A0A5K4FAM8_SCHMA Loading...

Neprilysin-2

AlphaFold DB , UniProt , Accession A0A5K4FAM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 706 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
1M40.7Very low35Very low181 Ų181110.5 Ų110.589%0.89257%0.566SS**  0117.50-66.6174.491.500107Q5 L6M1-Q5 VanDerWaalsContact CA-OE1 3.25Å; M1-L6 HydrophobicContact CB-CD1 4.39Å
2S42.8Very low35.1Very low58 Ų58103.5 Ų103.541%0.40653%0.533SS..  trans-70.2154.9174.562.90000109.6D4 Q5 L6S2-D4 PolarHBondContact O-N 2.82Å; S2-D4 VanDerWaalsContact O-N 3.12Å; S2-Q5 WeakPolarHBondContact O-CB 3.48Å; S2-Q5 PolarHBondContact O-N 3.28Å; S2-L6 PolarHBondContact O-N 3.16Å
3T36.2Very low34.9Very low113 Ų113101.6 Ų101.669%0.69353%0.529SS*.Hα-helixtrans-51.6-30.6173.630.20000112.6L6 Y7T3-L6 PolarHBondContact O-N 3.42Å; T3-Y7 PolarHBondContact O-N 3.41Å
4D35.5Very low34.6Very low121 Ų121102.9 Ų102.965%0.64754%0.535SS*.Hα-helixtrans-69.7-36.7176.6-59.8-34.7000112.9S2 Y7 F8S2-D4 PolarHBondContact O-N 2.82Å; S2-D4 VanDerWaalsContact O-N 3.12Å; D4-Y7 PolarHBondContact O-N 3.08Å; D4-F8 WeakPolarHBondContact O-CB 3.07Å; D4-F8 PolarHBondContact O-N 2.86Å
5Q38Very low34.7Very low105 Ų105103.5 Ų103.549%0.49153%0.534SS..Hα-helixtrans-65.9-38175.4-78.6-179.3-31.200112.2M1 S2 T9M1-Q5 VanDerWaalsContact CA-OE1 3.25Å; S2-Q5 WeakPolarHBondContact O-CB 3.48Å; S2-Q5 PolarHBondContact O-N 3.28Å; Q5-T9 PolarHBondContact O-N 2.89Å; Q5-T9 VanDerWaalsContact O-N 3.11Å; Q5-T9 PolarHBondContact O-OG1 3.45Å
6L32.1Very low35Very low103 Ų103104.3 Ų104.354%0.53953%0.529SS..Hα-helixtrans-71.2-38.5176.4-106.4136.2000111.8M1 S2 T3 T9 A10M1-L6 HydrophobicContact CB-CD1 4.39Å; S2-L6 PolarHBondContact O-N 3.16Å; T3-L6 PolarHBondContact O-N 3.42Å; L6-T9 WeakPolarHBondContact CA-OG1 3.35Å; L6-T9 PolarHBondContact O-OG1 3.03Å; L6-A10 VanDerWaalsContact O-CB 3.26Å; L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 2.73Å
7Y30.9Very low35.1Very low169 Ų169102.9 Ų102.966%0.66353%0.527SS*.Hα-helixtrans-68.2-38176.3-116.3-88.4000112.5T3 D4 K11T3-Y7 PolarHBondContact O-N 3.41Å; D4-Y7 PolarHBondContact O-N 3.08Å; Y7-K11 WeakPolarHBondContact O-CB 3.04Å; Y7-K11 PolarHBondContact O-N 2.75Å
8F35Very low35Very low111 Ų11199.6 Ų99.649%0.48751%0.514SS..Hα-helixtrans-72.8-42.2179.8-160-91.4000112.3D4 K11 T12 Y235D4-F8 WeakPolarHBondContact O-CB 3.07Å; D4-F8 PolarHBondContact O-N 2.86Å; F8-K11 PolarHBondContact O-N 2.99Å; F8-T12 HydrophobicContact CD1-CG2 4.14Å; F8-T12 HydrophobicContact CE1-CG2 3.88Å; F8-T12 WeakPolarHBondContact O-CB 3.25Å; F8-T12 PolarHBondContact O-N 3.24Å; F8-T12 PolarHBondContact O-OG1 3.48Å; F8-Y235 HydrophobicContact CE1-CD2 4.4Å
9T34.5Very low35.4Very low71 Ų7196.5 Ų96.544%0.43650%0.501SS..Hα-helixtrans-65.1-37.8174.3410000111.9Q5 L6 T12 T13Q5-T9 PolarHBondContact O-N 2.89Å; Q5-T9 VanDerWaalsContact O-N 3.11Å; Q5-T9 PolarHBondContact O-OG1 3.45Å; L6-T9 WeakPolarHBondContact CA-OG1 3.35Å; L6-T9 PolarHBondContact O-OG1 3.03Å; T9-T12 VanDerWaalsContact CA-OG1 3.31Å; T9-T12 WeakPolarHBondContact CA-OG1 3.44Å; T9-T12 PolarHBondContact O-OG1 3.32Å; T9-T12 VanDerWaalsContact O-OG1 3.07Å; T9-T13 WeakPolarHBondContact O-CB 3.26Å; T9-T13 PolarHBondContact O-N 2.95Å; T9-T13 PolarHBondContact O-OG1 2.04Å
10A29.1Very low35.5Very low45 Ų4598.6 Ų98.637%0.37251%0.509SS..Hα-helixtrans-67.3-44.5175.200000112.4L6 T13 I14L6-A10 VanDerWaalsContact O-CB 3.26Å; L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 2.73Å; A10-T13 PolarHBondContact O-N 2.74Å; A10-I14 WeakPolarHBondContact O-CB 3.41Å; A10-I14 VanDerWaalsContact O-CG1 3.24Å; A10-I14 WeakPolarHBondContact O-CG1 3.4Å; A10-I14 PolarHBondContact O-N 2.65Å
11K30.8Very low35.7Very low138 Ų13897.4 Ų97.460%0.650%0.503SS*.Hα-helixtrans-63.8-42.8176.7-91.6-173.8174.1179.60112.7Y7 F8 I14 Q15Y7-K11 WeakPolarHBondContact O-CB 3.04Å; Y7-K11 PolarHBondContact O-N 2.75Å; F8-K11 PolarHBondContact O-N 2.99Å; K11-I14 PolarHBondContact O-N 2.94Å; K11-Q15 WeakPolarHBondContact O-CB 3.5Å; K11-Q15 WeakPolarHBondContact O-CG 3.01Å; K11-Q15 PolarHBondContact O-N 3.43Å
12T35.4Very low35.6Very low27 Ų2796 Ų9617%0.16649%0.489CS..Hα-helixtrans-64.3-45.3176.243.10000110.4F8 T9 I14 Q15 Y16F8-T12 HydrophobicContact CD1-CG2 4.14Å; F8-T12 HydrophobicContact CE1-CG2 3.88Å; F8-T12 WeakPolarHBondContact O-CB 3.25Å; F8-T12 PolarHBondContact O-N 3.24Å; F8-T12 PolarHBondContact O-OG1 3.48Å; T9-T12 VanDerWaalsContact CA-OG1 3.31Å; T9-T12 WeakPolarHBondContact CA-OG1 3.44Å; T9-T12 PolarHBondContact O-OG1 3.32Å; T9-T12 VanDerWaalsContact O-OG1 3.07Å; T12-I14 PolarHBondContact O-N 3.23Å; T12-Q15 CarbonylContact O-C 3.57Å; T12-Q15 PolarHBondContact O-N 3.18Å; T12-Y16 VanDerWaalsContact C-CE2 3.49Å; T12-Y16 VanDerWaalsContact CB-CE2 3.45Å; T12-Y16 HydrophobicContact CG2-CE2 4.37Å; T12-Y16 WeakPolarHBondContact O-CB 3.35Å; T12-Y16 WeakPolarHBondContact O-CD2 3.37Å; T12-Y16 WeakPolarHBondContact O-CE2 3.26Å; T12-Y16 PolarHBondContact O-N 3.13Å
13T33.1Very low35.5Very low79 Ų7996.8 Ų96.849%0.48549%0.485SS..Hα-helixtrans-61.2-42176.2-47.80000113.4T9 A10 Y16 V17T9-T13 WeakPolarHBondContact O-CB 3.26Å; T9-T13 PolarHBondContact O-N 2.95Å; T9-T13 PolarHBondContact O-OG1 2.04Å; A10-T13 PolarHBondContact O-N 2.74Å; T13-Y16 PolarHBondContact O-N 3.49Å; T13-V17 WeakPolarHBondContact O-CG2 3.31Å; T13-V17 PolarHBondContact O-N 3.44Å
14I30.9Very low35.6Very low120 Ų12094 Ų9462%0.61547%0.468SS*.Hα-helixtrans-69.2-37.3177.5-67.4166.4000111.1A10 K11 T12 S18A10-I14 WeakPolarHBondContact O-CB 3.41Å; A10-I14 VanDerWaalsContact O-CG1 3.24Å; A10-I14 WeakPolarHBondContact O-CG1 3.4Å; A10-I14 PolarHBondContact O-N 2.65Å; K11-I14 PolarHBondContact O-N 2.94Å; T12-I14 PolarHBondContact O-N 3.23Å; I14-S18 PolarHBondContact O-N 2.76Å; I14-S18 PolarHBondContact O-OG 3.19Å
15Q34.9Very low35.4Very low112 Ų11295 Ų9552%0.52347%0.467SS..Hα-helixtrans-66.5-34.5170.3-80.7179.8-40.400112.3K11 T12 S18 V19K11-Q15 WeakPolarHBondContact O-CB 3.5Å; K11-Q15 WeakPolarHBondContact O-CG 3.01Å; K11-Q15 PolarHBondContact O-N 3.43Å; T12-Q15 CarbonylContact O-C 3.57Å; T12-Q15 PolarHBondContact O-N 3.18Å; Q15-S18 VanDerWaalsContact CA-OG 3.23Å; Q15-S18 WeakPolarHBondContact CA-OG 3.42Å; Q15-S18 CarbonylContact O-C 3.56Å; Q15-S18 PolarHBondContact O-N 2.93Å; Q15-S18 PolarHBondContact O-OG 2.73Å; Q15-V19 VanDerWaalsContact O-CG2 3.32Å; Q15-V19 WeakPolarHBondContact O-CG2 3.41Å; Q15-V19 PolarHBondContact O-N 3.27Å
16Y40.9Very low35.3Very low115 Ų11595.2 Ų95.245%0.45148%0.48SS..Hα-helixtrans-70.8-42.8178.2-66.8-47.9000113.3T12 T13 S18 V19 M20T12-Y16 VanDerWaalsContact C-CE2 3.49Å; T12-Y16 VanDerWaalsContact CB-CE2 3.45Å; T12-Y16 HydrophobicContact CG2-CE2 4.37Å; T12-Y16 WeakPolarHBondContact O-CB 3.35Å; T12-Y16 WeakPolarHBondContact O-CD2 3.37Å; T12-Y16 WeakPolarHBondContact O-CE2 3.26Å; T12-Y16 PolarHBondContact O-N 3.13Å; T13-Y16 PolarHBondContact O-N 3.49Å; Y16-S18 PolarHBondContact O-N 3.5Å; Y16-V19 PolarHBondContact O-N 2.87Å; Y16-M20 PolarHBondContact O-N 3.39Å
17V35.8Very low35.5Very low81 Ų8193.7 Ų93.749%0.49148%0.477SS..Hα-helixtrans-61.2-39.4172.9172.40000109.2T13 I21T13-V17 WeakPolarHBondContact O-CG2 3.31Å; T13-V17 PolarHBondContact O-N 3.44Å; V17-I21 HydrophobicContact CG1-CD1 3.39Å; V17-I21 HydrophobicContact CG1-CG1 4.13Å; V17-I21 WeakPolarHBondContact O-CB 3.04Å; V17-I21 WeakPolarHBondContact O-CD1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 3.01Å
18S33.7Very low35.4Very low43 Ų4388.7 Ų88.730%0.30147%0.466SS..Hα-helixtrans-70.3-33.5174.638.20000113.8I14 Q15 Y16 I21 Y22I14-S18 PolarHBondContact O-N 2.76Å; I14-S18 PolarHBondContact O-OG 3.19Å; Q15-S18 VanDerWaalsContact CA-OG 3.23Å; Q15-S18 WeakPolarHBondContact CA-OG 3.42Å; Q15-S18 CarbonylContact O-C 3.56Å; Q15-S18 PolarHBondContact O-N 2.93Å; Q15-S18 PolarHBondContact O-OG 2.73Å; Y16-S18 PolarHBondContact O-N 3.5Å; S18-I21 CarbonylContact O-C 3.56Å; S18-I21 PolarHBondContact O-N 2.97Å; S18-Y22 VanDerWaalsContact O-CB 3.22Å; S18-Y22 WeakPolarHBondContact O-CB 3.27Å; S18-Y22 WeakPolarHBondContact O-CD2 3.19Å; S18-Y22 PolarHBondContact O-N 3.03Å
19V42.4Very low35.1Very low42 Ų4292.5 Ų92.526%0.25549%0.485SS..Hα-helixtrans-67-46.7173.9170.30000111.7Q15 Y16 Y22 F23 A219Q15-V19 VanDerWaalsContact O-CG2 3.32Å; Q15-V19 WeakPolarHBondContact O-CG2 3.41Å; Q15-V19 PolarHBondContact O-N 3.27Å; Y16-V19 PolarHBondContact O-N 2.87Å; V19-Y22 PolarHBondContact O-N 3.34Å; V19-F23 HydrophobicContact CG1-CD2 4.11Å; V19-F23 HydrophobicContact CG1-CE2 4.35Å; V19-F23 WeakPolarHBondContact O-CD2 3.35Å; V19-F23 PolarHBondContact O-N 3.15Å; V19-A219 HydrophobicContact CG1-CB 3.92Å
20M38.3Very low35Very low137 Ų13792.6 Ų92.668%0.67550%0.5SS*.Hα-helixtrans-64.1-43.2174.6-72.7-67.8-94.300110.6Y16 Y22 F23 V24Y16-M20 PolarHBondContact O-N 3.39Å; M20-Y22 PolarHBondContact O-N 2.05Å; M20-F23 PolarHBondContact O-N 3.41Å; M20-V24 WeakPolarHBondContact O-CB 3.02Å; M20-V24 WeakPolarHBondContact O-CG2 3.37Å; M20-V24 PolarHBondContact O-N 3.39Å
21I38.6Very low35.1Very low75 Ų7597.4 Ų97.439%0.38552%0.518SS..Hα-helixtrans-62.5-39.6173.5-74.6175.8000111.2V17 S18 V24 F25V17-I21 HydrophobicContact CG1-CD1 3.39Å; V17-I21 HydrophobicContact CG1-CG1 4.13Å; V17-I21 WeakPolarHBondContact O-CB 3.04Å; V17-I21 WeakPolarHBondContact O-CD1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 3.01Å; S18-I21 CarbonylContact O-C 3.56Å; S18-I21 PolarHBondContact O-N 2.97Å; I21-V24 CarbonylContact O-C 3.53Å; I21-V24 PolarHBondContact O-N 3.17Å; I21-F25 HydrophobicContact CB-CD2 4.19Å; I21-F25 HydrophobicContact CB-CE2 4.5Å; I21-F25 HydrophobicContact CG2-CD2 3.31Å; I21-F25 HydrophobicContact CG2-CE2 3.58Å; I21-F25 HydrophobicContact CG2-CG 4.26Å; I21-F25 WeakPolarHBondContact O-CA 3.45Å; I21-F25 WeakPolarHBondContact O-CB 3.32Å; I21-F25 VanDerWaalsContact O-CD2 3.26Å; I21-F25 WeakPolarHBondContact O-CD2 3.37Å; I21-F25 PolarHBondContact O-N 3.44Å
22Y38.2Very low34.9Very low151 Ų15194.7 Ų94.759%0.59252%0.521SS*.Hα-helixtrans-69.8-41-179.6-98.7-77.5000111.8S18 V19 M20 V24 S26S18-Y22 VanDerWaalsContact O-CB 3.22Å; S18-Y22 WeakPolarHBondContact O-CB 3.27Å; S18-Y22 WeakPolarHBondContact O-CD2 3.19Å; S18-Y22 PolarHBondContact O-N 3.03Å; V19-Y22 PolarHBondContact O-N 3.34Å; M20-Y22 PolarHBondContact O-N 2.05Å; Y22-V24 VanDerWaalsContact C-N 3.34Å; Y22-S26 PolarHBondContact O-N 3.34Å
23F40.3Very low34.7Very low75 Ų75100.2 Ų100.233%0.32955%0.549SS..Hα-helixtrans-67-35.2172.3-87.8-84.9000112V19 M20 A219 L347V19-F23 HydrophobicContact CG1-CD2 4.11Å; V19-F23 HydrophobicContact CG1-CE2 4.35Å; V19-F23 WeakPolarHBondContact O-CD2 3.35Å; V19-F23 PolarHBondContact O-N 3.15Å; M20-F23 PolarHBondContact O-N 3.41Å; F23-A219 HydrophobicContact CE2-CB 3.95Å; F23-L347 HydrophobicContact CE1-CD2 4.24Å
24V39.9Very low34.6Very low53 Ų53101.6 Ų101.632%0.32156%0.561SS.*Hα-helixtrans-75.8-43.4178.1171.20000112.2M20 I21 Y22 S26 C27 C28M20-V24 WeakPolarHBondContact O-CB 3.02Å; M20-V24 WeakPolarHBondContact O-CG2 3.37Å; M20-V24 PolarHBondContact O-N 3.39Å; I21-V24 CarbonylContact O-C 3.53Å; I21-V24 PolarHBondContact O-N 3.17Å; Y22-V24 VanDerWaalsContact C-N 3.34Å; V24-S26 PolarHBondContact O-N 2.91Å; V24-C27 CarbonylContact O-C 3.38Å; V24-C27 WeakPolarHBondContact O-CA 3.48Å; V24-C27 PolarHBondContact O-N 2.83Å; V24-C28 VanDerWaalsContact CG1-SG 3.54Å; V24-C28 WeakPolarHBondContact O-CB 3.23Å; V24-C28 PolarHBondContact O-N 3.27Å; V24-C28 PolarHBondContact O-SG 2.89Å; V24-C28 VanDerWaalsContact O-SG 3.33Å
25F31.6Very low34.4Very low144 Ų144105.1 Ų105.163%0.63258%0.575SS**Hα-helixtrans-72.5-26-178.5-90.6-97.2000113.1I21 C27I21-F25 HydrophobicContact CB-CD2 4.19Å; I21-F25 HydrophobicContact CB-CE2 4.5Å; I21-F25 HydrophobicContact CG2-CD2 3.31Å; I21-F25 HydrophobicContact CG2-CE2 3.58Å; I21-F25 HydrophobicContact CG2-CG 4.26Å; I21-F25 WeakPolarHBondContact O-CA 3.45Å; I21-F25 WeakPolarHBondContact O-CB 3.32Å; I21-F25 VanDerWaalsContact O-CD2 3.26Å; I21-F25 WeakPolarHBondContact O-CD2 3.37Å; I21-F25 PolarHBondContact O-N 3.44Å; F25-C27 PolarHBondContact O-N 3.08Å
26S35.1Very low34.1Very low109 Ų109106 Ų10676%0.76259%0.588SS**THydrogen-bonded Turntrans-68.9-15.7168.7-167.30000112.9Y22 V24Y22-S26 PolarHBondContact O-N 3.34Å; V24-S26 PolarHBondContact O-N 2.91Å
27C35.5Very low33.6Very low70 Ų70106.1 Ų106.147%0.47361%0.606SS.*THydrogen-bonded Turntrans-108.7-20.7179.3-71.80000113.5V24 F25 H29V24-C27 CarbonylContact O-C 3.38Å; V24-C27 WeakPolarHBondContact O-CA 3.48Å; V24-C27 PolarHBondContact O-N 2.83Å; F25-C27 PolarHBondContact O-N 3.08Å; C27-H29 PolarHBondContact O-N 3.27Å
28C29.8Very low33.4Very low64 Ų64107.8 Ų107.843%0.43262%0.621SS.*  trans-83.471.7-174.8-80.30000113.4V24V24-C28 VanDerWaalsContact CG1-SG 3.54Å; V24-C28 WeakPolarHBondContact O-CB 3.23Å; V24-C28 PolarHBondContact O-N 3.27Å; V24-C28 PolarHBondContact O-SG 2.89Å; V24-C28 VanDerWaalsContact O-SG 3.33Å
29H28.8Very low33.2Very low192 Ų192114.2 Ų114.289%0.88965%0.647SS**  trans-13481.9143.7-82.174.4000107.3C27C27-H29 PolarHBondContact O-N 3.27Å
30G32Very low32.7Very low72 Ų72119.6 Ų119.674%0.74267%0.674SS**  trans-160.7100.6-178.800000111.5
31I31.7Very low32.5Very low147 Ų147117.4 Ų117.475%0.75468%0.678SS**  trans-77.5152.8-168.2-69.7160.8000112.1
32A26.6Very low32.2Very low81 Ų81120.3 Ų120.367%0.66970%0.699SS**  trans-60.1128173.600000112.7
33L31.2Very low32.2Very low143 Ų143119.7 Ų119.775%0.74971%0.711SS**  trans-124.2121.5163.9-76.1169.7000109.5
34S29.9Very low32.4Very low107 Ų107119.8 Ų119.875%0.74872%0.721SS**  trans-71.7133174.250.80000110.5T36S34-T36 PolarHBondContact O-N 2.87Å
35Q26.7Very low32.8Very low195 Ų195124.5 Ų124.591%0.91174%0.744SS**  trans-71.7121.6173.2-64.4175.6-7.700109.4
36T30.1Very low33.9Very low129 Ų129122 Ų12279%0.79173%0.734SS**  trans-112.9119160.151.30000108.3S34S34-T36 PolarHBondContact O-N 2.87Å
37S28.8Very low35.4Very low119 Ų119122.7 Ų122.783%0.83273%0.734SS**  trans-61.1134.2170.444.20000110.6
38S32.6Very low37.8Very low115 Ų115122.7 Ų122.780%0.80473%0.727SS**  trans-119.3105.7164.260.70000108.9
39Q29.6Very low40.9Very low178 Ų178123.7 Ų123.783%0.83273%0.728SS**  trans-90.4140.4161.7-73.7-172-19.500109.4
40N31.4Very low44.1Very low156 Ų156115.7 Ų115.783%0.83469%0.694SS**  trans51.1100.4154.4-64.1-8.9000119.3
41A34.5Very low47.3Very low91 Ų91112.5 Ų112.575%0.75266%0.66SS**  trans-156.178.9148.900000111.1T43A41-T43 PolarHBondContact O-N 2.78Å
42T32.6Very low50.3Low135 Ų135110.7 Ų110.783%0.82865%0.648SS**  trans-74.396.2159.136.40000108.6
43T37.7Very low53.6Low138 Ų138107.7 Ų107.785%0.84762%0.621SS**  trans159.284.314936.50000112A41A41-T43 PolarHBondContact O-N 2.78Å
44S43.6Very low56.7Low78 Ų78100.9 Ų100.955%0.54559%0.585SS.*  trans-162.265.7144.677.50000109.4H46S44-H46 PolarHBondContact O-N 3.1Å
45L49.7Very low59.9Low152 Ų15295.9 Ų95.980%0.79655%0.55SS**THydrogen-bonded Turntrans-64.5120.6171.6-89.398.1000108.5
46H53.8Low63.2Low92 Ų9288.3 Ų88.343%0.42652%0.516SS..THydrogen-bonded Turntrans7554.6167.6-44.8-62000118.5S44 M48 Y57S44-H46 PolarHBondContact O-N 3.1Å; H46-M48 PolarHBondContact O-N 3.24Å; H46-Y57 HydrophobicContact CB-CD2 4.12Å; H46-Y57 HydrophobicContact CB-CE2 3.67Å; H46-Y57 AromaticContact CE1-CE2 3.83Å; H46-Y57 AromaticContact CE1-CZ 3.63Å; H46-Y57 AromaticContact CG-CE2 3.41Å; H46-Y57 VanDerWaalsContact CG-CE2 3.41Å; H46-Y57 AromaticContact CG-CZ 3.93Å; H46-Y57 AromaticContact ND1-CD2 3.52Å; H46-Y57 AromaticContact ND1-CE2 3.08Å; H46-Y57 WeakPolarHBondContact ND1-CE2 3.12Å; H46-Y57 AromaticContact ND1-CZ 3.38Å
47T67.5Low66.4Low122 Ų12284.4 Ų84.475%0.74849%0.487SS*.  trans-74.3-6.4164.453.30000113.9
48M85.9Confident69.6Low70 Ų7079.1 Ų79.135%0.34545%0.451SS..SBendtrans-106132-173.9-52.5-164.677.300110.8H46 P50 L56 Y57H46-M48 PolarHBondContact O-N 3.24Å; M48-P50 WeakPolarHBondContact O-CD 3.45Å; M48-L56 HydrophobicContact CE-CB 3.62Å; M48-L56 HydrophobicContact CE-CD1 3.41Å; M48-L56 VanDerWaalsContact CE-CD1 3.41Å; M48-L56 HydrophobicContact CE-CG 4.12Å; M48-L56 HydrophobicContact SD-CB 3.47Å; M48-L56 WeakPolarHBondContact SD-CB 3.39Å; M48-L56 HydrophobicContact SD-CD1 4.31Å; M48-L56 HydrophobicContact SD-CG 4.42Å; M48-Y57 WeakPolarHBondContact O-CD2 3.3Å
49D94.2Very high72.7Confident85 Ų8573.7 Ų73.746%0.45541%0.412SS..  trans-68.1120.6178.6-176.6-10.5000110.6C51 E52 N53D49-C51 PolarHBondContact O-N 3.39Å; D49-C51 VanDerWaalsContact O-N 3.14Å; D49-C51 VanDerWaalsContact OD1-CB 3.27Å; D49-C51 WeakPolarHBondContact OD1-CB 3.39Å; D49-C51 PolarHBondContact OD1-N 2.92Å; D49-E52 HydrophobicContact CB-CB 4.1Å; D49-E52 HydrophobicContact CB-CG 3.95Å; D49-E52 PolarHBondContact O-N 3.35Å; D49-E52 VanDerWaalsContact O-N 3.15Å; D49-N53 PolarHBondContact O-N 3.1Å; D49-N53 VanDerWaalsContact O-N 3.15Å
50P96.6Very high75.8Confident24 Ų2467.3 Ų67.316%0.15639%0.386CS..THydrogen-bonded Turntrans-59-22.517625.3-35000113.3M48 F54 Y57 Y689 M697M48-P50 WeakPolarHBondContact O-CD 3.45Å; P50-F54 HydrophobicContact CB-CD2 3.57Å; P50-F54 HydrophobicContact CB-CE2 3.88Å; P50-F54 PolarHBondContact O-N 2.75Å; P50-Y57 HydrophobicContact CB-CD1 4.24Å; P50-Y57 HydrophobicContact CB-CD2 4.13Å; P50-Y57 HydrophobicContact CB-CE2 4.43Å; P50-Y57 HydrophobicContact CB-CG 4.02Å; P50-Y57 HydrophobicContact CG-CD2 4.43Å; P50-Y57 HydrophobicContact CG-CE2 4.45Å; P50-Y689 HydrophobicContact CB-CD1 3.69Å; P50-Y689 HydrophobicContact CB-CE1 4.14Å; P50-Y689 HydrophobicContact CB-CG 4.31Å; P50-Y689 HydrophobicContact CG-CD1 3.76Å; P50-Y689 HydrophobicContact CG-CE1 4.41Å; P50-M697 WeakPolarHBondContact O-CG 3.35Å
51C97.8Very high78.7Confident6 Ų664.4 Ų64.44%0.04137%0.367CS..THydrogen-bonded Turntrans-86-16.5-179.3-60.30000114.1D49 C691 S695 M697D49-C51 PolarHBondContact O-N 3.39Å; D49-C51 VanDerWaalsContact O-N 3.14Å; D49-C51 VanDerWaalsContact OD1-CB 3.27Å; D49-C51 WeakPolarHBondContact OD1-CB 3.39Å; D49-C51 PolarHBondContact OD1-N 2.92Å; C51-C691 WeakPolarHBondContact CA-SG 3.25Å; C51-C691 HydrophobicContact CB-CB 3.66Å; C51-C691 WeakPolarHBondContact CB-SG 3.49Å; C51-C691 WeakPolarHBondContact SG-CA 3.38Å; C51-C691 WeakPolarHBondContact SG-CB 3.39Å; C51-C691 CovalentContact SG-SG 2.05Å; C51-C691 PolarHBondContact SG-SG 2.86Å; C51-S695 PolarHBondContact O-OG 3.11Å; C51-M697 VanDerWaalsContact O-CB 3.27Å; C51-M697 WeakPolarHBondContact O-CB 3.37Å; C51-M697 WeakPolarHBondContact O-CG 3.48Å; C51-M697 PolarHBondContact O-N 2.88Å
52E96.3Very high81.6Confident108 Ų10861.8 Ų61.851%0.50534%0.338SS..THydrogen-bonded Turntrans-91-46172.8-72.2-60.7126.600111.4D49 P696D49-E52 HydrophobicContact CB-CB 4.1Å; D49-E52 HydrophobicContact CB-CG 3.95Å; D49-E52 PolarHBondContact O-N 3.35Å; D49-E52 VanDerWaalsContact O-N 3.15Å; E52-P696 WeakPolarHBondContact O-CB 3.34Å; E52-P696 VanDerWaalsContact OE1-CD 3.31Å; E52-P696 WeakPolarHBondContact OE1-CD 3.49Å; E52-P696 WeakPolarHBondContact OE2-CG 3.49Å
53N95.2Very high84.5Confident18 Ų1857.6 Ų57.610%0.09631%0.309CS..  trans-157.291.4-179.5-170.3-31.2000112.1D49 Y55 L56 Y57 R672 I676D49-N53 PolarHBondContact O-N 3.1Å; D49-N53 VanDerWaalsContact O-N 3.15Å; N53-Y55 VanDerWaalsContact C-N 3.28Å; N53-Y55 PolarHBondContact O-N 3.2Å; N53-Y55 PolarHBondContact OD1-N 2.75Å; N53-L56 HydrophobicContact CB-CB 4.4Å; N53-L56 HydrophobicContact CB-CD1 4.27Å; N53-L56 HydrophobicContact CB-CG 4.41Å; N53-L56 WeakPolarHBondContact ND2-CD1 3.24Å; N53-L56 WeakPolarHBondContact ND2-CG 3.37Å; N53-L56 PolarHBondContact O-N 3.42Å; N53-L56 PolarHBondContact OD1-N 3.47Å; N53-L56 VanDerWaalsContact OD1-N 3.09Å; N53-Y57 PolarHBondContact O-N 3.42Å; N53-Y57 VanDerWaalsContact O-N 3.12Å; N53-R672 PolarHBondContact ND2-NH2 3.32Å; N53-I676 WeakPolarHBondContact OD1-CD1 3Å
54F97.2Very high87.1Confident0 Ų057.7 Ų57.70%029%0.294CS..Hα-helixtrans-64.7-30.6-177.2-162.7-103.1000114.1P50 L56 Y57 A58 F643 A647 V675 L679 F685 Y689 M697P50-F54 HydrophobicContact CB-CD2 3.57Å; P50-F54 HydrophobicContact CB-CE2 3.88Å; P50-F54 PolarHBondContact O-N 2.75Å; F54-L56 PolarHBondContact O-N 2.82Å; F54-Y57 AromaticContact CD2-CD1 3.91Å; F54-Y57 HydrophobicContact CD2-CD1 3.91Å; F54-Y57 HydrophobicContact CD2-CG 4.47Å; F54-Y57 AromaticContact CE2-CD1 3.5Å; F54-Y57 HydrophobicContact CE2-CD1 3.5Å; F54-Y57 AromaticContact CE2-CE1 3.82Å; F54-Y57 HydrophobicContact CE2-CE1 3.82Å; F54-Y57 HydrophobicContact CE2-CG 4.43Å; F54-Y57 HydrophobicContact CZ-CD1 4.03Å; F54-Y57 HydrophobicContact CZ-CE1 4.24Å; F54-Y57 WeakPolarHBondContact O-CB 3.02Å; F54-Y57 PolarHBondContact O-N 2.83Å; F54-A58 HydrophobicContact CE1-CB 4.34Å; F54-A58 WeakPolarHBondContact O-CB 3.31Å; F54-A58 PolarHBondContact O-N 2.72Å; F54-F643 HydrophobicContact CE1-CB 4.39Å; F54-F643 HydrophobicContact CZ-CB 4.37Å; F54-A647 HydrophobicContact CD1-CB 3.9Å; F54-A647 HydrophobicContact CE1-CB 3.66Å; F54-V675 HydrophobicContact CD1-CG1 4.33Å; F54-L679 HydrophobicContact CB-CD1 4.47Å; F54-L679 HydrophobicContact CD1-CD1 3.25Å; F54-L679 HydrophobicContact CE1-CD1 3.73Å; F54-L679 HydrophobicContact CG-CD1 4.09Å; F54-F685 HydrophobicContact CB-CE2 4.32Å; F54-F685 HydrophobicContact CB-CZ 3.94Å; F54-F685 AromaticContact CD1-CE2 3.94Å; F54-F685 HydrophobicContact CD1-CE2 3.94Å; F54-F685 HydrophobicContact CD1-CZ 4.42Å; F54-F685 AromaticContact CD2-CE2 3.46Å; F54-F685 HydrophobicContact CD2-CE2 3.46Å; F54-F685 VanDerWaalsContact CD2-CE2 3.46Å; F54-F685 AromaticContact CD2-CZ 3.5Å; F54-F685 HydrophobicContact CD2-CZ 3.5Å; F54-F685 HydrophobicContact CE1-CE2 4.05Å; F54-F685 AromaticContact CE2-CE2 3.63Å; F54-F685 HydrophobicContact CE2-CE2 3.63Å; F54-F685 HydrophobicContact CE2-CZ 4.1Å; F54-F685 AromaticContact CG-CE2 3.62Å; F54-F685 HydrophobicContact CG-CE2 3.62Å; F54-F685 AromaticContact CG-CZ 3.68Å; F54-F685 HydrophobicContact CG-CZ 3.68Å; F54-F685 AromaticContact CZ-CE2 3.9Å; F54-F685 HydrophobicContact CZ-CE2 3.9Å; F54-Y689 HydrophobicContact CE2-CD1 4.13Å; F54-Y689 HydrophobicContact CE2-CD2 4.05Å; F54-Y689 AromaticContact CE2-CE1 3.63Å; F54-Y689 HydrophobicContact CE2-CE1 3.63Å; F54-Y689 AromaticContact CE2-CE2 3.53Å; F54-Y689 HydrophobicContact CE2-CE2 3.53Å; F54-Y689 HydrophobicContact CE2-CG 4.32Å; F54-Y689 AromaticContact CE2-CZ 3.31Å; F54-Y689 HydrophobicContact CZ-CE1 4.3Å; F54-Y689 AromaticContact CZ-CE2 3.67Å; F54-Y689 HydrophobicContact CZ-CE2 3.67Å; F54-Y689 AromaticContact CZ-CZ 3.54Å; F54-Y689 WeakPolarHBondContact CZ-OH 3.45Å; F54-M697 HydrophobicContact CB-CE 3.56Å; F54-M697 HydrophobicContact CB-CG 4.37Å; F54-M697 HydrophobicContact CB-SD 4.07Å
55Y96.7Very high89.5Confident2 Ų258.8 Ų58.81%0.00829%0.294CS..Hα-helixtrans-61.4-46.6175.6176-92000111.1N53 Y57 A58 C59 E63 G652 R672 V675N53-Y55 VanDerWaalsContact C-N 3.28Å; N53-Y55 PolarHBondContact O-N 3.2Å; N53-Y55 PolarHBondContact OD1-N 2.75Å; Y55-Y57 VanDerWaalsContact C-N 3.32Å; Y55-Y57 PolarHBondContact O-N 2.64Å; Y55-A58 PolarHBondContact O-N 3.38Å; Y55-C59 HydrophobicContact CD1-CB 4.36Å; Y55-C59 HydrophobicContact CD2-CB 4.17Å; Y55-C59 HydrophobicContact CE1-CB 3.98Å; Y55-C59 HydrophobicContact CE2-CB 3.83Å; Y55-C59 VanDerWaalsContact CE2-SG 3.52Å; Y55-C59 HydrophobicContact CG-CB 4.45Å; Y55-C59 WeakPolarHBondContact O-CA 3.13Å; Y55-C59 VanDerWaalsContact O-CB 3.24Å; Y55-C59 WeakPolarHBondContact O-CB 3.27Å; Y55-C59 PolarHBondContact O-N 3.03Å; Y55-E63 WeakPolarHBondContact CE1-OE1 3.49Å; Y55-E63 VanDerWaalsContact CZ-OE1 3.27Å; Y55-E63 PolarHBondContact OH-OE1 3.11Å; Y55-G652 PolarHBondContact OH-N 2.93Å; Y55-G652 PolarHBondContact OH-O 3.09Å; Y55-R672 HydrophobicContact CD1-CB 3.82Å; Y55-R672 HydrophobicContact CD1-CG 3.68Å; Y55-R672 VanDerWaalsContact CD2-CA 3.46Å; Y55-R672 HydrophobicContact CD2-CB 4.14Å; Y55-R672 HydrophobicContact CD2-CG 4.47Å; Y55-R672 HydrophobicContact CE1-CB 3.96Å; Y55-R672 HydrophobicContact CE1-CG 4.27Å; Y55-R672 HydrophobicContact CE2-CB 4.21Å; Y55-R672 HydrophobicContact CG-CB 3.93Å; Y55-R672 HydrophobicContact CG-CG 3.8Å; Y55-V675 HydrophobicContact CD2-CB 4.03Å; Y55-V675 HydrophobicContact CD2-CG1 4.46Å; Y55-V675 HydrophobicContact CD2-CG2 3.91Å
56L95.8Very high91.6Very high36 Ų3653.1 Ų53.119%0.18826%0.264CS..Hα-helixtrans-68.8-34.7178.8-63177.5000111.4M48 N53 F54 A58 T60M48-L56 HydrophobicContact CE-CB 3.62Å; M48-L56 HydrophobicContact CE-CD1 3.41Å; M48-L56 VanDerWaalsContact CE-CD1 3.41Å; M48-L56 HydrophobicContact CE-CG 4.12Å; M48-L56 HydrophobicContact SD-CB 3.47Å; M48-L56 WeakPolarHBondContact SD-CB 3.39Å; M48-L56 HydrophobicContact SD-CD1 4.31Å; M48-L56 HydrophobicContact SD-CG 4.42Å; N53-L56 HydrophobicContact CB-CB 4.4Å; N53-L56 HydrophobicContact CB-CD1 4.27Å; N53-L56 HydrophobicContact CB-CG 4.41Å; N53-L56 WeakPolarHBondContact ND2-CD1 3.24Å; N53-L56 WeakPolarHBondContact ND2-CG 3.37Å; N53-L56 PolarHBondContact O-N 3.42Å; N53-L56 PolarHBondContact OD1-N 3.47Å; N53-L56 VanDerWaalsContact OD1-N 3.09Å; F54-L56 PolarHBondContact O-N 2.82Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 3.03Å; L56-T60 WeakPolarHBondContact O-CB 3.24Å; L56-T60 PolarHBondContact O-N 2.81Å; L56-T60 PolarHBondContact O-OG1 3.46Å
57Y96.2Very high93.4Very high47 Ų4753.3 Ų53.318%0.18427%0.274CS..Hα-helixtrans-58.3-42.8171.2172.8-93.2000112.7H46 M48 P50 N53 F54 Y55 L644 Y689H46-Y57 HydrophobicContact CB-CD2 4.12Å; H46-Y57 HydrophobicContact CB-CE2 3.67Å; H46-Y57 AromaticContact CE1-CE2 3.83Å; H46-Y57 AromaticContact CE1-CZ 3.63Å; H46-Y57 AromaticContact CG-CE2 3.41Å; H46-Y57 VanDerWaalsContact CG-CE2 3.41Å; H46-Y57 AromaticContact CG-CZ 3.93Å; H46-Y57 AromaticContact ND1-CD2 3.52Å; H46-Y57 AromaticContact ND1-CE2 3.08Å; H46-Y57 WeakPolarHBondContact ND1-CE2 3.12Å; H46-Y57 AromaticContact ND1-CZ 3.38Å; M48-Y57 WeakPolarHBondContact O-CD2 3.3Å; P50-Y57 HydrophobicContact CB-CD1 4.24Å; P50-Y57 HydrophobicContact CB-CD2 4.13Å; P50-Y57 HydrophobicContact CB-CE2 4.43Å; P50-Y57 HydrophobicContact CB-CG 4.02Å; P50-Y57 HydrophobicContact CG-CD2 4.43Å; P50-Y57 HydrophobicContact CG-CE2 4.45Å; N53-Y57 PolarHBondContact O-N 3.42Å; N53-Y57 VanDerWaalsContact O-N 3.12Å; F54-Y57 AromaticContact CD2-CD1 3.91Å; F54-Y57 HydrophobicContact CD2-CD1 3.91Å; F54-Y57 HydrophobicContact CD2-CG 4.47Å; F54-Y57 AromaticContact CE2-CD1 3.5Å; F54-Y57 HydrophobicContact CE2-CD1 3.5Å; F54-Y57 AromaticContact CE2-CE1 3.82Å; F54-Y57 HydrophobicContact CE2-CE1 3.82Å; F54-Y57 HydrophobicContact CE2-CG 4.43Å; F54-Y57 HydrophobicContact CZ-CD1 4.03Å; F54-Y57 HydrophobicContact CZ-CE1 4.24Å; F54-Y57 WeakPolarHBondContact O-CB 3.02Å; F54-Y57 PolarHBondContact O-N 2.83Å; Y55-Y57 VanDerWaalsContact C-N 3.32Å; Y55-Y57 PolarHBondContact O-N 2.64Å; Y57-L644 HydrophobicContact CD1-CD1 4.48Å; Y57-L644 HydrophobicContact CE1-CD1 4.16Å; Y57-Y689 HydrophobicContact CE1-CE1 4.07Å
58A96.9Very high94.4Very high9 Ų949 Ų497%0.07425%0.245CC..Hα-helixtrans-87.2-34.8-17500000114.6F54 Y55 L56 L644 A647F54-A58 HydrophobicContact CE1-CB 4.34Å; F54-A58 WeakPolarHBondContact O-CB 3.31Å; F54-A58 PolarHBondContact O-N 2.72Å; Y55-A58 PolarHBondContact O-N 3.38Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 3.03Å; A58-L644 HydrophobicContact CB-CD1 3.8Å; A58-A647 HydrophobicContact CB-CB 3.73Å
59C97Very high94.2Very high0 Ų047.5 Ų47.50%024%0.241CC..Hα-helixtrans-113.8-8.5-165.3-65.20000115.1Y55 E61 W62 E63 C651Y55-C59 HydrophobicContact CD1-CB 4.36Å; Y55-C59 HydrophobicContact CD2-CB 4.17Å; Y55-C59 HydrophobicContact CE1-CB 3.98Å; Y55-C59 HydrophobicContact CE2-CB 3.83Å; Y55-C59 VanDerWaalsContact CE2-SG 3.52Å; Y55-C59 HydrophobicContact CG-CB 4.45Å; Y55-C59 WeakPolarHBondContact O-CA 3.13Å; Y55-C59 VanDerWaalsContact O-CB 3.24Å; Y55-C59 WeakPolarHBondContact O-CB 3.27Å; Y55-C59 PolarHBondContact O-N 3.03Å; C59-E61 VanDerWaalsContact C-N 3.33Å; C59-E61 PolarHBondContact O-N 3.3Å; C59-W62 PolarHBondContact O-N 2.89Å; C59-E63 WeakPolarHBondContact O-CG 3.49Å; C59-E63 PolarHBondContact O-N 2.91Å; C59-C651 WeakPolarHBondContact CA-SG 3.49Å; C59-C651 HydrophobicContact CB-CB 3.76Å; C59-C651 WeakPolarHBondContact CB-SG 3.28Å; C59-C651 WeakPolarHBondContact SG-CA 3.44Å; C59-C651 WeakPolarHBondContact SG-CB 3.47Å; C59-C651 CovalentContact SG-SG 2.04Å; C59-C651 PolarHBondContact SG-SG 3.3Å
60T95Very high93.3Very high45 Ų4548.6 Ų48.628%0.27626%0.255SS..Hα-helixtrans-58.7-44.1-176.3-68.60000112.5L56 E63 R64L56-T60 WeakPolarHBondContact O-CB 3.24Å; L56-T60 PolarHBondContact O-N 2.81Å; L56-T60 PolarHBondContact O-OG1 3.46Å; T60-E63 PolarHBondContact O-N 3.24Å; T60-R64 PolarHBondContact O-N 3.47Å
61E93.2Very high92.2Very high94 Ų9450.1 Ų50.144%0.43926%0.262SS..Hα-helixtrans-70.3-37.6178.8-172.857.5-154.700111.4C59 R64 N65C59-E61 VanDerWaalsContact C-N 3.33Å; C59-E61 PolarHBondContact O-N 3.3Å; E61-R64 WeakPolarHBondContact O-CB 3.35Å; E61-R64 PolarHBondContact O-N 3.19Å; E61-R64 IonicContact OE2-CZ 2.84Å; E61-R64 IonicContact OE2-NE 2.8Å; E61-R64 IonicContact OE2-NH1 3.63Å; E61-R64 PolarHBondContact OE2-NH1 2.98Å; E61-N65 PolarHBondContact O-N 3.34Å; E61-N65 PolarHBondContact O-ND2 2.64Å; E61-N65 VanDerWaalsContact O-ND2 3.14Å; E61-N65 PolarHBondContact OE1-ND2 2.89Å
62W95.4Very high91.5Very high37 Ų3752.8 Ų52.814%0.1427%0.274CS..Hα-helixtrans-61.5-45.9173.8-178.795.5000111.3C59 R64 N65 N66 I75 T77 Q80 C651C59-W62 PolarHBondContact O-N 2.89Å; W62-R64 VanDerWaalsContact C-N 3.29Å; W62-R64 PolarHBondContact O-N 3.41Å; W62-N65 CarbonylContact O-C 3.58Å; W62-N65 PolarHBondContact O-N 3.48Å; W62-N66 HydrophobicContact CD2-CB 4.3Å; W62-N66 HydrophobicContact CE3-CB 4.38Å; W62-N66 HydrophobicContact CH2-CB 4.05Å; W62-N66 HydrophobicContact CZ2-CB 3.99Å; W62-N66 HydrophobicContact CZ3-CB 4.26Å; W62-N66 PolarHBondContact NE1-ND2 3.03Å; W62-N66 WeakPolarHBondContact O-CB 3.31Å; W62-N66 PolarHBondContact O-N 2.9Å; W62-N66 PolarHBondContact O-ND2 3.45Å; W62-I75 HydrophobicContact CH2-CG1 4.09Å; W62-I75 HydrophobicContact CH2-CG2 4.41Å; W62-I75 HydrophobicContact CZ3-CG2 4.5Å; W62-T77 HydrophobicContact CZ2-CG2 4.19Å; W62-Q80 HydrophobicContact CZ2-CB 4.39Å; W62-C651 HydrophobicContact CB-CB 4.42Å; W62-C651 HydrophobicContact CD2-CB 3.52Å; W62-C651 HydrophobicContact CE3-CB 3.41Å; W62-C651 VanDerWaalsContact CE3-CB 3.41Å; W62-C651 HydrophobicContact CG-CB 3.97Å; W62-C651 HydrophobicContact CH2-CB 4.46Å; W62-C651 HydrophobicContact CZ3-CB 3.93Å
63E93.7Very high91Very high46 Ų4653.5 Ų53.522%0.21527%0.272CS..Hα-helixtrans-64-34.7178.5-74.6-167.717200112.3Y55 C59 T60 N66Y55-E63 WeakPolarHBondContact CE1-OE1 3.49Å; Y55-E63 VanDerWaalsContact CZ-OE1 3.27Å; Y55-E63 PolarHBondContact OH-OE1 3.11Å; C59-E63 WeakPolarHBondContact O-CG 3.49Å; C59-E63 PolarHBondContact O-N 2.91Å; T60-E63 PolarHBondContact O-N 3.24Å; E63-N66 CarbonylContact O-C 3.49Å
64R92.6Very high90.8Very high141 Ų14155.1 Ų55.153%0.53228%0.281SS..Hα-helixtrans-64.5-41.9175.4-175.8-175.9-65.3165.3-7111.4T60 E61 W62T60-R64 PolarHBondContact O-N 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.35Å; E61-R64 PolarHBondContact O-N 3.19Å; E61-R64 IonicContact OE2-CZ 2.84Å; E61-R64 IonicContact OE2-NE 2.8Å; E61-R64 IonicContact OE2-NH1 3.63Å; E61-R64 PolarHBondContact OE2-NH1 2.98Å; W62-R64 VanDerWaalsContact C-N 3.29Å; W62-R64 PolarHBondContact O-N 3.41Å
65N93.5Very high90.6Very high101 Ų10155.3 Ų55.354%0.5428%0.282SS..Hα-helixtrans-84.2-11.5-178.1-65.6-33.4000113.4E61 W62 P67E61-N65 PolarHBondContact O-N 3.34Å; E61-N65 PolarHBondContact O-ND2 2.64Å; E61-N65 VanDerWaalsContact O-ND2 3.14Å; E61-N65 PolarHBondContact OE1-ND2 2.89Å; W62-N65 CarbonylContact O-C 3.58Å; W62-N65 PolarHBondContact O-N 3.48Å; N65-P67 WeakPolarHBondContact O-CD 3.32Å
66N93.6Very high90.6Very high32 Ų3257 Ų5717%0.17129%0.291CS..SBendtrans-126.170.3179.1-62.6-88.3000110.3W62 E63 I75 Q80W62-N66 HydrophobicContact CD2-CB 4.3Å; W62-N66 HydrophobicContact CE3-CB 4.38Å; W62-N66 HydrophobicContact CH2-CB 4.05Å; W62-N66 HydrophobicContact CZ2-CB 3.99Å; W62-N66 HydrophobicContact CZ3-CB 4.26Å; W62-N66 PolarHBondContact NE1-ND2 3.03Å; W62-N66 WeakPolarHBondContact O-CB 3.31Å; W62-N66 PolarHBondContact O-N 2.9Å; W62-N66 PolarHBondContact O-ND2 3.45Å; E63-N66 CarbonylContact O-C 3.49Å; N66-I75 HydrophobicContact CB-CG1 4.25Å; N66-I75 WeakPolarHBondContact O-CG2 3.35Å; N66-Q80 PolarHBondContact OD1-NE2 3.21Å
67P90.9Very high90.6Very high97 Ų9755.3 Ų55.363%0.6328%0.282SS*.PPolyproline II helixtrans-62.4148.8174.328.4-34.9000110.6N65 P69N65-P67 WeakPolarHBondContact O-CD 3.32Å; P67-P69 VanDerWaalsContact O-CD 3.25Å; P67-P69 WeakPolarHBondContact O-CD 3.48Å
68I88Confident90.6Very high30 Ų3055.7 Ų55.715%0.15429%0.285CS..PPolyproline II helixtrans-60.9121.1173.2-57.1173000107.8E72 I75 R653 H655I68-E72 HydrophobicContact CG2-CB 4.32Å; I68-E72 VanDerWaalsContact CG2-O 3.25Å; I68-E72 WeakPolarHBondContact CG2-O 3.39Å; I68-I75 HydrophobicContact CB-CG2 4.38Å; I68-I75 HydrophobicContact CG1-CB 4.2Å; I68-I75 HydrophobicContact CG1-CG2 3.57Å; I68-R653 HydrophobicContact CD1-CG 4.19Å; I68-H655 HydrophobicContact CD1-CB 3.95Å
69P82.1Confident90.5Very high40 Ų4056.8 Ų56.826%0.2629%0.288SS..PPolyproline II helixtrans-55.3147.7172.6-25.134.5000111.1P67 N71 E72P67-P69 VanDerWaalsContact O-CD 3.25Å; P67-P69 WeakPolarHBondContact O-CD 3.48Å; P69-N71 WeakPolarHBondContact CB-OD1 3.46Å; P69-N71 PolarHBondContact O-N 3.33Å; P69-E72 HydrophobicContact CB-CB 4.08Å; P69-E72 HydrophobicContact CB-CG 3.78Å; P69-E72 HydrophobicContact CG-CB 4.23Å; P69-E72 HydrophobicContact CG-CG 3.91Å; P69-E72 PolarHBondContact O-N 2.61Å
70S76Confident90.4Very high107 Ų10759.6 Ų59.675%0.74830%0.301SS*.THydrogen-bonded Turntrans-56.9-22.7-174.3470000114.4
71N72.5Confident90.5Very high57 Ų5757.6 Ų57.631%0.30529%0.289SS..THydrogen-bonded Turntrans-105.7-1-175.969.2-47.3000114.2P69 N356P69-N71 WeakPolarHBondContact CB-OD1 3.46Å; P69-N71 PolarHBondContact O-N 3.33Å; N71-N356 WeakPolarHBondContact CB-OD1 3.34Å
72E82.7Confident90.6Very high62 Ų6255.4 Ų55.429%0.2928%0.279SS..  trans-105.7146.9-176-67.1-68.8-179.500110.8I68 P69 K79I68-E72 HydrophobicContact CG2-CB 4.32Å; I68-E72 VanDerWaalsContact CG2-O 3.25Å; I68-E72 WeakPolarHBondContact CG2-O 3.39Å; P69-E72 HydrophobicContact CB-CB 4.08Å; P69-E72 HydrophobicContact CB-CG 3.78Å; P69-E72 HydrophobicContact CG-CB 4.23Å; P69-E72 HydrophobicContact CG-CG 3.91Å; P69-E72 PolarHBondContact O-N 2.61Å; E72-K79 VanDerWaalsContact CD-CE 3.45Å; E72-K79 WeakPolarHBondContact OE1-CE 3.42Å; E72-K79 IonicContact OE1-NZ 3.52Å; E72-K79 PolarHBondContact OE1-NZ 3.06Å; E72-K79 IonicContact OE2-NZ 3.44Å
73R87Confident90.5Very high123 Ų12356.3 Ų56.346%0.46429%0.285SS..SBendtrans-81.2-23.8-179.8-68.6-176.7-176.3161.74112.4H655 S658 Y661R73-H655 WeakPolarHBondContact O-CB 3.49Å; R73-H655 PolarHBondContact O-N 3.2Å; R73-S658 WeakPolarHBondContact CA-OG 3.33Å; R73-S658 WeakPolarHBondContact CB-OG 3.26Å; R73-S658 WeakPolarHBondContact CG-OG 3.21Å; R73-S658 WeakPolarHBondContact O-CB 3.49Å; R73-S658 PolarHBondContact O-OG 3.11Å; R73-Y661 PolarHBondContact NH1-OH 3.49Å
74D90.2Very high90.6Very high51 Ų5155.9 Ų55.927%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-156.9166.1-178.262.689.8000110.4N76 R653 V654D74-N76 PolarHBondContact OD1-ND2 2.61Å; D74-R653 CarbonylContact C-O 3.36Å; D74-R653 WeakPolarHBondContact CA-O 3.41Å; D74-R653 VanDerWaalsContact CB-O 3.26Å; D74-R653 WeakPolarHBondContact CB-O 3.47Å; D74-V654 HydrophobicContact CB-CB 4.34Å; D74-V654 HydrophobicContact CB-CG2 4.06Å
75I93.9Very high90.8Very high5 Ų549.3 Ų49.33%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-133.4134169.7-172.260.3000107.5W62 N66 I68 K79 I83 G652 R653W62-I75 HydrophobicContact CH2-CG1 4.09Å; W62-I75 HydrophobicContact CH2-CG2 4.41Å; W62-I75 HydrophobicContact CZ3-CG2 4.5Å; N66-I75 HydrophobicContact CB-CG1 4.25Å; N66-I75 WeakPolarHBondContact O-CG2 3.35Å; I68-I75 HydrophobicContact CB-CG2 4.38Å; I68-I75 HydrophobicContact CG1-CB 4.2Å; I68-I75 HydrophobicContact CG1-CG2 3.57Å; I75-K79 HydrophobicContact CD1-CB 4.06Å; I75-K79 HydrophobicContact CD1-CG 3.74Å; I75-I83 HydrophobicContact CD1-CD1 4.19Å; I75-G652 CarbonylContact O-C 3.6Å; I75-G652 WeakPolarHBondContact O-CA 3.32Å; I75-R653 HydrophobicContact CG2-CB 4.5Å; I75-R653 PolarHBondContact N-O 3.28Å; I75-R653 PolarHBondContact O-N 3.37Å
76N95.7Very high91Very high36 Ų3645.1 Ų45.119%0.19324%0.243CC..EExtended strand (participates in β ladder)trans-148.7172.6176.762.257.2000108.7D74 F78 K79 Q80 C651D74-N76 PolarHBondContact OD1-ND2 2.61Å; N76-F78 VanDerWaalsContact C-N 3.3Å; N76-F78 PolarHBondContact O-N 3.12Å; N76-F78 WeakPolarHBondContact OD1-CA 3.43Å; N76-F78 VanDerWaalsContact OD1-CB 3.29Å; N76-F78 WeakPolarHBondContact OD1-CB 3.42Å; N76-F78 PolarHBondContact OD1-N 3.26Å; N76-K79 PolarHBondContact O-N 3.19Å; N76-K79 VanDerWaalsContact O-N 3.14Å; N76-K79 PolarHBondContact OD1-N 3.33Å; N76-Q80 PolarHBondContact O-N 2.8Å; N76-C651 WeakPolarHBondContact CA-O 3.48Å
77T96.9Very high91Very high2 Ų248.7 Ų48.71%0.01226%0.259CS..Hα-helixtrans-57-37.4179.750.50000113.9W62 Q80 V81 P523 Q648 T649 C651W62-T77 HydrophobicContact CZ2-CG2 4.19Å; T77-Q80 WeakPolarHBondContact O-CB 3.38Å; T77-Q80 PolarHBondContact O-N 3Å; T77-V81 WeakPolarHBondContact O-CG2 3.4Å; T77-V81 PolarHBondContact O-N 3.47Å; T77-P523 HydrophobicContact CG2-CG 3.65Å; T77-Q648 WeakPolarHBondContact CG2-O 3.22Å; T77-T649 WeakPolarHBondContact CB-O 3.45Å; T77-T649 WeakPolarHBondContact CG2-O 3.49Å; T77-T649 PolarHBondContact OG1-O 3.29Å; T77-C651 HydrophobicContact CG2-CB 4.27Å; T77-C651 PolarHBondContact N-O 3.37Å
78F96Very high91.4Very high54 Ų5445.7 Ų45.724%0.23724%0.235CC..Hα-helixtrans-64.3-44175.7-66.7-97.9000111N76 Q80 V81 E82 P502 L519 F524 I541N76-F78 VanDerWaalsContact C-N 3.3Å; N76-F78 PolarHBondContact O-N 3.12Å; N76-F78 WeakPolarHBondContact OD1-CA 3.43Å; N76-F78 VanDerWaalsContact OD1-CB 3.29Å; N76-F78 WeakPolarHBondContact OD1-CB 3.42Å; N76-F78 PolarHBondContact OD1-N 3.26Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 3.1Å; F78-V81 PolarHBondContact O-N 3.36Å; F78-E82 PolarHBondContact O-N 3.14Å; F78-P502 HydrophobicContact CD1-CB 4.45Å; F78-P502 VanDerWaalsContact CD1-O 3.29Å; F78-P502 WeakPolarHBondContact CD1-O 3.37Å; F78-P502 WeakPolarHBondContact O-CG 3.34Å; F78-L519 HydrophobicContact CD1-CD2 4.31Å; F78-L519 HydrophobicContact CE1-CD2 3.98Å; F78-F524 HydrophobicContact CB-CZ 4.38Å; F78-F524 HydrophobicContact CD1-CE1 4.39Å; F78-F524 HydrophobicContact CD1-CE2 4.29Å; F78-F524 AromaticContact CD1-CZ 3.71Å; F78-F524 HydrophobicContact CD1-CZ 3.71Å; F78-F524 HydrophobicContact CD2-CE1 4.2Å; F78-F524 AromaticContact CD2-CZ 3.8Å; F78-F524 HydrophobicContact CD2-CZ 3.8Å; F78-F524 HydrophobicContact CE1-CE1 4.11Å; F78-F524 AromaticContact CE1-CZ 3.87Å; F78-F524 HydrophobicContact CE1-CZ 3.87Å; F78-F524 AromaticContact CE2-CE1 3.87Å; F78-F524 HydrophobicContact CE2-CE1 3.87Å; F78-F524 AromaticContact CE2-CZ 3.93Å; F78-F524 HydrophobicContact CE2-CZ 3.93Å; F78-F524 HydrophobicContact CG-CE1 4.45Å; F78-F524 HydrophobicContact CG-CE2 4.5Å; F78-F524 AromaticContact CG-CZ 3.7Å; F78-F524 HydrophobicContact CG-CZ 3.7Å; F78-F524 AromaticContact CZ-CE1 3.83Å; F78-F524 HydrophobicContact CZ-CE1 3.83Å; F78-F524 AromaticContact CZ-CZ 3.97Å; F78-F524 HydrophobicContact CZ-CZ 3.97Å; F78-I541 HydrophobicContact CE1-CD1 4.01Å; F78-I541 HydrophobicContact CZ-CD1 3.67Å; F78-I541 HydrophobicContact CZ-CG1 4.25Å
79K94.3Very high91.8Very high33 Ų3344.3 Ų44.314%0.14323%0.228CC..Hα-helixtrans-65.5-36.9175.3-176.559176.4-168.90112.2E72 I75 N76 V81 E82 I83E72-K79 VanDerWaalsContact CD-CE 3.45Å; E72-K79 WeakPolarHBondContact OE1-CE 3.42Å; E72-K79 IonicContact OE1-NZ 3.52Å; E72-K79 PolarHBondContact OE1-NZ 3.06Å; E72-K79 IonicContact OE2-NZ 3.44Å; I75-K79 HydrophobicContact CD1-CB 4.06Å; I75-K79 HydrophobicContact CD1-CG 3.74Å; N76-K79 PolarHBondContact O-N 3.19Å; N76-K79 VanDerWaalsContact O-N 3.14Å; N76-K79 PolarHBondContact OD1-N 3.33Å; K79-V81 VanDerWaalsContact C-N 3.33Å; K79-V81 PolarHBondContact O-N 3.06Å; K79-E82 HydrophobicContact CD-CB 4.44Å; K79-E82 WeakPolarHBondContact CD-OE2 3.33Å; K79-E82 IonicContact NZ-OE2 2.87Å; K79-E82 PolarHBondContact NZ-OE2 3.21Å; K79-E82 WeakPolarHBondContact O-CB 3.17Å; K79-E82 PolarHBondContact O-N 2.79Å; K79-I83 HydrophobicContact CG-CD1 4.27Å; K79-I83 WeakPolarHBondContact O-CG1 3.33Å; K79-I83 PolarHBondContact O-N 3.12Å
80Q94.6Very high92.5Very high59 Ų5945.1 Ų45.128%0.27623%0.226SC..Hα-helixtrans-60.1-44.4173.9-173.5-171.715.100111.2W62 N66 N76 T77 F78 E82 I83 A84W62-Q80 HydrophobicContact CZ2-CB 4.39Å; N66-Q80 PolarHBondContact OD1-NE2 3.21Å; N76-Q80 PolarHBondContact O-N 2.8Å; T77-Q80 WeakPolarHBondContact O-CB 3.38Å; T77-Q80 PolarHBondContact O-N 3Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 3.1Å; Q80-E82 VanDerWaalsContact C-N 3.35Å; Q80-I83 PolarHBondContact O-N 3.15Å; Q80-A84 PolarHBondContact O-N 3.05Å
81V97Very high93.5Very high2 Ų244.8 Ų44.81%0.01222%0.216CC..Hα-helixtrans-66.8-36.2176.3173.70000112T77 F78 K79 I83 A84 T85 P502 G518 Q521 P522 F524T77-V81 WeakPolarHBondContact O-CG2 3.4Å; T77-V81 PolarHBondContact O-N 3.47Å; F78-V81 PolarHBondContact O-N 3.36Å; K79-V81 VanDerWaalsContact C-N 3.33Å; K79-V81 PolarHBondContact O-N 3.06Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-A84 PolarHBondContact O-N 3.19Å; V81-T85 WeakPolarHBondContact O-CB 3.49Å; V81-T85 PolarHBondContact O-N 3.47Å; V81-T85 PolarHBondContact O-OG1 3.4Å; V81-P502 HydrophobicContact CB-CB 4.06Å; V81-P502 HydrophobicContact CB-CG 4.36Å; V81-P502 HydrophobicContact CG1-CB 3.72Å; V81-P502 HydrophobicContact CG1-CG 4.22Å; V81-G518 VanDerWaalsContact CG1-O 3.3Å; V81-G518 WeakPolarHBondContact CG1-O 3.47Å; V81-Q521 HydrophobicContact CG1-CB 4.01Å; V81-Q521 HydrophobicContact CG1-CG 4.46Å; V81-Q521 VanDerWaalsContact CG1-NE2 3.28Å; V81-Q521 HydrophobicContact CG2-CB 4.39Å; V81-P522 WeakPolarHBondContact CG2-O 3.44Å; V81-F524 HydrophobicContact CB-CE2 4.08Å; V81-F524 HydrophobicContact CG2-CD2 3.9Å; V81-F524 HydrophobicContact CG2-CE2 3.52Å
82E95.4Very high94.6Very high49 Ų4942.5 Ų42.523%0.22920%0.204CC..Hα-helixtrans-59.2-46.4171.3-169.1-170.3-174.600111.1F78 K79 Q80 T85 D86 K375 P502F78-E82 PolarHBondContact O-N 3.14Å; K79-E82 HydrophobicContact CD-CB 4.44Å; K79-E82 WeakPolarHBondContact CD-OE2 3.33Å; K79-E82 IonicContact NZ-OE2 2.87Å; K79-E82 PolarHBondContact NZ-OE2 3.21Å; K79-E82 WeakPolarHBondContact O-CB 3.17Å; K79-E82 PolarHBondContact O-N 2.79Å; Q80-E82 VanDerWaalsContact C-N 3.35Å; E82-T85 WeakPolarHBondContact O-CB 3.43Å; E82-T85 PolarHBondContact O-N 2.87Å; E82-D86 PolarHBondContact O-N 2.91Å; E82-K375 IonicContact OE1-NZ 3.54Å; E82-P502 HydrophobicContact CB-CG 4.27Å
83I93.5Very high95.3Very high55 Ų5539.7 Ų39.728%0.28219%0.191SC..Hα-helixtrans-62.8-43.6177.5-67.7165.6000111.3I75 K79 Q80 V81 T85 D86 Q87I75-I83 HydrophobicContact CD1-CD1 4.19Å; K79-I83 HydrophobicContact CG-CD1 4.27Å; K79-I83 WeakPolarHBondContact O-CG1 3.33Å; K79-I83 PolarHBondContact O-N 3.12Å; Q80-I83 PolarHBondContact O-N 3.15Å; V81-I83 VanDerWaalsContact C-N 3.35Å; I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 PolarHBondContact O-N 3.39Å; I83-D86 PolarHBondContact O-N 3.3Å; I83-Q87 WeakPolarHBondContact O-CG 3.48Å; I83-Q87 PolarHBondContact O-N 2.84Å
84A95.3Very high95.5Very high38 Ų3836.2 Ų36.231%0.31419%0.188SC..Hα-helixtrans-62.7-39.817700000111.8Q80 V81 Q87 Y88Q80-A84 PolarHBondContact O-N 3.05Å; V81-A84 PolarHBondContact O-N 3.19Å; A84-Q87 PolarHBondContact O-N 3.37Å; A84-Y88 PolarHBondContact O-N 3.32Å
85T98Very high95.7Very high3 Ų337.6 Ų37.62%0.01820%0.196CC..Hα-helixtrans-63.8-41.7175.4-56.50000111.1V81 E82 I83 Y88 F89 F386 Y500 Q521V81-T85 WeakPolarHBondContact O-CB 3.49Å; V81-T85 PolarHBondContact O-N 3.47Å; V81-T85 PolarHBondContact O-OG1 3.4Å; E82-T85 WeakPolarHBondContact O-CB 3.43Å; E82-T85 PolarHBondContact O-N 2.87Å; I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 PolarHBondContact O-N 3.39Å; T85-Y88 WeakPolarHBondContact O-CB 3.45Å; T85-Y88 PolarHBondContact O-N 2.7Å; T85-F89 HydrophobicContact CG2-CD2 4.12Å; T85-F89 HydrophobicContact CG2-CE2 3.48Å; T85-F89 VanDerWaalsContact CG2-CE2 3.48Å; T85-F89 HydrophobicContact CG2-CZ 3.75Å; T85-F89 WeakPolarHBondContact O-CD2 3.33Å; T85-F89 WeakPolarHBondContact O-CG 3.43Å; T85-F89 PolarHBondContact O-N 2.83Å; T85-F386 HydrophobicContact CG2-CD2 4.09Å; T85-F386 HydrophobicContact CG2-CE2 3.93Å; T85-Y500 HydrophobicContact CG2-CD2 4.1Å; T85-Y500 HydrophobicContact CG2-CG 4.5Å; T85-Q521 PolarHBondContact OG1-NE2 3.29Å
86D96.5Very high95.4Very high12 Ų1243.3 Ų43.36%0.06422%0.22CC..Hα-helixtrans-65.6-37.4175.9-76-6.2000112.7E82 I83 F89 Y90 F366 M371 K375E82-D86 PolarHBondContact O-N 2.91Å; I83-D86 PolarHBondContact O-N 3.3Å; D86-F89 PolarHBondContact O-N 3.38Å; D86-Y90 WeakPolarHBondContact O-CB 3.41Å; D86-Y90 PolarHBondContact O-N 3.23Å; D86-F366 HydrophobicContact CB-CE2 4.29Å; D86-F366 HydrophobicContact CB-CZ 3.87Å; D86-M371 HydrophobicContact CB-CG 3.92Å; D86-K375 VanDerWaalsContact OD1-CD 3.27Å; D86-K375 WeakPolarHBondContact OD1-CD 3.42Å; D86-K375 WeakPolarHBondContact OD1-CE 3.46Å; D86-K375 IonicContact OD1-NZ 3.8Å; D86-K375 PolarHBondContact OD1-NZ 3.25Å; D86-K375 IonicContact OD2-NZ 2.82Å; D86-K375 PolarHBondContact OD2-NZ 2.92Å
87Q95.4Very high95.4Very high108 Ų10845.9 Ų45.951%0.50524%0.241SC..Hα-helixtrans-64.9-41.8173.3-72.9174.4-10.800111.7I83 A84 F89 Y90 N91I83-Q87 WeakPolarHBondContact O-CG 3.48Å; I83-Q87 PolarHBondContact O-N 2.84Å; A84-Q87 PolarHBondContact O-N 3.37Å; Q87-F89 PolarHBondContact O-N 3.47Å; Q87-Y90 PolarHBondContact O-N 3.02Å; Q87-N91 PolarHBondContact O-N 3.03Å; Q87-N91 PolarHBondContact O-ND2 3.27Å
88Y97.5Very high95.3Very high34 Ų3449.2 Ų49.213%0.13325%0.254CS..Hα-helixtrans-57.7-48.3172.5167-98.4000111.4A84 T85 Y90 N91 I92 H385 F386 S389 H390A84-Y88 PolarHBondContact O-N 3.32Å; T85-Y88 WeakPolarHBondContact O-CB 3.45Å; T85-Y88 PolarHBondContact O-N 2.7Å; Y88-Y90 VanDerWaalsContact C-N 3.35Å; Y88-Y90 PolarHBondContact O-N 3.46Å; Y88-N91 PolarHBondContact O-N 3.29Å; Y88-I92 HydrophobicContact CD2-CG2 4.47Å; Y88-I92 HydrophobicContact CE1-CD1 4.09Å; Y88-I92 HydrophobicContact CE1-CG2 4.45Å; Y88-I92 HydrophobicContact CE2-CG2 3.92Å; Y88-I92 PolarHBondContact O-N 2.91Å; Y88-I92 VanDerWaalsContact O-N 3.13Å; Y88-H385 VanDerWaalsContact OH-C 3.24Å; Y88-H385 PolarHBondContact OH-O 3.42Å; Y88-F386 HydrophobicContact CD1-CD2 4.15Å; Y88-F386 HydrophobicContact CE1-CB 4.25Å; Y88-F386 HydrophobicContact CE1-CD2 4.27Å; Y88-S389 WeakPolarHBondContact OH-CB 3.39Å; Y88-H390 AromaticContact CD1-CE1 3.92Å; Y88-H390 AromaticContact CD2-CE1 3.72Å; Y88-H390 AromaticContact CE2-CE1 3.8Å; Y88-H390 AromaticContact CG-CE1 3.78Å; Y88-H390 AromaticContact CZ-CE1 3.96Å
89F98.1Very high95.2Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-61.6-42.2177.2-67.1-33.8000112.9T85 D86 Q87 N91 I92 I93 M371 K375 L382 F386 Y500T85-F89 HydrophobicContact CG2-CD2 4.12Å; T85-F89 HydrophobicContact CG2-CE2 3.48Å; T85-F89 VanDerWaalsContact CG2-CE2 3.48Å; T85-F89 HydrophobicContact CG2-CZ 3.75Å; T85-F89 WeakPolarHBondContact O-CD2 3.33Å; T85-F89 WeakPolarHBondContact O-CG 3.43Å; T85-F89 PolarHBondContact O-N 2.83Å; D86-F89 PolarHBondContact O-N 3.38Å; Q87-F89 PolarHBondContact O-N 3.47Å; F89-N91 VanDerWaalsContact C-N 3.31Å; F89-N91 PolarHBondContact O-N 3.44Å; F89-I92 HydrophobicContact CD1-CD1 4.15Å; F89-I92 WeakPolarHBondContact O-CG1 3.22Å; F89-I92 PolarHBondContact O-N 3.02Å; F89-I93 WeakPolarHBondContact O-CB 3.5Å; F89-I93 WeakPolarHBondContact O-CD1 3.44Å; F89-I93 VanDerWaalsContact O-CG1 3.24Å; F89-I93 WeakPolarHBondContact O-CG1 3.42Å; F89-I93 PolarHBondContact O-N 2.92Å; F89-M371 HydrophobicContact CB-CE 3.91Å; F89-M371 HydrophobicContact CB-SD 3.63Å; F89-M371 HydrophobicContact CD2-SD 4.42Å; F89-K375 HydrophobicContact CD2-CD 4.25Å; F89-K375 HydrophobicContact CD2-CG 4.15Å; F89-K375 HydrophobicContact CE2-CD 4.21Å; F89-K375 HydrophobicContact CE2-CG 4.22Å; F89-L382 HydrophobicContact CB-CD2 4.27Å; F89-L382 HydrophobicContact CD1-CB 4Å; F89-L382 HydrophobicContact CD1-CD1 4.42Å; F89-L382 HydrophobicContact CD1-CD2 3.79Å; F89-L382 HydrophobicContact CD1-CG 4.27Å; F89-L382 HydrophobicContact CD2-CD1 3.94Å; F89-L382 HydrophobicContact CE1-CB 3.61Å; F89-L382 HydrophobicContact CE1-CD2 4.31Å; F89-L382 HydrophobicContact CE1-CG 4.37Å; F89-L382 WeakPolarHBondContact CE1-O 3.2Å; F89-L382 HydrophobicContact CE2-CB 4.22Å; F89-L382 HydrophobicContact CE2-CD1 4.11Å; F89-L382 HydrophobicContact CG-CB 4.49Å; F89-L382 HydrophobicContact CG-CD1 4.12Å; F89-L382 HydrophobicContact CG-CD2 4Å; F89-L382 HydrophobicContact CG-CG 4.43Å; F89-L382 HydrophobicContact CZ-CB 3.75Å; F89-L382 HydrophobicContact CZ-CD1 4.46Å; F89-F386 HydrophobicContact CE1-CB 3.97Å; F89-F386 HydrophobicContact CE1-CD2 4.3Å; F89-F386 HydrophobicContact CZ-CB 4.23Å; F89-F386 HydrophobicContact CZ-CD2 4.25Å; F89-Y500 HydrophobicContact CE2-CD1 4.22Å; F89-Y500 AromaticContact CE2-CD2 3.73Å; F89-Y500 HydrophobicContact CE2-CD2 3.73Å; F89-Y500 HydrophobicContact CE2-CE1 4.21Å; F89-Y500 AromaticContact CE2-CE2 3.78Å; F89-Y500 HydrophobicContact CE2-CE2 3.78Å; F89-Y500 AromaticContact CE2-CG 4Å; F89-Y500 HydrophobicContact CE2-CG 4Å; F89-Y500 AromaticContact CZ-CD1 3.61Å; F89-Y500 HydrophobicContact CZ-CD1 3.61Å; F89-Y500 AromaticContact CZ-CD2 3.81Å; F89-Y500 HydrophobicContact CZ-CD2 3.81Å; F89-Y500 AromaticContact CZ-CE1 3.91Å; F89-Y500 HydrophobicContact CZ-CE1 3.91Å; F89-Y500 HydrophobicContact CZ-CE2 4.15Å; F89-Y500 AromaticContact CZ-CG 3.56Å; F89-Y500 HydrophobicContact CZ-CG 3.56Å
90Y96.4Very high95.1Very high58 Ų5852.7 Ų52.723%0.22728%0.281CS..Hα-helixtrans-58.2-45174.5175.6-108.6000111.6D86 Q87 Y88 I92 I93 A94 Y112 F366 M371D86-Y90 WeakPolarHBondContact O-CB 3.41Å; D86-Y90 PolarHBondContact O-N 3.23Å; Q87-Y90 PolarHBondContact O-N 3.02Å; Y88-Y90 VanDerWaalsContact C-N 3.35Å; Y88-Y90 PolarHBondContact O-N 3.46Å; Y90-I92 PolarHBondContact O-N 3.42Å; Y90-I93 PolarHBondContact O-N 3.49Å; Y90-A94 HydrophobicContact CD2-CB 4.42Å; Y90-A94 HydrophobicContact CE1-CB 4.36Å; Y90-A94 HydrophobicContact CE2-CB 4.05Å; Y90-A94 WeakPolarHBondContact O-CB 3.37Å; Y90-A94 PolarHBondContact O-N 2.92Å; Y90-Y112 HydrophobicContact CD2-CE1 4.05Å; Y90-Y112 AromaticContact CD2-CZ 3.89Å; Y90-Y112 WeakPolarHBondContact CD2-OH 3.35Å; Y90-Y112 HydrophobicContact CE2-CE1 4.02Å; Y90-F366 HydrophobicContact CD1-CD2 4.36Å; Y90-F366 HydrophobicContact CD2-CB 4.44Å; Y90-F366 AromaticContact CD2-CD2 3.8Å; Y90-F366 HydrophobicContact CD2-CD2 3.8Å; Y90-F366 HydrophobicContact CE2-CB 4.43Å; Y90-F366 AromaticContact CG-CD2 3.67Å; Y90-F366 HydrophobicContact CG-CD2 3.67Å; Y90-F366 HydrophobicContact CG-CE2 4.45Å; Y90-M371 VanDerWaalsContact N-CE 3.33Å
91N95.8Very high95Very high100 Ų10057.6 Ų57.654%0.53531%0.309SS..Hα-helixtrans-62.7-42.2-178.7-69.7-22.9000112.6Q87 Y88 F89 N95Q87-N91 PolarHBondContact O-N 3.03Å; Q87-N91 PolarHBondContact O-ND2 3.27Å; Y88-N91 PolarHBondContact O-N 3.29Å; F89-N91 VanDerWaalsContact C-N 3.31Å; F89-N91 PolarHBondContact O-N 3.44Å; N91-N95 WeakPolarHBondContact O-CB 3.49Å; N91-N95 PolarHBondContact O-N 3.17Å
92I96.9Very high95Very high8 Ų858.3 Ų58.34%0.04131%0.313CS..Hα-helixtrans-72.3-30.4178.366.3171.1000112.6Y88 F89 Y90 Y98 R109 H385Y88-I92 HydrophobicContact CD2-CG2 4.47Å; Y88-I92 HydrophobicContact CE1-CD1 4.09Å; Y88-I92 HydrophobicContact CE1-CG2 4.45Å; Y88-I92 HydrophobicContact CE2-CG2 3.92Å; Y88-I92 PolarHBondContact O-N 2.91Å; Y88-I92 VanDerWaalsContact O-N 3.13Å; F89-I92 HydrophobicContact CD1-CD1 4.15Å; F89-I92 WeakPolarHBondContact O-CG1 3.22Å; F89-I92 PolarHBondContact O-N 3.02Å; Y90-I92 PolarHBondContact O-N 3.42Å; I92-Y98 HydrophobicContact CB-CD1 3.69Å; I92-Y98 HydrophobicContact CB-CE1 3.67Å; I92-Y98 HydrophobicContact CB-CG 4.31Å; I92-Y98 HydrophobicContact CG2-CD1 4.03Å; I92-Y98 HydrophobicContact CG2-CD2 4.45Å; I92-Y98 HydrophobicContact CG2-CE1 3.71Å; I92-Y98 HydrophobicContact CG2-CE2 4.17Å; I92-Y98 HydrophobicContact CG2-CG 4.39Å; I92-R109 PolarHBondContact O-NH2 3.3Å; I92-H385 HydrophobicContact CD1-CB 3.72Å
93I96.3Very high95Very high4 Ų460 Ų602%0.02133%0.329CS..Hα-helixtrans-74.7-51.9177.1-72170000110F89 Y90 N95 L105 T108 R109 Y112 M371 V374 L382F89-I93 WeakPolarHBondContact O-CB 3.5Å; F89-I93 WeakPolarHBondContact O-CD1 3.44Å; F89-I93 VanDerWaalsContact O-CG1 3.24Å; F89-I93 WeakPolarHBondContact O-CG1 3.42Å; F89-I93 PolarHBondContact O-N 2.92Å; Y90-I93 PolarHBondContact O-N 3.49Å; I93-N95 VanDerWaalsContact C-N 3.34Å; I93-N95 PolarHBondContact O-N 3.39Å; I93-L105 HydrophobicContact CG1-CD1 4.4Å; I93-T108 HydrophobicContact CD1-CG2 4.17Å; I93-T108 HydrophobicContact CG1-CG2 4.43Å; I93-R109 HydrophobicContact CG2-CG 4.05Å; I93-R109 WeakPolarHBondContact O-CD 2.98Å; I93-R109 VanDerWaalsContact O-CG 3.29Å; I93-R109 WeakPolarHBondContact O-CG 3.44Å; I93-R109 PolarHBondContact O-NE 2.85Å; I93-Y112 HydrophobicContact CG2-CD1 3.74Å; I93-Y112 HydrophobicContact CG2-CG 3.91Å; I93-M371 HydrophobicContact CD1-CE 4.18Å; I93-V374 HydrophobicContact CD1-CG1 3.71Å; I93-L382 HydrophobicContact CD1-CD2 4.19Å
94A92Very high95.2Very high49 Ų4959.1 Ų59.141%0.40532%0.323SS..Hα-helixtrans-67.9-32-176.900000112.8Y90 K96Y90-A94 HydrophobicContact CD2-CB 4.42Å; Y90-A94 HydrophobicContact CE1-CB 4.36Å; Y90-A94 HydrophobicContact CE2-CB 4.05Å; Y90-A94 WeakPolarHBondContact O-CB 3.37Å; Y90-A94 PolarHBondContact O-N 2.92Å; A94-K96 PolarHBondContact O-N 2.93Å; A94-K96 VanDerWaalsContact O-N 3.08Å
95N93.3Very high95.4Very high81 Ų8157.3 Ų57.343%0.43331%0.308SS..  trans-76.294.6174.2-175.8-2.4000110.8N91 I93 S97 Y98 R109N91-N95 WeakPolarHBondContact O-CB 3.49Å; N91-N95 PolarHBondContact O-N 3.17Å; I93-N95 VanDerWaalsContact C-N 3.34Å; I93-N95 PolarHBondContact O-N 3.39Å; N95-S97 PolarHBondContact O-N 3.38Å; N95-S97 VanDerWaalsContact O-N 3.14Å; N95-S97 WeakPolarHBondContact OD1-CB 3.41Å; N95-S97 PolarHBondContact OD1-N 2.96Å; N95-S97 VanDerWaalsContact OD1-N 3.08Å; N95-Y98 WeakPolarHBondContact O-CB 3.13Å; N95-Y98 PolarHBondContact O-N 3.01Å; N95-Y98 PolarHBondContact OD1-N 3.27Å; N95-R109 PolarHBondContact O-NH2 2.92Å
96K89.1Confident95.3Very high124 Ų12459.3 Ų59.354%0.53932%0.322SS..THydrogen-bonded Turntrans-59.2-25.2179-63.3-168.7178.5-1600113.5A94 L100 E113A94-K96 PolarHBondContact O-N 2.93Å; A94-K96 VanDerWaalsContact O-N 3.08Å; K96-L100 WeakPolarHBondContact O-CD2 3.35Å; K96-E113 WeakPolarHBondContact CE-OE1 3.46Å; K96-E113 IonicContact NZ-OE1 2.61Å; K96-E113 PolarHBondContact NZ-OE1 2.9Å; K96-E113 IonicContact NZ-OE2 2.89Å
97S94Very high95.4Very high91 Ų9160 Ų6064%0.63633%0.327SS*.THydrogen-bonded Turntrans-80.3-15.8179.1-52.80000113.7N95N95-S97 PolarHBondContact O-N 3.38Å; N95-S97 VanDerWaalsContact O-N 3.14Å; N95-S97 WeakPolarHBondContact OD1-CB 3.41Å; N95-S97 PolarHBondContact OD1-N 2.96Å; N95-S97 VanDerWaalsContact OD1-N 3.08Å
98Y95.9Very high95.5Very high71 Ų7154.9 Ų54.928%0.27830%0.303SS..THydrogen-bonded Turntrans-72.1129.1177.6179.6-93.3000110I92 N95 L100 L105 R109 H385I92-Y98 HydrophobicContact CB-CD1 3.69Å; I92-Y98 HydrophobicContact CB-CE1 3.67Å; I92-Y98 HydrophobicContact CB-CG 4.31Å; I92-Y98 HydrophobicContact CG2-CD1 4.03Å; I92-Y98 HydrophobicContact CG2-CD2 4.45Å; I92-Y98 HydrophobicContact CG2-CE1 3.71Å; I92-Y98 HydrophobicContact CG2-CE2 4.17Å; I92-Y98 HydrophobicContact CG2-CG 4.39Å; N95-Y98 WeakPolarHBondContact O-CB 3.13Å; N95-Y98 PolarHBondContact O-N 3.01Å; N95-Y98 PolarHBondContact OD1-N 3.27Å; Y98-L100 VanDerWaalsContact C-N 3.32Å; Y98-L100 PolarHBondContact O-N 3.34Å; Y98-L105 HydrophobicContact CD1-CD2 3.65Å; Y98-L105 HydrophobicContact CE1-CD2 3.95Å; Y98-R109 PolarHBondContact O-NH1 3.4Å; Y98-R109 PolarHBondContact O-NH2 3.42Å; Y98-H385 AromaticContact CE1-CE1 3.69Å; Y98-H385 AromaticContact CE1-ND1 3.4Å; Y98-H385 WeakPolarHBondContact CE1-ND1 3.16Å; Y98-H385 AromaticContact CZ-ND1 3.71Å; Y98-H385 PolarHBondContact OH-ND1 3.12Å; Y98-H385 VanDerWaalsContact OH-ND1 3.16Å
99A94.3Very high95.5Very high40 Ų4054 Ų5433%0.33130%0.3SS..THydrogen-bonded Turntrans43.653.717800000113.5D101 D102 L105A99-D101 PolarHBondContact O-N 3.45Å; A99-D102 HydrophobicContact CB-CB 4.12Å; A99-D102 WeakPolarHBondContact O-CB 3.4Å; A99-D102 PolarHBondContact O-N 2.87Å; A99-L105 HydrophobicContact CB-CD2 4.03Å
100L91.1Very high95.4Very high120 Ų12058 Ų5863%0.62832%0.317SS*.THydrogen-bonded Turntrans-54.6-33.5-178-82.9162.9000113.2K96 Y98 D102K96-L100 WeakPolarHBondContact O-CD2 3.35Å; Y98-L100 VanDerWaalsContact C-N 3.32Å; Y98-L100 PolarHBondContact O-N 3.34Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 3.33Å
101D94Very high95.3Very high162 Ų16255.3 Ų55.387%0.86631%0.307SS*.THydrogen-bonded Turntrans-83.70.4-178-55.8-38.6000113.5A99 P103A99-D101 PolarHBondContact O-N 3.45Å; D101-P103 WeakPolarHBondContact O-CD 3.26Å
102D96.7Very high95.3Very high17 Ų1751.1 Ų51.19%0.09128%0.283CS..  trans-89.4103.2178.4-168-41.1000110.9A99 L100 H104 L105 S106 K384 H385A99-D102 HydrophobicContact CB-CB 4.12Å; A99-D102 WeakPolarHBondContact O-CB 3.4Å; A99-D102 PolarHBondContact O-N 2.87Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 3.33Å; D102-H104 VanDerWaalsContact C-N 3.28Å; D102-H104 PolarHBondContact O-N 3Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 VanDerWaalsContact OD1-CB 3.32Å; D102-H104 WeakPolarHBondContact OD1-CB 3.33Å; D102-H104 PolarHBondContact OD1-N 3.13Å; D102-L105 HydrophobicContact CB-CB 3.99Å; D102-L105 PolarHBondContact O-N 3.31Å; D102-L105 PolarHBondContact OD1-N 3.48Å; D102-S106 PolarHBondContact O-N 2.93Å; D102-K384 IonicContact OD2-NZ 3.55Å; D102-K384 PolarHBondContact OD2-NZ 3.23Å; D102-H385 IonicContact OD2-CE1 3.6Å; D102-H385 IonicContact OD2-NE2 3.11Å
103P95.9Very high95.1Very high85 Ų8553.1 Ų53.155%0.55229%0.293SS*.Hα-helixtrans-67.9-27.4-179.629-36.5000112.8D101 S106 T107D101-P103 WeakPolarHBondContact O-CD 3.26Å; P103-S106 PolarHBondContact O-N 3.02Å; P103-T107 WeakPolarHBondContact O-CB 3.47Å; P103-T107 PolarHBondContact O-N 3.31Å; P103-T107 PolarHBondContact O-OG1 2.93Å
104H97.6Very high94.8Very high36 Ų3653 Ų5317%0.16729%0.292CS..Hα-helixtrans-71.3-42178.1-61.4129.7000110.6D102 T107 T108 T381 E451 D452 Y457D102-H104 VanDerWaalsContact C-N 3.28Å; D102-H104 PolarHBondContact O-N 3Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 VanDerWaalsContact OD1-CB 3.32Å; D102-H104 WeakPolarHBondContact OD1-CB 3.33Å; D102-H104 PolarHBondContact OD1-N 3.13Å; H104-T107 PolarHBondContact O-N 3.47Å; H104-T108 WeakPolarHBondContact O-CB 3.31Å; H104-T108 PolarHBondContact O-N 3.2Å; H104-T108 PolarHBondContact O-OG1 2.94Å; H104-T381 HydrophobicContact CB-CG2 4.34Å; H104-E451 HydrophobicContact CB-CG 4.02Å; H104-E451 WeakPolarHBondContact CB-OE1 3.49Å; H104-E451 IonicContact CE1-OE2 3.56Å; H104-E451 VanDerWaalsContact CG-CD 3.41Å; H104-E451 IonicContact CG-OE1 4Å; H104-E451 IonicContact CG-OE2 3.14Å; H104-E451 WeakPolarHBondContact ND1-CG 3.5Å; H104-E451 IonicContact ND1-OE1 2.79Å; H104-E451 IonicContact ND1-OE2 3.97Å; H104-E451 PolarHBondContact ND1-OE2 2.8Å; H104-D452 IonicContact CE1-OD1 2.78Å; H104-Y457 HydrophobicContact CB-CE1 3.83Å; H104-Y457 HydrophobicContact CB-CE2 4.45Å; H104-Y457 AromaticContact CD2-CD1 3.52Å; H104-Y457 AromaticContact CD2-CD2 3.57Å; H104-Y457 AromaticContact CD2-CE1 3.52Å; H104-Y457 AromaticContact CD2-CE2 3.59Å; H104-Y457 AromaticContact CD2-CG 3.55Å; H104-Y457 AromaticContact CD2-CZ 3.56Å; H104-Y457 AromaticContact CG-CZ 3.93Å; H104-Y457 AromaticContact NE2-CD2 3.97Å
105L97.7Very high94.8Very high0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-67.2-40.4172.9-172.963.2000111.6I93 Y98 A99 D102 T107 T108 R109 T381I93-L105 HydrophobicContact CG1-CD1 4.4Å; Y98-L105 HydrophobicContact CD1-CD2 3.65Å; Y98-L105 HydrophobicContact CE1-CD2 3.95Å; A99-L105 HydrophobicContact CB-CD2 4.03Å; D102-L105 HydrophobicContact CB-CB 3.99Å; D102-L105 PolarHBondContact O-N 3.31Å; D102-L105 PolarHBondContact OD1-N 3.48Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 3.4Å; L105-T108 WeakPolarHBondContact O-CB 3.25Å; L105-T108 PolarHBondContact O-N 3.29Å; L105-T108 VanDerWaalsContact O-N 3.14Å; L105-R109 WeakPolarHBondContact O-CG 3.39Å; L105-R109 PolarHBondContact O-N 3.1Å; L105-T381 HydrophobicContact CB-CG2 4.24Å; L105-T381 HydrophobicContact CD1-CG2 4.2Å
106S97Very high94.4Very high45 Ų4547.7 Ų47.732%0.31526%0.257SS..Hα-helixtrans-57.6-42.7173.8-176.20000112.4D102 P103 R109 K110D102-S106 PolarHBondContact O-N 2.93Å; P103-S106 PolarHBondContact O-N 3.02Å; S106-R109 WeakPolarHBondContact O-CB 3.49Å; S106-R109 PolarHBondContact O-N 2.96Å; S106-K110 WeakPolarHBondContact O-CG 3.49Å; S106-K110 PolarHBondContact O-N 3.33Å; S106-K110 VanDerWaalsContact O-N 3.11Å
107T97.7Very high94.1Very high28 Ų2846.3 Ų46.317%0.17225%0.251CS..Hα-helixtrans-64.1-42.9174.2-58.50000111.6P103 H104 L105 R109 K110 F111 F378 Y457 I461P103-T107 WeakPolarHBondContact O-CB 3.47Å; P103-T107 PolarHBondContact O-N 3.31Å; P103-T107 PolarHBondContact O-OG1 2.93Å; H104-T107 PolarHBondContact O-N 3.47Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 3.4Å; T107-R109 VanDerWaalsContact C-N 3.31Å; T107-R109 PolarHBondContact O-N 2.67Å; T107-K110 PolarHBondContact O-N 2.95Å; T107-F111 PolarHBondContact O-N 3.15Å; T107-F111 VanDerWaalsContact O-N 3.08Å; T107-F378 HydrophobicContact CG2-CE1 4.18Å; T107-Y457 HydrophobicContact CG2-CD1 3.96Å; T107-Y457 HydrophobicContact CG2-CE1 3.99Å; T107-I461 HydrophobicContact CG2-CB 3.8Å; T107-I461 HydrophobicContact CG2-CG1 3.83Å; T107-I461 HydrophobicContact CG2-CG2 4.26Å
108T98Very high93Very high0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-59.7-40.5175.7-57.10000111.6I93 H104 L105 F111 Y112 V374 F378I93-T108 HydrophobicContact CD1-CG2 4.17Å; I93-T108 HydrophobicContact CG1-CG2 4.43Å; H104-T108 WeakPolarHBondContact O-CB 3.31Å; H104-T108 PolarHBondContact O-N 3.2Å; H104-T108 PolarHBondContact O-OG1 2.94Å; L105-T108 WeakPolarHBondContact O-CB 3.25Å; L105-T108 PolarHBondContact O-N 3.29Å; L105-T108 VanDerWaalsContact O-N 3.14Å; T108-F111 WeakPolarHBondContact O-CB 3.45Å; T108-F111 PolarHBondContact O-N 3.11Å; T108-Y112 PolarHBondContact O-N 2.81Å; T108-V374 HydrophobicContact CG2-CG1 3.42Å; T108-V374 VanDerWaalsContact CG2-CG1 3.42Å; T108-F378 HydrophobicContact CG2-CB 3.89Å; T108-F378 HydrophobicContact CG2-CD2 3.89Å; T108-F378 HydrophobicContact CG2-CG 3.89Å; T108-F378 WeakPolarHBondContact OG1-CD1 3.35Å; T108-F378 WeakPolarHBondContact OG1-CG 3.05Å
109R96.7Very high91.3Very high15 Ų1539.9 Ų39.96%0.05722%0.216CC..Hα-helixtrans-61.3-49.6174.6-71.1178177.9126.49.1112.3I92 I93 N95 Y98 L105 S106 T107 F111 Y112 E113I92-R109 PolarHBondContact O-NH2 3.3Å; I93-R109 HydrophobicContact CG2-CG 4.05Å; I93-R109 WeakPolarHBondContact O-CD 2.98Å; I93-R109 VanDerWaalsContact O-CG 3.29Å; I93-R109 WeakPolarHBondContact O-CG 3.44Å; I93-R109 PolarHBondContact O-NE 2.85Å; N95-R109 PolarHBondContact O-NH2 2.92Å; Y98-R109 PolarHBondContact O-NH1 3.4Å; Y98-R109 PolarHBondContact O-NH2 3.42Å; L105-R109 WeakPolarHBondContact O-CG 3.39Å; L105-R109 PolarHBondContact O-N 3.1Å; S106-R109 WeakPolarHBondContact O-CB 3.49Å; S106-R109 PolarHBondContact O-N 2.96Å; T107-R109 VanDerWaalsContact C-N 3.31Å; T107-R109 PolarHBondContact O-N 2.67Å; R109-F111 PolarHBondContact O-N 3.27Å; R109-Y112 PolarHBondContact O-N 3.41Å; R109-Y112 VanDerWaalsContact O-N 3.12Å; R109-E113 WeakPolarHBondContact O-CB 3.38Å; R109-E113 WeakPolarHBondContact O-CG 3.4Å; R109-E113 PolarHBondContact O-N 3.15Å
110K96.1Very high89.6Confident85 Ų8541.4 Ų41.437%0.3721%0.214SC..Hα-helixtrans-56.3-42.2177.6-68.9174.6-175.6178.40111.2S106 T107 E113 A114 I461 A463S106-K110 WeakPolarHBondContact O-CG 3.49Å; S106-K110 PolarHBondContact O-N 3.33Å; S106-K110 VanDerWaalsContact O-N 3.11Å; T107-K110 PolarHBondContact O-N 2.95Å; K110-E113 PolarHBondContact O-N 3.45Å; K110-A114 WeakPolarHBondContact O-CB 3.24Å; K110-A114 PolarHBondContact O-N 3.42Å; K110-I461 HydrophobicContact CB-CG2 4.21Å; K110-I461 WeakPolarHBondContact CD-O 3.45Å; K110-A463 HydrophobicContact CB-CB 4.3Å; K110-A463 HydrophobicContact CG-CB 4.36Å; K110-A463 WeakPolarHBondContact O-CA 3.29Å
111F96.3Very high88Confident1 Ų140.5 Ų40.50%0.00421%0.21CC..Hα-helixtrans-61.8-47.2176.3-166.2-78.9000112.3T107 T108 R109 A114 C115 R373 V374 F378 I461 N469 E470 A473T107-F111 PolarHBondContact O-N 3.15Å; T107-F111 VanDerWaalsContact O-N 3.08Å; T108-F111 WeakPolarHBondContact O-CB 3.45Å; T108-F111 PolarHBondContact O-N 3.11Å; R109-F111 PolarHBondContact O-N 3.27Å; F111-A114 PolarHBondContact O-N 3.2Å; F111-C115 WeakPolarHBondContact O-CB 3.46Å; F111-C115 PolarHBondContact O-N 3.03Å; F111-R373 HydrophobicContact CE1-CB 4.26Å; F111-V374 HydrophobicContact CB-CG2 4.41Å; F111-V374 HydrophobicContact CD1-CG2 3.47Å; F111-V374 VanDerWaalsContact CD1-CG2 3.47Å; F111-V374 HydrophobicContact CE1-CG2 4.19Å; F111-V374 HydrophobicContact CG-CG2 4.29Å; F111-F378 HydrophobicContact CB-CE2 3.42Å; F111-F378 VanDerWaalsContact CB-CE2 3.42Å; F111-F378 HydrophobicContact CB-CZ 3.71Å; F111-F378 AromaticContact CD1-CE2 3.89Å; F111-F378 HydrophobicContact CD1-CE2 3.89Å; F111-F378 AromaticContact CD2-CE2 3.67Å; F111-F378 HydrophobicContact CD2-CE2 3.67Å; F111-F378 AromaticContact CD2-CZ 3.78Å; F111-F378 HydrophobicContact CD2-CZ 3.78Å; F111-F378 HydrophobicContact CE2-CE2 4.4Å; F111-F378 AromaticContact CG-CE2 3.38Å; F111-F378 HydrophobicContact CG-CE2 3.38Å; F111-F378 AromaticContact CG-CZ 3.86Å; F111-F378 HydrophobicContact CG-CZ 3.86Å; F111-I461 HydrophobicContact CB-CG2 3.91Å; F111-I461 HydrophobicContact CD2-CD1 4.47Å; F111-I461 HydrophobicContact CD2-CG2 4.1Å; F111-N469 HydrophobicContact CD2-CB 3.87Å; F111-N469 HydrophobicContact CE2-CB 3.77Å; F111-E470 WeakPolarHBondContact CE1-OE1 3.44Å; F111-E470 HydrophobicContact CZ-CG 4.5Å; F111-E470 WeakPolarHBondContact CZ-OE1 3.44Å; F111-A473 HydrophobicContact CE2-CB 4.1Å; F111-A473 HydrophobicContact CZ-CB 4.32Å
112Y94.8Very high86.3Confident11 Ų1134.9 Ų34.94%0.04318%0.179CC..Hα-helixtrans-64.8-43.9178.3-177.1-98.2000111.8Y90 I93 T108 R109 A114 C115 I116 S367 C370 M371Y90-Y112 HydrophobicContact CD2-CE1 4.05Å; Y90-Y112 AromaticContact CD2-CZ 3.89Å; Y90-Y112 WeakPolarHBondContact CD2-OH 3.35Å; Y90-Y112 HydrophobicContact CE2-CE1 4.02Å; I93-Y112 HydrophobicContact CG2-CD1 3.74Å; I93-Y112 HydrophobicContact CG2-CG 3.91Å; T108-Y112 PolarHBondContact O-N 2.81Å; R109-Y112 PolarHBondContact O-N 3.41Å; R109-Y112 VanDerWaalsContact O-N 3.12Å; Y112-A114 PolarHBondContact O-N 3.04Å; Y112-C115 CarbonylContact O-C 3.57Å; Y112-C115 WeakPolarHBondContact O-CB 3.41Å; Y112-C115 PolarHBondContact O-N 3.44Å; Y112-C115 VanDerWaalsContact O-N 3.13Å; Y112-I116 HydrophobicContact CD1-CG1 3.97Å; Y112-I116 HydrophobicContact CE1-CD1 4.03Å; Y112-I116 HydrophobicContact CE1-CG1 3.53Å; Y112-I116 HydrophobicContact CE2-CD1 4.23Å; Y112-I116 HydrophobicContact CE2-CG1 4.29Å; Y112-I116 WeakPolarHBondContact O-CG1 2.93Å; Y112-I116 PolarHBondContact O-N 3.42Å; Y112-S367 PolarHBondContact OH-N 3.27Å; Y112-C370 HydrophobicContact CD2-CB 3.88Å; Y112-C370 HydrophobicContact CE2-CB 3.66Å; Y112-M371 HydrophobicContact CE2-CE 4.18Å
113E92.4Very high85Confident51 Ų5137.5 Ų37.524%0.23819%0.194CC..Hα-helixtrans-58.9-46.1176-73.8-178171.600111.5K96 R109 K110 C115 I116 K117 A463K96-E113 WeakPolarHBondContact CE-OE1 3.46Å; K96-E113 IonicContact NZ-OE1 2.61Å; K96-E113 PolarHBondContact NZ-OE1 2.9Å; K96-E113 IonicContact NZ-OE2 2.89Å; R109-E113 WeakPolarHBondContact O-CB 3.38Å; R109-E113 WeakPolarHBondContact O-CG 3.4Å; R109-E113 PolarHBondContact O-N 3.15Å; K110-E113 PolarHBondContact O-N 3.45Å; E113-C115 VanDerWaalsContact C-N 3.31Å; E113-C115 PolarHBondContact O-N 2.95Å; E113-I116 PolarHBondContact O-N 3.45Å; E113-K117 WeakPolarHBondContact O-CB 3.37Å; E113-K117 WeakPolarHBondContact O-CG 3.33Å; E113-K117 PolarHBondContact O-N 2.89Å; E113-A463 HydrophobicContact CB-CB 4.14Å; E113-A463 WeakPolarHBondContact OE2-CB 3.34Å
114A91.4Very high84.1Confident1 Ų138.2 Ų38.21%0.00819%0.193CC..Hα-helixtrans-61.9-39.6174.600000111.7K110 F111 Y112 G118 N462 A463 H466 N469K110-A114 WeakPolarHBondContact O-CB 3.24Å; K110-A114 PolarHBondContact O-N 3.42Å; F111-A114 PolarHBondContact O-N 3.2Å; Y112-A114 PolarHBondContact O-N 3.04Å; A114-G118 VanDerWaalsContact O-CA 3.24Å; A114-G118 WeakPolarHBondContact O-CA 3.39Å; A114-G118 PolarHBondContact O-N 2.76Å; A114-N462 WeakPolarHBondContact CB-O 3.5Å; A114-A463 VanDerWaalsContact CA-O 3.22Å; A114-A463 WeakPolarHBondContact CA-O 3.47Å; A114-A463 WeakPolarHBondContact CB-O 3.19Å; A114-A463 PolarHBondContact N-O 3.33Å; A114-H466 HydrophobicContact CB-CB 4.41Å; A114-H466 WeakPolarHBondContact O-CB 3.41Å; A114-N469 VanDerWaalsContact CB-ND2 3.31Å; A114-N469 WeakPolarHBondContact CB-ND2 3.08Å
115C90Very high83.4Confident0 Ų041 Ų410%021%0.205CC..Hα-helixtrans-63.3-47.8174.5-173.70000111.6F111 Y112 E113 K117 G118 R349 C370 H466F111-C115 WeakPolarHBondContact O-CB 3.46Å; F111-C115 PolarHBondContact O-N 3.03Å; Y112-C115 CarbonylContact O-C 3.57Å; Y112-C115 WeakPolarHBondContact O-CB 3.41Å; Y112-C115 PolarHBondContact O-N 3.44Å; Y112-C115 VanDerWaalsContact O-N 3.13Å; E113-C115 VanDerWaalsContact C-N 3.31Å; E113-C115 PolarHBondContact O-N 2.95Å; C115-K117 PolarHBondContact O-N 3.1Å; C115-G118 PolarHBondContact O-N 3.28Å; C115-G118 VanDerWaalsContact O-N 3.15Å; C115-R349 PolarHBondContact O-NH1 2.97Å; C115-R349 PolarHBondContact O-NH2 2.89Å; C115-C370 HydrophobicContact CB-CB 3.73Å; C115-C370 WeakPolarHBondContact CB-SG 3.41Å; C115-C370 WeakPolarHBondContact SG-CA 3.39Å; C115-C370 WeakPolarHBondContact SG-CB 3.47Å; C115-C370 CovalentContact SG-SG 2.05Å; C115-C370 PolarHBondContact SG-SG 2.88Å; C115-H466 WeakPolarHBondContact CA-ND1 3.36Å
116I86.8Confident82.7Confident19 Ų1941 Ų4110%0.09721%0.206CC..Hα-helixtrans-61.3-49.3178.4-65.8-65.7000111Y112 E113 G118 Y120 R349 S363 C370Y112-I116 HydrophobicContact CD1-CG1 3.97Å; Y112-I116 HydrophobicContact CE1-CD1 4.03Å; Y112-I116 HydrophobicContact CE1-CG1 3.53Å; Y112-I116 HydrophobicContact CE2-CD1 4.23Å; Y112-I116 HydrophobicContact CE2-CG1 4.29Å; Y112-I116 WeakPolarHBondContact O-CG1 2.93Å; Y112-I116 PolarHBondContact O-N 3.42Å; E113-I116 PolarHBondContact O-N 3.45Å; I116-G118 PolarHBondContact O-N 3.28Å; I116-Y120 PolarHBondContact O-OH 2.96Å; I116-R349 PolarHBondContact O-NH2 3.25Å; I116-S363 WeakPolarHBondContact CG2-O 3.29Å; I116-C370 HydrophobicContact CD1-CB 4.08Å
117K82Confident82.2Confident95 Ų9541 Ų4141%0.41320%0.199SC..Hα-helixtrans-64.8-21.9176.8-72.2175.3175.1-179.40114.2E113 C115 E464E113-K117 WeakPolarHBondContact O-CB 3.37Å; E113-K117 WeakPolarHBondContact O-CG 3.33Å; E113-K117 PolarHBondContact O-N 2.89Å; C115-K117 PolarHBondContact O-N 3.1Å; K117-E464 IonicContact NZ-OE1 2.64Å; K117-E464 PolarHBondContact NZ-OE1 2.81Å; K117-E464 IonicContact NZ-OE2 3.28Å; K117-E464 PolarHBondContact NZ-OE2 2.89Å
118G70.1Confident81.7Confident5 Ų543.1 Ų43.15%0.05221%0.209CC..SBendtrans-56.3164.9-165.500000112.7A114 C115 I116 Y120 R349A114-G118 VanDerWaalsContact O-CA 3.24Å; A114-G118 WeakPolarHBondContact O-CA 3.39Å; A114-G118 PolarHBondContact O-N 2.76Å; C115-G118 PolarHBondContact O-N 3.28Å; C115-G118 VanDerWaalsContact O-N 3.15Å; I116-G118 PolarHBondContact O-N 3.28Å; G118-Y120 PolarHBondContact O-N 3.08Å; G118-R349 PolarHBondContact O-NH1 3.43Å; G118-R349 PolarHBondContact O-NH2 3.2Å
119P61.8Low81.2Confident21 Ų2143.4 Ų43.414%0.13621%0.211CC..  trans-65.8121-152.829.2-35.7000111.7D121 V126 L346P119-D121 WeakPolarHBondContact CB-O 3.46Å; P119-V126 HydrophobicContact CB-CB 4.45Å; P119-V126 HydrophobicContact CB-CG2 2.97Å; P119-V126 HydrophobicContact CG-CG2 3.33Å; P119-L346 HydrophobicContact CG-CD2 4.13Å
120Y58.6Low80.9Confident72 Ų7242.8 Ų42.828%0.28221%0.208SC..SBendtrans-77.1-17.6173-54.9-56.8000112.2I116 G118 P360I116-Y120 PolarHBondContact O-OH 2.96Å; G118-Y120 PolarHBondContact O-N 3.08Å; Y120-P360 HydrophobicContact CD1-CB 2.97Å; Y120-P360 HydrophobicContact CD1-CG 4.13Å; Y120-P360 HydrophobicContact CE1-CB 3.16Å; Y120-P360 WeakPolarHBondContact CE1-O 3.05Å; Y120-P360 HydrophobicContact CG-CB 3.8Å; Y120-P360 PolarHBondContact OH-O 2.9Å
121D56.3Low80.7Confident102 Ų10240.2 Ų40.255%0.54520%0.196SC..SBendtrans-142.8149.9177.6-64.3-56000108.6P119 N123P119-D121 WeakPolarHBondContact CB-O 3.46Å; D121-N123 PolarHBondContact O-N 2.95Å
122L59.1Low80.4Confident43 Ų4344.5 Ų44.523%0.22522%0.216CC..  trans-6464.1164.6-70.8171.1000110.8V126 L223 Y226L122-V126 HydrophobicContact CD2-CG1 4.05Å; L122-L223 HydrophobicContact CD1-CD1 3.91Å; L122-Y226 HydrophobicContact CD1-CD1 3.77Å; L122-Y226 HydrophobicContact CD1-CE1 3.74Å
123N68.6Low80.3Confident73 Ų7344 Ų4439%0.3922%0.215SC..  trans-81.9179.3-179.569.711.4000111.3D121 H125 V126 R127D121-N123 PolarHBondContact O-N 2.95Å; N123-H125 PolarHBondContact O-N 3.29Å; N123-H125 WeakPolarHBondContact OD1-CA 3.43Å; N123-H125 VanDerWaalsContact OD1-CB 3.31Å; N123-H125 WeakPolarHBondContact OD1-CB 3.22Å; N123-H125 PolarHBondContact OD1-N 3.3Å; N123-V126 PolarHBondContact O-N 2.93Å; N123-V126 PolarHBondContact OD1-N 3.31Å; N123-R127 PolarHBondContact O-N 3.5Å
124D77.9Confident80.3Confident99 Ų9941.7 Ų41.753%0.52920%0.203SC..Hα-helixtrans-58-33.6179.3-59.3-24.8000112.2R127 D128D124-R127 WeakPolarHBondContact O-CB 3.14Å; D124-R127 PolarHBondContact O-N 3.09Å; D124-R127 IonicContact OD1-CZ 2.59Å; D124-R127 VanDerWaalsContact OD1-CZ 3.28Å; D124-R127 IonicContact OD1-NH1 3.51Å; D124-R127 PolarHBondContact OD1-NH1 3.48Å; D124-R127 IonicContact OD1-NH2 3.48Å; D124-R127 PolarHBondContact OD1-NH2 3.45Å; D124-R127 VanDerWaalsContact OD1-NH2 3.14Å; D124-D128 WeakPolarHBondContact O-CB 3.37Å; D124-D128 PolarHBondContact O-N 3.25Å
125H81.4Confident80.3Confident94 Ų9443.7 Ų43.744%0.43522%0.217SC..Hα-helixtrans-65.7-45.1178.6-17268.6000113.1N123 R127 D128 Q129 E464N123-H125 PolarHBondContact O-N 3.29Å; N123-H125 WeakPolarHBondContact OD1-CA 3.43Å; N123-H125 VanDerWaalsContact OD1-CB 3.31Å; N123-H125 WeakPolarHBondContact OD1-CB 3.22Å; N123-H125 PolarHBondContact OD1-N 3.3Å; H125-R127 VanDerWaalsContact C-N 3.3Å; H125-R127 PolarHBondContact O-N 2.79Å; H125-D128 PolarHBondContact O-N 2.59Å; H125-Q129 PolarHBondContact NE2-NE2 2.76Å; H125-Q129 WeakPolarHBondContact O-CG 3.45Å; H125-Q129 PolarHBondContact O-N 3.03Å; H125-E464 PolarHBondContact NE2-O 3.23Å
126V83.3Confident80.3Confident1 Ų147.8 Ų47.81%0.00624%0.238CC..Hα-helixtrans-61.3-44.6174.6-177.20000110.7P119 L122 N123 D128 Q129 L130 L346 V467P119-V126 HydrophobicContact CB-CB 4.45Å; P119-V126 HydrophobicContact CB-CG2 2.97Å; P119-V126 HydrophobicContact CG-CG2 3.33Å; L122-V126 HydrophobicContact CD2-CG1 4.05Å; N123-V126 PolarHBondContact O-N 2.93Å; N123-V126 PolarHBondContact OD1-N 3.31Å; V126-D128 VanDerWaalsContact C-N 3.29Å; V126-D128 PolarHBondContact O-N 3.27Å; V126-Q129 PolarHBondContact O-N 2.84Å; V126-L130 HydrophobicContact CG1-CD1 4.02Å; V126-L130 HydrophobicContact CG1-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CG 3.08Å; V126-L130 PolarHBondContact O-N 3.36Å; V126-L346 HydrophobicContact CG1-CD1 3.81Å; V126-V467 HydrophobicContact CG1-CG2 4.11Å
127R86.8Confident80.5Confident45 Ų4547.4 Ų47.417%0.1724%0.238CC..Hα-helixtrans-59.4-44.6179.4-173-176.4-47.2124.812.9110.7N123 D124 H125 Q129 L130 R131 S227N123-R127 PolarHBondContact O-N 3.5Å; D124-R127 WeakPolarHBondContact O-CB 3.14Å; D124-R127 PolarHBondContact O-N 3.09Å; D124-R127 IonicContact OD1-CZ 2.59Å; D124-R127 VanDerWaalsContact OD1-CZ 3.28Å; D124-R127 IonicContact OD1-NH1 3.51Å; D124-R127 PolarHBondContact OD1-NH1 3.48Å; D124-R127 IonicContact OD1-NH2 3.48Å; D124-R127 PolarHBondContact OD1-NH2 3.45Å; D124-R127 VanDerWaalsContact OD1-NH2 3.14Å; H125-R127 VanDerWaalsContact C-N 3.3Å; H125-R127 PolarHBondContact O-N 2.79Å; R127-Q129 VanDerWaalsContact C-N 3.35Å; R127-Q129 PolarHBondContact O-N 3.26Å; R127-L130 PolarHBondContact O-N 2.73Å; R127-R131 HydrophobicContact CG-CG 4.47Å; R127-R131 WeakPolarHBondContact O-CB 3.5Å; R127-R131 VanDerWaalsContact O-CG 3.24Å; R127-R131 WeakPolarHBondContact O-CG 3.4Å; R127-R131 PolarHBondContact O-N 2.88Å; R127-S227 WeakPolarHBondContact CG-O 3.26Å
128D87.5Confident80.9Confident73 Ų7343 Ų4339%0.3922%0.218SC..Hα-helixtrans-63.3-41.5178.1-70.1-17.7000111.4D124 H125 V126 R131 Q132D124-D128 WeakPolarHBondContact O-CB 3.37Å; D124-D128 PolarHBondContact O-N 3.25Å; H125-D128 PolarHBondContact O-N 2.59Å; V126-D128 VanDerWaalsContact C-N 3.29Å; V126-D128 PolarHBondContact O-N 3.27Å; D128-R131 PolarHBondContact O-N 3.39Å; D128-Q132 WeakPolarHBondContact O-CB 3.16Å; D128-Q132 PolarHBondContact O-N 3.43Å
129Q88.4Confident81.6Confident6 Ų643.1 Ų43.13%0.02822%0.219CC..Hα-helixtrans-65.7-39.9174.8-69.5-177.8-30.400112.8H125 V126 R127 Q132 L133 E464 D465 V467H125-Q129 PolarHBondContact NE2-NE2 2.76Å; H125-Q129 WeakPolarHBondContact O-CG 3.45Å; H125-Q129 PolarHBondContact O-N 3.03Å; V126-Q129 PolarHBondContact O-N 2.84Å; R127-Q129 VanDerWaalsContact C-N 3.35Å; R127-Q129 PolarHBondContact O-N 3.26Å; Q129-Q132 PolarHBondContact O-N 2.84Å; Q129-L133 WeakPolarHBondContact O-CG 3.47Å; Q129-L133 PolarHBondContact O-N 2.9Å; Q129-E464 PolarHBondContact NE2-O 2.75Å; Q129-D465 PolarHBondContact NE2-OD1 3.18Å; Q129-D465 VanDerWaalsContact NE2-OD1 3.12Å; Q129-V467 HydrophobicContact CB-CB 3.91Å; Q129-V467 HydrophobicContact CB-CG1 4.27Å; Q129-V467 HydrophobicContact CB-CG2 4.19Å; Q129-V467 VanDerWaalsContact OE1-CG2 3.26Å
130L90.5Very high82.5Confident2 Ų247.3 Ų47.31%0.0124%0.237CC..Hα-helixtrans-64.8-43.5174.1-71.3174.7000111.3V126 R127 Q132 L133 I134 L228 V339 Q342 V467V126-L130 HydrophobicContact CG1-CD1 4.02Å; V126-L130 HydrophobicContact CG1-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CG 3.08Å; V126-L130 PolarHBondContact O-N 3.36Å; R127-L130 PolarHBondContact O-N 2.73Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.32Å; L130-L133 WeakPolarHBondContact O-CB 3.26Å; L130-L133 PolarHBondContact O-N 3.01Å; L130-I134 WeakPolarHBondContact O-CG1 3.13Å; L130-I134 PolarHBondContact O-N 2.91Å; L130-L228 HydrophobicContact CB-CD2 3.79Å; L130-L228 HydrophobicContact CD1-CD2 4.44Å; L130-V339 HydrophobicContact CD1-CG1 4.29Å; L130-V339 HydrophobicContact CD2-CG1 4.3Å; L130-Q342 HydrophobicContact CD2-CB 3.9Å; L130-Q342 HydrophobicContact CD2-CG 4.42Å; L130-V467 HydrophobicContact CD2-CG1 3.88Å; L130-V467 HydrophobicContact CG-CG1 4.43Å
131R90.9Very high83.8Confident30 Ų3044.3 Ų44.311%0.11323%0.225CC..Hα-helixtrans-62.5-40.4175.3-72.1176.8175.9-151.8-4.5111.5R127 D128 I134 S135 L144 L228R127-R131 HydrophobicContact CG-CG 4.47Å; R127-R131 WeakPolarHBondContact O-CB 3.5Å; R127-R131 VanDerWaalsContact O-CG 3.24Å; R127-R131 WeakPolarHBondContact O-CG 3.4Å; R127-R131 PolarHBondContact O-N 2.88Å; D128-R131 PolarHBondContact O-N 3.39Å; R131-I134 PolarHBondContact O-N 3.26Å; R131-S135 WeakPolarHBondContact O-CB 3.29Å; R131-S135 PolarHBondContact O-N 3.16Å; R131-L144 HydrophobicContact CB-CD1 4.4Å; R131-L144 HydrophobicContact CG-CD1 3.93Å; R131-L144 HydrophobicContact CG-CD2 4.11Å; R131-L228 HydrophobicContact CG-CD2 4.31Å; R131-L228 PolarHBondContact NH2-O 3.31Å
132Q90.4Very high85Confident91 Ų9144.6 Ų44.643%0.42523%0.227SC..Hα-helixtrans-61-45.1173.2-175.3-176.111.300111.3D128 Q129 L130 I134 S135 M136D128-Q132 WeakPolarHBondContact O-CB 3.16Å; D128-Q132 PolarHBondContact O-N 3.43Å; Q129-Q132 PolarHBondContact O-N 2.84Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.32Å; Q132-I134 PolarHBondContact O-N 3.17Å; Q132-S135 WeakPolarHBondContact O-CB 3.37Å; Q132-S135 PolarHBondContact O-N 3.38Å; Q132-M136 HydrophobicContact CG-SD 4.1Å; Q132-M136 VanDerWaalsContact O-CG 3.29Å; Q132-M136 WeakPolarHBondContact O-CG 3.39Å; Q132-M136 PolarHBondContact O-N 3.34Å
133L92Very high86.2Confident2 Ų242.8 Ų42.81%0.0122%0.217CC..Hα-helixtrans-61.7-42.8176.4-77.7-179.3000112.4Q129 L130 S135 M136 A137 F338 Q342 V467 L468 Y471Q129-L133 WeakPolarHBondContact O-CG 3.47Å; Q129-L133 PolarHBondContact O-N 2.9Å; L130-L133 WeakPolarHBondContact O-CB 3.26Å; L130-L133 PolarHBondContact O-N 3.01Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-M136 PolarHBondContact O-N 2.8Å; L133-A137 VanDerWaalsContact O-CB 3.24Å; L133-A137 WeakPolarHBondContact O-CB 3.46Å; L133-A137 PolarHBondContact O-N 3.11Å; L133-F338 HydrophobicContact CB-CE1 4.02Å; L133-F338 HydrophobicContact CB-CZ 4.45Å; L133-Q342 HydrophobicContact CD1-CG 4.09Å; L133-V467 HydrophobicContact CD1-CG1 3.69Å; L133-L468 HydrophobicContact CD2-CD1 3.43Å; L133-L468 VanDerWaalsContact CD2-CD1 3.43Å; L133-L468 HydrophobicContact CG-CD1 4.38Å; L133-Y471 HydrophobicContact CD1-CG 4.36Å; L133-Y471 HydrophobicContact CD2-CD1 3.53Å; L133-Y471 HydrophobicContact CD2-CD2 4.21Å; L133-Y471 HydrophobicContact CD2-CE1 4.02Å; L133-Y471 HydrophobicContact CD2-CG 3.61Å
134I92.9Very high86.8Confident1 Ų140.7 Ų40.71%0.00521%0.206CC..Hα-helixtrans-59.5-48174.4-66.2166.2000109.7L130 R131 Q132 M136 A137 F138 G139 W141 L144 L228 V335 V339L130-I134 WeakPolarHBondContact O-CG1 3.13Å; L130-I134 PolarHBondContact O-N 2.91Å; R131-I134 PolarHBondContact O-N 3.26Å; Q132-I134 PolarHBondContact O-N 3.17Å; I134-M136 VanDerWaalsContact C-N 3.33Å; I134-M136 PolarHBondContact O-N 3.45Å; I134-A137 PolarHBondContact O-N 2.87Å; I134-F138 HydrophobicContact CG2-CB 4.48Å; I134-F138 WeakPolarHBondContact O-CA 3.49Å; I134-F138 PolarHBondContact O-N 3.1Å; I134-G139 PolarHBondContact O-N 3.14Å; I134-W141 HydrophobicContact CD1-CE3 4.03Å; I134-W141 HydrophobicContact CD1-CZ3 4.23Å; I134-W141 HydrophobicContact CG2-CB 4Å; I134-W141 HydrophobicContact CG2-CE3 4.36Å; I134-L144 HydrophobicContact CD1-CD1 4.22Å; I134-L144 HydrophobicContact CG2-CD1 4.44Å; I134-L228 HydrophobicContact CD1-CD1 3.84Å; I134-L228 HydrophobicContact CD1-CD2 3.61Å; I134-L228 HydrophobicContact CD1-CG 4.39Å; I134-V335 HydrophobicContact CD1-CG1 4Å; I134-V335 HydrophobicContact CG1-CG1 4.01Å; I134-V335 HydrophobicContact CG2-CG1 3.97Å; I134-V339 HydrophobicContact CD1-CG2 3.71Å; I134-V339 HydrophobicContact CG1-CG2 3.88Å
135S91.3Very high86.3Confident43 Ų4339 Ų3930%0.30120%0.199SC..Hα-helixtrans-57.7-44.3177.7-171.50000112.5R131 Q132 L133 A137 G139R131-S135 WeakPolarHBondContact O-CB 3.29Å; R131-S135 PolarHBondContact O-N 3.16Å; Q132-S135 WeakPolarHBondContact O-CB 3.37Å; Q132-S135 PolarHBondContact O-N 3.38Å; L133-S135 VanDerWaalsContact C-N 3.34Å; S135-A137 PolarHBondContact O-N 3.11Å; S135-G139 WeakPolarHBondContact CA-O 3.37Å; S135-G139 VanDerWaalsContact O-CA 3.25Å; S135-G139 WeakPolarHBondContact O-CA 3.38Å; S135-G139 PolarHBondContact O-N 2.56Å
136M90.3Very high84.9Confident87 Ų8740 Ų4043%0.42922%0.217SC..Hα-helixtrans-66.2-36.6177.8-70.9172.563.800113.3Q132 L133 I134 L468Q132-M136 HydrophobicContact CG-SD 4.1Å; Q132-M136 VanDerWaalsContact O-CG 3.29Å; Q132-M136 WeakPolarHBondContact O-CG 3.39Å; Q132-M136 PolarHBondContact O-N 3.34Å; L133-M136 PolarHBondContact O-N 2.8Å; I134-M136 VanDerWaalsContact C-N 3.33Å; I134-M136 PolarHBondContact O-N 3.45Å; M136-L468 HydrophobicContact CE-CD1 4.43Å; M136-L468 HydrophobicContact SD-CD1 4.34Å
137A91.1Very high83.3Confident11 Ų1145.2 Ų45.29%0.09124%0.244CC..Hα-helixtrans-85.9-47.2-174.700000112.8L133 I134 S135 R159 P172 F338L133-A137 VanDerWaalsContact O-CB 3.24Å; L133-A137 WeakPolarHBondContact O-CB 3.46Å; L133-A137 PolarHBondContact O-N 3.11Å; I134-A137 PolarHBondContact O-N 2.87Å; S135-A137 PolarHBondContact O-N 3.11Å; A137-R159 PolarHBondContact O-NH1 3.45Å; A137-P172 HydrophobicContact CB-CB 3.85Å; A137-P172 HydrophobicContact CB-CG 4.17Å; A137-P172 WeakPolarHBondContact O-CG 3.4Å; A137-F338 HydrophobicContact CB-CE1 4.29Å; A137-F338 HydrophobicContact CB-CE2 4.38Å; A137-F338 HydrophobicContact CB-CZ 4.05Å
138F90.2Very high81Confident2 Ų247.6 Ų47.61%0.00927%0.268CS..Hα-helixtrans-116.1-16-167.1-64.2-85.4000113.7I134 I169 P172 Y331 A334 V335 F338I134-F138 HydrophobicContact CG2-CB 4.48Å; I134-F138 WeakPolarHBondContact O-CA 3.49Å; I134-F138 PolarHBondContact O-N 3.1Å; F138-I169 WeakPolarHBondContact CE1-O 3.21Å; F138-P172 HydrophobicContact CD1-CG 4.09Å; F138-P172 HydrophobicContact CE1-CB 4.15Å; F138-P172 HydrophobicContact CE1-CG 3.77Å; F138-P172 HydrophobicContact CE2-CB 3.92Å; F138-P172 HydrophobicContact CE2-CG 4.22Å; F138-P172 HydrophobicContact CG-CG 4.47Å; F138-P172 HydrophobicContact CZ-CB 3.68Å; F138-P172 HydrophobicContact CZ-CG 3.84Å; F138-Y331 HydrophobicContact CB-CE2 4.39Å; F138-Y331 WeakPolarHBondContact CB-OH 3.47Å; F138-Y331 HydrophobicContact CD1-CE2 4.1Å; F138-Y331 PolarHBondContact O-OH 3.08Å; F138-A334 HydrophobicContact CE1-CB 4.37Å; F138-V335 HydrophobicContact CB-CG2 4.29Å; F138-V335 HydrophobicContact CD1-CG2 3.84Å; F138-V335 HydrophobicContact CD2-CG2 4.02Å; F138-V335 HydrophobicContact CE1-CG2 4.1Å; F138-V335 HydrophobicContact CE2-CG2 4.28Å; F138-V335 HydrophobicContact CG-CG2 3.8Å; F138-V335 HydrophobicContact CZ-CG2 4.32Å; F138-F338 HydrophobicContact CE2-CB 3.65Å; F138-F338 AromaticContact CE2-CD1 3.78Å; F138-F338 HydrophobicContact CE2-CD1 3.78Å; F138-F338 HydrophobicContact CE2-CD2 4.1Å; F138-F338 HydrophobicContact CE2-CE1 4.45Å; F138-F338 AromaticContact CE2-CG 3.58Å; F138-F338 HydrophobicContact CE2-CG 3.58Å; F138-F338 HydrophobicContact CZ-CB 3.84Å; F138-F338 HydrophobicContact CZ-CG 4.15Å
139G85.1Confident78.9Confident7 Ų750.4 Ų50.47%0.07229%0.288CS..  trans87.9-157.6-171.100000111.9I134 S135I134-G139 PolarHBondContact O-N 3.14Å; S135-G139 WeakPolarHBondContact CA-O 3.37Å; S135-G139 VanDerWaalsContact O-CA 3.25Å; S135-G139 WeakPolarHBondContact O-CA 3.38Å; S135-G139 PolarHBondContact O-N 2.56Å
140E80.1Confident76.4Confident110 Ų11057.3 Ų57.351%0.51433%0.325SS..  trans-62140.6171.3-62.8-172.2169.900110.6A158 Y331E140-A158 HydrophobicContact CB-CB 4.41Å; E140-A158 VanDerWaalsContact OE2-CB 3.27Å; E140-A158 WeakPolarHBondContact OE2-CB 3.38Å; E140-Y331 PolarHBondContact O-OH 3.16Å
141W86.6Confident74Confident8 Ų863.2 Ų63.23%0.0336%0.361CS..  trans-124.5119.4179.3-178.427.8000109.9I134 L143 L144 L228 I230 Y331 N332 V335 L336I134-W141 HydrophobicContact CD1-CE3 4.03Å; I134-W141 HydrophobicContact CD1-CZ3 4.23Å; I134-W141 HydrophobicContact CG2-CB 4Å; I134-W141 HydrophobicContact CG2-CE3 4.36Å; W141-L143 HydrophobicContact CD2-CB 4.19Å; W141-L143 HydrophobicContact CH2-CB 4.22Å; W141-L143 HydrophobicContact CH2-CD1 4.16Å; W141-L143 HydrophobicContact CZ2-CB 3.93Å; W141-L143 HydrophobicContact CZ2-CD1 3.52Å; W141-L143 HydrophobicContact CZ2-CG 3.9Å; W141-L143 HydrophobicContact CZ3-CB 4.46Å; W141-L143 PolarHBondContact O-N 2.79Å; W141-L143 VanDerWaalsContact O-N 3.08Å; W141-L144 HydrophobicContact CB-CD1 4.35Å; W141-L144 HydrophobicContact CD2-CG 4.42Å; W141-L144 HydrophobicContact CE3-CD1 3.85Å; W141-L144 HydrophobicContact CE3-CD2 4.16Å; W141-L144 HydrophobicContact CE3-CG 3.59Å; W141-L144 HydrophobicContact CZ3-CD2 4.29Å; W141-L144 HydrophobicContact CZ3-CG 4.2Å; W141-L144 WeakPolarHBondContact O-CB 3.32Å; W141-L144 PolarHBondContact O-N 3.26Å; W141-L228 HydrophobicContact CH2-CD1 4.17Å; W141-L228 HydrophobicContact CZ3-CD1 3.58Å; W141-I230 HydrophobicContact CH2-CD1 3.53Å; W141-I230 HydrophobicContact CZ3-CD1 3.86Å; W141-Y331 AromaticContact CD1-CE1 3.46Å; W141-Y331 VanDerWaalsContact CD1-CE1 3.46Å; W141-Y331 HydrophobicContact CG-CE1 4.21Å; W141-Y331 AromaticContact NE1-CE1 3.9Å; W141-N332 HydrophobicContact CZ2-CB 4.41Å; W141-N332 PolarHBondContact NE1-OD1 3.07Å; W141-V335 HydrophobicContact CD2-CB 4.41Å; W141-V335 HydrophobicContact CD2-CG1 3.78Å; W141-V335 HydrophobicContact CE3-CG1 3.71Å; W141-V335 HydrophobicContact CG-CG1 4.48Å; W141-V335 HydrophobicContact CH2-CG1 3.99Å; W141-V335 HydrophobicContact CZ2-CB 4.18Å; W141-V335 HydrophobicContact CZ2-CG1 3.99Å; W141-V335 HydrophobicContact CZ3-CG1 3.89Å; W141-L336 HydrophobicContact CH2-CD2 3.88Å; W141-L336 HydrophobicContact CH2-CG 4.3Å
142D81.6Confident71.4Confident108 Ų10868 Ų6858%0.57839%0.393SS*.THydrogen-bonded Turntrans-56-29.2-171.6-61.9-16.3000114.7L144 I161D142-L144 VanDerWaalsContact C-N 3.25Å; D142-L144 PolarHBondContact O-N 3.08Å; D142-I161 WeakPolarHBondContact OD2-CD1 3.25Å
143L83.4Confident69Low5 Ų569.1 Ų69.13%0.02641%0.411CS..THydrogen-bonded Turntrans-76.2-11.3178.8-54.5-166.9000113.5W141 I230 Q234 E237 L238 N332W141-L143 HydrophobicContact CD2-CB 4.19Å; W141-L143 HydrophobicContact CH2-CB 4.22Å; W141-L143 HydrophobicContact CH2-CD1 4.16Å; W141-L143 HydrophobicContact CZ2-CB 3.93Å; W141-L143 HydrophobicContact CZ2-CD1 3.52Å; W141-L143 HydrophobicContact CZ2-CG 3.9Å; W141-L143 HydrophobicContact CZ3-CB 4.46Å; W141-L143 PolarHBondContact O-N 2.79Å; W141-L143 VanDerWaalsContact O-N 3.08Å; L143-I230 HydrophobicContact CB-CG2 4.28Å; L143-Q234 HydrophobicContact CD2-CB 4.21Å; L143-Q234 HydrophobicContact CD2-CG 4.43Å; L143-Q234 VanDerWaalsContact CD2-OE1 3.23Å; L143-E237 HydrophobicContact CD2-CB 3.82Å; L143-E237 HydrophobicContact CD2-CG 4.25Å; L143-L238 HydrophobicContact CD1-CD2 3.69Å; L143-L238 HydrophobicContact CD1-CG 4.18Å; L143-N332 HydrophobicContact CD1-CB 4.46Å
144L81.7Confident66.5Low30 Ų3078 Ų7816%0.15745%0.453CS..SBendtrans-92.4114.4170.7-63.4173.9000108.4R131 I134 W141 D142 S146 L228R131-L144 HydrophobicContact CB-CD1 4.4Å; R131-L144 HydrophobicContact CG-CD1 3.93Å; R131-L144 HydrophobicContact CG-CD2 4.11Å; I134-L144 HydrophobicContact CD1-CD1 4.22Å; I134-L144 HydrophobicContact CG2-CD1 4.44Å; W141-L144 HydrophobicContact CB-CD1 4.35Å; W141-L144 HydrophobicContact CD2-CG 4.42Å; W141-L144 HydrophobicContact CE3-CD1 3.85Å; W141-L144 HydrophobicContact CE3-CD2 4.16Å; W141-L144 HydrophobicContact CE3-CG 3.59Å; W141-L144 HydrophobicContact CZ3-CD2 4.29Å; W141-L144 HydrophobicContact CZ3-CG 4.2Å; W141-L144 WeakPolarHBondContact O-CB 3.32Å; W141-L144 PolarHBondContact O-N 3.26Å; D142-L144 VanDerWaalsContact C-N 3.25Å; D142-L144 PolarHBondContact O-N 3.08Å; L144-S146 PolarHBondContact O-N 2.72Å; L144-S146 VanDerWaalsContact O-N 3.16Å; L144-L228 HydrophobicContact CD2-CB 4.29Å
145T65.9Low64.1Low63 Ų6383.4 Ų83.439%0.38749%0.49SS..PPolyproline II helixtrans-56.7124.2166.639.10000109L147 E231T145-L147 PolarHBondContact O-N 3.24Å; T145-L147 VanDerWaalsContact O-N 3.11Å; T145-E231 HydrophobicContact CG2-CG 4.47Å; T145-E231 WeakPolarHBondContact CG2-OE1 3.44Å; T145-E231 PolarHBondContact OG1-OE1 3Å; T145-E231 VanDerWaalsContact OG1-OE1 3.07Å
146S53.5Low61.8Low116 Ų11685.3 Ų85.381%0.81150%0.498SS*.PPolyproline II helixtrans-51.1119.2-171.762.30000110.3L144 S148L144-S146 PolarHBondContact O-N 2.72Å; L144-S146 VanDerWaalsContact O-N 3.16Å; S146-S148 PolarHBondContact O-N 3.43Å
147L48.3Very low59.7Low109 Ų10985.4 Ų85.457%0.57151%0.512SS*.PPolyproline II helixtrans-56.4123.4166.6-79.4161000107.7T145 T149T145-L147 PolarHBondContact O-N 3.24Å; T145-L147 VanDerWaalsContact O-N 3.11Å; L147-T149 PolarHBondContact O-N 2.87Å; L147-T149 VanDerWaalsContact O-N 3.12Å
148S39.8Very low57.6Low95 Ų9587.8 Ų87.866%0.66453%0.531SS*.  trans-48.4114.6-179.656.90000113.1S146 N150S146-S148 PolarHBondContact O-N 3.43Å; S148-N150 PolarHBondContact O-N 2.9Å
149T43.1Very low56Low132 Ų13293.4 Ų93.481%0.8155%0.553SS**SBendtrans53.56.1142.755.40000123.1L147L147-T149 PolarHBondContact O-N 2.87Å; L147-T149 VanDerWaalsContact O-N 3.12Å
150N36.6Very low55.2Low151 Ų15197.2 Ų97.281%0.80757%0.571SS**  trans-114.411.8-178.3-79-2.8000117.1S148 T152S148-N150 PolarHBondContact O-N 2.9Å; N150-T152 PolarHBondContact O-N 2.74Å
151V39.2Very low54.7Low126 Ų12692.5 Ų92.576%0.76455%0.55SS*.SBendtrans-84.5110.9166.5-176.40000108.1S153V151-S153 PolarHBondContact O-N 3.14Å; V151-S153 VanDerWaalsContact O-N 3.1Å
152T36.3Very low53.9Low130 Ų13095.7 Ų95.780%0.79857%0.567SS**  trans-48.9116.4175.346.20000110.2N150 E154N150-T152 PolarHBondContact O-N 2.74Å; T152-E154 PolarHBondContact O-N 3.16Å
153S39.3Very low53.9Low115 Ų11596.7 Ų96.780%0.80457%0.572SS**SBendtrans-65.890.2-179.655.70000110.8V151V151-S153 PolarHBondContact O-N 3.14Å; V151-S153 VanDerWaalsContact O-N 3.1Å
154E40.2Very low53.9Low190 Ų19097.3 Ų97.389%0.88858%0.575SS**SBendtrans-1537162.5-117.9169.8-146.600117.6T152T152-E154 PolarHBondContact O-N 3.16Å
155S43.4Very low54.4Low113 Ų11397.9 Ų97.979%0.7958%0.582SS**SBendtrans-158-5.3170.355.90000120.7
156N42.8Very low55.7Low84 Ų8495 Ų9545%0.44956%0.564SS.*  trans-107.972.4178.3-70.1-13.4000110.9A158N156-A158 PolarHBondContact O-N 3.22Å
157A45.1Very low57.8Low89 Ų8989.5 Ų89.574%0.73653%0.526SS*.  trans-56.6128.6161.400000107.8R159A157-R159 PolarHBondContact O-N 3Å
158A47.9Very low59.9Low60 Ų6086.4 Ų86.450%0.49651%0.51SS..  trans-42.3113.2172.400000108.8E140 N156 N160E140-A158 HydrophobicContact CB-CB 4.41Å; E140-A158 VanDerWaalsContact OE2-CB 3.27Å; E140-A158 WeakPolarHBondContact OE2-CB 3.38Å; N156-A158 PolarHBondContact O-N 3.22Å; A158-N160 PolarHBondContact O-N 3.1Å
159R57Low62.5Low121 Ų12182 Ų8246%0.45748%0.479SS..  trans-66.4115.1175.9-76.5-171.3-173.1156.14.6105.7A137 A157 I161 L164A137-R159 PolarHBondContact O-NH1 3.45Å; A157-R159 PolarHBondContact O-N 3Å; R159-I161 PolarHBondContact O-N 3.16Å; R159-L164 HydrophobicContact CB-CD2 4.38Å
160N67.9Low65Low87 Ų8775.8 Ų75.847%0.46544%0.44SS..  trans-60.3106.2173-175.8-6.1000108A158 L162 N163A158-N160 PolarHBondContact O-N 3.1Å; N160-L162 PolarHBondContact O-N 3.5Å; N160-L162 VanDerWaalsContact O-N 3.09Å; N160-L162 WeakPolarHBondContact OD1-CB 3.41Å; N160-L162 PolarHBondContact OD1-N 3.3Å; N160-L162 VanDerWaalsContact OD1-N 3.17Å; N160-N163 HydrophobicContact CB-CB 4.47Å; N160-N163 PolarHBondContact O-N 3.39Å
161I69.1Low67.7Low11 Ų1169.7 Ų69.76%0.05641%0.408CS..G310 helixtrans-52.8-34.9-177.1-64.4174.3000110.1D142 R159 N163 L164 K327 Y331D142-I161 WeakPolarHBondContact OD2-CD1 3.25Å; R159-I161 PolarHBondContact O-N 3.16Å; I161-N163 PolarHBondContact O-N 2.86Å; I161-L164 WeakPolarHBondContact O-CB 3.49Å; I161-L164 PolarHBondContact O-N 2.87Å; I161-L164 VanDerWaalsContact O-N 3.09Å; I161-K327 VanDerWaalsContact O-CE 3.31Å; I161-K327 WeakPolarHBondContact O-CE 3.49Å; I161-Y331 HydrophobicContact CD1-CD1 3.85Å; I161-Y331 HydrophobicContact CD1-CE1 3.73Å; I161-Y331 HydrophobicContact CD1-CG 4.47Å; I161-Y331 HydrophobicContact CG1-CD1 4.32Å; I161-Y331 HydrophobicContact CG1-CE1 4.13Å; I161-Y331 HydrophobicContact CG1-CE2 4.4Å; I161-Y331 HydrophobicContact CG2-CD1 4.28Å; I161-Y331 HydrophobicContact CG2-CD2 4.17Å; I161-Y331 HydrophobicContact CG2-CG 3.88Å
162L69.8Low70.4Confident74 Ų7464.1 Ų64.139%0.38737%0.374SS..G310 helixtrans-65.4-19.6179.9-54.7-177.7000113.5N160 D324 K327N160-L162 PolarHBondContact O-N 3.5Å; N160-L162 VanDerWaalsContact O-N 3.09Å; N160-L162 WeakPolarHBondContact OD1-CB 3.41Å; N160-L162 PolarHBondContact OD1-N 3.3Å; N160-L162 VanDerWaalsContact OD1-N 3.17Å; L162-D324 HydrophobicContact CD2-CB 3.78Å; L162-D324 WeakPolarHBondContact CD2-OD1 3.2Å; L162-K327 PolarHBondContact O-NZ 3.21Å
163N81Confident73.1Confident129 Ų12957.9 Ų57.969%0.6934%0.336SS*.G310 helixtrans-95.3-5.3176.5-70.7-12.1000113.6N160 I161N160-N163 HydrophobicContact CB-CB 4.47Å; N160-N163 PolarHBondContact O-N 3.39Å; I161-N163 PolarHBondContact O-N 2.86Å
164L85.2Confident75.8Confident18 Ų1852.4 Ų52.49%0.09430%0.298CS..  trans-72.9134.1-178.6-62.7177.8000111.2R159 I161 D168 I169 K327 Y331R159-L164 HydrophobicContact CB-CD2 4.38Å; I161-L164 WeakPolarHBondContact O-CB 3.49Å; I161-L164 PolarHBondContact O-N 2.87Å; I161-L164 VanDerWaalsContact O-N 3.09Å; L164-D168 HydrophobicContact CB-CB 4.21Å; L164-D168 HydrophobicContact CD2-CB 3.93Å; L164-I169 HydrophobicContact CB-CG1 4.28Å; L164-K327 WeakPolarHBondContact O-CE 3.35Å; L164-K327 PolarHBondContact O-NZ 3.44Å; L164-Y331 HydrophobicContact CD1-CD2 3.65Å; L164-Y331 HydrophobicContact CD1-CE2 3.4Å; L164-Y331 VanDerWaalsContact CD1-CE2 3.4Å
165S91.3Very high78.4Confident43 Ų4343.7 Ų43.730%0.30126%0.258SS..  trans-76.5163.6167.7710000110.6T167 D168 I169S165-T167 PolarHBondContact O-N 2.91Å; S165-T167 WeakPolarHBondContact OG-CB 3.4Å; S165-T167 PolarHBondContact OG-N 3.3Å; S165-D168 WeakPolarHBondContact CB-OD2 3.36Å; S165-D168 PolarHBondContact N-OD2 2.76Å; S165-D168 PolarHBondContact O-N 3.49Å; S165-D168 VanDerWaalsContact OG-CG 3.26Å; S165-D168 PolarHBondContact OG-N 3.45Å; S165-D168 VanDerWaalsContact OG-N 3.15Å; S165-D168 PolarHBondContact OG-OD2 2.9Å; S165-I169 WeakPolarHBondContact O-CG1 3.44Å; S165-I169 PolarHBondContact O-N 3.16Å; S165-I169 VanDerWaalsContact O-N 3.16Å
166L94.1Very high80.8Confident1 Ų138.3 Ų38.31%0.00522%0.22CC..Hα-helixtrans-58.6-32172.1-17361.5000111.7I169 Y170 L182 P278 I279 H317 L321 L330L166-I169 PolarHBondContact O-N 2.9Å; L166-Y170 HydrophobicContact CD1-CD2 4.04Å; L166-Y170 HydrophobicContact CD1-CE2 3.61Å; L166-Y170 HydrophobicContact CG-CD2 4.11Å; L166-Y170 HydrophobicContact CG-CE2 4.03Å; L166-Y170 PolarHBondContact O-N 2.85Å; L166-L182 HydrophobicContact CD2-CD2 4.11Å; L166-P278 HydrophobicContact CB-CB 4.14Å; L166-P278 HydrophobicContact CD2-CB 3.93Å; L166-P278 HydrophobicContact CD2-CG 3.78Å; L166-I279 HydrophobicContact CB-CD1 4.06Å; L166-I279 HydrophobicContact CD2-CD1 3.73Å; L166-I279 HydrophobicContact CD2-CG1 4.29Å; L166-I279 HydrophobicContact CG-CD1 3.66Å; L166-H317 HydrophobicContact CD2-CB 3.98Å; L166-L321 HydrophobicContact CB-CD1 3.99Å; L166-L321 HydrophobicContact CD1-CD2 4.44Å; L166-L330 HydrophobicContact CD1-CD2 3.57Å
167T95.8Very high83.1Confident2 Ų235.2 Ų35.21%0.01220%0.204CC..Hα-helixtrans-59.9-48.2173.2-36.80000111.6S165 I169 Y170 I171 D280 Y283 L284S165-T167 PolarHBondContact O-N 2.91Å; S165-T167 WeakPolarHBondContact OG-CB 3.4Å; S165-T167 PolarHBondContact OG-N 3.3Å; T167-I169 VanDerWaalsContact C-N 3.28Å; T167-I169 PolarHBondContact O-N 3.4Å; T167-Y170 PolarHBondContact O-N 3.27Å; T167-Y170 VanDerWaalsContact O-N 3.17Å; T167-I171 HydrophobicContact CG2-CD1 3.92Å; T167-I171 HydrophobicContact CG2-CG1 4.24Å; T167-I171 VanDerWaalsContact O-CG1 3.25Å; T167-I171 WeakPolarHBondContact O-CG1 3.37Å; T167-I171 PolarHBondContact O-N 3.02Å; T167-D280 HydrophobicContact CG2-CB 4.29Å; T167-D280 PolarHBondContact OG1-N 3.14Å; T167-Y283 HydrophobicContact CG2-CD1 3.88Å; T167-L284 HydrophobicContact CG2-CB 3.9Å; T167-L284 HydrophobicContact CG2-CD1 4.48Å
168D93.2Very high85.5Confident44 Ų4431 Ų3124%0.23517%0.169CC..Hα-helixtrans-63.1-37.4-179.7-61.1-56.9000111.8L164 S165 Y170 P172 Y283L164-D168 HydrophobicContact CB-CB 4.21Å; L164-D168 HydrophobicContact CD2-CB 3.93Å; S165-D168 WeakPolarHBondContact CB-OD2 3.36Å; S165-D168 PolarHBondContact N-OD2 2.76Å; S165-D168 PolarHBondContact O-N 3.49Å; S165-D168 VanDerWaalsContact OG-CG 3.26Å; S165-D168 PolarHBondContact OG-N 3.45Å; S165-D168 VanDerWaalsContact OG-N 3.15Å; S165-D168 PolarHBondContact OG-OD2 2.9Å; D168-Y170 VanDerWaalsContact C-N 3.33Å; D168-Y170 PolarHBondContact O-N 3.35Å; D168-P172 WeakPolarHBondContact O-CD 3.3Å; D168-Y283 WeakPolarHBondContact OD1-CE1 3.12Å
169I93.7Very high87.6Confident1 Ų130.7 Ų30.71%0.00516%0.157CC..Hα-helixtrans-62.5-38.8176.4-63.6174.8000111.1F138 L164 S165 L166 T167 L330 Y331 A334F138-I169 WeakPolarHBondContact CE1-O 3.21Å; L164-I169 HydrophobicContact CB-CG1 4.28Å; S165-I169 WeakPolarHBondContact O-CG1 3.44Å; S165-I169 PolarHBondContact O-N 3.16Å; S165-I169 VanDerWaalsContact O-N 3.16Å; L166-I169 PolarHBondContact O-N 2.9Å; T167-I169 VanDerWaalsContact C-N 3.28Å; T167-I169 PolarHBondContact O-N 3.4Å; I169-L330 HydrophobicContact CD1-CD2 4.43Å; I169-Y331 HydrophobicContact CG1-CD2 4.27Å; I169-A334 HydrophobicContact CG2-CB 3.33Å
170Y95.2Very high89.3Confident2 Ų224.9 Ų24.91%0.00814%0.135CC..Hα-helixtrans-99.5-14.2-173.1-70.1-23.3000116.3L166 T167 D168 L173 I174 P181 L182 H317 A334L166-Y170 HydrophobicContact CD1-CD2 4.04Å; L166-Y170 HydrophobicContact CD1-CE2 3.61Å; L166-Y170 HydrophobicContact CG-CD2 4.11Å; L166-Y170 HydrophobicContact CG-CE2 4.03Å; L166-Y170 PolarHBondContact O-N 2.85Å; T167-Y170 PolarHBondContact O-N 3.27Å; T167-Y170 VanDerWaalsContact O-N 3.17Å; D168-Y170 VanDerWaalsContact C-N 3.33Å; D168-Y170 PolarHBondContact O-N 3.35Å; Y170-L173 HydrophobicContact CD1-CD1 4.29Å; Y170-L173 PolarHBondContact O-N 2.95Å; Y170-I174 WeakPolarHBondContact O-CG1 3.33Å; Y170-I174 PolarHBondContact O-N 3.25Å; Y170-P181 HydrophobicContact CE1-CG 4.22Å; Y170-L182 HydrophobicContact CD2-CB 4.35Å; Y170-L182 HydrophobicContact CE2-CB 3.66Å; Y170-L182 HydrophobicContact CE2-CD2 4.28Å; Y170-H317 AromaticContact CZ-CD2 3.96Å; Y170-H317 PolarHBondContact OH-CD2 2.8Å; Y170-H317 PolarHBondContact OH-NE2 2.92Å; Y170-A334 HydrophobicContact CD1-CB 4.21Å; Y170-A334 HydrophobicContact CE1-CB 4.08Å
171I95.4Very high90.3Very high23 Ų2320.8 Ų20.812%0.11811%0.114CC..Hα-helixtrans-52.1-45.4177.5-84.3162.8000113T167 L173 I174 S175 Y283 L284 K287T167-I171 HydrophobicContact CG2-CD1 3.92Å; T167-I171 HydrophobicContact CG2-CG1 4.24Å; T167-I171 VanDerWaalsContact O-CG1 3.25Å; T167-I171 WeakPolarHBondContact O-CG1 3.37Å; T167-I171 PolarHBondContact O-N 3.02Å; I171-L173 VanDerWaalsContact C-N 3.3Å; I171-L173 PolarHBondContact O-N 2.94Å; I171-I174 PolarHBondContact O-N 2.97Å; I171-S175 WeakPolarHBondContact O-CB 3.31Å; I171-S175 PolarHBondContact O-N 3.46Å; I171-S175 PolarHBondContact O-OG 3.49Å; I171-Y283 HydrophobicContact CD1-CD1 3.73Å; I171-Y283 HydrophobicContact CD1-CE1 3.21Å; I171-L284 HydrophobicContact CG1-CD1 3.84Å; I171-K287 HydrophobicContact CD1-CG 4.18Å
172P94.2Very high91.3Very high9 Ų920.3 Ų20.36%0.05811%0.111CC..Hα-helixtrans-60.8-38.1-178.6-27.837.4000113.7A137 F138 D168 T176 F338A137-P172 HydrophobicContact CB-CB 3.85Å; A137-P172 HydrophobicContact CB-CG 4.17Å; A137-P172 WeakPolarHBondContact O-CG 3.4Å; F138-P172 HydrophobicContact CD1-CG 4.09Å; F138-P172 HydrophobicContact CE1-CB 4.15Å; F138-P172 HydrophobicContact CE1-CG 3.77Å; F138-P172 HydrophobicContact CE2-CB 3.92Å; F138-P172 HydrophobicContact CE2-CG 4.22Å; F138-P172 HydrophobicContact CG-CG 4.47Å; F138-P172 HydrophobicContact CZ-CB 3.68Å; F138-P172 HydrophobicContact CZ-CG 3.84Å; D168-P172 WeakPolarHBondContact O-CD 3.3Å; P172-T176 VanDerWaalsContact O-CB 3.26Å; P172-T176 WeakPolarHBondContact O-CB 3.29Å; P172-T176 PolarHBondContact O-N 3.3Å; P172-T176 PolarHBondContact O-OG1 3.47Å; P172-F338 HydrophobicContact CB-CD2 4.29Å; P172-F338 HydrophobicContact CB-CE2 4.42Å
173L94.2Very high92.4Very high0 Ų016.8 Ų16.80%09%0.093CC..Hα-helixtrans-70.7-55.5176.6-77.8166.4000111.2Y170 I171 S175 T176 T177 A334 N337 F338Y170-L173 HydrophobicContact CD1-CD1 4.29Å; Y170-L173 PolarHBondContact O-N 2.95Å; I171-L173 VanDerWaalsContact C-N 3.3Å; I171-L173 PolarHBondContact O-N 2.94Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.39Å; L173-T176 PolarHBondContact O-N 3.4Å; L173-T177 PolarHBondContact O-N 2.97Å; L173-T177 PolarHBondContact O-OG1 3.35Å; L173-T177 VanDerWaalsContact O-OG1 3.11Å; L173-A334 HydrophobicContact CD1-CB 4.31Å; L173-N337 HydrophobicContact CD1-CB 4.2Å; L173-N337 HydrophobicContact CD2-CB 4.29Å; L173-F338 HydrophobicContact CD2-CB 3.88Å; L173-F338 HydrophobicContact CD2-CD2 4.43Å; L173-F338 HydrophobicContact CG-CB 4.24Å
174I95.7Very high93.1Very high0 Ų011.1 Ų11.10%06%0.063CC..Hα-helixtrans-62.3-40.7-176.7-63.1-70.7000111.2Y170 I171 T176 G178 F183 L185 L284 V288 Y478Y170-I174 WeakPolarHBondContact O-CG1 3.33Å; Y170-I174 PolarHBondContact O-N 3.25Å; I171-I174 PolarHBondContact O-N 2.97Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.37Å; I174-G178 WeakPolarHBondContact O-CA 3.38Å; I174-G178 PolarHBondContact O-N 3.31Å; I174-F183 HydrophobicContact CD1-CD2 4.19Å; I174-F183 HydrophobicContact CD1-CE1 4.45Å; I174-F183 HydrophobicContact CD1-CE2 3.77Å; I174-F183 HydrophobicContact CD1-CZ 3.91Å; I174-F183 HydrophobicContact CG1-CE2 4.38Å; I174-F183 HydrophobicContact CG1-CZ 4.12Å; I174-L185 HydrophobicContact CG2-CB 4.04Å; I174-L185 HydrophobicContact CG2-CD2 3.88Å; I174-L284 HydrophobicContact CB-CD1 4.32Å; I174-L284 HydrophobicContact CG2-CD1 4.07Å; I174-V288 HydrophobicContact CG2-CG2 3.8Å; I174-Y478 WeakPolarHBondContact O-CE1 3.32Å
175S94.3Very high93.6Very high7 Ų710.2 Ų10.25%0.0496%0.058CC..Hα-helixtrans-75.7-18.9-178.1680000114.2I171 L173I171-S175 WeakPolarHBondContact O-CB 3.31Å; I171-S175 PolarHBondContact O-N 3.46Å; I171-S175 PolarHBondContact O-OG 3.49Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.39Å
176T93.8Very high93.7Very high0 Ų08.6 Ų8.60%05%0.046CC..Hα-helixtrans-94.8-45.8179-55.60000111.8P172 L173 I174 Y471 Q474 K475 Y478P172-T176 VanDerWaalsContact O-CB 3.26Å; P172-T176 WeakPolarHBondContact O-CB 3.29Å; P172-T176 PolarHBondContact O-N 3.3Å; P172-T176 PolarHBondContact O-OG1 3.47Å; L173-T176 PolarHBondContact O-N 3.4Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.37Å; T176-Y471 HydrophobicContact CG2-CD2 3.84Å; T176-Y471 HydrophobicContact CG2-CE2 3.72Å; T176-Y471 WeakPolarHBondContact OG1-CE2 3.45Å; T176-Q474 HydrophobicContact CG2-CB 4.07Å; T176-Q474 CarbonylContact O-C 3.59Å; T176-K475 HydrophobicContact CG2-CB 4.41Å; T176-Y478 WeakPolarHBondContact O-CB 3.43Å
177T92.4Very high93.6Very high18 Ų188.5 Ų8.511%0.115%0.046CC..Hα-helixtrans-112.5-26.1-17373.80000112.8L173 H179 E341 Y478L173-T177 PolarHBondContact O-N 2.97Å; L173-T177 PolarHBondContact O-OG1 3.35Å; L173-T177 VanDerWaalsContact O-OG1 3.11Å; T177-H179 PolarHBondContact O-CE1 2.97Å; T177-H179 PolarHBondContact O-ND1 3.11Å; T177-H179 PolarHBondContact OG1-N 3.12Å; T177-H179 PolarHBondContact OG1-O 2.83Å; T177-E341 HydrophobicContact CG2-CB 4.41Å; T177-E341 HydrophobicContact CG2-CG 4.16Å; T177-Y478 WeakPolarHBondContact O-CD2 3.22Å
178G94.5Very high93.3Very high0 Ų09.4 Ų9.40%05%0.051CC..SBendtrans90.46.9-170.700000115.3I174 S184 L185 Y478I174-G178 WeakPolarHBondContact O-CA 3.38Å; I174-G178 PolarHBondContact O-N 3.31Å; G178-S184 CarbonylContact O-C 3.6Å; G178-S184 VanDerWaalsContact O-CA 3.32Å; G178-S184 WeakPolarHBondContact O-CA 3.02Å; G178-L185 PolarHBondContact O-N 3.38Å; G178-Y478 VanDerWaalsContact CA-OH 3.28Å; G178-Y478 WeakPolarHBondContact CA-OH 3.4Å
179H92.8Very high92.7Very high54 Ų5412 Ų1225%0.256%0.057CC..BIsolated β-bridgetrans-142.5143.9-174.3-30.875.9000110.3T177 S184 Q200T177-H179 PolarHBondContact O-CE1 2.97Å; T177-H179 PolarHBondContact O-ND1 3.11Å; T177-H179 PolarHBondContact OG1-N 3.12Å; T177-H179 PolarHBondContact OG1-O 2.83Å; H179-S184 VanDerWaalsContact CD2-CB 3.46Å; H179-S184 WeakPolarHBondContact CD2-CB 3.16Å; H179-S184 PolarHBondContact CD2-OG 2.89Å; H179-Q200 HydrophobicContact CB-CG 3.8Å
180S92.2Very high92.1Very high0 Ų019.6 Ų19.60%09%0.093CC..  trans-127.3175.4170.676.80000109.6L182 F183 G199 Q200S180-L182 PolarHBondContact O-N 3.46Å; S180-L182 PolarHBondContact OG-N 3.08Å; S180-F183 PolarHBondContact N-O 3.48Å; S180-F183 PolarHBondContact OG-N 3.47Å; S180-F183 PolarHBondContact OG-O 2.71Å; S180-G199 WeakPolarHBondContact O-CA 3.45Å; S180-Q200 PolarHBondContact O-N 3.01Å
181P88.1Confident91.6Very high1 Ų123.1 Ų23.11%0.00611%0.112CC..SBendtrans-54.2-33.6169.8-3138.5000114Y170 L201Y170-P181 HydrophobicContact CE1-CG 4.22Å; P181-L201 HydrophobicContact CB-CD1 3.81Å; P181-L201 HydrophobicContact CB-CG 4.35Å
182L91Very high91.1Very high0 Ų026.7 Ų26.70%012%0.123CC..SBendtrans-83.6-47.6-176.9175.659.4000113L166 Y170 S180 I279 F310 R313 C314L166-L182 HydrophobicContact CD2-CD2 4.11Å; Y170-L182 HydrophobicContact CD2-CB 4.35Å; Y170-L182 HydrophobicContact CE2-CB 3.66Å; Y170-L182 HydrophobicContact CE2-CD2 4.28Å; S180-L182 PolarHBondContact O-N 3.46Å; S180-L182 PolarHBondContact OG-N 3.08Å; L182-I279 HydrophobicContact CD2-CD1 4.44Å; L182-I279 HydrophobicContact CD2-CG1 4.39Å; L182-F310 HydrophobicContact CD1-CE2 4.26Å; L182-F310 HydrophobicContact CG-CE2 4.15Å; L182-R313 HydrophobicContact CD1-CB 3.86Å; L182-C314 HydrophobicContact CD1-CB 4.25Å
183F92.8Very high91Very high1 Ų126.2 Ų26.20%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-154.7167.5-173.469.5-81.8000113.1I174 S180 L185 I196 S197 I279 W281 L284 F310I174-F183 HydrophobicContact CD1-CD2 4.19Å; I174-F183 HydrophobicContact CD1-CE1 4.45Å; I174-F183 HydrophobicContact CD1-CE2 3.77Å; I174-F183 HydrophobicContact CD1-CZ 3.91Å; I174-F183 HydrophobicContact CG1-CE2 4.38Å; I174-F183 HydrophobicContact CG1-CZ 4.12Å; S180-F183 PolarHBondContact N-O 3.48Å; S180-F183 PolarHBondContact OG-N 3.47Å; S180-F183 PolarHBondContact OG-O 2.71Å; F183-L185 HydrophobicContact CE2-CB 4.26Å; F183-I196 HydrophobicContact CB-CG2 4.11Å; F183-I196 HydrophobicContact CD2-CD1 4.47Å; F183-I196 HydrophobicContact CD2-CG2 4.06Å; F183-I196 HydrophobicContact CG-CG2 4.33Å; F183-S197 CarbonylContact C-O 3.52Å; F183-S197 WeakPolarHBondContact CA-O 3.33Å; F183-I279 HydrophobicContact CE1-CD1 4.23Å; F183-I279 HydrophobicContact CE1-CG1 4.43Å; F183-W281 HydrophobicContact CD2-CH2 4.31Å; F183-W281 HydrophobicContact CE1-CH2 4.38Å; F183-W281 HydrophobicContact CE2-CH2 4.06Å; F183-W281 AromaticContact CE2-CZ3 3.93Å; F183-W281 HydrophobicContact CE2-CZ3 3.93Å; F183-W281 HydrophobicContact CZ-CH2 4.11Å; F183-W281 HydrophobicContact CZ-CZ3 4.1Å; F183-L284 HydrophobicContact CE2-CD2 3.95Å; F183-L284 HydrophobicContact CZ-CD2 3.5Å; F183-F310 HydrophobicContact CB-CD2 4.31Å; F183-F310 HydrophobicContact CB-CE2 3.67Å; F183-F310 HydrophobicContact CB-CZ 4.36Å; F183-F310 HydrophobicContact CD1-CE2 4.31Å; F183-F310 HydrophobicContact CG-CE2 4.18Å; F183-F310 HydrophobicContact CG-CZ 4.47Å
184S94.5Very high91.1Very high9 Ų926.3 Ų26.36%0.06312%0.121CC..EExtended strand (participates in β ladder)trans-117.7139.3171.7-52.30000110.3G178 H179 I196 S197 S198G178-S184 CarbonylContact O-C 3.6Å; G178-S184 VanDerWaalsContact O-CA 3.32Å; G178-S184 WeakPolarHBondContact O-CA 3.02Å; H179-S184 VanDerWaalsContact CD2-CB 3.46Å; H179-S184 WeakPolarHBondContact CD2-CB 3.16Å; H179-S184 PolarHBondContact CD2-OG 2.89Å; S184-I196 WeakPolarHBondContact O-CA 3.45Å; S184-S197 WeakPolarHBondContact CB-OG 3.48Å; S184-S197 PolarHBondContact N-O 3.03Å; S184-S197 PolarHBondContact O-N 2.93Å; S184-S198 WeakPolarHBondContact CB-O 3.48Å; S184-S198 PolarHBondContact OG-O 3.24Å
185L96Very high91.1Very high0 Ų029.6 Ų29.60%013%0.133CC..EExtended strand (participates in β ladder)trans-112.8119.5177.6-18063.8000109.4I174 G178 F183 I194 I196 F285 V288 F289 Y478I174-L185 HydrophobicContact CG2-CB 4.04Å; I174-L185 HydrophobicContact CG2-CD2 3.88Å; G178-L185 PolarHBondContact O-N 3.38Å; F183-L185 HydrophobicContact CE2-CB 4.26Å; L185-I194 HydrophobicContact CD1-CG2 3.55Å; L185-I196 HydrophobicContact CD1-CD1 3.43Å; L185-I196 VanDerWaalsContact CD1-CD1 3.43Å; L185-F285 HydrophobicContact CD1-CD1 4.49Å; L185-F285 HydrophobicContact CD1-CE1 3.86Å; L185-F285 HydrophobicContact CD2-CD1 4.36Å; L185-F285 HydrophobicContact CD2-CE1 4.42Å; L185-V288 HydrophobicContact CD2-CB 4.04Å; L185-V288 HydrophobicContact CD2-CG1 3.8Å; L185-V288 HydrophobicContact CD2-CG2 3.9Å; L185-F289 HydrophobicContact CD1-CZ 4.45Å; L185-Y478 PolarHBondContact O-OH 3.07Å
186D94.1Very high91.1Very high8 Ų829.3 Ų29.34%0.04313%0.131CC..EExtended strand (participates in β ladder)trans-145-178.6174.8-151.3-23.5000110.1R195 K481 R485D186-R195 PolarHBondContact N-O 3.46Å; D186-R195 PolarHBondContact O-N 3.37Å; D186-K481 WeakPolarHBondContact OD1-CE 3.37Å; D186-K481 IonicContact OD1-NZ 3.4Å; D186-K481 WeakPolarHBondContact OD2-CE 3.33Å; D186-K481 IonicContact OD2-NZ 2.75Å; D186-K481 PolarHBondContact OD2-NZ 3.19Å; D186-R485 IonicContact OD1-CZ 3.78Å; D186-R485 IonicContact OD1-NE 3.66Å; D186-R485 IonicContact OD1-NH1 2.78Å; D186-R485 PolarHBondContact OD1-NH1 2.75Å; D186-R485 IonicContact OD2-CZ 3.52Å; D186-R485 IonicContact OD2-NH1 3.69Å; D186-R485 PolarHBondContact OD2-NH1 3.2Å; D186-R485 IonicContact OD2-NH2 2.81Å
187I92.3Very high91Very high0 Ų030 Ų300%014%0.136CC..EExtended strand (participates in β ladder)trans-109.4125.7170.6-61.4-74.7000108.2R189 A193 I194 F289 L300 L482 R485 I486I187-R189 PolarHBondContact O-N 2.83Å; I187-A193 CarbonylContact C-O 3.35Å; I187-A193 WeakPolarHBondContact CA-O 3.32Å; I187-I194 HydrophobicContact CD1-CG1 4.06Å; I187-F289 HydrophobicContact CD1-CE1 3.79Å; I187-F289 HydrophobicContact CD1-CZ 4.06Å; I187-F289 HydrophobicContact CG1-CE1 4.3Å; I187-L300 HydrophobicContact CD1-CD1 4.02Å; I187-L482 HydrophobicContact CG1-CD2 3.92Å; I187-R485 HydrophobicContact CB-CB 3.71Å; I187-R485 HydrophobicContact CG2-CB 3.64Å; I187-R485 WeakPolarHBondContact O-CD 3.38Å; I187-R485 PolarHBondContact O-NH1 2.72Å; I187-R485 VanDerWaalsContact O-NH1 3.15Å; I187-I486 HydrophobicContact CD1-CD1 4.13Å; I187-I486 HydrophobicContact CD1-CG1 3.77Å; I187-I486 HydrophobicContact CG1-CD1 4.2Å; I187-I486 HydrophobicContact CG1-CG1 3.75Å; I187-I486 HydrophobicContact CG2-CG1 4.24Å
188D88.8Confident90.6Very high21 Ų2130 Ų3011%0.11214%0.137CC..EExtended strand (participates in β ladder)trans-68.7112.9163.9178.5-23.7000107.9E190 N191 R192 A193 R195D188-E190 PolarHBondContact OD1-N 2.72Å; D188-N191 PolarHBondContact OD1-N 2.65Å; D188-N191 VanDerWaalsContact OD1-N 3.09Å; D188-N191 PolarHBondContact OD1-ND2 2.95Å; D188-N191 PolarHBondContact OD2-ND2 3.29Å; D188-R192 WeakPolarHBondContact O-CA 3.42Å; D188-R192 PolarHBondContact O-N 3.21Å; D188-A193 HydrophobicContact CB-CB 4.2Å; D188-A193 PolarHBondContact N-O 2.97Å; D188-A193 PolarHBondContact O-N 2.75Å; D188-R195 HydrophobicContact CB-CB 4.29Å
189R81.7Confident90Very high98 Ų9830.2 Ų30.237%0.3714%0.139SC..THydrogen-bonded Turntrans-68.3-33.8-176.2-177.6-176.6170.9-179.12.6113I187 R485 G490 T492I187-R189 PolarHBondContact O-N 2.83Å; R189-R485 HydrophobicContact CB-CG 4.37Å; R189-G490 PolarHBondContact NE-O 2.94Å; R189-G490 PolarHBondContact NH2-O 3.16Å; R189-G490 VanDerWaalsContact NH2-O 3.15Å; R189-T492 VanDerWaalsContact NH2-CB 3.32Å; R189-T492 VanDerWaalsContact NH2-CG2 3.26Å; R189-T492 PolarHBondContact NH2-OG1 3.22Å
190E80.1Confident88.9Confident161 Ų16130.3 Ų30.375%0.75214%0.14SC*.THydrogen-bonded Turntrans-74-43.2-176.2-63.3-172.6161.100110.5D188D188-E190 PolarHBondContact OD1-N 2.72Å
191N84.2Confident87.3Confident76 Ų7630.6 Ų30.641%0.40614%0.141SC..THydrogen-bonded Turntrans-96-5.9-176.1-62.4-75.6000113.8D188 A193 K303D188-N191 PolarHBondContact OD1-N 2.65Å; D188-N191 VanDerWaalsContact OD1-N 3.09Å; D188-N191 PolarHBondContact OD1-ND2 2.95Å; D188-N191 PolarHBondContact OD2-ND2 3.29Å; N191-A193 HydrophobicContact CB-CB 4.09Å; N191-A193 PolarHBondContact O-N 3.4Å; N191-K303 PolarHBondContact ND2-NZ 2.96Å; N191-K303 PolarHBondContact OD1-NZ 2.6Å
192R86.1Confident85.7Confident97 Ų9732 Ų3237%0.36615%0.15SC..THydrogen-bonded Turntrans47.244.9-168.7-54.9179.3100.5170.62.6111.3D188 L300 I486 K487 A489D188-R192 WeakPolarHBondContact O-CA 3.42Å; D188-R192 PolarHBondContact O-N 3.21Å; R192-L300 WeakPolarHBondContact O-CD2 3.34Å; R192-I486 VanDerWaalsContact CZ-O 3.26Å; R192-I486 PolarHBondContact NE-O 3Å; R192-I486 PolarHBondContact NH2-O 3.46Å; R192-K487 PolarHBondContact NH2-O 3.45Å; R192-A489 VanDerWaalsContact CD-CB 3.44Å; R192-A489 HydrophobicContact CG-CB 4Å
193A92.5Very high83.7Confident0 Ų033.8 Ų33.80%016%0.163CC..EExtended strand (participates in β ladder)trans-107.4144-176.700000110.3I187 D188 N191 R195 P301 K303I187-A193 CarbonylContact C-O 3.35Å; I187-A193 WeakPolarHBondContact CA-O 3.32Å; D188-A193 HydrophobicContact CB-CB 4.2Å; D188-A193 PolarHBondContact N-O 2.97Å; D188-A193 PolarHBondContact O-N 2.75Å; N191-A193 HydrophobicContact CB-CB 4.09Å; N191-A193 PolarHBondContact O-N 3.4Å; A193-R195 PolarHBondContact O-N 3.36Å; A193-P301 CarbonylContact C-O 3.58Å; A193-P301 WeakPolarHBondContact CA-O 3.26Å; A193-P301 HydrophobicContact CB-CB 4.4Å; A193-P301 HydrophobicContact CB-CG 3.87Å; A193-P301 WeakPolarHBondContact CB-O 3.36Å; A193-K303 HydrophobicContact CB-CB 4.4Å; A193-K303 HydrophobicContact CB-CD 4.02Å; A193-K303 HydrophobicContact CB-CG 3.86Å
194I95.5Very high81.6Confident2 Ų239.3 Ų39.31%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-63.8121.8163.1-61.8172.5000106.8L185 I187 I196 F285 F289 L300 P301 I302 K303L185-I194 HydrophobicContact CD1-CG2 3.55Å; I187-I194 HydrophobicContact CD1-CG1 4.06Å; I194-I196 HydrophobicContact CG2-CD1 4.24Å; I194-F285 HydrophobicContact CD1-CD2 4.32Å; I194-F285 HydrophobicContact CD1-CE2 4.11Å; I194-F285 HydrophobicContact CD1-CZ 4.43Å; I194-F285 HydrophobicContact CG2-CE1 4.11Å; I194-F285 HydrophobicContact CG2-CZ 3.89Å; I194-F289 HydrophobicContact CD1-CE2 3.71Å; I194-F289 HydrophobicContact CD1-CZ 3.95Å; I194-F289 HydrophobicContact CG1-CE2 4.11Å; I194-F289 HydrophobicContact CG1-CZ 3.81Å; I194-F289 HydrophobicContact CG2-CZ 4.24Å; I194-L300 HydrophobicContact CD1-CB 4.28Å; I194-L300 HydrophobicContact CG1-CB 4.02Å; I194-L300 HydrophobicContact CG1-CD1 4.13Å; I194-P301 PolarHBondContact N-O 2.86Å; I194-I302 HydrophobicContact CB-CG1 4.32Å; I194-I302 HydrophobicContact CD1-CG1 4.45Å; I194-I302 CarbonylContact O-C 3.31Å; I194-I302 WeakPolarHBondContact O-CA 3.31Å; I194-K303 PolarHBondContact O-N 3.03Å
195R94.7Very high79.4Confident68 Ų6842.7 Ų42.726%0.25721%0.207SC..EExtended strand (participates in β ladder)trans-110.8116.9-177-171.4-178.972.3151.5-7.3109.6D186 D188 A193 K303 E305D186-R195 PolarHBondContact N-O 3.46Å; D186-R195 PolarHBondContact O-N 3.37Å; D188-R195 HydrophobicContact CB-CB 4.29Å; A193-R195 PolarHBondContact O-N 3.36Å; R195-K303 WeakPolarHBondContact CA-O 3.34Å; R195-E305 VanDerWaalsContact CD-OE1 3.29Å; R195-E305 WeakPolarHBondContact CD-OE1 3.3Å; R195-E305 HydrophobicContact CG-CG 4.32Å; R195-E305 IonicContact CZ-OE1 3.69Å; R195-E305 IonicContact NE-OE1 3.65Å; R195-E305 IonicContact NH1-OE1 3.38Å; R195-E305 PolarHBondContact NH1-OE1 3.16Å
196I95.5Very high77.2Confident1 Ų145.9 Ų45.91%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-97.8114.4168.8-51.2-55.4000107.2F183 S184 L185 I194 L272 W281 F285 K303 V304 E305 F310F183-I196 HydrophobicContact CB-CG2 4.11Å; F183-I196 HydrophobicContact CD2-CD1 4.47Å; F183-I196 HydrophobicContact CD2-CG2 4.06Å; F183-I196 HydrophobicContact CG-CG2 4.33Å; S184-I196 WeakPolarHBondContact O-CA 3.45Å; L185-I196 HydrophobicContact CD1-CD1 3.43Å; L185-I196 VanDerWaalsContact CD1-CD1 3.43Å; I194-I196 HydrophobicContact CG2-CD1 4.24Å; I196-L272 HydrophobicContact CG1-CD1 4.41Å; I196-W281 HydrophobicContact CD1-CH2 4.14Å; I196-W281 HydrophobicContact CD1-CZ3 3.68Å; I196-W281 HydrophobicContact CG1-CH2 4.32Å; I196-W281 HydrophobicContact CG1-CZ3 4.24Å; I196-W281 HydrophobicContact CG2-CH2 4.21Å; I196-F285 HydrophobicContact CD1-CE1 4.32Å; I196-F285 HydrophobicContact CD1-CZ 4.43Å; I196-K303 PolarHBondContact N-O 2.92Å; I196-V304 HydrophobicContact CB-CG2 4.31Å; I196-V304 WeakPolarHBondContact O-CA 3.29Å; I196-E305 PolarHBondContact O-N 2.82Å; I196-F310 HydrophobicContact CG2-CD1 4.29Å; I196-F310 HydrophobicContact CG2-CE1 3.92Å; I196-F310 HydrophobicContact CG2-CE2 4.21Å; I196-F310 HydrophobicContact CG2-CZ 3.89Å
197S91.1Very high75.2Confident14 Ų1450.7 Ų50.710%0.09826%0.255CS..EExtended strand (participates in β ladder)trans-122.2172.8176.967.70000111.1F183 S184 E305F183-S197 CarbonylContact C-O 3.52Å; F183-S197 WeakPolarHBondContact CA-O 3.33Å; S184-S197 WeakPolarHBondContact CB-OG 3.48Å; S184-S197 PolarHBondContact N-O 3.03Å; S184-S197 PolarHBondContact O-N 2.93Å; S197-E305 VanDerWaalsContact CB-CD 3.45Å
198S84.2Confident73.1Confident19 Ų1957.5 Ų57.513%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-47.5135.7171.1-74.80000112.6S184 T202 E306 R313S184-S198 WeakPolarHBondContact CB-O 3.48Å; S184-S198 PolarHBondContact OG-O 3.24Å; S198-T202 WeakPolarHBondContact CB-OG1 3.39Å; S198-E306 PolarHBondContact OG-OE2 2.84Å; S198-R313 VanDerWaalsContact CB-NH1 3.3Å; S198-R313 PolarHBondContact OG-NH1 3.02Å; S198-R313 PolarHBondContact OG-NH2 3.2Å
199G80.9Confident71.8Confident5 Ų562 Ų625%0.05231%0.307CS..  trans-74-178179.500000113.3S180 L201 T202S180-G199 WeakPolarHBondContact O-CA 3.45Å; G199-L201 PolarHBondContact O-N 3.04Å; G199-T202 PolarHBondContact N-OG1 3.11Å; G199-T202 VanDerWaalsContact N-OG1 3.11Å; G199-T202 PolarHBondContact O-N 3.25Å; G199-T202 VanDerWaalsContact O-N 3.12Å; G199-T202 PolarHBondContact O-OG1 3.31Å
200Q69.9Low71.1Confident55 Ų5559.5 Ų59.526%0.25730%0.298SS..THydrogen-bonded Turntrans-61-28.9-175.2-73.4-177.5-39.400114.1H179 S180 T202 E341H179-Q200 HydrophobicContact CB-CG 3.8Å; S180-Q200 PolarHBondContact O-N 3.01Å; Q200-T202 PolarHBondContact O-N 3.03Å; Q200-E341 PolarHBondContact NE2-OE1 3.2Å
201L59.6Low70.5Confident7 Ų757.2 Ų57.24%0.03729%0.288CS..THydrogen-bonded Turntrans-77.55.5-179.8-58.3-178.4000113.8P181 G199 I217 F245 L248 F252P181-L201 HydrophobicContact CB-CD1 3.81Å; P181-L201 HydrophobicContact CB-CG 4.35Å; G199-L201 PolarHBondContact O-N 3.04Å; L201-I217 HydrophobicContact CD2-CD1 3.9Å; L201-I217 HydrophobicContact CD2-CG2 3.97Å; L201-F245 HydrophobicContact CD1-CD2 4.42Å; L201-F245 HydrophobicContact CD1-CE2 4.41Å; L201-F245 HydrophobicContact CD2-CD2 4.39Å; L201-F245 HydrophobicContact CD2-CE2 3.61Å; L201-F245 HydrophobicContact CD2-CZ 4.39Å; L201-L248 HydrophobicContact CD1-CB 4.5Å; L201-F252 HydrophobicContact CB-CD2 4.04Å; L201-F252 HydrophobicContact CB-CE2 3.77Å; L201-F252 HydrophobicContact CD1-CE2 4.11Å
202T54.8Low69.9Low31 Ų3157.8 Ų57.819%0.1929%0.291CS..  trans-136.365-169.151.30000111.4S198 G199 Q200 F252 R313S198-T202 WeakPolarHBondContact CB-OG1 3.39Å; G199-T202 PolarHBondContact N-OG1 3.11Å; G199-T202 VanDerWaalsContact N-OG1 3.11Å; G199-T202 PolarHBondContact O-N 3.25Å; G199-T202 VanDerWaalsContact O-N 3.12Å; G199-T202 PolarHBondContact O-OG1 3.31Å; Q200-T202 PolarHBondContact O-N 3.03Å; T202-F252 HydrophobicContact CG2-CB 3.86Å; T202-F252 HydrophobicContact CG2-CD1 4.02Å; T202-F252 HydrophobicContact CG2-CD2 3.59Å; T202-F252 HydrophobicContact CG2-CE2 4.13Å; T202-F252 HydrophobicContact CG2-CG 3.54Å; T202-R313 PolarHBondContact OG1-NH1 3.46Å
203S48.6Very low69.3Low37 Ų3756 Ų5626%0.25929%0.286SS..  trans-86.2132.4168.6810000110.8Q205 K210S203-Q205 PolarHBondContact O-N 3.43Å; S203-K210 VanDerWaalsContact O-CE 3.25Å; S203-K210 WeakPolarHBondContact O-CE 3.2Å
204D47.7Very low68.5Low117 Ų11756.9 Ų56.963%0.62629%0.291SS*.  trans-83.150.6-180-165.818.9000111.6
205Q50.3Low67.8Low79 Ų7960.8 Ų60.837%0.36931%0.311SS..  trans-92.1167.5174.9-56.5-169.312.600110S203 K209 K210S203-Q205 PolarHBondContact O-N 3.43Å; Q205-K209 HydrophobicContact CB-CB 3.4Å; Q205-K209 HydrophobicContact CB-CD 3.87Å; Q205-K209 HydrophobicContact CB-CG 4.29Å; Q205-K209 HydrophobicContact CG-CB 4.39Å; Q205-K209 HydrophobicContact CG-CD 4.47Å; Q205-K209 VanDerWaalsContact OE1-CB 3.31Å; Q205-K210 WeakPolarHBondContact O-CE 3.1Å; Q205-K210 WeakPolarHBondContact O-CG 3.17Å
206S48.3Very low67.1Low68 Ų6862.1 Ų62.148%0.47632%0.319SS..  trans-52.6154172.758.10000111.2M208 K209 K210S206-M208 VanDerWaalsContact C-N 3.28Å; S206-M208 PolarHBondContact O-N 3.29Å; S206-M208 VanDerWaalsContact O-N 3.16Å; S206-K209 CarbonylContact O-C 3.57Å; S206-K209 WeakPolarHBondContact O-CA 3.31Å; S206-K209 WeakPolarHBondContact O-CB 3.48Å; S206-K209 PolarHBondContact O-N 3.43Å; S206-K209 WeakPolarHBondContact OG-CG 3.47Å; S206-K210 PolarHBondContact O-N 2.83Å
207L52.7Low66.5Low109 Ų10963.6 Ų63.657%0.57133%0.326SS*.Hα-helixtrans-49.6-46.3-177.1-159.294.1000112.8K209 K210 E211L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 3.34Å; L207-K210 WeakPolarHBondContact O-CA 3.14Å; L207-K210 WeakPolarHBondContact O-CB 3.46Å; L207-K210 PolarHBondContact O-N 2.75Å; L207-E211 PolarHBondContact O-N 3.34Å
208M48.7Very low66.2Low142 Ų14264.9 Ų64.970%0.733%0.33SS*.Hα-helixtrans-62-34.7175.5-68.3-158.1-61.400113.6S206 N212S206-M208 VanDerWaalsContact C-N 3.28Å; S206-M208 PolarHBondContact O-N 3.29Å; S206-M208 VanDerWaalsContact O-N 3.16Å; M208-N212 PolarHBondContact O-N 3.11Å; M208-N212 PolarHBondContact O-ND2 2.54Å
209K61.3Low66.3Low117 Ų11764.4 Ų64.451%0.50933%0.328SS..Hα-helixtrans-71.4-37.7173.7-77.3-180179.4-174.80110.8Q205 S206 L207 N212 E213Q205-K209 HydrophobicContact CB-CB 3.4Å; Q205-K209 HydrophobicContact CB-CD 3.87Å; Q205-K209 HydrophobicContact CB-CG 4.29Å; Q205-K209 HydrophobicContact CG-CB 4.39Å; Q205-K209 HydrophobicContact CG-CD 4.47Å; Q205-K209 VanDerWaalsContact OE1-CB 3.31Å; S206-K209 CarbonylContact O-C 3.57Å; S206-K209 WeakPolarHBondContact O-CA 3.31Å; S206-K209 WeakPolarHBondContact O-CB 3.48Å; S206-K209 PolarHBondContact O-N 3.43Å; S206-K209 WeakPolarHBondContact OG-CG 3.47Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 3.34Å; K209-N212 PolarHBondContact O-N 3.04Å; K209-E213 WeakPolarHBondContact O-CB 3.5Å; K209-E213 VanDerWaalsContact O-CG 3.28Å; K209-E213 WeakPolarHBondContact O-CG 3.4Å; K209-E213 PolarHBondContact O-N 3.41Å
210K65.6Low66.5Low45 Ų4565.4 Ų65.420%0.19633%0.332CS..Hα-helixtrans-58.5-51.4173.2-66.9-178.7177.3-178.20110.8S203 Q205 S206 L207 N212 E213 M214 L253S203-K210 VanDerWaalsContact O-CE 3.25Å; S203-K210 WeakPolarHBondContact O-CE 3.2Å; Q205-K210 WeakPolarHBondContact O-CE 3.1Å; Q205-K210 WeakPolarHBondContact O-CG 3.17Å; S206-K210 PolarHBondContact O-N 2.83Å; L207-K210 WeakPolarHBondContact O-CA 3.14Å; L207-K210 WeakPolarHBondContact O-CB 3.46Å; L207-K210 PolarHBondContact O-N 2.75Å; K210-N212 PolarHBondContact O-N 3.24Å; K210-E213 PolarHBondContact O-N 2.99Å; K210-M214 VanDerWaalsContact O-CG 3.25Å; K210-M214 WeakPolarHBondContact O-CG 3.39Å; K210-M214 PolarHBondContact O-N 2.9Å; K210-L253 HydrophobicContact CB-CD2 4.19Å; K210-L253 HydrophobicContact CD-CD2 3.73Å
211E69.2Low67.4Low112 Ų11262.8 Ų62.852%0.52332%0.319SS..Hα-helixtrans-57.6-46179-71.5175.4166.300112.5L207 M214 L215L207-E211 PolarHBondContact O-N 3.34Å; E211-M214 PolarHBondContact O-N 3.19Å; E211-L215 PolarHBondContact O-N 3.34Å
212N71.2Confident68.8Low89 Ų8965.8 Ų65.848%0.47633%0.331SS..Hα-helixtrans-64.3-42.6177.4-78.2-31.2000112.7M208 K209 K210 M214 L215 K216M208-N212 PolarHBondContact O-N 3.11Å; M208-N212 PolarHBondContact O-ND2 2.54Å; K209-N212 PolarHBondContact O-N 3.04Å; K210-N212 PolarHBondContact O-N 3.24Å; N212-M214 VanDerWaalsContact C-N 3.33Å; N212-L215 PolarHBondContact O-N 3.22Å; N212-K216 WeakPolarHBondContact O-CG 2.99Å; N212-K216 PolarHBondContact O-N 2.87Å; N212-K216 VanDerWaalsContact O-N 3.1Å
213E73Confident70.3Confident58 Ų5866.5 Ų66.527%0.27133%0.333SS..Hα-helixtrans-65.1-38.3175.5-69.9-55.3126.500111.3K209 K210 K216 I217K209-E213 WeakPolarHBondContact O-CB 3.5Å; K209-E213 VanDerWaalsContact O-CG 3.28Å; K209-E213 WeakPolarHBondContact O-CG 3.4Å; K209-E213 PolarHBondContact O-N 3.41Å; K210-E213 PolarHBondContact O-N 2.99Å; E213-K216 WeakPolarHBondContact O-CB 3.48Å; E213-K216 PolarHBondContact O-N 2.04Å; E213-K216 IonicContact OE1-NZ 3.88Å; E213-K216 PolarHBondContact OE1-NZ 2.82Å; E213-I217 WeakPolarHBondContact O-CG1 3.47Å; E213-I217 PolarHBondContact O-N 3.26Å
214M75.9Confident72.3Confident20 Ų2064.7 Ų64.710%0.09932%0.321CS..Hα-helixtrans-65.5-40.4176.1-68.7-48.791.400111.9K210 E211 N212 K216 I217 K218 I249K210-M214 VanDerWaalsContact O-CG 3.25Å; K210-M214 WeakPolarHBondContact O-CG 3.39Å; K210-M214 PolarHBondContact O-N 2.9Å; E211-M214 PolarHBondContact O-N 3.19Å; N212-M214 VanDerWaalsContact C-N 3.33Å; M214-K216 VanDerWaalsContact C-N 3.29Å; M214-K216 PolarHBondContact O-N 3.36Å; M214-I217 HydrophobicContact CE-CD1 3.58Å; M214-I217 PolarHBondContact O-N 3.34Å; M214-I217 HydrophobicContact SD-CD1 4.41Å; M214-K218 WeakPolarHBondContact O-CB 3.49Å; M214-K218 PolarHBondContact O-N 2.98Å; M214-I249 HydrophobicContact CB-CD1 4.24Å; M214-I249 HydrophobicContact CG-CD1 4.06Å; M214-I249 HydrophobicContact CG-CG2 3.89Å; M214-I249 HydrophobicContact SD-CD1 3.56Å; M214-I249 VanDerWaalsContact SD-CD1 3.56Å; M214-I249 HydrophobicContact SD-CG1 3.78Å; M214-I249 HydrophobicContact SD-CG2 4.07Å
215L80.6Confident74.3Confident84 Ų8460 Ų6044%0.4430%0.296SS..Hα-helixtrans-61.8-38.5175-172.364.6000111.6E211 N212 K218 A219E211-L215 PolarHBondContact O-N 3.34Å; N212-L215 PolarHBondContact O-N 3.22Å; L215-K218 PolarHBondContact O-N 3.07Å; L215-A219 WeakPolarHBondContact O-CB 3.45Å; L215-A219 PolarHBondContact O-N 3.45Å
216K80.4Confident76Confident95 Ų9564.1 Ų64.141%0.41331%0.31SS..Hα-helixtrans-64.2-45174.5-69.9172.4-172.61730112.1N212 E213 M214 A219 L220N212-K216 WeakPolarHBondContact O-CG 2.99Å; N212-K216 PolarHBondContact O-N 2.87Å; N212-K216 VanDerWaalsContact O-N 3.1Å; E213-K216 WeakPolarHBondContact O-CB 3.48Å; E213-K216 PolarHBondContact O-N 2.04Å; E213-K216 IonicContact OE1-NZ 3.88Å; E213-K216 PolarHBondContact OE1-NZ 2.82Å; M214-K216 VanDerWaalsContact C-N 3.29Å; M214-K216 PolarHBondContact O-N 3.36Å; K216-A219 PolarHBondContact O-N 2.86Å; K216-L220 WeakPolarHBondContact O-CG 3.34Å; K216-L220 PolarHBondContact O-N 2.84Å
217I82.7Confident77.8Confident32 Ų3261.1 Ų61.116%0.16429%0.288CS..Hα-helixtrans-62.6-46.3177.4-64.1174.7000109.9L201 E213 M214 A219 L220 L221 F245L201-I217 HydrophobicContact CD2-CD1 3.9Å; L201-I217 HydrophobicContact CD2-CG2 3.97Å; E213-I217 WeakPolarHBondContact O-CG1 3.47Å; E213-I217 PolarHBondContact O-N 3.26Å; M214-I217 HydrophobicContact CE-CD1 3.58Å; M214-I217 PolarHBondContact O-N 3.34Å; M214-I217 HydrophobicContact SD-CD1 4.41Å; I217-A219 VanDerWaalsContact C-N 3.31Å; I217-A219 PolarHBondContact O-N 3.41Å; I217-L220 WeakPolarHBondContact O-CB 3.48Å; I217-L220 PolarHBondContact O-N 3.17Å; I217-L220 VanDerWaalsContact O-N 3.11Å; I217-L221 HydrophobicContact CG2-CD1 4.48Å; I217-L221 WeakPolarHBondContact O-CG 3.35Å; I217-L221 PolarHBondContact O-N 3.34Å; I217-F245 HydrophobicContact CB-CZ 4.25Å; I217-F245 HydrophobicContact CG2-CE2 3.72Å; I217-F245 HydrophobicContact CG2-CZ 3.73Å
218K85.5Confident79.5Confident41 Ų4155.9 Ų55.918%0.17826%0.261CS..Hα-helixtrans-59.5-42.1177.3-163.2168.4-173.3155.30111.8M214 L215 L220 L221 Y222 F245 D246M214-K218 WeakPolarHBondContact O-CB 3.49Å; M214-K218 PolarHBondContact O-N 2.98Å; L215-K218 PolarHBondContact O-N 3.07Å; K218-L220 PolarHBondContact O-N 2.82Å; K218-L221 PolarHBondContact O-N 3.25Å; K218-Y222 HydrophobicContact CD-CE2 4.27Å; K218-Y222 WeakPolarHBondContact CE-OH 3.45Å; K218-Y222 HydrophobicContact CG-CD2 4.33Å; K218-Y222 HydrophobicContact CG-CE2 3.7Å; K218-Y222 WeakPolarHBondContact O-CD2 3.29Å; K218-Y222 PolarHBondContact O-N 3.16Å; K218-F245 HydrophobicContact CB-CE1 3.83Å; K218-F245 HydrophobicContact CB-CZ 4.24Å; K218-F245 HydrophobicContact CD-CE1 4.13Å; K218-F245 HydrophobicContact CG-CE1 3.93Å; K218-D246 IonicContact NZ-OD1 3.33Å; K218-D246 PolarHBondContact NZ-OD1 3.26Å; K218-D246 IonicContact NZ-OD2 2.65Å; K218-D246 PolarHBondContact NZ-OD2 3.39Å
219A85.4Confident81.3Confident10 Ų1053.8 Ų53.88%0.08325%0.253CS..Hα-helixtrans-62.1-39.7174.500000112.6V19 F23 L215 K216 I217 Y222 L223V19-A219 HydrophobicContact CG1-CB 3.92Å; F23-A219 HydrophobicContact CE2-CB 3.95Å; L215-A219 WeakPolarHBondContact O-CB 3.45Å; L215-A219 PolarHBondContact O-N 3.45Å; K216-A219 PolarHBondContact O-N 2.86Å; I217-A219 VanDerWaalsContact C-N 3.31Å; I217-A219 PolarHBondContact O-N 3.41Å; A219-Y222 PolarHBondContact O-N 3.41Å; A219-L223 WeakPolarHBondContact O-CB 3.45Å; A219-L223 PolarHBondContact O-N 2.75Å
220L85.1Confident82.5Confident25 Ų2548.7 Ų48.713%0.13123%0.231CC..Hα-helixtrans-67.5-34.6174.9-71.8171.5000112.7K216 I217 K218 L223 S224 A340 L347K216-L220 WeakPolarHBondContact O-CG 3.34Å; K216-L220 PolarHBondContact O-N 2.84Å; I217-L220 WeakPolarHBondContact O-CB 3.48Å; I217-L220 PolarHBondContact O-N 3.17Å; I217-L220 VanDerWaalsContact O-N 3.11Å; K218-L220 PolarHBondContact O-N 2.82Å; L220-L223 HydrophobicContact CD2-CD2 4.36Å; L220-L223 PolarHBondContact O-N 3.24Å; L220-S224 PolarHBondContact O-N 2.92Å; L220-S224 PolarHBondContact O-OG 2.91Å; L220-A340 HydrophobicContact CB-CB 3.98Å; L220-L347 HydrophobicContact CD2-CD2 4.2Å
221L89.2Confident83.3Confident0 Ų050.7 Ų50.70%024%0.241CC..Hα-helixtrans-66.1-42.5172.8-65.3175.3000111.3I217 K218 S224 V225 F242 F245 L333 L336 A340I217-L221 HydrophobicContact CG2-CD1 4.48Å; I217-L221 WeakPolarHBondContact O-CG 3.35Å; I217-L221 PolarHBondContact O-N 3.34Å; K218-L221 PolarHBondContact O-N 3.25Å; L221-S224 VanDerWaalsContact O-CB 3.3Å; L221-S224 WeakPolarHBondContact O-CB 3.24Å; L221-S224 PolarHBondContact O-N 3.41Å; L221-S224 VanDerWaalsContact O-N 3.15Å; L221-V225 PolarHBondContact O-N 3.47Å; L221-V225 VanDerWaalsContact O-N 3.08Å; L221-F242 HydrophobicContact CB-CE1 3.76Å; L221-F242 HydrophobicContact CB-CZ 4.39Å; L221-F242 HydrophobicContact CD1-CE1 4.39Å; L221-F245 HydrophobicContact CD1-CD1 4.36Å; L221-F245 HydrophobicContact CD1-CD2 3.6Å; L221-F245 HydrophobicContact CD1-CE1 4.3Å; L221-F245 HydrophobicContact CD1-CE2 3.5Å; L221-F245 HydrophobicContact CD1-CG 4Å; L221-F245 HydrophobicContact CD1-CZ 3.85Å; L221-L333 HydrophobicContact CD1-CD1 3.89Å; L221-L333 HydrophobicContact CD2-CD1 4.38Å; L221-L336 HydrophobicContact CD2-CB 3.73Å; L221-A340 HydrophobicContact CD2-CB 4.38Å
222Y88.9Confident83.3Confident70 Ų7050.1 Ų50.128%0.27525%0.245SC..Hα-helixtrans-63.1-41.4172.9-66.9-40.5000112.6K218 A219 S224 V225 Y226 F242K218-Y222 HydrophobicContact CD-CE2 4.27Å; K218-Y222 WeakPolarHBondContact CE-OH 3.45Å; K218-Y222 HydrophobicContact CG-CD2 4.33Å; K218-Y222 HydrophobicContact CG-CE2 3.7Å; K218-Y222 WeakPolarHBondContact O-CD2 3.29Å; K218-Y222 PolarHBondContact O-N 3.16Å; A219-Y222 PolarHBondContact O-N 3.41Å; Y222-S224 PolarHBondContact O-N 3.25Å; Y222-V225 PolarHBondContact O-N 3.23Å; Y222-Y226 PolarHBondContact O-N 2.84Å; Y222-F242 HydrophobicContact CD1-CD1 4.44Å; Y222-F242 AromaticContact CD1-CE1 3.63Å; Y222-F242 HydrophobicContact CD1-CE1 3.63Å; Y222-F242 AromaticContact CD1-CE2 3.8Å; Y222-F242 HydrophobicContact CD1-CE2 3.8Å; Y222-F242 AromaticContact CD1-CZ 3.28Å; Y222-F242 HydrophobicContact CD1-CZ 3.28Å; Y222-F242 AromaticContact CE1-CD1 3.78Å; Y222-F242 HydrophobicContact CE1-CD1 3.78Å; Y222-F242 AromaticContact CE1-CD2 3.86Å; Y222-F242 HydrophobicContact CE1-CD2 3.86Å; Y222-F242 AromaticContact CE1-CE1 3.42Å; Y222-F242 HydrophobicContact CE1-CE1 3.42Å; Y222-F242 VanDerWaalsContact CE1-CE1 3.42Å; Y222-F242 AromaticContact CE1-CE2 3.54Å; Y222-F242 HydrophobicContact CE1-CE2 3.54Å; Y222-F242 HydrophobicContact CE1-CG 4.01Å; Y222-F242 AromaticContact CE1-CZ 3.33Å; Y222-F242 HydrophobicContact CE1-CZ 3.33Å; Y222-F242 HydrophobicContact CG-CZ 4.43Å
223L86Confident83.6Confident46 Ų4649.6 Ų49.624%0.24125%0.248CC..Hα-helixtrans-59.9-35.5173.6-177.561000111.3L122 A219 L220 Y226 S227 N343L122-L223 HydrophobicContact CD1-CD1 3.91Å; A219-L223 WeakPolarHBondContact O-CB 3.45Å; A219-L223 PolarHBondContact O-N 2.75Å; L220-L223 HydrophobicContact CD2-CD2 4.36Å; L220-L223 PolarHBondContact O-N 3.24Å; L223-Y226 HydrophobicContact CD1-CD1 4.32Å; L223-Y226 PolarHBondContact O-N 3.13Å; L223-S227 VanDerWaalsContact O-CB 3.27Å; L223-S227 WeakPolarHBondContact O-CB 3.24Å; L223-S227 PolarHBondContact O-N 2.84Å; L223-S227 PolarHBondContact O-OG 2.88Å; L223-N343 HydrophobicContact CD2-CB 4.19Å
224S90Very high83.8Confident0 Ų048.8 Ų48.80%024%0.244CC..Hα-helixtrans-64.3-48.4175.8-57.70000111.9L220 L221 Y222 Y226 S227 L228 L336 A340 N343L220-S224 PolarHBondContact O-N 2.92Å; L220-S224 PolarHBondContact O-OG 2.91Å; L221-S224 VanDerWaalsContact O-CB 3.3Å; L221-S224 WeakPolarHBondContact O-CB 3.24Å; L221-S224 PolarHBondContact O-N 3.41Å; L221-S224 VanDerWaalsContact O-N 3.15Å; Y222-S224 PolarHBondContact O-N 3.25Å; S224-Y226 VanDerWaalsContact C-N 3.31Å; S224-Y226 PolarHBondContact O-N 2.64Å; S224-S227 WeakPolarHBondContact CA-OG 3.4Å; S224-S227 PolarHBondContact O-N 3.25Å; S224-S227 PolarHBondContact O-OG 3.48Å; S224-L228 WeakPolarHBondContact O-CD1 3.41Å; S224-L228 VanDerWaalsContact O-CG 3.25Å; S224-L228 WeakPolarHBondContact O-CG 3.44Å; S224-L228 PolarHBondContact O-N 2.79Å; S224-L228 VanDerWaalsContact O-N 3.17Å; S224-L336 PolarHBondContact OG-O 3.5Å; S224-A340 VanDerWaalsContact OG-CA 3.27Å; S224-A340 WeakPolarHBondContact OG-CA 3.3Å; S224-A340 PolarHBondContact OG-N 2.91Å; S224-A340 VanDerWaalsContact OG-N 3.1Å; S224-N343 WeakPolarHBondContact CA-ND2 3.43Å
225V90.1Very high83.9Confident18 Ų1852 Ų5211%0.10926%0.256CS..Hα-helixtrans-55-47.2173173.40000111.2L221 Y222 L228 N229 I230 L238 F242 L336L221-V225 PolarHBondContact O-N 3.47Å; L221-V225 VanDerWaalsContact O-N 3.08Å; Y222-V225 PolarHBondContact O-N 3.23Å; V225-L228 PolarHBondContact O-N 3.46Å; V225-N229 PolarHBondContact O-N 2.95Å; V225-I230 HydrophobicContact CB-CD1 4.37Å; V225-I230 HydrophobicContact CG1-CB 4.16Å; V225-I230 HydrophobicContact CG1-CD1 4.19Å; V225-I230 HydrophobicContact CG1-CG1 4.46Å; V225-I230 HydrophobicContact CG2-CD1 4.31Å; V225-I230 PolarHBondContact O-N 3.41Å; V225-L238 HydrophobicContact CG1-CD1 3.63Å; V225-L238 HydrophobicContact CG2-CD1 4.19Å; V225-L238 HydrophobicContact CG2-CD2 3.85Å; V225-F242 HydrophobicContact CG2-CE2 4.27Å; V225-F242 HydrophobicContact CG2-CZ 3.99Å; V225-L336 HydrophobicContact CG2-CD1 4.03Å; V225-L336 HydrophobicContact CG2-CD2 3.71Å
226Y85.9Confident84.1Confident166 Ų16651.2 Ų51.265%0.65126%0.258SS*.Hα-helixtrans-63.1-48.6179.1176.4-101.7000112.4L122 Y222 L223 S224 L228 N229L122-Y226 HydrophobicContact CD1-CD1 3.77Å; L122-Y226 HydrophobicContact CD1-CE1 3.74Å; Y222-Y226 PolarHBondContact O-N 2.84Å; L223-Y226 HydrophobicContact CD1-CD1 4.32Å; L223-Y226 PolarHBondContact O-N 3.13Å; S224-Y226 VanDerWaalsContact C-N 3.31Å; S224-Y226 PolarHBondContact O-N 2.64Å; Y226-L228 PolarHBondContact O-N 2.95Å; Y226-L228 VanDerWaalsContact O-N 3.16Å; Y226-N229 PolarHBondContact O-N 3.37Å
227S86.4Confident84.3Confident4 Ų450 Ų503%0.02825%0.254CS..Hα-helixtrans-60.1-28.2-178.766.60000113.1R127 L223 S224 N343R127-S227 WeakPolarHBondContact CG-O 3.26Å; L223-S227 VanDerWaalsContact O-CB 3.27Å; L223-S227 WeakPolarHBondContact O-CB 3.24Å; L223-S227 PolarHBondContact O-N 2.84Å; L223-S227 PolarHBondContact O-OG 2.88Å; S224-S227 WeakPolarHBondContact CA-OG 3.4Å; S224-S227 PolarHBondContact O-N 3.25Å; S224-S227 PolarHBondContact O-OG 3.48Å; S227-N343 PolarHBondContact OG-ND2 2.9Å
228L89Confident84.5Confident0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-88.9-8.9-179.8-65.6168.7000113.3L130 R131 I134 W141 L144 S224 V225 Y226 I230 V339L130-L228 HydrophobicContact CB-CD2 3.79Å; L130-L228 HydrophobicContact CD1-CD2 4.44Å; R131-L228 HydrophobicContact CG-CD2 4.31Å; R131-L228 PolarHBondContact NH2-O 3.31Å; I134-L228 HydrophobicContact CD1-CD1 3.84Å; I134-L228 HydrophobicContact CD1-CD2 3.61Å; I134-L228 HydrophobicContact CD1-CG 4.39Å; W141-L228 HydrophobicContact CH2-CD1 4.17Å; W141-L228 HydrophobicContact CZ3-CD1 3.58Å; L144-L228 HydrophobicContact CD2-CB 4.29Å; S224-L228 WeakPolarHBondContact O-CD1 3.41Å; S224-L228 VanDerWaalsContact O-CG 3.25Å; S224-L228 WeakPolarHBondContact O-CG 3.44Å; S224-L228 PolarHBondContact O-N 2.79Å; S224-L228 VanDerWaalsContact O-N 3.17Å; V225-L228 PolarHBondContact O-N 3.46Å; Y226-L228 PolarHBondContact O-N 2.95Å; Y226-L228 VanDerWaalsContact O-N 3.16Å; L228-I230 HydrophobicContact CB-CD1 4.4Å; L228-I230 HydrophobicContact CB-CG1 3.93Å; L228-I230 HydrophobicContact CD1-CD1 4.47Å; L228-V339 HydrophobicContact CD1-CB 4.46Å; L228-V339 HydrophobicContact CD1-CG1 4.17Å; L228-V339 HydrophobicContact CD1-CG2 3.95Å; L228-V339 HydrophobicContact CG-CG1 4.38Å
229N86Confident84.7Confident97 Ų9753.2 Ų53.252%0.51926%0.264SS..THydrogen-bonded Turntrans51.152.2-174.2-168.944.1000112.1V225 Y226V225-N229 PolarHBondContact O-N 2.95Å; Y226-N229 PolarHBondContact O-N 3.37Å
230I86.1Confident85Confident10 Ų1055.1 Ų55.15%0.05127%0.273CS..  trans-68.5131.8177.7-57.6179.3000109.2W141 L143 V225 L228 Q234 L238W141-I230 HydrophobicContact CH2-CD1 3.53Å; W141-I230 HydrophobicContact CZ3-CD1 3.86Å; L143-I230 HydrophobicContact CB-CG2 4.28Å; V225-I230 HydrophobicContact CB-CD1 4.37Å; V225-I230 HydrophobicContact CG1-CB 4.16Å; V225-I230 HydrophobicContact CG1-CD1 4.19Å; V225-I230 HydrophobicContact CG1-CG1 4.46Å; V225-I230 HydrophobicContact CG2-CD1 4.31Å; V225-I230 PolarHBondContact O-N 3.41Å; L228-I230 HydrophobicContact CB-CD1 4.4Å; L228-I230 HydrophobicContact CB-CG1 3.93Å; L228-I230 HydrophobicContact CD1-CD1 4.47Å; I230-Q234 HydrophobicContact CG2-CB 3.85Å; I230-Q234 HydrophobicContact CG2-CG 4.33Å; I230-L238 HydrophobicContact CB-CD1 4.46Å; I230-L238 HydrophobicContact CD1-CD2 4.27Å; I230-L238 HydrophobicContact CG2-CD1 3.95Å
231E81.7Confident85.3Confident87 Ų8753.9 Ų53.941%0.40727%0.266SS..  trans-66149.2-175.9-66.8-176.2-172.600113T145 S233 Q234T145-E231 HydrophobicContact CG2-CG 4.47Å; T145-E231 WeakPolarHBondContact CG2-OE1 3.44Å; T145-E231 PolarHBondContact OG1-OE1 3Å; T145-E231 VanDerWaalsContact OG1-OE1 3.07Å; E231-S233 WeakPolarHBondContact CB-OG 3.36Å; E231-S233 PolarHBondContact O-N 3.29Å; E231-S233 PolarHBondContact OE2-OG 3.05Å; E231-Q234 WeakPolarHBondContact O-CB 3.19Å; E231-Q234 PolarHBondContact O-N 2.93Å
232V71.2Confident85.4Confident101 Ų10154.9 Ų54.961%0.61227%0.27SS*.G310 helixtrans-60-28.6178.6178.90000112.5Q234 Y235V232-Q234 PolarHBondContact O-N 3.19Å; V232-Y235 HydrophobicContact CB-CD2 4.37Å; V232-Y235 HydrophobicContact CB-CE1 4.48Å; V232-Y235 HydrophobicContact CB-CE2 4.12Å; V232-Y235 HydrophobicContact CG1-CD2 3.82Å; V232-Y235 HydrophobicContact CG1-CE2 3.81Å; V232-Y235 HydrophobicContact CG1-CG 4.38Å; V232-Y235 HydrophobicContact CG2-CE1 4.43Å; V232-Y235 HydrophobicContact CG2-CE2 3.95Å; V232-Y235 VanDerWaalsContact O-CB 3.27Å; V232-Y235 WeakPolarHBondContact O-CB 3.46Å; V232-Y235 VanDerWaalsContact O-CG 3.24Å; V232-Y235 PolarHBondContact O-N 3.5Å
233S75.6Confident85.5Confident78 Ų7855 Ų5555%0.54527%0.274SS..G310 helixtrans-60.3-26.8176.247.50000113.2E231 Y235E231-S233 WeakPolarHBondContact CB-OG 3.36Å; E231-S233 PolarHBondContact O-N 3.29Å; E231-S233 PolarHBondContact OE2-OG 3.05Å; S233-Y235 VanDerWaalsContact C-N 3.32Å
234Q78.5Confident85.8Confident40 Ų4052.8 Ų52.819%0.18726%0.262CS..G310 helixtrans-90.18.1-178.6-59.3-67.5-22.900112.8L143 I230 E231 V232 S236 E237 L238L143-Q234 HydrophobicContact CD2-CB 4.21Å; L143-Q234 HydrophobicContact CD2-CG 4.43Å; L143-Q234 VanDerWaalsContact CD2-OE1 3.23Å; I230-Q234 HydrophobicContact CG2-CB 3.85Å; I230-Q234 HydrophobicContact CG2-CG 4.33Å; E231-Q234 WeakPolarHBondContact O-CB 3.19Å; E231-Q234 PolarHBondContact O-N 2.93Å; V232-Q234 PolarHBondContact O-N 3.19Å; Q234-S236 VanDerWaalsContact C-N 3.27Å; Q234-S236 PolarHBondContact O-N 2.97Å; Q234-E237 PolarHBondContact O-N 3.38Å; Q234-L238 PolarHBondContact O-N 2.75Å; Q234-L238 VanDerWaalsContact O-N 3.16Å
235Y78.5Confident85.8Confident89 Ų8952.9 Ų52.935%0.34926%0.262SS..Hα-helixtrans-70.4-20.4-173.6-788000113.6F8 V232 S233 L238 Y239F8-Y235 HydrophobicContact CE1-CD2 4.4Å; V232-Y235 HydrophobicContact CB-CD2 4.37Å; V232-Y235 HydrophobicContact CB-CE1 4.48Å; V232-Y235 HydrophobicContact CB-CE2 4.12Å; V232-Y235 HydrophobicContact CG1-CD2 3.82Å; V232-Y235 HydrophobicContact CG1-CE2 3.81Å; V232-Y235 HydrophobicContact CG1-CG 4.38Å; V232-Y235 HydrophobicContact CG2-CE1 4.43Å; V232-Y235 HydrophobicContact CG2-CE2 3.95Å; V232-Y235 VanDerWaalsContact O-CB 3.27Å; V232-Y235 WeakPolarHBondContact O-CB 3.46Å; V232-Y235 VanDerWaalsContact O-CG 3.24Å; V232-Y235 PolarHBondContact O-N 3.5Å; S233-Y235 VanDerWaalsContact C-N 3.32Å; Y235-L238 HydrophobicContact CD1-CD1 3.87Å; Y235-L238 HydrophobicContact CE1-CD1 4.22Å; Y235-Y239 VanDerWaalsContact O-CB 3.3Å; Y235-Y239 WeakPolarHBondContact O-CB 3.4Å; Y235-Y239 PolarHBondContact O-N 3.12Å
236S83.4Confident85.6Confident67 Ų6754.1 Ų54.147%0.46927%0.268SS..Hα-helixtrans-63.1-52.6170.1250000111.3Q234 L238 Y239 D240Q234-S236 VanDerWaalsContact C-N 3.27Å; Q234-S236 PolarHBondContact O-N 2.97Å; S236-L238 VanDerWaalsContact C-N 3.29Å; S236-L238 PolarHBondContact O-N 3.07Å; S236-Y239 WeakPolarHBondContact O-CA 3.48Å; S236-Y239 VanDerWaalsContact O-CB 3.29Å; S236-Y239 WeakPolarHBondContact O-CB 3.4Å; S236-Y239 PolarHBondContact O-N 3.05Å; S236-D240 PolarHBondContact O-N 3.48Å
237E84.6Confident85.7Confident70 Ų7051.4 Ų51.433%0.32726%0.257SS..Hα-helixtrans-64.8-36.5-178.4-67.381.7171.100111L143 Q234 T241L143-E237 HydrophobicContact CD2-CB 3.82Å; L143-E237 HydrophobicContact CD2-CG 4.25Å; Q234-E237 PolarHBondContact O-N 3.38Å; E237-T241 WeakPolarHBondContact O-CB 3.33Å; E237-T241 PolarHBondContact O-N 3.17Å; E237-T241 VanDerWaalsContact O-N 3.09Å; E237-T241 PolarHBondContact O-OG1 2.83Å
238L88.2Confident85.6Confident8 Ų851.2 Ų51.24%0.04226%0.256CS..Hα-helixtrans-66.8-39.8170.8-71.1177.2000112L143 V225 I230 Q234 Y235 S236 D240 T241 F242 L336L143-L238 HydrophobicContact CD1-CD2 3.69Å; L143-L238 HydrophobicContact CD1-CG 4.18Å; V225-L238 HydrophobicContact CG1-CD1 3.63Å; V225-L238 HydrophobicContact CG2-CD1 4.19Å; V225-L238 HydrophobicContact CG2-CD2 3.85Å; I230-L238 HydrophobicContact CB-CD1 4.46Å; I230-L238 HydrophobicContact CD1-CD2 4.27Å; I230-L238 HydrophobicContact CG2-CD1 3.95Å; Q234-L238 PolarHBondContact O-N 2.75Å; Q234-L238 VanDerWaalsContact O-N 3.16Å; Y235-L238 HydrophobicContact CD1-CD1 3.87Å; Y235-L238 HydrophobicContact CE1-CD1 4.22Å; S236-L238 VanDerWaalsContact C-N 3.29Å; S236-L238 PolarHBondContact O-N 3.07Å; L238-D240 VanDerWaalsContact C-N 3.34Å; L238-D240 PolarHBondContact O-N 2.99Å; L238-T241 WeakPolarHBondContact O-CB 3.47Å; L238-T241 PolarHBondContact O-N 3.36Å; L238-F242 HydrophobicContact CB-CD2 4.43Å; L238-F242 HydrophobicContact CB-CE2 4.25Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 3.34Å; L238-L336 HydrophobicContact CD2-CD1 4.18Å
239Y89.2Confident85.1Confident131 Ų13151.8 Ų51.851%0.51426%0.259SS..Hα-helixtrans-59.1-47.1176.8177.4-97.9000110.8Y235 S236 T241 F242 Q243Y235-Y239 VanDerWaalsContact O-CB 3.3Å; Y235-Y239 WeakPolarHBondContact O-CB 3.4Å; Y235-Y239 PolarHBondContact O-N 3.12Å; S236-Y239 WeakPolarHBondContact O-CA 3.48Å; S236-Y239 VanDerWaalsContact O-CB 3.29Å; S236-Y239 WeakPolarHBondContact O-CB 3.4Å; S236-Y239 PolarHBondContact O-N 3.05Å; Y239-T241 VanDerWaalsContact C-N 3.29Å; Y239-T241 PolarHBondContact O-N 2.91Å; Y239-F242 PolarHBondContact O-N 2.9Å; Y239-F242 VanDerWaalsContact O-N 3.14Å; Y239-Q243 HydrophobicContact CD1-CG 3.98Å; Y239-Q243 HydrophobicContact CE1-CG 3.58Å; Y239-Q243 HydrophobicContact CE2-CG 4.21Å; Y239-Q243 HydrophobicContact CG-CG 4.46Å; Y239-Q243 WeakPolarHBondContact O-CG 3.49Å; Y239-Q243 PolarHBondContact O-N 3.4Å; Y239-Q243 PolarHBondContact OH-NE2 3.31Å
240D90.8Very high84.7Confident50 Ų5052.1 Ų52.127%0.26726%0.26SS..Hα-helixtrans-63-38.1177.6-59.5-30.5000111.7S236 L238 F242 Q243 L244 A329S236-D240 PolarHBondContact O-N 3.48Å; L238-D240 VanDerWaalsContact C-N 3.34Å; L238-D240 PolarHBondContact O-N 2.99Å; D240-F242 PolarHBondContact O-N 3.21Å; D240-Q243 PolarHBondContact O-N 3.34Å; D240-L244 WeakPolarHBondContact O-CB 3.44Å; D240-L244 PolarHBondContact O-N 3.3Å; D240-A329 HydrophobicContact CB-CB 4.43Å
241T91.9Very high84.1Confident0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-59.4-45.2173-57.50000112E237 L238 Y239 L244 F245 N332 L333 L336E237-T241 WeakPolarHBondContact O-CB 3.33Å; E237-T241 PolarHBondContact O-N 3.17Å; E237-T241 VanDerWaalsContact O-N 3.09Å; E237-T241 PolarHBondContact O-OG1 2.83Å; L238-T241 WeakPolarHBondContact O-CB 3.47Å; L238-T241 PolarHBondContact O-N 3.36Å; Y239-T241 VanDerWaalsContact C-N 3.29Å; Y239-T241 PolarHBondContact O-N 2.91Å; T241-L244 PolarHBondContact O-N 2.99Å; T241-F245 PolarHBondContact O-N 2.9Å; T241-N332 HydrophobicContact CG2-CB 3.83Å; T241-N332 VanDerWaalsContact OG1-CB 3.26Å; T241-N332 WeakPolarHBondContact OG1-CB 3.3Å; T241-N332 PolarHBondContact OG1-ND2 2.78Å; T241-L333 HydrophobicContact CG2-CB 3.89Å; T241-L333 HydrophobicContact CG2-CD1 4.48Å; T241-L336 HydrophobicContact CG2-CD1 4.01Å
242F91.7Very high83.4Confident20 Ų2048.9 Ų48.99%0.08825%0.247CC..Hα-helixtrans-73.8-34178.3-72.3-63.1000113L221 Y222 V225 L238 Y239 D240 L244 F245 D246 L336L221-F242 HydrophobicContact CB-CE1 3.76Å; L221-F242 HydrophobicContact CB-CZ 4.39Å; L221-F242 HydrophobicContact CD1-CE1 4.39Å; Y222-F242 HydrophobicContact CD1-CD1 4.44Å; Y222-F242 AromaticContact CD1-CE1 3.63Å; Y222-F242 HydrophobicContact CD1-CE1 3.63Å; Y222-F242 AromaticContact CD1-CE2 3.8Å; Y222-F242 HydrophobicContact CD1-CE2 3.8Å; Y222-F242 AromaticContact CD1-CZ 3.28Å; Y222-F242 HydrophobicContact CD1-CZ 3.28Å; Y222-F242 AromaticContact CE1-CD1 3.78Å; Y222-F242 HydrophobicContact CE1-CD1 3.78Å; Y222-F242 AromaticContact CE1-CD2 3.86Å; Y222-F242 HydrophobicContact CE1-CD2 3.86Å; Y222-F242 AromaticContact CE1-CE1 3.42Å; Y222-F242 HydrophobicContact CE1-CE1 3.42Å; Y222-F242 VanDerWaalsContact CE1-CE1 3.42Å; Y222-F242 AromaticContact CE1-CE2 3.54Å; Y222-F242 HydrophobicContact CE1-CE2 3.54Å; Y222-F242 HydrophobicContact CE1-CG 4.01Å; Y222-F242 AromaticContact CE1-CZ 3.33Å; Y222-F242 HydrophobicContact CE1-CZ 3.33Å; Y222-F242 HydrophobicContact CG-CZ 4.43Å; V225-F242 HydrophobicContact CG2-CE2 4.27Å; V225-F242 HydrophobicContact CG2-CZ 3.99Å; L238-F242 HydrophobicContact CB-CD2 4.43Å; L238-F242 HydrophobicContact CB-CE2 4.25Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 3.34Å; Y239-F242 PolarHBondContact O-N 2.9Å; Y239-F242 VanDerWaalsContact O-N 3.14Å; D240-F242 PolarHBondContact O-N 3.21Å; F242-L244 VanDerWaalsContact C-N 3.33Å; F242-F245 WeakPolarHBondContact O-CB 3.47Å; F242-F245 PolarHBondContact O-N 3.41Å; F242-D246 PolarHBondContact O-N 3.21Å; F242-L336 HydrophobicContact CZ-CD1 4.41Å
243Q91.6Very high83.2Confident73 Ų7346.8 Ų46.834%0.34123%0.232SC..Hα-helixtrans-62.4-43.6170.7-71.8-55.6-44.700110.7Y239 D240 F245 D246 R247Y239-Q243 HydrophobicContact CD1-CG 3.98Å; Y239-Q243 HydrophobicContact CE1-CG 3.58Å; Y239-Q243 HydrophobicContact CE2-CG 4.21Å; Y239-Q243 HydrophobicContact CG-CG 4.46Å; Y239-Q243 WeakPolarHBondContact O-CG 3.49Å; Y239-Q243 PolarHBondContact O-N 3.4Å; Y239-Q243 PolarHBondContact OH-NE2 3.31Å; D240-Q243 PolarHBondContact O-N 3.34Å; Q243-F245 PolarHBondContact O-N 3.41Å; Q243-D246 PolarHBondContact O-N 2.81Å; Q243-R247 WeakPolarHBondContact O-CG 3.44Å; Q243-R247 PolarHBondContact O-N 3.4Å
244L91.1Very high82.6Confident0 Ų045.9 Ų45.90%022%0.221CC..Hα-helixtrans-60.4-45174.5174.258.9000111.9D240 T241 F242 D246 R247 L248 F316 Q320 A329 L330D240-L244 WeakPolarHBondContact O-CB 3.44Å; D240-L244 PolarHBondContact O-N 3.3Å; T241-L244 PolarHBondContact O-N 2.99Å; F242-L244 VanDerWaalsContact C-N 3.33Å; L244-D246 PolarHBondContact O-N 2.91Å; L244-R247 PolarHBondContact O-N 3.13Å; L244-L248 HydrophobicContact CD1-CD1 4.19Å; L244-L248 HydrophobicContact CD1-CG 4.11Å; L244-L248 HydrophobicContact CG-CD1 4.07Å; L244-L248 HydrophobicContact CG-CG 4.47Å; L244-L248 WeakPolarHBondContact O-CB 3.41Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.49Å; L244-F316 HydrophobicContact CD1-CE1 4.43Å; L244-Q320 HydrophobicContact CD1-CG 3.71Å; L244-A329 HydrophobicContact CB-CB 4.32Å; L244-A329 HydrophobicContact CD2-CB 3.85Å; L244-L330 HydrophobicContact CD2-CB 3.85Å; L244-L330 HydrophobicContact CD2-CD1 4.1Å
245F89.6Confident81.5Confident1 Ų148.9 Ų48.90%0.00424%0.244CC..Hα-helixtrans-56.4-47.3174.6172.7-100.5000112.3L201 I217 K218 L221 T241 F242 Q243 R247 L248 I249 L333L201-F245 HydrophobicContact CD1-CD2 4.42Å; L201-F245 HydrophobicContact CD1-CE2 4.41Å; L201-F245 HydrophobicContact CD2-CD2 4.39Å; L201-F245 HydrophobicContact CD2-CE2 3.61Å; L201-F245 HydrophobicContact CD2-CZ 4.39Å; I217-F245 HydrophobicContact CB-CZ 4.25Å; I217-F245 HydrophobicContact CG2-CE2 3.72Å; I217-F245 HydrophobicContact CG2-CZ 3.73Å; K218-F245 HydrophobicContact CB-CE1 3.83Å; K218-F245 HydrophobicContact CB-CZ 4.24Å; K218-F245 HydrophobicContact CD-CE1 4.13Å; K218-F245 HydrophobicContact CG-CE1 3.93Å; L221-F245 HydrophobicContact CD1-CD1 4.36Å; L221-F245 HydrophobicContact CD1-CD2 3.6Å; L221-F245 HydrophobicContact CD1-CE1 4.3Å; L221-F245 HydrophobicContact CD1-CE2 3.5Å; L221-F245 HydrophobicContact CD1-CG 4Å; L221-F245 HydrophobicContact CD1-CZ 3.85Å; T241-F245 PolarHBondContact O-N 2.9Å; F242-F245 WeakPolarHBondContact O-CB 3.47Å; F242-F245 PolarHBondContact O-N 3.41Å; Q243-F245 PolarHBondContact O-N 3.41Å; F245-R247 PolarHBondContact O-N 2.98Å; F245-L248 WeakPolarHBondContact O-CB 3.31Å; F245-L248 PolarHBondContact O-N 2.9Å; F245-I249 HydrophobicContact CD1-CD1 3.78Å; F245-I249 HydrophobicContact CD2-CD1 4.17Å; F245-I249 HydrophobicContact CE1-CD1 3.23Å; F245-I249 HydrophobicContact CE1-CG1 4.5Å; F245-I249 HydrophobicContact CE2-CD1 3.7Å; F245-I249 HydrophobicContact CE2-CG1 4.44Å; F245-I249 HydrophobicContact CG-CD1 4.24Å; F245-I249 HydrophobicContact CZ-CD1 3.22Å; F245-I249 HydrophobicContact CZ-CG1 4.37Å; F245-I249 WeakPolarHBondContact O-CG1 3.45Å; F245-I249 PolarHBondContact O-N 3.45Å; F245-L333 HydrophobicContact CB-CD1 4.03Å; F245-L333 HydrophobicContact CB-CD2 4.25Å; F245-L333 HydrophobicContact CD2-CD1 3.92Å; F245-L333 HydrophobicContact CG-CD1 4.37Å
246D87.1Confident80.4Confident44 Ų4453.2 Ų53.224%0.23527%0.267CS..Hα-helixtrans-64.1-39.6177.9-71.8-24.1000111.4K218 F242 Q243 L244 I249 N250K218-D246 IonicContact NZ-OD1 3.33Å; K218-D246 PolarHBondContact NZ-OD1 3.26Å; K218-D246 IonicContact NZ-OD2 2.65Å; K218-D246 PolarHBondContact NZ-OD2 3.39Å; F242-D246 PolarHBondContact O-N 3.21Å; Q243-D246 PolarHBondContact O-N 2.81Å; L244-D246 PolarHBondContact O-N 2.91Å; D246-I249 PolarHBondContact O-N 3.11Å; D246-N250 WeakPolarHBondContact O-CB 3.13Å; D246-N250 PolarHBondContact O-N 3.22Å; D246-N250 PolarHBondContact O-ND2 3.32Å
247R87.1Confident79.1Confident109 Ų10951.3 Ų51.341%0.41125%0.253SS..Hα-helixtrans-63.3-43.5174.2-70-171.8-60-162.24.4112.3Q243 L244 F245 N250 A251 F316 N326Q243-R247 WeakPolarHBondContact O-CG 3.44Å; Q243-R247 PolarHBondContact O-N 3.4Å; L244-R247 PolarHBondContact O-N 3.13Å; F245-R247 PolarHBondContact O-N 2.98Å; R247-N250 PolarHBondContact O-N 3.11Å; R247-A251 WeakPolarHBondContact O-CB 3.39Å; R247-A251 PolarHBondContact O-N 3.01Å; R247-F316 HydrophobicContact CB-CE1 4.48Å; R247-F316 HydrophobicContact CB-CZ 3.92Å; R247-N326 PolarHBondContact NH2-OD1 3.18Å
248L84.3Confident77.6Confident0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-58.5-49.6176.1-77.5167.8000110.4L201 L244 F245 N250 A251 F252 F316 H317 L333L201-L248 HydrophobicContact CD1-CB 4.5Å; L244-L248 HydrophobicContact CD1-CD1 4.19Å; L244-L248 HydrophobicContact CD1-CG 4.11Å; L244-L248 HydrophobicContact CG-CD1 4.07Å; L244-L248 HydrophobicContact CG-CG 4.47Å; L244-L248 WeakPolarHBondContact O-CB 3.41Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.49Å; F245-L248 WeakPolarHBondContact O-CB 3.31Å; F245-L248 PolarHBondContact O-N 2.9Å; L248-N250 PolarHBondContact O-N 3.47Å; L248-A251 WeakPolarHBondContact O-CB 3.28Å; L248-A251 PolarHBondContact O-N 3.24Å; L248-F252 VanDerWaalsContact C-CE2 3.49Å; L248-F252 HydrophobicContact CB-CE2 4.08Å; L248-F252 HydrophobicContact CB-CZ 4.26Å; L248-F252 HydrophobicContact CD2-CZ 4.22Å; L248-F252 WeakPolarHBondContact O-CD2 3.4Å; L248-F252 WeakPolarHBondContact O-CE2 3.45Å; L248-F252 VanDerWaalsContact O-CG 3.24Å; L248-F252 WeakPolarHBondContact O-CG 3.33Å; L248-F252 WeakPolarHBondContact O-CZ 3.47Å; L248-F252 PolarHBondContact O-N 3.41Å; L248-F316 HydrophobicContact CD2-CD1 3.38Å; L248-F316 HydrophobicContact CD2-CE1 3.55Å; L248-F316 HydrophobicContact CG-CD1 4.28Å; L248-F316 HydrophobicContact CG-CE1 3.94Å; L248-H317 WeakPolarHBondContact CD2-CE1 3.44Å; L248-L333 HydrophobicContact CD1-CD2 3.5Å; L248-L333 VanDerWaalsContact CD1-CD2 3.5Å
249I79.1Confident75.9Confident12 Ų1255.2 Ų55.26%0.06229%0.286CS..Hα-helixtrans-60.2-48.4178-71.2173.4000111.7M214 F245 D246 A251 F252 L253M214-I249 HydrophobicContact CB-CD1 4.24Å; M214-I249 HydrophobicContact CG-CD1 4.06Å; M214-I249 HydrophobicContact CG-CG2 3.89Å; M214-I249 HydrophobicContact SD-CD1 3.56Å; M214-I249 VanDerWaalsContact SD-CD1 3.56Å; M214-I249 HydrophobicContact SD-CG1 3.78Å; M214-I249 HydrophobicContact SD-CG2 4.07Å; F245-I249 HydrophobicContact CD1-CD1 3.78Å; F245-I249 HydrophobicContact CD2-CD1 4.17Å; F245-I249 HydrophobicContact CE1-CD1 3.23Å; F245-I249 HydrophobicContact CE1-CG1 4.5Å; F245-I249 HydrophobicContact CE2-CD1 3.7Å; F245-I249 HydrophobicContact CE2-CG1 4.44Å; F245-I249 HydrophobicContact CG-CD1 4.24Å; F245-I249 HydrophobicContact CZ-CD1 3.22Å; F245-I249 HydrophobicContact CZ-CG1 4.37Å; F245-I249 WeakPolarHBondContact O-CG1 3.45Å; F245-I249 PolarHBondContact O-N 3.45Å; D246-I249 PolarHBondContact O-N 3.11Å; I249-A251 VanDerWaalsContact C-N 3.27Å; I249-A251 PolarHBondContact O-N 3.48Å; I249-F252 WeakPolarHBondContact O-CA 3.32Å; I249-F252 WeakPolarHBondContact O-CB 3.43Å; I249-F252 PolarHBondContact O-N 3.28Å; I249-L253 HydrophobicContact CG2-CD1 4Å; I249-L253 HydrophobicContact CG2-CG 4.34Å; I249-L253 PolarHBondContact O-N 3.01Å; I249-L253 VanDerWaalsContact O-N 3.14Å
250N77.4Confident74.2Confident104 Ų10454.7 Ų54.756%0.55630%0.298SS*.Hα-helixtrans-62.5-36.3-178.2-73.6-26.7000111.9D246 R247 L248 F252 L253D246-N250 WeakPolarHBondContact O-CB 3.13Å; D246-N250 PolarHBondContact O-N 3.22Å; D246-N250 PolarHBondContact O-ND2 3.32Å; R247-N250 PolarHBondContact O-N 3.11Å; L248-N250 PolarHBondContact O-N 3.47Å; N250-F252 PolarHBondContact O-N 3.47Å; N250-L253 PolarHBondContact O-N 3.27Å
251A72.5Confident72.6Confident11 Ų1160 Ų609%0.09132%0.319CS..Hα-helixtrans-61.2-22172.700000113R247 L248 I249 F316R247-A251 WeakPolarHBondContact O-CB 3.39Å; R247-A251 PolarHBondContact O-N 3.01Å; L248-A251 WeakPolarHBondContact O-CB 3.28Å; L248-A251 PolarHBondContact O-N 3.24Å; I249-A251 VanDerWaalsContact C-N 3.27Å; I249-A251 PolarHBondContact O-N 3.48Å; A251-F316 HydrophobicContact CB-CD2 4.18Å; A251-F316 HydrophobicContact CB-CE2 4.29Å; A251-F316 HydrophobicContact CB-CG 4.49Å
252F67.9Low71.2Confident18 Ų1865.7 Ų65.78%0.07934%0.344CS..Hα-helixtrans-95.3-16.8178.2-48.9-40.5000114.3L201 T202 L248 I249 N250 R313L201-F252 HydrophobicContact CB-CD2 4.04Å; L201-F252 HydrophobicContact CB-CE2 3.77Å; L201-F252 HydrophobicContact CD1-CE2 4.11Å; T202-F252 HydrophobicContact CG2-CB 3.86Å; T202-F252 HydrophobicContact CG2-CD1 4.02Å; T202-F252 HydrophobicContact CG2-CD2 3.59Å; T202-F252 HydrophobicContact CG2-CE2 4.13Å; T202-F252 HydrophobicContact CG2-CG 3.54Å; L248-F252 VanDerWaalsContact C-CE2 3.49Å; L248-F252 HydrophobicContact CB-CE2 4.08Å; L248-F252 HydrophobicContact CB-CZ 4.26Å; L248-F252 HydrophobicContact CD2-CZ 4.22Å; L248-F252 WeakPolarHBondContact O-CD2 3.4Å; L248-F252 WeakPolarHBondContact O-CE2 3.45Å; L248-F252 VanDerWaalsContact O-CG 3.24Å; L248-F252 WeakPolarHBondContact O-CG 3.33Å; L248-F252 WeakPolarHBondContact O-CZ 3.47Å; L248-F252 PolarHBondContact O-N 3.41Å; I249-F252 WeakPolarHBondContact O-CA 3.32Å; I249-F252 WeakPolarHBondContact O-CB 3.43Å; I249-F252 PolarHBondContact O-N 3.28Å; N250-F252 PolarHBondContact O-N 3.47Å; F252-R313 VanDerWaalsContact CD1-CD 3.46Å; F252-R313 HydrophobicContact CD1-CG 3.59Å; F252-R313 HydrophobicContact CE1-CB 3.88Å; F252-R313 HydrophobicContact CE1-CG 3.31Å; F252-R313 HydrophobicContact CZ-CG 4.44Å
253L66.1Low70.4Confident57 Ų5768 Ų6830%0.29836%0.359SS..Hα-helixtrans-87.2-6177.5-69.2177.7000113.1K210 I249 N250 P255K210-L253 HydrophobicContact CB-CD2 4.19Å; K210-L253 HydrophobicContact CD-CD2 3.73Å; I249-L253 HydrophobicContact CG2-CD1 4Å; I249-L253 HydrophobicContact CG2-CG 4.34Å; I249-L253 PolarHBondContact O-N 3.01Å; I249-L253 VanDerWaalsContact O-N 3.14Å; N250-L253 PolarHBondContact O-N 3.27Å; L253-P255 VanDerWaalsContact O-CD 3.31Å; L253-P255 WeakPolarHBondContact O-CD 3.2Å
254D62.9Low69.9Low60 Ų6068.1 Ų68.132%0.32136%0.362SS..  trans-58.3118.3179.5-174.1-15.4000111Q256 T257D254-Q256 PolarHBondContact O-N 3.09Å; D254-Q256 VanDerWaalsContact O-N 3.08Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.26Å; D254-Q256 PolarHBondContact OD1-N 2.92Å; D254-T257 HydrophobicContact CB-CG2 4.09Å; D254-T257 WeakPolarHBondContact O-CB 3.41Å; D254-T257 PolarHBondContact O-N 2.9Å; D254-T257 PolarHBondContact O-OG1 3.2Å
255P55.8Low69.9Low102 Ų10272.1 Ų72.166%0.66238%0.381SS*.G310 helixtrans-53.5-28.6177.3-25.333.8000114.2L253 T257 S258L253-P255 VanDerWaalsContact O-CD 3.31Å; L253-P255 WeakPolarHBondContact O-CD 3.2Å; P255-T257 PolarHBondContact O-N 2.99Å; P255-S258 PolarHBondContact O-N 3.25Å; P255-S258 VanDerWaalsContact O-N 3.15Å; P255-S258 PolarHBondContact O-OG 3.19Å
256Q55.3Low70.1Confident181 Ų18176.1 Ų76.185%0.84641%0.409SS*.G310 helixtrans-66.9-14.9176.7-61.2-154.116.500113.4D254D254-Q256 PolarHBondContact O-N 3.09Å; D254-Q256 VanDerWaalsContact O-N 3.08Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.26Å; D254-Q256 PolarHBondContact OD1-N 2.92Å
257T55.9Low70.5Confident27 Ų2774.7 Ų74.717%0.16640%0.402CS..G310 helixtrans-93.1-3.8176.767.60000113.7D254 P255 T259 L309 Y312D254-T257 HydrophobicContact CB-CG2 4.09Å; D254-T257 WeakPolarHBondContact O-CB 3.41Å; D254-T257 PolarHBondContact O-N 2.9Å; D254-T257 PolarHBondContact O-OG1 3.2Å; P255-T257 PolarHBondContact O-N 2.99Å; T257-T259 PolarHBondContact O-N 2.62Å; T257-L309 HydrophobicContact CG2-CD1 3.97Å; T257-Y312 HydrophobicContact CG2-CD1 4.42Å; T257-Y312 HydrophobicContact CG2-CE1 4.34Å
258S53.5Low71Confident85 Ų8571.7 Ų71.759%0.59440%0.398SS*.  trans-85.9106.4-177.7700000112.1P255P255-S258 PolarHBondContact O-N 3.25Å; P255-S258 VanDerWaalsContact O-N 3.15Å; P255-S258 PolarHBondContact O-OG 3.19Å
259T52.9Low71.5Confident75 Ų7573.5 Ų73.546%0.4641%0.407SS..  trans-98.8125.2165.347.20000109.5T257 F261T257-T259 PolarHBondContact O-N 2.62Å; T259-F261 PolarHBondContact O-N 3.42Å; T259-F261 VanDerWaalsContact O-N 3.15Å
260P53.7Low72.4Confident119 Ų11978.9 Ų78.977%0.77343%0.432SS*.SBendtrans-68.9-10.9-179.224.1-31.3000114
261F57Low73.4Confident161 Ų16178.1 Ų78.171%0.70643%0.425SS*.SBendtrans-118.1120.3178.7-63.3-76.9000110.8T259 T263T259-F261 PolarHBondContact O-N 3.42Å; T259-F261 VanDerWaalsContact O-N 3.15Å; F261-T263 PolarHBondContact O-N 2.59Å
262K63.2Low74.6Confident120 Ų12077.6 Ų77.652%0.52242%0.421SS..  trans-63.7104.7167.5-70.4-169172.8-157.50109.6E305K262-E305 IonicContact NZ-OE2 3.64Å; K262-E305 PolarHBondContact NZ-OE2 3.07Å
263T73.6Confident76Confident68 Ų6880.4 Ų80.442%0.41743%0.433SS..  trans-86.2116.3169.460.60000109.1F261 E306F261-T263 PolarHBondContact O-N 2.59Å; T263-E306 PolarHBondContact O-N 3.46Å
264N82.4Confident77.5Confident76 Ų7680.9 Ų80.941%0.40645%0.445SS..EExtended strand (participates in β ladder)trans-91.1112.8168-70-7.6000108.3E305N264-E305 WeakPolarHBondContact OD1-CG 3.2Å
265Q90.4Very high79.1Confident84 Ų8478.4 Ų78.439%0.39343%0.432SS..EExtended strand (participates in β ladder)trans-107.9128.8179.5-67.2-178.3-12.700110.2K303 V304 K307Q265-K303 CarbonylContact O-C 3.52Å; Q265-K303 VanDerWaalsContact O-CA 3.32Å; Q265-K303 WeakPolarHBondContact O-CA 3.26Å; Q265-V304 PolarHBondContact N-O 3.35Å; Q265-V304 PolarHBondContact O-N 2.84Å; Q265-K307 VanDerWaalsContact OE1-CB 3.22Å
266S94.1Very high81Confident85 Ų8573.5 Ų73.559%0.59440%0.4SS*.EExtended strand (participates in β ladder)trans-73.5134.6169.6-61.10000109.4I302S266-I302 CarbonylContact C-O 3.59Å; S266-I302 VanDerWaalsContact CA-O 3.26Å; S266-I302 WeakPolarHBondContact CA-O 3.19Å
267V95.9Very high83Confident14 Ų1468.8 Ų68.89%0.08539%0.385CS..EExtended strand (participates in β ladder)trans-134.8153.1179.3-58.50000110.5E271 L272 I275 I302 V304 K307V267-E271 WeakPolarHBondContact CA-OE2 3.34Å; V267-E271 HydrophobicContact CB-CB 4.05Å; V267-L272 HydrophobicContact CG2-CB 4.21Å; V267-I275 HydrophobicContact CG1-CD1 4.02Å; V267-I302 HydrophobicContact CG2-CB 4.04Å; V267-I302 HydrophobicContact CG2-CG2 3.68Å; V267-I302 PolarHBondContact N-O 2.97Å; V267-V304 HydrophobicContact CG1-CG2 4.38Å; V267-V304 HydrophobicContact CG2-CG2 3.7Å; V267-K307 HydrophobicContact CG1-CD 4.42Å
268S96.3Very high84.9Confident46 Ų4668.6 Ų68.632%0.32238%0.384SS..  trans-73.2165.3164.958.70000111.4E270 E271 L272S268-E270 VanDerWaalsContact C-N 3.28Å; S268-E270 PolarHBondContact O-N 2.77Å; S268-E271 PolarHBondContact N-OE2 2.91Å; S268-E271 PolarHBondContact O-N 3.32Å; S268-E271 WeakPolarHBondContact OG-CB 3.04Å; S268-E271 WeakPolarHBondContact OG-CG 3.46Å; S268-E271 PolarHBondContact OG-N 3.38Å; S268-E271 VanDerWaalsContact OG-N 3.14Å; S268-E271 PolarHBondContact OG-OE2 3.19Å; S268-L272 PolarHBondContact O-N 3.14Å
269I96.4Very high87.1Confident38 Ų3864.7 Ų64.720%0.19536%0.357CS..Hα-helixtrans-66.4-33.9175.6-175.361.2000111.1L272 K273 W281 F285 I302I269-L272 HydrophobicContact CD1-CD2 4.28Å; I269-L272 PolarHBondContact O-N 2.9Å; I269-K273 VanDerWaalsContact O-CG 3.31Å; I269-K273 WeakPolarHBondContact O-CG 3.5Å; I269-K273 PolarHBondContact O-N 3.15Å; I269-W281 HydrophobicContact CD1-CB 3.83Å; I269-F285 HydrophobicContact CD1-CD2 4.34Å; I269-F285 HydrophobicContact CD1-CE2 3.93Å; I269-I302 HydrophobicContact CB-CD1 4.16Å; I269-I302 HydrophobicContact CD1-CD1 3.99Å
270E97.3Very high89.2Confident126 Ų12664.9 Ų64.959%0.58936%0.355SS*.Hα-helixtrans-65.9-43.6174.9-64.971.6-15700111.4S268 L272 K273 A274S268-E270 VanDerWaalsContact C-N 3.28Å; S268-E270 PolarHBondContact O-N 2.77Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.07Å; E270-K273 PolarHBondContact O-N 3.48Å; E270-A274 PolarHBondContact O-N 3.37Å
271E97.4Very high91.2Very high88 Ų8859.2 Ų59.241%0.41132%0.318SS..Hα-helixtrans-64.2-38.3173.2-75.2169.6131.700111.7V267 S268 A274 I275V267-E271 WeakPolarHBondContact CA-OE2 3.34Å; V267-E271 HydrophobicContact CB-CB 4.05Å; S268-E271 PolarHBondContact N-OE2 2.91Å; S268-E271 PolarHBondContact O-N 3.32Å; S268-E271 WeakPolarHBondContact OG-CB 3.04Å; S268-E271 WeakPolarHBondContact OG-CG 3.46Å; S268-E271 PolarHBondContact OG-N 3.38Å; S268-E271 VanDerWaalsContact OG-N 3.14Å; S268-E271 PolarHBondContact OG-OE2 3.19Å; E271-A274 PolarHBondContact O-N 2.86Å; E271-I275 WeakPolarHBondContact O-CD1 3.3Å; E271-I275 WeakPolarHBondContact O-CG1 3.33Å; E271-I275 PolarHBondContact O-N 2.84Å
272L97.8Very high93.1Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-63-43.5176.2-176.564000111.9I196 V267 S268 I269 E270 A274 I275 C276 W281 F285 I302 V304 F310I196-L272 HydrophobicContact CG1-CD1 4.41Å; V267-L272 HydrophobicContact CG2-CB 4.21Å; S268-L272 PolarHBondContact O-N 3.14Å; I269-L272 HydrophobicContact CD1-CD2 4.28Å; I269-L272 PolarHBondContact O-N 2.9Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.07Å; L272-A274 VanDerWaalsContact C-N 3.28Å; L272-A274 PolarHBondContact O-N 2.97Å; L272-I275 PolarHBondContact O-N 3.04Å; L272-C276 PolarHBondContact O-N 2.84Å; L272-W281 HydrophobicContact CD1-CD2 4.4Å; L272-W281 HydrophobicContact CD1-CH2 4.19Å; L272-W281 HydrophobicContact CD1-CZ2 3.81Å; L272-W281 HydrophobicContact CD2-CB 4.36Å; L272-W281 HydrophobicContact CD2-CD2 3.4Å; L272-W281 VanDerWaalsContact CD2-CD2 3.4Å; L272-W281 HydrophobicContact CD2-CE3 3.55Å; L272-W281 HydrophobicContact CD2-CG 3.78Å; L272-W281 HydrophobicContact CD2-CH2 4.36Å; L272-W281 HydrophobicContact CD2-CZ2 4.26Å; L272-W281 HydrophobicContact CD2-CZ3 4.04Å; L272-W281 HydrophobicContact CG-CD2 3.68Å; L272-W281 HydrophobicContact CG-CE3 4.24Å; L272-W281 HydrophobicContact CG-CG 3.96Å; L272-W281 HydrophobicContact CG-CH2 4.49Å; L272-W281 HydrophobicContact CG-CZ2 3.97Å; L272-W281 PolarHBondContact O-NE1 3Å; L272-F285 HydrophobicContact CD2-CE2 4.16Å; L272-F285 HydrophobicContact CD2-CZ 3.76Å; L272-I302 HydrophobicContact CD2-CD1 4.14Å; L272-I302 HydrophobicContact CD2-CG2 4.03Å; L272-V304 HydrophobicContact CD1-CG2 3.89Å; L272-F310 HydrophobicContact CD1-CE1 4.19Å
273K98Very high94.6Very high76 Ų7653 Ų5333%0.3329%0.293SS..Hα-helixtrans-59.6-39.1172.7-72.3169.2177.5176.90111.7I269 E270 C276 P277 D282I269-K273 VanDerWaalsContact O-CG 3.31Å; I269-K273 WeakPolarHBondContact O-CG 3.5Å; I269-K273 PolarHBondContact O-N 3.15Å; E270-K273 PolarHBondContact O-N 3.48Å; K273-C276 CarbonylContact O-C 3.59Å; K273-C276 VanDerWaalsContact O-C 3.31Å; K273-P277 VanDerWaalsContact O-CA 3.23Å; K273-P277 WeakPolarHBondContact O-CA 3.36Å; K273-P277 VanDerWaalsContact O-N 3.1Å; K273-D282 WeakPolarHBondContact CE-OD2 3.26Å; K273-D282 IonicContact NZ-OD1 3.68Å; K273-D282 IonicContact NZ-OD2 2.63Å; K273-D282 PolarHBondContact NZ-OD2 3.02Å
274A97.5Very high95.7Very high68 Ų6849.8 Ų49.856%0.56227%0.273SS*.Hα-helixtrans-70.8-34.4175.600000113.2E270 E271 L272E270-A274 PolarHBondContact O-N 3.37Å; E271-A274 PolarHBondContact O-N 2.86Å; L272-A274 VanDerWaalsContact C-N 3.28Å; L272-A274 PolarHBondContact O-N 2.97Å
275I96.4Very high96.4Very high7 Ų746.5 Ų46.54%0.03626%0.255CS..Hα-helixtrans-66.6-39.5176.9-71.2158.1000111.1V267 E271 L272 K307 F310 Q311V267-I275 HydrophobicContact CG1-CD1 4.02Å; E271-I275 WeakPolarHBondContact O-CD1 3.3Å; E271-I275 WeakPolarHBondContact O-CG1 3.33Å; E271-I275 PolarHBondContact O-N 2.84Å; L272-I275 PolarHBondContact O-N 3.04Å; I275-K307 HydrophobicContact CD1-CD 3.85Å; I275-K307 VanDerWaalsContact CD1-CE 3.46Å; I275-K307 HydrophobicContact CD1-CG 3.8Å; I275-K307 HydrophobicContact CG1-CD 4.35Å; I275-K307 HydrophobicContact CG1-CG 4.14Å; I275-F310 HydrophobicContact CG2-CD1 3.51Å; I275-F310 HydrophobicContact CG2-CE1 3.87Å; I275-Q311 HydrophobicContact CG2-CB 4.05Å
276C97.2Very high96.5Very high0 Ų045.6 Ų45.60%025%0.253CS..  trans-140.780.8-180-170.80000111.3L272 K273 P278 I279 W281 F310 C314L272-C276 PolarHBondContact O-N 2.84Å; K273-C276 CarbonylContact O-C 3.59Å; K273-C276 VanDerWaalsContact O-C 3.31Å; C276-P278 VanDerWaalsContact C-CD 3.42Å; C276-I279 PolarHBondContact O-N 3.22Å; C276-I279 VanDerWaalsContact SG-CG1 3.53Å; C276-W281 HydrophobicContact CB-CZ2 3.94Å; C276-W281 PolarHBondContact O-NE1 3.17Å; C276-F310 HydrophobicContact CB-CE1 3.95Å; C276-F310 HydrophobicContact CB-CZ 3.94Å; C276-C314 WeakPolarHBondContact CA-SG 3.27Å; C276-C314 HydrophobicContact CB-CB 3.67Å; C276-C314 WeakPolarHBondContact CB-SG 3.48Å; C276-C314 WeakPolarHBondContact SG-CB 3.47Å; C276-C314 CovalentContact SG-SG 2.03Å; C276-C314 PolarHBondContact SG-SG 3.18Å
277P97.2Very high96.5Very high81 Ų8146 Ų4653%0.52624%0.244SC..THydrogen-bonded Turntrans-60.1-35.3-178.1-24.135.1000117.2K273 I279K273-P277 VanDerWaalsContact O-CA 3.23Å; K273-P277 WeakPolarHBondContact O-CA 3.36Å; K273-P277 VanDerWaalsContact O-N 3.1Å; P277-I279 PolarHBondContact O-N 3.28Å
278P96Very high96.5Very high23 Ų2345.5 Ų45.515%0.14924%0.241CC..THydrogen-bonded Turntrans-71.4-8.3-177.829.4-38.2000114L166 C276 C314 Q318 L321L166-P278 HydrophobicContact CB-CB 4.14Å; L166-P278 HydrophobicContact CD2-CB 3.93Å; L166-P278 HydrophobicContact CD2-CG 3.78Å; C276-P278 VanDerWaalsContact C-CD 3.42Å; P278-C314 VanDerWaalsContact CD-SG 3.59Å; P278-C314 VanDerWaalsContact CG-SG 3.54Å; P278-Q318 HydrophobicContact CB-CG 4.45Å; P278-Q318 HydrophobicContact CG-CB 4.04Å; P278-Q318 HydrophobicContact CG-CG 4.29Å; P278-L321 HydrophobicContact CB-CD1 3.85Å
279I97.7Very high96.3Very high4 Ų443.3 Ų43.32%0.02123%0.225CC..SBendtrans-96.8119.7174.5-59.5-64.3000109.2L166 L182 F183 C276 P277 W281 L284L166-I279 HydrophobicContact CB-CD1 4.06Å; L166-I279 HydrophobicContact CD2-CD1 3.73Å; L166-I279 HydrophobicContact CD2-CG1 4.29Å; L166-I279 HydrophobicContact CG-CD1 3.66Å; L182-I279 HydrophobicContact CD2-CD1 4.44Å; L182-I279 HydrophobicContact CD2-CG1 4.39Å; F183-I279 HydrophobicContact CE1-CD1 4.23Å; F183-I279 HydrophobicContact CE1-CG1 4.43Å; C276-I279 PolarHBondContact O-N 3.22Å; C276-I279 VanDerWaalsContact SG-CG1 3.53Å; P277-I279 PolarHBondContact O-N 3.28Å; I279-W281 VanDerWaalsContact C-N 3.34Å; I279-W281 HydrophobicContact CB-CD2 4.33Å; I279-W281 HydrophobicContact CB-CZ2 4.1Å; I279-W281 HydrophobicContact CG1-CZ2 4.44Å; I279-W281 HydrophobicContact CG2-CD2 3.65Å; I279-W281 HydrophobicContact CG2-CE3 3.95Å; I279-W281 HydrophobicContact CG2-CG 4.08Å; I279-W281 HydrophobicContact CG2-CH2 4.27Å; I279-W281 HydrophobicContact CG2-CZ2 3.97Å; I279-W281 HydrophobicContact CG2-CZ3 4.25Å; I279-W281 PolarHBondContact O-N 3.12Å; I279-L284 HydrophobicContact CG2-CD2 4.05Å
280D97.3Very high96Very high79 Ų7945.8 Ų45.842%0.42224%0.239SC..  trans-75.790.1165.5-173.9-18.8000108.5T167 D282 Y283 L284T167-D280 HydrophobicContact CG2-CB 4.29Å; T167-D280 PolarHBondContact OG1-N 3.14Å; D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 2.91Å; D280-D282 PolarHBondContact OD1-N 2.99Å; D280-Y283 PolarHBondContact O-N 3.44Å; D280-Y283 WeakPolarHBondContact OD1-CB 3.37Å; D280-Y283 PolarHBondContact OD1-N 2.83Å; D280-Y283 WeakPolarHBondContact OD2-CB 3.03Å; D280-L284 VanDerWaalsContact O-CB 3.3Å; D280-L284 WeakPolarHBondContact O-CB 3.3Å; D280-L284 PolarHBondContact O-N 3.42Å
281W97.4Very high95.5Very high0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-64.1-34.7-176.5-69.4100.4000113.3F183 I196 I269 L272 C276 I279 L284 F285 F310F183-W281 HydrophobicContact CD2-CH2 4.31Å; F183-W281 HydrophobicContact CE1-CH2 4.38Å; F183-W281 HydrophobicContact CE2-CH2 4.06Å; F183-W281 AromaticContact CE2-CZ3 3.93Å; F183-W281 HydrophobicContact CE2-CZ3 3.93Å; F183-W281 HydrophobicContact CZ-CH2 4.11Å; F183-W281 HydrophobicContact CZ-CZ3 4.1Å; I196-W281 HydrophobicContact CD1-CH2 4.14Å; I196-W281 HydrophobicContact CD1-CZ3 3.68Å; I196-W281 HydrophobicContact CG1-CH2 4.32Å; I196-W281 HydrophobicContact CG1-CZ3 4.24Å; I196-W281 HydrophobicContact CG2-CH2 4.21Å; I269-W281 HydrophobicContact CD1-CB 3.83Å; L272-W281 HydrophobicContact CD1-CD2 4.4Å; L272-W281 HydrophobicContact CD1-CH2 4.19Å; L272-W281 HydrophobicContact CD1-CZ2 3.81Å; L272-W281 HydrophobicContact CD2-CB 4.36Å; L272-W281 HydrophobicContact CD2-CD2 3.4Å; L272-W281 VanDerWaalsContact CD2-CD2 3.4Å; L272-W281 HydrophobicContact CD2-CE3 3.55Å; L272-W281 HydrophobicContact CD2-CG 3.78Å; L272-W281 HydrophobicContact CD2-CH2 4.36Å; L272-W281 HydrophobicContact CD2-CZ2 4.26Å; L272-W281 HydrophobicContact CD2-CZ3 4.04Å; L272-W281 HydrophobicContact CG-CD2 3.68Å; L272-W281 HydrophobicContact CG-CE3 4.24Å; L272-W281 HydrophobicContact CG-CG 3.96Å; L272-W281 HydrophobicContact CG-CH2 4.49Å; L272-W281 HydrophobicContact CG-CZ2 3.97Å; L272-W281 PolarHBondContact O-NE1 3Å; C276-W281 HydrophobicContact CB-CZ2 3.94Å; C276-W281 PolarHBondContact O-NE1 3.17Å; I279-W281 VanDerWaalsContact C-N 3.34Å; I279-W281 HydrophobicContact CB-CD2 4.33Å; I279-W281 HydrophobicContact CB-CZ2 4.1Å; I279-W281 HydrophobicContact CG1-CZ2 4.44Å; I279-W281 HydrophobicContact CG2-CD2 3.65Å; I279-W281 HydrophobicContact CG2-CE3 3.95Å; I279-W281 HydrophobicContact CG2-CG 4.08Å; I279-W281 HydrophobicContact CG2-CH2 4.27Å; I279-W281 HydrophobicContact CG2-CZ2 3.97Å; I279-W281 HydrophobicContact CG2-CZ3 4.25Å; I279-W281 PolarHBondContact O-N 3.12Å; W281-L284 HydrophobicContact CE3-CD2 3.96Å; W281-L284 HydrophobicContact CZ3-CD2 3.93Å; W281-F285 HydrophobicContact CE3-CD1 4.42Å; W281-F285 AromaticContact CE3-CE1 3.62Å; W281-F285 HydrophobicContact CE3-CE1 3.62Å; W281-F285 AromaticContact CE3-CZ 3.71Å; W281-F285 HydrophobicContact CE3-CZ 3.71Å; W281-F285 HydrophobicContact CZ3-CE1 4.02Å; W281-F285 HydrophobicContact CZ3-CZ 4.26Å; W281-F285 WeakPolarHBondContact O-CB 3.05Å; W281-F285 WeakPolarHBondContact O-CD2 3.46Å; W281-F285 WeakPolarHBondContact O-CG 3.34Å; W281-F285 PolarHBondContact O-N 3.36Å; W281-F310 HydrophobicContact CH2-CE1 4.15Å; W281-F310 AromaticContact CH2-CZ 3.76Å; W281-F310 HydrophobicContact CH2-CZ 3.76Å; W281-F310 AromaticContact CZ2-CE1 3.88Å; W281-F310 HydrophobicContact CZ2-CE1 3.88Å; W281-F310 AromaticContact CZ2-CZ 3.67Å; W281-F310 HydrophobicContact CZ2-CZ 3.67Å
282D95.3Very high95Very high70 Ų7038.3 Ų38.337%0.37420%0.204SC..Hα-helixtrans-67.6-49.5179.3-63.9-38.6000109.3K273 D280 L284 F285 D286K273-D282 WeakPolarHBondContact CE-OD2 3.26Å; K273-D282 IonicContact NZ-OD1 3.68Å; K273-D282 IonicContact NZ-OD2 2.63Å; K273-D282 PolarHBondContact NZ-OD2 3.02Å; D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 2.91Å; D280-D282 PolarHBondContact OD1-N 2.99Å; D282-L284 PolarHBondContact O-N 2.6Å; D282-F285 PolarHBondContact O-N 3.49Å; D282-D286 WeakPolarHBondContact O-CB 3.13Å; D282-D286 PolarHBondContact O-N 3.49Å
283Y95.4Very high94.3Very high79 Ų7941.1 Ų41.131%0.3123%0.234SC..Hα-helixtrans-60.8-44.4177177.9-127.4000112.5T167 D168 I171 D280 D286 K287T167-Y283 HydrophobicContact CG2-CD1 3.88Å; D168-Y283 WeakPolarHBondContact OD1-CE1 3.12Å; I171-Y283 HydrophobicContact CD1-CD1 3.73Å; I171-Y283 HydrophobicContact CD1-CE1 3.21Å; D280-Y283 PolarHBondContact O-N 3.44Å; D280-Y283 WeakPolarHBondContact OD1-CB 3.37Å; D280-Y283 PolarHBondContact OD1-N 2.83Å; D280-Y283 WeakPolarHBondContact OD2-CB 3.03Å; Y283-D286 PolarHBondContact O-N 3.31Å; Y283-K287 HydrophobicContact CD2-CG 4.2Å; Y283-K287 HydrophobicContact CE2-CD 4.2Å; Y283-K287 HydrophobicContact CE2-CG 3.87Å; Y283-K287 WeakPolarHBondContact O-CG 3.28Å; Y283-K287 PolarHBondContact O-N 3.23Å; Y283-K287 WeakPolarHBondContact OH-CE 3.45Å
284L96.7Very high93.6Very high2 Ų240 Ų401%0.0123%0.229CC..Hα-helixtrans-61.2-49.7176.7178.568.8000111.7T167 I171 I174 F183 I279 D280 W281 D282 D286 K287 V288T167-L284 HydrophobicContact CG2-CB 3.9Å; T167-L284 HydrophobicContact CG2-CD1 4.48Å; I171-L284 HydrophobicContact CG1-CD1 3.84Å; I174-L284 HydrophobicContact CB-CD1 4.32Å; I174-L284 HydrophobicContact CG2-CD1 4.07Å; F183-L284 HydrophobicContact CE2-CD2 3.95Å; F183-L284 HydrophobicContact CZ-CD2 3.5Å; I279-L284 HydrophobicContact CG2-CD2 4.05Å; D280-L284 VanDerWaalsContact O-CB 3.3Å; D280-L284 WeakPolarHBondContact O-CB 3.3Å; D280-L284 PolarHBondContact O-N 3.42Å; W281-L284 HydrophobicContact CE3-CD2 3.96Å; W281-L284 HydrophobicContact CZ3-CD2 3.93Å; D282-L284 PolarHBondContact O-N 2.6Å; L284-D286 VanDerWaalsContact C-N 3.33Å; L284-D286 PolarHBondContact O-N 3.28Å; L284-K287 PolarHBondContact O-N 3.05Å; L284-V288 HydrophobicContact CD1-CG2 4.24Å; L284-V288 WeakPolarHBondContact O-CG2 3.45Å; L284-V288 PolarHBondContact O-N 2.95Å
285F96.1Very high92.8Very high7 Ų746.9 Ų46.93%0.03124%0.24CC..Hα-helixtrans-63-40.9-179.7-73.3-8000111.2L185 I194 I196 I269 L272 W281 D282 K287 V288 F289 Y297 I302L185-F285 HydrophobicContact CD1-CD1 4.49Å; L185-F285 HydrophobicContact CD1-CE1 3.86Å; L185-F285 HydrophobicContact CD2-CD1 4.36Å; L185-F285 HydrophobicContact CD2-CE1 4.42Å; I194-F285 HydrophobicContact CD1-CD2 4.32Å; I194-F285 HydrophobicContact CD1-CE2 4.11Å; I194-F285 HydrophobicContact CD1-CZ 4.43Å; I194-F285 HydrophobicContact CG2-CE1 4.11Å; I194-F285 HydrophobicContact CG2-CZ 3.89Å; I196-F285 HydrophobicContact CD1-CE1 4.32Å; I196-F285 HydrophobicContact CD1-CZ 4.43Å; I269-F285 HydrophobicContact CD1-CD2 4.34Å; I269-F285 HydrophobicContact CD1-CE2 3.93Å; L272-F285 HydrophobicContact CD2-CE2 4.16Å; L272-F285 HydrophobicContact CD2-CZ 3.76Å; W281-F285 HydrophobicContact CE3-CD1 4.42Å; W281-F285 AromaticContact CE3-CE1 3.62Å; W281-F285 HydrophobicContact CE3-CE1 3.62Å; W281-F285 AromaticContact CE3-CZ 3.71Å; W281-F285 HydrophobicContact CE3-CZ 3.71Å; W281-F285 HydrophobicContact CZ3-CE1 4.02Å; W281-F285 HydrophobicContact CZ3-CZ 4.26Å; W281-F285 WeakPolarHBondContact O-CB 3.05Å; W281-F285 WeakPolarHBondContact O-CD2 3.46Å; W281-F285 WeakPolarHBondContact O-CG 3.34Å; W281-F285 PolarHBondContact O-N 3.36Å; D282-F285 PolarHBondContact O-N 3.49Å; F285-K287 PolarHBondContact O-N 3.29Å; F285-V288 PolarHBondContact O-N 2.67Å; F285-F289 HydrophobicContact CB-CD2 3.87Å; F285-F289 HydrophobicContact CB-CE2 4.12Å; F285-F289 HydrophobicContact CD1-CD2 4.46Å; F285-F289 AromaticContact CD1-CE2 3.89Å; F285-F289 HydrophobicContact CD1-CE2 3.89Å; F285-F289 HydrophobicContact CE1-CE2 4.49Å; F285-F289 HydrophobicContact CG-CD2 4.26Å; F285-F289 AromaticContact CG-CE2 3.98Å; F285-F289 HydrophobicContact CG-CE2 3.98Å; F285-F289 WeakPolarHBondContact O-CB 3.33Å; F285-F289 VanDerWaalsContact O-CD2 3.26Å; F285-F289 WeakPolarHBondContact O-CD2 3.35Å; F285-F289 PolarHBondContact O-N 2.68Å; F285-Y297 HydrophobicContact CB-CD2 4.13Å; F285-Y297 HydrophobicContact CB-CE2 3.69Å; F285-I302 HydrophobicContact CE2-CD1 4.02Å
286D94.2Very high92.3Very high65 Ų6550.2 Ų50.235%0.34826%0.258SS..Hα-helixtrans-57-49.6171.6-93.1-32.1000111.5D282 Y283 L284 V288 N290 Y297D282-D286 WeakPolarHBondContact O-CB 3.13Å; D282-D286 PolarHBondContact O-N 3.49Å; Y283-D286 PolarHBondContact O-N 3.31Å; L284-D286 VanDerWaalsContact C-N 3.33Å; L284-D286 PolarHBondContact O-N 3.28Å; D286-V288 VanDerWaalsContact C-N 3.32Å; D286-V288 PolarHBondContact O-N 3.3Å; D286-N290 WeakPolarHBondContact O-CB 3.38Å; D286-N290 PolarHBondContact O-N 3.09Å; D286-N290 PolarHBondContact O-ND2 3.3Å; D286-N290 PolarHBondContact OD1-ND2 2.96Å; D286-Y297 PolarHBondContact OD1-OH 2.86Å
287K93.3Very high91.9Very high94 Ų9451.5 Ų51.541%0.40926%0.263SS..Hα-helixtrans-63.2-35.9-178.5-73.2-69-179.3-179.80113.3I171 Y283 L284 F285 Q291I171-K287 HydrophobicContact CD1-CG 4.18Å; Y283-K287 HydrophobicContact CD2-CG 4.2Å; Y283-K287 HydrophobicContact CE2-CD 4.2Å; Y283-K287 HydrophobicContact CE2-CG 3.87Å; Y283-K287 WeakPolarHBondContact O-CG 3.28Å; Y283-K287 PolarHBondContact O-N 3.23Å; Y283-K287 WeakPolarHBondContact OH-CE 3.45Å; L284-K287 PolarHBondContact O-N 3.05Å; F285-K287 PolarHBondContact O-N 3.29Å; K287-Q291 WeakPolarHBondContact O-CG 3.5Å; K287-Q291 PolarHBondContact O-NE2 2.78Å
288V95.2Very high91.6Very high2 Ų253.5 Ų53.51%0.01227%0.265CS..Hα-helixtrans-83-52.1-178.6175.80000111.3I174 L185 L284 F285 D286 Q291 Y478 L482I174-V288 HydrophobicContact CG2-CG2 3.8Å; L185-V288 HydrophobicContact CD2-CB 4.04Å; L185-V288 HydrophobicContact CD2-CG1 3.8Å; L185-V288 HydrophobicContact CD2-CG2 3.9Å; L284-V288 HydrophobicContact CD1-CG2 4.24Å; L284-V288 WeakPolarHBondContact O-CG2 3.45Å; L284-V288 PolarHBondContact O-N 2.95Å; F285-V288 PolarHBondContact O-N 2.67Å; D286-V288 VanDerWaalsContact C-N 3.32Å; D286-V288 PolarHBondContact O-N 3.3Å; V288-Q291 WeakPolarHBondContact O-CB 3.18Å; V288-Q291 PolarHBondContact O-N 3.34Å; V288-Y478 HydrophobicContact CG1-CE1 4.03Å; V288-L482 HydrophobicContact CG1-CD1 3.57Å
289F93.5Very high91.3Very high0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-76.8-26.9-173-67-62.9000113.4L185 I187 I194 F285 Q291 T292 G293 Y297 L482 I486L185-F289 HydrophobicContact CD1-CZ 4.45Å; I187-F289 HydrophobicContact CD1-CE1 3.79Å; I187-F289 HydrophobicContact CD1-CZ 4.06Å; I187-F289 HydrophobicContact CG1-CE1 4.3Å; I194-F289 HydrophobicContact CD1-CE2 3.71Å; I194-F289 HydrophobicContact CD1-CZ 3.95Å; I194-F289 HydrophobicContact CG1-CE2 4.11Å; I194-F289 HydrophobicContact CG1-CZ 3.81Å; I194-F289 HydrophobicContact CG2-CZ 4.24Å; F285-F289 HydrophobicContact CB-CD2 3.87Å; F285-F289 HydrophobicContact CB-CE2 4.12Å; F285-F289 HydrophobicContact CD1-CD2 4.46Å; F285-F289 AromaticContact CD1-CE2 3.89Å; F285-F289 HydrophobicContact CD1-CE2 3.89Å; F285-F289 HydrophobicContact CE1-CE2 4.49Å; F285-F289 HydrophobicContact CG-CD2 4.26Å; F285-F289 AromaticContact CG-CE2 3.98Å; F285-F289 HydrophobicContact CG-CE2 3.98Å; F285-F289 WeakPolarHBondContact O-CB 3.33Å; F285-F289 VanDerWaalsContact O-CD2 3.26Å; F285-F289 WeakPolarHBondContact O-CD2 3.35Å; F285-F289 PolarHBondContact O-N 2.68Å; F289-Q291 PolarHBondContact O-N 2.93Å; F289-T292 HydrophobicContact CD1-CG2 4.47Å; F289-T292 WeakPolarHBondContact O-CB 3.28Å; F289-T292 PolarHBondContact O-N 3.47Å; F289-T292 PolarHBondContact O-OG1 2.9Å; F289-G293 PolarHBondContact O-N 3.15Å; F289-Y297 HydrophobicContact CB-CD1 3.54Å; F289-Y297 HydrophobicContact CB-CD2 4.38Å; F289-Y297 HydrophobicContact CB-CE1 4.22Å; F289-Y297 HydrophobicContact CB-CG 3.65Å; F289-Y297 HydrophobicContact CD2-CD1 4.4Å; F289-Y297 AromaticContact CD2-CD2 3.7Å; F289-Y297 HydrophobicContact CD2-CD2 3.7Å; F289-Y297 HydrophobicContact CD2-CE2 4.42Å; F289-Y297 AromaticContact CD2-CG 3.72Å; F289-Y297 HydrophobicContact CD2-CG 3.72Å; F289-Y297 HydrophobicContact CE2-CD2 4.41Å; F289-Y297 HydrophobicContact CG-CD1 4.25Å; F289-Y297 HydrophobicContact CG-CD2 4.3Å; F289-Y297 AromaticContact CG-CG 3.83Å; F289-Y297 HydrophobicContact CG-CG 3.83Å; F289-L482 HydrophobicContact CE1-CD1 4.29Å; F289-I486 HydrophobicContact CD1-CD1 4.03Å; F289-I486 HydrophobicContact CE1-CD1 4.15Å
290N89.8Confident91Very high90 Ų9060.6 Ų60.648%0.48130%0.295SS..Hα-helixtrans-62.4-31.3173.2-73.6-37.1000112.1D286 T292 G293D286-N290 WeakPolarHBondContact O-CB 3.38Å; D286-N290 PolarHBondContact O-N 3.09Å; D286-N290 PolarHBondContact O-ND2 3.3Å; D286-N290 PolarHBondContact OD1-ND2 2.96Å; N290-T292 PolarHBondContact O-N 2.87Å; N290-G293 PolarHBondContact O-N 3.48Å
291Q87Confident90.9Very high54 Ų5459.9 Ų59.925%0.25229%0.294SS..Hα-helixtrans-64.4-25.3174.1-60179.530.300112.5K287 V288 F289 G293 S479 R483K287-Q291 WeakPolarHBondContact O-CG 3.5Å; K287-Q291 PolarHBondContact O-NE2 2.78Å; V288-Q291 WeakPolarHBondContact O-CB 3.18Å; V288-Q291 PolarHBondContact O-N 3.34Å; F289-Q291 PolarHBondContact O-N 2.93Å; Q291-G293 VanDerWaalsContact C-N 3.29Å; Q291-S479 VanDerWaalsContact C-OG 3.28Å; Q291-S479 PolarHBondContact O-OG 3.19Å; Q291-R483 PolarHBondContact O-NH2 3.27Å
292T85.7Confident90.9Very high3 Ų360.4 Ų60.42%0.01830%0.297CS..Hα-helixtrans-80.2-13.9176.478.90000112.2F289 N290 F294 S479 L482 R483F289-T292 HydrophobicContact CD1-CG2 4.47Å; F289-T292 WeakPolarHBondContact O-CB 3.28Å; F289-T292 PolarHBondContact O-N 3.47Å; F289-T292 PolarHBondContact O-OG1 2.9Å; N290-T292 PolarHBondContact O-N 2.87Å; T292-F294 PolarHBondContact O-N 3.24Å; T292-F294 VanDerWaalsContact OG1-CB 3.27Å; T292-F294 WeakPolarHBondContact OG1-CB 3.16Å; T292-F294 PolarHBondContact OG1-N 2.9Å; T292-S479 WeakPolarHBondContact CA-OG 3.39Å; T292-L482 HydrophobicContact CG2-CB 3.71Å; T292-L482 HydrophobicContact CG2-CD1 3.94Å; T292-L482 HydrophobicContact CG2-CG 4.49Å; T292-R483 PolarHBondContact O-NE 3.19Å; T292-R483 PolarHBondContact O-NH2 2.87Å; T292-R483 VanDerWaalsContact O-NH2 3.14Å
293G83.7Confident90.9Very high60 Ų6058.5 Ų58.562%0.61929%0.286SS*.THydrogen-bonded Turntrans727.2-171.400000114.1F289 N290 Q291 R295F289-G293 PolarHBondContact O-N 3.15Å; N290-G293 PolarHBondContact O-N 3.48Å; Q291-G293 VanDerWaalsContact C-N 3.29Å; G293-R295 PolarHBondContact O-N 3.44Å
294F82.5Confident90.8Very high51 Ų5154.8 Ų54.822%0.22427%0.271CS..  trans-88.8103.9179.6-173-113.1000111.3T292 N296 Y297 L300 I486T292-F294 PolarHBondContact O-N 3.24Å; T292-F294 VanDerWaalsContact OG1-CB 3.27Å; T292-F294 WeakPolarHBondContact OG1-CB 3.16Å; T292-F294 PolarHBondContact OG1-N 2.9Å; F294-N296 HydrophobicContact CE1-CB 4.25Å; F294-N296 WeakPolarHBondContact CE1-O 3.4Å; F294-N296 HydrophobicContact CE2-CB 4.35Å; F294-N296 HydrophobicContact CZ-CB 3.91Å; F294-Y297 VanDerWaalsContact CE1-CA 3.46Å; F294-Y297 VanDerWaalsContact CE1-N 3.29Å; F294-Y297 WeakPolarHBondContact O-CD1 3.48Å; F294-L300 HydrophobicContact CD1-CD1 4.49Å; F294-L300 HydrophobicContact CE1-CD1 3.93Å; F294-L300 HydrophobicContact CE1-CD2 4.29Å; F294-L300 HydrophobicContact CE1-CG 4.12Å; F294-I486 HydrophobicContact CB-CD1 4.28Å; F294-I486 HydrophobicContact CD1-CD1 3.94Å; F294-I486 HydrophobicContact CD1-CG2 3.68Å; F294-I486 HydrophobicContact CD2-CG2 3.7Å; F294-I486 HydrophobicContact CE1-CG2 3.52Å; F294-I486 HydrophobicContact CE2-CG2 3.57Å; F294-I486 HydrophobicContact CG-CD1 4.23Å; F294-I486 HydrophobicContact CG-CG2 3.76Å; F294-I486 HydrophobicContact CZ-CG2 3.49Å; F294-I486 VanDerWaalsContact CZ-CG2 3.49Å
295R81.1Confident90.5Very high213 Ų21355.1 Ų55.180%0.80427%0.272SS*.THydrogen-bonded Turntrans-77.3-20.1-176.3-62.8-174.4179.7-174.3-0.9115.1G293 H298G293-R295 PolarHBondContact O-N 3.44Å; R295-H298 PolarHBondContact O-CE1 3.38Å; R295-H298 PolarHBondContact O-ND1 3.23Å
296N86.5Confident89.9Confident78 Ų7855.9 Ų55.942%0.41728%0.276SS..THydrogen-bonded Turntrans-10026.1-173.5-67.4-28000113.2F294 H298 K299F294-N296 HydrophobicContact CE1-CB 4.25Å; F294-N296 WeakPolarHBondContact CE1-O 3.4Å; F294-N296 HydrophobicContact CE2-CB 4.35Å; F294-N296 HydrophobicContact CZ-CB 3.91Å; N296-H298 PolarHBondContact O-N 2.74Å; N296-K299 HydrophobicContact CB-CD 4.37Å; N296-K299 PolarHBondContact O-N 3.39Å; N296-K299 VanDerWaalsContact O-N 3.08Å
297Y88.2Confident89.7Confident26 Ų2655.2 Ų55.210%0.10227%0.27CS..G310 helixtrans-60.8-30.7-177.668.6-97.1000112.6F285 D286 F289 F294 K299 L300F285-Y297 HydrophobicContact CB-CD2 4.13Å; F285-Y297 HydrophobicContact CB-CE2 3.69Å; D286-Y297 PolarHBondContact OD1-OH 2.86Å; F289-Y297 HydrophobicContact CB-CD1 3.54Å; F289-Y297 HydrophobicContact CB-CD2 4.38Å; F289-Y297 HydrophobicContact CB-CE1 4.22Å; F289-Y297 HydrophobicContact CB-CG 3.65Å; F289-Y297 HydrophobicContact CD2-CD1 4.4Å; F289-Y297 AromaticContact CD2-CD2 3.7Å; F289-Y297 HydrophobicContact CD2-CD2 3.7Å; F289-Y297 HydrophobicContact CD2-CE2 4.42Å; F289-Y297 AromaticContact CD2-CG 3.72Å; F289-Y297 HydrophobicContact CD2-CG 3.72Å; F289-Y297 HydrophobicContact CE2-CD2 4.41Å; F289-Y297 HydrophobicContact CG-CD1 4.25Å; F289-Y297 HydrophobicContact CG-CD2 4.3Å; F289-Y297 AromaticContact CG-CG 3.83Å; F289-Y297 HydrophobicContact CG-CG 3.83Å; F294-Y297 VanDerWaalsContact CE1-CA 3.46Å; F294-Y297 VanDerWaalsContact CE1-N 3.29Å; F294-Y297 WeakPolarHBondContact O-CD1 3.48Å; Y297-K299 PolarHBondContact O-N 3.01Å; Y297-K299 VanDerWaalsContact O-N 3.09Å; Y297-L300 VanDerWaalsContact O-CB 3.3Å; Y297-L300 WeakPolarHBondContact O-CB 3.48Å; Y297-L300 WeakPolarHBondContact O-CG 3.4Å; Y297-L300 PolarHBondContact O-N 3.34Å
298H90.4Very high89.3Confident123 Ų12358 Ų5857%0.56928%0.284SS*.G310 helixtrans-60.5-17175.358.2-93.4000114.1R295 N296R295-H298 PolarHBondContact O-CE1 3.38Å; R295-H298 PolarHBondContact O-ND1 3.23Å; N296-H298 PolarHBondContact O-N 2.74Å
299K90.4Very high88.8Confident152 Ų15259 Ų5966%0.66129%0.289SS*.G310 helixtrans-87.1-7.5175.5-57.4-171.1179.7-179.30113.1N296 Y297N296-K299 HydrophobicContact CB-CD 4.37Å; N296-K299 PolarHBondContact O-N 3.39Å; N296-K299 VanDerWaalsContact O-N 3.08Å; Y297-K299 PolarHBondContact O-N 3.01Å; Y297-K299 VanDerWaalsContact O-N 3.09Å
300L92.1Very high88.6Confident25 Ų2559 Ų5913%0.13129%0.289CS..SBendtrans-79.5135.9-179.7-58.6176.8000109.4I187 R192 I194 F294 Y297 I486I187-L300 HydrophobicContact CD1-CD1 4.02Å; R192-L300 WeakPolarHBondContact O-CD2 3.34Å; I194-L300 HydrophobicContact CD1-CB 4.28Å; I194-L300 HydrophobicContact CG1-CB 4.02Å; I194-L300 HydrophobicContact CG1-CD1 4.13Å; F294-L300 HydrophobicContact CD1-CD1 4.49Å; F294-L300 HydrophobicContact CE1-CD1 3.93Å; F294-L300 HydrophobicContact CE1-CD2 4.29Å; F294-L300 HydrophobicContact CE1-CG 4.12Å; Y297-L300 VanDerWaalsContact O-CB 3.3Å; Y297-L300 WeakPolarHBondContact O-CB 3.48Å; Y297-L300 WeakPolarHBondContact O-CG 3.4Å; Y297-L300 PolarHBondContact O-N 3.34Å; L300-I486 HydrophobicContact CD1-CD1 4.42Å; L300-I486 HydrophobicContact CD1-CG1 4.14Å; L300-I486 HydrophobicContact CD1-CG2 4.5Å
301P94.8Very high88.7Confident63 Ų6359 Ų5941%0.40929%0.287SS..  trans-61.7150.5170.425.6-32000110.2A193 I194A193-P301 CarbonylContact C-O 3.58Å; A193-P301 WeakPolarHBondContact CA-O 3.26Å; A193-P301 HydrophobicContact CB-CB 4.4Å; A193-P301 HydrophobicContact CB-CG 3.87Å; A193-P301 WeakPolarHBondContact CB-O 3.36Å; I194-P301 PolarHBondContact N-O 2.86Å
302I96.8Very high88.8Confident12 Ų1261.4 Ų61.46%0.06229%0.294CS..EExtended strand (participates in β ladder)trans-106.2131.4176.4-57.6169.5000108.1I194 S266 V267 I269 L272 F285I194-I302 HydrophobicContact CB-CG1 4.32Å; I194-I302 HydrophobicContact CD1-CG1 4.45Å; I194-I302 CarbonylContact O-C 3.31Å; I194-I302 WeakPolarHBondContact O-CA 3.31Å; S266-I302 CarbonylContact C-O 3.59Å; S266-I302 VanDerWaalsContact CA-O 3.26Å; S266-I302 WeakPolarHBondContact CA-O 3.19Å; V267-I302 HydrophobicContact CG2-CB 4.04Å; V267-I302 HydrophobicContact CG2-CG2 3.68Å; V267-I302 PolarHBondContact N-O 2.97Å; I269-I302 HydrophobicContact CB-CD1 4.16Å; I269-I302 HydrophobicContact CD1-CD1 3.99Å; L272-I302 HydrophobicContact CD2-CD1 4.14Å; L272-I302 HydrophobicContact CD2-CG2 4.03Å; F285-I302 HydrophobicContact CE2-CD1 4.02Å
303K95.2Very high88.8Confident30 Ų3061.3 Ų61.313%0.1329%0.293CS..EExtended strand (participates in β ladder)trans-118.9130.3172.8-71.9-170.6176.3-166.80110.1N191 A193 I194 R195 I196 Q265N191-K303 PolarHBondContact ND2-NZ 2.96Å; N191-K303 PolarHBondContact OD1-NZ 2.6Å; A193-K303 HydrophobicContact CB-CB 4.4Å; A193-K303 HydrophobicContact CB-CD 4.02Å; A193-K303 HydrophobicContact CB-CG 3.86Å; I194-K303 PolarHBondContact O-N 3.03Å; R195-K303 WeakPolarHBondContact CA-O 3.34Å; I196-K303 PolarHBondContact N-O 2.92Å; Q265-K303 CarbonylContact O-C 3.52Å; Q265-K303 VanDerWaalsContact O-CA 3.32Å; Q265-K303 WeakPolarHBondContact O-CA 3.26Å
304V94.2Very high89.3Confident0 Ų058.5 Ų58.50%026%0.264CS..EExtended strand (participates in β ladder)trans-109.7120.9174-176.80000108.2I196 Q265 V267 L272 K307 F310I196-V304 HydrophobicContact CB-CG2 4.31Å; I196-V304 WeakPolarHBondContact O-CA 3.29Å; Q265-V304 PolarHBondContact N-O 3.35Å; Q265-V304 PolarHBondContact O-N 2.84Å; V267-V304 HydrophobicContact CG1-CG2 4.38Å; V267-V304 HydrophobicContact CG2-CG2 3.7Å; L272-V304 HydrophobicContact CD1-CG2 3.89Å; V304-K307 HydrophobicContact CG1-CB 4.26Å; V304-F310 HydrophobicContact CG1-CB 4.06Å; V304-F310 HydrophobicContact CG1-CD1 3.72Å; V304-F310 HydrophobicContact CG1-CG 4.19Å
305E89Confident89.8Confident9 Ų957.4 Ų57.44%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-73.5131.4168.1-51-163.4176.700108.2R195 I196 S197 K262 N264 K307R195-E305 VanDerWaalsContact CD-OE1 3.29Å; R195-E305 WeakPolarHBondContact CD-OE1 3.3Å; R195-E305 HydrophobicContact CG-CG 4.32Å; R195-E305 IonicContact CZ-OE1 3.69Å; R195-E305 IonicContact NE-OE1 3.65Å; R195-E305 IonicContact NH1-OE1 3.38Å; R195-E305 PolarHBondContact NH1-OE1 3.16Å; I196-E305 PolarHBondContact O-N 2.82Å; S197-E305 VanDerWaalsContact CB-CD 3.45Å; K262-E305 IonicContact NZ-OE2 3.64Å; K262-E305 PolarHBondContact NZ-OE2 3.07Å; N264-E305 WeakPolarHBondContact OD1-CG 3.2Å; E305-K307 PolarHBondContact O-N 3.46Å
306E84.7Confident90.2Very high23 Ų2349.2 Ų49.211%0.10724%0.238CC..THydrogen-bonded Turntrans55.950.4172.6-51.2174.9125.800112.7S198 T263 H308 L309 F310S198-E306 PolarHBondContact OG-OE2 2.84Å; T263-E306 PolarHBondContact O-N 3.46Å; E306-H308 VanDerWaalsContact C-N 3.28Å; E306-H308 PolarHBondContact O-N 3.14Å; E306-L309 HydrophobicContact CB-CB 4Å; E306-L309 WeakPolarHBondContact O-CA 3.47Å; E306-L309 WeakPolarHBondContact O-CB 3.43Å; E306-L309 PolarHBondContact O-N 3Å; E306-F310 PolarHBondContact O-N 2.94Å
307K88.9Confident90.5Very high51 Ų5145.5 Ų45.522%0.22222%0.218CC..Hα-helixtrans-40.8-49.5-174.2177.1179.9172.71680114.4Q265 V267 I275 V304 E305 F310 Q311Q265-K307 VanDerWaalsContact OE1-CB 3.22Å; V267-K307 HydrophobicContact CG1-CD 4.42Å; I275-K307 HydrophobicContact CD1-CD 3.85Å; I275-K307 VanDerWaalsContact CD1-CE 3.46Å; I275-K307 HydrophobicContact CD1-CG 3.8Å; I275-K307 HydrophobicContact CG1-CD 4.35Å; I275-K307 HydrophobicContact CG1-CG 4.14Å; V304-K307 HydrophobicContact CG1-CB 4.26Å; E305-K307 PolarHBondContact O-N 3.46Å; K307-F310 PolarHBondContact O-N 3.02Å; K307-Q311 WeakPolarHBondContact O-CB 3.16Å; K307-Q311 PolarHBondContact O-N 2.93Å
308H86.6Confident90.7Very high152 Ų15248.2 Ų48.270%0.70423%0.232SC*.Hα-helixtrans-63.2-43.5-179.5179.2-88.3000112.1E306 Q311 Y312E306-H308 VanDerWaalsContact C-N 3.28Å; E306-H308 PolarHBondContact O-N 3.14Å; H308-Q311 PolarHBondContact O-N 3Å; H308-Y312 WeakPolarHBondContact O-CB 3.34Å; H308-Y312 PolarHBondContact O-N 3.33Å
309L83.5Confident90.8Very high23 Ų2346.4 Ų46.412%0.1223%0.225CC..Hα-helixtrans-65.6-43.6176-176.753.6000110.7T257 E306 Q311 Y312 R313T257-L309 HydrophobicContact CG2-CD1 3.97Å; E306-L309 HydrophobicContact CB-CB 4Å; E306-L309 WeakPolarHBondContact O-CA 3.47Å; E306-L309 WeakPolarHBondContact O-CB 3.43Å; E306-L309 PolarHBondContact O-N 3Å; L309-Q311 VanDerWaalsContact C-N 3.34Å; L309-Q311 PolarHBondContact O-N 3.2Å; L309-Y312 HydrophobicContact CD1-CD1 4.44Å; L309-Y312 PolarHBondContact O-N 3.3Å; L309-R313 HydrophobicContact CD1-CG 4.18Å; L309-R313 HydrophobicContact CG-CG 4.45Å; L309-R313 VanDerWaalsContact O-CG 3.23Å; L309-R313 WeakPolarHBondContact O-CG 3.34Å; L309-R313 PolarHBondContact O-N 3.25Å
310F89.2Confident90.8Very high1 Ų139.5 Ų39.50%0.00420%0.195CC..Hα-helixtrans-58.4-44.3175-179.8-124.1000112.6L182 F183 I196 L272 I275 C276 W281 V304 E306 K307 R313 C314L182-F310 HydrophobicContact CD1-CE2 4.26Å; L182-F310 HydrophobicContact CG-CE2 4.15Å; F183-F310 HydrophobicContact CB-CD2 4.31Å; F183-F310 HydrophobicContact CB-CE2 3.67Å; F183-F310 HydrophobicContact CB-CZ 4.36Å; F183-F310 HydrophobicContact CD1-CE2 4.31Å; F183-F310 HydrophobicContact CG-CE2 4.18Å; F183-F310 HydrophobicContact CG-CZ 4.47Å; I196-F310 HydrophobicContact CG2-CD1 4.29Å; I196-F310 HydrophobicContact CG2-CE1 3.92Å; I196-F310 HydrophobicContact CG2-CE2 4.21Å; I196-F310 HydrophobicContact CG2-CZ 3.89Å; L272-F310 HydrophobicContact CD1-CE1 4.19Å; I275-F310 HydrophobicContact CG2-CD1 3.51Å; I275-F310 HydrophobicContact CG2-CE1 3.87Å; C276-F310 HydrophobicContact CB-CE1 3.95Å; C276-F310 HydrophobicContact CB-CZ 3.94Å; W281-F310 HydrophobicContact CH2-CE1 4.15Å; W281-F310 AromaticContact CH2-CZ 3.76Å; W281-F310 HydrophobicContact CH2-CZ 3.76Å; W281-F310 AromaticContact CZ2-CE1 3.88Å; W281-F310 HydrophobicContact CZ2-CE1 3.88Å; W281-F310 AromaticContact CZ2-CZ 3.67Å; W281-F310 HydrophobicContact CZ2-CZ 3.67Å; V304-F310 HydrophobicContact CG1-CB 4.06Å; V304-F310 HydrophobicContact CG1-CD1 3.72Å; V304-F310 HydrophobicContact CG1-CG 4.19Å; E306-F310 PolarHBondContact O-N 2.94Å; K307-F310 PolarHBondContact O-N 3.02Å; F310-R313 PolarHBondContact O-N 3.02Å; F310-C314 WeakPolarHBondContact O-CB 3.33Å; F310-C314 PolarHBondContact O-N 2.68Å
311Q92Very high90.8Very high91 Ų9140.5 Ų40.543%0.42520%0.201SC..Hα-helixtrans-59.1-48.7175.1-173.9171.57.600112I275 K307 H308 L309 R313 C314 G315I275-Q311 HydrophobicContact CG2-CB 4.05Å; K307-Q311 WeakPolarHBondContact O-CB 3.16Å; K307-Q311 PolarHBondContact O-N 2.93Å; H308-Q311 PolarHBondContact O-N 3Å; L309-Q311 VanDerWaalsContact C-N 3.34Å; L309-Q311 PolarHBondContact O-N 3.2Å; Q311-R313 PolarHBondContact O-N 2.96Å; Q311-C314 PolarHBondContact O-N 2.87Å; Q311-G315 PolarHBondContact O-N 3.19Å
312Y88.5Confident90.6Very high103 Ų10344.5 Ų44.540%0.40421%0.214SC..Hα-helixtrans-57.8-48178.1176.1-102.8000112T257 H308 L309 C314 G315 F316T257-Y312 HydrophobicContact CG2-CD1 4.42Å; T257-Y312 HydrophobicContact CG2-CE1 4.34Å; H308-Y312 WeakPolarHBondContact O-CB 3.34Å; H308-Y312 PolarHBondContact O-N 3.33Å; L309-Y312 HydrophobicContact CD1-CD1 4.44Å; L309-Y312 PolarHBondContact O-N 3.3Å; Y312-C314 VanDerWaalsContact C-N 3.32Å; Y312-C314 PolarHBondContact O-N 3.26Å; Y312-G315 PolarHBondContact O-N 3.09Å; Y312-F316 PolarHBondContact O-N 3.41Å
313R87.5Confident90.3Very high1 Ų146.8 Ų46.80%0.00423%0.228CC..Hα-helixtrans-63-39.2177.9-63.5-173.7-67.5-157.5-11.7112.2L182 S198 T202 F252 L309 F310 Q311 F316 H317L182-R313 HydrophobicContact CD1-CB 3.86Å; S198-R313 VanDerWaalsContact CB-NH1 3.3Å; S198-R313 PolarHBondContact OG-NH1 3.02Å; S198-R313 PolarHBondContact OG-NH2 3.2Å; T202-R313 PolarHBondContact OG1-NH1 3.46Å; F252-R313 VanDerWaalsContact CD1-CD 3.46Å; F252-R313 HydrophobicContact CD1-CG 3.59Å; F252-R313 HydrophobicContact CE1-CB 3.88Å; F252-R313 HydrophobicContact CE1-CG 3.31Å; F252-R313 HydrophobicContact CZ-CG 4.44Å; L309-R313 HydrophobicContact CD1-CG 4.18Å; L309-R313 HydrophobicContact CG-CG 4.45Å; L309-R313 VanDerWaalsContact O-CG 3.23Å; L309-R313 WeakPolarHBondContact O-CG 3.34Å; L309-R313 PolarHBondContact O-N 3.25Å; F310-R313 PolarHBondContact O-N 3.02Å; Q311-R313 PolarHBondContact O-N 2.96Å; R313-F316 WeakPolarHBondContact O-CB 3.33Å; R313-F316 PolarHBondContact O-N 3.33Å; R313-H317 PolarHBondContact O-N 3.13Å; R313-H317 VanDerWaalsContact O-N 3.14Å; R313-H317 PolarHBondContact O-ND1 3.33Å
314C92.8Very high89.9Confident1 Ų150.3 Ų50.31%0.00725%0.248CC..Hα-helixtrans-65.2-42.1176.6-176.50000111.6L182 C276 P278 F310 Q311 Y312 F316 H317 Q318L182-C314 HydrophobicContact CD1-CB 4.25Å; C276-C314 WeakPolarHBondContact CA-SG 3.27Å; C276-C314 HydrophobicContact CB-CB 3.67Å; C276-C314 WeakPolarHBondContact CB-SG 3.48Å; C276-C314 WeakPolarHBondContact SG-CB 3.47Å; C276-C314 CovalentContact SG-SG 2.03Å; C276-C314 PolarHBondContact SG-SG 3.18Å; P278-C314 VanDerWaalsContact CD-SG 3.59Å; P278-C314 VanDerWaalsContact CG-SG 3.54Å; F310-C314 WeakPolarHBondContact O-CB 3.33Å; F310-C314 PolarHBondContact O-N 2.68Å; Q311-C314 PolarHBondContact O-N 2.87Å; Y312-C314 VanDerWaalsContact C-N 3.32Å; Y312-C314 PolarHBondContact O-N 3.26Å; C314-F316 VanDerWaalsContact C-N 3.29Å; C314-F316 PolarHBondContact O-N 3.33Å; C314-H317 PolarHBondContact O-N 2.87Å; C314-H317 VanDerWaalsContact O-N 3.12Å; C314-Q318 PolarHBondContact O-N 3.24Å
315G92.8Very high89.7Confident28 Ų2856.1 Ų56.129%0.28928%0.276SS..Hα-helixtrans-57.4-41.4172.900000112.4Q311 Y312 H317 Q318 I319Q311-G315 PolarHBondContact O-N 3.19Å; Y312-G315 PolarHBondContact O-N 3.09Å; G315-H317 VanDerWaalsContact C-N 3.34Å; G315-H317 PolarHBondContact O-N 3.17Å; G315-Q318 WeakPolarHBondContact O-CB 3.42Å; G315-Q318 PolarHBondContact O-N 3.49Å; G315-I319 WeakPolarHBondContact O-CG1 3.43Å; G315-I319 PolarHBondContact O-N 3.15Å; G315-I319 VanDerWaalsContact O-N 3.09Å
316F89.9Confident89.7Confident42 Ų4257.2 Ų57.218%0.18428%0.282CS..Hα-helixtrans-61.5-40.7175.4-168.6-85.6000112.8L244 R247 L248 A251 Y312 R313 C314 Q320L244-F316 HydrophobicContact CD1-CE1 4.43Å; R247-F316 HydrophobicContact CB-CE1 4.48Å; R247-F316 HydrophobicContact CB-CZ 3.92Å; L248-F316 HydrophobicContact CD2-CD1 3.38Å; L248-F316 HydrophobicContact CD2-CE1 3.55Å; L248-F316 HydrophobicContact CG-CD1 4.28Å; L248-F316 HydrophobicContact CG-CE1 3.94Å; A251-F316 HydrophobicContact CB-CD2 4.18Å; A251-F316 HydrophobicContact CB-CE2 4.29Å; A251-F316 HydrophobicContact CB-CG 4.49Å; Y312-F316 PolarHBondContact O-N 3.41Å; R313-F316 WeakPolarHBondContact O-CB 3.33Å; R313-F316 PolarHBondContact O-N 3.33Å; C314-F316 VanDerWaalsContact C-N 3.29Å; C314-F316 PolarHBondContact O-N 3.33Å; F316-Q320 HydrophobicContact CE1-CG 4.49Å; F316-Q320 WeakPolarHBondContact O-CG 3.29Å; F316-Q320 PolarHBondContact O-NE2 3.42Å; F316-Q320 VanDerWaalsContact O-NE2 3.14Å
317H92.1Very high90Very high0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-69.5-36.4175.5-73.670.3000112.3L166 Y170 L248 R313 C314 G315 I319 Q320L166-H317 HydrophobicContact CD2-CB 3.98Å; Y170-H317 AromaticContact CZ-CD2 3.96Å; Y170-H317 PolarHBondContact OH-CD2 2.8Å; Y170-H317 PolarHBondContact OH-NE2 2.92Å; L248-H317 WeakPolarHBondContact CD2-CE1 3.44Å; R313-H317 PolarHBondContact O-N 3.13Å; R313-H317 VanDerWaalsContact O-N 3.14Å; R313-H317 PolarHBondContact O-ND1 3.33Å; C314-H317 PolarHBondContact O-N 2.87Å; C314-H317 VanDerWaalsContact O-N 3.12Å; G315-H317 VanDerWaalsContact C-N 3.34Å; G315-H317 PolarHBondContact O-N 3.17Å; H317-I319 VanDerWaalsContact C-N 3.32Å; H317-I319 PolarHBondContact O-N 3.4Å; H317-Q320 WeakPolarHBondContact O-CB 3.44Å; H317-Q320 PolarHBondContact O-N 2.96Å; H317-Q320 VanDerWaalsContact O-N 3.13Å
318Q93.5Very high90.1Very high83 Ų8356.4 Ų56.439%0.38828%0.282SS..Hα-helixtrans-60-42.7176.5-172.4175-23.100111.5P278 C314 G315 Q320 L321P278-Q318 HydrophobicContact CB-CG 4.45Å; P278-Q318 HydrophobicContact CG-CB 4.04Å; P278-Q318 HydrophobicContact CG-CG 4.29Å; C314-Q318 PolarHBondContact O-N 3.24Å; G315-Q318 WeakPolarHBondContact O-CB 3.42Å; G315-Q318 PolarHBondContact O-N 3.49Å; Q318-Q320 PolarHBondContact O-N 2.92Å; Q318-L321 VanDerWaalsContact O-CB 3.31Å; Q318-L321 WeakPolarHBondContact O-CB 3.4Å; Q318-L321 PolarHBondContact O-N 3.25Å
319I92.4Very high90.4Very high84 Ų8449.4 Ų49.443%0.43125%0.25SS..Hα-helixtrans-59.4-34.4176.4-67.3163.9000111.2G315 H317 L321 E322G315-I319 WeakPolarHBondContact O-CG1 3.43Å; G315-I319 PolarHBondContact O-N 3.15Å; G315-I319 VanDerWaalsContact O-N 3.09Å; H317-I319 VanDerWaalsContact C-N 3.32Å; H317-I319 PolarHBondContact O-N 3.4Å; I319-L321 PolarHBondContact O-N 2.87Å; I319-L321 VanDerWaalsContact O-N 3.15Å; I319-E322 WeakPolarHBondContact O-CB 3.25Å; I319-E322 WeakPolarHBondContact O-CG 3.25Å; I319-E322 PolarHBondContact O-N 3.06Å
320Q90.7Very high90.8Very high7 Ų748.3 Ų48.33%0.03324%0.244CC..THydrogen-bonded Turntrans-68.2-13.3178.2-49.5-46.9-52.300113.2L244 F316 H317 Q318 N326 K327 L330L244-Q320 HydrophobicContact CD1-CG 3.71Å; F316-Q320 HydrophobicContact CE1-CG 4.49Å; F316-Q320 WeakPolarHBondContact O-CG 3.29Å; F316-Q320 PolarHBondContact O-NE2 3.42Å; F316-Q320 VanDerWaalsContact O-NE2 3.14Å; H317-Q320 WeakPolarHBondContact O-CB 3.44Å; H317-Q320 PolarHBondContact O-N 2.96Å; H317-Q320 VanDerWaalsContact O-N 3.13Å; Q318-Q320 PolarHBondContact O-N 2.92Å; Q320-N326 HydrophobicContact CB-CB 4.16Å; Q320-N326 CarbonylContact O-C 3.58Å; Q320-N326 WeakPolarHBondContact O-CB 3.33Å; Q320-N326 PolarHBondContact OE1-OD1 3.32Å; Q320-K327 WeakPolarHBondContact O-CA 3.41Å; Q320-K327 PolarHBondContact O-N 3.09Å; Q320-L330 HydrophobicContact CB-CD2 4.23Å
321L91.3Very high90.9Very high47 Ų4748.3 Ų48.325%0.24624%0.244CC..THydrogen-bonded Turntrans-86.8-8.1177.8-54.2173000113L166 P278 Q318 I319 K327 L330L166-L321 HydrophobicContact CB-CD1 3.99Å; L166-L321 HydrophobicContact CD1-CD2 4.44Å; P278-L321 HydrophobicContact CB-CD1 3.85Å; Q318-L321 VanDerWaalsContact O-CB 3.31Å; Q318-L321 WeakPolarHBondContact O-CB 3.4Å; Q318-L321 PolarHBondContact O-N 3.25Å; I319-L321 PolarHBondContact O-N 2.87Å; I319-L321 VanDerWaalsContact O-N 3.15Å; L321-K327 HydrophobicContact CD2-CG 4.41Å; L321-L330 HydrophobicContact CD2-CD2 3.91Å
322E90.4Very high91Very high147 Ų14744 Ų4469%0.68722%0.224SC*.SBendtrans-76.6-24.5-172.8-65.9179.1175.500113.7I319I319-E322 WeakPolarHBondContact O-CB 3.25Å; I319-E322 WeakPolarHBondContact O-CG 3.25Å; I319-E322 PolarHBondContact O-N 3.06Å
323T90.5Very high91.2Very high59 Ų5939.1 Ų39.136%0.36221%0.205SC..SBendtrans-124.7140.7-179.3640000110.1E325 N326 K327T323-E325 PolarHBondContact O-N 2.94Å; T323-N326 PolarHBondContact O-N 3.05Å; T323-N326 VanDerWaalsContact OG1-CB 3.26Å; T323-N326 WeakPolarHBondContact OG1-CB 3.49Å; T323-N326 PolarHBondContact OG1-N 3.5Å; T323-N326 PolarHBondContact OG1-ND2 3.15Å; T323-K327 WeakPolarHBondContact O-CB 3.49Å; T323-K327 PolarHBondContact O-N 3.25Å
324D88.4Confident91.5Very high104 Ų10439.1 Ų39.156%0.55621%0.205SC*.Hα-helixtrans-55.8-37.6178.3-65.8-15.5000112.6L162 K327 S328L162-D324 HydrophobicContact CD2-CB 3.78Å; L162-D324 WeakPolarHBondContact CD2-OD1 3.2Å; D324-K327 PolarHBondContact O-N 3.08Å; D324-S328 WeakPolarHBondContact O-CB 3.49Å; D324-S328 PolarHBondContact O-N 2.98Å
325E88.3Confident91.5Very high123 Ų12339 Ų3958%0.57521%0.205SC*.Hα-helixtrans-62.5-56.7177.2-172.6-172.5152.200112.3T323 K327 S328 A329T323-E325 PolarHBondContact O-N 2.94Å; E325-K327 PolarHBondContact O-N 2.9Å; E325-S328 WeakPolarHBondContact O-CB 3.44Å; E325-S328 PolarHBondContact O-N 3.43Å; E325-A329 PolarHBondContact O-N 2.83Å
326N90.6Very high91.5Very high32 Ų3237.7 Ų37.717%0.17119%0.191CC..Hα-helixtrans-62.7-33.1177.5-69.3-51.7000112.1R247 Q320 T323 A329 L330R247-N326 PolarHBondContact NH2-OD1 3.18Å; Q320-N326 HydrophobicContact CB-CB 4.16Å; Q320-N326 CarbonylContact O-C 3.58Å; Q320-N326 WeakPolarHBondContact O-CB 3.33Å; Q320-N326 PolarHBondContact OE1-OD1 3.32Å; T323-N326 PolarHBondContact O-N 3.05Å; T323-N326 VanDerWaalsContact OG1-CB 3.26Å; T323-N326 WeakPolarHBondContact OG1-CB 3.49Å; T323-N326 PolarHBondContact OG1-N 3.5Å; T323-N326 PolarHBondContact OG1-ND2 3.15Å; N326-A329 PolarHBondContact O-N 3.02Å; N326-L330 WeakPolarHBondContact O-CB 3.5Å; N326-L330 PolarHBondContact O-N 2.81Å
327K90.9Very high91.6Very high24 Ų2435.9 Ų35.910%0.10418%0.184CC..Hα-helixtrans-67.7-42.4177.4-173.8173-176.9167.70111.3I161 L162 L164 Q320 L321 T323 D324 E325 L330 Y331I161-K327 VanDerWaalsContact O-CE 3.31Å; I161-K327 WeakPolarHBondContact O-CE 3.49Å; L162-K327 PolarHBondContact O-NZ 3.21Å; L164-K327 WeakPolarHBondContact O-CE 3.35Å; L164-K327 PolarHBondContact O-NZ 3.44Å; Q320-K327 WeakPolarHBondContact O-CA 3.41Å; Q320-K327 PolarHBondContact O-N 3.09Å; L321-K327 HydrophobicContact CD2-CG 4.41Å; T323-K327 WeakPolarHBondContact O-CB 3.49Å; T323-K327 PolarHBondContact O-N 3.25Å; D324-K327 PolarHBondContact O-N 3.08Å; E325-K327 PolarHBondContact O-N 2.9Å; K327-L330 PolarHBondContact O-N 3.1Å; K327-Y331 WeakPolarHBondContact O-CB 3.45Å; K327-Y331 PolarHBondContact O-N 3.31Å
328S90.3Very high91.7Very high33 Ų3336 Ų3623%0.23118%0.184CC..Hα-helixtrans-61.3-47.5172.3-176.60000111.1D324 E325 L330 Y331 N332D324-S328 WeakPolarHBondContact O-CB 3.49Å; D324-S328 PolarHBondContact O-N 2.98Å; E325-S328 WeakPolarHBondContact O-CB 3.44Å; E325-S328 PolarHBondContact O-N 3.43Å; S328-L330 VanDerWaalsContact C-N 3.29Å; S328-L330 PolarHBondContact O-N 3.01Å; S328-Y331 PolarHBondContact O-N 2.96Å; S328-N332 WeakPolarHBondContact O-CB 3.29Å; S328-N332 PolarHBondContact O-N 2.95Å; S328-N332 PolarHBondContact O-ND2 2.99Å
329A92Very high91.6Very high4 Ų432.1 Ų32.13%0.03317%0.166CC..Hα-helixtrans-57.9-40175.100000112.4D240 L244 E325 N326 L333D240-A329 HydrophobicContact CB-CB 4.43Å; L244-A329 HydrophobicContact CB-CB 4.32Å; L244-A329 HydrophobicContact CD2-CB 3.85Å; E325-A329 PolarHBondContact O-N 2.83Å; N326-A329 PolarHBondContact O-N 3.02Å; A329-L333 WeakPolarHBondContact O-CB 3.41Å; A329-L333 PolarHBondContact O-N 3.01Å
330L92.2Very high91.5Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-68.8-41.4177.6-173.964.8000112.3L166 I169 L244 Q320 L321 N326 K327 S328 L333 A334L166-L330 HydrophobicContact CD1-CD2 3.57Å; I169-L330 HydrophobicContact CD1-CD2 4.43Å; L244-L330 HydrophobicContact CD2-CB 3.85Å; L244-L330 HydrophobicContact CD2-CD1 4.1Å; Q320-L330 HydrophobicContact CB-CD2 4.23Å; L321-L330 HydrophobicContact CD2-CD2 3.91Å; N326-L330 WeakPolarHBondContact O-CB 3.5Å; N326-L330 PolarHBondContact O-N 2.81Å; K327-L330 PolarHBondContact O-N 3.1Å; S328-L330 VanDerWaalsContact C-N 3.29Å; S328-L330 PolarHBondContact O-N 3.01Å; L330-L333 PolarHBondContact O-N 2.99Å; L330-A334 PolarHBondContact O-N 2.89Å
331Y92.7Very high91.4Very high1 Ų129 Ų290%0.00415%0.15CC..Hα-helixtrans-62.3-49.2174.7176.9-90.5000111F138 E140 W141 I161 L164 I169 K327 S328 L333 A334 V335F138-Y331 HydrophobicContact CB-CE2 4.39Å; F138-Y331 WeakPolarHBondContact CB-OH 3.47Å; F138-Y331 HydrophobicContact CD1-CE2 4.1Å; F138-Y331 PolarHBondContact O-OH 3.08Å; E140-Y331 PolarHBondContact O-OH 3.16Å; W141-Y331 AromaticContact CD1-CE1 3.46Å; W141-Y331 VanDerWaalsContact CD1-CE1 3.46Å; W141-Y331 HydrophobicContact CG-CE1 4.21Å; W141-Y331 AromaticContact NE1-CE1 3.9Å; I161-Y331 HydrophobicContact CD1-CD1 3.85Å; I161-Y331 HydrophobicContact CD1-CE1 3.73Å; I161-Y331 HydrophobicContact CD1-CG 4.47Å; I161-Y331 HydrophobicContact CG1-CD1 4.32Å; I161-Y331 HydrophobicContact CG1-CE1 4.13Å; I161-Y331 HydrophobicContact CG1-CE2 4.4Å; I161-Y331 HydrophobicContact CG2-CD1 4.28Å; I161-Y331 HydrophobicContact CG2-CD2 4.17Å; I161-Y331 HydrophobicContact CG2-CG 3.88Å; L164-Y331 HydrophobicContact CD1-CD2 3.65Å; L164-Y331 HydrophobicContact CD1-CE2 3.4Å; L164-Y331 VanDerWaalsContact CD1-CE2 3.4Å; I169-Y331 HydrophobicContact CG1-CD2 4.27Å; K327-Y331 WeakPolarHBondContact O-CB 3.45Å; K327-Y331 PolarHBondContact O-N 3.31Å; S328-Y331 PolarHBondContact O-N 2.96Å; Y331-L333 VanDerWaalsContact C-N 3.28Å; Y331-L333 PolarHBondContact O-N 2.85Å; Y331-A334 WeakPolarHBondContact O-CB 3.16Å; Y331-A334 PolarHBondContact O-N 3.45Å; Y331-V335 HydrophobicContact CD1-CG2 4.13Å; Y331-V335 HydrophobicContact CE1-CG2 3.75Å; Y331-V335 WeakPolarHBondContact O-CG2 3.37Å; Y331-V335 PolarHBondContact O-N 2.97Å
332N93Very high91.2Very high1 Ų126.9 Ų26.91%0.00514%0.139CC..Hα-helixtrans-56.4-43.7175.6-67.7-20.3000111.1W141 L143 T241 S328 A334 V335 L336W141-N332 HydrophobicContact CZ2-CB 4.41Å; W141-N332 PolarHBondContact NE1-OD1 3.07Å; L143-N332 HydrophobicContact CD1-CB 4.46Å; T241-N332 HydrophobicContact CG2-CB 3.83Å; T241-N332 VanDerWaalsContact OG1-CB 3.26Å; T241-N332 WeakPolarHBondContact OG1-CB 3.3Å; T241-N332 PolarHBondContact OG1-ND2 2.78Å; S328-N332 WeakPolarHBondContact O-CB 3.29Å; S328-N332 PolarHBondContact O-N 2.95Å; S328-N332 PolarHBondContact O-ND2 2.99Å; N332-A334 VanDerWaalsContact C-N 3.34Å; N332-A334 PolarHBondContact O-N 2.86Å; N332-V335 PolarHBondContact O-N 3.27Å; N332-L336 WeakPolarHBondContact O-CB 3.2Å; N332-L336 VanDerWaalsContact O-CG 3.29Å; N332-L336 WeakPolarHBondContact O-CG 3.34Å; N332-L336 PolarHBondContact O-N 3.28Å
333L92.5Very high91Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-61.3-41.8176.2-177.758.1000111.7L221 T241 F245 L248 A329 L330 Y331 L336 N337L221-L333 HydrophobicContact CD1-CD1 3.89Å; L221-L333 HydrophobicContact CD2-CD1 4.38Å; T241-L333 HydrophobicContact CG2-CB 3.89Å; T241-L333 HydrophobicContact CG2-CD1 4.48Å; F245-L333 HydrophobicContact CB-CD1 4.03Å; F245-L333 HydrophobicContact CB-CD2 4.25Å; F245-L333 HydrophobicContact CD2-CD1 3.92Å; F245-L333 HydrophobicContact CG-CD1 4.37Å; L248-L333 HydrophobicContact CD1-CD2 3.5Å; L248-L333 VanDerWaalsContact CD1-CD2 3.5Å; A329-L333 WeakPolarHBondContact O-CB 3.41Å; A329-L333 PolarHBondContact O-N 3.01Å; L330-L333 PolarHBondContact O-N 2.99Å; Y331-L333 VanDerWaalsContact C-N 3.28Å; Y331-L333 PolarHBondContact O-N 2.85Å; L333-L336 PolarHBondContact O-N 3.49Å; L333-N337 VanDerWaalsContact CD1-ND2 3.32Å; L333-N337 WeakPolarHBondContact CD1-ND2 3.31Å; L333-N337 WeakPolarHBondContact CG-ND2 3.45Å; L333-N337 WeakPolarHBondContact O-CB 3.28Å; L333-N337 PolarHBondContact O-N 2.93Å; L333-N337 PolarHBondContact O-ND2 3.4Å
334A93.3Very high90.7Very high1 Ų120.5 Ų20.51%0.00810%0.102CC..Hα-helixtrans-65.4-42.2177.600000112.3F138 I169 Y170 L173 L330 Y331 N332 N337 F338F138-A334 HydrophobicContact CE1-CB 4.37Å; I169-A334 HydrophobicContact CG2-CB 3.33Å; Y170-A334 HydrophobicContact CD1-CB 4.21Å; Y170-A334 HydrophobicContact CE1-CB 4.08Å; L173-A334 HydrophobicContact CD1-CB 4.31Å; L330-A334 PolarHBondContact O-N 2.89Å; Y331-A334 WeakPolarHBondContact O-CB 3.16Å; Y331-A334 PolarHBondContact O-N 3.45Å; N332-A334 VanDerWaalsContact C-N 3.34Å; N332-A334 PolarHBondContact O-N 2.86Å; A334-N337 PolarHBondContact O-N 3.29Å; A334-F338 WeakPolarHBondContact O-CB 3.14Å; A334-F338 PolarHBondContact O-N 2.78Å
335V94Very high90.3Very high0 Ų019.1 Ų19.10%09%0.089CC..Hα-helixtrans-62.2-47.2174.9176.90000110.6I134 F138 W141 Y331 N332 N337 F338 V339I134-V335 HydrophobicContact CD1-CG1 4Å; I134-V335 HydrophobicContact CG1-CG1 4.01Å; I134-V335 HydrophobicContact CG2-CG1 3.97Å; F138-V335 HydrophobicContact CB-CG2 4.29Å; F138-V335 HydrophobicContact CD1-CG2 3.84Å; F138-V335 HydrophobicContact CD2-CG2 4.02Å; F138-V335 HydrophobicContact CE1-CG2 4.1Å; F138-V335 HydrophobicContact CE2-CG2 4.28Å; F138-V335 HydrophobicContact CG-CG2 3.8Å; F138-V335 HydrophobicContact CZ-CG2 4.32Å; W141-V335 HydrophobicContact CD2-CB 4.41Å; W141-V335 HydrophobicContact CD2-CG1 3.78Å; W141-V335 HydrophobicContact CE3-CG1 3.71Å; W141-V335 HydrophobicContact CG-CG1 4.48Å; W141-V335 HydrophobicContact CH2-CG1 3.99Å; W141-V335 HydrophobicContact CZ2-CB 4.18Å; W141-V335 HydrophobicContact CZ2-CG1 3.99Å; W141-V335 HydrophobicContact CZ3-CG1 3.89Å; Y331-V335 HydrophobicContact CD1-CG2 4.13Å; Y331-V335 HydrophobicContact CE1-CG2 3.75Å; Y331-V335 WeakPolarHBondContact O-CG2 3.37Å; Y331-V335 PolarHBondContact O-N 2.97Å; N332-V335 PolarHBondContact O-N 3.27Å; V335-N337 PolarHBondContact O-N 2.85Å; V335-F338 WeakPolarHBondContact O-CB 3.25Å; V335-F338 PolarHBondContact O-N 3.25Å; V335-F338 VanDerWaalsContact O-N 3.15Å; V335-V339 WeakPolarHBondContact O-CG2 3.48Å; V335-V339 PolarHBondContact O-N 2.96Å
336L93.6Very high89.9Confident0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-63.8-39177.8-69.7176.3000112.3W141 L221 S224 V225 L238 T241 F242 N332 L333 F338 V339 A340W141-L336 HydrophobicContact CH2-CD2 3.88Å; W141-L336 HydrophobicContact CH2-CG 4.3Å; L221-L336 HydrophobicContact CD2-CB 3.73Å; S224-L336 PolarHBondContact OG-O 3.5Å; V225-L336 HydrophobicContact CG2-CD1 4.03Å; V225-L336 HydrophobicContact CG2-CD2 3.71Å; L238-L336 HydrophobicContact CD2-CD1 4.18Å; T241-L336 HydrophobicContact CG2-CD1 4.01Å; F242-L336 HydrophobicContact CZ-CD1 4.41Å; N332-L336 WeakPolarHBondContact O-CB 3.2Å; N332-L336 VanDerWaalsContact O-CG 3.29Å; N332-L336 WeakPolarHBondContact O-CG 3.34Å; N332-L336 PolarHBondContact O-N 3.28Å; L333-L336 PolarHBondContact O-N 3.49Å; L336-F338 VanDerWaalsContact C-N 3.32Å; L336-F338 PolarHBondContact O-N 3.25Å; L336-V339 PolarHBondContact O-N 3.4Å; L336-A340 VanDerWaalsContact O-CB 3.25Å; L336-A340 WeakPolarHBondContact O-CB 3.28Å; L336-A340 PolarHBondContact O-N 2.93Å
337N91.5Very high89.3Confident4 Ų413.8 Ų13.82%0.0216%0.064CC..Hα-helixtrans-63.8-39173.3-83.8-73000111.7L173 L333 A334 V335 A340 E341L173-N337 HydrophobicContact CD1-CB 4.2Å; L173-N337 HydrophobicContact CD2-CB 4.29Å; L333-N337 VanDerWaalsContact CD1-ND2 3.32Å; L333-N337 WeakPolarHBondContact CD1-ND2 3.31Å; L333-N337 WeakPolarHBondContact CG-ND2 3.45Å; L333-N337 WeakPolarHBondContact O-CB 3.28Å; L333-N337 PolarHBondContact O-N 2.93Å; L333-N337 PolarHBondContact O-ND2 3.4Å; A334-N337 PolarHBondContact O-N 3.29Å; V335-N337 PolarHBondContact O-N 2.85Å; N337-A340 WeakPolarHBondContact O-CB 3.42Å; N337-A340 PolarHBondContact O-N 2.73Å; N337-E341 PolarHBondContact O-N 3.1Å
338F93.2Very high88.7Confident2 Ų215.5 Ų15.51%0.0098%0.075CC..Hα-helixtrans-63.8-43.6178173.4-94.2000111.6L133 A137 F138 P172 L173 A334 V335 L336 E341 Q342 Y471L133-F338 HydrophobicContact CB-CE1 4.02Å; L133-F338 HydrophobicContact CB-CZ 4.45Å; A137-F338 HydrophobicContact CB-CE1 4.29Å; A137-F338 HydrophobicContact CB-CE2 4.38Å; A137-F338 HydrophobicContact CB-CZ 4.05Å; F138-F338 HydrophobicContact CE2-CB 3.65Å; F138-F338 AromaticContact CE2-CD1 3.78Å; F138-F338 HydrophobicContact CE2-CD1 3.78Å; F138-F338 HydrophobicContact CE2-CD2 4.1Å; F138-F338 HydrophobicContact CE2-CE1 4.45Å; F138-F338 AromaticContact CE2-CG 3.58Å; F138-F338 HydrophobicContact CE2-CG 3.58Å; F138-F338 HydrophobicContact CZ-CB 3.84Å; F138-F338 HydrophobicContact CZ-CG 4.15Å; P172-F338 HydrophobicContact CB-CD2 4.29Å; P172-F338 HydrophobicContact CB-CE2 4.42Å; L173-F338 HydrophobicContact CD2-CB 3.88Å; L173-F338 HydrophobicContact CD2-CD2 4.43Å; L173-F338 HydrophobicContact CG-CB 4.24Å; A334-F338 WeakPolarHBondContact O-CB 3.14Å; A334-F338 PolarHBondContact O-N 2.78Å; V335-F338 WeakPolarHBondContact O-CB 3.25Å; V335-F338 PolarHBondContact O-N 3.25Å; V335-F338 VanDerWaalsContact O-N 3.15Å; L336-F338 VanDerWaalsContact C-N 3.32Å; L336-F338 PolarHBondContact O-N 3.25Å; F338-E341 PolarHBondContact O-N 2.69Å; F338-Q342 HydrophobicContact CE1-CG 4.48Å; F338-Q342 WeakPolarHBondContact O-CG 3.15Å; F338-Q342 PolarHBondContact O-N 3.32Å; F338-Q342 PolarHBondContact O-NE2 3Å; F338-Q342 VanDerWaalsContact O-NE2 3.16Å; F338-Y471 HydrophobicContact CE2-CD2 4.23Å; F338-Y471 AromaticContact CE2-CE2 3.79Å; F338-Y471 HydrophobicContact CE2-CE2 3.79Å; F338-Y471 AromaticContact CZ-CD2 3.96Å; F338-Y471 HydrophobicContact CZ-CD2 3.96Å; F338-Y471 AromaticContact CZ-CE2 3.72Å; F338-Y471 HydrophobicContact CZ-CE2 3.72Å
339V92.8Very high88Confident1 Ų114.6 Ų14.61%0.0067%0.066CC..Hα-helixtrans-67.1-38.4174.5175.90000110.9L130 I134 L228 V335 L336 E341 Q342 N343L130-V339 HydrophobicContact CD1-CG1 4.29Å; L130-V339 HydrophobicContact CD2-CG1 4.3Å; I134-V339 HydrophobicContact CD1-CG2 3.71Å; I134-V339 HydrophobicContact CG1-CG2 3.88Å; L228-V339 HydrophobicContact CD1-CB 4.46Å; L228-V339 HydrophobicContact CD1-CG1 4.17Å; L228-V339 HydrophobicContact CD1-CG2 3.95Å; L228-V339 HydrophobicContact CG-CG1 4.38Å; V335-V339 WeakPolarHBondContact O-CG2 3.48Å; V335-V339 PolarHBondContact O-N 2.96Å; L336-V339 PolarHBondContact O-N 3.4Å; V339-E341 VanDerWaalsContact C-N 3.28Å; V339-E341 PolarHBondContact O-N 3.26Å; V339-Q342 CarbonylContact O-C 3.54Å; V339-Q342 WeakPolarHBondContact O-CA 3.28Å; V339-Q342 WeakPolarHBondContact O-CB 3.4Å; V339-Q342 PolarHBondContact O-N 3.49Å; V339-N343 WeakPolarHBondContact O-CB 3.37Å; V339-N343 PolarHBondContact O-N 3.39Å
340A90.4Very high87.2Confident5 Ų517.9 Ų17.94%0.0418%0.081CC..Hα-helixtrans-58.8-39.6176.300000111.7L220 L221 S224 L336 N337 Q342 N343 R344L220-A340 HydrophobicContact CB-CB 3.98Å; L221-A340 HydrophobicContact CD2-CB 4.38Å; S224-A340 VanDerWaalsContact OG-CA 3.27Å; S224-A340 WeakPolarHBondContact OG-CA 3.3Å; S224-A340 PolarHBondContact OG-N 2.91Å; S224-A340 VanDerWaalsContact OG-N 3.1Å; L336-A340 VanDerWaalsContact O-CB 3.25Å; L336-A340 WeakPolarHBondContact O-CB 3.28Å; L336-A340 PolarHBondContact O-N 2.93Å; N337-A340 WeakPolarHBondContact O-CB 3.42Å; N337-A340 PolarHBondContact O-N 2.73Å; A340-Q342 VanDerWaalsContact C-N 3.31Å; A340-Q342 PolarHBondContact O-N 2.86Å; A340-N343 PolarHBondContact O-N 2.99Å; A340-R344 VanDerWaalsContact O-CB 3.31Å; A340-R344 WeakPolarHBondContact O-CB 3.13Å; A340-R344 PolarHBondContact O-N 3.49Å
341E87.5Confident86.4Confident20 Ų2020.9 Ų20.99%0.09310%0.096CC..Hα-helixtrans-64.9-33.5173.7-74.8-58.2141.100113.2T177 Q200 N337 F338 V339 R344T177-E341 HydrophobicContact CG2-CB 4.41Å; T177-E341 HydrophobicContact CG2-CG 4.16Å; Q200-E341 PolarHBondContact NE2-OE1 3.2Å; N337-E341 PolarHBondContact O-N 3.1Å; F338-E341 PolarHBondContact O-N 2.69Å; V339-E341 VanDerWaalsContact C-N 3.28Å; V339-E341 PolarHBondContact O-N 3.26Å; E341-R344 IonicContact OE2-CZ 3.06Å; E341-R344 IonicContact OE2-NE 3.8Å; E341-R344 PolarHBondContact OE2-NE 3.48Å; E341-R344 IonicContact OE2-NH2 3.73Å; E341-R344 PolarHBondContact OE2-NH2 2.99Å
342Q87.6Confident85.5Confident4 Ų422.4 Ų22.42%0.01910%0.103CC..Hα-helixtrans-73-47.3174.6-50.9-35.4-55.900110.9L130 L133 F338 V339 A340 R344 R345 L346L130-Q342 HydrophobicContact CD2-CB 3.9Å; L130-Q342 HydrophobicContact CD2-CG 4.42Å; L133-Q342 HydrophobicContact CD1-CG 4.09Å; F338-Q342 HydrophobicContact CE1-CG 4.48Å; F338-Q342 WeakPolarHBondContact O-CG 3.15Å; F338-Q342 PolarHBondContact O-N 3.32Å; F338-Q342 PolarHBondContact O-NE2 3Å; F338-Q342 VanDerWaalsContact O-NE2 3.16Å; V339-Q342 CarbonylContact O-C 3.54Å; V339-Q342 WeakPolarHBondContact O-CA 3.28Å; V339-Q342 WeakPolarHBondContact O-CB 3.4Å; V339-Q342 PolarHBondContact O-N 3.49Å; A340-Q342 VanDerWaalsContact C-N 3.31Å; A340-Q342 PolarHBondContact O-N 2.86Å; Q342-R344 VanDerWaalsContact C-N 3.28Å; Q342-R344 PolarHBondContact O-N 3.28Å; Q342-R345 WeakPolarHBondContact O-CB 3.25Å; Q342-R345 PolarHBondContact O-N 2.69Å; Q342-L346 PolarHBondContact O-N 3.18Å
343N85.8Confident84.5Confident2 Ų223.3 Ų23.31%0.01111%0.109CC..Hα-helixtrans-62.1-34.4178.1-79.6-18.7000112.3L223 S224 S227 V339 A340 R345 L346 L347L223-N343 HydrophobicContact CD2-CB 4.19Å; S224-N343 WeakPolarHBondContact CA-ND2 3.43Å; S227-N343 PolarHBondContact OG-ND2 2.9Å; V339-N343 WeakPolarHBondContact O-CB 3.37Å; V339-N343 PolarHBondContact O-N 3.39Å; A340-N343 PolarHBondContact O-N 2.99Å; N343-R345 PolarHBondContact O-N 3.33Å; N343-L346 PolarHBondContact O-N 3.5Å; N343-L346 VanDerWaalsContact O-N 3.08Å; N343-L347 WeakPolarHBondContact O-CB 3.37Å; N343-L347 PolarHBondContact O-N 2.83Å
344R83.9Confident83.4Confident70 Ų7030 Ų3026%0.26414%0.138SC..Hα-helixtrans-56.1-37.7174.6-169.1-178.961.968.30.3111.5A340 E341 Q342 D348A340-R344 VanDerWaalsContact O-CB 3.31Å; A340-R344 WeakPolarHBondContact O-CB 3.13Å; A340-R344 PolarHBondContact O-N 3.49Å; E341-R344 IonicContact OE2-CZ 3.06Å; E341-R344 IonicContact OE2-NE 3.8Å; E341-R344 PolarHBondContact OE2-NE 3.48Å; E341-R344 IonicContact OE2-NH2 3.73Å; E341-R344 PolarHBondContact OE2-NH2 2.99Å; Q342-R344 VanDerWaalsContact C-N 3.28Å; Q342-R344 PolarHBondContact O-N 3.28Å; R344-D348 IonicContact NH1-OD2 3.72Å; R344-D348 PolarHBondContact NH1-OD2 3.01Å; R344-D348 PolarHBondContact O-N 3.15Å
345R80.2Confident82.3Confident75 Ų7533.4 Ų33.428%0.28316%0.158SC..Hα-helixtrans-72.3-35.2176.1-61.9-55.8-173.8-178.83.3113.6Q342 N343 D348 Y369Q342-R345 WeakPolarHBondContact O-CB 3.25Å; Q342-R345 PolarHBondContact O-N 2.69Å; N343-R345 PolarHBondContact O-N 3.33Å; R345-D348 IonicContact NH1-OD2 3.65Å; R345-Y369 PolarHBondContact O-OH 3.35Å
346L80.6Confident81.1Confident11 Ų1134.4 Ų34.46%0.05816%0.164CC..Hα-helixtrans-69.6-41.7174.9-59.3177.7000110.7P119 V126 Q342 N343 R349 E350 V467P119-L346 HydrophobicContact CG-CD2 4.13Å; V126-L346 HydrophobicContact CG1-CD1 3.81Å; Q342-L346 PolarHBondContact O-N 3.18Å; N343-L346 PolarHBondContact O-N 3.5Å; N343-L346 VanDerWaalsContact O-N 3.08Å; L346-R349 VanDerWaalsContact O-CB 3.3Å; L346-R349 WeakPolarHBondContact O-CB 3.41Å; L346-R349 PolarHBondContact O-N 3.13Å; L346-R349 VanDerWaalsContact O-N 3.14Å; L346-E350 PolarHBondContact O-N 3.41Å; L346-E350 VanDerWaalsContact O-N 3.1Å; L346-V467 HydrophobicContact CD1-CG2 4.17Å; L346-V467 HydrophobicContact CD2-CG2 4.18Å
347L78.4Confident79.7Confident31 Ų3142.3 Ų42.316%0.16220%0.198CC..Hα-helixtrans-66-39177.5-172.167.2000112.1F23 L220 N343 R349 E350 I351F23-L347 HydrophobicContact CE1-CD2 4.24Å; L220-L347 HydrophobicContact CD2-CD2 4.2Å; N343-L347 WeakPolarHBondContact O-CB 3.37Å; N343-L347 PolarHBondContact O-N 2.83Å; L347-R349 PolarHBondContact O-N 3.24Å; L347-R349 VanDerWaalsContact O-N 3.17Å; L347-E350 PolarHBondContact O-N 3.02Å; L347-I351 HydrophobicContact CD1-CD1 4.37Å; L347-I351 HydrophobicContact CD1-CG1 4.3Å; L347-I351 HydrophobicContact CD2-CD1 4.26Å; L347-I351 HydrophobicContact CG-CD1 3.8Å; L347-I351 HydrophobicContact CG-CG1 4.18Å; L347-I351 WeakPolarHBondContact O-CB 3.04Å; L347-I351 VanDerWaalsContact O-CG1 3.3Å; L347-I351 WeakPolarHBondContact O-CG1 3.35Å; L347-I351 PolarHBondContact O-N 3.13Å
348D77.6Confident78.4Confident61 Ų6144.6 Ų44.633%0.32622%0.215SC..Hα-helixtrans-53.1-35.9173.5-75.5-20.5000111R344 R345 H352 Y369R344-D348 IonicContact NH1-OD2 3.72Å; R344-D348 PolarHBondContact NH1-OD2 3.01Å; R344-D348 PolarHBondContact O-N 3.15Å; R345-D348 IonicContact NH1-OD2 3.65Å; D348-H352 WeakPolarHBondContact O-CB 3.22Å; D348-H352 PolarHBondContact O-N 3.03Å; D348-Y369 HydrophobicContact CB-CE2 4.2Å
349R76.1Confident76.7Confident13 Ų1349.5 Ų49.55%0.04924%0.241CC..Hα-helixtrans-74.3-50.3175-176.8-173.5170.8169.31.9112.8C115 I116 G118 L346 L347 I351 H352 D353 Y369C115-R349 PolarHBondContact O-NH1 2.97Å; C115-R349 PolarHBondContact O-NH2 2.89Å; I116-R349 PolarHBondContact O-NH2 3.25Å; G118-R349 PolarHBondContact O-NH1 3.43Å; G118-R349 PolarHBondContact O-NH2 3.2Å; L346-R349 VanDerWaalsContact O-CB 3.3Å; L346-R349 WeakPolarHBondContact O-CB 3.41Å; L346-R349 PolarHBondContact O-N 3.13Å; L346-R349 VanDerWaalsContact O-N 3.14Å; L347-R349 PolarHBondContact O-N 3.24Å; L347-R349 VanDerWaalsContact O-N 3.17Å; R349-I351 VanDerWaalsContact C-N 3.26Å; R349-I351 PolarHBondContact O-N 3.09Å; R349-H352 WeakPolarHBondContact O-CA 3.19Å; R349-H352 WeakPolarHBondContact O-CB 3.26Å; R349-H352 PolarHBondContact O-N 3.17Å; R349-D353 IonicContact NE-OD2 3.85Å; R349-D353 PolarHBondContact O-N 2.82Å; R349-Y369 HydrophobicContact CB-CD1 4.06Å; R349-Y369 HydrophobicContact CB-CE1 3.55Å; R349-Y369 HydrophobicContact CB-CE2 4.21Å; R349-Y369 HydrophobicContact CG-CD1 3.83Å; R349-Y369 HydrophobicContact CG-CE1 3.77Å; R349-Y369 HydrophobicContact CG-CG 4.44Å
350E74.7Confident74.9Confident73 Ų7351.5 Ų51.534%0.34125%0.254SS..Hα-helixtrans-57.7-42.1-179.7-71.1-179.7176.500111.4L346 L347 D353 F354L346-E350 PolarHBondContact O-N 3.41Å; L346-E350 VanDerWaalsContact O-N 3.1Å; L347-E350 PolarHBondContact O-N 3.02Å; E350-D353 PolarHBondContact O-N 3.09Å; E350-F354 VanDerWaalsContact O-CB 3.26Å; E350-F354 WeakPolarHBondContact O-CB 2.87Å; E350-F354 PolarHBondContact O-N 2.89Å
351I74.1Confident73.2Confident63 Ų6360.3 Ų60.332%0.32329%0.286SS..Hα-helixtrans-61.2-46.8174.5-68.5171.3000110.2L347 R349 D353 F354 V355L347-I351 HydrophobicContact CD1-CD1 4.37Å; L347-I351 HydrophobicContact CD1-CG1 4.3Å; L347-I351 HydrophobicContact CD2-CD1 4.26Å; L347-I351 HydrophobicContact CG-CD1 3.8Å; L347-I351 HydrophobicContact CG-CG1 4.18Å; L347-I351 WeakPolarHBondContact O-CB 3.04Å; L347-I351 VanDerWaalsContact O-CG1 3.3Å; L347-I351 WeakPolarHBondContact O-CG1 3.35Å; L347-I351 PolarHBondContact O-N 3.13Å; R349-I351 VanDerWaalsContact C-N 3.26Å; R349-I351 PolarHBondContact O-N 3.09Å; I351-D353 PolarHBondContact O-N 2.95Å; I351-F354 PolarHBondContact O-N 3Å; I351-V355 HydrophobicContact CG2-CG2 4.18Å; I351-V355 WeakPolarHBondContact O-CB 3.35Å; I351-V355 WeakPolarHBondContact O-CG2 3.23Å; I351-V355 PolarHBondContact O-N 2.7Å
352H73.8Confident71.5Confident33 Ų3362.9 Ų62.915%0.15330%0.301CS..Hα-helixtrans-58.6-47.1178174.3-83.1000111.7D348 R349 V355 N356 Y369D348-H352 WeakPolarHBondContact O-CB 3.22Å; D348-H352 PolarHBondContact O-N 3.03Å; R349-H352 WeakPolarHBondContact O-CA 3.19Å; R349-H352 WeakPolarHBondContact O-CB 3.26Å; R349-H352 PolarHBondContact O-N 3.17Å; H352-V355 PolarHBondContact O-N 3.25Å; H352-N356 PolarHBondContact CE1-ND2 3.27Å; H352-N356 PolarHBondContact ND1-ND2 3.48Å; H352-N356 PolarHBondContact NE2-ND2 3.38Å; H352-N356 VanDerWaalsContact O-CB 3.25Å; H352-N356 WeakPolarHBondContact O-CB 3.21Å; H352-N356 PolarHBondContact O-N 3.14Å; H352-N356 PolarHBondContact O-ND2 3.25Å; H352-N356 PolarHBondContact O-OD1 3.21Å; H352-Y369 HydrophobicContact CB-CD2 4.09Å
353D72.8Confident69.8Low21 Ų2166.4 Ų66.411%0.11233%0.326CS..Hα-helixtrans-68.7-39-178.2-68-12.7000111.8R349 E350 I351 N356 K357 S358R349-D353 IonicContact NE-OD2 3.85Å; R349-D353 PolarHBondContact O-N 2.82Å; E350-D353 PolarHBondContact O-N 3.09Å; I351-D353 PolarHBondContact O-N 2.95Å; D353-N356 PolarHBondContact O-N 3.39Å; D353-K357 PolarHBondContact O-N 3.14Å; D353-S358 PolarHBondContact O-N 2.61Å; D353-S358 VanDerWaalsContact O-N 3.09Å
354F69.7Low68.6Low140 Ų14071.5 Ų71.561%0.61436%0.357SS*.Hα-helixtrans-61.9-50.7173.9176.8-97.5000112.1E350 I351 N356 K357E350-F354 VanDerWaalsContact O-CB 3.26Å; E350-F354 WeakPolarHBondContact O-CB 2.87Å; E350-F354 PolarHBondContact O-N 2.89Å; I351-F354 PolarHBondContact O-N 3Å; F354-N356 PolarHBondContact O-N 3.04Å; F354-K357 PolarHBondContact O-N 3.42Å
355V69.4Low68Low73 Ų7375.3 Ų75.344%0.44237%0.372SS..Hα-helixtrans-59.8-38178.3169.40000110.6I351 H352 K357I351-V355 HydrophobicContact CG2-CG2 4.18Å; I351-V355 WeakPolarHBondContact O-CB 3.35Å; I351-V355 WeakPolarHBondContact O-CG2 3.23Å; I351-V355 PolarHBondContact O-N 2.7Å; H352-V355 PolarHBondContact O-N 3.25Å; V355-K357 VanDerWaalsContact C-N 3.34Å
356N68.6Low68.2Low21 Ų2175.1 Ų75.111%0.11237%0.374CS..Hα-helixtrans-86.6-4.9-175.5-62.7-0.9000113.8N71 H352 D353 F354 S358N71-N356 WeakPolarHBondContact CB-OD1 3.34Å; H352-N356 PolarHBondContact CE1-ND2 3.27Å; H352-N356 PolarHBondContact ND1-ND2 3.48Å; H352-N356 PolarHBondContact NE2-ND2 3.38Å; H352-N356 VanDerWaalsContact O-CB 3.25Å; H352-N356 WeakPolarHBondContact O-CB 3.21Å; H352-N356 PolarHBondContact O-N 3.14Å; H352-N356 PolarHBondContact O-ND2 3.25Å; H352-N356 PolarHBondContact O-OD1 3.21Å; D353-N356 PolarHBondContact O-N 3.39Å; F354-N356 PolarHBondContact O-N 3.04Å; N356-S358 WeakPolarHBondContact CB-OG 3.03Å; N356-S358 PolarHBondContact O-N 3.14Å; N356-S358 VanDerWaalsContact O-N 3.13Å
357K65.6Low68.5Low165 Ų16575.3 Ų75.372%0.71738%0.376SS*.THydrogen-bonded Turntrans51.230.1-171.1-55.2177.8-177.5175.30112.2D353 F354 V355 N359D353-K357 PolarHBondContact O-N 3.14Å; F354-K357 PolarHBondContact O-N 3.42Å; V355-K357 VanDerWaalsContact C-N 3.34Å; K357-N359 PolarHBondContact O-N 3.18Å
358S64.2Low68.9Low53 Ų5375.9 Ų75.937%0.37138%0.381SS..  trans-71.3127.7178.9-640000108.2D353 N356 P360D353-S358 PolarHBondContact O-N 2.61Å; D353-S358 VanDerWaalsContact O-N 3.09Å; N356-S358 WeakPolarHBondContact CB-OG 3.03Å; N356-S358 PolarHBondContact O-N 3.14Å; N356-S358 VanDerWaalsContact O-N 3.13Å; S358-P360 WeakPolarHBondContact O-CD 3.44Å
359N57.6Low69.3Low104 Ų10474.2 Ų74.256%0.55637%0.371SS*.  trans-77.3110.5171.7-172.7-8000108.2K357 R361K357-N359 PolarHBondContact O-N 3.18Å; N359-R361 PolarHBondContact O-N 3.42Å; N359-R361 PolarHBondContact OD1-N 2.9Å
360P54.7Low70.1Confident44 Ų4473.6 Ų73.629%0.28637%0.368SS..THydrogen-bonded Turntrans-68.1-27.1-173.4-14.530000111.9Y120 S358 N362Y120-P360 HydrophobicContact CD1-CB 2.97Å; Y120-P360 HydrophobicContact CD1-CG 4.13Å; Y120-P360 HydrophobicContact CE1-CB 3.16Å; Y120-P360 WeakPolarHBondContact CE1-O 3.05Å; Y120-P360 HydrophobicContact CG-CB 3.8Å; Y120-P360 PolarHBondContact OH-O 2.9Å; S358-P360 WeakPolarHBondContact O-CD 3.44Å; P360-N362 PolarHBondContact O-N 3.36Å
361R53.8Low71Confident190 Ų19070.1 Ų70.172%0.71735%0.352SS*.THydrogen-bonded Turntrans-69.8-8.4-172.2-64-173.2-170-158.4-0.2115.1N359 S363N359-R361 PolarHBondContact O-N 3.42Å; N359-R361 PolarHBondContact OD1-N 2.9Å; R361-S363 PolarHBondContact O-N 3.4Å
362N53Low72Confident74 Ų7470.3 Ų70.340%0.39635%0.354SS..  trans-93.392.5173-71.4-10.8000110.6P360 T364 Y365P360-N362 PolarHBondContact O-N 3.36Å; N362-T364 PolarHBondContact O-N 2.92Å; N362-Y365 HydrophobicContact CB-CD2 3.24Å; N362-Y365 HydrophobicContact CB-CE2 3.24Å; N362-Y365 HydrophobicContact CB-CG 4.37Å; N362-Y365 VanDerWaalsContact ND2-CE2 3.32Å; N362-Y365 WeakPolarHBondContact ND2-CE2 3.14Å; N362-Y365 WeakPolarHBondContact O-CD2 3.01Å; N362-Y365 PolarHBondContact O-N 3.5Å
363S51.9Low73Confident78 Ų7869.8 Ų69.855%0.54535%0.351SS..THydrogen-bonded Turntrans-64.7-7-176.360.10000116I116 R361I116-S363 WeakPolarHBondContact CG2-O 3.29Å; R361-S363 PolarHBondContact O-N 3.4Å
364T59.3Low74.1Confident109 Ų10968.8 Ų68.867%0.66935%0.345SS*.THydrogen-bonded Turntrans-96.22.9-176.5400000114.5N362N362-T364 PolarHBondContact O-N 2.92Å
365Y72Confident75.5Confident150 Ų15062.9 Ų62.959%0.58832%0.319SS*.SBendtrans-95.2141.4-175.5-69.9-103.7000111.7N362 S367N362-Y365 HydrophobicContact CB-CD2 3.24Å; N362-Y365 HydrophobicContact CB-CE2 3.24Å; N362-Y365 HydrophobicContact CB-CG 4.37Å; N362-Y365 VanDerWaalsContact ND2-CE2 3.32Å; N362-Y365 WeakPolarHBondContact ND2-CE2 3.14Å; N362-Y365 WeakPolarHBondContact O-CD2 3.01Å; N362-Y365 PolarHBondContact O-N 3.5Å; Y365-S367 PolarHBondContact O-N 3.35Å
366F84.5Confident76.7Confident70 Ų7063.1 Ų63.131%0.30732%0.321SS..  trans-56.2127.9168.3168.4-101.1000110.1D86 Y90 P368 M371D86-F366 HydrophobicContact CB-CE2 4.29Å; D86-F366 HydrophobicContact CB-CZ 3.87Å; Y90-F366 HydrophobicContact CD1-CD2 4.36Å; Y90-F366 HydrophobicContact CD2-CB 4.44Å; Y90-F366 AromaticContact CD2-CD2 3.8Å; Y90-F366 HydrophobicContact CD2-CD2 3.8Å; Y90-F366 HydrophobicContact CE2-CB 4.43Å; Y90-F366 AromaticContact CG-CD2 3.67Å; Y90-F366 HydrophobicContact CG-CD2 3.67Å; Y90-F366 HydrophobicContact CG-CE2 4.45Å; F366-P368 HydrophobicContact CD1-CG 4.24Å; F366-P368 HydrophobicContact CE1-CB 4.33Å; F366-P368 HydrophobicContact CE1-CG 3.78Å; F366-M371 HydrophobicContact CE2-CB 3.89Å; F366-M371 HydrophobicContact CE2-CE 4Å; F366-M371 HydrophobicContact CE2-CG 4.02Å; F366-M371 HydrophobicContact CZ-CB 4.1Å; F366-M371 HydrophobicContact CZ-CG 4.28Å
367S86.1Confident78.1Confident16 Ų1662.4 Ų62.411%0.11232%0.318CS..  trans-109.3112.1175.6173.30000110.5Y112 Y365 Y369 C370 M371Y112-S367 PolarHBondContact OH-N 3.27Å; Y365-S367 PolarHBondContact O-N 3.35Å; S367-Y369 VanDerWaalsContact C-N 3.25Å; S367-Y369 PolarHBondContact O-N 2.72Å; S367-C370 PolarHBondContact O-N 3.38Å; S367-C370 PolarHBondContact OG-N 3.18Å; S367-M371 WeakPolarHBondContact O-CB 3.39Å; S367-M371 PolarHBondContact O-N 3.41Å
368P87Confident79.6Confident42 Ų4254.6 Ų54.627%0.27328%0.284SS..Hα-helixtrans-56.5-37.9173.9-2431.6000113F366 M371 N372F366-P368 HydrophobicContact CD1-CG 4.24Å; F366-P368 HydrophobicContact CE1-CB 4.33Å; F366-P368 HydrophobicContact CE1-CG 3.78Å; P368-M371 PolarHBondContact O-N 3.27Å; P368-N372 WeakPolarHBondContact O-CB 3.47Å; P368-N372 VanDerWaalsContact O-CG 3.3Å; P368-N372 PolarHBondContact O-N 3Å; P368-N372 PolarHBondContact O-ND2 3.32Å
369Y87.2Confident81.2Confident26 Ų2652.9 Ų52.910%0.10227%0.271CS..Hα-helixtrans-61.6-53.2176.3175.4-93.9000111.6R345 D348 R349 H352 S367 M371 N372 R373R345-Y369 PolarHBondContact O-OH 3.35Å; D348-Y369 HydrophobicContact CB-CE2 4.2Å; R349-Y369 HydrophobicContact CB-CD1 4.06Å; R349-Y369 HydrophobicContact CB-CE1 3.55Å; R349-Y369 HydrophobicContact CB-CE2 4.21Å; R349-Y369 HydrophobicContact CG-CD1 3.83Å; R349-Y369 HydrophobicContact CG-CE1 3.77Å; R349-Y369 HydrophobicContact CG-CG 4.44Å; H352-Y369 HydrophobicContact CB-CD2 4.09Å; S367-Y369 VanDerWaalsContact C-N 3.25Å; S367-Y369 PolarHBondContact O-N 2.72Å; Y369-M371 VanDerWaalsContact C-N 3.27Å; Y369-M371 PolarHBondContact O-N 3.02Å; Y369-N372 PolarHBondContact O-N 2.9Å; Y369-N372 VanDerWaalsContact O-N 3.12Å; Y369-R373 HydrophobicContact CE1-CG 4.39Å; Y369-R373 PolarHBondContact O-N 2.89Å
370C92.1Very high83Confident0 Ų048.7 Ų48.70%025%0.247CC..Hα-helixtrans-65-32.5179.8-69.50000112.1Y112 C115 I116 S367 R373 V374Y112-C370 HydrophobicContact CD2-CB 3.88Å; Y112-C370 HydrophobicContact CE2-CB 3.66Å; C115-C370 HydrophobicContact CB-CB 3.73Å; C115-C370 WeakPolarHBondContact CB-SG 3.41Å; C115-C370 WeakPolarHBondContact SG-CA 3.39Å; C115-C370 WeakPolarHBondContact SG-CB 3.47Å; C115-C370 CovalentContact SG-SG 2.05Å; C115-C370 PolarHBondContact SG-SG 2.88Å; I116-C370 HydrophobicContact CD1-CB 4.08Å; S367-C370 PolarHBondContact O-N 3.38Å; S367-C370 PolarHBondContact OG-N 3.18Å; C370-R373 PolarHBondContact O-N 2.97Å; C370-V374 WeakPolarHBondContact O-CA 3.25Å; C370-V374 PolarHBondContact O-N 2.94Å
371M94.5Very high85.1Confident0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-68.8-36.4173-173.752.66800112.5D86 F89 Y90 I93 Y112 F366 S367 P368 Y369 V374 K375D86-M371 HydrophobicContact CB-CG 3.92Å; F89-M371 HydrophobicContact CB-CE 3.91Å; F89-M371 HydrophobicContact CB-SD 3.63Å; F89-M371 HydrophobicContact CD2-SD 4.42Å; Y90-M371 VanDerWaalsContact N-CE 3.33Å; I93-M371 HydrophobicContact CD1-CE 4.18Å; Y112-M371 HydrophobicContact CE2-CE 4.18Å; F366-M371 HydrophobicContact CE2-CB 3.89Å; F366-M371 HydrophobicContact CE2-CE 4Å; F366-M371 HydrophobicContact CE2-CG 4.02Å; F366-M371 HydrophobicContact CZ-CB 4.1Å; F366-M371 HydrophobicContact CZ-CG 4.28Å; S367-M371 WeakPolarHBondContact O-CB 3.39Å; S367-M371 PolarHBondContact O-N 3.41Å; P368-M371 PolarHBondContact O-N 3.27Å; Y369-M371 VanDerWaalsContact C-N 3.27Å; Y369-M371 PolarHBondContact O-N 3.02Å; M371-V374 WeakPolarHBondContact O-CA 3.37Å; M371-V374 PolarHBondContact O-N 3.25Å; M371-K375 WeakPolarHBondContact O-CG 3.42Å; M371-K375 PolarHBondContact O-N 3.32Å
372N93.8Very high87.2Confident67 Ų6737.5 Ų37.536%0.35820%0.2SC..Hα-helixtrans-67.9-38.1173.9-76.8-27000112P368 Y369 K375 T376P368-N372 WeakPolarHBondContact O-CB 3.47Å; P368-N372 VanDerWaalsContact O-CG 3.3Å; P368-N372 PolarHBondContact O-N 3Å; P368-N372 PolarHBondContact O-ND2 3.32Å; Y369-N372 PolarHBondContact O-N 2.9Å; Y369-N372 VanDerWaalsContact O-N 3.12Å; N372-K375 WeakPolarHBondContact OD1-CE 3.42Å; N372-K375 PolarHBondContact OD1-NZ 3.46Å; N372-T376 WeakPolarHBondContact O-CB 3.29Å; N372-T376 PolarHBondContact O-N 3.27Å; N372-T376 PolarHBondContact O-OG1 3.48Å
373R94.6Very high89.3Confident22 Ų2234 Ų348%0.08318%0.181CC..Hα-helixtrans-62.3-50.2169.1-97.6-54.8-51.3105.735.7111.4F111 Y369 C370 K375 T376 V377 E470F111-R373 HydrophobicContact CE1-CB 4.26Å; Y369-R373 HydrophobicContact CE1-CG 4.39Å; Y369-R373 PolarHBondContact O-N 2.89Å; C370-R373 PolarHBondContact O-N 2.97Å; R373-K375 PolarHBondContact O-N 2.69Å; R373-T376 VanDerWaalsContact NH1-CB 3.25Å; R373-T376 PolarHBondContact O-N 2.96Å; R373-V377 PolarHBondContact O-N 3.25Å; R373-V377 VanDerWaalsContact O-N 3.08Å; R373-E470 WeakPolarHBondContact CD-OE1 3.04Å; R373-E470 IonicContact CZ-OE1 3.59Å; R373-E470 IonicContact NE-OE1 3.21Å; R373-E470 PolarHBondContact NE-OE1 3.44Å; R373-E470 IonicContact NE-OE2 3.8Å; R373-E470 PolarHBondContact NE-OE2 2.9Å; R373-E470 VanDerWaalsContact NE-OE2 3.12Å
374V97.5Very high91.4Very high0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-12.5-85152.7-168.20000114.9I93 T108 F111 C370 M371 T376 V377 F378 L382I93-V374 HydrophobicContact CD1-CG1 3.71Å; T108-V374 HydrophobicContact CG2-CG1 3.42Å; T108-V374 VanDerWaalsContact CG2-CG1 3.42Å; F111-V374 HydrophobicContact CB-CG2 4.41Å; F111-V374 HydrophobicContact CD1-CG2 3.47Å; F111-V374 VanDerWaalsContact CD1-CG2 3.47Å; F111-V374 HydrophobicContact CE1-CG2 4.19Å; F111-V374 HydrophobicContact CG-CG2 4.29Å; C370-V374 WeakPolarHBondContact O-CA 3.25Å; C370-V374 PolarHBondContact O-N 2.94Å; M371-V374 WeakPolarHBondContact O-CA 3.37Å; M371-V374 PolarHBondContact O-N 3.25Å; V374-T376 VanDerWaalsContact C-N 3.25Å; V374-T376 PolarHBondContact O-N 2.9Å; V374-V377 PolarHBondContact O-N 3.02Å; V374-F378 HydrophobicContact CB-CD2 4.48Å; V374-F378 HydrophobicContact CG1-CD2 4.18Å; V374-F378 HydrophobicContact CG2-CD2 3.98Å; V374-F378 HydrophobicContact CG2-CE2 4.2Å; V374-F378 PolarHBondContact O-N 2.91Å; V374-L382 HydrophobicContact CG1-CD1 4.07Å; V374-L382 HydrophobicContact CG1-CD2 4.4Å
375K97.5Very high93.3Very high17 Ų1727.1 Ų27.17%0.07413%0.132CC..Hα-helixtrans-55.1-34.2179.1-70.1-176.9-64.7-170.70113.8E82 D86 F89 M371 N372 R373 P379 L382 Y500E82-K375 IonicContact OE1-NZ 3.54Å; D86-K375 VanDerWaalsContact OD1-CD 3.27Å; D86-K375 WeakPolarHBondContact OD1-CD 3.42Å; D86-K375 WeakPolarHBondContact OD1-CE 3.46Å; D86-K375 IonicContact OD1-NZ 3.8Å; D86-K375 PolarHBondContact OD1-NZ 3.25Å; D86-K375 IonicContact OD2-NZ 2.82Å; D86-K375 PolarHBondContact OD2-NZ 2.92Å; F89-K375 HydrophobicContact CD2-CD 4.25Å; F89-K375 HydrophobicContact CD2-CG 4.15Å; F89-K375 HydrophobicContact CE2-CD 4.21Å; F89-K375 HydrophobicContact CE2-CG 4.22Å; M371-K375 WeakPolarHBondContact O-CG 3.42Å; M371-K375 PolarHBondContact O-N 3.32Å; N372-K375 WeakPolarHBondContact OD1-CE 3.42Å; N372-K375 PolarHBondContact OD1-NZ 3.46Å; R373-K375 PolarHBondContact O-N 2.69Å; K375-P379 WeakPolarHBondContact O-CA 3.33Å; K375-P379 VanDerWaalsContact O-CB 3.28Å; K375-P379 WeakPolarHBondContact O-CB 3.29Å; K375-P379 WeakPolarHBondContact O-CD 3.48Å; K375-L382 HydrophobicContact CB-CD1 4.25Å; K375-L382 HydrophobicContact CG-CD1 3.7Å; K375-Y500 WeakPolarHBondContact CB-OH 3.37Å; K375-Y500 HydrophobicContact CD-CE2 4Å; K375-Y500 HydrophobicContact CG-CE2 4.28Å
376T95.7Very high94.5Very high77 Ų7720 Ų2047%0.47210%0.104SC..Hα-helixtrans-75.3-35.9-175.9-62.50000113.1N372 R373 V374 M477N372-T376 WeakPolarHBondContact O-CB 3.29Å; N372-T376 PolarHBondContact O-N 3.27Å; N372-T376 PolarHBondContact O-OG1 3.48Å; R373-T376 VanDerWaalsContact NH1-CB 3.25Å; R373-T376 PolarHBondContact O-N 2.96Å; V374-T376 VanDerWaalsContact C-N 3.25Å; V374-T376 PolarHBondContact O-N 2.9Å; T376-M477 HydrophobicContact CG2-CE 3.58Å; T376-M477 HydrophobicContact CG2-SD 4.15Å
377V97.2Very high95.1Very high7 Ų716.8 Ų16.84%0.0429%0.09CC..Hα-helixtrans-98.9-29.9179.7160.90000114.2R373 V374 P379 I456 A473 M477R373-V377 PolarHBondContact O-N 3.25Å; R373-V377 VanDerWaalsContact O-N 3.08Å; V374-V377 PolarHBondContact O-N 3.02Å; V377-P379 VanDerWaalsContact O-CD 3.25Å; V377-P379 WeakPolarHBondContact O-CD 3.38Å; V377-I456 HydrophobicContact CG1-CB 4.02Å; V377-I456 HydrophobicContact CG1-CD1 3.91Å; V377-I456 HydrophobicContact CG1-CG1 3.51Å; V377-I456 HydrophobicContact CG1-CG2 4.24Å; V377-A473 HydrophobicContact CG2-CB 3.56Å; V377-M477 HydrophobicContact CG2-CG 4.22Å; V377-M477 HydrophobicContact CG2-SD 3.72Å
378F98Very high95.6Very high1 Ų120.4 Ų20.40%0.00411%0.112CC..SBendtrans-114.843.3179-50.7-81.2000112.5T107 T108 F111 V374 W380 T381 L382 I456 Y457T107-F378 HydrophobicContact CG2-CE1 4.18Å; T108-F378 HydrophobicContact CG2-CB 3.89Å; T108-F378 HydrophobicContact CG2-CD2 3.89Å; T108-F378 HydrophobicContact CG2-CG 3.89Å; T108-F378 WeakPolarHBondContact OG1-CD1 3.35Å; T108-F378 WeakPolarHBondContact OG1-CG 3.05Å; F111-F378 HydrophobicContact CB-CE2 3.42Å; F111-F378 VanDerWaalsContact CB-CE2 3.42Å; F111-F378 HydrophobicContact CB-CZ 3.71Å; F111-F378 AromaticContact CD1-CE2 3.89Å; F111-F378 HydrophobicContact CD1-CE2 3.89Å; F111-F378 AromaticContact CD2-CE2 3.67Å; F111-F378 HydrophobicContact CD2-CE2 3.67Å; F111-F378 AromaticContact CD2-CZ 3.78Å; F111-F378 HydrophobicContact CD2-CZ 3.78Å; F111-F378 HydrophobicContact CE2-CE2 4.4Å; F111-F378 AromaticContact CG-CE2 3.38Å; F111-F378 HydrophobicContact CG-CE2 3.38Å; F111-F378 AromaticContact CG-CZ 3.86Å; F111-F378 HydrophobicContact CG-CZ 3.86Å; V374-F378 HydrophobicContact CB-CD2 4.48Å; V374-F378 HydrophobicContact CG1-CD2 4.18Å; V374-F378 HydrophobicContact CG2-CD2 3.98Å; V374-F378 HydrophobicContact CG2-CE2 4.2Å; V374-F378 PolarHBondContact O-N 2.91Å; F378-W380 PolarHBondContact O-N 2.9Å; F378-T381 PolarHBondContact O-N 3.47Å; F378-L382 WeakPolarHBondContact O-CG 3.38Å; F378-L382 PolarHBondContact O-N 3.34Å; F378-I456 HydrophobicContact CD1-CG2 3.98Å; F378-I456 HydrophobicContact CE1-CB 4.41Å; F378-I456 HydrophobicContact CE1-CG1 3.76Å; F378-I456 HydrophobicContact CE1-CG2 3.72Å; F378-I456 HydrophobicContact CZ-CG1 3.94Å; F378-Y457 HydrophobicContact CD1-CE1 4.07Å; F378-Y457 AromaticContact CD1-CZ 3.91Å; F378-Y457 WeakPolarHBondContact CD1-OH 3.43Å; F378-Y457 HydrophobicContact CE1-CE1 4.05Å
379P96.8Very high96Very high16 Ų1621.9 Ų21.910%0.10412%0.123CC..Hα-helixtrans-60.5-33.9-17524.2-32.6000112.3K375 V377 E383 P498 Y500K375-P379 WeakPolarHBondContact O-CA 3.33Å; K375-P379 VanDerWaalsContact O-CB 3.28Å; K375-P379 WeakPolarHBondContact O-CB 3.29Å; K375-P379 WeakPolarHBondContact O-CD 3.48Å; V377-P379 VanDerWaalsContact O-CD 3.25Å; V377-P379 WeakPolarHBondContact O-CD 3.38Å; P379-E383 VanDerWaalsContact O-CB 3.26Å; P379-E383 WeakPolarHBondContact O-CB 3.37Å; P379-E383 PolarHBondContact O-N 3.43Å; P379-P498 HydrophobicContact CB-CB 4.19Å; P379-P498 HydrophobicContact CB-CG 3.93Å; P379-Y500 WeakPolarHBondContact O-CE1 3.46Å
380W96Very high96.4Very high16 Ų1622.5 Ų22.56%0.06113%0.126CC..Hα-helixtrans-78.5-36.7-173.3-48125.6000113F378 E383 K384 R450 E451 R484 D496 P498F378-W380 PolarHBondContact O-N 2.9Å; W380-E383 VanDerWaalsContact CE3-OE2 3.3Å; W380-E383 PolarHBondContact O-N 3.06Å; W380-K384 WeakPolarHBondContact O-CB 3.4Å; W380-K384 PolarHBondContact O-N 3.47Å; W380-R450 HydrophobicContact CB-CB 4.14Å; W380-R450 HydrophobicContact CD2-CB 3.74Å; W380-R450 HydrophobicContact CE3-CB 4.33Å; W380-R450 HydrophobicContact CG-CB 3.6Å; W380-E451 HydrophobicContact CB-CB 3.99Å; W380-R484 VanDerWaalsContact CZ2-NH2 3.32Å; W380-D496 WeakPolarHBondContact CH2-O 3.31Å; W380-P498 HydrophobicContact CZ3-CB 4.18Å
381T97.9Very high96.6Very high0 Ų023.5 Ų23.50%013%0.132CC..Hα-helixtrans-61.4-48.3170.4-54.60000111.1H104 L105 F378 E383 K384 H385 E451 Y457H104-T381 HydrophobicContact CB-CG2 4.34Å; L105-T381 HydrophobicContact CB-CG2 4.24Å; L105-T381 HydrophobicContact CD1-CG2 4.2Å; F378-T381 PolarHBondContact O-N 3.47Å; T381-E383 VanDerWaalsContact C-N 3.33Å; T381-E383 PolarHBondContact O-N 3.37Å; T381-K384 PolarHBondContact O-N 2.91Å; T381-H385 PolarHBondContact O-CD2 2.89Å; T381-H385 VanDerWaalsContact O-CD2 3.22Å; T381-H385 PolarHBondContact O-N 3.38Å; T381-E451 WeakPolarHBondContact CA-OE1 3.36Å; T381-E451 WeakPolarHBondContact CB-OE1 3.38Å; T381-E451 WeakPolarHBondContact CG2-OE1 3.03Å; T381-E451 PolarHBondContact OG1-OE1 2.75Å; T381-Y457 PolarHBondContact OG1-OH 3.38Å
382L98.3Very high96.6Very high0 Ų026.9 Ų26.90%015%0.152CC..Hα-helixtrans-61.9-42.9177.5-64.4-175000111.3F89 I93 V374 K375 F378 H385 F386 Y500F89-L382 HydrophobicContact CB-CD2 4.27Å; F89-L382 HydrophobicContact CD1-CB 4Å; F89-L382 HydrophobicContact CD1-CD1 4.42Å; F89-L382 HydrophobicContact CD1-CD2 3.79Å; F89-L382 HydrophobicContact CD1-CG 4.27Å; F89-L382 HydrophobicContact CD2-CD1 3.94Å; F89-L382 HydrophobicContact CE1-CB 3.61Å; F89-L382 HydrophobicContact CE1-CD2 4.31Å; F89-L382 HydrophobicContact CE1-CG 4.37Å; F89-L382 WeakPolarHBondContact CE1-O 3.2Å; F89-L382 HydrophobicContact CE2-CB 4.22Å; F89-L382 HydrophobicContact CE2-CD1 4.11Å; F89-L382 HydrophobicContact CG-CB 4.49Å; F89-L382 HydrophobicContact CG-CD1 4.12Å; F89-L382 HydrophobicContact CG-CD2 4Å; F89-L382 HydrophobicContact CG-CG 4.43Å; F89-L382 HydrophobicContact CZ-CB 3.75Å; F89-L382 HydrophobicContact CZ-CD1 4.46Å; I93-L382 HydrophobicContact CD1-CD2 4.19Å; V374-L382 HydrophobicContact CG1-CD1 4.07Å; V374-L382 HydrophobicContact CG1-CD2 4.4Å; K375-L382 HydrophobicContact CB-CD1 4.25Å; K375-L382 HydrophobicContact CG-CD1 3.7Å; F378-L382 WeakPolarHBondContact O-CG 3.38Å; F378-L382 PolarHBondContact O-N 3.34Å; L382-H385 PolarHBondContact O-N 2.85Å; L382-F386 VanDerWaalsContact O-CB 3.27Å; L382-F386 WeakPolarHBondContact O-CB 3.35Å; L382-F386 PolarHBondContact O-N 3.09Å; L382-Y500 HydrophobicContact CB-CE1 3.93Å
383E97.5Very high96.5Very high0 Ų029.3 Ų29.30%016%0.162CC..Hα-helixtrans-63.7-43.1177-172.3-175.9-137.100113P379 W380 T381 H385 F386 L387 S442 S447 R450 P498 T499 Y500P379-E383 VanDerWaalsContact O-CB 3.26Å; P379-E383 WeakPolarHBondContact O-CB 3.37Å; P379-E383 PolarHBondContact O-N 3.43Å; W380-E383 VanDerWaalsContact CE3-OE2 3.3Å; W380-E383 PolarHBondContact O-N 3.06Å; T381-E383 VanDerWaalsContact C-N 3.33Å; T381-E383 PolarHBondContact O-N 3.37Å; E383-H385 VanDerWaalsContact C-N 3.33Å; E383-H385 PolarHBondContact O-N 3.24Å; E383-F386 PolarHBondContact O-N 3.47Å; E383-L387 HydrophobicContact CG-CD1 3.77Å; E383-L387 HydrophobicContact CG-CG 3.97Å; E383-L387 WeakPolarHBondContact O-CB 3.47Å; E383-L387 VanDerWaalsContact O-CG 3.26Å; E383-L387 WeakPolarHBondContact O-CG 3.4Å; E383-L387 PolarHBondContact O-N 2.89Å; E383-S442 VanDerWaalsContact OE1-CB 3.3Å; E383-S442 WeakPolarHBondContact OE1-CB 3.26Å; E383-S442 PolarHBondContact OE2-OG 3.1Å; E383-S447 WeakPolarHBondContact CG-OG 3.38Å; E383-S447 PolarHBondContact OE2-OG 2.67Å; E383-R450 IonicContact OE1-NH2 3.69Å; E383-R450 IonicContact OE2-CZ 3.64Å; E383-R450 IonicContact OE2-NH2 3.45Å; E383-R450 PolarHBondContact OE2-NH2 2.99Å; E383-P498 HydrophobicContact CB-CB 4.29Å; E383-T499 WeakPolarHBondContact OE1-CB 3.46Å; E383-T499 PolarHBondContact OE1-N 2.99Å; E383-T499 PolarHBondContact OE1-OG1 3.34Å; E383-Y500 HydrophobicContact CB-CD1 3.87Å; E383-Y500 HydrophobicContact CB-CE1 4.2Å; E383-Y500 HydrophobicContact CG-CD1 4.4Å
384K96.9Very high96.5Very high30 Ų3033.7 Ų33.713%0.1319%0.187CC..Hα-helixtrans-54-50.2175.8173.6-166.7176.5-174.20111D102 W380 T381 T388 V444 E448 E451D102-K384 IonicContact OD2-NZ 3.55Å; D102-K384 PolarHBondContact OD2-NZ 3.23Å; W380-K384 WeakPolarHBondContact O-CB 3.4Å; W380-K384 PolarHBondContact O-N 3.47Å; T381-K384 PolarHBondContact O-N 2.91Å; K384-T388 WeakPolarHBondContact O-CB 3.43Å; K384-T388 PolarHBondContact O-N 2.96Å; K384-T388 PolarHBondContact O-OG1 2.79Å; K384-V444 HydrophobicContact CG-CG1 4.1Å; K384-E448 HydrophobicContact CD-CG 3.76Å; K384-E448 WeakPolarHBondContact CE-OE1 3.27Å; K384-E448 HydrophobicContact CG-CG 4.01Å; K384-E451 IonicContact NZ-OE2 3.51Å; K384-E451 PolarHBondContact NZ-OE2 2.82Å
385H97.8Very high96.3Very high13 Ų1334.3 Ų34.36%0.0619%0.19CC..Hα-helixtrans-67.4-44.4177.5-73.9-71.5000112.2Y88 I92 Y98 D102 T381 L382 E383 L387 T388 S389Y88-H385 VanDerWaalsContact OH-C 3.24Å; Y88-H385 PolarHBondContact OH-O 3.42Å; I92-H385 HydrophobicContact CD1-CB 3.72Å; Y98-H385 AromaticContact CE1-CE1 3.69Å; Y98-H385 AromaticContact CE1-ND1 3.4Å; Y98-H385 WeakPolarHBondContact CE1-ND1 3.16Å; Y98-H385 AromaticContact CZ-ND1 3.71Å; Y98-H385 PolarHBondContact OH-ND1 3.12Å; Y98-H385 VanDerWaalsContact OH-ND1 3.16Å; D102-H385 IonicContact OD2-CE1 3.6Å; D102-H385 IonicContact OD2-NE2 3.11Å; T381-H385 PolarHBondContact O-CD2 2.89Å; T381-H385 VanDerWaalsContact O-CD2 3.22Å; T381-H385 PolarHBondContact O-N 3.38Å; L382-H385 PolarHBondContact O-N 2.85Å; E383-H385 VanDerWaalsContact C-N 3.33Å; E383-H385 PolarHBondContact O-N 3.24Å; H385-L387 PolarHBondContact O-N 3.24Å; H385-T388 PolarHBondContact O-N 2.98Å; H385-S389 PolarHBondContact O-N 3.2Å
386F98.3Very high96.1Very high0 Ų035.6 Ų35.60%019%0.194CC..Hα-helixtrans-57.3-51.7178.3-176.8-89.5000112T85 Y88 F89 L382 E383 T388 S389 H390 Y500 A517T85-F386 HydrophobicContact CG2-CD2 4.09Å; T85-F386 HydrophobicContact CG2-CE2 3.93Å; Y88-F386 HydrophobicContact CD1-CD2 4.15Å; Y88-F386 HydrophobicContact CE1-CB 4.25Å; Y88-F386 HydrophobicContact CE1-CD2 4.27Å; F89-F386 HydrophobicContact CE1-CB 3.97Å; F89-F386 HydrophobicContact CE1-CD2 4.3Å; F89-F386 HydrophobicContact CZ-CB 4.23Å; F89-F386 HydrophobicContact CZ-CD2 4.25Å; L382-F386 VanDerWaalsContact O-CB 3.27Å; L382-F386 WeakPolarHBondContact O-CB 3.35Å; L382-F386 PolarHBondContact O-N 3.09Å; E383-F386 PolarHBondContact O-N 3.47Å; F386-T388 VanDerWaalsContact C-N 3.31Å; F386-T388 PolarHBondContact O-N 2.92Å; F386-S389 PolarHBondContact O-N 3.44Å; F386-S389 VanDerWaalsContact O-N 3.1Å; F386-H390 HydrophobicContact CD1-CB 4.3Å; F386-H390 AromaticContact CD2-CE1 3.61Å; F386-H390 AromaticContact CD2-ND1 3.43Å; F386-H390 WeakPolarHBondContact CD2-ND1 3.33Å; F386-H390 HydrophobicContact CE1-CB 3.87Å; F386-H390 HydrophobicContact CE2-CB 4.42Å; F386-H390 AromaticContact CE2-CD2 3.91Å; F386-H390 AromaticContact CE2-CE1 3.62Å; F386-H390 AromaticContact CE2-CG 3.71Å; F386-H390 AromaticContact CE2-ND1 3.52Å; F386-H390 AromaticContact CE2-NE2 3.88Å; F386-H390 AromaticContact CG-ND1 3.77Å; F386-H390 HydrophobicContact CZ-CB 3.93Å; F386-H390 AromaticContact CZ-CG 3.7Å; F386-H390 AromaticContact CZ-ND1 3.93Å; F386-H390 WeakPolarHBondContact O-CB 3.36Å; F386-H390 PolarHBondContact O-N 3.01Å; F386-H390 PolarHBondContact O-ND1 3.39Å; F386-Y500 VanDerWaalsContact CG-CB 3.48Å; F386-A517 HydrophobicContact CD1-CB 4.43Å; F386-A517 HydrophobicContact CE1-CB 3.92Å
387L97.4Very high96.1Very high3 Ų336 Ų362%0.01619%0.193CC..Hα-helixtrans-60.9-41.7-179.3-70177.6000111.2E383 H385 S389 I391 S442 V444 A517E383-L387 HydrophobicContact CG-CD1 3.77Å; E383-L387 HydrophobicContact CG-CG 3.97Å; E383-L387 WeakPolarHBondContact O-CB 3.47Å; E383-L387 VanDerWaalsContact O-CG 3.26Å; E383-L387 WeakPolarHBondContact O-CG 3.4Å; E383-L387 PolarHBondContact O-N 2.89Å; H385-L387 PolarHBondContact O-N 3.24Å; L387-S389 PolarHBondContact O-N 3.05Å; L387-I391 HydrophobicContact CD2-CB 4.41Å; L387-I391 HydrophobicContact CD2-CG1 3.78Å; L387-I391 WeakPolarHBondContact O-CB 3.46Å; L387-I391 PolarHBondContact O-N 2.91Å; L387-S442 WeakPolarHBondContact CD1-O 3.48Å; L387-V444 HydrophobicContact CB-CG2 4.04Å; L387-A517 HydrophobicContact CD2-CB 3.65Å
388T96.1Very high96Very high92 Ų9238.7 Ų38.756%0.56421%0.205SC*.Hα-helixtrans-60.5-36.5176.5-57.20000111.9K384 H385 F386K384-T388 WeakPolarHBondContact O-CB 3.43Å; K384-T388 PolarHBondContact O-N 2.96Å; K384-T388 PolarHBondContact O-OG1 2.79Å; H385-T388 PolarHBondContact O-N 2.98Å; F386-T388 VanDerWaalsContact C-N 3.31Å; F386-T388 PolarHBondContact O-N 2.92Å
389S95.6Very high95.9Very high72 Ų7238.8 Ų38.850%0.50321%0.206SC..Hα-helixtrans-86.7-30.7-177.1-172.80000114.3Y88 H385 F386 L387Y88-S389 WeakPolarHBondContact OH-CB 3.39Å; H385-S389 PolarHBondContact O-N 3.2Å; F386-S389 PolarHBondContact O-N 3.44Å; F386-S389 VanDerWaalsContact O-N 3.1Å; L387-S389 PolarHBondContact O-N 3.05Å
390H95.3Very high95.9Very high39 Ų3941.9 Ų41.918%0.18122%0.219CC..Hα-helixtrans-112.6-17.1-167.6-63.481.4000114.2Y88 F386 Q395Y88-H390 AromaticContact CD1-CE1 3.92Å; Y88-H390 AromaticContact CD2-CE1 3.72Å; Y88-H390 AromaticContact CE2-CE1 3.8Å; Y88-H390 AromaticContact CG-CE1 3.78Å; Y88-H390 AromaticContact CZ-CE1 3.96Å; F386-H390 HydrophobicContact CD1-CB 4.3Å; F386-H390 AromaticContact CD2-CE1 3.61Å; F386-H390 AromaticContact CD2-ND1 3.43Å; F386-H390 WeakPolarHBondContact CD2-ND1 3.33Å; F386-H390 HydrophobicContact CE1-CB 3.87Å; F386-H390 HydrophobicContact CE2-CB 4.42Å; F386-H390 AromaticContact CE2-CD2 3.91Å; F386-H390 AromaticContact CE2-CE1 3.62Å; F386-H390 AromaticContact CE2-CG 3.71Å; F386-H390 AromaticContact CE2-ND1 3.52Å; F386-H390 AromaticContact CE2-NE2 3.88Å; F386-H390 AromaticContact CG-ND1 3.77Å; F386-H390 HydrophobicContact CZ-CB 3.93Å; F386-H390 AromaticContact CZ-CG 3.7Å; F386-H390 AromaticContact CZ-ND1 3.93Å; F386-H390 WeakPolarHBondContact O-CB 3.36Å; F386-H390 PolarHBondContact O-N 3.01Å; F386-H390 PolarHBondContact O-ND1 3.39Å; H390-Q395 PolarHBondContact O-OE1 3.29Å; H390-Q395 VanDerWaalsContact O-OE1 3.04Å
391I95.6Very high95.9Very high22 Ų2246.4 Ų46.411%0.11324%0.241CC..  trans-126.8117.5-170.3-52-64.5000111.5L387 F440 A517 M520L387-I391 HydrophobicContact CD2-CB 4.41Å; L387-I391 HydrophobicContact CD2-CG1 3.78Å; L387-I391 WeakPolarHBondContact O-CB 3.46Å; L387-I391 PolarHBondContact O-N 2.91Å; I391-F440 HydrophobicContact CD1-CD2 4.11Å; I391-F440 HydrophobicContact CD1-CE2 4.15Å; I391-F440 HydrophobicContact CD1-CG 4.49Å; I391-F440 HydrophobicContact CG2-CD2 3.99Å; I391-A517 HydrophobicContact CD1-CB 3.79Å; I391-A517 HydrophobicContact CG1-CB 3.87Å; I391-M520 HydrophobicContact CD1-CB 3.56Å; I391-M520 HydrophobicContact CD1-CG 3.41Å; I391-M520 VanDerWaalsContact CD1-CG 3.41Å
392T94.1Very high95.9Very high71 Ų7146.5 Ų46.544%0.43624%0.241SC..  trans-99.7163.8166.872.40000111.2D394 Q395 R396T392-D394 VanDerWaalsContact C-N 3.27Å; T392-D394 PolarHBondContact O-N 2.75Å; T392-Q395 PolarHBondContact O-N 3.47Å; T392-Q395 WeakPolarHBondContact OG1-CG 3.33Å; T392-Q395 PolarHBondContact OG1-N 3.09Å; T392-Q395 VanDerWaalsContact OG1-N 3.14Å; T392-Q395 PolarHBondContact OG1-OE1 2.87Å; T392-R396 PolarHBondContact O-N 3.24Å; T392-R396 VanDerWaalsContact O-N 3.17Å
393Q93.2Very high95.9Very high118 Ų11846.5 Ų46.555%0.55124%0.241SC*.Hα-helixtrans-65.3-34.1173.9-172.957.940.900111.6R396 N397Q393-R396 WeakPolarHBondContact O-CB 3.4Å; Q393-R396 PolarHBondContact O-N 3.15Å; Q393-N397 PolarHBondContact NE2-OD1 3.41Å; Q393-N397 PolarHBondContact O-N 2.73Å; Q393-N397 PolarHBondContact O-ND2 3.41Å; Q393-N397 PolarHBondContact O-OD1 3Å
394D93.4Very high95.9Very high113 Ų11350.3 Ų50.360%0.60426%0.259SS*.Hα-helixtrans-64.4-46.7177-64.8-25000111.4T392 R396 N397 E398T392-D394 VanDerWaalsContact C-N 3.27Å; T392-D394 PolarHBondContact O-N 2.75Å; D394-R396 PolarHBondContact O-N 3.27Å; D394-N397 CarbonylContact O-C 3.54Å; D394-N397 WeakPolarHBondContact O-CB 3.38Å; D394-N397 PolarHBondContact O-N 3.25Å; D394-N397 VanDerWaalsContact O-N 3.09Å; D394-E398 WeakPolarHBondContact O-CG 3.32Å; D394-E398 PolarHBondContact O-N 2.97Å
395Q93.7Very high95.9Very high14 Ų1450.1 Ų50.17%0.06526%0.259CS..Hα-helixtrans-56.9-39.6173.7-78175.6-48.700112.2H390 T392 E398 V399 M520H390-Q395 PolarHBondContact O-OE1 3.29Å; H390-Q395 VanDerWaalsContact O-OE1 3.04Å; T392-Q395 PolarHBondContact O-N 3.47Å; T392-Q395 WeakPolarHBondContact OG1-CG 3.33Å; T392-Q395 PolarHBondContact OG1-N 3.09Å; T392-Q395 VanDerWaalsContact OG1-N 3.14Å; T392-Q395 PolarHBondContact OG1-OE1 2.87Å; Q395-E398 PolarHBondContact O-N 2.89Å; Q395-V399 WeakPolarHBondContact O-CG2 3.36Å; Q395-V399 PolarHBondContact O-N 2.88Å; Q395-M520 HydrophobicContact CB-CE 3.7Å; Q395-M520 HydrophobicContact CG-CE 3.88Å
396R94.5Very high95.9Very high44 Ų4449.5 Ų49.517%0.16626%0.256CS..Hα-helixtrans-65.9-40.3178.2-162.7178.1-82.8-98.54.8111.3T392 Q393 D394 Q400 I439 F440 S442T392-R396 PolarHBondContact O-N 3.24Å; T392-R396 VanDerWaalsContact O-N 3.17Å; Q393-R396 WeakPolarHBondContact O-CB 3.4Å; Q393-R396 PolarHBondContact O-N 3.15Å; D394-R396 PolarHBondContact O-N 3.27Å; R396-Q400 PolarHBondContact O-N 3.06Å; R396-I439 PolarHBondContact NH1-O 3.32Å; R396-F440 HydrophobicContact CG-CD2 4.16Å; R396-F440 PolarHBondContact NH1-O 3.26Å; R396-F440 PolarHBondContact NH2-O 2.95Å; R396-S442 PolarHBondContact NH2-O 3.02Å
397N95.3Very high95.9Very high84 Ų8450.5 Ų50.545%0.44926%0.26SS..Hα-helixtrans-68.1-39.9174.7-63.7-17.8000111.7Q393 D394 Q400 Q401Q393-N397 PolarHBondContact NE2-OD1 3.41Å; Q393-N397 PolarHBondContact O-N 2.73Å; Q393-N397 PolarHBondContact O-ND2 3.41Å; Q393-N397 PolarHBondContact O-OD1 3Å; D394-N397 CarbonylContact O-C 3.54Å; D394-N397 WeakPolarHBondContact O-CB 3.38Å; D394-N397 PolarHBondContact O-N 3.25Å; D394-N397 VanDerWaalsContact O-N 3.09Å; N397-Q400 WeakPolarHBondContact O-CB 3.44Å; N397-Q400 PolarHBondContact O-N 2.9Å; N397-Q401 PolarHBondContact O-N 3.39Å
398E94Very high95.9Very high64 Ų6453.7 Ų53.730%0.29928%0.282SS..Hα-helixtrans-59.1-46.7175.3-74.9-178.8-172.500111.3D394 Q395 Q400 Q401 L402 Y525 R534D394-E398 WeakPolarHBondContact O-CG 3.32Å; D394-E398 PolarHBondContact O-N 2.97Å; Q395-E398 PolarHBondContact O-N 2.89Å; E398-Q400 VanDerWaalsContact C-N 3.35Å; E398-Q400 PolarHBondContact O-N 3.33Å; E398-Q401 PolarHBondContact O-N 2.89Å; E398-L402 PolarHBondContact O-N 2.85Å; E398-Y525 PolarHBondContact OE2-OH 3.33Å; E398-R534 IonicContact OE1-NH1 3.59Å; E398-R534 PolarHBondContact OE1-NH1 3.33Å; E398-R534 VanDerWaalsContact OE1-NH1 3.1Å; E398-R534 IonicContact OE2-NH1 3.15Å; E398-R534 PolarHBondContact OE2-NH1 3.38Å
399V96.3Very high96Very high3 Ų349.4 Ų49.42%0.01826%0.256CS..Hα-helixtrans-68.1-35.4177.5179.90000111.5Q395 Q401 L402 V403 I439 F440 M520 L538 I542Q395-V399 WeakPolarHBondContact O-CG2 3.36Å; Q395-V399 PolarHBondContact O-N 2.88Å; V399-Q401 VanDerWaalsContact C-N 3.33Å; V399-Q401 PolarHBondContact O-N 2.87Å; V399-L402 PolarHBondContact O-N 3.15Å; V399-V403 WeakPolarHBondContact O-CG2 3.26Å; V399-V403 PolarHBondContact O-N 2.92Å; V399-I439 HydrophobicContact CB-CG2 4.17Å; V399-I439 HydrophobicContact CG1-CD1 4.17Å; V399-I439 HydrophobicContact CG1-CG1 4.47Å; V399-I439 HydrophobicContact CG1-CG2 3.82Å; V399-F440 HydrophobicContact CB-CE2 4.5Å; V399-F440 HydrophobicContact CB-CZ 4.41Å; V399-F440 HydrophobicContact CG1-CZ 4.34Å; V399-F440 HydrophobicContact CG2-CE2 4.25Å; V399-F440 HydrophobicContact CG2-CZ 4.03Å; V399-M520 HydrophobicContact CG2-CE 4.31Å; V399-M520 HydrophobicContact CG2-SD 3.75Å; V399-L538 HydrophobicContact CG1-CD2 4.1Å; V399-L538 HydrophobicContact CG2-CD2 3.64Å; V399-I542 HydrophobicContact CG1-CD1 4.21Å
400Q97.1Very high96.1Very high81 Ų8146 Ų4638%0.37923%0.232SC..Hα-helixtrans-60.8-44.2172.5-177.967.250.500111.2R396 N397 E398 V403 E404 I439R396-Q400 PolarHBondContact O-N 3.06Å; N397-Q400 WeakPolarHBondContact O-CB 3.44Å; N397-Q400 PolarHBondContact O-N 2.9Å; E398-Q400 VanDerWaalsContact C-N 3.35Å; E398-Q400 PolarHBondContact O-N 3.33Å; Q400-V403 WeakPolarHBondContact O-CB 3.5Å; Q400-V403 PolarHBondContact O-N 2.73Å; Q400-E404 PolarHBondContact NE2-OE1 3.23Å; Q400-E404 WeakPolarHBondContact O-CG 3.41Å; Q400-E404 PolarHBondContact O-N 3.15Å; Q400-E404 VanDerWaalsContact O-N 3.15Å; Q400-I439 VanDerWaalsContact CA-CD1 3.46Å; Q400-I439 HydrophobicContact CB-CD1 3.89Å; Q400-I439 VanDerWaalsContact OE1-CD1 3.24Å
401Q96.2Very high96.2Very high112 Ų11246 Ų4652%0.52323%0.233SC..Hα-helixtrans-62.4-44.7176-178.3178.7-16.400111.5N397 E398 V399 V403 E404 E405N397-Q401 PolarHBondContact O-N 3.39Å; E398-Q401 PolarHBondContact O-N 2.89Å; V399-Q401 VanDerWaalsContact C-N 3.33Å; V399-Q401 PolarHBondContact O-N 2.87Å; Q401-V403 VanDerWaalsContact C-N 3.28Å; Q401-V403 PolarHBondContact O-N 2.79Å; Q401-E404 PolarHBondContact O-N 2.94Å; Q401-E404 VanDerWaalsContact O-N 3.09Å; Q401-E405 HydrophobicContact CG-CG 4.36Å; Q401-E405 PolarHBondContact NE2-OE1 3.47Å; Q401-E405 WeakPolarHBondContact O-CG 3.49Å; Q401-E405 PolarHBondContact O-N 2.67Å
402L97Very high96.2Very high2 Ų249 Ų491%0.0125%0.247CC..Hα-helixtrans-56.7-42.2175.7175.658.8000112.2E398 V399 E404 E405 V406 Y535 L538 I542 M616E398-L402 PolarHBondContact O-N 2.85Å; V399-L402 PolarHBondContact O-N 3.15Å; L402-E404 VanDerWaalsContact C-N 3.35Å; L402-E404 PolarHBondContact O-N 3.26Å; L402-E405 PolarHBondContact O-N 2.91Å; L402-V406 HydrophobicContact CD1-CG2 4.05Å; L402-V406 WeakPolarHBondContact O-CB 3.5Å; L402-V406 WeakPolarHBondContact O-CG2 3.25Å; L402-V406 PolarHBondContact O-N 2.96Å; L402-Y535 HydrophobicContact CD1-CD2 3.53Å; L402-Y535 HydrophobicContact CD1-CE2 3.57Å; L402-Y535 HydrophobicContact CD1-CG 4.33Å; L402-Y535 HydrophobicContact CD2-CD2 3.72Å; L402-Y535 HydrophobicContact CD2-CE2 4.49Å; L402-Y535 HydrophobicContact CD2-CG 3.74Å; L402-Y535 HydrophobicContact CG-CD2 4.2Å; L402-L538 HydrophobicContact CD2-CD2 4.5Å; L402-L538 HydrophobicContact CD2-CG 4.36Å; L402-I542 HydrophobicContact CD2-CD1 3.85Å; L402-I542 HydrophobicContact CG-CD1 4.11Å; L402-M616 HydrophobicContact CD1-CE 3.97Å; L402-M616 HydrophobicContact CD1-SD 4.33Å
403V98.2Very high96.2Very high0 Ų045.7 Ų45.70%023%0.226CC..Hα-helixtrans-59.2-44.4175165.80000111.4V399 Q400 Q401 R407 V437 I439 I515 I542 F546V399-V403 WeakPolarHBondContact O-CG2 3.26Å; V399-V403 PolarHBondContact O-N 2.92Å; Q400-V403 WeakPolarHBondContact O-CB 3.5Å; Q400-V403 PolarHBondContact O-N 2.73Å; Q401-V403 VanDerWaalsContact C-N 3.28Å; Q401-V403 PolarHBondContact O-N 2.79Å; V403-R407 VanDerWaalsContact O-CB 3.28Å; V403-R407 WeakPolarHBondContact O-CB 3.35Å; V403-R407 PolarHBondContact O-N 3.3Å; V403-V437 HydrophobicContact CG1-CB 4.03Å; V403-V437 HydrophobicContact CG1-CG1 4.13Å; V403-V437 HydrophobicContact CG1-CG2 3.73Å; V403-V437 HydrophobicContact CG2-CG1 4.02Å; V403-I439 HydrophobicContact CG2-CD1 3.97Å; V403-I439 HydrophobicContact CG2-CG1 4.45Å; V403-I515 HydrophobicContact CG2-CD1 3.97Å; V403-I542 HydrophobicContact CG2-CD1 3.99Å; V403-I542 HydrophobicContact CG2-CG2 4.03Å; V403-F546 HydrophobicContact CG1-CE2 4.18Å; V403-F546 HydrophobicContact CG1-CZ 4.2Å
404E97.9Very high96.3Very high80 Ų8040.1 Ų40.137%0.37420%0.2SC..Hα-helixtrans-66.7-37.6177.5-61.5-47.6131.900112.8Q400 Q401 L402 R407 S408Q400-E404 PolarHBondContact NE2-OE1 3.23Å; Q400-E404 WeakPolarHBondContact O-CG 3.41Å; Q400-E404 PolarHBondContact O-N 3.15Å; Q400-E404 VanDerWaalsContact O-N 3.15Å; Q401-E404 PolarHBondContact O-N 2.94Å; Q401-E404 VanDerWaalsContact O-N 3.09Å; L402-E404 VanDerWaalsContact C-N 3.35Å; L402-E404 PolarHBondContact O-N 3.26Å; E404-R407 PolarHBondContact O-N 2.73Å; E404-R407 IonicContact OE1-CZ 2.71Å; E404-R407 IonicContact OE1-NH1 2.83Å; E404-R407 PolarHBondContact OE1-NH1 3.06Å; E404-R407 IonicContact OE2-CZ 3.49Å; E404-R407 IonicContact OE2-NH1 3.46Å; E404-R407 PolarHBondContact OE2-NH1 2.79Å; E404-S408 WeakPolarHBondContact O-CB 3.45Å; E404-S408 PolarHBondContact O-N 2.76Å; E404-S408 PolarHBondContact O-OG 2.81Å
405E97.1Very high96.3Very high26 Ų2638.9 Ų38.912%0.12120%0.197CC..Hα-helixtrans-67.8-43.8177.8-70.2179.6176.200111.6Q401 L402 S408 S409 T619 R626Q401-E405 HydrophobicContact CG-CG 4.36Å; Q401-E405 PolarHBondContact NE2-OE1 3.47Å; Q401-E405 WeakPolarHBondContact O-CG 3.49Å; Q401-E405 PolarHBondContact O-N 2.67Å; L402-E405 PolarHBondContact O-N 2.91Å; E405-S408 PolarHBondContact O-N 2.95Å; E405-S409 PolarHBondContact O-N 2.68Å; E405-S409 PolarHBondContact O-OG 2.76Å; E405-T619 HydrophobicContact CB-CG2 3.75Å; E405-R626 IonicContact OE1-NH1 3.44Å
406V98.1Very high96.2Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-62.3-47.6173.2169.40000110.5L402 S408 S409 I410 I542 A543 F546 I615 M616 T619L402-V406 HydrophobicContact CD1-CG2 4.05Å; L402-V406 WeakPolarHBondContact O-CB 3.5Å; L402-V406 WeakPolarHBondContact O-CG2 3.25Å; L402-V406 PolarHBondContact O-N 2.96Å; V406-S408 VanDerWaalsContact C-N 3.28Å; V406-S408 PolarHBondContact O-N 2.87Å; V406-S409 PolarHBondContact O-N 2.75Å; V406-S409 VanDerWaalsContact O-N 3.12Å; V406-I410 HydrophobicContact CG1-CD1 3.89Å; V406-I410 HydrophobicContact CG1-CG1 4.48Å; V406-I410 WeakPolarHBondContact O-CG1 2.84Å; V406-I410 PolarHBondContact O-N 3.11Å; V406-I542 HydrophobicContact CB-CG2 4.31Å; V406-I542 HydrophobicContact CG1-CG2 4.15Å; V406-I542 HydrophobicContact CG2-CG2 4.43Å; V406-A543 HydrophobicContact CG1-CB 3.82Å; V406-F546 HydrophobicContact CG1-CD2 3.85Å; V406-F546 HydrophobicContact CG1-CE2 4.3Å; V406-I615 HydrophobicContact CG1-CG2 3.91Å; V406-M616 HydrophobicContact CG2-SD 3.91Å; V406-T619 HydrophobicContact CG2-CG2 4.18Å
407R98Very high96.1Very high21 Ų2142 Ų428%0.07922%0.215CC..Hα-helixtrans-53.8-46.4176.4-176.2-176.5-74.8104.9-2.9111.3V403 E404 S409 I410 I411 I432 T435 F546V403-R407 VanDerWaalsContact O-CB 3.28Å; V403-R407 WeakPolarHBondContact O-CB 3.35Å; V403-R407 PolarHBondContact O-N 3.3Å; E404-R407 PolarHBondContact O-N 2.73Å; E404-R407 IonicContact OE1-CZ 2.71Å; E404-R407 IonicContact OE1-NH1 2.83Å; E404-R407 PolarHBondContact OE1-NH1 3.06Å; E404-R407 IonicContact OE2-CZ 3.49Å; E404-R407 IonicContact OE2-NH1 3.46Å; E404-R407 PolarHBondContact OE2-NH1 2.79Å; R407-S409 PolarHBondContact O-N 2.91Å; R407-I410 PolarHBondContact O-N 2.83Å; R407-I411 HydrophobicContact CG-CD1 4.18Å; R407-I411 WeakPolarHBondContact O-CG1 3.15Å; R407-I411 PolarHBondContact O-N 3.19Å; R407-I411 VanDerWaalsContact O-N 3.16Å; R407-I432 HydrophobicContact CG-CG2 3.68Å; R407-I432 PolarHBondContact NE-O 3.11Å; R407-T435 PolarHBondContact NH2-O 3.14Å; R407-T435 VanDerWaalsContact NH2-O 3.17Å; R407-F546 HydrophobicContact CB-CZ 4.24Å
408S97.8Very high95.8Very high70 Ų7044.7 Ų44.749%0.4923%0.234SC..Hα-helixtrans-62.5-42.3178.8-59.60000112.2E404 E405 V406 I410 I411 E412E404-S408 WeakPolarHBondContact O-CB 3.45Å; E404-S408 PolarHBondContact O-N 2.76Å; E404-S408 PolarHBondContact O-OG 2.81Å; E405-S408 PolarHBondContact O-N 2.95Å; V406-S408 VanDerWaalsContact C-N 3.28Å; V406-S408 PolarHBondContact O-N 2.87Å; S408-I410 VanDerWaalsContact C-N 3.32Å; S408-I410 PolarHBondContact O-N 3.5Å; S408-I411 PolarHBondContact O-N 3.24Å; S408-E412 PolarHBondContact O-N 3.22Å; S408-E412 VanDerWaalsContact O-N 3.14Å
409S97.4Very high95.4Very high2 Ų244.6 Ų44.61%0.01423%0.231CC..Hα-helixtrans-66.2-31.9176.5-69.80000113.5E405 V406 R407 S413 T619 K622E405-S409 PolarHBondContact O-N 2.68Å; E405-S409 PolarHBondContact O-OG 2.76Å; V406-S409 PolarHBondContact O-N 2.75Å; V406-S409 VanDerWaalsContact O-N 3.12Å; R407-S409 PolarHBondContact O-N 2.91Å; S409-S413 WeakPolarHBondContact O-CB 3.43Å; S409-S413 PolarHBondContact O-N 2.83Å; S409-S413 VanDerWaalsContact O-N 3.1Å; S409-S413 PolarHBondContact O-OG 3.1Å; S409-T619 WeakPolarHBondContact CB-OG1 3.39Å; S409-T619 PolarHBondContact OG-OG1 3.48Å; S409-K622 PolarHBondContact OG-NZ 3.36Å; S409-K622 VanDerWaalsContact OG-NZ 3.16Å
410I97.3Very high95Very high1 Ų145.1 Ų45.11%0.00523%0.233CC..Hα-helixtrans-64.8-50.3173.8-64.5161.6000110.3V406 R407 S408 E412 S413 V414 I432 F546 M547 I550 I615V406-I410 HydrophobicContact CG1-CD1 3.89Å; V406-I410 HydrophobicContact CG1-CG1 4.48Å; V406-I410 WeakPolarHBondContact O-CG1 2.84Å; V406-I410 PolarHBondContact O-N 3.11Å; R407-I410 PolarHBondContact O-N 2.83Å; S408-I410 VanDerWaalsContact C-N 3.32Å; S408-I410 PolarHBondContact O-N 3.5Å; I410-E412 VanDerWaalsContact C-N 3.29Å; I410-E412 PolarHBondContact O-N 3.12Å; I410-S413 PolarHBondContact O-N 3.17Å; I410-S413 VanDerWaalsContact O-N 3.11Å; I410-V414 HydrophobicContact CG2-CG2 4.12Å; I410-V414 WeakPolarHBondContact O-CG2 3.47Å; I410-V414 PolarHBondContact O-N 3.4Å; I410-I432 HydrophobicContact CB-CG2 4.42Å; I410-I432 HydrophobicContact CG2-CD1 4.08Å; I410-I432 HydrophobicContact CG2-CG1 3.98Å; I410-I432 HydrophobicContact CG2-CG2 4.19Å; I410-F546 HydrophobicContact CD1-CB 3.34Å; I410-F546 HydrophobicContact CD1-CD1 4.06Å; I410-F546 HydrophobicContact CD1-CD2 3.86Å; I410-F546 HydrophobicContact CD1-CG 3.51Å; I410-M547 HydrophobicContact CD1-CE 3.85Å; I410-M547 HydrophobicContact CG1-CE 3.72Å; I410-M547 HydrophobicContact CG2-CE 4.05Å; I410-I550 HydrophobicContact CG2-CD1 4.26Å; I410-I615 HydrophobicContact CD1-CG2 4.28Å; I410-I615 HydrophobicContact CG1-CB 4.4Å; I410-I615 HydrophobicContact CG1-CD1 4.08Å; I410-I615 HydrophobicContact CG1-CG1 3.97Å; I410-I615 HydrophobicContact CG1-CG2 3.55Å
411I97.4Very high94.6Very high38 Ų3845 Ų4520%0.19524%0.235CC..Hα-helixtrans-59.8-41.5-178.2-66.3165.3000111.1R407 S408 V414 T415 T429 I432 N433R407-I411 HydrophobicContact CG-CD1 4.18Å; R407-I411 WeakPolarHBondContact O-CG1 3.15Å; R407-I411 PolarHBondContact O-N 3.19Å; R407-I411 VanDerWaalsContact O-N 3.16Å; S408-I411 PolarHBondContact O-N 3.24Å; I411-V414 PolarHBondContact O-N 2.94Å; I411-T415 PolarHBondContact O-N 3.35Å; I411-T415 PolarHBondContact O-OG1 2.87Å; I411-T429 HydrophobicContact CG1-CG2 4.48Å; I411-T429 HydrophobicContact CG2-CG2 4.02Å; I411-I432 HydrophobicContact CD1-CG2 4.4Å; I411-I432 HydrophobicContact CG1-CG2 4.07Å; I411-N433 WeakPolarHBondContact CD1-OD1 3.42Å
412E96.5Very high94.3Very high85 Ų8545.7 Ų45.740%0.39724%0.239SC..Hα-helixtrans-62.7-45.3175.4-174.5178.1161.700112S408 I410 V414 T415 Q416 K622S408-E412 PolarHBondContact O-N 3.22Å; S408-E412 VanDerWaalsContact O-N 3.14Å; I410-E412 VanDerWaalsContact C-N 3.29Å; I410-E412 PolarHBondContact O-N 3.12Å; E412-V414 VanDerWaalsContact C-N 3.34Å; E412-V414 PolarHBondContact O-N 3.45Å; E412-T415 WeakPolarHBondContact O-CB 3.34Å; E412-T415 PolarHBondContact O-N 2.98Å; E412-Q416 WeakPolarHBondContact O-CG 3.32Å; E412-Q416 PolarHBondContact O-N 3.3Å; E412-Q416 VanDerWaalsContact O-N 3.12Å; E412-Q416 PolarHBondContact OE1-NE2 3.43Å; E412-K622 WeakPolarHBondContact OE2-CE 3.24Å; E412-K622 IonicContact OE2-NZ 2.99Å; E412-K622 PolarHBondContact OE2-NZ 3.47Å
413S95Very high93.9Very high2 Ų250.7 Ų50.71%0.01427%0.265CS..Hα-helixtrans-65.3-38.6-180-51.50000111.5S409 I410 T415 Q416 A417 I615S409-S413 WeakPolarHBondContact O-CB 3.43Å; S409-S413 PolarHBondContact O-N 2.83Å; S409-S413 VanDerWaalsContact O-N 3.1Å; S409-S413 PolarHBondContact O-OG 3.1Å; I410-S413 PolarHBondContact O-N 3.17Å; I410-S413 VanDerWaalsContact O-N 3.11Å; S413-T415 VanDerWaalsContact C-N 3.32Å; S413-T415 PolarHBondContact O-N 3.34Å; S413-Q416 PolarHBondContact O-N 3Å; S413-A417 PolarHBondContact O-N 3.38Å; S413-I615 WeakPolarHBondContact OG-CD1 3.38Å
414V93.6Very high93.4Very high1 Ų150.9 Ų50.91%0.00627%0.266CS..Hα-helixtrans-61.9-40.7173.7170.20000111.3I410 I411 E412 Q416 A417 L420 K425 V428 W706I410-V414 HydrophobicContact CG2-CG2 4.12Å; I410-V414 WeakPolarHBondContact O-CG2 3.47Å; I410-V414 PolarHBondContact O-N 3.4Å; I411-V414 PolarHBondContact O-N 2.94Å; E412-V414 VanDerWaalsContact C-N 3.34Å; E412-V414 PolarHBondContact O-N 3.45Å; V414-Q416 VanDerWaalsContact C-N 3.28Å; V414-Q416 PolarHBondContact O-N 2.86Å; V414-A417 WeakPolarHBondContact O-CB 3.26Å; V414-A417 PolarHBondContact O-N 3.02Å; V414-L420 HydrophobicContact CG1-CD1 4.31Å; V414-K425 HydrophobicContact CG1-CB 4.13Å; V414-K425 HydrophobicContact CG1-CG 4.27Å; V414-V428 HydrophobicContact CB-CG1 4.17Å; V414-V428 HydrophobicContact CG1-CB 4Å; V414-V428 HydrophobicContact CG1-CG1 3.69Å; V414-V428 HydrophobicContact CG2-CG1 3.41Å; V414-V428 VanDerWaalsContact CG2-CG1 3.41Å; V414-W706 HydrophobicContact CB-CZ3 4.38Å; V414-W706 HydrophobicContact CG2-CE3 4.28Å; V414-W706 HydrophobicContact CG2-CH2 4.14Å; V414-W706 HydrophobicContact CG2-CZ3 3.55Å
415T93.9Very high93.1Very high87 Ų8748.3 Ų48.353%0.53425%0.254SS..Hα-helixtrans-63.2-38.5178.7-56.10000111.3I411 E412 S413 K425I411-T415 PolarHBondContact O-N 3.35Å; I411-T415 PolarHBondContact O-OG1 2.87Å; E412-T415 WeakPolarHBondContact O-CB 3.34Å; E412-T415 PolarHBondContact O-N 2.98Å; S413-T415 VanDerWaalsContact C-N 3.32Å; S413-T415 PolarHBondContact O-N 3.34Å; T415-K425 PolarHBondContact O-NZ 2.88Å
416Q92.9Very high92.9Very high119 Ų11952.1 Ų52.156%0.55627%0.272SS*.Hα-helixtrans-81-13.9179.7-65.3174.18.300113.8E412 S413 V414 T418E412-Q416 WeakPolarHBondContact O-CG 3.32Å; E412-Q416 PolarHBondContact O-N 3.3Å; E412-Q416 VanDerWaalsContact O-N 3.12Å; E412-Q416 PolarHBondContact OE1-NE2 3.43Å; S413-Q416 PolarHBondContact O-N 3Å; V414-Q416 VanDerWaalsContact C-N 3.28Å; V414-Q416 PolarHBondContact O-N 2.86Å; Q416-T418 PolarHBondContact O-N 3.06Å; Q416-T418 VanDerWaalsContact O-N 3.08Å
417A90.9Very high92.6Very high5 Ų553.3 Ų53.34%0.04128%0.277CS..  trans-68105.8-177.200000112.1S413 V414 W419 L420 K425 W706S413-A417 PolarHBondContact O-N 3.38Å; V414-A417 WeakPolarHBondContact O-CB 3.26Å; V414-A417 PolarHBondContact O-N 3.02Å; A417-W419 VanDerWaalsContact C-N 3.28Å; A417-W419 PolarHBondContact O-N 2.8Å; A417-L420 HydrophobicContact CB-CB 4.41Å; A417-L420 HydrophobicContact CB-CD1 3.98Å; A417-L420 HydrophobicContact CB-CG 4.17Å; A417-L420 PolarHBondContact O-N 3.02Å; A417-K425 WeakPolarHBondContact O-CE 3.14Å; A417-W706 HydrophobicContact CB-CE3 4.5Å; A417-W706 HydrophobicContact CB-CZ3 4.44Å
418T89.1Confident92.4Very high139 Ų13952.5 Ų52.585%0.85327%0.274SS*.THydrogen-bonded Turntrans-73.8-17.3-178.456.60000114.1Q416 L420Q416-T418 PolarHBondContact O-N 3.06Å; Q416-T418 VanDerWaalsContact O-N 3.08Å; T418-L420 VanDerWaalsContact C-N 3.34Å
419W87.1Confident92.3Very high63 Ų6350.1 Ų50.124%0.23926%0.257CS..THydrogen-bonded Turntrans-84.8-8.4178.864.6-92.3000113.2A417 A575 N576 Q579 L705 W706A417-W419 VanDerWaalsContact C-N 3.28Å; A417-W419 PolarHBondContact O-N 2.8Å; W419-A575 HydrophobicContact CE3-CB 3.91Å; W419-A575 HydrophobicContact CZ3-CB 3.77Å; W419-N576 WeakPolarHBondContact CH2-OD1 3.49Å; W419-Q579 HydrophobicContact CD2-CG 4.42Å; W419-Q579 HydrophobicContact CZ2-CG 4.44Å; W419-L705 PolarHBondContact NE1-O 3.26Å; W419-W706 HydrophobicContact CH2-CH2 4.37Å; W419-W706 AromaticContact CZ2-CH2 3.93Å; W419-W706 HydrophobicContact CZ2-CH2 3.93Å; W419-W706 HydrophobicContact CZ2-CZ2 4.21Å; W419-W706 HydrophobicContact CZ2-CZ3 4.11Å
420L86.7Confident92.2Very high14 Ų1452.9 Ų52.97%0.07327%0.271CS..SBendtrans-98.7136.3173.7-67.2179.5000110.7V414 A417 T418 T424 K425 W706V414-L420 HydrophobicContact CG1-CD1 4.31Å; A417-L420 HydrophobicContact CB-CB 4.41Å; A417-L420 HydrophobicContact CB-CD1 3.98Å; A417-L420 HydrophobicContact CB-CG 4.17Å; A417-L420 PolarHBondContact O-N 3.02Å; T418-L420 VanDerWaalsContact C-N 3.34Å; L420-T424 HydrophobicContact CD2-CG2 3.71Å; L420-K425 HydrophobicContact CB-CG 3.74Å; L420-K425 HydrophobicContact CD1-CG 4.41Å; L420-K425 WeakPolarHBondContact O-CE 3.47Å; L420-W706 HydrophobicContact CD1-CH2 4.34Å; L420-W706 HydrophobicContact CD1-CZ3 4.08Å
421N88Confident92.1Very high78 Ų7852.8 Ų52.842%0.41727%0.271SS..  trans-77.5161.3168.16642.5000111N423 T424 K425N421-N423 VanDerWaalsContact C-N 3.32Å; N421-N423 PolarHBondContact O-N 2.95Å; N421-N423 PolarHBondContact OD1-N 3.25Å; N421-T424 PolarHBondContact O-N 3.35Å; N421-T424 WeakPolarHBondContact OD1-CB 3.42Å; N421-T424 PolarHBondContact OD1-N 2.9Å; N421-T424 PolarHBondContact OD1-OG1 3.48Å; N421-K425 PolarHBondContact O-N 3.12Å
422E90Very high92.1Very high127 Ų12751 Ų5159%0.59326%0.262SS*.Hα-helixtrans-59.3-38.3-175-64.4-54129.100113.5T424 K425 Q426E422-T424 VanDerWaalsContact C-N 3.3Å; E422-T424 PolarHBondContact O-N 3.46Å; E422-K425 PolarHBondContact O-N 3.29Å; E422-K425 IonicContact OE1-NZ 2.68Å; E422-K425 PolarHBondContact OE1-NZ 3.47Å; E422-Q426 WeakPolarHBondContact O-CB 3.44Å; E422-Q426 PolarHBondContact O-N 2.96Å
423N88.7Confident92.2Very high106 Ų10651 Ų5157%0.56727%0.265SS*.Hα-helixtrans-60.9-40.7175.1-69.2-0.6000111.9N421 F427N421-N423 VanDerWaalsContact C-N 3.32Å; N421-N423 PolarHBondContact O-N 2.95Å; N421-N423 PolarHBondContact OD1-N 3.25Å; N423-F427 WeakPolarHBondContact O-CB 3.47Å; N423-F427 PolarHBondContact O-N 3.46Å
424T88.8Confident92.2Very high4 Ų455 Ų553%0.02528%0.283CS..Hα-helixtrans-72.9-38.8179.4-50.50000111L420 N421 E422 F427 V428L420-T424 HydrophobicContact CD2-CG2 3.71Å; N421-T424 PolarHBondContact O-N 3.35Å; N421-T424 WeakPolarHBondContact OD1-CB 3.42Å; N421-T424 PolarHBondContact OD1-N 2.9Å; N421-T424 PolarHBondContact OD1-OG1 3.48Å; E422-T424 VanDerWaalsContact C-N 3.3Å; E422-T424 PolarHBondContact O-N 3.46Å; T424-F427 PolarHBondContact O-N 3.33Å; T424-V428 HydrophobicContact CG2-CG2 4.37Å; T424-V428 WeakPolarHBondContact O-CB 3.29Å; T424-V428 VanDerWaalsContact O-CG2 3.29Å; T424-V428 WeakPolarHBondContact O-CG2 3.15Å; T424-V428 PolarHBondContact O-N 3.45Å
425K91.7Very high92.3Very high27 Ų2755 Ų5512%0.11728%0.284CS..Hα-helixtrans-59.8-48.4173.5-69-178.9-175.6171.60111.5V414 T415 A417 L420 N421 E422 V428 T429V414-K425 HydrophobicContact CG1-CB 4.13Å; V414-K425 HydrophobicContact CG1-CG 4.27Å; T415-K425 PolarHBondContact O-NZ 2.88Å; A417-K425 WeakPolarHBondContact O-CE 3.14Å; L420-K425 HydrophobicContact CB-CG 3.74Å; L420-K425 HydrophobicContact CD1-CG 4.41Å; L420-K425 WeakPolarHBondContact O-CE 3.47Å; N421-K425 PolarHBondContact O-N 3.12Å; E422-K425 PolarHBondContact O-N 3.29Å; E422-K425 IonicContact OE1-NZ 2.68Å; E422-K425 PolarHBondContact OE1-NZ 3.47Å; K425-V428 PolarHBondContact O-N 3.36Å; K425-T429 WeakPolarHBondContact O-CB 3.23Å; K425-T429 PolarHBondContact O-N 2.89Å; K425-T429 PolarHBondContact O-OG1 3.38Å
426Q92.8Very high92.4Very high106 Ų10656.8 Ų56.850%0.49528%0.284SS..Hα-helixtrans-60.6-48.3178-174.859.550.300111E422 V428 T429 D430E422-Q426 WeakPolarHBondContact O-CB 3.44Å; E422-Q426 PolarHBondContact O-N 2.96Å; Q426-V428 VanDerWaalsContact C-N 3.35Å; Q426-V428 PolarHBondContact O-N 3Å; Q426-T429 PolarHBondContact O-N 3.5Å; Q426-D430 VanDerWaalsContact NE2-CG 3.29Å; Q426-D430 PolarHBondContact NE2-OD1 3.38Å; Q426-D430 PolarHBondContact NE2-OD2 3.33Å; Q426-D430 VanDerWaalsContact NE2-OD2 3.16Å; Q426-D430 VanDerWaalsContact O-CG 3.26Å; Q426-D430 PolarHBondContact O-N 2.79Å
427F92.3Very high92.5Very high25 Ų2552.2 Ų52.211%0.1126%0.264CS..Hα-helixtrans-56.1-47.5176.2165.6-99.6000112.5N423 T424 D430 K431 D558 R564N423-F427 WeakPolarHBondContact O-CB 3.47Å; N423-F427 PolarHBondContact O-N 3.46Å; T424-F427 PolarHBondContact O-N 3.33Å; F427-D430 PolarHBondContact O-N 3.34Å; F427-K431 HydrophobicContact CE1-CD 4.33Å; F427-K431 HydrophobicContact CZ-CD 3.91Å; F427-K431 WeakPolarHBondContact O-CB 3.48Å; F427-K431 PolarHBondContact O-N 2.99Å; F427-D558 HydrophobicContact CE2-CB 4.48Å; F427-R564 VanDerWaalsContact CZ-CD 3.49Å; F427-R564 VanDerWaalsContact CZ-NH1 3.26Å
428V92.8Very high92.7Very high3 Ų354.4 Ų54.42%0.01827%0.273CS..Hα-helixtrans-62.4-46.4179.2163.50000110.4V414 T424 K425 Q426 D430 K431 I432 I550V414-V428 HydrophobicContact CB-CG1 4.17Å; V414-V428 HydrophobicContact CG1-CB 4Å; V414-V428 HydrophobicContact CG1-CG1 3.69Å; V414-V428 HydrophobicContact CG2-CG1 3.41Å; V414-V428 VanDerWaalsContact CG2-CG1 3.41Å; T424-V428 HydrophobicContact CG2-CG2 4.37Å; T424-V428 WeakPolarHBondContact O-CB 3.29Å; T424-V428 VanDerWaalsContact O-CG2 3.29Å; T424-V428 WeakPolarHBondContact O-CG2 3.15Å; T424-V428 PolarHBondContact O-N 3.45Å; K425-V428 PolarHBondContact O-N 3.36Å; Q426-V428 VanDerWaalsContact C-N 3.35Å; Q426-V428 PolarHBondContact O-N 3Å; V428-D430 PolarHBondContact O-N 2.75Å; V428-K431 PolarHBondContact O-N 3.26Å; V428-I432 HydrophobicContact CG1-CG1 4.25Å; V428-I432 WeakPolarHBondContact O-CB 3.19Å; V428-I432 VanDerWaalsContact O-CG1 3.29Å; V428-I432 WeakPolarHBondContact O-CG1 3.38Å; V428-I432 PolarHBondContact O-N 3.29Å; V428-I550 HydrophobicContact CB-CG2 4.37Å; V428-I550 HydrophobicContact CG1-CB 4.42Å; V428-I550 HydrophobicContact CG1-CD1 4.16Å; V428-I550 HydrophobicContact CG1-CG2 3.73Å; V428-I550 HydrophobicContact CG2-CB 4.42Å; V428-I550 HydrophobicContact CG2-CG2 4.08Å
429T95.7Very high92.9Very high21 Ų2148.5 Ų48.513%0.12924%0.236CC..Hα-helixtrans-57.7-48.3176.7-65.10000111.4I411 K425 Q426 K431 I432 N433I411-T429 HydrophobicContact CG1-CG2 4.48Å; I411-T429 HydrophobicContact CG2-CG2 4.02Å; K425-T429 WeakPolarHBondContact O-CB 3.23Å; K425-T429 PolarHBondContact O-N 2.89Å; K425-T429 PolarHBondContact O-OG1 3.38Å; Q426-T429 PolarHBondContact O-N 3.5Å; T429-K431 VanDerWaalsContact C-N 3.31Å; T429-K431 PolarHBondContact O-N 3.48Å; T429-I432 PolarHBondContact O-N 3.13Å; T429-N433 WeakPolarHBondContact O-CB 3.5Å; T429-N433 PolarHBondContact O-N 3.18Å; T429-N433 PolarHBondContact O-ND2 2.98Å
430D95.1Very high93.2Very high59 Ų5945.5 Ų45.532%0.31622%0.224SC..Hα-helixtrans-63-38.6178.5-67.7-24.7000112Q426 F427 V428 Q434Q426-D430 VanDerWaalsContact NE2-CG 3.29Å; Q426-D430 PolarHBondContact NE2-OD1 3.38Å; Q426-D430 PolarHBondContact NE2-OD2 3.33Å; Q426-D430 VanDerWaalsContact NE2-OD2 3.16Å; Q426-D430 VanDerWaalsContact O-CG 3.26Å; Q426-D430 PolarHBondContact O-N 2.79Å; F427-D430 PolarHBondContact O-N 3.34Å; V428-D430 PolarHBondContact O-N 2.75Å; D430-Q434 WeakPolarHBondContact O-CB 3.4Å; D430-Q434 VanDerWaalsContact O-CG 3.3Å; D430-Q434 WeakPolarHBondContact O-CG 3.3Å; D430-Q434 PolarHBondContact O-N 2.99Å; D430-Q434 VanDerWaalsContact O-N 3.12Å; D430-Q434 PolarHBondContact O-NE2 3.17Å
431K95.9Very high93.1Very high0 Ų047.1 Ų47.10%023%0.23CC..Hα-helixtrans-66.4-48.9178.1-172.6171.9-176-178.30111.8F427 V428 T429 N433 Q434 T435 Y506 N511 A549 G554 E557 F559F427-K431 HydrophobicContact CE1-CD 4.33Å; F427-K431 HydrophobicContact CZ-CD 3.91Å; F427-K431 WeakPolarHBondContact O-CB 3.48Å; F427-K431 PolarHBondContact O-N 2.99Å; V428-K431 PolarHBondContact O-N 3.26Å; T429-K431 VanDerWaalsContact C-N 3.31Å; T429-K431 PolarHBondContact O-N 3.48Å; K431-N433 VanDerWaalsContact C-N 3.35Å; K431-N433 PolarHBondContact O-N 2.95Å; K431-Q434 CarbonylContact O-C 3.25Å; K431-Q434 PolarHBondContact O-N 2.89Å; K431-Q434 VanDerWaalsContact O-N 3.14Å; K431-T435 PolarHBondContact O-N 2.79Å; K431-T435 PolarHBondContact O-OG1 3.22Å; K431-T435 VanDerWaalsContact O-OG1 3.05Å; K431-Y506 VanDerWaalsContact CE-OH 3.26Å; K431-Y506 WeakPolarHBondContact CE-OH 3.5Å; K431-N511 PolarHBondContact O-ND2 3.49Å; K431-A549 WeakPolarHBondContact CD-O 3.39Å; K431-A549 VanDerWaalsContact CE-O 3.24Å; K431-A549 WeakPolarHBondContact CE-O 3.13Å; K431-A549 PolarHBondContact NZ-O 3.41Å; K431-G554 PolarHBondContact NZ-O 3.03Å; K431-E557 WeakPolarHBondContact CE-O 3.44Å; K431-E557 PolarHBondContact NZ-O 3.41Å; K431-F559 HydrophobicContact CG-CB 4.44Å
432I97.4Very high93Very high0 Ų043.5 Ų43.50%021%0.211CC..Hα-helixtrans-63.1-40.5179.4-69-67.1000111.5R407 I410 I411 V428 T429 Q434 T435 F546 A549 I550R407-I432 HydrophobicContact CG-CG2 3.68Å; R407-I432 PolarHBondContact NE-O 3.11Å; I410-I432 HydrophobicContact CB-CG2 4.42Å; I410-I432 HydrophobicContact CG2-CD1 4.08Å; I410-I432 HydrophobicContact CG2-CG1 3.98Å; I410-I432 HydrophobicContact CG2-CG2 4.19Å; I411-I432 HydrophobicContact CD1-CG2 4.4Å; I411-I432 HydrophobicContact CG1-CG2 4.07Å; V428-I432 HydrophobicContact CG1-CG1 4.25Å; V428-I432 WeakPolarHBondContact O-CB 3.19Å; V428-I432 VanDerWaalsContact O-CG1 3.29Å; V428-I432 WeakPolarHBondContact O-CG1 3.38Å; V428-I432 PolarHBondContact O-N 3.29Å; T429-I432 PolarHBondContact O-N 3.13Å; I432-Q434 VanDerWaalsContact C-N 3.28Å; I432-Q434 PolarHBondContact O-N 3.18Å; I432-T435 WeakPolarHBondContact O-CB 3.46Å; I432-T435 PolarHBondContact O-N 3.02Å; I432-F546 HydrophobicContact CD1-CD1 3.88Å; I432-F546 HydrophobicContact CG2-CE1 4.48Å; I432-A549 HydrophobicContact CD1-CB 3.96Å; I432-I550 HydrophobicContact CD1-CG2 3.92Å; I432-I550 HydrophobicContact CG1-CG2 4.05Å
433N97.1Very high93Very high86 Ų8641.3 Ų41.346%0.4620%0.203SC..Hα-helixtrans-62.5-35.2174.1-81.3-32.6000112.7I411 T429 K431I411-N433 WeakPolarHBondContact CD1-OD1 3.42Å; T429-N433 WeakPolarHBondContact O-CB 3.5Å; T429-N433 PolarHBondContact O-N 3.18Å; T429-N433 PolarHBondContact O-ND2 2.98Å; K431-N433 VanDerWaalsContact C-N 3.35Å; K431-N433 PolarHBondContact O-N 2.95Å
434Q96.4Very high93.2Very high84 Ų8438.5 Ų38.539%0.39319%0.189SC..Hα-helixtrans-90.2-6.7-179-70.3-175.884.900114.2D430 K431 I432 K436 F559D430-Q434 WeakPolarHBondContact O-CB 3.4Å; D430-Q434 VanDerWaalsContact O-CG 3.3Å; D430-Q434 WeakPolarHBondContact O-CG 3.3Å; D430-Q434 PolarHBondContact O-N 2.99Å; D430-Q434 VanDerWaalsContact O-N 3.12Å; D430-Q434 PolarHBondContact O-NE2 3.17Å; K431-Q434 CarbonylContact O-C 3.25Å; K431-Q434 PolarHBondContact O-N 2.89Å; K431-Q434 VanDerWaalsContact O-N 3.14Å; I432-Q434 VanDerWaalsContact C-N 3.28Å; I432-Q434 PolarHBondContact O-N 3.18Å; Q434-K436 PolarHBondContact O-N 3.27Å; Q434-K436 VanDerWaalsContact O-N 3.13Å; Q434-F559 HydrophobicContact CB-CB 3.93Å; Q434-F559 HydrophobicContact CG-CB 4.49Å
435T96.3Very high93.4Very high3 Ų341.6 Ų41.62%0.01821%0.211CC..  trans-60.7116.1174.8-62.80000110.2R407 K431 I432 V437 Y506 N511 F546R407-T435 PolarHBondContact NH2-O 3.14Å; R407-T435 VanDerWaalsContact NH2-O 3.17Å; K431-T435 PolarHBondContact O-N 2.79Å; K431-T435 PolarHBondContact O-OG1 3.22Å; K431-T435 VanDerWaalsContact O-OG1 3.05Å; I432-T435 WeakPolarHBondContact O-CB 3.46Å; I432-T435 PolarHBondContact O-N 3.02Å; T435-V437 HydrophobicContact CG2-CG2 4.35Å; T435-Y506 HydrophobicContact CG2-CD2 4.44Å; T435-Y506 HydrophobicContact CG2-CE2 3.91Å; T435-N511 PolarHBondContact N-ND2 3.39Å; T435-N511 PolarHBondContact OG1-OD1 3.14Å; T435-F546 HydrophobicContact CG2-CD1 4.26Å; T435-F546 HydrophobicContact CG2-CE1 3.76Å
436K94.4Very high93.4Very high123 Ų12341.1 Ų41.154%0.53521%0.214SC..EExtended strand (participates in β ladder)trans-85.7125.4176.9-65179.8-176.1-179.20109.8Q434 F438 N511 R512 M513Q434-K436 PolarHBondContact O-N 3.27Å; Q434-K436 VanDerWaalsContact O-N 3.13Å; K436-F438 HydrophobicContact CB-CE2 4.01Å; K436-N511 PolarHBondContact N-O 2.83Å; K436-R512 HydrophobicContact CB-CG 4Å; K436-R512 VanDerWaalsContact O-CA 3.29Å; K436-R512 WeakPolarHBondContact O-CA 3.35Å; K436-M513 PolarHBondContact O-N 3.48Å
437V95.9Very high93.4Very high24 Ų2436 Ų3615%0.14519%0.19CC..EExtended strand (participates in β ladder)trans-108.1122.2-178.7-172.30000109.7V403 T435 I439 M513 I515 F546V403-V437 HydrophobicContact CG1-CB 4.03Å; V403-V437 HydrophobicContact CG1-CG1 4.13Å; V403-V437 HydrophobicContact CG1-CG2 3.73Å; V403-V437 HydrophobicContact CG2-CG1 4.02Å; T435-V437 HydrophobicContact CG2-CG2 4.35Å; V437-I439 HydrophobicContact CG1-CG1 3.92Å; V437-M513 WeakPolarHBondContact CA-O 3.2Å; V437-M513 HydrophobicContact CG1-CB 4.27Å; V437-M513 HydrophobicContact CG1-CG 4.39Å; V437-M513 HydrophobicContact CG1-SD 4.09Å; V437-M513 HydrophobicContact CG2-CB 4.22Å; V437-M513 HydrophobicContact CG2-SD 4.48Å; V437-I515 HydrophobicContact CG1-CD1 3.59Å; V437-I515 HydrophobicContact CG1-CG1 4.31Å; V437-F546 HydrophobicContact CG2-CE2 4.5Å; V437-F546 HydrophobicContact CG2-CZ 3.87Å
438F93.7Very high93.5Very high51 Ų5138.2 Ų38.222%0.22420%0.201CC..EExtended strand (participates in β ladder)trans-102.187.8-179-77.2-93.4000109.5K436 Y441 L494 R512 M513 I515K436-F438 HydrophobicContact CB-CE2 4.01Å; F438-Y441 HydrophobicContact CB-CD1 4.43Å; F438-L494 HydrophobicContact CB-CD2 4.12Å; F438-L494 HydrophobicContact CD1-CD1 4.45Å; F438-L494 HydrophobicContact CD1-CD2 3.37Å; F438-L494 HydrophobicContact CD1-CG 4.29Å; F438-L494 HydrophobicContact CE1-CD1 4.41Å; F438-L494 HydrophobicContact CE1-CD2 3.87Å; F438-L494 HydrophobicContact CE1-CG 4.34Å; F438-L494 HydrophobicContact CG-CD2 3.76Å; F438-R512 HydrophobicContact CD2-CG 4.36Å; F438-R512 HydrophobicContact CE2-CG 3.9Å; F438-M513 PolarHBondContact N-O 3.36Å; F438-I515 PolarHBondContact O-N 3.1Å
439I94.5Very high93.5Very high15 Ų1546.8 Ų46.88%0.07723%0.233CC..EExtended strand (participates in β ladder)trans-82.3117.1-179.9-54.2171.5000109.4R396 V399 Q400 V403 V437 Y441 I515R396-I439 PolarHBondContact NH1-O 3.32Å; V399-I439 HydrophobicContact CB-CG2 4.17Å; V399-I439 HydrophobicContact CG1-CD1 4.17Å; V399-I439 HydrophobicContact CG1-CG1 4.47Å; V399-I439 HydrophobicContact CG1-CG2 3.82Å; Q400-I439 VanDerWaalsContact CA-CD1 3.46Å; Q400-I439 HydrophobicContact CB-CD1 3.89Å; Q400-I439 VanDerWaalsContact OE1-CD1 3.24Å; V403-I439 HydrophobicContact CG2-CD1 3.97Å; V403-I439 HydrophobicContact CG2-CG1 4.45Å; V437-I439 HydrophobicContact CG1-CG1 3.92Å; I439-Y441 PolarHBondContact O-N 3.42Å; I439-Y441 VanDerWaalsContact O-N 3.09Å; I439-I515 HydrophobicContact CG1-CD1 4.19Å
440F92.2Very high93.3Very high0 Ų048.7 Ų48.70%024%0.238CC..THydrogen-bonded Turntrans45.448.1176.9-43-32.6000110.6I391 R396 V399 S442 I515 F516 A517 M520I391-F440 HydrophobicContact CD1-CD2 4.11Å; I391-F440 HydrophobicContact CD1-CE2 4.15Å; I391-F440 HydrophobicContact CD1-CG 4.49Å; I391-F440 HydrophobicContact CG2-CD2 3.99Å; R396-F440 HydrophobicContact CG-CD2 4.16Å; R396-F440 PolarHBondContact NH1-O 3.26Å; R396-F440 PolarHBondContact NH2-O 2.95Å; V399-F440 HydrophobicContact CB-CE2 4.5Å; V399-F440 HydrophobicContact CB-CZ 4.41Å; V399-F440 HydrophobicContact CG1-CZ 4.34Å; V399-F440 HydrophobicContact CG2-CE2 4.25Å; V399-F440 HydrophobicContact CG2-CZ 4.03Å; F440-S442 CarbonylContact O-C 3.51Å; F440-S442 VanDerWaalsContact O-C 3.25Å; F440-S442 PolarHBondContact O-N 2.87Å; F440-I515 HydrophobicContact CE1-CG2 4.01Å; F440-I515 PolarHBondContact N-O 2.91Å; F440-F516 VanDerWaalsContact CD1-C 3.46Å; F440-F516 WeakPolarHBondContact CE1-O 3.39Å; F440-A517 HydrophobicContact CB-CB 4.25Å; F440-A517 HydrophobicContact CD1-CB 3.85Å; F440-A517 VanDerWaalsContact CD1-N 3.25Å; F440-A517 HydrophobicContact CG-CB 4.08Å; F440-M520 HydrophobicContact CE1-CG 3.71Å; F440-M520 HydrophobicContact CE1-SD 4.31Å; F440-M520 HydrophobicContact CE2-CG 3.69Å; F440-M520 HydrophobicContact CE2-SD 3.94Å; F440-M520 HydrophobicContact CZ-CG 3.16Å; F440-M520 HydrophobicContact CZ-SD 3.37Å; F440-M520 WeakPolarHBondContact CZ-SD 3.32Å
441Y86.2Confident93.2Very high48 Ų4846 Ų4619%0.18822%0.223CC..  trans-55.7-10-163.857.9-89.8000115.8F438 I439 L494 R495 S497 T499 F516F438-Y441 HydrophobicContact CB-CD1 4.43Å; I439-Y441 PolarHBondContact O-N 3.42Å; I439-Y441 VanDerWaalsContact O-N 3.09Å; Y441-L494 HydrophobicContact CD1-CD2 4Å; Y441-L494 HydrophobicContact CD2-CB 4.41Å; Y441-L494 HydrophobicContact CD2-CD1 3.98Å; Y441-L494 HydrophobicContact CD2-CD2 3.75Å; Y441-L494 HydrophobicContact CD2-CG 4.24Å; Y441-L494 HydrophobicContact CE2-CB 4.39Å; Y441-L494 HydrophobicContact CE2-CD2 4.32Å; Y441-L494 HydrophobicContact CG-CD1 4.42Å; Y441-L494 HydrophobicContact CG-CD2 3.57Å; Y441-R495 PolarHBondContact OH-O 3Å; Y441-S497 PolarHBondContact OH-O 3.36Å; Y441-T499 HydrophobicContact CD1-CG2 3.85Å; Y441-T499 HydrophobicContact CD2-CG2 4.24Å; Y441-T499 HydrophobicContact CE1-CG2 3.43Å; Y441-T499 VanDerWaalsContact CE1-CG2 3.43Å; Y441-T499 HydrophobicContact CE2-CG2 3.88Å; Y441-T499 HydrophobicContact CG-CG2 4.22Å; Y441-T499 VanDerWaalsContact CZ-CG2 3.45Å; Y441-F516 HydrophobicContact CE1-CD1 4.09Å; Y441-F516 AromaticContact CE1-CE1 3.65Å; Y441-F516 HydrophobicContact CE1-CE1 3.65Å; Y441-F516 HydrophobicContact CE1-CZ 4.04Å; Y441-F516 WeakPolarHBondContact OH-CZ 3.31Å
442S86.1Confident93.1Very high2 Ų251.3 Ų51.31%0.01425%0.252CS..  trans-92.1138.4161.4-160.80000113.2E383 L387 R396 F440 S447 R450E383-S442 VanDerWaalsContact OE1-CB 3.3Å; E383-S442 WeakPolarHBondContact OE1-CB 3.26Å; E383-S442 PolarHBondContact OE2-OG 3.1Å; L387-S442 WeakPolarHBondContact CD1-O 3.48Å; R396-S442 PolarHBondContact NH2-O 3.02Å; F440-S442 CarbonylContact O-C 3.51Å; F440-S442 VanDerWaalsContact O-C 3.25Å; F440-S442 PolarHBondContact O-N 2.87Å; S442-S447 PolarHBondContact OG-OG 3.05Å; S442-R450 VanDerWaalsContact CB-NH2 3.27Å; S442-R450 PolarHBondContact OG-NH2 2.95Å
443N89.4Confident92.7Very high81 Ų8156.1 Ų56.143%0.43328%0.277SS..  trans-108.3173.4160.862.3-3.3000109.6S445 G446 S447N443-S445 VanDerWaalsContact C-N 3.35Å; N443-S445 PolarHBondContact ND2-OG 2.96Å; N443-S445 PolarHBondContact O-N 3.37Å; N443-S445 PolarHBondContact OD1-OG 3.28Å; N443-G446 PolarHBondContact O-N 2.94Å; N443-G446 VanDerWaalsContact O-N 3.13Å; N443-G446 WeakPolarHBondContact OD1-CA 3.5Å; N443-G446 PolarHBondContact OD1-N 3.46Å; N443-S447 PolarHBondContact O-N 2.95Å; N443-S447 PolarHBondContact O-OG 2.65Å
444V92.7Very high92.5Very high46 Ų4652.6 Ų52.628%0.27926%0.259SS..Hα-helixtrans-55.1-49.2-179.2178.80000111.3K384 L387 G446 S447 E448K384-V444 HydrophobicContact CG-CG1 4.1Å; L387-V444 HydrophobicContact CB-CG2 4.04Å; V444-G446 VanDerWaalsContact C-N 3.29Å; V444-G446 PolarHBondContact O-N 3.4Å; V444-S447 WeakPolarHBondContact O-CA 2.96Å; V444-S447 WeakPolarHBondContact O-CB 3.24Å; V444-S447 PolarHBondContact O-N 3.07Å; V444-E448 HydrophobicContact CG1-CG 4.4Å; V444-E448 WeakPolarHBondContact O-CG 3.4Å; V444-E448 PolarHBondContact O-N 3.11Å
445S92.8Very high92.4Very high69 Ų6949.6 Ų49.648%0.48325%0.248SC..Hα-helixtrans-63.8-32.6179.259.10000113.8N443 E448 R449N443-S445 VanDerWaalsContact C-N 3.35Å; N443-S445 PolarHBondContact ND2-OG 2.96Å; N443-S445 PolarHBondContact O-N 3.37Å; N443-S445 PolarHBondContact OD1-OG 3.28Å; S445-E448 WeakPolarHBondContact CA-OE2 3.44Å; S445-R449 WeakPolarHBondContact O-CB 3.04Å; S445-R449 PolarHBondContact O-N 3.12Å
446G90.9Very high92.5Very high17 Ų1749.5 Ų49.518%0.17525%0.248CC..Hα-helixtrans-68.5-36.217300000112.6N443 V444 R450N443-G446 PolarHBondContact O-N 2.94Å; N443-G446 VanDerWaalsContact O-N 3.13Å; N443-G446 WeakPolarHBondContact OD1-CA 3.5Å; N443-G446 PolarHBondContact OD1-N 3.46Å; V444-G446 VanDerWaalsContact C-N 3.29Å; V444-G446 PolarHBondContact O-N 3.4Å; G446-R450 VanDerWaalsContact C-NH1 3.33Å; G446-R450 WeakPolarHBondContact O-CG 3.39Å; G446-R450 PolarHBondContact O-N 3.02Å; G446-R450 PolarHBondContact O-NH1 3.26Å
447S93.2Very high92.6Very high0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-71.3-43.7174.2-60.50000111.3E383 S442 N443 V444 R449 R450 E451E383-S447 WeakPolarHBondContact CG-OG 3.38Å; E383-S447 PolarHBondContact OE2-OG 2.67Å; S442-S447 PolarHBondContact OG-OG 3.05Å; N443-S447 PolarHBondContact O-N 2.95Å; N443-S447 PolarHBondContact O-OG 2.65Å; V444-S447 WeakPolarHBondContact O-CA 2.96Å; V444-S447 WeakPolarHBondContact O-CB 3.24Å; V444-S447 PolarHBondContact O-N 3.07Å; S447-R449 PolarHBondContact O-N 3.46Å; S447-R450 CarbonylContact O-C 3.21Å; S447-R450 PolarHBondContact O-N 3.37Å; S447-E451 WeakPolarHBondContact O-CB 3.37Å; S447-E451 PolarHBondContact O-N 2.73Å
448E94.8Very high92.5Very high71 Ų7148.3 Ų48.333%0.33226%0.259SS..Hα-helixtrans-57-47.1173.6-71.9171.6157.400111.6K384 V444 S445 R450 E451 D452K384-E448 HydrophobicContact CD-CG 3.76Å; K384-E448 WeakPolarHBondContact CE-OE1 3.27Å; K384-E448 HydrophobicContact CG-CG 4.01Å; V444-E448 HydrophobicContact CG1-CG 4.4Å; V444-E448 WeakPolarHBondContact O-CG 3.4Å; V444-E448 PolarHBondContact O-N 3.11Å; S445-E448 WeakPolarHBondContact CA-OE2 3.44Å; E448-R450 PolarHBondContact O-N 2.87Å; E448-E451 WeakPolarHBondContact O-CA 3.42Å; E448-E451 WeakPolarHBondContact O-CB 3.44Å; E448-E451 PolarHBondContact O-N 2.86Å; E448-E451 VanDerWaalsContact O-N 3.11Å; E448-D452 PolarHBondContact O-N 3.23Å
449R92.2Very high92.6Very high183 Ų18348.4 Ų48.469%0.69126%0.258SS*.Hα-helixtrans-60.4-31.9176-175.4178.3-179.8-175.93.9113.1S445 S447 L453S445-R449 WeakPolarHBondContact O-CB 3.04Å; S445-R449 PolarHBondContact O-N 3.12Å; S447-R449 PolarHBondContact O-N 3.46Å; R449-L453 HydrophobicContact CG-CD1 4.44Å; R449-L453 WeakPolarHBondContact O-CD1 3.27Å; R449-L453 VanDerWaalsContact O-CG 3.23Å; R449-L453 WeakPolarHBondContact O-CG 3.19Å; R449-L453 PolarHBondContact O-N 3.21Å
450R91.8Very high92.7Very high60 Ų6051.8 Ų51.823%0.22628%0.282CS..Hα-helixtrans-80-33.9176.9-72.3-168.8-60.7-85.615.2112W380 E383 S442 G446 S447 E448 L453 S454W380-R450 HydrophobicContact CB-CB 4.14Å; W380-R450 HydrophobicContact CD2-CB 3.74Å; W380-R450 HydrophobicContact CE3-CB 4.33Å; W380-R450 HydrophobicContact CG-CB 3.6Å; E383-R450 IonicContact OE1-NH2 3.69Å; E383-R450 IonicContact OE2-CZ 3.64Å; E383-R450 IonicContact OE2-NH2 3.45Å; E383-R450 PolarHBondContact OE2-NH2 2.99Å; S442-R450 VanDerWaalsContact CB-NH2 3.27Å; S442-R450 PolarHBondContact OG-NH2 2.95Å; G446-R450 VanDerWaalsContact C-NH1 3.33Å; G446-R450 WeakPolarHBondContact O-CG 3.39Å; G446-R450 PolarHBondContact O-N 3.02Å; G446-R450 PolarHBondContact O-NH1 3.26Å; S447-R450 CarbonylContact O-C 3.21Å; S447-R450 PolarHBondContact O-N 3.37Å; E448-R450 PolarHBondContact O-N 2.87Å; R450-L453 PolarHBondContact O-N 2.77Å; R450-S454 PolarHBondContact O-N 2.92Å
451E94Very high92.9Very high3 Ų352.4 Ų52.41%0.01429%0.285CS..Hα-helixtrans-58.6-51169.8175.5176.8-109.800110.5H104 W380 T381 K384 S447 E448 L453 S454 Y457H104-E451 HydrophobicContact CB-CG 4.02Å; H104-E451 WeakPolarHBondContact CB-OE1 3.49Å; H104-E451 IonicContact CE1-OE2 3.56Å; H104-E451 VanDerWaalsContact CG-CD 3.41Å; H104-E451 IonicContact CG-OE1 4Å; H104-E451 IonicContact CG-OE2 3.14Å; H104-E451 WeakPolarHBondContact ND1-CG 3.5Å; H104-E451 IonicContact ND1-OE1 2.79Å; H104-E451 IonicContact ND1-OE2 3.97Å; H104-E451 PolarHBondContact ND1-OE2 2.8Å; W380-E451 HydrophobicContact CB-CB 3.99Å; T381-E451 WeakPolarHBondContact CA-OE1 3.36Å; T381-E451 WeakPolarHBondContact CB-OE1 3.38Å; T381-E451 WeakPolarHBondContact CG2-OE1 3.03Å; T381-E451 PolarHBondContact OG1-OE1 2.75Å; K384-E451 IonicContact NZ-OE2 3.51Å; K384-E451 PolarHBondContact NZ-OE2 2.82Å; S447-E451 WeakPolarHBondContact O-CB 3.37Å; S447-E451 PolarHBondContact O-N 2.73Å; E448-E451 WeakPolarHBondContact O-CA 3.42Å; E448-E451 WeakPolarHBondContact O-CB 3.44Å; E448-E451 PolarHBondContact O-N 2.86Å; E448-E451 VanDerWaalsContact O-N 3.11Å; E451-L453 PolarHBondContact O-N 3.29Å; E451-S454 WeakPolarHBondContact O-CB 3.45Å; E451-S454 PolarHBondContact O-N 3.47Å; E451-Y457 HydrophobicContact CG-CE2 3.87Å; E451-Y457 WeakPolarHBondContact O-CD2 3.44Å
452D92.7Very high93.3Very high112 Ų11253.3 Ų53.360%0.59929%0.293SS*.Hα-helixtrans-62.5-27.5178.7-67.2-21.8000113.8H104 E448 S454H104-D452 IonicContact CE1-OD1 2.78Å; E448-D452 PolarHBondContact O-N 3.23Å; D452-S454 VanDerWaalsContact C-N 3.32Å
453L90Very high93.6Very high101 Ų10153.7 Ų53.753%0.52930%0.296SS..THydrogen-bonded Turntrans-88-3.2177.1-69.9174.7000113.1R449 R450 E451 A455R449-L453 HydrophobicContact CG-CD1 4.44Å; R449-L453 WeakPolarHBondContact O-CD1 3.27Å; R449-L453 VanDerWaalsContact O-CG 3.23Å; R449-L453 WeakPolarHBondContact O-CG 3.19Å; R449-L453 PolarHBondContact O-N 3.21Å; R450-L453 PolarHBondContact O-N 2.77Å; E451-L453 PolarHBondContact O-N 3.29Å; L453-A455 PolarHBondContact O-N 2.91Å
454S93.4Very high93.5Very high12 Ų1254.7 Ų54.78%0.08430%0.298CS..  trans-73.4121.8-177.4-169.60000110.4R450 E451 D452 I456 Y457 E480R450-S454 PolarHBondContact O-N 2.92Å; E451-S454 WeakPolarHBondContact O-CB 3.45Å; E451-S454 PolarHBondContact O-N 3.47Å; D452-S454 VanDerWaalsContact C-N 3.32Å; S454-I456 PolarHBondContact O-N 3.49Å; S454-I456 WeakPolarHBondContact OG-CG2 3.4Å; S454-Y457 PolarHBondContact O-N 3.42Å; S454-E480 WeakPolarHBondContact CA-OE1 3.47Å; S454-E480 PolarHBondContact OG-OE1 2.92Å
455A94.3Very high93.4Very high20 Ų2054 Ų5417%0.16529%0.293CS..G310 helixtrans-66.9-20.3-177.200000112.6L453 Y457 G458 Y459 A476 E480L453-A455 PolarHBondContact O-N 2.91Å; A455-Y457 PolarHBondContact O-N 3.01Å; A455-G458 PolarHBondContact O-N 2.8Å; A455-G458 VanDerWaalsContact O-N 3.11Å; A455-Y459 WeakPolarHBondContact O-CD2 3.38Å; A455-A476 HydrophobicContact CB-CB 3.92Å; A455-E480 HydrophobicContact CB-CG 3.97Å; A455-E480 PolarHBondContact N-OE1 2.91Å
456I96.8Very high93.2Very high2 Ų250.9 Ų50.91%0.0127%0.271CS..G310 helixtrans-60.9-34-178.9-169.163000112.5V377 F378 S454 G458 Y459 I461 A473 A476V377-I456 HydrophobicContact CG1-CB 4.02Å; V377-I456 HydrophobicContact CG1-CD1 3.91Å; V377-I456 HydrophobicContact CG1-CG1 3.51Å; V377-I456 HydrophobicContact CG1-CG2 4.24Å; F378-I456 HydrophobicContact CD1-CG2 3.98Å; F378-I456 HydrophobicContact CE1-CB 4.41Å; F378-I456 HydrophobicContact CE1-CG1 3.76Å; F378-I456 HydrophobicContact CE1-CG2 3.72Å; F378-I456 HydrophobicContact CZ-CG1 3.94Å; S454-I456 PolarHBondContact O-N 3.49Å; S454-I456 WeakPolarHBondContact OG-CG2 3.4Å; I456-G458 PolarHBondContact O-N 3.12Å; I456-Y459 PolarHBondContact O-N 3.03Å; I456-Y459 VanDerWaalsContact O-N 3.08Å; I456-I461 HydrophobicContact CD1-CD1 3.85Å; I456-I461 HydrophobicContact CD1-CG1 4.46Å; I456-I461 HydrophobicContact CG1-CD1 4.32Å; I456-I461 HydrophobicContact CG1-CG1 4.41Å; I456-A473 HydrophobicContact CD1-CB 4.38Å; I456-A476 HydrophobicContact CB-CB 4.14Å; I456-A476 HydrophobicContact CD1-CB 4.15Å
457Y96.7Very high93.2Very high52 Ų5250.1 Ų50.120%0.20426%0.263CS..G310 helixtrans-73.5-8.1-179.6-60.5-62.9000113.8H104 T107 F378 T381 E451 S454 A455H104-Y457 HydrophobicContact CB-CE1 3.83Å; H104-Y457 HydrophobicContact CB-CE2 4.45Å; H104-Y457 AromaticContact CD2-CD1 3.52Å; H104-Y457 AromaticContact CD2-CD2 3.57Å; H104-Y457 AromaticContact CD2-CE1 3.52Å; H104-Y457 AromaticContact CD2-CE2 3.59Å; H104-Y457 AromaticContact CD2-CG 3.55Å; H104-Y457 AromaticContact CD2-CZ 3.56Å; H104-Y457 AromaticContact CG-CZ 3.93Å; H104-Y457 AromaticContact NE2-CD2 3.97Å; T107-Y457 HydrophobicContact CG2-CD1 3.96Å; T107-Y457 HydrophobicContact CG2-CE1 3.99Å; F378-Y457 HydrophobicContact CD1-CE1 4.07Å; F378-Y457 AromaticContact CD1-CZ 3.91Å; F378-Y457 WeakPolarHBondContact CD1-OH 3.43Å; F378-Y457 HydrophobicContact CE1-CE1 4.05Å; T381-Y457 PolarHBondContact OG1-OH 3.38Å; E451-Y457 HydrophobicContact CG-CE2 3.87Å; E451-Y457 WeakPolarHBondContact O-CD2 3.44Å; S454-Y457 PolarHBondContact O-N 3.42Å; A455-Y457 PolarHBondContact O-N 3.01Å
458G94.3Very high93.1Very high70 Ų7050.7 Ų50.772%0.72227%0.266SS*.G310 helixtrans-79.2-4.1168.500000113.9A455 I456A455-G458 PolarHBondContact O-N 2.8Å; A455-G458 VanDerWaalsContact O-N 3.11Å; I456-G458 PolarHBondContact O-N 3.12Å
459Y96Very high93.1Very high52 Ų5247.3 Ų47.320%0.20425%0.25CS..SBendtrans-113.1148-177-64.7-71.8000112.7A455 I456 I461 Y472 K475 A476A455-Y459 WeakPolarHBondContact O-CD2 3.38Å; I456-Y459 PolarHBondContact O-N 3.03Å; I456-Y459 VanDerWaalsContact O-N 3.08Å; Y459-I461 PolarHBondContact O-N 3.16Å; Y459-Y472 AromaticContact CD1-CD1 3.27Å; Y459-Y472 HydrophobicContact CD1-CD1 3.27Å; Y459-Y472 AromaticContact CD1-CE1 3.7Å; Y459-Y472 HydrophobicContact CD1-CE1 3.7Å; Y459-Y472 AromaticContact CD1-CG 3.83Å; Y459-Y472 HydrophobicContact CD1-CG 3.83Å; Y459-Y472 AromaticContact CE1-CD1 3.89Å; Y459-Y472 HydrophobicContact CE1-CD1 3.89Å; Y459-Y472 HydrophobicContact CE1-CE1 4.33Å; Y459-Y472 AromaticContact CG-CD1 3.72Å; Y459-Y472 HydrophobicContact CG-CD1 3.72Å; Y459-Y472 HydrophobicContact CG-CE1 4.45Å; Y459-Y472 AromaticContact CG-CG 3.77Å; Y459-Y472 HydrophobicContact CG-CG 3.77Å; Y459-K475 HydrophobicContact CE1-CD 4.19Å; Y459-K475 WeakPolarHBondContact OH-CD 3.35Å; Y459-K475 WeakPolarHBondContact OH-CG 3.42Å; Y459-A476 HydrophobicContact CD2-CB 4.23Å; Y459-A476 HydrophobicContact CE2-CB 3.93Å
460P95.5Very high93.2Very high87 Ų8739 Ų3957%0.56522%0.219SC*.  trans-79.684.9-178.732.6-34.5000111.2Y472P460-Y472 HydrophobicContact CG-CE2 3.74Å
461I97Very high93.3Very high12 Ų1236.9 Ų36.96%0.06221%0.211CC..  trans-75.8129.1176.2-55-56000110.6T107 K110 F111 I456 Y459 N469 Y472T107-I461 HydrophobicContact CG2-CB 3.8Å; T107-I461 HydrophobicContact CG2-CG1 3.83Å; T107-I461 HydrophobicContact CG2-CG2 4.26Å; K110-I461 HydrophobicContact CB-CG2 4.21Å; K110-I461 WeakPolarHBondContact CD-O 3.45Å; F111-I461 HydrophobicContact CB-CG2 3.91Å; F111-I461 HydrophobicContact CD2-CD1 4.47Å; F111-I461 HydrophobicContact CD2-CG2 4.1Å; I456-I461 HydrophobicContact CD1-CD1 3.85Å; I456-I461 HydrophobicContact CD1-CG1 4.46Å; I456-I461 HydrophobicContact CG1-CD1 4.32Å; I456-I461 HydrophobicContact CG1-CG1 4.41Å; Y459-I461 PolarHBondContact O-N 3.16Å; I461-N469 WeakPolarHBondContact CA-OD1 3.45Å; I461-N469 HydrophobicContact CD1-CB 4.43Å; I461-Y472 HydrophobicContact CD1-CD2 4.24Å
462N94.4Very high93.4Very high68 Ų6837.9 Ų37.936%0.36422%0.215SC..  trans-130.8144.5-175.9-172-2.9000112.1A114 E464 D465 N469A114-N462 WeakPolarHBondContact CB-O 3.5Å; N462-E464 PolarHBondContact O-N 3.47Å; N462-E464 PolarHBondContact OD1-N 2.85Å; N462-D465 HydrophobicContact CB-CB 4.06Å; N462-D465 VanDerWaalsContact CB-OD2 3.24Å; N462-D465 WeakPolarHBondContact CB-OD2 3.31Å; N462-D465 PolarHBondContact ND2-OD2 3.24Å; N462-D465 PolarHBondContact O-N 3.33Å; N462-N469 PolarHBondContact N-OD1 2.76Å; N462-N469 VanDerWaalsContact N-OD1 3.09Å; N462-N469 PolarHBondContact O-ND2 2.94Å
463A92.3Very high93.5Very high10 Ų1032.6 Ų32.68%0.08319%0.187CC..THydrogen-bonded Turntrans-69.4-14.3-177.900000114.4K110 E113 A114K110-A463 HydrophobicContact CB-CB 4.3Å; K110-A463 HydrophobicContact CG-CB 4.36Å; K110-A463 WeakPolarHBondContact O-CA 3.29Å; E113-A463 HydrophobicContact CB-CB 4.14Å; E113-A463 WeakPolarHBondContact OE2-CB 3.34Å; A114-A463 VanDerWaalsContact CA-O 3.22Å; A114-A463 WeakPolarHBondContact CA-O 3.47Å; A114-A463 WeakPolarHBondContact CB-O 3.19Å; A114-A463 PolarHBondContact N-O 3.33Å
464E88.1Confident93.7Very high101 Ų10128.6 Ų28.647%0.47217%0.165SC..THydrogen-bonded Turntrans-99.8-9.4176.4-49.7-49.8147.500113.2K117 H125 Q129 N462K117-E464 IonicContact NZ-OE1 2.64Å; K117-E464 PolarHBondContact NZ-OE1 2.81Å; K117-E464 IonicContact NZ-OE2 3.28Å; K117-E464 PolarHBondContact NZ-OE2 2.89Å; H125-E464 PolarHBondContact NE2-O 3.23Å; Q129-E464 PolarHBondContact NE2-O 2.75Å; N462-E464 PolarHBondContact O-N 3.47Å; N462-E464 PolarHBondContact OD1-N 2.85Å
465D89.7Confident93.8Very high31 Ų3129.8 Ų29.817%0.16617%0.169CC..  trans-11061.6-164.9-63.2-42.3000114.2Q129 N462 V467 L468 N469Q129-D465 PolarHBondContact NE2-OD1 3.18Å; Q129-D465 VanDerWaalsContact NE2-OD1 3.12Å; N462-D465 HydrophobicContact CB-CB 4.06Å; N462-D465 VanDerWaalsContact CB-OD2 3.24Å; N462-D465 WeakPolarHBondContact CB-OD2 3.31Å; N462-D465 PolarHBondContact ND2-OD2 3.24Å; N462-D465 PolarHBondContact O-N 3.33Å; D465-V467 PolarHBondContact O-N 3.45Å; D465-L468 HydrophobicContact CB-CB 4.04Å; D465-L468 HydrophobicContact CB-CD2 4.45Å; D465-L468 PolarHBondContact O-N 3.4Å; D465-N469 WeakPolarHBondContact O-CB 3.18Å; D465-N469 PolarHBondContact O-N 3.04Å; D465-N469 PolarHBondContact O-ND2 2.8Å; D465-N469 PolarHBondContact O-OD1 2.67Å
466H88.9Confident93.9Very high4 Ų428.9 Ų28.92%0.01916%0.162CC..Hα-helixtrans-56.9-51.2-176-175.952000113.7A114 C115 L468 N469 E470A114-H466 HydrophobicContact CB-CB 4.41Å; A114-H466 WeakPolarHBondContact O-CB 3.41Å; C115-H466 WeakPolarHBondContact CA-ND1 3.36Å; H466-L468 PolarHBondContact O-N 2.93Å; H466-N469 PolarHBondContact O-N 3.42Å; H466-E470 IonicContact CE1-OE1 3.67Å; H466-E470 PolarHBondContact O-N 3.05Å
467V90.9Very high93.7Very high2 Ų232.2 Ų32.21%0.01218%0.178CC..Hα-helixtrans-63-44.6-176.7178.80000110.9V126 Q129 L130 L133 L346 D465 E470 Y471V126-V467 HydrophobicContact CG1-CG2 4.11Å; Q129-V467 HydrophobicContact CB-CB 3.91Å; Q129-V467 HydrophobicContact CB-CG1 4.27Å; Q129-V467 HydrophobicContact CB-CG2 4.19Å; Q129-V467 VanDerWaalsContact OE1-CG2 3.26Å; L130-V467 HydrophobicContact CD2-CG1 3.88Å; L130-V467 HydrophobicContact CG-CG1 4.43Å; L133-V467 HydrophobicContact CD1-CG1 3.69Å; L346-V467 HydrophobicContact CD1-CG2 4.17Å; L346-V467 HydrophobicContact CD2-CG2 4.18Å; D465-V467 PolarHBondContact O-N 3.45Å; V467-E470 PolarHBondContact O-N 3.43Å; V467-Y471 PolarHBondContact O-N 3.15Å
468L92Very high93.6Very high12 Ų1230.3 Ų30.36%0.06317%0.171CC..Hα-helixtrans-68.6-38.5179.8-174.360.1000111.9L133 M136 D465 H466 Y471 Y472L133-L468 HydrophobicContact CD2-CD1 3.43Å; L133-L468 VanDerWaalsContact CD2-CD1 3.43Å; L133-L468 HydrophobicContact CG-CD1 4.38Å; M136-L468 HydrophobicContact CE-CD1 4.43Å; M136-L468 HydrophobicContact SD-CD1 4.34Å; D465-L468 HydrophobicContact CB-CB 4.04Å; D465-L468 HydrophobicContact CB-CD2 4.45Å; D465-L468 PolarHBondContact O-N 3.4Å; H466-L468 PolarHBondContact O-N 2.93Å; L468-Y471 HydrophobicContact CD1-CD1 4.1Å; L468-Y471 WeakPolarHBondContact O-CB 3.34Å; L468-Y471 PolarHBondContact O-N 2.71Å; L468-Y472 HydrophobicContact CD1-CD2 4.41Å; L468-Y472 HydrophobicContact CD1-CE1 4.22Å; L468-Y472 HydrophobicContact CD1-CE2 3.76Å; L468-Y472 HydrophobicContact CD2-CE2 3.89Å; L468-Y472 HydrophobicContact CG-CD2 4.03Å; L468-Y472 HydrophobicContact CG-CE2 3.42Å; L468-Y472 VanDerWaalsContact CG-CE2 3.42Å; L468-Y472 VanDerWaalsContact O-CD2 3.26Å; L468-Y472 WeakPolarHBondContact O-CD2 3.45Å; L468-Y472 PolarHBondContact O-N 2.65Å
469N94.4Very high93.6Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-61.1-43.8174-72-15.1000111.8F111 A114 I461 N462 D465 H466 Y472 A473F111-N469 HydrophobicContact CD2-CB 3.87Å; F111-N469 HydrophobicContact CE2-CB 3.77Å; A114-N469 VanDerWaalsContact CB-ND2 3.31Å; A114-N469 WeakPolarHBondContact CB-ND2 3.08Å; I461-N469 WeakPolarHBondContact CA-OD1 3.45Å; I461-N469 HydrophobicContact CD1-CB 4.43Å; N462-N469 PolarHBondContact N-OD1 2.76Å; N462-N469 VanDerWaalsContact N-OD1 3.09Å; N462-N469 PolarHBondContact O-ND2 2.94Å; D465-N469 WeakPolarHBondContact O-CB 3.18Å; D465-N469 PolarHBondContact O-N 3.04Å; D465-N469 PolarHBondContact O-ND2 2.8Å; D465-N469 PolarHBondContact O-OD1 2.67Å; H466-N469 PolarHBondContact O-N 3.42Å; N469-Y472 PolarHBondContact O-N 3.23Å; N469-A473 WeakPolarHBondContact O-CB 3.5Å; N469-A473 PolarHBondContact O-N 3.28Å
470E93.2Very high93.4Very high7 Ų726.1 Ų26.13%0.03314%0.135CC..Hα-helixtrans-66.5-35.9176.6-74.9-63.4156.900112.1F111 R373 H466 V467 A473 Q474F111-E470 WeakPolarHBondContact CE1-OE1 3.44Å; F111-E470 HydrophobicContact CZ-CG 4.5Å; F111-E470 WeakPolarHBondContact CZ-OE1 3.44Å; R373-E470 WeakPolarHBondContact CD-OE1 3.04Å; R373-E470 IonicContact CZ-OE1 3.59Å; R373-E470 IonicContact NE-OE1 3.21Å; R373-E470 PolarHBondContact NE-OE1 3.44Å; R373-E470 IonicContact NE-OE2 3.8Å; R373-E470 PolarHBondContact NE-OE2 2.9Å; R373-E470 VanDerWaalsContact NE-OE2 3.12Å; H466-E470 IonicContact CE1-OE1 3.67Å; H466-E470 PolarHBondContact O-N 3.05Å; V467-E470 PolarHBondContact O-N 3.43Å; E470-A473 WeakPolarHBondContact O-CB 3.43Å; E470-A473 PolarHBondContact O-N 3.04Å; E470-Q474 VanDerWaalsContact O-CG 3.31Å; E470-Q474 WeakPolarHBondContact O-CG 3.3Å; E470-Q474 PolarHBondContact O-N 2.97Å; E470-Q474 PolarHBondContact O-NE2 3.14Å
471Y94.1Very high93.1Very high16 Ų1624.8 Ų24.86%0.06312%0.12CC..Hα-helixtrans-61-48.7171.1165.6-103.6000111.9L133 T176 F338 V467 L468 A473 Q474 K475L133-Y471 HydrophobicContact CD1-CG 4.36Å; L133-Y471 HydrophobicContact CD2-CD1 3.53Å; L133-Y471 HydrophobicContact CD2-CD2 4.21Å; L133-Y471 HydrophobicContact CD2-CE1 4.02Å; L133-Y471 HydrophobicContact CD2-CG 3.61Å; T176-Y471 HydrophobicContact CG2-CD2 3.84Å; T176-Y471 HydrophobicContact CG2-CE2 3.72Å; T176-Y471 WeakPolarHBondContact OG1-CE2 3.45Å; F338-Y471 HydrophobicContact CE2-CD2 4.23Å; F338-Y471 AromaticContact CE2-CE2 3.79Å; F338-Y471 HydrophobicContact CE2-CE2 3.79Å; F338-Y471 AromaticContact CZ-CD2 3.96Å; F338-Y471 HydrophobicContact CZ-CD2 3.96Å; F338-Y471 AromaticContact CZ-CE2 3.72Å; F338-Y471 HydrophobicContact CZ-CE2 3.72Å; V467-Y471 PolarHBondContact O-N 3.15Å; L468-Y471 HydrophobicContact CD1-CD1 4.1Å; L468-Y471 WeakPolarHBondContact O-CB 3.34Å; L468-Y471 PolarHBondContact O-N 2.71Å; Y471-A473 VanDerWaalsContact C-N 3.34Å; Y471-A473 PolarHBondContact O-N 2.65Å; Y471-Q474 PolarHBondContact O-N 2.89Å; Y471-K475 PolarHBondContact O-N 3.42Å; Y471-K475 VanDerWaalsContact O-N 3.12Å
472Y95.9Very high92.9Very high24 Ų2424.3 Ų24.39%0.09412%0.117CC..Hα-helixtrans-63.6-38.8176.8-67.8-40.7000112.7Y459 P460 I461 L468 N469 K475 A476Y459-Y472 AromaticContact CD1-CD1 3.27Å; Y459-Y472 HydrophobicContact CD1-CD1 3.27Å; Y459-Y472 AromaticContact CD1-CE1 3.7Å; Y459-Y472 HydrophobicContact CD1-CE1 3.7Å; Y459-Y472 AromaticContact CD1-CG 3.83Å; Y459-Y472 HydrophobicContact CD1-CG 3.83Å; Y459-Y472 AromaticContact CE1-CD1 3.89Å; Y459-Y472 HydrophobicContact CE1-CD1 3.89Å; Y459-Y472 HydrophobicContact CE1-CE1 4.33Å; Y459-Y472 AromaticContact CG-CD1 3.72Å; Y459-Y472 HydrophobicContact CG-CD1 3.72Å; Y459-Y472 HydrophobicContact CG-CE1 4.45Å; Y459-Y472 AromaticContact CG-CG 3.77Å; Y459-Y472 HydrophobicContact CG-CG 3.77Å; P460-Y472 HydrophobicContact CG-CE2 3.74Å; I461-Y472 HydrophobicContact CD1-CD2 4.24Å; L468-Y472 HydrophobicContact CD1-CD2 4.41Å; L468-Y472 HydrophobicContact CD1-CE1 4.22Å; L468-Y472 HydrophobicContact CD1-CE2 3.76Å; L468-Y472 HydrophobicContact CD2-CE2 3.89Å; L468-Y472 HydrophobicContact CG-CD2 4.03Å; L468-Y472 HydrophobicContact CG-CE2 3.42Å; L468-Y472 VanDerWaalsContact CG-CE2 3.42Å; L468-Y472 VanDerWaalsContact O-CD2 3.26Å; L468-Y472 WeakPolarHBondContact O-CD2 3.45Å; L468-Y472 PolarHBondContact O-N 2.65Å; N469-Y472 PolarHBondContact O-N 3.23Å; Y472-K475 PolarHBondContact O-N 3.14Å; Y472-A476 VanDerWaalsContact O-CB 3.29Å; Y472-A476 WeakPolarHBondContact O-CB 3.32Å; Y472-A476 PolarHBondContact O-N 2.8Å
473A96.4Very high92.6Very high1 Ų123.4 Ų23.41%0.00811%0.109CC..Hα-helixtrans-56.3-49.4172.900000112.3F111 V377 I456 N469 E470 Y471 K475 A476 M477F111-A473 HydrophobicContact CE2-CB 4.1Å; F111-A473 HydrophobicContact CZ-CB 4.32Å; V377-A473 HydrophobicContact CG2-CB 3.56Å; I456-A473 HydrophobicContact CD1-CB 4.38Å; N469-A473 WeakPolarHBondContact O-CB 3.5Å; N469-A473 PolarHBondContact O-N 3.28Å; E470-A473 WeakPolarHBondContact O-CB 3.43Å; E470-A473 PolarHBondContact O-N 3.04Å; Y471-A473 VanDerWaalsContact C-N 3.34Å; Y471-A473 PolarHBondContact O-N 2.65Å; A473-K475 PolarHBondContact O-N 3.31Å; A473-A476 PolarHBondContact O-N 3.17Å; A473-M477 WeakPolarHBondContact O-CB 3.3Å; A473-M477 WeakPolarHBondContact O-CG 3.39Å; A473-M477 PolarHBondContact O-N 3.01Å
474Q94.1Very high92.2Very high17 Ų1726.6 Ų26.68%0.07912%0.119CC..Hα-helixtrans-59.3-48.3178.5-71.8172.556.300111.6T176 E470 Y471 A476 M477 Y478T176-Q474 HydrophobicContact CG2-CB 4.07Å; T176-Q474 CarbonylContact O-C 3.59Å; E470-Q474 VanDerWaalsContact O-CG 3.31Å; E470-Q474 WeakPolarHBondContact O-CG 3.3Å; E470-Q474 PolarHBondContact O-N 2.97Å; E470-Q474 PolarHBondContact O-NE2 3.14Å; Y471-Q474 PolarHBondContact O-N 2.89Å; Q474-A476 PolarHBondContact O-N 3.47Å; Q474-M477 PolarHBondContact O-N 3.38Å; Q474-Y478 WeakPolarHBondContact O-CB 3.46Å; Q474-Y478 PolarHBondContact O-N 3.28Å
475K95Very high92.2Very high37 Ų3725.3 Ų25.316%0.16111%0.11CC..Hα-helixtrans-61.6-45.4179.7-168.3172.5-178.3171.30112.4T176 Y459 Y471 Y472 A473 Y478 S479T176-K475 HydrophobicContact CG2-CB 4.41Å; Y459-K475 HydrophobicContact CE1-CD 4.19Å; Y459-K475 WeakPolarHBondContact OH-CD 3.35Å; Y459-K475 WeakPolarHBondContact OH-CG 3.42Å; Y471-K475 PolarHBondContact O-N 3.42Å; Y471-K475 VanDerWaalsContact O-N 3.12Å; Y472-K475 PolarHBondContact O-N 3.14Å; A473-K475 PolarHBondContact O-N 3.31Å; K475-Y478 PolarHBondContact O-N 3.24Å; K475-S479 WeakPolarHBondContact O-CB 3.35Å; K475-S479 PolarHBondContact O-N 2.82Å
476A95.8Very high92Very high2 Ų224 Ų242%0.01710%0.102CC..Hα-helixtrans-60-50.5176.200000111.7A455 I456 Y459 Y472 A473 Q474 Y478 S479 E480A455-A476 HydrophobicContact CB-CB 3.92Å; I456-A476 HydrophobicContact CB-CB 4.14Å; I456-A476 HydrophobicContact CD1-CB 4.15Å; Y459-A476 HydrophobicContact CD2-CB 4.23Å; Y459-A476 HydrophobicContact CE2-CB 3.93Å; Y472-A476 VanDerWaalsContact O-CB 3.29Å; Y472-A476 WeakPolarHBondContact O-CB 3.32Å; Y472-A476 PolarHBondContact O-N 2.8Å; A473-A476 PolarHBondContact O-N 3.17Å; Q474-A476 PolarHBondContact O-N 3.47Å; A476-Y478 VanDerWaalsContact C-N 3.35Å; A476-Y478 PolarHBondContact O-N 3.27Å; A476-S479 PolarHBondContact O-N 3.28Å; A476-E480 WeakPolarHBondContact O-CG 3.31Å; A476-E480 PolarHBondContact O-N 2.87Å
477M93.8Very high91.5Very high72 Ų7230 Ų3036%0.35513%0.129SC..Hα-helixtrans-62.9-39.6-179.3-71.2174.569.100112.4T376 V377 A473 Q474 K481T376-M477 HydrophobicContact CG2-CE 3.58Å; T376-M477 HydrophobicContact CG2-SD 4.15Å; V377-M477 HydrophobicContact CG2-CG 4.22Å; V377-M477 HydrophobicContact CG2-SD 3.72Å; A473-M477 WeakPolarHBondContact O-CB 3.3Å; A473-M477 WeakPolarHBondContact O-CG 3.39Å; A473-M477 PolarHBondContact O-N 3.01Å; Q474-M477 PolarHBondContact O-N 3.38Å; M477-K481 WeakPolarHBondContact O-CB 3.43Å; M477-K481 PolarHBondContact O-N 3.19Å
478Y94.4Very high90.4Very high12 Ų1233.3 Ų33.35%0.04714%0.143CC..Hα-helixtrans-65-48176176.9-116000111.5I174 T176 T177 G178 L185 V288 Q474 K475 A476 E480 K481 L482I174-Y478 WeakPolarHBondContact O-CE1 3.32Å; T176-Y478 WeakPolarHBondContact O-CB 3.43Å; T177-Y478 WeakPolarHBondContact O-CD2 3.22Å; G178-Y478 VanDerWaalsContact CA-OH 3.28Å; G178-Y478 WeakPolarHBondContact CA-OH 3.4Å; L185-Y478 PolarHBondContact O-OH 3.07Å; V288-Y478 HydrophobicContact CG1-CE1 4.03Å; Q474-Y478 WeakPolarHBondContact O-CB 3.46Å; Q474-Y478 PolarHBondContact O-N 3.28Å; K475-Y478 PolarHBondContact O-N 3.24Å; A476-Y478 VanDerWaalsContact C-N 3.35Å; A476-Y478 PolarHBondContact O-N 3.27Å; Y478-E480 VanDerWaalsContact C-N 3.3Å; Y478-E480 PolarHBondContact O-N 3.32Å; Y478-K481 WeakPolarHBondContact O-CB 3.26Å; Y478-K481 PolarHBondContact O-N 2.91Å; Y478-K481 VanDerWaalsContact O-N 3.15Å; Y478-L482 HydrophobicContact CD1-CD1 4.35Å; Y478-L482 HydrophobicContact CD2-CG 4.48Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 HydrophobicContact CE1-CG 4.33Å; Y478-L482 HydrophobicContact CE2-CD1 4.2Å; Y478-L482 HydrophobicContact CE2-CD2 3.93Å; Y478-L482 HydrophobicContact CE2-CG 4Å; Y478-L482 WeakPolarHBondContact O-CG 3.17Å; Y478-L482 PolarHBondContact O-N 3.35Å
479S93.4Very high88.5Confident3 Ų335.5 Ų35.52%0.02116%0.163CC..Hα-helixtrans-56.9-43.2176175.30000112.2Q291 T292 K475 A476 L482 R483Q291-S479 VanDerWaalsContact C-OG 3.28Å; Q291-S479 PolarHBondContact O-OG 3.19Å; T292-S479 WeakPolarHBondContact CA-OG 3.39Å; K475-S479 WeakPolarHBondContact O-CB 3.35Å; K475-S479 PolarHBondContact O-N 2.82Å; A476-S479 PolarHBondContact O-N 3.28Å; S479-L482 PolarHBondContact O-N 2.87Å; S479-R483 WeakPolarHBondContact O-CB 3.4Å; S479-R483 PolarHBondContact O-N 3.38Å; S479-R483 PolarHBondContact OG-NH2 2.85Å
480E91.4Very high86.7Confident31 Ų3137 Ų3715%0.14518%0.177CC..Hα-helixtrans-66.8-40.3176-73.9175.817200113.3S454 A455 A476 Y478 L482 R483 R484S454-E480 WeakPolarHBondContact CA-OE1 3.47Å; S454-E480 PolarHBondContact OG-OE1 2.92Å; A455-E480 HydrophobicContact CB-CG 3.97Å; A455-E480 PolarHBondContact N-OE1 2.91Å; A476-E480 WeakPolarHBondContact O-CG 3.31Å; A476-E480 PolarHBondContact O-N 2.87Å; Y478-E480 VanDerWaalsContact C-N 3.3Å; Y478-E480 PolarHBondContact O-N 3.32Å; E480-L482 VanDerWaalsContact C-N 3.31Å; E480-L482 PolarHBondContact O-N 3.44Å; E480-R483 PolarHBondContact O-N 3.22Å; E480-R484 VanDerWaalsContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CB 3.43Å; E480-R484 VanDerWaalsContact O-CG 3.25Å; E480-R484 WeakPolarHBondContact O-CG 3.32Å; E480-R484 PolarHBondContact O-N 2.99Å
481K90.4Very high84.8Confident59 Ų5943.9 Ų43.926%0.25721%0.207SC..Hα-helixtrans-55.4-49.6174.8-175.7-172.370.5164.20109.8D186 M477 Y478 R484 R485D186-K481 WeakPolarHBondContact OD1-CE 3.37Å; D186-K481 IonicContact OD1-NZ 3.4Å; D186-K481 WeakPolarHBondContact OD2-CE 3.33Å; D186-K481 IonicContact OD2-NZ 2.75Å; D186-K481 PolarHBondContact OD2-NZ 3.19Å; M477-K481 WeakPolarHBondContact O-CB 3.43Å; M477-K481 PolarHBondContact O-N 3.19Å; Y478-K481 WeakPolarHBondContact O-CB 3.26Å; Y478-K481 PolarHBondContact O-N 2.91Å; Y478-K481 VanDerWaalsContact O-N 3.15Å; K481-R484 PolarHBondContact O-N 3.03Å; K481-R485 WeakPolarHBondContact O-CG 3.14Å; K481-R485 PolarHBondContact O-N 3.41Å; K481-R485 VanDerWaalsContact O-N 3.12Å
482L91.7Very high82.9Confident1 Ų144.9 Ų44.91%0.00522%0.215CC..Hα-helixtrans-61.3-52.4176.8-62.9-178.6000111.2I187 V288 F289 T292 Y478 S479 E480 R484 R485 I486I187-L482 HydrophobicContact CG1-CD2 3.92Å; V288-L482 HydrophobicContact CG1-CD1 3.57Å; F289-L482 HydrophobicContact CE1-CD1 4.29Å; T292-L482 HydrophobicContact CG2-CB 3.71Å; T292-L482 HydrophobicContact CG2-CD1 3.94Å; T292-L482 HydrophobicContact CG2-CG 4.49Å; Y478-L482 HydrophobicContact CD1-CD1 4.35Å; Y478-L482 HydrophobicContact CD2-CG 4.48Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 HydrophobicContact CE1-CG 4.33Å; Y478-L482 HydrophobicContact CE2-CD1 4.2Å; Y478-L482 HydrophobicContact CE2-CD2 3.93Å; Y478-L482 HydrophobicContact CE2-CG 4Å; Y478-L482 WeakPolarHBondContact O-CG 3.17Å; Y478-L482 PolarHBondContact O-N 3.35Å; S479-L482 PolarHBondContact O-N 2.87Å; E480-L482 VanDerWaalsContact C-N 3.31Å; E480-L482 PolarHBondContact O-N 3.44Å; L482-R484 VanDerWaalsContact C-N 3.26Å; L482-R484 PolarHBondContact O-N 3.3Å; L482-R485 PolarHBondContact O-N 3.43Å; L482-R485 VanDerWaalsContact O-N 3.16Å; L482-I486 VanDerWaalsContact O-CG1 3.27Å; L482-I486 WeakPolarHBondContact O-CG1 3.46Å; L482-I486 PolarHBondContact O-N 3.33Å
483R88.3Confident80.8Confident49 Ų4945.2 Ų45.219%0.18522%0.221CC..Hα-helixtrans-53.1-43.8179.5-174.6-173.7-65.7123.56.8112Q291 T292 S479 E480 K487Q291-R483 PolarHBondContact O-NH2 3.27Å; T292-R483 PolarHBondContact O-NE 3.19Å; T292-R483 PolarHBondContact O-NH2 2.87Å; T292-R483 VanDerWaalsContact O-NH2 3.14Å; S479-R483 WeakPolarHBondContact O-CB 3.4Å; S479-R483 PolarHBondContact O-N 3.38Å; S479-R483 PolarHBondContact OG-NH2 2.85Å; E480-R483 PolarHBondContact O-N 3.22Å; R483-K487 HydrophobicContact CG-CD 4.26Å; R483-K487 WeakPolarHBondContact O-CB 3.41Å; R483-K487 WeakPolarHBondContact O-CG 3.41Å; R483-K487 PolarHBondContact O-N 3.35Å
484R85.2Confident79Confident77 Ų7747.6 Ų47.629%0.29123%0.234SC..Hα-helixtrans-64.4-48.3179.4-77.5176.4132.1172.7-1.7111.8W380 E480 K481 L482 I486 K487 K488 D496W380-R484 VanDerWaalsContact CZ2-NH2 3.32Å; E480-R484 VanDerWaalsContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CB 3.43Å; E480-R484 VanDerWaalsContact O-CG 3.25Å; E480-R484 WeakPolarHBondContact O-CG 3.32Å; E480-R484 PolarHBondContact O-N 2.99Å; K481-R484 PolarHBondContact O-N 3.03Å; L482-R484 VanDerWaalsContact C-N 3.26Å; L482-R484 PolarHBondContact O-N 3.3Å; R484-I486 VanDerWaalsContact C-N 3.32Å; R484-I486 PolarHBondContact O-N 3.08Å; R484-K487 PolarHBondContact O-N 3.44Å; R484-K488 WeakPolarHBondContact O-CB 3.36Å; R484-K488 PolarHBondContact O-N 3.22Å; R484-D496 IonicContact CZ-OD1 2.94Å; R484-D496 IonicContact CZ-OD2 2.79Å; R484-D496 IonicContact NE-OD1 3.99Å; R484-D496 IonicContact NE-OD2 3.67Å; R484-D496 PolarHBondContact NE-OD2 3.5Å; R484-D496 VanDerWaalsContact NE-OD2 3.15Å; R484-D496 PolarHBondContact NH2-O 3.28Å; R484-D496 IonicContact NH2-OD1 3.96Å; R484-D496 PolarHBondContact NH2-OD1 3.04Å; R484-D496 IonicContact NH2-OD2 2.75Å
485R86.9Confident77.5Confident75 Ų7553.3 Ų53.328%0.28325%0.254SS..Hα-helixtrans-68-31.1-179.9-67.7-174.1-174.9-175.86.4112.8D186 I187 R189 K481 L482D186-R485 IonicContact OD1-CZ 3.78Å; D186-R485 IonicContact OD1-NE 3.66Å; D186-R485 IonicContact OD1-NH1 2.78Å; D186-R485 PolarHBondContact OD1-NH1 2.75Å; D186-R485 IonicContact OD2-CZ 3.52Å; D186-R485 IonicContact OD2-NH1 3.69Å; D186-R485 PolarHBondContact OD2-NH1 3.2Å; D186-R485 IonicContact OD2-NH2 2.81Å; I187-R485 HydrophobicContact CB-CB 3.71Å; I187-R485 HydrophobicContact CG2-CB 3.64Å; I187-R485 WeakPolarHBondContact O-CD 3.38Å; I187-R485 PolarHBondContact O-NH1 2.72Å; I187-R485 VanDerWaalsContact O-NH1 3.15Å; R189-R485 HydrophobicContact CB-CG 4.37Å; K481-R485 WeakPolarHBondContact O-CG 3.14Å; K481-R485 PolarHBondContact O-N 3.41Å; K481-R485 VanDerWaalsContact O-N 3.12Å; L482-R485 PolarHBondContact O-N 3.43Å; L482-R485 VanDerWaalsContact O-N 3.16Å
486I85.3Confident76.5Confident2 Ų254.1 Ų54.11%0.0126%0.26CS..Hα-helixtrans-68.4-51.9172.5-66.3165.8000110.7I187 R192 F289 F294 L300 L482 R484 K488I187-I486 HydrophobicContact CD1-CD1 4.13Å; I187-I486 HydrophobicContact CD1-CG1 3.77Å; I187-I486 HydrophobicContact CG1-CD1 4.2Å; I187-I486 HydrophobicContact CG1-CG1 3.75Å; I187-I486 HydrophobicContact CG2-CG1 4.24Å; R192-I486 VanDerWaalsContact CZ-O 3.26Å; R192-I486 PolarHBondContact NE-O 3Å; R192-I486 PolarHBondContact NH2-O 3.46Å; F289-I486 HydrophobicContact CD1-CD1 4.03Å; F289-I486 HydrophobicContact CE1-CD1 4.15Å; F294-I486 HydrophobicContact CB-CD1 4.28Å; F294-I486 HydrophobicContact CD1-CD1 3.94Å; F294-I486 HydrophobicContact CD1-CG2 3.68Å; F294-I486 HydrophobicContact CD2-CG2 3.7Å; F294-I486 HydrophobicContact CE1-CG2 3.52Å; F294-I486 HydrophobicContact CE2-CG2 3.57Å; F294-I486 HydrophobicContact CG-CD1 4.23Å; F294-I486 HydrophobicContact CG-CG2 3.76Å; F294-I486 HydrophobicContact CZ-CG2 3.49Å; F294-I486 VanDerWaalsContact CZ-CG2 3.49Å; L300-I486 HydrophobicContact CD1-CD1 4.42Å; L300-I486 HydrophobicContact CD1-CG1 4.14Å; L300-I486 HydrophobicContact CD1-CG2 4.5Å; L482-I486 VanDerWaalsContact O-CG1 3.27Å; L482-I486 WeakPolarHBondContact O-CG1 3.46Å; L482-I486 PolarHBondContact O-N 3.33Å; R484-I486 VanDerWaalsContact C-N 3.32Å; R484-I486 PolarHBondContact O-N 3.08Å; I486-K488 PolarHBondContact O-N 2.99Å
487K78.8Confident76Confident132 Ų13254.9 Ų54.957%0.57427%0.265SS*.Hα-helixtrans-69.9-32.9-173.5-74.6-175.2179.8-176.70113.6R192 R483 R484R192-K487 PolarHBondContact NH2-O 3.45Å; R483-K487 HydrophobicContact CG-CD 4.26Å; R483-K487 WeakPolarHBondContact O-CB 3.41Å; R483-K487 WeakPolarHBondContact O-CG 3.41Å; R483-K487 PolarHBondContact O-N 3.35Å; R484-K487 PolarHBondContact O-N 3.44Å
488K68.3Low76Confident71 Ų7152 Ų5231%0.30925%0.253SS..  trans-106.594.6-173.2-66.7176.4175.2-172.80110.9R484 I486 T492 D496R484-K488 WeakPolarHBondContact O-CB 3.36Å; R484-K488 PolarHBondContact O-N 3.22Å; I486-K488 PolarHBondContact O-N 2.99Å; K488-T492 HydrophobicContact CB-CG2 3.61Å; K488-T492 HydrophobicContact CD-CG2 3.66Å; K488-T492 HydrophobicContact CG-CG2 3.95Å; K488-D496 IonicContact NZ-OD1 3.12Å; K488-D496 PolarHBondContact NZ-OD1 3.42Å; K488-D496 IonicContact NZ-OD2 3.47Å; K488-D496 PolarHBondContact NZ-OD2 2.81Å
489A52.8Low76.1Confident58 Ų5851.5 Ų51.548%0.47925%0.25SS..  trans-67.6136.3169.700000110.8R192R192-A489 VanDerWaalsContact CD-CB 3.44Å; R192-A489 HydrophobicContact CG-CB 4Å
490G54.9Low76.2Confident30 Ų3051.5 Ų51.531%0.30925%0.25SS..SBendtrans74.4-170.2168.300000116.1R189 T492R189-G490 PolarHBondContact NE-O 2.94Å; R189-G490 PolarHBondContact NH2-O 3.16Å; R189-G490 VanDerWaalsContact NH2-O 3.15Å; G490-T492 PolarHBondContact O-N 2.89Å
491K53.8Low76.5Confident152 Ų15251.8 Ų51.866%0.66125%0.252SS*.  trans-65.4101178.3-62.3-177179.3-174.70108.7N509 L510K491-N509 PolarHBondContact NZ-ND2 2.87Å; K491-L510 HydrophobicContact CB-CD2 4.39Å
492T54.2Low76.7Confident38 Ų3849.7 Ų49.723%0.23325%0.245CC..  trans-73.9140.8170.362.60000108R189 K488 G490 L494R189-T492 VanDerWaalsContact NH2-CB 3.32Å; R189-T492 VanDerWaalsContact NH2-CG2 3.26Å; R189-T492 PolarHBondContact NH2-OG1 3.22Å; K488-T492 HydrophobicContact CB-CG2 3.61Å; K488-T492 HydrophobicContact CD-CG2 3.66Å; K488-T492 HydrophobicContact CG-CG2 3.95Å; G490-T492 PolarHBondContact O-N 2.89Å; T492-L494 PolarHBondContact OG1-O 3.45Å
493S51.3Low76.9Confident31 Ų3152.5 Ų52.522%0.21726%0.258CS..SBendtrans-74-27.6-178.558.90000114.7R512 H514S493-R512 VanDerWaalsContact CB-CZ 3.47Å; S493-R512 PolarHBondContact OG-NH1 3.24Å; S493-R512 VanDerWaalsContact OG-NH1 3.15Å; S493-H514 PolarHBondContact O-CE1 3.49Å; S493-H514 PolarHBondContact O-NE2 3.15Å; S493-H514 VanDerWaalsContact O-NE2 3.13Å
494L60.4Low77.3Confident51 Ų5151.1 Ų51.127%0.26726%0.257SS..SBendtrans-102.6123180-63.5168.5000108.1F438 Y441 T492 H514F438-L494 HydrophobicContact CB-CD2 4.12Å; F438-L494 HydrophobicContact CD1-CD1 4.45Å; F438-L494 HydrophobicContact CD1-CD2 3.37Å; F438-L494 HydrophobicContact CD1-CG 4.29Å; F438-L494 HydrophobicContact CE1-CD1 4.41Å; F438-L494 HydrophobicContact CE1-CD2 3.87Å; F438-L494 HydrophobicContact CE1-CG 4.34Å; F438-L494 HydrophobicContact CG-CD2 3.76Å; Y441-L494 HydrophobicContact CD1-CD2 4Å; Y441-L494 HydrophobicContact CD2-CB 4.41Å; Y441-L494 HydrophobicContact CD2-CD1 3.98Å; Y441-L494 HydrophobicContact CD2-CD2 3.75Å; Y441-L494 HydrophobicContact CD2-CG 4.24Å; Y441-L494 HydrophobicContact CE2-CB 4.39Å; Y441-L494 HydrophobicContact CE2-CD2 4.32Å; Y441-L494 HydrophobicContact CG-CD1 4.42Å; Y441-L494 HydrophobicContact CG-CD2 3.57Å; T492-L494 PolarHBondContact OG1-O 3.45Å; L494-H514 VanDerWaalsContact CD2-CE1 3.41Å; L494-H514 WeakPolarHBondContact CD2-CE1 3.25Å
495R61.7Low77.7Confident137 Ų13749.2 Ų49.252%0.51725%0.25SC..  trans-60.7138.7164.3-166.4178.7178.7-168-0.7107.2Y441 S497 E503 Y505Y441-R495 PolarHBondContact OH-O 3Å; R495-S497 WeakPolarHBondContact CD-OG 3.44Å; R495-S497 WeakPolarHBondContact CG-OG 3.33Å; R495-S497 PolarHBondContact NE-OG 3.45Å; R495-S497 PolarHBondContact O-N 3.34Å; R495-E503 IonicContact NH1-OE2 3.65Å; R495-E503 PolarHBondContact NH1-OE2 2.77Å; R495-Y505 VanDerWaalsContact CB-OH 3.25Å; R495-Y505 WeakPolarHBondContact CB-OH 3.25Å
496D73Confident78.1Confident53 Ų5346.5 Ų46.528%0.28324%0.24SC..SBendtrans-80.538-176-99.9-33.4000111.5W380 R484 K488W380-D496 WeakPolarHBondContact CH2-O 3.31Å; R484-D496 IonicContact CZ-OD1 2.94Å; R484-D496 IonicContact CZ-OD2 2.79Å; R484-D496 IonicContact NE-OD1 3.99Å; R484-D496 IonicContact NE-OD2 3.67Å; R484-D496 PolarHBondContact NE-OD2 3.5Å; R484-D496 VanDerWaalsContact NE-OD2 3.15Å; R484-D496 PolarHBondContact NH2-O 3.28Å; R484-D496 IonicContact NH2-OD1 3.96Å; R484-D496 PolarHBondContact NH2-OD1 3.04Å; R484-D496 IonicContact NH2-OD2 2.75Å; K488-D496 IonicContact NZ-OD1 3.12Å; K488-D496 PolarHBondContact NZ-OD1 3.42Å; K488-D496 IonicContact NZ-OD2 3.47Å; K488-D496 PolarHBondContact NZ-OD2 2.81Å
497S86.5Confident78.4Confident18 Ų1848.8 Ų48.813%0.12625%0.252CS..  trans-98.3149.1-178.6-64.10000110.3Y441 R495Y441-S497 PolarHBondContact OH-O 3.36Å; R495-S497 WeakPolarHBondContact CD-OG 3.44Å; R495-S497 WeakPolarHBondContact CG-OG 3.33Å; R495-S497 PolarHBondContact NE-OG 3.45Å; R495-S497 PolarHBondContact O-N 3.34Å
498P94Very high79Confident13 Ų1344 Ų448%0.08423%0.233CC..  trans-69.2144.716929.6-33.6000111.1P379 W380 E383 Y500 L501 F516P379-P498 HydrophobicContact CB-CB 4.19Å; P379-P498 HydrophobicContact CB-CG 3.93Å; W380-P498 HydrophobicContact CZ3-CB 4.18Å; E383-P498 HydrophobicContact CB-CB 4.29Å; P498-Y500 VanDerWaalsContact C-N 3.32Å; P498-Y500 HydrophobicContact CB-CD1 3.6Å; P498-Y500 HydrophobicContact CB-CE1 3.25Å; P498-Y500 HydrophobicContact CB-CE2 4.37Å; P498-Y500 HydrophobicContact CB-CG 4.33Å; P498-Y500 HydrophobicContact CG-CD1 4.21Å; P498-Y500 HydrophobicContact CG-CE1 3.53Å; P498-Y500 HydrophobicContact CG-CE2 3.92Å; P498-Y500 WeakPolarHBondContact CG-OH 3.06Å; P498-Y500 PolarHBondContact O-N 3.38Å; P498-L501 HydrophobicContact CG-CD1 4.41Å; P498-L501 HydrophobicContact CG-CG 4.44Å; P498-F516 WeakPolarHBondContact O-CD2 3.46Å; P498-F516 VanDerWaalsContact O-CE2 3.29Å; P498-F516 WeakPolarHBondContact O-CE2 3.37Å
499T95.3Very high79.9Confident0 Ų043.1 Ų43.10%023%0.232CC..THydrogen-bonded Turntrans-81.3-4-176.256.80000113.9E383 Y441 L501 F516 A517 G518E383-T499 WeakPolarHBondContact OE1-CB 3.46Å; E383-T499 PolarHBondContact OE1-N 2.99Å; E383-T499 PolarHBondContact OE1-OG1 3.34Å; Y441-T499 HydrophobicContact CD1-CG2 3.85Å; Y441-T499 HydrophobicContact CD2-CG2 4.24Å; Y441-T499 HydrophobicContact CE1-CG2 3.43Å; Y441-T499 VanDerWaalsContact CE1-CG2 3.43Å; Y441-T499 HydrophobicContact CE2-CG2 3.88Å; Y441-T499 HydrophobicContact CG-CG2 4.22Å; Y441-T499 VanDerWaalsContact CZ-CG2 3.45Å; T499-L501 PolarHBondContact O-N 2.83Å; T499-F516 CarbonylContact O-C 3.42Å; T499-F516 WeakPolarHBondContact O-CB 3.26Å; T499-A517 CarbonylContact O-C 3.54Å; T499-A517 VanDerWaalsContact O-CA 3.29Å; T499-A517 WeakPolarHBondContact O-CA 3.36Å; T499-A517 WeakPolarHBondContact O-CB 3.38Å; T499-A517 PolarHBondContact O-N 3.35Å; T499-G518 PolarHBondContact O-N 3.41Å
500Y97.1Very high81.6Confident4 Ų441.8 Ų41.82%0.01622%0.217CC..THydrogen-bonded Turntrans-73-11.8174.160.2-113.7000113.7T85 F89 K375 P379 L382 E383 F386 P498 G518T85-Y500 HydrophobicContact CG2-CD2 4.1Å; T85-Y500 HydrophobicContact CG2-CG 4.5Å; F89-Y500 HydrophobicContact CE2-CD1 4.22Å; F89-Y500 AromaticContact CE2-CD2 3.73Å; F89-Y500 HydrophobicContact CE2-CD2 3.73Å; F89-Y500 HydrophobicContact CE2-CE1 4.21Å; F89-Y500 AromaticContact CE2-CE2 3.78Å; F89-Y500 HydrophobicContact CE2-CE2 3.78Å; F89-Y500 AromaticContact CE2-CG 4Å; F89-Y500 HydrophobicContact CE2-CG 4Å; F89-Y500 AromaticContact CZ-CD1 3.61Å; F89-Y500 HydrophobicContact CZ-CD1 3.61Å; F89-Y500 AromaticContact CZ-CD2 3.81Å; F89-Y500 HydrophobicContact CZ-CD2 3.81Å; F89-Y500 AromaticContact CZ-CE1 3.91Å; F89-Y500 HydrophobicContact CZ-CE1 3.91Å; F89-Y500 HydrophobicContact CZ-CE2 4.15Å; F89-Y500 AromaticContact CZ-CG 3.56Å; F89-Y500 HydrophobicContact CZ-CG 3.56Å; K375-Y500 WeakPolarHBondContact CB-OH 3.37Å; K375-Y500 HydrophobicContact CD-CE2 4Å; K375-Y500 HydrophobicContact CG-CE2 4.28Å; P379-Y500 WeakPolarHBondContact O-CE1 3.46Å; L382-Y500 HydrophobicContact CB-CE1 3.93Å; E383-Y500 HydrophobicContact CB-CD1 3.87Å; E383-Y500 HydrophobicContact CB-CE1 4.2Å; E383-Y500 HydrophobicContact CG-CD1 4.4Å; F386-Y500 VanDerWaalsContact CG-CB 3.48Å; P498-Y500 VanDerWaalsContact C-N 3.32Å; P498-Y500 HydrophobicContact CB-CD1 3.6Å; P498-Y500 HydrophobicContact CB-CE1 3.25Å; P498-Y500 HydrophobicContact CB-CE2 4.37Å; P498-Y500 HydrophobicContact CB-CG 4.33Å; P498-Y500 HydrophobicContact CG-CD1 4.21Å; P498-Y500 HydrophobicContact CG-CE1 3.53Å; P498-Y500 HydrophobicContact CG-CE2 3.92Å; P498-Y500 WeakPolarHBondContact CG-OH 3.06Å; P498-Y500 PolarHBondContact O-N 3.38Å; Y500-G518 WeakPolarHBondContact O-CA 3.32Å
501L96.1Very high83.5Confident36 Ų3640.5 Ų40.519%0.18820%0.203CC..SBendtrans-67.2140.5175.8-58.4171.3000109.7P498 T499 E503 F516P498-L501 HydrophobicContact CG-CD1 4.41Å; P498-L501 HydrophobicContact CG-CG 4.44Å; T499-L501 PolarHBondContact O-N 2.83Å; L501-E503 HydrophobicContact CB-CG 4.24Å; L501-E503 PolarHBondContact O-N 3.44Å; L501-F516 HydrophobicContact CB-CD2 3.98Å; L501-F516 HydrophobicContact CB-CE2 4.41Å; L501-F516 HydrophobicContact CD1-CE2 4.48Å; L501-F516 WeakPolarHBondContact O-CB 3.28Å
502P96.1Very high85.4Confident15 Ų1535.9 Ų35.910%0.09718%0.181CC..  trans-78.172.2177.232.1-33.8000110.1F78 V81 E82 L519F78-P502 HydrophobicContact CD1-CB 4.45Å; F78-P502 VanDerWaalsContact CD1-O 3.29Å; F78-P502 WeakPolarHBondContact CD1-O 3.37Å; F78-P502 WeakPolarHBondContact O-CG 3.34Å; V81-P502 HydrophobicContact CB-CB 4.06Å; V81-P502 HydrophobicContact CB-CG 4.36Å; V81-P502 HydrophobicContact CG1-CB 3.72Å; V81-P502 HydrophobicContact CG1-CG 4.22Å; E82-P502 HydrophobicContact CB-CG 4.27Å; P502-L519 HydrophobicContact CB-CD2 4.14Å
503E94.7Very high87.3Confident61 Ų6134.1 Ų34.129%0.28517%0.17SC..  trans-125.9144-178.2-68.3-174.9-169.300111.8R495 L501 F516 L519R495-E503 IonicContact NH1-OE2 3.65Å; R495-E503 PolarHBondContact NH1-OE2 2.77Å; L501-E503 HydrophobicContact CB-CG 4.24Å; L501-E503 PolarHBondContact O-N 3.44Å; E503-F516 HydrophobicContact CB-CD1 4.42Å; E503-F516 HydrophobicContact CB-CD2 4.14Å; E503-F516 HydrophobicContact CB-CE2 4.48Å; E503-F516 HydrophobicContact CB-CG 4.12Å; E503-F516 WeakPolarHBondContact O-CB 3.42Å; E503-F516 PolarHBondContact O-N 2.77Å; E503-L519 WeakPolarHBondContact O-CD1 3.45Å
504A96.2Very high89.4Confident19 Ų1932.6 Ų32.616%0.15716%0.16CC..EExtended strand (participates in β ladder)trans-134.3147.8155.900000108H514 L519 I541 E545A504-H514 WeakPolarHBondContact CA-O 3.38Å; A504-L519 HydrophobicContact CB-CD1 3.82Å; A504-I541 HydrophobicContact CB-CG2 3.52Å; A504-E545 HydrophobicContact CB-CG 3.91Å
505Y94.6Very high91.1Very high37 Ų3730.2 Ų30.215%0.14515%0.147CC..EExtended strand (participates in β ladder)trans-157.4149.4175.758.1-92.1000111.6R495 L507 M513 H514 F516 E545R495-Y505 VanDerWaalsContact CB-OH 3.25Å; R495-Y505 WeakPolarHBondContact CB-OH 3.25Å; Y505-L507 HydrophobicContact CD2-CD1 4.46Å; Y505-L507 HydrophobicContact CD2-CD2 3.88Å; Y505-L507 HydrophobicContact CD2-CG 3.79Å; Y505-L507 HydrophobicContact CE2-CD1 3.88Å; Y505-L507 HydrophobicContact CE2-CD2 3.98Å; Y505-L507 HydrophobicContact CE2-CG 3.71Å; Y505-M513 WeakPolarHBondContact O-CA 3.39Å; Y505-H514 HydrophobicContact CD1-CB 4.31Å; Y505-H514 HydrophobicContact CD2-CB 4.27Å; Y505-H514 AromaticContact CD2-CD2 3.97Å; Y505-H514 HydrophobicContact CE1-CB 3.87Å; Y505-H514 HydrophobicContact CE2-CB 3.82Å; Y505-H514 AromaticContact CE2-CD2 3.3Å; Y505-H514 WeakPolarHBondContact CE2-CD2 3.42Å; Y505-H514 AromaticContact CE2-CG 3.6Å; Y505-H514 HydrophobicContact CG-CB 4.49Å; Y505-H514 AromaticContact CZ-CD2 3.82Å; Y505-H514 AromaticContact CZ-CG 3.61Å; Y505-H514 PolarHBondContact N-O 3.08Å; Y505-H514 VanDerWaalsContact N-O 3.09Å; Y505-H514 PolarHBondContact O-N 3.39Å; Y505-F516 HydrophobicContact CD1-CE1 4.35Å; Y505-F516 HydrophobicContact CE1-CD1 4.39Å; Y505-F516 AromaticContact CE1-CE1 3.44Å; Y505-F516 HydrophobicContact CE1-CE1 3.44Å; Y505-F516 VanDerWaalsContact CE1-CE1 3.44Å; Y505-F516 AromaticContact CE1-CZ 3.77Å; Y505-F516 HydrophobicContact CE1-CZ 3.77Å; Y505-E545 VanDerWaalsContact C-OE2 3.25Å; Y505-E545 WeakPolarHBondContact CA-OE2 3.12Å
506Y95.2Very high92.8Very high19 Ų1923.7 Ų23.78%0.07512%0.122CC..EExtended strand (participates in β ladder)trans-101.9128.5168.3-178.1-97.9000111.8K431 T435 T508 N511 R512 M513 E545 H548 A549K431-Y506 VanDerWaalsContact CE-OH 3.26Å; K431-Y506 WeakPolarHBondContact CE-OH 3.5Å; T435-Y506 HydrophobicContact CG2-CD2 4.44Å; T435-Y506 HydrophobicContact CG2-CE2 3.91Å; Y506-T508 VanDerWaalsContact CE1-CA 3.4Å; Y506-T508 HydrophobicContact CE1-CG2 4.05Å; Y506-N511 PolarHBondContact OH-OD1 2.91Å; Y506-R512 CarbonylContact C-O 3.48Å; Y506-R512 WeakPolarHBondContact CA-O 3.11Å; Y506-R512 WeakPolarHBondContact CD2-O 3.49Å; Y506-M513 HydrophobicContact CD2-CB 4.32Å; Y506-E545 WeakPolarHBondContact CB-O 3.38Å; Y506-E545 PolarHBondContact N-OE2 3.38Å; Y506-H548 HydrophobicContact CD1-CB 3.76Å; Y506-H548 HydrophobicContact CG-CB 4.11Å; Y506-A549 HydrophobicContact CD2-CB 4.45Å; Y506-A549 HydrophobicContact CE1-CB 3.95Å; Y506-A549 HydrophobicContact CE2-CB 3.71Å; Y506-A549 VanDerWaalsContact CZ-CA 3.42Å; Y506-A549 VanDerWaalsContact CZ-CB 3.41Å; Y506-A549 WeakPolarHBondContact OH-CA 3.37Å; Y506-A549 WeakPolarHBondContact OH-CB 3.38Å
507L92.4Very high94Very high50 Ų5021.1 Ų21.126%0.26211%0.109SC..EExtended strand (participates in β ladder)trans-99.2100.7172-64.4179.4000109.2Y505 N509 L510 N511 R512Y505-L507 HydrophobicContact CD2-CD1 4.46Å; Y505-L507 HydrophobicContact CD2-CD2 3.88Å; Y505-L507 HydrophobicContact CD2-CG 3.79Å; Y505-L507 HydrophobicContact CE2-CD1 3.88Å; Y505-L507 HydrophobicContact CE2-CD2 3.98Å; Y505-L507 HydrophobicContact CE2-CG 3.71Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.04Å; L507-L510 HydrophobicContact CB-CB 4.29Å; L507-L510 HydrophobicContact CB-CD1 4.5Å; L507-L510 HydrophobicContact CD1-CD1 3.86Å; L507-L510 PolarHBondContact O-N 3.4Å; L507-N511 PolarHBondContact O-N 3.38Å; L507-N511 VanDerWaalsContact O-N 3.09Å; L507-R512 PolarHBondContact N-O 3.12Å; L507-R512 PolarHBondContact O-N 2.94Å
508T91Very high94.5Very high30 Ų3020.3 Ų20.318%0.18410%0.103CC..G310 helixtrans-53.3-49.2-179-36.60000111Y506 L510 N511 E557Y506-T508 VanDerWaalsContact CE1-CA 3.4Å; Y506-T508 HydrophobicContact CE1-CG2 4.05Å; T508-L510 PolarHBondContact O-N 2.78Å; T508-N511 PolarHBondContact O-N 3.42Å; T508-E557 WeakPolarHBondContact CA-OE2 3.44Å; T508-E557 WeakPolarHBondContact CB-OE2 3.49Å; T508-E557 HydrophobicContact CG2-CB 4.04Å; T508-E557 HydrophobicContact CG2-CG 4.12Å; T508-E557 WeakPolarHBondContact CG2-OE2 3.42Å
509N87.2Confident94.7Very high53 Ų5319.7 Ų19.728%0.28310%0.099SC..G310 helixtrans-74.45.9-171.375.2-80.6000113.9K491 L507 E557K491-N509 PolarHBondContact NZ-ND2 2.87Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.04Å; N509-E557 WeakPolarHBondContact CA-OE2 3.28Å; N509-E557 PolarHBondContact N-OE2 3.23Å
510L88.8Confident94.7Very high31 Ų3120.1 Ų20.116%0.16210%0.101CC..G310 helixtrans-131.6-3174.6-65-179.3000112.8K491 L507 T508 R512K491-L510 HydrophobicContact CB-CD2 4.39Å; L507-L510 HydrophobicContact CB-CB 4.29Å; L507-L510 HydrophobicContact CB-CD1 4.5Å; L507-L510 HydrophobicContact CD1-CD1 3.86Å; L507-L510 PolarHBondContact O-N 3.4Å; T508-L510 PolarHBondContact O-N 2.78Å; L510-R512 VanDerWaalsContact C-N 3.32Å; L510-R512 HydrophobicContact CB-CB 4.2Å; L510-R512 HydrophobicContact CB-CG 4.19Å; L510-R512 WeakPolarHBondContact O-CG 3.49Å; L510-R512 PolarHBondContact O-N 3.27Å; L510-R512 PolarHBondContact O-NE 3.45Å
511N94Very high94.7Very high2 Ų220.7 Ų20.71%0.01110%0.104CC..THydrogen-bonded Turntrans45.452.1-169-166.728.8000112.9K431 T435 K436 Y506 L507 T508 F559K431-N511 PolarHBondContact O-ND2 3.49Å; T435-N511 PolarHBondContact N-ND2 3.39Å; T435-N511 PolarHBondContact OG1-OD1 3.14Å; K436-N511 PolarHBondContact N-O 2.83Å; Y506-N511 PolarHBondContact OH-OD1 2.91Å; L507-N511 PolarHBondContact O-N 3.38Å; L507-N511 VanDerWaalsContact O-N 3.09Å; T508-N511 PolarHBondContact O-N 3.42Å; N511-F559 VanDerWaalsContact CB-O 3.27Å; N511-F559 WeakPolarHBondContact CB-O 3.33Å; N511-F559 WeakPolarHBondContact ND2-CA 3.45Å; N511-F559 PolarHBondContact ND2-O 3.43Å
512R93.7Very high94.7Very high56 Ų5622.5 Ų22.521%0.21112%0.118CC..EExtended strand (participates in β ladder)trans-133.6137.4-172.1-79.7170.1-148.4-141.314.6112.3K436 F438 S493 Y506 L507 L510K436-R512 HydrophobicContact CB-CG 4Å; K436-R512 VanDerWaalsContact O-CA 3.29Å; K436-R512 WeakPolarHBondContact O-CA 3.35Å; F438-R512 HydrophobicContact CD2-CG 4.36Å; F438-R512 HydrophobicContact CE2-CG 3.9Å; S493-R512 VanDerWaalsContact CB-CZ 3.47Å; S493-R512 PolarHBondContact OG-NH1 3.24Å; S493-R512 VanDerWaalsContact OG-NH1 3.15Å; Y506-R512 CarbonylContact C-O 3.48Å; Y506-R512 WeakPolarHBondContact CA-O 3.11Å; Y506-R512 WeakPolarHBondContact CD2-O 3.49Å; L507-R512 PolarHBondContact N-O 3.12Å; L507-R512 PolarHBondContact O-N 2.94Å; L510-R512 VanDerWaalsContact C-N 3.32Å; L510-R512 HydrophobicContact CB-CB 4.2Å; L510-R512 HydrophobicContact CB-CG 4.19Å; L510-R512 WeakPolarHBondContact O-CG 3.49Å; L510-R512 PolarHBondContact O-N 3.27Å; L510-R512 PolarHBondContact O-NE 3.45Å
513M95.1Very high94.7Very high0 Ų022.9 Ų22.90%012%0.12CC..EExtended strand (participates in β ladder)trans-108.8141.6170.5-176.1-172.6-60.400109.9K436 V437 F438 Y505 Y506 I515 I542 E545 F546K436-M513 PolarHBondContact O-N 3.48Å; V437-M513 WeakPolarHBondContact CA-O 3.2Å; V437-M513 HydrophobicContact CG1-CB 4.27Å; V437-M513 HydrophobicContact CG1-CG 4.39Å; V437-M513 HydrophobicContact CG1-SD 4.09Å; V437-M513 HydrophobicContact CG2-CB 4.22Å; V437-M513 HydrophobicContact CG2-SD 4.48Å; F438-M513 PolarHBondContact N-O 3.36Å; Y505-M513 WeakPolarHBondContact O-CA 3.39Å; Y506-M513 HydrophobicContact CD2-CB 4.32Å; M513-I515 HydrophobicContact CG-CG1 4.29Å; M513-I515 HydrophobicContact SD-CD1 4.04Å; M513-I515 HydrophobicContact SD-CG1 4.13Å; M513-I542 HydrophobicContact SD-CG2 4.3Å; M513-E545 HydrophobicContact CE-CB 3.48Å; M513-E545 VanDerWaalsContact CE-CB 3.48Å; M513-E545 HydrophobicContact CG-CB 3.95Å; M513-E545 HydrophobicContact SD-CB 3.8Å; M513-F546 HydrophobicContact CE-CB 3.99Å; M513-F546 HydrophobicContact CE-CD1 3.89Å; M513-F546 HydrophobicContact CE-CD2 3.43Å; M513-F546 VanDerWaalsContact CE-CD2 3.43Å; M513-F546 HydrophobicContact CE-CE1 4.24Å; M513-F546 HydrophobicContact CE-CE2 3.8Å; M513-F546 HydrophobicContact CE-CG 3.46Å; M513-F546 VanDerWaalsContact CE-CG 3.46Å; M513-F546 HydrophobicContact CE-CZ 4.19Å; M513-F546 VanDerWaalsContact CE-N 3.27Å; M513-F546 HydrophobicContact SD-CD2 4.5Å
514H94.6Very high94.8Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-120131.3174.2-63.5-98.5000109.4S493 L494 A504 Y505 F516S493-H514 PolarHBondContact O-CE1 3.49Å; S493-H514 PolarHBondContact O-NE2 3.15Å; S493-H514 VanDerWaalsContact O-NE2 3.13Å; L494-H514 VanDerWaalsContact CD2-CE1 3.41Å; L494-H514 WeakPolarHBondContact CD2-CE1 3.25Å; A504-H514 WeakPolarHBondContact CA-O 3.38Å; Y505-H514 HydrophobicContact CD1-CB 4.31Å; Y505-H514 HydrophobicContact CD2-CB 4.27Å; Y505-H514 AromaticContact CD2-CD2 3.97Å; Y505-H514 HydrophobicContact CE1-CB 3.87Å; Y505-H514 HydrophobicContact CE2-CB 3.82Å; Y505-H514 AromaticContact CE2-CD2 3.3Å; Y505-H514 WeakPolarHBondContact CE2-CD2 3.42Å; Y505-H514 AromaticContact CE2-CG 3.6Å; Y505-H514 HydrophobicContact CG-CB 4.49Å; Y505-H514 AromaticContact CZ-CD2 3.82Å; Y505-H514 AromaticContact CZ-CG 3.61Å; Y505-H514 PolarHBondContact N-O 3.08Å; Y505-H514 VanDerWaalsContact N-O 3.09Å; Y505-H514 PolarHBondContact O-N 3.39Å; H514-F516 HydrophobicContact CB-CD1 4.41Å; H514-F516 HydrophobicContact CB-CE1 4.02Å
515I96.8Very high94.9Very high0 Ų019.4 Ų19.40%010%0.101CC..EExtended strand (participates in β ladder)trans-123.3119.2177.7-57.8164.5000107V403 V437 F438 I439 F440 M513 L519 L538 I542V403-I515 HydrophobicContact CG2-CD1 3.97Å; V437-I515 HydrophobicContact CG1-CD1 3.59Å; V437-I515 HydrophobicContact CG1-CG1 4.31Å; F438-I515 PolarHBondContact O-N 3.1Å; I439-I515 HydrophobicContact CG1-CD1 4.19Å; F440-I515 HydrophobicContact CE1-CG2 4.01Å; F440-I515 PolarHBondContact N-O 2.91Å; M513-I515 HydrophobicContact CG-CG1 4.29Å; M513-I515 HydrophobicContact SD-CD1 4.04Å; M513-I515 HydrophobicContact SD-CG1 4.13Å; I515-L519 HydrophobicContact CG2-CD1 4.19Å; I515-L538 HydrophobicContact CG2-CD1 4.07Å; I515-I542 HydrophobicContact CD1-CD1 3.94Å; I515-I542 HydrophobicContact CD1-CG1 3.65Å; I515-I542 HydrophobicContact CG1-CG1 4.4Å
516F96.9Very high94.9Very high0 Ų020.1 Ų20.10%011%0.105CC..  trans-90.5148.8-175.1-75.938.1000111.1F440 Y441 P498 T499 L501 E503 Y505 H514 G518 L519F440-F516 VanDerWaalsContact CD1-C 3.46Å; F440-F516 WeakPolarHBondContact CE1-O 3.39Å; Y441-F516 HydrophobicContact CE1-CD1 4.09Å; Y441-F516 AromaticContact CE1-CE1 3.65Å; Y441-F516 HydrophobicContact CE1-CE1 3.65Å; Y441-F516 HydrophobicContact CE1-CZ 4.04Å; Y441-F516 WeakPolarHBondContact OH-CZ 3.31Å; P498-F516 WeakPolarHBondContact O-CD2 3.46Å; P498-F516 VanDerWaalsContact O-CE2 3.29Å; P498-F516 WeakPolarHBondContact O-CE2 3.37Å; T499-F516 CarbonylContact O-C 3.42Å; T499-F516 WeakPolarHBondContact O-CB 3.26Å; L501-F516 HydrophobicContact CB-CD2 3.98Å; L501-F516 HydrophobicContact CB-CE2 4.41Å; L501-F516 HydrophobicContact CD1-CE2 4.48Å; L501-F516 WeakPolarHBondContact O-CB 3.28Å; E503-F516 HydrophobicContact CB-CD1 4.42Å; E503-F516 HydrophobicContact CB-CD2 4.14Å; E503-F516 HydrophobicContact CB-CE2 4.48Å; E503-F516 HydrophobicContact CB-CG 4.12Å; E503-F516 WeakPolarHBondContact O-CB 3.42Å; E503-F516 PolarHBondContact O-N 2.77Å; Y505-F516 HydrophobicContact CD1-CE1 4.35Å; Y505-F516 HydrophobicContact CE1-CD1 4.39Å; Y505-F516 AromaticContact CE1-CE1 3.44Å; Y505-F516 HydrophobicContact CE1-CE1 3.44Å; Y505-F516 VanDerWaalsContact CE1-CE1 3.44Å; Y505-F516 AromaticContact CE1-CZ 3.77Å; Y505-F516 HydrophobicContact CE1-CZ 3.77Å; H514-F516 HydrophobicContact CB-CD1 4.41Å; H514-F516 HydrophobicContact CB-CE1 4.02Å; F516-G518 PolarHBondContact O-N 2.93Å; F516-L519 WeakPolarHBondContact O-CB 3.35Å; F516-L519 PolarHBondContact O-N 3.43Å; F516-L519 VanDerWaalsContact O-N 3.14Å
517A96.9Very high94.6Very high0 Ų025.8 Ų25.80%013%0.13CC..G310 helixtrans-62.8-23.1-179.900000112.8F386 L387 I391 F440 T499 L519 M520F386-A517 HydrophobicContact CD1-CB 4.43Å; F386-A517 HydrophobicContact CE1-CB 3.92Å; L387-A517 HydrophobicContact CD2-CB 3.65Å; I391-A517 HydrophobicContact CD1-CB 3.79Å; I391-A517 HydrophobicContact CG1-CB 3.87Å; F440-A517 HydrophobicContact CB-CB 4.25Å; F440-A517 HydrophobicContact CD1-CB 3.85Å; F440-A517 VanDerWaalsContact CD1-N 3.25Å; F440-A517 HydrophobicContact CG-CB 4.08Å; T499-A517 CarbonylContact O-C 3.54Å; T499-A517 VanDerWaalsContact O-CA 3.29Å; T499-A517 WeakPolarHBondContact O-CA 3.36Å; T499-A517 WeakPolarHBondContact O-CB 3.38Å; T499-A517 PolarHBondContact O-N 3.35Å; A517-L519 PolarHBondContact O-N 3.08Å; A517-L519 VanDerWaalsContact O-N 3.16Å; A517-M520 WeakPolarHBondContact O-CB 3.44Å; A517-M520 PolarHBondContact O-N 2.79Å
518G97.4Very high94.5Very high0 Ų030.8 Ų30.80%016%0.157CC..G310 helixtrans-55.2-28.7172.400000113.5V81 T499 Y500 F516 M520 Q521V81-G518 VanDerWaalsContact CG1-O 3.3Å; V81-G518 WeakPolarHBondContact CG1-O 3.47Å; T499-G518 PolarHBondContact O-N 3.41Å; Y500-G518 WeakPolarHBondContact O-CA 3.32Å; F516-G518 PolarHBondContact O-N 2.93Å; G518-M520 PolarHBondContact O-N 3.32Å; G518-Q521 PolarHBondContact O-NE2 2.99Å
519L97.9Very high94.4Very high0 Ų032.1 Ų32.10%016%0.161CC..G310 helixtrans-75.2-3.2176.7-61.3176.8000114F78 P502 E503 A504 I515 F516 A517 Q521 F524 L538 I541F78-L519 HydrophobicContact CD1-CD2 4.31Å; F78-L519 HydrophobicContact CE1-CD2 3.98Å; P502-L519 HydrophobicContact CB-CD2 4.14Å; E503-L519 WeakPolarHBondContact O-CD1 3.45Å; A504-L519 HydrophobicContact CB-CD1 3.82Å; I515-L519 HydrophobicContact CG2-CD1 4.19Å; F516-L519 WeakPolarHBondContact O-CB 3.35Å; F516-L519 PolarHBondContact O-N 3.43Å; F516-L519 VanDerWaalsContact O-N 3.14Å; A517-L519 PolarHBondContact O-N 3.08Å; A517-L519 VanDerWaalsContact O-N 3.16Å; L519-Q521 PolarHBondContact O-N 3.24Å; L519-Q521 VanDerWaalsContact O-N 3.08Å; L519-F524 HydrophobicContact CD2-CD1 4.45Å; L519-F524 HydrophobicContact CD2-CD2 3.64Å; L519-F524 HydrophobicContact CD2-CE2 3.79Å; L519-F524 HydrophobicContact CD2-CG 4Å; L519-F524 HydrophobicContact CD2-CZ 4.29Å; L519-F524 VanDerWaalsContact O-CB 3.3Å; L519-F524 WeakPolarHBondContact O-CB 3.25Å; L519-L538 HydrophobicContact CB-CD1 4.03Å; L519-L538 HydrophobicContact CD1-CD1 4.15Å; L519-I541 HydrophobicContact CD1-CD1 4.45Å; L519-I541 HydrophobicContact CD1-CG2 4.27Å; L519-I541 HydrophobicContact CD2-CD1 4.14Å
520M96.9Very high94.5Very high9 Ų935.9 Ų35.94%0.04418%0.182CC..SBendtrans-83.537.3173.4-66.4-62.8-64.400112.5I391 Q395 V399 F440 A517 G518 Y525 L538I391-M520 HydrophobicContact CD1-CB 3.56Å; I391-M520 HydrophobicContact CD1-CG 3.41Å; I391-M520 VanDerWaalsContact CD1-CG 3.41Å; Q395-M520 HydrophobicContact CB-CE 3.7Å; Q395-M520 HydrophobicContact CG-CE 3.88Å; V399-M520 HydrophobicContact CG2-CE 4.31Å; V399-M520 HydrophobicContact CG2-SD 3.75Å; F440-M520 HydrophobicContact CE1-CG 3.71Å; F440-M520 HydrophobicContact CE1-SD 4.31Å; F440-M520 HydrophobicContact CE2-CG 3.69Å; F440-M520 HydrophobicContact CE2-SD 3.94Å; F440-M520 HydrophobicContact CZ-CG 3.16Å; F440-M520 HydrophobicContact CZ-SD 3.37Å; F440-M520 WeakPolarHBondContact CZ-SD 3.32Å; A517-M520 WeakPolarHBondContact O-CB 3.44Å; A517-M520 PolarHBondContact O-N 2.79Å; G518-M520 PolarHBondContact O-N 3.32Å; M520-Y525 HydrophobicContact CE-CD1 3.75Å; M520-Y525 HydrophobicContact CE-CD2 3.49Å; M520-Y525 VanDerWaalsContact CE-CD2 3.49Å; M520-Y525 HydrophobicContact CE-CE1 3.72Å; M520-Y525 HydrophobicContact CE-CE2 3.44Å; M520-Y525 VanDerWaalsContact CE-CE2 3.44Å; M520-Y525 HydrophobicContact CE-CG 3.65Å; M520-Y525 HydrophobicContact SD-CD2 3.86Å; M520-Y525 HydrophobicContact SD-CE2 4.35Å; M520-Y525 HydrophobicContact SD-CG 3.94Å; M520-L538 HydrophobicContact SD-CD2 3.97Å
521Q96.9Very high94.2Very high17 Ų1736.6 Ų36.68%0.07919%0.189CC..SBendtrans-135.6152.9-178-64.517990.600109.1V81 T85 G518 L519 F524 Y525V81-Q521 HydrophobicContact CG1-CB 4.01Å; V81-Q521 HydrophobicContact CG1-CG 4.46Å; V81-Q521 VanDerWaalsContact CG1-NE2 3.28Å; V81-Q521 HydrophobicContact CG2-CB 4.39Å; T85-Q521 PolarHBondContact OG1-NE2 3.29Å; G518-Q521 PolarHBondContact O-NE2 2.99Å; L519-Q521 PolarHBondContact O-N 3.24Å; L519-Q521 VanDerWaalsContact O-N 3.08Å; Q521-F524 WeakPolarHBondContact O-CB 3.41Å; Q521-F524 PolarHBondContact O-N 3.07Å; Q521-Y525 CarbonylContact C-O 3.6Å; Q521-Y525 PolarHBondContact O-N 2.05Å
522P96.3Very high93.8Very high74 Ų7436.5 Ų36.548%0.48119%0.189SC..THydrogen-bonded Turntrans-57.5144.8172.8-27.736.9000112.3V81 E526V81-P522 WeakPolarHBondContact CG2-O 3.44Å; P522-E526 WeakPolarHBondContact CG-OE2 3.47Å
523P95.5Very high93.6Very high23 Ų2334.7 Ų34.715%0.14918%0.184CC..THydrogen-bonded Turncis-90.17.32.636.4-35.1000113.8T77T77-P523 HydrophobicContact CG2-CG 3.65Å
524F97.6Very high93.5Very high0 Ų036.9 Ų36.90%019%0.192CC..THydrogen-bonded Turntrans-75.9-40.5-176.1-52.1-60000111.7F78 V81 L519 Q521 L538 I541 T649F78-F524 HydrophobicContact CB-CZ 4.38Å; F78-F524 HydrophobicContact CD1-CE1 4.39Å; F78-F524 HydrophobicContact CD1-CE2 4.29Å; F78-F524 AromaticContact CD1-CZ 3.71Å; F78-F524 HydrophobicContact CD1-CZ 3.71Å; F78-F524 HydrophobicContact CD2-CE1 4.2Å; F78-F524 AromaticContact CD2-CZ 3.8Å; F78-F524 HydrophobicContact CD2-CZ 3.8Å; F78-F524 HydrophobicContact CE1-CE1 4.11Å; F78-F524 AromaticContact CE1-CZ 3.87Å; F78-F524 HydrophobicContact CE1-CZ 3.87Å; F78-F524 AromaticContact CE2-CE1 3.87Å; F78-F524 HydrophobicContact CE2-CE1 3.87Å; F78-F524 AromaticContact CE2-CZ 3.93Å; F78-F524 HydrophobicContact CE2-CZ 3.93Å; F78-F524 HydrophobicContact CG-CE1 4.45Å; F78-F524 HydrophobicContact CG-CE2 4.5Å; F78-F524 AromaticContact CG-CZ 3.7Å; F78-F524 HydrophobicContact CG-CZ 3.7Å; F78-F524 AromaticContact CZ-CE1 3.83Å; F78-F524 HydrophobicContact CZ-CE1 3.83Å; F78-F524 AromaticContact CZ-CZ 3.97Å; F78-F524 HydrophobicContact CZ-CZ 3.97Å; V81-F524 HydrophobicContact CB-CE2 4.08Å; V81-F524 HydrophobicContact CG2-CD2 3.9Å; V81-F524 HydrophobicContact CG2-CE2 3.52Å; L519-F524 HydrophobicContact CD2-CD1 4.45Å; L519-F524 HydrophobicContact CD2-CD2 3.64Å; L519-F524 HydrophobicContact CD2-CE2 3.79Å; L519-F524 HydrophobicContact CD2-CG 4Å; L519-F524 HydrophobicContact CD2-CZ 4.29Å; L519-F524 VanDerWaalsContact O-CB 3.3Å; L519-F524 WeakPolarHBondContact O-CB 3.25Å; Q521-F524 WeakPolarHBondContact O-CB 3.41Å; Q521-F524 PolarHBondContact O-N 3.07Å; F524-L538 VanDerWaalsContact O-CB 3.26Å; F524-L538 WeakPolarHBondContact O-CB 3.27Å; F524-L538 PolarHBondContact O-N 3.25Å; F524-I541 HydrophobicContact CD1-CD1 3.39Å; F524-I541 HydrophobicContact CE1-CD1 3.66Å; F524-I541 HydrophobicContact CG-CD1 4.15Å; F524-T649 HydrophobicContact CD1-CG2 3.66Å; F524-T649 HydrophobicContact CE1-CG2 3.72Å
525Y96.4Very high93.5Very high7 Ų737.5 Ų37.53%0.02720%0.195CC..  trans-133.5114.8177.5179-89.6000110.4E398 M520 Q521 K527 R534E398-Y525 PolarHBondContact OE2-OH 3.33Å; M520-Y525 HydrophobicContact CE-CD1 3.75Å; M520-Y525 HydrophobicContact CE-CD2 3.49Å; M520-Y525 VanDerWaalsContact CE-CD2 3.49Å; M520-Y525 HydrophobicContact CE-CE1 3.72Å; M520-Y525 HydrophobicContact CE-CE2 3.44Å; M520-Y525 VanDerWaalsContact CE-CE2 3.44Å; M520-Y525 HydrophobicContact CE-CG 3.65Å; M520-Y525 HydrophobicContact SD-CD2 3.86Å; M520-Y525 HydrophobicContact SD-CE2 4.35Å; M520-Y525 HydrophobicContact SD-CG 3.94Å; Q521-Y525 CarbonylContact C-O 3.6Å; Q521-Y525 PolarHBondContact O-N 2.05Å; Y525-K527 HydrophobicContact CD1-CB 4.35Å; Y525-K527 HydrophobicContact CE1-CB 3.76Å; Y525-K527 HydrophobicContact CE1-CG 4.22Å; Y525-R534 WeakPolarHBondContact CA-O 3.47Å; Y525-R534 HydrophobicContact CD2-CG 3.94Å; Y525-R534 HydrophobicContact CE2-CG 3.62Å; Y525-R534 VanDerWaalsContact OH-CD 3.28Å; Y525-R534 WeakPolarHBondContact OH-CD 3.24Å
526E94.5Very high93.5Very high51 Ų5137.6 Ų37.624%0.23820%0.195CC..  trans-102.286.4-177.5-63.9-70.5-177.100110.3P522 D528 E529 R534P522-E526 WeakPolarHBondContact CG-OE2 3.47Å; E526-D528 PolarHBondContact O-N 2.79Å; E526-E529 HydrophobicContact CB-CB 4.12Å; E526-E529 HydrophobicContact CB-CG 3.73Å; E526-E529 PolarHBondContact O-N 3.05Å; E526-R534 PolarHBondContact N-O 3.38Å; E526-R534 VanDerWaalsContact O-CG 3.28Å; E526-R534 WeakPolarHBondContact O-CG 3.49Å
527K89.9Confident93.6Very high139 Ų13937.8 Ų37.860%0.60420%0.197SC*.THydrogen-bonded Turntrans-48.7-37.5-170.1-176-178.7173.6-176.40114.3Y525 E529Y525-K527 HydrophobicContact CD1-CB 4.35Å; Y525-K527 HydrophobicContact CE1-CB 3.76Å; Y525-K527 HydrophobicContact CE1-CG 4.22Å; K527-E529 VanDerWaalsContact C-N 3.32Å
528D89.7Confident93.6Very high155 Ų15537.8 Ų37.883%0.82920%0.197SC*.THydrogen-bonded Turntrans-893.2-172.5-57.1-39.9000113.4E526E526-D528 PolarHBondContact O-N 2.79Å
529E90.4Very high93.7Very high58 Ų5837.8 Ų37.827%0.27120%0.197SC..SBendtrans-96.8160177.7-65.9-171.4167.900113.5E526 K527 T533 R534 K645E526-E529 HydrophobicContact CB-CB 4.12Å; E526-E529 HydrophobicContact CB-CG 3.73Å; E526-E529 PolarHBondContact O-N 3.05Å; K527-E529 VanDerWaalsContact C-N 3.32Å; E529-T533 VanDerWaalsContact OE2-CG2 3.28Å; E529-T533 WeakPolarHBondContact OE2-CG2 3.47Å; E529-R534 HydrophobicContact CB-CB 4.25Å; E529-R534 VanDerWaalsContact O-CZ 3.29Å; E529-R534 PolarHBondContact O-NE 3.25Å; E529-R534 PolarHBondContact O-NH2 3.19Å; E529-K645 VanDerWaalsContact OE1-CE 3.26Å; E529-K645 WeakPolarHBondContact OE1-CE 3.46Å; E529-K645 IonicContact OE1-NZ 3.11Å; E529-K645 PolarHBondContact OE1-NZ 3.45Å; E529-K645 WeakPolarHBondContact OE2-CE 3.42Å; E529-K645 IonicContact OE2-NZ 3.53Å; E529-K645 PolarHBondContact OE2-NZ 2.8Å
530D88.4Confident93.6Very high132 Ų13238 Ų3871%0.70620%0.197SC*.PPolyproline II helixtrans-70.9144.8174.8-66.1-38.3000112T533 R534D530-T533 WeakPolarHBondContact O-CA 3.45Å; D530-T533 WeakPolarHBondContact O-CB 3.15Å; D530-T533 PolarHBondContact O-N 3.38Å; D530-R534 PolarHBondContact O-N 2.97Å
531S82.3Confident93.7Very high46 Ų4637.8 Ų37.832%0.32220%0.196SC..THydrogen-bonded Turntrans-70.4135.5165.6177.30000109.4Y535 Q627S531-Y535 VanDerWaalsContact OG-CE1 3.31Å; S531-Y535 WeakPolarHBondContact OG-CE1 3.2Å; S531-Y535 PolarHBondContact OG-OH 3.27Å; S531-Q627 PolarHBondContact O-NE2 3.45Å
532P85.1Confident93.8Very high0 Ų037 Ų370%019%0.193CC..THydrogen-bonded Turncis-90.2-0.56.434.3-38.6000116.5R534 Y535 Y620 Q624P532-R534 VanDerWaalsContact C-N 3.29Å; P532-R534 PolarHBondContact O-N 3.32Å; P532-Y535 WeakPolarHBondContact CA-OH 3Å; P532-Y535 HydrophobicContact CB-CE1 4.38Å; P532-Y535 HydrophobicContact CB-CE2 3.56Å; P532-Y535 VanDerWaalsContact CB-CZ 3.46Å; P532-Y535 WeakPolarHBondContact CB-OH 3.34Å; P532-Y535 WeakPolarHBondContact O-CD2 3.36Å; P532-Y535 WeakPolarHBondContact O-CE2 3.38Å; P532-Y535 PolarHBondContact O-N 3.22Å; P532-Y620 HydrophobicContact CB-CD2 3.9Å; P532-Y620 HydrophobicContact CB-CE2 4.18Å; P532-Y620 HydrophobicContact CG-CD2 3.57Å; P532-Y620 HydrophobicContact CG-CE2 3.54Å; P532-Y620 HydrophobicContact CG-CG 4.42Å; P532-Q624 VanDerWaalsContact CD-NE2 3.26Å; P532-Q624 HydrophobicContact CG-CG 4.13Å
533T90.6Very high93.9Very high18 Ų1833.4 Ų33.411%0.1117%0.17CC..G310 helixtrans-60.2-38.9-175.3-54.80000112.4E529 D530 Y535 I536 L641 K645E529-T533 VanDerWaalsContact OE2-CG2 3.28Å; E529-T533 WeakPolarHBondContact OE2-CG2 3.47Å; D530-T533 WeakPolarHBondContact O-CA 3.45Å; D530-T533 WeakPolarHBondContact O-CB 3.15Å; D530-T533 PolarHBondContact O-N 3.38Å; T533-Y535 PolarHBondContact O-N 2.64Å; T533-I536 HydrophobicContact CG2-CD1 3.89Å; T533-I536 WeakPolarHBondContact O-CG1 3.3Å; T533-I536 PolarHBondContact O-N 2.96Å; T533-L641 HydrophobicContact CG2-CD2 3.73Å; T533-L641 HydrophobicContact CG2-CG 4.15Å; T533-K645 HydrophobicContact CG2-CD 3.42Å; T533-K645 VanDerWaalsContact CG2-CD 3.42Å
534R93.2Very high94Very high45 Ų4532.6 Ų32.617%0.1716%0.164CC..G310 helixtrans-45.5-34.3177.6171.3174.3-35164.7-1.7115.7E398 Y525 E526 E529 D530 P532E398-R534 IonicContact OE1-NH1 3.59Å; E398-R534 PolarHBondContact OE1-NH1 3.33Å; E398-R534 VanDerWaalsContact OE1-NH1 3.1Å; E398-R534 IonicContact OE2-NH1 3.15Å; E398-R534 PolarHBondContact OE2-NH1 3.38Å; Y525-R534 WeakPolarHBondContact CA-O 3.47Å; Y525-R534 HydrophobicContact CD2-CG 3.94Å; Y525-R534 HydrophobicContact CE2-CG 3.62Å; Y525-R534 VanDerWaalsContact OH-CD 3.28Å; Y525-R534 WeakPolarHBondContact OH-CD 3.24Å; E526-R534 PolarHBondContact N-O 3.38Å; E526-R534 VanDerWaalsContact O-CG 3.28Å; E526-R534 WeakPolarHBondContact O-CG 3.49Å; E529-R534 HydrophobicContact CB-CB 4.25Å; E529-R534 VanDerWaalsContact O-CZ 3.29Å; E529-R534 PolarHBondContact O-NE 3.25Å; E529-R534 PolarHBondContact O-NH2 3.19Å; D530-R534 PolarHBondContact O-N 2.97Å; P532-R534 VanDerWaalsContact C-N 3.29Å; P532-R534 PolarHBondContact O-N 3.32Å
535Y94.5Very high94Very high14 Ų1433.6 Ų33.66%0.05517%0.168CC..G310 helixtrans-121.222.1-171.253-114000113.4L402 S531 P532 T533 G537 G539 M616L402-Y535 HydrophobicContact CD1-CD2 3.53Å; L402-Y535 HydrophobicContact CD1-CE2 3.57Å; L402-Y535 HydrophobicContact CD1-CG 4.33Å; L402-Y535 HydrophobicContact CD2-CD2 3.72Å; L402-Y535 HydrophobicContact CD2-CE2 4.49Å; L402-Y535 HydrophobicContact CD2-CG 3.74Å; L402-Y535 HydrophobicContact CG-CD2 4.2Å; S531-Y535 VanDerWaalsContact OG-CE1 3.31Å; S531-Y535 WeakPolarHBondContact OG-CE1 3.2Å; S531-Y535 PolarHBondContact OG-OH 3.27Å; P532-Y535 WeakPolarHBondContact CA-OH 3Å; P532-Y535 HydrophobicContact CB-CE1 4.38Å; P532-Y535 HydrophobicContact CB-CE2 3.56Å; P532-Y535 VanDerWaalsContact CB-CZ 3.46Å; P532-Y535 WeakPolarHBondContact CB-OH 3.34Å; P532-Y535 WeakPolarHBondContact O-CD2 3.36Å; P532-Y535 WeakPolarHBondContact O-CE2 3.38Å; P532-Y535 PolarHBondContact O-N 3.22Å; T533-Y535 PolarHBondContact O-N 2.64Å; Y535-G537 VanDerWaalsContact C-N 3.31Å; Y535-G537 PolarHBondContact O-N 3.18Å; Y535-G539 WeakPolarHBondContact O-CA 3.45Å; Y535-G539 PolarHBondContact O-N 2.91Å; Y535-M616 HydrophobicContact CD2-CE 4.01Å; Y535-M616 HydrophobicContact CE2-CE 4.1Å
536I96.9Very high94.1Very high2 Ų233.2 Ų33.21%0.0117%0.167CC..Hα-helixtrans-55.8-47.1177-71.9161.5000111.2T533 W540 Y620 F642 K645 L646T533-I536 HydrophobicContact CG2-CD1 3.89Å; T533-I536 WeakPolarHBondContact O-CG1 3.3Å; T533-I536 PolarHBondContact O-N 2.96Å; I536-W540 WeakPolarHBondContact O-CB 3.47Å; I536-W540 PolarHBondContact O-N 3.15Å; I536-Y620 HydrophobicContact CD1-CD2 4.25Å; I536-Y620 HydrophobicContact CD1-CE2 3.83Å; I536-Y620 HydrophobicContact CG1-CD2 4Å; I536-Y620 HydrophobicContact CG1-CE2 4.05Å; I536-F642 HydrophobicContact CD1-CB 4.5Å; I536-F642 HydrophobicContact CD1-CD2 4.25Å; I536-F642 HydrophobicContact CG1-CD2 4.01Å; I536-F642 HydrophobicContact CG1-CE2 4.5Å; I536-F642 HydrophobicContact CG2-CD2 3.99Å; I536-F642 HydrophobicContact CG2-CE2 4.03Å; I536-K645 HydrophobicContact CB-CB 4.19Å; I536-K645 HydrophobicContact CD1-CB 4Å; I536-K645 HydrophobicContact CD1-CD 3.63Å; I536-K645 HydrophobicContact CD1-CG 4.42Å; I536-K645 HydrophobicContact CG2-CB 3.92Å; I536-L646 HydrophobicContact CG2-CB 4.05Å
537G97.4Very high94.2Very high3 Ų330.9 Ų30.93%0.03116%0.156CC..Hα-helixtrans-65-52.8-179.700000112.6Y535 G539 W540 I541 T649Y535-G537 VanDerWaalsContact C-N 3.31Å; Y535-G537 PolarHBondContact O-N 3.18Å; G537-G539 VanDerWaalsContact C-N 3.35Å; G537-G539 PolarHBondContact O-N 3.05Å; G537-W540 PolarHBondContact O-N 3.49Å; G537-I541 WeakPolarHBondContact O-CG1 3.07Å; G537-I541 PolarHBondContact O-N 2.87Å; G537-I541 VanDerWaalsContact O-N 3.11Å; G537-T649 WeakPolarHBondContact CA-OG1 3.47Å
538L98.2Very high94.5Very high0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-60.4-42.6176.9177.460000112.2V399 L402 I515 L519 M520 F524 W540 I541 I542V399-L538 HydrophobicContact CG1-CD2 4.1Å; V399-L538 HydrophobicContact CG2-CD2 3.64Å; L402-L538 HydrophobicContact CD2-CD2 4.5Å; L402-L538 HydrophobicContact CD2-CG 4.36Å; I515-L538 HydrophobicContact CG2-CD1 4.07Å; L519-L538 HydrophobicContact CB-CD1 4.03Å; L519-L538 HydrophobicContact CD1-CD1 4.15Å; M520-L538 HydrophobicContact SD-CD2 3.97Å; F524-L538 VanDerWaalsContact O-CB 3.26Å; F524-L538 WeakPolarHBondContact O-CB 3.27Å; F524-L538 PolarHBondContact O-N 3.25Å; L538-W540 VanDerWaalsContact C-N 3.34Å; L538-W540 PolarHBondContact O-N 2.71Å; L538-I541 WeakPolarHBondContact O-CB 3.48Å; L538-I541 PolarHBondContact O-N 3.06Å; L538-I542 HydrophobicContact CD1-CD1 4.14Å; L538-I542 HydrophobicContact CD1-CG1 4.32Å; L538-I542 HydrophobicContact CG-CD1 3.89Å; L538-I542 HydrophobicContact CG-CG1 4.5Å; L538-I542 VanDerWaalsContact O-CG1 3.28Å; L538-I542 WeakPolarHBondContact O-CG1 3Å; L538-I542 PolarHBondContact O-N 3.05Å
539G98.1Very high94.7Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-64.5-37.7179.400000112.7Y535 G537 I542 A543 M616Y535-G539 WeakPolarHBondContact O-CA 3.45Å; Y535-G539 PolarHBondContact O-N 2.91Å; G537-G539 VanDerWaalsContact C-N 3.35Å; G537-G539 PolarHBondContact O-N 3.05Å; G539-I542 PolarHBondContact O-N 3.3Å; G539-A543 WeakPolarHBondContact O-CB 3.49Å; G539-A543 PolarHBondContact O-N 2.66Å; G539-M616 WeakPolarHBondContact CA-SD 3.48Å
540W97.7Very high94.9Very high5 Ų515.3 Ų15.32%0.0198%0.08CC..Hα-helixtrans-65.3-42.3172.6172.475.4000111.7I536 G537 L538 I542 A543 H544 D609 M616 L646 T649 L650I536-W540 WeakPolarHBondContact O-CB 3.47Å; I536-W540 PolarHBondContact O-N 3.15Å; G537-W540 PolarHBondContact O-N 3.49Å; L538-W540 VanDerWaalsContact C-N 3.34Å; L538-W540 PolarHBondContact O-N 2.71Å; W540-I542 PolarHBondContact O-N 3.42Å; W540-A543 PolarHBondContact O-N 2.99Å; W540-H544 HydrophobicContact CZ2-CB 4.42Å; W540-H544 AromaticContact CZ2-ND1 3.89Å; W540-H544 VanDerWaalsContact O-CB 3.31Å; W540-H544 WeakPolarHBondContact O-CB 3.44Å; W540-H544 PolarHBondContact O-N 2.96Å; W540-D609 HydrophobicContact CZ2-CB 4.46Å; W540-D609 WeakPolarHBondContact CZ2-OD1 3.42Å; W540-D609 PolarHBondContact NE1-O 2.9Å; W540-M616 HydrophobicContact CB-CB 4.36Å; W540-M616 HydrophobicContact CB-CG 4.29Å; W540-L646 HydrophobicContact CB-CD1 4.09Å; W540-L646 HydrophobicContact CB-CG 4.35Å; W540-L646 HydrophobicContact CG-CD1 3.88Å; W540-L646 HydrophobicContact CG-CG 4.06Å; W540-T649 HydrophobicContact CE3-CG2 4.15Å; W540-T649 HydrophobicContact CZ3-CG2 4.46Å; W540-L650 HydrophobicContact CH2-CD1 3.89Å; W540-L650 HydrophobicContact CH2-CD2 3.52Å; W540-L650 HydrophobicContact CH2-CG 3.99Å; W540-L650 HydrophobicContact CZ2-CD1 3.86Å; W540-L650 HydrophobicContact CZ2-CD2 4.33Å; W540-L650 HydrophobicContact CZ2-CG 4.45Å; W540-L650 HydrophobicContact CZ3-CD1 4.31Å; W540-L650 HydrophobicContact CZ3-CD2 3.71Å; W540-L650 HydrophobicContact CZ3-CG 4.04Å
541I98.4Very high95.1Very high4 Ų49.2 Ų9.22%0.0215%0.048CC..Hα-helixtrans-59.1-47.6174.2-68170.1000110.3F78 A504 L519 F524 G537 L538 A543 H544 E545F78-I541 HydrophobicContact CE1-CD1 4.01Å; F78-I541 HydrophobicContact CZ-CD1 3.67Å; F78-I541 HydrophobicContact CZ-CG1 4.25Å; A504-I541 HydrophobicContact CB-CG2 3.52Å; L519-I541 HydrophobicContact CD1-CD1 4.45Å; L519-I541 HydrophobicContact CD1-CG2 4.27Å; L519-I541 HydrophobicContact CD2-CD1 4.14Å; F524-I541 HydrophobicContact CD1-CD1 3.39Å; F524-I541 HydrophobicContact CE1-CD1 3.66Å; F524-I541 HydrophobicContact CG-CD1 4.15Å; G537-I541 WeakPolarHBondContact O-CG1 3.07Å; G537-I541 PolarHBondContact O-N 2.87Å; G537-I541 VanDerWaalsContact O-N 3.11Å; L538-I541 WeakPolarHBondContact O-CB 3.48Å; L538-I541 PolarHBondContact O-N 3.06Å; I541-A543 VanDerWaalsContact C-N 3.32Å; I541-A543 PolarHBondContact O-N 3.14Å; I541-H544 WeakPolarHBondContact O-CB 3.46Å; I541-H544 PolarHBondContact O-N 3.21Å; I541-E545 HydrophobicContact CG2-CG 4.42Å; I541-E545 WeakPolarHBondContact O-CG 3.22Å; I541-E545 PolarHBondContact O-N 2.99Å
542I98.6Very high95.5Very high0 Ų07 Ų70%03%0.033CC..Hα-helixtrans-58.7-45.5177.6-68.1166.8000110.8V399 L402 V403 V406 M513 I515 L538 G539 W540 E545 F546V399-I542 HydrophobicContact CG1-CD1 4.21Å; L402-I542 HydrophobicContact CD2-CD1 3.85Å; L402-I542 HydrophobicContact CG-CD1 4.11Å; V403-I542 HydrophobicContact CG2-CD1 3.99Å; V403-I542 HydrophobicContact CG2-CG2 4.03Å; V406-I542 HydrophobicContact CB-CG2 4.31Å; V406-I542 HydrophobicContact CG1-CG2 4.15Å; V406-I542 HydrophobicContact CG2-CG2 4.43Å; M513-I542 HydrophobicContact SD-CG2 4.3Å; I515-I542 HydrophobicContact CD1-CD1 3.94Å; I515-I542 HydrophobicContact CD1-CG1 3.65Å; I515-I542 HydrophobicContact CG1-CG1 4.4Å; L538-I542 HydrophobicContact CD1-CD1 4.14Å; L538-I542 HydrophobicContact CD1-CG1 4.32Å; L538-I542 HydrophobicContact CG-CD1 3.89Å; L538-I542 HydrophobicContact CG-CG1 4.5Å; L538-I542 VanDerWaalsContact O-CG1 3.28Å; L538-I542 WeakPolarHBondContact O-CG1 3Å; L538-I542 PolarHBondContact O-N 3.05Å; G539-I542 PolarHBondContact O-N 3.3Å; W540-I542 PolarHBondContact O-N 3.42Å; I542-E545 PolarHBondContact O-N 3.42Å; I542-F546 HydrophobicContact CG2-CD2 3.85Å; I542-F546 HydrophobicContact CG2-CE2 3.85Å; I542-F546 WeakPolarHBondContact O-CD2 3.29Å; I542-F546 PolarHBondContact O-N 2.95Å
543A98.4Very high95.8Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-64.2-41.6178.100000111.9V406 G539 W540 I541 F546 M547 G612 I615 M616V406-A543 HydrophobicContact CG1-CB 3.82Å; G539-A543 WeakPolarHBondContact O-CB 3.49Å; G539-A543 PolarHBondContact O-N 2.66Å; W540-A543 PolarHBondContact O-N 2.99Å; I541-A543 VanDerWaalsContact C-N 3.32Å; I541-A543 PolarHBondContact O-N 3.14Å; A543-F546 PolarHBondContact O-N 3.5Å; A543-M547 WeakPolarHBondContact O-CG 3.44Å; A543-M547 PolarHBondContact O-N 2.85Å; A543-M547 VanDerWaalsContact O-N 3.07Å; A543-G612 WeakPolarHBondContact CB-O 3.25Å; A543-I615 HydrophobicContact CB-CB 4.18Å; A543-I615 HydrophobicContact CB-CG2 3.9Å; A543-M616 HydrophobicContact CB-CB 4.23Å
544H97.9Very high95.8Very high5 Ų59.7 Ų9.72%0.0235%0.045CC..Hα-helixtrans-57.5-50.8173.8174.9108.5000110.9W540 I541 F546 M547 H548 E605 A608 D609W540-H544 HydrophobicContact CZ2-CB 4.42Å; W540-H544 AromaticContact CZ2-ND1 3.89Å; W540-H544 VanDerWaalsContact O-CB 3.31Å; W540-H544 WeakPolarHBondContact O-CB 3.44Å; W540-H544 PolarHBondContact O-N 2.96Å; I541-H544 WeakPolarHBondContact O-CB 3.46Å; I541-H544 PolarHBondContact O-N 3.21Å; H544-F546 VanDerWaalsContact C-N 3.29Å; H544-F546 PolarHBondContact O-N 3.31Å; H544-M547 WeakPolarHBondContact O-CB 3.3Å; H544-M547 PolarHBondContact O-N 3.38Å; H544-H548 AromaticContact CD2-NE2 3.83Å; H544-H548 AromaticContact NE2-NE2 3.34Å; H544-H548 PolarHBondContact NE2-NE2 3.19Å; H544-H548 PolarHBondContact O-N 3.01Å; H544-E605 IonicContact CE1-OE2 3.93Å; H544-E605 IonicContact NE2-OE2 2.85Å; H544-E605 PolarHBondContact NE2-OE2 3.36Å; H544-A608 VanDerWaalsContact CE1-CB 3.49Å; H544-A608 WeakPolarHBondContact CE1-CB 3.36Å; H544-D609 IonicContact CE1-OD1 3.1Å; H544-D609 PolarHBondContact CE1-OD1 3.06Å; H544-D609 PolarHBondContact ND1-N 2.84Å; H544-D609 IonicContact ND1-OD1 2.86Å; H544-D609 PolarHBondContact ND1-OD1 3.27Å
545E97.9Very high95.7Very high21 Ų217.7 Ų7.710%0.0984%0.038CC..Hα-helixtrans-64-32.8178.6-65.7-50.3142.600112.9A504 Y505 Y506 M513 I541 I542 M547 H548A504-E545 HydrophobicContact CB-CG 3.91Å; Y505-E545 VanDerWaalsContact C-OE2 3.25Å; Y505-E545 WeakPolarHBondContact CA-OE2 3.12Å; Y506-E545 WeakPolarHBondContact CB-O 3.38Å; Y506-E545 PolarHBondContact N-OE2 3.38Å; M513-E545 HydrophobicContact CE-CB 3.48Å; M513-E545 VanDerWaalsContact CE-CB 3.48Å; M513-E545 HydrophobicContact CG-CB 3.95Å; M513-E545 HydrophobicContact SD-CB 3.8Å; I541-E545 HydrophobicContact CG2-CG 4.42Å; I541-E545 WeakPolarHBondContact O-CG 3.22Å; I541-E545 PolarHBondContact O-N 2.99Å; I542-E545 PolarHBondContact O-N 3.42Å; E545-M547 VanDerWaalsContact C-N 3.3Å; E545-M547 PolarHBondContact O-N 3.49Å; E545-H548 PolarHBondContact O-N 3.4Å; E545-H548 IonicContact OE2-CD2 2.56Å
546F98Very high95.6Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-66.9-32.8172.5-94.5-65.4000112.2V403 V406 R407 I410 I432 T435 V437 M513 I542 A543 H544 H548 A549V403-F546 HydrophobicContact CG1-CE2 4.18Å; V403-F546 HydrophobicContact CG1-CZ 4.2Å; V406-F546 HydrophobicContact CG1-CD2 3.85Å; V406-F546 HydrophobicContact CG1-CE2 4.3Å; R407-F546 HydrophobicContact CB-CZ 4.24Å; I410-F546 HydrophobicContact CD1-CB 3.34Å; I410-F546 HydrophobicContact CD1-CD1 4.06Å; I410-F546 HydrophobicContact CD1-CD2 3.86Å; I410-F546 HydrophobicContact CD1-CG 3.51Å; I432-F546 HydrophobicContact CD1-CD1 3.88Å; I432-F546 HydrophobicContact CG2-CE1 4.48Å; T435-F546 HydrophobicContact CG2-CD1 4.26Å; T435-F546 HydrophobicContact CG2-CE1 3.76Å; V437-F546 HydrophobicContact CG2-CE2 4.5Å; V437-F546 HydrophobicContact CG2-CZ 3.87Å; M513-F546 HydrophobicContact CE-CB 3.99Å; M513-F546 HydrophobicContact CE-CD1 3.89Å; M513-F546 HydrophobicContact CE-CD2 3.43Å; M513-F546 VanDerWaalsContact CE-CD2 3.43Å; M513-F546 HydrophobicContact CE-CE1 4.24Å; M513-F546 HydrophobicContact CE-CE2 3.8Å; M513-F546 HydrophobicContact CE-CG 3.46Å; M513-F546 VanDerWaalsContact CE-CG 3.46Å; M513-F546 HydrophobicContact CE-CZ 4.19Å; M513-F546 VanDerWaalsContact CE-N 3.27Å; M513-F546 HydrophobicContact SD-CD2 4.5Å; I542-F546 HydrophobicContact CG2-CD2 3.85Å; I542-F546 HydrophobicContact CG2-CE2 3.85Å; I542-F546 WeakPolarHBondContact O-CD2 3.29Å; I542-F546 PolarHBondContact O-N 2.95Å; A543-F546 PolarHBondContact O-N 3.5Å; H544-F546 VanDerWaalsContact C-N 3.29Å; H544-F546 PolarHBondContact O-N 3.31Å; F546-H548 PolarHBondContact O-N 2.95Å; F546-A549 WeakPolarHBondContact O-CB 3.27Å; F546-A549 PolarHBondContact O-N 3.04Å
547M96.4Very high95.4Very high2 Ų210.6 Ų10.61%0.015%0.053CC..Hα-helixtrans-63.5-31.9176.6-66.1-57.192.400111.6I410 A543 H544 E545 A549 I550 D551 A608 I615 W706I410-M547 HydrophobicContact CD1-CE 3.85Å; I410-M547 HydrophobicContact CG1-CE 3.72Å; I410-M547 HydrophobicContact CG2-CE 4.05Å; A543-M547 WeakPolarHBondContact O-CG 3.44Å; A543-M547 PolarHBondContact O-N 2.85Å; A543-M547 VanDerWaalsContact O-N 3.07Å; H544-M547 WeakPolarHBondContact O-CB 3.3Å; H544-M547 PolarHBondContact O-N 3.38Å; E545-M547 VanDerWaalsContact C-N 3.3Å; E545-M547 PolarHBondContact O-N 3.49Å; M547-A549 PolarHBondContact O-N 3.2Å; M547-I550 HydrophobicContact CE-CD1 3.93Å; M547-I550 CarbonylContact O-C 3.44Å; M547-I550 WeakPolarHBondContact O-CG1 3.47Å; M547-I550 PolarHBondContact O-N 2.94Å; M547-I550 HydrophobicContact SD-CD1 4.21Å; M547-D551 WeakPolarHBondContact O-CB 3.15Å; M547-D551 PolarHBondContact O-N 3.35Å; M547-A608 HydrophobicContact CB-CB 3.94Å; M547-I615 HydrophobicContact CE-CG1 3.98Å; M547-I615 HydrophobicContact SD-CG1 4.35Å; M547-W706 HydrophobicContact SD-CZ2 4.3Å
548H95.9Very high95Very high22 Ų2212 Ų1210%0.1026%0.06CC..Hα-helixtrans-61.9-22.2173.1-73.6-52.4000113.9Y506 H544 E545 F546 I550 D551 G554 E605Y506-H548 HydrophobicContact CD1-CB 3.76Å; Y506-H548 HydrophobicContact CG-CB 4.11Å; H544-H548 AromaticContact CD2-NE2 3.83Å; H544-H548 AromaticContact NE2-NE2 3.34Å; H544-H548 PolarHBondContact NE2-NE2 3.19Å; H544-H548 PolarHBondContact O-N 3.01Å; E545-H548 PolarHBondContact O-N 3.4Å; E545-H548 IonicContact OE2-CD2 2.56Å; F546-H548 PolarHBondContact O-N 2.95Å; H548-I550 PolarHBondContact O-N 3.31Å; H548-D551 WeakPolarHBondContact CA-OD2 3.43Å; H548-D551 IonicContact CE1-OD2 2.97Å; H548-D551 IonicContact CG-OD2 3.54Å; H548-D551 IonicContact ND1-OD2 2.69Å; H548-D551 PolarHBondContact ND1-OD2 2.86Å; H548-G554 WeakPolarHBondContact O-CA 3.45Å; H548-E605 IonicContact CE1-OE1 2.76Å; H548-E605 PolarHBondContact CE1-OE1 3.41Å; H548-E605 IonicContact CE1-OE2 2.85Å; H548-E605 IonicContact NE2-OE1 3.98Å; H548-E605 IonicContact NE2-OE2 3.72Å
549A95.1Very high94.7Very high0 Ų015.5 Ų15.50%08%0.075CC..THydrogen-bonded Turntrans-64.1-26.6171.600000112.7K431 I432 Y506 F546 M547 G554K431-A549 WeakPolarHBondContact CD-O 3.39Å; K431-A549 VanDerWaalsContact CE-O 3.24Å; K431-A549 WeakPolarHBondContact CE-O 3.13Å; K431-A549 PolarHBondContact NZ-O 3.41Å; I432-A549 HydrophobicContact CD1-CB 3.96Å; Y506-A549 HydrophobicContact CD2-CB 4.45Å; Y506-A549 HydrophobicContact CE1-CB 3.95Å; Y506-A549 HydrophobicContact CE2-CB 3.71Å; Y506-A549 VanDerWaalsContact CZ-CA 3.42Å; Y506-A549 VanDerWaalsContact CZ-CB 3.41Å; Y506-A549 WeakPolarHBondContact OH-CA 3.37Å; Y506-A549 WeakPolarHBondContact OH-CB 3.38Å; F546-A549 WeakPolarHBondContact O-CB 3.27Å; F546-A549 PolarHBondContact O-N 3.04Å; M547-A549 PolarHBondContact O-N 3.2Å; A549-G554 CarbonylContact O-C 3.56Å
550I93Very high94.2Very high2 Ų220 Ų201%0.0110%0.1CC..SBendtrans-131.615.4-16864.1176.2000112.7I410 V428 I432 M547 H548 V555 N576 W706I410-I550 HydrophobicContact CG2-CD1 4.26Å; V428-I550 HydrophobicContact CB-CG2 4.37Å; V428-I550 HydrophobicContact CG1-CB 4.42Å; V428-I550 HydrophobicContact CG1-CD1 4.16Å; V428-I550 HydrophobicContact CG1-CG2 3.73Å; V428-I550 HydrophobicContact CG2-CB 4.42Å; V428-I550 HydrophobicContact CG2-CG2 4.08Å; I432-I550 HydrophobicContact CD1-CG2 3.92Å; I432-I550 HydrophobicContact CG1-CG2 4.05Å; M547-I550 HydrophobicContact CE-CD1 3.93Å; M547-I550 CarbonylContact O-C 3.44Å; M547-I550 WeakPolarHBondContact O-CG1 3.47Å; M547-I550 PolarHBondContact O-N 2.94Å; M547-I550 HydrophobicContact SD-CD1 4.21Å; H548-I550 PolarHBondContact O-N 3.31Å; I550-V555 WeakPolarHBondContact O-CG1 3.01Å; I550-N576 PolarHBondContact O-ND2 3.19Å; I550-W706 HydrophobicContact CD1-CH2 3.49Å; I550-W706 VanDerWaalsContact CD1-CH2 3.49Å; I550-W706 HydrophobicContact CD1-CZ2 3.48Å; I550-W706 VanDerWaalsContact CD1-CZ2 3.48Å; I550-W706 HydrophobicContact CD1-CZ3 4.42Å; I550-W706 HydrophobicContact CG1-CH2 4.38Å; I550-W706 HydrophobicContact CG1-CZ2 4.13Å
551D93.2Very high93.6Very high4 Ų420.3 Ų20.32%0.02110%0.104CC..SBendtrans-76.3-168.5176.775.922.5000112.6M547 H548 I553 G554 V555 N576 N604 L607M547-D551 WeakPolarHBondContact O-CB 3.15Å; M547-D551 PolarHBondContact O-N 3.35Å; H548-D551 WeakPolarHBondContact CA-OD2 3.43Å; H548-D551 IonicContact CE1-OD2 2.97Å; H548-D551 IonicContact CG-OD2 3.54Å; H548-D551 IonicContact ND1-OD2 2.69Å; H548-D551 PolarHBondContact ND1-OD2 2.86Å; D551-I553 PolarHBondContact O-N 3.37Å; D551-I553 WeakPolarHBondContact OD1-CA 3.27Å; D551-I553 PolarHBondContact OD1-N 2.03Å; D551-G554 PolarHBondContact O-N 3.3Å; D551-G554 PolarHBondContact OD1-N 3.13Å; D551-V555 WeakPolarHBondContact O-CG1 3.26Å; D551-V555 WeakPolarHBondContact O-CG2 3.39Å; D551-V555 PolarHBondContact O-N 3.3Å; D551-N576 VanDerWaalsContact C-ND2 3.32Å; D551-N576 PolarHBondContact O-ND2 3.15Å; D551-N604 VanDerWaalsContact CG-CG 3.41Å; D551-N604 PolarHBondContact OD1-ND2 3.02Å; D551-N604 VanDerWaalsContact OD2-CG 3.3Å; D551-N604 PolarHBondContact OD2-ND2 2.98Å; D551-L607 HydrophobicContact CB-CD2 3.69Å
552I91.2Very high93.2Very high1 Ų124.6 Ų24.61%0.00513%0.127CC..THydrogen-bonded Turntrans-58.3-37-177.7-55.3167.8000111.4M573 N576 M577 T580 R603 N604I552-M573 HydrophobicContact CG2-CE 4.16Å; I552-M573 HydrophobicContact CG2-CG 3.81Å; I552-N576 HydrophobicContact CG1-CB 3.96Å; I552-M577 HydrophobicContact CD1-CG 4.35Å; I552-M577 HydrophobicContact CG1-CG 4.42Å; I552-M577 HydrophobicContact CG2-CG 3.76Å; I552-M577 HydrophobicContact CG2-SD 4.44Å; I552-T580 HydrophobicContact CD1-CG2 4.32Å; I552-R603 HydrophobicContact CD1-CB 3.87Å; I552-N604 WeakPolarHBondContact CB-OD1 3.32Å; I552-N604 WeakPolarHBondContact CD1-OD1 3.3Å; I552-N604 WeakPolarHBondContact CG1-OD1 3.39Å; I552-N604 PolarHBondContact N-OD1 3.12Å; I552-N604 VanDerWaalsContact N-OD1 3.08Å
553I90.4Very high92.8Very high74 Ų7431.2 Ų31.238%0.37916%0.158SC..THydrogen-bonded Turntrans-92.3-39.6-179.7-62.1174.4000109.9D551 V555 L556 I600 N604D551-I553 PolarHBondContact O-N 3.37Å; D551-I553 WeakPolarHBondContact OD1-CA 3.27Å; D551-I553 PolarHBondContact OD1-N 2.03Å; I553-V555 VanDerWaalsContact C-N 3.29Å; I553-V555 PolarHBondContact O-N 3.35Å; I553-L556 VanDerWaalsContact O-CB 3.24Å; I553-L556 WeakPolarHBondContact O-CB 3.43Å; I553-L556 PolarHBondContact O-N 2.94Å; I553-I600 HydrophobicContact CD1-CG2 4.22Å; I553-I600 HydrophobicContact CG1-CG2 4.37Å; I553-N604 WeakPolarHBondContact CD1-ND2 3.31Å; I553-N604 WeakPolarHBondContact CG1-ND2 3.42Å
554G92.3Very high92.3Very high0 Ų033.2 Ų33.20%017%0.165CC..G310 helixtrans-53.3-43.4-179.500000112.9K431 H548 A549 D551 L556 E557K431-G554 PolarHBondContact NZ-O 3.03Å; H548-G554 WeakPolarHBondContact O-CA 3.45Å; A549-G554 CarbonylContact O-C 3.56Å; D551-G554 PolarHBondContact O-N 3.3Å; D551-G554 PolarHBondContact OD1-N 3.13Å; G554-L556 PolarHBondContact O-N 3.11Å; G554-L556 VanDerWaalsContact O-N 3.11Å; G554-E557 PolarHBondContact O-N 2.83Å; G554-E557 VanDerWaalsContact O-N 3.13Å
555V91.1Very high91.7Very high2 Ų239.6 Ų39.61%0.01220%0.199CC..G310 helixtrans-65.6-14.5178-63.70000114.3I550 D551 I553 E557 R564 M573 N576I550-V555 WeakPolarHBondContact O-CG1 3.01Å; D551-V555 WeakPolarHBondContact O-CG1 3.26Å; D551-V555 WeakPolarHBondContact O-CG2 3.39Å; D551-V555 PolarHBondContact O-N 3.3Å; I553-V555 VanDerWaalsContact C-N 3.29Å; I553-V555 PolarHBondContact O-N 3.35Å; V555-E557 VanDerWaalsContact C-N 3.27Å; V555-R564 WeakPolarHBondContact O-CD 3.4Å; V555-R564 PolarHBondContact O-NH1 3.22Å; V555-M573 HydrophobicContact CG2-CB 4.16Å; V555-N576 WeakPolarHBondContact CG1-ND2 3.23Å
556L91.8Very high91Very high39 Ų3940.5 Ų40.520%0.20421%0.214CC..G310 helixtrans-79.8-9176.8-58.7177.4000113I553 G554 Q563 R564 M573I553-L556 VanDerWaalsContact O-CB 3.24Å; I553-L556 WeakPolarHBondContact O-CB 3.43Å; I553-L556 PolarHBondContact O-N 2.94Å; G554-L556 PolarHBondContact O-N 3.11Å; G554-L556 VanDerWaalsContact O-N 3.11Å; L556-Q563 CarbonylContact O-C 3.48Å; L556-Q563 WeakPolarHBondContact O-CA 3.34Å; L556-R564 WeakPolarHBondContact O-CB 3.45Å; L556-R564 PolarHBondContact O-N 2.99Å; L556-M573 HydrophobicContact CD1-SD 4.08Å; L556-M573 HydrophobicContact CD2-CB 3.97Å; L556-M573 HydrophobicContact CD2-CG 4.42Å; L556-M573 HydrophobicContact CD2-SD 4.07Å
557E91.9Very high90.4Very high39 Ų3951 Ų5118%0.18225%0.253CS..BIsolated β-bridgetrans-120.9139.1178.7-62.6-175.6172.800111.3K431 T508 N509 G554 V555 N562K431-E557 WeakPolarHBondContact CE-O 3.44Å; K431-E557 PolarHBondContact NZ-O 3.41Å; T508-E557 WeakPolarHBondContact CA-OE2 3.44Å; T508-E557 WeakPolarHBondContact CB-OE2 3.49Å; T508-E557 HydrophobicContact CG2-CB 4.04Å; T508-E557 HydrophobicContact CG2-CG 4.12Å; T508-E557 WeakPolarHBondContact CG2-OE2 3.42Å; N509-E557 WeakPolarHBondContact CA-OE2 3.28Å; N509-E557 PolarHBondContact N-OE2 3.23Å; G554-E557 PolarHBondContact O-N 2.83Å; G554-E557 VanDerWaalsContact O-N 3.13Å; V555-E557 VanDerWaalsContact C-N 3.27Å; E557-N562 CarbonylContact C-O 3.35Å; E557-N562 VanDerWaalsContact CA-O 3.26Å; E557-N562 WeakPolarHBondContact CA-O 3.5Å
558D90.3Very high89.8Confident33 Ų3354.1 Ų54.118%0.17627%0.271CS..  trans-76.9-179.7179.874.910.4000112.6F427 N560 G561 N562 R564F427-D558 HydrophobicContact CE2-CB 4.48Å; D558-N560 PolarHBondContact O-N 3.44Å; D558-N560 VanDerWaalsContact OD1-CA 3.3Å; D558-N560 WeakPolarHBondContact OD1-CA 3.16Å; D558-N560 WeakPolarHBondContact OD1-CB 3.49Å; D558-N560 PolarHBondContact OD1-N 3.04Å; D558-G561 PolarHBondContact O-N 2.86Å; D558-G561 PolarHBondContact OD1-N 2.86Å; D558-N562 PolarHBondContact N-O 3.19Å; D558-N562 PolarHBondContact OD1-N 3.46Å; D558-N562 PolarHBondContact OD2-ND2 3.09Å; D558-R564 HydrophobicContact CB-CG 3.94Å
559F91.2Very high89.3Confident72 Ų7253.1 Ų53.132%0.31627%0.266SS..THydrogen-bonded Turntrans-68.3-12.5179.658.5-105.3000114.4K431 Q434 N511K431-F559 HydrophobicContact CG-CB 4.44Å; Q434-F559 HydrophobicContact CB-CB 3.93Å; Q434-F559 HydrophobicContact CG-CB 4.49Å; N511-F559 VanDerWaalsContact CB-O 3.27Å; N511-F559 WeakPolarHBondContact CB-O 3.33Å; N511-F559 WeakPolarHBondContact ND2-CA 3.45Å; N511-F559 PolarHBondContact ND2-O 3.43Å
560N87.5Confident88.8Confident96 Ų9658 Ų5851%0.51329%0.288SS..THydrogen-bonded Turntrans-92.8-7.1172.6-60.8-54.9000112.3D558D558-N560 PolarHBondContact O-N 3.44Å; D558-N560 VanDerWaalsContact OD1-CA 3.3Å; D558-N560 WeakPolarHBondContact OD1-CA 3.16Å; D558-N560 WeakPolarHBondContact OD1-CB 3.49Å; D558-N560 PolarHBondContact OD1-N 3.04Å
561G85.9Confident88.5Confident11 Ų1159.7 Ų59.711%0.11330%0.303CS..SBendtrans8416.3-174.800000114.2D558D558-G561 PolarHBondContact O-N 2.86Å; D558-G561 PolarHBondContact OD1-N 2.86Å
562N90.1Very high88.1Confident93 Ų9359.5 Ų59.550%0.49730%0.302SS..  trans-88.3145174.4-55.3-53.4000110.8E557 D558 R564E557-N562 CarbonylContact C-O 3.35Å; E557-N562 VanDerWaalsContact CA-O 3.26Å; E557-N562 WeakPolarHBondContact CA-O 3.5Å; D558-N562 PolarHBondContact N-O 3.19Å; D558-N562 PolarHBondContact OD1-N 3.46Å; D558-N562 PolarHBondContact OD2-ND2 3.09Å; N562-R564 PolarHBondContact O-N 3.28Å
563Q89.1Confident87.8Confident140 Ų14061.8 Ų61.865%0.65431%0.313SS*.BIsolated β-bridgetrans-64.8130.6173.7-169.6-177.6-7.900111.2L556 L565L556-Q563 CarbonylContact O-C 3.48Å; L556-Q563 WeakPolarHBondContact O-CA 3.34Å; Q563-L565 HydrophobicContact CG-CD2 4.06Å
564R88.6Confident87.7Confident41 Ų4162.4 Ų62.416%0.15532%0.317CS..  trans-88.6114.6174.8-62.6171.466.3-153.46.3109.6F427 V555 L556 D558 N562 S569F427-R564 VanDerWaalsContact CZ-CD 3.49Å; F427-R564 VanDerWaalsContact CZ-NH1 3.26Å; V555-R564 WeakPolarHBondContact O-CD 3.4Å; V555-R564 PolarHBondContact O-NH1 3.22Å; L556-R564 WeakPolarHBondContact O-CB 3.45Å; L556-R564 PolarHBondContact O-N 2.99Å; D558-R564 HydrophobicContact CB-CG 3.94Å; N562-R564 PolarHBondContact O-N 3.28Å; R564-S569 VanDerWaalsContact CB-CB 3.46Å; R564-S569 WeakPolarHBondContact O-CB 3.41Å; R564-S569 PolarHBondContact O-OG 3.19Å
565L84.4Confident87.3Confident139 Ų13963.5 Ų63.573%0.72833%0.325SS*.  trans-94-0.4-177.5-58.3177000114.3Q563Q563-L565 HydrophobicContact CG-CD2 4.06Å
566G83.7Confident87.1Confident40 Ų4063.5 Ų63.541%0.41233%0.326SS..SBendtrans-83.8172-171.800000115.6D568 S569 H570G566-D568 PolarHBondContact O-N 3.45Å; G566-S569 PolarHBondContact O-N 3.13Å; G566-S569 PolarHBondContact O-OG 2.9Å; G566-H570 PolarHBondContact O-ND1 3.22Å
567R84.6Confident86.8Confident220 Ų22064.5 Ų64.583%0.8333%0.33SS*.Hα-helixtrans-58.3-37.4175.4-175.4-178.6-68.2-156.9-0.3112.3S569 H570 A571R567-S569 VanDerWaalsContact C-N 3.35Å; R567-S569 PolarHBondContact O-N 2.94Å; R567-H570 PolarHBondContact O-N 3.44Å; R567-A571 WeakPolarHBondContact O-CB 3.39Å; R567-A571 PolarHBondContact O-N 3.39Å
568D83.9Confident86.5Confident69 Ų6969.7 Ų69.737%0.36935%0.352SS..Hα-helixtrans-67.9-31.4-176.3-65.9-16.4000113.2G566 G572G566-D568 PolarHBondContact O-N 3.45Å; D568-G572 PolarHBondContact O-N 2.84Å
569S85.6Confident86.1Confident1 Ų169.9 Ų69.91%0.00735%0.352CS..Hα-helixtrans-70.2-44175.358.60000111.6R564 G566 R567 A571 G572 M573R564-S569 VanDerWaalsContact CB-CB 3.46Å; R564-S569 WeakPolarHBondContact O-CB 3.41Å; R564-S569 PolarHBondContact O-OG 3.19Å; G566-S569 PolarHBondContact O-N 3.13Å; G566-S569 PolarHBondContact O-OG 2.9Å; R567-S569 VanDerWaalsContact C-N 3.35Å; R567-S569 PolarHBondContact O-N 2.94Å; S569-A571 VanDerWaalsContact C-N 3.32Å; S569-A571 PolarHBondContact O-N 3.36Å; S569-G572 PolarHBondContact O-N 3.11Å; S569-M573 PolarHBondContact O-N 2.94Å
570H85.9Confident85.9Confident101 Ų10166.5 Ų66.547%0.46834%0.337SS..Hα-helixtrans-62.8-39.7174.4-64.387.5000111.7G566 R567 M573 I574G566-H570 PolarHBondContact O-ND1 3.22Å; R567-H570 PolarHBondContact O-N 3.44Å; H570-M573 PolarHBondContact O-N 3.42Å; H570-I574 WeakPolarHBondContact O-CB 3.31Å; H570-I574 WeakPolarHBondContact O-CD1 3.45Å; H570-I574 VanDerWaalsContact O-CG1 3.23Å; H570-I574 WeakPolarHBondContact O-CG1 3.4Å; H570-I574 PolarHBondContact O-N 3.5Å
571A85.2Confident85.9Confident38 Ų3864.4 Ų64.431%0.31433%0.326SS..Hα-helixtrans-61.5-45.2175.300000111.8R567 S569 I574 A575R567-A571 WeakPolarHBondContact O-CB 3.39Å; R567-A571 PolarHBondContact O-N 3.39Å; S569-A571 VanDerWaalsContact C-N 3.32Å; S569-A571 PolarHBondContact O-N 3.36Å; A571-I574 PolarHBondContact O-N 2.95Å; A571-A575 VanDerWaalsContact O-CB 3.32Å; A571-A575 WeakPolarHBondContact O-CB 3.41Å; A571-A575 PolarHBondContact O-N 2.71Å
572G85Confident86Confident1 Ų165.6 Ų65.61%0.0133%0.332CS..Hα-helixtrans-60.7-45.4174.800000112.7D568 S569 I574 A575 N576D568-G572 PolarHBondContact O-N 2.84Å; S569-G572 PolarHBondContact O-N 3.11Å; G572-I574 PolarHBondContact O-N 3.41Å; G572-A575 PolarHBondContact O-N 3.06Å; G572-N576 PolarHBondContact O-N 3.48Å
573M86.2Confident86Confident48 Ų4861.2 Ų61.224%0.23631%0.308CS..Hα-helixtrans-59.1-48.5176-179.4-171.2177.700111.4I552 V555 L556 S569 H570 A575 N576 M577I552-M573 HydrophobicContact CG2-CE 4.16Å; I552-M573 HydrophobicContact CG2-CG 3.81Å; V555-M573 HydrophobicContact CG2-CB 4.16Å; L556-M573 HydrophobicContact CD1-SD 4.08Å; L556-M573 HydrophobicContact CD2-CB 3.97Å; L556-M573 HydrophobicContact CD2-CG 4.42Å; L556-M573 HydrophobicContact CD2-SD 4.07Å; S569-M573 PolarHBondContact O-N 2.94Å; H570-M573 PolarHBondContact O-N 3.42Å; M573-A575 VanDerWaalsContact C-N 3.32Å; M573-A575 PolarHBondContact O-N 3.21Å; M573-N576 PolarHBondContact O-N 3.38Å; M573-M577 HydrophobicContact CE-SD 3.93Å; M573-M577 HydrophobicContact CG-SD 4.35Å; M573-M577 WeakPolarHBondContact O-CG 3.34Å; M573-M577 PolarHBondContact O-N 3.48Å
574I86.7Confident85.9Confident88 Ų8857.7 Ų57.745%0.45129%0.289SS..Hα-helixtrans-62.6-40.4178.6-69.1164.9000110.9H570 A571 G572 M577 K578H570-I574 WeakPolarHBondContact O-CB 3.31Å; H570-I574 WeakPolarHBondContact O-CD1 3.45Å; H570-I574 VanDerWaalsContact O-CG1 3.23Å; H570-I574 WeakPolarHBondContact O-CG1 3.4Å; H570-I574 PolarHBondContact O-N 3.5Å; A571-I574 PolarHBondContact O-N 2.95Å; G572-I574 PolarHBondContact O-N 3.41Å; I574-M577 PolarHBondContact O-N 2.89Å; I574-K578 HydrophobicContact CG2-CD 4.22Å; I574-K578 HydrophobicContact CG2-CG 4.5Å; I574-K578 WeakPolarHBondContact O-CG 3.43Å; I574-K578 PolarHBondContact O-N 3.23Å
575A84.5Confident85.9Confident22 Ų2259 Ų5918%0.18230%0.304CS..Hα-helixtrans-61.7-48.5176.900000111.2W419 A571 G572 M573 M577 K578 Q579W419-A575 HydrophobicContact CE3-CB 3.91Å; W419-A575 HydrophobicContact CZ3-CB 3.77Å; A571-A575 VanDerWaalsContact O-CB 3.32Å; A571-A575 WeakPolarHBondContact O-CB 3.41Å; A571-A575 PolarHBondContact O-N 2.71Å; G572-A575 PolarHBondContact O-N 3.06Å; M573-A575 VanDerWaalsContact C-N 3.32Å; M573-A575 PolarHBondContact O-N 3.21Å; A575-M577 VanDerWaalsContact C-N 3.35Å; A575-M577 PolarHBondContact O-N 2.55Å; A575-K578 PolarHBondContact O-N 3.46Å; A575-Q579 VanDerWaalsContact O-CB 3.3Å; A575-Q579 WeakPolarHBondContact O-CB 3.18Å; A575-Q579 PolarHBondContact O-N 2.87Å
576N87.1Confident86.1Confident3 Ų353 Ų532%0.01627%0.272CS..Hα-helixtrans-60-41.1174-85.9-31.1000112.5W419 I550 D551 I552 V555 G572 M573 Q579 T580W419-N576 WeakPolarHBondContact CH2-OD1 3.49Å; I550-N576 PolarHBondContact O-ND2 3.19Å; D551-N576 VanDerWaalsContact C-ND2 3.32Å; D551-N576 PolarHBondContact O-ND2 3.15Å; I552-N576 HydrophobicContact CG1-CB 3.96Å; V555-N576 WeakPolarHBondContact CG1-ND2 3.23Å; G572-N576 PolarHBondContact O-N 3.48Å; M573-N576 PolarHBondContact O-N 3.38Å; N576-Q579 PolarHBondContact O-N 2.79Å; N576-T580 WeakPolarHBondContact O-CG2 3.29Å; N576-T580 PolarHBondContact O-N 2.61Å; N576-T580 PolarHBondContact O-OG1 3.46Å
577M86.4Confident86.4Confident60 Ų6051 Ų5130%0.29625%0.253SS..Hα-helixtrans-62.3-47.3175.5-73.7-17776.300111.8I552 M573 I574 A575 Q579 T580 D581 R603I552-M577 HydrophobicContact CD1-CG 4.35Å; I552-M577 HydrophobicContact CG1-CG 4.42Å; I552-M577 HydrophobicContact CG2-CG 3.76Å; I552-M577 HydrophobicContact CG2-SD 4.44Å; M573-M577 HydrophobicContact CE-SD 3.93Å; M573-M577 HydrophobicContact CG-SD 4.35Å; M573-M577 WeakPolarHBondContact O-CG 3.34Å; M573-M577 PolarHBondContact O-N 3.48Å; I574-M577 PolarHBondContact O-N 2.89Å; A575-M577 VanDerWaalsContact C-N 3.35Å; A575-M577 PolarHBondContact O-N 2.55Å; M577-Q579 VanDerWaalsContact C-N 3.28Å; M577-Q579 PolarHBondContact O-N 2.71Å; M577-T580 WeakPolarHBondContact CA-OG1 3.13Å; M577-T580 PolarHBondContact O-N 3.12Å; M577-T580 PolarHBondContact O-OG1 3.47Å; M577-D581 PolarHBondContact O-N 3.38Å; M577-D581 VanDerWaalsContact O-N 3.1Å; M577-R603 PolarHBondContact O-NH2 3.3Å
578K84.8Confident86.6Confident147 Ų14743.3 Ų43.364%0.63923%0.225SC*.Hα-helixtrans-60.3-42176.4-74.3176.7178.6-178.80111.5I574 A575 T580 D581I574-K578 HydrophobicContact CG2-CD 4.22Å; I574-K578 HydrophobicContact CG2-CG 4.5Å; I574-K578 WeakPolarHBondContact O-CG 3.43Å; I574-K578 PolarHBondContact O-N 3.23Å; A575-K578 PolarHBondContact O-N 3.46Å; K578-T580 VanDerWaalsContact C-N 3.29Å; K578-T580 PolarHBondContact O-N 3.03Å; K578-D581 WeakPolarHBondContact O-CB 3.06Å; K578-D581 PolarHBondContact O-N 3.45Å; K578-D581 VanDerWaalsContact O-N 3.1Å
579Q81.5Confident86.7Confident38 Ų3847 Ų4718%0.17823%0.234CC..Hα-helixtrans-67.2-32.8-179-168.952.157.500112W419 A575 N576 M577 K704 L705W419-Q579 HydrophobicContact CD2-CG 4.42Å; W419-Q579 HydrophobicContact CZ2-CG 4.44Å; A575-Q579 VanDerWaalsContact O-CB 3.3Å; A575-Q579 WeakPolarHBondContact O-CB 3.18Å; A575-Q579 PolarHBondContact O-N 2.87Å; N576-Q579 PolarHBondContact O-N 2.79Å; M577-Q579 VanDerWaalsContact C-N 3.28Å; M577-Q579 PolarHBondContact O-N 2.71Å; Q579-K704 PolarHBondContact NE2-O 3.41Å; Q579-L705 HydrophobicContact CB-CD2 4.49Å; Q579-L705 HydrophobicContact CG-CD2 3.47Å; Q579-L705 VanDerWaalsContact CG-CD2 3.47Å
580T86.8Confident86.6Confident1 Ų148.6 Ų48.61%0.00624%0.241CC..Hα-helixtrans-78.6-12.517254.20000114.2I552 N576 M577 K578 C582 L583 R584 R603 L607I552-T580 HydrophobicContact CD1-CG2 4.32Å; N576-T580 WeakPolarHBondContact O-CG2 3.29Å; N576-T580 PolarHBondContact O-N 2.61Å; N576-T580 PolarHBondContact O-OG1 3.46Å; M577-T580 WeakPolarHBondContact CA-OG1 3.13Å; M577-T580 PolarHBondContact O-N 3.12Å; M577-T580 PolarHBondContact O-OG1 3.47Å; K578-T580 VanDerWaalsContact C-N 3.29Å; K578-T580 PolarHBondContact O-N 3.03Å; T580-C582 VanDerWaalsContact C-N 3.31Å; T580-C582 PolarHBondContact O-N 3.4Å; T580-L583 CarbonylContact O-C 3.56Å; T580-L583 PolarHBondContact O-N 3.31Å; T580-R584 WeakPolarHBondContact O-CB 3.15Å; T580-R584 PolarHBondContact O-N 2.85Å; T580-R603 PolarHBondContact OG1-NE 2.8Å; T580-R603 PolarHBondContact OG1-NH2 2.84Å; T580-L607 HydrophobicContact CG2-CB 3.85Å; T580-L607 HydrophobicContact CG2-CD1 3.59Å; T580-L607 HydrophobicContact CG2-CD2 4.42Å; T580-L607 HydrophobicContact CG2-CG 4.15Å
581D88.6Confident86.2Confident52 Ų5249 Ų4928%0.27825%0.252SS..Hα-helixtrans-66.9-32.9179.9-74.6-25.7000112.6M577 K578 R584 S585 R603M577-D581 PolarHBondContact O-N 3.38Å; M577-D581 VanDerWaalsContact O-N 3.1Å; K578-D581 WeakPolarHBondContact O-CB 3.06Å; K578-D581 PolarHBondContact O-N 3.45Å; K578-D581 VanDerWaalsContact O-N 3.1Å; D581-R584 IonicContact OD1-CZ 3.33Å; D581-R584 IonicContact OD1-NH1 2.72Å; D581-R584 PolarHBondContact OD1-NH1 3.33Å; D581-R584 IonicContact OD1-NH2 3.73Å; D581-S585 PolarHBondContact O-N 3.42Å; D581-S585 VanDerWaalsContact O-N 3.08Å; D581-S585 PolarHBondContact O-OG 2.88Å; D581-R603 IonicContact OD1-CZ 3.64Å; D581-R603 IonicContact OD1-NH1 3.78Å; D581-R603 IonicContact OD1-NH2 2.82Å; D581-R603 PolarHBondContact OD1-NH2 3.12Å
582C87.9Confident85.8Confident36 Ų3649.5 Ų49.524%0.24325%0.25CC..Hα-helixtrans-61.9-50.9171.2-173.20000110.2T580 R584 S585 H586 C703T580-C582 VanDerWaalsContact C-N 3.31Å; T580-C582 PolarHBondContact O-N 3.4Å; C582-R584 PolarHBondContact O-N 2.93Å; C582-S585 PolarHBondContact O-N 2.96Å; C582-H586 PolarHBondContact O-N 3.04Å; C582-C703 HydrophobicContact CB-CB 3.74Å; C582-C703 WeakPolarHBondContact CB-SG 3.38Å; C582-C703 PolarHBondContact O-SG 3.33Å; C582-C703 WeakPolarHBondContact SG-CA 3.19Å; C582-C703 WeakPolarHBondContact SG-CB 3.18Å; C582-C703 CovalentContact SG-SG 2.04Å; C582-C703 PolarHBondContact SG-SG 3Å
583L89.8Confident85.6Confident0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-61.2-45.7177.9-64.3176.7000111T580 S585 H586 Y587 I606 N610 N681 C703 L705T580-L583 CarbonylContact O-C 3.56Å; T580-L583 PolarHBondContact O-N 3.31Å; L583-S585 VanDerWaalsContact C-N 3.27Å; L583-S585 PolarHBondContact O-N 3.44Å; L583-H586 CarbonylContact O-C 3.6Å; L583-H586 WeakPolarHBondContact O-CA 3.43Å; L583-H586 VanDerWaalsContact O-CB 3.25Å; L583-H586 WeakPolarHBondContact O-CB 3.26Å; L583-H586 PolarHBondContact O-N 2.89Å; L583-Y587 HydrophobicContact CB-CD2 4.29Å; L583-Y587 HydrophobicContact CB-CE2 4.41Å; L583-Y587 HydrophobicContact CD2-CE2 4.29Å; L583-Y587 VanDerWaalsContact O-CD2 3.24Å; L583-Y587 WeakPolarHBondContact O-CD2 3.48Å; L583-Y587 PolarHBondContact O-N 3.33Å; L583-I606 HydrophobicContact CB-CG2 3.81Å; L583-I606 HydrophobicContact CD1-CG2 3.94Å; L583-I606 HydrophobicContact CG-CG2 4.41Å; L583-N610 HydrophobicContact CD1-CB 4.21Å; L583-N610 WeakPolarHBondContact CD2-OD1 3.45Å; L583-N681 WeakPolarHBondContact CD2-ND2 3.41Å; L583-C703 HydrophobicContact CD2-CB 3.46Å; L583-C703 VanDerWaalsContact CD2-CB 3.46Å; L583-C703 HydrophobicContact CG-CB 4.01Å; L583-L705 HydrophobicContact CD1-CD1 3.76Å; L583-L705 HydrophobicContact CD1-CD2 3.64Å; L583-L705 HydrophobicContact CD1-CG 3.88Å; L583-L705 HydrophobicContact CG-CD2 4.42Å
584R87.8Confident85.3Confident66 Ų6652.3 Ų52.325%0.24926%0.261CS..Hα-helixtrans-51-49.3175.5-178-175.983.5-153.1-4.4111.5T580 D581 C582 H586 Y587 K588 S597 D598T580-R584 WeakPolarHBondContact O-CB 3.15Å; T580-R584 PolarHBondContact O-N 2.85Å; D581-R584 IonicContact OD1-CZ 3.33Å; D581-R584 IonicContact OD1-NH1 2.72Å; D581-R584 PolarHBondContact OD1-NH1 3.33Å; D581-R584 IonicContact OD1-NH2 3.73Å; C582-R584 PolarHBondContact O-N 2.93Å; R584-H586 VanDerWaalsContact C-N 3.28Å; R584-H586 PolarHBondContact O-N 2.97Å; R584-Y587 PolarHBondContact O-N 3.47Å; R584-K588 HydrophobicContact CG-CD 4.45Å; R584-K588 WeakPolarHBondContact O-CB 3.37Å; R584-K588 VanDerWaalsContact O-CG 3.27Å; R584-K588 WeakPolarHBondContact O-CG 3.44Å; R584-K588 PolarHBondContact O-N 2.88Å; R584-S597 WeakPolarHBondContact CG-O 3.44Å; R584-D598 VanDerWaalsContact CD-OD1 3.31Å; R584-D598 WeakPolarHBondContact CD-OD1 3.45Å; R584-D598 IonicContact NE-OD1 3.79Å
585S87.6Confident85.1Confident68 Ų6853 Ų5348%0.47626%0.262SS..Hα-helixtrans-64-37178.8-54.30000111.7D581 C582 L583D581-S585 PolarHBondContact O-N 3.42Å; D581-S585 VanDerWaalsContact O-N 3.08Å; D581-S585 PolarHBondContact O-OG 2.88Å; C582-S585 PolarHBondContact O-N 2.96Å; L583-S585 VanDerWaalsContact C-N 3.27Å; L583-S585 PolarHBondContact O-N 3.44Å
586H88.4Confident85Confident13 Ų1352.1 Ų52.16%0.0625%0.254CS..Hα-helixtrans-64.9-51.1177-172.7-150.6000112.6C582 L583 R584 K588 R589 S680 N681C582-H586 PolarHBondContact O-N 3.04Å; L583-H586 CarbonylContact O-C 3.6Å; L583-H586 WeakPolarHBondContact O-CA 3.43Å; L583-H586 VanDerWaalsContact O-CB 3.25Å; L583-H586 WeakPolarHBondContact O-CB 3.26Å; L583-H586 PolarHBondContact O-N 2.89Å; R584-H586 VanDerWaalsContact C-N 3.28Å; R584-H586 PolarHBondContact O-N 2.97Å; H586-K588 VanDerWaalsContact C-N 3.34Å; H586-K588 PolarHBondContact O-N 3.15Å; H586-R589 PolarHBondContact CD2-NE 3.36Å; H586-R589 PolarHBondContact CD2-NH2 3.08Å; H586-R589 PolarHBondContact NE2-NH2 3.31Å; H586-R589 WeakPolarHBondContact O-CB 3.38Å; H586-R589 WeakPolarHBondContact O-CG 3.44Å; H586-R589 PolarHBondContact O-N 3.38Å; H586-R589 PolarHBondContact O-NE 2.94Å; H586-S680 PolarHBondContact CE1-OG 3.45Å; H586-N681 PolarHBondContact ND1-ND2 2.61Å; H586-N681 PolarHBondContact ND1-OD1 3.09Å
587Y90Very high84.9Confident0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-72.8-23.5-179.1-79.1-94.9000112.9L583 R584 R589 H590 S593 S597 I606 N610 I669 Y673 G677 A678L583-Y587 HydrophobicContact CB-CD2 4.29Å; L583-Y587 HydrophobicContact CB-CE2 4.41Å; L583-Y587 HydrophobicContact CD2-CE2 4.29Å; L583-Y587 VanDerWaalsContact O-CD2 3.24Å; L583-Y587 WeakPolarHBondContact O-CD2 3.48Å; L583-Y587 PolarHBondContact O-N 3.33Å; R584-Y587 PolarHBondContact O-N 3.47Å; Y587-R589 PolarHBondContact O-N 3.36Å; Y587-R589 VanDerWaalsContact O-N 3.13Å; Y587-H590 PolarHBondContact O-N 3.4Å; Y587-S593 PolarHBondContact O-OG 3.16Å; Y587-S597 WeakPolarHBondContact CB-OG 3.43Å; Y587-I606 HydrophobicContact CD1-CD1 4.22Å; Y587-I606 HydrophobicContact CD1-CG1 4.47Å; Y587-I606 HydrophobicContact CD2-CD1 4.28Å; Y587-I606 HydrophobicContact CD2-CG2 3.78Å; Y587-I606 HydrophobicContact CE1-CG1 4.45Å; Y587-I606 HydrophobicContact CE2-CG2 3.51Å; Y587-I606 HydrophobicContact CG-CD1 3.98Å; Y587-I606 HydrophobicContact CG-CG2 4.46Å; Y587-N610 PolarHBondContact OH-ND2 3.05Å; Y587-I669 HydrophobicContact CD1-CD1 3.36Å; Y587-I669 HydrophobicContact CE1-CD1 3.1Å; Y587-Y673 VanDerWaalsContact CE1-O 3.25Å; Y587-Y673 WeakPolarHBondContact CE1-O 3.35Å; Y587-G677 VanDerWaalsContact CZ-CA 3.49Å; Y587-G677 WeakPolarHBondContact OH-CA 3.44Å; Y587-A678 PolarHBondContact OH-N 3.02Å; Y587-A678 VanDerWaalsContact OH-N 3.15Å
588K89.6Confident84.8Confident57 Ų5752.8 Ų52.825%0.24826%0.259CS..THydrogen-bonded Turntrans-60.3-19170.6-84.9-175.6177.2-164.40113.5R584 H586 H590 F594 D598R584-K588 HydrophobicContact CG-CD 4.45Å; R584-K588 WeakPolarHBondContact O-CB 3.37Å; R584-K588 VanDerWaalsContact O-CG 3.27Å; R584-K588 WeakPolarHBondContact O-CG 3.44Å; R584-K588 PolarHBondContact O-N 2.88Å; H586-K588 VanDerWaalsContact C-N 3.34Å; H586-K588 PolarHBondContact O-N 3.15Å; K588-H590 PolarHBondContact O-N 3.02Å; K588-F594 HydrophobicContact CB-CD2 4.11Å; K588-F594 HydrophobicContact CB-CE2 4.44Å; K588-F594 HydrophobicContact CG-CD2 4.27Å; K588-F594 VanDerWaalsContact O-CD2 3.26Å; K588-F594 WeakPolarHBondContact O-CD2 3.26Å; K588-D598 VanDerWaalsContact CE-CG 3.44Å; K588-D598 WeakPolarHBondContact CE-OD1 3.21Å; K588-D598 VanDerWaalsContact CE-OD2 3.24Å; K588-D598 WeakPolarHBondContact CE-OD2 3.5Å; K588-D598 IonicContact NZ-OD1 2.75Å; K588-D598 PolarHBondContact NZ-OD1 3.3Å; K588-D598 IonicContact NZ-OD2 2.74Å; K588-D598 PolarHBondContact NZ-OD2 3.03Å
589R85.5Confident85Confident147 Ų14749.8 Ų49.856%0.55524%0.244SC*.THydrogen-bonded Turntrans-68.8-11.7177.8-59.9-169.9-64.2161.60.4113.8H586 Y587H586-R589 PolarHBondContact CD2-NE 3.36Å; H586-R589 PolarHBondContact CD2-NH2 3.08Å; H586-R589 PolarHBondContact NE2-NH2 3.31Å; H586-R589 WeakPolarHBondContact O-CB 3.38Å; H586-R589 WeakPolarHBondContact O-CG 3.44Å; H586-R589 PolarHBondContact O-N 3.38Å; H586-R589 PolarHBondContact O-NE 2.94Å; Y587-R589 PolarHBondContact O-N 3.36Å; Y587-R589 VanDerWaalsContact O-N 3.13Å
590H82.6Confident85.3Confident35 Ų3552 Ų5216%0.16226%0.256CS..SBendtrans-106.6130.4179.3-50.7-60.7000111.5Y587 K588 D592 S593 F594 Y673Y587-H590 PolarHBondContact O-N 3.4Å; K588-H590 PolarHBondContact O-N 3.02Å; H590-D592 VanDerWaalsContact C-N 3.32Å; H590-D592 PolarHBondContact O-N 3.04Å; H590-S593 WeakPolarHBondContact CB-OG 3.4Å; H590-S593 PolarHBondContact O-N 3.41Å; H590-S593 PolarHBondContact O-OG 3.33Å; H590-F594 PolarHBondContact O-N 3.39Å; H590-Y673 HydrophobicContact CB-CD1 3.74Å; H590-Y673 HydrophobicContact CB-CD2 3.95Å; H590-Y673 HydrophobicContact CB-CE1 3.55Å; H590-Y673 HydrophobicContact CB-CE2 3.81Å; H590-Y673 HydrophobicContact CB-CG 3.96Å; H590-Y673 AromaticContact CD2-CD1 3.43Å; H590-Y673 VanDerWaalsContact CD2-CD1 3.43Å; H590-Y673 WeakPolarHBondContact CD2-CD1 3.4Å; H590-Y673 AromaticContact CD2-CE1 3.92Å; H590-Y673 AromaticContact CD2-CG 3.92Å; H590-Y673 AromaticContact CE1-CD1 3.96Å; H590-Y673 AromaticContact CE1-CE1 3.96Å; H590-Y673 AromaticContact CG-CD1 3.34Å; H590-Y673 AromaticContact CG-CE1 3.34Å; H590-Y673 AromaticContact CG-CG 3.95Å; H590-Y673 AromaticContact CG-CZ 3.95Å; H590-Y673 AromaticContact ND1-CD1 3.7Å; H590-Y673 AromaticContact ND1-CE1 3.38Å; H590-Y673 WeakPolarHBondContact ND1-CE1 3.48Å; H590-Y673 AromaticContact NE2-CD1 3.83Å
591P78Confident85.4Confident108 Ų10853 Ų5370%0.70127%0.266SS*.THydrogen-bonded Turntrans-54.6-40.6-174.6-2934.8000114.7S593P591-S593 VanDerWaalsContact C-N 3.27Å; P591-S593 PolarHBondContact O-N 2.85Å
592D76.9Confident85.5Confident49 Ų4950.5 Ų50.526%0.26225%0.253SS..THydrogen-bonded Turntrans-75.8-13.3-177.2-59.2-46.4000113.5H590 V670 Y673H590-D592 VanDerWaalsContact C-N 3.32Å; H590-D592 PolarHBondContact O-N 3.04Å; D592-V670 HydrophobicContact CB-CG1 4.42Å; D592-V670 HydrophobicContact CB-CG2 4.02Å; D592-Y673 HydrophobicContact CB-CD2 4.33Å; D592-Y673 HydrophobicContact CB-CE2 3.93Å
593S80.6Confident85.7Confident0 Ų049.6 Ų49.60%024%0.244CC..THydrogen-bonded Turntrans-111.5-6.5177.9500000114.1Y587 H590 P591 K596 S597Y587-S593 PolarHBondContact O-OG 3.16Å; H590-S593 WeakPolarHBondContact CB-OG 3.4Å; H590-S593 PolarHBondContact O-N 3.41Å; H590-S593 PolarHBondContact O-OG 3.33Å; P591-S593 VanDerWaalsContact C-N 3.27Å; P591-S593 PolarHBondContact O-N 2.85Å; S593-K596 PolarHBondContact O-N 3.14Å; S593-S597 WeakPolarHBondContact O-CB 3.41Å; S593-S597 PolarHBondContact O-N 2.98Å; S593-S597 PolarHBondContact O-OG 3.07Å
594F80.9Confident85.8Confident109 Ų10949.9 Ų49.948%0.47825%0.246SC..THydrogen-bonded Turntrans-51.7-63.6-174.7-176.5-88.5000113.2K588 H590K588-F594 HydrophobicContact CB-CD2 4.11Å; K588-F594 HydrophobicContact CB-CE2 4.44Å; K588-F594 HydrophobicContact CG-CD2 4.27Å; K588-F594 VanDerWaalsContact O-CD2 3.26Å; K588-F594 WeakPolarHBondContact O-CD2 3.26Å; H590-F594 PolarHBondContact O-N 3.39Å
595E81.4Confident86.1Confident103 Ų10347.9 Ų47.948%0.48124%0.239SC..THydrogen-bonded Turntrans-72.5-33.3179.9-70.3171.3-141.800112.4S597 D598 K663E595-S597 VanDerWaalsContact C-N 3.3Å; E595-S597 PolarHBondContact O-N 2.87Å; E595-D598 PolarHBondContact O-N 3.09Å; E595-K663 VanDerWaalsContact CD-CE 3.48Å; E595-K663 IonicContact OE1-NZ 2.67Å; E595-K663 PolarHBondContact OE1-NZ 2.67Å; E595-K663 WeakPolarHBondContact OE2-CE 3.33Å; E595-K663 IonicContact OE2-NZ 3.44Å; E595-K663 PolarHBondContact OE2-NZ 2.97Å
596K83.2Confident86.4Confident2 Ų244.9 Ų44.91%0.00922%0.218CC..G310 helixtrans-63.9-36.9-178.8-86.2-172.7129.3-177.60112S593 D598 R599 T602 H662 K663 V666 H668S593-K596 PolarHBondContact O-N 3.14Å; K596-D598 PolarHBondContact O-N 3.03Å; K596-R599 WeakPolarHBondContact O-CB 3.35Å; K596-R599 PolarHBondContact O-N 2.72Å; K596-T602 HydrophobicContact CB-CG2 4.12Å; K596-T602 WeakPolarHBondContact O-CB 3.29Å; K596-T602 WeakPolarHBondContact O-CG2 3.46Å; K596-T602 PolarHBondContact O-OG1 3.48Å; K596-H662 WeakPolarHBondContact CE-O 3.29Å; K596-H662 PolarHBondContact NZ-CE1 3.44Å; K596-H662 VanDerWaalsContact NZ-CE1 3.34Å; K596-H662 PolarHBondContact NZ-ND1 3.41Å; K596-H662 PolarHBondContact NZ-O 2.85Å; K596-K663 HydrophobicContact CD-CG 4.46Å; K596-K663 WeakPolarHBondContact CE-O 3.43Å; K596-K663 HydrophobicContact CG-CG 4.22Å; K596-V666 WeakPolarHBondContact CE-O 3.46Å; K596-V666 PolarHBondContact NZ-O 3.49Å; K596-H668 PolarHBondContact NZ-O 3.18Å
597S83.9Confident86.6Confident0 Ų044.4 Ų44.40%022%0.216CC..G310 helixtrans-61.7-16.4-177.4-59.30000113.8R584 Y587 S593 E595 R603R584-S597 WeakPolarHBondContact CG-O 3.44Å; Y587-S597 WeakPolarHBondContact CB-OG 3.43Å; S593-S597 WeakPolarHBondContact O-CB 3.41Å; S593-S597 PolarHBondContact O-N 2.98Å; S593-S597 PolarHBondContact O-OG 3.07Å; E595-S597 VanDerWaalsContact C-N 3.3Å; E595-S597 PolarHBondContact O-N 2.87Å; S597-R603 WeakPolarHBondContact O-CD 3.37Å; S597-R603 WeakPolarHBondContact O-CG 3.4Å
598D85Confident86.8Confident77 Ų7744.4 Ų44.441%0.41222%0.216SC..G310 helixtrans-84.7-16.8174.9-71.4-35.5000113.5R584 K588 E595 K596R584-D598 VanDerWaalsContact CD-OD1 3.31Å; R584-D598 WeakPolarHBondContact CD-OD1 3.45Å; R584-D598 IonicContact NE-OD1 3.79Å; K588-D598 VanDerWaalsContact CE-CG 3.44Å; K588-D598 WeakPolarHBondContact CE-OD1 3.21Å; K588-D598 VanDerWaalsContact CE-OD2 3.24Å; K588-D598 WeakPolarHBondContact CE-OD2 3.5Å; K588-D598 IonicContact NZ-OD1 2.75Å; K588-D598 PolarHBondContact NZ-OD1 3.3Å; K588-D598 IonicContact NZ-OD2 2.74Å; K588-D598 PolarHBondContact NZ-OD2 3.03Å; E595-D598 PolarHBondContact O-N 3.09Å; K596-D598 PolarHBondContact O-N 3.03Å
599R88.4Confident87.1Confident85 Ų8541.8 Ų41.832%0.32120%0.204SC..SBendtrans-77.5136.4-179.6-58-178.2-176.2-169.31.8110.6K596 G601 T602 R603 K663 N664K596-R599 WeakPolarHBondContact O-CB 3.35Å; K596-R599 PolarHBondContact O-N 2.72Å; R599-G601 PolarHBondContact O-N 3.48Å; R599-T602 PolarHBondContact O-N 3.43Å; R599-R603 WeakPolarHBondContact O-CG 3.32Å; R599-R603 PolarHBondContact O-N 3.48Å; R599-K663 PolarHBondContact NH1-O 2.94Å; R599-N664 PolarHBondContact NH1-O 2.84Å; R599-N664 VanDerWaalsContact NH1-O 3.07Å; R599-N664 PolarHBondContact NH2-OD1 3.45Å
600I87.4Confident87.6Confident84 Ų8435.3 Ų35.343%0.43118%0.181SC..Hα-helixtrans-59.7-44.5-177.9-65.4172.6000111.5I553 T602 R603 N604I553-I600 HydrophobicContact CD1-CG2 4.22Å; I553-I600 HydrophobicContact CG1-CG2 4.37Å; I600-T602 PolarHBondContact O-N 3.13Å; I600-R603 PolarHBondContact O-N 3.47Å; I600-R603 VanDerWaalsContact O-N 3.16Å; I600-N604 PolarHBondContact O-N 3.44Å
601G89.8Confident88.1Confident21 Ų2133.7 Ų33.722%0.21617%0.173CC..Hα-helixtrans-55.2-54.4176.800000111.8R599 R603 N604 E605R599-G601 PolarHBondContact O-N 3.48Å; G601-R603 VanDerWaalsContact C-N 3.31Å; G601-R603 PolarHBondContact O-N 3.48Å; G601-N604 WeakPolarHBondContact O-CB 3.44Å; G601-N604 PolarHBondContact O-N 3.08Å; G601-N604 VanDerWaalsContact O-N 3.1Å; G601-E605 PolarHBondContact O-N 3.46Å; G601-E605 VanDerWaalsContact O-N 3.12Å
602T91.2Very high89Confident0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-59-37.9175.7-57.90000113.5K596 R599 I600 N604 E605 I606 D667 I669K596-T602 HydrophobicContact CB-CG2 4.12Å; K596-T602 WeakPolarHBondContact O-CB 3.29Å; K596-T602 WeakPolarHBondContact O-CG2 3.46Å; K596-T602 PolarHBondContact O-OG1 3.48Å; R599-T602 PolarHBondContact O-N 3.43Å; I600-T602 PolarHBondContact O-N 3.13Å; T602-N604 VanDerWaalsContact C-N 3.3Å; T602-N604 PolarHBondContact O-N 3.14Å; T602-E605 PolarHBondContact O-N 3.48Å; T602-I606 HydrophobicContact CG2-CD1 3.86Å; T602-I606 HydrophobicContact CG2-CG1 4.3Å; T602-I606 VanDerWaalsContact O-CG1 3.26Å; T602-I606 WeakPolarHBondContact O-CG1 3.45Å; T602-I606 PolarHBondContact O-N 2.92Å; T602-D667 VanDerWaalsContact CA-O 3.31Å; T602-D667 WeakPolarHBondContact CA-O 3.37Å; T602-D667 VanDerWaalsContact CB-O 3.3Å; T602-D667 WeakPolarHBondContact CB-O 3.41Å; T602-D667 WeakPolarHBondContact CG2-O 3.26Å; T602-D667 PolarHBondContact OG1-O 3.32Å; T602-I669 HydrophobicContact CG2-CG2 3.59Å
603R91.2Very high90Very high17 Ų1726.2 Ų26.26%0.06413%0.128CC..Hα-helixtrans-64.6-35.7177.3-72.5174.668.1160.59.8112.3I552 M577 T580 D581 S597 R599 I600 G601 L607I552-R603 HydrophobicContact CD1-CB 3.87Å; M577-R603 PolarHBondContact O-NH2 3.3Å; T580-R603 PolarHBondContact OG1-NE 2.8Å; T580-R603 PolarHBondContact OG1-NH2 2.84Å; D581-R603 IonicContact OD1-CZ 3.64Å; D581-R603 IonicContact OD1-NH1 3.78Å; D581-R603 IonicContact OD1-NH2 2.82Å; D581-R603 PolarHBondContact OD1-NH2 3.12Å; S597-R603 WeakPolarHBondContact O-CD 3.37Å; S597-R603 WeakPolarHBondContact O-CG 3.4Å; R599-R603 WeakPolarHBondContact O-CG 3.32Å; R599-R603 PolarHBondContact O-N 3.48Å; I600-R603 PolarHBondContact O-N 3.47Å; I600-R603 VanDerWaalsContact O-N 3.16Å; G601-R603 VanDerWaalsContact C-N 3.31Å; G601-R603 PolarHBondContact O-N 3.48Å; R603-L607 WeakPolarHBondContact O-CB 3.34Å; R603-L607 PolarHBondContact O-N 3.44Å
604N92.3Very high90.7Very high7 Ų728.1 Ų28.14%0.03714%0.136CC..Hα-helixtrans-64.5-46.8173.1-88.2-4.4000111.6D551 I552 I553 I600 G601 T602 I606 L607 A608D551-N604 VanDerWaalsContact CG-CG 3.41Å; D551-N604 PolarHBondContact OD1-ND2 3.02Å; D551-N604 VanDerWaalsContact OD2-CG 3.3Å; D551-N604 PolarHBondContact OD2-ND2 2.98Å; I552-N604 WeakPolarHBondContact CB-OD1 3.32Å; I552-N604 WeakPolarHBondContact CD1-OD1 3.3Å; I552-N604 WeakPolarHBondContact CG1-OD1 3.39Å; I552-N604 PolarHBondContact N-OD1 3.12Å; I552-N604 VanDerWaalsContact N-OD1 3.08Å; I553-N604 WeakPolarHBondContact CD1-ND2 3.31Å; I553-N604 WeakPolarHBondContact CG1-ND2 3.42Å; I600-N604 PolarHBondContact O-N 3.44Å; G601-N604 WeakPolarHBondContact O-CB 3.44Å; G601-N604 PolarHBondContact O-N 3.08Å; G601-N604 VanDerWaalsContact O-N 3.1Å; T602-N604 VanDerWaalsContact C-N 3.3Å; T602-N604 PolarHBondContact O-N 3.14Å; N604-I606 VanDerWaalsContact C-N 3.32Å; N604-I606 PolarHBondContact O-N 3.08Å; N604-L607 WeakPolarHBondContact O-CB 3.22Å; N604-L607 PolarHBondContact O-N 3.17Å; N604-L607 VanDerWaalsContact O-N 3.13Å; N604-A608 WeakPolarHBondContact O-CB 3.44Å; N604-A608 PolarHBondContact O-N 2.79Å
605E94.5Very high91.5Very high24 Ų2422.9 Ų22.911%0.11211%0.113CC..Hα-helixtrans-59.7-42.7176.7-60.3-48.9140.300112.3H544 H548 G601 T602 L607 A608 D609 D667 H668H544-E605 IonicContact CE1-OE2 3.93Å; H544-E605 IonicContact NE2-OE2 2.85Å; H544-E605 PolarHBondContact NE2-OE2 3.36Å; H548-E605 IonicContact CE1-OE1 2.76Å; H548-E605 PolarHBondContact CE1-OE1 3.41Å; H548-E605 IonicContact CE1-OE2 2.85Å; H548-E605 IonicContact NE2-OE1 3.98Å; H548-E605 IonicContact NE2-OE2 3.72Å; G601-E605 PolarHBondContact O-N 3.46Å; G601-E605 VanDerWaalsContact O-N 3.12Å; T602-E605 PolarHBondContact O-N 3.48Å; E605-L607 VanDerWaalsContact C-N 3.35Å; E605-L607 PolarHBondContact O-N 3.16Å; E605-A608 PolarHBondContact O-N 3.36Å; E605-D609 WeakPolarHBondContact O-CB 3.45Å; E605-D609 VanDerWaalsContact O-CG 3.32Å; E605-D609 PolarHBondContact O-N 2.91Å; E605-D667 HydrophobicContact CG-CB 4.04Å; E605-H668 IonicContact OE2-CD2 2.73Å; E605-H668 PolarHBondContact OE2-CD2 3.36Å; E605-H668 IonicContact OE2-CE1 2.92Å; E605-H668 IonicContact OE2-NE2 3.66Å; E605-H668 PolarHBondContact OE2-NE2 3.35Å; E605-H668 VanDerWaalsContact OE2-NE2 3.11Å
606I93.2Very high92.2Very high4 Ų418 Ų182%0.0219%0.09CC..Hα-helixtrans-62-43.5175.9-70.3171.5000110.6L583 Y587 T602 N604 N610 I669L583-I606 HydrophobicContact CB-CG2 3.81Å; L583-I606 HydrophobicContact CD1-CG2 3.94Å; L583-I606 HydrophobicContact CG-CG2 4.41Å; Y587-I606 HydrophobicContact CD1-CD1 4.22Å; Y587-I606 HydrophobicContact CD1-CG1 4.47Å; Y587-I606 HydrophobicContact CD2-CD1 4.28Å; Y587-I606 HydrophobicContact CD2-CG2 3.78Å; Y587-I606 HydrophobicContact CE1-CG1 4.45Å; Y587-I606 HydrophobicContact CE2-CG2 3.51Å; Y587-I606 HydrophobicContact CG-CD1 3.98Å; Y587-I606 HydrophobicContact CG-CG2 4.46Å; T602-I606 HydrophobicContact CG2-CD1 3.86Å; T602-I606 HydrophobicContact CG2-CG1 4.3Å; T602-I606 VanDerWaalsContact O-CG1 3.26Å; T602-I606 WeakPolarHBondContact O-CG1 3.45Å; T602-I606 PolarHBondContact O-N 2.92Å; N604-I606 VanDerWaalsContact C-N 3.32Å; N604-I606 PolarHBondContact O-N 3.08Å; I606-N610 PolarHBondContact O-N 3.16Å; I606-N610 VanDerWaalsContact O-N 3.1Å; I606-N610 PolarHBondContact O-ND2 3.24Å; I606-I669 HydrophobicContact CD1-CG2 4.35Å; I606-I669 HydrophobicContact CG1-CD1 4.27Å
607L93Very high92.9Very high3 Ų318.7 Ų18.72%0.0169%0.093CC..Hα-helixtrans-61.4-45.4176.6-175.576.8000110.8D551 T580 R603 N604 E605 G611 L705D551-L607 HydrophobicContact CB-CD2 3.69Å; T580-L607 HydrophobicContact CG2-CB 3.85Å; T580-L607 HydrophobicContact CG2-CD1 3.59Å; T580-L607 HydrophobicContact CG2-CD2 4.42Å; T580-L607 HydrophobicContact CG2-CG 4.15Å; R603-L607 WeakPolarHBondContact O-CB 3.34Å; R603-L607 PolarHBondContact O-N 3.44Å; N604-L607 WeakPolarHBondContact O-CB 3.22Å; N604-L607 PolarHBondContact O-N 3.17Å; N604-L607 VanDerWaalsContact O-N 3.13Å; E605-L607 VanDerWaalsContact C-N 3.35Å; E605-L607 PolarHBondContact O-N 3.16Å; L607-G611 PolarHBondContact O-N 3.08Å; L607-L705 HydrophobicContact CD1-CD1 3.5Å; L607-L705 HydrophobicContact CD1-CD2 3.51Å; L607-L705 HydrophobicContact CD1-CG 4.11Å; L607-L705 HydrophobicContact CG-CD1 4.29Å
608A95.3Very high93.4Very high0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-65.8-41.1179.400000112.4H544 M547 N604 E605 G612H544-A608 VanDerWaalsContact CE1-CB 3.49Å; H544-A608 WeakPolarHBondContact CE1-CB 3.36Å; M547-A608 HydrophobicContact CB-CB 3.94Å; N604-A608 WeakPolarHBondContact O-CB 3.44Å; N604-A608 PolarHBondContact O-N 2.79Å; E605-A608 PolarHBondContact O-N 3.36Å; A608-G612 WeakPolarHBondContact O-CA 3.42Å; A608-G612 PolarHBondContact O-N 3.46Å
609D95.6Very high93.9Very high2 Ų216.8 Ų16.81%0.0118%0.082CC..Hα-helixtrans-60.3-50.6175.3-79.1-7.1000112.1W540 H544 E605 L613 R674W540-D609 HydrophobicContact CZ2-CB 4.46Å; W540-D609 WeakPolarHBondContact CZ2-OD1 3.42Å; W540-D609 PolarHBondContact NE1-O 2.9Å; H544-D609 IonicContact CE1-OD1 3.1Å; H544-D609 PolarHBondContact CE1-OD1 3.06Å; H544-D609 PolarHBondContact ND1-N 2.84Å; H544-D609 IonicContact ND1-OD1 2.86Å; H544-D609 PolarHBondContact ND1-OD1 3.27Å; E605-D609 WeakPolarHBondContact O-CB 3.45Å; E605-D609 VanDerWaalsContact O-CG 3.32Å; E605-D609 PolarHBondContact O-N 2.91Å; D609-L613 VanDerWaalsContact O-CB 3.29Å; D609-L613 WeakPolarHBondContact O-CB 3.45Å; D609-L613 PolarHBondContact O-N 3.19Å; D609-L613 VanDerWaalsContact O-N 3.08Å; D609-R674 IonicContact OD1-CZ 2.73Å; D609-R674 IonicContact OD1-NE 2.78Å; D609-R674 PolarHBondContact OD1-NE 3.2Å; D609-R674 IonicContact OD1-NH2 3.88Å; D609-R674 PolarHBondContact OD1-NH2 3.01Å; D609-R674 WeakPolarHBondContact OD2-CG 3.48Å; D609-R674 IonicContact OD2-CZ 3.43Å; D609-R674 IonicContact OD2-NE 3.82Å; D609-R674 PolarHBondContact OD2-NE 3.43Å; D609-R674 IonicContact OD2-NH2 3.58Å
610N94.6Very high94.3Very high12 Ų1212.9 Ų12.96%0.0647%0.068CC..Hα-helixtrans-70.6-42.6-177.2-76.8-106.3000110.9L583 Y587 I606 K614 A678 N681 L705L583-N610 HydrophobicContact CD1-CB 4.21Å; L583-N610 WeakPolarHBondContact CD2-OD1 3.45Å; Y587-N610 PolarHBondContact OH-ND2 3.05Å; I606-N610 PolarHBondContact O-N 3.16Å; I606-N610 VanDerWaalsContact O-N 3.1Å; I606-N610 PolarHBondContact O-ND2 3.24Å; N610-K614 PolarHBondContact O-N 3.14Å; N610-A678 WeakPolarHBondContact OD1-CA 3.43Å; N610-N681 PolarHBondContact OD1-ND2 2.71Å; N610-L705 HydrophobicContact CB-CD1 3.49Å; N610-L705 VanDerWaalsContact CB-CD1 3.49Å; N610-L705 HydrophobicContact CB-CG 4.39Å
611G94.6Very high94.5Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-68.5-47.3178.100000112.4L607 L613 K614 I615 W706L607-G611 PolarHBondContact O-N 3.08Å; G611-L613 VanDerWaalsContact C-N 3.27Å; G611-L613 PolarHBondContact O-N 3.09Å; G611-K614 PolarHBondContact O-N 3.47Å; G611-K614 VanDerWaalsContact O-N 3.16Å; G611-I615 WeakPolarHBondContact O-CB 3.49Å; G611-I615 VanDerWaalsContact O-CG1 3.26Å; G611-I615 WeakPolarHBondContact O-CG1 3.35Å; G611-I615 PolarHBondContact O-N 3.05Å; G611-W706 VanDerWaalsContact CA-CD1 3.49Å
612G96.8Very high94.6Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-57.4-40176.700000112.3A543 A608 M616A543-G612 WeakPolarHBondContact CB-O 3.25Å; A608-G612 WeakPolarHBondContact O-CA 3.42Å; A608-G612 PolarHBondContact O-N 3.46Å; G612-M616 VanDerWaalsContact O-CB 3.25Å; G612-M616 WeakPolarHBondContact O-CB 3.38Å; G612-M616 PolarHBondContact O-N 3.27Å
613L97Very high94.4Very high1 Ų113.3 Ų13.31%0.0056%0.061CC..Hα-helixtrans-61.1-51.5174.7-173.7154.6000112D609 G611 I615 M616 Y617 F643 L646 A678 L679 T682D609-L613 VanDerWaalsContact O-CB 3.29Å; D609-L613 WeakPolarHBondContact O-CB 3.45Å; D609-L613 PolarHBondContact O-N 3.19Å; D609-L613 VanDerWaalsContact O-N 3.08Å; G611-L613 VanDerWaalsContact C-N 3.27Å; G611-L613 PolarHBondContact O-N 3.09Å; L613-I615 PolarHBondContact O-N 3.3Å; L613-M616 PolarHBondContact O-N 2.87Å; L613-Y617 WeakPolarHBondContact O-CB 3.41Å; L613-Y617 PolarHBondContact O-N 2.89Å; L613-F643 HydrophobicContact CD2-CE1 4.31Å; L613-L646 HydrophobicContact CB-CD1 4.29Å; L613-L646 HydrophobicContact CD1-CD1 4.06Å; L613-L646 HydrophobicContact CD1-CD2 3.73Å; L613-L646 HydrophobicContact CG-CD1 3.74Å; L613-L646 HydrophobicContact CG-CD2 4.33Å; L613-A678 HydrophobicContact CD1-CB 3.73Å; L613-L679 HydrophobicContact CD1-CD2 3.62Å; L613-L679 HydrophobicContact CD1-CG 4.09Å; L613-T682 HydrophobicContact CD2-CG2 4.06Å; L613-T682 WeakPolarHBondContact CD2-OG1 3.33Å
614K95.6Very high93.8Very high39 Ų3913.3 Ų13.317%0.176%0.062CC..Hα-helixtrans-62.6-45-178.7-178.354.1171.2163.10111.8N610 G611 Y617 N618 E684 W706N610-K614 PolarHBondContact O-N 3.14Å; G611-K614 PolarHBondContact O-N 3.47Å; G611-K614 VanDerWaalsContact O-N 3.16Å; K614-Y617 PolarHBondContact O-N 3.34Å; K614-N618 PolarHBondContact NZ-OD1 3.04Å; K614-N618 VanDerWaalsContact O-CG 3.23Å; K614-N618 PolarHBondContact O-N 3.37Å; K614-N618 PolarHBondContact O-OD1 2.62Å; K614-E684 IonicContact NZ-OE1 3.79Å; K614-E684 PolarHBondContact NZ-OE1 3.02Å; K614-E684 IonicContact NZ-OE2 3.15Å; K614-W706 HydrophobicContact CG-CB 4.29Å; K614-W706 WeakPolarHBondContact CG-O 3.27Å
615I97.2Very high93Very high0 Ų017.6 Ų17.60%09%0.085CC..Hα-helixtrans-61.5-46.3176.9-67.9-53.1000111.3V406 I410 S413 A543 M547 G611 L613 N618 T619V406-I615 HydrophobicContact CG1-CG2 3.91Å; I410-I615 HydrophobicContact CD1-CG2 4.28Å; I410-I615 HydrophobicContact CG1-CB 4.4Å; I410-I615 HydrophobicContact CG1-CD1 4.08Å; I410-I615 HydrophobicContact CG1-CG1 3.97Å; I410-I615 HydrophobicContact CG1-CG2 3.55Å; S413-I615 WeakPolarHBondContact OG-CD1 3.38Å; A543-I615 HydrophobicContact CB-CB 4.18Å; A543-I615 HydrophobicContact CB-CG2 3.9Å; M547-I615 HydrophobicContact CE-CG1 3.98Å; M547-I615 HydrophobicContact SD-CG1 4.35Å; G611-I615 WeakPolarHBondContact O-CB 3.49Å; G611-I615 VanDerWaalsContact O-CG1 3.26Å; G611-I615 WeakPolarHBondContact O-CG1 3.35Å; G611-I615 PolarHBondContact O-N 3.05Å; L613-I615 PolarHBondContact O-N 3.3Å; I615-N618 PolarHBondContact O-N 3.2Å; I615-T619 WeakPolarHBondContact O-CB 3.24Å; I615-T619 PolarHBondContact O-N 3.45Å; I615-T619 PolarHBondContact O-OG1 2.76Å
616M97.4Very high91.7Very high0 Ų025 Ų250%011%0.112CC..Hα-helixtrans-69.6-36.6-178.6-170.458.1-151.700112L402 V406 Y535 G539 W540 A543 G612 L613 T619 Y620 F642L402-M616 HydrophobicContact CD1-CE 3.97Å; L402-M616 HydrophobicContact CD1-SD 4.33Å; V406-M616 HydrophobicContact CG2-SD 3.91Å; Y535-M616 HydrophobicContact CD2-CE 4.01Å; Y535-M616 HydrophobicContact CE2-CE 4.1Å; G539-M616 WeakPolarHBondContact CA-SD 3.48Å; W540-M616 HydrophobicContact CB-CB 4.36Å; W540-M616 HydrophobicContact CB-CG 4.29Å; A543-M616 HydrophobicContact CB-CB 4.23Å; G612-M616 VanDerWaalsContact O-CB 3.25Å; G612-M616 WeakPolarHBondContact O-CB 3.38Å; G612-M616 PolarHBondContact O-N 3.27Å; L613-M616 PolarHBondContact O-N 2.87Å; M616-T619 WeakPolarHBondContact O-CB 3.27Å; M616-T619 PolarHBondContact O-N 3.46Å; M616-T619 HydrophobicContact SD-CG2 4.49Å; M616-Y620 WeakPolarHBondContact O-CB 3.31Å; M616-Y620 PolarHBondContact O-N 3.48Å; M616-F642 HydrophobicContact CB-CZ 4.38Å; M616-F642 HydrophobicContact CG-CE2 4.06Å; M616-F642 HydrophobicContact CG-CZ 4.35Å
617Y96.5Very high90.3Very high17 Ų1729.8 Ų29.87%0.06713%0.134CC..Hα-helixtrans-60.5-48.1172.8175.6-101.1000111.5L613 K614 T619 Y620 R621 D639 F642 F643 E684L613-Y617 WeakPolarHBondContact O-CB 3.41Å; L613-Y617 PolarHBondContact O-N 2.89Å; K614-Y617 PolarHBondContact O-N 3.34Å; Y617-T619 VanDerWaalsContact C-N 3.27Å; Y617-T619 PolarHBondContact O-N 2.98Å; Y617-Y620 PolarHBondContact O-N 3.48Å; Y617-R621 HydrophobicContact CD1-CG 4.28Å; Y617-R621 HydrophobicContact CD2-CG 4.33Å; Y617-R621 HydrophobicContact CE1-CG 3.78Å; Y617-R621 HydrophobicContact CE2-CG 3.86Å; Y617-R621 WeakPolarHBondContact O-CG 3.21Å; Y617-R621 PolarHBondContact O-N 3.14Å; Y617-D639 HydrophobicContact CE2-CB 4.38Å; Y617-D639 PolarHBondContact OH-OD2 2.8Å; Y617-F642 VanDerWaalsContact CA-CZ 3.4Å; Y617-F642 AromaticContact CD2-CD1 3.63Å; Y617-F642 HydrophobicContact CD2-CD1 3.63Å; Y617-F642 AromaticContact CD2-CE1 3.74Å; Y617-F642 HydrophobicContact CD2-CE1 3.74Å; Y617-F642 HydrophobicContact CD2-CG 4.21Å; Y617-F642 HydrophobicContact CD2-CZ 4.37Å; Y617-F642 HydrophobicContact CE2-CD1 4.49Å; Y617-F642 HydrophobicContact CG-CD1 4.49Å; Y617-F642 HydrophobicContact CG-CE1 4.16Å; Y617-F643 HydrophobicContact CD2-CE1 4.07Å; Y617-F643 HydrophobicContact CD2-CE2 4.36Å; Y617-F643 AromaticContact CD2-CZ 3.66Å; Y617-F643 HydrophobicContact CD2-CZ 3.66Å; Y617-F643 HydrophobicContact CE2-CE2 4.06Å; Y617-F643 AromaticContact CE2-CZ 3.71Å; Y617-F643 HydrophobicContact CE2-CZ 3.71Å; Y617-F643 HydrophobicContact CG-CZ 4.35Å; Y617-E684 HydrophobicContact CD1-CG 4.45Å; Y617-E684 HydrophobicContact CE1-CB 3.73Å; Y617-E684 HydrophobicContact CE1-CG 3.59Å; Y617-E684 HydrophobicContact CE2-CB 4.34Å
618N95.4Very high89Confident33 Ų3339.3 Ų39.318%0.17617%0.17CC..Hα-helixtrans-60-39.8176.8-69.3-9.1000111.3K614 I615 K622K614-N618 PolarHBondContact NZ-OD1 3.04Å; K614-N618 VanDerWaalsContact O-CG 3.23Å; K614-N618 PolarHBondContact O-N 3.37Å; K614-N618 PolarHBondContact O-OD1 2.62Å; I615-N618 PolarHBondContact O-N 3.2Å; N618-K622 VanDerWaalsContact O-CG 3.29Å; N618-K622 WeakPolarHBondContact O-CG 3.27Å; N618-K622 PolarHBondContact O-N 3.41Å; N618-K622 VanDerWaalsContact O-N 3.14Å
619T96.1Very high87.4Confident3 Ų341 Ų412%0.01818%0.18CC..Hα-helixtrans-63.9-47.7176.5-55.50000111.4E405 V406 S409 I615 M616 Y617 R621 K622 S623E405-T619 HydrophobicContact CB-CG2 3.75Å; V406-T619 HydrophobicContact CG2-CG2 4.18Å; S409-T619 WeakPolarHBondContact CB-OG1 3.39Å; S409-T619 PolarHBondContact OG-OG1 3.48Å; I615-T619 WeakPolarHBondContact O-CB 3.24Å; I615-T619 PolarHBondContact O-N 3.45Å; I615-T619 PolarHBondContact O-OG1 2.76Å; M616-T619 WeakPolarHBondContact O-CB 3.27Å; M616-T619 PolarHBondContact O-N 3.46Å; M616-T619 HydrophobicContact SD-CG2 4.49Å; Y617-T619 VanDerWaalsContact C-N 3.27Å; Y617-T619 PolarHBondContact O-N 2.98Å; T619-R621 PolarHBondContact O-N 3.18Å; T619-K622 PolarHBondContact O-N 2.83Å; T619-S623 PolarHBondContact O-N 3.3Å; T619-S623 VanDerWaalsContact O-N 3.13Å
620Y95Very high86.1Confident3 Ų348.8 Ų48.81%0.01222%0.216CC..Hα-helixtrans-58.4-48.5177.1178-94.3000112.1P532 I536 M616 Y617 K622 S623 Q624 S638 F642P532-Y620 HydrophobicContact CB-CD2 3.9Å; P532-Y620 HydrophobicContact CB-CE2 4.18Å; P532-Y620 HydrophobicContact CG-CD2 3.57Å; P532-Y620 HydrophobicContact CG-CE2 3.54Å; P532-Y620 HydrophobicContact CG-CG 4.42Å; I536-Y620 HydrophobicContact CD1-CD2 4.25Å; I536-Y620 HydrophobicContact CD1-CE2 3.83Å; I536-Y620 HydrophobicContact CG1-CD2 4Å; I536-Y620 HydrophobicContact CG1-CE2 4.05Å; M616-Y620 WeakPolarHBondContact O-CB 3.31Å; M616-Y620 PolarHBondContact O-N 3.48Å; Y617-Y620 PolarHBondContact O-N 3.48Å; Y620-K622 VanDerWaalsContact C-N 3.34Å; Y620-K622 PolarHBondContact O-N 3.19Å; Y620-S623 PolarHBondContact O-N 2.94Å; Y620-Q624 HydrophobicContact CD1-CG 4.16Å; Y620-Q624 HydrophobicContact CE1-CG 3.78Å; Y620-Q624 WeakPolarHBondContact O-CG 3.31Å; Y620-Q624 PolarHBondContact O-N 3.25Å; Y620-Q624 PolarHBondContact OH-NE2 3Å; Y620-S638 WeakPolarHBondContact CE1-OG 3.37Å; Y620-S638 PolarHBondContact OH-OG 3.23Å; Y620-F642 HydrophobicContact CD1-CB 4.07Å; Y620-F642 AromaticContact CD1-CD2 3.86Å; Y620-F642 HydrophobicContact CD1-CD2 3.86Å; Y620-F642 HydrophobicContact CD1-CG 4.18Å; Y620-F642 AromaticContact CD2-CD2 3.9Å; Y620-F642 HydrophobicContact CD2-CD2 3.9Å; Y620-F642 HydrophobicContact CE1-CB 3.91Å; Y620-F642 HydrophobicContact CE1-CD2 4.43Å; Y620-F642 HydrophobicContact CE2-CD2 4.46Å; Y620-F642 AromaticContact CG-CD2 3.57Å; Y620-F642 HydrophobicContact CG-CD2 3.57Å; Y620-F642 HydrophobicContact CG-CE2 4.21Å; Y620-F642 HydrophobicContact CG-CG 4.35Å
621R92.2Very high85.6Confident38 Ų3853 Ų5314%0.14324%0.239CC..Hα-helixtrans-60.4-39.7178.1-71.6-63.5-56.9167.54.4112.9Y617 T619 S623 Q624 N625 D639Y617-R621 HydrophobicContact CD1-CG 4.28Å; Y617-R621 HydrophobicContact CD2-CG 4.33Å; Y617-R621 HydrophobicContact CE1-CG 3.78Å; Y617-R621 HydrophobicContact CE2-CG 3.86Å; Y617-R621 WeakPolarHBondContact O-CG 3.21Å; Y617-R621 PolarHBondContact O-N 3.14Å; T619-R621 PolarHBondContact O-N 3.18Å; R621-S623 VanDerWaalsContact C-N 3.34Å; R621-Q624 PolarHBondContact O-N 2.91Å; R621-N625 VanDerWaalsContact O-CG 3.29Å; R621-N625 PolarHBondContact O-N 3.36Å; R621-D639 WeakPolarHBondContact CD-OD1 3.5Å; R621-D639 IonicContact CZ-OD1 3.92Å; R621-D639 IonicContact NE-OD1 2.64Å; R621-D639 IonicContact NH1-OD1 2.6Å; R621-D639 PolarHBondContact NH1-OD1 2.79Å; R621-D639 IonicContact NH1-OD2 3.65Å
622K91.5Very high85.1Confident64 Ų6457.4 Ų57.428%0.27827%0.266SS..Hα-helixtrans-64.3-40176.5-74.3170.9-176.6174.10112S409 E412 N618 T619 Y620 R626S409-K622 PolarHBondContact OG-NZ 3.36Å; S409-K622 VanDerWaalsContact OG-NZ 3.16Å; E412-K622 WeakPolarHBondContact OE2-CE 3.24Å; E412-K622 IonicContact OE2-NZ 2.99Å; E412-K622 PolarHBondContact OE2-NZ 3.47Å; N618-K622 VanDerWaalsContact O-CG 3.29Å; N618-K622 WeakPolarHBondContact O-CG 3.27Å; N618-K622 PolarHBondContact O-N 3.41Å; N618-K622 VanDerWaalsContact O-N 3.14Å; T619-K622 PolarHBondContact O-N 2.83Å; Y620-K622 VanDerWaalsContact C-N 3.34Å; Y620-K622 PolarHBondContact O-N 3.19Å; K622-R626 WeakPolarHBondContact O-CG 3.11Å; K622-R626 PolarHBondContact O-N 2.98Å
623S86.9Confident84.6Confident12 Ų1261.1 Ų61.18%0.08429%0.292CS..Hα-helixtrans-65-44.8175.6-175.70000111.6T619 Y620 R621 N625 R626T619-S623 PolarHBondContact O-N 3.3Å; T619-S623 VanDerWaalsContact O-N 3.13Å; Y620-S623 PolarHBondContact O-N 2.94Å; R621-S623 VanDerWaalsContact C-N 3.34Å; S623-N625 PolarHBondContact O-N 3.48Å; S623-R626 WeakPolarHBondContact O-CB 3.47Å; S623-R626 PolarHBondContact O-N 3.26Å
624Q78.9Confident84.2Confident17 Ų1766.2 Ų66.28%0.07932%0.315CS..Hα-helixtrans-61.2-41.7175.7-72.4-66.9-21.900113.7P532 Y620 R621 R626 Q627 R628P532-Q624 VanDerWaalsContact CD-NE2 3.26Å; P532-Q624 HydrophobicContact CG-CG 4.13Å; Y620-Q624 HydrophobicContact CD1-CG 4.16Å; Y620-Q624 HydrophobicContact CE1-CG 3.78Å; Y620-Q624 WeakPolarHBondContact O-CG 3.31Å; Y620-Q624 PolarHBondContact O-N 3.25Å; Y620-Q624 PolarHBondContact OH-NE2 3Å; R621-Q624 PolarHBondContact O-N 2.91Å; Q624-R626 PolarHBondContact O-N 2.85Å; Q624-Q627 WeakPolarHBondContact O-CA 3.18Å; Q624-Q627 WeakPolarHBondContact O-CB 3.26Å; Q624-Q627 PolarHBondContact O-N 2.94Å; Q624-R628 PolarHBondContact O-N 3.2Å
625N74.7Confident83.8Confident98 Ų9866.4 Ų66.452%0.52432%0.318SS..Hα-helixtrans-62.1-27.4177.8-73.8-12.9000112.5R621 S623 Q627R621-N625 VanDerWaalsContact O-CG 3.29Å; R621-N625 PolarHBondContact O-N 3.36Å; S623-N625 PolarHBondContact O-N 3.48Å; N625-Q627 VanDerWaalsContact C-N 3.29Å
626R67.8Low83.5Confident179 Ų17968.5 Ų68.568%0.67533%0.329SS*.Hα-helixtrans-70.8-25.6172.9-63.8170.7179.5172.4-0.3112.2E405 K622 S623 Q624E405-R626 IonicContact OE1-NH1 3.44Å; K622-R626 WeakPolarHBondContact O-CG 3.11Å; K622-R626 PolarHBondContact O-N 2.98Å; S623-R626 WeakPolarHBondContact O-CB 3.47Å; S623-R626 PolarHBondContact O-N 3.26Å; Q624-R626 PolarHBondContact O-N 2.85Å
627Q65Low83.3Confident105 Ų10570.7 Ų70.749%0.49135%0.347SS..THydrogen-bonded Turntrans-87.23.1179.1-65.1-178.7-8.100114.1S531 Q624 N625S531-Q627 PolarHBondContact O-NE2 3.45Å; Q624-Q627 WeakPolarHBondContact O-CA 3.18Å; Q624-Q627 WeakPolarHBondContact O-CB 3.26Å; Q624-Q627 PolarHBondContact O-N 2.94Å; N625-Q627 VanDerWaalsContact C-N 3.29Å
628R64.4Low83.1Confident202 Ų20270.6 Ų70.676%0.76235%0.349SS*.THydrogen-bonded Turntrans60.848.5176.5-59.4-179.5174.9169.9-0.9115.3Q624 Q630Q624-R628 PolarHBondContact O-N 3.2Å; R628-Q630 WeakPolarHBondContact O-CG 3.33Å; R628-Q630 PolarHBondContact O-N 3.16Å
629V63.1Low83Confident36 Ų3669.4 Ų69.422%0.21834%0.343CS..  trans-66.6120.8162.3-175.80000108.8E634 I635V629-E634 HydrophobicContact CG1-CB 3.49Å; V629-E634 VanDerWaalsContact CG1-CB 3.49Å; V629-I635 HydrophobicContact CG1-CG1 3.83Å
630Q68.5Low83Confident166 Ų16673.3 Ų73.378%0.77636%0.357SS*.  trans-110-25-167.7-63.7-160.20.500115.3R628 E634R628-Q630 WeakPolarHBondContact O-CG 3.33Å; R628-Q630 PolarHBondContact O-N 3.16Å; Q630-E634 PolarHBondContact N-OE2 3.07Å
631N83.2Confident83Confident100 Ų10076.3 Ų76.354%0.53537%0.373SS..SBendtrans-109.8146.4-177.1-1660.7000112.7S633 E634 I635N631-S633 PolarHBondContact O-N 3.46Å; N631-E634 PolarHBondContact O-N 3.22Å; N631-E634 VanDerWaalsContact O-N 3.11Å; N631-I635 PolarHBondContact O-N 3.38Å; N631-I635 VanDerWaalsContact O-N 3.15Å
632T84.7Confident83.2Confident93 Ų9374.5 Ų74.557%0.57137%0.366SS*.Hα-helixtrans-52.5-37.6178.9-53.20000113.1I635 L636T632-I635 WeakPolarHBondContact O-CB 3.38Å; T632-I635 PolarHBondContact O-N 3.17Å; T632-L636 HydrophobicContact CG2-CD1 4.14Å; T632-L636 HydrophobicContact CG2-CG 4.46Å; T632-L636 WeakPolarHBondContact O-CG 3.23Å; T632-L636 PolarHBondContact O-N 3.19Å
633S86.4Confident83.6Confident78 Ų7871.4 Ų71.455%0.54535%0.353SS..Hα-helixtrans-63.6-42.7179-173.40000112.7N631 L636 A637N631-S633 PolarHBondContact O-N 3.46Å; S633-L636 PolarHBondContact O-N 3.32Å; S633-A637 WeakPolarHBondContact O-CB 3.3Å; S633-A637 PolarHBondContact O-N 2.69Å
634E87.5Confident84Confident107 Ų10772.5 Ų72.550%0.536%0.357SS..Hα-helixtrans-68.1-40.1178.7-61.6172.9162.400110.8V629 Q630 N631 A637 S638V629-E634 HydrophobicContact CG1-CB 3.49Å; V629-E634 VanDerWaalsContact CG1-CB 3.49Å; Q630-E634 PolarHBondContact N-OE2 3.07Å; N631-E634 PolarHBondContact O-N 3.22Å; N631-E634 VanDerWaalsContact O-N 3.11Å; E634-A637 PolarHBondContact O-N 3.11Å; E634-S638 WeakPolarHBondContact O-CB 3.38Å; E634-S638 PolarHBondContact O-N 3.15Å
635I88.1Confident84.9Confident43 Ų4372.6 Ų72.622%0.22136%0.357CS..Hα-helixtrans-56.7-51.4173.2-74.7171.3000110.7V629 N631 T632 A637 S638 D639V629-I635 HydrophobicContact CG1-CG1 3.83Å; N631-I635 PolarHBondContact O-N 3.38Å; N631-I635 VanDerWaalsContact O-N 3.15Å; T632-I635 WeakPolarHBondContact O-CB 3.38Å; T632-I635 PolarHBondContact O-N 3.17Å; I635-A637 VanDerWaalsContact C-N 3.31Å; I635-A637 PolarHBondContact O-N 2.92Å; I635-S638 PolarHBondContact O-N 3.39Å; I635-D639 WeakPolarHBondContact O-CB 3.36Å; I635-D639 VanDerWaalsContact O-CG 3.32Å; I635-D639 PolarHBondContact O-N 3.42Å
636L91.4Very high86Confident45 Ų4568 Ų6824%0.23633%0.333CS..Hα-helixtrans-66.4-34.4-179.7-66.2171.2000111.9T632 S633 R640 I687T632-L636 HydrophobicContact CG2-CD1 4.14Å; T632-L636 HydrophobicContact CG2-CG 4.46Å; T632-L636 WeakPolarHBondContact O-CG 3.23Å; T632-L636 PolarHBondContact O-N 3.19Å; S633-L636 PolarHBondContact O-N 3.32Å; L636-R640 WeakPolarHBondContact O-CB 3.49Å; L636-R640 VanDerWaalsContact O-CG 3.29Å; L636-R640 WeakPolarHBondContact O-CG 3.49Å; L636-R640 PolarHBondContact O-N 3.21Å; L636-I687 HydrophobicContact CD2-CG2 3.92Å
637A91.8Very high87.4Confident45 Ų4559.5 Ų59.537%0.37230%0.301SS..Hα-helixtrans-65.5-43.6174.900000112.1S633 E634 I635 R640 L641S633-A637 WeakPolarHBondContact O-CB 3.3Å; S633-A637 PolarHBondContact O-N 2.69Å; E634-A637 PolarHBondContact O-N 3.11Å; I635-A637 VanDerWaalsContact C-N 3.31Å; I635-A637 PolarHBondContact O-N 2.92Å; A637-R640 PolarHBondContact O-N 2.96Å; A637-L641 PolarHBondContact O-N 3.04Å
638S92.2Very high88.9Confident16 Ų1657.8 Ų57.811%0.11229%0.293CS..Hα-helixtrans-62.6-43.9175174.80000111.7Y620 E634 I635 L641 F642Y620-S638 WeakPolarHBondContact CE1-OG 3.37Å; Y620-S638 PolarHBondContact OH-OG 3.23Å; E634-S638 WeakPolarHBondContact O-CB 3.38Å; E634-S638 PolarHBondContact O-N 3.15Å; I635-S638 PolarHBondContact O-N 3.39Å; S638-L641 WeakPolarHBondContact O-CB 3.43Å; S638-L641 PolarHBondContact O-N 3.08Å; S638-F642 PolarHBondContact O-N 2.93Å
639D94.7Very high90.5Very high8 Ų848.2 Ų48.24%0.04326%0.256CS..Hα-helixtrans-66.4-40.5178.3-71.810.2000111.7Y617 R621 I635 L641 F642 F643 A688Y617-D639 HydrophobicContact CE2-CB 4.38Å; Y617-D639 PolarHBondContact OH-OD2 2.8Å; R621-D639 WeakPolarHBondContact CD-OD1 3.5Å; R621-D639 IonicContact CZ-OD1 3.92Å; R621-D639 IonicContact NE-OD1 2.64Å; R621-D639 IonicContact NH1-OD1 2.6Å; R621-D639 PolarHBondContact NH1-OD1 2.79Å; R621-D639 IonicContact NH1-OD2 3.65Å; I635-D639 WeakPolarHBondContact O-CB 3.36Å; I635-D639 VanDerWaalsContact O-CG 3.32Å; I635-D639 PolarHBondContact O-N 3.42Å; D639-L641 VanDerWaalsContact C-N 3.33Å; D639-L641 PolarHBondContact O-N 3.3Å; D639-F642 WeakPolarHBondContact O-CB 3.25Å; D639-F642 PolarHBondContact O-N 3.48Å; D639-F643 HydrophobicContact CB-CE2 4.32Å; D639-F643 WeakPolarHBondContact O-CD2 3.45Å; D639-F643 PolarHBondContact O-N 3.24Å; D639-F643 VanDerWaalsContact O-N 3.1Å; D639-A688 HydrophobicContact CB-CB 3.83Å
640R96.1Very high92.1Very high85 Ų8546.8 Ų46.832%0.32125%0.248SC..Hα-helixtrans-58.1-45.9172.1-76.9-171.6-65.6-88.21.3111.5L636 A637 F642 F643 L644 A688 Y689L636-R640 WeakPolarHBondContact O-CB 3.49Å; L636-R640 VanDerWaalsContact O-CG 3.29Å; L636-R640 WeakPolarHBondContact O-CG 3.49Å; L636-R640 PolarHBondContact O-N 3.21Å; A637-R640 PolarHBondContact O-N 2.96Å; R640-F642 VanDerWaalsContact C-N 3.33Å; R640-F642 PolarHBondContact O-N 3.4Å; R640-F643 PolarHBondContact O-N 2.95Å; R640-L644 WeakPolarHBondContact O-CB 3.46Å; R640-L644 PolarHBondContact O-N 2.9Å; R640-A688 WeakPolarHBondContact CD-O 3.11Å; R640-A688 HydrophobicContact CG-CB 4.1Å; R640-A688 WeakPolarHBondContact CG-O 3.44Å; R640-A688 PolarHBondContact NH1-O 2.9Å; R640-Y689 HydrophobicContact CB-CE1 4.39Å; R640-Y689 HydrophobicContact CB-CE2 3.97Å; R640-Y689 HydrophobicContact CG-CD1 4.25Å; R640-Y689 HydrophobicContact CG-CD2 4.01Å; R640-Y689 HydrophobicContact CG-CE1 3.99Å; R640-Y689 HydrophobicContact CG-CE2 3.73Å; R640-Y689 HydrophobicContact CG-CG 4.26Å; R640-Y689 PolarHBondContact O-OH 3.29Å
641L94.8Very high93.5Very high65 Ų6538.9 Ų38.934%0.3421%0.211SC..Hα-helixtrans-61.7-41.9178.2-178.760.8000111.9T533 A637 S638 D639 L644 K645T533-L641 HydrophobicContact CG2-CD2 3.73Å; T533-L641 HydrophobicContact CG2-CG 4.15Å; A637-L641 PolarHBondContact O-N 3.04Å; S638-L641 WeakPolarHBondContact O-CB 3.43Å; S638-L641 PolarHBondContact O-N 3.08Å; D639-L641 VanDerWaalsContact C-N 3.33Å; D639-L641 PolarHBondContact O-N 3.3Å; L641-L644 PolarHBondContact O-N 3.39Å; L641-K645 HydrophobicContact CD1-CD 3.93Å; L641-K645 HydrophobicContact CD1-CG 4.2Å; L641-K645 HydrophobicContact CG-CD 4.12Å; L641-K645 WeakPolarHBondContact O-CB 3.43Å; L641-K645 PolarHBondContact O-N 2.82Å
642F96.7Very high94.1Very high0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-55.2-54.4175172.1-90.1000111.8I536 M616 Y617 Y620 S638 D639 R640 L644 K645 L646I536-F642 HydrophobicContact CD1-CB 4.5Å; I536-F642 HydrophobicContact CD1-CD2 4.25Å; I536-F642 HydrophobicContact CG1-CD2 4.01Å; I536-F642 HydrophobicContact CG1-CE2 4.5Å; I536-F642 HydrophobicContact CG2-CD2 3.99Å; I536-F642 HydrophobicContact CG2-CE2 4.03Å; M616-F642 HydrophobicContact CB-CZ 4.38Å; M616-F642 HydrophobicContact CG-CE2 4.06Å; M616-F642 HydrophobicContact CG-CZ 4.35Å; Y617-F642 VanDerWaalsContact CA-CZ 3.4Å; Y617-F642 AromaticContact CD2-CD1 3.63Å; Y617-F642 HydrophobicContact CD2-CD1 3.63Å; Y617-F642 AromaticContact CD2-CE1 3.74Å; Y617-F642 HydrophobicContact CD2-CE1 3.74Å; Y617-F642 HydrophobicContact CD2-CG 4.21Å; Y617-F642 HydrophobicContact CD2-CZ 4.37Å; Y617-F642 HydrophobicContact CE2-CD1 4.49Å; Y617-F642 HydrophobicContact CG-CD1 4.49Å; Y617-F642 HydrophobicContact CG-CE1 4.16Å; Y620-F642 HydrophobicContact CD1-CB 4.07Å; Y620-F642 AromaticContact CD1-CD2 3.86Å; Y620-F642 HydrophobicContact CD1-CD2 3.86Å; Y620-F642 HydrophobicContact CD1-CG 4.18Å; Y620-F642 AromaticContact CD2-CD2 3.9Å; Y620-F642 HydrophobicContact CD2-CD2 3.9Å; Y620-F642 HydrophobicContact CE1-CB 3.91Å; Y620-F642 HydrophobicContact CE1-CD2 4.43Å; Y620-F642 HydrophobicContact CE2-CD2 4.46Å; Y620-F642 AromaticContact CG-CD2 3.57Å; Y620-F642 HydrophobicContact CG-CD2 3.57Å; Y620-F642 HydrophobicContact CG-CE2 4.21Å; Y620-F642 HydrophobicContact CG-CG 4.35Å; S638-F642 PolarHBondContact O-N 2.93Å; D639-F642 WeakPolarHBondContact O-CB 3.25Å; D639-F642 PolarHBondContact O-N 3.48Å; R640-F642 VanDerWaalsContact C-N 3.33Å; R640-F642 PolarHBondContact O-N 3.4Å; F642-L644 PolarHBondContact O-N 3.5Å; F642-K645 PolarHBondContact O-N 3.4Å; F642-L646 HydrophobicContact CE1-CD1 3.92Å; F642-L646 HydrophobicContact CZ-CD1 3.71Å; F642-L646 WeakPolarHBondContact O-CB 3.37Å; F642-L646 PolarHBondContact O-N 3.05Å
643F98.1Very high94.5Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-67.7-36.3-176.7-65.2-58.5000112.5F54 L613 Y617 D639 R640 A647 L679 T682 E684 F685 A688 Y689F54-F643 HydrophobicContact CE1-CB 4.39Å; F54-F643 HydrophobicContact CZ-CB 4.37Å; L613-F643 HydrophobicContact CD2-CE1 4.31Å; Y617-F643 HydrophobicContact CD2-CE1 4.07Å; Y617-F643 HydrophobicContact CD2-CE2 4.36Å; Y617-F643 AromaticContact CD2-CZ 3.66Å; Y617-F643 HydrophobicContact CD2-CZ 3.66Å; Y617-F643 HydrophobicContact CE2-CE2 4.06Å; Y617-F643 AromaticContact CE2-CZ 3.71Å; Y617-F643 HydrophobicContact CE2-CZ 3.71Å; Y617-F643 HydrophobicContact CG-CZ 4.35Å; D639-F643 HydrophobicContact CB-CE2 4.32Å; D639-F643 WeakPolarHBondContact O-CD2 3.45Å; D639-F643 PolarHBondContact O-N 3.24Å; D639-F643 VanDerWaalsContact O-N 3.1Å; R640-F643 PolarHBondContact O-N 2.95Å; F643-A647 WeakPolarHBondContact O-CB 3.18Å; F643-A647 PolarHBondContact O-N 3.23Å; F643-L679 HydrophobicContact CB-CD2 4.19Å; F643-L679 HydrophobicContact CD1-CD2 3.33Å; F643-L679 HydrophobicContact CE1-CD2 4.01Å; F643-L679 HydrophobicContact CG-CD2 4.04Å; F643-T682 HydrophobicContact CE1-CG2 3.97Å; F643-T682 HydrophobicContact CZ-CG2 4.02Å; F643-E684 HydrophobicContact CZ-CB 4.18Å; F643-F685 HydrophobicContact CB-CD2 3.88Å; F643-F685 HydrophobicContact CB-CE2 4.41Å; F643-F685 HydrophobicContact CD1-CB 4.21Å; F643-F685 HydrophobicContact CD1-CD2 4.22Å; F643-F685 HydrophobicContact CD2-CB 4.06Å; F643-F685 AromaticContact CD2-CD2 3.91Å; F643-F685 HydrophobicContact CD2-CD2 3.91Å; F643-F685 HydrophobicContact CD2-CG 4.49Å; F643-F685 HydrophobicContact CE1-CB 3.99Å; F643-F685 HydrophobicContact CE2-CB 3.86Å; F643-F685 HydrophobicContact CG-CB 4.25Å; F643-F685 AromaticContact CG-CD2 3.74Å; F643-F685 HydrophobicContact CG-CD2 3.74Å; F643-F685 HydrophobicContact CG-CG 4.5Å; F643-F685 HydrophobicContact CZ-CB 3.82Å; F643-A688 HydrophobicContact CD2-CB 4.16Å; F643-A688 HydrophobicContact CE2-CB 4.08Å; F643-Y689 HydrophobicContact CB-CE2 4.18Å
644L97.2Very high94.7Very high34 Ų3432.8 Ų32.818%0.17816%0.16CC..Hα-helixtrans-59.3-50.5174.3177.660.6000111.3Y57 A58 R640 L641 F642 A647 Q648Y57-L644 HydrophobicContact CD1-CD1 4.48Å; Y57-L644 HydrophobicContact CE1-CD1 4.16Å; A58-L644 HydrophobicContact CB-CD1 3.8Å; R640-L644 WeakPolarHBondContact O-CB 3.46Å; R640-L644 PolarHBondContact O-N 2.9Å; L641-L644 PolarHBondContact O-N 3.39Å; F642-L644 PolarHBondContact O-N 3.5Å; L644-A647 PolarHBondContact O-N 2.87Å; L644-Q648 HydrophobicContact CD1-CG 4.39Å; L644-Q648 WeakPolarHBondContact O-CB 3.39Å; L644-Q648 VanDerWaalsContact O-CG 3.31Å; L644-Q648 WeakPolarHBondContact O-CG 3.37Å; L644-Q648 PolarHBondContact O-N 3.2Å
645K96.6Very high94.7Very high20 Ų2030.2 Ų30.29%0.08715%0.148CC..Hα-helixtrans-66.9-39.1-178.5-78.2178.4160.9-83.40113.3E529 T533 I536 L641 F642 Q648 T649E529-K645 VanDerWaalsContact OE1-CE 3.26Å; E529-K645 WeakPolarHBondContact OE1-CE 3.46Å; E529-K645 IonicContact OE1-NZ 3.11Å; E529-K645 PolarHBondContact OE1-NZ 3.45Å; E529-K645 WeakPolarHBondContact OE2-CE 3.42Å; E529-K645 IonicContact OE2-NZ 3.53Å; E529-K645 PolarHBondContact OE2-NZ 2.8Å; T533-K645 HydrophobicContact CG2-CD 3.42Å; T533-K645 VanDerWaalsContact CG2-CD 3.42Å; I536-K645 HydrophobicContact CB-CB 4.19Å; I536-K645 HydrophobicContact CD1-CB 4Å; I536-K645 HydrophobicContact CD1-CD 3.63Å; I536-K645 HydrophobicContact CD1-CG 4.42Å; I536-K645 HydrophobicContact CG2-CB 3.92Å; L641-K645 HydrophobicContact CD1-CD 3.93Å; L641-K645 HydrophobicContact CD1-CG 4.2Å; L641-K645 HydrophobicContact CG-CD 4.12Å; L641-K645 WeakPolarHBondContact O-CB 3.43Å; L641-K645 PolarHBondContact O-N 2.82Å; F642-K645 PolarHBondContact O-N 3.4Å; K645-Q648 PolarHBondContact O-N 2.96Å; K645-T649 PolarHBondContact O-N 2.99Å; K645-T649 PolarHBondContact O-OG1 2.94Å
646L97.6Very high94.6Very high1 Ų135.5 Ų35.51%0.00517%0.169CC..Hα-helixtrans-62.7-45.3173.7-173.4154.9000110.8I536 W540 L613 F642 Q648 T649 L650I536-L646 HydrophobicContact CG2-CB 4.05Å; W540-L646 HydrophobicContact CB-CD1 4.09Å; W540-L646 HydrophobicContact CB-CG 4.35Å; W540-L646 HydrophobicContact CG-CD1 3.88Å; W540-L646 HydrophobicContact CG-CG 4.06Å; L613-L646 HydrophobicContact CB-CD1 4.29Å; L613-L646 HydrophobicContact CD1-CD1 4.06Å; L613-L646 HydrophobicContact CD1-CD2 3.73Å; L613-L646 HydrophobicContact CG-CD1 3.74Å; L613-L646 HydrophobicContact CG-CD2 4.33Å; F642-L646 HydrophobicContact CE1-CD1 3.92Å; F642-L646 HydrophobicContact CZ-CD1 3.71Å; F642-L646 WeakPolarHBondContact O-CB 3.37Å; F642-L646 PolarHBondContact O-N 3.05Å; L646-Q648 VanDerWaalsContact C-N 3.29Å; L646-Q648 PolarHBondContact O-N 3.24Å; L646-T649 VanDerWaalsContact O-CB 3.32Å; L646-T649 WeakPolarHBondContact O-CB 3.45Å; L646-T649 PolarHBondContact O-N 2.91Å; L646-L650 HydrophobicContact CD2-CD1 4.44Å
647A98Very high94.3Very high0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-61.1-39.8175.300000111.8F54 A58 F643 L644 T649 L650 C651 V675 L679F54-A647 HydrophobicContact CD1-CB 3.9Å; F54-A647 HydrophobicContact CE1-CB 3.66Å; A58-A647 HydrophobicContact CB-CB 3.73Å; F643-A647 WeakPolarHBondContact O-CB 3.18Å; F643-A647 PolarHBondContact O-N 3.23Å; L644-A647 PolarHBondContact O-N 2.87Å; A647-T649 VanDerWaalsContact C-N 3.29Å; A647-T649 PolarHBondContact O-N 3.31Å; A647-L650 CarbonylContact O-C 3.56Å; A647-L650 PolarHBondContact O-N 3.44Å; A647-C651 PolarHBondContact O-N 2.85Å; A647-V675 HydrophobicContact CB-CG1 3.66Å; A647-V675 HydrophobicContact CB-CG2 4.37Å; A647-L679 HydrophobicContact CB-CD1 4.37Å
648Q97Very high94Very high70 Ų7037.2 Ų37.233%0.32717%0.174SC..Hα-helixtrans-63.5-34177.2-76.4172.9-24.700113.1T77 L644 K645 L646 L650 C651T77-Q648 WeakPolarHBondContact CG2-O 3.22Å; L644-Q648 HydrophobicContact CD1-CG 4.39Å; L644-Q648 WeakPolarHBondContact O-CB 3.39Å; L644-Q648 VanDerWaalsContact O-CG 3.31Å; L644-Q648 WeakPolarHBondContact O-CG 3.37Å; L644-Q648 PolarHBondContact O-N 3.2Å; K645-Q648 PolarHBondContact O-N 2.96Å; L646-Q648 VanDerWaalsContact C-N 3.29Å; L646-Q648 PolarHBondContact O-N 3.24Å; Q648-L650 PolarHBondContact O-N 3.33Å; Q648-C651 VanDerWaalsContact CA-SG 3.53Å; Q648-C651 PolarHBondContact O-N 2.87Å; Q648-C651 PolarHBondContact O-SG 2.94Å
649T97.4Very high93.6Very high0 Ų042 Ų420%019%0.189CC..Hα-helixtrans-60.4-25.3173.4-61.10000112.3T77 F524 G537 W540 K645 L646 A647T77-T649 WeakPolarHBondContact CB-O 3.45Å; T77-T649 WeakPolarHBondContact CG2-O 3.49Å; T77-T649 PolarHBondContact OG1-O 3.29Å; F524-T649 HydrophobicContact CD1-CG2 3.66Å; F524-T649 HydrophobicContact CE1-CG2 3.72Å; G537-T649 WeakPolarHBondContact CA-OG1 3.47Å; W540-T649 HydrophobicContact CE3-CG2 4.15Å; W540-T649 HydrophobicContact CZ3-CG2 4.46Å; K645-T649 PolarHBondContact O-N 2.99Å; K645-T649 PolarHBondContact O-OG1 2.94Å; L646-T649 VanDerWaalsContact O-CB 3.32Å; L646-T649 WeakPolarHBondContact O-CB 3.45Å; L646-T649 PolarHBondContact O-N 2.91Å; A647-T649 VanDerWaalsContact C-N 3.29Å; A647-T649 PolarHBondContact O-N 3.31Å
650L97.1Very high93.1Very high7 Ų745.2 Ų45.24%0.03721%0.212CC..THydrogen-bonded Turntrans-108.615.1-177-74.2174.3000113.4W540 L646 A647 Q648 G652 P671 R674 V675W540-L650 HydrophobicContact CH2-CD1 3.89Å; W540-L650 HydrophobicContact CH2-CD2 3.52Å; W540-L650 HydrophobicContact CH2-CG 3.99Å; W540-L650 HydrophobicContact CZ2-CD1 3.86Å; W540-L650 HydrophobicContact CZ2-CD2 4.33Å; W540-L650 HydrophobicContact CZ2-CG 4.45Å; W540-L650 HydrophobicContact CZ3-CD1 4.31Å; W540-L650 HydrophobicContact CZ3-CD2 3.71Å; W540-L650 HydrophobicContact CZ3-CG 4.04Å; L646-L650 HydrophobicContact CD2-CD1 4.44Å; A647-L650 CarbonylContact O-C 3.56Å; A647-L650 PolarHBondContact O-N 3.44Å; Q648-L650 PolarHBondContact O-N 3.33Å; L650-G652 PolarHBondContact O-N 2.95Å; L650-P671 WeakPolarHBondContact O-CB 3.47Å; L650-R674 HydrophobicContact CD1-CB 4.19Å; L650-V675 HydrophobicContact CB-CG2 3.49Å; L650-V675 VanDerWaalsContact CB-CG2 3.49Å; L650-V675 HydrophobicContact CD1-CG2 4.08Å; L650-V675 HydrophobicContact CG-CG2 4.46Å
651C97.8Very high92.5Very high0 Ų046 Ų460%022%0.216CC..  trans-63.4134.9173.6-62.50000111C59 W62 N76 T77 A647 Q648C59-C651 WeakPolarHBondContact CA-SG 3.49Å; C59-C651 HydrophobicContact CB-CB 3.76Å; C59-C651 WeakPolarHBondContact CB-SG 3.28Å; C59-C651 WeakPolarHBondContact SG-CA 3.44Å; C59-C651 WeakPolarHBondContact SG-CB 3.47Å; C59-C651 CovalentContact SG-SG 2.04Å; C59-C651 PolarHBondContact SG-SG 3.3Å; W62-C651 HydrophobicContact CB-CB 4.42Å; W62-C651 HydrophobicContact CD2-CB 3.52Å; W62-C651 HydrophobicContact CE3-CB 3.41Å; W62-C651 VanDerWaalsContact CE3-CB 3.41Å; W62-C651 HydrophobicContact CG-CB 3.97Å; W62-C651 HydrophobicContact CH2-CB 4.46Å; W62-C651 HydrophobicContact CZ3-CB 3.93Å; N76-C651 WeakPolarHBondContact CA-O 3.48Å; T77-C651 HydrophobicContact CG2-CB 4.27Å; T77-C651 PolarHBondContact N-O 3.37Å; A647-C651 PolarHBondContact O-N 2.85Å; Q648-C651 VanDerWaalsContact CA-SG 3.53Å; Q648-C651 PolarHBondContact O-N 2.87Å; Q648-C651 PolarHBondContact O-SG 2.94Å
652G95.8Very high92.1Very high3 Ų343.7 Ų43.73%0.03120%0.204CC..EExtended strand (participates in β ladder)trans172.8151.7176.400000115Y55 I75 L650 P671Y55-G652 PolarHBondContact OH-N 2.93Å; Y55-G652 PolarHBondContact OH-O 3.09Å; I75-G652 CarbonylContact O-C 3.6Å; I75-G652 WeakPolarHBondContact O-CA 3.32Å; L650-G652 PolarHBondContact O-N 2.95Å; G652-P671 WeakPolarHBondContact O-CB 3.44Å; G652-P671 WeakPolarHBondContact O-CG 3.33Å
653R92.7Very high91.5Very high128 Ų12846.7 Ų46.748%0.48322%0.217SC..EExtended strand (participates in β ladder)trans-134.5136-174.9-175177.1129.2173.8-6.1111.4I68 D74 I75I68-R653 HydrophobicContact CD1-CG 4.19Å; D74-R653 CarbonylContact C-O 3.36Å; D74-R653 WeakPolarHBondContact CA-O 3.41Å; D74-R653 VanDerWaalsContact CB-O 3.26Å; D74-R653 WeakPolarHBondContact CB-O 3.47Å; I75-R653 HydrophobicContact CG2-CB 4.5Å; I75-R653 PolarHBondContact N-O 3.28Å; I75-R653 PolarHBondContact O-N 3.37Å
654V89.6Confident90.8Very high11 Ų1150.2 Ų50.27%0.06724%0.235CC..EExtended strand (participates in β ladder)trans-96.5133173-1760000109.8D74 R659 H662 V670D74-V654 HydrophobicContact CB-CB 4.34Å; D74-V654 HydrophobicContact CB-CG2 4.06Å; V654-R659 HydrophobicContact CG1-CG 4.39Å; V654-H662 HydrophobicContact CG1-CB 3.97Å; V654-V670 HydrophobicContact CG2-CG1 4.05Å
655H88.1Confident90.1Very high53 Ų5354.7 Ų54.725%0.24526%0.255CS..  trans-58.2144.2174.7-166.5-95.9000110.3I68 R73 D657 S658 R659I68-H655 HydrophobicContact CD1-CB 3.95Å; R73-H655 WeakPolarHBondContact O-CB 3.49Å; R73-H655 PolarHBondContact O-N 3.2Å; H655-D657 VanDerWaalsContact C-N 3.27Å; H655-D657 IonicContact CE1-OD2 2.79Å; H655-D657 PolarHBondContact CE1-OD2 2.93Å; H655-D657 PolarHBondContact ND1-N 2.77Å; H655-D657 IonicContact ND1-OD2 2.97Å; H655-D657 PolarHBondContact O-N 3.2Å; H655-S658 PolarHBondContact O-N 3.11Å; H655-R659 PolarHBondContact O-N 3.49Å
656K85.7Confident89.7Confident154 Ų15455.9 Ų55.967%0.6726%0.264SS*.G310 helixtrans-55.8-44.4-175.3-71.9-177.9179.9177.70111.7S658 R659K656-S658 PolarHBondContact O-N 3.32Å; K656-R659 WeakPolarHBondContact O-CB 3.48Å; K656-R659 WeakPolarHBondContact O-CG 3.4Å; K656-R659 PolarHBondContact O-N 3.35Å
657D85.1Confident89.4Confident109 Ų10959.7 Ų59.758%0.58328%0.284SS*.G310 helixtrans-71.1-21.8-179-53.7-26.9000112.6H655H655-D657 VanDerWaalsContact C-N 3.27Å; H655-D657 IonicContact CE1-OD2 2.79Å; H655-D657 PolarHBondContact CE1-OD2 2.93Å; H655-D657 PolarHBondContact ND1-N 2.77Å; H655-D657 IonicContact ND1-OD2 2.97Å; H655-D657 PolarHBondContact O-N 3.2Å
658S85.8Confident89Confident17 Ų1762.6 Ų62.612%0.11930%0.298CS..G310 helixtrans-89.2-5.1178.1-59.30000113.4R73 H655 K656 S660 Y661 H662R73-S658 WeakPolarHBondContact CA-OG 3.33Å; R73-S658 WeakPolarHBondContact CB-OG 3.26Å; R73-S658 WeakPolarHBondContact CG-OG 3.21Å; R73-S658 WeakPolarHBondContact O-CB 3.49Å; R73-S658 PolarHBondContact O-OG 3.11Å; H655-S658 PolarHBondContact O-N 3.11Å; K656-S658 PolarHBondContact O-N 3.32Å; S658-S660 VanDerWaalsContact C-N 3.31Å; S658-S660 PolarHBondContact O-N 3.22Å; S658-Y661 PolarHBondContact O-N 2.94Å; S658-H662 WeakPolarHBondContact O-CB 3.46Å; S658-H662 PolarHBondContact O-N 3.28Å
659R83.3Confident88.7Confident117 Ų11759.5 Ų59.544%0.44228%0.283SS..Hα-helixtrans-60.3-39-178.6-72.6-176.4-177.4-170.70.2112.6V654 H655 K656 K663V654-R659 HydrophobicContact CG1-CG 4.39Å; H655-R659 PolarHBondContact O-N 3.49Å; K656-R659 WeakPolarHBondContact O-CB 3.48Å; K656-R659 WeakPolarHBondContact O-CG 3.4Å; K656-R659 PolarHBondContact O-N 3.35Å; R659-K663 WeakPolarHBondContact O-CB 3.24Å; R659-K663 PolarHBondContact O-N 3.12Å
660S84.3Confident88.5Confident75 Ų7560.2 Ų60.252%0.52429%0.288SS..Hα-helixtrans-65.7-44.2176.5-177.70000111.7S658 K663 N664S658-S660 VanDerWaalsContact C-N 3.31Å; S658-S660 PolarHBondContact O-N 3.22Å; S660-K663 PolarHBondContact O-N 3.24Å; S660-N664 WeakPolarHBondContact O-CB 3.26Å; S660-N664 PolarHBondContact O-N 3.26Å; S660-N664 PolarHBondContact O-ND2 3.36Å
661Y83.9Confident88.3Confident103 Ų10360.8 Ų60.840%0.40429%0.292SS..Hα-helixtrans-59.1-51.2175.4177-92000111.1R73 S658 K663 N664 H665R73-Y661 PolarHBondContact NH1-OH 3.49Å; S658-Y661 PolarHBondContact O-N 2.94Å; Y661-K663 VanDerWaalsContact C-N 3.34Å; Y661-K663 PolarHBondContact O-N 2.74Å; Y661-N664 PolarHBondContact O-N 3.27Å; Y661-N664 VanDerWaalsContact O-N 3.11Å; Y661-H665 AromaticContact CD2-CE1 3.94Å; Y661-H665 AromaticContact CD2-ND1 3.43Å; Y661-H665 WeakPolarHBondContact CD2-ND1 3.36Å; Y661-H665 HydrophobicContact CE1-CB 4.29Å; Y661-H665 HydrophobicContact CE2-CB 4.08Å; Y661-H665 AromaticContact CE2-CG 3.8Å; Y661-H665 AromaticContact CE2-ND1 3.6Å; Y661-H665 PolarHBondContact O-N 2.85Å; Y661-H665 PolarHBondContact O-ND1 3.43Å; Y661-H665 VanDerWaalsContact O-ND1 3.09Å
662H86.4Confident88.1Confident16 Ų1665.2 Ų65.27%0.07431%0.308CS..Hα-helixtrans-58.7-44.9177.5-178.8-87000111.3K596 V654 S658 N664 V666 H668K596-H662 WeakPolarHBondContact CE-O 3.29Å; K596-H662 PolarHBondContact NZ-CE1 3.44Å; K596-H662 VanDerWaalsContact NZ-CE1 3.34Å; K596-H662 PolarHBondContact NZ-ND1 3.41Å; K596-H662 PolarHBondContact NZ-O 2.85Å; V654-H662 HydrophobicContact CG1-CB 3.97Å; S658-H662 WeakPolarHBondContact O-CB 3.46Å; S658-H662 PolarHBondContact O-N 3.28Å; H662-N664 PolarHBondContact O-N 2.78Å; H662-V666 PolarHBondContact O-N 3.33Å; H662-H668 PolarHBondContact CE1-O 3.46Å
663K83.8Confident88Confident63 Ų6366.1 Ų66.127%0.27431%0.311SS..Hα-helixtrans-57.9-33176.9-176.4-179.1175.4-171.70112.5E595 K596 R599 R659 S660 Y661E595-K663 VanDerWaalsContact CD-CE 3.48Å; E595-K663 IonicContact OE1-NZ 2.67Å; E595-K663 PolarHBondContact OE1-NZ 2.67Å; E595-K663 WeakPolarHBondContact OE2-CE 3.33Å; E595-K663 IonicContact OE2-NZ 3.44Å; E595-K663 PolarHBondContact OE2-NZ 2.97Å; K596-K663 HydrophobicContact CD-CG 4.46Å; K596-K663 WeakPolarHBondContact CE-O 3.43Å; K596-K663 HydrophobicContact CG-CG 4.22Å; R599-K663 PolarHBondContact NH1-O 2.94Å; R659-K663 WeakPolarHBondContact O-CB 3.24Å; R659-K663 PolarHBondContact O-N 3.12Å; S660-K663 PolarHBondContact O-N 3.24Å; Y661-K663 VanDerWaalsContact C-N 3.34Å; Y661-K663 PolarHBondContact O-N 2.74Å
664N82.9Confident88.1Confident74 Ų7461.1 Ų61.140%0.39629%0.292SS..Hα-helixtrans-96.9-30.6-173.4-70.8-33.1000114.9R599 S660 Y661 H662R599-N664 PolarHBondContact NH1-O 2.84Å; R599-N664 VanDerWaalsContact NH1-O 3.07Å; R599-N664 PolarHBondContact NH2-OD1 3.45Å; S660-N664 WeakPolarHBondContact O-CB 3.26Å; S660-N664 PolarHBondContact O-N 3.26Å; S660-N664 PolarHBondContact O-ND2 3.36Å; Y661-N664 PolarHBondContact O-N 3.27Å; Y661-N664 VanDerWaalsContact O-N 3.11Å; H662-N664 PolarHBondContact O-N 2.78Å
665H83.6Confident88.4Confident128 Ų12860.7 Ų60.759%0.59329%0.289SS*.Hα-helixtrans-121.2-7.8-167.5-55.890.3000115.4Y661Y661-H665 AromaticContact CD2-CE1 3.94Å; Y661-H665 AromaticContact CD2-ND1 3.43Å; Y661-H665 WeakPolarHBondContact CD2-ND1 3.36Å; Y661-H665 HydrophobicContact CE1-CB 4.29Å; Y661-H665 HydrophobicContact CE2-CB 4.08Å; Y661-H665 AromaticContact CE2-CG 3.8Å; Y661-H665 AromaticContact CE2-ND1 3.6Å; Y661-H665 PolarHBondContact O-N 2.85Å; Y661-H665 PolarHBondContact O-ND1 3.43Å; Y661-H665 VanDerWaalsContact O-ND1 3.09Å
666V88Confident88.8Confident44 Ų4458.8 Ų58.827%0.26728%0.281SS..  trans-111.4127.6178.5179.80000108.2K596 H662 H668K596-V666 WeakPolarHBondContact CE-O 3.46Å; K596-V666 PolarHBondContact NZ-O 3.49Å; H662-V666 PolarHBondContact O-N 3.33Å; V666-H668 HydrophobicContact CG1-CB 4.01Å
667D90.5Very high89.1Confident81 Ų8151.5 Ų51.543%0.43325%0.249SC..SBendtrans-72.5-36.9-179.1-75.6-42.9000112.5T602 E605T602-D667 VanDerWaalsContact CA-O 3.31Å; T602-D667 WeakPolarHBondContact CA-O 3.37Å; T602-D667 VanDerWaalsContact CB-O 3.3Å; T602-D667 WeakPolarHBondContact CB-O 3.41Å; T602-D667 WeakPolarHBondContact CG2-O 3.26Å; T602-D667 PolarHBondContact OG1-O 3.32Å; E605-D667 HydrophobicContact CG-CB 4.04Å
668H90Very high89.6Confident62 Ų6246.5 Ų46.529%0.28722%0.223SC..SBendtrans-56.7141.4172.6-65.697.5000112.1K596 E605 H662 V666 R674K596-H668 PolarHBondContact NZ-O 3.18Å; E605-H668 IonicContact OE2-CD2 2.73Å; E605-H668 PolarHBondContact OE2-CD2 3.36Å; E605-H668 IonicContact OE2-CE1 2.92Å; E605-H668 IonicContact OE2-NE2 3.66Å; E605-H668 PolarHBondContact OE2-NE2 3.35Å; E605-H668 VanDerWaalsContact OE2-NE2 3.11Å; H662-H668 PolarHBondContact CE1-O 3.46Å; V666-H668 HydrophobicContact CG1-CB 4.01Å; H668-R674 PolarHBondContact CD2-NH1 3.23Å; H668-R674 PolarHBondContact CD2-NH2 3.02Å; H668-R674 VanDerWaalsContact CD2-NH2 3.28Å; H668-R674 PolarHBondContact NE2-NH2 3.05Å
669I91.5Very high90.1Very high4 Ų445.7 Ų45.72%0.02122%0.217CC..PPolyproline II helixtrans-73.6164164.560.5-179.3000110.3Y587 T602 I606 R674Y587-I669 HydrophobicContact CD1-CD1 3.36Å; Y587-I669 HydrophobicContact CE1-CD1 3.1Å; T602-I669 HydrophobicContact CG2-CG2 3.59Å; I606-I669 HydrophobicContact CD1-CG2 4.35Å; I606-I669 HydrophobicContact CG1-CD1 4.27Å; I669-R674 HydrophobicContact CD1-CG 4.07Å; I669-R674 HydrophobicContact CG1-CB 4.5Å; I669-R674 HydrophobicContact CG1-CG 3.48Å; I669-R674 VanDerWaalsContact CG1-CG 3.48Å
670V91.9Very high90.6Very high16 Ų1640.1 Ų40.110%0.09720%0.197CC..PPolyproline II helixtrans-60.7145-179.2-63.20000110.9D592 V654 R672 Y673 R674D592-V670 HydrophobicContact CB-CG1 4.42Å; D592-V670 HydrophobicContact CB-CG2 4.02Å; V654-V670 HydrophobicContact CG2-CG1 4.05Å; V670-R672 VanDerWaalsContact C-N 3.27Å; V670-R672 PolarHBondContact O-N 3.29Å; V670-R672 VanDerWaalsContact O-N 3.11Å; V670-Y673 HydrophobicContact CG2-CD2 3.28Å; V670-Y673 HydrophobicContact CG2-CE2 3.71Å; V670-Y673 HydrophobicContact CG2-CG 4.26Å; V670-Y673 PolarHBondContact O-N 3.41Å; V670-R674 PolarHBondContact O-N 2.89Å
671P93.9Very high91.1Very high18 Ų1837 Ų3712%0.11717%0.174CC..Hα-helixtrans-56-38.4-166.7-25.833.7000114.3L650 G652 Y673 R674 V675L650-P671 WeakPolarHBondContact O-CB 3.47Å; G652-P671 WeakPolarHBondContact O-CB 3.44Å; G652-P671 WeakPolarHBondContact O-CG 3.33Å; P671-Y673 VanDerWaalsContact C-N 3.28Å; P671-Y673 PolarHBondContact O-N 3.21Å; P671-R674 WeakPolarHBondContact O-CB 3.43Å; P671-R674 PolarHBondContact O-N 2.61Å; P671-V675 PolarHBondContact O-N 2.92Å
672R94Very high91.6Very high93 Ų9332.6 Ų32.635%0.35116%0.158SC..Hα-helixtrans-48.3-46.3173.1175.7171.5174.4-178-6114.1N53 Y55 V670 I676N53-R672 PolarHBondContact ND2-NH2 3.32Å; Y55-R672 HydrophobicContact CD1-CB 3.82Å; Y55-R672 HydrophobicContact CD1-CG 3.68Å; Y55-R672 VanDerWaalsContact CD2-CA 3.46Å; Y55-R672 HydrophobicContact CD2-CB 4.14Å; Y55-R672 HydrophobicContact CD2-CG 4.47Å; Y55-R672 HydrophobicContact CE1-CB 3.96Å; Y55-R672 HydrophobicContact CE1-CG 4.27Å; Y55-R672 HydrophobicContact CE2-CB 4.21Å; Y55-R672 HydrophobicContact CG-CB 3.93Å; Y55-R672 HydrophobicContact CG-CG 3.8Å; V670-R672 VanDerWaalsContact C-N 3.27Å; V670-R672 PolarHBondContact O-N 3.29Å; V670-R672 VanDerWaalsContact O-N 3.11Å; R672-I676 HydrophobicContact CG-CD1 3.7Å; R672-I676 WeakPolarHBondContact O-CG1 3.02Å; R672-I676 PolarHBondContact O-N 2.64Å; R672-I676 VanDerWaalsContact O-N 3.08Å
673Y93.8Very high92Very high22 Ų2236.1 Ų36.19%0.08617%0.174CC..Hα-helixtrans-83.9-19.8-177.3-59.9-54000112.5Y587 H590 D592 V670 P671 V675 I676 G677Y587-Y673 VanDerWaalsContact CE1-O 3.25Å; Y587-Y673 WeakPolarHBondContact CE1-O 3.35Å; H590-Y673 HydrophobicContact CB-CD1 3.74Å; H590-Y673 HydrophobicContact CB-CD2 3.95Å; H590-Y673 HydrophobicContact CB-CE1 3.55Å; H590-Y673 HydrophobicContact CB-CE2 3.81Å; H590-Y673 HydrophobicContact CB-CG 3.96Å; H590-Y673 AromaticContact CD2-CD1 3.43Å; H590-Y673 VanDerWaalsContact CD2-CD1 3.43Å; H590-Y673 WeakPolarHBondContact CD2-CD1 3.4Å; H590-Y673 AromaticContact CD2-CE1 3.92Å; H590-Y673 AromaticContact CD2-CG 3.92Å; H590-Y673 AromaticContact CE1-CD1 3.96Å; H590-Y673 AromaticContact CE1-CE1 3.96Å; H590-Y673 AromaticContact CG-CD1 3.34Å; H590-Y673 AromaticContact CG-CE1 3.34Å; H590-Y673 AromaticContact CG-CG 3.95Å; H590-Y673 AromaticContact CG-CZ 3.95Å; H590-Y673 AromaticContact ND1-CD1 3.7Å; H590-Y673 AromaticContact ND1-CE1 3.38Å; H590-Y673 WeakPolarHBondContact ND1-CE1 3.48Å; H590-Y673 AromaticContact NE2-CD1 3.83Å; D592-Y673 HydrophobicContact CB-CD2 4.33Å; D592-Y673 HydrophobicContact CB-CE2 3.93Å; V670-Y673 HydrophobicContact CG2-CD2 3.28Å; V670-Y673 HydrophobicContact CG2-CE2 3.71Å; V670-Y673 HydrophobicContact CG2-CG 4.26Å; V670-Y673 PolarHBondContact O-N 3.41Å; P671-Y673 VanDerWaalsContact C-N 3.28Å; P671-Y673 PolarHBondContact O-N 3.21Å; Y673-V675 VanDerWaalsContact C-N 3.34Å; Y673-I676 HydrophobicContact CD1-CD1 4.4Å; Y673-G677 WeakPolarHBondContact O-CA 3.24Å; Y673-G677 PolarHBondContact O-N 2.63Å
674R94.7Very high92.6Very high24 Ų2435.3 Ų35.39%0.09117%0.172CC..Hα-helixtrans-58.6-49.1167.2-58.9-176.569.41798.3110.3D609 L650 H668 I669 V670 P671 A678D609-R674 IonicContact OD1-CZ 2.73Å; D609-R674 IonicContact OD1-NE 2.78Å; D609-R674 PolarHBondContact OD1-NE 3.2Å; D609-R674 IonicContact OD1-NH2 3.88Å; D609-R674 PolarHBondContact OD1-NH2 3.01Å; D609-R674 WeakPolarHBondContact OD2-CG 3.48Å; D609-R674 IonicContact OD2-CZ 3.43Å; D609-R674 IonicContact OD2-NE 3.82Å; D609-R674 PolarHBondContact OD2-NE 3.43Å; D609-R674 IonicContact OD2-NH2 3.58Å; L650-R674 HydrophobicContact CD1-CB 4.19Å; H668-R674 PolarHBondContact CD2-NH1 3.23Å; H668-R674 PolarHBondContact CD2-NH2 3.02Å; H668-R674 VanDerWaalsContact CD2-NH2 3.28Å; H668-R674 PolarHBondContact NE2-NH2 3.05Å; I669-R674 HydrophobicContact CD1-CG 4.07Å; I669-R674 HydrophobicContact CG1-CB 4.5Å; I669-R674 HydrophobicContact CG1-CG 3.48Å; I669-R674 VanDerWaalsContact CG1-CG 3.48Å; V670-R674 PolarHBondContact O-N 2.89Å; P671-R674 WeakPolarHBondContact O-CB 3.43Å; P671-R674 PolarHBondContact O-N 2.61Å; R674-A678 VanDerWaalsContact O-CB 3.31Å; R674-A678 WeakPolarHBondContact O-CB 3.41Å; R674-A678 PolarHBondContact O-N 3.46Å
675V96.2Very high93.3Very high1 Ų131.8 Ų31.81%0.00615%0.153CC..Hα-helixtrans-65.1-57.8177.4176.40000111.8F54 Y55 A647 L650 P671 Y673 G677 A678 L679F54-V675 HydrophobicContact CD1-CG1 4.33Å; Y55-V675 HydrophobicContact CD2-CB 4.03Å; Y55-V675 HydrophobicContact CD2-CG1 4.46Å; Y55-V675 HydrophobicContact CD2-CG2 3.91Å; A647-V675 HydrophobicContact CB-CG1 3.66Å; A647-V675 HydrophobicContact CB-CG2 4.37Å; L650-V675 HydrophobicContact CB-CG2 3.49Å; L650-V675 VanDerWaalsContact CB-CG2 3.49Å; L650-V675 HydrophobicContact CD1-CG2 4.08Å; L650-V675 HydrophobicContact CG-CG2 4.46Å; P671-V675 PolarHBondContact O-N 2.92Å; Y673-V675 VanDerWaalsContact C-N 3.34Å; V675-G677 PolarHBondContact O-N 3.43Å; V675-A678 PolarHBondContact O-N 3.45Å; V675-L679 HydrophobicContact CG1-CD1 3.67Å; V675-L679 WeakPolarHBondContact O-CB 3.39Å; V675-L679 WeakPolarHBondContact O-CG 3.43Å; V675-L679 PolarHBondContact O-N 2.51Å
676I95.1Very high93.9Very high14 Ų1426 Ų267%0.07213%0.127CC..Hα-helixtrans-60.9-47.6-174.7-69.5170.5000110.9N53 R672 Y673 A678 S680 M697N53-I676 WeakPolarHBondContact OD1-CD1 3Å; R672-I676 HydrophobicContact CG-CD1 3.7Å; R672-I676 WeakPolarHBondContact O-CG1 3.02Å; R672-I676 PolarHBondContact O-N 2.64Å; R672-I676 VanDerWaalsContact O-N 3.08Å; Y673-I676 HydrophobicContact CD1-CD1 4.4Å; I676-A678 PolarHBondContact O-N 3.43Å; I676-S680 VanDerWaalsContact O-CB 3.26Å; I676-S680 WeakPolarHBondContact O-CB 3.45Å; I676-S680 PolarHBondContact O-N 3.42Å; I676-S680 PolarHBondContact O-OG 2.89Å; I676-M697 HydrophobicContact CB-SD 4.3Å; I676-M697 HydrophobicContact CG1-SD 4.16Å; I676-M697 HydrophobicContact CG2-SD 3.85Å
677G92.6Very high94.3Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-67.2-36.8-174.800000113.1Y587 Y673 V675 N681Y587-G677 VanDerWaalsContact CZ-CA 3.49Å; Y587-G677 WeakPolarHBondContact OH-CA 3.44Å; Y673-G677 WeakPolarHBondContact O-CA 3.24Å; Y673-G677 PolarHBondContact O-N 2.63Å; V675-G677 PolarHBondContact O-N 3.43Å; G677-N681 PolarHBondContact O-ND2 2.77Å
678A94.5Very high94.6Very high4 Ų425 Ų253%0.03312%0.119CC..Hα-helixtrans-74.8-46.517800000111.9Y587 N610 L613 R674 V675 I676 N681 T682Y587-A678 PolarHBondContact OH-N 3.02Å; Y587-A678 VanDerWaalsContact OH-N 3.15Å; N610-A678 WeakPolarHBondContact OD1-CA 3.43Å; L613-A678 HydrophobicContact CD1-CB 3.73Å; R674-A678 VanDerWaalsContact O-CB 3.31Å; R674-A678 WeakPolarHBondContact O-CB 3.41Å; R674-A678 PolarHBondContact O-N 3.46Å; V675-A678 PolarHBondContact O-N 3.45Å; I676-A678 PolarHBondContact O-N 3.43Å; A678-N681 PolarHBondContact O-N 2.97Å; A678-T682 PolarHBondContact O-OG1 2.99Å
679L96.5Very high95Very high0 Ų023.2 Ų23.20%011%0.11CC..Hα-helixtrans-70.1-37.7-176.7-70.5174.9000113.3F54 L613 F643 A647 V675 N681 T682 F685 M697F54-L679 HydrophobicContact CB-CD1 4.47Å; F54-L679 HydrophobicContact CD1-CD1 3.25Å; F54-L679 HydrophobicContact CE1-CD1 3.73Å; F54-L679 HydrophobicContact CG-CD1 4.09Å; L613-L679 HydrophobicContact CD1-CD2 3.62Å; L613-L679 HydrophobicContact CD1-CG 4.09Å; F643-L679 HydrophobicContact CB-CD2 4.19Å; F643-L679 HydrophobicContact CD1-CD2 3.33Å; F643-L679 HydrophobicContact CE1-CD2 4.01Å; F643-L679 HydrophobicContact CG-CD2 4.04Å; A647-L679 HydrophobicContact CB-CD1 4.37Å; V675-L679 HydrophobicContact CG1-CD1 3.67Å; V675-L679 WeakPolarHBondContact O-CB 3.39Å; V675-L679 WeakPolarHBondContact O-CG 3.43Å; V675-L679 PolarHBondContact O-N 2.51Å; L679-N681 PolarHBondContact O-N 2.95Å; L679-T682 WeakPolarHBondContact O-CB 3.35Å; L679-T682 PolarHBondContact O-N 3.19Å; L679-F685 HydrophobicContact CB-CD1 4.32Å; L679-F685 HydrophobicContact CB-CD2 4.2Å; L679-F685 HydrophobicContact CB-CE2 4.46Å; L679-F685 HydrophobicContact CB-CG 4.13Å; L679-F685 HydrophobicContact CD1-CD2 4.31Å; L679-F685 HydrophobicContact CD1-CE2 4.21Å; L679-F685 HydrophobicContact CD2-CB 4.39Å; L679-F685 HydrophobicContact CD2-CD2 3.91Å; L679-F685 HydrophobicContact CD2-CG 4.23Å; L679-F685 HydrophobicContact CG-CD2 4.39Å; L679-M697 HydrophobicContact CB-CE 3.74Å
680S95.3Very high95.2Very high1 Ų129.8 Ų29.81%0.00715%0.145CC..Hα-helixtrans-68.2-18.5177.456.90000113.4H586 I676 T682 M697 P699H586-S680 PolarHBondContact CE1-OG 3.45Å; I676-S680 VanDerWaalsContact O-CB 3.26Å; I676-S680 WeakPolarHBondContact O-CB 3.45Å; I676-S680 PolarHBondContact O-N 3.42Å; I676-S680 PolarHBondContact O-OG 2.89Å; S680-T682 VanDerWaalsContact C-N 3.34Å; S680-M697 WeakPolarHBondContact CA-O 3.44Å; S680-P699 VanDerWaalsContact O-CD 3.28Å; S680-P699 WeakPolarHBondContact O-CD 3.08Å; S680-P699 WeakPolarHBondContact O-CG 3.41Å
681N93.5Very high95.5Very high9 Ų929.4 Ų29.45%0.04814%0.143CC..THydrogen-bonded Turntrans-85.1-4.4169.6-79.7-46.6000113.7L583 H586 N610 G677 A678 L679 C703L583-N681 WeakPolarHBondContact CD2-ND2 3.41Å; H586-N681 PolarHBondContact ND1-ND2 2.61Å; H586-N681 PolarHBondContact ND1-OD1 3.09Å; N610-N681 PolarHBondContact OD1-ND2 2.71Å; G677-N681 PolarHBondContact O-ND2 2.77Å; A678-N681 PolarHBondContact O-N 2.97Å; L679-N681 PolarHBondContact O-N 2.95Å; N681-C703 WeakPolarHBondContact OD1-CB 3.35Å; N681-C703 PolarHBondContact OD1-N 2.98Å
682T94.7Very high95.7Very high11 Ų1132.6 Ų32.67%0.06716%0.164CC..  trans-101.1117.4-176.1-54.80000110L613 F643 A678 L679 S680 E684 F685 A686L613-T682 HydrophobicContact CD2-CG2 4.06Å; L613-T682 WeakPolarHBondContact CD2-OG1 3.33Å; F643-T682 HydrophobicContact CE1-CG2 3.97Å; F643-T682 HydrophobicContact CZ-CG2 4.02Å; A678-T682 PolarHBondContact O-OG1 2.99Å; L679-T682 WeakPolarHBondContact O-CB 3.35Å; L679-T682 PolarHBondContact O-N 3.19Å; S680-T682 VanDerWaalsContact C-N 3.34Å; T682-E684 HydrophobicContact CG2-CB 4.34Å; T682-E684 WeakPolarHBondContact CG2-OE2 3.06Å; T682-F685 HydrophobicContact CG2-CB 4.1Å; T682-F685 PolarHBondContact O-N 3.41Å; T682-A686 PolarHBondContact O-N 3.23Å
683E95Very high95.9Very high89 Ų8934.6 Ų34.642%0.41618%0.18SC..Hα-helixtrans-70.6-38.3-176.4-176.8170.6-177.400111.6F685 A686 I687 K704E683-F685 VanDerWaalsContact C-N 3.25Å; E683-F685 PolarHBondContact O-N 2.77Å; E683-A686 WeakPolarHBondContact O-CB 3.5Å; E683-A686 PolarHBondContact O-N 3.19Å; E683-A686 VanDerWaalsContact O-N 3.11Å; E683-I687 HydrophobicContact CG-CD1 4.22Å; E683-I687 WeakPolarHBondContact O-CG1 3.31Å; E683-I687 PolarHBondContact O-N 3.17Å; E683-K704 IonicContact OE2-NZ 2.73Å; E683-K704 PolarHBondContact OE2-NZ 3.1Å
684E95.5Very high96Very high47 Ų4736 Ų3622%0.2220%0.201CC..Hα-helixtrans-63.8-32.7179-58.190.8159.200111.8K614 Y617 F643 T682 I687 A688K614-E684 IonicContact NZ-OE1 3.79Å; K614-E684 PolarHBondContact NZ-OE1 3.02Å; K614-E684 IonicContact NZ-OE2 3.15Å; Y617-E684 HydrophobicContact CD1-CG 4.45Å; Y617-E684 HydrophobicContact CE1-CB 3.73Å; Y617-E684 HydrophobicContact CE1-CG 3.59Å; Y617-E684 HydrophobicContact CE2-CB 4.34Å; F643-E684 HydrophobicContact CZ-CB 4.18Å; T682-E684 HydrophobicContact CG2-CB 4.34Å; T682-E684 WeakPolarHBondContact CG2-OE2 3.06Å; E684-I687 PolarHBondContact O-N 3.27Å; E684-A688 VanDerWaalsContact O-CB 3.31Å; E684-A688 WeakPolarHBondContact O-CB 3.35Å; E684-A688 PolarHBondContact O-N 3.48Å
685F97.6Very high96.1Very high0 Ų035.3 Ų35.30%020%0.2CC..Hα-helixtrans-62.6-49.2171.2165.9-90.7000111.5F54 F643 L679 T682 E683 I687 A688 Y689 M697F54-F685 HydrophobicContact CB-CE2 4.32Å; F54-F685 HydrophobicContact CB-CZ 3.94Å; F54-F685 AromaticContact CD1-CE2 3.94Å; F54-F685 HydrophobicContact CD1-CE2 3.94Å; F54-F685 HydrophobicContact CD1-CZ 4.42Å; F54-F685 AromaticContact CD2-CE2 3.46Å; F54-F685 HydrophobicContact CD2-CE2 3.46Å; F54-F685 VanDerWaalsContact CD2-CE2 3.46Å; F54-F685 AromaticContact CD2-CZ 3.5Å; F54-F685 HydrophobicContact CD2-CZ 3.5Å; F54-F685 HydrophobicContact CE1-CE2 4.05Å; F54-F685 AromaticContact CE2-CE2 3.63Å; F54-F685 HydrophobicContact CE2-CE2 3.63Å; F54-F685 HydrophobicContact CE2-CZ 4.1Å; F54-F685 AromaticContact CG-CE2 3.62Å; F54-F685 HydrophobicContact CG-CE2 3.62Å; F54-F685 AromaticContact CG-CZ 3.68Å; F54-F685 HydrophobicContact CG-CZ 3.68Å; F54-F685 AromaticContact CZ-CE2 3.9Å; F54-F685 HydrophobicContact CZ-CE2 3.9Å; F643-F685 HydrophobicContact CB-CD2 3.88Å; F643-F685 HydrophobicContact CB-CE2 4.41Å; F643-F685 HydrophobicContact CD1-CB 4.21Å; F643-F685 HydrophobicContact CD1-CD2 4.22Å; F643-F685 HydrophobicContact CD2-CB 4.06Å; F643-F685 AromaticContact CD2-CD2 3.91Å; F643-F685 HydrophobicContact CD2-CD2 3.91Å; F643-F685 HydrophobicContact CD2-CG 4.49Å; F643-F685 HydrophobicContact CE1-CB 3.99Å; F643-F685 HydrophobicContact CE2-CB 3.86Å; F643-F685 HydrophobicContact CG-CB 4.25Å; F643-F685 AromaticContact CG-CD2 3.74Å; F643-F685 HydrophobicContact CG-CD2 3.74Å; F643-F685 HydrophobicContact CG-CG 4.5Å; F643-F685 HydrophobicContact CZ-CB 3.82Å; L679-F685 HydrophobicContact CB-CD1 4.32Å; L679-F685 HydrophobicContact CB-CD2 4.2Å; L679-F685 HydrophobicContact CB-CE2 4.46Å; L679-F685 HydrophobicContact CB-CG 4.13Å; L679-F685 HydrophobicContact CD1-CD2 4.31Å; L679-F685 HydrophobicContact CD1-CE2 4.21Å; L679-F685 HydrophobicContact CD2-CB 4.39Å; L679-F685 HydrophobicContact CD2-CD2 3.91Å; L679-F685 HydrophobicContact CD2-CG 4.23Å; L679-F685 HydrophobicContact CG-CD2 4.39Å; T682-F685 HydrophobicContact CG2-CB 4.1Å; T682-F685 PolarHBondContact O-N 3.41Å; E683-F685 VanDerWaalsContact C-N 3.25Å; E683-F685 PolarHBondContact O-N 2.77Å; F685-I687 PolarHBondContact O-N 3.19Å; F685-A688 PolarHBondContact O-N 3.37Å; F685-Y689 AromaticContact CD2-CD2 3.86Å; F685-Y689 HydrophobicContact CD2-CD2 3.86Å; F685-Y689 HydrophobicContact CD2-CE2 4.22Å; F685-Y689 AromaticContact CE2-CD2 3.53Å; F685-Y689 HydrophobicContact CE2-CD2 3.53Å; F685-Y689 AromaticContact CE2-CE2 3.88Å; F685-Y689 HydrophobicContact CE2-CE2 3.88Å; F685-Y689 HydrophobicContact CE2-CG 4.28Å; F685-Y689 HydrophobicContact CZ-CD2 4.13Å; F685-Y689 HydrophobicContact CZ-CG 4.47Å; F685-Y689 PolarHBondContact O-N 2.93Å; F685-Y689 VanDerWaalsContact O-N 3.1Å; F685-M697 HydrophobicContact CE1-CB 3.8Å; F685-M697 HydrophobicContact CE1-CE 3.87Å; F685-M697 HydrophobicContact CZ-CB 4.4Å; F685-M697 HydrophobicContact CZ-CE 3.98Å
686A97.7Very high96Very high5 Ų538.1 Ų38.14%0.04122%0.219CC..Hα-helixtrans-62.4-35.1-179.800000111.7T682 E683 N690 C691 N698T682-A686 PolarHBondContact O-N 3.23Å; E683-A686 WeakPolarHBondContact O-CB 3.5Å; E683-A686 PolarHBondContact O-N 3.19Å; E683-A686 VanDerWaalsContact O-N 3.11Å; A686-N690 CarbonylContact O-C 3.18Å; A686-N690 WeakPolarHBondContact O-CA 3.49Å; A686-N690 PolarHBondContact O-N 3.5Å; A686-C691 HydrophobicContact CB-CB 4.37Å; A686-C691 PolarHBondContact O-N 2.91Å; A686-N698 HydrophobicContact CB-CB 3.87Å; A686-N698 VanDerWaalsContact CB-CG 3.47Å
687I96.8Very high96.1Very high102 Ų10237.5 Ų37.552%0.52322%0.215SC..Hα-helixtrans-67.9-49173.4-65.9167.3000110.8L636 E683 E684 F685 Y689 N690L636-I687 HydrophobicContact CD2-CG2 3.92Å; E683-I687 HydrophobicContact CG-CD1 4.22Å; E683-I687 WeakPolarHBondContact O-CG1 3.31Å; E683-I687 PolarHBondContact O-N 3.17Å; E684-I687 PolarHBondContact O-N 3.27Å; F685-I687 PolarHBondContact O-N 3.19Å; I687-Y689 VanDerWaalsContact C-N 3.27Å; I687-Y689 PolarHBondContact O-N 3.08Å; I687-N690 PolarHBondContact O-N 3.24Å; I687-N690 VanDerWaalsContact O-N 3.12Å
688A96.6Very high96.3Very high2 Ų238.1 Ų38.12%0.01722%0.219CC..Hα-helixtrans-58.4-37.3-176.700000113.4D639 R640 F643 E684 F685D639-A688 HydrophobicContact CB-CB 3.83Å; R640-A688 WeakPolarHBondContact CD-O 3.11Å; R640-A688 HydrophobicContact CG-CB 4.1Å; R640-A688 WeakPolarHBondContact CG-O 3.44Å; R640-A688 PolarHBondContact NH1-O 2.9Å; F643-A688 HydrophobicContact CD2-CB 4.16Å; F643-A688 HydrophobicContact CE2-CB 4.08Å; E684-A688 VanDerWaalsContact O-CB 3.31Å; E684-A688 WeakPolarHBondContact O-CB 3.35Å; E684-A688 PolarHBondContact O-N 3.48Å; F685-A688 PolarHBondContact O-N 3.37Å
689Y97.2Very high96.3Very high26 Ų2638.6 Ų38.610%0.10222%0.221CC..THydrogen-bonded Turntrans-1002.7178.9-78.2-85.4000114.4P50 F54 Y57 R640 F643 F685 I687 C691P50-Y689 HydrophobicContact CB-CD1 3.69Å; P50-Y689 HydrophobicContact CB-CE1 4.14Å; P50-Y689 HydrophobicContact CB-CG 4.31Å; P50-Y689 HydrophobicContact CG-CD1 3.76Å; P50-Y689 HydrophobicContact CG-CE1 4.41Å; F54-Y689 HydrophobicContact CE2-CD1 4.13Å; F54-Y689 HydrophobicContact CE2-CD2 4.05Å; F54-Y689 AromaticContact CE2-CE1 3.63Å; F54-Y689 HydrophobicContact CE2-CE1 3.63Å; F54-Y689 AromaticContact CE2-CE2 3.53Å; F54-Y689 HydrophobicContact CE2-CE2 3.53Å; F54-Y689 HydrophobicContact CE2-CG 4.32Å; F54-Y689 AromaticContact CE2-CZ 3.31Å; F54-Y689 HydrophobicContact CZ-CE1 4.3Å; F54-Y689 AromaticContact CZ-CE2 3.67Å; F54-Y689 HydrophobicContact CZ-CE2 3.67Å; F54-Y689 AromaticContact CZ-CZ 3.54Å; F54-Y689 WeakPolarHBondContact CZ-OH 3.45Å; Y57-Y689 HydrophobicContact CE1-CE1 4.07Å; R640-Y689 HydrophobicContact CB-CE1 4.39Å; R640-Y689 HydrophobicContact CB-CE2 3.97Å; R640-Y689 HydrophobicContact CG-CD1 4.25Å; R640-Y689 HydrophobicContact CG-CD2 4.01Å; R640-Y689 HydrophobicContact CG-CE1 3.99Å; R640-Y689 HydrophobicContact CG-CE2 3.73Å; R640-Y689 HydrophobicContact CG-CG 4.26Å; R640-Y689 PolarHBondContact O-OH 3.29Å; F643-Y689 HydrophobicContact CB-CE2 4.18Å; F685-Y689 AromaticContact CD2-CD2 3.86Å; F685-Y689 HydrophobicContact CD2-CD2 3.86Å; F685-Y689 HydrophobicContact CD2-CE2 4.22Å; F685-Y689 AromaticContact CE2-CD2 3.53Å; F685-Y689 HydrophobicContact CE2-CD2 3.53Å; F685-Y689 AromaticContact CE2-CE2 3.88Å; F685-Y689 HydrophobicContact CE2-CE2 3.88Å; F685-Y689 HydrophobicContact CE2-CG 4.28Å; F685-Y689 HydrophobicContact CZ-CD2 4.13Å; F685-Y689 HydrophobicContact CZ-CG 4.47Å; F685-Y689 PolarHBondContact O-N 2.93Å; F685-Y689 VanDerWaalsContact O-N 3.1Å; I687-Y689 VanDerWaalsContact C-N 3.27Å; I687-Y689 PolarHBondContact O-N 3.08Å; Y689-C691 VanDerWaalsContact C-N 3.32Å; Y689-C691 PolarHBondContact O-N 2.83Å
690N96.9Very high96.2Very high141 Ų14144.4 Ų44.475%0.75426%0.256SS*.THydrogen-bonded Turntrans53.145.1-178.9-169.346.1000113.6A686 I687A686-N690 CarbonylContact O-C 3.18Å; A686-N690 WeakPolarHBondContact O-CA 3.49Å; A686-N690 PolarHBondContact O-N 3.5Å; I687-N690 PolarHBondContact O-N 3.24Å; I687-N690 VanDerWaalsContact O-N 3.12Å
691C98.1Very high96Very high8 Ų852.4 Ų52.45%0.05429%0.291CS..PPolyproline II helixtrans-77.4130.1-179.7-64.40000111.5C51 A686 Y689 N698C51-C691 WeakPolarHBondContact CA-SG 3.25Å; C51-C691 HydrophobicContact CB-CB 3.66Å; C51-C691 WeakPolarHBondContact CB-SG 3.49Å; C51-C691 WeakPolarHBondContact SG-CA 3.38Å; C51-C691 WeakPolarHBondContact SG-CB 3.39Å; C51-C691 CovalentContact SG-SG 2.05Å; C51-C691 PolarHBondContact SG-SG 2.86Å; A686-C691 HydrophobicContact CB-CB 4.37Å; A686-C691 PolarHBondContact O-N 2.91Å; Y689-C691 VanDerWaalsContact C-N 3.32Å; Y689-C691 PolarHBondContact O-N 2.83Å; C691-N698 HydrophobicContact CB-CB 3.76Å; C691-N698 PolarHBondContact O-ND2 3.18Å
692P97.8Very high95.9Very high85 Ų8554.3 Ų54.355%0.55230%0.299SS*.PPolyproline II helixtrans-70.4143.3-17926.8-31.8000111.4G694 S695 N698P692-G694 PolarHBondContact O-N 3.07Å; P692-S695 WeakPolarHBondContact O-CB 3.29Å; P692-S695 PolarHBondContact O-N 3.47Å; P692-S695 PolarHBondContact O-OG 3.39Å; P692-N698 WeakPolarHBondContact O-CB 3.49Å
693I97.6Very high95.6Very high135 Ų13554.2 Ų54.269%0.69230%0.299SS*.THydrogen-bonded Turntrans-57.5129176.7-65171.7000109.4N698 V700I693-N698 PolarHBondContact N-ND2 3.16Å; I693-V700 HydrophobicContact CG2-CG2 3.87Å
694G96Very high94.9Very high51 Ų5156 Ų5653%0.52631%0.305SS..THydrogen-bonded Turntrans96.8-11.3-177.100000114.2P692 N698P692-G694 PolarHBondContact O-N 3.07Å; G694-N698 PolarHBondContact N-O 2.95Å
695S96.5Very high93.9Very high10 Ų1054.3 Ų54.37%0.0730%0.298CS..SBendtrans-63.6158.2169.177.90000111C51 P692 M697 N698C51-S695 PolarHBondContact O-OG 3.11Å; P692-S695 WeakPolarHBondContact O-CB 3.29Å; P692-S695 PolarHBondContact O-N 3.47Å; P692-S695 PolarHBondContact O-OG 3.39Å; S695-M697 PolarHBondContact O-N 3.09Å; S695-M697 VanDerWaalsContact O-N 3.17Å; S695-N698 CarbonylContact O-C 3.6Å; S695-N698 PolarHBondContact O-N 2.87Å; S695-N698 WeakPolarHBondContact OG-CB 3.24Å; S695-N698 PolarHBondContact OG-N 3.06Å
696P94.5Very high92.9Very high61 Ų6156.1 Ų56.140%0.39630%0.304SS..THydrogen-bonded Turntrans-53.7-37.4179.6-28.636.4000113.8E52E52-P696 WeakPolarHBondContact O-CB 3.34Å; E52-P696 VanDerWaalsContact OE1-CD 3.31Å; E52-P696 WeakPolarHBondContact OE1-CD 3.49Å; E52-P696 WeakPolarHBondContact OE2-CG 3.49Å
697M96.4Very high92.6Very high1 Ų158.7 Ų58.71%0.00532%0.318CS..THydrogen-bonded Turntrans-92.40.2178.8-59.3-66.2-50.300114.2P50 C51 F54 I676 L679 S680 F685 S695P50-M697 WeakPolarHBondContact O-CG 3.35Å; C51-M697 VanDerWaalsContact O-CB 3.27Å; C51-M697 WeakPolarHBondContact O-CB 3.37Å; C51-M697 WeakPolarHBondContact O-CG 3.48Å; C51-M697 PolarHBondContact O-N 2.88Å; F54-M697 HydrophobicContact CB-CE 3.56Å; F54-M697 HydrophobicContact CB-CG 4.37Å; F54-M697 HydrophobicContact CB-SD 4.07Å; I676-M697 HydrophobicContact CB-SD 4.3Å; I676-M697 HydrophobicContact CG1-SD 4.16Å; I676-M697 HydrophobicContact CG2-SD 3.85Å; L679-M697 HydrophobicContact CB-CE 3.74Å; S680-M697 WeakPolarHBondContact CA-O 3.44Å; F685-M697 HydrophobicContact CE1-CB 3.8Å; F685-M697 HydrophobicContact CE1-CE 3.87Å; F685-M697 HydrophobicContact CZ-CB 4.4Å; F685-M697 HydrophobicContact CZ-CE 3.98Å; S695-M697 PolarHBondContact O-N 3.09Å; S695-M697 VanDerWaalsContact O-N 3.17Å
698N97Very high92.4Very high13 Ų1356.4 Ų56.47%0.0731%0.307CS..SBendtrans-135.763.1171-172.415.4000111.5A686 C691 P692 I693 G694 S695 K702A686-N698 HydrophobicContact CB-CB 3.87Å; A686-N698 VanDerWaalsContact CB-CG 3.47Å; C691-N698 HydrophobicContact CB-CB 3.76Å; C691-N698 PolarHBondContact O-ND2 3.18Å; P692-N698 WeakPolarHBondContact O-CB 3.49Å; I693-N698 PolarHBondContact N-ND2 3.16Å; G694-N698 PolarHBondContact N-O 2.95Å; S695-N698 CarbonylContact O-C 3.6Å; S695-N698 PolarHBondContact O-N 2.87Å; S695-N698 WeakPolarHBondContact OG-CB 3.24Å; S695-N698 PolarHBondContact OG-N 3.06Å; N698-K702 VanDerWaalsContact OD1-CE 3.26Å; N698-K702 WeakPolarHBondContact OD1-CE 3.42Å; N698-K702 PolarHBondContact OD1-NZ 3.28Å
699P94.7Very high92.2Very high14 Ų1459.4 Ų59.49%0.09132%0.323CS..  trans-61.4148179.526.9-35.1000111.6S680 K701 K702S680-P699 VanDerWaalsContact O-CD 3.28Å; S680-P699 WeakPolarHBondContact O-CD 3.08Å; S680-P699 WeakPolarHBondContact O-CG 3.41Å; P699-K701 VanDerWaalsContact C-N 3.32Å; P699-K701 PolarHBondContact O-N 2.93Å; P699-K702 HydrophobicContact CG-CG 4.28Å; P699-K702 PolarHBondContact O-NZ 3.12Å
700V94.4Very high91.9Very high121 Ų12161.4 Ų61.473%0.73334%0.336SS*.SBendtrans-57.8-45.9177.7-178.80000110.9I693I693-V700 HydrophobicContact CG2-CG2 3.87Å
701K91.6Very high91.6Very high170 Ų17056.4 Ų56.474%0.73931%0.31SS*.SBendtrans-99.9113.3176.6-174.7177.2-179.61780109.5P699P699-K701 VanDerWaalsContact C-N 3.32Å; P699-K701 PolarHBondContact O-N 2.93Å
702K91.4Very high91.1Very high48 Ų4859.7 Ų59.721%0.20933%0.327CS..  trans-104.5155.3172.3-63.5-176.7-175.8640111N698 P699N698-K702 VanDerWaalsContact OD1-CE 3.26Å; N698-K702 WeakPolarHBondContact OD1-CE 3.42Å; N698-K702 PolarHBondContact OD1-NZ 3.28Å; P699-K702 HydrophobicContact CG-CG 4.28Å; P699-K702 PolarHBondContact O-NZ 3.12Å
703C87.9Confident90.6Very high9 Ų957.9 Ų57.96%0.06131%0.311CS..  trans-103.6111.6173.3-55.60000109.4C582 L583 N681C582-C703 HydrophobicContact CB-CB 3.74Å; C582-C703 WeakPolarHBondContact CB-SG 3.38Å; C582-C703 PolarHBondContact O-SG 3.33Å; C582-C703 WeakPolarHBondContact SG-CA 3.19Å; C582-C703 WeakPolarHBondContact SG-CB 3.18Å; C582-C703 CovalentContact SG-SG 2.04Å; C582-C703 PolarHBondContact SG-SG 3Å; L583-C703 HydrophobicContact CD2-CB 3.46Å; L583-C703 VanDerWaalsContact CD2-CB 3.46Å; L583-C703 HydrophobicContact CG-CB 4.01Å; N681-C703 WeakPolarHBondContact OD1-CB 3.35Å; N681-C703 PolarHBondContact OD1-N 2.98Å
704K79.9Confident90.1Very high128 Ų12851.9 Ų51.956%0.55728%0.281SS*.  trans-98.6123.3175.4-64.8-172.4177.4-1720109.6Q579 E683Q579-K704 PolarHBondContact NE2-O 3.41Å; E683-K704 IonicContact OE2-NZ 2.73Å; E683-K704 PolarHBondContact OE2-NZ 3.1Å
705L75.6Confident89.6Confident11 Ų1152 Ų526%0.05826%0.261CS..  trans-93.7-50.1176.9-66.7179.8000112.4W419 Q579 L583 L607 N610W419-L705 PolarHBondContact NE1-O 3.26Å; Q579-L705 HydrophobicContact CB-CD2 4.49Å; Q579-L705 HydrophobicContact CG-CD2 3.47Å; Q579-L705 VanDerWaalsContact CG-CD2 3.47Å; L583-L705 HydrophobicContact CD1-CD1 3.76Å; L583-L705 HydrophobicContact CD1-CD2 3.64Å; L583-L705 HydrophobicContact CD1-CG 3.88Å; L583-L705 HydrophobicContact CG-CD2 4.42Å; L607-L705 HydrophobicContact CD1-CD1 3.5Å; L607-L705 HydrophobicContact CD1-CD2 3.51Å; L607-L705 HydrophobicContact CD1-CG 4.11Å; L607-L705 HydrophobicContact CG-CD1 4.29Å; N610-L705 HydrophobicContact CB-CD1 3.49Å; N610-L705 VanDerWaalsContact CB-CD1 3.49Å; N610-L705 HydrophobicContact CB-CG 4.39Å
706W75.5Confident89Confident38 Ų3855.8 Ų55.814%0.14428%0.278CS..  trans-131.50-169.3-60.6103000110.9V414 A417 W419 L420 M547 I550 G611 K614V414-W706 HydrophobicContact CB-CZ3 4.38Å; V414-W706 HydrophobicContact CG2-CE3 4.28Å; V414-W706 HydrophobicContact CG2-CH2 4.14Å; V414-W706 HydrophobicContact CG2-CZ3 3.55Å; A417-W706 HydrophobicContact CB-CE3 4.5Å; A417-W706 HydrophobicContact CB-CZ3 4.44Å; W419-W706 HydrophobicContact CH2-CH2 4.37Å; W419-W706 AromaticContact CZ2-CH2 3.93Å; W419-W706 HydrophobicContact CZ2-CH2 3.93Å; W419-W706 HydrophobicContact CZ2-CZ2 4.21Å; W419-W706 HydrophobicContact CZ2-CZ3 4.11Å; L420-W706 HydrophobicContact CD1-CH2 4.34Å; L420-W706 HydrophobicContact CD1-CZ3 4.08Å; M547-W706 HydrophobicContact SD-CZ2 4.3Å; I550-W706 HydrophobicContact CD1-CH2 3.49Å; I550-W706 VanDerWaalsContact CD1-CH2 3.49Å; I550-W706 HydrophobicContact CD1-CZ2 3.48Å; I550-W706 VanDerWaalsContact CD1-CZ2 3.48Å; I550-W706 HydrophobicContact CD1-CZ3 4.42Å; I550-W706 HydrophobicContact CG1-CH2 4.38Å; I550-W706 HydrophobicContact CG1-CZ2 4.13Å; G611-W706 VanDerWaalsContact CA-CD1 3.49Å; K614-W706 HydrophobicContact CG-CB 4.29Å; K614-W706 WeakPolarHBondContact CG-O 3.27Å

Retrieved 706 of 706 residues in 182.8 ms (Link to these results)

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