB 4.29Å; W317-L363 WeakPolarHBondContact O-CB 3.17Å; W317-L363 WeakPolarHBondContact O-CD2 3.4Å; I319-L363 PolarHBondContact N-O 3.16Å; L363-H365 HydrophobicContact CD2-CB 4.28Å
364I96.1Very high85.3Confident0 Ų049.5 Ų49.50%025%0.245CC..EExtended strand (participates in β ladder)trans-115.8121.3-178-59.384.5000108I208 L209 N211 L321 W334 A361 Y402I208-I364 CarbonylContact C-O 3.45Å; I208-I364 WeakPolarHBondContact CA-O 3.13Å; L209-I364 PolarHBondContact N-O 3.03Å; L209-I364 PolarHBondContact O-N 3.21Å; N211-I364 HydrophobicContact CB-CD1 3.71Å; L321-I364 HydrophobicContact CD1-CG2 3.37Å; L321-I364 HydrophobicContact CG-CG2 3.96Å; W334-I364 HydrophobicContact CD2-CD1 3.74Å; W334-I364 HydrophobicContact CD2-CG1 3.89Å; W334-I364 HydrophobicContact CE3-CD1 4.07Å; W334-I364 HydrophobicContact CE3-CG1 3.7Å; W334-I364 HydrophobicContact CE3-CG2 4.47Å; W334-I364 HydrophobicContact CG-CD1 4.35Å; W334-I364 HydrophobicContact CH2-CB 3.93Å; W334-I364 HydrophobicContact CH2-CD1 3.7Å; W334-I364 HydrophobicContact CH2-CG1 3.67Å; W334-I364 HydrophobicContact CH2-CG2 4.14Å; W334-I364 HydrophobicContact CZ2-CB 4.49Å; W334-I364 HydrophobicContact CZ2-CD1 3.38Å; W334-I364 HydrophobicContact CZ2-CG1 3.9Å; W334-I364 HydrophobicContact CZ3-CB 4Å; W334-I364 HydrophobicContact CZ3-CD1 4.05Å; W334-I364 HydrophobicContact CZ3-CG1 3.59Å; W334-I364 HydrophobicContact CZ3-CG2 3.8Å; A361-I364 HydrophobicContact CB-CD1 4.01Å; A361-I364 HydrophobicContact CB-CG1 4.14Å; I364-Y402 HydrophobicContact CB-CD2 4.22Å; I364-Y402 HydrophobicContact CG2-CD2 3.67Å; I364-Y402 HydrophobicContact CG2-CE2 4.44Å; I364-Y402 HydrophobicContact CG2-CG 4.49Å
365H96.3Very high86Confident2 Ų251.2 Ų51.21%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-109.1108.1-175.9-175.3-166.6000109.6N205 D207 I208 N257 G259 N318 I319 Q320 L321 L363 N367N205-H365 PolarHBondContact ND2-NE2 2.86Å; D207-H365 VanDerWaalsContact CG-CD2 3.41Å; D207-H365 IonicContact OD1-CD2 3.21Å; D207-H365 PolarHBondContact OD1-CD2 2.9Å; D207-H365 IonicContact OD1-NE2 3.49Å; D207-H365 PolarHBondContact OD1-NE2 3.24Å; D207-H365 IonicContact OD2-CD2 3.33Å; D207-H365 PolarHBondContact OD2-CD2 2.02Å; D207-H365 IonicContact OD2-NE2 3.42Å; D207-H365 PolarHBondContact OD2-NE2 3.5Å; I208-H365 HydrophobicContact CG1-CB 4.06Å; N257-H365 PolarHBondContact OD1-CE1 3.15Å; N257-H365 PolarHBondContact OD1-ND1 2.84Å; G259-H365 VanDerWaalsContact CA-CE1 3.48Å; G259-H365 WeakPolarHBondContact CA-CE1 3.48Å; N318-H365 WeakPolarHBondContact OD1-CB 3.41Å; N318-H365 PolarHBondContact OD1-ND1 2.83Å; I319-H365 PolarHBondContact O-N 3.35Å; Q320-H365 WeakPolarHBondContact CA-O 3.39Å; L321-H365 PolarHBondContact N-O 3.26Å; L363-H365 HydrophobicContact CD2-CB 4.28Å; H365-N367 PolarHBondContact O-N 3.01Å; H365-N367 PolarHBondContact O-OD1 3.27Å
366F93Very high86.9Confident12 Ų1251.6 Ų51.65%0.05325%0.25CC..  trans-83.157.1177.6-160.3-95.4000111.5D207 L321 A368 V370 Y402 F403D207-F366 PolarHBondContact O-N 2.86Å; L321-F366 HydrophobicContact CB-CD2 4.05Å; L321-F366 HydrophobicContact CD1-CD2 3.81Å; L321-F366 HydrophobicContact CD1-CE2 4.49Å; F366-A368 HydrophobicContact CD1-CB 4.2Å; F366-A368 HydrophobicContact CE1-CB 3.85Å; F366-A368 HydrophobicContact CZ-CB 4.27Å; F366-A368 PolarHBondContact O-N 2.97Å; F366-V370 WeakPolarHBondContact CE1-O 3.38Å; F366-Y402 HydrophobicContact CB-CD1 4.03Å; F366-Y402 HydrophobicContact CB-CD2 4.2Å; F366-Y402 HydrophobicContact CB-CE1 3.57Å; F366-Y402 HydrophobicContact CB-CE2 3.73Å; F366-Y402 HydrophobicContact CB-CG 4.33Å; F366-Y402 VanDerWaalsContact CB-CZ 3.4Å; F366-Y402 HydrophobicContact CD1-CE1 4.38Å; F366-Y402 AromaticContact CD2-CD1 3.58Å; F366-Y402 HydrophobicContact CD2-CD1 3.58Å; F366-Y402 AromaticContact CD2-CE1 3.92Å; F366-Y402 HydrophobicContact CD2-CE1 3.92Å; F366-Y402 AromaticContact CD2-CG 3.94Å; F366-Y402 HydrophobicContact CD2-CG 3.94Å; F366-Y402 HydrophobicContact CE2-CD1 4.26Å; F366-Y402 AromaticContact CG-CD1 3.88Å; F366-Y402 HydrophobicContact CG-CD1 3.88Å; F366-Y402 AromaticContact CG-CE1 3.7Å; F366-Y402 HydrophobicContact CG-CE1 3.7Å; F366-Y402 HydrophobicContact CG-CG 4.44Å; F366-F403 HydrophobicContact CE1-CE1 4.45Å; F366-F403 AromaticContact CE1-CZ 3.83Å; F366-F403 HydrophobicContact CE1-CZ 3.83Å; F366-F403 AromaticContact CE2-CE2 3.75Å; F366-F403 HydrophobicContact CE2-CE2 3.75Å; F366-F403 AromaticContact CE2-CZ 3.83Å; F366-F403 HydrophobicContact CE2-CZ 3.83Å; F366-F403 HydrophobicContact CZ-CE1 4.2Å; F366-F403 AromaticContact CZ-CE2 3.56Å; F366-F403 HydrophobicContact CZ-CE2 3.56Å; F366-F403 AromaticContact CZ-CZ 3.27Å; F366-F403 HydrophobicContact CZ-CZ 3.27Å
367N88.5Confident87.3Confident30 Ų3047.2 Ų47.216%0.1623%0.23CC..  trans-72.634.7-178.764.7-24.5000114.5D207 L321 S322 H365D207-N367 WeakPolarHBondContact OD2-CA 3.37Å; L321-N367 PolarHBondContact N-OD1 2.94Å; S322-N367 VanDerWaalsContact CB-O 3.27Å; S322-N367 WeakPolarHBondContact CB-O 3.35Å; S322-N367 WeakPolarHBondContact CB-OD1 3.43Å; S322-N367 PolarHBondContact N-OD1 3.36Å; H365-N367 PolarHBondContact O-N 3.01Å; H365-N367 PolarHBondContact O-OD1 3.27Å
368A83.5Confident87.3Confident24 Ų2445.5 Ų45.520%0.19823%0.227CC..SBendtrans-79.1156.3172.200000110.4F366 V370F366-A368 HydrophobicContact CD1-CB 4.2Å; F366-A368 HydrophobicContact CE1-CB 3.85Å; F366-A368 HydrophobicContact CZ-CB 4.27Å; F366-A368 PolarHBondContact O-N 2.97Å; A368-V370 PolarHBondContact O-N 3.38Å; A368-V370 VanDerWaalsContact O-N 3.17Å
369H74.5Confident86.9Confident170 Ų17044 Ų4479%0.78722%0.222SC*.SBendtrans-63.9-20.8178.5-69.6-63000114.4
370V79.4Confident86.2Confident61 Ų6146.6 Ų46.637%0.3723%0.232SC..SBendtrans-110.2110.3177.9-171.70000107.9F366 A368 Y374 F375F366-V370 WeakPolarHBondContact CE1-O 3.38Å; A368-V370 PolarHBondContact O-N 3.38Å; A368-V370 VanDerWaalsContact O-N 3.17Å; V370-Y374 HydrophobicContact CG1-CD1 3.5Å; V370-Y374 HydrophobicContact CG1-CD2 4.49Å; V370-Y374 HydrophobicContact CG1-CE1 4.31Å; V370-Y374 HydrophobicContact CG1-CG 3.61Å; V370-F375 HydrophobicContact CB-CE2 3.91Å; V370-F375 HydrophobicContact CB-CZ 4.38Å; V370-F375 HydrophobicContact CG1-CD2 4.02Å; V370-F375 HydrophobicContact CG1-CE2 3.24Å; V370-F375 HydrophobicContact CG1-CZ 3.64Å
371E82Confident85.7Confident73 Ų7348.8 Ų48.834%0.34124%0.237SC..  trans-63.4152.7-177.6-63.6-63.5165.200112.1Q75 D207 E373 Y374Q75-E371 PolarHBondContact NE2-OE2 3.36Å; D207-E371 WeakPolarHBondContact CB-OE2 3.33Å; E371-E373 PolarHBondContact O-N 2.94Å; E371-Y374 WeakPolarHBondContact O-CB 3.27Å; E371-Y374 PolarHBondContact O-N 3.45Å; E371-Y374 VanDerWaalsContact O-N 3.1Å
372P84.1Confident85Confident0 Ų054.1 Ų54.10%026%0.261CS..G310 helixtrans-60.7-28.9-177.423.1-35.9000114.9Q75 Y374 Y402 F403 Y406 Y407Q75-P372 HydrophobicContact CG-CG 4.43Å; P372-Y374 VanDerWaalsContact C-N 3.3Å; P372-Y374 PolarHBondContact O-N 3.18Å; P372-Y402 HydrophobicContact CB-CE1 3.98Å; P372-Y402 HydrophobicContact CG-CE1 4.19Å; P372-F403 HydrophobicContact CB-CE1 4.12Å; P372-Y406 HydrophobicContact CB-CD1 4.17Å; P372-Y406 HydrophobicContact CB-CD2 4.29Å; P372-Y406 HydrophobicContact CB-CE1 4Å; P372-Y406 HydrophobicContact CB-CE2 4.13Å; P372-Y406 HydrophobicContact CB-CG 4.31Å; P372-Y406 HydrophobicContact CG-CD2 4.23Å; P372-Y406 HydrophobicContact CG-CE1 4.3Å; P372-Y406 HydrophobicContact CG-CE2 3.72Å; P372-Y407 PolarHBondContact O-OH 2.97Å
373E89.9Confident83.9Confident15 Ų1552.2 Ų52.27%0.0725%0.253CS..G310 helixtrans-67.3-29.2177.4-70.4-66.6117.600112.4D71 N74 Q75 E371 F375 F376 Y406 R410D71-E373 HydrophobicContact CB-CB 3.83Å; D71-E373 HydrophobicContact CB-CG 3.99Å; N74-E373 VanDerWaalsContact CB-CD 3.5Å; N74-E373 HydrophobicContact CB-CG 4.2Å; N74-E373 WeakPolarHBondContact CB-OE2 3.49Å; N74-E373 PolarHBondContact ND2-OE2 2.95Å; Q75-E373 HydrophobicContact CG-CG 3.83Å; E371-E373 PolarHBondContact O-N 2.94Å; E373-F375 PolarHBondContact O-N 3.4Å; E373-F375 VanDerWaalsContact O-N 3.16Å; E373-F376 WeakPolarHBondContact O-CB 3.42Å; E373-F376 PolarHBondContact O-N 3.43Å; E373-Y406 WeakPolarHBondContact OE1-CE1 3.26Å; E373-Y406 VanDerWaalsContact OE1-CZ 3.28Å; E373-Y406 PolarHBondContact OE1-OH 3.05Å; E373-R410 WeakPolarHBondContact OE1-CD 3.41Å; E373-R410 IonicContact OE1-NE 3.24Å; E373-R410 PolarHBondContact OE1-NE 3.47Å; E373-R410 IonicContact OE2-NE 2.63Å; E373-R410 PolarHBondContact OE2-NE 3.01Å
374Y86.9Confident82.7Confident126 Ų12656 Ų5649%0.49427%0.273SS..G310 helixtrans-59.2-33.6-177.9-174.6-92.6000112.7V370 E371 P372V370-Y374 HydrophobicContact CG1-CD1 3.5Å; V370-Y374 HydrophobicContact CG1-CD2 4.49Å; V370-Y374 HydrophobicContact CG1-CE1 4.31Å; V370-Y374 HydrophobicContact CG1-CG 3.61Å; E371-Y374 WeakPolarHBondContact O-CB 3.27Å; E371-Y374 PolarHBondContact O-N 3.45Å; E371-Y374 VanDerWaalsContact O-N 3.1Å; P372-Y374 VanDerWaalsContact C-N 3.3Å; P372-Y374 PolarHBondContact O-N 3.18Å
375F82.4Confident81Confident50 Ų5060.2 Ų60.222%0.21930%0.3CS..G310 helixtrans-97.1-6.5179-63.5-66.1000112.6V370 E373 I378 L380 Y407V370-F375 HydrophobicContact CB-CE2 3.91Å; V370-F375 HydrophobicContact CB-CZ 4.38Å; V370-F375 HydrophobicContact CG1-CD2 4.02Å; V370-F375 HydrophobicContact CG1-CE2 3.24Å; V370-F375 HydrophobicContact CG1-CZ 3.64Å; E373-F375 PolarHBondContact O-N 3.4Å; E373-F375 VanDerWaalsContact O-N 3.16Å; F375-I378 WeakPolarHBondContact CB-O 3.27Å; F375-I378 CarbonylContact O-C 3.56Å; F375-I378 WeakPolarHBondContact O-CA 3.21Å; F375-I378 PolarHBondContact O-N 2.9Å; F375-L380 HydrophobicContact CD1-CB 4.3Å; F375-L380 HydrophobicContact CD2-CB 3.94Å; F375-L380 HydrophobicContact CE1-CB 4.23Å; F375-L380 HydrophobicContact CE1-CD1 4.01Å; F375-L380 HydrophobicContact CE2-CB 3.83Å; F375-L380 HydrophobicContact CE2-CD2 4.06Å; F375-L380 HydrophobicContact CE2-CG 4.39Å; F375-L380 HydrophobicContact CG-CB 4.17Å; F375-L380 HydrophobicContact CZ-CB 4Å; F375-L380 HydrophobicContact CZ-CD1 3.97Å; F375-L380 HydrophobicContact CZ-CD2 4Å; F375-L380 HydrophobicContact CZ-CG 4.21Å; F375-Y407 WeakPolarHBondContact CB-OH 3.44Å; F375-Y407 PolarHBondContact O-OH 2.86Å
376F86.3Confident79.4Confident54 Ų5465.4 Ų65.424%0.23733%0.328CS..THydrogen-bonded Turntrans-66.2131.3-175.7-175.6-90.1000110.1Y103 E373 Y407 R410Y103-F376 HydrophobicContact CD2-CE2 4.28Å; Y103-F376 AromaticContact CE2-CE2 3.69Å; Y103-F376 HydrophobicContact CE2-CE2 3.69Å; Y103-F376 AromaticContact CE2-CZ 3.52Å; Y103-F376 HydrophobicContact CE2-CZ 3.52Å; Y103-F376 AromaticContact CZ-CZ 3.89Å; E373-F376 WeakPolarHBondContact O-CB 3.42Å; E373-F376 PolarHBondContact O-N 3.43Å; F376-Y407 WeakPolarHBondContact CA-OH 3.44Å; F376-Y407 HydrophobicContact CB-CE1 4.5Å; F376-Y407 HydrophobicContact CB-CE2 4.48Å; F376-Y407 AromaticContact CD2-CD1 3.82Å; F376-Y407 HydrophobicContact CD2-CD1 3.82Å; F376-Y407 AromaticContact CD2-CD2 3.99Å; F376-Y407 HydrophobicContact CD2-CD2 3.99Å; F376-Y407 AromaticContact CD2-CE1 3.92Å; F376-Y407 HydrophobicContact CD2-CE1 3.92Å; F376-Y407 AromaticContact CD2-CE2 3.98Å; F376-Y407 HydrophobicContact CD2-CE2 3.98Å; F376-Y407 AromaticContact CD2-CG 3.85Å; F376-Y407 HydrophobicContact CD2-CG 3.85Å; F376-Y407 AromaticContact CD2-CZ 3.95Å; F376-Y407 HydrophobicContact CE2-CD1 4.18Å; F376-Y407 HydrophobicContact CE2-CG 4.1Å; F376-Y407 PolarHBondContact N-OH 2.88Å; F376-Y407 VanDerWaalsContact N-OH 3.12Å; F376-R410 HydrophobicContact CD2-CG 3.94Å; F376-R410 HydrophobicContact CE1-CG 4.33Å; F376-R410 HydrophobicContact CE2-CB 3.92Å; F376-R410 HydrophobicContact CE2-CG 3.47Å; F376-R410 VanDerWaalsContact CE2-CG 3.47Å; F376-R410 HydrophobicContact CZ-CB 4.42Å; F376-R410 HydrophobicContact CZ-CG 3.67Å
377P82Confident78.1Confident59 Ų5966.7 Ų66.738%0.38333%0.334SS..THydrogen-bonded Turncis-100.816.510.538.5-35.3000116Y103 Y407Y103-P377 HydrophobicContact CD1-CB 4.2Å; Y103-P377 HydrophobicContact CE1-CB 3.44Å; Y103-P377 VanDerWaalsContact CE1-CB 3.44Å; Y103-P377 HydrophobicContact CE1-CG 4.28Å; Y103-P377 HydrophobicContact CE2-CB 4.23Å; Y103-P377 VanDerWaalsContact CZ-CB 3.44Å; Y103-P377 WeakPolarHBondContact OH-CB 3.37Å; P377-Y407 WeakPolarHBondContact O-CD1 3.33Å; P377-Y407 WeakPolarHBondContact O-CE1 3.47Å
378I82.6Confident77Confident114 Ų11473.1 Ų73.159%0.58536%0.36SS*.SBendtrans-119.3100.8-178.8-55173000110.7F375 F382F375-I378 WeakPolarHBondContact CB-O 3.27Å; F375-I378 CarbonylContact O-C 3.56Å; F375-I378 WeakPolarHBondContact O-CA 3.21Å; F375-I378 PolarHBondContact O-N 2.9Å; I378-F382 HydrophobicContact CG2-CE1 4.1Å; I378-F382 HydrophobicContact CG2-CZ 3.64Å
379P79.9Confident76.3Confident3 Ų372.6 Ų72.62%0.01936%0.356CS..  trans-71.3151.7-169.635.1-40.2000112F104 R381 F382 F403 Y407F104-P379 HydrophobicContact CE1-CG 3.87Å; F104-P379 HydrophobicContact CZ-CG 3.45Å; F104-P379 VanDerWaalsContact CZ-CG 3.45Å; P379-R381 PolarHBondContact O-N 3.47Å; P379-F382 HydrophobicContact CG-CD1 4.22Å; P379-F382 HydrophobicContact CG-CE1 4.4Å; P379-F403 HydrophobicContact CB-CB 3.82Å; P379-F403 HydrophobicContact CB-CD1 3.82Å; P379-F403 HydrophobicContact CB-CD2 4.1Å; P379-F403 HydrophobicContact CB-CE1 4.38Å; P379-F403 HydrophobicContact CB-CG 3.66Å; P379-Y407 HydrophobicContact CB-CE1 3.94Å; P379-Y407 HydrophobicContact CG-CE1 4.28Å
380L73Confident76Confident112 Ų11271.6 Ų71.659%0.58636%0.356SS*.SBendtrans-60.7-31.9171.9-17368.8000112.5F375F375-L380 HydrophobicContact CD1-CB 4.3Å; F375-L380 HydrophobicContact CD2-CB 3.94Å; F375-L380 HydrophobicContact CE1-CB 4.23Å; F375-L380 HydrophobicContact CE1-CD1 4.01Å; F375-L380 HydrophobicContact CE2-CB 3.83Å; F375-L380 HydrophobicContact CE2-CD2 4.06Å; F375-L380 HydrophobicContact CE2-CG 4.39Å; F375-L380 HydrophobicContact CG-CB 4.17Å; F375-L380 HydrophobicContact CZ-CB 4Å; F375-L380 HydrophobicContact CZ-CD1 3.97Å; F375-L380 HydrophobicContact CZ-CD2 4Å; F375-L380 HydrophobicContact CZ-CG 4.21Å
381R77.3Confident76.1Confident78 Ų7873.1 Ų73.129%0.29436%0.359SS..SBendtrans-121.3103.2180-64.8-179.9179.7179.9-1.6109.5P379 S399 R400 F403P379-R381 PolarHBondContact O-N 3.47Å; R381-S399 PolarHBondContact NH1-OG 3.24Å; R381-R400 HydrophobicContact CB-CG 3.91Å; R381-F403 HydrophobicContact CB-CD2 4.11Å; R381-F403 HydrophobicContact CB-CE2 4.24Å
382F78.2Confident76.1Confident112 Ų11270.6 Ų70.649%0.49135%0.347SS..  trans-66.6134.3177.9-69.4-86.9000111.5F104 I378 P379 R400F104-F382 HydrophobicContact CE1-CD1 4.22Å; I378-F382 HydrophobicContact CG2-CE1 4.1Å; I378-F382 HydrophobicContact CG2-CZ 3.64Å; P379-F382 HydrophobicContact CG-CD1 4.22Å; P379-F382 HydrophobicContact CG-CE1 4.4Å; F382-R400 WeakPolarHBondContact O-CD 3.5Å; F382-R400 WeakPolarHBondContact O-CG 3.37Å; F382-R400 PolarHBondContact O-NE 3.41Å; F382-R400 VanDerWaalsContact O-NE 3.16Å
383P70.7Confident76.2Confident2 Ų271 Ų711%0.01335%0.348CS..  trans-55.4149.1166.5-22.834.5000110.9F104 F107 Q404F104-P383 HydrophobicContact CD1-CG 3.81Å; F104-P383 HydrophobicContact CD2-CG 4.11Å; F104-P383 VanDerWaalsContact CE1-CD 3.42Å; F104-P383 HydrophobicContact CE1-CG 3.93Å; F104-P383 HydrophobicContact CE2-CG 4.19Å; F104-P383 HydrophobicContact CG-CG 3.94Å; F104-P383 HydrophobicContact CZ-CG 4.14Å; F107-P383 WeakPolarHBondContact CE1-O 3.49Å; F107-P383 HydrophobicContact CG-CB 4.39Å; F107-P383 WeakPolarHBondContact CZ-O 3.26Å; P383-Q404 HydrophobicContact CB-CB 4.16Å; P383-Q404 HydrophobicContact CB-CG 4.3Å; P383-Q404 HydrophobicContact CG-CB 3.69Å; P383-Q404 HydrophobicContact CG-CG 4.1Å
384L70.8Confident76.2Confident80 Ų8071.9 Ų71.942%0.41936%0.356SS..  trans-118.3144.3175.7-63.4178.4000109.2E387L384-E387 HydrophobicContact CB-CB 4.27Å
385P60.6Low76.2Confident87 Ų8767.3 Ų67.357%0.56534%0.341SS*.THydrogen-bonded Turntrans-73.4-38-172.9-3.520.7000111.1F107F107-P385 HydrophobicContact CD1-CB 3.99Å; F107-P385 HydrophobicContact CD1-CG 3.61Å; F107-P385 HydrophobicContact CE1-CB 4.47Å; F107-P385 HydrophobicContact CE1-CG 3.61Å
386N61.2Low76.5Confident111 Ų11168.7 Ų68.759%0.59435%0.35SS*.THydrogen-bonded Turntrans-123.853.5-170.3-67.3-7.4000111.1K388N386-K388 VanDerWaalsContact C-N 3.35Å; N386-K388 PolarHBondContact O-N 3.33Å
387E65.8Low76.5Confident40 Ų4067.1 Ų67.119%0.18734%0.344CS..  trans-80.586.3174.2-153.4166.3-159.300109.5L384 Q397 R400L384-E387 HydrophobicContact CB-CB 4.27Å; E387-Q397 HydrophobicContact CG-CG 3.72Å; E387-Q397 WeakPolarHBondContact OE1-CG 3.25Å; E387-R400 IonicContact OE1-CZ 3.8Å; E387-R400 IonicContact OE1-NH1 2.86Å; E387-R400 PolarHBondContact OE1-NH1 2.95Å
388K66.7Low76.9Confident164 Ų16464.6 Ų64.671%0.71333%0.327SS*.  trans-67.9144.6172.5-68.2-172.7178.7-1770109.9N386 Q397N386-K388 VanDerWaalsContact C-N 3.35Å; N386-K388 PolarHBondContact O-N 3.33Å; K388-Q397 PolarHBondContact O-NE2 3.3Å
389S68.7Low77.2Confident14 Ų1459.2 Ų59.210%0.09830%0.299CS..  trans-135.1121.3170.6-171.30000107.8L350 I354 E391L350-S389 WeakPolarHBondContact CD1-O 3.25Å; I354-S389 WeakPolarHBondContact CD1-O 3.36Å; S389-E391 WeakPolarHBondContact CB-O 3.11Å; S389-E391 PolarHBondContact O-N 3.01Å; S389-E391 PolarHBondContact OG-O 2.85Å
390D68.2Low77.5Confident149 Ų14962.1 Ų62.180%0.79731%0.31SS*.SBendtrans-80.1-2.3174.7-58.1-37.3000111.4I354I354-D390 VanDerWaalsContact CD1-C 3.43Å; I354-D390 VanDerWaalsContact CD1-O 3.28Å; I354-D390 WeakPolarHBondContact CD1-O 3.38Å
391E80.7Confident78.1Confident93 Ų9358.4 Ų58.444%0.43529%0.289SS..SBendtrans-141.6-165.3177.6-60.3-171.4160.200111.3R327 S389R327-E391 IonicContact NH1-OE2 2.67Å; R327-E391 IonicContact NH2-OE2 2.91Å; S389-E391 WeakPolarHBondContact CB-O 3.11Å; S389-E391 PolarHBondContact O-N 3.01Å; S389-E391 PolarHBondContact OG-O 2.85Å
392Y82.8Confident78.7Confident20 Ų2054.7 Ų54.78%0.07828%0.275CS..SBendtrans-63.5153.516965.1-83.2000112R327 E328 P331 V332 Y358R327-Y392 HydrophobicContact CB-CE2 4.02Å; R327-Y392 HydrophobicContact CG-CE2 3.73Å; R327-Y392 PolarHBondContact NH1-O 2.95Å; R327-Y392 PolarHBondContact NH2-OH 3.47Å; E328-Y392 WeakPolarHBondContact CG-OH 2.84Å; E328-Y392 PolarHBondContact OE1-OH 2.87Å; P331-Y392 HydrophobicContact CB-CD1 3.74Å; P331-Y392 HydrophobicContact CB-CD2 3.57Å; P331-Y392 HydrophobicContact CB-CE1 3.94Å; P331-Y392 HydrophobicContact CB-CE2 3.72Å; P331-Y392 HydrophobicContact CB-CG 3.56Å; V332-Y392 WeakPolarHBondContact O-CB 3.47Å; Y358-Y392 HydrophobicContact CD1-CD1 4.17Å; Y358-Y392 HydrophobicContact CD1-CG 4.33Å; Y358-Y392 AromaticContact CE1-CD1 3.61Å; Y358-Y392 HydrophobicContact CE1-CD1 3.61Å; Y358-Y392 HydrophobicContact CE1-CE1 4.36Å; Y358-Y392 HydrophobicContact CE1-CG 4.22Å; Y358-Y392 HydrophobicContact CE2-CD1 4.1Å; Y358-Y392 AromaticContact CZ-CD1 3.58Å
393H86.2Confident79.2Confident8 Ų849.4 Ų49.44%0.03725%0.252CS..PPolyproline II helixtrans-67.7140.8-171.2-67.4139.8000112.3V332 W334 Q397 L398 K401V332-H393 PolarHBondContact O-N 2.79Å; W334-H393 PolarHBondContact N-CE1 3.47Å; W334-H393 VanDerWaalsContact N-CE1 3.27Å; W334-H393 PolarHBondContact N-ND1 3.47Å; W334-H393 PolarHBondContact O-CE1 3.18Å; H393-Q397 HydrophobicContact CB-CB 4Å; H393-L398 HydrophobicContact CB-CD1 4.43Å; H393-L398 HydrophobicContact CB-CD2 3.76Å; H393-L398 HydrophobicContact CB-CG 3.74Å; H393-K401 PolarHBondContact CE1-NZ 3.41Å
394S88.3Confident79.8Confident34 Ų3450.4 Ų50.424%0.23826%0.256CS..PPolyproline II helixtrans-69.6160.3166.867.30000112.1I396 Q397 L398S394-I396 PolarHBondContact O-N 2.59Å; S394-Q397 WeakPolarHBondContact O-CB 3.45Å; S394-Q397 PolarHBondContact O-N 3.01Å; S394-Q397 VanDerWaalsContact O-N 3.16Å; S394-Q397 WeakPolarHBondContact OG-CG 3.38Å; S394-Q397 PolarHBondContact OG-N 3.39Å; S394-Q397 PolarHBondContact OG-OE1 3.32Å; S394-L398 WeakPolarHBondContact O-CG 3.31Å; S394-L398 PolarHBondContact O-N 3.05Å
395T88.3Confident80.5Confident29 Ų2946.7 Ų46.718%0.17824%0.237CC..Hα-helixtrans-55.3-36.1173.7-46.50000111.8L321 S399L321-T395 HydrophobicContact CB-CG2 4.48Å; L321-T395 HydrophobicContact CD2-CG2 4.01Å; T395-S399 WeakPolarHBondContact O-CB 3.42Å; T395-S399 PolarHBondContact O-N 3.07Å; T395-S399 PolarHBondContact O-OG 3.35Å
396I87.7Confident81.9Confident80 Ų8042.6 Ų42.641%0.4121%0.21SC..Hα-helixtrans-68-46.4178.3-65.5170.5000111.1S394 S399 R400S394-I396 PolarHBondContact O-N 2.59Å; I396-S399 PolarHBondContact O-N 2.92Å; I396-R400 WeakPolarHBondContact O-CG 3.35Å; I396-R400 PolarHBondContact O-N 2.95Å
397Q87.6Confident83.2Confident21 Ų2137.3 Ų37.310%0.09818%0.182CC..Hα-helixtrans-57.2-49174.6-83.8160.2-37.400110.8E387 K388 H393 S394 S399 R400 K401E387-Q397 HydrophobicContact CG-CG 3.72Å; E387-Q397 WeakPolarHBondContact OE1-CG 3.25Å; K388-Q397 PolarHBondContact O-NE2 3.3Å; H393-Q397 HydrophobicContact CB-CB 4Å; S394-Q397 WeakPolarHBondContact O-CB 3.45Å; S394-Q397 PolarHBondContact O-N 3.01Å; S394-Q397 VanDerWaalsContact O-N 3.16Å; S394-Q397 WeakPolarHBondContact OG-CG 3.38Å; S394-Q397 PolarHBondContact OG-N 3.39Å; S394-Q397 PolarHBondContact OG-OE1 3.32Å; Q397-S399 PolarHBondContact O-N 2.97Å; Q397-R400 PolarHBondContact O-N 3.39Å; Q397-K401 WeakPolarHBondContact O-CG 3.25Å; Q397-K401 PolarHBondContact O-N 2.85Å
398L89.4Confident84Confident6 Ų635.5 Ų35.53%0.03117%0.174CC..Hα-helixtrans-61.9-40.9177.8-66.6170.8000112.2I319 L321 V332 W334 H393 S394 K401 Y402I319-L398 HydrophobicContact CG2-CD1 3.8Å; L321-L398 HydrophobicContact CD1-CB 4.42Å; L321-L398 HydrophobicContact CD2-CB 3.54Å; L321-L398 HydrophobicContact CD2-CD1 4.12Å; L321-L398 HydrophobicContact CD2-CG 4.5Å; V332-L398 HydrophobicContact CG2-CD1 4.15Å; W334-L398 HydrophobicContact CB-CD2 3.53Å; W334-L398 HydrophobicContact CE3-CD2 3.98Å; W334-L398 HydrophobicContact CG-CD2 4.43Å; W334-L398 WeakPolarHBondContact CZ3-O 3.25Å; H393-L398 HydrophobicContact CB-CD1 4.43Å; H393-L398 HydrophobicContact CB-CD2 3.76Å; H393-L398 HydrophobicContact CB-CG 3.74Å; S394-L398 WeakPolarHBondContact O-CG 3.31Å; S394-L398 PolarHBondContact O-N 3.05Å; L398-K401 PolarHBondContact O-N 3.22Å; L398-Y402 WeakPolarHBondContact O-CB 3.34Å; L398-Y402 PolarHBondContact O-N 3.37Å
399S89.6Confident85Confident1 Ų127.7 Ų27.71%0.00714%0.14CC..Hα-helixtrans-62.9-41.1174.6-590000113.1R381 T395 I396 Q397 Y402 F403R381-S399 PolarHBondContact NH1-OG 3.24Å; T395-S399 WeakPolarHBondContact O-CB 3.42Å; T395-S399 PolarHBondContact O-N 3.07Å; T395-S399 PolarHBondContact O-OG 3.35Å; I396-S399 PolarHBondContact O-N 2.92Å; Q397-S399 PolarHBondContact O-N 2.97Å; S399-Y402 WeakPolarHBondContact O-CB 3.25Å; S399-Y402 PolarHBondContact O-N 2.91Å; S399-F403 WeakPolarHBondContact O-CD2 3.49Å; S399-F403 PolarHBondContact O-N 3Å
400R86.6Confident86.1Confident64 Ų6429.4 Ų29.424%0.24214%0.144CC..Hα-helixtrans-61.5-45.6176.5-76175.5166.8146.22.2111.1R381 F382 E387 I396 Q397 Y402 F403 Q404R381-R400 HydrophobicContact CB-CG 3.91Å; F382-R400 WeakPolarHBondContact O-CD 3.5Å; F382-R400 WeakPolarHBondContact O-CG 3.37Å; F382-R400 PolarHBondContact O-NE 3.41Å; F382-R400 VanDerWaalsContact O-NE 3.16Å; E387-R400 IonicContact OE1-CZ 3.8Å; E387-R400 IonicContact OE1-NH1 2.86Å; E387-R400 PolarHBondContact OE1-NH1 2.95Å; I396-R400 WeakPolarHBondContact O-CG 3.35Å; I396-R400 PolarHBondContact O-N 2.95Å; Q397-R400 PolarHBondContact O-N 3.39Å; R400-Y402 VanDerWaalsContact C-N 3.33Å; R400-F403 PolarHBondContact O-N 3.38Å; R400-Q404 PolarHBondContact O-N 2.66Å
401K85Confident86.9Confident34 Ų3424 Ų2415%0.14812%0.118CC..Hα-helixtrans-65.7-36.8176.2-64-176.696.9158.10112W334 F336 H393 Q397 L398 Q404 L405W334-K401 HydrophobicContact CD2-CB 4.42Å; W334-K401 HydrophobicContact CE3-CB 3.79Å; W334-K401 HydrophobicContact CZ3-CB 4Å; W334-K401 WeakPolarHBondContact O-CE 3.04Å; W334-K401 PolarHBondContact O-NZ 2.78Å; F336-K401 HydrophobicContact CZ-CB 4.21Å; H393-K401 PolarHBondContact CE1-NZ 3.41Å; Q397-K401 WeakPolarHBondContact O-CG 3.25Å; Q397-K401 PolarHBondContact O-N 2.85Å; L398-K401 PolarHBondContact O-N 3.22Å; K401-Q404 WeakPolarHBondContact O-CB 3.19Å; K401-Q404 PolarHBondContact O-N 3.34Å; K401-L405 PolarHBondContact O-N 2.95Å
402Y90Very high87.1Confident0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-57.6-53.6172.6-178.8-86.4000110.8D207 L209 L321 W334 I364 F366 P372 L398 S399 R400 Q404 L405 Y406D207-Y402 PolarHBondContact O-OH 3.44Å; L209-Y402 HydrophobicContact CB-CD2 4.36Å; L209-Y402 HydrophobicContact CB-CE2 3.98Å; L209-Y402 HydrophobicContact CD1-CD2 3.75Å; L209-Y402 HydrophobicContact CD1-CE2 3.66Å; L209-Y402 HydrophobicContact CD1-CG 4.31Å; L209-Y402 HydrophobicContact CG-CD2 4.06Å; L209-Y402 HydrophobicContact CG-CE2 3.51Å; L321-Y402 HydrophobicContact CD1-CD2 4.43Å; L321-Y402 HydrophobicContact CD1-CG 4.33Å; W334-Y402 HydrophobicContact CH2-CD2 4.27Å; W334-Y402 VanDerWaalsContact CZ3-N 3.34Å; I364-Y402 HydrophobicContact CB-CD2 4.22Å; I364-Y402 HydrophobicContact CG2-CD2 3.67Å; I364-Y402 HydrophobicContact CG2-CE2 4.44Å; I364-Y402 HydrophobicContact CG2-CG 4.49Å; F366-Y402 HydrophobicContact CB-CD1 4.03Å; F366-Y402 HydrophobicContact CB-CD2 4.2Å; F366-Y402 HydrophobicContact CB-CE1 3.57Å; F366-Y402 HydrophobicContact CB-CE2 3.73Å; F366-Y402 HydrophobicContact CB-CG 4.33Å; F366-Y402 VanDerWaalsContact CB-CZ 3.4Å; F366-Y402 HydrophobicContact CD1-CE1 4.38Å; F366-Y402 AromaticContact CD2-CD1 3.58Å; F366-Y402 HydrophobicContact CD2-CD1 3.58Å; F366-Y402 AromaticContact CD2-CE1 3.92Å; F366-Y402 HydrophobicContact CD2-CE1 3.92Å; F366-Y402 AromaticContact CD2-CG 3.94Å; F366-Y402 HydrophobicContact CD2-CG 3.94Å; F366-Y402 HydrophobicContact CE2-CD1 4.26Å; F366-Y402 AromaticContact CG-CD1 3.88Å; F366-Y402 HydrophobicContact CG-CD1 3.88Å; F366-Y402 AromaticContact CG-CE1 3.7Å; F366-Y402 HydrophobicContact CG-CE1 3.7Å; F366-Y402 HydrophobicContact CG-CG 4.44Å; P372-Y402 HydrophobicContact CB-CE1 3.98Å; P372-Y402 HydrophobicContact CG-CE1 4.19Å; L398-Y402 WeakPolarHBondContact O-CB 3.34Å; L398-Y402 PolarHBondContact O-N 3.37Å; S399-Y402 WeakPolarHBondContact O-CB 3.25Å; S399-Y402 PolarHBondContact O-N 2.91Å; R400-Y402 VanDerWaalsContact C-N 3.33Å; Y402-Q404 VanDerWaalsContact C-N 3.32Å; Y402-Q404 PolarHBondContact O-N 3Å; Y402-L405 PolarHBondContact O-N 3.39Å; Y402-Y406 AromaticContact CE1-CD2 3.85Å; Y402-Y406 HydrophobicContact CE1-CD2 3.85Å; Y402-Y406 HydrophobicContact CE1-CG 4.13Å; Y402-Y406 AromaticContact CZ-CD2 3.79Å; Y402-Y406 WeakPolarHBondContact O-CB 3.48Å; Y402-Y406 PolarHBondContact O-N 3.3Å; Y402-Y406 WeakPolarHBondContact OH-CD2 3.4Å
403F88.2Confident87.3Confident1 Ų121.3 Ų21.30%0.00411%0.111CC..Hα-helixtrans-61.6-39.6178.7-76.7-60.6000112.6F366 P372 P379 R381 S399 R400 Y407F366-F403 HydrophobicContact CE1-CE1 4.45Å; F366-F403 AromaticContact CE1-CZ 3.83Å; F366-F403 HydrophobicContact CE1-CZ 3.83Å; F366-F403 AromaticContact CE2-CE2 3.75Å; F366-F403 HydrophobicContact CE2-CE2 3.75Å; F366-F403 AromaticContact CE2-CZ 3.83Å; F366-F403 HydrophobicContact CE2-CZ 3.83Å; F366-F403 HydrophobicContact CZ-CE1 4.2Å; F366-F403 AromaticContact CZ-CE2 3.56Å; F366-F403 HydrophobicContact CZ-CE2 3.56Å; F366-F403 AromaticContact CZ-CZ 3.27Å; F366-F403 HydrophobicContact CZ-CZ 3.27Å; P372-F403 HydrophobicContact CB-CE1 4.12Å; P379-F403 HydrophobicContact CB-CB 3.82Å; P379-F403 HydrophobicContact CB-CD1 3.82Å; P379-F403 HydrophobicContact CB-CD2 4.1Å; P379-F403 HydrophobicContact CB-CE1 4.38Å; P379-F403 HydrophobicContact CB-CG 3.66Å; R381-F403 HydrophobicContact CB-CD2 4.11Å; R381-F403 HydrophobicContact CB-CE2 4.24Å; S399-F403 WeakPolarHBondContact O-CD2 3.49Å; S399-F403 PolarHBondContact O-N 3Å; R400-F403 PolarHBondContact O-N 3.38Å; F403-Y407 HydrophobicContact CD1-CD2 4.21Å; F403-Y407 AromaticContact CD1-CE2 3.57Å; F403-Y407 HydrophobicContact CD1-CE2 3.57Å; F403-Y407 HydrophobicContact CE1-CE2 4.21Å; F403-Y407 VanDerWaalsContact O-CB 3.31Å; F403-Y407 WeakPolarHBondContact O-CB 3.4Å; F403-Y407 VanDerWaalsContact O-CD2 3.27Å; F403-Y407 WeakPolarHBondContact O-CD2 3.21Å; F403-Y407 PolarHBondContact O-N 2.83Å
404Q83.3Confident87.3Confident23 Ų2324.7 Ų24.711%0.10712%0.123CC..Hα-helixtrans-56.4-54.7174.9-168.5179.78.900110.9F104 F107 P383 R400 K401 Y402 N408F104-Q404 HydrophobicContact CD2-CG 4.5Å; F107-Q404 PolarHBondContact O-NE2 2.96Å; P383-Q404 HydrophobicContact CB-CB 4.16Å; P383-Q404 HydrophobicContact CB-CG 4.3Å; P383-Q404 HydrophobicContact CG-CB 3.69Å; P383-Q404 HydrophobicContact CG-CG 4.1Å; R400-Q404 PolarHBondContact O-N 2.66Å; K401-Q404 WeakPolarHBondContact O-CB 3.19Å; K401-Q404 PolarHBondContact O-N 3.34Å; Y402-Q404 VanDerWaalsContact C-N 3.32Å; Y402-Q404 PolarHBondContact O-N 3Å; Q404-N408 WeakPolarHBondContact O-CB 3.3Å; Q404-N408 PolarHBondContact O-N 3.49Å; Q404-N408 PolarHBondContact O-ND2 3.44Å
405L84.6Confident87.1Confident1 Ų129 Ų291%0.00514%0.139CC..Hα-helixtrans-67.5-45.8-178.6-178.860.4000112W111 L209 W334 F336 K401 Y402 Y407 N408 L409W111-L405 HydrophobicContact CH2-CD1 3.48Å; W111-L405 VanDerWaalsContact CH2-CD1 3.48Å; W111-L405 HydrophobicContact CZ2-CD1 3.92Å; W111-L405 HydrophobicContact CZ3-CD1 4.28Å; L209-L405 HydrophobicContact CD1-CB 4.11Å; L209-L405 HydrophobicContact CD1-CD2 4.03Å; L209-L405 HydrophobicContact CD1-CG 4.04Å; W334-L405 HydrophobicContact CZ2-CD2 3.85Å; F336-L405 HydrophobicContact CE1-CB 3.9Å; F336-L405 HydrophobicContact CE1-CD1 4.45Å; F336-L405 HydrophobicContact CE1-CD2 4.01Å; F336-L405 HydrophobicContact CE1-CG 4.33Å; F336-L405 HydrophobicContact CZ-CB 4.23Å; K401-L405 PolarHBondContact O-N 2.95Å; Y402-L405 PolarHBondContact O-N 3.39Å; L405-Y407 PolarHBondContact O-N 3.07Å; L405-N408 PolarHBondContact O-N 2.79Å; L405-L409 HydrophobicContact CD1-CD1 3.87Å; L405-L409 HydrophobicContact CD1-CG 3.94Å; L405-L409 HydrophobicContact CD2-CD1 4.43Å; L405-L409 HydrophobicContact CG-CD1 3.85Å; L405-L409 HydrophobicContact CG-CG 4.31Å; L405-L409 WeakPolarHBondContact O-CG 3.2Å; L405-L409 PolarHBondContact O-N 2.99Å
406Y90.3Very high86.9Confident1 Ų127.6 Ų27.60%0.00413%0.131CC..Hα-helixtrans-55.8-51-179-172.4-81.1000111Q75 T78 L209 P372 E373 Y402 N408 L409 R410Q75-Y406 WeakPolarHBondContact CA-OH 3.31Å; Q75-Y406 VanDerWaalsContact CG-OH 3.23Å; Q75-Y406 WeakPolarHBondContact CG-OH 3.49Å; T78-Y406 HydrophobicContact CG2-CD1 4.33Å; T78-Y406 HydrophobicContact CG2-CD2 3.74Å; T78-Y406 HydrophobicContact CG2-CE1 4.36Å; T78-Y406 HydrophobicContact CG2-CE2 3.74Å; T78-Y406 HydrophobicContact CG2-CG 4.04Å; L209-Y406 HydrophobicContact CD1-CD2 4.34Å; L209-Y406 HydrophobicContact CD2-CD2 4.09Å; L209-Y406 HydrophobicContact CG-CD2 4.29Å; P372-Y406 HydrophobicContact CB-CD1 4.17Å; P372-Y406 HydrophobicContact CB-CD2 4.29Å; P372-Y406 HydrophobicContact CB-CE1 4Å; P372-Y406 HydrophobicContact CB-CE2 4.13Å; P372-Y406 HydrophobicContact CB-CG 4.31Å; P372-Y406 HydrophobicContact CG-CD2 4.23Å; P372-Y406 HydrophobicContact CG-CE1 4.3Å; P372-Y406 HydrophobicContact CG-CE2 3.72Å; E373-Y406 WeakPolarHBondContact OE1-CE1 3.26Å; E373-Y406 VanDerWaalsContact OE1-CZ 3.28Å; E373-Y406 PolarHBondContact OE1-OH 3.05Å; Y402-Y406 AromaticContact CE1-CD2 3.85Å; Y402-Y406 HydrophobicContact CE1-CD2 3.85Å; Y402-Y406 HydrophobicContact CE1-CG 4.13Å; Y402-Y406 AromaticContact CZ-CD2 3.79Å; Y402-Y406 WeakPolarHBondContact O-CB 3.48Å; Y402-Y406 PolarHBondContact O-N 3.3Å; Y402-Y406 WeakPolarHBondContact OH-CD2 3.4Å; Y406-N408 VanDerWaalsContact C-N 3.29Å; Y406-N408 PolarHBondContact O-N 3.41Å; Y406-L409 PolarHBondContact O-N 3.04Å; Y406-R410 HydrophobicContact CD1-CB 4.27Å; Y406-R410 HydrophobicContact CE1-CB 4.17Å; Y406-R410 HydrophobicContact CE1-CG 4.3Å; Y406-R410 WeakPolarHBondContact O-CB 2.9Å; Y406-R410 PolarHBondContact O-N 3.28Å
407Y89.2Confident86.7Confident0 Ų024.2 Ų24.20%011%0.113CC..Hα-helixtrans-70-32.8-173.2-78-143.7000111.1F104 P372 F375 F376 P377 P379 F403 L405 S411F104-Y407 AromaticContact CE2-CD1 3.96Å; F104-Y407 HydrophobicContact CE2-CD1 3.96Å; F104-Y407 HydrophobicContact CE2-CG 4.09Å; F104-Y407 HydrophobicContact CZ-CD1 4.06Å; P372-Y407 PolarHBondContact O-OH 2.97Å; F375-Y407 WeakPolarHBondContact CB-OH 3.44Å; F375-Y407 PolarHBondContact O-OH 2.86Å; F376-Y407 WeakPolarHBondContact CA-OH 3.44Å; F376-Y407 HydrophobicContact CB-CE1 4.5Å; F376-Y407 HydrophobicContact CB-CE2 4.48Å; F376-Y407 AromaticContact CD2-CD1 3.82Å; F376-Y407 HydrophobicContact CD2-CD1 3.82Å; F376-Y407 AromaticContact CD2-CD2 3.99Å; F376-Y407 HydrophobicContact CD2-CD2 3.99Å; F376-Y407 AromaticContact CD2-CE1 3.92Å; F376-Y407 HydrophobicContact CD2-CE1 3.92Å; F376-Y407 AromaticContact CD2-CE2 3.98Å; F376-Y407 HydrophobicContact CD2-CE2 3.98Å; F376-Y407 AromaticContact CD2-CG 3.85Å; F376-Y407 HydrophobicContact CD2-CG 3.85Å; F376-Y407 AromaticContact CD2-CZ 3.95Å; F376-Y407 HydrophobicContact CE2-CD1 4.18Å; F376-Y407 HydrophobicContact CE2-CG 4.1Å; F376-Y407 PolarHBondContact N-OH 2.88Å; F376-Y407 VanDerWaalsContact N-OH 3.12Å; P377-Y407 WeakPolarHBondContact O-CD1 3.33Å; P377-Y407 WeakPolarHBondContact O-CE1 3.47Å; P379-Y407 HydrophobicContact CB-CE1 3.94Å; P379-Y407 HydrophobicContact CG-CE1 4.28Å; F403-Y407 HydrophobicContact CD1-CD2 4.21Å; F403-Y407 AromaticContact CD1-CE2 3.57Å; F403-Y407 HydrophobicContact CD1-CE2 3.57Å; F403-Y407 HydrophobicContact CE1-CE2 4.21Å; F403-Y407 VanDerWaalsContact O-CB 3.31Å; F403-Y407 WeakPolarHBondContact O-CB 3.4Å; F403-Y407 VanDerWaalsContact O-CD2 3.27Å; F403-Y407 WeakPolarHBondContact O-CD2 3.21Å; F403-Y407 PolarHBondContact O-N 2.83Å; L405-Y407 PolarHBondContact O-N 3.07Å; Y407-S411 WeakPolarHBondContact O-CB 3.47Å; Y407-S411 PolarHBondContact O-N 3.4Å; Y407-S411 VanDerWaalsContact O-N 3.07Å; Y407-S411 PolarHBondContact O-OG 3.02Å
408N83.2Confident86.1Confident3 Ų327.8 Ų27.82%0.01613%0.132CC..Hα-helixtrans-66.3-50.2174.1-70.4-22.6000111.3F101 Y103 W111 Q404 L405 Y406 R410 S411 M412F101-N408 HydrophobicContact CD1-CB 3.62Å; F101-N408 WeakPolarHBondContact CD1-ND2 3.01Å; F101-N408 VanDerWaalsContact CD1-OD1 3.24Å; F101-N408 WeakPolarHBondContact CD1-OD1 3.19Å; F101-N408 HydrophobicContact CE1-CB 3.81Å; F101-N408 VanDerWaalsContact CE1-ND2 3.31Å; F101-N408 WeakPolarHBondContact CE1-ND2 3.34Å; Y103-N408 PolarHBondContact O-OD1 2.97Å; W111-N408 HydrophobicContact CZ2-CB 4.48Å; Q404-N408 WeakPolarHBondContact O-CB 3.3Å; Q404-N408 PolarHBondContact O-N 3.49Å; Q404-N408 PolarHBondContact O-ND2 3.44Å; L405-N408 PolarHBondContact O-N 2.79Å; Y406-N408 VanDerWaalsContact C-N 3.29Å; Y406-N408 PolarHBondContact O-N 3.41Å; N408-R410 PolarHBondContact O-N 3.47Å; N408-S411 PolarHBondContact O-N 3.05Å; N408-S411 PolarHBondContact O-OG 3.03Å; N408-S411 VanDerWaalsContact O-OG 3.07Å; N408-M412 WeakPolarHBondContact O-CB 3.3Å; N408-M412 PolarHBondContact O-N 2.91Å
409L87.5Confident85.9Confident0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-64.5-40.4176.2-68.2176.1000111.9T78 K81 L209 L405 Y406 S411 M412 F417T78-L409 HydrophobicContact CG2-CB 3.84Å; K81-L409 HydrophobicContact CB-CB 4.28Å; K81-L409 HydrophobicContact CB-CD2 4.27Å; K81-L409 WeakPolarHBondContact CD-O 3.22Å; K81-L409 PolarHBondContact NZ-O 3.19Å; L209-L409 HydrophobicContact CD2-CD1 4.26Å; L405-L409 HydrophobicContact CD1-CD1 3.87Å; L405-L409 HydrophobicContact CD1-CG 3.94Å; L405-L409 HydrophobicContact CD2-CD1 4.43Å; L405-L409 HydrophobicContact CG-CD1 3.85Å; L405-L409 HydrophobicContact CG-CG 4.31Å; L405-L409 WeakPolarHBondContact O-CG 3.2Å; L405-L409 PolarHBondContact O-N 2.99Å; Y406-L409 PolarHBondContact O-N 3.04Å; L409-S411 PolarHBondContact O-N 3.44Å; L409-M412 PolarHBondContact O-N 3.01Å; L409-F417 HydrophobicContact CD2-CZ 4.24Å
410R91.3Very high85.7Confident49 Ų4930.3 Ų30.319%0.18514%0.144CC..Hα-helixtrans-59.6-35.2178.1-179.964.9-169.294.1-8.4112.1N74 T78 E373 F376 Y406 N408N74-R410 PolarHBondContact ND2-NH2 3.04Å; N74-R410 PolarHBondContact OD1-NH2 3.3Å; T78-R410 HydrophobicContact CG2-CB 4.27Å; T78-R410 VanDerWaalsContact OG1-CD 3.23Å; T78-R410 WeakPolarHBondContact OG1-CD 3.35Å; E373-R410 WeakPolarHBondContact OE1-CD 3.41Å; E373-R410 IonicContact OE1-NE 3.24Å; E373-R410 PolarHBondContact OE1-NE 3.47Å; E373-R410 IonicContact OE2-NE 2.63Å; E373-R410 PolarHBondContact OE2-NE 3.01Å; F376-R410 HydrophobicContact CD2-CG 3.94Å; F376-R410 HydrophobicContact CE1-CG 4.33Å; F376-R410 HydrophobicContact CE2-CB 3.92Å; F376-R410 HydrophobicContact CE2-CG 3.47Å; F376-R410 VanDerWaalsContact CE2-CG 3.47Å; F376-R410 HydrophobicContact CZ-CB 4.42Å; F376-R410 HydrophobicContact CZ-CG 3.67Å; Y406-R410 HydrophobicContact CD1-CB 4.27Å; Y406-R410 HydrophobicContact CE1-CB 4.17Å; Y406-R410 HydrophobicContact CE1-CG 4.3Å; Y406-R410 WeakPolarHBondContact O-CB 2.9Å; Y406-R410 PolarHBondContact O-N 3.28Å; N408-R410 PolarHBondContact O-N 3.47Å
411S86.2Confident85.7Confident36 Ų3628.4 Ų28.425%0.25214%0.139SC..Hα-helixtrans-90.2-21.7177.552.10000115.2Y407 N408 L409 S413Y407-S411 WeakPolarHBondContact O-CB 3.47Å; Y407-S411 PolarHBondContact O-N 3.4Å; Y407-S411 VanDerWaalsContact O-N 3.07Å; Y407-S411 PolarHBondContact O-OG 3.02Å; N408-S411 PolarHBondContact O-N 3.05Å; N408-S411 PolarHBondContact O-OG 3.03Å; N408-S411 VanDerWaalsContact O-OG 3.07Å; L409-S411 PolarHBondContact O-N 3.44Å; S411-S413 PolarHBondContact O-N 3.24Å
412M84Confident85.7Confident15 Ų1528.1 Ų28.17%0.07414%0.138CC..SBendtrans-61134.9179.4-169.4173.7-67.200110.7K81 C98 L112 N408 L409 C416 F417K81-M412 PolarHBondContact NZ-O 2.8Å; C98-M412 VanDerWaalsContact O-CE 3.3Å; C98-M412 WeakPolarHBondContact O-CE 3.42Å; L112-M412 HydrophobicContact CD1-CE 3.69Å; L112-M412 HydrophobicContact CD2-CE 4.16Å; N408-M412 WeakPolarHBondContact O-CB 3.3Å; N408-M412 PolarHBondContact O-N 2.91Å; L409-M412 PolarHBondContact O-N 3.01Å; M412-C416 HydrophobicContact CG-CB 3.95Å; M412-C416 HydrophobicContact SD-CB 4.1Å; M412-F417 HydrophobicContact CB-CE2 4.3Å; M412-F417 HydrophobicContact CG-CE2 3.86Å; M412-F417 HydrophobicContact CG-CZ 4.25Å; M412-F417 HydrophobicContact SD-CE1 4.43Å; M412-F417 HydrophobicContact SD-CE2 3.62Å; M412-F417 HydrophobicContact SD-CZ 3.44Å; M412-F417 WeakPolarHBondContact SD-CZ 3.29Å
413S86.6Confident85.4Confident41 Ų4129.9 Ų29.929%0.28715%0.147SC..  trans-59.9140.5177.9179.90000111S411 H415 C416S411-S413 PolarHBondContact O-N 3.24Å; S413-H415 PolarHBondContact O-N 3.2Å; S413-H415 PolarHBondContact OG-N 3.33Å; S413-C416 VanDerWaalsContact O-CB 3.25Å; S413-C416 WeakPolarHBondContact O-CB 3.46Å; S413-C416 PolarHBondContact O-N 3.27Å; S413-C416 VanDerWaalsContact O-N 3.1Å; S413-C416 PolarHBondContact O-SG 3.25Å; S413-C416 VanDerWaalsContact O-SG 3.36Å
414R87.3Confident85.3Confident79 Ų7931.8 Ų31.830%0.29816%0.156SC..G310 helixtrans-60.3-31.4173.1-73.6179.7-67.7163.2-1111.4E77 L148 W152 C416 F417E77-R414 WeakPolarHBondContact OE1-CG 3.34Å; L148-R414 PolarHBondContact O-NH1 2.92Å; W152-R414 HydrophobicContact CD2-CB 4.09Å; W152-R414 HydrophobicContact CD2-CG 4.02Å; W152-R414 HydrophobicContact CE3-CG 4.32Å; W152-R414 HydrophobicContact CG-CB 4.14Å; W152-R414 HydrophobicContact CG-CG 4.45Å; W152-R414 HydrophobicContact CZ2-CB 4.38Å; W152-R414 HydrophobicContact CZ2-CG 4.25Å; W152-R414 PolarHBondContact NE1-O 3.15Å; R414-C416 PolarHBondContact O-N 3.32Å; R414-C416 VanDerWaalsContact O-N 3.07Å; R414-F417 PolarHBondContact O-N 3.33Å
415H84.2Confident85.4Confident125 Ų12532.4 Ų32.458%0.57916%0.16SC*.G310 helixtrans-59.9-20.3176.6-64-61.3000112.9Y91 S413 F417Y91-H415 WeakPolarHBondContact CE1-O 3.17Å; Y91-H415 PolarHBondContact OH-O 3.47Å; S413-H415 PolarHBondContact O-N 3.2Å; S413-H415 PolarHBondContact OG-N 3.33Å; H415-F417 PolarHBondContact O-N 3.42Å
416C82.7Confident85.5Confident0 Ų034.8 Ų34.80%017%0.172CC..G310 helixtrans-69.7-9175.8-570000114.6W90 Y91 C98 M412 S413 R414W90-C416 CarbonylContact C-O 3.52Å; W90-C416 WeakPolarHBondContact CA-O 3.34Å; W90-C416 WeakPolarHBondContact CB-O 3.42Å; Y91-C416 PolarHBondContact N-O 3.28Å; C98-C416 WeakPolarHBondContact CA-SG 3.48Å; C98-C416 HydrophobicContact CB-CB 3.67Å; C98-C416 WeakPolarHBondContact CB-SG 3.44Å; C98-C416 WeakPolarHBondContact SG-CA 3.49Å; C98-C416 WeakPolarHBondContact SG-CB 3.27Å; C98-C416 CovalentContact SG-SG 2.02Å; C98-C416 PolarHBondContact SG-SG 2.89Å; M412-C416 HydrophobicContact CG-CB 3.95Å; M412-C416 HydrophobicContact SD-CB 4.1Å; S413-C416 VanDerWaalsContact O-CB 3.25Å; S413-C416 WeakPolarHBondContact O-CB 3.46Å; S413-C416 PolarHBondContact O-N 3.27Å; S413-C416 VanDerWaalsContact O-N 3.1Å; S413-C416 PolarHBondContact O-SG 3.25Å; S413-C416 VanDerWaalsContact O-SG 3.36Å; R414-C416 PolarHBondContact O-N 3.32Å; R414-C416 VanDerWaalsContact O-N 3.07Å
417F84.4Confident85.1Confident8 Ų837.7 Ų37.74%0.03519%0.186CC..BIsolated β-bridgetrans-119150.4-173.2-58.5-91.8000112.1K81 L84 F85 R89 W90 W152 L154 L409 M412 R414 H415K81-F417 HydrophobicContact CB-CE1 4.08Å; K81-F417 HydrophobicContact CB-CE2 4.18Å; K81-F417 HydrophobicContact CB-CZ 3.71Å; K81-F417 HydrophobicContact CD-CE2 3.79Å; K81-F417 HydrophobicContact CD-CZ 4.1Å; K81-F417 HydrophobicContact CG-CD2 4.23Å; K81-F417 HydrophobicContact CG-CE1 4.38Å; K81-F417 HydrophobicContact CG-CE2 3.72Å; K81-F417 HydrophobicContact CG-CZ 3.79Å; K81-F417 WeakPolarHBondContact O-CE1 3.36Å; L84-F417 HydrophobicContact CB-CD1 3.6Å; L84-F417 HydrophobicContact CB-CE1 4.2Å; L84-F417 HydrophobicContact CB-CG 4.45Å; L84-F417 HydrophobicContact CD1-CB 3.83Å; L84-F417 HydrophobicContact CD1-CD1 4.05Å; L84-F417 HydrophobicContact CD1-CG 4.1Å; L84-F417 HydrophobicContact CG-CD1 4.48Å; F85-F417 HydrophobicContact CB-CE1 4.39Å; R89-F417 CarbonylContact O-C 3.5Å; R89-F417 WeakPolarHBondContact O-CA 3.06Å; W90-F417 HydrophobicContact CB-CD1 3.7Å; W90-F417 HydrophobicContact CB-CE1 3.96Å; W90-F417 HydrophobicContact CB-CG 4.43Å; W152-F417 HydrophobicContact CZ2-CB 3.71Å; W152-F417 AromaticContact CZ2-CD2 3.82Å; W152-F417 HydrophobicContact CZ2-CD2 3.82Å; W152-F417 AromaticContact CZ2-CG 3.87Å; W152-F417 HydrophobicContact CZ2-CG 3.87Å; L154-F417 HydrophobicContact CD2-CB 4.32Å; L409-F417 HydrophobicContact CD2-CZ 4.24Å; M412-F417 HydrophobicContact CB-CE2 4.3Å; M412-F417 HydrophobicContact CG-CE2 3.86Å; M412-F417 HydrophobicContact CG-CZ 4.25Å; M412-F417 HydrophobicContact SD-CE1 4.43Å; M412-F417 HydrophobicContact SD-CE2 3.62Å; M412-F417 HydrophobicContact SD-CZ 3.44Å; M412-F417 WeakPolarHBondContact SD-CZ 3.29Å; R414-F417 PolarHBondContact O-N 3.33Å; H415-F417 PolarHBondContact O-N 3.42Å
418L74.2Confident84.7Confident96 Ų9641.1 Ų41.150%0.50320%0.203SC..  trans-1180-175.4-63.5174.4000114R89 Y91 L154 D155R89-L418 WeakPolarHBondContact CB-O 3.32Å; R89-L418 WeakPolarHBondContact CD-O 3.42Å; R89-L418 PolarHBondContact O-N 3.41Å; Y91-L418 HydrophobicContact CD1-CD1 4.11Å; Y91-L418 HydrophobicContact CD1-CD2 4.13Å; Y91-L418 HydrophobicContact CD1-CG 3.9Å; Y91-L418 HydrophobicContact CE1-CD2 3.91Å; Y91-L418 HydrophobicContact CE1-CG 4.16Å; L154-L418 WeakPolarHBondContact CA-OXT 3.42Å; L154-L418 VanDerWaalsContact CD2-C 3.42Å; D155-L418 PolarHBondContact N-OXT 3.26Å

Retrieved 418 of 418 residues in 392.6 ms (Link to these results)

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