A0A5K4F702_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F702, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 702 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
1M43Very low44.9Very low200 Ų200141.1 Ų141.199%0.98568%0.68SS**  0-43.90-98.4161.365.800114.4K3 Q4 L5M1-K3 PolarHBondContact O-N 2.92Å; M1-Q4 PolarHBondContact O-N 2.87Å; M1-L5 PolarHBondContact O-N 3.36Å
2S41.1Very low44.8Very low95 Ų95141.9 Ų141.966%0.66467%0.672SS**Hα-helixtrans-65.2-31.9-175.575.10000115.2Q4 L5 N6S2-Q4 VanDerWaalsContact C-N 3.32Å; S2-Q4 PolarHBondContact O-N 3.27Å; S2-L5 PolarHBondContact O-N 3.01Å; S2-N6 PolarHBondContact O-N 3.09Å
3K43.8Very low44.7Very low185 Ų185133.2 Ų133.280%0.80464%0.643SS**Hα-helixtrans-67-26.7176.1-77.9-173.7176.4179.80114.4M1M1-K3 PolarHBondContact O-N 2.92Å
4Q44.9Very low44.9Very low153 Ų153131.4 Ų131.472%0.71564%0.637SS**Hα-helixtrans-81.8-32.1177.3-106.8-178.6-10.400112.3M1 S2 K7 R8M1-Q4 PolarHBondContact O-N 2.87Å; S2-Q4 VanDerWaalsContact C-N 3.32Å; S2-Q4 PolarHBondContact O-N 3.27Å; Q4-K7 PolarHBondContact O-N 3.33Å; Q4-R8 PolarHBondContact O-N 2.93Å
5L44.4Very low44.6Very low99 Ų99129.3 Ų129.352%0.51863%0.629SS.*Hα-helixtrans-64.6-41172.6-94.5135000111.7M1 S2 K7 R8 F9M1-L5 PolarHBondContact O-N 3.36Å; S2-L5 PolarHBondContact O-N 3.01Å; L5-K7 PolarHBondContact O-N 3.04Å; L5-R8 PolarHBondContact O-N 3.15Å; L5-F9 HydrophobicContact CD2-CE2 4.38Å; L5-F9 PolarHBondContact O-N 3.18Å
6N44.8Very low44.7Very low119 Ų119127.4 Ų127.464%0.63662%0.621SS**Hα-helixtrans-65-36.8177.2-102.27.8000113.5S2 R8 V10S2-N6 PolarHBondContact O-N 3.09Å; N6-R8 PolarHBondContact O-N 3.03Å; N6-V10 WeakPolarHBondContact O-CG2 3.45Å; N6-V10 PolarHBondContact O-N 2.84Å; N6-V10 VanDerWaalsContact O-N 3.11Å
7K45.2Very low44.6Very low162 Ų162126.5 Ų126.570%0.70462%0.619SS**Hα-helixtrans-65.9-37.6175.3-91.9-171.5173.8-175.20112.6Q4 L5 Q11Q4-K7 PolarHBondContact O-N 3.33Å; L5-K7 PolarHBondContact O-N 3.04Å; K7-Q11 PolarHBondContact O-N 3Å; K7-Q11 VanDerWaalsContact O-N 3.07Å
8R45.1Very low44.6Very low171 Ų171122.3 Ų122.365%0.64560%0.604SS**Hα-helixtrans-70.8-41.8177.3-75.1-171.1173.7-177.41.2111.8Q4 L5 N6 V10 Q11 Y12Q4-R8 PolarHBondContact O-N 2.93Å; L5-R8 PolarHBondContact O-N 3.15Å; N6-R8 PolarHBondContact O-N 3.03Å; R8-V10 VanDerWaalsContact C-N 3.3Å; R8-V10 PolarHBondContact O-N 3.22Å; R8-Q11 PolarHBondContact O-N 3.1Å; R8-Y12 HydrophobicContact CB-CD2 4.36Å; R8-Y12 HydrophobicContact CB-CE2 4.42Å; R8-Y12 WeakPolarHBondContact O-CD2 3.44Å; R8-Y12 PolarHBondContact O-N 2.89Å
9F44.7Very low44.6Very low148 Ų148119 Ų11965%0.64959%0.594SS**Hα-helixtrans-61.7-37.9175.6-98.6-83.1000112.7L5 G13L5-F9 HydrophobicContact CD2-CE2 4.38Å; L5-F9 PolarHBondContact O-N 3.18Å; F9-G13 PolarHBondContact O-N 3.25Å
10V54.9Low44.5Very low90 Ų90118.4 Ų118.455%0.54559%0.593SS.*Hα-helixtrans-69.1-40.3175.1175.30000111.6N6 R8 G13 I14N6-V10 WeakPolarHBondContact O-CG2 3.45Å; N6-V10 PolarHBondContact O-N 2.84Å; N6-V10 VanDerWaalsContact O-N 3.11Å; R8-V10 VanDerWaalsContact C-N 3.3Å; R8-V10 PolarHBondContact O-N 3.22Å; V10-G13 PolarHBondContact O-N 2.99Å; V10-I14 HydrophobicContact CG1-CD1 3.82Å; V10-I14 HydrophobicContact CG1-CG1 4.5Å; V10-I14 WeakPolarHBondContact O-CD1 3.44Å; V10-I14 WeakPolarHBondContact O-CG1 3.42Å; V10-I14 PolarHBondContact O-N 3.01Å
11Q41.9Very low44.7Very low130 Ų130117.3 Ų117.361%0.60759%0.592SS**Hα-helixtrans-66.4-40.9176.1-84-178.3-4200113.2K7 R8 I14 L15K7-Q11 PolarHBondContact O-N 3Å; K7-Q11 VanDerWaalsContact O-N 3.07Å; R8-Q11 PolarHBondContact O-N 3.1Å; Q11-I14 PolarHBondContact O-N 3.41Å; Q11-L15 PolarHBondContact O-N 3.38Å; Q11-L15 VanDerWaalsContact O-N 3.09Å
12Y44.3Very low44.9Very low151 Ų151113 Ų11359%0.59257%0.572SS**Hα-helixtrans-72.2-35.6175.7-76.7-69.8000112.1R8 I14 L15 I16R8-Y12 HydrophobicContact CB-CD2 4.36Å; R8-Y12 HydrophobicContact CB-CE2 4.42Å; R8-Y12 WeakPolarHBondContact O-CD2 3.44Å; R8-Y12 PolarHBondContact O-N 2.89Å; Y12-I14 VanDerWaalsContact C-N 3.34Å; Y12-I14 PolarHBondContact O-N 3.27Å; Y12-L15 PolarHBondContact O-N 2.97Å; Y12-I16 WeakPolarHBondContact O-CB 3.41Å; Y12-I16 VanDerWaalsContact O-CG1 3.26Å; Y12-I16 WeakPolarHBondContact O-CG1 3.37Å; Y12-I16 PolarHBondContact O-N 3.46Å
13G42.4Very low45.2Very low28 Ų28113.7 Ų113.729%0.28957%0.567SS.*Hα-helixtrans-60.4-42.9172.100000112.1F9 V10 I16 I17F9-G13 PolarHBondContact O-N 3.25Å; V10-G13 PolarHBondContact O-N 2.99Å; G13-I16 PolarHBondContact O-N 3.32Å; G13-I17 WeakPolarHBondContact O-CB 3.06Å; G13-I17 WeakPolarHBondContact O-CD1 3.49Å; G13-I17 WeakPolarHBondContact O-CG1 3.32Å; G13-I17 PolarHBondContact O-N 2.69Å
14I47.4Very low45.3Very low109 Ų109108.1 Ų108.156%0.55955%0.551SS**Hα-helixtrans-67.5-38.4177.2-67.4165.8000111.5V10 Q11 Y12 S18V10-I14 HydrophobicContact CG1-CD1 3.82Å; V10-I14 HydrophobicContact CG1-CG1 4.5Å; V10-I14 WeakPolarHBondContact O-CD1 3.44Å; V10-I14 WeakPolarHBondContact O-CG1 3.42Å; V10-I14 PolarHBondContact O-N 3.01Å; Q11-I14 PolarHBondContact O-N 3.41Å; Y12-I14 VanDerWaalsContact C-N 3.34Å; Y12-I14 PolarHBondContact O-N 3.27Å; I14-S18 WeakPolarHBondContact O-CB 3.25Å; I14-S18 PolarHBondContact O-N 2.99Å; I14-S18 PolarHBondContact O-OG 2.81Å
15L41.4Very low45.4Very low99 Ų99102 Ų10252%0.51853%0.529SS..Hα-helixtrans-69.5-36.8176.3-86.9157.8000113Q11 Y12 S18 S19Q11-L15 PolarHBondContact O-N 3.38Å; Q11-L15 VanDerWaalsContact O-N 3.09Å; Y12-L15 PolarHBondContact O-N 2.97Å; L15-S18 WeakPolarHBondContact CA-OG 3.38Å; L15-S18 PolarHBondContact O-OG 3.24Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 2.97Å; L15-S19 PolarHBondContact O-OG 2.81Å
16I45.9Very low45.4Very low99 Ų99100.4 Ų100.451%0.50853%0.526SS..Hα-helixtrans-72.8-38.9177.6-68.7167.9000110.3Y12 G13 S19 L20Y12-I16 WeakPolarHBondContact O-CB 3.41Å; Y12-I16 VanDerWaalsContact O-CG1 3.26Å; Y12-I16 WeakPolarHBondContact O-CG1 3.37Å; Y12-I16 PolarHBondContact O-N 3.46Å; G13-I16 PolarHBondContact O-N 3.32Å; I16-S19 PolarHBondContact O-N 3.01Å; I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 WeakPolarHBondContact O-CB 3.2Å; I16-L20 PolarHBondContact O-N 3.28Å
17I43.4Very low45.6Very low112 Ų11298.1 Ų98.157%0.57452%0.519SS*.Hα-helixtrans-67.5-39174.5-65.6167000110.6G13 L20 V21G13-I17 WeakPolarHBondContact O-CB 3.06Å; G13-I17 WeakPolarHBondContact O-CD1 3.49Å; G13-I17 WeakPolarHBondContact O-CG1 3.32Å; G13-I17 PolarHBondContact O-N 2.69Å; I17-L20 PolarHBondContact O-N 3.22Å; I17-V21 HydrophobicContact CG2-CG2 4.16Å; I17-V21 VanDerWaalsContact O-CB 3.28Å; I17-V21 WeakPolarHBondContact O-CB 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 2.95Å
18S45Very low45.5Very low52 Ų5296.4 Ų96.436%0.36451%0.512SS..Hα-helixtrans-67.2-3717565.30000112.3I14 L15 I22I14-S18 WeakPolarHBondContact O-CB 3.25Å; I14-S18 PolarHBondContact O-N 2.99Å; I14-S18 PolarHBondContact O-OG 2.81Å; L15-S18 WeakPolarHBondContact CA-OG 3.38Å; L15-S18 PolarHBondContact O-OG 3.24Å; S18-I22 WeakPolarHBondContact O-CB 3.36Å; S18-I22 WeakPolarHBondContact O-CD1 3.49Å; S18-I22 WeakPolarHBondContact O-CG1 3.49Å; S18-I22 PolarHBondContact O-N 3.34Å
19S44.5Very low45.6Very low59 Ų5993.5 Ų93.541%0.41351%0.508SS..Hα-helixtrans-67.1-43.7176.1-52.40000112.1L15 I16 I22 I23L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 2.97Å; L15-S19 PolarHBondContact O-OG 2.81Å; I16-S19 PolarHBondContact O-N 3.01Å; S19-I22 PolarHBondContact O-N 3.46Å; S19-I23 VanDerWaalsContact O-CG1 3.32Å; S19-I23 WeakPolarHBondContact O-CG1 3.37Å; S19-I23 PolarHBondContact O-N 2.97Å
20L42.9Very low45.8Very low107 Ų10791.8 Ų91.856%0.5650%0.504SS*.Hα-helixtrans-70.8-33.8177.3-85.2156.3000112.2I16 I17 I22 I23 S24I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 WeakPolarHBondContact O-CB 3.2Å; I16-L20 PolarHBondContact O-N 3.28Å; I17-L20 PolarHBondContact O-N 3.22Å; L20-I22 VanDerWaalsContact C-N 3.33Å; L20-I23 PolarHBondContact O-N 3.47Å; L20-S24 WeakPolarHBondContact O-CB 3.26Å; L20-S24 PolarHBondContact O-N 3.01Å
21V48.6Very low45.3Very low96 Ų9694.6 Ų94.658%0.58251%0.506SS*.Hα-helixtrans-70.4-30.4172.5172.60000111.2I17 G25I17-V21 HydrophobicContact CG2-CG2 4.16Å; I17-V21 VanDerWaalsContact O-CB 3.28Å; I17-V21 WeakPolarHBondContact O-CB 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 2.95Å; V21-G25 WeakPolarHBondContact O-CA 3.3Å; V21-G25 PolarHBondContact O-N 3Å
22I47.3Very low45.1Very low109 Ų10993.3 Ų93.356%0.55950%0.498SS*.Hα-helixtrans-73-39.2172.5-68163.7000111.1S18 S19 L20 G25 C26S18-I22 WeakPolarHBondContact O-CB 3.36Å; S18-I22 WeakPolarHBondContact O-CD1 3.49Å; S18-I22 WeakPolarHBondContact O-CG1 3.49Å; S18-I22 PolarHBondContact O-N 3.34Å; S19-I22 PolarHBondContact O-N 3.46Å; L20-I22 VanDerWaalsContact C-N 3.33Å; I22-G25 PolarHBondContact O-N 3.35Å; I22-C26 VanDerWaalsContact O-CB 3.27Å; I22-C26 WeakPolarHBondContact O-CB 3.5Å; I22-C26 PolarHBondContact O-N 3.32Å; I22-C26 PolarHBondContact O-SG 2.7Å
23I45.9Very low45.1Very low110 Ų11090.2 Ų90.256%0.56450%0.495SS*.Hα-helixtrans-76.2-41.9-179.9-64.4166.2000111.6S19 L20 G25 S27S19-I23 VanDerWaalsContact O-CG1 3.32Å; S19-I23 WeakPolarHBondContact O-CG1 3.37Å; S19-I23 PolarHBondContact O-N 2.97Å; L20-I23 PolarHBondContact O-N 3.47Å; I23-G25 VanDerWaalsContact C-N 3.33Å; I23-S27 WeakPolarHBondContact O-CB 3.41Å; I23-S27 PolarHBondContact O-N 2.86Å; I23-S27 PolarHBondContact O-OG 3.48Å
24S47Very low45.3Very low67 Ų6795 Ų9547%0.46951%0.513SS..Hα-helixtrans-63.9-40.6169.4170.50000110.4L20 S27 F28L20-S24 WeakPolarHBondContact O-CB 3.26Å; L20-S24 PolarHBondContact O-N 3.01Å; S24-S27 PolarHBondContact O-N 2.99Å; S24-F28 VanDerWaalsContact O-CB 3.31Å; S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 PolarHBondContact O-N 3.26Å
25G46.4Very low45.1Very low24 Ų2493.4 Ų93.425%0.24751%0.509CS..Hα-helixtrans-66-40.8177.400000112.6V21 I22 I23 I29V21-G25 WeakPolarHBondContact O-CA 3.3Å; V21-G25 PolarHBondContact O-N 3Å; I22-G25 PolarHBondContact O-N 3.35Å; I23-G25 VanDerWaalsContact C-N 3.33Å; G25-I29 VanDerWaalsContact O-CB 3.24Å; G25-I29 WeakPolarHBondContact O-CB 3.48Å; G25-I29 WeakPolarHBondContact O-CD1 3.21Å; G25-I29 WeakPolarHBondContact O-CG1 3.32Å; G25-I29 PolarHBondContact O-N 3.38Å
26C45.2Very low44.9Very low67 Ų6795.8 Ų95.845%0.45352%0.515SS..Hα-helixtrans-69.4-37.6174.3-77.20000111.7I22 I29 I30I22-C26 VanDerWaalsContact O-CB 3.27Å; I22-C26 WeakPolarHBondContact O-CB 3.5Å; I22-C26 PolarHBondContact O-N 3.32Å; I22-C26 PolarHBondContact O-SG 2.7Å; C26-I29 PolarHBondContact O-N 2.91Å; C26-I30 WeakPolarHBondContact O-CB 3.48Å; C26-I30 WeakPolarHBondContact O-CD1 3.4Å; C26-I30 WeakPolarHBondContact O-CG1 3.35Å; C26-I30 PolarHBondContact O-N 3.49Å
27S47.7Very low44.5Very low70 Ų7095.8 Ų95.849%0.4952%0.52SS..Hα-helixtrans-70.6-38.2175.8-54.30000111.7I23 S24 I30 Y31I23-S27 WeakPolarHBondContact O-CB 3.41Å; I23-S27 PolarHBondContact O-N 2.86Å; I23-S27 PolarHBondContact O-OG 3.48Å; S24-S27 PolarHBondContact O-N 2.99Å; S27-I30 PolarHBondContact O-N 3.25Å; S27-Y31 WeakPolarHBondContact O-CB 3.48Å; S27-Y31 PolarHBondContact O-N 3.26Å
28F44.1Very low44Very low127 Ų12793.2 Ų93.256%0.55752%0.521SS*.Hα-helixtrans-70.8-35.5172.2-109-88.5000111.9S24 Y31 F32S24-F28 VanDerWaalsContact O-CB 3.31Å; S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 PolarHBondContact O-N 3.26Å; F28-Y31 PolarHBondContact O-N 2.88Å; F28-F32 HydrophobicContact CD1-CD2 4.21Å; F28-F32 VanDerWaalsContact O-CB 3.23Å; F28-F32 WeakPolarHBondContact O-CB 3.14Å; F28-F32 PolarHBondContact O-N 3.07Å
29I46.5Very low43.4Very low109 Ų10999 Ų9956%0.55954%0.542SS*.Hα-helixtrans-67.5-40174.4-72.4164.6000109.7G25 C26 V33G25-I29 VanDerWaalsContact O-CB 3.24Å; G25-I29 WeakPolarHBondContact O-CB 3.48Å; G25-I29 WeakPolarHBondContact O-CD1 3.21Å; G25-I29 WeakPolarHBondContact O-CG1 3.32Å; G25-I29 PolarHBondContact O-N 3.38Å; C26-I29 PolarHBondContact O-N 2.91Å; I29-V33 HydrophobicContact CG2-CG2 4.04Å; I29-V33 WeakPolarHBondContact O-CB 3.34Å; I29-V33 WeakPolarHBondContact O-CG2 3.41Å; I29-V33 PolarHBondContact O-N 3.29Å
30I48.7Very low43Very low112 Ų112101.4 Ų101.457%0.57456%0.556SS**Hα-helixtrans-64.9-42.6174.5-67.7164.9000110.4C26 S27 L34C26-I30 WeakPolarHBondContact O-CB 3.48Å; C26-I30 WeakPolarHBondContact O-CD1 3.4Å; C26-I30 WeakPolarHBondContact O-CG1 3.35Å; C26-I30 PolarHBondContact O-N 3.49Å; S27-I30 PolarHBondContact O-N 3.25Å; I30-L34 HydrophobicContact CG2-CD1 4.17Å; I30-L34 WeakPolarHBondContact O-CB 2.95Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.2Å
31Y44.3Very low42.5Very low150 Ų150106.2 Ų106.259%0.58857%0.573SS**Hα-helixtrans-70.8-40178-159.1-93.8000112.9S27 F28 L34 T35S27-Y31 WeakPolarHBondContact O-CB 3.48Å; S27-Y31 PolarHBondContact O-N 3.26Å; F28-Y31 PolarHBondContact O-N 2.88Å; Y31-L34 CarbonylContact O-C 3.59Å; Y31-L34 PolarHBondContact O-N 2.81Å; Y31-T35 HydrophobicContact CD1-CG2 3.97Å; Y31-T35 HydrophobicContact CE1-CG2 3.64Å; Y31-T35 WeakPolarHBondContact O-CG2 3.25Å; Y31-T35 PolarHBondContact O-N 3.46Å; Y31-T35 PolarHBondContact O-OG1 3.07Å
32F37.9Very low41.8Very low102 Ų102106.2 Ų106.245%0.44757%0.569SS.*Hα-helixtrans-73.5-30.4176.8-122.8-99.3000112.4F28 L34 T35 K36F28-F32 HydrophobicContact CD1-CD2 4.21Å; F28-F32 VanDerWaalsContact O-CB 3.23Å; F28-F32 WeakPolarHBondContact O-CB 3.14Å; F28-F32 PolarHBondContact O-N 3.07Å; F32-L34 VanDerWaalsContact C-N 3.25Å; F32-T35 PolarHBondContact O-N 3.28Å; F32-K36 HydrophobicContact CD1-CB 3.74Å; F32-K36 HydrophobicContact CD1-CD 4.17Å; F32-K36 HydrophobicContact CD1-CG 3.79Å; F32-K36 HydrophobicContact CE1-CB 4.05Å; F32-K36 HydrophobicContact CE1-CD 3.6Å; F32-K36 HydrophobicContact CE1-CG 3.57Å; F32-K36 HydrophobicContact CZ-CD 4.5Å; F32-K36 HydrophobicContact CZ-CG 4.4Å; F32-K36 WeakPolarHBondContact O-CA 3.11Å; F32-K36 WeakPolarHBondContact O-CB 3.43Å; F32-K36 PolarHBondContact O-N 3.04Å
33V45.6Very low41.2Very low86 Ų86108.6 Ų108.652%0.52158%0.583SS.*Hα-helixtrans-66-34.1169.4169.10000110I29 T37I29-V33 HydrophobicContact CG2-CG2 4.04Å; I29-V33 WeakPolarHBondContact O-CB 3.34Å; I29-V33 WeakPolarHBondContact O-CG2 3.41Å; I29-V33 PolarHBondContact O-N 3.29Å; V33-T37 WeakPolarHBondContact O-CG2 3.14Å; V33-T37 PolarHBondContact O-OG1 3.34Å
34L45.9Very low40.8Very low129 Ų129106.2 Ų106.268%0.67558%0.579SS**Hα-helixtrans-77.2-26.4174.1-70.2169.5000114I30 Y31 F32I30-L34 HydrophobicContact CG2-CD1 4.17Å; I30-L34 WeakPolarHBondContact O-CB 2.95Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.2Å; Y31-L34 CarbonylContact O-C 3.59Å; Y31-L34 PolarHBondContact O-N 2.81Å; F32-L34 VanDerWaalsContact C-N 3.25Å
35T44.3Very low40.1Very low75 Ų75107.4 Ų107.446%0.4658%0.584SS.*Hα-helixtrans-108-9.6-178.664.30000115.8Y31 F32Y31-T35 HydrophobicContact CD1-CG2 3.97Å; Y31-T35 HydrophobicContact CE1-CG2 3.64Å; Y31-T35 WeakPolarHBondContact O-CG2 3.25Å; Y31-T35 PolarHBondContact O-N 3.46Å; Y31-T35 PolarHBondContact O-OG1 3.07Å; F32-T35 PolarHBondContact O-N 3.28Å
36K35.5Very low39.3Very low150 Ų150116.1 Ų116.165%0.65261%0.611SS**Hα-helixtrans-12613.6179.4-90.1-130.8-172.8178.20115.8F32 G38F32-K36 HydrophobicContact CD1-CB 3.74Å; F32-K36 HydrophobicContact CD1-CD 4.17Å; F32-K36 HydrophobicContact CD1-CG 3.79Å; F32-K36 HydrophobicContact CE1-CB 4.05Å; F32-K36 HydrophobicContact CE1-CD 3.6Å; F32-K36 HydrophobicContact CE1-CG 3.57Å; F32-K36 HydrophobicContact CZ-CD 4.5Å; F32-K36 HydrophobicContact CZ-CG 4.4Å; F32-K36 WeakPolarHBondContact O-CA 3.11Å; F32-K36 WeakPolarHBondContact O-CB 3.43Å; F32-K36 PolarHBondContact O-N 3.04Å; K36-G38 VanDerWaalsContact O-CA 3.3Å; K36-G38 WeakPolarHBondContact O-CA 3.23Å; K36-G38 PolarHBondContact O-N 3.42Å; K36-G38 VanDerWaalsContact O-N 3.17Å
37T39.1Very low38.6Very low98 Ų98118.7 Ų118.760%0.60162%0.619SS**  trans-77.467.9144.751.40000106.6V33 E39V33-T37 WeakPolarHBondContact O-CG2 3.14Å; V33-T37 PolarHBondContact O-OG1 3.34Å; T37-E39 VanDerWaalsContact C-N 3.32Å; T37-E39 PolarHBondContact O-N 2.69Å
38G31.6Very low37.7Very low58 Ų58119.8 Ų119.860%0.59862%0.624SS**  39.674.868.600000106.7K36K36-G38 VanDerWaalsContact O-CA 3.3Å; K36-G38 WeakPolarHBondContact O-CA 3.23Å; K36-G38 PolarHBondContact O-N 3.42Å; K36-G38 VanDerWaalsContact O-N 3.17Å
39E32.9Very low37Very low173 Ų173121.1 Ų121.181%0.80864%0.638SS**  trans-32.6119.3-179.1-79.5179.7147.900108.1T37 K41T37-E39 VanDerWaalsContact C-N 3.32Å; T37-E39 PolarHBondContact O-N 2.69Å; E39-K41 PolarHBondContact O-N 3.38Å
40P36.5Very low36.3Very low111 Ų111120.9 Ų120.972%0.72164%0.637SS**  trans-53.7112.2177.720.2-29.4000105.6N42P40-N42 WeakPolarHBondContact O-CA 3.42Å; P40-N42 PolarHBondContact O-N 3.45Å
41K32.7Very low35.6Very low208 Ų208122 Ų12290%0.90465%0.65SS**  trans-40.7109.1178-83.8-176.3175.8-179.10106.3E39 L43E39-K41 PolarHBondContact O-N 3.38Å; K41-L43 PolarHBondContact O-N 2.97Å
42N33.1Very low35.1Very low95 Ų95119.2 Ų119.251%0.50865%0.649SS.*  trans-20.496.8-170.1-69.9-47.7000113.4P40 T45P40-N42 WeakPolarHBondContact O-CA 3.42Å; P40-N42 PolarHBondContact O-N 3.45Å; N42-T45 HydrophobicContact CB-CG2 3.53Å; N42-T45 WeakPolarHBondContact CB-OG1 3.42Å; N42-T45 PolarHBondContact O-N 3.01Å; N42-T45 PolarHBondContact O-OG1 3.44Å
43L35Very low34.9Very low160 Ų160120 Ų12084%0.83866%0.657SS**SBendtrans-85.610.3146.9-143.881.2000110.5K41K41-L43 PolarHBondContact O-N 2.97Å
44A36.7Very low34.8Very low59 Ų59122.3 Ų122.349%0.48868%0.677SS.*SBendtrans-82.3-8.6156.300000112.6Y46 L47A44-Y46 VanDerWaalsContact C-N 3.28Å; A44-Y46 PolarHBondContact O-N 2.67Å; A44-L47 PolarHBondContact O-N 3.31Å; A44-L47 VanDerWaalsContact O-N 3.17Å
45T32.3Very low35Very low93 Ų93121.2 Ų121.257%0.57168%0.676SS**THydrogen-bonded Turntrans-8714.1175.642.80000114.8N42N42-T45 HydrophobicContact CB-CG2 3.53Å; N42-T45 WeakPolarHBondContact CB-OG1 3.42Å; N42-T45 PolarHBondContact O-N 3.01Å; N42-T45 PolarHBondContact O-OG1 3.44Å
46Y30.6Very low35.5Very low207 Ų207121.5 Ų121.581%0.81267%0.674SS**THydrogen-bonded Turntrans-122.933.2153.6-80.2-79.9000111.6A44 P48A44-Y46 VanDerWaalsContact C-N 3.28Å; A44-Y46 PolarHBondContact O-N 2.67Å; Y46-P48 VanDerWaalsContact C-N 3.33Å; Y46-P48 WeakPolarHBondContact O-CD 3.39Å
47L30.3Very low37.3Very low121 Ų121117.2 Ų117.263%0.63466%0.663SS**SBendtrans-85.188.3138.1-72.4163.7000104.3A44 N49A44-L47 PolarHBondContact O-N 3.31Å; A44-L47 VanDerWaalsContact O-N 3.17Å; L47-N49 PolarHBondContact O-N 3.27Å
48P27.8Very low39.6Very low92 Ų92118.8 Ų118.860%0.59767%0.668SS**  trans-56123.5165.228.5-32.1000104.7Y46 D50Y46-P48 VanDerWaalsContact C-N 3.33Å; Y46-P48 WeakPolarHBondContact O-CD 3.39Å; P48-D50 HydrophobicContact CB-CB 4.09Å; P48-D50 HydrophobicContact CG-CB 4.38Å; P48-D50 PolarHBondContact O-N 2.94Å
49N30Very low42.6Very low156 Ų156116 Ų11683%0.83464%0.639SS**  trans-64.849.4158.6-96.2-11.5000108.4L47 T51L47-N49 PolarHBondContact O-N 3.27Å; N49-T51 PolarHBondContact O-N 2.89Å
50D31.6Very low45.7Very low103 Ų103107.8 Ų107.855%0.55160%0.601SS**  trans-74.384.3169.2-149-8.8000105.2P48 T52P48-D50 HydrophobicContact CB-CB 4.09Å; P48-D50 HydrophobicContact CG-CB 4.38Å; P48-D50 PolarHBondContact O-N 2.94Å; D50-T52 VanDerWaalsContact CG-OG1 3.29Å; D50-T52 PolarHBondContact O-N 3.45Å; D50-T52 WeakPolarHBondContact OD1-CB 3.45Å; D50-T52 PolarHBondContact OD1-N 3.21Å; D50-T52 PolarHBondContact OD1-OG1 3.35Å
51T34.4Very low48.5Very low137 Ų137108 Ų10884%0.8459%0.592SS**  trans-66.216.7166.238.70000111.1N49N49-T51 PolarHBondContact O-N 2.89Å
52T32.6Very low51.5Low91 Ų9199.4 Ų99.456%0.55856%0.556SS**  trans-11166.2172.9770000111.6D50D50-T52 VanDerWaalsContact CG-OG1 3.29Å; D50-T52 PolarHBondContact O-N 3.45Å; D50-T52 WeakPolarHBondContact OD1-CB 3.45Å; D50-T52 PolarHBondContact OD1-N 3.21Å; D50-T52 PolarHBondContact OD1-OG1 3.35Å
53N34.6Very low54.5Low118 Ų11894.9 Ų94.963%0.63153%0.532SS*.  trans177.185.5143-93.5-27.1000109.4T55N53-T55 WeakPolarHBondContact CB-OG1 3.45Å; N53-T55 PolarHBondContact O-N 2.64Å; N53-T55 PolarHBondContact OD1-OG1 2.91Å
54S44.2Very low57.5Low134 Ų13487.5 Ų87.594%0.93749%0.493SS*.THydrogen-bonded Turntrans-65.229.1164.152.70000113.3
55T48.5Very low60.4Low107 Ų10788.7 Ų88.766%0.65649%0.488SS*.THydrogen-bonded Turntrans-118.5-1.3-171.347.40000114N53N53-T55 WeakPolarHBondContact CB-OG1 3.45Å; N53-T55 PolarHBondContact O-N 2.64Å; N53-T55 PolarHBondContact OD1-OG1 2.91Å
56I56.3Low63.4Low80 Ų8088.7 Ų88.741%0.4148%0.48SS..SBendtrans-87.4117.3175.3-56.7178.5000109.4C60 P688I56-C60 HydrophobicContact CG2-CB 3.75Å; I56-P688 HydrophobicContact CD1-CG 4.45Å; I56-P688 HydrophobicContact CG1-CG 4.3Å
57S73.6Confident66.6Low61 Ų6179.1 Ų79.143%0.42744%0.444SS..  trans-55.7139.9173.61760000111.2A59 C60S57-A59 PolarHBondContact O-N 3.29Å; S57-A59 PolarHBondContact OG-N 3.05Å; S57-C60 WeakPolarHBondContact O-CB 3.45Å; S57-C60 PolarHBondContact O-N 3.23Å
58N86.9Confident69.8Low130 Ų13073.4 Ų73.470%0.69541%0.414SS*.Hα-helixtrans-51.3-33.9176.1-73.2-11.4000112.4C60 H61 D62N58-C60 PolarHBondContact O-N 2.95Å; N58-H61 PolarHBondContact O-N 3.19Å; N58-H61 VanDerWaalsContact O-N 3.14Å; N58-D62 PolarHBondContact O-N 2.99Å
59A93.9Very high73Confident0 Ų072 Ų720%040%0.399CS..Hα-helixtrans-57.8-28.917500000113.7S57 F63 F66 Y685S57-A59 PolarHBondContact O-N 3.29Å; S57-A59 PolarHBondContact OG-N 3.05Å; A59-F63 HydrophobicContact CB-CD2 3.76Å; A59-F63 HydrophobicContact CB-CE2 4.02Å; A59-F63 WeakPolarHBondContact O-CB 3.49Å; A59-F66 HydrophobicContact CB-CD1 4.01Å; A59-F66 HydrophobicContact CB-CD2 4.28Å; A59-F66 HydrophobicContact CB-CE1 4.3Å; A59-F66 HydrophobicContact CB-CG 4Å; A59-Y685 HydrophobicContact CB-CD1 3.64Å; A59-Y685 HydrophobicContact CB-CE1 4.16Å; A59-Y685 HydrophobicContact CB-CG 4.38Å
60C97.2Very high76Confident1 Ų169.3 Ų69.31%0.00738%0.382CS..Hα-helixtrans-89.7-9.4-178.9-61.30000113.9I56 S57 N58 C687 M693I56-C60 HydrophobicContact CG2-CB 3.75Å; S57-C60 WeakPolarHBondContact O-CB 3.45Å; S57-C60 PolarHBondContact O-N 3.23Å; N58-C60 PolarHBondContact O-N 2.95Å; C60-C687 WeakPolarHBondContact CA-SG 3.46Å; C60-C687 HydrophobicContact CB-CB 3.65Å; C60-C687 WeakPolarHBondContact CB-SG 3.46Å; C60-C687 WeakPolarHBondContact SG-CA 3.31Å; C60-C687 WeakPolarHBondContact SG-CB 3.07Å; C60-C687 CovalentContact SG-SG 2.05Å; C60-C687 PolarHBondContact SG-SG 3.11Å; C60-M693 WeakPolarHBondContact O-CB 3.22Å; C60-M693 WeakPolarHBondContact O-CG 3.32Å; C60-M693 PolarHBondContact O-N 2.75Å; C60-M693 VanDerWaalsContact O-N 3.08Å
61H95.7Very high79.1Confident115 Ų11566.6 Ų66.653%0.53236%0.364SS..Hα-helixtrans-96.1-48.9173-169.282.2000111.2N58 P692N58-H61 PolarHBondContact O-N 3.19Å; N58-H61 VanDerWaalsContact O-N 3.14Å; H61-P692 WeakPolarHBondContact O-CB 3.45Å
62D95.6Very high81.9Confident27 Ų2762.3 Ų62.314%0.14434%0.335CS..  trans-149.290.6-179.6-175.3-10.3000110.1N58 Y64 H65 F66 R668N58-D62 PolarHBondContact O-N 2.99Å; D62-Y64 VanDerWaalsContact C-N 3.29Å; D62-Y64 PolarHBondContact O-N 3.03Å; D62-Y64 PolarHBondContact OD1-N 3.45Å; D62-H65 HydrophobicContact CB-CB 4.03Å; D62-H65 PolarHBondContact O-N 2.96Å; D62-H65 PolarHBondContact OD1-N 3.47Å; D62-H65 WeakPolarHBondContact OD2-CB 3.48Å; D62-F66 PolarHBondContact O-N 3.29Å; D62-R668 VanDerWaalsContact CG-NH1 3.33Å; D62-R668 IonicContact OD1-CZ 3.87Å; D62-R668 IonicContact OD1-NH1 3.44Å; D62-R668 PolarHBondContact OD1-NH1 2.9Å; D62-R668 IonicContact OD1-NH2 2.95Å; D62-R668 PolarHBondContact OD1-NH2 3.47Å; D62-R668 IonicContact OD2-CZ 2.79Å; D62-R668 IonicContact OD2-NH1 2.83Å; D62-R668 PolarHBondContact OD2-NH1 2.86Å; D62-R668 IonicContact OD2-NH2 2.75Å; D62-R668 PolarHBondContact OD2-NH2 3.12Å
63F97.5Very high84.9Confident0 Ų063.6 Ų63.60%033%0.332CS..Hα-helixtrans-66.8-32.2-177.3-164.8-101.3000113.1A59 F66 A67 F639 A643 V671 L675 F681 Y685 M693A59-F63 HydrophobicContact CB-CD2 3.76Å; A59-F63 HydrophobicContact CB-CE2 4.02Å; A59-F63 WeakPolarHBondContact O-CB 3.49Å; F63-F66 AromaticContact CD2-CD1 3.87Å; F63-F66 HydrophobicContact CD2-CD1 3.87Å; F63-F66 AromaticContact CE2-CD1 3.53Å; F63-F66 HydrophobicContact CE2-CD1 3.53Å; F63-F66 AromaticContact CE2-CE1 3.8Å; F63-F66 HydrophobicContact CE2-CE1 3.8Å; F63-F66 HydrophobicContact CZ-CD1 4.11Å; F63-F66 HydrophobicContact CZ-CE1 4.27Å; F63-F66 PolarHBondContact O-N 3.19Å; F63-A67 HydrophobicContact CE1-CB 4.31Å; F63-A67 WeakPolarHBondContact O-CB 3.44Å; F63-A67 PolarHBondContact O-N 3.06Å; F63-F639 HydrophobicContact CE1-CB 4.46Å; F63-F639 HydrophobicContact CZ-CB 4.39Å; F63-A643 HydrophobicContact CD1-CB 3.96Å; F63-A643 HydrophobicContact CE1-CB 3.67Å; F63-V671 HydrophobicContact CD1-CG1 4.39Å; F63-L675 HydrophobicContact CB-CD1 4.18Å; F63-L675 HydrophobicContact CD1-CD1 3.18Å; F63-L675 HydrophobicContact CE1-CD1 3.77Å; F63-L675 HydrophobicContact CG-CD1 3.86Å; F63-F681 HydrophobicContact CB-CE2 4.33Å; F63-F681 HydrophobicContact CB-CZ 3.96Å; F63-F681 HydrophobicContact CD1-CE2 4.01Å; F63-F681 HydrophobicContact CD1-CZ 4.5Å; F63-F681 AromaticContact CD2-CE2 3.45Å; F63-F681 HydrophobicContact CD2-CE2 3.45Å; F63-F681 VanDerWaalsContact CD2-CE2 3.45Å; F63-F681 AromaticContact CD2-CZ 3.58Å; F63-F681 HydrophobicContact CD2-CZ 3.58Å; F63-F681 HydrophobicContact CE1-CE2 4.15Å; F63-F681 AromaticContact CE2-CE2 3.66Å; F63-F681 HydrophobicContact CE2-CE2 3.66Å; F63-F681 HydrophobicContact CE2-CZ 4.21Å; F63-F681 AromaticContact CG-CE2 3.63Å; F63-F681 HydrophobicContact CG-CE2 3.63Å; F63-F681 AromaticContact CG-CZ 3.74Å; F63-F681 HydrophobicContact CG-CZ 3.74Å; F63-F681 AromaticContact CZ-CE2 3.98Å; F63-F681 HydrophobicContact CZ-CE2 3.98Å; F63-Y685 AromaticContact CE2-CD1 3.92Å; F63-Y685 HydrophobicContact CE2-CD1 3.92Å; F63-Y685 HydrophobicContact CE2-CD2 4.02Å; F63-Y685 AromaticContact CE2-CE1 3.5Å; F63-Y685 HydrophobicContact CE2-CE1 3.5Å; F63-Y685 AromaticContact CE2-CE2 3.61Å; F63-Y685 HydrophobicContact CE2-CE2 3.61Å; F63-Y685 HydrophobicContact CE2-CG 4.16Å; F63-Y685 AromaticContact CE2-CZ 3.33Å; F63-Y685 HydrophobicContact CZ-CD2 4.47Å; F63-Y685 HydrophobicContact CZ-CE1 4.14Å; F63-Y685 AromaticContact CZ-CE2 3.71Å; F63-Y685 HydrophobicContact CZ-CE2 3.71Å; F63-Y685 AromaticContact CZ-CZ 3.51Å; F63-Y685 WeakPolarHBondContact CZ-OH 3.46Å; F63-M693 HydrophobicContact CB-CE 3.74Å; F63-M693 HydrophobicContact CB-CG 4.37Å; F63-M693 HydrophobicContact CB-SD 4.27Å
64Y97.7Very high87.7Confident6 Ų667.3 Ų67.32%0.02434%0.338CS..Hα-helixtrans-63.7-48.7177.6176-89.1000110.3D62 F66 A67 C68 E72 G648 E667 R668 V671D62-Y64 VanDerWaalsContact C-N 3.29Å; D62-Y64 PolarHBondContact O-N 3.03Å; D62-Y64 PolarHBondContact OD1-N 3.45Å; Y64-F66 VanDerWaalsContact C-N 3.33Å; Y64-F66 PolarHBondContact O-N 3.26Å; Y64-A67 PolarHBondContact O-N 3.35Å; Y64-C68 HydrophobicContact CD1-CB 4.37Å; Y64-C68 HydrophobicContact CD2-CB 4.41Å; Y64-C68 HydrophobicContact CE1-CB 3.98Å; Y64-C68 HydrophobicContact CE2-CB 4.06Å; Y64-C68 VanDerWaalsContact O-CB 3.28Å; Y64-C68 WeakPolarHBondContact O-CB 3.42Å; Y64-C68 PolarHBondContact O-N 2.87Å; Y64-E72 WeakPolarHBondContact CE1-OE1 3.5Å; Y64-E72 VanDerWaalsContact CZ-OE1 3.31Å; Y64-E72 PolarHBondContact OH-OE1 3.45Å; Y64-G648 PolarHBondContact OH-N 3.21Å; Y64-G648 PolarHBondContact OH-O 2.99Å; Y64-E667 HydrophobicContact CE2-CB 4.19Å; Y64-R668 HydrophobicContact CD1-CB 4.05Å; Y64-R668 HydrophobicContact CD1-CG 3.93Å; Y64-R668 VanDerWaalsContact CD2-CA 3.44Å; Y64-R668 HydrophobicContact CD2-CB 4.11Å; Y64-R668 HydrophobicContact CD2-CG 4.43Å; Y64-R668 HydrophobicContact CE1-CB 4.14Å; Y64-R668 HydrophobicContact CE1-CG 4.46Å; Y64-R668 HydrophobicContact CE2-CB 4.16Å; Y64-R668 HydrophobicContact CG-CB 4.02Å; Y64-R668 HydrophobicContact CG-CG 3.9Å; Y64-V671 HydrophobicContact CD2-CB 4.01Å; Y64-V671 HydrophobicContact CD2-CG1 4.38Å; Y64-V671 HydrophobicContact CD2-CG2 4.01Å
65H96.6Very high90Very high84 Ų8462.9 Ų62.939%0.38930%0.303SS..Hα-helixtrans-59.6-46.8176.4-175.6-80.9000110.9D62 A67 C68 E69D62-H65 HydrophobicContact CB-CB 4.03Å; D62-H65 PolarHBondContact O-N 2.96Å; D62-H65 PolarHBondContact OD1-N 3.47Å; D62-H65 WeakPolarHBondContact OD2-CB 3.48Å; H65-A67 VanDerWaalsContact C-N 3.28Å; H65-A67 PolarHBondContact O-N 3.46Å; H65-C68 PolarHBondContact O-N 3.35Å; H65-E69 IonicContact CE1-OE1 3.85Å; H65-E69 IonicContact CE1-OE2 3.61Å; H65-E69 PolarHBondContact CE1-OE2 3.4Å; H65-E69 IonicContact ND1-OE2 2.68Å; H65-E69 PolarHBondContact ND1-OE2 3.43Å; H65-E69 IonicContact NE2-OE1 3.75Å; H65-E69 IonicContact NE2-OE2 2.82Å; H65-E69 WeakPolarHBondContact O-CB 3.48Å; H65-E69 PolarHBondContact O-N 3.22Å
66F96.5Very high92Very high92 Ų9261.9 Ų61.940%0.40430%0.299SS..Hα-helixtrans-53.8-41.7175.3169.8-98.3000113.4A59 D62 F63 Y64 L640 Y685A59-F66 HydrophobicContact CB-CD1 4.01Å; A59-F66 HydrophobicContact CB-CD2 4.28Å; A59-F66 HydrophobicContact CB-CE1 4.3Å; A59-F66 HydrophobicContact CB-CG 4Å; D62-F66 PolarHBondContact O-N 3.29Å; F63-F66 AromaticContact CD2-CD1 3.87Å; F63-F66 HydrophobicContact CD2-CD1 3.87Å; F63-F66 AromaticContact CE2-CD1 3.53Å; F63-F66 HydrophobicContact CE2-CD1 3.53Å; F63-F66 AromaticContact CE2-CE1 3.8Å; F63-F66 HydrophobicContact CE2-CE1 3.8Å; F63-F66 HydrophobicContact CZ-CD1 4.11Å; F63-F66 HydrophobicContact CZ-CE1 4.27Å; F63-F66 PolarHBondContact O-N 3.19Å; Y64-F66 VanDerWaalsContact C-N 3.33Å; Y64-F66 PolarHBondContact O-N 3.26Å; F66-L640 HydrophobicContact CE1-CD1 4.3Å; F66-Y685 AromaticContact CE1-CE1 3.97Å; F66-Y685 HydrophobicContact CE1-CE1 3.97Å; F66-Y685 HydrophobicContact CZ-CE1 4.4Å
67A96.9Very high93.5Very high7 Ų759.8 Ų59.86%0.05829%0.288CS..Hα-helixtrans-83.5-34.6-176.600000114F63 Y64 H65 L640 A643 Q644F63-A67 HydrophobicContact CE1-CB 4.31Å; F63-A67 WeakPolarHBondContact O-CB 3.44Å; F63-A67 PolarHBondContact O-N 3.06Å; Y64-A67 PolarHBondContact O-N 3.35Å; H65-A67 VanDerWaalsContact C-N 3.28Å; H65-A67 PolarHBondContact O-N 3.46Å; A67-L640 HydrophobicContact CB-CD1 3.89Å; A67-A643 HydrophobicContact CB-CB 3.55Å; A67-Q644 HydrophobicContact CB-CG 4.34Å; A67-Q644 PolarHBondContact O-NE2 3.11Å
68C97.4Very high93.9Very high0 Ų064.4 Ų64.40%031%0.306CS..Hα-helixtrans-113.4-15.8-165.4-69.20000115Y64 H65 E70 W71 E72 C647Y64-C68 HydrophobicContact CD1-CB 4.37Å; Y64-C68 HydrophobicContact CD2-CB 4.41Å; Y64-C68 HydrophobicContact CE1-CB 3.98Å; Y64-C68 HydrophobicContact CE2-CB 4.06Å; Y64-C68 VanDerWaalsContact O-CB 3.28Å; Y64-C68 WeakPolarHBondContact O-CB 3.42Å; Y64-C68 PolarHBondContact O-N 2.87Å; H65-C68 PolarHBondContact O-N 3.35Å; C68-E70 VanDerWaalsContact C-N 3.32Å; C68-E70 PolarHBondContact O-N 2.92Å; C68-W71 WeakPolarHBondContact O-CA 3.32Å; C68-W71 WeakPolarHBondContact O-CB 3.45Å; C68-W71 PolarHBondContact O-N 3.48Å; C68-E72 WeakPolarHBondContact O-CG 3.31Å; C68-E72 PolarHBondContact O-N 3.36Å; C68-C647 WeakPolarHBondContact CA-SG 3.47Å; C68-C647 HydrophobicContact CB-CB 3.7Å; C68-C647 WeakPolarHBondContact CB-SG 3.32Å; C68-C647 WeakPolarHBondContact SG-CA 3.38Å; C68-C647 WeakPolarHBondContact SG-CB 3.49Å; C68-C647 CovalentContact SG-SG 2.04Å; C68-C647 PolarHBondContact SG-SG 2.78Å
69E94.9Very high93.7Very high62 Ų6260.7 Ų60.729%0.2930%0.298SS..Hα-helixtrans-53.9-47-175.2176.6-170.4-174.800112.4H65 W71 E72 K73H65-E69 IonicContact CE1-OE1 3.85Å; H65-E69 IonicContact CE1-OE2 3.61Å; H65-E69 PolarHBondContact CE1-OE2 3.4Å; H65-E69 IonicContact ND1-OE2 2.68Å; H65-E69 PolarHBondContact ND1-OE2 3.43Å; H65-E69 IonicContact NE2-OE1 3.75Å; H65-E69 IonicContact NE2-OE2 2.82Å; H65-E69 WeakPolarHBondContact O-CB 3.48Å; H65-E69 PolarHBondContact O-N 3.22Å; E69-W71 VanDerWaalsContact C-N 3.3Å; E69-W71 PolarHBondContact O-N 2.93Å; E69-E72 PolarHBondContact O-N 3.48Å; E69-K73 VanDerWaalsContact CD-NZ 3.27Å; E69-K73 HydrophobicContact CG-CD 4.3Å; E69-K73 WeakPolarHBondContact O-CG 3.5Å; E69-K73 PolarHBondContact O-N 3.31Å; E69-K73 WeakPolarHBondContact OE1-CE 3.47Å; E69-K73 IonicContact OE1-NZ 2.99Å; E69-K73 PolarHBondContact OE1-NZ 2.74Å
70E94.1Very high93Very high100 Ų10068.9 Ų68.947%0.46734%0.337SS..Hα-helixtrans-67.3-31.9179.3-71.9-58.7122.300112.7C68 K73 R74C68-E70 VanDerWaalsContact C-N 3.32Å; C68-E70 PolarHBondContact O-N 2.92Å; E70-K73 WeakPolarHBondContact OE1-CD 3.4Å; E70-K73 IonicContact OE1-NZ 3.36Å; E70-K73 PolarHBondContact OE1-NZ 3.27Å; E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 2.85Å
71W95.5Very high92.3Very high47 Ų4773 Ų7318%0.17836%0.359CS..Hα-helixtrans-69.1-44.3173.7-17893.8000110.6C68 E69 K73 R74 N75 W84 T85 T86 A89 C647C68-W71 WeakPolarHBondContact O-CA 3.32Å; C68-W71 WeakPolarHBondContact O-CB 3.45Å; C68-W71 PolarHBondContact O-N 3.48Å; E69-W71 VanDerWaalsContact C-N 3.3Å; E69-W71 PolarHBondContact O-N 2.93Å; W71-K73 PolarHBondContact O-N 3.4Å; W71-R74 PolarHBondContact O-N 3.5Å; W71-N75 HydrophobicContact CH2-CB 4.23Å; W71-N75 HydrophobicContact CZ2-CB 4.27Å; W71-N75 HydrophobicContact CZ3-CB 4.34Å; W71-N75 PolarHBondContact NE1-ND2 2.65Å; W71-N75 WeakPolarHBondContact O-CB 3.23Å; W71-N75 PolarHBondContact O-N 3.27Å; W71-N75 PolarHBondContact O-ND2 3.42Å; W71-W84 AromaticContact CH2-CD1 3.5Å; W71-W84 VanDerWaalsContact CH2-CD1 3.5Å; W71-W84 HydrophobicContact CH2-CG 4.44Å; W71-W84 AromaticContact CZ2-CD1 3.92Å; W71-T85 VanDerWaalsContact CH2-C 3.44Å; W71-T86 HydrophobicContact CZ2-CG2 3.97Å; W71-A89 HydrophobicContact CZ2-CB 4.37Å; W71-C647 HydrophobicContact CB-CB 4.49Å; W71-C647 HydrophobicContact CD2-CB 3.74Å; W71-C647 HydrophobicContact CE3-CB 3.49Å; W71-C647 VanDerWaalsContact CE3-CB 3.49Å; W71-C647 HydrophobicContact CG-CB 4.19Å; W71-C647 HydrophobicContact CZ3-CB 4Å
72E94.3Very high91.8Very high47 Ų4768.4 Ų68.422%0.2234%0.341CS..Hα-helixtrans-63-41.9179-69.7-172.416200112Y64 C68 E69 R74 N75Y64-E72 WeakPolarHBondContact CE1-OE1 3.5Å; Y64-E72 VanDerWaalsContact CZ-OE1 3.31Å; Y64-E72 PolarHBondContact OH-OE1 3.45Å; C68-E72 WeakPolarHBondContact O-CG 3.31Å; C68-E72 PolarHBondContact O-N 3.36Å; E69-E72 PolarHBondContact O-N 3.48Å; E72-R74 VanDerWaalsContact C-N 3.29Å; E72-R74 PolarHBondContact O-N 3.33Å; E72-N75 CarbonylContact O-C 3.5Å; E72-N75 PolarHBondContact O-N 3.02Å; E72-N75 VanDerWaalsContact O-N 3.16Å
73K94.2Very high91.6Very high117 Ų11768.8 Ų68.851%0.50935%0.346SS..Hα-helixtrans-59.9-37173.8-74.2173.3-173.3162.40112.9E69 E70 W71 N75E69-K73 VanDerWaalsContact CD-NZ 3.27Å; E69-K73 HydrophobicContact CG-CD 4.3Å; E69-K73 WeakPolarHBondContact O-CG 3.5Å; E69-K73 PolarHBondContact O-N 3.31Å; E69-K73 WeakPolarHBondContact OE1-CE 3.47Å; E69-K73 IonicContact OE1-NZ 2.99Å; E69-K73 PolarHBondContact OE1-NZ 2.74Å; E70-K73 WeakPolarHBondContact OE1-CD 3.4Å; E70-K73 IonicContact OE1-NZ 3.36Å; E70-K73 PolarHBondContact OE1-NZ 3.27Å; W71-K73 PolarHBondContact O-N 3.4Å; K73-N75 VanDerWaalsContact C-N 3.33Å
74R94Very high91.4Very high197 Ų19772 Ų7274%0.74336%0.358SS*.Hα-helixtrans-81.3-14.7178.9-70.1176.9-170.4-157.73113.4E70 W71 E72 P76E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 2.85Å; W71-R74 PolarHBondContact O-N 3.5Å; E72-R74 VanDerWaalsContact C-N 3.29Å; E72-R74 PolarHBondContact O-N 3.33Å; R74-P76 VanDerWaalsContact C-CD 3.42Å
75N93Very high91.3Very high41 Ų4172 Ų7222%0.21936%0.359CS..SBendtrans-126.962.1-179.7-63-94.5000110W71 E72 K73 W84 H649W71-N75 HydrophobicContact CH2-CB 4.23Å; W71-N75 HydrophobicContact CZ2-CB 4.27Å; W71-N75 HydrophobicContact CZ3-CB 4.34Å; W71-N75 PolarHBondContact NE1-ND2 2.65Å; W71-N75 WeakPolarHBondContact O-CB 3.23Å; W71-N75 PolarHBondContact O-N 3.27Å; W71-N75 PolarHBondContact O-ND2 3.42Å; E72-N75 CarbonylContact O-C 3.5Å; E72-N75 PolarHBondContact O-N 3.02Å; E72-N75 VanDerWaalsContact O-N 3.16Å; K73-N75 VanDerWaalsContact C-N 3.33Å; N75-W84 VanDerWaalsContact CB-CD1 3.5Å; N75-W84 PolarHBondContact OD1-NE1 2.93Å; N75-H649 PolarHBondContact O-CE1 3.41Å; N75-H649 PolarHBondContact O-NE2 2.94Å
76P90.8Very high91.2Very high86 Ų8668.1 Ų68.156%0.55834%0.341SS*.  trans-65.9150.4-177.429.6-36.1000111.7R74 I78R74-P76 VanDerWaalsContact C-CD 3.42Å; P76-I78 PolarHBondContact O-N 2.99Å
77L87.3Confident91.1Very high35 Ų3566.4 Ų66.418%0.18333%0.333CS..  trans-67.3127.2171.7-70.4178.9000111.1A82 W84 H649 H651L77-A82 HydrophobicContact CB-CB 4.03Å; L77-A82 HydrophobicContact CD2-CB 3.78Å; L77-A82 HydrophobicContact CG-CB 4.36Å; L77-W84 HydrophobicContact CD2-CB 3.84Å; L77-H649 WeakPolarHBondContact CD2-CE1 3.42Å; L77-H649 WeakPolarHBondContact CD2-ND1 3.48Å; L77-H649 WeakPolarHBondContact CG-CE1 3.43Å; L77-H649 WeakPolarHBondContact CG-ND1 3.4Å; L77-H651 HydrophobicContact CD1-CB 3.8Å; L77-H651 VanDerWaalsContact CD1-ND1 3.28Å; L77-H651 WeakPolarHBondContact CD1-ND1 3.21Å
78I82.7Confident90.8Very high159 Ų15968.9 Ų68.982%0.81535%0.346SS*.  trans-97.897.7174.3-55.7175000107.7P76 A82P76-I78 PolarHBondContact O-N 2.99Å; I78-A82 WeakPolarHBondContact O-CB 3.49Å
79G82Confident90.6Very high51 Ų5169.8 Ų69.853%0.52635%0.353SS..SBendtrans108.3163.6179.900000114D81G79-D81 VanDerWaalsContact C-N 3.33Å
80Q79.7Confident90.5Very high172 Ų17266.9 Ų66.980%0.80434%0.339SS*.THydrogen-bonded Turntrans-75.1-24.3-174.5-64.3-176.67.100113.3H651 G652Q80-H651 CarbonylContact O-C 3.32Å; Q80-H651 VanDerWaalsContact O-CB 3.23Å; Q80-H651 WeakPolarHBondContact O-CB 3.36Å; Q80-G652 WeakPolarHBondContact O-CA 3.41Å; Q80-G652 PolarHBondContact O-N 3.18Å
81D81.2Confident90.5Very high88 Ų8863.8 Ų63.847%0.47133%0.325SS..THydrogen-bonded Turntrans-11124.1-175.5-74.3-44.3000112G79 G652 I653 N654G79-D81 VanDerWaalsContact C-N 3.33Å; D81-G652 VanDerWaalsContact OD1-CA 3.28Å; D81-G652 WeakPolarHBondContact OD1-CA 3.45Å; D81-I653 HydrophobicContact CB-CG2 3.81Å; D81-I653 PolarHBondContact OD1-N 3.13Å; D81-N654 PolarHBondContact O-ND2 3.23Å
82A86.7Confident90.5Very high19 Ų1962.6 Ų62.616%0.15732%0.322CS..  trans-88.2156.1-173.500000113.4L77 I78 H651L77-A82 HydrophobicContact CB-CB 4.03Å; L77-A82 HydrophobicContact CD2-CB 3.78Å; L77-A82 HydrophobicContact CG-CB 4.36Å; I78-A82 WeakPolarHBondContact O-CB 3.49Å; A82-H651 PolarHBondContact O-N 3.43Å
83S90.2Very high90.5Very high35 Ų3565.1 Ų65.125%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-135136.8171.7169.10000108.5H650S83-H650 WeakPolarHBondContact CB-ND1 3.38Å; S83-H650 PolarHBondContact OG-CE1 3.47Å; S83-H650 PolarHBondContact OG-ND1 2.81Å
84W94.3Very high90.6Very high66 Ų6659.5 Ų59.525%0.2531%0.307CS..EExtended strand (participates in β ladder)trans-146.8125.7175.8-162-107000111.7W71 N75 L77 N88 A89 M92 G648 H649W71-W84 AromaticContact CH2-CD1 3.5Å; W71-W84 VanDerWaalsContact CH2-CD1 3.5Å; W71-W84 HydrophobicContact CH2-CG 4.44Å; W71-W84 AromaticContact CZ2-CD1 3.92Å; N75-W84 VanDerWaalsContact CB-CD1 3.5Å; N75-W84 PolarHBondContact OD1-NE1 2.93Å; L77-W84 HydrophobicContact CD2-CB 3.84Å; W84-N88 HydrophobicContact CD2-CB 4.03Å; W84-N88 HydrophobicContact CE3-CB 3.68Å; W84-N88 HydrophobicContact CH2-CB 4.32Å; W84-N88 HydrophobicContact CZ3-CB 3.84Å; W84-A89 HydrophobicContact CZ2-CB 4.18Å; W84-M92 HydrophobicContact CH2-CB 4.37Å; W84-M92 HydrophobicContact CH2-CG 3.49Å; W84-M92 VanDerWaalsContact CH2-CG 3.49Å; W84-M92 HydrophobicContact CZ2-CG 4.26Å; W84-M92 HydrophobicContact CZ3-CG 4.36Å; W84-G648 CarbonylContact O-C 3.49Å; W84-G648 WeakPolarHBondContact O-CA 3.15Å; W84-H649 PolarHBondContact N-O 3.35Å; W84-H649 PolarHBondContact O-N 2.81Å
85T94.9Very high90.7Very high8 Ų850.4 Ų50.45%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-131.3167.5-178.469.80000110.5W71 F87 N88 A89 C647 E667W71-T85 VanDerWaalsContact CH2-C 3.44Å; T85-F87 PolarHBondContact O-N 3.07Å; T85-F87 PolarHBondContact OG1-N 3.13Å; T85-N88 WeakPolarHBondContact CB-OD1 3.42Å; T85-N88 PolarHBondContact N-OD1 2.88Å; T85-N88 PolarHBondContact O-N 3.45Å; T85-N88 PolarHBondContact OG1-N 3.48Å; T85-N88 VanDerWaalsContact OG1-N 3.15Å; T85-N88 PolarHBondContact OG1-OD1 2.81Å; T85-A89 PolarHBondContact O-N 3.39Å; T85-C647 WeakPolarHBondContact CA-O 3.43Å; T85-E667 WeakPolarHBondContact CG2-OE1 3.47Å
86T95.2Very high90.9Very high1 Ų152.3 Ų52.31%0.00628%0.281CS..Hα-helixtrans-55.5-32.2168.949.50000112.5W71 M90 P516 Q644 S645 C647W71-T86 HydrophobicContact CZ2-CG2 3.97Å; T86-M90 WeakPolarHBondContact O-CB 3.36Å; T86-M90 PolarHBondContact O-N 3.46Å; T86-P516 HydrophobicContact CG2-CG 3.86Å; T86-Q644 WeakPolarHBondContact CG2-O 3.45Å; T86-S645 PolarHBondContact OG1-O 3.18Å; T86-C647 HydrophobicContact CG2-CB 3.88Å; T86-C647 WeakPolarHBondContact CG2-O 3.37Å; T86-C647 PolarHBondContact N-O 3.41Å
87F93Very high91.2Very high57 Ų5749.8 Ų49.825%0.2526%0.261CS..Hα-helixtrans-67.6-41.8173-69.3-91.8000112.1T85 M90 Q91 N495 F517 L646T85-F87 PolarHBondContact O-N 3.07Å; T85-F87 PolarHBondContact OG1-N 3.13Å; F87-M90 HydrophobicContact CD1-CE 3.72Å; F87-M90 HydrophobicContact CE1-CE 4.26Å; F87-M90 HydrophobicContact CG-CE 4.36Å; F87-M90 WeakPolarHBondContact O-CB 3.32Å; F87-M90 PolarHBondContact O-N 3.06Å; F87-Q91 PolarHBondContact O-N 2.88Å; F87-N495 PolarHBondContact O-ND2 3.11Å; F87-F517 HydrophobicContact CD1-CE2 4.29Å; F87-F517 HydrophobicContact CD1-CZ 4.35Å; F87-F517 HydrophobicContact CD2-CE2 4.42Å; F87-F517 HydrophobicContact CD2-CZ 4.2Å; F87-F517 HydrophobicContact CE1-CE1 4.35Å; F87-F517 HydrophobicContact CE1-CE2 4.04Å; F87-F517 AromaticContact CE1-CZ 3.7Å; F87-F517 HydrophobicContact CE1-CZ 3.7Å; F87-F517 HydrophobicContact CE2-CE1 4.48Å; F87-F517 HydrophobicContact CE2-CE2 4.18Å; F87-F517 AromaticContact CE2-CZ 3.54Å; F87-F517 HydrophobicContact CE2-CZ 3.54Å; F87-F517 HydrophobicContact CG-CE2 4.48Å; F87-F517 AromaticContact CZ-CE1 3.89Å; F87-F517 HydrophobicContact CZ-CE1 3.89Å; F87-F517 AromaticContact CZ-CE2 3.99Å; F87-F517 HydrophobicContact CZ-CE2 3.99Å; F87-F517 AromaticContact CZ-CZ 3.24Å; F87-F517 HydrophobicContact CZ-CZ 3.24Å; F87-L646 HydrophobicContact CE2-CD2 4.17Å
88N92.1Very high91.7Very high59 Ų5948.1 Ų48.132%0.31625%0.252SS..Hα-helixtrans-65.2-44.9175.9-57.6109.4000111.2W84 T85 M90 Q91 M92W84-N88 HydrophobicContact CD2-CB 4.03Å; W84-N88 HydrophobicContact CE3-CB 3.68Å; W84-N88 HydrophobicContact CH2-CB 4.32Å; W84-N88 HydrophobicContact CZ3-CB 3.84Å; T85-N88 WeakPolarHBondContact CB-OD1 3.42Å; T85-N88 PolarHBondContact N-OD1 2.88Å; T85-N88 PolarHBondContact O-N 3.45Å; T85-N88 PolarHBondContact OG1-N 3.48Å; T85-N88 VanDerWaalsContact OG1-N 3.15Å; T85-N88 PolarHBondContact OG1-OD1 2.81Å; N88-M90 VanDerWaalsContact C-N 3.26Å; N88-M90 PolarHBondContact O-N 3.12Å; N88-Q91 PolarHBondContact O-N 2.98Å; N88-M92 PolarHBondContact O-N 2.9Å
89A93.2Very high92.4Very high19 Ų1943.9 Ų43.916%0.15723%0.225CC..Hα-helixtrans-59.8-39176.400000112W71 W84 T85 M92 K93W71-A89 HydrophobicContact CZ2-CB 4.37Å; W84-A89 HydrophobicContact CZ2-CB 4.18Å; T85-A89 PolarHBondContact O-N 3.39Å; A89-M92 PolarHBondContact O-N 3.37Å; A89-K93 PolarHBondContact O-N 3.27Å; A89-K93 VanDerWaalsContact O-N 3.13Å
90M93Very high93Very high1 Ų147.9 Ų47.91%0.00523%0.229CC..Hα-helixtrans-63.1-48174.2-178.8166.447.200111.9T86 F87 N88 M92 K93 T94 N495 G511 I512 Q514 F517T86-M90 WeakPolarHBondContact O-CB 3.36Å; T86-M90 PolarHBondContact O-N 3.46Å; F87-M90 HydrophobicContact CD1-CE 3.72Å; F87-M90 HydrophobicContact CE1-CE 4.26Å; F87-M90 HydrophobicContact CG-CE 4.36Å; F87-M90 WeakPolarHBondContact O-CB 3.32Å; F87-M90 PolarHBondContact O-N 3.06Å; N88-M90 VanDerWaalsContact C-N 3.26Å; N88-M90 PolarHBondContact O-N 3.12Å; M90-M92 VanDerWaalsContact C-N 3.27Å; M90-M92 PolarHBondContact O-N 3.34Å; M90-K93 WeakPolarHBondContact O-CB 3.48Å; M90-K93 PolarHBondContact O-N 2.92Å; M90-T94 PolarHBondContact O-N 3.15Å; M90-N495 HydrophobicContact CE-CB 3.64Å; M90-N495 HydrophobicContact CG-CB 4.14Å; M90-N495 HydrophobicContact SD-CB 4.07Å; M90-G511 VanDerWaalsContact SD-O 3.33Å; M90-I512 HydrophobicContact CE-CG1 4.27Å; M90-Q514 HydrophobicContact CG-CG 3.42Å; M90-Q514 VanDerWaalsContact CG-CG 3.42Å; M90-Q514 PolarHBondContact O-NE2 3.01Å; M90-Q514 HydrophobicContact SD-CG 3.48Å; M90-Q514 WeakPolarHBondContact SD-CG 3.42Å; M90-F517 HydrophobicContact CE-CD2 3.61Å; M90-F517 HydrophobicContact CE-CE2 3.72Å; M90-F517 HydrophobicContact SD-CD2 3.92Å
91Q94Very high93.8Very high34 Ų3440.1 Ų40.116%0.15919%0.192CC..Hα-helixtrans-61.4-36.9175.8-172.557.554.400111.6F87 N88 K93 T94 N95F87-Q91 PolarHBondContact O-N 2.88Å; N88-Q91 PolarHBondContact O-N 2.98Å; Q91-K93 PolarHBondContact O-N 3.03Å; Q91-T94 WeakPolarHBondContact O-CB 3.35Å; Q91-T94 PolarHBondContact O-N 3Å; Q91-N95 PolarHBondContact NE2-OD1 3.21Å; Q91-N95 VanDerWaalsContact O-CG 3.29Å; Q91-N95 PolarHBondContact O-N 2.91Å; Q91-N95 PolarHBondContact O-OD1 3.28Å
92M94.2Very high94.5Very high23 Ų2336 Ų3611%0.11317%0.17CC..Hα-helixtrans-65.5-35175.8-83.1-44.1102.100113.8W84 N88 A89 M90 T94 N95 H96 F360 E362W84-M92 HydrophobicContact CH2-CB 4.37Å; W84-M92 HydrophobicContact CH2-CG 3.49Å; W84-M92 VanDerWaalsContact CH2-CG 3.49Å; W84-M92 HydrophobicContact CZ2-CG 4.26Å; W84-M92 HydrophobicContact CZ3-CG 4.36Å; N88-M92 PolarHBondContact O-N 2.9Å; A89-M92 PolarHBondContact O-N 3.37Å; M90-M92 VanDerWaalsContact C-N 3.27Å; M90-M92 PolarHBondContact O-N 3.34Å; M92-T94 VanDerWaalsContact C-N 3.33Å; M92-N95 HydrophobicContact CE-CB 4.43Å; M92-N95 WeakPolarHBondContact CE-ND2 3.44Å; M92-N95 PolarHBondContact O-N 2.75Å; M92-N95 HydrophobicContact SD-CB 4.35Å; M92-H96 WeakPolarHBondContact O-CB 3.35Å; M92-H96 PolarHBondContact O-N 2.63Å; M92-H96 PolarHBondContact O-ND1 2.58Å; M92-F360 HydrophobicContact SD-CZ 4.31Å; M92-E362 VanDerWaalsContact CE-CD 3.47Å; M92-E362 HydrophobicContact CE-CG 3.85Å; M92-E362 WeakPolarHBondContact CE-OE1 3.24Å; M92-E362 HydrophobicContact SD-CG 3.96Å
93K94.6Very high94.8Very high99 Ų9935.5 Ų35.543%0.4317%0.167SC..Hα-helixtrans-61.6-45.1172.7-71.2175.1-178.7176.70110.9A89 M90 Q91 N95 H96 Y97 F515A89-K93 PolarHBondContact O-N 3.27Å; A89-K93 VanDerWaalsContact O-N 3.13Å; M90-K93 WeakPolarHBondContact O-CB 3.48Å; M90-K93 PolarHBondContact O-N 2.92Å; Q91-K93 PolarHBondContact O-N 3.03Å; K93-N95 VanDerWaalsContact C-N 3.34Å; K93-N95 PolarHBondContact O-N 2.99Å; K93-H96 PolarHBondContact O-N 2.92Å; K93-Y97 PolarHBondContact O-N 3.33Å; K93-F515 PolarHBondContact NZ-O 2.95Å; K93-F515 VanDerWaalsContact NZ-O 3.11Å
94T96.2Very high94.9Very high0 Ų037 Ų370%017%0.171CC..Hα-helixtrans-59.7-43.9174.1-60.20000111.4M90 Q91 M92 H96 Y97 F98 Y380 F493 Q514M90-T94 PolarHBondContact O-N 3.15Å; Q91-T94 WeakPolarHBondContact O-CB 3.35Å; Q91-T94 PolarHBondContact O-N 3Å; M92-T94 VanDerWaalsContact C-N 3.33Å; T94-H96 PolarHBondContact O-N 3.33Å; T94-Y97 WeakPolarHBondContact O-CB 3.31Å; T94-Y97 PolarHBondContact O-N 2.76Å; T94-F98 HydrophobicContact CG2-CD2 3.95Å; T94-F98 HydrophobicContact CG2-CE2 3.4Å; T94-F98 VanDerWaalsContact CG2-CE2 3.4Å; T94-F98 HydrophobicContact CG2-CZ 4.13Å; T94-F98 VanDerWaalsContact O-CD2 3.26Å; T94-F98 WeakPolarHBondContact O-CD2 3.44Å; T94-F98 PolarHBondContact O-N 2.91Å; T94-F98 VanDerWaalsContact O-N 3.09Å; T94-Y380 HydrophobicContact CG2-CD2 4.33Å; T94-Y380 HydrophobicContact CG2-CE2 3.87Å; T94-F493 HydrophobicContact CG2-CB 4.23Å; T94-F493 HydrophobicContact CG2-CD2 4.4Å; T94-Q514 PolarHBondContact OG1-NE2 3.27Å
95N97Very high94.7Very high6 Ų638.2 Ų38.23%0.03218%0.18CC..Hα-helixtrans-63.6-41.9177.6-718.9000112.1Q91 M92 K93 Y97 F98 W99 F360 I365 Q369Q91-N95 PolarHBondContact NE2-OD1 3.21Å; Q91-N95 VanDerWaalsContact O-CG 3.29Å; Q91-N95 PolarHBondContact O-N 2.91Å; Q91-N95 PolarHBondContact O-OD1 3.28Å; M92-N95 HydrophobicContact CE-CB 4.43Å; M92-N95 WeakPolarHBondContact CE-ND2 3.44Å; M92-N95 PolarHBondContact O-N 2.75Å; M92-N95 HydrophobicContact SD-CB 4.35Å; K93-N95 VanDerWaalsContact C-N 3.34Å; K93-N95 PolarHBondContact O-N 2.99Å; N95-Y97 VanDerWaalsContact C-N 3.35Å; N95-F98 PolarHBondContact O-N 3.06Å; N95-W99 PolarHBondContact O-N 3.36Å; N95-F360 HydrophobicContact CB-CE2 4.24Å; N95-F360 HydrophobicContact CB-CZ 4.18Å; N95-I365 HydrophobicContact CB-CG2 3.67Å; N95-Q369 PolarHBondContact OD1-NE2 3.42Å; N95-Q369 PolarHBondContact OD1-OE1 2.97Å
96H96.4Very high94.7Very high80 Ų8041.9 Ų41.937%0.3721%0.206SC..Hα-helixtrans-65-37.7175.6-82.281.5000112.4M92 K93 T94 W99 K100 F360M92-H96 WeakPolarHBondContact O-CB 3.35Å; M92-H96 PolarHBondContact O-N 2.63Å; M92-H96 PolarHBondContact O-ND1 2.58Å; K93-H96 PolarHBondContact O-N 2.92Å; T94-H96 PolarHBondContact O-N 3.33Å; H96-W99 PolarHBondContact O-N 3.46Å; H96-K100 WeakPolarHBondContact O-CG 3.45Å; H96-K100 PolarHBondContact O-N 3.11Å; H96-F360 AromaticContact CE1-CE1 3.95Å; H96-F360 AromaticContact CE1-CZ 3.72Å; H96-F360 AromaticContact ND1-CE2 3.93Å; H96-F360 AromaticContact ND1-CZ 3.86Å
97Y97Very high94.6Very high34 Ų3445 Ų4513%0.13322%0.218CC..Hα-helixtrans-59.1-49.5173.2165.6-104.8000111.1K93 T94 N95 W99 K100 I101 H379 Y380 S383 H384K93-Y97 PolarHBondContact O-N 3.33Å; T94-Y97 WeakPolarHBondContact O-CB 3.31Å; T94-Y97 PolarHBondContact O-N 2.76Å; N95-Y97 VanDerWaalsContact C-N 3.35Å; Y97-W99 VanDerWaalsContact C-N 3.34Å; Y97-W99 PolarHBondContact O-N 3.22Å; Y97-K100 WeakPolarHBondContact O-CB 3.26Å; Y97-K100 PolarHBondContact O-N 3.17Å; Y97-K100 VanDerWaalsContact O-N 3.16Å; Y97-I101 HydrophobicContact CD2-CG2 4.32Å; Y97-I101 HydrophobicContact CE1-CD1 4.14Å; Y97-I101 HydrophobicContact CE2-CG2 3.69Å; Y97-I101 PolarHBondContact O-N 2.69Å; Y97-I101 VanDerWaalsContact O-N 3.16Å; Y97-H379 PolarHBondContact OH-O 2.98Å; Y97-Y380 AromaticContact CD1-CD2 3.93Å; Y97-Y380 HydrophobicContact CD1-CD2 3.93Å; Y97-Y380 HydrophobicContact CE1-CD2 4.03Å; Y97-S383 PolarHBondContact OH-OG 3.46Å; Y97-H384 AromaticContact CD1-CE1 3.59Å; Y97-H384 AromaticContact CD2-CE1 3.58Å; Y97-H384 AromaticContact CE1-CE1 3.75Å; Y97-H384 AromaticContact CE2-CE1 3.74Å; Y97-H384 AromaticContact CG-CE1 3.5Å; Y97-H384 VanDerWaalsContact CG-CE1 3.5Å; Y97-H384 AromaticContact CZ-CE1 3.83Å
98F97.8Very high94.7Very high0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-63.9-39.5178.6-66.7-46.5000112.8T94 N95 K100 I101 I102 Q369 L376 Y380 F493T94-F98 HydrophobicContact CG2-CD2 3.95Å; T94-F98 HydrophobicContact CG2-CE2 3.4Å; T94-F98 VanDerWaalsContact CG2-CE2 3.4Å; T94-F98 HydrophobicContact CG2-CZ 4.13Å; T94-F98 VanDerWaalsContact O-CD2 3.26Å; T94-F98 WeakPolarHBondContact O-CD2 3.44Å; T94-F98 PolarHBondContact O-N 2.91Å; T94-F98 VanDerWaalsContact O-N 3.09Å; N95-F98 PolarHBondContact O-N 3.06Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.99Å; F98-I101 HydrophobicContact CD1-CD1 4.02Å; F98-I101 VanDerWaalsContact O-CG1 3.27Å; F98-I101 WeakPolarHBondContact O-CG1 3.16Å; F98-I101 PolarHBondContact O-N 2.71Å; F98-I102 VanDerWaalsContact O-CB 3.29Å; F98-I102 WeakPolarHBondContact O-CB 3.33Å; F98-I102 WeakPolarHBondContact O-CG1 3.34Å; F98-I102 PolarHBondContact O-N 3.47Å; F98-Q369 HydrophobicContact CD2-CG 3.98Å; F98-Q369 HydrophobicContact CE2-CG 4.11Å; F98-Q369 VanDerWaalsContact CE2-NE2 3.3Å; F98-L376 HydrophobicContact CD1-CB 4.05Å; F98-L376 HydrophobicContact CD1-CD1 4.33Å; F98-L376 HydrophobicContact CD1-CD2 3.72Å; F98-L376 HydrophobicContact CD1-CG 4.24Å; F98-L376 HydrophobicContact CD2-CD1 4.4Å; F98-L376 HydrophobicContact CE1-CB 3.61Å; F98-L376 HydrophobicContact CE1-CD1 4.48Å; F98-L376 HydrophobicContact CE1-CD2 4.18Å; F98-L376 HydrophobicContact CE1-CG 4.3Å; F98-L376 HydrophobicContact CG-CD1 4.29Å; F98-L376 HydrophobicContact CG-CD2 4.22Å; F98-L376 HydrophobicContact CZ-CB 3.91Å; F98-Y380 HydrophobicContact CE1-CD2 4.12Å; F98-Y380 AromaticContact CZ-CD2 3.78Å; F98-Y380 HydrophobicContact CZ-CD2 3.78Å; F98-Y380 HydrophobicContact CZ-CG 4.28Å; F98-F493 HydrophobicContact CE2-CB 4.26Å; F98-F493 HydrophobicContact CE2-CD1 4.21Å; F98-F493 AromaticContact CE2-CD2 3.71Å; F98-F493 HydrophobicContact CE2-CD2 3.71Å; F98-F493 HydrophobicContact CE2-CE1 4.49Å; F98-F493 HydrophobicContact CE2-CE2 4.06Å; F98-F493 AromaticContact CE2-CG 3.81Å; F98-F493 HydrophobicContact CE2-CG 3.81Å; F98-F493 HydrophobicContact CE2-CZ 4.43Å; F98-F493 HydrophobicContact CZ-CB 3.89Å; F98-F493 AromaticContact CZ-CD1 3.65Å; F98-F493 HydrophobicContact CZ-CD1 3.65Å; F98-F493 AromaticContact CZ-CD2 3.98Å; F98-F493 HydrophobicContact CZ-CD2 3.98Å; F98-F493 HydrophobicContact CZ-CE1 4.1Å; F98-F493 HydrophobicContact CZ-CE2 4.44Å; F98-F493 AromaticContact CZ-CG 3.57Å; F98-F493 HydrophobicContact CZ-CG 3.57Å; F98-F493 HydrophobicContact CZ-CZ 4.49Å
99W97.2Very high94.7Very high69 Ų6948.2 Ų48.226%0.26123%0.234SC..Hα-helixtrans-59.1-44.8172.7173.271.1000112.1N95 H96 Y97 I101 I102 A103 Y121 P358 H359 F360 I365N95-W99 PolarHBondContact O-N 3.36Å; H96-W99 PolarHBondContact O-N 3.46Å; Y97-W99 VanDerWaalsContact C-N 3.34Å; Y97-W99 PolarHBondContact O-N 3.22Å; W99-I101 PolarHBondContact O-N 3.2Å; W99-I102 PolarHBondContact O-N 3.05Å; W99-A103 HydrophobicContact CZ2-CB 4.46Å; W99-A103 VanDerWaalsContact O-CB 3.23Å; W99-A103 WeakPolarHBondContact O-CB 3.28Å; W99-A103 PolarHBondContact O-N 3.38Å; W99-Y121 AromaticContact CD1-CE1 3.77Å; W99-Y121 AromaticContact CD1-CZ 3.85Å; W99-P358 PolarHBondContact NE1-O 2.88Å; W99-H359 PolarHBondContact NE1-O 3.11Å; W99-F360 HydrophobicContact CB-CD2 3.58Å; W99-F360 HydrophobicContact CB-CE2 4.05Å; W99-F360 HydrophobicContact CD2-CB 4.01Å; W99-F360 AromaticContact CD2-CD2 3.97Å; W99-F360 HydrophobicContact CD2-CD2 3.97Å; W99-F360 HydrophobicContact CE3-CD2 4.39Å; W99-F360 HydrophobicContact CG-CB 4.17Å; W99-F360 AromaticContact CG-CD2 3.6Å; W99-F360 HydrophobicContact CG-CD2 3.6Å; W99-F360 HydrophobicContact CG-CG 4.38Å; W99-F360 HydrophobicContact CZ2-CB 4.41Å; W99-I365 HydrophobicContact CB-CD1 3.77Å; W99-I365 HydrophobicContact CB-CG1 4.31Å
100K95.7Very high94.8Very high136 Ų13655.6 Ų55.659%0.59127%0.265SS*.Hα-helixtrans-57.9-48.3179-76.9176.3179.4-1780112.4H96 Y97 F98 I102 D104H96-K100 WeakPolarHBondContact O-CG 3.45Å; H96-K100 PolarHBondContact O-N 3.11Å; Y97-K100 WeakPolarHBondContact O-CB 3.26Å; Y97-K100 PolarHBondContact O-N 3.17Å; Y97-K100 VanDerWaalsContact O-N 3.16Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.99Å; K100-I102 VanDerWaalsContact C-N 3.29Å; K100-I102 PolarHBondContact O-N 3.45Å; K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 2.9Å; K100-D104 VanDerWaalsContact O-N 3.11Å
101I95.9Very high94.8Very high9 Ų956.6 Ų56.65%0.04627%0.271CS..Hα-helixtrans-70.1-27.8-179.368.3173.6000112.3Y97 F98 W99 Y107 L114 R118 L376 H379Y97-I101 HydrophobicContact CD2-CG2 4.32Å; Y97-I101 HydrophobicContact CE1-CD1 4.14Å; Y97-I101 HydrophobicContact CE2-CG2 3.69Å; Y97-I101 PolarHBondContact O-N 2.69Å; Y97-I101 VanDerWaalsContact O-N 3.16Å; F98-I101 HydrophobicContact CD1-CD1 4.02Å; F98-I101 VanDerWaalsContact O-CG1 3.27Å; F98-I101 WeakPolarHBondContact O-CG1 3.16Å; F98-I101 PolarHBondContact O-N 2.71Å; W99-I101 PolarHBondContact O-N 3.2Å; I101-Y107 HydrophobicContact CB-CD1 3.79Å; I101-Y107 HydrophobicContact CB-CE1 3.77Å; I101-Y107 HydrophobicContact CB-CG 4.38Å; I101-Y107 HydrophobicContact CD1-CE1 4.5Å; I101-Y107 HydrophobicContact CG2-CD1 4.15Å; I101-Y107 HydrophobicContact CG2-CE1 3.83Å; I101-Y107 HydrophobicContact CG2-CE2 4.28Å; I101-L114 HydrophobicContact CD1-CD1 4.48Å; I101-R118 PolarHBondContact O-NH2 2.92Å; I101-L376 HydrophobicContact CD1-CD2 4.43Å; I101-H379 HydrophobicContact CD1-CB 3.97Å
102I95.8Very high94.8Very high0 Ų058.5 Ų58.50%029%0.288CS..Hα-helixtrans-80.3-40179.1-71.2-74000111.9F98 W99 K100 L114 A117 R118 Y121 L368F98-I102 VanDerWaalsContact O-CB 3.29Å; F98-I102 WeakPolarHBondContact O-CB 3.33Å; F98-I102 WeakPolarHBondContact O-CG1 3.34Å; F98-I102 PolarHBondContact O-N 3.47Å; W99-I102 PolarHBondContact O-N 3.05Å; K100-I102 VanDerWaalsContact C-N 3.29Å; K100-I102 PolarHBondContact O-N 3.45Å; I102-L114 HydrophobicContact CD1-CD1 3.87Å; I102-A117 HydrophobicContact CD1-CB 4.01Å; I102-R118 HydrophobicContact CD1-CG 3.97Å; I102-R118 HydrophobicContact CG2-CG 4.27Å; I102-R118 WeakPolarHBondContact O-CG 3.2Å; I102-R118 PolarHBondContact O-NE 2.89Å; I102-Y121 HydrophobicContact CG2-CD1 3.48Å; I102-Y121 VanDerWaalsContact CG2-CD1 3.48Å; I102-Y121 HydrophobicContact CG2-CE1 4.33Å; I102-Y121 HydrophobicContact CG2-CG 3.63Å; I102-L368 HydrophobicContact CD1-CD1 4.33Å; I102-L368 HydrophobicContact CD1-CD2 3.89Å; I102-L368 HydrophobicContact CG1-CD2 3.63Å
103A92.6Very high94.8Very high10 Ų1059 Ų598%0.08329%0.29CS..Hα-helixtrans-74.5-28.5-179.800000112.6W99 E105 P358W99-A103 HydrophobicContact CZ2-CB 4.46Å; W99-A103 VanDerWaalsContact O-CB 3.23Å; W99-A103 WeakPolarHBondContact O-CB 3.28Å; W99-A103 PolarHBondContact O-N 3.38Å; A103-E105 PolarHBondContact O-N 2.58Å; A103-P358 HydrophobicContact CB-CG 4.43Å
104D93.3Very high94.9Very high65 Ų6554.3 Ų54.335%0.34827%0.27SS..  trans-79.2106.7171.7-176.3-3.2000110.5K100 S106 Y107 R118K100-D104 WeakPolarHBondContact O-CB 3.41Å; K100-D104 PolarHBondContact O-N 2.9Å; K100-D104 VanDerWaalsContact O-N 3.11Å; D104-S106 PolarHBondContact O-N 3.42Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 3.49Å; D104-S106 PolarHBondContact OD1-OG 3.33Å; D104-S106 PolarHBondContact OD2-OG 3.29Å; D104-Y107 PolarHBondContact OD1-N 2.86Å; D104-R118 PolarHBondContact O-NE 2.97Å; D104-R118 PolarHBondContact O-NH2 2.98Å
105E90.7Very high94.9Very high93 Ų9356.6 Ų56.644%0.43528%0.28SS..SBendtrans-70.2-19.5178.3-63.6-171.5170.300113.7A103 K122A103-E105 PolarHBondContact O-N 2.58Å; E105-K122 IonicContact OE1-NZ 3.11Å; E105-K122 PolarHBondContact OE1-NZ 3.3Å
106S93.2Very high94.8Very high85 Ų8557.5 Ų57.559%0.59429%0.285SS*.SBendtrans-84.1-26.5-177.374.50000113.1D104 E108D104-S106 PolarHBondContact O-N 3.42Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 3.49Å; D104-S106 PolarHBondContact OD1-OG 3.33Å; D104-S106 PolarHBondContact OD2-OG 3.29Å; S106-E108 PolarHBondContact O-N 2.97Å
107Y94.7Very high94.8Very high66 Ų6653.7 Ų53.726%0.25927%0.268SS..THydrogen-bonded Turntrans-62.3121.8179.3-179.6-92.4000110.5I101 D104 I109 L114 R118 H379I101-Y107 HydrophobicContact CB-CD1 3.79Å; I101-Y107 HydrophobicContact CB-CE1 3.77Å; I101-Y107 HydrophobicContact CB-CG 4.38Å; I101-Y107 HydrophobicContact CD1-CE1 4.5Å; I101-Y107 HydrophobicContact CG2-CD1 4.15Å; I101-Y107 HydrophobicContact CG2-CE1 3.83Å; I101-Y107 HydrophobicContact CG2-CE2 4.28Å; D104-Y107 PolarHBondContact OD1-N 2.86Å; Y107-I109 VanDerWaalsContact C-N 3.26Å; Y107-I109 PolarHBondContact O-N 3.28Å; Y107-I109 VanDerWaalsContact O-N 3.16Å; Y107-L114 HydrophobicContact CD1-CD2 3.73Å; Y107-L114 HydrophobicContact CE1-CD2 4.03Å; Y107-R118 VanDerWaalsContact O-CZ 3.31Å; Y107-R118 PolarHBondContact O-NH1 3.48Å; Y107-R118 VanDerWaalsContact O-NH1 3.07Å; Y107-R118 PolarHBondContact O-NH2 2.7Å; Y107-H379 AromaticContact CE1-ND1 3.68Å
108E93.6Very high94.8Very high83 Ų8352.3 Ų52.339%0.38826%0.262SS..THydrogen-bonded Turntrans46.949.2176.4-62.4-79.8-155.100112.5S106 E110 D111 L114 R382S106-E108 PolarHBondContact O-N 2.97Å; E108-E110 PolarHBondContact O-N 2.87Å; E108-E110 VanDerWaalsContact O-N 3.13Å; E108-D111 HydrophobicContact CB-CB 4.22Å; E108-D111 WeakPolarHBondContact O-CB 3.24Å; E108-D111 PolarHBondContact O-N 3.31Å; E108-L114 HydrophobicContact CB-CD2 3.97Å; E108-R382 IonicContact OE1-NH1 3.45Å
109I92.4Very high94.7Very high100 Ų10056.1 Ų56.151%0.51328%0.279SS..THydrogen-bonded Turntrans-57.1-31.2-172.7-166.6169.4000113.1Y107 D111 Q115Y107-I109 VanDerWaalsContact C-N 3.26Å; Y107-I109 PolarHBondContact O-N 3.28Å; Y107-I109 VanDerWaalsContact O-N 3.16Å; I109-D111 VanDerWaalsContact C-N 3.34Å; I109-Q115 PolarHBondContact O-NE2 3.32Å
110E94.6Very high94.7Very high174 Ų17452.9 Ų52.981%0.81327%0.266SS*.THydrogen-bonded Turntrans-79.1-11.1179.8-57.9-57.4145.200113.7E108 S112E108-E110 PolarHBondContact O-N 2.87Å; E108-E110 VanDerWaalsContact O-N 3.13Å; E110-S112 PolarHBondContact O-N 3.3Å; E110-S112 VanDerWaalsContact O-N 3.08Å
111D94.9Very high94.8Very high22 Ų2246.4 Ų46.412%0.11824%0.238CC..  trans-77.596.7175.8-169.5-42.6000110E108 I109 H113 L114 Q115 R378 H379E108-D111 HydrophobicContact CB-CB 4.22Å; E108-D111 WeakPolarHBondContact O-CB 3.24Å; E108-D111 PolarHBondContact O-N 3.31Å; I109-D111 VanDerWaalsContact C-N 3.34Å; D111-H113 PolarHBondContact O-N 3.48Å; D111-H113 WeakPolarHBondContact OD1-CA 3.36Å; D111-H113 VanDerWaalsContact OD1-CB 3.32Å; D111-H113 WeakPolarHBondContact OD1-CB 3.47Å; D111-H113 PolarHBondContact OD1-N 3.45Å; D111-L114 HydrophobicContact CB-CB 3.92Å; D111-L114 PolarHBondContact O-N 3.25Å; D111-L114 VanDerWaalsContact O-N 3.17Å; D111-L114 PolarHBondContact OD1-N 3.45Å; D111-Q115 WeakPolarHBondContact O-CG 3.31Å; D111-Q115 PolarHBondContact O-N 2.97Å; D111-R378 IonicContact OD1-NH2 3.25Å; D111-R378 IonicContact OD2-CZ 2.67Å; D111-R378 IonicContact OD2-NH1 2.64Å; D111-R378 IonicContact OD2-NH2 3.18Å; D111-R378 PolarHBondContact OD2-NH2 3.48Å; D111-H379 IonicContact OD2-CE1 2.67Å; D111-H379 IonicContact OD2-NE2 3.78Å
112S93.7Very high94.7Very high75 Ų7547.4 Ų47.452%0.52424%0.242SC..Hα-helixtrans-60.9-28.6-178.966.30000113.5E110 Q115 N116E110-S112 PolarHBondContact O-N 3.3Å; E110-S112 VanDerWaalsContact O-N 3.08Å; S112-Q115 PolarHBondContact O-N 3.32Å; S112-N116 PolarHBondContact O-N 2.87Å
113H94.4Very high94.7Very high34 Ų3447.4 Ų47.416%0.15724%0.242CC..Hα-helixtrans-72-44.1177-57.2163.6000110D111 Q115 N116 A117 T375 E445 L451D111-H113 PolarHBondContact O-N 3.48Å; D111-H113 WeakPolarHBondContact OD1-CA 3.36Å; D111-H113 VanDerWaalsContact OD1-CB 3.32Å; D111-H113 WeakPolarHBondContact OD1-CB 3.47Å; D111-H113 PolarHBondContact OD1-N 3.45Å; H113-Q115 VanDerWaalsContact C-N 3.31Å; H113-Q115 PolarHBondContact O-N 3.18Å; H113-N116 PolarHBondContact O-N 3.33Å; H113-A117 PolarHBondContact O-N 3.11Å; H113-T375 HydrophobicContact CB-CG2 3.95Å; H113-E445 IonicContact CE1-OE2 3.73Å; H113-E445 PolarHBondContact CE1-OE2 2.66Å; H113-E445 IonicContact CG-OE1 3.21Å; H113-E445 IonicContact CG-OE2 2.92Å; H113-E445 IonicContact ND1-OE1 3.59Å; H113-E445 PolarHBondContact ND1-OE1 2.63Å; H113-E445 IonicContact ND1-OE2 2.99Å; H113-E445 PolarHBondContact ND1-OE2 2.9Å; H113-L451 HydrophobicContact CB-CD2 4.34Å; H113-L451 VanDerWaalsContact CD2-CD2 3.4Å; H113-L451 WeakPolarHBondContact CD2-CD2 3.4Å
114L95.8Very high94.9Very high0 Ų046.9 Ų46.90%024%0.238CC..Hα-helixtrans-62.6-38.5172.9-171.465000111.4I101 I102 Y107 E108 D111 N116 A117 R118 T375I101-L114 HydrophobicContact CD1-CD1 4.48Å; I102-L114 HydrophobicContact CD1-CD1 3.87Å; Y107-L114 HydrophobicContact CD1-CD2 3.73Å; Y107-L114 HydrophobicContact CE1-CD2 4.03Å; E108-L114 HydrophobicContact CB-CD2 3.97Å; D111-L114 HydrophobicContact CB-CB 3.92Å; D111-L114 PolarHBondContact O-N 3.25Å; D111-L114 VanDerWaalsContact O-N 3.17Å; D111-L114 PolarHBondContact OD1-N 3.45Å; L114-N116 VanDerWaalsContact C-N 3.33Å; L114-N116 PolarHBondContact O-N 3.23Å; L114-A117 WeakPolarHBondContact O-CB 3.48Å; L114-A117 PolarHBondContact O-N 2.78Å; L114-R118 WeakPolarHBondContact O-CG 2.96Å; L114-R118 PolarHBondContact O-N 2.91Å; L114-T375 HydrophobicContact CB-CG2 4.3Å; L114-T375 HydrophobicContact CD1-CG2 4.42Å
115Q95.6Very high94.8Very high48 Ų4844.1 Ų44.122%0.22422%0.224CC..Hα-helixtrans-61.2-40174.3-66.5-60.1-17.400112.5I109 D111 S112 H113 R118 K119I109-Q115 PolarHBondContact O-NE2 3.32Å; D111-Q115 WeakPolarHBondContact O-CG 3.31Å; D111-Q115 PolarHBondContact O-N 2.97Å; S112-Q115 PolarHBondContact O-N 3.32Å; H113-Q115 VanDerWaalsContact C-N 3.31Å; H113-Q115 PolarHBondContact O-N 3.18Å; Q115-R118 WeakPolarHBondContact O-CB 3.37Å; Q115-R118 PolarHBondContact O-N 2.71Å; Q115-K119 WeakPolarHBondContact O-CG 3.36Å; Q115-K119 PolarHBondContact O-N 3.26Å
116N95.5Very high94.9Very high25 Ų2544.3 Ų44.313%0.13422%0.223CC..Hα-helixtrans-65.5-42.4173.7-81.7-17.6000111.8S112 H113 L114 R118 K119 F120 F372 M455S112-N116 PolarHBondContact O-N 2.87Å; H113-N116 PolarHBondContact O-N 3.33Å; L114-N116 VanDerWaalsContact C-N 3.33Å; L114-N116 PolarHBondContact O-N 3.23Å; N116-R118 VanDerWaalsContact C-N 3.3Å; N116-R118 PolarHBondContact O-N 2.83Å; N116-K119 PolarHBondContact O-N 2.83Å; N116-F120 PolarHBondContact O-N 3.04Å; N116-F372 HydrophobicContact CB-CE1 4.29Å; N116-M455 HydrophobicContact CB-CB 4.44Å; N116-M455 HydrophobicContact CB-CG 4.16Å; N116-M455 WeakPolarHBondContact O-CB 3.43Å; N116-M455 WeakPolarHBondContact O-CG 3.31Å
117A96.8Very high94.8Very high0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-59.4-40.1174.400000111.8I102 H113 L114 F120 Y121 L368 F372I102-A117 HydrophobicContact CD1-CB 4.01Å; H113-A117 PolarHBondContact O-N 3.11Å; L114-A117 WeakPolarHBondContact O-CB 3.48Å; L114-A117 PolarHBondContact O-N 2.78Å; A117-F120 WeakPolarHBondContact O-CB 3.48Å; A117-F120 PolarHBondContact O-N 3.27Å; A117-Y121 PolarHBondContact O-N 2.77Å; A117-L368 HydrophobicContact CB-CD1 3.93Å; A117-L368 VanDerWaalsContact O-CD1 3.28Å; A117-L368 WeakPolarHBondContact O-CD1 3.37Å; A117-F372 HydrophobicContact CB-CB 4.09Å; A117-F372 HydrophobicContact CB-CD1 4.07Å; A117-F372 HydrophobicContact CB-CD2 3.96Å; A117-F372 HydrophobicContact CB-CE2 4.48Å; A117-F372 HydrophobicContact CB-CG 3.75Å
118R96.6Very high94.6Very high4 Ų438 Ų382%0.01519%0.188CC..Hα-helixtrans-60.9-47.1173.2-72.8-177.2174.311911112.7I101 I102 D104 Y107 L114 Q115 N116 F120 Y121 K122I101-R118 PolarHBondContact O-NH2 2.92Å; I102-R118 HydrophobicContact CD1-CG 3.97Å; I102-R118 HydrophobicContact CG2-CG 4.27Å; I102-R118 WeakPolarHBondContact O-CG 3.2Å; I102-R118 PolarHBondContact O-NE 2.89Å; D104-R118 PolarHBondContact O-NE 2.97Å; D104-R118 PolarHBondContact O-NH2 2.98Å; Y107-R118 VanDerWaalsContact O-CZ 3.31Å; Y107-R118 PolarHBondContact O-NH1 3.48Å; Y107-R118 VanDerWaalsContact O-NH1 3.07Å; Y107-R118 PolarHBondContact O-NH2 2.7Å; L114-R118 WeakPolarHBondContact O-CG 2.96Å; L114-R118 PolarHBondContact O-N 2.91Å; Q115-R118 WeakPolarHBondContact O-CB 3.37Å; Q115-R118 PolarHBondContact O-N 2.71Å; N116-R118 VanDerWaalsContact C-N 3.3Å; N116-R118 PolarHBondContact O-N 2.83Å; R118-F120 VanDerWaalsContact C-N 3.29Å; R118-F120 PolarHBondContact O-N 3.14Å; R118-Y121 PolarHBondContact O-N 2.79Å; R118-K122 WeakPolarHBondContact O-CB 3.3Å; R118-K122 WeakPolarHBondContact O-CG 3.35Å; R118-K122 PolarHBondContact O-N 3.39Å
119K96.5Very high94.5Very high81 Ų8136.5 Ų36.535%0.35218%0.182SC..Hα-helixtrans-61.1-41.6178.2-68.3175.9-168.7168.40111.1Q115 N116 S123 M455 V457Q115-K119 WeakPolarHBondContact O-CG 3.36Å; Q115-K119 PolarHBondContact O-N 3.26Å; N116-K119 PolarHBondContact O-N 2.83Å; K119-S123 WeakPolarHBondContact O-CB 3.24Å; K119-S123 PolarHBondContact O-N 3.06Å; K119-M455 HydrophobicContact CB-CB 3.87Å; K119-M455 WeakPolarHBondContact CD-O 3.33Å; K119-V457 HydrophobicContact CB-CG2 3.85Å; K119-V457 HydrophobicContact CD-CG2 4.47Å; K119-V457 HydrophobicContact CG-CG2 3.7Å
120F97.1Very high94.4Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-59.8-51.5174.4175-103.9000111.8N116 A117 R118 K122 S123 C124 Q367 L368 A371 F372 M455 Y460 N463 E464 I467N116-F120 PolarHBondContact O-N 3.04Å; A117-F120 WeakPolarHBondContact O-CB 3.48Å; A117-F120 PolarHBondContact O-N 3.27Å; R118-F120 VanDerWaalsContact C-N 3.29Å; R118-F120 PolarHBondContact O-N 3.14Å; F120-K122 PolarHBondContact O-N 2.97Å; F120-S123 WeakPolarHBondContact O-CB 3.32Å; F120-S123 PolarHBondContact O-N 3.07Å; F120-S123 VanDerWaalsContact O-N 3.14Å; F120-S123 PolarHBondContact O-OG 3.22Å; F120-C124 PolarHBondContact O-N 3.42Å; F120-Q367 HydrophobicContact CE1-CB 4.06Å; F120-Q367 HydrophobicContact CZ-CB 4.02Å; F120-L368 HydrophobicContact CD1-CB 4.33Å; F120-L368 HydrophobicContact CD1-CD1 3.82Å; F120-L368 HydrophobicContact CE1-CB 4.29Å; F120-A371 HydrophobicContact CD1-CB 4.28Å; F120-A371 HydrophobicContact CE1-CB 3.93Å; F120-A371 HydrophobicContact CZ-CB 4.14Å; F120-F372 HydrophobicContact CB-CE2 3.65Å; F120-F372 HydrophobicContact CB-CZ 4.33Å; F120-F372 HydrophobicContact CD1-CD2 4.3Å; F120-F372 AromaticContact CD1-CE2 4Å; F120-F372 HydrophobicContact CD1-CE2 4Å; F120-F372 AromaticContact CG-CE2 3.8Å; F120-F372 HydrophobicContact CG-CE2 3.8Å; F120-M455 HydrophobicContact CB-CB 4.39Å; F120-M455 HydrophobicContact CB-CG 4.04Å; F120-M455 HydrophobicContact CB-SD 4.11Å; F120-M455 HydrophobicContact CD2-SD 4.1Å; F120-M455 HydrophobicContact CG-SD 4.49Å; F120-Y460 HydrophobicContact CE2-CD2 4.1Å; F120-Y460 AromaticContact CE2-CE2 3.83Å; F120-Y460 HydrophobicContact CE2-CE2 3.83Å; F120-Y460 AromaticContact CZ-CE2 3.89Å; F120-Y460 HydrophobicContact CZ-CE2 3.89Å; F120-N463 HydrophobicContact CD2-CB 3.76Å; F120-N463 HydrophobicContact CE2-CB 4.16Å; F120-E464 HydrophobicContact CE2-CG 4.37Å; F120-E464 VanDerWaalsContact CZ-OE1 3.24Å; F120-E464 WeakPolarHBondContact CZ-OE1 3.46Å; F120-I467 HydrophobicContact CD2-CD1 3.33Å; F120-I467 HydrophobicContact CE1-CD1 4.41Å; F120-I467 HydrophobicContact CE2-CD1 3.13Å; F120-I467 HydrophobicContact CG-CD1 4.05Å; F120-I467 HydrophobicContact CZ-CD1 3.71Å
121Y96.4Very high94.4Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-58.6-47.6179.1-172.6-106.2000112.4W99 I102 A117 R118 S123 C124 V125 P358 H359 D361 C364 I365 L368W99-Y121 AromaticContact CD1-CE1 3.77Å; W99-Y121 AromaticContact CD1-CZ 3.85Å; I102-Y121 HydrophobicContact CG2-CD1 3.48Å; I102-Y121 VanDerWaalsContact CG2-CD1 3.48Å; I102-Y121 HydrophobicContact CG2-CE1 4.33Å; I102-Y121 HydrophobicContact CG2-CG 3.63Å; A117-Y121 PolarHBondContact O-N 2.77Å; R118-Y121 PolarHBondContact O-N 2.79Å; Y121-S123 VanDerWaalsContact C-N 3.3Å; Y121-S123 PolarHBondContact O-N 3.14Å; Y121-C124 WeakPolarHBondContact O-CB 3.43Å; Y121-C124 PolarHBondContact O-N 3.26Å; Y121-C124 VanDerWaalsContact O-N 3.13Å; Y121-V125 HydrophobicContact CD1-CG2 4.16Å; Y121-V125 HydrophobicContact CE1-CG2 3.76Å; Y121-V125 HydrophobicContact CE2-CG2 4.29Å; Y121-V125 WeakPolarHBondContact O-CG2 3.49Å; Y121-V125 PolarHBondContact O-N 2.93Å; Y121-P358 HydrophobicContact CD1-CB 3.96Å; Y121-P358 HydrophobicContact CD1-CG 3.83Å; Y121-P358 HydrophobicContact CE1-CB 3.81Å; Y121-P358 HydrophobicContact CE1-CG 3.92Å; Y121-H359 PolarHBondContact OH-O 2.95Å; Y121-H359 VanDerWaalsContact OH-O 3.13Å; Y121-D361 PolarHBondContact OH-N 2.68Å; Y121-D361 PolarHBondContact OH-O 2.55Å; Y121-C364 HydrophobicContact CD2-CB 3.91Å; Y121-C364 HydrophobicContact CE2-CB 3.51Å; Y121-I365 HydrophobicContact CD2-CD1 3.94Å; Y121-I365 HydrophobicContact CE2-CB 4.45Å; Y121-I365 HydrophobicContact CE2-CD1 3.31Å; Y121-I365 HydrophobicContact CE2-CG1 3.61Å; Y121-L368 HydrophobicContact CD2-CB 4.36Å; Y121-L368 HydrophobicContact CD2-CD2 4.24Å
122K95.5Very high94.3Very high30 Ų3034.3 Ų34.313%0.1317%0.171CC..Hα-helixtrans-58.6-41.6175.8-74179.3174.6-177.20112.1E105 R118 F120 C124 V125 F126 P358 V457E105-K122 IonicContact OE1-NZ 3.11Å; E105-K122 PolarHBondContact OE1-NZ 3.3Å; R118-K122 WeakPolarHBondContact O-CB 3.3Å; R118-K122 WeakPolarHBondContact O-CG 3.35Å; R118-K122 PolarHBondContact O-N 3.39Å; F120-K122 PolarHBondContact O-N 2.97Å; K122-C124 VanDerWaalsContact C-N 3.33Å; K122-C124 PolarHBondContact O-N 3.19Å; K122-V125 PolarHBondContact O-N 3.39Å; K122-F126 HydrophobicContact CB-CD2 4.04Å; K122-F126 HydrophobicContact CB-CE2 4.21Å; K122-F126 HydrophobicContact CG-CD2 4.49Å; K122-F126 HydrophobicContact CG-CE2 4.16Å; K122-F126 WeakPolarHBondContact O-CB 3.43Å; K122-F126 WeakPolarHBondContact O-CD2 3.37Å; K122-F126 PolarHBondContact O-N 3.47Å; K122-P358 HydrophobicContact CG-CB 4.33Å; K122-P358 HydrophobicContact CG-CG 4Å; K122-V457 HydrophobicContact CB-CG1 3.99Å
123S95.6Very high94.3Very high0 Ų031.1 Ų31.10%015%0.148CC..Hα-helixtrans-60.7-43.9176.377.70000111.3K119 F120 Y121 V125 F126 T127 R456 V457 Y460 N463K119-S123 WeakPolarHBondContact O-CB 3.24Å; K119-S123 PolarHBondContact O-N 3.06Å; F120-S123 WeakPolarHBondContact O-CB 3.32Å; F120-S123 PolarHBondContact O-N 3.07Å; F120-S123 VanDerWaalsContact O-N 3.14Å; F120-S123 PolarHBondContact O-OG 3.22Å; Y121-S123 VanDerWaalsContact C-N 3.3Å; Y121-S123 PolarHBondContact O-N 3.14Å; S123-V125 PolarHBondContact O-N 2.05Å; S123-F126 PolarHBondContact O-N 2.67Å; S123-T127 WeakPolarHBondContact O-CA 3.34Å; S123-T127 WeakPolarHBondContact O-CB 3.02Å; S123-T127 PolarHBondContact O-N 3.08Å; S123-T127 PolarHBondContact O-OG1 3.39Å; S123-R456 WeakPolarHBondContact CB-O 3.47Å; S123-V457 VanDerWaalsContact CA-O 3.3Å; S123-V457 WeakPolarHBondContact CA-O 3.38Å; S123-V457 WeakPolarHBondContact CB-O 3.3Å; S123-Y460 WeakPolarHBondContact O-CB 3.45Å; S123-Y460 WeakPolarHBondContact OG-CA 3.38Å; S123-N463 PolarHBondContact OG-ND2 2.83Å
124C95.4Very high94.3Very high0 Ų033.1 Ų33.10%016%0.156CC..Hα-helixtrans-61.4-45.1177.4-175.60000112.1F120 Y121 K122 R128 C364 Y460F120-C124 PolarHBondContact O-N 3.42Å; Y121-C124 WeakPolarHBondContact O-CB 3.43Å; Y121-C124 PolarHBondContact O-N 3.26Å; Y121-C124 VanDerWaalsContact O-N 3.13Å; K122-C124 VanDerWaalsContact C-N 3.33Å; K122-C124 PolarHBondContact O-N 3.19Å; C124-R128 WeakPolarHBondContact O-CB 3.41Å; C124-C364 HydrophobicContact CB-CB 3.77Å; C124-C364 WeakPolarHBondContact CB-SG 3.3Å; C124-C364 WeakPolarHBondContact SG-CA 3.42Å; C124-C364 WeakPolarHBondContact SG-CB 3.29Å; C124-C364 CovalentContact SG-SG 2.04Å; C124-C364 PolarHBondContact SG-SG 3.34Å; C124-Y460 VanDerWaalsContact CA-CD2 3.45Å; C124-Y460 HydrophobicContact CB-CD2 3.54Å; C124-Y460 HydrophobicContact CB-CE2 3.6Å; C124-Y460 HydrophobicContact CB-CG 4.26Å
125V92.5Very high94.3Very high7 Ų737.9 Ų37.94%0.04218%0.181CC..Hα-helixtrans-69.2-42.2-179.2173.90000112Y121 K122 S123 P358 H359 D361 C364Y121-V125 HydrophobicContact CD1-CG2 4.16Å; Y121-V125 HydrophobicContact CE1-CG2 3.76Å; Y121-V125 HydrophobicContact CE2-CG2 4.29Å; Y121-V125 WeakPolarHBondContact O-CG2 3.49Å; Y121-V125 PolarHBondContact O-N 2.93Å; K122-V125 PolarHBondContact O-N 3.39Å; S123-V125 PolarHBondContact O-N 2.05Å; V125-P358 HydrophobicContact CB-CB 4.27Å; V125-P358 HydrophobicContact CG1-CB 4.17Å; V125-P358 HydrophobicContact CG2-CB 4.22Å; V125-H359 VanDerWaalsContact CG1-CE1 3.42Å; V125-H359 WeakPolarHBondContact CG1-CE1 3.42Å; V125-H359 WeakPolarHBondContact CG1-ND1 2.78Å; V125-D361 HydrophobicContact CG2-CB 4.15Å; V125-C364 HydrophobicContact CG2-CB 4.24Å
126F91.4Very high94.4Very high96 Ų9635.9 Ų35.942%0.42117%0.172SC..Hα-helixtrans-100.6-22.3-168.9-61-52.9000115.3K122 S123 P358K122-F126 HydrophobicContact CB-CD2 4.04Å; K122-F126 HydrophobicContact CB-CE2 4.21Å; K122-F126 HydrophobicContact CG-CD2 4.49Å; K122-F126 HydrophobicContact CG-CE2 4.16Å; K122-F126 WeakPolarHBondContact O-CB 3.43Å; K122-F126 WeakPolarHBondContact O-CD2 3.37Å; K122-F126 PolarHBondContact O-N 3.47Å; S123-F126 PolarHBondContact O-N 2.67Å; F126-P358 HydrophobicContact CE2-CB 4.02Å; F126-P358 HydrophobicContact CZ-CB 3.99Å
127T92.3Very high94.4Very high17 Ų1734.8 Ų34.810%0.10417%0.166CC..Hα-helixtrans-124.714.9-171.271.20000113.9S123 D129 T132 V457 Y460S123-T127 WeakPolarHBondContact O-CA 3.34Å; S123-T127 WeakPolarHBondContact O-CB 3.02Å; S123-T127 PolarHBondContact O-N 3.08Å; S123-T127 PolarHBondContact O-OG1 3.39Å; T127-D129 PolarHBondContact O-N 3.05Å; T127-T132 WeakPolarHBondContact O-CB 3.38Å; T127-V457 WeakPolarHBondContact CG2-O 3.28Å; T127-Y460 WeakPolarHBondContact OG1-CB 3.5Å; T127-Y460 PolarHBondContact OG1-N 2.83Å
128R90.7Very high94.4Very high2 Ų235.5 Ų35.51%0.00817%0.169CC..  trans-77.566168.6-174.1-17859.6-163.6-11.6110.2C124 N346 D361 Y460C124-R128 WeakPolarHBondContact O-CB 3.41Å; R128-N346 PolarHBondContact NH2-OD1 3.05Å; R128-D361 IonicContact CZ-OD2 3.78Å; R128-D361 IonicContact NH1-OD1 2.91Å; R128-D361 IonicContact NH1-OD2 3.31Å; R128-D361 PolarHBondContact NH1-OD2 2.94Å; R128-D361 IonicContact NH2-OD2 3.89Å; R128-D361 PolarHBondContact NH2-OD2 3.48Å; R128-Y460 HydrophobicContact CB-CD1 4.17Å; R128-Y460 HydrophobicContact CG-CD1 4.25Å; R128-Y460 HydrophobicContact CG-CE1 4.33Å
129D91.1Very high94.4Very high51 Ų5137.2 Ų37.227%0.27318%0.182SC..SBendtrans-132.3157.1-17872.779.2000112.1T127 K131 T132 T133 Y461T127-D129 PolarHBondContact O-N 3.05Å; D129-K131 VanDerWaalsContact C-N 3.29Å; D129-K131 PolarHBondContact O-N 3.49Å; D129-K131 WeakPolarHBondContact OD1-CA 3.02Å; D129-K131 VanDerWaalsContact OD1-CB 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.47Å; D129-K131 PolarHBondContact OD1-N 3.39Å; D129-T132 PolarHBondContact O-N 2.94Å; D129-T132 PolarHBondContact OD1-N 3.31Å; D129-T132 PolarHBondContact OD1-OG1 3.48Å; D129-T132 WeakPolarHBondContact OD2-CB 3.29Å; D129-T132 PolarHBondContact OD2-OG1 3.01Å; D129-T133 PolarHBondContact O-N 3.42Å; D129-T133 PolarHBondContact O-OG1 2.86Å; D129-Y461 WeakPolarHBondContact O-CE2 3.38Å
130L90.2Very high94.4Very high75 Ų7533.8 Ų33.839%0.39317%0.167SC..Hα-helixtrans-59.8-34.1-175.9176.362000113.5T133 K134 A222 F343L130-T133 PolarHBondContact O-N 2.89Å; L130-K134 VanDerWaalsContact O-CB 3.3Å; L130-K134 WeakPolarHBondContact O-CB 3.38Å; L130-K134 PolarHBondContact O-N 3.33Å; L130-A222 HydrophobicContact CD1-CB 3.99Å; L130-F343 HydrophobicContact CB-CD1 4.2Å; L130-F343 HydrophobicContact CB-CD2 4.26Å; L130-F343 HydrophobicContact CB-CE1 4.4Å; L130-F343 HydrophobicContact CB-CE2 4.42Å; L130-F343 HydrophobicContact CB-CG 4.14Å; L130-F343 HydrophobicContact CB-CZ 4.49Å; L130-F343 HydrophobicContact CD1-CD1 4.16Å; L130-F343 HydrophobicContact CD1-CE1 3.65Å; L130-F343 HydrophobicContact CD1-CZ 3.87Å
131K93.5Very high94.3Very high155 Ų15533.8 Ų33.867%0.67417%0.167SC*.Hα-helixtrans-68.1-48.1-179.1177.1-172.6174.7-172.30109.5D129 T133 K134 L135D129-K131 VanDerWaalsContact C-N 3.29Å; D129-K131 PolarHBondContact O-N 3.49Å; D129-K131 WeakPolarHBondContact OD1-CA 3.02Å; D129-K131 VanDerWaalsContact OD1-CB 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.47Å; D129-K131 PolarHBondContact OD1-N 3.39Å; K131-T133 VanDerWaalsContact C-N 3.34Å; K131-K134 PolarHBondContact O-N 2.8Å; K131-L135 HydrophobicContact CG-CD1 4.01Å; K131-L135 WeakPolarHBondContact O-CB 3.33Å; K131-L135 WeakPolarHBondContact O-CG 2.94Å; K131-L135 PolarHBondContact O-N 2.91Å
132T94.5Very high94.3Very high21 Ų2138.8 Ų38.813%0.12919%0.186CC..Hα-helixtrans-62.8-41.3176.3-53.90000110.7T127 D129 T136 Y461T127-T132 WeakPolarHBondContact O-CB 3.38Å; D129-T132 PolarHBondContact O-N 2.94Å; D129-T132 PolarHBondContact OD1-N 3.31Å; D129-T132 PolarHBondContact OD1-OG1 3.48Å; D129-T132 WeakPolarHBondContact OD2-CB 3.29Å; D129-T132 PolarHBondContact OD2-OG1 3.01Å; T132-T136 VanDerWaalsContact O-CB 3.24Å; T132-T136 WeakPolarHBondContact O-CB 3.34Å; T132-T136 PolarHBondContact O-N 3.11Å; T132-T136 VanDerWaalsContact O-N 3.09Å; T132-T136 PolarHBondContact O-OG1 2.82Å; T132-Y461 HydrophobicContact CG2-CD2 3.99Å; T132-Y461 HydrophobicContact CG2-CE2 4.49Å
133T93.4Very high94.2Very high7 Ų742.1 Ų42.14%0.04321%0.206CC..Hα-helixtrans-55.7-55.2173.9-44.20000111.2D129 L130 K131 T136 Y137 M223 Y461D129-T133 PolarHBondContact O-N 3.42Å; D129-T133 PolarHBondContact O-OG1 2.86Å; L130-T133 PolarHBondContact O-N 2.89Å; K131-T133 VanDerWaalsContact C-N 3.34Å; T133-T136 PolarHBondContact O-N 2.69Å; T133-Y137 HydrophobicContact CG2-CD2 3.61Å; T133-Y137 HydrophobicContact CG2-CE2 3.38Å; T133-Y137 WeakPolarHBondContact O-CD2 3.47Å; T133-Y137 PolarHBondContact O-N 3.01Å; T133-M223 HydrophobicContact CG2-CE 3.92Å; T133-Y461 HydrophobicContact CG2-CD1 4.22Å; T133-Y461 HydrophobicContact CG2-CD2 4.44Å; T133-Y461 HydrophobicContact CG2-CE1 4.09Å; T133-Y461 HydrophobicContact CG2-CE2 4.3Å; T133-Y461 HydrophobicContact CG2-CG 4.4Å; T133-Y461 WeakPolarHBondContact OG1-CE2 3.1Å; T133-Y461 PolarHBondContact OG1-OH 2.85Å
134K94.5Very high94.1Very high77 Ų7744.1 Ų44.134%0.33522%0.216SC..Hα-helixtrans-61.5-51-175.4177.1179.6176.51790111.7L130 K131 T136 Q138L130-K134 VanDerWaalsContact O-CB 3.3Å; L130-K134 WeakPolarHBondContact O-CB 3.38Å; L130-K134 PolarHBondContact O-N 3.33Å; K131-K134 PolarHBondContact O-N 2.8Å; K134-T136 VanDerWaalsContact C-N 3.29Å; K134-T136 PolarHBondContact O-N 3.33Å; K134-Q138 HydrophobicContact CG-CG 4.41Å; K134-Q138 VanDerWaalsContact O-CB 3.3Å; K134-Q138 WeakPolarHBondContact O-CB 3.31Å; K134-Q138 VanDerWaalsContact O-CG 3.26Å; K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-N 3.17Å
135L96.3Very high94.1Very high100 Ų10044.1 Ų44.152%0.52422%0.216SC..Hα-helixtrans-62.1-40-177.8-70.1175.4000111.6K131 S139K131-L135 HydrophobicContact CG-CD1 4.01Å; K131-L135 WeakPolarHBondContact O-CB 3.33Å; K131-L135 WeakPolarHBondContact O-CG 2.94Å; K131-L135 PolarHBondContact O-N 2.91Å; L135-S139 PolarHBondContact O-N 3.05Å
136T96.4Very high94.2Very high6 Ų644.5 Ų44.54%0.03722%0.221CC..Hα-helixtrans-65.7-52.3-179.9-58.90000111.7T132 T133 K134 Q138 S139 L140 N459 L462T132-T136 VanDerWaalsContact O-CB 3.24Å; T132-T136 WeakPolarHBondContact O-CB 3.34Å; T132-T136 PolarHBondContact O-N 3.11Å; T132-T136 VanDerWaalsContact O-N 3.09Å; T132-T136 PolarHBondContact O-OG1 2.82Å; T133-T136 PolarHBondContact O-N 2.69Å; K134-T136 VanDerWaalsContact C-N 3.29Å; K134-T136 PolarHBondContact O-N 3.33Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 3.46Å; T136-S139 WeakPolarHBondContact O-CB 3.21Å; T136-S139 PolarHBondContact O-N 2.77Å; T136-S139 VanDerWaalsContact O-N 3.14Å; T136-L140 HydrophobicContact CG2-CD1 4.05Å; T136-L140 WeakPolarHBondContact O-CG 3.47Å; T136-L140 PolarHBondContact O-N 3.11Å; T136-N459 VanDerWaalsContact OG1-CG 3.3Å; T136-N459 PolarHBondContact OG1-ND2 3.31Å; T136-N459 PolarHBondContact OG1-OD1 3.12Å; T136-L462 HydrophobicContact CG2-CB 3.84Å; T136-L462 HydrophobicContact CG2-CD1 4.47Å
137Y96Very high94.3Very high2 Ų239.9 Ų39.91%0.00820%0.201CC..Hα-helixtrans-70.7-30.1-178.7-64.3-44.5000112.6T133 S139 L140 I141 M223 L333 Q336 Y461T133-Y137 HydrophobicContact CG2-CD2 3.61Å; T133-Y137 HydrophobicContact CG2-CE2 3.38Å; T133-Y137 WeakPolarHBondContact O-CD2 3.47Å; T133-Y137 PolarHBondContact O-N 3.01Å; Y137-S139 VanDerWaalsContact C-N 3.34Å; Y137-L140 HydrophobicContact CD1-CD1 3.93Å; Y137-L140 HydrophobicContact CE1-CD1 4.31Å; Y137-L140 PolarHBondContact O-N 2.86Å; Y137-I141 WeakPolarHBondContact O-CB 3.37Å; Y137-I141 WeakPolarHBondContact O-CD1 3.46Å; Y137-I141 WeakPolarHBondContact O-CG1 3.36Å; Y137-I141 PolarHBondContact O-N 2.89Å; Y137-M223 HydrophobicContact CD2-CE 4.28Å; Y137-M223 HydrophobicContact CD2-SD 3.73Å; Y137-M223 HydrophobicContact CG-SD 4.22Å; Y137-L333 HydrophobicContact CD2-CD2 4.34Å; Y137-L333 HydrophobicContact CG-CD2 4.06Å; Y137-Q336 HydrophobicContact CD1-CB 4.37Å; Y137-Q336 HydrophobicContact CD1-CG 4.21Å; Y137-Q336 HydrophobicContact CE1-CB 3.61Å; Y137-Q336 HydrophobicContact CE1-CG 3.72Å; Y137-Q336 HydrophobicContact CE2-CB 4.36Å; Y137-Y461 HydrophobicContact CE2-CD1 4.32Å
138Q97Very high94.5Very high14 Ų1439.1 Ų39.17%0.06520%0.196CC..Hα-helixtrans-61.5-42.4168.5-77.9-169.50.100112.1K134 T136 I141 R142 I151 S153 I154 M223K134-Q138 HydrophobicContact CG-CG 4.41Å; K134-Q138 VanDerWaalsContact O-CB 3.3Å; K134-Q138 WeakPolarHBondContact O-CB 3.31Å; K134-Q138 VanDerWaalsContact O-CG 3.26Å; K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-N 3.17Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 3.46Å; Q138-I141 PolarHBondContact O-N 2.62Å; Q138-R142 WeakPolarHBondContact O-CB 3.36Å; Q138-R142 PolarHBondContact O-N 2.88Å; Q138-I151 HydrophobicContact CG-CD1 4.49Å; Q138-S153 PolarHBondContact NE2-OG 3.39Å; Q138-S153 PolarHBondContact OE1-OG 3.24Å; Q138-S153 VanDerWaalsContact OE1-OG 3.06Å; Q138-I154 HydrophobicContact CB-CD1 4.2Å; Q138-I154 HydrophobicContact CB-CG2 3.96Å; Q138-I154 HydrophobicContact CG-CD1 4.21Å; Q138-I154 HydrophobicContact CG-CG2 4.47Å; Q138-M223 PolarHBondContact NE2-O 3.44Å
139S96.7Very high94.5Very high40 Ų4046.4 Ų46.428%0.2823%0.228SC..Hα-helixtrans-62.1-50.2174.8-166.70000111.2L135 T136 Y137 I141 R142 D143L135-S139 PolarHBondContact O-N 3.05Å; T136-S139 WeakPolarHBondContact O-CB 3.21Å; T136-S139 PolarHBondContact O-N 2.77Å; T136-S139 VanDerWaalsContact O-N 3.14Å; Y137-S139 VanDerWaalsContact C-N 3.34Å; S139-I141 VanDerWaalsContact C-N 3.31Å; S139-I141 PolarHBondContact O-N 3.44Å; S139-R142 WeakPolarHBondContact O-CB 3.04Å; S139-R142 PolarHBondContact O-N 3.45Å; S139-R142 VanDerWaalsContact O-N 3.13Å; S139-R142 PolarHBondContact OG-NH2 3.15Å; S139-D143 WeakPolarHBondContact O-CB 3.28Å; S139-D143 PolarHBondContact O-N 3.16Å; S139-D143 VanDerWaalsContact O-OD2 3.11Å; S139-D143 PolarHBondContact OG-OD2 3.43Å
140L96Very high94.7Very high10 Ų1044.7 Ų44.75%0.05222%0.219CC..Hα-helixtrans-61.2-39.3179.5-70171.8000111.9T136 Y137 D143 L144 F332 L462 F465T136-L140 HydrophobicContact CG2-CD1 4.05Å; T136-L140 WeakPolarHBondContact O-CG 3.47Å; T136-L140 PolarHBondContact O-N 3.11Å; Y137-L140 HydrophobicContact CD1-CD1 3.93Å; Y137-L140 HydrophobicContact CE1-CD1 4.31Å; Y137-L140 PolarHBondContact O-N 2.86Å; L140-D143 PolarHBondContact O-N 3.46Å; L140-L144 HydrophobicContact CB-CD1 4.5Å; L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 3.2Å; L140-F332 HydrophobicContact CB-CE1 4.4Å; L140-F332 HydrophobicContact CB-CZ 4.17Å; L140-F332 HydrophobicContact CD1-CZ 4.37Å; L140-L462 HydrophobicContact CD2-CD1 4.11Å; L140-F465 HydrophobicContact CD1-CB 4.17Å; L140-F465 HydrophobicContact CD1-CD1 4.21Å; L140-F465 HydrophobicContact CD1-CD2 3.84Å; L140-F465 HydrophobicContact CD1-CE2 4.19Å; L140-F465 HydrophobicContact CD1-CG 3.81Å; L140-F465 HydrophobicContact CD1-CZ 4.49Å; L140-F465 HydrophobicContact CD2-CD1 3.92Å; L140-F465 HydrophobicContact CD2-CE1 3.61Å; L140-F465 HydrophobicContact CD2-CE2 4.24Å; L140-F465 HydrophobicContact CD2-CG 4.33Å; L140-F465 HydrophobicContact CD2-CZ 3.75Å
141I96Very high94.9Very high0 Ų041.2 Ų41.20%020%0.2CC..Hα-helixtrans-63.7-43.9175.4-72166.3000111.1Y137 Q138 S139 D143 F145 W148 I154 I329 F332 L333Y137-I141 WeakPolarHBondContact O-CB 3.37Å; Y137-I141 WeakPolarHBondContact O-CD1 3.46Å; Y137-I141 WeakPolarHBondContact O-CG1 3.36Å; Y137-I141 PolarHBondContact O-N 2.89Å; Q138-I141 PolarHBondContact O-N 2.62Å; S139-I141 VanDerWaalsContact C-N 3.31Å; S139-I141 PolarHBondContact O-N 3.44Å; I141-D143 VanDerWaalsContact C-N 3.31Å; I141-D143 PolarHBondContact O-N 3.33Å; I141-F145 WeakPolarHBondContact O-CA 3.46Å; I141-F145 WeakPolarHBondContact O-CB 3.45Å; I141-F145 PolarHBondContact O-N 3.05Å; I141-W148 HydrophobicContact CD1-CE3 3.96Å; I141-W148 HydrophobicContact CD1-CZ3 4.23Å; I141-W148 HydrophobicContact CG2-CB 3.78Å; I141-I154 HydrophobicContact CB-CD1 4.06Å; I141-I154 HydrophobicContact CG2-CD1 3.78Å; I141-I329 HydrophobicContact CD1-CG2 3.77Å; I141-I329 HydrophobicContact CG1-CG2 4.03Å; I141-I329 HydrophobicContact CG2-CD1 4.39Å; I141-I329 HydrophobicContact CG2-CG2 4.26Å; I141-F332 HydrophobicContact CG1-CD1 4.38Å; I141-F332 HydrophobicContact CG1-CE1 4.31Å; I141-L333 HydrophobicContact CD1-CD1 3.99Å; I141-L333 HydrophobicContact CD1-CD2 3.92Å; I141-L333 HydrophobicContact CD1-CG 4.09Å
142R95.3Very high94.9Very high105 Ų10538.7 Ų38.740%0.39620%0.2SC..Hα-helixtrans-58.3-47.3175.7-175-169.661.4-118.5-12.8111.1Q138 S139 G146 G147Q138-R142 WeakPolarHBondContact O-CB 3.36Å; Q138-R142 PolarHBondContact O-N 2.88Å; S139-R142 WeakPolarHBondContact O-CB 3.04Å; S139-R142 PolarHBondContact O-N 3.45Å; S139-R142 VanDerWaalsContact O-N 3.13Å; S139-R142 PolarHBondContact OG-NH2 3.15Å; R142-G146 WeakPolarHBondContact O-CA 3.48Å; R142-G146 PolarHBondContact O-N 3.23Å; R142-G146 VanDerWaalsContact O-N 3.13Å; R142-G147 PolarHBondContact O-N 3.02Å
143D93.8Very high94.9Very high100 Ų10041.7 Ų41.754%0.53522%0.222SC..Hα-helixtrans-76.4-35.7-171.4-56.3-21.2000112.2S139 L140 I141S139-D143 WeakPolarHBondContact O-CB 3.28Å; S139-D143 PolarHBondContact O-N 3.16Å; S139-D143 VanDerWaalsContact O-OD2 3.11Å; S139-D143 PolarHBondContact OG-OD2 3.43Å; L140-D143 PolarHBondContact O-N 3.46Å; I141-D143 VanDerWaalsContact C-N 3.31Å; I141-D143 PolarHBondContact O-N 3.33Å
144L94.1Very high94.9Very high41 Ų4141.9 Ų41.922%0.21522%0.222CC..Hα-helixtrans-90.4-37.5-178.2-64173.6000113.5L140 S169 F332 F465L140-L144 HydrophobicContact CB-CD1 4.5Å; L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 3.2Å; L144-S169 PolarHBondContact O-OG 2.89Å; L144-F332 HydrophobicContact CD1-CE2 4.04Å; L144-F332 HydrophobicContact CD1-CZ 4.09Å; L144-F465 HydrophobicContact CD1-CE2 4.19Å; L144-F465 HydrophobicContact CD1-CZ 4.04Å
145F95.2Very high94.8Very high0 Ų040.9 Ų40.90%023%0.225CC..Hα-helixtrans-111.1-1.3-171.3-61.2-86.6000113.5I141 V160 L166 I170 R325 I328 I329 F332I141-F145 WeakPolarHBondContact O-CA 3.46Å; I141-F145 WeakPolarHBondContact O-CB 3.45Å; I141-F145 PolarHBondContact O-N 3.05Å; F145-V160 WeakPolarHBondContact O-CB 3.29Å; F145-V160 WeakPolarHBondContact O-CG2 3.49Å; F145-V160 PolarHBondContact O-N 3.3Å; F145-L166 HydrophobicContact CD1-CD2 3.73Å; F145-L166 HydrophobicContact CE1-CD2 4.3Å; F145-I170 HydrophobicContact CZ-CG1 4.14Å; F145-R325 PolarHBondContact O-NH2 3.05Å; F145-I328 HydrophobicContact CE1-CG2 3.98Å; F145-I329 HydrophobicContact CB-CD1 4.13Å; F145-I329 HydrophobicContact CB-CG1 4.1Å; F145-I329 HydrophobicContact CD1-CG1 3.86Å; F145-I329 HydrophobicContact CD2-CG1 4.23Å; F145-I329 HydrophobicContact CE1-CG1 4.36Å; F145-I329 HydrophobicContact CG-CD1 4.37Å; F145-I329 HydrophobicContact CG-CG1 3.79Å; F145-F332 HydrophobicContact CE2-CB 4.1Å; F145-F332 AromaticContact CE2-CD1 3.98Å; F145-F332 HydrophobicContact CE2-CD1 3.98Å; F145-F332 HydrophobicContact CE2-CD2 4.33Å; F145-F332 AromaticContact CE2-CG 3.86Å; F145-F332 HydrophobicContact CE2-CG 3.86Å; F145-F332 HydrophobicContact CZ-CB 3.89Å; F145-F332 HydrophobicContact CZ-CG 4.1Å
146G93.5Very high94.2Very high15 Ų1538.3 Ų38.316%0.15521%0.214CC..SBendtrans69.147.2-175.300000111.8R142 T156 T158 R325R142-G146 WeakPolarHBondContact O-CA 3.48Å; R142-G146 PolarHBondContact O-N 3.23Å; R142-G146 VanDerWaalsContact O-N 3.13Å; G146-T156 PolarHBondContact O-OG1 3.11Å; G146-T158 WeakPolarHBondContact CA-O 3.37Å; G146-T158 VanDerWaalsContact O-O 3.05Å; G146-R325 PolarHBondContact O-NH2 3.06Å
147G94.3Very high93.3Very high0 Ų046.3 Ų46.30%026%0.256CS..  trans85.5-171.3176.700000114.4R142 I154 R325R142-G147 PolarHBondContact O-N 3.02Å; G147-I154 CarbonylContact C-O 3.59Å; G147-I154 WeakPolarHBondContact CA-O 3.35Å; G147-R325 PolarHBondContact O-NH2 3.43Å
148W95.2Very high92.3Very high1 Ų151.4 Ų51.40%0.00429%0.288CS..  trans-152.6111.3171.4-17217.1000110.8I141 L150 I151 I154 V225 I233 T326 I329 M330 L333I141-W148 HydrophobicContact CD1-CE3 3.96Å; I141-W148 HydrophobicContact CD1-CZ3 4.23Å; I141-W148 HydrophobicContact CG2-CB 3.78Å; W148-L150 HydrophobicContact CD2-CB 4.44Å; W148-L150 HydrophobicContact CZ2-CB 4.47Å; W148-L150 HydrophobicContact CZ2-CD1 3.97Å; W148-L150 PolarHBondContact O-N 3.49Å; W148-I151 HydrophobicContact CD2-CD1 4.26Å; W148-I151 HydrophobicContact CD2-CG1 4.25Å; W148-I151 HydrophobicContact CE3-CD1 3.34Å; W148-I151 HydrophobicContact CE3-CG1 3.79Å; W148-I151 HydrophobicContact CZ3-CD1 3.64Å; W148-I151 HydrophobicContact CZ3-CG1 4.25Å; W148-I151 PolarHBondContact O-N 3.16Å; W148-I154 HydrophobicContact CB-CD1 4.06Å; W148-I154 HydrophobicContact CB-CG1 4.42Å; W148-I154 PolarHBondContact N-O 2.84Å; W148-V225 HydrophobicContact CE3-CG2 4.5Å; W148-V225 HydrophobicContact CH2-CG2 3.65Å; W148-V225 HydrophobicContact CZ2-CG2 4.07Å; W148-V225 HydrophobicContact CZ3-CG2 3.9Å; W148-I233 HydrophobicContact CH2-CD1 4.23Å; W148-I233 HydrophobicContact CZ2-CD1 3.85Å; W148-T326 HydrophobicContact CZ2-CG2 3.96Å; W148-I329 HydrophobicContact CB-CD1 4.21Å; W148-I329 HydrophobicContact CD2-CD1 4.31Å; W148-I329 HydrophobicContact CD2-CG2 3.92Å; W148-I329 HydrophobicContact CE3-CG2 3.78Å; W148-I329 HydrophobicContact CG-CD1 3.89Å; W148-I329 HydrophobicContact CH2-CG2 4.25Å; W148-I329 HydrophobicContact CZ2-CG2 4.34Å; W148-I329 HydrophobicContact CZ3-CG2 3.96Å; W148-M330 HydrophobicContact CH2-CG 4.24Å; W148-M330 HydrophobicContact CH2-SD 3.64Å; W148-M330 HydrophobicContact CZ2-CG 4.32Å; W148-M330 HydrophobicContact CZ2-SD 4.28Å; W148-L333 HydrophobicContact CH2-CD1 4.17Å; W148-L333 HydrophobicContact CZ3-CD1 3.81Å
149K92.4Very high91.5Very high154 Ų15453.8 Ų53.867%0.6730%0.299SS*.THydrogen-bonded Turntrans-53.6-25.4-176.1-173.5174.3-177.9175.50115.1I151K149-I151 VanDerWaalsContact C-N 3.28Å; K149-I151 PolarHBondContact O-N 3.27Å
150L94.5Very high90.8Very high16 Ų1653.6 Ų53.68%0.08430%0.296CS..THydrogen-bonded Turntrans-74.9-17.4177.9-59.5-172.4000113.2W148 V225 P226 K229 E232 I233 T326W148-L150 HydrophobicContact CD2-CB 4.44Å; W148-L150 HydrophobicContact CZ2-CB 4.47Å; W148-L150 HydrophobicContact CZ2-CD1 3.97Å; W148-L150 PolarHBondContact O-N 3.49Å; L150-V225 HydrophobicContact CB-CG1 4.26Å; L150-V225 HydrophobicContact CB-CG2 4.2Å; L150-P226 WeakPolarHBondContact O-CD 3.46Å; L150-K229 HydrophobicContact CD2-CB 4.41Å; L150-K229 HydrophobicContact CD2-CD 4.2Å; L150-K229 HydrophobicContact CD2-CG 4.43Å; L150-E232 HydrophobicContact CD1-CB 3.97Å; L150-E232 HydrophobicContact CD2-CB 3.95Å; L150-E232 HydrophobicContact CD2-CG 4.1Å; L150-I233 HydrophobicContact CD1-CD1 3.67Å; L150-I233 HydrophobicContact CD1-CG1 4.42Å; L150-T326 HydrophobicContact CD1-CG2 3.74Å
151I95.4Very high90.3Very high1 Ų156.9 Ų56.91%0.00532%0.316CS..SBendtrans-111.9107179.1-58.6-175.6000108.9Q138 W148 K149 S153 I154 S155 M223 V225Q138-I151 HydrophobicContact CG-CD1 4.49Å; W148-I151 HydrophobicContact CD2-CD1 4.26Å; W148-I151 HydrophobicContact CD2-CG1 4.25Å; W148-I151 HydrophobicContact CE3-CD1 3.34Å; W148-I151 HydrophobicContact CE3-CG1 3.79Å; W148-I151 HydrophobicContact CZ3-CD1 3.64Å; W148-I151 HydrophobicContact CZ3-CG1 4.25Å; W148-I151 PolarHBondContact O-N 3.16Å; K149-I151 VanDerWaalsContact C-N 3.28Å; K149-I151 PolarHBondContact O-N 3.27Å; I151-S153 WeakPolarHBondContact CG2-OG 3.25Å; I151-S153 PolarHBondContact O-N 3.07Å; I151-S153 VanDerWaalsContact O-N 3.09Å; I151-I154 HydrophobicContact CB-CD1 4.29Å; I151-I154 HydrophobicContact CB-CG1 3.75Å; I151-I154 HydrophobicContact CD1-CD1 4.26Å; I151-I154 HydrophobicContact CG2-CD1 4.43Å; I151-I154 HydrophobicContact CG2-CG1 3.79Å; I151-I154 CarbonylContact O-C 3.43Å; I151-I154 PolarHBondContact O-N 2.66Å; I151-I154 VanDerWaalsContact O-N 3.08Å; I151-S155 PolarHBondContact O-N 2.98Å; I151-M223 HydrophobicContact CD1-CB 4.24Å; I151-M223 WeakPolarHBondContact CD1-O 3.01Å; I151-V225 HydrophobicContact CD1-CG2 4.13Å; I151-V225 HydrophobicContact CG1-CG2 3.72Å
152P92.9Very high90Very high102 Ų10260.4 Ų60.466%0.66234%0.336SS*.G310 helixtrans-54.4-35.3-175.8-29.235.5000114.7I154P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 3.13Å
153S93.3Very high89.9Confident85 Ų8555.6 Ų55.659%0.59432%0.318SS*.G310 helixtrans-70.6-16.8-177.557.30000114.9Q138 I151Q138-S153 PolarHBondContact NE2-OG 3.39Å; Q138-S153 PolarHBondContact OE1-OG 3.24Å; Q138-S153 VanDerWaalsContact OE1-OG 3.06Å; I151-S153 WeakPolarHBondContact CG2-OG 3.25Å; I151-S153 PolarHBondContact O-N 3.07Å; I151-S153 VanDerWaalsContact O-N 3.09Å
154I94.3Very high90Very high10 Ų1051 Ų515%0.05129%0.293CS..G310 helixtrans-130.718.4178.362.5166.8000112.2Q138 I141 G147 W148 I151 P152Q138-I154 HydrophobicContact CB-CD1 4.2Å; Q138-I154 HydrophobicContact CB-CG2 3.96Å; Q138-I154 HydrophobicContact CG-CD1 4.21Å; Q138-I154 HydrophobicContact CG-CG2 4.47Å; I141-I154 HydrophobicContact CB-CD1 4.06Å; I141-I154 HydrophobicContact CG2-CD1 3.78Å; G147-I154 CarbonylContact C-O 3.59Å; G147-I154 WeakPolarHBondContact CA-O 3.35Å; W148-I154 HydrophobicContact CB-CD1 4.06Å; W148-I154 HydrophobicContact CB-CG1 4.42Å; W148-I154 PolarHBondContact N-O 2.84Å; I151-I154 HydrophobicContact CB-CD1 4.29Å; I151-I154 HydrophobicContact CB-CG1 3.75Å; I151-I154 HydrophobicContact CD1-CD1 4.26Å; I151-I154 HydrophobicContact CG2-CD1 4.43Å; I151-I154 HydrophobicContact CG2-CG1 3.79Å; I151-I154 CarbonylContact O-C 3.43Å; I151-I154 PolarHBondContact O-N 2.66Å; I151-I154 VanDerWaalsContact O-N 3.08Å; P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 3.13Å
155S91.8Very high90.1Very high57 Ų5751.5 Ų51.540%0.39930%0.296SS..  trans-73.1129.2175.6-176.20000109.4I151I151-S155 PolarHBondContact O-N 2.98Å
156T84.6Confident90Very high45 Ų4551.7 Ų51.728%0.27630%0.297SS..  trans-137.6155.3179.750.80000110G146 T158G146-T156 PolarHBondContact O-OG1 3.11Å; T156-T158 VanDerWaalsContact C-N 3.28Å
157D77.6Confident90.1Very high174 Ų17451 Ų5193%0.9329%0.289SS*.SBendtrans-80.4-12.3175.6-62.2-39.9000112.7E159D157-E159 PolarHBondContact O-N 2.91Å
158T75.1Confident90.1Very high109 Ų10952 Ų5267%0.66930%0.295SS*.  trans-96.676179.754.40000111G146 T156G146-T158 WeakPolarHBondContact CA-O 3.37Å; G146-T158 VanDerWaalsContact O-O 3.05Å; T156-T158 VanDerWaalsContact C-N 3.28Å
159E80.5Confident90Very high65 Ų6552.6 Ų52.630%0.30430%0.299SS..  trans-88.8137.8179.4-59-165.4131.700111.8D157 T161 R325D157-E159 PolarHBondContact O-N 2.91Å; E159-T161 HydrophobicContact CB-CG2 4.48Å; E159-T161 PolarHBondContact O-N 3.19Å; E159-R325 VanDerWaalsContact CD-NH1 3.32Å; E159-R325 IonicContact OE1-CZ 3.05Å; E159-R325 IonicContact OE1-NH1 2.78Å; E159-R325 PolarHBondContact OE1-NH1 3.43Å; E159-R325 IonicContact OE1-NH2 3.37Å; E159-R325 IonicContact OE2-NH1 3.9Å
160V81.7Confident90Very high36 Ų3645.3 Ų45.322%0.21827%0.267CS..  trans-70117.8167.1179.20000108.4F145 D165 L166 R325F145-V160 WeakPolarHBondContact O-CB 3.29Å; F145-V160 WeakPolarHBondContact O-CG2 3.49Å; F145-V160 PolarHBondContact O-N 3.3Å; V160-D165 HydrophobicContact CG1-CB 3.6Å; V160-L166 HydrophobicContact CB-CD2 4.26Å; V160-L166 HydrophobicContact CG1-CD2 4.02Å; V160-L166 HydrophobicContact CG1-CG 4.11Å; V160-R325 WeakPolarHBondContact O-CD 3.21Å; V160-R325 PolarHBondContact O-NE 3.29Å
161T84.4Confident90Very high78 Ų7844.5 Ų44.548%0.47926%0.263SS..  trans-116.1-12.2-18061.50000114E159E159-T161 HydrophobicContact CB-CG2 4.48Å; E159-T161 PolarHBondContact O-N 3.19Å
162D91.2Very high89.8Confident75 Ų7545 Ų4540%0.40127%0.267SS..  trans-71.7130.8176.8-174.4-91.1000110.1T164 D165 L166D162-T164 VanDerWaalsContact C-N 3.28Å; D162-T164 PolarHBondContact O-N 3.06Å; D162-T164 VanDerWaalsContact OD1-CA 3.29Å; D162-T164 WeakPolarHBondContact OD1-CA 3.41Å; D162-T164 WeakPolarHBondContact OD1-CB 3.48Å; D162-T164 PolarHBondContact OD1-N 3.34Å; D162-T164 PolarHBondContact OD1-OG1 2.86Å; D162-D165 HydrophobicContact CB-CB 4.29Å; D162-D165 PolarHBondContact O-N 3.26Å; D162-D165 PolarHBondContact OD1-N 3.05Å; D162-L166 VanDerWaalsContact O-CG 3.28Å; D162-L166 WeakPolarHBondContact O-CG 3.28Å; D162-L166 PolarHBondContact O-N 3.46Å
163L93.1Very high89.6Confident4 Ų440.5 Ų40.52%0.02124%0.237CC..Hα-helixtrans-68-31.7-175.2-169.464.4000111.9F167 Q273 I274 Y312 L324 I328L163-F167 HydrophobicContact CD1-CD2 3.97Å; L163-F167 HydrophobicContact CD1-CE2 3.56Å; L163-F167 HydrophobicContact CD1-CZ 4.48Å; L163-F167 HydrophobicContact CD2-CE2 4.22Å; L163-F167 HydrophobicContact CG-CD2 3.87Å; L163-F167 HydrophobicContact CG-CE2 3.76Å; L163-F167 VanDerWaalsContact O-CD2 3.3Å; L163-F167 WeakPolarHBondContact O-CD2 3.2Å; L163-F167 PolarHBondContact O-N 2.78Å; L163-F167 VanDerWaalsContact O-N 3.13Å; L163-Q273 HydrophobicContact CD2-CB 3.77Å; L163-I274 HydrophobicContact CD2-CD1 4.25Å; L163-I274 HydrophobicContact CG-CD1 4.15Å; L163-Y312 HydrophobicContact CD1-CD1 4.12Å; L163-Y312 HydrophobicContact CD2-CD1 4.29Å; L163-Y312 HydrophobicContact CD2-CG 4.44Å; L163-L324 HydrophobicContact CD1-CD2 4.02Å; L163-I328 HydrophobicContact CD1-CD1 4Å
164T96Very high89.3Confident3 Ų338.3 Ų38.32%0.01822%0.22CC..Hα-helixtrans-65.8-48.6177-460000110D162 L166 F167 L168 I274 N275 Y278 L279D162-T164 VanDerWaalsContact C-N 3.28Å; D162-T164 PolarHBondContact O-N 3.06Å; D162-T164 VanDerWaalsContact OD1-CA 3.29Å; D162-T164 WeakPolarHBondContact OD1-CA 3.41Å; D162-T164 WeakPolarHBondContact OD1-CB 3.48Å; D162-T164 PolarHBondContact OD1-N 3.34Å; D162-T164 PolarHBondContact OD1-OG1 2.86Å; T164-L166 VanDerWaalsContact C-N 3.35Å; T164-L166 PolarHBondContact O-N 3.42Å; T164-F167 PolarHBondContact O-N 3.47Å; T164-L168 VanDerWaalsContact O-CB 3.25Å; T164-L168 WeakPolarHBondContact O-CB 3.35Å; T164-L168 PolarHBondContact O-N 3.06Å; T164-I274 HydrophobicContact CG2-CG2 4.24Å; T164-N275 HydrophobicContact CG2-CB 4.21Å; T164-N275 PolarHBondContact OG1-N 3.06Å; T164-Y278 HydrophobicContact CG2-CD1 3.83Å; T164-Y278 HydrophobicContact CG2-CE1 4.3Å; T164-L279 HydrophobicContact CG2-CB 4.11Å; T164-L279 HydrophobicContact CG2-CD1 4.16Å
165D95.1Very high89.2Confident51 Ų5138 Ų3827%0.27322%0.22SC..Hα-helixtrans-65.7-36.5179.7-70.7-40.6000112.6V160 D162 L168 S169 Y278V160-D165 HydrophobicContact CG1-CB 3.6Å; D162-D165 HydrophobicContact CB-CB 4.29Å; D162-D165 PolarHBondContact O-N 3.26Å; D162-D165 PolarHBondContact OD1-N 3.05Å; D165-L168 PolarHBondContact O-N 2.91Å; D165-S169 PolarHBondContact O-N 3.28Å; D165-S169 VanDerWaalsContact O-N 3.1Å; D165-S169 PolarHBondContact O-OG 3.08Å; D165-Y278 VanDerWaalsContact OD1-CE1 3.26Å; D165-Y278 WeakPolarHBondContact OD1-CE1 3.49Å; D165-Y278 PolarHBondContact OD1-OH 3.25Å
166L94.1Very high89.2Confident4 Ų436.4 Ų36.42%0.02121%0.208CC..Hα-helixtrans-60.4-45.5174.1-74.5175.6000111.8F145 V160 D162 T164 S169 R325 I328F145-L166 HydrophobicContact CD1-CD2 3.73Å; F145-L166 HydrophobicContact CE1-CD2 4.3Å; V160-L166 HydrophobicContact CB-CD2 4.26Å; V160-L166 HydrophobicContact CG1-CD2 4.02Å; V160-L166 HydrophobicContact CG1-CG 4.11Å; D162-L166 VanDerWaalsContact O-CG 3.28Å; D162-L166 WeakPolarHBondContact O-CG 3.28Å; D162-L166 PolarHBondContact O-N 3.46Å; T164-L166 VanDerWaalsContact C-N 3.35Å; T164-L166 PolarHBondContact O-N 3.42Å; L166-S169 WeakPolarHBondContact O-CB 3.31Å; L166-R325 HydrophobicContact CD2-CG 4.15Å; L166-I328 HydrophobicContact CB-CD1 4.03Å; L166-I328 HydrophobicContact CB-CG2 4.27Å; L166-I328 HydrophobicContact CD1-CD1 3.99Å
167F94.4Very high89.6Confident0 Ų034.3 Ų34.30%020%0.195CC..Hα-helixtrans-76.3-33.9177.2-79.7-58.3000113.3L163 T164 S169 I170 I171 S177 L179 I274 Y312 I328L163-F167 HydrophobicContact CD1-CD2 3.97Å; L163-F167 HydrophobicContact CD1-CE2 3.56Å; L163-F167 HydrophobicContact CD1-CZ 4.48Å; L163-F167 HydrophobicContact CD2-CE2 4.22Å; L163-F167 HydrophobicContact CG-CD2 3.87Å; L163-F167 HydrophobicContact CG-CE2 3.76Å; L163-F167 VanDerWaalsContact O-CD2 3.3Å; L163-F167 WeakPolarHBondContact O-CD2 3.2Å; L163-F167 PolarHBondContact O-N 2.78Å; L163-F167 VanDerWaalsContact O-N 3.13Å; T164-F167 PolarHBondContact O-N 3.47Å; F167-S169 PolarHBondContact O-N 3.15Å; F167-I170 PolarHBondContact O-N 3.18Å; F167-I171 HydrophobicContact CB-CD1 4.17Å; F167-I171 WeakPolarHBondContact O-CB 3.48Å; F167-I171 WeakPolarHBondContact O-CG1 3.32Å; F167-I171 PolarHBondContact O-N 3.32Å; F167-S177 VanDerWaalsContact CD1-CB 3.43Å; F167-S177 VanDerWaalsContact CD1-OG 3.26Å; F167-S177 WeakPolarHBondContact CD1-OG 3.46Å; F167-S177 WeakPolarHBondContact CE1-OG 3.32Å; F167-L179 HydrophobicContact CD2-CD2 4Å; F167-L179 HydrophobicContact CE1-CB 3.88Å; F167-L179 HydrophobicContact CE2-CB 3.85Å; F167-L179 HydrophobicContact CE2-CD2 3.55Å; F167-L179 HydrophobicContact CE2-CG 4.34Å; F167-L179 HydrophobicContact CZ-CB 3.49Å; F167-L179 VanDerWaalsContact CZ-CB 3.49Å; F167-L179 HydrophobicContact CZ-CD2 4.11Å; F167-L179 HydrophobicContact CZ-CG 4.43Å; F167-I274 HydrophobicContact CD2-CD1 3.86Å; F167-Y312 HydrophobicContact CE2-CD1 4.23Å; F167-Y312 HydrophobicContact CE2-CE1 4.01Å; F167-Y312 HydrophobicContact CZ-CD1 4.22Å; F167-Y312 AromaticContact CZ-CE1 3.54Å; F167-Y312 HydrophobicContact CZ-CE1 3.54Å; F167-Y312 AromaticContact CZ-CZ 3.75Å; F167-I328 HydrophobicContact CE1-CD1 4.49Å; F167-I328 HydrophobicContact CE2-CD1 4.46Å; F167-I328 HydrophobicContact CZ-CD1 4.21Å
168L94.7Very high90.1Very high22 Ų2226.6 Ų26.612%0.11515%0.154CC..Hα-helixtrans-57.9-37.3175.4-17762.1000110.8T164 D165 I170 S172 Y278 L279 K282T164-L168 VanDerWaalsContact O-CB 3.25Å; T164-L168 WeakPolarHBondContact O-CB 3.35Å; T164-L168 PolarHBondContact O-N 3.06Å; D165-L168 PolarHBondContact O-N 2.91Å; L168-I170 PolarHBondContact O-N 2.82Å; L168-S172 VanDerWaalsContact O-CB 3.26Å; L168-S172 WeakPolarHBondContact O-CB 3.26Å; L168-S172 PolarHBondContact O-N 3.41Å; L168-S172 PolarHBondContact O-OG 3.45Å; L168-Y278 HydrophobicContact CD2-CE1 3.95Å; L168-L279 HydrophobicContact CD1-CG 4.45Å; L168-K282 HydrophobicContact CD1-CB 4.09Å; L168-K282 HydrophobicContact CD2-CB 3.94Å; L168-K282 HydrophobicContact CD2-CG 4.05Å
169S93.2Very high90.9Very high13 Ų1321.4 Ų21.49%0.09112%0.122CC..Hα-helixtrans-60.3-24.9175.1-62.60000114L144 D165 L166 F167 H173L144-S169 PolarHBondContact O-OG 2.89Å; D165-S169 PolarHBondContact O-N 3.28Å; D165-S169 VanDerWaalsContact O-N 3.1Å; D165-S169 PolarHBondContact O-OG 3.08Å; L166-S169 WeakPolarHBondContact O-CB 3.31Å; F167-S169 PolarHBondContact O-N 3.15Å; S169-H173 PolarHBondContact O-CE1 3.29Å; S169-H173 VanDerWaalsContact O-CE1 3.31Å; S169-H173 PolarHBondContact O-ND1 2.88Å
170I93Very high91.6Very high1 Ų118.3 Ų18.31%0.00511%0.108CC..Hα-helixtrans-96.7-51.6177.2-58.2-177000110.4F145 F167 L168 S172 H173 T174 S176 I328 E331 F332F145-I170 HydrophobicContact CZ-CG1 4.14Å; F167-I170 PolarHBondContact O-N 3.18Å; L168-I170 PolarHBondContact O-N 2.82Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 3.32Å; I170-H173 PolarHBondContact O-N 3.37Å; I170-T174 PolarHBondContact O-N 2.96Å; I170-T174 PolarHBondContact O-OG1 3.05Å; I170-S176 WeakPolarHBondContact CG2-O 3.4Å; I170-I328 HydrophobicContact CD1-CG2 3.57Å; I170-I328 HydrophobicContact CG1-CG2 4.44Å; I170-E331 HydrophobicContact CD1-CB 4.3Å; I170-E331 HydrophobicContact CD1-CG 4.04Å; I170-F332 HydrophobicContact CD1-CB 4.2Å; I170-F332 HydrophobicContact CG1-CB 4.15Å
171I93.6Very high92.2Very high0 Ų017.2 Ų17.20%010%0.101CC..Hα-helixtrans-65.2-33.4-171.4-66.6175.9000111.8F167 H173 G175 F180 L182 L283 Y472F167-I171 HydrophobicContact CB-CD1 4.17Å; F167-I171 WeakPolarHBondContact O-CB 3.48Å; F167-I171 WeakPolarHBondContact O-CG1 3.32Å; F167-I171 PolarHBondContact O-N 3.32Å; I171-H173 PolarHBondContact O-N 3.1Å; I171-H173 VanDerWaalsContact O-N 3.12Å; I171-G175 VanDerWaalsContact O-CA 3.28Å; I171-G175 WeakPolarHBondContact O-CA 3.36Å; I171-G175 PolarHBondContact O-N 3.02Å; I171-F180 HydrophobicContact CD1-CD1 4.18Å; I171-F180 HydrophobicContact CD1-CD2 3.93Å; I171-F180 HydrophobicContact CD1-CE1 3.63Å; I171-F180 HydrophobicContact CD1-CE2 3.33Å; I171-F180 HydrophobicContact CD1-CG 4.34Å; I171-F180 HydrophobicContact CD1-CZ 3.17Å; I171-L182 HydrophobicContact CG2-CB 4.25Å; I171-L283 HydrophobicContact CG2-CD1 4.47Å; I171-L283 HydrophobicContact CG2-CD2 4.3Å; I171-Y472 WeakPolarHBondContact O-CE1 3.42Å
172S91.4Very high92.7Very high11 Ų1113.7 Ų13.78%0.0778%0.079CC..Hα-helixtrans-62.1-17.6174.855.90000114.2L168 I170L168-S172 VanDerWaalsContact O-CB 3.26Å; L168-S172 WeakPolarHBondContact O-CB 3.26Å; L168-S172 PolarHBondContact O-N 3.41Å; L168-S172 PolarHBondContact O-OG 3.45Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 3.32Å
173H88.2Confident92.8Very high8 Ų812.3 Ų12.34%0.0377%0.072CC..Hα-helixtrans-104-36.5-177.8-59.489.1000113S169 I170 I171 F465S169-H173 PolarHBondContact O-CE1 3.29Å; S169-H173 VanDerWaalsContact O-CE1 3.31Å; S169-H173 PolarHBondContact O-ND1 2.88Å; I170-H173 PolarHBondContact O-N 3.37Å; I171-H173 PolarHBondContact O-N 3.1Å; I171-H173 VanDerWaalsContact O-N 3.12Å; H173-F465 AromaticContact CD2-CE1 3.93Å; H173-F465 AromaticContact CD2-CE2 3.31Å; H173-F465 WeakPolarHBondContact CD2-CE2 3.36Å; H173-F465 AromaticContact CD2-CZ 3.18Å; H173-F465 WeakPolarHBondContact CD2-CZ 3.45Å; H173-F465 AromaticContact CE1-CZ 3.8Å; H173-F465 AromaticContact CG-CE2 3.83Å; H173-F465 AromaticContact NE2-CE1 3.81Å; H173-F465 AromaticContact NE2-CE2 3.6Å; H173-F465 AromaticContact NE2-CZ 3.02Å; H173-F465 WeakPolarHBondContact NE2-CZ 3.21Å
174T87.9Confident92.9Very high39 Ų3912.1 Ų12.124%0.2397%0.071CC..Hα-helixtrans-125.8-10.9-170.863.50000114I170 S176 Q335I170-T174 PolarHBondContact O-N 2.96Å; I170-T174 PolarHBondContact O-OG1 3.05Å; T174-S176 PolarHBondContact O-N 2.82Å; T174-S176 PolarHBondContact OG1-N 2.75Å; T174-S176 PolarHBondContact OG1-O 2.9Å; T174-S176 VanDerWaalsContact OG1-O 3.1Å; T174-Q335 VanDerWaalsContact CG2-OE1 3.26Å; T174-Q335 PolarHBondContact OG1-OE1 2.68Å
175G92.5Very high92.7Very high4 Ų414.7 Ų14.74%0.0418%0.083CC..SBendtrans679-17300000114.9I171 S181 L182 Y472I171-G175 VanDerWaalsContact O-CA 3.28Å; I171-G175 WeakPolarHBondContact O-CA 3.36Å; I171-G175 PolarHBondContact O-N 3.02Å; G175-S181 CarbonylContact O-C 3.22Å; G175-S181 WeakPolarHBondContact O-CA 3.23Å; G175-S181 WeakPolarHBondContact O-CB 3.39Å; G175-L182 PolarHBondContact O-N 3.39Å; G175-Y472 VanDerWaalsContact CA-OH 3.23Å; G175-Y472 WeakPolarHBondContact CA-OH 3.36Å
176S91.6Very high92.1Very high23 Ų2316.6 Ų16.616%0.1619%0.09CC..BIsolated β-bridgetrans-144.6132.5-175-166.30000112.1I170 T174 S181 Q335I170-S176 WeakPolarHBondContact CG2-O 3.4Å; T174-S176 PolarHBondContact O-N 2.82Å; T174-S176 PolarHBondContact OG1-N 2.75Å; T174-S176 PolarHBondContact OG1-O 2.9Å; T174-S176 VanDerWaalsContact OG1-O 3.1Å; S176-S181 PolarHBondContact OG-OG 3.21Å; S176-Q335 PolarHBondContact O-NE2 3.06Å
177S92Very high91.6Very high0 Ų023 Ų230%012%0.118CC..  trans-127.2178.5167.376.20000111.5F167 L179 F180 G196 R197 E331F167-S177 VanDerWaalsContact CD1-CB 3.43Å; F167-S177 VanDerWaalsContact CD1-OG 3.26Å; F167-S177 WeakPolarHBondContact CD1-OG 3.46Å; F167-S177 WeakPolarHBondContact CE1-OG 3.32Å; S177-L179 PolarHBondContact O-N 3.31Å; S177-L179 PolarHBondContact OG-N 2.93Å; S177-F180 PolarHBondContact N-O 2.92Å; S177-F180 PolarHBondContact OG-N 2.81Å; S177-F180 PolarHBondContact OG-O 3.21Å; S177-G196 CarbonylContact O-C 3.57Å; S177-G196 WeakPolarHBondContact O-CA 3.3Å; S177-R197 PolarHBondContact O-N 3.13Å; S177-E331 WeakPolarHBondContact CA-OE1 3.28Å; S177-E331 VanDerWaalsContact CB-OE1 3.25Å; S177-E331 WeakPolarHBondContact CB-OE1 3.44Å
178H89.4Confident91.2Very high13 Ų1327.3 Ų27.36%0.0614%0.14CC..SBendtrans-65.6-26.4172.2-71.1165.6000112.9R197 I198 M240 R308 E331H178-R197 PolarHBondContact CD2-O 2.99Å; H178-R197 VanDerWaalsContact CD2-O 3.3Å; H178-I198 HydrophobicContact CB-CG1 4.12Å; H178-M240 VanDerWaalsContact CE1-SD 3.55Å; H178-R308 PolarHBondContact O-NH1 3.37Å; H178-R308 VanDerWaalsContact O-NH1 3.16Å; H178-E331 WeakPolarHBondContact CB-OE2 3.4Å; H178-E331 IonicContact CD2-OE1 3.94Å; H178-E331 IonicContact CD2-OE2 3.08Å; H178-E331 IonicContact CE1-OE2 3.02Å; H178-E331 IonicContact CG-OE1 3.57Å; H178-E331 IonicContact CG-OE2 3.94Å; H178-E331 PolarHBondContact N-OE1 2.95Å; H178-E331 IonicContact ND1-OE2 3.18Å; H178-E331 PolarHBondContact ND1-OE2 3.12Å
179L91.8Very high90.8Very high0 Ų030.4 Ų30.40%015%0.153CC..SBendtrans-79.4-53.2177.6-177.660.4000111F167 S177 G196 I274 L305 R308 C309 Y312F167-L179 HydrophobicContact CD2-CD2 4Å; F167-L179 HydrophobicContact CE1-CB 3.88Å; F167-L179 HydrophobicContact CE2-CB 3.85Å; F167-L179 HydrophobicContact CE2-CD2 3.55Å; F167-L179 HydrophobicContact CE2-CG 4.34Å; F167-L179 HydrophobicContact CZ-CB 3.49Å; F167-L179 VanDerWaalsContact CZ-CB 3.49Å; F167-L179 HydrophobicContact CZ-CD2 4.11Å; F167-L179 HydrophobicContact CZ-CG 4.43Å; S177-L179 PolarHBondContact O-N 3.31Å; S177-L179 PolarHBondContact OG-N 2.93Å; L179-G196 PolarHBondContact O-N 3.49Å; L179-G196 VanDerWaalsContact O-N 3.16Å; L179-I274 HydrophobicContact CD2-CD1 3.93Å; L179-I274 HydrophobicContact CD2-CG1 3.95Å; L179-L305 HydrophobicContact CD1-CD1 4.36Å; L179-L305 HydrophobicContact CG-CD1 4.39Å; L179-R308 HydrophobicContact CD1-CB 3.71Å; L179-C309 HydrophobicContact CD1-CB 4.31Å; L179-Y312 HydrophobicContact CB-CE2 4.18Å; L179-Y312 HydrophobicContact CD1-CD2 3.68Å; L179-Y312 HydrophobicContact CD1-CE2 3.79Å; L179-Y312 HydrophobicContact CG-CE2 4.47Å
180F93.7Very high90.8Very high0 Ų029.8 Ų29.80%015%0.148CC..EExtended strand (participates in β ladder)trans-153.7160.4-176.666.1-81.2000112.4I171 S177 L182 I193 S194 G196 I274 W276 L279 L305I171-F180 HydrophobicContact CD1-CD1 4.18Å; I171-F180 HydrophobicContact CD1-CD2 3.93Å; I171-F180 HydrophobicContact CD1-CE1 3.63Å; I171-F180 HydrophobicContact CD1-CE2 3.33Å; I171-F180 HydrophobicContact CD1-CG 4.34Å; I171-F180 HydrophobicContact CD1-CZ 3.17Å; S177-F180 PolarHBondContact N-O 2.92Å; S177-F180 PolarHBondContact OG-N 2.81Å; S177-F180 PolarHBondContact OG-O 3.21Å; F180-L182 HydrophobicContact CE2-CB 4.43Å; F180-I193 HydrophobicContact CB-CG2 4.04Å; F180-I193 HydrophobicContact CD2-CG2 4.25Å; F180-I193 HydrophobicContact CG-CG2 4.47Å; F180-S194 CarbonylContact C-O 3.53Å; F180-S194 WeakPolarHBondContact CA-O 3.45Å; F180-G196 VanDerWaalsContact CA-N 3.31Å; F180-I274 HydrophobicContact CE1-CD1 4.47Å; F180-I274 HydrophobicContact CE1-CG1 4.36Å; F180-W276 HydrophobicContact CD1-CH2 4.05Å; F180-W276 HydrophobicContact CD2-CH2 4.02Å; F180-W276 HydrophobicContact CD2-CZ3 4.03Å; F180-W276 AromaticContact CE1-CH2 3.92Å; F180-W276 HydrophobicContact CE1-CH2 3.92Å; F180-W276 HydrophobicContact CE1-CZ3 4.25Å; F180-W276 AromaticContact CE2-CH2 3.87Å; F180-W276 HydrophobicContact CE2-CH2 3.87Å; F180-W276 AromaticContact CE2-CZ3 3.55Å; F180-W276 HydrophobicContact CE2-CZ3 3.55Å; F180-W276 HydrophobicContact CG-CH2 4.08Å; F180-W276 AromaticContact CZ-CH2 3.81Å; F180-W276 HydrophobicContact CZ-CH2 3.81Å; F180-W276 AromaticContact CZ-CZ3 3.66Å; F180-W276 HydrophobicContact CZ-CZ3 3.66Å; F180-L279 HydrophobicContact CE2-CD1 4.45Å; F180-L279 HydrophobicContact CE2-CD2 4.38Å; F180-L279 HydrophobicContact CZ-CD1 3.68Å; F180-L279 HydrophobicContact CZ-CD2 4.38Å; F180-L305 HydrophobicContact CB-CD1 3.95Å
181S94.3Very high90.9Very high12 Ų1229.8 Ų29.88%0.08415%0.148CC..EExtended strand (participates in β ladder)trans-115.1143.9166.7-440000109.7G175 S176 I193 S194G175-S181 CarbonylContact O-C 3.22Å; G175-S181 WeakPolarHBondContact O-CA 3.23Å; G175-S181 WeakPolarHBondContact O-CB 3.39Å; S176-S181 PolarHBondContact OG-OG 3.21Å; S181-I193 WeakPolarHBondContact O-CA 3.1Å; S181-S194 PolarHBondContact N-O 3.07Å; S181-S194 PolarHBondContact O-N 3.36Å
182L95.1Very high91Very high4 Ų430.7 Ų30.72%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-122.8125.9-179-168.6160.8000109.9I171 G175 F180 I191 L279 F280 L283 Y472I171-L182 HydrophobicContact CG2-CB 4.25Å; G175-L182 PolarHBondContact O-N 3.39Å; F180-L182 HydrophobicContact CE2-CB 4.43Å; L182-I191 HydrophobicContact CD1-CG2 4.26Å; L182-I191 HydrophobicContact CD2-CG2 4.27Å; L182-I191 HydrophobicContact CG-CG2 4.05Å; L182-L279 HydrophobicContact CD1-CD2 3.77Å; L182-F280 HydrophobicContact CD1-CD1 3.82Å; L182-F280 HydrophobicContact CD1-CE1 3.64Å; L182-L283 HydrophobicContact CD1-CD2 3.63Å; L182-L283 HydrophobicContact CD2-CD2 3.46Å; L182-L283 VanDerWaalsContact CD2-CD2 3.46Å; L182-L283 HydrophobicContact CG-CD2 4.05Å; L182-Y472 PolarHBondContact O-OH 2.84Å
183N94.2Very high91.2Very high46 Ų4630.2 Ų30.225%0.24615%0.15CC..EExtended strand (participates in β ladder)trans-142.7176.1171.6-149.2-28.4000110.3N192 R479N183-N192 PolarHBondContact N-O 3.2Å; N183-N192 PolarHBondContact O-N 3.42Å; N183-R479 PolarHBondContact ND2-NH1 3.46Å; N183-R479 PolarHBondContact OD1-NH1 2.61Å
184I94.2Very high91.4Very high0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-104.1132.4171.3-57.6-60.1000108.7A190 I191 L284 L295 L476 R479 L480I184-A190 CarbonylContact C-O 3.51Å; I184-A190 WeakPolarHBondContact CA-O 3.34Å; I184-I191 HydrophobicContact CD1-CG1 4.07Å; I184-L284 HydrophobicContact CD1-CD2 4.35Å; I184-L295 HydrophobicContact CD1-CD1 4.5Å; I184-L476 HydrophobicContact CG1-CD2 3.84Å; I184-R479 HydrophobicContact CB-CB 3.88Å; I184-R479 HydrophobicContact CG2-CB 3.84Å; I184-R479 WeakPolarHBondContact O-CD 3.28Å; I184-R479 PolarHBondContact O-NH1 2.82Å; I184-L480 HydrophobicContact CD1-CD2 3.98Å; I184-L480 HydrophobicContact CD1-CG 4.45Å; I184-L480 HydrophobicContact CG1-CD1 4.37Å; I184-L480 HydrophobicContact CG1-CD2 4Å; I184-L480 HydrophobicContact CG1-CG 3.97Å; I184-L480 HydrophobicContact CG2-CD2 4.04Å; I184-L480 HydrophobicContact CG2-CG 4.26Å
185E91.5Very high91.4Very high57 Ų5730.2 Ų30.227%0.26615%0.152SC..EExtended strand (participates in β ladder)trans-85.1107.7167.1174.452.2-121.400108.5K187 I188 F189 A190 I298E185-K187 VanDerWaalsContact C-N 3.29Å; E185-K187 PolarHBondContact O-N 3.33Å; E185-K187 WeakPolarHBondContact OE1-CB 2.88Å; E185-K187 WeakPolarHBondContact OE1-CG 3.42Å; E185-K187 PolarHBondContact OE1-N 2.89Å; E185-K187 VanDerWaalsContact OE1-N 3.15Å; E185-I188 HydrophobicContact CB-CG1 4.42Å; E185-I188 HydrophobicContact CG-CG1 3.77Å; E185-F189 VanDerWaalsContact O-CA 3.3Å; E185-F189 WeakPolarHBondContact O-CA 3.23Å; E185-F189 PolarHBondContact O-N 2.79Å; E185-A190 PolarHBondContact N-O 3.38Å; E185-A190 PolarHBondContact O-N 3.23Å; E185-I298 HydrophobicContact CB-CD1 4.09Å; E185-I298 HydrophobicContact CG-CD1 4.25Å
186E83.5Confident91Very high91 Ų9130 Ų3043%0.42515%0.15SC..THydrogen-bonded Turntrans-65.9-27-172.565.6-174.2-169.300113.5R479E186-R479 HydrophobicContact CB-CB 4.03Å; E186-R479 HydrophobicContact CB-CG 4.02Å
187K82.8Confident90.1Very high138 Ų13838.1 Ų38.160%0.618%0.177SC*.THydrogen-bonded Turntrans-74.6-32.2-174.8-68.1176.2-176.2167.50113.5E185E185-K187 VanDerWaalsContact C-N 3.29Å; E185-K187 PolarHBondContact O-N 3.33Å; E185-K187 WeakPolarHBondContact OE1-CB 2.88Å; E185-K187 WeakPolarHBondContact OE1-CG 3.42Å; E185-K187 PolarHBondContact OE1-N 2.89Å; E185-K187 VanDerWaalsContact OE1-N 3.15Å
188I86.3Confident88.9Confident92 Ų9238.6 Ų38.647%0.47218%0.179SC..THydrogen-bonded Turntrans-122.99.2-177.760163.2000112.6E185 A190 I298E185-I188 HydrophobicContact CB-CG1 4.42Å; E185-I188 HydrophobicContact CG-CG1 3.77Å; I188-A190 HydrophobicContact CD1-CB 4.05Å; I188-A190 HydrophobicContact CG1-CB 3.93Å; I188-A190 PolarHBondContact O-N 2.88Å; I188-I298 HydrophobicContact CD1-CD1 3.47Å; I188-I298 VanDerWaalsContact CD1-CD1 3.47Å; I188-I298 HydrophobicContact CD1-CG1 4.19Å; I188-I298 HydrophobicContact CG1-CD1 4.14Å
189F86.8Confident87.5Confident86 Ų8639 Ų3938%0.37718%0.182SC..THydrogen-bonded Turntrans47.460.2179.2-57.9-79.4000111.5E185 L295 R479 N482E185-F189 VanDerWaalsContact O-CA 3.3Å; E185-F189 WeakPolarHBondContact O-CA 3.23Å; E185-F189 PolarHBondContact O-N 2.79Å; F189-L295 HydrophobicContact CB-CD2 4.38Å; F189-L295 WeakPolarHBondContact O-CD2 3.44Å; F189-R479 WeakPolarHBondContact CD1-O 3.28Å; F189-R479 WeakPolarHBondContact CE1-O 3.49Å; F189-N482 HydrophobicContact CE1-CB 4.22Å; F189-N482 HydrophobicContact CZ-CB 4.24Å
190A92.7Very high85.8Confident0 Ų041.9 Ų41.90%020%0.195CC..EExtended strand (participates in β ladder)trans-125.5145.1-175.400000111.3I184 E185 I188 N192 S296 I298I184-A190 CarbonylContact C-O 3.51Å; I184-A190 WeakPolarHBondContact CA-O 3.34Å; E185-A190 PolarHBondContact N-O 3.38Å; E185-A190 PolarHBondContact O-N 3.23Å; I188-A190 HydrophobicContact CD1-CB 4.05Å; I188-A190 HydrophobicContact CG1-CB 3.93Å; I188-A190 PolarHBondContact O-N 2.88Å; A190-N192 PolarHBondContact O-N 3.23Å; A190-S296 CarbonylContact C-O 3.57Å; A190-S296 WeakPolarHBondContact CA-O 3.36Å; A190-S296 VanDerWaalsContact CB-O 3.26Å; A190-S296 WeakPolarHBondContact CB-O 3.43Å; A190-I298 HydrophobicContact CB-CD1 3.75Å; A190-I298 HydrophobicContact CB-CG1 3.87Å
191I95.2Very high83.7Confident2 Ų245.2 Ų45.21%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-70.2117168.1-58.9174.2000107L182 I184 I193 F280 L284 L295 S296 I297 I298L182-I191 HydrophobicContact CD1-CG2 4.26Å; L182-I191 HydrophobicContact CD2-CG2 4.27Å; L182-I191 HydrophobicContact CG-CG2 4.05Å; I184-I191 HydrophobicContact CD1-CG1 4.07Å; I191-I193 HydrophobicContact CG2-CG1 4.31Å; I191-F280 HydrophobicContact CD1-CD1 4.14Å; I191-F280 HydrophobicContact CD1-CD2 3.88Å; I191-F280 HydrophobicContact CD1-CE1 4.3Å; I191-F280 HydrophobicContact CD1-CE2 4.04Å; I191-F280 HydrophobicContact CD1-CG 3.93Å; I191-F280 HydrophobicContact CD1-CZ 4.24Å; I191-F280 HydrophobicContact CG2-CD1 4.48Å; I191-F280 HydrophobicContact CG2-CE1 3.88Å; I191-F280 HydrophobicContact CG2-CZ 4.08Å; I191-L284 HydrophobicContact CD1-CD1 4.09Å; I191-L295 HydrophobicContact CD1-CB 4.33Å; I191-L295 HydrophobicContact CD1-CD1 4.21Å; I191-L295 HydrophobicContact CG1-CB 4.05Å; I191-L295 HydrophobicContact CG1-CD1 3.86Å; I191-S296 PolarHBondContact N-O 2.96Å; I191-I297 HydrophobicContact CB-CG1 4.45Å; I191-I297 CarbonylContact O-C 3.51Å; I191-I297 WeakPolarHBondContact O-CA 3.28Å; I191-I298 PolarHBondContact O-N 2.83Å
192N95.4Very high81.2Confident19 Ų1950.7 Ų50.710%0.10225%0.251CS..EExtended strand (participates in β ladder)trans-101.3116176.4-17410.7000110.1N183 A190 E300N183-N192 PolarHBondContact N-O 3.2Å; N183-N192 PolarHBondContact O-N 3.42Å; A190-N192 PolarHBondContact O-N 3.23Å; N192-E300 PolarHBondContact ND2-OE1 3.5Å; N192-E300 PolarHBondContact OD1-OE1 2.99Å
193I96.1Very high78.9Confident1 Ų154.4 Ų54.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-102.4116173.2-58.8172.9000108.3F180 S181 I191 L267 W276 F280 I297 I298 I299 E300 L305F180-I193 HydrophobicContact CB-CG2 4.04Å; F180-I193 HydrophobicContact CD2-CG2 4.25Å; F180-I193 HydrophobicContact CG-CG2 4.47Å; S181-I193 WeakPolarHBondContact O-CA 3.1Å; I191-I193 HydrophobicContact CG2-CG1 4.31Å; I193-L267 HydrophobicContact CD1-CD1 3.83Å; I193-L267 HydrophobicContact CD1-CD2 3.41Å; I193-L267 VanDerWaalsContact CD1-CD2 3.41Å; I193-L267 HydrophobicContact CD1-CG 4.28Å; I193-W276 HydrophobicContact CD1-CE3 4.12Å; I193-W276 HydrophobicContact CD1-CH2 4.05Å; I193-W276 HydrophobicContact CD1-CZ3 3.66Å; I193-W276 HydrophobicContact CG1-CZ3 4.5Å; I193-W276 HydrophobicContact CG2-CH2 4.49Å; I193-F280 HydrophobicContact CD1-CE1 4.42Å; I193-F280 HydrophobicContact CD1-CZ 4.02Å; I193-I297 HydrophobicContact CD1-CG2 4.05Å; I193-I298 PolarHBondContact N-O 3.08Å; I193-I299 WeakPolarHBondContact O-CA 3.39Å; I193-E300 PolarHBondContact O-N 3.09Å; I193-L305 HydrophobicContact CG2-CD2 3.99Å
194S92.6Very high76.8Confident30 Ų3054.5 Ų54.521%0.2130%0.295CS..EExtended strand (participates in β ladder)trans-113.2160.2173.154.60000110.5F180 S181 G196F180-S194 CarbonylContact C-O 3.53Å; F180-S194 WeakPolarHBondContact CA-O 3.45Å; S181-S194 PolarHBondContact N-O 3.07Å; S181-S194 PolarHBondContact O-N 3.36Å; S194-G196 PolarHBondContact O-N 3.14Å
195P87Confident74.9Confident16 Ų1662.1 Ų62.110%0.10433%0.33CS..EExtended strand (participates in β ladder)trans-57.4144.4175.4-25.136.9000110.8E300 K301 Q304P195-E300 WeakPolarHBondContact CD-O 3.38Å; P195-K301 HydrophobicContact CG-CB 3.65Å; P195-K301 HydrophobicContact CG-CD 3.93Å; P195-K301 HydrophobicContact CG-CG 4.32Å; P195-Q304 HydrophobicContact CB-CB 4.37Å; P195-Q304 HydrophobicContact CG-CB 4.09Å; P195-Q304 VanDerWaalsContact CG-OE1 3.28Å
196G85.4Confident73.4Confident0 Ų062.3 Ų62.30%033%0.329CS..PPolyproline II helixtrans-58.9147.4176.200000111.2S177 L179 F180 S194 R308S177-G196 CarbonylContact O-C 3.57Å; S177-G196 WeakPolarHBondContact O-CA 3.3Å; L179-G196 PolarHBondContact O-N 3.49Å; L179-G196 VanDerWaalsContact O-N 3.16Å; F180-G196 VanDerWaalsContact CA-N 3.31Å; S194-G196 PolarHBondContact O-N 3.14Å; G196-R308 PolarHBondContact O-NH1 3.02Å
197R72.8Confident72.4Confident194 Ų19464 Ų6473%0.73235%0.345SS*.PPolyproline II helixtrans-83.8125.1172.7-67.4-173.8179.8-163.70.4107.9S177 H178S177-R197 PolarHBondContact O-N 3.13Å; H178-R197 PolarHBondContact CD2-O 2.99Å; H178-R197 VanDerWaalsContact CD2-O 3.3Å
198I66.5Low72Confident10 Ų1059.3 Ų59.35%0.05133%0.33CS..  trans-109.5154.8170.5-47.8172000108.6H178 F200 D201 L243 S244 R308H178-I198 HydrophobicContact CB-CG1 4.12Å; I198-F200 PolarHBondContact O-N 3.29Å; I198-D201 PolarHBondContact O-N 3.37Å; I198-L243 WeakPolarHBondContact CD1-O 3.49Å; I198-S244 WeakPolarHBondContact CG2-OG 3.12Å; I198-R308 VanDerWaalsContact CD1-CZ 3.48Å
199V60.1Low71.9Confident20 Ų2058.5 Ų58.512%0.12133%0.326CS..THydrogen-bonded Turntrans-55.8-12.6-167.8-173.50000114.5S204 W206 F212V199-S204 WeakPolarHBondContact O-CB 3.19Å; V199-S204 PolarHBondContact O-OG 2.9Å; V199-W206 HydrophobicContact CG1-CG 4.13Å; V199-F212 HydrophobicContact CB-CD1 4.13Å; V199-F212 HydrophobicContact CB-CE1 3.7Å; V199-F212 HydrophobicContact CB-CZ 4.08Å; V199-F212 HydrophobicContact CG1-CD1 3.64Å; V199-F212 HydrophobicContact CG1-CD2 3.99Å; V199-F212 HydrophobicContact CG1-CE1 3.52Å; V199-F212 HydrophobicContact CG1-CE2 3.91Å; V199-F212 HydrophobicContact CG1-CG 3.9Å; V199-F212 HydrophobicContact CG1-CZ 3.7Å; V199-F212 HydrophobicContact CG2-CD1 4.47Å; V199-F212 HydrophobicContact CG2-CE1 3.57Å; V199-F212 HydrophobicContact CG2-CE2 4.44Å; V199-F212 HydrophobicContact CG2-CZ 3.59Å
200F54.6Low71.8Confident61 Ų6160.1 Ų60.127%0.26834%0.338SS..THydrogen-bonded Turntrans-116.311.7177.1-57.1-75.3000114.5I198 I209 F212 I241I198-F200 PolarHBondContact O-N 3.29Å; F200-I209 HydrophobicContact CD1-CG1 4.21Å; F200-I209 HydrophobicContact CD2-CG1 4.46Å; F200-I209 HydrophobicContact CE1-CB 4.38Å; F200-I209 HydrophobicContact CE1-CG1 3.67Å; F200-I209 HydrophobicContact CE2-CG1 3.98Å; F200-I209 HydrophobicContact CZ-CB 4.07Å; F200-I209 HydrophobicContact CZ-CG1 3.56Å; F200-I209 HydrophobicContact CZ-CG2 4.46Å; F200-F212 HydrophobicContact CE2-CD1 4.03Å; F200-F212 HydrophobicContact CZ-CB 4.01Å; F200-F212 AromaticContact CZ-CD1 3.81Å; F200-F212 HydrophobicContact CZ-CD1 3.81Å; F200-F212 HydrophobicContact CZ-CG 4.27Å; F200-I241 HydrophobicContact CD2-CD1 4.05Å; F200-I241 HydrophobicContact CE2-CD1 3.37Å; F200-I241 HydrophobicContact CZ-CD1 4.24Å
201D50.6Low71.4Confident70 Ų7064.5 Ų64.537%0.37436%0.359SS..SBendtrans-67.1152166.8-93.6-37.6000110I198 G203 S204 R308I198-D201 PolarHBondContact O-N 3.37Å; D201-G203 PolarHBondContact O-N 3.07Å; D201-S204 PolarHBondContact O-N 3.38Å; D201-S204 VanDerWaalsContact O-N 3.15Å; D201-S204 PolarHBondContact O-OG 3.42Å; D201-R308 IonicContact OD2-NH2 3.69Å
202S42.5Very low71Confident127 Ų12764.5 Ų64.589%0.88836%0.359SS*.THydrogen-bonded Turntrans-49.2121.8-176.652.30000111.6
203G45.3Very low70.8Confident83 Ų8365.8 Ų65.886%0.85636%0.364SS*.THydrogen-bonded Turntrans103.57.7-176.900000114.9D201D201-G203 PolarHBondContact O-N 3.07Å
204S51.4Low70.5Confident48 Ų4869.4 Ų69.434%0.33639%0.386SS..  trans-68.7139.8171.4380000112.7V199 D201 W206V199-S204 WeakPolarHBondContact O-CB 3.19Å; V199-S204 PolarHBondContact O-OG 2.9Å; D201-S204 PolarHBondContact O-N 3.38Å; D201-S204 VanDerWaalsContact O-N 3.15Å; D201-S204 PolarHBondContact O-OG 3.42Å; S204-W206 PolarHBondContact O-N 3.27Å
205E54.4Low70.2Confident159 Ų15970.3 Ų70.374%0.74339%0.388SS*.SBendtrans-70.7-17.8179.6-68.2-179.6165.100113.1
206W58.8Low70.5Confident62 Ų6269.5 Ų69.524%0.23538%0.383CS..  trans-88.8122.3-172.7-52.1102.8000112V199 S204 F212 I215 L338V199-W206 HydrophobicContact CG1-CG 4.13Å; S204-W206 PolarHBondContact O-N 3.27Å; W206-F212 HydrophobicContact CB-CB 4.38Å; W206-F212 AromaticContact CD1-CD2 3.99Å; W206-F212 AromaticContact CD2-CD2 3.98Å; W206-F212 HydrophobicContact CD2-CD2 3.98Å; W206-F212 AromaticContact CE2-CD2 3.73Å; W206-F212 HydrophobicContact CG-CB 4.26Å; W206-F212 HydrophobicContact CG-CD2 4.08Å; W206-F212 HydrophobicContact CG-CG 4.35Å; W206-F212 HydrophobicContact CZ2-CD2 4.27Å; W206-F212 AromaticContact NE1-CD2 3.71Å; W206-F212 AromaticContact NE1-CE2 3.92Å; W206-I215 HydrophobicContact CE3-CD1 3.83Å; W206-I215 HydrophobicContact CH2-CD1 3.22Å; W206-I215 HydrophobicContact CH2-CG1 4.41Å; W206-I215 HydrophobicContact CH2-CG2 4.11Å; W206-I215 HydrophobicContact CZ2-CD1 4.25Å; W206-I215 HydrophobicContact CZ2-CG2 4.36Å; W206-I215 HydrophobicContact CZ3-CD1 2.97Å; W206-I215 HydrophobicContact CZ3-CG1 4.39Å; W206-L338 HydrophobicContact CZ2-CD2 3.74Å
207T62.4Low70.9Confident125 Ų12570.1 Ų70.177%0.76739%0.386SS*.SBendtrans-75.8-23.6-178.3330000114E211T207-E211 PolarHBondContact OG1-OE2 3.05Å
208S76Confident71.8Confident40 Ų4067 Ų6728%0.2838%0.378SS..  trans-148.9154.7179.167.60000113.3D210 E211 F212S208-D210 VanDerWaalsContact C-N 3.27Å; S208-D210 PolarHBondContact O-N 3.44Å; S208-E211 PolarHBondContact N-OE2 3.5Å; S208-E211 WeakPolarHBondContact OG-CB 3.5Å; S208-E211 WeakPolarHBondContact OG-CG 3.49Å; S208-E211 PolarHBondContact OG-N 2.89Å; S208-E211 PolarHBondContact OG-OE2 3.49Å; S208-F212 PolarHBondContact O-N 2.87Å
209I83.1Confident73.1Confident76 Ų7667.2 Ų67.239%0.3938%0.379SS..Hα-helixtrans-61.6-39.3173.9-65.5172.3000110.6F200 F212 E213 F237 I241F200-I209 HydrophobicContact CD1-CG1 4.21Å; F200-I209 HydrophobicContact CD2-CG1 4.46Å; F200-I209 HydrophobicContact CE1-CB 4.38Å; F200-I209 HydrophobicContact CE1-CG1 3.67Å; F200-I209 HydrophobicContact CE2-CG1 3.98Å; F200-I209 HydrophobicContact CZ-CB 4.07Å; F200-I209 HydrophobicContact CZ-CG1 3.56Å; F200-I209 HydrophobicContact CZ-CG2 4.46Å; I209-F212 PolarHBondContact O-N 2.96Å; I209-E213 PolarHBondContact O-N 3.39Å; I209-F237 HydrophobicContact CG2-CE1 4.01Å; I209-F237 HydrophobicContact CG2-CZ 3.86Å; I209-I241 HydrophobicContact CG2-CD1 3.95Å; I209-I241 HydrophobicContact CG2-CG1 4.32Å
210D85.4Confident74.8Confident119 Ų11966.2 Ų66.264%0.63637%0.373SS*.Hα-helixtrans-65.7-42.1-177.5-60.9-22.8000112.1S208 F212 E213 V214S208-D210 VanDerWaalsContact C-N 3.27Å; S208-D210 PolarHBondContact O-N 3.44Å; D210-F212 VanDerWaalsContact C-N 3.31Å; D210-F212 PolarHBondContact O-N 3.28Å; D210-E213 PolarHBondContact O-N 3.36Å; D210-V214 WeakPolarHBondContact O-CG2 3.26Å; D210-V214 PolarHBondContact O-N 2.98Å
211E84.2Confident76.8Confident93 Ų9365.1 Ų65.144%0.43537%0.368SS..Hα-helixtrans-63.3-39.3174.5-75.3163.6153.100111.7T207 S208 V214 I215T207-E211 PolarHBondContact OG1-OE2 3.05Å; S208-E211 PolarHBondContact N-OE2 3.5Å; S208-E211 WeakPolarHBondContact OG-CB 3.5Å; S208-E211 WeakPolarHBondContact OG-CG 3.49Å; S208-E211 PolarHBondContact OG-N 2.89Å; S208-E211 PolarHBondContact OG-OE2 3.49Å; E211-V214 PolarHBondContact O-N 2.98Å; E211-I215 PolarHBondContact O-N 3.12Å
212F86.2Confident78.8Confident1 Ų163 Ų630%0.00436%0.361CS..Hα-helixtrans-68.6-37.6177.6-174.5-128.3000112V199 F200 W206 S208 I209 D210 V214 I215 Y216 F237 M240 V334V199-F212 HydrophobicContact CB-CD1 4.13Å; V199-F212 HydrophobicContact CB-CE1 3.7Å; V199-F212 HydrophobicContact CB-CZ 4.08Å; V199-F212 HydrophobicContact CG1-CD1 3.64Å; V199-F212 HydrophobicContact CG1-CD2 3.99Å; V199-F212 HydrophobicContact CG1-CE1 3.52Å; V199-F212 HydrophobicContact CG1-CE2 3.91Å; V199-F212 HydrophobicContact CG1-CG 3.9Å; V199-F212 HydrophobicContact CG1-CZ 3.7Å; V199-F212 HydrophobicContact CG2-CD1 4.47Å; V199-F212 HydrophobicContact CG2-CE1 3.57Å; V199-F212 HydrophobicContact CG2-CE2 4.44Å; V199-F212 HydrophobicContact CG2-CZ 3.59Å; F200-F212 HydrophobicContact CE2-CD1 4.03Å; F200-F212 HydrophobicContact CZ-CB 4.01Å; F200-F212 AromaticContact CZ-CD1 3.81Å; F200-F212 HydrophobicContact CZ-CD1 3.81Å; F200-F212 HydrophobicContact CZ-CG 4.27Å; W206-F212 HydrophobicContact CB-CB 4.38Å; W206-F212 AromaticContact CD1-CD2 3.99Å; W206-F212 AromaticContact CD2-CD2 3.98Å; W206-F212 HydrophobicContact CD2-CD2 3.98Å; W206-F212 AromaticContact CE2-CD2 3.73Å; W206-F212 HydrophobicContact CG-CB 4.26Å; W206-F212 HydrophobicContact CG-CD2 4.08Å; W206-F212 HydrophobicContact CG-CG 4.35Å; W206-F212 HydrophobicContact CZ2-CD2 4.27Å; W206-F212 AromaticContact NE1-CD2 3.71Å; W206-F212 AromaticContact NE1-CE2 3.92Å; S208-F212 PolarHBondContact O-N 2.87Å; I209-F212 PolarHBondContact O-N 2.96Å; D210-F212 VanDerWaalsContact C-N 3.31Å; D210-F212 PolarHBondContact O-N 3.28Å; F212-V214 VanDerWaalsContact C-N 3.29Å; F212-V214 PolarHBondContact O-N 3.19Å; F212-I215 PolarHBondContact O-N 3.12Å; F212-I215 VanDerWaalsContact O-N 3.16Å; F212-Y216 HydrophobicContact CE1-CD2 4.47Å; F212-Y216 HydrophobicContact CZ-CD2 4.19Å; F212-Y216 WeakPolarHBondContact O-CB 3.36Å; F212-Y216 PolarHBondContact O-N 2.79Å; F212-F237 AromaticContact CD1-CE2 3.67Å; F212-F237 HydrophobicContact CD1-CE2 3.67Å; F212-F237 HydrophobicContact CD1-CZ 4.33Å; F212-F237 HydrophobicContact CE1-CE2 4.07Å; F212-F237 HydrophobicContact CG-CE2 4.41Å; F212-M240 HydrophobicContact CD1-CE 4.18Å; F212-M240 HydrophobicContact CE1-CE 3.41Å; F212-M240 VanDerWaalsContact CE1-CE 3.41Å; F212-M240 HydrophobicContact CE1-SD 4.08Å; F212-M240 HydrophobicContact CZ-CE 4.24Å; F212-V334 HydrophobicContact CE2-CG1 4.2Å; F212-V334 HydrophobicContact CE2-CG2 4.49Å; F212-V334 HydrophobicContact CZ-CG1 4.18Å; F212-V334 HydrophobicContact CZ-CG2 4.29Å
213E91.4Very high81.3Confident47 Ų4757.2 Ų57.222%0.2232%0.32CS..Hα-helixtrans-57.8-42.6173.7-172.6175.6178.400111.5I209 D210 I215 Y216 N217 F237I209-E213 PolarHBondContact O-N 3.39Å; D210-E213 PolarHBondContact O-N 3.36Å; E213-I215 VanDerWaalsContact C-N 3.29Å; E213-I215 PolarHBondContact O-N 2.97Å; E213-Y216 PolarHBondContact O-N 2.75Å; E213-N217 WeakPolarHBondContact CG-ND2 3.15Å; E213-N217 WeakPolarHBondContact O-CB 3.3Å; E213-N217 PolarHBondContact O-N 2.84Å; E213-N217 PolarHBondContact O-ND2 3.44Å; E213-F237 HydrophobicContact CB-CD1 4.21Å; E213-F237 HydrophobicContact CB-CE1 3.6Å; E213-F237 HydrophobicContact CB-CE2 3.99Å; E213-F237 HydrophobicContact CB-CZ 3.49Å; E213-F237 VanDerWaalsContact CB-CZ 3.49Å; E213-F237 HydrophobicContact CG-CD1 3.88Å; E213-F237 HydrophobicContact CG-CE1 3.78Å; E213-F237 HydrophobicContact CG-CE2 4.48Å; E213-F237 HydrophobicContact CG-CG 4.29Å; E213-F237 HydrophobicContact CG-CZ 4.1Å
214V90.1Very high83.6Confident76 Ų7654.1 Ų54.146%0.46129%0.288SS..Hα-helixtrans-59.5-42.6177.7171.60000111D210 E211 F212 K218D210-V214 WeakPolarHBondContact O-CG2 3.26Å; D210-V214 PolarHBondContact O-N 2.98Å; E211-V214 PolarHBondContact O-N 2.98Å; F212-V214 VanDerWaalsContact C-N 3.29Å; F212-V214 PolarHBondContact O-N 3.19Å; V214-K218 HydrophobicContact CG1-CD 4.18Å; V214-K218 WeakPolarHBondContact O-CB 3.27Å; V214-K218 VanDerWaalsContact O-CG 3.3Å; V214-K218 WeakPolarHBondContact O-CG 3.14Å; V214-K218 PolarHBondContact O-N 2.83Å
215I86.9Confident85.8Confident49 Ų4952 Ų5225%0.25127%0.273SS..Hα-helixtrans-74.2-40.4-178.3-69.3169.5000111.1W206 E211 F212 E213 N217 K218 I219W206-I215 HydrophobicContact CE3-CD1 3.83Å; W206-I215 HydrophobicContact CH2-CD1 3.22Å; W206-I215 HydrophobicContact CH2-CG1 4.41Å; W206-I215 HydrophobicContact CH2-CG2 4.11Å; W206-I215 HydrophobicContact CZ2-CD1 4.25Å; W206-I215 HydrophobicContact CZ2-CG2 4.36Å; W206-I215 HydrophobicContact CZ3-CD1 2.97Å; W206-I215 HydrophobicContact CZ3-CG1 4.39Å; E211-I215 PolarHBondContact O-N 3.12Å; F212-I215 PolarHBondContact O-N 3.12Å; F212-I215 VanDerWaalsContact O-N 3.16Å; E213-I215 VanDerWaalsContact C-N 3.29Å; E213-I215 PolarHBondContact O-N 2.97Å; I215-N217 VanDerWaalsContact C-N 3.33Å; I215-N217 PolarHBondContact O-N 2.71Å; I215-K218 PolarHBondContact O-N 2.7Å; I215-I219 HydrophobicContact CG2-CD1 3.98Å; I215-I219 HydrophobicContact CG2-CG1 4.45Å; I215-I219 WeakPolarHBondContact O-CG1 3.03Å; I215-I219 PolarHBondContact O-N 3.27Å
216Y91.9Very high87.8Confident0 Ų046.7 Ų46.70%025%0.252CS..Hα-helixtrans-55-48.4173.2-167.2-89.8000111.4F212 E213 I219 A220 I233 F237 M240 M330 V334F212-Y216 HydrophobicContact CE1-CD2 4.47Å; F212-Y216 HydrophobicContact CZ-CD2 4.19Å; F212-Y216 WeakPolarHBondContact O-CB 3.36Å; F212-Y216 PolarHBondContact O-N 2.79Å; E213-Y216 PolarHBondContact O-N 2.75Å; Y216-I219 PolarHBondContact O-N 3.37Å; Y216-A220 PolarHBondContact O-N 3.25Å; Y216-I233 HydrophobicContact CD1-CG2 3.73Å; Y216-I233 HydrophobicContact CE1-CG2 3.72Å; Y216-F237 HydrophobicContact CD1-CB 3.93Å; Y216-F237 AromaticContact CD1-CD2 3.9Å; Y216-F237 HydrophobicContact CD1-CD2 3.9Å; Y216-F237 HydrophobicContact CD1-CG 4.34Å; Y216-F237 AromaticContact CD2-CD2 3.95Å; Y216-F237 HydrophobicContact CD2-CD2 3.95Å; Y216-F237 HydrophobicContact CE1-CB 3.78Å; Y216-F237 HydrophobicContact CE1-CD2 4.32Å; Y216-F237 HydrophobicContact CE2-CD2 4.36Å; Y216-F237 AromaticContact CG-CD2 3.68Å; Y216-F237 HydrophobicContact CG-CD2 3.68Å; Y216-F237 HydrophobicContact CG-CE2 4.42Å; Y216-M240 HydrophobicContact CD2-CE 3.92Å; Y216-M240 HydrophobicContact CE2-CE 3.71Å; Y216-M240 HydrophobicContact CE2-SD 4.1Å; Y216-M330 HydrophobicContact CD1-CE 3.7Å; Y216-M330 HydrophobicContact CD2-CE 3.87Å; Y216-M330 HydrophobicContact CE1-CB 4.16Å; Y216-M330 HydrophobicContact CE1-CE 3.71Å; Y216-M330 HydrophobicContact CE1-CG 3.9Å; Y216-M330 HydrophobicContact CE2-CB 3.56Å; Y216-M330 HydrophobicContact CE2-CE 3.9Å; Y216-M330 HydrophobicContact CE2-CG 4.21Å; Y216-M330 HydrophobicContact CG-CE 3.78Å; Y216-M330 WeakPolarHBondContact O-CE 3.49Å; Y216-M330 WeakPolarHBondContact OH-CB 3.16Å; Y216-M330 WeakPolarHBondContact OH-CG 3.36Å; Y216-V334 HydrophobicContact CD2-CG2 4.18Å
217N94.3Very high89.6Confident13 Ų1352 Ų527%0.0727%0.273CS..Hα-helixtrans-63.8-45175.3-80.2-78.5000112.4E213 I215 I219 A220 F221E213-N217 WeakPolarHBondContact CG-ND2 3.15Å; E213-N217 WeakPolarHBondContact O-CB 3.3Å; E213-N217 PolarHBondContact O-N 2.84Å; E213-N217 PolarHBondContact O-ND2 3.44Å; I215-N217 VanDerWaalsContact C-N 3.33Å; I215-N217 PolarHBondContact O-N 2.71Å; N217-I219 VanDerWaalsContact C-N 3.3Å; N217-I219 PolarHBondContact O-N 3.17Å; N217-A220 PolarHBondContact O-N 3.27Å; N217-F221 HydrophobicContact CB-CD2 4.41Å; N217-F221 HydrophobicContact CB-CE2 3.95Å; N217-F221 WeakPolarHBondContact O-CD2 3.41Å; N217-F221 WeakPolarHBondContact O-CG 3.46Å; N217-F221 PolarHBondContact O-N 3.41Å
218K92.3Very high91.2Very high127 Ų12750.7 Ų50.755%0.55227%0.27SS*.Hα-helixtrans-58.6-40.7177.8-79.5176.3179179.10112.1V214 I215 A222V214-K218 HydrophobicContact CG1-CD 4.18Å; V214-K218 WeakPolarHBondContact O-CB 3.27Å; V214-K218 VanDerWaalsContact O-CG 3.3Å; V214-K218 WeakPolarHBondContact O-CG 3.14Å; V214-K218 PolarHBondContact O-N 2.83Å; I215-K218 PolarHBondContact O-N 2.7Å; K218-A222 WeakPolarHBondContact O-CB 3.28Å; K218-A222 PolarHBondContact O-N 2.87Å
219I93.5Very high92.2Very high15 Ų1552.5 Ų52.58%0.07727%0.272CS..Hα-helixtrans-61.3-51.6175.8-69.9168.6000109.9I215 Y216 N217 F221 A222 M223 M330 L333 V334 V337I215-I219 HydrophobicContact CG2-CD1 3.98Å; I215-I219 HydrophobicContact CG2-CG1 4.45Å; I215-I219 WeakPolarHBondContact O-CG1 3.03Å; I215-I219 PolarHBondContact O-N 3.27Å; Y216-I219 PolarHBondContact O-N 3.37Å; N217-I219 VanDerWaalsContact C-N 3.3Å; N217-I219 PolarHBondContact O-N 3.17Å; I219-F221 PolarHBondContact O-N 2.94Å; I219-A222 PolarHBondContact O-N 3.48Å; I219-M223 HydrophobicContact CG2-CG 4.5Å; I219-M223 VanDerWaalsContact O-CG 3.31Å; I219-M223 WeakPolarHBondContact O-CG 3.36Å; I219-M223 PolarHBondContact O-N 2.8Å; I219-M330 HydrophobicContact CB-CE 4.28Å; I219-M330 HydrophobicContact CG2-CE 4.14Å; I219-L333 HydrophobicContact CG2-CB 3.87Å; I219-L333 HydrophobicContact CG2-CD1 4.28Å; I219-V334 HydrophobicContact CD1-CG2 3.92Å; I219-V337 HydrophobicContact CD1-CB 4.23Å; I219-V337 HydrophobicContact CD1-CG1 4.18Å; I219-V337 HydrophobicContact CD1-CG2 4.28Å; I219-V337 HydrophobicContact CG1-CG1 4.47Å; I219-V337 HydrophobicContact CG1-CG2 4.32Å
220A96.4Very high92.8Very high0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-56.8-47-179.500000112.4Y216 N217 M223 G224 V225 I233 M330Y216-A220 PolarHBondContact O-N 3.25Å; N217-A220 PolarHBondContact O-N 3.27Å; A220-M223 PolarHBondContact O-N 3.47Å; A220-G224 PolarHBondContact O-N 3.16Å; A220-V225 HydrophobicContact CB-CB 4.33Å; A220-V225 HydrophobicContact CB-CG2 4.16Å; A220-V225 WeakPolarHBondContact O-CB 3.48Å; A220-V225 WeakPolarHBondContact O-CG2 3.42Å; A220-V225 PolarHBondContact O-N 2.98Å; A220-V225 VanDerWaalsContact O-N 3.12Å; A220-I233 HydrophobicContact CB-CD1 3.76Å; A220-I233 HydrophobicContact CB-CG1 3.89Å; A220-I233 HydrophobicContact CB-CG2 3.97Å; A220-M330 HydrophobicContact CB-CE 4.03Å; A220-M330 HydrophobicContact CB-SD 3.91Å
221F95.7Very high93.3Very high37 Ų3751 Ų5116%0.16227%0.268CS..Hα-helixtrans-67.5-40.6179.1-60.3-40.9000112.6N217 I219 M223 G224 V225 Y227 Q230N217-F221 HydrophobicContact CB-CD2 4.41Å; N217-F221 HydrophobicContact CB-CE2 3.95Å; N217-F221 WeakPolarHBondContact O-CD2 3.41Å; N217-F221 WeakPolarHBondContact O-CG 3.46Å; N217-F221 PolarHBondContact O-N 3.41Å; I219-F221 PolarHBondContact O-N 2.94Å; F221-M223 PolarHBondContact O-N 3Å; F221-G224 PolarHBondContact O-N 2.87Å; F221-V225 WeakPolarHBondContact CD1-O 3.48Å; F221-Y227 HydrophobicContact CD1-CD1 4.11Å; F221-Y227 HydrophobicContact CD1-CE1 4.24Å; F221-Y227 HydrophobicContact CD2-CD1 4.17Å; F221-Y227 AromaticContact CD2-CE1 3.67Å; F221-Y227 HydrophobicContact CD2-CE1 3.67Å; F221-Y227 AromaticContact CE1-CD1 3.86Å; F221-Y227 HydrophobicContact CE1-CD1 3.86Å; F221-Y227 HydrophobicContact CE1-CE1 4.32Å; F221-Y227 HydrophobicContact CE1-CG 4.49Å; F221-Y227 AromaticContact CE2-CD1 3.91Å; F221-Y227 HydrophobicContact CE2-CD1 3.91Å; F221-Y227 AromaticContact CE2-CE1 3.76Å; F221-Y227 HydrophobicContact CE2-CE1 3.76Å; F221-Y227 HydrophobicContact CG-CD1 4.27Å; F221-Y227 AromaticContact CG-CE1 3.93Å; F221-Y227 HydrophobicContact CG-CE1 3.93Å; F221-Y227 AromaticContact CZ-CD1 3.75Å; F221-Y227 HydrophobicContact CZ-CD1 3.75Å; F221-Y227 HydrophobicContact CZ-CE1 4.09Å; F221-Q230 HydrophobicContact CE1-CB 4.32Å; F221-Q230 HydrophobicContact CZ-CB 3.93Å; F221-Q230 HydrophobicContact CZ-CG 3.85Å
222A92.6Very high93.9Very high27 Ų2749 Ų4922%0.22326%0.259CS..Hα-helixtrans-59.8-34.7174.500000111.8L130 K218 I219 G224L130-A222 HydrophobicContact CD1-CB 3.99Å; K218-A222 WeakPolarHBondContact O-CB 3.28Å; K218-A222 PolarHBondContact O-N 2.87Å; I219-A222 PolarHBondContact O-N 3.48Å; A222-G224 PolarHBondContact O-N 3.28Å
223M94.3Very high94.5Very high4 Ų449 Ų492%0.0226%0.258CS..Hα-helixtrans-75.3-11.1176.4-64.9-52101.900113.4T133 Y137 Q138 I151 I219 A220 F221 L333T133-M223 HydrophobicContact CG2-CE 3.92Å; Y137-M223 HydrophobicContact CD2-CE 4.28Å; Y137-M223 HydrophobicContact CD2-SD 3.73Å; Y137-M223 HydrophobicContact CG-SD 4.22Å; Q138-M223 PolarHBondContact NE2-O 3.44Å; I151-M223 HydrophobicContact CD1-CB 4.24Å; I151-M223 WeakPolarHBondContact CD1-O 3.01Å; I219-M223 HydrophobicContact CG2-CG 4.5Å; I219-M223 VanDerWaalsContact O-CG 3.31Å; I219-M223 WeakPolarHBondContact O-CG 3.36Å; I219-M223 PolarHBondContact O-N 2.8Å; A220-M223 PolarHBondContact O-N 3.47Å; F221-M223 PolarHBondContact O-N 3Å; M223-L333 HydrophobicContact CG-CD1 3.9Å; M223-L333 HydrophobicContact CG-CD2 3.9Å; M223-L333 HydrophobicContact SD-CD2 4.09Å
224G94.9Very high94.7Very high18 Ų1851.5 Ų51.519%0.18627%0.268CS..THydrogen-bonded Turntrans105.413.8174.700000115.3A220 F221 A222A220-G224 PolarHBondContact O-N 3.16Å; F221-G224 PolarHBondContact O-N 2.87Å; A222-G224 PolarHBondContact O-N 3.28Å
225V97.1Very high95Very high5 Ų551.7 Ų51.73%0.0327%0.267CS..  trans-63.4127165.3178.50000107.8W148 L150 I151 A220 F221 K229 I233W148-V225 HydrophobicContact CE3-CG2 4.5Å; W148-V225 HydrophobicContact CH2-CG2 3.65Å; W148-V225 HydrophobicContact CZ2-CG2 4.07Å; W148-V225 HydrophobicContact CZ3-CG2 3.9Å; L150-V225 HydrophobicContact CB-CG1 4.26Å; L150-V225 HydrophobicContact CB-CG2 4.2Å; I151-V225 HydrophobicContact CD1-CG2 4.13Å; I151-V225 HydrophobicContact CG1-CG2 3.72Å; A220-V225 HydrophobicContact CB-CB 4.33Å; A220-V225 HydrophobicContact CB-CG2 4.16Å; A220-V225 WeakPolarHBondContact O-CB 3.48Å; A220-V225 WeakPolarHBondContact O-CG2 3.42Å; A220-V225 PolarHBondContact O-N 2.98Å; A220-V225 VanDerWaalsContact O-N 3.12Å; F221-V225 WeakPolarHBondContact CD1-O 3.48Å; V225-K229 HydrophobicContact CG1-CB 3.83Å; V225-I233 HydrophobicContact CG1-CD1 4.2Å; V225-I233 HydrophobicContact CG1-CG1 3.96Å; V225-I233 HydrophobicContact CG2-CD1 4.28Å
226P96.8Very high95.5Very high46 Ų4649.4 Ų49.430%0.29926%0.255SS..  trans-72.2149.5178.929.6-32.8000110.6L150 S228 K229L150-P226 WeakPolarHBondContact O-CD 3.46Å; P226-S228 PolarHBondContact O-N 2.94Å; P226-S228 VanDerWaalsContact O-N 3.09Å; P226-K229 HydrophobicContact CG-CB 4.19Å; P226-K229 HydrophobicContact CG-CG 3.71Å; P226-K229 WeakPolarHBondContact O-CB 3.34Å; P226-K229 PolarHBondContact O-N 3.43Å
227Y95.9Very high95.6Very high173 Ų17349.5 Ų49.568%0.67826%0.256SS*.G310 helixtrans-56.5-28178.4-72.7-74.7000113.7F221 K229 Q230F221-Y227 HydrophobicContact CD1-CD1 4.11Å; F221-Y227 HydrophobicContact CD1-CE1 4.24Å; F221-Y227 HydrophobicContact CD2-CD1 4.17Å; F221-Y227 AromaticContact CD2-CE1 3.67Å; F221-Y227 HydrophobicContact CD2-CE1 3.67Å; F221-Y227 AromaticContact CE1-CD1 3.86Å; F221-Y227 HydrophobicContact CE1-CD1 3.86Å; F221-Y227 HydrophobicContact CE1-CE1 4.32Å; F221-Y227 HydrophobicContact CE1-CG 4.49Å; F221-Y227 AromaticContact CE2-CD1 3.91Å; F221-Y227 HydrophobicContact CE2-CD1 3.91Å; F221-Y227 AromaticContact CE2-CE1 3.76Å; F221-Y227 HydrophobicContact CE2-CE1 3.76Å; F221-Y227 HydrophobicContact CG-CD1 4.27Å; F221-Y227 AromaticContact CG-CE1 3.93Å; F221-Y227 HydrophobicContact CG-CE1 3.93Å; F221-Y227 AromaticContact CZ-CD1 3.75Å; F221-Y227 HydrophobicContact CZ-CD1 3.75Å; F221-Y227 HydrophobicContact CZ-CE1 4.09Å; Y227-K229 PolarHBondContact O-N 3.45Å; Y227-K229 VanDerWaalsContact O-N 3.11Å; Y227-Q230 WeakPolarHBondContact O-CB 3.5Å; Y227-Q230 PolarHBondContact O-N 2.83Å
228S96.8Very high95.5Very high99 Ų9953 Ų5369%0.69227%0.274SS*.G310 helixtrans-64.6-10.4174.656.30000114.2P226P226-S228 PolarHBondContact O-N 2.94Å; P226-S228 VanDerWaalsContact O-N 3.09Å
229K96.4Very high95.5Very high77 Ų7747.9 Ų47.934%0.33525%0.252SS..G310 helixtrans-108.616.3178.3-64.5-63.4-174.1-172.30113.5L150 V225 P226 Y227 S231 E232 I233L150-K229 HydrophobicContact CD2-CB 4.41Å; L150-K229 HydrophobicContact CD2-CD 4.2Å; L150-K229 HydrophobicContact CD2-CG 4.43Å; V225-K229 HydrophobicContact CG1-CB 3.83Å; P226-K229 HydrophobicContact CG-CB 4.19Å; P226-K229 HydrophobicContact CG-CG 3.71Å; P226-K229 WeakPolarHBondContact O-CB 3.34Å; P226-K229 PolarHBondContact O-N 3.43Å; Y227-K229 PolarHBondContact O-N 3.45Å; Y227-K229 VanDerWaalsContact O-N 3.11Å; K229-S231 VanDerWaalsContact C-N 3.27Å; K229-S231 PolarHBondContact O-N 3Å; K229-E232 VanDerWaalsContact CA-OE2 3.31Å; K229-E232 WeakPolarHBondContact CA-OE2 3.25Å; K229-E232 WeakPolarHBondContact CD-OE1 3.44Å; K229-E232 WeakPolarHBondContact CE-OE1 3.48Å; K229-E232 IonicContact NZ-OE1 2.75Å; K229-E232 PolarHBondContact NZ-OE1 3.15Å; K229-E232 PolarHBondContact O-N 3.41Å; K229-I233 PolarHBondContact O-N 2.89Å
230Q95.8Very high95.4Very high96 Ų9647.3 Ų47.345%0.44925%0.249SC..Hα-helixtrans-61.3-34179.5-177.7172.318.600112.8F221 Y227 E232 I233 K234F221-Q230 HydrophobicContact CE1-CB 4.32Å; F221-Q230 HydrophobicContact CZ-CB 3.93Å; F221-Q230 HydrophobicContact CZ-CG 3.85Å; Y227-Q230 WeakPolarHBondContact O-CB 3.5Å; Y227-Q230 PolarHBondContact O-N 2.83Å; Q230-E232 VanDerWaalsContact C-N 3.33Å; Q230-E232 PolarHBondContact O-N 3.4Å; Q230-I233 PolarHBondContact O-N 3.25Å; Q230-K234 WeakPolarHBondContact O-CB 3.42Å; Q230-K234 PolarHBondContact O-N 3.05Å
231S96.8Very high95Very high69 Ų6948.4 Ų48.448%0.48326%0.255SS..Hα-helixtrans-57.2-45.617632.40000112.1K229 I233 K234 D235K229-S231 VanDerWaalsContact C-N 3.27Å; K229-S231 PolarHBondContact O-N 3Å; S231-I233 VanDerWaalsContact C-N 3.32Å; S231-I233 PolarHBondContact O-N 2.04Å; S231-K234 WeakPolarHBondContact O-CB 3.07Å; S231-K234 PolarHBondContact O-N 3.39Å; S231-K234 VanDerWaalsContact O-N 3.12Å; S231-D235 VanDerWaalsContact O-CG 3.28Å; S231-D235 PolarHBondContact O-N 3.27Å
232E96.7Very high94.6Very high51 Ų5150.6 Ų50.624%0.23827%0.268CS..Hα-helixtrans-66.8-34.7-178.6-66.491.414200112L150 K229 Q230 A236L150-E232 HydrophobicContact CD1-CB 3.97Å; L150-E232 HydrophobicContact CD2-CB 3.95Å; L150-E232 HydrophobicContact CD2-CG 4.1Å; K229-E232 VanDerWaalsContact CA-OE2 3.31Å; K229-E232 WeakPolarHBondContact CA-OE2 3.25Å; K229-E232 WeakPolarHBondContact CD-OE1 3.44Å; K229-E232 WeakPolarHBondContact CE-OE1 3.48Å; K229-E232 IonicContact NZ-OE1 2.75Å; K229-E232 PolarHBondContact NZ-OE1 3.15Å; K229-E232 PolarHBondContact O-N 3.41Å; Q230-E232 VanDerWaalsContact C-N 3.33Å; Q230-E232 PolarHBondContact O-N 3.4Å; E232-A236 PolarHBondContact O-N 3.02Å; E232-A236 VanDerWaalsContact O-N 3.16Å
233I97.6Very high94.2Very high0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-68.1-40.3172.6-61.4-57.4000110.9W148 L150 Y216 A220 V225 K229 Q230 S231 A236 F237 T326W148-I233 HydrophobicContact CH2-CD1 4.23Å; W148-I233 HydrophobicContact CZ2-CD1 3.85Å; L150-I233 HydrophobicContact CD1-CD1 3.67Å; L150-I233 HydrophobicContact CD1-CG1 4.42Å; Y216-I233 HydrophobicContact CD1-CG2 3.73Å; Y216-I233 HydrophobicContact CE1-CG2 3.72Å; A220-I233 HydrophobicContact CB-CD1 3.76Å; A220-I233 HydrophobicContact CB-CG1 3.89Å; A220-I233 HydrophobicContact CB-CG2 3.97Å; V225-I233 HydrophobicContact CG1-CD1 4.2Å; V225-I233 HydrophobicContact CG1-CG1 3.96Å; V225-I233 HydrophobicContact CG2-CD1 4.28Å; K229-I233 PolarHBondContact O-N 2.89Å; Q230-I233 PolarHBondContact O-N 3.25Å; S231-I233 VanDerWaalsContact C-N 3.32Å; S231-I233 PolarHBondContact O-N 2.04Å; I233-A236 PolarHBondContact O-N 2.96Å; I233-F237 WeakPolarHBondContact O-CB 3.47Å; I233-F237 PolarHBondContact O-N 3.03Å; I233-T326 HydrophobicContact CD1-CG2 4.06Å
234K96.5Very high93.4Very high99 Ų9950.6 Ų50.643%0.4327%0.266SS..Hα-helixtrans-64.3-42.4176.3-174.3174.7-175.1173.30111.9Q230 S231 A236 F237 L238Q230-K234 WeakPolarHBondContact O-CB 3.42Å; Q230-K234 PolarHBondContact O-N 3.05Å; S231-K234 WeakPolarHBondContact O-CB 3.07Å; S231-K234 PolarHBondContact O-N 3.39Å; S231-K234 VanDerWaalsContact O-N 3.12Å; K234-A236 VanDerWaalsContact C-N 3.33Å; K234-A236 PolarHBondContact O-N 3.35Å; K234-F237 WeakPolarHBondContact O-CB 3.48Å; K234-F237 PolarHBondContact O-N 2.87Å; K234-L238 HydrophobicContact CG-CD1 4.25Å; K234-L238 HydrophobicContact CG-CG 4.45Å; K234-L238 WeakPolarHBondContact O-CG 3.25Å; K234-L238 PolarHBondContact O-N 3.37Å
235D96.5Very high92.3Very high81 Ų8154.2 Ų54.243%0.43328%0.281SS..Hα-helixtrans-63.2-41.5178-66.9-22.4000111.2S231 L238 M239 T323S231-D235 VanDerWaalsContact O-CG 3.28Å; S231-D235 PolarHBondContact O-N 3.27Å; D235-L238 PolarHBondContact O-N 3.43Å; D235-M239 WeakPolarHBondContact O-CB 3.23Å; D235-M239 PolarHBondContact O-N 3.39Å; D235-T323 HydrophobicContact CB-CG2 3.97Å
236A95.8Very high90.9Very high0 Ų063.4 Ų63.40%032%0.321CS..Hα-helixtrans-63.6-40173.600000112.6E232 I233 K234 M239 M240 T323 T326 M327E232-A236 PolarHBondContact O-N 3.02Å; E232-A236 VanDerWaalsContact O-N 3.16Å; I233-A236 PolarHBondContact O-N 2.96Å; K234-A236 VanDerWaalsContact C-N 3.33Å; K234-A236 PolarHBondContact O-N 3.35Å; A236-M239 PolarHBondContact O-N 3.45Å; A236-M240 PolarHBondContact O-N 3.16Å; A236-T323 HydrophobicContact CB-CG2 4.34Å; A236-T326 HydrophobicContact CB-CG2 3.58Å; A236-M327 HydrophobicContact CB-CB 4.16Å
237F94.5Very high89.9Confident2 Ų262 Ų621%0.00931%0.311CS..Hα-helixtrans-62.4-48.1174.3-179.9-99.3000111.7I209 F212 E213 Y216 I233 K234 M239 M240 I241I209-F237 HydrophobicContact CG2-CE1 4.01Å; I209-F237 HydrophobicContact CG2-CZ 3.86Å; F212-F237 AromaticContact CD1-CE2 3.67Å; F212-F237 HydrophobicContact CD1-CE2 3.67Å; F212-F237 HydrophobicContact CD1-CZ 4.33Å; F212-F237 HydrophobicContact CE1-CE2 4.07Å; F212-F237 HydrophobicContact CG-CE2 4.41Å; E213-F237 HydrophobicContact CB-CD1 4.21Å; E213-F237 HydrophobicContact CB-CE1 3.6Å; E213-F237 HydrophobicContact CB-CE2 3.99Å; E213-F237 HydrophobicContact CB-CZ 3.49Å; E213-F237 VanDerWaalsContact CB-CZ 3.49Å; E213-F237 HydrophobicContact CG-CD1 3.88Å; E213-F237 HydrophobicContact CG-CE1 3.78Å; E213-F237 HydrophobicContact CG-CE2 4.48Å; E213-F237 HydrophobicContact CG-CG 4.29Å; E213-F237 HydrophobicContact CG-CZ 4.1Å; Y216-F237 HydrophobicContact CD1-CB 3.93Å; Y216-F237 AromaticContact CD1-CD2 3.9Å; Y216-F237 HydrophobicContact CD1-CD2 3.9Å; Y216-F237 HydrophobicContact CD1-CG 4.34Å; Y216-F237 AromaticContact CD2-CD2 3.95Å; Y216-F237 HydrophobicContact CD2-CD2 3.95Å; Y216-F237 HydrophobicContact CE1-CB 3.78Å; Y216-F237 HydrophobicContact CE1-CD2 4.32Å; Y216-F237 HydrophobicContact CE2-CD2 4.36Å; Y216-F237 AromaticContact CG-CD2 3.68Å; Y216-F237 HydrophobicContact CG-CD2 3.68Å; Y216-F237 HydrophobicContact CG-CE2 4.42Å; I233-F237 WeakPolarHBondContact O-CB 3.47Å; I233-F237 PolarHBondContact O-N 3.03Å; K234-F237 WeakPolarHBondContact O-CB 3.48Å; K234-F237 PolarHBondContact O-N 2.87Å; F237-M239 VanDerWaalsContact C-N 3.32Å; F237-M239 PolarHBondContact O-N 2.95Å; F237-M240 HydrophobicContact CD2-CE 3.35Å; F237-M240 HydrophobicContact CE2-CE 3.6Å; F237-M240 HydrophobicContact CG-CE 4.25Å; F237-M240 WeakPolarHBondContact O-CB 3.16Å; F237-M240 PolarHBondContact O-N 3.3Å; F237-I241 HydrophobicContact CD1-CG1 4.22Å; F237-I241 HydrophobicContact CE1-CD1 4.28Å; F237-I241 HydrophobicContact CE1-CG1 3.83Å; F237-I241 HydrophobicContact CE2-CD1 4.39Å; F237-I241 HydrophobicContact CZ-CD1 3.95Å; F237-I241 HydrophobicContact CZ-CG1 4.01Å; F237-I241 WeakPolarHBondContact O-CG1 3.19Å; F237-I241 PolarHBondContact O-N 3.48Å
238L93.3Very high88.8Confident88 Ų8858.6 Ų58.646%0.46131%0.31SS..Hα-helixtrans-63.3-37.6178.7-68.9175000112.1K234 D235 I241 D242K234-L238 HydrophobicContact CG-CD1 4.25Å; K234-L238 HydrophobicContact CG-CG 4.45Å; K234-L238 WeakPolarHBondContact O-CG 3.25Å; K234-L238 PolarHBondContact O-N 3.37Å; D235-L238 PolarHBondContact O-N 3.43Å; L238-I241 PolarHBondContact O-N 2.94Å; L238-D242 PolarHBondContact O-N 3.37Å
239M92.6Very high87.8Confident18 Ų1859.1 Ų59.19%0.08930%0.304CS..Hα-helixtrans-61.5-44.4173.2-177.6179.4-7100111.7D235 A236 F237 I241 D242 L243 I315 D320 T323 L324 M327D235-M239 WeakPolarHBondContact O-CB 3.23Å; D235-M239 PolarHBondContact O-N 3.39Å; A236-M239 PolarHBondContact O-N 3.45Å; F237-M239 VanDerWaalsContact C-N 3.32Å; F237-M239 PolarHBondContact O-N 2.95Å; M239-I241 VanDerWaalsContact C-N 3.35Å; M239-I241 PolarHBondContact O-N 3.47Å; M239-D242 PolarHBondContact O-N 2.88Å; M239-L243 HydrophobicContact CG-CD1 4.14Å; M239-L243 WeakPolarHBondContact O-CG 3.33Å; M239-L243 PolarHBondContact O-N 3.49Å; M239-I315 HydrophobicContact CE-CG2 3.95Å; M239-I315 HydrophobicContact CG-CD1 4.21Å; M239-I315 HydrophobicContact SD-CD1 4.07Å; M239-I315 HydrophobicContact SD-CG2 4.2Å; M239-D320 HydrophobicContact CE-CB 4.4Å; M239-D320 WeakPolarHBondContact CE-OD2 3.42Å; M239-T323 HydrophobicContact CB-CG2 4.45Å; M239-T323 HydrophobicContact CE-CG2 3.57Å; M239-T323 HydrophobicContact SD-CG2 4.23Å; M239-L324 HydrophobicContact SD-CB 4.05Å; M239-L324 HydrophobicContact SD-CD1 3.98Å; M239-M327 HydrophobicContact CB-SD 4.24Å; M239-M327 HydrophobicContact CG-SD 3.82Å; M239-M327 HydrophobicContact SD-SD 4.16Å
240M90.9Very high86.8Confident3 Ų358.6 Ų58.62%0.01531%0.308CS..Hα-helixtrans-58.4-47.7174.7175.3-177.559.400110.8H178 F212 Y216 A236 F237 D242 L243 S244 M327H178-M240 VanDerWaalsContact CE1-SD 3.55Å; F212-M240 HydrophobicContact CD1-CE 4.18Å; F212-M240 HydrophobicContact CE1-CE 3.41Å; F212-M240 VanDerWaalsContact CE1-CE 3.41Å; F212-M240 HydrophobicContact CE1-SD 4.08Å; F212-M240 HydrophobicContact CZ-CE 4.24Å; Y216-M240 HydrophobicContact CD2-CE 3.92Å; Y216-M240 HydrophobicContact CE2-CE 3.71Å; Y216-M240 HydrophobicContact CE2-SD 4.1Å; A236-M240 PolarHBondContact O-N 3.16Å; F237-M240 HydrophobicContact CD2-CE 3.35Å; F237-M240 HydrophobicContact CE2-CE 3.6Å; F237-M240 HydrophobicContact CG-CE 4.25Å; F237-M240 WeakPolarHBondContact O-CB 3.16Å; F237-M240 PolarHBondContact O-N 3.3Å; M240-D242 VanDerWaalsContact C-N 3.35Å; M240-D242 PolarHBondContact O-N 3.36Å; M240-L243 CarbonylContact O-C 3.59Å; M240-L243 PolarHBondContact O-N 2.86Å; M240-S244 WeakPolarHBondContact O-CB 3.48Å; M240-S244 PolarHBondContact O-N 2.82Å; M240-S244 PolarHBondContact O-OG 3.25Å; M240-M327 VanDerWaalsContact CA-SD 3.57Å; M240-M327 HydrophobicContact CB-CG 3.83Å; M240-M327 HydrophobicContact CB-SD 3.9Å
241I87.8Confident86Confident24 Ų2464.2 Ų64.212%0.12333%0.331CS..Hα-helixtrans-59.8-43177.9-62-57.9000111.6F200 I209 F237 L238 M239 L243 S244 N245F200-I241 HydrophobicContact CD2-CD1 4.05Å; F200-I241 HydrophobicContact CE2-CD1 3.37Å; F200-I241 HydrophobicContact CZ-CD1 4.24Å; I209-I241 HydrophobicContact CG2-CD1 3.95Å; I209-I241 HydrophobicContact CG2-CG1 4.32Å; F237-I241 HydrophobicContact CD1-CG1 4.22Å; F237-I241 HydrophobicContact CE1-CD1 4.28Å; F237-I241 HydrophobicContact CE1-CG1 3.83Å; F237-I241 HydrophobicContact CE2-CD1 4.39Å; F237-I241 HydrophobicContact CZ-CD1 3.95Å; F237-I241 HydrophobicContact CZ-CG1 4.01Å; F237-I241 WeakPolarHBondContact O-CG1 3.19Å; F237-I241 PolarHBondContact O-N 3.48Å; L238-I241 PolarHBondContact O-N 2.94Å; M239-I241 VanDerWaalsContact C-N 3.35Å; M239-I241 PolarHBondContact O-N 3.47Å; I241-L243 VanDerWaalsContact C-N 3.33Å; I241-L243 PolarHBondContact O-N 3.18Å; I241-S244 WeakPolarHBondContact O-CA 3.2Å; I241-S244 VanDerWaalsContact O-CB 3.23Å; I241-S244 WeakPolarHBondContact O-CB 3.39Å; I241-S244 PolarHBondContact O-N 3.13Å; I241-N245 PolarHBondContact O-N 3.29Å
242D86.5Confident85.1Confident82 Ų8264.9 Ų64.944%0.43935%0.349SS..Hα-helixtrans-59.8-43.6177.2-175.254.3000112L238 M239 M240 S244 N245L238-D242 PolarHBondContact O-N 3.37Å; M239-D242 PolarHBondContact O-N 2.88Å; M240-D242 VanDerWaalsContact C-N 3.35Å; M240-D242 PolarHBondContact O-N 3.36Å; D242-S244 PolarHBondContact O-N 3.35Å; D242-N245 WeakPolarHBondContact O-CB 3.28Å; D242-N245 PolarHBondContact O-N 3.26Å; D242-N245 PolarHBondContact O-ND2 3.35Å
243L85.7Confident84.1Confident10 Ų1064.7 Ų64.75%0.05235%0.349CS..Hα-helixtrans-69.9-20.7175.4-67.3169.6000113.1I198 M239 M240 I241 K311 Y312 I315 M327I198-L243 WeakPolarHBondContact CD1-O 3.49Å; M239-L243 HydrophobicContact CG-CD1 4.14Å; M239-L243 WeakPolarHBondContact O-CG 3.33Å; M239-L243 PolarHBondContact O-N 3.49Å; M240-L243 CarbonylContact O-C 3.59Å; M240-L243 PolarHBondContact O-N 2.86Å; I241-L243 VanDerWaalsContact C-N 3.33Å; I241-L243 PolarHBondContact O-N 3.18Å; L243-K311 HydrophobicContact CD2-CB 3.62Å; L243-K311 HydrophobicContact CD2-CG 4.46Å; L243-Y312 HydrophobicContact CD1-CE1 4.1Å; L243-Y312 HydrophobicContact CD1-CE2 3.98Å; L243-Y312 HydrophobicContact CD2-CD2 4.26Å; L243-Y312 HydrophobicContact CD2-CE2 4.1Å; L243-I315 HydrophobicContact CD1-CD1 4.08Å; L243-I315 HydrophobicContact CD2-CD1 4.09Å; L243-I315 HydrophobicContact CG-CD1 4.39Å; L243-M327 HydrophobicContact CD1-CE 3.74Å; L243-M327 HydrophobicContact CD1-SD 3.69Å
244S76.2Confident83.1Confident22 Ų2271 Ų7115%0.15438%0.378CS..Hα-helixtrans-79.3-21.2176.8-49.40000114I198 M240 I241 D242 K246I198-S244 WeakPolarHBondContact CG2-OG 3.12Å; M240-S244 WeakPolarHBondContact O-CB 3.48Å; M240-S244 PolarHBondContact O-N 2.82Å; M240-S244 PolarHBondContact O-OG 3.25Å; I241-S244 WeakPolarHBondContact O-CA 3.2Å; I241-S244 VanDerWaalsContact O-CB 3.23Å; I241-S244 WeakPolarHBondContact O-CB 3.39Å; I241-S244 PolarHBondContact O-N 3.13Å; D242-S244 PolarHBondContact O-N 3.35Å; S244-K246 PolarHBondContact O-N 2.96Å
245N71.5Confident81.9Confident93 Ų9373 Ų7350%0.49739%0.393SS..SBendtrans-54.6137.8-171.8-80.9-38.5000111.6I241 D242 I247I241-N245 PolarHBondContact O-N 3.29Å; D242-N245 WeakPolarHBondContact O-CB 3.28Å; D242-N245 PolarHBondContact O-N 3.26Å; D242-N245 PolarHBondContact O-ND2 3.35Å; N245-I247 PolarHBondContact O-N 2.65Å
246K69.4Low80.8Confident198 Ų19871.6 Ų71.686%0.86139%0.39SS*.  trans-53.9114.4-179.2-79.3-175.3178.7176.50110.2S244 P248S244-K246 PolarHBondContact O-N 2.96Å; K246-P248 VanDerWaalsContact O-CD 3.25Å; K246-P248 WeakPolarHBondContact O-CD 3.29Å
247I75.3Confident79.9Confident17 Ų1774.3 Ų74.39%0.08740%0.402CS..  trans-73.4113.7177.5-55.9169.8000107.5N245 I249 Y303 Q304 Y307 R308N245-I247 PolarHBondContact O-N 2.65Å; I247-I249 PolarHBondContact O-N 3.43Å; I247-Y303 HydrophobicContact CG2-CD2 4.26Å; I247-Y303 HydrophobicContact CG2-CE2 4.16Å; I247-Q304 HydrophobicContact CD1-CB 4.02Å; I247-Q304 HydrophobicContact CD1-CG 4.19Å; I247-Y307 HydrophobicContact CB-CD1 4.38Å; I247-Y307 HydrophobicContact CD1-CD1 3.62Å; I247-Y307 HydrophobicContact CD1-CE1 4.38Å; I247-Y307 HydrophobicContact CD1-CG 4.29Å; I247-Y307 HydrophobicContact CG1-CD1 3.62Å; I247-Y307 HydrophobicContact CG1-CE1 3.95Å; I247-Y307 HydrophobicContact CG1-CG 4.38Å; I247-Y307 HydrophobicContact CG2-CD1 3.89Å; I247-Y307 HydrophobicContact CG2-CD2 4.27Å; I247-Y307 HydrophobicContact CG2-CE1 4.43Å; I247-Y307 HydrophobicContact CG2-CG 3.79Å; I247-R308 HydrophobicContact CD1-CG 3.69Å
248P71.8Confident79.2Confident101 Ų10177.5 Ų77.566%0.65642%0.419SS*.PPolyproline II helixtrans-60.2134.9-179.5-19.931.8000110K246 P250K246-P248 VanDerWaalsContact O-CD 3.25Å; K246-P248 WeakPolarHBondContact O-CD 3.29Å; P248-P250 VanDerWaalsContact O-CD 3.25Å; P248-P250 WeakPolarHBondContact O-CD 3.27Å
249I75.4Confident78.8Confident110 Ų11077.9 Ų77.956%0.56442%0.421SS*.PPolyproline II helixtrans-64.5120.9171.9-57.6173.5000107.3I247 K251 I253I247-I249 PolarHBondContact O-N 3.43Å; I249-K251 PolarHBondContact O-N 2.99Å; I249-I253 HydrophobicContact CG2-CB 4.47Å; I249-I253 HydrophobicContact CG2-CD1 4.46Å; I249-I253 HydrophobicContact CG2-CG2 3.85Å
250P76.8Confident78.5Confident66 Ų6678 Ų7843%0.42943%0.428SS..PPolyproline II helixtrans-54.7134.5176.5-25.233.8000111.3P248 G252 I253 Y303P248-P250 VanDerWaalsContact O-CD 3.25Å; P248-P250 WeakPolarHBondContact O-CD 3.27Å; P250-G252 PolarHBondContact O-N 3.05Å; P250-I253 HydrophobicContact CB-CB 4.5Å; P250-I253 HydrophobicContact CG-CD1 4.35Å; P250-I253 WeakPolarHBondContact O-CB 3.26Å; P250-I253 PolarHBondContact O-N 3.36Å; P250-Y303 HydrophobicContact CG-CD2 4.34Å
251K77.7Confident78.5Confident215 Ų21583.4 Ų83.494%0.93546%0.455SS*.THydrogen-bonded Turntrans-66.1128.2175.5-71.8-174.9178.9179.90109.6I249I249-K251 PolarHBondContact O-N 2.99Å
252G79.1Confident78.7Confident83 Ų8382.9 Ų82.986%0.85645%0.453SS*.THydrogen-bonded Turntrans77.624.8-177.800000113.9P250 H254P250-G252 PolarHBondContact O-N 3.05Å; G252-H254 PolarHBondContact O-N 3.36Å
253I75.9Confident78.9Confident46 Ų4681 Ų8124%0.23645%0.446CS..  trans-55.3126.5175.6-167.7160.6000110.7I249 P250 E257 L258 Y303I249-I253 HydrophobicContact CG2-CB 4.47Å; I249-I253 HydrophobicContact CG2-CD1 4.46Å; I249-I253 HydrophobicContact CG2-CG2 3.85Å; P250-I253 HydrophobicContact CB-CB 4.5Å; P250-I253 HydrophobicContact CG-CD1 4.35Å; P250-I253 WeakPolarHBondContact O-CB 3.26Å; P250-I253 PolarHBondContact O-N 3.36Å; I253-E257 HydrophobicContact CD1-CB 3.65Å; I253-E257 HydrophobicContact CG1-CB 3.4Å; I253-E257 VanDerWaalsContact CG1-CB 3.4Å; I253-E257 HydrophobicContact CG1-CG 4.17Å; I253-L258 HydrophobicContact CD1-CD2 4.25Å; I253-Y303 HydrophobicContact CD1-CD1 3.5Å; I253-Y303 VanDerWaalsContact CD1-CD1 3.5Å; I253-Y303 HydrophobicContact CD1-CE1 4.11Å; I253-Y303 HydrophobicContact CD1-CG 3.75Å
254H75.8Confident79.3Confident132 Ų13282.1 Ų82.161%0.61145%0.452SS*.  trans-73.1148.3175-170.3-99.6000109.7G252 S256 E257G252-H254 PolarHBondContact O-N 3.36Å; H254-S256 WeakPolarHBondContact ND1-CB 3.42Å; H254-S256 PolarHBondContact ND1-N 3.48Å; H254-S256 PolarHBondContact ND1-OG 3.34Å; H254-S256 PolarHBondContact O-N 2.93Å; H254-S256 VanDerWaalsContact O-N 3.08Å; H254-E257 WeakPolarHBondContact O-CB 3.42Å; H254-E257 PolarHBondContact O-N 2.81Å
255L72.6Confident80.2Confident141 Ų14187.1 Ų87.174%0.73847%0.473SS*.G310 helixtrans-55.7-31.2-178.4-97108.6000113.2E257 L258L255-E257 PolarHBondContact O-N 3.19Å; L255-L258 WeakPolarHBondContact O-CB 3.34Å; L255-L258 PolarHBondContact O-N 3.09Å
256S72.5Confident81.2Confident53 Ų5386.5 Ų86.537%0.37147%0.467SS..G310 helixtrans-65.3-19.117763.40000114.4H254 L258H254-S256 WeakPolarHBondContact ND1-CB 3.42Å; H254-S256 PolarHBondContact ND1-N 3.48Å; H254-S256 PolarHBondContact ND1-OG 3.34Å; H254-S256 PolarHBondContact O-N 2.93Å; H254-S256 VanDerWaalsContact O-N 3.08Å; S256-L258 VanDerWaalsContact C-N 3.31Å
257E76.8Confident82.5Confident57 Ų5777.1 Ų77.127%0.26643%0.426SS..G310 helixtrans-85.1-9.2174.3-69.6-66142.800112.2I253 H254 L255 R302 Y303I253-E257 HydrophobicContact CD1-CB 3.65Å; I253-E257 HydrophobicContact CG1-CB 3.4Å; I253-E257 VanDerWaalsContact CG1-CB 3.4Å; I253-E257 HydrophobicContact CG1-CG 4.17Å; H254-E257 WeakPolarHBondContact O-CB 3.42Å; H254-E257 PolarHBondContact O-N 2.81Å; L255-E257 PolarHBondContact O-N 3.19Å; E257-R302 WeakPolarHBondContact O-CB 3.36Å; E257-R302 PolarHBondContact O-N 3.46Å; E257-R302 IonicContact OE1-NE 3.63Å; E257-Y303 PolarHBondContact O-N 3.28Å
258L79.8Confident83.5Confident68 Ų6879.1 Ų79.136%0.35644%0.435SS..THydrogen-bonded Turntrans-81.6-81.8170.4-60.2173.5000108.2I253 L255 S256 E300 K301 R302 Y303I253-L258 HydrophobicContact CD1-CD2 4.25Å; L255-L258 WeakPolarHBondContact O-CB 3.34Å; L255-L258 PolarHBondContact O-N 3.09Å; S256-L258 VanDerWaalsContact C-N 3.31Å; L258-E300 CarbonylContact O-C 3.41Å; L258-K301 WeakPolarHBondContact O-CA 3.42Å; L258-K301 PolarHBondContact O-N 3.44Å; L258-R302 PolarHBondContact O-N 3.1Å; L258-R302 VanDerWaalsContact O-N 3.15Å; L258-Y303 HydrophobicContact CD2-CE1 4.36Å
259N84.2Confident84.6Confident96 Ų9681.1 Ų81.151%0.51344%0.44SS..EExtended strand (participates in β ladder)trans-128.3141.6-177.7-60.9-12.6000109.8I299 E300 K301N259-I299 VanDerWaalsContact CA-O 3.31Å; N259-I299 WeakPolarHBondContact CA-O 3.38Å; N259-E300 WeakPolarHBondContact OD1-CA 3.38Å; N259-K301 PolarHBondContact OD1-N 3.39Å
260G87.2Confident85.5Confident22 Ų2276.2 Ų76.223%0.22741%0.414CS..EExtended strand (participates in β ladder)trans-166.5157.4179.100000113.7I298 I299G260-I298 WeakPolarHBondContact O-CA 3.27Å; G260-I299 PolarHBondContact N-O 3.44Å; G260-I299 VanDerWaalsContact N-O 3.11Å; G260-I299 PolarHBondContact O-N 2.62Å
261I90.2Very high86.4Confident115 Ų11573.1 Ų73.159%0.5939%0.394SS*.EExtended strand (participates in β ladder)trans-83.9133.2166.7-59.5172.1000107.3I297 I298I261-I297 CarbonylContact C-O 3.57Å; I261-I297 VanDerWaalsContact CA-O 3.26Å; I261-I297 WeakPolarHBondContact CA-O 3.42Å; I261-I298 HydrophobicContact CG1-CG1 4.4Å
262I91.8Very high87.3Confident13 Ų1366.5 Ų66.57%0.06737%0.373CS..EExtended strand (participates in β ladder)trans-134.1160-177.460.4171.8000111E266 L267 I270 I297 I299I262-E266 WeakPolarHBondContact CA-OE2 3.44Å; I262-E266 HydrophobicContact CB-CB 4.21Å; I262-E266 WeakPolarHBondContact CB-OE2 3.21Å; I262-L267 HydrophobicContact CD1-CB 3.7Å; I262-L267 HydrophobicContact CD1-CD1 3.9Å; I262-L267 HydrophobicContact CD1-CG 4.31Å; I262-I270 HydrophobicContact CD1-CD1 3.83Å; I262-I297 HydrophobicContact CD1-CG2 4.24Å; I262-I297 HydrophobicContact CG1-CB 4.14Å; I262-I297 HydrophobicContact CG1-CG2 3.89Å; I262-I297 PolarHBondContact N-O 3.06Å; I262-I299 HydrophobicContact CD1-CB 3.98Å; I262-I299 HydrophobicContact CD1-CD1 4.37Å; I262-I299 HydrophobicContact CD1-CG2 3.89Å; I262-I299 HydrophobicContact CG1-CG2 4.3Å; I262-I299 HydrophobicContact CG2-CG2 3.98Å
263S92.4Very high88Confident44 Ų4465.5 Ų65.531%0.30835%0.346SS..  trans-81.5164.2168.191.60000111.6E265 E266 L267S263-E265 VanDerWaalsContact C-N 3.27Å; S263-E265 WeakPolarHBondContact CB-OE2 3.43Å; S263-E265 PolarHBondContact O-N 2.96Å; S263-E265 PolarHBondContact OG-N 2.8Å; S263-E265 PolarHBondContact OG-OE2 3.38Å; S263-E266 PolarHBondContact N-OE2 3.06Å; S263-E266 PolarHBondContact O-N 2.79Å; S263-E266 PolarHBondContact OG-N 3.21Å; S263-E266 VanDerWaalsContact OG-N 3.15Å; S263-L267 PolarHBondContact O-N 2.8Å
264I93.1Very high89Confident33 Ų3363.3 Ų63.317%0.16934%0.335CS..Hα-helixtrans-66.3-33.2176-166.6159.4000111.6L267 Q268 W276 D277 F280 Y292 I297I264-L267 WeakPolarHBondContact O-CB 3.31Å; I264-L267 PolarHBondContact O-N 3.42Å; I264-Q268 WeakPolarHBondContact O-CB 3.36Å; I264-Q268 PolarHBondContact O-N 2.57Å; I264-W276 HydrophobicContact CG1-CB 4.36Å; I264-D277 HydrophobicContact CD1-CB 4.39Å; I264-D277 VanDerWaalsContact CD1-CG 3.46Å; I264-D277 WeakPolarHBondContact CD1-OD1 3.18Å; I264-F280 HydrophobicContact CD1-CD2 3.97Å; I264-F280 HydrophobicContact CD1-CE2 4.04Å; I264-Y292 HydrophobicContact CD1-CE2 4.36Å; I264-I297 HydrophobicContact CB-CD1 3.92Å; I264-I297 HydrophobicContact CG1-CD1 4.3Å
265E94.5Very high90Very high126 Ų12660.7 Ų60.759%0.58933%0.326SS*.Hα-helixtrans-65.2-42.1174.7-55.880.2-176.600111S263 L267 Q268 L269S263-E265 VanDerWaalsContact C-N 3.27Å; S263-E265 WeakPolarHBondContact CB-OE2 3.43Å; S263-E265 PolarHBondContact O-N 2.96Å; S263-E265 PolarHBondContact OG-N 2.8Å; S263-E265 PolarHBondContact OG-OE2 3.38Å; E265-L267 VanDerWaalsContact C-N 3.35Å; E265-Q268 PolarHBondContact O-N 2.93Å; E265-L269 WeakPolarHBondContact O-CG 3.35Å; E265-L269 PolarHBondContact O-N 3.32Å; E265-L269 VanDerWaalsContact O-N 3.12Å
266E93.9Very high91.1Very high81 Ų8154 Ų5438%0.37929%0.29SS..Hα-helixtrans-64.3-40.1173.5-69.1-177.4126.100111.7I262 S263 L269 I270I262-E266 WeakPolarHBondContact CA-OE2 3.44Å; I262-E266 HydrophobicContact CB-CB 4.21Å; I262-E266 WeakPolarHBondContact CB-OE2 3.21Å; S263-E266 PolarHBondContact N-OE2 3.06Å; S263-E266 PolarHBondContact O-N 2.79Å; S263-E266 PolarHBondContact OG-N 3.21Å; S263-E266 VanDerWaalsContact OG-N 3.15Å; E266-L269 WeakPolarHBondContact O-CB 3.13Å; E266-L269 PolarHBondContact O-N 3.09Å; E266-I270 WeakPolarHBondContact O-CD1 3.38Å; E266-I270 VanDerWaalsContact O-CG1 3.27Å; E266-I270 WeakPolarHBondContact O-CG1 3.39Å; E266-I270 PolarHBondContact O-N 2.87Å
267L95.4Very high92.2Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-61.7-43.3175.5-179.360.2000111.8I193 I262 S263 I264 E265 L269 I270 C271 W276 F280 I297 I299 L305I193-L267 HydrophobicContact CD1-CD1 3.83Å; I193-L267 HydrophobicContact CD1-CD2 3.41Å; I193-L267 VanDerWaalsContact CD1-CD2 3.41Å; I193-L267 HydrophobicContact CD1-CG 4.28Å; I262-L267 HydrophobicContact CD1-CB 3.7Å; I262-L267 HydrophobicContact CD1-CD1 3.9Å; I262-L267 HydrophobicContact CD1-CG 4.31Å; S263-L267 PolarHBondContact O-N 2.8Å; I264-L267 WeakPolarHBondContact O-CB 3.31Å; I264-L267 PolarHBondContact O-N 3.42Å; E265-L267 VanDerWaalsContact C-N 3.35Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.28Å; L267-I270 WeakPolarHBondContact O-CB 3.43Å; L267-I270 PolarHBondContact O-N 3.43Å; L267-C271 PolarHBondContact O-N 3.26Å; L267-W276 HydrophobicContact CD1-CD2 4.32Å; L267-W276 HydrophobicContact CD1-CH2 4.42Å; L267-W276 HydrophobicContact CD1-CZ2 3.95Å; L267-W276 HydrophobicContact CD2-CB 4.11Å; L267-W276 HydrophobicContact CD2-CD2 3.42Å; L267-W276 VanDerWaalsContact CD2-CD2 3.42Å; L267-W276 HydrophobicContact CD2-CE3 3.66Å; L267-W276 HydrophobicContact CD2-CG 3.63Å; L267-W276 HydrophobicContact CD2-CZ2 4.47Å; L267-W276 HydrophobicContact CD2-CZ3 4.26Å; L267-W276 HydrophobicContact CG-CD2 3.72Å; L267-W276 HydrophobicContact CG-CE3 4.36Å; L267-W276 HydrophobicContact CG-CG 3.81Å; L267-W276 HydrophobicContact CG-CZ2 4.24Å; L267-F280 HydrophobicContact CD2-CE2 4.11Å; L267-F280 HydrophobicContact CD2-CZ 3.72Å; L267-I297 HydrophobicContact CD2-CD1 4.26Å; L267-I297 HydrophobicContact CD2-CG2 4.23Å; L267-I299 HydrophobicContact CD1-CD1 4.42Å; L267-L305 HydrophobicContact CD1-CD2 4.12Å
268Q96.8Very high93.1Very high60 Ų6055.3 Ų55.328%0.2829%0.29SS..Hα-helixtrans-61.2-34.8176.1-16763.554.500111.8I264 E265 C271 P272 I274I264-Q268 WeakPolarHBondContact O-CB 3.36Å; I264-Q268 PolarHBondContact O-N 2.57Å; E265-Q268 PolarHBondContact O-N 2.93Å; Q268-C271 CarbonylContact O-C 3.6Å; Q268-P272 WeakPolarHBondContact O-CA 3.44Å; Q268-P272 WeakPolarHBondContact O-CB 3.32Å; Q268-I274 PolarHBondContact NE2-O 3.16Å; Q268-I274 PolarHBondContact OE1-O 2.93Å
269L95.7Very high93.8Very high143 Ų14352 Ų5275%0.74927%0.273SS*.Hα-helixtrans-71.1-34.2173.3-68.5173.8000112.9E265 E266 L267E265-L269 WeakPolarHBondContact O-CG 3.35Å; E265-L269 PolarHBondContact O-N 3.32Å; E265-L269 VanDerWaalsContact O-N 3.12Å; E266-L269 WeakPolarHBondContact O-CB 3.13Å; E266-L269 PolarHBondContact O-N 3.09Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.28Å
270I94Very high94.3Very high7 Ų747.5 Ų47.54%0.03625%0.249CC..Hα-helixtrans-69.5-43.6178.3-68.5160.7000110.9I262 E266 L267 I299 R302 L305 K306I262-I270 HydrophobicContact CD1-CD1 3.83Å; E266-I270 WeakPolarHBondContact O-CD1 3.38Å; E266-I270 VanDerWaalsContact O-CG1 3.27Å; E266-I270 WeakPolarHBondContact O-CG1 3.39Å; E266-I270 PolarHBondContact O-N 2.87Å; L267-I270 WeakPolarHBondContact O-CB 3.43Å; L267-I270 PolarHBondContact O-N 3.43Å; I270-I299 HydrophobicContact CD1-CD1 4.16Å; I270-I299 HydrophobicContact CG2-CD1 4.24Å; I270-R302 HydrophobicContact CD1-CG 4.02Å; I270-R302 HydrophobicContact CG1-CG 4.48Å; I270-L305 HydrophobicContact CG2-CD2 4.25Å; I270-L305 HydrophobicContact CG2-CG 4.42Å; I270-K306 HydrophobicContact CG2-CB 4.05Å
271C96.1Very high94.6Very high0 Ų051.1 Ų51.10%026%0.26CS..  trans-135.782.7-179.5-176.80000111.1L267 Q268 Q273 W276 L305 C309L267-C271 PolarHBondContact O-N 3.26Å; Q268-C271 CarbonylContact O-C 3.6Å; C271-Q273 PolarHBondContact O-N 3.25Å; C271-W276 HydrophobicContact CB-CZ2 3.83Å; C271-W276 PolarHBondContact O-NE1 2.7Å; C271-L305 HydrophobicContact CB-CG 4.47Å; C271-C309 WeakPolarHBondContact CA-SG 3.42Å; C271-C309 HydrophobicContact CB-CB 3.61Å; C271-C309 WeakPolarHBondContact CB-SG 3.04Å; C271-C309 WeakPolarHBondContact SG-CB 3.36Å; C271-C309 CovalentContact SG-SG 2.03Å; C271-C309 PolarHBondContact SG-SG 3.04Å
272P96Very high94.7Very high76 Ų7649.6 Ų49.649%0.49425%0.249SC..THydrogen-bonded Turntrans-74.2-7.8-175.227.4-34.4000114.1Q268 I274Q268-P272 WeakPolarHBondContact O-CA 3.44Å; Q268-P272 WeakPolarHBondContact O-CB 3.32Å; P272-I274 VanDerWaalsContact C-N 3.27Å
273Q94Very high94.8Very high62 Ų6249.1 Ų49.129%0.2925%0.247SC..THydrogen-bonded Turntrans-80.6-9.6-179.3-52.8-53.4-58.400113.3L163 C271L163-Q273 HydrophobicContact CD2-CB 3.77Å; C271-Q273 PolarHBondContact O-N 3.25Å
274I96.6Very high94.8Very high1 Ų147.1 Ų47.11%0.00523%0.232CC..SBendtrans-113.6132.1179.6-58.6-59.9000108L163 T164 F167 L179 F180 Q268 P272 W276 L279L163-I274 HydrophobicContact CD2-CD1 4.25Å; L163-I274 HydrophobicContact CG-CD1 4.15Å; T164-I274 HydrophobicContact CG2-CG2 4.24Å; F167-I274 HydrophobicContact CD2-CD1 3.86Å; L179-I274 HydrophobicContact CD2-CD1 3.93Å; L179-I274 HydrophobicContact CD2-CG1 3.95Å; F180-I274 HydrophobicContact CE1-CD1 4.47Å; F180-I274 HydrophobicContact CE1-CG1 4.36Å; Q268-I274 PolarHBondContact NE2-O 3.16Å; Q268-I274 PolarHBondContact OE1-O 2.93Å; P272-I274 VanDerWaalsContact C-N 3.27Å; I274-W276 HydrophobicContact CB-CD2 4.25Å; I274-W276 HydrophobicContact CB-CZ2 4Å; I274-W276 HydrophobicContact CG1-CZ2 4.28Å; I274-W276 HydrophobicContact CG2-CD2 3.76Å; I274-W276 HydrophobicContact CG2-CE3 4Å; I274-W276 HydrophobicContact CG2-CG 4.23Å; I274-W276 HydrophobicContact CG2-CH2 4.33Å; I274-W276 HydrophobicContact CG2-CZ2 4.09Å; I274-W276 HydrophobicContact CG2-CZ3 4.28Å; I274-W276 PolarHBondContact O-N 2.85Å; I274-L279 HydrophobicContact CG2-CD1 4.03Å
275N96.9Very high94.7Very high77 Ų7751.1 Ų51.141%0.41225%0.25SS..  trans-82.992.4168.2-176.8-14.3000108.7T164 Y278 L279T164-N275 HydrophobicContact CG2-CB 4.21Å; T164-N275 PolarHBondContact OG1-N 3.06Å; N275-Y278 VanDerWaalsContact CG-CB 3.47Å; N275-Y278 PolarHBondContact OD1-N 3.23Å; N275-L279 WeakPolarHBondContact O-CB 3.07Å; N275-L279 PolarHBondContact O-N 3.08Å
276W96.2Very high94.5Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-67.3-39.5-171.2-68101.3000113.3F180 I193 I264 L267 C271 I274 L279 F280 L305F180-W276 HydrophobicContact CD1-CH2 4.05Å; F180-W276 HydrophobicContact CD2-CH2 4.02Å; F180-W276 HydrophobicContact CD2-CZ3 4.03Å; F180-W276 AromaticContact CE1-CH2 3.92Å; F180-W276 HydrophobicContact CE1-CH2 3.92Å; F180-W276 HydrophobicContact CE1-CZ3 4.25Å; F180-W276 AromaticContact CE2-CH2 3.87Å; F180-W276 HydrophobicContact CE2-CH2 3.87Å; F180-W276 AromaticContact CE2-CZ3 3.55Å; F180-W276 HydrophobicContact CE2-CZ3 3.55Å; F180-W276 HydrophobicContact CG-CH2 4.08Å; F180-W276 AromaticContact CZ-CH2 3.81Å; F180-W276 HydrophobicContact CZ-CH2 3.81Å; F180-W276 AromaticContact CZ-CZ3 3.66Å; F180-W276 HydrophobicContact CZ-CZ3 3.66Å; I193-W276 HydrophobicContact CD1-CE3 4.12Å; I193-W276 HydrophobicContact CD1-CH2 4.05Å; I193-W276 HydrophobicContact CD1-CZ3 3.66Å; I193-W276 HydrophobicContact CG1-CZ3 4.5Å; I193-W276 HydrophobicContact CG2-CH2 4.49Å; I264-W276 HydrophobicContact CG1-CB 4.36Å; L267-W276 HydrophobicContact CD1-CD2 4.32Å; L267-W276 HydrophobicContact CD1-CH2 4.42Å; L267-W276 HydrophobicContact CD1-CZ2 3.95Å; L267-W276 HydrophobicContact CD2-CB 4.11Å; L267-W276 HydrophobicContact CD2-CD2 3.42Å; L267-W276 VanDerWaalsContact CD2-CD2 3.42Å; L267-W276 HydrophobicContact CD2-CE3 3.66Å; L267-W276 HydrophobicContact CD2-CG 3.63Å; L267-W276 HydrophobicContact CD2-CZ2 4.47Å; L267-W276 HydrophobicContact CD2-CZ3 4.26Å; L267-W276 HydrophobicContact CG-CD2 3.72Å; L267-W276 HydrophobicContact CG-CE3 4.36Å; L267-W276 HydrophobicContact CG-CG 3.81Å; L267-W276 HydrophobicContact CG-CZ2 4.24Å; C271-W276 HydrophobicContact CB-CZ2 3.83Å; C271-W276 PolarHBondContact O-NE1 2.7Å; I274-W276 HydrophobicContact CB-CD2 4.25Å; I274-W276 HydrophobicContact CB-CZ2 4Å; I274-W276 HydrophobicContact CG1-CZ2 4.28Å; I274-W276 HydrophobicContact CG2-CD2 3.76Å; I274-W276 HydrophobicContact CG2-CE3 4Å; I274-W276 HydrophobicContact CG2-CG 4.23Å; I274-W276 HydrophobicContact CG2-CH2 4.33Å; I274-W276 HydrophobicContact CG2-CZ2 4.09Å; I274-W276 HydrophobicContact CG2-CZ3 4.28Å; I274-W276 PolarHBondContact O-N 2.85Å; W276-L279 PolarHBondContact O-N 3.05Å; W276-F280 HydrophobicContact CB-CE2 4.22Å; W276-F280 HydrophobicContact CB-CZ 4.42Å; W276-F280 AromaticContact CE3-CE1 3.8Å; W276-F280 HydrophobicContact CE3-CE1 3.8Å; W276-F280 AromaticContact CE3-CZ 3.76Å; W276-F280 HydrophobicContact CE3-CZ 3.76Å; W276-F280 HydrophobicContact CZ3-CE1 4.3Å; W276-F280 HydrophobicContact CZ3-CZ 4.46Å; W276-F280 WeakPolarHBondContact O-CB 3.47Å; W276-F280 WeakPolarHBondContact O-CD2 3.32Å; W276-F280 WeakPolarHBondContact O-CG 3.38Å; W276-F280 PolarHBondContact O-N 3.32Å; W276-L305 HydrophobicContact CH2-CD2 4.47Å; W276-L305 HydrophobicContact CZ2-CD2 4.35Å
277D94.4Very high94.3Very high64 Ų6445.4 Ų45.434%0.34222%0.224SC..Hα-helixtrans-57.6-54175.7-87.6-61.8000111.2I264 L279 F280 E281 Y292I264-D277 HydrophobicContact CD1-CB 4.39Å; I264-D277 VanDerWaalsContact CD1-CG 3.46Å; I264-D277 WeakPolarHBondContact CD1-OD1 3.18Å; D277-L279 VanDerWaalsContact C-N 3.31Å; D277-L279 PolarHBondContact O-N 3.13Å; D277-F280 PolarHBondContact O-N 2.93Å; D277-E281 WeakPolarHBondContact O-CB 3.2Å; D277-E281 PolarHBondContact O-N 3.2Å; D277-Y292 WeakPolarHBondContact OD1-CE2 3.39Å; D277-Y292 PolarHBondContact OD1-OH 2.97Å
278Y95Very high94Very high73 Ų7348 Ų4829%0.28625%0.251SS..Hα-helixtrans-59.2-42.7178169.8-106.5000112.1T164 D165 L168 N275 K282T164-Y278 HydrophobicContact CG2-CD1 3.83Å; T164-Y278 HydrophobicContact CG2-CE1 4.3Å; D165-Y278 VanDerWaalsContact OD1-CE1 3.26Å; D165-Y278 WeakPolarHBondContact OD1-CE1 3.49Å; D165-Y278 PolarHBondContact OD1-OH 3.25Å; L168-Y278 HydrophobicContact CD2-CE1 3.95Å; N275-Y278 VanDerWaalsContact CG-CB 3.47Å; N275-Y278 PolarHBondContact OD1-N 3.23Å; Y278-K282 HydrophobicContact CD2-CG 4.03Å; Y278-K282 HydrophobicContact CE1-CG 4.43Å; Y278-K282 HydrophobicContact CE2-CD 4.18Å; Y278-K282 VanDerWaalsContact CE2-CE 3.42Å; Y278-K282 HydrophobicContact CE2-CG 3.67Å; Y278-K282 WeakPolarHBondContact O-CB 3.29Å; Y278-K282 VanDerWaalsContact O-CG 3.31Å; Y278-K282 WeakPolarHBondContact O-CG 3.36Å; Y278-K282 PolarHBondContact O-N 3.48Å
279L95.5Very high93.6Very high0 Ų047.3 Ų47.30%025%0.246CC..Hα-helixtrans-63.7-46.7179.8-175.2143000111.9T164 L168 F180 L182 I274 N275 W276 D277 L283T164-L279 HydrophobicContact CG2-CB 4.11Å; T164-L279 HydrophobicContact CG2-CD1 4.16Å; L168-L279 HydrophobicContact CD1-CG 4.45Å; F180-L279 HydrophobicContact CE2-CD1 4.45Å; F180-L279 HydrophobicContact CE2-CD2 4.38Å; F180-L279 HydrophobicContact CZ-CD1 3.68Å; F180-L279 HydrophobicContact CZ-CD2 4.38Å; L182-L279 HydrophobicContact CD1-CD2 3.77Å; I274-L279 HydrophobicContact CG2-CD1 4.03Å; N275-L279 WeakPolarHBondContact O-CB 3.07Å; N275-L279 PolarHBondContact O-N 3.08Å; W276-L279 PolarHBondContact O-N 3.05Å; D277-L279 VanDerWaalsContact C-N 3.31Å; D277-L279 PolarHBondContact O-N 3.13Å; L279-L283 VanDerWaalsContact O-CB 3.28Å; L279-L283 WeakPolarHBondContact O-CB 3.27Å; L279-L283 PolarHBondContact O-N 3.43Å
280F95.1Very high93Very high1 Ų148.8 Ų48.80%0.00425%0.249CC..Hα-helixtrans-66.1-43.5178.8-65.4-23.5000111.9L182 I191 I193 I264 L267 W276 D277 K282 L283 L284 Y292 I297L182-F280 HydrophobicContact CD1-CD1 3.82Å; L182-F280 HydrophobicContact CD1-CE1 3.64Å; I191-F280 HydrophobicContact CD1-CD1 4.14Å; I191-F280 HydrophobicContact CD1-CD2 3.88Å; I191-F280 HydrophobicContact CD1-CE1 4.3Å; I191-F280 HydrophobicContact CD1-CE2 4.04Å; I191-F280 HydrophobicContact CD1-CG 3.93Å; I191-F280 HydrophobicContact CD1-CZ 4.24Å; I191-F280 HydrophobicContact CG2-CD1 4.48Å; I191-F280 HydrophobicContact CG2-CE1 3.88Å; I191-F280 HydrophobicContact CG2-CZ 4.08Å; I193-F280 HydrophobicContact CD1-CE1 4.42Å; I193-F280 HydrophobicContact CD1-CZ 4.02Å; I264-F280 HydrophobicContact CD1-CD2 3.97Å; I264-F280 HydrophobicContact CD1-CE2 4.04Å; L267-F280 HydrophobicContact CD2-CE2 4.11Å; L267-F280 HydrophobicContact CD2-CZ 3.72Å; W276-F280 HydrophobicContact CB-CE2 4.22Å; W276-F280 HydrophobicContact CB-CZ 4.42Å; W276-F280 AromaticContact CE3-CE1 3.8Å; W276-F280 HydrophobicContact CE3-CE1 3.8Å; W276-F280 AromaticContact CE3-CZ 3.76Å; W276-F280 HydrophobicContact CE3-CZ 3.76Å; W276-F280 HydrophobicContact CZ3-CE1 4.3Å; W276-F280 HydrophobicContact CZ3-CZ 4.46Å; W276-F280 WeakPolarHBondContact O-CB 3.47Å; W276-F280 WeakPolarHBondContact O-CD2 3.32Å; W276-F280 WeakPolarHBondContact O-CG 3.38Å; W276-F280 PolarHBondContact O-N 3.32Å; D277-F280 PolarHBondContact O-N 2.93Å; F280-K282 PolarHBondContact O-N 2.84Å; F280-L283 PolarHBondContact O-N 2.86Å; F280-L284 VanDerWaalsContact O-CB 3.31Å; F280-L284 WeakPolarHBondContact O-CB 3.15Å; F280-L284 WeakPolarHBondContact O-CG 3.18Å; F280-L284 PolarHBondContact O-N 3.37Å; F280-Y292 HydrophobicContact CB-CD2 3.62Å; F280-Y292 HydrophobicContact CB-CE2 3.97Å; F280-Y292 HydrophobicContact CB-CG 4.06Å; F280-Y292 HydrophobicContact CD2-CD2 4.11Å; F280-Y292 HydrophobicContact CD2-CE2 4.29Å; F280-Y292 HydrophobicContact CG-CD2 4.37Å; F280-I297 HydrophobicContact CE2-CD1 3.78Å; F280-I297 HydrophobicContact CE2-CG1 4.39Å; F280-I297 HydrophobicContact CZ-CD1 4.37Å
281E93.3Very high92.6Very high97 Ų9754.2 Ų54.245%0.45327%0.272SS..Hα-helixtrans-55.4-53.5176.1-173-174.2173.500110.2D277 L283 L284 Q285 Y292D277-E281 WeakPolarHBondContact O-CB 3.2Å; D277-E281 PolarHBondContact O-N 3.2Å; E281-L283 PolarHBondContact O-N 3.5Å; E281-L284 PolarHBondContact O-N 3.43Å; E281-Q285 WeakPolarHBondContact O-CB 3.43Å; E281-Q285 PolarHBondContact O-N 3.45Å; E281-Y292 HydrophobicContact CB-CD1 4.24Å; E281-Y292 HydrophobicContact CB-CE1 3.69Å; E281-Y292 HydrophobicContact CG-CE1 4.15Å
282K92.9Very high92Very high83 Ų8355.9 Ų55.936%0.36128%0.279SS..Hα-helixtrans-61.4-43.6-178.9-72.9-65.1178.9-165.40113L168 Y278 F280L168-K282 HydrophobicContact CD1-CB 4.09Å; L168-K282 HydrophobicContact CD2-CB 3.94Å; L168-K282 HydrophobicContact CD2-CG 4.05Å; Y278-K282 HydrophobicContact CD2-CG 4.03Å; Y278-K282 HydrophobicContact CE1-CG 4.43Å; Y278-K282 HydrophobicContact CE2-CD 4.18Å; Y278-K282 VanDerWaalsContact CE2-CE 3.42Å; Y278-K282 HydrophobicContact CE2-CG 3.67Å; Y278-K282 WeakPolarHBondContact O-CB 3.29Å; Y278-K282 VanDerWaalsContact O-CG 3.31Å; Y278-K282 WeakPolarHBondContact O-CG 3.36Å; Y278-K282 PolarHBondContact O-N 3.48Å; F280-K282 PolarHBondContact O-N 2.84Å
283L92.7Very high91.5Very high4 Ų458.2 Ų58.22%0.02129%0.287CS..Hα-helixtrans-68.3-45.8-177.3-167.868.3000112.1I171 L182 L279 F280 E281 E286 Y472 L476I171-L283 HydrophobicContact CG2-CD1 4.47Å; I171-L283 HydrophobicContact CG2-CD2 4.3Å; L182-L283 HydrophobicContact CD1-CD2 3.63Å; L182-L283 HydrophobicContact CD2-CD2 3.46Å; L182-L283 VanDerWaalsContact CD2-CD2 3.46Å; L182-L283 HydrophobicContact CG-CD2 4.05Å; L279-L283 VanDerWaalsContact O-CB 3.28Å; L279-L283 WeakPolarHBondContact O-CB 3.27Å; L279-L283 PolarHBondContact O-N 3.43Å; F280-L283 PolarHBondContact O-N 2.86Å; E281-L283 PolarHBondContact O-N 3.5Å; L283-E286 PolarHBondContact O-N 3.32Å; L283-Y472 HydrophobicContact CD1-CE1 4.05Å; L283-L476 HydrophobicContact CD2-CD1 4.5Å; L283-L476 HydrophobicContact CG-CD1 4.26Å
284L92.8Very high91.1Very high2 Ų261.5 Ų61.51%0.0130%0.302CS..Hα-helixtrans-82.7-22.5-173.7-64.5172.3000112.3I184 I191 F280 E281 E286 T287 G288 Y289 Y292 L295 L480I184-L284 HydrophobicContact CD1-CD2 4.35Å; I191-L284 HydrophobicContact CD1-CD1 4.09Å; F280-L284 VanDerWaalsContact O-CB 3.31Å; F280-L284 WeakPolarHBondContact O-CB 3.15Å; F280-L284 WeakPolarHBondContact O-CG 3.18Å; F280-L284 PolarHBondContact O-N 3.37Å; E281-L284 PolarHBondContact O-N 3.43Å; L284-E286 PolarHBondContact O-N 2.89Å; L284-T287 WeakPolarHBondContact O-CB 3.49Å; L284-T287 PolarHBondContact O-N 3.47Å; L284-T287 PolarHBondContact O-OG1 3.36Å; L284-G288 PolarHBondContact O-N 2.98Å; L284-Y289 PolarHBondContact O-N 3.46Å; L284-Y292 HydrophobicContact CD1-CG 4.45Å; L284-L295 HydrophobicContact CD1-CD1 4.03Å; L284-L480 HydrophobicContact CD2-CD1 3.82Å
285Q91.5Very high90.8Very high117 Ų11762.1 Ų62.155%0.54731%0.306SS..Hα-helixtrans-56.2-38.2169.1-176.3174.529.200111.9E281 T287 G288E281-Q285 WeakPolarHBondContact O-CB 3.43Å; E281-Q285 PolarHBondContact O-N 3.45Å; Q285-T287 PolarHBondContact O-N 3.24Å; Q285-G288 PolarHBondContact O-N 2.86Å
286E89.6Confident90.6Very high77 Ų7761.3 Ų61.336%0.3631%0.306SS..THydrogen-bonded Turntrans-64.6-21.5176.7-63.7-164.1170.600113.2L283 L284 K469 I473L283-E286 PolarHBondContact O-N 3.32Å; L284-E286 PolarHBondContact O-N 2.89Å; E286-K469 WeakPolarHBondContact OE1-CE 3.48Å; E286-K469 IonicContact OE1-NZ 2.7Å; E286-K469 PolarHBondContact OE1-NZ 2.88Å; E286-K469 WeakPolarHBondContact OE2-CE 3.43Å; E286-K469 IonicContact OE2-NZ 3.23Å; E286-K469 PolarHBondContact OE2-NZ 2.92Å; E286-I473 HydrophobicContact CB-CD1 4.31Å; E286-I473 WeakPolarHBondContact OE2-CD1 3.29Å
287T90.9Very high90.6Very high9 Ų961.8 Ų61.86%0.05531%0.309CS..THydrogen-bonded Turntrans-86.4-11.3176.174.10000112.9L284 Q285 Y289 L476 K477 L480 F481L284-T287 WeakPolarHBondContact O-CB 3.49Å; L284-T287 PolarHBondContact O-N 3.47Å; L284-T287 PolarHBondContact O-OG1 3.36Å; Q285-T287 PolarHBondContact O-N 3.24Å; T287-Y289 VanDerWaalsContact C-N 3.29Å; T287-Y289 WeakPolarHBondContact OG1-CB 3.4Å; T287-Y289 PolarHBondContact OG1-N 2.93Å; T287-L476 HydrophobicContact CG2-CB 3.64Å; T287-L476 HydrophobicContact CG2-CD1 3.97Å; T287-L476 HydrophobicContact CG2-CG 4.49Å; T287-K477 HydrophobicContact CG2-CG 4.27Å; T287-L480 HydrophobicContact CG2-CD1 4.22Å; T287-F481 WeakPolarHBondContact O-CE2 3.27Å
288G88.5Confident90.6Very high54 Ų5459.9 Ų59.956%0.55730%0.298SS*.THydrogen-bonded Turntrans77.79.9-168.100000114L284 Q285 E290L284-G288 PolarHBondContact O-N 2.98Å; Q285-G288 PolarHBondContact O-N 2.86Å; G288-E290 PolarHBondContact O-N 3.44Å
289Y88.2Confident90.5Very high46 Ų4656.5 Ų56.518%0.1829%0.285CS..  trans-93.296.6178.5-164.4-86.1000110.8L284 T287 K291 L295 L480 F481L284-Y289 PolarHBondContact O-N 3.46Å; T287-Y289 VanDerWaalsContact C-N 3.29Å; T287-Y289 WeakPolarHBondContact OG1-CB 3.4Å; T287-Y289 PolarHBondContact OG1-N 2.93Å; Y289-K291 HydrophobicContact CE1-CB 4.45Å; Y289-K291 WeakPolarHBondContact CE1-O 3.45Å; Y289-L295 HydrophobicContact CD1-CD1 4.22Å; Y289-L295 HydrophobicContact CE1-CD1 3.76Å; Y289-L295 HydrophobicContact CE1-CD2 4.02Å; Y289-L295 HydrophobicContact CE1-CG 3.83Å; Y289-L295 WeakPolarHBondContact OH-CD2 3.44Å; Y289-L480 HydrophobicContact CD1-CD2 4.4Å; Y289-L480 HydrophobicContact CD2-CB 4.12Å; Y289-L480 HydrophobicContact CD2-CD1 4.44Å; Y289-L480 HydrophobicContact CD2-CD2 4.16Å; Y289-L480 HydrophobicContact CD2-CG 4.46Å; Y289-L480 HydrophobicContact CE2-CD2 4.28Å; Y289-L480 HydrophobicContact CG-CD1 4.2Å; Y289-L480 HydrophobicContact CG-CD2 4.23Å; Y289-F481 AromaticContact CD2-CE1 3.97Å; Y289-F481 HydrophobicContact CD2-CE1 3.97Å; Y289-F481 AromaticContact CD2-CZ 3.93Å; Y289-F481 HydrophobicContact CD2-CZ 3.93Å
290E83.8Confident90.3Very high175 Ų17559.7 Ų59.782%0.81830%0.3SS*.  trans-80-25.8-173.1-62.5-177.9165.600114.1G288 Y292G288-E290 PolarHBondContact O-N 3.44Å; E290-Y292 PolarHBondContact O-N 2.91Å
291K84.1Confident90Very high120 Ų12064.4 Ų64.452%0.52232%0.32SS..  trans-9648-170.1-62.4-177-177175.30113Y289 N293 Q294Y289-K291 HydrophobicContact CE1-CB 4.45Å; Y289-K291 WeakPolarHBondContact CE1-O 3.45Å; K291-N293 PolarHBondContact O-N 3.17Å; K291-N293 VanDerWaalsContact O-N 3.15Å; K291-Q294 HydrophobicContact CB-CG 4.07Å; K291-Q294 WeakPolarHBondContact O-CB 3.45Å; K291-Q294 PolarHBondContact O-N 2.97Å
292Y84.8Confident89.9Confident35 Ų3562.1 Ų62.114%0.13731%0.308CS..G310 helixtrans-58.2-31.3-175.473.8-93.3000113.4I264 D277 F280 E281 L284 E290 Q294 L295I264-Y292 HydrophobicContact CD1-CE2 4.36Å; D277-Y292 WeakPolarHBondContact OD1-CE2 3.39Å; D277-Y292 PolarHBondContact OD1-OH 2.97Å; F280-Y292 HydrophobicContact CB-CD2 3.62Å; F280-Y292 HydrophobicContact CB-CE2 3.97Å; F280-Y292 HydrophobicContact CB-CG 4.06Å; F280-Y292 HydrophobicContact CD2-CD2 4.11Å; F280-Y292 HydrophobicContact CD2-CE2 4.29Å; F280-Y292 HydrophobicContact CG-CD2 4.37Å; E281-Y292 HydrophobicContact CB-CD1 4.24Å; E281-Y292 HydrophobicContact CB-CE1 3.69Å; E281-Y292 HydrophobicContact CG-CE1 4.15Å; L284-Y292 HydrophobicContact CD1-CG 4.45Å; E290-Y292 PolarHBondContact O-N 2.91Å; Y292-Q294 PolarHBondContact O-N 3.2Å; Y292-Q294 VanDerWaalsContact O-N 3.1Å; Y292-L295 WeakPolarHBondContact O-CB 3.28Å; Y292-L295 PolarHBondContact O-N 3.25Å
293N85.9Confident89.7Confident125 Ų12559.4 Ų59.467%0.66830%0.295SS*.G310 helixtrans-64.5-9.9177.763.8-6.4000114.4K291K291-N293 PolarHBondContact O-N 3.17Å; K291-N293 VanDerWaalsContact O-N 3.15Å
294Q85.6Confident89.5Confident131 Ų13160.4 Ų60.461%0.61230%0.3SS*.G310 helixtrans-88.4-13.7173-60.1-172-25.500112.8K291 Y292K291-Q294 HydrophobicContact CB-CG 4.07Å; K291-Q294 WeakPolarHBondContact O-CB 3.45Å; K291-Q294 PolarHBondContact O-N 2.97Å; Y292-Q294 PolarHBondContact O-N 3.2Å; Y292-Q294 VanDerWaalsContact O-N 3.1Å
295L90.2Very high89.4Confident15 Ų1560.4 Ų60.48%0.07930%0.3CS..SBendtrans-79.5136179.2-59.4172.7000109.6I184 F189 I191 L284 Y289 Y292 L480I184-L295 HydrophobicContact CD1-CD1 4.5Å; F189-L295 HydrophobicContact CB-CD2 4.38Å; F189-L295 WeakPolarHBondContact O-CD2 3.44Å; I191-L295 HydrophobicContact CD1-CB 4.33Å; I191-L295 HydrophobicContact CD1-CD1 4.21Å; I191-L295 HydrophobicContact CG1-CB 4.05Å; I191-L295 HydrophobicContact CG1-CD1 3.86Å; L284-L295 HydrophobicContact CD1-CD1 4.03Å; Y289-L295 HydrophobicContact CD1-CD1 4.22Å; Y289-L295 HydrophobicContact CE1-CD1 3.76Å; Y289-L295 HydrophobicContact CE1-CD2 4.02Å; Y289-L295 HydrophobicContact CE1-CG 3.83Å; Y289-L295 WeakPolarHBondContact OH-CD2 3.44Å; Y292-L295 WeakPolarHBondContact O-CB 3.28Å; Y292-L295 PolarHBondContact O-N 3.25Å; L295-L480 HydrophobicContact CD1-CD2 3.81Å; L295-L480 HydrophobicContact CD2-CD2 4.22Å
296S92.8Very high89.4Confident60 Ų6059.2 Ų59.242%0.4229%0.293SS..EExtended strand (participates in β ladder)trans-67.5152.9167.3-65.50000110A190 I191A190-S296 CarbonylContact C-O 3.57Å; A190-S296 WeakPolarHBondContact CA-O 3.36Å; A190-S296 VanDerWaalsContact CB-O 3.26Å; A190-S296 WeakPolarHBondContact CB-O 3.43Å; I191-S296 PolarHBondContact N-O 2.96Å
297I95.3Very high89.4Confident9 Ų960 Ų605%0.04629%0.293CS..EExtended strand (participates in β ladder)trans-111.1124.7175.7-57.8166.9000108.4I191 I193 I261 I262 I264 L267 F280I191-I297 HydrophobicContact CB-CG1 4.45Å; I191-I297 CarbonylContact O-C 3.51Å; I191-I297 WeakPolarHBondContact O-CA 3.28Å; I193-I297 HydrophobicContact CD1-CG2 4.05Å; I261-I297 CarbonylContact C-O 3.57Å; I261-I297 VanDerWaalsContact CA-O 3.26Å; I261-I297 WeakPolarHBondContact CA-O 3.42Å; I262-I297 HydrophobicContact CD1-CG2 4.24Å; I262-I297 HydrophobicContact CG1-CB 4.14Å; I262-I297 HydrophobicContact CG1-CG2 3.89Å; I262-I297 PolarHBondContact N-O 3.06Å; I264-I297 HydrophobicContact CB-CD1 3.92Å; I264-I297 HydrophobicContact CG1-CD1 4.3Å; L267-I297 HydrophobicContact CD2-CD1 4.26Å; L267-I297 HydrophobicContact CD2-CG2 4.23Å; F280-I297 HydrophobicContact CE2-CD1 3.78Å; F280-I297 HydrophobicContact CE2-CG1 4.39Å; F280-I297 HydrophobicContact CZ-CD1 4.37Å
298I94.2Very high89.4Confident25 Ų2560 Ų6013%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-102.2133.4169.7-55.4168.5000107.5E185 I188 A190 I191 I193 G260 I261E185-I298 HydrophobicContact CB-CD1 4.09Å; E185-I298 HydrophobicContact CG-CD1 4.25Å; I188-I298 HydrophobicContact CD1-CD1 3.47Å; I188-I298 VanDerWaalsContact CD1-CD1 3.47Å; I188-I298 HydrophobicContact CD1-CG1 4.19Å; I188-I298 HydrophobicContact CG1-CD1 4.14Å; A190-I298 HydrophobicContact CB-CD1 3.75Å; A190-I298 HydrophobicContact CB-CG1 3.87Å; I191-I298 PolarHBondContact O-N 2.83Å; I193-I298 PolarHBondContact N-O 3.08Å; G260-I298 WeakPolarHBondContact O-CA 3.27Å; I261-I298 HydrophobicContact CG1-CG1 4.4Å
299I93.6Very high89.6Confident1 Ų157.5 Ų57.51%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-112.8126.6167.3-169.1166.9000109.7I193 N259 G260 I262 L267 I270 R302 L305I193-I299 WeakPolarHBondContact O-CA 3.39Å; N259-I299 VanDerWaalsContact CA-O 3.31Å; N259-I299 WeakPolarHBondContact CA-O 3.38Å; G260-I299 PolarHBondContact N-O 3.44Å; G260-I299 VanDerWaalsContact N-O 3.11Å; G260-I299 PolarHBondContact O-N 2.62Å; I262-I299 HydrophobicContact CD1-CB 3.98Å; I262-I299 HydrophobicContact CD1-CD1 4.37Å; I262-I299 HydrophobicContact CD1-CG2 3.89Å; I262-I299 HydrophobicContact CG1-CG2 4.3Å; I262-I299 HydrophobicContact CG2-CG2 3.98Å; L267-I299 HydrophobicContact CD1-CD1 4.42Å; I270-I299 HydrophobicContact CD1-CD1 4.16Å; I270-I299 HydrophobicContact CG2-CD1 4.24Å; I299-R302 HydrophobicContact CD1-CB 4.09Å; I299-R302 HydrophobicContact CD1-CG 4.11Å; I299-R302 HydrophobicContact CG1-CB 4.29Å; I299-R302 HydrophobicContact CG2-CB 4.04Å; I299-R302 HydrophobicContact CG2-CG 4.42Å; I299-L305 HydrophobicContact CD1-CB 4.19Å; I299-L305 HydrophobicContact CD1-CD2 3.44Å; I299-L305 VanDerWaalsContact CD1-CD2 3.44Å; I299-L305 HydrophobicContact CD1-CG 4.41Å; I299-L305 HydrophobicContact CG1-CD2 4.33Å
300E91.3Very high89.8Confident68 Ų6860 Ų6032%0.31828%0.279SS..EExtended strand (participates in β ladder)trans-96.4139.1169.4-65.4-179.7-162.400110.4N192 I193 P195 L258 N259 R302N192-E300 PolarHBondContact ND2-OE1 3.5Å; N192-E300 PolarHBondContact OD1-OE1 2.99Å; I193-E300 PolarHBondContact O-N 3.09Å; P195-E300 WeakPolarHBondContact CD-O 3.38Å; L258-E300 CarbonylContact O-C 3.41Å; N259-E300 WeakPolarHBondContact OD1-CA 3.38Å; E300-R302 PolarHBondContact O-N 3.41Å
301K88Confident90.2Very high99 Ų9955 Ų5543%0.4326%0.255SS..SBendtrans45.255.9-177.5-58171.6-177.8170.10112.4P195 L258 N259 Y303 Q304P195-K301 HydrophobicContact CG-CB 3.65Å; P195-K301 HydrophobicContact CG-CD 3.93Å; P195-K301 HydrophobicContact CG-CG 4.32Å; L258-K301 WeakPolarHBondContact O-CA 3.42Å; L258-K301 PolarHBondContact O-N 3.44Å; N259-K301 PolarHBondContact OD1-N 3.39Å; K301-Y303 HydrophobicContact CB-CD1 4.49Å; K301-Y303 HydrophobicContact CB-CE1 4.06Å; K301-Y303 PolarHBondContact O-N 2.84Å; K301-Q304 HydrophobicContact CB-CB 4.36Å; K301-Q304 HydrophobicContact CB-CG 4.16Å; K301-Q304 VanDerWaalsContact CD-OE1 3.27Å; K301-Q304 WeakPolarHBondContact O-CB 3.42Å; K301-Q304 PolarHBondContact O-N 3.32Å
302R90.9Very high90.5Very high49 Ų4949.3 Ų49.319%0.18523%0.23CC..Hα-helixtrans-43.5-44-177.6175.9176.2-177.3164.45.1113.9E257 L258 I270 I299 E300 Q304 L305 K306E257-R302 WeakPolarHBondContact O-CB 3.36Å; E257-R302 PolarHBondContact O-N 3.46Å; E257-R302 IonicContact OE1-NE 3.63Å; L258-R302 PolarHBondContact O-N 3.1Å; L258-R302 VanDerWaalsContact O-N 3.15Å; I270-R302 HydrophobicContact CD1-CG 4.02Å; I270-R302 HydrophobicContact CG1-CG 4.48Å; I299-R302 HydrophobicContact CD1-CB 4.09Å; I299-R302 HydrophobicContact CD1-CG 4.11Å; I299-R302 HydrophobicContact CG1-CB 4.29Å; I299-R302 HydrophobicContact CG2-CB 4.04Å; I299-R302 HydrophobicContact CG2-CG 4.42Å; E300-R302 PolarHBondContact O-N 3.41Å; R302-Q304 VanDerWaalsContact C-N 3.27Å; R302-Q304 PolarHBondContact O-N 2.94Å; R302-L305 PolarHBondContact O-N 3.4Å; R302-K306 PolarHBondContact O-N 3.16Å
303Y88.6Confident90.9Very high26 Ų2647.8 Ų47.810%0.10223%0.225CC..Hα-helixtrans-59.4-33.7179.376.5-82.9000113.6I247 P250 I253 E257 L258 K301 Y307I247-Y303 HydrophobicContact CG2-CD2 4.26Å; I247-Y303 HydrophobicContact CG2-CE2 4.16Å; P250-Y303 HydrophobicContact CG-CD2 4.34Å; I253-Y303 HydrophobicContact CD1-CD1 3.5Å; I253-Y303 VanDerWaalsContact CD1-CD1 3.5Å; I253-Y303 HydrophobicContact CD1-CE1 4.11Å; I253-Y303 HydrophobicContact CD1-CG 3.75Å; E257-Y303 PolarHBondContact O-N 3.28Å; L258-Y303 HydrophobicContact CD2-CE1 4.36Å; K301-Y303 HydrophobicContact CB-CD1 4.49Å; K301-Y303 HydrophobicContact CB-CE1 4.06Å; K301-Y303 PolarHBondContact O-N 2.84Å; Y303-Y307 VanDerWaalsContact O-CB 3.32Å; Y303-Y307 WeakPolarHBondContact O-CB 3.36Å; Y303-Y307 PolarHBondContact O-N 2.88Å
304Q88.5Confident91.2Very high26 Ų2645.2 Ų45.212%0.12121%0.211CC..Hα-helixtrans-72.3-43.9179-65.8-166.7-38.700111.3P195 I247 K301 R302 K306 Y307 R308P195-Q304 HydrophobicContact CB-CB 4.37Å; P195-Q304 HydrophobicContact CG-CB 4.09Å; P195-Q304 VanDerWaalsContact CG-OE1 3.28Å; I247-Q304 HydrophobicContact CD1-CB 4.02Å; I247-Q304 HydrophobicContact CD1-CG 4.19Å; K301-Q304 HydrophobicContact CB-CB 4.36Å; K301-Q304 HydrophobicContact CB-CG 4.16Å; K301-Q304 VanDerWaalsContact CD-OE1 3.27Å; K301-Q304 WeakPolarHBondContact O-CB 3.42Å; K301-Q304 PolarHBondContact O-N 3.32Å; R302-Q304 VanDerWaalsContact C-N 3.27Å; R302-Q304 PolarHBondContact O-N 2.94Å; Q304-K306 VanDerWaalsContact C-N 3.34Å; Q304-Y307 PolarHBondContact O-N 2.83Å; Q304-R308 WeakPolarHBondContact O-CG 3.48Å; Q304-R308 PolarHBondContact O-N 2.82Å
305L91.5Very high91.4Very high1 Ų139.2 Ų39.21%0.00518%0.183CC..Hα-helixtrans-60.1-48.4176.2-17963.2000110.3L179 F180 I193 L267 I270 C271 W276 I299 R302 Y307 R308 C309L179-L305 HydrophobicContact CD1-CD1 4.36Å; L179-L305 HydrophobicContact CG-CD1 4.39Å; F180-L305 HydrophobicContact CB-CD1 3.95Å; I193-L305 HydrophobicContact CG2-CD2 3.99Å; L267-L305 HydrophobicContact CD1-CD2 4.12Å; I270-L305 HydrophobicContact CG2-CD2 4.25Å; I270-L305 HydrophobicContact CG2-CG 4.42Å; C271-L305 HydrophobicContact CB-CG 4.47Å; W276-L305 HydrophobicContact CH2-CD2 4.47Å; W276-L305 HydrophobicContact CZ2-CD2 4.35Å; I299-L305 HydrophobicContact CD1-CB 4.19Å; I299-L305 HydrophobicContact CD1-CD2 3.44Å; I299-L305 VanDerWaalsContact CD1-CD2 3.44Å; I299-L305 HydrophobicContact CD1-CG 4.41Å; I299-L305 HydrophobicContact CG1-CD2 4.33Å; R302-L305 PolarHBondContact O-N 3.4Å; L305-Y307 PolarHBondContact O-N 3.38Å; L305-R308 PolarHBondContact O-N 3.21Å; L305-C309 VanDerWaalsContact O-CB 3.24Å; L305-C309 WeakPolarHBondContact O-CB 3.34Å; L305-C309 PolarHBondContact O-N 3.09Å
306K91.7Very high91.3Very high92 Ų9240.2 Ų40.240%0.419%0.188SC..Hα-helixtrans-54.8-53.5177.7-172.4176.4177.5178.60111.3I270 R302 Q304 R308 C309 E310I270-K306 HydrophobicContact CG2-CB 4.05Å; R302-K306 PolarHBondContact O-N 3.16Å; Q304-K306 VanDerWaalsContact C-N 3.34Å; K306-R308 PolarHBondContact O-N 2.78Å; K306-C309 PolarHBondContact O-N 3.08Å; K306-E310 WeakPolarHBondContact CE-OE1 3.37Å; K306-E310 WeakPolarHBondContact O-CG 3.45Å; K306-E310 PolarHBondContact O-N 3.45Å
307Y90Very high91.1Very high95 Ų9545.1 Ų45.137%0.37320%0.202SC..Hα-helixtrans-59.7-47.1-178.6-179.2-88.4000112.5I247 Y303 Q304 L305 E310 K311I247-Y307 HydrophobicContact CB-CD1 4.38Å; I247-Y307 HydrophobicContact CD1-CD1 3.62Å; I247-Y307 HydrophobicContact CD1-CE1 4.38Å; I247-Y307 HydrophobicContact CD1-CG 4.29Å; I247-Y307 HydrophobicContact CG1-CD1 3.62Å; I247-Y307 HydrophobicContact CG1-CE1 3.95Å; I247-Y307 HydrophobicContact CG1-CG 4.38Å; I247-Y307 HydrophobicContact CG2-CD1 3.89Å; I247-Y307 HydrophobicContact CG2-CD2 4.27Å; I247-Y307 HydrophobicContact CG2-CE1 4.43Å; I247-Y307 HydrophobicContact CG2-CG 3.79Å; Y303-Y307 VanDerWaalsContact O-CB 3.32Å; Y303-Y307 WeakPolarHBondContact O-CB 3.36Å; Y303-Y307 PolarHBondContact O-N 2.88Å; Q304-Y307 PolarHBondContact O-N 2.83Å; L305-Y307 PolarHBondContact O-N 3.38Å; Y307-E310 PolarHBondContact O-N 2.79Å; Y307-K311 HydrophobicContact CD1-CG 4.37Å; Y307-K311 HydrophobicContact CE1-CG 3.99Å; Y307-K311 WeakPolarHBondContact O-CG 3.18Å; Y307-K311 PolarHBondContact O-N 3.28Å; Y307-K311 WeakPolarHBondContact OH-CE 3.31Å
308R89.9Confident90.7Very high9 Ų952.9 Ų52.93%0.03423%0.23CC..Hα-helixtrans-62.8-48.1178-71.2-175.2178.4164.54.8110.1H178 L179 G196 I198 D201 I247 Q304 L305 K306 E310 K311 Y312H178-R308 PolarHBondContact O-NH1 3.37Å; H178-R308 VanDerWaalsContact O-NH1 3.16Å; L179-R308 HydrophobicContact CD1-CB 3.71Å; G196-R308 PolarHBondContact O-NH1 3.02Å; I198-R308 VanDerWaalsContact CD1-CZ 3.48Å; D201-R308 IonicContact OD2-NH2 3.69Å; I247-R308 HydrophobicContact CD1-CG 3.69Å; Q304-R308 WeakPolarHBondContact O-CG 3.48Å; Q304-R308 PolarHBondContact O-N 2.82Å; L305-R308 PolarHBondContact O-N 3.21Å; K306-R308 PolarHBondContact O-N 2.78Å; R308-E310 VanDerWaalsContact C-N 3.29Å; R308-E310 PolarHBondContact O-N 2.75Å; R308-K311 WeakPolarHBondContact O-CA 3.33Å; R308-K311 WeakPolarHBondContact O-CB 3.21Å; R308-K311 PolarHBondContact O-N 2.98Å; R308-Y312 VanDerWaalsContact O-CD2 3.26Å; R308-Y312 WeakPolarHBondContact O-CD2 3.06Å; R308-Y312 PolarHBondContact O-N 3.47Å
309C92.8Very high90Very high1 Ų154.3 Ų54.31%0.00725%0.251CS..Hα-helixtrans-60.1-38.1-178.6-166.40000112.9L179 C271 L305 K306 Y312 G313L179-C309 HydrophobicContact CD1-CB 4.31Å; C271-C309 WeakPolarHBondContact CA-SG 3.42Å; C271-C309 HydrophobicContact CB-CB 3.61Å; C271-C309 WeakPolarHBondContact CB-SG 3.04Å; C271-C309 WeakPolarHBondContact SG-CB 3.36Å; C271-C309 CovalentContact SG-SG 2.03Å; C271-C309 PolarHBondContact SG-SG 3.04Å; L305-C309 VanDerWaalsContact O-CB 3.24Å; L305-C309 WeakPolarHBondContact O-CB 3.34Å; L305-C309 PolarHBondContact O-N 3.09Å; K306-C309 PolarHBondContact O-N 3.08Å; C309-Y312 PolarHBondContact O-N 2.83Å; C309-G313 PolarHBondContact O-N 2.92Å
310E92.6Very high89.6Confident98 Ų9857 Ų5746%0.45827%0.266SS..Hα-helixtrans-59-45.4171.2-74.4172.5-178.600111.7K306 Y307 R308 Y312 G313 D314K306-E310 WeakPolarHBondContact CE-OE1 3.37Å; K306-E310 WeakPolarHBondContact O-CG 3.45Å; K306-E310 PolarHBondContact O-N 3.45Å; Y307-E310 PolarHBondContact O-N 2.79Å; R308-E310 VanDerWaalsContact C-N 3.29Å; R308-E310 PolarHBondContact O-N 2.75Å; E310-Y312 PolarHBondContact O-N 3.31Å; E310-G313 CarbonylContact O-C 3.59Å; E310-G313 WeakPolarHBondContact O-CA 3.15Å; E310-G313 PolarHBondContact O-N 3.45Å; E310-G313 VanDerWaalsContact O-N 3.12Å; E310-D314 PolarHBondContact O-N 3.33Å
311K91.2Very high89.4Confident69 Ų6958.4 Ų58.430%0.327%0.271SS..Hα-helixtrans-61.1-43.3176.3-69.4-70.7-172.6168.90113.1L243 Y307 R308 G313 D314 I315L243-K311 HydrophobicContact CD2-CB 3.62Å; L243-K311 HydrophobicContact CD2-CG 4.46Å; Y307-K311 HydrophobicContact CD1-CG 4.37Å; Y307-K311 HydrophobicContact CE1-CG 3.99Å; Y307-K311 WeakPolarHBondContact O-CG 3.18Å; Y307-K311 PolarHBondContact O-N 3.28Å; Y307-K311 WeakPolarHBondContact OH-CE 3.31Å; R308-K311 WeakPolarHBondContact O-CA 3.33Å; R308-K311 WeakPolarHBondContact O-CB 3.21Å; R308-K311 PolarHBondContact O-N 2.98Å; K311-G313 VanDerWaalsContact C-N 3.31Å; K311-G313 PolarHBondContact O-N 2.67Å; K311-D314 PolarHBondContact O-N 2.81Å; K311-I315 VanDerWaalsContact O-CG1 3.31Å; K311-I315 WeakPolarHBondContact O-CG1 3.45Å; K311-I315 PolarHBondContact O-N 2.97Å
312Y92.3Very high89.5Confident2 Ų255.8 Ų55.81%0.00827%0.272CS..Hα-helixtrans-61.4-41.8173.1-81.3-92.1000111L163 F167 L179 L243 R308 C309 E310 D314 I315 M316 L324 M327L163-Y312 HydrophobicContact CD1-CD1 4.12Å; L163-Y312 HydrophobicContact CD2-CD1 4.29Å; L163-Y312 HydrophobicContact CD2-CG 4.44Å; F167-Y312 HydrophobicContact CE2-CD1 4.23Å; F167-Y312 HydrophobicContact CE2-CE1 4.01Å; F167-Y312 HydrophobicContact CZ-CD1 4.22Å; F167-Y312 AromaticContact CZ-CE1 3.54Å; F167-Y312 HydrophobicContact CZ-CE1 3.54Å; F167-Y312 AromaticContact CZ-CZ 3.75Å; L179-Y312 HydrophobicContact CB-CE2 4.18Å; L179-Y312 HydrophobicContact CD1-CD2 3.68Å; L179-Y312 HydrophobicContact CD1-CE2 3.79Å; L179-Y312 HydrophobicContact CG-CE2 4.47Å; L243-Y312 HydrophobicContact CD1-CE1 4.1Å; L243-Y312 HydrophobicContact CD1-CE2 3.98Å; L243-Y312 HydrophobicContact CD2-CD2 4.26Å; L243-Y312 HydrophobicContact CD2-CE2 4.1Å; R308-Y312 VanDerWaalsContact O-CD2 3.26Å; R308-Y312 WeakPolarHBondContact O-CD2 3.06Å; R308-Y312 PolarHBondContact O-N 3.47Å; C309-Y312 PolarHBondContact O-N 2.83Å; E310-Y312 PolarHBondContact O-N 3.31Å; Y312-D314 VanDerWaalsContact C-N 3.34Å; Y312-D314 PolarHBondContact O-N 3.43Å; Y312-I315 PolarHBondContact O-N 3.45Å; Y312-M316 VanDerWaalsContact O-CG 3.28Å; Y312-M316 WeakPolarHBondContact O-CG 3.19Å; Y312-M316 PolarHBondContact O-N 3.28Å; Y312-L324 HydrophobicContact CD1-CD1 3.7Å; Y312-L324 HydrophobicContact CD1-CD2 4.34Å; Y312-L324 HydrophobicContact CE1-CD1 3.62Å; Y312-M327 HydrophobicContact CE1-CE 3.86Å; Y312-M327 WeakPolarHBondContact OH-CE 3.39Å
313G91.7Very high89.7Confident2 Ų254.7 Ų54.72%0.02127%0.271CS..Hα-helixtrans-60.3-40.2174.800000113.4C309 E310 K311 M316 K317C309-G313 PolarHBondContact O-N 2.92Å; E310-G313 CarbonylContact O-C 3.59Å; E310-G313 WeakPolarHBondContact O-CA 3.15Å; E310-G313 PolarHBondContact O-N 3.45Å; E310-G313 VanDerWaalsContact O-N 3.12Å; K311-G313 VanDerWaalsContact C-N 3.31Å; K311-G313 PolarHBondContact O-N 2.67Å; G313-M316 PolarHBondContact O-N 3.08Å; G313-K317 VanDerWaalsContact O-CG 3.31Å; G313-K317 WeakPolarHBondContact O-CG 3.34Å; G313-K317 PolarHBondContact O-N 3.38Å
314D91.9Very high89.9Confident72 Ų7253.5 Ų53.539%0.38527%0.266SS..Hα-helixtrans-64.8-43.2175.5-71.7-18.1000111.8E310 K311 Y312 M316 K317 R318E310-D314 PolarHBondContact O-N 3.33Å; K311-D314 PolarHBondContact O-N 2.81Å; Y312-D314 VanDerWaalsContact C-N 3.34Å; Y312-D314 PolarHBondContact O-N 3.43Å; D314-M316 VanDerWaalsContact C-N 3.34Å; D314-M316 PolarHBondContact O-N 3.34Å; D314-K317 PolarHBondContact O-N 3.13Å; D314-R318 WeakPolarHBondContact O-CG 3.29Å; D314-R318 PolarHBondContact O-N 2.96Å
315I90.6Very high90.2Very high4 Ų452.7 Ų52.72%0.02126%0.262CS..Hα-helixtrans-60.4-45.6175.9-66.8163.4000110.4M239 L243 K311 Y312 K317 R318 G319 D320 L324M239-I315 HydrophobicContact CE-CG2 3.95Å; M239-I315 HydrophobicContact CG-CD1 4.21Å; M239-I315 HydrophobicContact SD-CD1 4.07Å; M239-I315 HydrophobicContact SD-CG2 4.2Å; L243-I315 HydrophobicContact CD1-CD1 4.08Å; L243-I315 HydrophobicContact CD2-CD1 4.09Å; L243-I315 HydrophobicContact CG-CD1 4.39Å; K311-I315 VanDerWaalsContact O-CG1 3.31Å; K311-I315 WeakPolarHBondContact O-CG1 3.45Å; K311-I315 PolarHBondContact O-N 2.97Å; Y312-I315 PolarHBondContact O-N 3.45Å; I315-K317 VanDerWaalsContact C-N 3.29Å; I315-K317 PolarHBondContact O-N 2.54Å; I315-R318 PolarHBondContact O-N 3.29Å; I315-G319 PolarHBondContact O-N 3.29Å; I315-D320 HydrophobicContact CG2-CB 4.2Å; I315-D320 PolarHBondContact O-N 2.62Å; I315-L324 HydrophobicContact CG2-CB 3.94Å; I315-L324 HydrophobicContact CG2-CD1 4.37Å; I315-L324 HydrophobicContact CG2-CD2 4.02Å; I315-L324 HydrophobicContact CG2-CG 4.34Å
316M87.7Confident90.3Very high36 Ų3653.1 Ų53.118%0.17727%0.265CS..Hα-helixtrans-61.3-35.9178.2-72-63.3-78.200112.8Y312 G313 D314 K321 L324Y312-M316 VanDerWaalsContact O-CG 3.28Å; Y312-M316 WeakPolarHBondContact O-CG 3.19Å; Y312-M316 PolarHBondContact O-N 3.28Å; G313-M316 PolarHBondContact O-N 3.08Å; D314-M316 VanDerWaalsContact C-N 3.34Å; D314-M316 PolarHBondContact O-N 3.34Å; M316-K321 HydrophobicContact CE-CD 4.46Å; M316-K321 HydrophobicContact SD-CG 4.14Å; M316-L324 HydrophobicContact CG-CD2 4.06Å; M316-L324 HydrophobicContact SD-CD2 3.54Å; M316-L324 VanDerWaalsContact SD-CD2 3.54Å
317K88.6Confident90.5Very high163 Ų16348.8 Ų48.871%0.70925%0.246SC*.Hα-helixtrans-74.6-36.8176.6-72.1170.1-173.4170.80113.4G313 D314 I315 G319G313-K317 VanDerWaalsContact O-CG 3.31Å; G313-K317 WeakPolarHBondContact O-CG 3.34Å; G313-K317 PolarHBondContact O-N 3.38Å; D314-K317 PolarHBondContact O-N 3.13Å; I315-K317 VanDerWaalsContact C-N 3.29Å; I315-K317 PolarHBondContact O-N 2.54Å; K317-G319 PolarHBondContact O-N 2.77Å
318R87.9Confident90.7Very high172 Ų17244.2 Ų44.265%0.64923%0.228SC*.Hα-helixtrans-68.7-14.2179.7-72.7-171-55.9-134.37113.7D314 I315D314-R318 WeakPolarHBondContact O-CG 3.29Å; D314-R318 PolarHBondContact O-N 2.96Å; I315-R318 PolarHBondContact O-N 3.29Å
319G78.7Confident91Very high55 Ų5543.8 Ų43.857%0.56723%0.226SC*.THydrogen-bonded Turntrans87.99.4-179.400000114.3I315 K317 K321I315-G319 PolarHBondContact O-N 3.29Å; K317-G319 PolarHBondContact O-N 2.77Å; G319-K321 PolarHBondContact O-N 3.44Å
320D84.8Confident91.1Very high58 Ų5843.8 Ų43.831%0.3123%0.226SC..  trans-82.937.5-179.5-161.112.9000112.6M239 I315 G322 T323 L324M239-D320 HydrophobicContact CE-CB 4.4Å; M239-D320 WeakPolarHBondContact CE-OD2 3.42Å; I315-D320 HydrophobicContact CG2-CB 4.2Å; I315-D320 PolarHBondContact O-N 2.62Å; D320-G322 VanDerWaalsContact C-N 3.31Å; D320-G322 PolarHBondContact O-N 2.72Å; D320-T323 PolarHBondContact O-N 2.91Å; D320-T323 WeakPolarHBondContact OD1-CB 3.44Å; D320-T323 PolarHBondContact OD1-OG1 3.43Å; D320-L324 PolarHBondContact O-N 3.2Å; D320-L324 VanDerWaalsContact O-N 3.13Å
321K87.8Confident91.1Very high97 Ų9739.2 Ų39.242%0.42221%0.205SC..Hα-helixtrans-65.9-33.7-172.8-62-174.5-179.6-1760112.2M316 G319 R325M316-K321 HydrophobicContact CE-CD 4.46Å; M316-K321 HydrophobicContact SD-CG 4.14Å; G319-K321 PolarHBondContact O-N 3.44Å; K321-R325 VanDerWaalsContact O-CB 3.29Å; K321-R325 WeakPolarHBondContact O-CB 3.38Å; K321-R325 PolarHBondContact O-N 3.05Å
322G90.6Very high91.3Very high44 Ų4436 Ų3645%0.45419%0.191SC..Hα-helixtrans-66.6-43.3179.200000112.8D320 T326D320-G322 VanDerWaalsContact C-N 3.31Å; D320-G322 PolarHBondContact O-N 2.72Å; G322-T326 WeakPolarHBondContact O-CB 3.22Å; G322-T326 PolarHBondContact O-N 2.61Å; G322-T326 PolarHBondContact O-OG1 2.6Å
323T94.2Very high91.4Very high27 Ų2735.9 Ų35.917%0.16619%0.19CC..Hα-helixtrans-67.8-43.8176.4-49.50000110.6D235 A236 M239 D320 R325 T326 M327D235-T323 HydrophobicContact CB-CG2 3.97Å; A236-T323 HydrophobicContact CB-CG2 4.34Å; M239-T323 HydrophobicContact CB-CG2 4.45Å; M239-T323 HydrophobicContact CE-CG2 3.57Å; M239-T323 HydrophobicContact SD-CG2 4.23Å; D320-T323 PolarHBondContact O-N 2.91Å; D320-T323 WeakPolarHBondContact OD1-CB 3.44Å; D320-T323 PolarHBondContact OD1-OG1 3.43Å; T323-R325 VanDerWaalsContact C-N 3.34Å; T323-R325 PolarHBondContact O-N 3.47Å; T323-T326 WeakPolarHBondContact O-CB 3.38Å; T323-T326 PolarHBondContact O-N 2.88Å; T323-M327 WeakPolarHBondContact O-CB 3.35Å; T323-M327 PolarHBondContact O-N 3.41Å
324L93.3Very high91.3Very high1 Ų136.2 Ų36.21%0.00519%0.192CC..Hα-helixtrans-58.4-45.6175.9-178.962.6000112.3L163 M239 Y312 I315 M316 D320 M327 I328L163-L324 HydrophobicContact CD1-CD2 4.02Å; M239-L324 HydrophobicContact SD-CB 4.05Å; M239-L324 HydrophobicContact SD-CD1 3.98Å; Y312-L324 HydrophobicContact CD1-CD1 3.7Å; Y312-L324 HydrophobicContact CD1-CD2 4.34Å; Y312-L324 HydrophobicContact CE1-CD1 3.62Å; I315-L324 HydrophobicContact CG2-CB 3.94Å; I315-L324 HydrophobicContact CG2-CD1 4.37Å; I315-L324 HydrophobicContact CG2-CD2 4.02Å; I315-L324 HydrophobicContact CG2-CG 4.34Å; M316-L324 HydrophobicContact CG-CD2 4.06Å; M316-L324 HydrophobicContact SD-CD2 3.54Å; M316-L324 VanDerWaalsContact SD-CD2 3.54Å; D320-L324 PolarHBondContact O-N 3.2Å; D320-L324 VanDerWaalsContact O-N 3.13Å; L324-M327 HydrophobicContact CD1-CE 3.67Å; L324-M327 WeakPolarHBondContact O-CB 3.38Å; L324-M327 PolarHBondContact O-N 2.75Å; L324-I328 HydrophobicContact CD1-CD1 4.27Å; L324-I328 HydrophobicContact CG-CD1 4.15Å; L324-I328 WeakPolarHBondContact O-CG1 3.1Å; L324-I328 PolarHBondContact O-N 2.6Å
325R93.6Very high91.1Very high8 Ų834.1 Ų34.13%0.0318%0.18CC..Hα-helixtrans-64-42.3177.2-178.7171.3175.3-95.75.1111.9F145 G146 G147 E159 V160 L166 K321 T323 M327 I328 I329F145-R325 PolarHBondContact O-NH2 3.05Å; G146-R325 PolarHBondContact O-NH2 3.06Å; G147-R325 PolarHBondContact O-NH2 3.43Å; E159-R325 VanDerWaalsContact CD-NH1 3.32Å; E159-R325 IonicContact OE1-CZ 3.05Å; E159-R325 IonicContact OE1-NH1 2.78Å; E159-R325 PolarHBondContact OE1-NH1 3.43Å; E159-R325 IonicContact OE1-NH2 3.37Å; E159-R325 IonicContact OE2-NH1 3.9Å; V160-R325 WeakPolarHBondContact O-CD 3.21Å; V160-R325 PolarHBondContact O-NE 3.29Å; L166-R325 HydrophobicContact CD2-CG 4.15Å; K321-R325 VanDerWaalsContact O-CB 3.29Å; K321-R325 WeakPolarHBondContact O-CB 3.38Å; K321-R325 PolarHBondContact O-N 3.05Å; T323-R325 VanDerWaalsContact C-N 3.34Å; T323-R325 PolarHBondContact O-N 3.47Å; R325-M327 VanDerWaalsContact C-N 3.28Å; R325-M327 PolarHBondContact O-N 2.96Å; R325-I328 PolarHBondContact O-N 2.81Å; R325-I329 HydrophobicContact CG-CD1 3.97Å; R325-I329 WeakPolarHBondContact O-CG1 3.14Å; R325-I329 PolarHBondContact O-N 2.64Å
326T95.5Very high91Very high11 Ų1134 Ų347%0.06718%0.18CC..Hα-helixtrans-59-42.7174.6-61.80000110.9W148 L150 I233 A236 G322 T323 I329 M330W148-T326 HydrophobicContact CZ2-CG2 3.96Å; L150-T326 HydrophobicContact CD1-CG2 3.74Å; I233-T326 HydrophobicContact CD1-CG2 4.06Å; A236-T326 HydrophobicContact CB-CG2 3.58Å; G322-T326 WeakPolarHBondContact O-CB 3.22Å; G322-T326 PolarHBondContact O-N 2.61Å; G322-T326 PolarHBondContact O-OG1 2.6Å; T323-T326 WeakPolarHBondContact O-CB 3.38Å; T323-T326 PolarHBondContact O-N 2.88Å; T326-I329 PolarHBondContact O-N 3.01Å; T326-M330 WeakPolarHBondContact O-CB 3.42Å; T326-M330 VanDerWaalsContact O-CG 3.3Å; T326-M330 WeakPolarHBondContact O-CG 3.48Å; T326-M330 PolarHBondContact O-N 3.35Å
327M94.9Very high90.9Very high0 Ų034.2 Ų34.20%018%0.182CC..Hα-helixtrans-60.6-45.6176.1-175.1-163.17700112.1A236 M239 M240 L243 Y312 T323 L324 R325 M330 E331A236-M327 HydrophobicContact CB-CB 4.16Å; M239-M327 HydrophobicContact CB-SD 4.24Å; M239-M327 HydrophobicContact CG-SD 3.82Å; M239-M327 HydrophobicContact SD-SD 4.16Å; M240-M327 VanDerWaalsContact CA-SD 3.57Å; M240-M327 HydrophobicContact CB-CG 3.83Å; M240-M327 HydrophobicContact CB-SD 3.9Å; L243-M327 HydrophobicContact CD1-CE 3.74Å; L243-M327 HydrophobicContact CD1-SD 3.69Å; Y312-M327 HydrophobicContact CE1-CE 3.86Å; Y312-M327 WeakPolarHBondContact OH-CE 3.39Å; T323-M327 WeakPolarHBondContact O-CB 3.35Å; T323-M327 PolarHBondContact O-N 3.41Å; L324-M327 HydrophobicContact CD1-CE 3.67Å; L324-M327 WeakPolarHBondContact O-CB 3.38Å; L324-M327 PolarHBondContact O-N 2.75Å; R325-M327 VanDerWaalsContact C-N 3.28Å; R325-M327 PolarHBondContact O-N 2.96Å; M327-M330 PolarHBondContact O-N 3.15Å; M327-E331 PolarHBondContact O-N 2.97Å
328I94.5Very high90.6Very high0 Ų030 Ų300%017%0.167CC..Hα-helixtrans-69-40.5-179.8-65.9170.3000111.4F145 L163 L166 F167 I170 L324 R325 M330 E331 F332F145-I328 HydrophobicContact CE1-CG2 3.98Å; L163-I328 HydrophobicContact CD1-CD1 4Å; L166-I328 HydrophobicContact CB-CD1 4.03Å; L166-I328 HydrophobicContact CB-CG2 4.27Å; L166-I328 HydrophobicContact CD1-CD1 3.99Å; F167-I328 HydrophobicContact CE1-CD1 4.49Å; F167-I328 HydrophobicContact CE2-CD1 4.46Å; F167-I328 HydrophobicContact CZ-CD1 4.21Å; I170-I328 HydrophobicContact CD1-CG2 3.57Å; I170-I328 HydrophobicContact CG1-CG2 4.44Å; L324-I328 HydrophobicContact CD1-CD1 4.27Å; L324-I328 HydrophobicContact CG-CD1 4.15Å; L324-I328 WeakPolarHBondContact O-CG1 3.1Å; L324-I328 PolarHBondContact O-N 2.6Å; R325-I328 PolarHBondContact O-N 2.81Å; I328-M330 VanDerWaalsContact C-N 3.28Å; I328-M330 PolarHBondContact O-N 2.97Å; I328-E331 WeakPolarHBondContact O-CB 3.27Å; I328-E331 PolarHBondContact O-N 2.87Å; I328-F332 PolarHBondContact O-N 3.2Å
329I95.8Very high90.4Very high0 Ų027.1 Ų27.10%016%0.161CC..Hα-helixtrans-61.4-41173.8-70169.3000110.6I141 F145 W148 R325 T326 F332 L333I141-I329 HydrophobicContact CD1-CG2 3.77Å; I141-I329 HydrophobicContact CG1-CG2 4.03Å; I141-I329 HydrophobicContact CG2-CD1 4.39Å; I141-I329 HydrophobicContact CG2-CG2 4.26Å; F145-I329 HydrophobicContact CB-CD1 4.13Å; F145-I329 HydrophobicContact CB-CG1 4.1Å; F145-I329 HydrophobicContact CD1-CG1 3.86Å; F145-I329 HydrophobicContact CD2-CG1 4.23Å; F145-I329 HydrophobicContact CE1-CG1 4.36Å; F145-I329 HydrophobicContact CG-CD1 4.37Å; F145-I329 HydrophobicContact CG-CG1 3.79Å; W148-I329 HydrophobicContact CB-CD1 4.21Å; W148-I329 HydrophobicContact CD2-CD1 4.31Å; W148-I329 HydrophobicContact CD2-CG2 3.92Å; W148-I329 HydrophobicContact CE3-CG2 3.78Å; W148-I329 HydrophobicContact CG-CD1 3.89Å; W148-I329 HydrophobicContact CH2-CG2 4.25Å; W148-I329 HydrophobicContact CZ2-CG2 4.34Å; W148-I329 HydrophobicContact CZ3-CG2 3.96Å; R325-I329 HydrophobicContact CG-CD1 3.97Å; R325-I329 WeakPolarHBondContact O-CG1 3.14Å; R325-I329 PolarHBondContact O-N 2.64Å; T326-I329 PolarHBondContact O-N 3.01Å; I329-F332 WeakPolarHBondContact O-CB 3.42Å; I329-F332 PolarHBondContact O-N 2.82Å; I329-L333 HydrophobicContact CG2-CD1 4.31Å; I329-L333 WeakPolarHBondContact O-CG 3.27Å; I329-L333 PolarHBondContact O-N 3.06Å
330M95.5Very high90.8Very high0 Ų025 Ų250%014%0.138CC..Hα-helixtrans-68.9-36.2176.7-76.9-60.6-61.700112.7W148 Y216 I219 A220 T326 M327 I328 F332 L333 V334W148-M330 HydrophobicContact CH2-CG 4.24Å; W148-M330 HydrophobicContact CH2-SD 3.64Å; W148-M330 HydrophobicContact CZ2-CG 4.32Å; W148-M330 HydrophobicContact CZ2-SD 4.28Å; Y216-M330 HydrophobicContact CD1-CE 3.7Å; Y216-M330 HydrophobicContact CD2-CE 3.87Å; Y216-M330 HydrophobicContact CE1-CB 4.16Å; Y216-M330 HydrophobicContact CE1-CE 3.71Å; Y216-M330 HydrophobicContact CE1-CG 3.9Å; Y216-M330 HydrophobicContact CE2-CB 3.56Å; Y216-M330 HydrophobicContact CE2-CE 3.9Å; Y216-M330 HydrophobicContact CE2-CG 4.21Å; Y216-M330 HydrophobicContact CG-CE 3.78Å; Y216-M330 WeakPolarHBondContact O-CE 3.49Å; Y216-M330 WeakPolarHBondContact OH-CB 3.16Å; Y216-M330 WeakPolarHBondContact OH-CG 3.36Å; I219-M330 HydrophobicContact CB-CE 4.28Å; I219-M330 HydrophobicContact CG2-CE 4.14Å; A220-M330 HydrophobicContact CB-CE 4.03Å; A220-M330 HydrophobicContact CB-SD 3.91Å; T326-M330 WeakPolarHBondContact O-CB 3.42Å; T326-M330 VanDerWaalsContact O-CG 3.3Å; T326-M330 WeakPolarHBondContact O-CG 3.48Å; T326-M330 PolarHBondContact O-N 3.35Å; M327-M330 PolarHBondContact O-N 3.15Å; I328-M330 VanDerWaalsContact C-N 3.28Å; I328-M330 PolarHBondContact O-N 2.97Å; M330-F332 VanDerWaalsContact C-N 3.35Å; M330-L333 PolarHBondContact O-N 3.13Å; M330-L333 HydrophobicContact SD-CD1 3.86Å; M330-V334 WeakPolarHBondContact O-CB 3.46Å; M330-V334 VanDerWaalsContact O-CG2 3.25Å; M330-V334 WeakPolarHBondContact O-CG2 3.46Å; M330-V334 PolarHBondContact O-N 3.4Å
331E92.8Very high91Very high3 Ų323.2 Ų23.21%0.01413%0.128CC..Hα-helixtrans-57.3-49.3170.4174.9-175.4163.500110.8I170 S177 H178 M327 I328 L333 V334 Q335I170-E331 HydrophobicContact CD1-CB 4.3Å; I170-E331 HydrophobicContact CD1-CG 4.04Å; S177-E331 WeakPolarHBondContact CA-OE1 3.28Å; S177-E331 VanDerWaalsContact CB-OE1 3.25Å; S177-E331 WeakPolarHBondContact CB-OE1 3.44Å; H178-E331 WeakPolarHBondContact CB-OE2 3.4Å; H178-E331 IonicContact CD2-OE1 3.94Å; H178-E331 IonicContact CD2-OE2 3.08Å; H178-E331 IonicContact CE1-OE2 3.02Å; H178-E331 IonicContact CG-OE1 3.57Å; H178-E331 IonicContact CG-OE2 3.94Å; H178-E331 PolarHBondContact N-OE1 2.95Å; H178-E331 IonicContact ND1-OE2 3.18Å; H178-E331 PolarHBondContact ND1-OE2 3.12Å; M327-E331 PolarHBondContact O-N 2.97Å; I328-E331 WeakPolarHBondContact O-CB 3.27Å; I328-E331 PolarHBondContact O-N 2.87Å; E331-L333 VanDerWaalsContact C-N 3.35Å; E331-L333 PolarHBondContact O-N 3.44Å; E331-V334 PolarHBondContact O-N 2.97Å; E331-Q335 WeakPolarHBondContact O-CG 3.42Å; E331-Q335 PolarHBondContact O-N 2.69Å
332F94.1Very high90.7Very high0 Ų020.5 Ų20.50%012%0.12CC..Hα-helixtrans-53.5-51.2174.1166.5-102000111.6L140 I141 L144 F145 I170 I328 I329 M330 V334 Q335 Q336 F465L140-F332 HydrophobicContact CB-CE1 4.4Å; L140-F332 HydrophobicContact CB-CZ 4.17Å; L140-F332 HydrophobicContact CD1-CZ 4.37Å; I141-F332 HydrophobicContact CG1-CD1 4.38Å; I141-F332 HydrophobicContact CG1-CE1 4.31Å; L144-F332 HydrophobicContact CD1-CE2 4.04Å; L144-F332 HydrophobicContact CD1-CZ 4.09Å; F145-F332 HydrophobicContact CE2-CB 4.1Å; F145-F332 AromaticContact CE2-CD1 3.98Å; F145-F332 HydrophobicContact CE2-CD1 3.98Å; F145-F332 HydrophobicContact CE2-CD2 4.33Å; F145-F332 AromaticContact CE2-CG 3.86Å; F145-F332 HydrophobicContact CE2-CG 3.86Å; F145-F332 HydrophobicContact CZ-CB 3.89Å; F145-F332 HydrophobicContact CZ-CG 4.1Å; I170-F332 HydrophobicContact CD1-CB 4.2Å; I170-F332 HydrophobicContact CG1-CB 4.15Å; I328-F332 PolarHBondContact O-N 3.2Å; I329-F332 WeakPolarHBondContact O-CB 3.42Å; I329-F332 PolarHBondContact O-N 2.82Å; M330-F332 VanDerWaalsContact C-N 3.35Å; F332-V334 PolarHBondContact O-N 2.78Å; F332-Q335 PolarHBondContact O-N 3.15Å; F332-Q336 HydrophobicContact CD1-CG 4.45Å; F332-Q336 HydrophobicContact CD2-CG 4.29Å; F332-Q336 HydrophobicContact CE1-CG 4.03Å; F332-Q336 HydrophobicContact CE2-CG 3.84Å; F332-Q336 HydrophobicContact CZ-CG 3.71Å; F332-Q336 VanDerWaalsContact O-CG 3.3Å; F332-Q336 WeakPolarHBondContact O-CG 3.44Å; F332-Q336 PolarHBondContact O-N 3.1Å; F332-Q336 PolarHBondContact O-NE2 2.96Å; F332-F465 HydrophobicContact CE2-CD2 4.4Å; F332-F465 AromaticContact CE2-CE2 3.93Å; F332-F465 HydrophobicContact CE2-CE2 3.93Å; F332-F465 HydrophobicContact CZ-CD2 4.42Å; F332-F465 HydrophobicContact CZ-CE2 4.12Å
333L94.1Very high90Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-60.8-44.2-179.8-75.2172.5000112.8Y137 I141 W148 I219 M223 I329 M330 E331 Q335 Q336 V337Y137-L333 HydrophobicContact CD2-CD2 4.34Å; Y137-L333 HydrophobicContact CG-CD2 4.06Å; I141-L333 HydrophobicContact CD1-CD1 3.99Å; I141-L333 HydrophobicContact CD1-CD2 3.92Å; I141-L333 HydrophobicContact CD1-CG 4.09Å; W148-L333 HydrophobicContact CH2-CD1 4.17Å; W148-L333 HydrophobicContact CZ3-CD1 3.81Å; I219-L333 HydrophobicContact CG2-CB 3.87Å; I219-L333 HydrophobicContact CG2-CD1 4.28Å; M223-L333 HydrophobicContact CG-CD1 3.9Å; M223-L333 HydrophobicContact CG-CD2 3.9Å; M223-L333 HydrophobicContact SD-CD2 4.09Å; I329-L333 HydrophobicContact CG2-CD1 4.31Å; I329-L333 WeakPolarHBondContact O-CG 3.27Å; I329-L333 PolarHBondContact O-N 3.06Å; M330-L333 PolarHBondContact O-N 3.13Å; M330-L333 HydrophobicContact SD-CD1 3.86Å; E331-L333 VanDerWaalsContact C-N 3.35Å; E331-L333 PolarHBondContact O-N 3.44Å; L333-Q335 VanDerWaalsContact C-N 3.34Å; L333-Q335 PolarHBondContact O-N 3.23Å; L333-Q336 PolarHBondContact O-N 2.97Å; L333-V337 WeakPolarHBondContact O-CG2 3.32Å; L333-V337 PolarHBondContact O-N 3.23Å
334V90.9Very high88.9Confident10 Ų1028 Ų286%0.06113%0.134CC..Hα-helixtrans-60.7-45.1177.4168.80000110.2F212 Y216 I219 M330 E331 F332 Q336 V337 L338F212-V334 HydrophobicContact CE2-CG1 4.2Å; F212-V334 HydrophobicContact CE2-CG2 4.49Å; F212-V334 HydrophobicContact CZ-CG1 4.18Å; F212-V334 HydrophobicContact CZ-CG2 4.29Å; Y216-V334 HydrophobicContact CD2-CG2 4.18Å; I219-V334 HydrophobicContact CD1-CG2 3.92Å; M330-V334 WeakPolarHBondContact O-CB 3.46Å; M330-V334 VanDerWaalsContact O-CG2 3.25Å; M330-V334 WeakPolarHBondContact O-CG2 3.46Å; M330-V334 PolarHBondContact O-N 3.4Å; E331-V334 PolarHBondContact O-N 2.97Å; F332-V334 PolarHBondContact O-N 2.78Å; V334-Q336 VanDerWaalsContact C-N 3.3Å; V334-Q336 PolarHBondContact O-N 3.18Å; V334-V337 PolarHBondContact O-N 2.87Å; V334-L338 HydrophobicContact CG1-CD1 3.7Å; V334-L338 HydrophobicContact CG1-CG 4.19Å; V334-L338 WeakPolarHBondContact O-CB 3.16Å; V334-L338 VanDerWaalsContact O-CG 3.31Å; V334-L338 WeakPolarHBondContact O-CG 3.27Å; V334-L338 PolarHBondContact O-N 2.91Å
335Q87.5Confident87.6Confident27 Ų2730.5 Ų30.513%0.12615%0.15CC..Hα-helixtrans-61-38.4175.8-69.1-171.520.100112.3T174 S176 E331 F332 L333 H339 R468T174-Q335 VanDerWaalsContact CG2-OE1 3.26Å; T174-Q335 PolarHBondContact OG1-OE1 2.68Å; S176-Q335 PolarHBondContact O-NE2 3.06Å; E331-Q335 WeakPolarHBondContact O-CG 3.42Å; E331-Q335 PolarHBondContact O-N 2.69Å; F332-Q335 PolarHBondContact O-N 3.15Å; L333-Q335 VanDerWaalsContact C-N 3.34Å; L333-Q335 PolarHBondContact O-N 3.23Å; Q335-H339 PolarHBondContact O-ND1 2.95Å; Q335-R468 PolarHBondContact O-NH1 2.83Å
336Q89.1Confident86.1Confident3 Ų333.2 Ų33.21%0.01417%0.165CC..Hα-helixtrans-64.6-49.5176.9-61.5-36.5-61.200111.5Y137 F332 L333 V334 A340 R468Y137-Q336 HydrophobicContact CD1-CB 4.37Å; Y137-Q336 HydrophobicContact CD1-CG 4.21Å; Y137-Q336 HydrophobicContact CE1-CB 3.61Å; Y137-Q336 HydrophobicContact CE1-CG 3.72Å; Y137-Q336 HydrophobicContact CE2-CB 4.36Å; F332-Q336 HydrophobicContact CD1-CG 4.45Å; F332-Q336 HydrophobicContact CD2-CG 4.29Å; F332-Q336 HydrophobicContact CE1-CG 4.03Å; F332-Q336 HydrophobicContact CE2-CG 3.84Å; F332-Q336 HydrophobicContact CZ-CG 3.71Å; F332-Q336 VanDerWaalsContact O-CG 3.3Å; F332-Q336 WeakPolarHBondContact O-CG 3.44Å; F332-Q336 PolarHBondContact O-N 3.1Å; F332-Q336 PolarHBondContact O-NE2 2.96Å; L333-Q336 PolarHBondContact O-N 2.97Å; V334-Q336 VanDerWaalsContact C-N 3.3Å; V334-Q336 PolarHBondContact O-N 3.18Å; Q336-A340 WeakPolarHBondContact O-CB 3.2Å; Q336-A340 PolarHBondContact O-N 3.44Å; Q336-R468 PolarHBondContact O-NH2 3.03Å
337V85.1Confident84.1Confident39 Ų3934.7 Ų34.724%0.23618%0.182CC..Hα-helixtrans-65.9-39.4-176.8171.30000112.6I219 L333 V334 H339 T342I219-V337 HydrophobicContact CD1-CB 4.23Å; I219-V337 HydrophobicContact CD1-CG1 4.18Å; I219-V337 HydrophobicContact CD1-CG2 4.28Å; I219-V337 HydrophobicContact CG1-CG1 4.47Å; I219-V337 HydrophobicContact CG1-CG2 4.32Å; L333-V337 WeakPolarHBondContact O-CG2 3.32Å; L333-V337 PolarHBondContact O-N 3.23Å; V334-V337 PolarHBondContact O-N 2.87Å; V337-H339 PolarHBondContact O-N 3.46Å; V337-T342 HydrophobicContact CG1-CG2 4.19Å
338L82.1Confident81.8Confident74 Ų7441.3 Ų41.339%0.38722%0.223SC..Hα-helixtrans-63-27.2-176.6-82.3174.1000114.6W206 V334W206-L338 HydrophobicContact CZ2-CD2 3.74Å; V334-L338 HydrophobicContact CG1-CD1 3.7Å; V334-L338 HydrophobicContact CG1-CG 4.19Å; V334-L338 WeakPolarHBondContact O-CB 3.16Å; V334-L338 VanDerWaalsContact O-CG 3.31Å; V334-L338 WeakPolarHBondContact O-CG 3.27Å; V334-L338 PolarHBondContact O-N 2.91Å
339H83Confident79.4Confident113 Ų11347.1 Ų47.152%0.52325%0.254SS..Hα-helixtrans-116-5.8-169.2-66.194.7000112.2Q335 V337 R468Q335-H339 PolarHBondContact O-ND1 2.95Å; V337-H339 PolarHBondContact O-N 3.46Å; H339-R468 PolarHBondContact O-NH2 2.87Å
340A88.7Confident76.7Confident9 Ų951.4 Ų51.47%0.07428%0.284CS..SBendtrans-105.3149.4178.800000107.9Q336 T342 E464 R468Q336-A340 WeakPolarHBondContact O-CB 3.2Å; Q336-A340 PolarHBondContact O-N 3.44Å; A340-T342 PolarHBondContact O-N 2.99Å; A340-E464 HydrophobicContact CB-CG 4.4Å; A340-R468 VanDerWaalsContact CB-NH2 3.33Å
341L88.9Confident74.1Confident21 Ų2157.6 Ų57.611%0.1132%0.317CS..  trans-64.8123.1173.5-61.3177.2000109.6L363 Q367 Y460L341-L363 HydrophobicContact CD1-CB 3.57Å; L341-L363 HydrophobicContact CD2-CB 3.95Å; L341-L363 HydrophobicContact CD2-CD1 4.28Å; L341-L363 HydrophobicContact CG-CB 4.43Å; L341-Q367 HydrophobicContact CD1-CG 3.61Å; L341-Q367 HydrophobicContact CD2-CG 4.43Å; L341-Q367 HydrophobicContact CG-CG 3.78Å; L341-Y460 HydrophobicContact CB-CE1 4.03Å; L341-Y460 PolarHBondContact N-OH 3.49Å
342T81.6Confident71.6Confident41 Ų4162.8 Ų62.825%0.25235%0.353SS..  trans-79.3155.9-178.673.30000110.3V337 A340 Y344 T345V337-T342 HydrophobicContact CG1-CG2 4.19Å; A340-T342 PolarHBondContact O-N 2.99Å; T342-Y344 PolarHBondContact O-N 3.49Å; T342-Y344 VanDerWaalsContact O-N 3.09Å; T342-T345 PolarHBondContact O-N 3.35Å; T342-T345 PolarHBondContact O-OG1 3.13Å
343F75.9Confident69.1Low49 Ų4968.7 Ų68.722%0.21539%0.385CS..G310 helixtrans-62-16.8176.461.3-91.7000113.4L130 T345 N346L130-F343 HydrophobicContact CB-CD1 4.2Å; L130-F343 HydrophobicContact CB-CD2 4.26Å; L130-F343 HydrophobicContact CB-CE1 4.4Å; L130-F343 HydrophobicContact CB-CE2 4.42Å; L130-F343 HydrophobicContact CB-CG 4.14Å; L130-F343 HydrophobicContact CB-CZ 4.49Å; L130-F343 HydrophobicContact CD1-CD1 4.16Å; L130-F343 HydrophobicContact CD1-CE1 3.65Å; L130-F343 HydrophobicContact CD1-CZ 3.87Å; F343-T345 VanDerWaalsContact C-N 3.3Å; F343-N346 WeakPolarHBondContact O-CB 3.4Å; F343-N346 PolarHBondContact O-N 2.05Å
344Y69.7Low66.9Low178 Ų17874.7 Ų74.770%0.69843%0.427SS*.G310 helixtrans-73.4-21.1172-63.1-70.9000113.4T342 N346T342-Y344 PolarHBondContact O-N 3.49Å; T342-Y344 VanDerWaalsContact O-N 3.09Å; Y344-N346 PolarHBondContact O-N 3.34Å
345T67.2Low65.2Low54 Ų5477.9 Ų77.933%0.33145%0.45SS..G310 helixtrans-842.8175.964.20000112.7T342 F343 G347 L363T342-T345 PolarHBondContact O-N 3.35Å; T342-T345 PolarHBondContact O-OG1 3.13Å; F343-T345 VanDerWaalsContact C-N 3.3Å; T345-G347 PolarHBondContact O-N 3.2Å; T345-L363 HydrophobicContact CG2-CD1 4.5Å
346N61.3Low64.3Low66 Ų6680.9 Ų80.935%0.35347%0.474SS..SBendtrans-66.8119.8173.4-147.821000109R128 F343 Y344R128-N346 PolarHBondContact NH2-OD1 3.05Å; F343-N346 WeakPolarHBondContact O-CB 3.4Å; F343-N346 PolarHBondContact O-N 2.05Å; Y344-N346 PolarHBondContact O-N 3.34Å
347G52.9Low63.6Low42 Ų4286.2 Ų86.243%0.43350%0.499SS..  trans-52.2144.7175.800000110.3T345 D349T345-G347 PolarHBondContact O-N 3.2Å; G347-D349 PolarHBondContact O-N 3.04Å
348T46.9Very low63.5Low139 Ų13984.4 Ų84.485%0.85349%0.488SS*.SBendtrans-62.9-5.5177.845.60000113.6S350T348-S350 PolarHBondContact O-N 3.3Å; T348-S350 PolarHBondContact O-OG 3.44Å
349D44.3Very low63.9Low121 Ų12184.8 Ų84.865%0.64749%0.488SS*.  trans-72.159.2169-81.9-26.1000112G347 N351G347-D349 PolarHBondContact O-N 3.04Å; D349-N351 PolarHBondContact O-N 3.4Å; D349-N351 VanDerWaalsContact O-N 3.09Å
350S39.1Very low64.3Low91 Ų9182.1 Ų82.164%0.63648%0.475SS*.  trans-69.315.3160.959.60000113.1T348 S352T348-S350 PolarHBondContact O-N 3.3Å; T348-S350 PolarHBondContact O-OG 3.44Å; S350-S352 PolarHBondContact O-N 3.37Å; S350-S352 PolarHBondContact O-OG 3.36Å; S350-S352 VanDerWaalsContact O-OG 3.08Å
351N40.1Very low64.5Low129 Ų12982.4 Ų82.469%0.6948%0.475SS*.  trans-6866.9163.8-83.6-17.1000109.2D349 N353D349-N351 PolarHBondContact O-N 3.4Å; D349-N351 VanDerWaalsContact O-N 3.09Å; N351-N353 PolarHBondContact O-N 2.97Å
352S41.9Very low64.7Low112 Ų11286.1 Ų86.178%0.78349%0.491SS*.  trans-67.854.7165.649.40000109.2S350 S354S350-S352 PolarHBondContact O-N 3.37Å; S350-S352 PolarHBondContact O-OG 3.36Å; S350-S352 VanDerWaalsContact O-OG 3.08Å; S352-S354 PolarHBondContact O-N 2.96Å
353N40Very low65.2Low125 Ų12587.8 Ų87.867%0.66850%0.499SS*.  trans-73.175.3168.6-85.5-12.2000108.2N351 S355N351-N353 PolarHBondContact O-N 2.97Å; N353-S355 PolarHBondContact O-N 3.33Å
354S48.4Very low66.2Low125 Ų12585.5 Ų85.587%0.87449%0.488SS*.SBendtrans42.71015159.60000120.2S352S352-S354 PolarHBondContact O-N 2.96Å
355S55.7Low67.5Low77 Ų7777 Ų7754%0.53846%0.455SS..  trans-84.4124.9179.260.40000108.3N353 Q357N353-S355 PolarHBondContact O-N 3.33Å; S355-Q357 PolarHBondContact O-N 3.39Å; S355-Q357 VanDerWaalsContact O-N 3.15Å; S355-Q357 PolarHBondContact OG-O 3.16Å
356S67.7Low68.8Low90 Ų9077.5 Ų77.563%0.62946%0.461SS*.SBendtrans-60.9-16.7171.251.40000113.1
357Q74.7Confident70.4Confident115 Ų11576 Ų7654%0.53745%0.452SS..SBendtrans-80.2128.4176-73.9-174.5-3000111.6S355S355-Q357 PolarHBondContact O-N 3.39Å; S355-Q357 VanDerWaalsContact O-N 3.15Å; S355-Q357 PolarHBondContact OG-O 3.16Å
358P83.6Confident72.6Confident2 Ų274 Ų741%0.01343%0.431CS..PPolyproline II helixtrans-73.4133.5177.531.1-34.3000111.2W99 A103 Y121 K122 V125 F126W99-P358 PolarHBondContact NE1-O 2.88Å; A103-P358 HydrophobicContact CB-CG 4.43Å; Y121-P358 HydrophobicContact CD1-CB 3.96Å; Y121-P358 HydrophobicContact CD1-CG 3.83Å; Y121-P358 HydrophobicContact CE1-CB 3.81Å; Y121-P358 HydrophobicContact CE1-CG 3.92Å; K122-P358 HydrophobicContact CG-CB 4.33Å; K122-P358 HydrophobicContact CG-CG 4Å; V125-P358 HydrophobicContact CB-CB 4.27Å; V125-P358 HydrophobicContact CG1-CB 4.17Å; V125-P358 HydrophobicContact CG2-CB 4.22Å; F126-P358 HydrophobicContact CE2-CB 4.02Å; F126-P358 HydrophobicContact CZ-CB 3.99Å
359H89.8Confident75Confident82 Ų8268.5 Ų68.538%0.3840%0.396SS..PPolyproline II helixtrans-68.4165.4173.167.7-93.2000111.4W99 Y121 V125 D361W99-H359 PolarHBondContact NE1-O 3.11Å; Y121-H359 PolarHBondContact OH-O 2.95Å; Y121-H359 VanDerWaalsContact OH-O 3.13Å; V125-H359 VanDerWaalsContact CG1-CE1 3.42Å; V125-H359 WeakPolarHBondContact CG1-CE1 3.42Å; V125-H359 WeakPolarHBondContact CG1-ND1 2.78Å; H359-D361 PolarHBondContact O-N 3.26Å
360F92.1Very high77.4Confident57 Ų5765.5 Ų65.525%0.2538%0.384CS..  trans-72.5109.9175.8179.7-93.4000110.4M92 N95 H96 W99 E362 I365M92-F360 HydrophobicContact SD-CZ 4.31Å; N95-F360 HydrophobicContact CB-CE2 4.24Å; N95-F360 HydrophobicContact CB-CZ 4.18Å; H96-F360 AromaticContact CE1-CE1 3.95Å; H96-F360 AromaticContact CE1-CZ 3.72Å; H96-F360 AromaticContact ND1-CE2 3.93Å; H96-F360 AromaticContact ND1-CZ 3.86Å; W99-F360 HydrophobicContact CB-CD2 3.58Å; W99-F360 HydrophobicContact CB-CE2 4.05Å; W99-F360 HydrophobicContact CD2-CB 4.01Å; W99-F360 AromaticContact CD2-CD2 3.97Å; W99-F360 HydrophobicContact CD2-CD2 3.97Å; W99-F360 HydrophobicContact CE3-CD2 4.39Å; W99-F360 HydrophobicContact CG-CB 4.17Å; W99-F360 AromaticContact CG-CD2 3.6Å; W99-F360 HydrophobicContact CG-CD2 3.6Å; W99-F360 HydrophobicContact CG-CG 4.38Å; W99-F360 HydrophobicContact CZ2-CB 4.41Å; F360-E362 HydrophobicContact CE1-CB 4.07Å; F360-E362 HydrophobicContact CZ-CB 4.38Å; F360-I365 HydrophobicContact CD2-CG1 4.49Å; F360-I365 HydrophobicContact CE2-CG1 4.13Å
361D92.9Very high80.1Confident15 Ų1561.4 Ų61.48%0.0836%0.356CS..  trans-114.8115.4168.1-176.9-57.3000109.6Y121 V125 R128 H359 L363 C364 I365Y121-D361 PolarHBondContact OH-N 2.68Å; Y121-D361 PolarHBondContact OH-O 2.55Å; V125-D361 HydrophobicContact CG2-CB 4.15Å; R128-D361 IonicContact CZ-OD2 3.78Å; R128-D361 IonicContact NH1-OD1 2.91Å; R128-D361 IonicContact NH1-OD2 3.31Å; R128-D361 PolarHBondContact NH1-OD2 2.94Å; R128-D361 IonicContact NH2-OD2 3.89Å; R128-D361 PolarHBondContact NH2-OD2 3.48Å; H359-D361 PolarHBondContact O-N 3.26Å; D361-L363 PolarHBondContact O-N 3.38Å; D361-L363 WeakPolarHBondContact OD1-CB 3.22Å; D361-L363 PolarHBondContact OD1-N 3.37Å; D361-C364 HydrophobicContact CB-CB 3.94Å; D361-C364 PolarHBondContact O-N 3.4Å; D361-C364 PolarHBondContact OD1-N 3.09Å; D361-I365 WeakPolarHBondContact O-CG1 3.28Å; D361-I365 PolarHBondContact O-N 3.25Å
362E92.1Very high82.8Confident98 Ų9855.4 Ų55.446%0.45832%0.324SS..Hα-helixtrans-63.1-41-175.9-175.3-177.516300112.5M92 F360 I365 S366M92-E362 VanDerWaalsContact CE-CD 3.47Å; M92-E362 HydrophobicContact CE-CG 3.85Å; M92-E362 WeakPolarHBondContact CE-OE1 3.24Å; M92-E362 HydrophobicContact SD-CG 3.96Å; F360-E362 HydrophobicContact CE1-CB 4.07Å; F360-E362 HydrophobicContact CZ-CB 4.38Å; E362-I365 PolarHBondContact O-N 2.63Å; E362-S366 PolarHBondContact O-N 3.34Å
363L93.1Very high85.4Confident77 Ų7751.1 Ų51.140%0.40329%0.293SS..Hα-helixtrans-67.5-41.5-179.6-63.9175.7000110.4L341 T345 D361 I365 S366 Q367L341-L363 HydrophobicContact CD1-CB 3.57Å; L341-L363 HydrophobicContact CD2-CB 3.95Å; L341-L363 HydrophobicContact CD2-CD1 4.28Å; L341-L363 HydrophobicContact CG-CB 4.43Å; T345-L363 HydrophobicContact CG2-CD1 4.5Å; D361-L363 PolarHBondContact O-N 3.38Å; D361-L363 WeakPolarHBondContact OD1-CB 3.22Å; D361-L363 PolarHBondContact OD1-N 3.37Å; L363-I365 VanDerWaalsContact C-N 3.31Å; L363-I365 PolarHBondContact O-N 3.31Å; L363-S366 WeakPolarHBondContact O-CB 3.19Å; L363-S366 PolarHBondContact O-N 3.37Å; L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.16Å
364C96.1Very high88Confident0 Ų045.6 Ų45.60%026%0.263CS..Hα-helixtrans-64.9-34174.1-70.40000112.2Y121 C124 V125 D361 Q367 L368Y121-C364 HydrophobicContact CD2-CB 3.91Å; Y121-C364 HydrophobicContact CE2-CB 3.51Å; C124-C364 HydrophobicContact CB-CB 3.77Å; C124-C364 WeakPolarHBondContact CB-SG 3.3Å; C124-C364 WeakPolarHBondContact SG-CA 3.42Å; C124-C364 WeakPolarHBondContact SG-CB 3.29Å; C124-C364 CovalentContact SG-SG 2.04Å; C124-C364 PolarHBondContact SG-SG 3.34Å; V125-C364 HydrophobicContact CG2-CB 4.24Å; D361-C364 HydrophobicContact CB-CB 3.94Å; D361-C364 PolarHBondContact O-N 3.4Å; D361-C364 PolarHBondContact OD1-N 3.09Å; C364-Q367 PolarHBondContact O-N 3.41Å; C364-L368 VanDerWaalsContact O-CB 3.28Å; C364-L368 WeakPolarHBondContact O-CB 3.43Å; C364-L368 PolarHBondContact O-N 3.03Å
365I97.2Very high90.3Very high0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-67.4-40.5173.4-69.5-65.1000110.8N95 W99 Y121 F360 D361 E362 L363 L368 Q369N95-I365 HydrophobicContact CB-CG2 3.67Å; W99-I365 HydrophobicContact CB-CD1 3.77Å; W99-I365 HydrophobicContact CB-CG1 4.31Å; Y121-I365 HydrophobicContact CD2-CD1 3.94Å; Y121-I365 HydrophobicContact CE2-CB 4.45Å; Y121-I365 HydrophobicContact CE2-CD1 3.31Å; Y121-I365 HydrophobicContact CE2-CG1 3.61Å; F360-I365 HydrophobicContact CD2-CG1 4.49Å; F360-I365 HydrophobicContact CE2-CG1 4.13Å; D361-I365 WeakPolarHBondContact O-CG1 3.28Å; D361-I365 PolarHBondContact O-N 3.25Å; E362-I365 PolarHBondContact O-N 2.63Å; L363-I365 VanDerWaalsContact C-N 3.31Å; L363-I365 PolarHBondContact O-N 3.31Å; I365-L368 HydrophobicContact CD1-CD2 4.17Å; I365-L368 WeakPolarHBondContact O-CB 3.3Å; I365-L368 PolarHBondContact O-N 2.98Å; I365-Q369 HydrophobicContact CG2-CG 4.44Å; I365-Q369 WeakPolarHBondContact O-CG 3.45Å; I365-Q369 PolarHBondContact O-N 2.99Å
366S95.2Very high92.2Very high64 Ų6436.1 Ų36.145%0.44820%0.197SC..Hα-helixtrans-60.6-45174.6-178.10000111.7E362 L363 L368 Q369 S370E362-S366 PolarHBondContact O-N 3.34Å; L363-S366 WeakPolarHBondContact O-CB 3.19Å; L363-S366 PolarHBondContact O-N 3.37Å; S366-L368 VanDerWaalsContact C-N 3.34Å; S366-L368 PolarHBondContact O-N 2.96Å; S366-Q369 PolarHBondContact O-N 3.45Å; S366-S370 WeakPolarHBondContact O-CB 3.41Å; S366-S370 PolarHBondContact O-N 3.09Å
367Q95.5Very high93.6Very high36 Ų3632 Ų3217%0.16817%0.167CC..Hα-helixtrans-63.1-40.3174.5-69.2-63.4-8.100112.2F120 L341 L363 C364 S370 A371F120-Q367 HydrophobicContact CE1-CB 4.06Å; F120-Q367 HydrophobicContact CZ-CB 4.02Å; L341-Q367 HydrophobicContact CD1-CG 3.61Å; L341-Q367 HydrophobicContact CD2-CG 4.43Å; L341-Q367 HydrophobicContact CG-CG 3.78Å; L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.16Å; C364-Q367 PolarHBondContact O-N 3.41Å; Q367-S370 WeakPolarHBondContact O-CB 3.2Å; Q367-S370 PolarHBondContact O-N 2.81Å; Q367-A371 VanDerWaalsContact O-CB 3.26Å; Q367-A371 WeakPolarHBondContact O-CB 3.37Å; Q367-A371 PolarHBondContact O-N 3.32Å
368L97.5Very high94.6Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-61.4-45.7176.5178.376.3000111.5I102 A117 F120 Y121 C364 I365 S366 S370 A371 F372 L376I102-L368 HydrophobicContact CD1-CD1 4.33Å; I102-L368 HydrophobicContact CD1-CD2 3.89Å; I102-L368 HydrophobicContact CG1-CD2 3.63Å; A117-L368 HydrophobicContact CB-CD1 3.93Å; A117-L368 VanDerWaalsContact O-CD1 3.28Å; A117-L368 WeakPolarHBondContact O-CD1 3.37Å; F120-L368 HydrophobicContact CD1-CB 4.33Å; F120-L368 HydrophobicContact CD1-CD1 3.82Å; F120-L368 HydrophobicContact CE1-CB 4.29Å; Y121-L368 HydrophobicContact CD2-CB 4.36Å; Y121-L368 HydrophobicContact CD2-CD2 4.24Å; C364-L368 VanDerWaalsContact O-CB 3.28Å; C364-L368 WeakPolarHBondContact O-CB 3.43Å; C364-L368 PolarHBondContact O-N 3.03Å; I365-L368 HydrophobicContact CD1-CD2 4.17Å; I365-L368 WeakPolarHBondContact O-CB 3.3Å; I365-L368 PolarHBondContact O-N 2.98Å; S366-L368 VanDerWaalsContact C-N 3.34Å; S366-L368 PolarHBondContact O-N 2.96Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 2.87Å; L368-A371 PolarHBondContact O-N 3.15Å; L368-A371 VanDerWaalsContact O-N 3.16Å; L368-F372 HydrophobicContact CD1-CD2 4.03Å; L368-F372 PolarHBondContact O-N 3.44Å; L368-L376 HydrophobicContact CD2-CD1 4.37Å; L368-L376 HydrophobicContact CD2-CD2 4.33Å; L368-L376 HydrophobicContact CG-CD1 4.17Å
369Q97.3Very high95.2Very high22 Ų2227 Ų2710%0.10314%0.143CC..Hα-helixtrans-59.4-39.3175.5-76.1174-23.800112.2N95 F98 I365 S366 P373 L376 F493N95-Q369 PolarHBondContact OD1-NE2 3.42Å; N95-Q369 PolarHBondContact OD1-OE1 2.97Å; F98-Q369 HydrophobicContact CD2-CG 3.98Å; F98-Q369 HydrophobicContact CE2-CG 4.11Å; F98-Q369 VanDerWaalsContact CE2-NE2 3.3Å; I365-Q369 HydrophobicContact CG2-CG 4.44Å; I365-Q369 WeakPolarHBondContact O-CG 3.45Å; I365-Q369 PolarHBondContact O-N 2.99Å; S366-Q369 PolarHBondContact O-N 3.45Å; Q369-P373 WeakPolarHBondContact O-CA 3.29Å; Q369-P373 WeakPolarHBondContact O-CB 3.5Å; Q369-L376 HydrophobicContact CB-CD1 4.34Å; Q369-L376 HydrophobicContact CG-CD1 3.89Å; Q369-F493 HydrophobicContact CB-CE2 4.06Å; Q369-F493 HydrophobicContact CB-CZ 4.18Å; Q369-F493 HydrophobicContact CG-CE2 3.86Å; Q369-F493 HydrophobicContact CG-CZ 4.18Å
370S94.7Very high95.5Very high58 Ų5823.1 Ų23.141%0.40613%0.125SC..Hα-helixtrans-69.6-37.2176.1-165.60000111.9S366 Q367 L368 K471S366-S370 WeakPolarHBondContact O-CB 3.41Å; S366-S370 PolarHBondContact O-N 3.09Å; Q367-S370 WeakPolarHBondContact O-CB 3.2Å; Q367-S370 PolarHBondContact O-N 2.81Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 2.87Å; S370-K471 VanDerWaalsContact C-NZ 3.27Å; S370-K471 WeakPolarHBondContact O-CE 3.3Å; S370-K471 PolarHBondContact O-NZ 3.27Å; S370-K471 PolarHBondContact OG-NZ 3.43Å
371A95.9Very high95.7Very high5 Ų520.5 Ų20.54%0.04111%0.114CC..Hα-helixtrans-81.5-39.8-17400000113.9F120 Q367 L368 P373 I467F120-A371 HydrophobicContact CD1-CB 4.28Å; F120-A371 HydrophobicContact CE1-CB 3.93Å; F120-A371 HydrophobicContact CZ-CB 4.14Å; Q367-A371 VanDerWaalsContact O-CB 3.26Å; Q367-A371 WeakPolarHBondContact O-CB 3.37Å; Q367-A371 PolarHBondContact O-N 3.32Å; L368-A371 PolarHBondContact O-N 3.15Å; L368-A371 VanDerWaalsContact O-N 3.16Å; A371-P373 WeakPolarHBondContact O-CD 3.33Å; A371-I467 HydrophobicContact CB-CD1 3.57Å; A371-I467 HydrophobicContact CB-CG1 4.07Å; A371-I467 HydrophobicContact CB-CG2 3.82Å
372F96.9Very high95.7Very high3 Ų325.4 Ų25.41%0.01313%0.131CC..SBendtrans-125.149.3-175.6-62.6-88.4000112.4N116 A117 F120 L368 W374 T375 L376 V450 M455 I467N116-F372 HydrophobicContact CB-CE1 4.29Å; A117-F372 HydrophobicContact CB-CB 4.09Å; A117-F372 HydrophobicContact CB-CD1 4.07Å; A117-F372 HydrophobicContact CB-CD2 3.96Å; A117-F372 HydrophobicContact CB-CE2 4.48Å; A117-F372 HydrophobicContact CB-CG 3.75Å; F120-F372 HydrophobicContact CB-CE2 3.65Å; F120-F372 HydrophobicContact CB-CZ 4.33Å; F120-F372 HydrophobicContact CD1-CD2 4.3Å; F120-F372 AromaticContact CD1-CE2 4Å; F120-F372 HydrophobicContact CD1-CE2 4Å; F120-F372 AromaticContact CG-CE2 3.8Å; F120-F372 HydrophobicContact CG-CE2 3.8Å; L368-F372 HydrophobicContact CD1-CD2 4.03Å; L368-F372 PolarHBondContact O-N 3.44Å; F372-W374 VanDerWaalsContact C-N 3.3Å; F372-W374 PolarHBondContact O-N 3.47Å; F372-T375 PolarHBondContact O-N 3.37Å; F372-L376 VanDerWaalsContact O-CG 3.31Å; F372-L376 WeakPolarHBondContact O-CG 3.49Å; F372-L376 PolarHBondContact O-N 3.31Å; F372-L376 VanDerWaalsContact O-N 3.1Å; F372-V450 HydrophobicContact CD1-CG1 4.32Å; F372-V450 HydrophobicContact CE1-CG1 4.15Å; F372-V450 HydrophobicContact CE1-CG2 3.96Å; F372-V450 HydrophobicContact CZ-CG2 3.99Å; F372-M455 HydrophobicContact CE2-CG 4.35Å; F372-M455 HydrophobicContact CE2-SD 4.43Å; F372-M455 HydrophobicContact CZ-CG 3.64Å; F372-M455 HydrophobicContact CZ-SD 3.98Å; F372-I467 HydrophobicContact CE2-CD1 4.29Å
373P96.4Very high95.8Very high22 Ų2223.5 Ų23.514%0.14313%0.129CC..Hα-helixtrans-59.2-41.7-173.223.9-33.5000111.9Q369 A371 L376 E377 P491 F493Q369-P373 WeakPolarHBondContact O-CA 3.29Å; Q369-P373 WeakPolarHBondContact O-CB 3.5Å; A371-P373 WeakPolarHBondContact O-CD 3.33Å; P373-L376 PolarHBondContact O-N 3.13Å; P373-E377 WeakPolarHBondContact O-CB 3.45Å; P373-E377 PolarHBondContact O-N 3.22Å; P373-P491 HydrophobicContact CB-CB 4.08Å; P373-P491 HydrophobicContact CB-CG 3.97Å; P373-F493 HydrophobicContact CB-CZ 4.46Å; P373-F493 WeakPolarHBondContact O-CE1 3.48Å
374W95.8Very high95.8Very high10 Ų1022.7 Ų22.74%0.03812%0.123CC..Hα-helixtrans-74.6-36.1-174.3-49.5124.8000113.2F372 E377 R378 K444 E445 P487 E489 P491F372-W374 VanDerWaalsContact C-N 3.3Å; F372-W374 PolarHBondContact O-N 3.47Å; W374-E377 PolarHBondContact O-N 3.46Å; W374-R378 WeakPolarHBondContact O-CG 3.47Å; W374-R378 PolarHBondContact O-N 3.1Å; W374-R378 VanDerWaalsContact O-N 3.1Å; W374-K444 HydrophobicContact CB-CB 4.33Å; W374-K444 HydrophobicContact CD2-CB 3.61Å; W374-K444 HydrophobicContact CD2-CD 3.91Å; W374-K444 HydrophobicContact CD2-CG 4.4Å; W374-K444 HydrophobicContact CE3-CB 3.99Å; W374-K444 HydrophobicContact CE3-CD 3.53Å; W374-K444 HydrophobicContact CE3-CG 4.44Å; W374-K444 HydrophobicContact CG-CB 3.72Å; W374-K444 HydrophobicContact CH2-CD 3.69Å; W374-K444 HydrophobicContact CZ2-CD 4.02Å; W374-K444 HydrophobicContact CZ3-CD 3.43Å; W374-K444 VanDerWaalsContact CZ3-CD 3.43Å; W374-E445 HydrophobicContact CB-CB 3.69Å; W374-E445 HydrophobicContact CB-CG 4.28Å; W374-P487 VanDerWaalsContact CZ2-O 3.28Å; W374-P487 WeakPolarHBondContact CZ2-O 3.43Å; W374-E489 HydrophobicContact CH2-CB 4.28Å; W374-E489 WeakPolarHBondContact CH2-O 3.13Å; W374-P491 HydrophobicContact CZ3-CB 4.31Å
375T95.5Very high95.8Very high3 Ų323.2 Ų23.22%0.01813%0.126CC..Hα-helixtrans-61-50.5171.5-51.90000110.8H113 L114 F372 E377 R378 H379 E445H113-T375 HydrophobicContact CB-CG2 3.95Å; L114-T375 HydrophobicContact CB-CG2 4.3Å; L114-T375 HydrophobicContact CD1-CG2 4.42Å; F372-T375 PolarHBondContact O-N 3.37Å; T375-E377 VanDerWaalsContact C-N 3.34Å; T375-E377 PolarHBondContact O-N 2.95Å; T375-R378 PolarHBondContact O-N 3.34Å; T375-H379 PolarHBondContact O-CD2 3.23Å; T375-H379 PolarHBondContact O-N 3.2Å; T375-E445 WeakPolarHBondContact CA-OE1 3.28Å; T375-E445 WeakPolarHBondContact CB-OE1 3.09Å; T375-E445 PolarHBondContact OG1-OE1 3.03Å
376L97.1Very high95.7Very high0 Ų026.5 Ų26.50%014%0.144CC..Hα-helixtrans-64.5-38.7179-65.6-179.6000112.3F98 I101 L368 Q369 F372 P373 H379 Y380 F493F98-L376 HydrophobicContact CD1-CB 4.05Å; F98-L376 HydrophobicContact CD1-CD1 4.33Å; F98-L376 HydrophobicContact CD1-CD2 3.72Å; F98-L376 HydrophobicContact CD1-CG 4.24Å; F98-L376 HydrophobicContact CD2-CD1 4.4Å; F98-L376 HydrophobicContact CE1-CB 3.61Å; F98-L376 HydrophobicContact CE1-CD1 4.48Å; F98-L376 HydrophobicContact CE1-CD2 4.18Å; F98-L376 HydrophobicContact CE1-CG 4.3Å; F98-L376 HydrophobicContact CG-CD1 4.29Å; F98-L376 HydrophobicContact CG-CD2 4.22Å; F98-L376 HydrophobicContact CZ-CB 3.91Å; I101-L376 HydrophobicContact CD1-CD2 4.43Å; L368-L376 HydrophobicContact CD2-CD1 4.37Å; L368-L376 HydrophobicContact CD2-CD2 4.33Å; L368-L376 HydrophobicContact CG-CD1 4.17Å; Q369-L376 HydrophobicContact CB-CD1 4.34Å; Q369-L376 HydrophobicContact CG-CD1 3.89Å; F372-L376 VanDerWaalsContact O-CG 3.31Å; F372-L376 WeakPolarHBondContact O-CG 3.49Å; F372-L376 PolarHBondContact O-N 3.31Å; F372-L376 VanDerWaalsContact O-N 3.1Å; P373-L376 PolarHBondContact O-N 3.13Å; L376-H379 PolarHBondContact O-N 2.92Å; L376-Y380 WeakPolarHBondContact O-CB 3.42Å; L376-Y380 PolarHBondContact O-N 3.43Å; L376-F493 HydrophobicContact CB-CE1 3.93Å; L376-F493 HydrophobicContact CB-CZ 4.49Å
377E97Very high95.7Very high2 Ų228.5 Ų28.51%0.00915%0.146CC..Hα-helixtrans-58.7-46.7176.3174.9168.3114.200112.1P373 W374 T375 H379 Y380 I381 S441 P491 I492 F493P373-E377 WeakPolarHBondContact O-CB 3.45Å; P373-E377 PolarHBondContact O-N 3.22Å; W374-E377 PolarHBondContact O-N 3.46Å; T375-E377 VanDerWaalsContact C-N 3.34Å; T375-E377 PolarHBondContact O-N 2.95Å; E377-H379 VanDerWaalsContact C-N 3.29Å; E377-H379 PolarHBondContact O-N 3.23Å; E377-Y380 PolarHBondContact O-N 3.04Å; E377-Y380 VanDerWaalsContact O-N 3.11Å; E377-I381 HydrophobicContact CG-CD1 3.81Å; E377-I381 HydrophobicContact CG-CG1 4.26Å; E377-I381 WeakPolarHBondContact O-CG1 3.42Å; E377-I381 PolarHBondContact O-N 3.46Å; E377-S441 WeakPolarHBondContact OE1-CB 3.38Å; E377-S441 PolarHBondContact OE1-OG 2.66Å; E377-P491 VanDerWaalsContact OE2-CA 3.29Å; E377-P491 WeakPolarHBondContact OE2-CA 3.49Å; E377-I492 HydrophobicContact CG-CD1 4.21Å; E377-I492 HydrophobicContact CG-CG1 3.57Å; E377-I492 VanDerWaalsContact OE2-CG1 3.31Å; E377-I492 WeakPolarHBondContact OE2-CG1 3.48Å; E377-I492 PolarHBondContact OE2-N 3.35Å; E377-F493 HydrophobicContact CB-CD1 4.16Å; E377-F493 HydrophobicContact CB-CE1 4.26Å
378R95.7Very high95.6Very high14 Ų1431.8 Ų31.85%0.05317%0.168CC..Hα-helixtrans-55.8-45177.7-72.9-169.5-57.9130.89.8112D111 W374 T375 R382 Q442 E445D111-R378 IonicContact OD1-NH2 3.25Å; D111-R378 IonicContact OD2-CZ 2.67Å; D111-R378 IonicContact OD2-NH1 2.64Å; D111-R378 IonicContact OD2-NH2 3.18Å; D111-R378 PolarHBondContact OD2-NH2 3.48Å; W374-R378 WeakPolarHBondContact O-CG 3.47Å; W374-R378 PolarHBondContact O-N 3.1Å; W374-R378 VanDerWaalsContact O-N 3.1Å; T375-R378 PolarHBondContact O-N 3.34Å; R378-R382 WeakPolarHBondContact O-CG 3.34Å; R378-R382 PolarHBondContact O-N 3.47Å; R378-Q442 VanDerWaalsContact CZ-OE1 3.27Å; R378-E445 IonicContact CZ-OE1 2.93Å; R378-E445 IonicContact CZ-OE2 2.65Å; R378-E445 VanDerWaalsContact NE-CD 3.27Å; R378-E445 IonicContact NE-OE1 3.61Å; R378-E445 PolarHBondContact NE-OE1 3.29Å; R378-E445 IonicContact NE-OE2 3.93Å; R378-E445 PolarHBondContact NE-OE2 2.97Å; R378-E445 IonicContact NH1-OE2 3.64Å; R378-E445 VanDerWaalsContact NH2-CD 3.3Å; R378-E445 IonicContact NH2-OE1 2.68Å; R378-E445 PolarHBondContact NH2-OE1 3.38Å; R378-E445 IonicContact NH2-OE2 3.79Å; R378-E445 PolarHBondContact NH2-OE2 3.25Å
379H95.6Very high95.5Very high0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-71.4-36.3177.5-66.8-71.3000112.4Y97 I101 Y107 D111 T375 L376 E377 S383Y97-H379 PolarHBondContact OH-O 2.98Å; I101-H379 HydrophobicContact CD1-CB 3.97Å; Y107-H379 AromaticContact CE1-ND1 3.68Å; D111-H379 IonicContact OD2-CE1 2.67Å; D111-H379 IonicContact OD2-NE2 3.78Å; T375-H379 PolarHBondContact O-CD2 3.23Å; T375-H379 PolarHBondContact O-N 3.2Å; L376-H379 PolarHBondContact O-N 2.92Å; E377-H379 VanDerWaalsContact C-N 3.29Å; E377-H379 PolarHBondContact O-N 3.23Å; H379-S383 PolarHBondContact O-N 3.25Å; H379-S383 PolarHBondContact O-OG 3.41Å
380Y96.7Very high95.5Very high0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-63.8-46177.6-170.5-87.5000111.5T94 Y97 F98 L376 E377 R382 S383 H384 I492 F493 A510T94-Y380 HydrophobicContact CG2-CD2 4.33Å; T94-Y380 HydrophobicContact CG2-CE2 3.87Å; Y97-Y380 AromaticContact CD1-CD2 3.93Å; Y97-Y380 HydrophobicContact CD1-CD2 3.93Å; Y97-Y380 HydrophobicContact CE1-CD2 4.03Å; F98-Y380 HydrophobicContact CE1-CD2 4.12Å; F98-Y380 AromaticContact CZ-CD2 3.78Å; F98-Y380 HydrophobicContact CZ-CD2 3.78Å; F98-Y380 HydrophobicContact CZ-CG 4.28Å; L376-Y380 WeakPolarHBondContact O-CB 3.42Å; L376-Y380 PolarHBondContact O-N 3.43Å; E377-Y380 PolarHBondContact O-N 3.04Å; E377-Y380 VanDerWaalsContact O-N 3.11Å; Y380-R382 PolarHBondContact O-N 2.99Å; Y380-S383 PolarHBondContact O-N 3.42Å; Y380-S383 PolarHBondContact O-OG 2.96Å; Y380-S383 VanDerWaalsContact O-OG 3.06Å; Y380-H384 HydrophobicContact CD1-CB 4.17Å; Y380-H384 AromaticContact CD2-CE1 3.8Å; Y380-H384 AromaticContact CD2-ND1 3.68Å; Y380-H384 HydrophobicContact CE1-CB 3.78Å; Y380-H384 AromaticContact CE1-CG 3.92Å; Y380-H384 AromaticContact CE2-CD2 3.72Å; Y380-H384 AromaticContact CE2-CE1 3.76Å; Y380-H384 AromaticContact CE2-CG 3.75Å; Y380-H384 AromaticContact CE2-ND1 3.76Å; Y380-H384 AromaticContact CE2-NE2 3.74Å; Y380-H384 AromaticContact CG-ND1 3.95Å; Y380-H384 AromaticContact CZ-CD2 3.73Å; Y380-H384 AromaticContact CZ-CG 3.66Å; Y380-H384 WeakPolarHBondContact O-CB 3.14Å; Y380-H384 PolarHBondContact O-N 3.32Å; Y380-H384 PolarHBondContact O-ND1 3.44Å; Y380-I492 HydrophobicContact CD1-CD1 3.8Å; Y380-I492 HydrophobicContact CE1-CD1 4.37Å; Y380-F493 HydrophobicContact CD1-CB 3.83Å; Y380-F493 HydrophobicContact CD2-CB 3.76Å; Y380-F493 HydrophobicContact CE1-CB 4.1Å; Y380-F493 HydrophobicContact CE2-CB 4.03Å; Y380-F493 HydrophobicContact CG-CB 3.66Å; Y380-A510 HydrophobicContact CD1-CB 4.31Å; Y380-A510 HydrophobicContact CE1-CB 3.79Å; Y380-A510 PolarHBondContact OH-O 2.79Å
381I95.6Very high95.6Very high2 Ų233.8 Ų33.81%0.0118%0.176CC..Hα-helixtrans-55.5-53.1177.8-68.1170.5000110E377 S383 H384 V385 Y435 Q438 S441 I492E377-I381 HydrophobicContact CG-CD1 3.81Å; E377-I381 HydrophobicContact CG-CG1 4.26Å; E377-I381 WeakPolarHBondContact O-CG1 3.42Å; E377-I381 PolarHBondContact O-N 3.46Å; I381-S383 PolarHBondContact O-N 3.5Å; I381-S383 VanDerWaalsContact O-N 3.11Å; I381-H384 PolarHBondContact O-N 3.44Å; I381-V385 HydrophobicContact CB-CG2 4.4Å; I381-V385 HydrophobicContact CG2-CG2 4.2Å; I381-V385 PolarHBondContact O-N 3.17Å; I381-V385 VanDerWaalsContact O-N 3.17Å; I381-Y435 HydrophobicContact CD1-CD2 4.37Å; I381-Y435 HydrophobicContact CD1-CG 4.3Å; I381-Y435 HydrophobicContact CG1-CG 4.35Å; I381-Y435 HydrophobicContact CG2-CD1 4.43Å; I381-Y435 HydrophobicContact CG2-CD2 3.98Å; I381-Y435 HydrophobicContact CG2-CE2 4.18Å; I381-Y435 HydrophobicContact CG2-CG 4.13Å; I381-Q438 HydrophobicContact CG2-CG 4.07Å; I381-S441 WeakPolarHBondContact CD1-OG 3.41Å; I381-I492 HydrophobicContact CD1-CD1 4.32Å; I381-I492 HydrophobicContact CD1-CG1 4.36Å; I381-I492 HydrophobicContact CG1-CD1 3.65Å; I381-I492 HydrophobicContact CG1-CG1 4.21Å
382R93.7Very high95.6Very high117 Ų11735.5 Ų35.544%0.44218%0.183SC..Hα-helixtrans-56.9-29.2-177.6-74.2174.2178.6174.35114.3E108 R378 Y380 Q438E108-R382 IonicContact OE1-NH1 3.45Å; R378-R382 WeakPolarHBondContact O-CG 3.34Å; R378-R382 PolarHBondContact O-N 3.47Å; Y380-R382 PolarHBondContact O-N 2.99Å; R382-Q438 VanDerWaalsContact CG-NE2 3.34Å; R382-Q438 VanDerWaalsContact NE-OE1 3.14Å
383S92.7Very high95.7Very high59 Ų5935.4 Ų35.441%0.41318%0.182SC..Hα-helixtrans-101.8-23.8-172.549.50000114.4Y97 H379 Y380 I381Y97-S383 PolarHBondContact OH-OG 3.46Å; H379-S383 PolarHBondContact O-N 3.25Å; H379-S383 PolarHBondContact O-OG 3.41Å; Y380-S383 PolarHBondContact O-N 3.42Å; Y380-S383 PolarHBondContact O-OG 2.96Å; Y380-S383 VanDerWaalsContact O-OG 3.06Å; I381-S383 PolarHBondContact O-N 3.5Å; I381-S383 VanDerWaalsContact O-N 3.11Å
384H94.2Very high95.8Very high60 Ų6036.9 Ų36.928%0.27819%0.189SC..Hα-helixtrans-116.3-27.1-170.6-65.271.7000114Y97 Y380 I381Y97-H384 AromaticContact CD1-CE1 3.59Å; Y97-H384 AromaticContact CD2-CE1 3.58Å; Y97-H384 AromaticContact CE1-CE1 3.75Å; Y97-H384 AromaticContact CE2-CE1 3.74Å; Y97-H384 AromaticContact CG-CE1 3.5Å; Y97-H384 VanDerWaalsContact CG-CE1 3.5Å; Y97-H384 AromaticContact CZ-CE1 3.83Å; Y380-H384 HydrophobicContact CD1-CB 4.17Å; Y380-H384 AromaticContact CD2-CE1 3.8Å; Y380-H384 AromaticContact CD2-ND1 3.68Å; Y380-H384 HydrophobicContact CE1-CB 3.78Å; Y380-H384 AromaticContact CE1-CG 3.92Å; Y380-H384 AromaticContact CE2-CD2 3.72Å; Y380-H384 AromaticContact CE2-CE1 3.76Å; Y380-H384 AromaticContact CE2-CG 3.75Å; Y380-H384 AromaticContact CE2-ND1 3.76Å; Y380-H384 AromaticContact CE2-NE2 3.74Å; Y380-H384 AromaticContact CG-ND1 3.95Å; Y380-H384 AromaticContact CZ-CD2 3.73Å; Y380-H384 AromaticContact CZ-CG 3.66Å; Y380-H384 WeakPolarHBondContact O-CB 3.14Å; Y380-H384 PolarHBondContact O-N 3.32Å; Y380-H384 PolarHBondContact O-ND1 3.44Å; I381-H384 PolarHBondContact O-N 3.44Å
385V95.2Very high95.9Very high11 Ų1140.6 Ų40.67%0.06721%0.209CC..  trans-139.2152-171-67.60000113I381 L434 Y435 A510 F513I381-V385 HydrophobicContact CB-CG2 4.4Å; I381-V385 HydrophobicContact CG2-CG2 4.2Å; I381-V385 PolarHBondContact O-N 3.17Å; I381-V385 VanDerWaalsContact O-N 3.17Å; V385-L434 HydrophobicContact CB-CD1 4.29Å; V385-L434 HydrophobicContact CG1-CB 4.42Å; V385-L434 HydrophobicContact CG1-CD1 3.96Å; V385-Y435 HydrophobicContact CB-CD1 4.14Å; V385-Y435 HydrophobicContact CB-CE1 4.02Å; V385-Y435 HydrophobicContact CG2-CD1 3.5Å; V385-Y435 HydrophobicContact CG2-CE1 3.74Å; V385-Y435 HydrophobicContact CG2-CG 4.41Å; V385-A510 HydrophobicContact CG1-CB 3.81Å; V385-A510 HydrophobicContact CG2-CB 4.06Å; V385-F513 HydrophobicContact CG1-CB 4.45Å; V385-F513 HydrophobicContact CG1-CD1 4.06Å; V385-F513 HydrophobicContact CG1-CG 4.49Å
386N94.7Very high96Very high69 Ų6940.7 Ų40.737%0.36921%0.21SC..  trans-147.1178.8178.961.842.1000110.4T388 H389 K390N386-T388 PolarHBondContact O-N 3.11Å; N386-T388 WeakPolarHBondContact OD1-CA 3.06Å; N386-T388 VanDerWaalsContact OD1-CB 3.26Å; N386-T388 WeakPolarHBondContact OD1-CB 3.18Å; N386-T388 PolarHBondContact OD1-N 3Å; N386-H389 WeakPolarHBondContact O-CB 3.37Å; N386-H389 PolarHBondContact O-N 3.49Å; N386-H389 PolarHBondContact OD1-N 2.89Å; N386-K390 PolarHBondContact O-N 3.39Å
387E95Very high96.1Very high105 Ų10540.9 Ų40.949%0.49121%0.21SC..Hα-helixtrans-64.3-28-178-66.4-55.7136.500113.3K390 T391 Y435E387-K390 PolarHBondContact O-N 2.84Å; E387-T391 WeakPolarHBondContact O-CB 3.43Å; E387-T391 PolarHBondContact O-N 2.69Å; E387-T391 PolarHBondContact O-OG1 2.99Å; E387-Y435 VanDerWaalsContact CD-OH 3.25Å; E387-Y435 PolarHBondContact N-OH 2.82Å; E387-Y435 WeakPolarHBondContact OE1-CE2 3.4Å; E387-Y435 PolarHBondContact OE1-OH 3.01Å
388T95.1Very high96.2Very high105 Ų10544.1 Ų44.164%0.64423%0.228SC*.Hα-helixtrans-66.2-46.8174.3-55.90000110.6N386 K390 T391 E392N386-T388 PolarHBondContact O-N 3.11Å; N386-T388 WeakPolarHBondContact OD1-CA 3.06Å; N386-T388 VanDerWaalsContact OD1-CB 3.26Å; N386-T388 WeakPolarHBondContact OD1-CB 3.18Å; N386-T388 PolarHBondContact OD1-N 3Å; T388-K390 VanDerWaalsContact C-N 3.34Å; T388-K390 PolarHBondContact O-N 3.35Å; T388-T391 PolarHBondContact O-N 2.83Å; T388-E392 PolarHBondContact O-N 3.13Å
389H95.6Very high96.3Very high15 Ų1545.6 Ų45.67%0.06924%0.235CC..Hα-helixtrans-59.3-44.8174.6-63.6159.7000111.6N386 T391 E392 V393 L434 F513 E520N386-H389 WeakPolarHBondContact O-CB 3.37Å; N386-H389 PolarHBondContact O-N 3.49Å; N386-H389 PolarHBondContact OD1-N 2.89Å; H389-T391 PolarHBondContact O-N 3Å; H389-E392 WeakPolarHBondContact O-CB 3.4Å; H389-E392 PolarHBondContact O-N 2.72Å; H389-V393 WeakPolarHBondContact O-CG2 3.46Å; H389-V393 PolarHBondContact O-N 2.68Å; H389-V393 VanDerWaalsContact O-N 3.11Å; H389-L434 HydrophobicContact CB-CD1 3.65Å; H389-F513 HydrophobicContact CB-CD1 4.33Å; H389-F513 HydrophobicContact CB-CE1 3.46Å; H389-F513 VanDerWaalsContact CB-CE1 3.46Å; H389-F513 HydrophobicContact CB-CZ 3.55Å; H389-F513 AromaticContact CD2-CE1 3.61Å; H389-F513 AromaticContact CD2-CZ 3.93Å; H389-F513 AromaticContact CG-CE1 3.3Å; H389-F513 AromaticContact CG-CZ 3.77Å; H389-F513 AromaticContact ND1-CE1 3.65Å; H389-E520 IonicContact CE1-OE1 3.28Å; H389-E520 IonicContact NE2-OE1 2.79Å; H389-E520 PolarHBondContact NE2-OE1 3.41Å
390K96.1Very high96.5Very high39 Ų3945.6 Ų45.617%0.1724%0.235CC..Hα-helixtrans-61.3-44.8177.6-176.8170.3178.6175.90111.9N386 E387 T388 E392 V393 I394 A433 L434 Y435 S436N386-K390 PolarHBondContact O-N 3.39Å; E387-K390 PolarHBondContact O-N 2.84Å; T388-K390 VanDerWaalsContact C-N 3.34Å; T388-K390 PolarHBondContact O-N 3.35Å; K390-E392 VanDerWaalsContact C-N 3.32Å; K390-E392 PolarHBondContact O-N 3.33Å; K390-V393 PolarHBondContact O-N 3.01Å; K390-I394 HydrophobicContact CG-CD1 3.99Å; K390-I394 VanDerWaalsContact O-CG1 3.31Å; K390-I394 WeakPolarHBondContact O-CG1 3.48Å; K390-I394 PolarHBondContact O-N 3.5Å; K390-A433 HydrophobicContact CG-CB 4.12Å; K390-L434 HydrophobicContact CB-CD1 4.46Å; K390-Y435 HydrophobicContact CB-CE1 4.48Å; K390-Y435 HydrophobicContact CD-CE1 4.44Å; K390-Y435 WeakPolarHBondContact CE-O 3.4Å; K390-Y435 PolarHBondContact NZ-O 3.15Å; K390-S436 PolarHBondContact NZ-O 3.5Å
391T97.5Very high96.5Very high69 Ų6946.8 Ų46.842%0.42324%0.24SC..Hα-helixtrans-61.5-40.8177-59.90000111.5E387 T388 H389 I394 N395E387-T391 WeakPolarHBondContact O-CB 3.43Å; E387-T391 PolarHBondContact O-N 2.69Å; E387-T391 PolarHBondContact O-OG1 2.99Å; T388-T391 PolarHBondContact O-N 2.83Å; H389-T391 PolarHBondContact O-N 3Å; T391-I394 PolarHBondContact O-N 3.4Å; T391-N395 WeakPolarHBondContact O-CB 3.44Å; T391-N395 PolarHBondContact O-N 3.19Å; T391-N395 PolarHBondContact O-ND2 2.99Å
392E96.2Very high96.7Very high41 Ų4150.6 Ų50.619%0.19226%0.263CS..Hα-helixtrans-60.5-48.5176.4-177.8170-155.800112T388 H389 K390 I394 N395 M396 Y518 K527T388-E392 PolarHBondContact O-N 3.13Å; H389-E392 WeakPolarHBondContact O-CB 3.4Å; H389-E392 PolarHBondContact O-N 2.72Å; K390-E392 VanDerWaalsContact C-N 3.32Å; K390-E392 PolarHBondContact O-N 3.33Å; E392-I394 PolarHBondContact O-N 2.51Å; E392-N395 PolarHBondContact O-N 2.8Å; E392-M396 HydrophobicContact CG-SD 4.27Å; E392-M396 WeakPolarHBondContact O-CG 3.28Å; E392-M396 PolarHBondContact O-N 3.49Å; E392-Y518 WeakPolarHBondContact OE2-CE2 3.3Å; E392-Y518 PolarHBondContact OE2-OH 3.4Å; E392-K527 VanDerWaalsContact OE1-CD 3.23Å; E392-K527 WeakPolarHBondContact OE1-CD 3.4Å; E392-K527 VanDerWaalsContact OE1-CE 3.25Å; E392-K527 WeakPolarHBondContact OE1-CE 3.3Å; E392-K527 IonicContact OE1-NZ 3.82Å; E392-K527 PolarHBondContact OE1-NZ 2.92Å; E392-K527 IonicContact OE2-NZ 2.95Å
393V97.5Very high96.9Very high0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-61-43.3177.8175.20000111.7H389 K390 N395 M396 F397 I431 A433 L434 V508 F513 L531 I535H389-V393 WeakPolarHBondContact O-CG2 3.46Å; H389-V393 PolarHBondContact O-N 2.68Å; H389-V393 VanDerWaalsContact O-N 3.11Å; K390-V393 PolarHBondContact O-N 3.01Å; V393-N395 VanDerWaalsContact C-N 3.34Å; V393-N395 PolarHBondContact O-N 3.1Å; V393-M396 PolarHBondContact O-N 3.46Å; V393-F397 WeakPolarHBondContact O-CB 3.47Å; V393-F397 PolarHBondContact O-N 3.03Å; V393-I431 HydrophobicContact CG1-CD1 3.86Å; V393-A433 HydrophobicContact CB-CB 4.08Å; V393-A433 HydrophobicContact CG1-CB 3.77Å; V393-L434 HydrophobicContact CG2-CD1 4.13Å; V393-L434 HydrophobicContact CG2-CD2 4.1Å; V393-L434 HydrophobicContact CG2-CG 4.12Å; V393-V508 HydrophobicContact CG1-CB 4.36Å; V393-V508 HydrophobicContact CG1-CG1 4.27Å; V393-F513 HydrophobicContact CG2-CD2 3.99Å; V393-F513 HydrophobicContact CG2-CE2 3.54Å; V393-L531 HydrophobicContact CG2-CD2 4.2Å; V393-I535 HydrophobicContact CG1-CD1 4.13Å
394I98.5Very high97.2Very high54 Ų5442.5 Ų42.528%0.27723%0.225SC..Hα-helixtrans-61.6-43.7177-69.1167.1000110.7K390 T391 E392 F397 N398 I431 A433K390-I394 HydrophobicContact CG-CD1 3.99Å; K390-I394 VanDerWaalsContact O-CG1 3.31Å; K390-I394 WeakPolarHBondContact O-CG1 3.48Å; K390-I394 PolarHBondContact O-N 3.5Å; T391-I394 PolarHBondContact O-N 3.4Å; E392-I394 PolarHBondContact O-N 2.51Å; I394-F397 PolarHBondContact O-N 3.37Å; I394-N398 WeakPolarHBondContact O-CB 3.29Å; I394-N398 PolarHBondContact O-N 3.4Å; I394-N398 PolarHBondContact O-ND2 3.37Å; I394-I431 HydrophobicContact CG1-CG2 4.24Å; I394-A433 HydrophobicContact CD1-CB 4.34Å; I394-A433 HydrophobicContact CG1-CB 3.77Å
395N98.2Very high97.4Very high87 Ų8742.1 Ų42.147%0.46522%0.224SC..Hα-helixtrans-65.4-43.3177.8-71.4-19.1000111.6T391 E392 V393 F397 N398 E399T391-N395 WeakPolarHBondContact O-CB 3.44Å; T391-N395 PolarHBondContact O-N 3.19Å; T391-N395 PolarHBondContact O-ND2 2.99Å; E392-N395 PolarHBondContact O-N 2.8Å; V393-N395 VanDerWaalsContact C-N 3.34Å; V393-N395 PolarHBondContact O-N 3.1Å; N395-F397 VanDerWaalsContact C-N 3.35Å; N395-F397 PolarHBondContact O-N 2.85Å; N395-N398 PolarHBondContact O-N 3.35Å; N395-E399 WeakPolarHBondContact O-CB 3.3Å; N395-E399 WeakPolarHBondContact O-CG 3.47Å; N395-E399 PolarHBondContact O-N 3.42Å
396M98.2Very high97.5Very high6 Ų644.9 Ų44.93%0.0324%0.238CC..Hα-helixtrans-57.1-48.8175.1-71.3178.372.100111.4E392 V393 N398 E399 I400 K527 Y528 L531 G532 I535E392-M396 HydrophobicContact CG-SD 4.27Å; E392-M396 WeakPolarHBondContact O-CG 3.28Å; E392-M396 PolarHBondContact O-N 3.49Å; V393-M396 PolarHBondContact O-N 3.46Å; M396-N398 PolarHBondContact O-N 3.13Å; M396-E399 PolarHBondContact O-N 2.93Å; M396-I400 WeakPolarHBondContact O-CD1 3.28Å; M396-I400 VanDerWaalsContact O-CG1 3.24Å; M396-I400 WeakPolarHBondContact O-CG1 3.03Å; M396-I400 PolarHBondContact O-N 3Å; M396-K527 HydrophobicContact CE-CB 4.4Å; M396-K527 WeakPolarHBondContact CE-O 3.47Å; M396-Y528 HydrophobicContact CE-CD1 4.44Å; M396-Y528 HydrophobicContact CE-CD2 4.43Å; M396-Y528 HydrophobicContact CE-CE1 4.44Å; M396-Y528 HydrophobicContact CE-CE2 4.43Å; M396-Y528 HydrophobicContact CE-CG 4.43Å; M396-Y528 HydrophobicContact CG-CE2 4.32Å; M396-L531 HydrophobicContact CE-CB 4.12Å; M396-L531 HydrophobicContact CE-CD2 4.37Å; M396-L531 HydrophobicContact CE-CG 4.14Å; M396-L531 HydrophobicContact SD-CD2 4.05Å; M396-L531 HydrophobicContact SD-CG 4.41Å; M396-G532 VanDerWaalsContact CE-N 3.34Å; M396-I535 HydrophobicContact CB-CD1 4.14Å
397F98.7Very high97.6Very high3 Ų343.3 Ų43.31%0.01323%0.23CC..Hα-helixtrans-57.4-48.6176.6169.1-105.8000112.7V393 I394 N395 E399 I400 K401 L429 I431 I506 I535 I539V393-F397 WeakPolarHBondContact O-CB 3.47Å; V393-F397 PolarHBondContact O-N 3.03Å; I394-F397 PolarHBondContact O-N 3.37Å; N395-F397 VanDerWaalsContact C-N 3.35Å; N395-F397 PolarHBondContact O-N 2.85Å; F397-E399 PolarHBondContact O-N 2.04Å; F397-I400 PolarHBondContact O-N 3.14Å; F397-K401 HydrophobicContact CD1-CD 4.02Å; F397-K401 HydrophobicContact CD2-CD 4.46Å; F397-K401 HydrophobicContact CE1-CD 3.41Å; F397-K401 VanDerWaalsContact CE1-CD 3.41Å; F397-K401 HydrophobicContact CE1-CG 4.44Å; F397-K401 HydrophobicContact CE2-CD 3.89Å; F397-K401 HydrophobicContact CE2-CG 4.2Å; F397-K401 HydrophobicContact CZ-CD 3.36Å; F397-K401 HydrophobicContact CZ-CG 4.16Å; F397-K401 WeakPolarHBondContact O-CG 3.12Å; F397-K401 PolarHBondContact O-N 2.92Å; F397-L429 HydrophobicContact CE2-CD2 3.81Å; F397-L429 HydrophobicContact CE2-CG 4.12Å; F397-L429 HydrophobicContact CZ-CB 4.18Å; F397-L429 HydrophobicContact CZ-CD2 4.07Å; F397-L429 HydrophobicContact CZ-CG 3.93Å; F397-L429 WeakPolarHBondContact CZ-O 3.41Å; F397-I431 HydrophobicContact CB-CD1 3.65Å; F397-I431 HydrophobicContact CB-CG2 4.31Å; F397-I431 HydrophobicContact CD1-CB 3.8Å; F397-I431 HydrophobicContact CD1-CD1 4.47Å; F397-I431 HydrophobicContact CD1-CG2 3.45Å; F397-I431 VanDerWaalsContact CD1-CG2 3.45Å; F397-I431 HydrophobicContact CD2-CB 4.19Å; F397-I431 HydrophobicContact CD2-CD1 4.01Å; F397-I431 HydrophobicContact CE1-CB 3.89Å; F397-I431 HydrophobicContact CE1-CG2 3.81Å; F397-I431 HydrophobicContact CE2-CB 4.3Å; F397-I431 HydrophobicContact CG-CB 3.92Å; F397-I431 HydrophobicContact CG-CD1 3.8Å; F397-I431 HydrophobicContact CG-CG1 4.46Å; F397-I431 HydrophobicContact CG-CG2 3.91Å; F397-I431 HydrophobicContact CZ-CB 4.12Å; F397-I506 HydrophobicContact CD2-CD1 4.35Å; F397-I506 HydrophobicContact CE2-CD1 3.88Å; F397-I535 HydrophobicContact CB-CG2 4.14Å; F397-I535 HydrophobicContact CD2-CG2 4.01Å; F397-I539 HydrophobicContact CD2-CD1 3.83Å; F397-I539 HydrophobicContact CD2-CG1 4.18Å; F397-I539 HydrophobicContact CE2-CD1 4.02Å; F397-I539 HydrophobicContact CE2-CG1 4Å
398N98.7Very high97.6Very high71 Ų7138.7 Ų38.738%0.3821%0.208SC..Hα-helixtrans-64.1-41.2179.9-72.8-32.6000112.1I394 N395 M396 K401 V402I394-N398 WeakPolarHBondContact O-CB 3.29Å; I394-N398 PolarHBondContact O-N 3.4Å; I394-N398 PolarHBondContact O-ND2 3.37Å; N395-N398 PolarHBondContact O-N 3.35Å; M396-N398 PolarHBondContact O-N 3.13Å; N398-K401 WeakPolarHBondContact O-CB 3.38Å; N398-K401 PolarHBondContact O-N 2.96Å; N398-V402 WeakPolarHBondContact O-CG2 3.43Å; N398-V402 PolarHBondContact O-N 3.29Å
399E98.6Very high97.6Very high44 Ų4436.3 Ų36.321%0.20620%0.196CC..Hα-helixtrans-64.5-40.5176.3-71.7-70.3172.300111.5N395 M396 F397 K401 V402 T403 T612 R615 L616 K619N395-E399 WeakPolarHBondContact O-CB 3.3Å; N395-E399 WeakPolarHBondContact O-CG 3.47Å; N395-E399 PolarHBondContact O-N 3.42Å; M396-E399 PolarHBondContact O-N 2.93Å; F397-E399 PolarHBondContact O-N 2.04Å; E399-K401 PolarHBondContact O-N 3.24Å; E399-V402 PolarHBondContact O-N 2.94Å; E399-T403 PolarHBondContact O-N 3.46Å; E399-T403 PolarHBondContact O-OG1 3.35Å; E399-T612 HydrophobicContact CB-CG2 3.75Å; E399-R615 PolarHBondContact O-NH2 3.29Å; E399-R615 IonicContact OE2-CZ 3.94Å; E399-R615 IonicContact OE2-NE 3.93Å; E399-R615 IonicContact OE2-NH2 3.76Å; E399-R615 PolarHBondContact OE2-NH2 3.22Å; E399-L616 HydrophobicContact CB-CD1 4.14Å; E399-L616 HydrophobicContact CG-CD1 4.11Å; E399-L616 HydrophobicContact CG-CD2 4.16Å; E399-K619 IonicContact OE1-NZ 3.9Å
400I98.8Very high97.5Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-64-42.8176-63.9160.6000110.6M396 F397 V402 T403 V404 Y528 G532 I535 I539 T612M396-I400 WeakPolarHBondContact O-CD1 3.28Å; M396-I400 VanDerWaalsContact O-CG1 3.24Å; M396-I400 WeakPolarHBondContact O-CG1 3.03Å; M396-I400 PolarHBondContact O-N 3Å; F397-I400 PolarHBondContact O-N 3.14Å; I400-V402 VanDerWaalsContact C-N 3.29Å; I400-V402 PolarHBondContact O-N 2.9Å; I400-T403 WeakPolarHBondContact O-CA 3.42Å; I400-T403 WeakPolarHBondContact O-CB 3.07Å; I400-T403 PolarHBondContact O-N 3.12Å; I400-V404 HydrophobicContact CG2-CG2 3.98Å; I400-V404 WeakPolarHBondContact O-CG2 3.26Å; I400-V404 PolarHBondContact O-N 3.47Å; I400-Y528 HydrophobicContact CD1-CE1 4.31Å; I400-Y528 HydrophobicContact CG1-CD1 4.47Å; I400-Y528 HydrophobicContact CG1-CE1 4.03Å; I400-G532 VanDerWaalsContact CD1-O 3.31Å; I400-G532 WeakPolarHBondContact CD1-O 3.39Å; I400-I535 HydrophobicContact CD1-CB 3.99Å; I400-I535 HydrophobicContact CD1-CG2 3.83Å; I400-I539 HydrophobicContact CB-CD1 3.88Å; I400-I539 HydrophobicContact CG2-CD1 3.48Å; I400-I539 VanDerWaalsContact CG2-CD1 3.48Å; I400-T612 HydrophobicContact CG1-CG2 4.04Å
401K98.6Very high97.4Very high25 Ų2540.9 Ų40.911%0.10922%0.217CC..Hα-helixtrans-54.2-44.2176-77.9176.649.1163.90112.7F397 N398 E399 T403 V404 I405 I426 S427 L429 I539F397-K401 HydrophobicContact CD1-CD 4.02Å; F397-K401 HydrophobicContact CD2-CD 4.46Å; F397-K401 HydrophobicContact CE1-CD 3.41Å; F397-K401 VanDerWaalsContact CE1-CD 3.41Å; F397-K401 HydrophobicContact CE1-CG 4.44Å; F397-K401 HydrophobicContact CE2-CD 3.89Å; F397-K401 HydrophobicContact CE2-CG 4.2Å; F397-K401 HydrophobicContact CZ-CD 3.36Å; F397-K401 HydrophobicContact CZ-CG 4.16Å; F397-K401 WeakPolarHBondContact O-CG 3.12Å; F397-K401 PolarHBondContact O-N 2.92Å; N398-K401 WeakPolarHBondContact O-CB 3.38Å; N398-K401 PolarHBondContact O-N 2.96Å; E399-K401 PolarHBondContact O-N 3.24Å; K401-T403 VanDerWaalsContact C-N 3.29Å; K401-T403 PolarHBondContact O-N 3.24Å; K401-V404 PolarHBondContact O-N 2.63Å; K401-I405 WeakPolarHBondContact O-CG1 3.45Å; K401-I405 PolarHBondContact O-N 2.67Å; K401-I426 HydrophobicContact CB-CG2 4.14Å; K401-I426 WeakPolarHBondContact CE-O 3.49Å; K401-I426 HydrophobicContact CG-CG2 4Å; K401-I426 PolarHBondContact NZ-O 3.47Å; K401-I426 VanDerWaalsContact NZ-O 3.14Å; K401-S427 PolarHBondContact NZ-O 2.73Å; K401-L429 PolarHBondContact NZ-O 2.8Å; K401-I539 HydrophobicContact CG-CD1 4.36Å
402V98.5Very high97.1Very high82 Ų8244.1 Ų44.150%0.49723%0.232SC..Hα-helixtrans-59.8-43.6177.3177.90000110.5N398 E399 I400 D406 R615N398-V402 WeakPolarHBondContact O-CG2 3.43Å; N398-V402 PolarHBondContact O-N 3.29Å; E399-V402 PolarHBondContact O-N 2.94Å; I400-V402 VanDerWaalsContact C-N 3.29Å; I400-V402 PolarHBondContact O-N 2.9Å; V402-D406 PolarHBondContact O-N 3.12Å; V402-D406 VanDerWaalsContact O-N 3.13Å; V402-R615 VanDerWaalsContact CG1-NH1 3.31Å
403T98.5Very high96.9Very high3 Ų344.8 Ų44.82%0.01823%0.233CC..Hα-helixtrans-65.4-42.5177.5-52.50000112E399 I400 K401 I405 D406 L407 T612 R615E399-T403 PolarHBondContact O-N 3.46Å; E399-T403 PolarHBondContact O-OG1 3.35Å; I400-T403 WeakPolarHBondContact O-CA 3.42Å; I400-T403 WeakPolarHBondContact O-CB 3.07Å; I400-T403 PolarHBondContact O-N 3.12Å; K401-T403 VanDerWaalsContact C-N 3.29Å; K401-T403 PolarHBondContact O-N 3.24Å; T403-I405 PolarHBondContact O-N 2.96Å; T403-D406 PolarHBondContact O-N 2.69Å; T403-L407 HydrophobicContact CG2-CD1 4.09Å; T403-L407 HydrophobicContact CG2-CG 4.32Å; T403-L407 WeakPolarHBondContact O-CB 3.41Å; T403-L407 VanDerWaalsContact O-CG 3.31Å; T403-L407 WeakPolarHBondContact O-CG 3.31Å; T403-L407 PolarHBondContact O-N 3.49Å; T403-T612 WeakPolarHBondContact CB-OG1 3.09Å; T403-T612 WeakPolarHBondContact OG1-CA 3.16Å; T403-T612 WeakPolarHBondContact OG1-CB 3.46Å; T403-T612 PolarHBondContact OG1-OG1 3.26Å; T403-R615 PolarHBondContact OG1-NH1 2.77Å; T403-R615 PolarHBondContact OG1-NH2 3.44Å
404V98.3Very high96.7Very high4 Ų445.1 Ų45.12%0.02423%0.234CC..Hα-helixtrans-63.2-42.8179.3173.10000111.2I400 K401 D406 L407 L408 I426 I539 M540 I543 A608I400-V404 HydrophobicContact CG2-CG2 3.98Å; I400-V404 WeakPolarHBondContact O-CG2 3.26Å; I400-V404 PolarHBondContact O-N 3.47Å; K401-V404 PolarHBondContact O-N 2.63Å; V404-D406 VanDerWaalsContact C-N 3.35Å; V404-D406 PolarHBondContact O-N 2.95Å; V404-L407 PolarHBondContact O-N 3.23Å; V404-L408 HydrophobicContact CG1-CD1 4.15Å; V404-L408 HydrophobicContact CG1-CG 4.41Å; V404-L408 WeakPolarHBondContact O-CB 3.34Å; V404-L408 VanDerWaalsContact O-CG 3.31Å; V404-L408 WeakPolarHBondContact O-CG 3.28Å; V404-L408 PolarHBondContact O-N 3.02Å; V404-I426 HydrophobicContact CB-CG2 4.46Å; V404-I426 HydrophobicContact CG1-CD1 4.31Å; V404-I426 HydrophobicContact CG1-CG1 4.04Å; V404-I426 HydrophobicContact CG1-CG2 4.26Å; V404-I539 HydrophobicContact CG1-CG2 4.36Å; V404-I539 HydrophobicContact CG2-CG2 4.1Å; V404-M540 HydrophobicContact CB-CE 4.3Å; V404-M540 HydrophobicContact CG1-CE 3.91Å; V404-M540 HydrophobicContact CG2-CE 3.35Å; V404-I543 HydrophobicContact CG1-CD1 3.89Å; V404-A608 HydrophobicContact CG2-CB 3.78Å
405I98.3Very high96.4Very high52 Ų5246.5 Ų46.527%0.26724%0.242SC..Hα-helixtrans-61.8-43.1176.5-71.1168.7000111.3K401 T403 L408 S409 Q423 I426K401-I405 WeakPolarHBondContact O-CG1 3.45Å; K401-I405 PolarHBondContact O-N 2.67Å; T403-I405 PolarHBondContact O-N 2.96Å; I405-L408 PolarHBondContact O-N 3.44Å; I405-S409 PolarHBondContact O-N 2.97Å; I405-Q423 HydrophobicContact CG2-CG 4.17Å; I405-Q423 PolarHBondContact O-NE2 2.99Å; I405-I426 HydrophobicContact CD1-CG2 4.13Å; I405-I426 HydrophobicContact CG1-CB 4.26Å; I405-I426 HydrophobicContact CG1-CG2 3.83Å
406D97.6Very high96.3Very high68 Ų6848.8 Ų48.836%0.36425%0.25SS..Hα-helixtrans-62.8-45.8175.3171.869.8000111.6V402 T403 V404 L408 S409 K410V402-D406 PolarHBondContact O-N 3.12Å; V402-D406 VanDerWaalsContact O-N 3.13Å; T403-D406 PolarHBondContact O-N 2.69Å; V404-D406 VanDerWaalsContact C-N 3.35Å; V404-D406 PolarHBondContact O-N 2.95Å; D406-L408 PolarHBondContact O-N 2.88Å; D406-S409 PolarHBondContact O-N 3.45Å; D406-S409 PolarHBondContact O-OG 2.83Å; D406-K410 VanDerWaalsContact OD1-CE 3.23Å; D406-K410 WeakPolarHBondContact OD1-CE 3.29Å; D406-K410 IonicContact OD1-NZ 2.7Å; D406-K410 PolarHBondContact OD1-NZ 2.78Å; D406-K410 IonicContact OD2-NZ 3.64Å; D406-K410 PolarHBondContact OD2-NZ 3.31Å
407L96Very high96.1Very high36 Ų3655.5 Ų55.519%0.18828%0.279CS..Hα-helixtrans-61.2-43.9176.5-71.6175.5000111.8T403 V404 S409 K410 A608 Y611T403-L407 HydrophobicContact CG2-CD1 4.09Å; T403-L407 HydrophobicContact CG2-CG 4.32Å; T403-L407 WeakPolarHBondContact O-CB 3.41Å; T403-L407 VanDerWaalsContact O-CG 3.31Å; T403-L407 WeakPolarHBondContact O-CG 3.31Å; T403-L407 PolarHBondContact O-N 3.49Å; V404-L407 PolarHBondContact O-N 3.23Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 3.19Å; L407-K410 PolarHBondContact O-N 3.28Å; L407-K410 VanDerWaalsContact O-N 3.11Å; L407-A608 HydrophobicContact CD1-CB 4.02Å; L407-Y611 HydrophobicContact CD2-CD2 4.26Å
408L95.7Very high95.8Very high8 Ų856.3 Ų56.34%0.04228%0.284CS..Hα-helixtrans-58.3-37.8177-78.7172.5000112.6V404 I405 D406 K410 I411 L414 M422 Q423 I426 I543V404-L408 HydrophobicContact CG1-CD1 4.15Å; V404-L408 HydrophobicContact CG1-CG 4.41Å; V404-L408 WeakPolarHBondContact O-CB 3.34Å; V404-L408 VanDerWaalsContact O-CG 3.31Å; V404-L408 WeakPolarHBondContact O-CG 3.28Å; V404-L408 PolarHBondContact O-N 3.02Å; I405-L408 PolarHBondContact O-N 3.44Å; D406-L408 PolarHBondContact O-N 2.88Å; L408-K410 PolarHBondContact O-N 2.68Å; L408-I411 HydrophobicContact CD2-CD1 4.04Å; L408-I411 PolarHBondContact O-N 2.88Å; L408-L414 HydrophobicContact CD2-CD1 4.39Å; L408-M422 HydrophobicContact CD1-CB 3.8Å; L408-M422 HydrophobicContact CD2-CB 4.19Å; L408-M422 HydrophobicContact CD2-SD 3.59Å; L408-M422 VanDerWaalsContact CD2-SD 3.59Å; L408-Q423 HydrophobicContact CB-CG 4.24Å; L408-Q423 HydrophobicContact CD1-CG 4.13Å; L408-I426 HydrophobicContact CD1-CG1 4.23Å; L408-I543 HydrophobicContact CD1-CD1 4.15Å; L408-I543 HydrophobicContact CD2-CD1 4.08Å; L408-I543 HydrophobicContact CG-CD1 4.38Å
409S95.6Very high95.7Very high55 Ų5553.8 Ų53.839%0.38527%0.269SS..Hα-helixtrans-62.9-26.2179.676.30000113.2I405 D406 L407 K419I405-S409 PolarHBondContact O-N 2.97Å; D406-S409 PolarHBondContact O-N 3.45Å; D406-S409 PolarHBondContact O-OG 2.83Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 3.19Å; S409-K419 PolarHBondContact O-NZ 3.24Å
410K94.3Very high95.5Very high117 Ų11754.2 Ų54.251%0.50928%0.281SS..THydrogen-bonded Turntrans-93.2-2.2-174.3-64.6167.8-1761670114.1D406 L407 L408 D412D406-K410 VanDerWaalsContact OD1-CE 3.23Å; D406-K410 WeakPolarHBondContact OD1-CE 3.29Å; D406-K410 IonicContact OD1-NZ 2.7Å; D406-K410 PolarHBondContact OD1-NZ 2.78Å; D406-K410 IonicContact OD2-NZ 3.64Å; D406-K410 PolarHBondContact OD2-NZ 3.31Å; L407-K410 PolarHBondContact O-N 3.28Å; L407-K410 VanDerWaalsContact O-N 3.11Å; L408-K410 PolarHBondContact O-N 2.68Å; K410-D412 PolarHBondContact O-N 3.17Å
411I92.4Very high95.3Very high33 Ų3356.3 Ų56.317%0.16929%0.29CS..  trans-79.7115.9179.8-61.9177.4000109.6L408 W413 L414 K419L408-I411 HydrophobicContact CD2-CD1 4.04Å; L408-I411 PolarHBondContact O-N 2.88Å; I411-W413 VanDerWaalsContact CG2-CD1 3.44Å; I411-W413 HydrophobicContact CG2-CD2 4.15Å; I411-W413 HydrophobicContact CG2-CG 4.07Å; I411-W413 HydrophobicContact CG2-CZ2 4.23Å; I411-L414 HydrophobicContact CB-CB 4.47Å; I411-L414 HydrophobicContact CB-CD1 4.02Å; I411-L414 HydrophobicContact CB-CG 4.41Å; I411-L414 HydrophobicContact CD1-CD1 3.89Å; I411-L414 HydrophobicContact CG2-CB 4.08Å; I411-L414 HydrophobicContact CG2-CD1 3.79Å; I411-L414 HydrophobicContact CG2-CG 3.77Å; I411-K419 WeakPolarHBondContact O-CE 3.19Å; I411-K419 PolarHBondContact O-NZ 2.97Å
412D91.9Very high95.2Very high137 Ų13755.3 Ų55.373%0.73329%0.286SS*.SBendtrans-77.2-30.5-169.8-68.8-30.5000113.8K410K410-D412 PolarHBondContact O-N 3.17Å
413W92.3Very high95.1Very high55 Ų5554 Ų5421%0.20827%0.274CS..SBendtrans-82.8-16.3-176.865.7-91.4000113.5I411 E568 I569 K572 V701I411-W413 VanDerWaalsContact CG2-CD1 3.44Å; I411-W413 HydrophobicContact CG2-CD2 4.15Å; I411-W413 HydrophobicContact CG2-CG 4.07Å; I411-W413 HydrophobicContact CG2-CZ2 4.23Å; W413-E568 HydrophobicContact CE3-CG 3.56Å; W413-E568 HydrophobicContact CH2-CG 4.47Å; W413-E568 HydrophobicContact CZ3-CB 4.08Å; W413-E568 HydrophobicContact CZ3-CG 3.35Å; W413-I569 HydrophobicContact CH2-CG1 3.81Å; W413-K572 HydrophobicContact CB-CD 4.24Å; W413-K572 HydrophobicContact CD2-CB 4.44Å; W413-K572 HydrophobicContact CD2-CD 3.93Å; W413-K572 HydrophobicContact CD2-CG 3.69Å; W413-K572 HydrophobicContact CE3-CD 4.31Å; W413-K572 HydrophobicContact CE3-CG 3.78Å; W413-K572 HydrophobicContact CG-CD 3.88Å; W413-K572 HydrophobicContact CG-CG 4.19Å; W413-K572 HydrophobicContact CH2-CG 4.31Å; W413-K572 HydrophobicContact CZ2-CB 4.23Å; W413-K572 HydrophobicContact CZ2-CG 4.24Å; W413-K572 HydrophobicContact CZ3-CG 4.1Å; W413-V701 HydrophobicContact CZ2-CG1 4.11Å
414L92.5Very high95Very high7 Ų757 Ų574%0.03729%0.29CS..SBendtrans-78.2128.4173-76.4174000109.2L408 I411 D418 K419 M422 L565L408-L414 HydrophobicContact CD2-CD1 4.39Å; I411-L414 HydrophobicContact CB-CB 4.47Å; I411-L414 HydrophobicContact CB-CD1 4.02Å; I411-L414 HydrophobicContact CB-CG 4.41Å; I411-L414 HydrophobicContact CD1-CD1 3.89Å; I411-L414 HydrophobicContact CG2-CB 4.08Å; I411-L414 HydrophobicContact CG2-CD1 3.79Å; I411-L414 HydrophobicContact CG2-CG 3.77Å; L414-D418 HydrophobicContact CD2-CB 4.16Å; L414-K419 HydrophobicContact CB-CG 3.79Å; L414-K419 VanDerWaalsContact O-CE 3.23Å; L414-K419 WeakPolarHBondContact O-CE 3.45Å; L414-M422 HydrophobicContact CD1-CE 4.1Å; L414-M422 HydrophobicContact CD1-SD 4.04Å; L414-M422 HydrophobicContact CD2-CE 3.91Å; L414-L565 HydrophobicContact CD2-CD1 3.62Å
415N93.4Very high94.9Very high84 Ų8456.8 Ų56.845%0.44929%0.289SS..  trans-71.5160171.266.265.1000110.7K417 D418 K419N415-K417 PolarHBondContact O-N 2.81Å; N415-K417 WeakPolarHBondContact OD1-CB 3.24Å; N415-K417 PolarHBondContact OD1-N 2.72Å; N415-K417 VanDerWaalsContact OD1-N 3.12Å; N415-D418 PolarHBondContact ND2-OD2 3.33Å; N415-D418 PolarHBondContact O-N 3.23Å; N415-D418 VanDerWaalsContact O-N 3.12Å; N415-D418 PolarHBondContact OD1-N 3.35Å; N415-D418 PolarHBondContact OD1-OD2 2.65Å; N415-K419 PolarHBondContact O-N 3.45Å
416E94.8Very high94.9Very high135 Ų13554.3 Ų54.363%0.63128%0.276SS*.Hα-helixtrans-61.4-29.2-175.4-65.2-55.6124.800113.8K419 A420E416-K419 IonicContact OE1-NZ 2.82Å; E416-K419 PolarHBondContact OE1-NZ 3.42Å; E416-A420 VanDerWaalsContact O-CB 3.3Å; E416-A420 WeakPolarHBondContact O-CB 3.37Å; E416-A420 PolarHBondContact O-N 2.83Å
417K93.9Very high94.9Very high147 Ų14753.9 Ų53.964%0.63928%0.278SS*.Hα-helixtrans-67.3-45.1176.1-179-173.9174.8-174.50111N415 A420 F421N415-K417 PolarHBondContact O-N 2.81Å; N415-K417 WeakPolarHBondContact OD1-CB 3.24Å; N415-K417 PolarHBondContact OD1-N 2.72Å; N415-K417 VanDerWaalsContact OD1-N 3.12Å; K417-A420 PolarHBondContact O-N 2.91Å; K417-F421 WeakPolarHBondContact O-CB 3.39Å; K417-F421 PolarHBondContact O-N 3.11Å
418D94.1Very high95Very high20 Ų2057.9 Ų57.911%0.10729%0.294CS..Hα-helixtrans-72.2-36.1-179.8-65.9-25000111.5L414 N415 F421 M422 L565L414-D418 HydrophobicContact CD2-CB 4.16Å; N415-D418 PolarHBondContact ND2-OD2 3.33Å; N415-D418 PolarHBondContact O-N 3.23Å; N415-D418 VanDerWaalsContact O-N 3.12Å; N415-D418 PolarHBondContact OD1-N 3.35Å; N415-D418 PolarHBondContact OD1-OD2 2.65Å; D418-F421 PolarHBondContact O-N 3.23Å; D418-M422 WeakPolarHBondContact O-CG 3.26Å; D418-M422 PolarHBondContact O-N 2.71Å; D418-L565 HydrophobicContact CB-CD1 3.89Å; D418-L565 HydrophobicContact CB-CD2 4.05Å
419K95.6Very high95.1Very high17 Ų1757.6 Ų57.67%0.07429%0.293CS..Hα-helixtrans-58-51.1169.5-71-178.6-175.2168.30111.3S409 I411 L414 N415 E416 F421 M422 Q423S409-K419 PolarHBondContact O-NZ 3.24Å; I411-K419 WeakPolarHBondContact O-CE 3.19Å; I411-K419 PolarHBondContact O-NZ 2.97Å; L414-K419 HydrophobicContact CB-CG 3.79Å; L414-K419 VanDerWaalsContact O-CE 3.23Å; L414-K419 WeakPolarHBondContact O-CE 3.45Å; N415-K419 PolarHBondContact O-N 3.45Å; E416-K419 IonicContact OE1-NZ 2.82Å; E416-K419 PolarHBondContact OE1-NZ 3.42Å; K419-F421 VanDerWaalsContact C-N 3.3Å; K419-F421 PolarHBondContact O-N 3.3Å; K419-M422 PolarHBondContact O-N 2.97Å; K419-Q423 WeakPolarHBondContact O-CB 3.48Å; K419-Q423 VanDerWaalsContact O-CG 3.24Å; K419-Q423 WeakPolarHBondContact O-CG 3.47Å; K419-Q423 PolarHBondContact O-N 3.28Å
420A95.3Very high95.2Very high54 Ų5456.9 Ų56.945%0.44629%0.288SS..Hα-helixtrans-60.5-40.3179.300000111.9E416 K417 Q423 D424E416-A420 VanDerWaalsContact O-CB 3.3Å; E416-A420 WeakPolarHBondContact O-CB 3.37Å; E416-A420 PolarHBondContact O-N 2.83Å; K417-A420 PolarHBondContact O-N 2.91Å; A420-Q423 PolarHBondContact O-N 3.46Å; A420-D424 WeakPolarHBondContact O-CB 3.49Å; A420-D424 PolarHBondContact O-N 3.4Å
421F94.3Very high95.4Very high43 Ų4352.8 Ų52.819%0.18927%0.271CS..Hα-helixtrans-60.2-51.1174.8168.1-103.8000112.4K417 D418 K419 Q423 D424 K425 V548 D551 L557 L565K417-F421 WeakPolarHBondContact O-CB 3.39Å; K417-F421 PolarHBondContact O-N 3.11Å; D418-F421 PolarHBondContact O-N 3.23Å; K419-F421 VanDerWaalsContact C-N 3.3Å; K419-F421 PolarHBondContact O-N 3.3Å; F421-Q423 PolarHBondContact O-N 2.87Å; F421-D424 PolarHBondContact O-N 2.56Å; F421-K425 WeakPolarHBondContact O-CB 3.24Å; F421-K425 PolarHBondContact O-N 3.08Å; F421-V548 HydrophobicContact CE1-CB 4.21Å; F421-V548 HydrophobicContact CE1-CG1 4.42Å; F421-D551 HydrophobicContact CE2-CB 4.08Å; F421-L557 HydrophobicContact CE1-CD1 4.34Å; F421-L557 HydrophobicContact CE2-CD1 3.62Å; F421-L557 HydrophobicContact CZ-CD1 3.48Å; F421-L557 VanDerWaalsContact CZ-CD1 3.48Å; F421-L565 HydrophobicContact CD1-CD2 3.94Å; F421-L565 HydrophobicContact CE1-CD2 4.22Å
422M95.9Very high95.6Very high5 Ų553.1 Ų53.13%0.02527%0.271CS..Hα-helixtrans-64.1-41.8178.9-69.3-171.5-167.500111.7L408 L414 D418 K419 K425 I426 I543 V548 L565 I569L408-M422 HydrophobicContact CD1-CB 3.8Å; L408-M422 HydrophobicContact CD2-CB 4.19Å; L408-M422 HydrophobicContact CD2-SD 3.59Å; L408-M422 VanDerWaalsContact CD2-SD 3.59Å; L414-M422 HydrophobicContact CD1-CE 4.1Å; L414-M422 HydrophobicContact CD1-SD 4.04Å; L414-M422 HydrophobicContact CD2-CE 3.91Å; D418-M422 WeakPolarHBondContact O-CG 3.26Å; D418-M422 PolarHBondContact O-N 2.71Å; K419-M422 PolarHBondContact O-N 2.97Å; M422-K425 WeakPolarHBondContact O-CB 3.44Å; M422-K425 PolarHBondContact O-N 2.79Å; M422-I426 WeakPolarHBondContact O-CG1 3.37Å; M422-I426 PolarHBondContact O-N 3.11Å; M422-I543 HydrophobicContact CB-CG2 3.94Å; M422-I543 HydrophobicContact CG-CB 4.36Å; M422-I543 HydrophobicContact CG-CG2 4.05Å; M422-I543 HydrophobicContact SD-CB 4.18Å; M422-I543 HydrophobicContact SD-CG2 4.46Å; M422-V548 HydrophobicContact CE-CG1 3.91Å; M422-L565 HydrophobicContact CE-CD1 3.71Å; M422-L565 HydrophobicContact CE-CD2 3.73Å; M422-L565 HydrophobicContact CE-CG 3.95Å; M422-I569 HydrophobicContact CE-CD1 3.95Å
423Q97.1Very high95.9Very high54 Ų5446.8 Ų46.825%0.25224%0.238SC..Hα-helixtrans-63.9-43.6177.8-73.1176.4-19.200112.2I405 L408 K419 A420 F421 K425 I426 S427I405-Q423 HydrophobicContact CG2-CG 4.17Å; I405-Q423 PolarHBondContact O-NE2 2.99Å; L408-Q423 HydrophobicContact CB-CG 4.24Å; L408-Q423 HydrophobicContact CD1-CG 4.13Å; K419-Q423 WeakPolarHBondContact O-CB 3.48Å; K419-Q423 VanDerWaalsContact O-CG 3.24Å; K419-Q423 WeakPolarHBondContact O-CG 3.47Å; K419-Q423 PolarHBondContact O-N 3.28Å; A420-Q423 PolarHBondContact O-N 3.46Å; F421-Q423 PolarHBondContact O-N 2.87Å; Q423-K425 VanDerWaalsContact C-N 3.29Å; Q423-K425 PolarHBondContact O-N 3.42Å; Q423-I426 PolarHBondContact O-N 2.93Å; Q423-S427 VanDerWaalsContact O-CB 3.3Å; Q423-S427 WeakPolarHBondContact O-CB 3.07Å; Q423-S427 PolarHBondContact O-N 3.35Å
424D96Very high96.1Very high65 Ų6544.1 Ų44.135%0.34823%0.228SC..Hα-helixtrans-57.6-46.1173.9-17971.1000110.4A420 F421 S427 K428A420-D424 WeakPolarHBondContact O-CB 3.49Å; A420-D424 PolarHBondContact O-N 3.4Å; F421-D424 PolarHBondContact O-N 2.56Å; D424-S427 PolarHBondContact O-N 2.67Å; D424-S427 PolarHBondContact O-OG 2.94Å; D424-K428 PolarHBondContact O-N 2.81Å; D424-K428 VanDerWaalsContact O-N 3.07Å; D424-K428 WeakPolarHBondContact OD1-CE 3.46Å; D424-K428 IonicContact OD1-NZ 2.96Å; D424-K428 PolarHBondContact OD1-NZ 3.29Å; D424-K428 IonicContact OD2-NZ 3.58Å; D424-K428 PolarHBondContact OD2-NZ 3.2Å
425K96.3Very high96.2Very high1 Ų144.4 Ų44.40%0.00423%0.229CC..Hα-helixtrans-61.3-48178.8-170.3172.8-172.7-1790113.2F421 M422 Q423 S427 K428 L429 Y499 N504 A542 G547 V550 A552F421-K425 WeakPolarHBondContact O-CB 3.24Å; F421-K425 PolarHBondContact O-N 3.08Å; M422-K425 WeakPolarHBondContact O-CB 3.44Å; M422-K425 PolarHBondContact O-N 2.79Å; Q423-K425 VanDerWaalsContact C-N 3.29Å; Q423-K425 PolarHBondContact O-N 3.42Å; K425-S427 VanDerWaalsContact C-N 3.34Å; K425-K428 PolarHBondContact O-N 3.02Å; K425-L429 PolarHBondContact O-N 3.23Å; K425-Y499 WeakPolarHBondContact CE-OH 3.41Å; K425-N504 WeakPolarHBondContact CE-OD1 3.18Å; K425-N504 PolarHBondContact O-ND2 3.49Å; K425-N504 VanDerWaalsContact O-ND2 3.13Å; K425-A542 WeakPolarHBondContact CD-O 3.34Å; K425-A542 VanDerWaalsContact CE-O 3.28Å; K425-A542 WeakPolarHBondContact CE-O 3.47Å; K425-A542 PolarHBondContact NZ-O 3.33Å; K425-G547 PolarHBondContact NZ-O 3.46Å; K425-V550 WeakPolarHBondContact CE-O 3.29Å; K425-V550 PolarHBondContact NZ-O 2.8Å; K425-A552 HydrophobicContact CB-CB 4.49Å; K425-A552 HydrophobicContact CG-CB 4.43Å
426I98.3Very high96.1Very high0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-62.8-42.2176.1-65.5-56000110.4K401 V404 I405 L408 M422 Q423 K428 L429 I539 A542 I543K401-I426 HydrophobicContact CB-CG2 4.14Å; K401-I426 WeakPolarHBondContact CE-O 3.49Å; K401-I426 HydrophobicContact CG-CG2 4Å; K401-I426 PolarHBondContact NZ-O 3.47Å; K401-I426 VanDerWaalsContact NZ-O 3.14Å; V404-I426 HydrophobicContact CB-CG2 4.46Å; V404-I426 HydrophobicContact CG1-CD1 4.31Å; V404-I426 HydrophobicContact CG1-CG1 4.04Å; V404-I426 HydrophobicContact CG1-CG2 4.26Å; I405-I426 HydrophobicContact CD1-CG2 4.13Å; I405-I426 HydrophobicContact CG1-CB 4.26Å; I405-I426 HydrophobicContact CG1-CG2 3.83Å; L408-I426 HydrophobicContact CD1-CG1 4.23Å; M422-I426 WeakPolarHBondContact O-CG1 3.37Å; M422-I426 PolarHBondContact O-N 3.11Å; Q423-I426 PolarHBondContact O-N 2.93Å; I426-K428 VanDerWaalsContact C-N 3.27Å; I426-K428 PolarHBondContact O-N 2.82Å; I426-L429 HydrophobicContact CD1-CD2 4.34Å; I426-L429 WeakPolarHBondContact O-CB 3.34Å; I426-L429 PolarHBondContact O-N 2.9Å; I426-L429 VanDerWaalsContact O-N 3.14Å; I426-I539 HydrophobicContact CD1-CG2 3.72Å; I426-A542 HydrophobicContact CD1-CB 4.23Å; I426-I543 HydrophobicContact CD1-CD1 4.22Å; I426-I543 HydrophobicContact CD1-CG1 4.25Å; I426-I543 HydrophobicContact CD1-CG2 3.66Å; I426-I543 HydrophobicContact CG1-CD1 4.36Å; I426-I543 HydrophobicContact CG1-CG2 3.81Å
427S97.8Very high95.9Very high59 Ų5939 Ų3941%0.41321%0.207SC..Hα-helixtrans-59.4-37.9179.979.70000112.5K401 Q423 D424 K425K401-S427 PolarHBondContact NZ-O 2.73Å; Q423-S427 VanDerWaalsContact O-CB 3.3Å; Q423-S427 WeakPolarHBondContact O-CB 3.07Å; Q423-S427 PolarHBondContact O-N 3.35Å; D424-S427 PolarHBondContact O-N 2.67Å; D424-S427 PolarHBondContact O-OG 2.94Å; K425-S427 VanDerWaalsContact C-N 3.34Å
428K97.9Very high95.6Very high119 Ų11936 Ų3652%0.51720%0.195SC..Hα-helixtrans-88.4-7.7179.1-70.5169.6-178.8160.60114.4D424 K425 I426 S430 A552D424-K428 PolarHBondContact O-N 2.81Å; D424-K428 VanDerWaalsContact O-N 3.07Å; D424-K428 WeakPolarHBondContact OD1-CE 3.46Å; D424-K428 IonicContact OD1-NZ 2.96Å; D424-K428 PolarHBondContact OD1-NZ 3.29Å; D424-K428 IonicContact OD2-NZ 3.58Å; D424-K428 PolarHBondContact OD2-NZ 3.2Å; K425-K428 PolarHBondContact O-N 3.02Å; I426-K428 VanDerWaalsContact C-N 3.27Å; I426-K428 PolarHBondContact O-N 2.82Å; K428-S430 PolarHBondContact O-N 2.87Å; K428-A552 HydrophobicContact CB-CB 4.05Å; K428-A552 HydrophobicContact CD-CB 3.59Å; K428-A552 HydrophobicContact CG-CB 4.46Å
429L98Very high95.6Very high3 Ų342 Ų422%0.01622%0.22CC..  trans-58.5130.3176.2-167.771.5000109.6F397 K401 K425 I426 Y499 N504 I506 I539 A542F397-L429 HydrophobicContact CE2-CD2 3.81Å; F397-L429 HydrophobicContact CE2-CG 4.12Å; F397-L429 HydrophobicContact CZ-CB 4.18Å; F397-L429 HydrophobicContact CZ-CD2 4.07Å; F397-L429 HydrophobicContact CZ-CG 3.93Å; F397-L429 WeakPolarHBondContact CZ-O 3.41Å; K401-L429 PolarHBondContact NZ-O 2.8Å; K425-L429 PolarHBondContact O-N 3.23Å; I426-L429 HydrophobicContact CD1-CD2 4.34Å; I426-L429 WeakPolarHBondContact O-CB 3.34Å; I426-L429 PolarHBondContact O-N 2.9Å; I426-L429 VanDerWaalsContact O-N 3.14Å; L429-Y499 HydrophobicContact CD1-CD2 4.03Å; L429-Y499 HydrophobicContact CD1-CE2 3.53Å; L429-N504 WeakPolarHBondContact CA-O 3.02Å; L429-N504 WeakPolarHBondContact CD1-O 2.89Å; L429-N504 VanDerWaalsContact CD1-OD1 3.23Å; L429-N504 WeakPolarHBondContact CD1-OD1 3.07Å; L429-N504 PolarHBondContact N-ND2 3.39Å; L429-I506 HydrophobicContact CD1-CG1 4.48Å; L429-I506 HydrophobicContact CD2-CD1 3.88Å; L429-I506 HydrophobicContact CD2-CG1 4.33Å; L429-I539 HydrophobicContact CD2-CB 4.32Å; L429-I539 HydrophobicContact CD2-CG1 3.89Å; L429-I539 HydrophobicContact CD2-CG2 4.07Å; L429-A542 HydrophobicContact CD1-CB 3.99Å; L429-A542 HydrophobicContact CD2-CB 4.42Å
430S98Very high95.5Very high39 Ų3942.1 Ų42.127%0.27322%0.222SC..EExtended strand (participates in β ladder)trans-110.6166.3178.266.60000111.9K428 N504 R505 I506K428-S430 PolarHBondContact O-N 2.87Å; S430-N504 PolarHBondContact N-O 3.02Å; S430-N504 VanDerWaalsContact N-O 3.09Å; S430-R505 CarbonylContact O-C 3.53Å; S430-R505 VanDerWaalsContact O-CA 3.32Å; S430-R505 WeakPolarHBondContact O-CA 2.98Å; S430-R505 WeakPolarHBondContact OG-CB 3.16Å; S430-R505 WeakPolarHBondContact OG-CG 3.31Å; S430-R505 PolarHBondContact OG-NE 2.81Å; S430-R505 VanDerWaalsContact OG-NE 3.08Å; S430-I506 PolarHBondContact O-N 3.23Å
431I98.1Very high95.4Very high32 Ų3239.5 Ų39.516%0.16420%0.201CC..EExtended strand (participates in β ladder)trans-129.9133.6177.7-171.8166.2000111.3V393 I394 F397 A433 I506 V508V393-I431 HydrophobicContact CG1-CD1 3.86Å; I394-I431 HydrophobicContact CG1-CG2 4.24Å; F397-I431 HydrophobicContact CB-CD1 3.65Å; F397-I431 HydrophobicContact CB-CG2 4.31Å; F397-I431 HydrophobicContact CD1-CB 3.8Å; F397-I431 HydrophobicContact CD1-CD1 4.47Å; F397-I431 HydrophobicContact CD1-CG2 3.45Å; F397-I431 VanDerWaalsContact CD1-CG2 3.45Å; F397-I431 HydrophobicContact CD2-CB 4.19Å; F397-I431 HydrophobicContact CD2-CD1 4.01Å; F397-I431 HydrophobicContact CE1-CB 3.89Å; F397-I431 HydrophobicContact CE1-CG2 3.81Å; F397-I431 HydrophobicContact CE2-CB 4.3Å; F397-I431 HydrophobicContact CG-CB 3.92Å; F397-I431 HydrophobicContact CG-CD1 3.8Å; F397-I431 HydrophobicContact CG-CG1 4.46Å; F397-I431 HydrophobicContact CG-CG2 3.91Å; F397-I431 HydrophobicContact CZ-CB 4.12Å; I431-A433 HydrophobicContact CG1-CB 4.42Å; I431-I506 CarbonylContact C-O 3.58Å; I431-I506 VanDerWaalsContact CA-O 3.3Å; I431-I506 WeakPolarHBondContact CA-O 2.87Å; I431-V508 HydrophobicContact CD1-CG2 3.84Å; I431-V508 HydrophobicContact CG1-CG2 4.36Å
432F97Very high95.4Very high39 Ų3940 Ų4017%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-90.3115.1156.3174.9-86.1000107.8I492 I506 Y507 V508F432-I492 HydrophobicContact CE1-CG2 3.95Å; F432-I492 HydrophobicContact CZ-CG2 3.86Å; F432-I506 PolarHBondContact N-O 2.91Å; F432-Y507 HydrophobicContact CB-CD1 3.49Å; F432-Y507 VanDerWaalsContact CB-CD1 3.49Å; F432-Y507 HydrophobicContact CB-CE1 3.69Å; F432-Y507 HydrophobicContact CB-CG 4.08Å; F432-Y507 AromaticContact CD1-CD1 3.75Å; F432-Y507 HydrophobicContact CD1-CD1 3.75Å; F432-Y507 HydrophobicContact CD1-CE1 4.36Å; F432-Y507 HydrophobicContact CD2-CD1 4.43Å; F432-Y507 HydrophobicContact CD2-CE1 4.25Å; F432-Y507 AromaticContact CG-CD1 3.64Å; F432-Y507 HydrophobicContact CG-CD1 3.64Å; F432-Y507 AromaticContact CG-CE1 3.86Å; F432-Y507 HydrophobicContact CG-CE1 3.86Å; F432-V508 PolarHBondContact O-N 3.39Å
433A97.3Very high95.4Very high4 Ų442.8 Ų42.83%0.03322%0.217CC..EExtended strand (participates in β ladder)trans-110.7110.8-174.400000110.8K390 V393 I394 I431 Y435K390-A433 HydrophobicContact CG-CB 4.12Å; V393-A433 HydrophobicContact CB-CB 4.08Å; V393-A433 HydrophobicContact CG1-CB 3.77Å; I394-A433 HydrophobicContact CD1-CB 4.34Å; I394-A433 HydrophobicContact CG1-CB 3.77Å; I431-A433 HydrophobicContact CG1-CB 4.42Å; A433-Y435 PolarHBondContact O-N 2.97Å
434L96.6Very high95.2Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans66.4-62.2173.6-49.6178.4000114.6V385 H389 K390 V393 I492 V508 A510 F513V385-L434 HydrophobicContact CB-CD1 4.29Å; V385-L434 HydrophobicContact CG1-CB 4.42Å; V385-L434 HydrophobicContact CG1-CD1 3.96Å; H389-L434 HydrophobicContact CB-CD1 3.65Å; K390-L434 HydrophobicContact CB-CD1 4.46Å; V393-L434 HydrophobicContact CG2-CD1 4.13Å; V393-L434 HydrophobicContact CG2-CD2 4.1Å; V393-L434 HydrophobicContact CG2-CG 4.12Å; L434-I492 WeakPolarHBondContact O-CB 3.32Å; L434-I492 WeakPolarHBondContact O-CG2 3.42Å; L434-V508 VanDerWaalsContact CA-O 3.26Å; L434-V508 WeakPolarHBondContact CA-O 3.48Å; L434-V508 PolarHBondContact N-O 3.49Å; L434-A510 HydrophobicContact CB-CB 4.18Å; L434-A510 PolarHBondContact O-N 3.48Å; L434-F513 HydrophobicContact CD1-CD1 4.47Å; L434-F513 HydrophobicContact CD1-CD2 4.2Å; L434-F513 HydrophobicContact CD1-CE2 4.26Å; L434-F513 HydrophobicContact CD1-CG 4.28Å; L434-F513 HydrophobicContact CD1-CZ 4.39Å; L434-F513 HydrophobicContact CD2-CB 3.75Å; L434-F513 HydrophobicContact CD2-CD2 3.65Å; L434-F513 HydrophobicContact CD2-CE2 4.39Å; L434-F513 HydrophobicContact CD2-CG 3.79Å
435Y95Very high95.1Very high13 Ų1337.5 Ų37.55%0.05119%0.19CC..  trans-156.4158-177.666.3-79.6000110.7I381 V385 E387 K390 A433I381-Y435 HydrophobicContact CD1-CD2 4.37Å; I381-Y435 HydrophobicContact CD1-CG 4.3Å; I381-Y435 HydrophobicContact CG1-CG 4.35Å; I381-Y435 HydrophobicContact CG2-CD1 4.43Å; I381-Y435 HydrophobicContact CG2-CD2 3.98Å; I381-Y435 HydrophobicContact CG2-CE2 4.18Å; I381-Y435 HydrophobicContact CG2-CG 4.13Å; V385-Y435 HydrophobicContact CB-CD1 4.14Å; V385-Y435 HydrophobicContact CB-CE1 4.02Å; V385-Y435 HydrophobicContact CG2-CD1 3.5Å; V385-Y435 HydrophobicContact CG2-CE1 3.74Å; V385-Y435 HydrophobicContact CG2-CG 4.41Å; E387-Y435 VanDerWaalsContact CD-OH 3.25Å; E387-Y435 PolarHBondContact N-OH 2.82Å; E387-Y435 WeakPolarHBondContact OE1-CE2 3.4Å; E387-Y435 PolarHBondContact OE1-OH 3.01Å; K390-Y435 HydrophobicContact CB-CE1 4.48Å; K390-Y435 HydrophobicContact CD-CE1 4.44Å; K390-Y435 WeakPolarHBondContact CE-O 3.4Å; K390-Y435 PolarHBondContact NZ-O 3.15Å; A433-Y435 PolarHBondContact O-N 2.97Å
436S91.6Very high95Very high37 Ų3742.3 Ų42.326%0.25922%0.216SC..SBendtrans-73.8-74.7170.2510000110.1K390 T440K390-S436 PolarHBondContact NZ-O 3.5Å; S436-T440 WeakPolarHBondContact OG-CB 3.36Å; S436-T440 VanDerWaalsContact OG-CG2 3.28Å; S436-T440 WeakPolarHBondContact OG-CG2 3.16Å; S436-T440 PolarHBondContact OG-OG1 3.22Å
437D89.6Confident94.7Very high69 Ų6944.2 Ų44.237%0.36923%0.226SC..  trans-165.7166.517555.362.5000109.9K439 T440D437-K439 PolarHBondContact O-N 2.74Å; D437-K439 WeakPolarHBondContact OD1-CA 3.33Å; D437-K439 WeakPolarHBondContact OD1-CB 3.44Å; D437-K439 PolarHBondContact OD1-N 2.79Å; D437-T440 PolarHBondContact O-N 2.95Å; D437-T440 WeakPolarHBondContact OD1-CB 3.36Å; D437-T440 PolarHBondContact OD1-N 2.79Å; D437-T440 PolarHBondContact OD1-OG1 3.08Å; D437-T440 PolarHBondContact OD2-OG1 3.09Å
438Q88.8Confident94.5Very high84 Ų8442.1 Ų42.139%0.39321%0.211SC..Hα-helixtrans-65.3-27.8179.7-67.4-171.219.100113.1I381 R382 S441 Q442I381-Q438 HydrophobicContact CG2-CG 4.07Å; R382-Q438 VanDerWaalsContact CG-NE2 3.34Å; R382-Q438 VanDerWaalsContact NE-OE1 3.14Å; Q438-S441 PolarHBondContact O-N 3.43Å; Q438-Q442 PolarHBondContact O-N 3.19Å; Q438-Q442 VanDerWaalsContact O-N 3.07Å
439K93.8Very high94.3Very high144 Ų14436.6 Ų36.663%0.62619%0.187SC*.Hα-helixtrans-67.8-40.1-179.2-171.3-173.6-179.3-108.50110.3D437 S441 Q442 E443D437-K439 PolarHBondContact O-N 2.74Å; D437-K439 WeakPolarHBondContact OD1-CA 3.33Å; D437-K439 WeakPolarHBondContact OD1-CB 3.44Å; D437-K439 PolarHBondContact OD1-N 2.79Å; K439-S441 PolarHBondContact O-N 2.98Å; K439-Q442 WeakPolarHBondContact O-CB 3.23Å; K439-Q442 PolarHBondContact O-N 3.32Å; K439-E443 WeakPolarHBondContact CE-OE1 3.37Å; K439-E443 IonicContact NZ-OE1 3.86Å; K439-E443 PolarHBondContact NZ-OE1 3.23Å; K439-E443 WeakPolarHBondContact O-CG 3.33Å; K439-E443 PolarHBondContact O-N 3.38Å
440T93.6Very high94Very high20 Ų2036.8 Ų36.812%0.12319%0.189CC..Hα-helixtrans-59.4-48.2176.4-53.50000110.7S436 D437 Q442 E443 K444 P485S436-T440 WeakPolarHBondContact OG-CB 3.36Å; S436-T440 VanDerWaalsContact OG-CG2 3.28Å; S436-T440 WeakPolarHBondContact OG-CG2 3.16Å; S436-T440 PolarHBondContact OG-OG1 3.22Å; D437-T440 PolarHBondContact O-N 2.95Å; D437-T440 WeakPolarHBondContact OD1-CB 3.36Å; D437-T440 PolarHBondContact OD1-N 2.79Å; D437-T440 PolarHBondContact OD1-OG1 3.08Å; D437-T440 PolarHBondContact OD2-OG1 3.09Å; T440-Q442 VanDerWaalsContact C-N 3.3Å; T440-Q442 PolarHBondContact O-N 3.46Å; T440-E443 PolarHBondContact O-N 3.49Å; T440-K444 WeakPolarHBondContact O-CG 3.46Å; T440-K444 PolarHBondContact O-N 2.79Å; T440-P485 HydrophobicContact CG2-CB 3.49Å; T440-P485 VanDerWaalsContact CG2-CB 3.49Å; T440-P485 HydrophobicContact CG2-CG 3.65Å
441S93.1Very high93.6Very high0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-64.4-35.7178-530000111.8E377 I381 Q438 K439 E445E377-S441 WeakPolarHBondContact OE1-CB 3.38Å; E377-S441 PolarHBondContact OE1-OG 2.66Å; I381-S441 WeakPolarHBondContact CD1-OG 3.41Å; Q438-S441 PolarHBondContact O-N 3.43Å; K439-S441 PolarHBondContact O-N 2.98Å; S441-E445 WeakPolarHBondContact O-CB 3.22Å; S441-E445 PolarHBondContact O-N 2.91Å
442Q94Very high93.2Very high52 Ų5241.8 Ų41.824%0.24321%0.208CC..Hα-helixtrans-65.9-41.6172.9-171.964.864.200112.6R378 Q438 K439 T440 E445 N446R378-Q442 VanDerWaalsContact CZ-OE1 3.27Å; Q438-Q442 PolarHBondContact O-N 3.19Å; Q438-Q442 VanDerWaalsContact O-N 3.07Å; K439-Q442 WeakPolarHBondContact O-CB 3.23Å; K439-Q442 PolarHBondContact O-N 3.32Å; T440-Q442 VanDerWaalsContact C-N 3.3Å; T440-Q442 PolarHBondContact O-N 3.46Å; Q442-E445 PolarHBondContact NE2-OE2 3.15Å; Q442-E445 PolarHBondContact O-N 2.88Å; Q442-N446 PolarHBondContact NE2-OD1 3.27Å; Q442-N446 WeakPolarHBondContact O-CB 3.36Å; Q442-N446 PolarHBondContact O-N 3.39Å; Q442-N446 PolarHBondContact O-ND2 2.85Å; Q442-N446 PolarHBondContact O-OD1 3.11Å
443E94.8Very high93.1Very high64 Ų6441.7 Ų41.730%0.29921%0.207SC..Hα-helixtrans-61.9-45.2175.7-74.6171.8-176.200110.8K439 T440 E445 N446 L447 P485K439-E443 WeakPolarHBondContact CE-OE1 3.37Å; K439-E443 IonicContact NZ-OE1 3.86Å; K439-E443 PolarHBondContact NZ-OE1 3.23Å; K439-E443 WeakPolarHBondContact O-CG 3.33Å; K439-E443 PolarHBondContact O-N 3.38Å; T440-E443 PolarHBondContact O-N 3.49Å; E443-E445 VanDerWaalsContact C-N 3.34Å; E443-E445 PolarHBondContact O-N 3.47Å; E443-N446 PolarHBondContact O-N 3.26Å; E443-L447 VanDerWaalsContact O-CG 3.27Å; E443-L447 WeakPolarHBondContact O-CG 3.25Å; E443-L447 PolarHBondContact O-N 3.25Å; E443-P485 HydrophobicContact CB-CG 3.97Å; E443-P485 VanDerWaalsContact OE2-CD 3.26Å; E443-P485 WeakPolarHBondContact OE2-CD 3.35Å
444K94.4Very high92.9Very high6 Ų646.1 Ų46.13%0.02624%0.235CC..Hα-helixtrans-61.1-41.3174.7-68.4179.2-179.8-179.70112.6W374 T440 L447 S448 P485 S486 E489W374-K444 HydrophobicContact CB-CB 4.33Å; W374-K444 HydrophobicContact CD2-CB 3.61Å; W374-K444 HydrophobicContact CD2-CD 3.91Å; W374-K444 HydrophobicContact CD2-CG 4.4Å; W374-K444 HydrophobicContact CE3-CB 3.99Å; W374-K444 HydrophobicContact CE3-CD 3.53Å; W374-K444 HydrophobicContact CE3-CG 4.44Å; W374-K444 HydrophobicContact CG-CB 3.72Å; W374-K444 HydrophobicContact CH2-CD 3.69Å; W374-K444 HydrophobicContact CZ2-CD 4.02Å; W374-K444 HydrophobicContact CZ3-CD 3.43Å; W374-K444 VanDerWaalsContact CZ3-CD 3.43Å; T440-K444 WeakPolarHBondContact O-CG 3.46Å; T440-K444 PolarHBondContact O-N 2.79Å; K444-L447 PolarHBondContact O-N 2.65Å; K444-S448 PolarHBondContact O-N 2.83Å; K444-P485 HydrophobicContact CD-CB 4.37Å; K444-P485 HydrophobicContact CG-CB 3.91Å; K444-P485 HydrophobicContact CG-CG 3.86Å; K444-S486 WeakPolarHBondContact CE-O 3.17Å; K444-E489 WeakPolarHBondContact CE-OE2 3.44Å; K444-E489 IonicContact NZ-OE2 2.88Å; K444-E489 PolarHBondContact NZ-OE2 2.82Å
445E94Very high92.9Very high3 Ų346.4 Ų46.41%0.01424%0.237CC..Hα-helixtrans-62-46.8175.5-170.5-175.7-123.700111.5H113 W374 T375 R378 S441 Q442 E443 L447 S448 L451H113-E445 IonicContact CE1-OE2 3.73Å; H113-E445 PolarHBondContact CE1-OE2 2.66Å; H113-E445 IonicContact CG-OE1 3.21Å; H113-E445 IonicContact CG-OE2 2.92Å; H113-E445 IonicContact ND1-OE1 3.59Å; H113-E445 PolarHBondContact ND1-OE1 2.63Å; H113-E445 IonicContact ND1-OE2 2.99Å; H113-E445 PolarHBondContact ND1-OE2 2.9Å; W374-E445 HydrophobicContact CB-CB 3.69Å; W374-E445 HydrophobicContact CB-CG 4.28Å; T375-E445 WeakPolarHBondContact CA-OE1 3.28Å; T375-E445 WeakPolarHBondContact CB-OE1 3.09Å; T375-E445 PolarHBondContact OG1-OE1 3.03Å; R378-E445 IonicContact CZ-OE1 2.93Å; R378-E445 IonicContact CZ-OE2 2.65Å; R378-E445 VanDerWaalsContact NE-CD 3.27Å; R378-E445 IonicContact NE-OE1 3.61Å; R378-E445 PolarHBondContact NE-OE1 3.29Å; R378-E445 IonicContact NE-OE2 3.93Å; R378-E445 PolarHBondContact NE-OE2 2.97Å; R378-E445 IonicContact NH1-OE2 3.64Å; R378-E445 VanDerWaalsContact NH2-CD 3.3Å; R378-E445 IonicContact NH2-OE1 2.68Å; R378-E445 PolarHBondContact NH2-OE1 3.38Å; R378-E445 IonicContact NH2-OE2 3.79Å; R378-E445 PolarHBondContact NH2-OE2 3.25Å; S441-E445 WeakPolarHBondContact O-CB 3.22Å; S441-E445 PolarHBondContact O-N 2.91Å; Q442-E445 PolarHBondContact NE2-OE2 3.15Å; Q442-E445 PolarHBondContact O-N 2.88Å; E443-E445 VanDerWaalsContact C-N 3.34Å; E443-E445 PolarHBondContact O-N 3.47Å; E445-L447 VanDerWaalsContact C-N 3.26Å; E445-L447 PolarHBondContact O-N 3.5Å; E445-S448 WeakPolarHBondContact O-CB 3.45Å; E445-S448 PolarHBondContact O-N 3.47Å; E445-S448 VanDerWaalsContact O-N 3.1Å; E445-L451 VanDerWaalsContact O-CD1 3.3Å; E445-L451 WeakPolarHBondContact O-CD1 3.42Å
446N92.9Very high92.9Very high101 Ų10151.4 Ų51.454%0.5426%0.256SS..Hα-helixtrans-65.1-29.3179.4-67.3-9.4000112.8Q442 E443 S448Q442-N446 PolarHBondContact NE2-OD1 3.27Å; Q442-N446 WeakPolarHBondContact O-CB 3.36Å; Q442-N446 PolarHBondContact O-N 3.39Å; Q442-N446 PolarHBondContact O-ND2 2.85Å; Q442-N446 PolarHBondContact O-OD1 3.11Å; E443-N446 PolarHBondContact O-N 3.26Å; N446-S448 VanDerWaalsContact C-N 3.32Å
447L92.4Very high93.1Very high41 Ų4152.7 Ų52.722%0.21526%0.261CS..Hα-helixtrans-74.2-23.3175.9-73.5172.2000112.8E443 K444 E445 K477 Y483 P487E443-L447 VanDerWaalsContact O-CG 3.27Å; E443-L447 WeakPolarHBondContact O-CG 3.25Å; E443-L447 PolarHBondContact O-N 3.25Å; K444-L447 PolarHBondContact O-N 2.65Å; E445-L447 VanDerWaalsContact C-N 3.26Å; E445-L447 PolarHBondContact O-N 3.5Å; L447-K477 PolarHBondContact O-NZ 3.03Å; L447-Y483 HydrophobicContact CD1-CD2 4.08Å; L447-Y483 HydrophobicContact CD1-CG 4.01Å; L447-Y483 HydrophobicContact CD2-CD1 4.2Å; L447-Y483 HydrophobicContact CD2-CD2 4.1Å; L447-Y483 HydrophobicContact CD2-CE1 4.05Å; L447-Y483 HydrophobicContact CD2-CE2 3.93Å; L447-Y483 HydrophobicContact CD2-CG 4.24Å; L447-P487 HydrophobicContact CB-CG 4.36Å
448S92.8Very high93.4Very high15 Ų1553.6 Ų53.611%0.10527%0.267CS..  trans-71.8130.6-174.4-172.50000112.5K444 E445 N446 V450 D474K444-S448 PolarHBondContact O-N 2.83Å; E445-S448 WeakPolarHBondContact O-CB 3.45Å; E445-S448 PolarHBondContact O-N 3.47Å; E445-S448 VanDerWaalsContact O-N 3.1Å; N446-S448 VanDerWaalsContact C-N 3.32Å; S448-V450 PolarHBondContact O-N 3.22Å; S448-V450 WeakPolarHBondContact OG-CG1 3.45Å; S448-V450 PolarHBondContact OG-N 2.81Å; S448-D474 VanDerWaalsContact CA-OD2 3.3Å; S448-D474 WeakPolarHBondContact CA-OD2 3.41Å; S448-D474 PolarHBondContact OG-OD2 3.31Å
449T93.6Very high93.7Very high2 Ų250.7 Ų50.71%0.01225%0.254CS..G310 helixtrans-72.4-14.5-179.4-56.40000111.8L451 Q452 Y453 A470 I473 D474 K477T449-L451 PolarHBondContact O-N 2.81Å; T449-L451 VanDerWaalsContact O-N 3.09Å; T449-Q452 HydrophobicContact CG2-CG 4.4Å; T449-Q452 WeakPolarHBondContact O-CB 3.4Å; T449-Q452 PolarHBondContact O-N 2.91Å; T449-Y453 HydrophobicContact CG2-CE2 4.11Å; T449-A470 HydrophobicContact CG2-CB 4.26Å; T449-I473 HydrophobicContact CG2-CB 4.21Å; T449-I473 HydrophobicContact CG2-CD1 4.06Å; T449-I473 HydrophobicContact CG2-CG2 3.96Å; T449-D474 WeakPolarHBondContact CB-OD1 3.11Å; T449-D474 VanDerWaalsContact N-CG 3.33Å; T449-D474 PolarHBondContact N-OD1 2.63Å; T449-D474 PolarHBondContact N-OD2 3.43Å; T449-D474 VanDerWaalsContact N-OD2 3.08Å; T449-D474 PolarHBondContact OG1-OD1 2.67Å; T449-K477 PolarHBondContact OG1-NZ 3Å
450V93.1Very high93.8Very high8 Ų843.9 Ų43.95%0.04822%0.224CC..G310 helixtrans-58.5-28.3179.375.60000112.1F372 S448 Q452 Y453 I467 A470F372-V450 HydrophobicContact CD1-CG1 4.32Å; F372-V450 HydrophobicContact CE1-CG1 4.15Å; F372-V450 HydrophobicContact CE1-CG2 3.96Å; F372-V450 HydrophobicContact CZ-CG2 3.99Å; S448-V450 PolarHBondContact O-N 3.22Å; S448-V450 WeakPolarHBondContact OG-CG1 3.45Å; S448-V450 PolarHBondContact OG-N 2.81Å; V450-Q452 PolarHBondContact O-N 2.96Å; V450-Y453 PolarHBondContact O-N 3.2Å; V450-Y453 VanDerWaalsContact O-N 3.11Å; V450-I467 HydrophobicContact CG2-CG1 3.88Å; V450-A470 HydrophobicContact CB-CB 4.13Å
451L88.3Confident93.9Very high47 Ų4743.1 Ų43.125%0.24622%0.219CC..G310 helixtrans-65.8-19.2178.5-60.3-177.2000113.6H113 E445 T449 Y453H113-L451 HydrophobicContact CB-CD2 4.34Å; H113-L451 VanDerWaalsContact CD2-CD2 3.4Å; H113-L451 WeakPolarHBondContact CD2-CD2 3.4Å; E445-L451 VanDerWaalsContact O-CD1 3.3Å; E445-L451 WeakPolarHBondContact O-CD1 3.42Å; T449-L451 PolarHBondContact O-N 2.81Å; T449-L451 VanDerWaalsContact O-N 3.09Å; L451-Y453 PolarHBondContact O-N 3.31Å
452Q91.2Very high94.1Very high128 Ų12844.3 Ų44.360%0.59823%0.225SC*.G310 helixtrans-76.7-12.9176.5-58.6-17910.600112.5T449 V450T449-Q452 HydrophobicContact CG2-CG 4.4Å; T449-Q452 WeakPolarHBondContact O-CB 3.4Å; T449-Q452 PolarHBondContact O-N 2.91Å; V450-Q452 PolarHBondContact O-N 2.96Å
453Y93.2Very high94.3Very high38 Ų3841.9 Ų41.915%0.14921%0.214CC..SBendtrans-112.3104.9-176.8-58.1-70.9000110.4T449 V450 L451 M455 Y466 A470T449-Y453 HydrophobicContact CG2-CE2 4.11Å; V450-Y453 PolarHBondContact O-N 3.2Å; V450-Y453 VanDerWaalsContact O-N 3.11Å; L451-Y453 PolarHBondContact O-N 3.31Å; Y453-M455 WeakPolarHBondContact O-CE 3.23Å; Y453-M455 PolarHBondContact O-N 3.44Å; Y453-Y466 AromaticContact CD1-CD1 3.41Å; Y453-Y466 HydrophobicContact CD1-CD1 3.41Å; Y453-Y466 VanDerWaalsContact CD1-CD1 3.41Å; Y453-Y466 HydrophobicContact CD1-CD2 4.32Å; Y453-Y466 AromaticContact CD1-CE1 3.97Å; Y453-Y466 HydrophobicContact CD1-CE1 3.97Å; Y453-Y466 AromaticContact CD1-CG 3.64Å; Y453-Y466 HydrophobicContact CD1-CG 3.64Å; Y453-Y466 AromaticContact CE1-CD1 3.53Å; Y453-Y466 HydrophobicContact CE1-CD1 3.53Å; Y453-Y466 AromaticContact CE1-CE1 3.99Å; Y453-Y466 HydrophobicContact CE1-CE1 3.99Å; Y453-Y466 HydrophobicContact CE1-CG 4.21Å; Y453-Y466 HydrophobicContact CG-CD1 4.09Å; Y453-Y466 AromaticContact CG-CG 3.92Å; Y453-Y466 HydrophobicContact CG-CG 3.92Å; Y453-A470 HydrophobicContact CD2-CB 4.07Å; Y453-A470 HydrophobicContact CE2-CB 3.92Å
454P93.2Very high94.3Very high96 Ų9639 Ų3962%0.62320%0.201SC*.  trans-67121.3176.426.2-32.6000110.4
455M96.5Very high94.3Very high6 Ų639.2 Ų39.23%0.0320%0.201CC..  trans-70140.6-179.3-65-64.8101.100111.5N116 K119 F120 F372 Y453 N463 I467N116-M455 HydrophobicContact CB-CB 4.44Å; N116-M455 HydrophobicContact CB-CG 4.16Å; N116-M455 WeakPolarHBondContact O-CB 3.43Å; N116-M455 WeakPolarHBondContact O-CG 3.31Å; K119-M455 HydrophobicContact CB-CB 3.87Å; K119-M455 WeakPolarHBondContact CD-O 3.33Å; F120-M455 HydrophobicContact CB-CB 4.39Å; F120-M455 HydrophobicContact CB-CG 4.04Å; F120-M455 HydrophobicContact CB-SD 4.11Å; F120-M455 HydrophobicContact CD2-SD 4.1Å; F120-M455 HydrophobicContact CG-SD 4.49Å; F372-M455 HydrophobicContact CE2-CG 4.35Å; F372-M455 HydrophobicContact CE2-SD 4.43Å; F372-M455 HydrophobicContact CZ-CG 3.64Å; F372-M455 HydrophobicContact CZ-SD 3.98Å; Y453-M455 WeakPolarHBondContact O-CE 3.23Å; Y453-M455 PolarHBondContact O-N 3.44Å; M455-N463 HydrophobicContact CE-CB 4.42Å; M455-N463 HydrophobicContact SD-CB 3.61Å; M455-I467 HydrophobicContact CE-CG1 4.47Å; M455-I467 HydrophobicContact SD-CD1 4Å; M455-I467 HydrophobicContact SD-CG1 4.32Å
456R96.2Very high94.4Very high119 Ų11942.7 Ų42.745%0.44922%0.215SC..  trans-110.7127.8-178.4-67.7-176.765.4126.6-0.7111.7S123 D458 N459 N463S123-R456 WeakPolarHBondContact CB-O 3.47Å; R456-D458 WeakPolarHBondContact CB-OD1 3.22Å; R456-D458 IonicContact CZ-OD1 3.84Å; R456-D458 IonicContact CZ-OD2 3.64Å; R456-D458 IonicContact NE-OD1 3.9Å; R456-D458 PolarHBondContact NE-OD1 3.21Å; R456-D458 IonicContact NE-OD2 3.72Å; R456-D458 IonicContact NH2-OD1 3.38Å; R456-D458 PolarHBondContact NH2-OD1 2.75Å; R456-D458 IonicContact NH2-OD2 3.19Å; R456-D458 PolarHBondContact NH2-OD2 3.38Å; R456-D458 PolarHBondContact O-N 3.17Å; R456-N459 HydrophobicContact CB-CB 4.46Å; R456-N459 PolarHBondContact O-N 2.9Å; R456-N463 PolarHBondContact N-ND2 3.44Å; R456-N463 PolarHBondContact N-OD1 3.35Å; R456-N463 PolarHBondContact O-ND2 3.27Å
457V95Very high94.5Very high63 Ų6338 Ų3838%0.38219%0.19SC..THydrogen-bonded Turntrans-66.4-29.3178.2-178.20000111.9K119 K122 S123 T127K119-V457 HydrophobicContact CB-CG2 3.85Å; K119-V457 HydrophobicContact CD-CG2 4.47Å; K119-V457 HydrophobicContact CG-CG2 3.7Å; K122-V457 HydrophobicContact CB-CG1 3.99Å; S123-V457 VanDerWaalsContact CA-O 3.3Å; S123-V457 WeakPolarHBondContact CA-O 3.38Å; S123-V457 WeakPolarHBondContact CB-O 3.3Å; T127-V457 WeakPolarHBondContact CG2-O 3.28Å
458D95.5Very high94.6Very high89 Ų8937.5 Ų37.548%0.47619%0.185SC..THydrogen-bonded Turntrans-87.6-1-17468.2-26000114.2R456R456-D458 WeakPolarHBondContact CB-OD1 3.22Å; R456-D458 IonicContact CZ-OD1 3.84Å; R456-D458 IonicContact CZ-OD2 3.64Å; R456-D458 IonicContact NE-OD1 3.9Å; R456-D458 PolarHBondContact NE-OD1 3.21Å; R456-D458 IonicContact NE-OD2 3.72Å; R456-D458 IonicContact NH2-OD1 3.38Å; R456-D458 PolarHBondContact NH2-OD1 2.75Å; R456-D458 IonicContact NH2-OD2 3.19Å; R456-D458 PolarHBondContact NH2-OD2 3.38Å; R456-D458 PolarHBondContact O-N 3.17Å
459N96.5Very high94.6Very high23 Ų2338.1 Ų38.112%0.12319%0.186CC..  trans-151.287.1-173.2-163.1-26.8000114.3T136 R456 Y461 L462 N463T136-N459 VanDerWaalsContact OG1-CG 3.3Å; T136-N459 PolarHBondContact OG1-ND2 3.31Å; T136-N459 PolarHBondContact OG1-OD1 3.12Å; R456-N459 HydrophobicContact CB-CB 4.46Å; R456-N459 PolarHBondContact O-N 2.9Å; N459-Y461 PolarHBondContact OD1-N 3.01Å; N459-L462 HydrophobicContact CB-CB 4.09Å; N459-L462 WeakPolarHBondContact ND2-CB 3.49Å; N459-L462 VanDerWaalsContact OD1-CB 3.29Å; N459-L462 WeakPolarHBondContact OD1-CB 3.32Å; N459-L462 PolarHBondContact OD1-N 3.42Å; N459-N463 VanDerWaalsContact O-CG 3.22Å; N459-N463 PolarHBondContact O-N 3.08Å; N459-N463 PolarHBondContact O-ND2 3.47Å
460Y95.9Very high94.7Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-58.7-46.7174.4175.6-122.9000113.5F120 S123 C124 T127 R128 L341 L462 N463 E464F120-Y460 HydrophobicContact CE2-CD2 4.1Å; F120-Y460 AromaticContact CE2-CE2 3.83Å; F120-Y460 HydrophobicContact CE2-CE2 3.83Å; F120-Y460 AromaticContact CZ-CE2 3.89Å; F120-Y460 HydrophobicContact CZ-CE2 3.89Å; S123-Y460 WeakPolarHBondContact O-CB 3.45Å; S123-Y460 WeakPolarHBondContact OG-CA 3.38Å; C124-Y460 VanDerWaalsContact CA-CD2 3.45Å; C124-Y460 HydrophobicContact CB-CD2 3.54Å; C124-Y460 HydrophobicContact CB-CE2 3.6Å; C124-Y460 HydrophobicContact CB-CG 4.26Å; T127-Y460 WeakPolarHBondContact OG1-CB 3.5Å; T127-Y460 PolarHBondContact OG1-N 2.83Å; R128-Y460 HydrophobicContact CB-CD1 4.17Å; R128-Y460 HydrophobicContact CG-CD1 4.25Å; R128-Y460 HydrophobicContact CG-CE1 4.33Å; L341-Y460 HydrophobicContact CB-CE1 4.03Å; L341-Y460 PolarHBondContact N-OH 3.49Å; Y460-L462 VanDerWaalsContact C-N 3.3Å; Y460-L462 PolarHBondContact O-N 2.84Å; Y460-N463 WeakPolarHBondContact O-CB 3.47Å; Y460-N463 PolarHBondContact O-N 3.44Å; Y460-E464 HydrophobicContact CD1-CG 4.46Å; Y460-E464 HydrophobicContact CD2-CG 3.99Å; Y460-E464 HydrophobicContact CE1-CG 3.94Å; Y460-E464 HydrophobicContact CE2-CG 3.39Å; Y460-E464 WeakPolarHBondContact CE2-OE1 3.41Å; Y460-E464 HydrophobicContact CG-CG 4.47Å; Y460-E464 VanDerWaalsContact CZ-OE1 3.3Å; Y460-E464 PolarHBondContact O-N 3.19Å; Y460-E464 VanDerWaalsContact OH-CD 3.22Å; Y460-E464 WeakPolarHBondContact OH-CG 3.43Å; Y460-E464 PolarHBondContact OH-OE1 2.96Å
461Y96.2Very high94.7Very high4 Ų441 Ų412%0.01620%0.198CC..Hα-helixtrans-67.8-31.3-172.8-62.2-73.2000112.8D129 T132 T133 Y137 N459 F465D129-Y461 WeakPolarHBondContact O-CE2 3.38Å; T132-Y461 HydrophobicContact CG2-CD2 3.99Å; T132-Y461 HydrophobicContact CG2-CE2 4.49Å; T133-Y461 HydrophobicContact CG2-CD1 4.22Å; T133-Y461 HydrophobicContact CG2-CD2 4.44Å; T133-Y461 HydrophobicContact CG2-CE1 4.09Å; T133-Y461 HydrophobicContact CG2-CE2 4.3Å; T133-Y461 HydrophobicContact CG2-CG 4.4Å; T133-Y461 WeakPolarHBondContact OG1-CE2 3.1Å; T133-Y461 PolarHBondContact OG1-OH 2.85Å; Y137-Y461 HydrophobicContact CE2-CD1 4.32Å; N459-Y461 PolarHBondContact OD1-N 3.01Å; Y461-F465 WeakPolarHBondContact O-CB 3.45Å; Y461-F465 PolarHBondContact O-N 3.41Å; Y461-F465 VanDerWaalsContact O-N 3.11Å
462L96.7Very high95Very high26 Ų2639.6 Ų39.614%0.13619%0.189CC..Hα-helixtrans-73.7-39.6174.7-175.361.6000110.9T136 L140 N459 Y460 F465 Y466T136-L462 HydrophobicContact CG2-CB 3.84Å; T136-L462 HydrophobicContact CG2-CD1 4.47Å; L140-L462 HydrophobicContact CD2-CD1 4.11Å; N459-L462 HydrophobicContact CB-CB 4.09Å; N459-L462 WeakPolarHBondContact ND2-CB 3.49Å; N459-L462 VanDerWaalsContact OD1-CB 3.29Å; N459-L462 WeakPolarHBondContact OD1-CB 3.32Å; N459-L462 PolarHBondContact OD1-N 3.42Å; Y460-L462 VanDerWaalsContact C-N 3.3Å; Y460-L462 PolarHBondContact O-N 2.84Å; L462-F465 HydrophobicContact CD1-CD1 4.35Å; L462-F465 WeakPolarHBondContact O-CB 3.38Å; L462-F465 PolarHBondContact O-N 3.43Å; L462-Y466 HydrophobicContact CD1-CD2 4.15Å; L462-Y466 HydrophobicContact CD1-CE2 3.53Å; L462-Y466 HydrophobicContact CD2-CE2 4.04Å; L462-Y466 HydrophobicContact CG-CD2 3.96Å; L462-Y466 HydrophobicContact CG-CE2 3.51Å; L462-Y466 WeakPolarHBondContact O-CD2 2.88Å; L462-Y466 PolarHBondContact O-N 3.35Å; L462-Y466 VanDerWaalsContact O-N 3.08Å
463N97Very high95.2Very high1 Ų133.7 Ų33.71%0.00516%0.162CC..Hα-helixtrans-61.3-47.3174.1-65.5-24.3000111.3F120 S123 M455 R456 N459 Y460 F465 Y466 I467F120-N463 HydrophobicContact CD2-CB 3.76Å; F120-N463 HydrophobicContact CE2-CB 4.16Å; S123-N463 PolarHBondContact OG-ND2 2.83Å; M455-N463 HydrophobicContact CE-CB 4.42Å; M455-N463 HydrophobicContact SD-CB 3.61Å; R456-N463 PolarHBondContact N-ND2 3.44Å; R456-N463 PolarHBondContact N-OD1 3.35Å; R456-N463 PolarHBondContact O-ND2 3.27Å; N459-N463 VanDerWaalsContact O-CG 3.22Å; N459-N463 PolarHBondContact O-N 3.08Å; N459-N463 PolarHBondContact O-ND2 3.47Å; Y460-N463 WeakPolarHBondContact O-CB 3.47Å; Y460-N463 PolarHBondContact O-N 3.44Å; N463-F465 VanDerWaalsContact C-N 3.32Å; N463-F465 PolarHBondContact O-N 3.12Å; N463-Y466 PolarHBondContact O-N 3.39Å; N463-I467 WeakPolarHBondContact O-CB 3.42Å; N463-I467 WeakPolarHBondContact O-CD1 3.49Å; N463-I467 WeakPolarHBondContact O-CG1 3.21Å; N463-I467 PolarHBondContact O-N 2.96Å
464E95.3Very high95.2Very high4 Ų432.4 Ų32.42%0.01916%0.157CC..Hα-helixtrans-55.4-46.2175.5-83.1-69.1152.800112.3F120 A340 Y460 Y466 I467 R468F120-E464 HydrophobicContact CE2-CG 4.37Å; F120-E464 VanDerWaalsContact CZ-OE1 3.24Å; F120-E464 WeakPolarHBondContact CZ-OE1 3.46Å; A340-E464 HydrophobicContact CB-CG 4.4Å; Y460-E464 HydrophobicContact CD1-CG 4.46Å; Y460-E464 HydrophobicContact CD2-CG 3.99Å; Y460-E464 HydrophobicContact CE1-CG 3.94Å; Y460-E464 HydrophobicContact CE2-CG 3.39Å; Y460-E464 WeakPolarHBondContact CE2-OE1 3.41Å; Y460-E464 HydrophobicContact CG-CG 4.47Å; Y460-E464 VanDerWaalsContact CZ-OE1 3.3Å; Y460-E464 PolarHBondContact O-N 3.19Å; Y460-E464 VanDerWaalsContact OH-CD 3.22Å; Y460-E464 WeakPolarHBondContact OH-CG 3.43Å; Y460-E464 PolarHBondContact OH-OE1 2.96Å; E464-Y466 VanDerWaalsContact C-N 3.35Å; E464-Y466 PolarHBondContact O-N 2.97Å; E464-I467 PolarHBondContact O-N 3.21Å; E464-R468 WeakPolarHBondContact O-CG 3.44Å; E464-R468 PolarHBondContact O-N 3.2Å
465F95.4Very high95.3Very high9 Ų929.1 Ų29.14%0.03914%0.136CC..Hα-helixtrans-56.7-47.9176.4170.4-96.6000111.7L140 L144 H173 F332 Y461 L462 N463 R468 K469L140-F465 HydrophobicContact CD1-CB 4.17Å; L140-F465 HydrophobicContact CD1-CD1 4.21Å; L140-F465 HydrophobicContact CD1-CD2 3.84Å; L140-F465 HydrophobicContact CD1-CE2 4.19Å; L140-F465 HydrophobicContact CD1-CG 3.81Å; L140-F465 HydrophobicContact CD1-CZ 4.49Å; L140-F465 HydrophobicContact CD2-CD1 3.92Å; L140-F465 HydrophobicContact CD2-CE1 3.61Å; L140-F465 HydrophobicContact CD2-CE2 4.24Å; L140-F465 HydrophobicContact CD2-CG 4.33Å; L140-F465 HydrophobicContact CD2-CZ 3.75Å; L144-F465 HydrophobicContact CD1-CE2 4.19Å; L144-F465 HydrophobicContact CD1-CZ 4.04Å; H173-F465 AromaticContact CD2-CE1 3.93Å; H173-F465 AromaticContact CD2-CE2 3.31Å; H173-F465 WeakPolarHBondContact CD2-CE2 3.36Å; H173-F465 AromaticContact CD2-CZ 3.18Å; H173-F465 WeakPolarHBondContact CD2-CZ 3.45Å; H173-F465 AromaticContact CE1-CZ 3.8Å; H173-F465 AromaticContact CG-CE2 3.83Å; H173-F465 AromaticContact NE2-CE1 3.81Å; H173-F465 AromaticContact NE2-CE2 3.6Å; H173-F465 AromaticContact NE2-CZ 3.02Å; H173-F465 WeakPolarHBondContact NE2-CZ 3.21Å; F332-F465 HydrophobicContact CE2-CD2 4.4Å; F332-F465 AromaticContact CE2-CE2 3.93Å; F332-F465 HydrophobicContact CE2-CE2 3.93Å; F332-F465 HydrophobicContact CZ-CD2 4.42Å; F332-F465 HydrophobicContact CZ-CE2 4.12Å; Y461-F465 WeakPolarHBondContact O-CB 3.45Å; Y461-F465 PolarHBondContact O-N 3.41Å; Y461-F465 VanDerWaalsContact O-N 3.11Å; L462-F465 HydrophobicContact CD1-CD1 4.35Å; L462-F465 WeakPolarHBondContact O-CB 3.38Å; L462-F465 PolarHBondContact O-N 3.43Å; N463-F465 VanDerWaalsContact C-N 3.32Å; N463-F465 PolarHBondContact O-N 3.12Å; F465-R468 PolarHBondContact O-N 3.31Å; F465-K469 PolarHBondContact O-N 3.21Å; F465-K469 VanDerWaalsContact O-N 3.12Å
466Y95.9Very high95.2Very high76 Ų7628.9 Ų28.930%0.29814%0.135SC..Hα-helixtrans-68.9-37.5177.7-71.4-49.4000113.6Y453 L462 N463 E464 R468 K469 A470Y453-Y466 AromaticContact CD1-CD1 3.41Å; Y453-Y466 HydrophobicContact CD1-CD1 3.41Å; Y453-Y466 VanDerWaalsContact CD1-CD1 3.41Å; Y453-Y466 HydrophobicContact CD1-CD2 4.32Å; Y453-Y466 AromaticContact CD1-CE1 3.97Å; Y453-Y466 HydrophobicContact CD1-CE1 3.97Å; Y453-Y466 AromaticContact CD1-CG 3.64Å; Y453-Y466 HydrophobicContact CD1-CG 3.64Å; Y453-Y466 AromaticContact CE1-CD1 3.53Å; Y453-Y466 HydrophobicContact CE1-CD1 3.53Å; Y453-Y466 AromaticContact CE1-CE1 3.99Å; Y453-Y466 HydrophobicContact CE1-CE1 3.99Å; Y453-Y466 HydrophobicContact CE1-CG 4.21Å; Y453-Y466 HydrophobicContact CG-CD1 4.09Å; Y453-Y466 AromaticContact CG-CG 3.92Å; Y453-Y466 HydrophobicContact CG-CG 3.92Å; L462-Y466 HydrophobicContact CD1-CD2 4.15Å; L462-Y466 HydrophobicContact CD1-CE2 3.53Å; L462-Y466 HydrophobicContact CD2-CE2 4.04Å; L462-Y466 HydrophobicContact CG-CD2 3.96Å; L462-Y466 HydrophobicContact CG-CE2 3.51Å; L462-Y466 WeakPolarHBondContact O-CD2 2.88Å; L462-Y466 PolarHBondContact O-N 3.35Å; L462-Y466 VanDerWaalsContact O-N 3.08Å; N463-Y466 PolarHBondContact O-N 3.39Å; E464-Y466 VanDerWaalsContact C-N 3.35Å; E464-Y466 PolarHBondContact O-N 2.97Å; Y466-R468 VanDerWaalsContact C-N 3.31Å; Y466-R468 PolarHBondContact O-N 2.98Å; Y466-K469 PolarHBondContact O-N 2.98Å; Y466-A470 WeakPolarHBondContact O-CB 3.38Å; Y466-A470 PolarHBondContact O-N 3.15Å
467I95.3Very high95Very high3 Ų324.5 Ų24.52%0.01512%0.119CC..Hα-helixtrans-60.9-42.5176.4-76.9157.9000110.7F120 A371 F372 V450 M455 N463 E464 A470 K471F120-I467 HydrophobicContact CD2-CD1 3.33Å; F120-I467 HydrophobicContact CE1-CD1 4.41Å; F120-I467 HydrophobicContact CE2-CD1 3.13Å; F120-I467 HydrophobicContact CG-CD1 4.05Å; F120-I467 HydrophobicContact CZ-CD1 3.71Å; A371-I467 HydrophobicContact CB-CD1 3.57Å; A371-I467 HydrophobicContact CB-CG1 4.07Å; A371-I467 HydrophobicContact CB-CG2 3.82Å; F372-I467 HydrophobicContact CE2-CD1 4.29Å; V450-I467 HydrophobicContact CG2-CG1 3.88Å; M455-I467 HydrophobicContact CE-CG1 4.47Å; M455-I467 HydrophobicContact SD-CD1 4Å; M455-I467 HydrophobicContact SD-CG1 4.32Å; N463-I467 WeakPolarHBondContact O-CB 3.42Å; N463-I467 WeakPolarHBondContact O-CD1 3.49Å; N463-I467 WeakPolarHBondContact O-CG1 3.21Å; N463-I467 PolarHBondContact O-N 2.96Å; E464-I467 PolarHBondContact O-N 3.21Å; I467-A470 PolarHBondContact O-N 3.22Å; I467-K471 HydrophobicContact CG2-CD 4.28Å; I467-K471 WeakPolarHBondContact O-CG 3.47Å; I467-K471 PolarHBondContact O-N 3.03Å
468R93.2Very high94.9Very high31 Ų3121.8 Ų21.812%0.11710%0.102CC..Hα-helixtrans-68.2-43.6177.6-69.8-169.3-155.1160.413.8112.7Q335 Q336 H339 A340 E464 F465 Y466 A470 K471 Y472Q335-R468 PolarHBondContact O-NH1 2.83Å; Q336-R468 PolarHBondContact O-NH2 3.03Å; H339-R468 PolarHBondContact O-NH2 2.87Å; A340-R468 VanDerWaalsContact CB-NH2 3.33Å; E464-R468 WeakPolarHBondContact O-CG 3.44Å; E464-R468 PolarHBondContact O-N 3.2Å; F465-R468 PolarHBondContact O-N 3.31Å; Y466-R468 VanDerWaalsContact C-N 3.31Å; Y466-R468 PolarHBondContact O-N 2.98Å; R468-A470 VanDerWaalsContact C-N 3.29Å; R468-A470 PolarHBondContact O-N 3.25Å; R468-K471 PolarHBondContact O-N 3.41Å; R468-Y472 PolarHBondContact O-N 3.45Å
469K94.4Very high94.8Very high27 Ų2720.8 Ų20.812%0.1179%0.092CC..Hα-helixtrans-54.5-49.9173.2-174.4173.3179.7158.60110.5E286 F465 Y466 K471 Y472 I473E286-K469 WeakPolarHBondContact OE1-CE 3.48Å; E286-K469 IonicContact OE1-NZ 2.7Å; E286-K469 PolarHBondContact OE1-NZ 2.88Å; E286-K469 WeakPolarHBondContact OE2-CE 3.43Å; E286-K469 IonicContact OE2-NZ 3.23Å; E286-K469 PolarHBondContact OE2-NZ 2.92Å; F465-K469 PolarHBondContact O-N 3.21Å; F465-K469 VanDerWaalsContact O-N 3.12Å; Y466-K469 PolarHBondContact O-N 2.98Å; K469-K471 PolarHBondContact O-N 3.31Å; K469-Y472 PolarHBondContact O-N 3.15Å; K469-I473 HydrophobicContact CG-CD1 3.9Å; K469-I473 WeakPolarHBondContact O-CG1 3.45Å; K469-I473 PolarHBondContact O-N 2.9Å
470A94.9Very high94.5Very high1 Ų120.2 Ų20.21%0.0089%0.089CC..Hα-helixtrans-57.1-45.3177.300000112.7T449 V450 Y453 Y466 I467 R468 Y472 I473 D474T449-A470 HydrophobicContact CG2-CB 4.26Å; V450-A470 HydrophobicContact CB-CB 4.13Å; Y453-A470 HydrophobicContact CD2-CB 4.07Å; Y453-A470 HydrophobicContact CE2-CB 3.92Å; Y466-A470 WeakPolarHBondContact O-CB 3.38Å; Y466-A470 PolarHBondContact O-N 3.15Å; I467-A470 PolarHBondContact O-N 3.22Å; R468-A470 VanDerWaalsContact C-N 3.29Å; R468-A470 PolarHBondContact O-N 3.25Å; A470-Y472 VanDerWaalsContact C-N 3.34Å; A470-Y472 PolarHBondContact O-N 2.92Å; A470-I473 PolarHBondContact O-N 3.15Å; A470-D474 WeakPolarHBondContact O-CB 3.04Å; A470-D474 VanDerWaalsContact O-CG 3.23Å; A470-D474 PolarHBondContact O-N 2.78Å
471K93.9Very high94.3Very high70 Ų7024.2 Ų24.230%0.30411%0.106SC..Hα-helixtrans-62.7-39.5177.5-76.4175178.9175.10113.1S370 I467 R468 K469 D474 T475S370-K471 VanDerWaalsContact C-NZ 3.27Å; S370-K471 WeakPolarHBondContact O-CE 3.3Å; S370-K471 PolarHBondContact O-NZ 3.27Å; S370-K471 PolarHBondContact OG-NZ 3.43Å; I467-K471 HydrophobicContact CG2-CD 4.28Å; I467-K471 WeakPolarHBondContact O-CG 3.47Å; I467-K471 PolarHBondContact O-N 3.03Å; R468-K471 PolarHBondContact O-N 3.41Å; K469-K471 PolarHBondContact O-N 3.31Å; K471-D474 PolarHBondContact O-N 3.47Å; K471-T475 WeakPolarHBondContact O-CB 3.37Å; K471-T475 PolarHBondContact O-N 3.26Å; K471-T475 PolarHBondContact O-OG1 2.62Å
472Y94.1Very high93.9Very high18 Ų1829.4 Ų29.47%0.07113%0.134CC..Hα-helixtrans-66.4-45.6176.6179.5-119.6000110.8I171 G175 L182 L283 R468 K469 A470 D474 T475 L476I171-Y472 WeakPolarHBondContact O-CE1 3.42Å; G175-Y472 VanDerWaalsContact CA-OH 3.23Å; G175-Y472 WeakPolarHBondContact CA-OH 3.36Å; L182-Y472 PolarHBondContact O-OH 2.84Å; L283-Y472 HydrophobicContact CD1-CE1 4.05Å; R468-Y472 PolarHBondContact O-N 3.45Å; K469-Y472 PolarHBondContact O-N 3.15Å; A470-Y472 VanDerWaalsContact C-N 3.34Å; A470-Y472 PolarHBondContact O-N 2.92Å; Y472-D474 VanDerWaalsContact C-N 3.34Å; Y472-D474 PolarHBondContact O-N 2.79Å; Y472-T475 WeakPolarHBondContact O-CA 3.48Å; Y472-T475 VanDerWaalsContact O-CB 3.3Å; Y472-T475 WeakPolarHBondContact O-CB 3.49Å; Y472-T475 PolarHBondContact O-N 2.86Å; Y472-T475 VanDerWaalsContact O-N 3.11Å; Y472-L476 HydrophobicContact CD1-CD1 4.25Å; Y472-L476 HydrophobicContact CE1-CD1 3.67Å; Y472-L476 HydrophobicContact CE1-CG 4.28Å; Y472-L476 HydrophobicContact CE2-CD1 4.36Å; Y472-L476 HydrophobicContact CE2-CD2 3.98Å; Y472-L476 HydrophobicContact CE2-CG 4.11Å; Y472-L476 WeakPolarHBondContact O-CG 3.26Å; Y472-L476 PolarHBondContact O-N 3.32Å
473I94.6Very high93.3Very high4 Ų430.9 Ų30.92%0.02114%0.139CC..Hα-helixtrans-59.2-44.5173.8-65.5166.6000111.1E286 T449 K469 A470 T475 L476 K477E286-I473 HydrophobicContact CB-CD1 4.31Å; E286-I473 WeakPolarHBondContact OE2-CD1 3.29Å; T449-I473 HydrophobicContact CG2-CB 4.21Å; T449-I473 HydrophobicContact CG2-CD1 4.06Å; T449-I473 HydrophobicContact CG2-CG2 3.96Å; K469-I473 HydrophobicContact CG-CD1 3.9Å; K469-I473 WeakPolarHBondContact O-CG1 3.45Å; K469-I473 PolarHBondContact O-N 2.9Å; A470-I473 PolarHBondContact O-N 3.15Å; I473-T475 VanDerWaalsContact C-N 3.25Å; I473-T475 PolarHBondContact O-N 2.9Å; I473-L476 PolarHBondContact O-N 3.03Å; I473-L476 VanDerWaalsContact O-N 3.15Å; I473-K477 HydrophobicContact CG2-CD 3.66Å; I473-K477 HydrophobicContact CG2-CG 4.08Å; I473-K477 WeakPolarHBondContact O-CB 3.3Å; I473-K477 WeakPolarHBondContact O-CG 3.45Å; I473-K477 PolarHBondContact O-N 3.43Å
474D94.2Very high92.8Very high10 Ų1038.3 Ų38.35%0.05318%0.178CC..Hα-helixtrans-60.5-37176.5-74.8-15.1000111.6S448 T449 A470 K471 Y472 T478S448-D474 VanDerWaalsContact CA-OD2 3.3Å; S448-D474 WeakPolarHBondContact CA-OD2 3.41Å; S448-D474 PolarHBondContact OG-OD2 3.31Å; T449-D474 WeakPolarHBondContact CB-OD1 3.11Å; T449-D474 VanDerWaalsContact N-CG 3.33Å; T449-D474 PolarHBondContact N-OD1 2.63Å; T449-D474 PolarHBondContact N-OD2 3.43Å; T449-D474 VanDerWaalsContact N-OD2 3.08Å; T449-D474 PolarHBondContact OG1-OD1 2.67Å; A470-D474 WeakPolarHBondContact O-CB 3.04Å; A470-D474 VanDerWaalsContact O-CG 3.23Å; A470-D474 PolarHBondContact O-N 2.78Å; K471-D474 PolarHBondContact O-N 3.47Å; Y472-D474 VanDerWaalsContact C-N 3.34Å; Y472-D474 PolarHBondContact O-N 2.79Å; D474-T478 VanDerWaalsContact O-CB 3.23Å; D474-T478 WeakPolarHBondContact O-CB 3.4Å; D474-T478 PolarHBondContact O-N 3.35Å; D474-T478 PolarHBondContact O-OG1 2.73Å
475T94.1Very high92.5Very high28 Ų2838.7 Ų38.717%0.17218%0.181CC..Hα-helixtrans-62.3-49.1173.1-57.80000111.3K471 Y472 I473 R479 L488K471-T475 WeakPolarHBondContact O-CB 3.37Å; K471-T475 PolarHBondContact O-N 3.26Å; K471-T475 PolarHBondContact O-OG1 2.62Å; Y472-T475 WeakPolarHBondContact O-CA 3.48Å; Y472-T475 VanDerWaalsContact O-CB 3.3Å; Y472-T475 WeakPolarHBondContact O-CB 3.49Å; Y472-T475 PolarHBondContact O-N 2.86Å; Y472-T475 VanDerWaalsContact O-N 3.11Å; I473-T475 VanDerWaalsContact C-N 3.25Å; I473-T475 PolarHBondContact O-N 2.9Å; T475-R479 VanDerWaalsContact O-CG 3.29Å; T475-R479 WeakPolarHBondContact O-CG 3.38Å; T475-R479 PolarHBondContact O-N 3.07Å; T475-L488 HydrophobicContact CG2-CD1 4.33Å
476L94.2Very high92Very high1 Ų139.5 Ų39.51%0.00519%0.188CC..Hα-helixtrans-63.2-50.8178.5-61.2178.8000111.4I184 L283 T287 Y472 I473 T478 R479 L480I184-L476 HydrophobicContact CG1-CD2 3.84Å; L283-L476 HydrophobicContact CD2-CD1 4.5Å; L283-L476 HydrophobicContact CG-CD1 4.26Å; T287-L476 HydrophobicContact CG2-CB 3.64Å; T287-L476 HydrophobicContact CG2-CD1 3.97Å; T287-L476 HydrophobicContact CG2-CG 4.49Å; Y472-L476 HydrophobicContact CD1-CD1 4.25Å; Y472-L476 HydrophobicContact CE1-CD1 3.67Å; Y472-L476 HydrophobicContact CE1-CG 4.28Å; Y472-L476 HydrophobicContact CE2-CD1 4.36Å; Y472-L476 HydrophobicContact CE2-CD2 3.98Å; Y472-L476 HydrophobicContact CE2-CG 4.11Å; Y472-L476 WeakPolarHBondContact O-CG 3.26Å; Y472-L476 PolarHBondContact O-N 3.32Å; I473-L476 PolarHBondContact O-N 3.03Å; I473-L476 VanDerWaalsContact O-N 3.15Å; L476-T478 PolarHBondContact O-N 2.93Å; L476-R479 PolarHBondContact O-N 2.95Å; L476-L480 HydrophobicContact CB-CD1 4.4Å; L476-L480 WeakPolarHBondContact O-CB 3.42Å; L476-L480 WeakPolarHBondContact O-CD1 3.22Å; L476-L480 VanDerWaalsContact O-CG 3.26Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 2.94Å
477K92.7Very high91.6Very high27 Ų2736.5 Ų36.512%0.11718%0.178CC..Hα-helixtrans-55.9-49179.2-72169.766.8-166.10111.4T287 L447 T449 I473 R479 L480 F481 Y483T287-K477 HydrophobicContact CG2-CG 4.27Å; L447-K477 PolarHBondContact O-NZ 3.03Å; T449-K477 PolarHBondContact OG1-NZ 3Å; I473-K477 HydrophobicContact CG2-CD 3.66Å; I473-K477 HydrophobicContact CG2-CG 4.08Å; I473-K477 WeakPolarHBondContact O-CB 3.3Å; I473-K477 WeakPolarHBondContact O-CG 3.45Å; I473-K477 PolarHBondContact O-N 3.43Å; K477-R479 VanDerWaalsContact C-N 3.26Å; K477-R479 PolarHBondContact O-N 3.29Å; K477-L480 PolarHBondContact O-N 3.09Å; K477-F481 HydrophobicContact CB-CD2 4.16Å; K477-F481 HydrophobicContact CB-CE2 4.48Å; K477-F481 HydrophobicContact CG-CE2 4.43Å; K477-F481 WeakPolarHBondContact O-CB 3.4Å; K477-F481 WeakPolarHBondContact O-CD2 3.43Å; K477-F481 PolarHBondContact O-N 2.65Å; K477-Y483 HydrophobicContact CB-CE2 3.75Å; K477-Y483 WeakPolarHBondContact CE-OH 3.39Å
478T93.4Very high91.2Very high6 Ų639.8 Ų39.84%0.03720%0.195CC..Hα-helixtrans-59.8-39.8-178-58.30000111.7D474 L476 N482 Y483 S486 P487 L488D474-T478 VanDerWaalsContact O-CB 3.23Å; D474-T478 WeakPolarHBondContact O-CB 3.4Å; D474-T478 PolarHBondContact O-N 3.35Å; D474-T478 PolarHBondContact O-OG1 2.73Å; L476-T478 PolarHBondContact O-N 2.93Å; T478-N482 WeakPolarHBondContact O-CA 3.19Å; T478-N482 PolarHBondContact O-N 2.81Å; T478-Y483 PolarHBondContact O-N 2.95Å; T478-S486 WeakPolarHBondContact CG2-OG 3.31Å; T478-P487 WeakPolarHBondContact OG1-CD 3.4Å; T478-P487 WeakPolarHBondContact OG1-CG 3.49Å; T478-L488 HydrophobicContact CG2-CD1 3.74Å; T478-L488 HydrophobicContact CG2-CG 3.83Å
479R92.4Very high90.9Very high67 Ų6742.7 Ų42.725%0.25321%0.21SC..Hα-helixtrans-78.2-29.6-180-64.6-174.5-173.2-177.23.6113.7N183 I184 E186 F189 T475 L476 K477 L488N183-R479 PolarHBondContact ND2-NH1 3.46Å; N183-R479 PolarHBondContact OD1-NH1 2.61Å; I184-R479 HydrophobicContact CB-CB 3.88Å; I184-R479 HydrophobicContact CG2-CB 3.84Å; I184-R479 WeakPolarHBondContact O-CD 3.28Å; I184-R479 PolarHBondContact O-NH1 2.82Å; E186-R479 HydrophobicContact CB-CB 4.03Å; E186-R479 HydrophobicContact CB-CG 4.02Å; F189-R479 WeakPolarHBondContact CD1-O 3.28Å; F189-R479 WeakPolarHBondContact CE1-O 3.49Å; T475-R479 VanDerWaalsContact O-CG 3.29Å; T475-R479 WeakPolarHBondContact O-CG 3.38Å; T475-R479 PolarHBondContact O-N 3.07Å; L476-R479 PolarHBondContact O-N 2.95Å; K477-R479 VanDerWaalsContact C-N 3.26Å; K477-R479 PolarHBondContact O-N 3.29Å; R479-L488 HydrophobicContact CG-CD1 4.42Å
480L91.4Very high90.6Very high12 Ų1243.9 Ų43.96%0.06322%0.221CC..Hα-helixtrans-76.2-43176.4-72.6163.1000112.3I184 L284 T287 Y289 L295 L476 K477I184-L480 HydrophobicContact CD1-CD2 3.98Å; I184-L480 HydrophobicContact CD1-CG 4.45Å; I184-L480 HydrophobicContact CG1-CD1 4.37Å; I184-L480 HydrophobicContact CG1-CD2 4Å; I184-L480 HydrophobicContact CG1-CG 3.97Å; I184-L480 HydrophobicContact CG2-CD2 4.04Å; I184-L480 HydrophobicContact CG2-CG 4.26Å; L284-L480 HydrophobicContact CD2-CD1 3.82Å; T287-L480 HydrophobicContact CG2-CD1 4.22Å; Y289-L480 HydrophobicContact CD1-CD2 4.4Å; Y289-L480 HydrophobicContact CD2-CB 4.12Å; Y289-L480 HydrophobicContact CD2-CD1 4.44Å; Y289-L480 HydrophobicContact CD2-CD2 4.16Å; Y289-L480 HydrophobicContact CD2-CG 4.46Å; Y289-L480 HydrophobicContact CE2-CD2 4.28Å; Y289-L480 HydrophobicContact CG-CD1 4.2Å; Y289-L480 HydrophobicContact CG-CD2 4.23Å; L295-L480 HydrophobicContact CD1-CD2 3.81Å; L295-L480 HydrophobicContact CD2-CD2 4.22Å; L476-L480 HydrophobicContact CB-CD1 4.4Å; L476-L480 WeakPolarHBondContact O-CB 3.42Å; L476-L480 WeakPolarHBondContact O-CD1 3.22Å; L476-L480 VanDerWaalsContact O-CG 3.26Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 2.94Å; K477-L480 PolarHBondContact O-N 3.09Å
481F90.3Very high90.6Very high84 Ų8444.6 Ų44.637%0.36823%0.226SC..Hα-helixtrans-99-5.9-174.3-61.4-69.1000113.5T287 Y289 K477 Y483T287-F481 WeakPolarHBondContact O-CE2 3.27Å; Y289-F481 AromaticContact CD2-CE1 3.97Å; Y289-F481 HydrophobicContact CD2-CE1 3.97Å; Y289-F481 AromaticContact CD2-CZ 3.93Å; Y289-F481 HydrophobicContact CD2-CZ 3.93Å; K477-F481 HydrophobicContact CB-CD2 4.16Å; K477-F481 HydrophobicContact CB-CE2 4.48Å; K477-F481 HydrophobicContact CG-CE2 4.43Å; K477-F481 WeakPolarHBondContact O-CB 3.4Å; K477-F481 WeakPolarHBondContact O-CD2 3.43Å; K477-F481 PolarHBondContact O-N 2.65Å; F481-Y483 HydrophobicContact CB-CD1 3.77Å; F481-Y483 HydrophobicContact CB-CE1 3.36Å; F481-Y483 HydrophobicContact CB-CE2 4.46Å; F481-Y483 HydrophobicContact CB-CG 4.46Å; F481-Y483 HydrophobicContact CD2-CE1 4.2Å; F481-Y483 HydrophobicContact CD2-CE2 4.47Å; F481-Y483 AromaticContact CD2-CZ 3.77Å; F481-Y483 WeakPolarHBondContact CD2-OH 3.44Å; F481-Y483 AromaticContact CG-CE1 3.98Å; F481-Y483 HydrophobicContact CG-CE1 3.98Å; F481-Y483 PolarHBondContact O-N 3.14Å
482N87.8Confident90.7Very high113 Ų11341.5 Ų41.560%0.60421%0.213SC*.THydrogen-bonded Turntrans49.554.1-178.6-170.733.5000112F189 T478 N484F189-N482 HydrophobicContact CE1-CB 4.22Å; F189-N482 HydrophobicContact CZ-CB 4.24Å; T478-N482 WeakPolarHBondContact O-CA 3.19Å; T478-N482 PolarHBondContact O-N 2.81Å; N482-N484 PolarHBondContact O-N 3.18Å
483Y86Confident90.8Very high57 Ų5740.7 Ų40.722%0.22421%0.21CC..  trans-60.5134.9-177.1-64.8-40.7000111.7L447 K477 T478 F481 P485 S486L447-Y483 HydrophobicContact CD1-CD2 4.08Å; L447-Y483 HydrophobicContact CD1-CG 4.01Å; L447-Y483 HydrophobicContact CD2-CD1 4.2Å; L447-Y483 HydrophobicContact CD2-CD2 4.1Å; L447-Y483 HydrophobicContact CD2-CE1 4.05Å; L447-Y483 HydrophobicContact CD2-CE2 3.93Å; L447-Y483 HydrophobicContact CD2-CG 4.24Å; K477-Y483 HydrophobicContact CB-CE2 3.75Å; K477-Y483 WeakPolarHBondContact CE-OH 3.39Å; T478-Y483 PolarHBondContact O-N 2.95Å; F481-Y483 HydrophobicContact CB-CD1 3.77Å; F481-Y483 HydrophobicContact CB-CE1 3.36Å; F481-Y483 HydrophobicContact CB-CE2 4.46Å; F481-Y483 HydrophobicContact CB-CG 4.46Å; F481-Y483 HydrophobicContact CD2-CE1 4.2Å; F481-Y483 HydrophobicContact CD2-CE2 4.47Å; F481-Y483 AromaticContact CD2-CZ 3.77Å; F481-Y483 WeakPolarHBondContact CD2-OH 3.44Å; F481-Y483 AromaticContact CG-CE1 3.98Å; F481-Y483 HydrophobicContact CG-CE1 3.98Å; F481-Y483 PolarHBondContact O-N 3.14Å; Y483-P485 CarbonylContact C-O 3.5Å; Y483-P485 CarbonylContact O-C 3.55Å; Y483-S486 PolarHBondContact O-N 3.39Å
484N85.4Confident90.8Very high156 Ų15643 Ų4383%0.83422%0.222SC*.SBendtrans-132.9108.5170.8-176.413.3000108.1N482N482-N484 PolarHBondContact O-N 3.18Å
485P88Confident90.7Very high13 Ų1343.8 Ų43.88%0.08423%0.226CC..SBendcis-72.1150.5931-37.5000114.3T440 E443 K444 Y483T440-P485 HydrophobicContact CG2-CB 3.49Å; T440-P485 VanDerWaalsContact CG2-CB 3.49Å; T440-P485 HydrophobicContact CG2-CG 3.65Å; E443-P485 HydrophobicContact CB-CG 3.97Å; E443-P485 VanDerWaalsContact OE2-CD 3.26Å; E443-P485 WeakPolarHBondContact OE2-CD 3.35Å; K444-P485 HydrophobicContact CD-CB 4.37Å; K444-P485 HydrophobicContact CG-CB 3.91Å; K444-P485 HydrophobicContact CG-CG 3.86Å; Y483-P485 CarbonylContact C-O 3.5Å; Y483-P485 CarbonylContact O-C 3.55Å
486S86.6Confident90.6Very high26 Ų2649 Ų4918%0.18224%0.242CC..  trans-85.2125.2177.9172.60000111K444 T478 Y483 L488 E489K444-S486 WeakPolarHBondContact CE-O 3.17Å; T478-S486 WeakPolarHBondContact CG2-OG 3.31Å; Y483-S486 PolarHBondContact O-N 3.39Å; S486-L488 PolarHBondContact O-N 2.88Å; S486-L488 PolarHBondContact OG-N 2.96Å; S486-E489 PolarHBondContact O-N 2.71Å
487P87.2Confident90.7Very high13 Ų1349.9 Ų49.98%0.08425%0.25CC..THydrogen-bonded Turntrans-77.37.4172.134.7-36.6000112.7W374 L447 T478W374-P487 VanDerWaalsContact CZ2-O 3.28Å; W374-P487 WeakPolarHBondContact CZ2-O 3.43Å; L447-P487 HydrophobicContact CB-CG 4.36Å; T478-P487 WeakPolarHBondContact OG1-CD 3.4Å; T478-P487 WeakPolarHBondContact OG1-CG 3.49Å
488L86.5Confident90.9Very high71 Ų7151.5 Ų51.537%0.37226%0.255SS..THydrogen-bonded Turntrans-95-2.4170.6-59.1-179.6000113.2T475 T478 R479 S486T475-L488 HydrophobicContact CG2-CD1 4.33Å; T478-L488 HydrophobicContact CG2-CD1 3.74Å; T478-L488 HydrophobicContact CG2-CG 3.83Å; R479-L488 HydrophobicContact CG-CD1 4.42Å; S486-L488 PolarHBondContact O-N 2.88Å; S486-L488 PolarHBondContact OG-N 2.96Å
489E86.6Confident91.1Very high93 Ų9352.2 Ų52.244%0.43526%0.257SS..SBendtrans-66.1160.8174-72.2174-168.800111.8W374 K444 S486W374-E489 HydrophobicContact CH2-CB 4.28Å; W374-E489 WeakPolarHBondContact CH2-O 3.13Å; K444-E489 WeakPolarHBondContact CE-OE2 3.44Å; K444-E489 IonicContact NZ-OE2 2.88Å; K444-E489 PolarHBondContact NZ-OE2 2.82Å; S486-E489 PolarHBondContact O-N 2.71Å
490S89.2Confident91.2Very high51 Ų5150.9 Ų50.936%0.35726%0.256SS..PPolyproline II helixtrans-75.9134.4172.4-177.90000109.9I494S490-I494 WeakPolarHBondContact OG-CD1 3.49Å
491P94.8Very high91.3Very high16 Ų1653.5 Ų53.510%0.10427%0.266CS..PPolyproline II helixtrans-64.3147.5175.125.1-33.3000111.9P373 W374 E377 F493 I494P373-P491 HydrophobicContact CB-CB 4.08Å; P373-P491 HydrophobicContact CB-CG 3.97Å; W374-P491 HydrophobicContact CZ3-CB 4.31Å; E377-P491 VanDerWaalsContact OE2-CA 3.29Å; E377-P491 WeakPolarHBondContact OE2-CA 3.49Å; P491-F493 VanDerWaalsContact C-N 3.28Å; P491-F493 HydrophobicContact CB-CD1 3.86Å; P491-F493 HydrophobicContact CB-CE1 3.41Å; P491-F493 VanDerWaalsContact CB-CE1 3.41Å; P491-F493 HydrophobicContact CB-CE2 4.19Å; P491-F493 HydrophobicContact CB-CG 4.43Å; P491-F493 HydrophobicContact CB-CZ 3.59Å; P491-F493 HydrophobicContact CG-CE1 3.93Å; P491-F493 HydrophobicContact CG-CE2 3.89Å; P491-F493 HydrophobicContact CG-CZ 3.52Å; P491-F493 PolarHBondContact O-N 2.9Å; P491-I494 HydrophobicContact CG-CD1 3.65Å; P491-I494 HydrophobicContact CG-CG1 4.1Å; P491-I494 PolarHBondContact O-N 3.32Å
492I95.3Very high91.3Very high6 Ų657.8 Ų57.83%0.03128%0.28CS..THydrogen-bonded Turntrans-74.4-13-172.961.590.8000114.2E377 Y380 I381 F432 L434 I494 N509 A510 G511E377-I492 HydrophobicContact CG-CD1 4.21Å; E377-I492 HydrophobicContact CG-CG1 3.57Å; E377-I492 VanDerWaalsContact OE2-CG1 3.31Å; E377-I492 WeakPolarHBondContact OE2-CG1 3.48Å; E377-I492 PolarHBondContact OE2-N 3.35Å; Y380-I492 HydrophobicContact CD1-CD1 3.8Å; Y380-I492 HydrophobicContact CE1-CD1 4.37Å; I381-I492 HydrophobicContact CD1-CD1 4.32Å; I381-I492 HydrophobicContact CD1-CG1 4.36Å; I381-I492 HydrophobicContact CG1-CD1 3.65Å; I381-I492 HydrophobicContact CG1-CG1 4.21Å; F432-I492 HydrophobicContact CE1-CG2 3.95Å; F432-I492 HydrophobicContact CZ-CG2 3.86Å; L434-I492 WeakPolarHBondContact O-CB 3.32Å; L434-I492 WeakPolarHBondContact O-CG2 3.42Å; I492-I494 VanDerWaalsContact C-N 3.25Å; I492-I494 PolarHBondContact O-N 3.09Å; I492-N509 CarbonylContact O-C 3.46Å; I492-N509 WeakPolarHBondContact O-CB 3.36Å; I492-A510 HydrophobicContact CD1-CB 3.46Å; I492-A510 VanDerWaalsContact CD1-CB 3.46Å; I492-A510 CarbonylContact O-C 3.44Å; I492-A510 PolarHBondContact O-N 3.3Å; I492-G511 PolarHBondContact O-N 2.98Å
493F96.3Very high91.5Very high1 Ų156.7 Ų56.70%0.00427%0.271CS..THydrogen-bonded Turntrans-79.1-10.2175.958.2-109000112.8T94 F98 Q369 P373 L376 E377 Y380 P491 N495 G511T94-F493 HydrophobicContact CG2-CB 4.23Å; T94-F493 HydrophobicContact CG2-CD2 4.4Å; F98-F493 HydrophobicContact CE2-CB 4.26Å; F98-F493 HydrophobicContact CE2-CD1 4.21Å; F98-F493 AromaticContact CE2-CD2 3.71Å; F98-F493 HydrophobicContact CE2-CD2 3.71Å; F98-F493 HydrophobicContact CE2-CE1 4.49Å; F98-F493 HydrophobicContact CE2-CE2 4.06Å; F98-F493 AromaticContact CE2-CG 3.81Å; F98-F493 HydrophobicContact CE2-CG 3.81Å; F98-F493 HydrophobicContact CE2-CZ 4.43Å; F98-F493 HydrophobicContact CZ-CB 3.89Å; F98-F493 AromaticContact CZ-CD1 3.65Å; F98-F493 HydrophobicContact CZ-CD1 3.65Å; F98-F493 AromaticContact CZ-CD2 3.98Å; F98-F493 HydrophobicContact CZ-CD2 3.98Å; F98-F493 HydrophobicContact CZ-CE1 4.1Å; F98-F493 HydrophobicContact CZ-CE2 4.44Å; F98-F493 AromaticContact CZ-CG 3.57Å; F98-F493 HydrophobicContact CZ-CG 3.57Å; F98-F493 HydrophobicContact CZ-CZ 4.49Å; Q369-F493 HydrophobicContact CB-CE2 4.06Å; Q369-F493 HydrophobicContact CB-CZ 4.18Å; Q369-F493 HydrophobicContact CG-CE2 3.86Å; Q369-F493 HydrophobicContact CG-CZ 4.18Å; P373-F493 HydrophobicContact CB-CZ 4.46Å; P373-F493 WeakPolarHBondContact O-CE1 3.48Å; L376-F493 HydrophobicContact CB-CE1 3.93Å; L376-F493 HydrophobicContact CB-CZ 4.49Å; E377-F493 HydrophobicContact CB-CD1 4.16Å; E377-F493 HydrophobicContact CB-CE1 4.26Å; Y380-F493 HydrophobicContact CD1-CB 3.83Å; Y380-F493 HydrophobicContact CD2-CB 3.76Å; Y380-F493 HydrophobicContact CE1-CB 4.1Å; Y380-F493 HydrophobicContact CE2-CB 4.03Å; Y380-F493 HydrophobicContact CG-CB 3.66Å; P491-F493 VanDerWaalsContact C-N 3.28Å; P491-F493 HydrophobicContact CB-CD1 3.86Å; P491-F493 HydrophobicContact CB-CE1 3.41Å; P491-F493 VanDerWaalsContact CB-CE1 3.41Å; P491-F493 HydrophobicContact CB-CE2 4.19Å; P491-F493 HydrophobicContact CB-CG 4.43Å; P491-F493 HydrophobicContact CB-CZ 3.59Å; P491-F493 HydrophobicContact CG-CE1 3.93Å; P491-F493 HydrophobicContact CG-CE2 3.89Å; P491-F493 HydrophobicContact CG-CZ 3.52Å; P491-F493 PolarHBondContact O-N 2.9Å; F493-N495 PolarHBondContact O-N 3.24Å; F493-G511 VanDerWaalsContact O-CA 3.32Å; F493-G511 WeakPolarHBondContact O-CA 3.28Å
494I94.5Very high92Very high53 Ų5354 Ų5427%0.27226%0.261SS..SBendtrans-68.1130.1170.8-68170.6000108.3S490 P491 I492 R496 N509S490-I494 WeakPolarHBondContact OG-CD1 3.49Å; P491-I494 HydrophobicContact CG-CD1 3.65Å; P491-I494 HydrophobicContact CG-CG1 4.1Å; P491-I494 PolarHBondContact O-N 3.32Å; I492-I494 VanDerWaalsContact C-N 3.25Å; I492-I494 PolarHBondContact O-N 3.09Å; I494-R496 HydrophobicContact CG2-CB 4.12Å; I494-R496 PolarHBondContact O-N 3.31Å; I494-N509 WeakPolarHBondContact O-CB 2.94Å; I494-N509 PolarHBondContact O-ND2 3.2Å
495N92.5Very high92.6Very high26 Ų2651.1 Ų51.114%0.13924%0.238CC..  trans-78.957.6-170.466.3-6.8000114.5F87 M90 F493F87-N495 PolarHBondContact O-ND2 3.11Å; M90-N495 HydrophobicContact CE-CB 3.64Å; M90-N495 HydrophobicContact CG-CB 4.14Å; M90-N495 HydrophobicContact SD-CB 4.07Å; F493-N495 PolarHBondContact O-N 3.24Å
496R92.3Very high93.1Very high138 Ų13850.5 Ų50.552%0.52123%0.234SC..  trans-122.7136.8-171-167.1179.4-179.5171.80.5112.5I494 Y498 N509I494-R496 HydrophobicContact CG2-CB 4.12Å; I494-R496 PolarHBondContact O-N 3.31Å; R496-Y498 HydrophobicContact CG-CD1 3.95Å; R496-N509 VanDerWaalsContact O-CB 3.27Å; R496-N509 WeakPolarHBondContact O-CB 3.23Å; R496-N509 PolarHBondContact O-N 2.92Å
497A95.6Very high93.6Very high19 Ų1950.8 Ų50.816%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-112.4145.8155.600000108.7Y507 I512 E538A497-Y507 CarbonylContact C-O 3.59Å; A497-Y507 WeakPolarHBondContact CA-O 3.47Å; A497-I512 HydrophobicContact CB-CD1 3.97Å; A497-E538 HydrophobicContact CB-CG 3.99Å
498Y96.3Very high94.1Very high60 Ų6050.1 Ų50.124%0.23523%0.227CC..EExtended strand (participates in β ladder)trans-160.9148.4176.765.2-82.7000112.7R496 N500 I506 Y507 E538R496-Y498 HydrophobicContact CG-CD1 3.95Å; Y498-N500 HydrophobicContact CE2-CB 4.41Å; Y498-I506 WeakPolarHBondContact O-CA 3.24Å; Y498-Y507 HydrophobicContact CD2-CD2 4.28Å; Y498-Y507 HydrophobicContact CE1-CD2 4.45Å; Y498-Y507 AromaticContact CE1-CG 3.9Å; Y498-Y507 HydrophobicContact CE1-CG 3.9Å; Y498-Y507 AromaticContact CE2-CD2 3.57Å; Y498-Y507 HydrophobicContact CE2-CD2 3.57Å; Y498-Y507 HydrophobicContact CE2-CE2 4.3Å; Y498-Y507 AromaticContact CE2-CG 3.85Å; Y498-Y507 HydrophobicContact CE2-CG 3.85Å; Y498-Y507 VanDerWaalsContact CZ-CB 3.46Å; Y498-Y507 AromaticContact CZ-CD2 3.67Å; Y498-Y507 AromaticContact CZ-CG 3.44Å; Y498-Y507 VanDerWaalsContact CZ-CG 3.44Å; Y498-Y507 PolarHBondContact N-O 3.41Å; Y498-Y507 PolarHBondContact O-N 2.96Å; Y498-E538 VanDerWaalsContact C-OE2 3.25Å; Y498-E538 WeakPolarHBondContact CA-OE2 3.29Å
499Y97.5Very high94.6Very high21 Ų2147 Ų478%0.08221%0.211CC..EExtended strand (participates in β ladder)trans-89.2124.8168.4173.5-119.9000112.8K425 L429 K501 N504 I506 E538 H541 A542K425-Y499 WeakPolarHBondContact CE-OH 3.41Å; L429-Y499 HydrophobicContact CD1-CD2 4.03Å; L429-Y499 HydrophobicContact CD1-CE2 3.53Å; Y499-K501 HydrophobicContact CD1-CG 3.81Å; Y499-K501 HydrophobicContact CE1-CB 4.15Å; Y499-K501 HydrophobicContact CE1-CG 3.37Å; Y499-N504 PolarHBondContact OH-OD1 3.23Å; Y499-N504 VanDerWaalsContact OH-OD1 3.13Å; Y499-I506 HydrophobicContact CD2-CG1 4.1Å; Y499-E538 PolarHBondContact N-OE2 2.94Å; Y499-H541 HydrophobicContact CD1-CB 3.83Å; Y499-H541 HydrophobicContact CG-CB 4.24Å; Y499-A542 HydrophobicContact CD2-CB 4.37Å; Y499-A542 VanDerWaalsContact CE1-CA 3.5Å; Y499-A542 HydrophobicContact CE1-CB 4.03Å; Y499-A542 HydrophobicContact CE2-CB 3.88Å
500N95.1Very high95.1Very high40 Ų4042.5 Ų42.521%0.21419%0.19CC..EExtended strand (participates in β ladder)trans-93.7108.1169.7-175.7-32.6000110.4Y498 R502 E503 N504 R505 Y507Y498-N500 HydrophobicContact CE2-CB 4.41Å; N500-R502 VanDerWaalsContact C-N 3.31Å; N500-R502 PolarHBondContact O-N 3.24Å; N500-R502 PolarHBondContact OD1-N 3.19Å; N500-E503 HydrophobicContact CB-CB 4.38Å; N500-E503 PolarHBondContact ND2-OE1 3.01Å; N500-E503 PolarHBondContact O-N 2.76Å; N500-E503 PolarHBondContact OD1-N 3.12Å; N500-N504 PolarHBondContact O-N 2.85Å; N500-N504 VanDerWaalsContact O-N 3.08Å; N500-R505 PolarHBondContact N-O 3.02Å; N500-R505 PolarHBondContact O-N 2.76Å; N500-Y507 HydrophobicContact CB-CD2 4.23Å; N500-Y507 HydrophobicContact CB-CE2 3.96Å
501K93.6Very high95.4Very high67 Ų6740.1 Ų40.129%0.29117%0.173SC..THydrogen-bonded Turntrans-59.2-35-179.1-76169.5-177.4175.30113.9Y499 K546 V550 E597Y499-K501 HydrophobicContact CD1-CG 3.81Å; Y499-K501 HydrophobicContact CE1-CB 4.15Å; Y499-K501 HydrophobicContact CE1-CG 3.37Å; K501-K546 VanDerWaalsContact NZ-CB 3.31Å; K501-V550 HydrophobicContact CB-CG2 4.24Å; K501-E597 IonicContact NZ-OE1 2.81Å; K501-E597 PolarHBondContact NZ-OE1 2.98Å; K501-E597 IonicContact NZ-OE2 2.76Å
502R89.3Confident95.3Very high174 Ų17439.5 Ų39.566%0.65717%0.169SC*.THydrogen-bonded Turntrans-78-31.1-175.5-173.2177.9-179.8-164.5-4.2112.3N500 G554N500-R502 VanDerWaalsContact C-N 3.31Å; N500-R502 PolarHBondContact O-N 3.24Å; N500-R502 PolarHBondContact OD1-N 3.19Å; R502-G554 WeakPolarHBondContact O-CA 3.24Å
503E93.3Very high95.2Very high89 Ų8939.8 Ų39.842%0.41617%0.17SC..THydrogen-bonded Turntrans-95.6-7.5-179.8-68.7170.4-14400113N500 R505 Y507N500-E503 HydrophobicContact CB-CB 4.38Å; N500-E503 PolarHBondContact ND2-OE1 3.01Å; N500-E503 PolarHBondContact O-N 2.76Å; N500-E503 PolarHBondContact OD1-N 3.12Å; E503-R505 HydrophobicContact CB-CB 3.78Å; E503-R505 PolarHBondContact O-N 2.79Å; E503-Y507 WeakPolarHBondContact OE2-CE2 3.2Å; E503-Y507 PolarHBondContact OE2-OH 3.02Å
504N96.7Very high95.1Very high2 Ų241 Ų411%0.01118%0.176CC..THydrogen-bonded Turntrans45.151.6-166.6-166.140.5000110.2K425 L429 S430 Y499 N500 A552K425-N504 WeakPolarHBondContact CE-OD1 3.18Å; K425-N504 PolarHBondContact O-ND2 3.49Å; K425-N504 VanDerWaalsContact O-ND2 3.13Å; L429-N504 WeakPolarHBondContact CA-O 3.02Å; L429-N504 WeakPolarHBondContact CD1-O 2.89Å; L429-N504 VanDerWaalsContact CD1-OD1 3.23Å; L429-N504 WeakPolarHBondContact CD1-OD1 3.07Å; L429-N504 PolarHBondContact N-ND2 3.39Å; S430-N504 PolarHBondContact N-O 3.02Å; S430-N504 VanDerWaalsContact N-O 3.09Å; Y499-N504 PolarHBondContact OH-OD1 3.23Å; Y499-N504 VanDerWaalsContact OH-OD1 3.13Å; N500-N504 PolarHBondContact O-N 2.85Å; N500-N504 VanDerWaalsContact O-N 3.08Å; N504-A552 WeakPolarHBondContact CB-O 3.42Å
505R97.5Very high95Very high94 Ų9443 Ų4336%0.35518%0.183SC..EExtended strand (participates in β ladder)trans-137135-172.2-179.2177.5-76.1-179.8-2111.1S430 N500 E503 Y507S430-R505 CarbonylContact O-C 3.53Å; S430-R505 VanDerWaalsContact O-CA 3.32Å; S430-R505 WeakPolarHBondContact O-CA 2.98Å; S430-R505 WeakPolarHBondContact OG-CB 3.16Å; S430-R505 WeakPolarHBondContact OG-CG 3.31Å; S430-R505 PolarHBondContact OG-NE 2.81Å; S430-R505 VanDerWaalsContact OG-NE 3.08Å; N500-R505 PolarHBondContact N-O 3.02Å; N500-R505 PolarHBondContact O-N 2.76Å; E503-R505 HydrophobicContact CB-CB 3.78Å; E503-R505 PolarHBondContact O-N 2.79Å; R505-Y507 HydrophobicContact CB-CE2 4.19Å; R505-Y507 HydrophobicContact CG-CD2 4.24Å; R505-Y507 HydrophobicContact CG-CE2 3.82Å
506I98.1Very high95Very high0 Ų042.2 Ų42.20%018%0.179CC..EExtended strand (participates in β ladder)trans-91.9137.6169.5-63.2177.4000109.1F397 L429 S430 I431 F432 Y498 Y499 V508 E538 I539F397-I506 HydrophobicContact CD2-CD1 4.35Å; F397-I506 HydrophobicContact CE2-CD1 3.88Å; L429-I506 HydrophobicContact CD1-CG1 4.48Å; L429-I506 HydrophobicContact CD2-CD1 3.88Å; L429-I506 HydrophobicContact CD2-CG1 4.33Å; S430-I506 PolarHBondContact O-N 3.23Å; I431-I506 CarbonylContact C-O 3.58Å; I431-I506 VanDerWaalsContact CA-O 3.3Å; I431-I506 WeakPolarHBondContact CA-O 2.87Å; F432-I506 PolarHBondContact N-O 2.91Å; Y498-I506 WeakPolarHBondContact O-CA 3.24Å; Y499-I506 HydrophobicContact CD2-CG1 4.1Å; I506-V508 HydrophobicContact CG2-CG2 3.98Å; I506-E538 HydrophobicContact CB-CB 4.5Å; I506-E538 HydrophobicContact CD1-CB 3.71Å; I506-E538 HydrophobicContact CG1-CB 4Å; I506-E538 HydrophobicContact CG2-CB 3.72Å; I506-E538 HydrophobicContact CG2-CG 4.21Å; I506-I539 HydrophobicContact CD1-CB 4.14Å; I506-I539 HydrophobicContact CD1-CG1 3.32Å
507Y97.4Very high95Very high32 Ų3235.7 Ų35.713%0.12515%0.154CC..EExtended strand (participates in β ladder)trans-107.8126.3171.3-74.1-98.8000108.7F432 A497 Y498 N500 E503 R505F432-Y507 HydrophobicContact CB-CD1 3.49Å; F432-Y507 VanDerWaalsContact CB-CD1 3.49Å; F432-Y507 HydrophobicContact CB-CE1 3.69Å; F432-Y507 HydrophobicContact CB-CG 4.08Å; F432-Y507 AromaticContact CD1-CD1 3.75Å; F432-Y507 HydrophobicContact CD1-CD1 3.75Å; F432-Y507 HydrophobicContact CD1-CE1 4.36Å; F432-Y507 HydrophobicContact CD2-CD1 4.43Å; F432-Y507 HydrophobicContact CD2-CE1 4.25Å; F432-Y507 AromaticContact CG-CD1 3.64Å; F432-Y507 HydrophobicContact CG-CD1 3.64Å; F432-Y507 AromaticContact CG-CE1 3.86Å; F432-Y507 HydrophobicContact CG-CE1 3.86Å; A497-Y507 CarbonylContact C-O 3.59Å; A497-Y507 WeakPolarHBondContact CA-O 3.47Å; Y498-Y507 HydrophobicContact CD2-CD2 4.28Å; Y498-Y507 HydrophobicContact CE1-CD2 4.45Å; Y498-Y507 AromaticContact CE1-CG 3.9Å; Y498-Y507 HydrophobicContact CE1-CG 3.9Å; Y498-Y507 AromaticContact CE2-CD2 3.57Å; Y498-Y507 HydrophobicContact CE2-CD2 3.57Å; Y498-Y507 HydrophobicContact CE2-CE2 4.3Å; Y498-Y507 AromaticContact CE2-CG 3.85Å; Y498-Y507 HydrophobicContact CE2-CG 3.85Å; Y498-Y507 VanDerWaalsContact CZ-CB 3.46Å; Y498-Y507 AromaticContact CZ-CD2 3.67Å; Y498-Y507 AromaticContact CZ-CG 3.44Å; Y498-Y507 VanDerWaalsContact CZ-CG 3.44Å; Y498-Y507 PolarHBondContact N-O 3.41Å; Y498-Y507 PolarHBondContact O-N 2.96Å; N500-Y507 HydrophobicContact CB-CD2 4.23Å; N500-Y507 HydrophobicContact CB-CE2 3.96Å; E503-Y507 WeakPolarHBondContact OE2-CE2 3.2Å; E503-Y507 PolarHBondContact OE2-OH 3.02Å; R505-Y507 HydrophobicContact CB-CE2 4.19Å; R505-Y507 HydrophobicContact CG-CD2 4.24Å; R505-Y507 HydrophobicContact CG-CE2 3.82Å
508V97.8Very high94.8Very high0 Ų035.6 Ų35.60%015%0.15CC..EExtended strand (participates in β ladder)trans-121100.3172.5-178.70000107V393 I431 F432 L434 I506 I512 L531 I535V393-V508 HydrophobicContact CG1-CB 4.36Å; V393-V508 HydrophobicContact CG1-CG1 4.27Å; I431-V508 HydrophobicContact CD1-CG2 3.84Å; I431-V508 HydrophobicContact CG1-CG2 4.36Å; F432-V508 PolarHBondContact O-N 3.39Å; L434-V508 VanDerWaalsContact CA-O 3.26Å; L434-V508 WeakPolarHBondContact CA-O 3.48Å; L434-V508 PolarHBondContact N-O 3.49Å; I506-V508 HydrophobicContact CG2-CG2 3.98Å; V508-I512 HydrophobicContact CG1-CG2 3.63Å; V508-L531 HydrophobicContact CG1-CD1 4.39Å; V508-I535 HydrophobicContact CG2-CG1 4.16Å
509N96.8Very high94.5Very high4 Ų434.9 Ų34.92%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-75.8148.1-177.3-72.70.2000111.3I492 I494 R496 G511 I512I492-N509 CarbonylContact O-C 3.46Å; I492-N509 WeakPolarHBondContact O-CB 3.36Å; I494-N509 WeakPolarHBondContact O-CB 2.94Å; I494-N509 PolarHBondContact O-ND2 3.2Å; R496-N509 VanDerWaalsContact O-CB 3.27Å; R496-N509 WeakPolarHBondContact O-CB 3.23Å; R496-N509 PolarHBondContact O-N 2.92Å; N509-G511 PolarHBondContact O-N 3.1Å; N509-I512 VanDerWaalsContact O-CG2 3.25Å; N509-I512 WeakPolarHBondContact O-CG2 3.11Å; N509-I512 PolarHBondContact O-N 3.42Å
510A96.8Very high94Very high0 Ų039.4 Ų39.40%017%0.169CC..G310 helixtrans-58.8-22178.500000114.2Y380 V385 L434 I492 I512 F513Y380-A510 HydrophobicContact CD1-CB 4.31Å; Y380-A510 HydrophobicContact CE1-CB 3.79Å; Y380-A510 PolarHBondContact OH-O 2.79Å; V385-A510 HydrophobicContact CG1-CB 3.81Å; V385-A510 HydrophobicContact CG2-CB 4.06Å; L434-A510 HydrophobicContact CB-CB 4.18Å; L434-A510 PolarHBondContact O-N 3.48Å; I492-A510 HydrophobicContact CD1-CB 3.46Å; I492-A510 VanDerWaalsContact CD1-CB 3.46Å; I492-A510 CarbonylContact O-C 3.44Å; I492-A510 PolarHBondContact O-N 3.3Å; A510-I512 PolarHBondContact O-N 2.83Å; A510-F513 WeakPolarHBondContact O-CB 3.42Å; A510-F513 PolarHBondContact O-N 3.25Å
511G95.5Very high93.6Very high0 Ų045.1 Ų45.10%020%0.2CC..G310 helixtrans-58.2-28173.400000114.2M90 I492 F493 N509 F513 Q514M90-G511 VanDerWaalsContact SD-O 3.33Å; I492-G511 PolarHBondContact O-N 2.98Å; F493-G511 VanDerWaalsContact O-CA 3.32Å; F493-G511 WeakPolarHBondContact O-CA 3.28Å; N509-G511 PolarHBondContact O-N 3.1Å; G511-F513 VanDerWaalsContact C-N 3.31Å; G511-Q514 PolarHBondContact O-NE2 3Å
512I93.1Very high93.5Very high4 Ų443 Ų432%0.02120%0.196CC..G310 helixtrans-80.5-14.4177.4-150.5173.4000112.6M90 A497 V508 N509 A510 Q514 F517 L531 A534M90-I512 HydrophobicContact CE-CG1 4.27Å; A497-I512 HydrophobicContact CB-CD1 3.97Å; V508-I512 HydrophobicContact CG1-CG2 3.63Å; N509-I512 VanDerWaalsContact O-CG2 3.25Å; N509-I512 WeakPolarHBondContact O-CG2 3.11Å; N509-I512 PolarHBondContact O-N 3.42Å; A510-I512 PolarHBondContact O-N 2.83Å; I512-Q514 PolarHBondContact O-N 3.17Å; I512-F517 HydrophobicContact CD1-CD1 4.37Å; I512-F517 HydrophobicContact CG1-CB 4.18Å; I512-F517 HydrophobicContact CG1-CD1 4.3Å; I512-F517 HydrophobicContact CG1-CD2 4.49Å; I512-F517 HydrophobicContact CG1-CG 4.05Å; I512-F517 WeakPolarHBondContact O-CB 3.28Å; I512-L531 HydrophobicContact CG2-CD1 4.23Å; I512-A534 HydrophobicContact CD1-CB 4.43Å
513F93.8Very high93.7Very high12 Ų1237.1 Ų37.15%0.05318%0.182CC..SBendtrans-84.356.5-169.8-156.8-101.6000111.8V385 H389 V393 L434 A510 G511 Y518 L531V385-F513 HydrophobicContact CG1-CB 4.45Å; V385-F513 HydrophobicContact CG1-CD1 4.06Å; V385-F513 HydrophobicContact CG1-CG 4.49Å; H389-F513 HydrophobicContact CB-CD1 4.33Å; H389-F513 HydrophobicContact CB-CE1 3.46Å; H389-F513 VanDerWaalsContact CB-CE1 3.46Å; H389-F513 HydrophobicContact CB-CZ 3.55Å; H389-F513 AromaticContact CD2-CE1 3.61Å; H389-F513 AromaticContact CD2-CZ 3.93Å; H389-F513 AromaticContact CG-CE1 3.3Å; H389-F513 AromaticContact CG-CZ 3.77Å; H389-F513 AromaticContact ND1-CE1 3.65Å; V393-F513 HydrophobicContact CG2-CD2 3.99Å; V393-F513 HydrophobicContact CG2-CE2 3.54Å; L434-F513 HydrophobicContact CD1-CD1 4.47Å; L434-F513 HydrophobicContact CD1-CD2 4.2Å; L434-F513 HydrophobicContact CD1-CE2 4.26Å; L434-F513 HydrophobicContact CD1-CG 4.28Å; L434-F513 HydrophobicContact CD1-CZ 4.39Å; L434-F513 HydrophobicContact CD2-CB 3.75Å; L434-F513 HydrophobicContact CD2-CD2 3.65Å; L434-F513 HydrophobicContact CD2-CE2 4.39Å; L434-F513 HydrophobicContact CD2-CG 3.79Å; A510-F513 WeakPolarHBondContact O-CB 3.42Å; A510-F513 PolarHBondContact O-N 3.25Å; G511-F513 VanDerWaalsContact C-N 3.31Å; F513-Y518 AromaticContact CD1-CD1 3.64Å; F513-Y518 HydrophobicContact CD1-CD1 3.64Å; F513-Y518 AromaticContact CD1-CE1 3.81Å; F513-Y518 HydrophobicContact CD1-CE1 3.81Å; F513-Y518 HydrophobicContact CD1-CG 4.09Å; F513-Y518 HydrophobicContact CD2-CD1 4.3Å; F513-Y518 AromaticContact CD2-CD2 4Å; F513-Y518 HydrophobicContact CD2-CD2 4Å; F513-Y518 HydrophobicContact CD2-CE2 4.43Å; F513-Y518 AromaticContact CD2-CG 3.91Å; F513-Y518 HydrophobicContact CD2-CG 3.91Å; F513-Y518 AromaticContact CE1-CD1 3.41Å; F513-Y518 HydrophobicContact CE1-CD1 3.41Å; F513-Y518 VanDerWaalsContact CE1-CD1 3.41Å; F513-Y518 HydrophobicContact CE1-CD2 4.21Å; F513-Y518 AromaticContact CE1-CE1 3.09Å; F513-Y518 HydrophobicContact CE1-CE1 3.09Å; F513-Y518 AromaticContact CE1-CE2 3.95Å; F513-Y518 HydrophobicContact CE1-CE2 3.95Å; F513-Y518 AromaticContact CE1-CG 3.95Å; F513-Y518 HydrophobicContact CE1-CG 3.95Å; F513-Y518 AromaticContact CE1-CZ 3.38Å; F513-Y518 HydrophobicContact CE2-CD1 4.12Å; F513-Y518 AromaticContact CE2-CD2 3.46Å; F513-Y518 HydrophobicContact CE2-CD2 3.46Å; F513-Y518 VanDerWaalsContact CE2-CD2 3.46Å; F513-Y518 HydrophobicContact CE2-CE1 4.14Å; F513-Y518 AromaticContact CE2-CE2 3.49Å; F513-Y518 HydrophobicContact CE2-CE2 3.49Å; F513-Y518 VanDerWaalsContact CE2-CE2 3.49Å; F513-Y518 AromaticContact CE2-CG 3.78Å; F513-Y518 HydrophobicContact CE2-CG 3.78Å; F513-Y518 AromaticContact CE2-CZ 3.83Å; F513-Y518 HydrophobicContact CG-CD1 4.1Å; F513-Y518 HydrophobicContact CG-CG 4.09Å; F513-Y518 AromaticContact CZ-CD1 3.7Å; F513-Y518 HydrophobicContact CZ-CD1 3.7Å; F513-Y518 AromaticContact CZ-CD2 3.61Å; F513-Y518 HydrophobicContact CZ-CD2 3.61Å; F513-Y518 AromaticContact CZ-CE1 3.32Å; F513-Y518 HydrophobicContact CZ-CE1 3.32Å; F513-Y518 AromaticContact CZ-CE2 3.22Å; F513-Y518 HydrophobicContact CZ-CE2 3.22Å; F513-Y518 AromaticContact CZ-CG 3.82Å; F513-Y518 HydrophobicContact CZ-CG 3.82Å; F513-Y518 AromaticContact CZ-CZ 3.04Å; F513-Y518 WeakPolarHBondContact CZ-OH 3.47Å; F513-L531 HydrophobicContact CD2-CD2 3.96Å; F513-L531 HydrophobicContact CE2-CD2 3.85Å
514Q93.3Very high93.8Very high26 Ų2635.3 Ų35.312%0.12118%0.175CC..SBendtrans-153.5163.7179.954.8179.7-52.900111.3M90 T94 G511 I512 F517 Y518M90-Q514 HydrophobicContact CG-CG 3.42Å; M90-Q514 VanDerWaalsContact CG-CG 3.42Å; M90-Q514 PolarHBondContact O-NE2 3.01Å; M90-Q514 HydrophobicContact SD-CG 3.48Å; M90-Q514 WeakPolarHBondContact SD-CG 3.42Å; T94-Q514 PolarHBondContact OG1-NE2 3.27Å; G511-Q514 PolarHBondContact O-NE2 3Å; I512-Q514 PolarHBondContact O-N 3.17Å; Q514-F517 WeakPolarHBondContact O-CA 3.31Å; Q514-F517 PolarHBondContact O-N 2.93Å; Q514-Y518 CarbonylContact C-O 3.59Å; Q514-Y518 PolarHBondContact O-N 3.48Å
515F92.1Very high93.8Very high96 Ų9635.2 Ų35.242%0.42117%0.174SC..THydrogen-bonded Turntrans-60.7135.3178.7177.3-84.8000111.8K93 Y518 Y519K93-F515 PolarHBondContact NZ-O 2.95Å; K93-F515 VanDerWaalsContact NZ-O 3.11Å; F515-Y518 PolarHBondContact N-O 3.38Å; F515-Y519 HydrophobicContact CD2-CD1 4.1Å; F515-Y519 AromaticContact CD2-CE1 3.5Å; F515-Y519 HydrophobicContact CD2-CE1 3.5Å; F515-Y519 VanDerWaalsContact CD2-CE1 3.5Å; F515-Y519 AromaticContact CD2-CZ 3.8Å; F515-Y519 HydrophobicContact CE2-CD1 4.43Å; F515-Y519 AromaticContact CE2-CE1 3.45Å; F515-Y519 HydrophobicContact CE2-CE1 3.45Å; F515-Y519 VanDerWaalsContact CE2-CE1 3.45Å; F515-Y519 AromaticContact CE2-CZ 3.68Å; F515-Y519 WeakPolarHBondContact CE2-OH 3.16Å
516P92.6Very high93.8Very high9 Ų931 Ų316%0.05816%0.159CC..THydrogen-bonded Turncis-92.84.110.836.3-37.6000115.9T86 Y519 A530T86-P516 HydrophobicContact CG2-CG 3.86Å; P516-Y519 WeakPolarHBondContact O-CE2 3.49Å; P516-A530 WeakPolarHBondContact O-CB 3.35Å
517F91.7Very high93.7Very high1 Ų132.4 Ų32.40%0.00417%0.165CC..THydrogen-bonded Turntrans-78.5-37.7-178.7-74.4-85.4000112.5F87 M90 I512 Q514 A530 L531 W533 A534 S645F87-F517 HydrophobicContact CD1-CE2 4.29Å; F87-F517 HydrophobicContact CD1-CZ 4.35Å; F87-F517 HydrophobicContact CD2-CE2 4.42Å; F87-F517 HydrophobicContact CD2-CZ 4.2Å; F87-F517 HydrophobicContact CE1-CE1 4.35Å; F87-F517 HydrophobicContact CE1-CE2 4.04Å; F87-F517 AromaticContact CE1-CZ 3.7Å; F87-F517 HydrophobicContact CE1-CZ 3.7Å; F87-F517 HydrophobicContact CE2-CE1 4.48Å; F87-F517 HydrophobicContact CE2-CE2 4.18Å; F87-F517 AromaticContact CE2-CZ 3.54Å; F87-F517 HydrophobicContact CE2-CZ 3.54Å; F87-F517 HydrophobicContact CG-CE2 4.48Å; F87-F517 AromaticContact CZ-CE1 3.89Å; F87-F517 HydrophobicContact CZ-CE1 3.89Å; F87-F517 AromaticContact CZ-CE2 3.99Å; F87-F517 HydrophobicContact CZ-CE2 3.99Å; F87-F517 AromaticContact CZ-CZ 3.24Å; F87-F517 HydrophobicContact CZ-CZ 3.24Å; M90-F517 HydrophobicContact CE-CD2 3.61Å; M90-F517 HydrophobicContact CE-CE2 3.72Å; M90-F517 HydrophobicContact SD-CD2 3.92Å; I512-F517 HydrophobicContact CD1-CD1 4.37Å; I512-F517 HydrophobicContact CG1-CB 4.18Å; I512-F517 HydrophobicContact CG1-CD1 4.3Å; I512-F517 HydrophobicContact CG1-CD2 4.49Å; I512-F517 HydrophobicContact CG1-CG 4.05Å; I512-F517 WeakPolarHBondContact O-CB 3.28Å; Q514-F517 WeakPolarHBondContact O-CA 3.31Å; Q514-F517 PolarHBondContact O-N 2.93Å; F517-A530 WeakPolarHBondContact O-CB 3.26Å; F517-L531 VanDerWaalsContact O-CB 3.24Å; F517-L531 WeakPolarHBondContact O-CB 3.26Å; F517-L531 PolarHBondContact O-N 3.47Å; F517-W533 HydrophobicContact CE1-CZ3 4.36Å; F517-A534 HydrophobicContact CD1-CB 4.46Å; F517-S645 WeakPolarHBondContact CZ-O 3.32Å
518Y93.4Very high93.7Very high17 Ų1731.3 Ų31.37%0.06716%0.161CC..  trans-121.7138.3178.7-177.9-110.6000112.6E392 F513 Q514 F515 E520 L531E392-Y518 WeakPolarHBondContact OE2-CE2 3.3Å; E392-Y518 PolarHBondContact OE2-OH 3.4Å; F513-Y518 AromaticContact CD1-CD1 3.64Å; F513-Y518 HydrophobicContact CD1-CD1 3.64Å; F513-Y518 AromaticContact CD1-CE1 3.81Å; F513-Y518 HydrophobicContact CD1-CE1 3.81Å; F513-Y518 HydrophobicContact CD1-CG 4.09Å; F513-Y518 HydrophobicContact CD2-CD1 4.3Å; F513-Y518 AromaticContact CD2-CD2 4Å; F513-Y518 HydrophobicContact CD2-CD2 4Å; F513-Y518 HydrophobicContact CD2-CE2 4.43Å; F513-Y518 AromaticContact CD2-CG 3.91Å; F513-Y518 HydrophobicContact CD2-CG 3.91Å; F513-Y518 AromaticContact CE1-CD1 3.41Å; F513-Y518 HydrophobicContact CE1-CD1 3.41Å; F513-Y518 VanDerWaalsContact CE1-CD1 3.41Å; F513-Y518 HydrophobicContact CE1-CD2 4.21Å; F513-Y518 AromaticContact CE1-CE1 3.09Å; F513-Y518 HydrophobicContact CE1-CE1 3.09Å; F513-Y518 AromaticContact CE1-CE2 3.95Å; F513-Y518 HydrophobicContact CE1-CE2 3.95Å; F513-Y518 AromaticContact CE1-CG 3.95Å; F513-Y518 HydrophobicContact CE1-CG 3.95Å; F513-Y518 AromaticContact CE1-CZ 3.38Å; F513-Y518 HydrophobicContact CE2-CD1 4.12Å; F513-Y518 AromaticContact CE2-CD2 3.46Å; F513-Y518 HydrophobicContact CE2-CD2 3.46Å; F513-Y518 VanDerWaalsContact CE2-CD2 3.46Å; F513-Y518 HydrophobicContact CE2-CE1 4.14Å; F513-Y518 AromaticContact CE2-CE2 3.49Å; F513-Y518 HydrophobicContact CE2-CE2 3.49Å; F513-Y518 VanDerWaalsContact CE2-CE2 3.49Å; F513-Y518 AromaticContact CE2-CG 3.78Å; F513-Y518 HydrophobicContact CE2-CG 3.78Å; F513-Y518 AromaticContact CE2-CZ 3.83Å; F513-Y518 HydrophobicContact CG-CD1 4.1Å; F513-Y518 HydrophobicContact CG-CG 4.09Å; F513-Y518 AromaticContact CZ-CD1 3.7Å; F513-Y518 HydrophobicContact CZ-CD1 3.7Å; F513-Y518 AromaticContact CZ-CD2 3.61Å; F513-Y518 HydrophobicContact CZ-CD2 3.61Å; F513-Y518 AromaticContact CZ-CE1 3.32Å; F513-Y518 HydrophobicContact CZ-CE1 3.32Å; F513-Y518 AromaticContact CZ-CE2 3.22Å; F513-Y518 HydrophobicContact CZ-CE2 3.22Å; F513-Y518 AromaticContact CZ-CG 3.82Å; F513-Y518 HydrophobicContact CZ-CG 3.82Å; F513-Y518 AromaticContact CZ-CZ 3.04Å; F513-Y518 WeakPolarHBondContact CZ-OH 3.47Å; Q514-Y518 CarbonylContact C-O 3.59Å; Q514-Y518 PolarHBondContact O-N 3.48Å; F515-Y518 PolarHBondContact N-O 3.38Å; Y518-E520 HydrophobicContact CD1-CB 4.5Å; Y518-E520 HydrophobicContact CE1-CB 3.7Å; Y518-E520 HydrophobicContact CE1-CG 4.11Å; Y518-L531 HydrophobicContact CD2-CD2 3.92Å
519Y89Confident93.8Very high45 Ų4531.3 Ų31.318%0.17616%0.161CC..  trans-124.699.7176.9-62.6-99.8000107.9F515 P516 N521 G522 K527 A530F515-Y519 HydrophobicContact CD2-CD1 4.1Å; F515-Y519 AromaticContact CD2-CE1 3.5Å; F515-Y519 HydrophobicContact CD2-CE1 3.5Å; F515-Y519 VanDerWaalsContact CD2-CE1 3.5Å; F515-Y519 AromaticContact CD2-CZ 3.8Å; F515-Y519 HydrophobicContact CE2-CD1 4.43Å; F515-Y519 AromaticContact CE2-CE1 3.45Å; F515-Y519 HydrophobicContact CE2-CE1 3.45Å; F515-Y519 VanDerWaalsContact CE2-CE1 3.45Å; F515-Y519 AromaticContact CE2-CZ 3.68Å; F515-Y519 WeakPolarHBondContact CE2-OH 3.16Å; P516-Y519 WeakPolarHBondContact O-CE2 3.49Å; Y519-N521 PolarHBondContact O-N 3.02Å; Y519-G522 WeakPolarHBondContact O-CA 3.26Å; Y519-G522 PolarHBondContact O-N 2.93Å; Y519-K527 WeakPolarHBondContact O-CE 3.35Å; Y519-A530 HydrophobicContact CE2-CB 4.21Å
520E86.2Confident93.8Very high115 Ų11531.1 Ų31.154%0.53716%0.16SC..THydrogen-bonded Turntrans-51.7-52.2-172.6-168.1168.5-176.100112.8H389 Y518 K527H389-E520 IonicContact CE1-OE1 3.28Å; H389-E520 IonicContact NE2-OE1 2.79Å; H389-E520 PolarHBondContact NE2-OE1 3.41Å; Y518-E520 HydrophobicContact CD1-CB 4.5Å; Y518-E520 HydrophobicContact CE1-CB 3.7Å; Y518-E520 HydrophobicContact CE1-CG 4.11Å; E520-K527 WeakPolarHBondContact O-CE 3.3Å; E520-K527 PolarHBondContact O-NZ 3.13Å
521N88.5Confident93.8Very high161 Ų16131.2 Ų31.286%0.86116%0.161SC*.THydrogen-bonded Turntrans-99.423.9174.7-61.8-42.8000112.9Y519Y519-N521 PolarHBondContact O-N 3.02Å
522G90.1Very high93.9Very high21 Ų2131.2 Ų31.222%0.21616%0.161CC..  trans-71.3156.8179.400000113.1Y519 S526 K527Y519-G522 WeakPolarHBondContact O-CA 3.26Å; Y519-G522 PolarHBondContact O-N 2.93Å; G522-S526 WeakPolarHBondContact CA-OG 3.39Å; G522-K527 VanDerWaalsContact O-CE 3.3Å; G522-K527 WeakPolarHBondContact O-CE 3.3Å
523S94.3Very high94.2Very high51 Ų5131.2 Ų31.236%0.35716%0.161SC..  trans-68.8166171.669.80000111.1A525 S526 K527 L637S523-A525 PolarHBondContact O-N 3.05Å; S523-A525 PolarHBondContact OG-N 2.96Å; S523-S526 PolarHBondContact N-OG 3.48Å; S523-S526 VanDerWaalsContact N-OG 3.07Å; S523-S526 PolarHBondContact O-N 2.96Å; S523-S526 PolarHBondContact O-OG 2.81Å; S523-S526 PolarHBondContact OG-N 3.38Å; S523-K527 WeakPolarHBondContact O-CG 3.3Å; S523-K527 PolarHBondContact O-N 2.91Å; S523-L637 VanDerWaalsContact OG-CD2 3.3Å; S523-L637 WeakPolarHBondContact OG-CD2 3.39Å
524L94.9Very high94.4Very high51 Ų5131 Ų3127%0.26716%0.161SC..Hα-helixtrans-54.8-39.5171.7-70.7167.3000111.4K527 Y528 Y613 L616 Y620L524-K527 PolarHBondContact O-N 3.43Å; L524-Y528 HydrophobicContact CD2-CD2 4.38Å; L524-Y528 HydrophobicContact CD2-CE2 4.06Å; L524-Y528 WeakPolarHBondContact O-CB 3.24Å; L524-Y528 WeakPolarHBondContact O-CD2 3.35Å; L524-Y528 PolarHBondContact O-N 3.33Å; L524-Y613 HydrophobicContact CB-CD2 3.98Å; L524-Y613 HydrophobicContact CB-CE2 4.36Å; L524-L616 HydrophobicContact CD1-CB 4.49Å; L524-Y620 HydrophobicContact CD1-CD2 3.61Å; L524-Y620 HydrophobicContact CD1-CE2 4.12Å; L524-Y620 HydrophobicContact CD2-CE2 4.35Å
525A96.9Very high94.6Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-59.4-48.7177.600000112.1S523 G529 Y613 S634 L637 F638S523-A525 PolarHBondContact O-N 3.05Å; S523-A525 PolarHBondContact OG-N 2.96Å; A525-G529 WeakPolarHBondContact O-CA 3.31Å; A525-G529 PolarHBondContact O-N 2.96Å; A525-Y613 HydrophobicContact CB-CD2 4.3Å; A525-Y613 HydrophobicContact CB-CE2 3.74Å; A525-S634 WeakPolarHBondContact CB-O 3.37Å; A525-L637 HydrophobicContact CB-CB 4.26Å; A525-L637 HydrophobicContact CB-CD2 4.3Å; A525-L637 HydrophobicContact CB-CG 4.28Å; A525-F638 HydrophobicContact CB-CB 4.09Å; A525-F638 WeakPolarHBondContact O-CA 3.4Å
526S96.7Very high94.9Very high6 Ų625.3 Ų25.34%0.04214%0.136CC..Hα-helixtrans-69.6-38.4-179.9580000112.8G522 S523 A530 S641G522-S526 WeakPolarHBondContact CA-OG 3.39Å; S523-S526 PolarHBondContact N-OG 3.48Å; S523-S526 VanDerWaalsContact N-OG 3.07Å; S523-S526 PolarHBondContact O-N 2.96Å; S523-S526 PolarHBondContact O-OG 2.81Å; S523-S526 PolarHBondContact OG-N 3.38Å; S526-A530 PolarHBondContact O-N 3.18Å; S526-S641 WeakPolarHBondContact CA-OG 3.41Å; S526-S641 WeakPolarHBondContact CB-OG 3.48Å
527K97Very high95.2Very high29 Ų2925 Ų2513%0.12613%0.134CC..Hα-helixtrans-65.9-45.9179.5-71.6179.6172.7-171.40112E392 M396 Y519 E520 G522 S523 L524 L531 G532E392-K527 VanDerWaalsContact OE1-CD 3.23Å; E392-K527 WeakPolarHBondContact OE1-CD 3.4Å; E392-K527 VanDerWaalsContact OE1-CE 3.25Å; E392-K527 WeakPolarHBondContact OE1-CE 3.3Å; E392-K527 IonicContact OE1-NZ 3.82Å; E392-K527 PolarHBondContact OE1-NZ 2.92Å; E392-K527 IonicContact OE2-NZ 2.95Å; M396-K527 HydrophobicContact CE-CB 4.4Å; M396-K527 WeakPolarHBondContact CE-O 3.47Å; Y519-K527 WeakPolarHBondContact O-CE 3.35Å; E520-K527 WeakPolarHBondContact O-CE 3.3Å; E520-K527 PolarHBondContact O-NZ 3.13Å; G522-K527 VanDerWaalsContact O-CE 3.3Å; G522-K527 WeakPolarHBondContact O-CE 3.3Å; S523-K527 WeakPolarHBondContact O-CG 3.3Å; S523-K527 PolarHBondContact O-N 2.91Å; L524-K527 PolarHBondContact O-N 3.43Å; K527-L531 PolarHBondContact O-N 3.15Å; K527-L531 VanDerWaalsContact O-N 3.15Å; K527-G532 PolarHBondContact O-N 3.27Å
528Y98.2Very high95.5Very high10 Ų1026.1 Ų26.14%0.03914%0.139CC..Iπ-helixtrans-80-27.3178.2-79.6-91.8000113M396 I400 L524 A530 G532 W533 S609 T612 L616 F638M396-Y528 HydrophobicContact CE-CD1 4.44Å; M396-Y528 HydrophobicContact CE-CD2 4.43Å; M396-Y528 HydrophobicContact CE-CE1 4.44Å; M396-Y528 HydrophobicContact CE-CE2 4.43Å; M396-Y528 HydrophobicContact CE-CG 4.43Å; M396-Y528 HydrophobicContact CG-CE2 4.32Å; I400-Y528 HydrophobicContact CD1-CE1 4.31Å; I400-Y528 HydrophobicContact CG1-CD1 4.47Å; I400-Y528 HydrophobicContact CG1-CE1 4.03Å; L524-Y528 HydrophobicContact CD2-CD2 4.38Å; L524-Y528 HydrophobicContact CD2-CE2 4.06Å; L524-Y528 WeakPolarHBondContact O-CB 3.24Å; L524-Y528 WeakPolarHBondContact O-CD2 3.35Å; L524-Y528 PolarHBondContact O-N 3.33Å; Y528-A530 VanDerWaalsContact C-N 3.28Å; Y528-A530 PolarHBondContact O-N 3.5Å; Y528-G532 CarbonylContact O-C 3.58Å; Y528-W533 PolarHBondContact O-N 3.36Å; Y528-S609 PolarHBondContact O-OG 3.14Å; Y528-T612 HydrophobicContact CD1-CG2 4.09Å; Y528-T612 HydrophobicContact CE1-CG2 3.45Å; Y528-T612 VanDerWaalsContact CE1-CG2 3.45Å; Y528-L616 HydrophobicContact CE1-CD1 4.26Å; Y528-L616 HydrophobicContact CE2-CD1 3.71Å; Y528-L616 VanDerWaalsContact CZ-CD1 3.43Å; Y528-L616 WeakPolarHBondContact OH-CD1 2.92Å; Y528-F638 VanDerWaalsContact C-CE2 3.45Å; Y528-F638 WeakPolarHBondContact O-CE2 3.33Å
529G98.1Very high95.8Very high0 Ų025.3 Ų25.30%014%0.136CC..Iπ-helixtrans-62.8-35.2173.600000112.5A525 W533 F638 F642A525-G529 WeakPolarHBondContact O-CA 3.31Å; A525-G529 PolarHBondContact O-N 2.96Å; G529-W533 WeakPolarHBondContact O-CB 3.22Å; G529-F638 WeakPolarHBondContact CA-O 3.45Å; G529-F642 WeakPolarHBondContact O-CA 3.48Å; G529-F642 WeakPolarHBondContact O-CB 3.42Å; G529-F642 PolarHBondContact O-N 3.32Å
530A97.4Very high96.2Very high0 Ų024 Ų240%013%0.131CC..Iπ-helixtrans-106.2-82.9-179.400000112.7P516 F517 Y519 S526 Y528 G532 W533 A534P516-A530 WeakPolarHBondContact O-CB 3.35Å; F517-A530 WeakPolarHBondContact O-CB 3.26Å; Y519-A530 HydrophobicContact CE2-CB 4.21Å; S526-A530 PolarHBondContact O-N 3.18Å; Y528-A530 VanDerWaalsContact C-N 3.28Å; Y528-A530 PolarHBondContact O-N 3.5Å; A530-G532 VanDerWaalsContact C-N 3.33Å; A530-G532 PolarHBondContact O-N 3.01Å; A530-W533 WeakPolarHBondContact O-CB 3.44Å; A530-W533 PolarHBondContact O-N 3.28Å; A530-W533 VanDerWaalsContact O-N 3.15Å; A530-A534 PolarHBondContact O-N 2.99Å
531L97.5Very high96.8Very high1 Ų119.3 Ų19.31%0.00511%0.109CC..Iπ-helixtrans-59.5-39.7-178.3-179.460000113.2V393 M396 V508 I512 F513 F517 Y518 K527 W533 A534 I535V393-L531 HydrophobicContact CG2-CD2 4.2Å; M396-L531 HydrophobicContact CE-CB 4.12Å; M396-L531 HydrophobicContact CE-CD2 4.37Å; M396-L531 HydrophobicContact CE-CG 4.14Å; M396-L531 HydrophobicContact SD-CD2 4.05Å; M396-L531 HydrophobicContact SD-CG 4.41Å; V508-L531 HydrophobicContact CG1-CD1 4.39Å; I512-L531 HydrophobicContact CG2-CD1 4.23Å; F513-L531 HydrophobicContact CD2-CD2 3.96Å; F513-L531 HydrophobicContact CE2-CD2 3.85Å; F517-L531 VanDerWaalsContact O-CB 3.24Å; F517-L531 WeakPolarHBondContact O-CB 3.26Å; F517-L531 PolarHBondContact O-N 3.47Å; Y518-L531 HydrophobicContact CD2-CD2 3.92Å; K527-L531 PolarHBondContact O-N 3.15Å; K527-L531 VanDerWaalsContact O-N 3.15Å; L531-W533 VanDerWaalsContact C-N 3.32Å; L531-W533 PolarHBondContact O-N 3.19Å; L531-A534 PolarHBondContact O-N 2.85Å; L531-I535 HydrophobicContact CD1-CD1 4.19Å; L531-I535 HydrophobicContact CD1-CG1 4.25Å; L531-I535 HydrophobicContact CG-CD1 3.96Å; L531-I535 HydrophobicContact CG-CG1 4.46Å; L531-I535 WeakPolarHBondContact O-CG1 3.43Å; L531-I535 PolarHBondContact O-N 3.34Å
532G98.1Very high97.2Very high0 Ų011.6 Ų11.60%07%0.068CC..Iπ-helixtrans-64.6-37.6177.700000112.5M396 I400 K527 Y528 A530 S536M396-G532 VanDerWaalsContact CE-N 3.34Å; I400-G532 VanDerWaalsContact CD1-O 3.31Å; I400-G532 WeakPolarHBondContact CD1-O 3.39Å; K527-G532 PolarHBondContact O-N 3.27Å; Y528-G532 CarbonylContact O-C 3.58Å; A530-G532 VanDerWaalsContact C-N 3.33Å; A530-G532 PolarHBondContact O-N 3.01Å; G532-S536 VanDerWaalsContact O-CB 3.26Å; G532-S536 WeakPolarHBondContact O-CB 3.47Å; G532-S536 PolarHBondContact O-N 2.88Å
533W98.3Very high97.4Very high5 Ų511.5 Ų11.52%0.0196%0.062CC..Hα-helixtrans-62.9-47.117216673.2000111.2F517 Y528 G529 A530 L531 I535 S536 H537 D602 S609 F642 L646F517-W533 HydrophobicContact CE1-CZ3 4.36Å; Y528-W533 PolarHBondContact O-N 3.36Å; G529-W533 WeakPolarHBondContact O-CB 3.22Å; A530-W533 WeakPolarHBondContact O-CB 3.44Å; A530-W533 PolarHBondContact O-N 3.28Å; A530-W533 VanDerWaalsContact O-N 3.15Å; L531-W533 VanDerWaalsContact C-N 3.32Å; L531-W533 PolarHBondContact O-N 3.19Å; W533-I535 PolarHBondContact O-N 3.41Å; W533-S536 CarbonylContact O-C 3.54Å; W533-S536 WeakPolarHBondContact O-CA 3.46Å; W533-S536 WeakPolarHBondContact O-CB 3.4Å; W533-S536 PolarHBondContact O-N 2.74Å; W533-H537 AromaticContact CZ2-ND1 3.92Å; W533-H537 PolarHBondContact O-N 2.66Å; W533-D602 WeakPolarHBondContact CZ2-OD1 3.37Å; W533-D602 PolarHBondContact NE1-O 3Å; W533-S609 PolarHBondContact N-OG 3.08Å; W533-F642 HydrophobicContact CB-CD2 4.32Å; W533-F642 AromaticContact CD1-CD2 3.93Å; W533-F642 AromaticContact CD1-CE2 3.81Å; W533-F642 AromaticContact CD2-CD2 3.63Å; W533-F642 HydrophobicContact CD2-CD2 3.63Å; W533-F642 AromaticContact CD2-CE2 3.6Å; W533-F642 HydrophobicContact CD2-CE2 3.6Å; W533-F642 AromaticContact CE2-CD2 3.96Å; W533-F642 AromaticContact CE2-CE2 3.41Å; W533-F642 VanDerWaalsContact CE2-CE2 3.41Å; W533-F642 HydrophobicContact CE3-CD2 4.11Å; W533-F642 HydrophobicContact CE3-CE2 4.22Å; W533-F642 AromaticContact CG-CD2 3.66Å; W533-F642 HydrophobicContact CG-CD2 3.66Å; W533-F642 AromaticContact CG-CE2 3.89Å; W533-F642 HydrophobicContact CG-CE2 3.89Å; W533-F642 HydrophobicContact CH2-CE2 4.5Å; W533-F642 AromaticContact CZ2-CE2 3.89Å; W533-F642 HydrophobicContact CZ2-CE2 3.89Å; W533-F642 AromaticContact NE1-CE2 3.48Å; W533-L646 HydrophobicContact CH2-CD1 3.61Å; W533-L646 HydrophobicContact CH2-CD2 3.72Å; W533-L646 HydrophobicContact CH2-CG 3.98Å; W533-L646 HydrophobicContact CZ2-CD1 3.96Å; W533-L646 HydrophobicContact CZ3-CD1 4Å; W533-L646 HydrophobicContact CZ3-CD2 3.9Å; W533-L646 HydrophobicContact CZ3-CG 4Å
534A97.9Very high97.4Very high8 Ų89.7 Ų9.77%0.0665%0.052CC..Hα-helixtrans-60.3-42.7178.100000112.4I512 F517 A530 L531 S536 H537 E538I512-A534 HydrophobicContact CD1-CB 4.43Å; F517-A534 HydrophobicContact CD1-CB 4.46Å; A530-A534 PolarHBondContact O-N 2.99Å; L531-A534 PolarHBondContact O-N 2.85Å; A534-S536 VanDerWaalsContact C-N 3.31Å; A534-S536 PolarHBondContact O-N 3.31Å; A534-H537 WeakPolarHBondContact O-CB 3.31Å; A534-H537 PolarHBondContact O-N 3.22Å; A534-E538 PolarHBondContact O-N 3.38Å
535I98.6Very high97.4Very high1 Ų17.3 Ų7.31%0.0054%0.039CC..Hα-helixtrans-62.7-42.6173.7-66.9168.2000110.3V393 M396 F397 I400 V508 L531 W533 E538 I539V393-I535 HydrophobicContact CG1-CD1 4.13Å; M396-I535 HydrophobicContact CB-CD1 4.14Å; F397-I535 HydrophobicContact CB-CG2 4.14Å; F397-I535 HydrophobicContact CD2-CG2 4.01Å; I400-I535 HydrophobicContact CD1-CB 3.99Å; I400-I535 HydrophobicContact CD1-CG2 3.83Å; V508-I535 HydrophobicContact CG2-CG1 4.16Å; L531-I535 HydrophobicContact CD1-CD1 4.19Å; L531-I535 HydrophobicContact CD1-CG1 4.25Å; L531-I535 HydrophobicContact CG-CD1 3.96Å; L531-I535 HydrophobicContact CG-CG1 4.46Å; L531-I535 WeakPolarHBondContact O-CG1 3.43Å; L531-I535 PolarHBondContact O-N 3.34Å; W533-I535 PolarHBondContact O-N 3.41Å; I535-E538 PolarHBondContact O-N 3.1Å; I535-I539 HydrophobicContact CG2-CD1 4.04Å; I535-I539 WeakPolarHBondContact O-CG1 3.31Å; I535-I539 PolarHBondContact O-N 2.78Å
536S98.7Very high97.2Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-67.4-35.9-179.5-161.90000112.9G532 W533 A534 E538 I539 M540 G605 A608G532-S536 VanDerWaalsContact O-CB 3.26Å; G532-S536 WeakPolarHBondContact O-CB 3.47Å; G532-S536 PolarHBondContact O-N 2.88Å; W533-S536 CarbonylContact O-C 3.54Å; W533-S536 WeakPolarHBondContact O-CA 3.46Å; W533-S536 WeakPolarHBondContact O-CB 3.4Å; W533-S536 PolarHBondContact O-N 2.74Å; A534-S536 VanDerWaalsContact C-N 3.31Å; A534-S536 PolarHBondContact O-N 3.31Å; S536-E538 VanDerWaalsContact C-N 3.33Å; S536-I539 PolarHBondContact O-N 2.96Å; S536-M540 WeakPolarHBondContact O-CG 3.21Å; S536-M540 PolarHBondContact O-N 2.78Å; S536-G605 VanDerWaalsContact CB-O 3.28Å; S536-G605 WeakPolarHBondContact CB-O 3.39Å; S536-G605 WeakPolarHBondContact OG-CA 3.18Å; S536-G605 PolarHBondContact OG-O 3.31Å; S536-A608 VanDerWaalsContact OG-CB 3.28Å; S536-A608 WeakPolarHBondContact OG-CB 3.47Å
537H98.4Very high97Very high4 Ų49.8 Ų9.82%0.0195%0.049CC..Hα-helixtrans-54.2-50.6171.4-177.5101.3000110.3W533 A534 I539 M540 H541 E598 A601 D602W533-H537 AromaticContact CZ2-ND1 3.92Å; W533-H537 PolarHBondContact O-N 2.66Å; A534-H537 WeakPolarHBondContact O-CB 3.31Å; A534-H537 PolarHBondContact O-N 3.22Å; H537-I539 VanDerWaalsContact C-N 3.33Å; H537-I539 PolarHBondContact O-N 2.83Å; H537-M540 WeakPolarHBondContact O-CB 3.45Å; H537-M540 PolarHBondContact O-N 3.43Å; H537-M540 VanDerWaalsContact O-N 3.08Å; H537-H541 AromaticContact CD2-CD2 3.69Å; H537-H541 AromaticContact CD2-NE2 3.45Å; H537-H541 PolarHBondContact CD2-NE2 2.98Å; H537-H541 AromaticContact NE2-CD2 3.84Å; H537-H541 AromaticContact NE2-CE1 3.97Å; H537-H541 AromaticContact NE2-NE2 3.09Å; H537-H541 PolarHBondContact NE2-NE2 2.85Å; H537-H541 PolarHBondContact O-N 3.37Å; H537-E598 IonicContact CE1-OE2 2.81Å; H537-E598 PolarHBondContact CE1-OE2 3.31Å; H537-E598 IonicContact NE2-OE2 3.35Å; H537-E598 PolarHBondContact NE2-OE2 3.36Å; H537-A601 WeakPolarHBondContact CE1-CB 3.45Å; H537-D602 IonicContact CE1-OD1 3.4Å; H537-D602 PolarHBondContact CE1-OD1 3.3Å; H537-D602 PolarHBondContact ND1-N 3.06Å; H537-D602 IonicContact ND1-OD1 3.57Å; H537-D602 PolarHBondContact ND1-OD1 3.16Å
538E98.4Very high96.9Very high24 Ų248.4 Ų8.411%0.1124%0.043CC..Hα-helixtrans-66.1-32.7178-60.8-50.614800113.2A497 Y498 Y499 I506 A534 I535 S536 M540 H541A497-E538 HydrophobicContact CB-CG 3.99Å; Y498-E538 VanDerWaalsContact C-OE2 3.25Å; Y498-E538 WeakPolarHBondContact CA-OE2 3.29Å; Y499-E538 PolarHBondContact N-OE2 2.94Å; I506-E538 HydrophobicContact CB-CB 4.5Å; I506-E538 HydrophobicContact CD1-CB 3.71Å; I506-E538 HydrophobicContact CG1-CB 4Å; I506-E538 HydrophobicContact CG2-CB 3.72Å; I506-E538 HydrophobicContact CG2-CG 4.21Å; A534-E538 PolarHBondContact O-N 3.38Å; I535-E538 PolarHBondContact O-N 3.1Å; S536-E538 VanDerWaalsContact C-N 3.33Å; E538-M540 VanDerWaalsContact C-N 3.33Å; E538-H541 PolarHBondContact O-N 2.81Å; E538-H541 IonicContact OE2-CD2 3.56Å
539I98.6Very high96.6Very high0 Ų010.3 Ų10.30%05%0.054CC..Hα-helixtrans-64.4-40.3171.8-66.5169.9000110.4F397 I400 K401 V404 I426 L429 I506 I535 S536 H537 H541 A542F397-I539 HydrophobicContact CD2-CD1 3.83Å; F397-I539 HydrophobicContact CD2-CG1 4.18Å; F397-I539 HydrophobicContact CE2-CD1 4.02Å; F397-I539 HydrophobicContact CE2-CG1 4Å; I400-I539 HydrophobicContact CB-CD1 3.88Å; I400-I539 HydrophobicContact CG2-CD1 3.48Å; I400-I539 VanDerWaalsContact CG2-CD1 3.48Å; K401-I539 HydrophobicContact CG-CD1 4.36Å; V404-I539 HydrophobicContact CG1-CG2 4.36Å; V404-I539 HydrophobicContact CG2-CG2 4.1Å; I426-I539 HydrophobicContact CD1-CG2 3.72Å; L429-I539 HydrophobicContact CD2-CB 4.32Å; L429-I539 HydrophobicContact CD2-CG1 3.89Å; L429-I539 HydrophobicContact CD2-CG2 4.07Å; I506-I539 HydrophobicContact CD1-CB 4.14Å; I506-I539 HydrophobicContact CD1-CG1 3.32Å; I535-I539 HydrophobicContact CG2-CD1 4.04Å; I535-I539 WeakPolarHBondContact O-CG1 3.31Å; I535-I539 PolarHBondContact O-N 2.78Å; S536-I539 PolarHBondContact O-N 2.96Å; H537-I539 VanDerWaalsContact C-N 3.33Å; H537-I539 PolarHBondContact O-N 2.83Å; I539-H541 VanDerWaalsContact C-N 3.29Å; I539-H541 PolarHBondContact O-N 3Å; I539-A542 VanDerWaalsContact O-CB 3.27Å; I539-A542 WeakPolarHBondContact O-CB 3.36Å; I539-A542 PolarHBondContact O-N 2.85Å
540M98Very high96.3Very high18 Ų1811.3 Ų11.39%0.0896%0.06CC..Hα-helixtrans-63.9-33.6179.1-67.9-48.8107.700112V404 S536 H537 E538 A542 I543 G544 A601 D604 A608V404-M540 HydrophobicContact CB-CE 4.3Å; V404-M540 HydrophobicContact CG1-CE 3.91Å; V404-M540 HydrophobicContact CG2-CE 3.35Å; S536-M540 WeakPolarHBondContact O-CG 3.21Å; S536-M540 PolarHBondContact O-N 2.78Å; H537-M540 WeakPolarHBondContact O-CB 3.45Å; H537-M540 PolarHBondContact O-N 3.43Å; H537-M540 VanDerWaalsContact O-N 3.08Å; E538-M540 VanDerWaalsContact C-N 3.33Å; M540-A542 PolarHBondContact O-N 3.2Å; M540-A542 VanDerWaalsContact O-N 3.16Å; M540-I543 CarbonylContact O-C 3.09Å; M540-I543 PolarHBondContact O-N 3Å; M540-I543 VanDerWaalsContact O-N 3.09Å; M540-I543 HydrophobicContact SD-CD1 4.27Å; M540-G544 PolarHBondContact O-N 2.9Å; M540-A601 HydrophobicContact CB-CB 4.09Å; M540-D604 HydrophobicContact CG-CB 3.79Å; M540-D604 HydrophobicContact SD-CB 3.66Å; M540-A608 HydrophobicContact CE-CB 4.11Å
541H97.4Very high96Very high15 Ų1513.2 Ų13.27%0.0697%0.07CC..Hα-helixtrans-59.2-25.4172.6-77.2-55.9000113.9Y499 H537 E538 I539 I543 G547 E597 E598Y499-H541 HydrophobicContact CD1-CB 3.83Å; Y499-H541 HydrophobicContact CG-CB 4.24Å; H537-H541 AromaticContact CD2-CD2 3.69Å; H537-H541 AromaticContact CD2-NE2 3.45Å; H537-H541 PolarHBondContact CD2-NE2 2.98Å; H537-H541 AromaticContact NE2-CD2 3.84Å; H537-H541 AromaticContact NE2-CE1 3.97Å; H537-H541 AromaticContact NE2-NE2 3.09Å; H537-H541 PolarHBondContact NE2-NE2 2.85Å; H537-H541 PolarHBondContact O-N 3.37Å; E538-H541 PolarHBondContact O-N 2.81Å; E538-H541 IonicContact OE2-CD2 3.56Å; I539-H541 VanDerWaalsContact C-N 3.29Å; I539-H541 PolarHBondContact O-N 3Å; H541-I543 VanDerWaalsContact C-N 3.3Å; H541-I543 PolarHBondContact O-N 2.88Å; H541-G547 WeakPolarHBondContact O-CA 3.45Å; H541-E597 IonicContact ND1-OE1 2.65Å; H541-E598 IonicContact CE1-OE1 3.33Å; H541-E598 PolarHBondContact CE1-OE1 3.18Å; H541-E598 VanDerWaalsContact CE1-OE1 3.25Å; H541-E598 IonicContact CE1-OE2 3.35Å; H541-E598 PolarHBondContact CE1-OE2 3.42Å; H541-E598 IonicContact NE2-OE1 3.89Å; H541-E598 IonicContact NE2-OE2 3.66Å; H541-E598 PolarHBondContact NE2-OE2 2.89Å
542A97Very high95.8Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-68.6-29.717700000113K425 I426 L429 Y499 I539 M540 G547K425-A542 WeakPolarHBondContact CD-O 3.34Å; K425-A542 VanDerWaalsContact CE-O 3.28Å; K425-A542 WeakPolarHBondContact CE-O 3.47Å; K425-A542 PolarHBondContact NZ-O 3.33Å; I426-A542 HydrophobicContact CD1-CB 4.23Å; L429-A542 HydrophobicContact CD1-CB 3.99Å; L429-A542 HydrophobicContact CD2-CB 4.42Å; Y499-A542 HydrophobicContact CD2-CB 4.37Å; Y499-A542 VanDerWaalsContact CE1-CA 3.5Å; Y499-A542 HydrophobicContact CE1-CB 4.03Å; Y499-A542 HydrophobicContact CE2-CB 3.88Å; I539-A542 VanDerWaalsContact O-CB 3.27Å; I539-A542 WeakPolarHBondContact O-CB 3.36Å; I539-A542 PolarHBondContact O-N 2.85Å; M540-A542 PolarHBondContact O-N 3.2Å; M540-A542 VanDerWaalsContact O-N 3.16Å; A542-G547 CarbonylContact O-C 3.37Å; A542-G547 WeakPolarHBondContact O-CA 3.17Å
543I95.9Very high95.5Very high18 Ų1817.9 Ų17.99%0.09210%0.104CC..Hα-helixtrans-122.17.3-175.655.6168.4000113.6V404 L408 M422 I426 M540 H541 V548V404-I543 HydrophobicContact CG1-CD1 3.89Å; L408-I543 HydrophobicContact CD1-CD1 4.15Å; L408-I543 HydrophobicContact CD2-CD1 4.08Å; L408-I543 HydrophobicContact CG-CD1 4.38Å; M422-I543 HydrophobicContact CB-CG2 3.94Å; M422-I543 HydrophobicContact CG-CB 4.36Å; M422-I543 HydrophobicContact CG-CG2 4.05Å; M422-I543 HydrophobicContact SD-CB 4.18Å; M422-I543 HydrophobicContact SD-CG2 4.46Å; I426-I543 HydrophobicContact CD1-CD1 4.22Å; I426-I543 HydrophobicContact CD1-CG1 4.25Å; I426-I543 HydrophobicContact CD1-CG2 3.66Å; I426-I543 HydrophobicContact CG1-CD1 4.36Å; I426-I543 HydrophobicContact CG1-CG2 3.81Å; M540-I543 CarbonylContact O-C 3.09Å; M540-I543 PolarHBondContact O-N 3Å; M540-I543 VanDerWaalsContact O-N 3.09Å; M540-I543 HydrophobicContact SD-CD1 4.27Å; H541-I543 VanDerWaalsContact C-N 3.3Å; H541-I543 PolarHBondContact O-N 2.88Å; I543-V548 WeakPolarHBondContact O-CG1 3.26Å
544G94.2Very high94.9Very high13 Ų1318.4 Ų18.413%0.13411%0.111CC..SBendtrans-76.5-17117300000113.1M540 K546 G547 V548M540-G544 PolarHBondContact O-N 2.9Å; G544-K546 PolarHBondContact O-N 3.32Å; G544-G547 PolarHBondContact O-N 2.9Å; G544-V548 PolarHBondContact O-N 3.38Å; G544-V548 VanDerWaalsContact O-N 3.13Å
545I94.1Very high94.3Very high2 Ų221.8 Ų21.81%0.0113%0.131CC..THydrogen-bonded Turntrans-50-50.5-172.1-62.4163.9000112.9V548 S566 I569 E570 T593 R596 L600I545-V548 WeakPolarHBondContact O-CG2 3.44Å; I545-S566 WeakPolarHBondContact O-CB 3.48Å; I545-S566 PolarHBondContact O-OG 3.41Å; I545-I569 HydrophobicContact CG1-CG2 3.79Å; I545-E570 HydrophobicContact CB-CG 4.48Å; I545-E570 HydrophobicContact CD1-CG 3.96Å; I545-E570 HydrophobicContact CG1-CG 3.97Å; I545-E570 HydrophobicContact CG2-CG 3.66Å; I545-E570 WeakPolarHBondContact CG2-OE1 3.26Å; I545-T593 HydrophobicContact CG2-CG2 3.81Å; I545-R596 HydrophobicContact CD1-CB 3.91Å; I545-L600 HydrophobicContact CD1-CD1 3.76Å; I545-L600 HydrophobicContact CG1-CD1 3.95Å
546K92.7Very high93.5Very high57 Ų5725.4 Ų25.425%0.24816%0.157CC..THydrogen-bonded Turntrans-90.1-22.1178.5-59.6-175.4-156.8157.50112.8K501 G544 V548 L549 T593 D594 E597K501-K546 VanDerWaalsContact NZ-CB 3.31Å; G544-K546 PolarHBondContact O-N 3.32Å; K546-V548 VanDerWaalsContact C-N 3.34Å; K546-L549 WeakPolarHBondContact O-CB 3.46Å; K546-L549 PolarHBondContact O-N 3.11Å; K546-T593 HydrophobicContact CG-CG2 4.43Å; K546-D594 WeakPolarHBondContact CE-OD1 3.39Å; K546-D594 IonicContact NZ-OD1 2.57Å; K546-D594 PolarHBondContact NZ-OD1 2.93Å; K546-D594 IonicContact NZ-OD2 3.02Å; K546-D594 PolarHBondContact NZ-OD2 2.72Å; K546-E597 WeakPolarHBondContact CD-OE2 3.23Å; K546-E597 WeakPolarHBondContact CE-OE2 3.38Å; K546-E597 WeakPolarHBondContact CG-OE2 3.39Å; K546-E597 IonicContact NZ-OE2 3.55Å; K546-E597 PolarHBondContact NZ-OE2 3.3Å
547G93.2Very high92.4Very high0 Ų027.5 Ų27.50%017%0.167CC..G310 helixtrans-57.9-47.817800000111.1K425 H541 A542 G544 L549 V550K425-G547 PolarHBondContact NZ-O 3.46Å; H541-G547 WeakPolarHBondContact O-CA 3.45Å; A542-G547 CarbonylContact O-C 3.37Å; A542-G547 WeakPolarHBondContact O-CA 3.17Å; G544-G547 PolarHBondContact O-N 2.9Å; G547-L549 PolarHBondContact O-N 3.15Å; G547-V550 WeakPolarHBondContact O-CG2 3.14Å; G547-V550 PolarHBondContact O-N 3.19Å
548V93.9Very high90.6Very high0 Ų032.7 Ų32.70%020%0.204CC..G310 helixtrans-66.2-8.5-177.8-61.60000115.2F421 M422 I543 G544 I545 K546 V550 L565 I569F421-V548 HydrophobicContact CE1-CB 4.21Å; F421-V548 HydrophobicContact CE1-CG1 4.42Å; M422-V548 HydrophobicContact CE-CG1 3.91Å; I543-V548 WeakPolarHBondContact O-CG1 3.26Å; G544-V548 PolarHBondContact O-N 3.38Å; G544-V548 VanDerWaalsContact O-N 3.13Å; I545-V548 WeakPolarHBondContact O-CG2 3.44Å; K546-V548 VanDerWaalsContact C-N 3.34Å; V548-V550 PolarHBondContact O-N 3.07Å; V548-L565 HydrophobicContact CB-CD2 3.97Å; V548-L565 HydrophobicContact CB-CG 4.21Å; V548-L565 HydrophobicContact CG1-CD2 3.93Å; V548-L565 HydrophobicContact CG1-CG 4.21Å; V548-L565 HydrophobicContact CG2-CG 4.24Å; V548-I569 HydrophobicContact CB-CD1 4.5Å; V548-I569 HydrophobicContact CG1-CD1 3.75Å; V548-I569 HydrophobicContact CG2-CD1 3.97Å
549L93.1Very high89Confident50 Ų5033.2 Ų33.226%0.26222%0.216SC..G310 helixtrans-77-9.4176.5-59.6176.6000113.1K546 G547 L557 L563K546-L549 WeakPolarHBondContact O-CB 3.46Å; K546-L549 PolarHBondContact O-N 3.11Å; G547-L549 PolarHBondContact O-N 3.15Å; L549-L557 PolarHBondContact O-N 2.85Å; L549-L563 HydrophobicContact CD2-CD2 4.02Å
550V92.1Very high88.1Confident21 Ų2139.4 Ų39.413%0.12725%0.249CC..BIsolated β-bridgetrans-126.6144.2174.9-57.50000110.2K425 K501 G547 V548 T555K425-V550 WeakPolarHBondContact CE-O 3.29Å; K425-V550 PolarHBondContact NZ-O 2.8Å; K501-V550 HydrophobicContact CB-CG2 4.24Å; G547-V550 WeakPolarHBondContact O-CG2 3.14Å; G547-V550 PolarHBondContact O-N 3.19Å; V548-V550 PolarHBondContact O-N 3.07Å; V550-T555 VanDerWaalsContact CA-O 3.29Å; V550-T555 WeakPolarHBondContact CA-O 3.04Å
551D90.7Very high87.4Confident40 Ų4040.9 Ų40.921%0.21426%0.261CS..  trans-80.4-175.4175.870.821.9000112.8F421 S553 G554 T555 L557F421-D551 HydrophobicContact CE2-CB 4.08Å; D551-S553 PolarHBondContact O-N 3.38Å; D551-S553 WeakPolarHBondContact OD1-CA 3.2Å; D551-S553 WeakPolarHBondContact OD1-CB 3.47Å; D551-S553 PolarHBondContact OD1-N 2.9Å; D551-S553 PolarHBondContact OD1-OG 2.8Å; D551-S553 PolarHBondContact OD2-OG 2.71Å; D551-G554 PolarHBondContact O-N 3.3Å; D551-G554 PolarHBondContact OD1-N 3.25Å; D551-T555 PolarHBondContact N-O 2.99Å; D551-T555 PolarHBondContact OD1-N 2.79Å; D551-L557 HydrophobicContact CB-CD2 4.23Å; D551-L557 HydrophobicContact CB-CG 4.43Å
552A92.8Very high86.9Confident19 Ų1940.3 Ų40.316%0.15726%0.259CS..THydrogen-bonded Turntrans-67.1-16.9-179.900000114.4K425 K428 N504 G554K425-A552 HydrophobicContact CB-CB 4.49Å; K425-A552 HydrophobicContact CG-CB 4.43Å; K428-A552 HydrophobicContact CB-CB 4.05Å; K428-A552 HydrophobicContact CD-CB 3.59Å; K428-A552 HydrophobicContact CG-CB 4.46Å; N504-A552 WeakPolarHBondContact CB-O 3.42Å; A552-G554 VanDerWaalsContact C-N 3.35Å
553S90.8Very high86.5Confident80 Ų8045.2 Ų45.256%0.55928%0.284SS*.THydrogen-bonded Turntrans-90.5-1172.569.40000113D551 T555D551-S553 PolarHBondContact O-N 3.38Å; D551-S553 WeakPolarHBondContact OD1-CA 3.2Å; D551-S553 WeakPolarHBondContact OD1-CB 3.47Å; D551-S553 PolarHBondContact OD1-N 2.9Å; D551-S553 PolarHBondContact OD1-OG 2.8Å; D551-S553 PolarHBondContact OD2-OG 2.71Å; S553-T555 PolarHBondContact O-N 2.87Å; S553-T555 PolarHBondContact OG-OG1 3.48Å
554G85.8Confident86.3Confident16 Ų1648.8 Ų48.817%0.16530%0.303CS..SBendtrans76.310.4-174.300000113.6R502 D551 A552R502-G554 WeakPolarHBondContact O-CA 3.24Å; D551-G554 PolarHBondContact O-N 3.3Å; D551-G554 PolarHBondContact OD1-N 3.25Å; A552-G554 VanDerWaalsContact C-N 3.35Å
555T86.6Confident86.3Confident79 Ų7948.3 Ų48.349%0.48530%0.297SS..  trans-74130.5174.6-58.40000109.2V550 D551 S553 L557V550-T555 VanDerWaalsContact CA-O 3.29Å; V550-T555 WeakPolarHBondContact CA-O 3.04Å; D551-T555 PolarHBondContact N-O 2.99Å; D551-T555 PolarHBondContact OD1-N 2.79Å; S553-T555 PolarHBondContact O-N 2.87Å; S553-T555 PolarHBondContact OG-OG1 3.48Å; T555-L557 PolarHBondContact O-N 3.4Å
556S81.2Confident86.3Confident78 Ų7848.9 Ų48.955%0.54530%0.301SS..BIsolated β-bridgetrans-64.5124.6175.3-175.40000110.3S558S556-S558 PolarHBondContact O-N 3.36Å
557L75.3Confident86.3Confident43 Ų4348.5 Ų48.523%0.22531%0.309CS..  trans-77.279.7168-63.6178.2000107.7F421 L549 D551 T555 G559F421-L557 HydrophobicContact CE1-CD1 4.34Å; F421-L557 HydrophobicContact CE2-CD1 3.62Å; F421-L557 HydrophobicContact CZ-CD1 3.48Å; F421-L557 VanDerWaalsContact CZ-CD1 3.48Å; L549-L557 PolarHBondContact O-N 2.85Å; D551-L557 HydrophobicContact CB-CD2 4.23Å; D551-L557 HydrophobicContact CB-CG 4.43Å; T555-L557 PolarHBondContact O-N 3.4Å; L557-G559 PolarHBondContact O-N 3.25Å; L557-G559 VanDerWaalsContact O-N 3.15Å
558S61.1Low86.3Confident113 Ų11351.9 Ų51.979%0.7932%0.324SS*.  trans-65.8-6.9168.956.80000112.8S556S556-S558 PolarHBondContact O-N 3.36Å
559G65.6Low86.3Confident36 Ų3652.4 Ų52.437%0.37133%0.327SS..SBendtrans-74.415317700000113.6L557 S561 G562L557-G559 PolarHBondContact O-N 3.25Å; L557-G559 VanDerWaalsContact O-N 3.15Å; G559-S561 PolarHBondContact O-N 2.58Å; G559-G562 PolarHBondContact O-N 2.76Å
560L77.9Confident86.2Confident130 Ų13052.7 Ų52.768%0.68133%0.327SS*.Hα-helixtrans-50.3-30178.9-175.862.6000113.7I564L560-I564 HydrophobicContact CD1-CD1 4.09Å; L560-I564 HydrophobicContact CD1-CG1 4.24Å; L560-I564 HydrophobicContact CD2-CD1 4.18Å; L560-I564 HydrophobicContact CG-CD1 3.65Å; L560-I564 HydrophobicContact CG-CG1 4.23Å; L560-I564 VanDerWaalsContact O-CG1 3.25Å; L560-I564 WeakPolarHBondContact O-CG1 3.2Å; L560-I564 PolarHBondContact O-N 3.45Å
561S83.5Confident86.3Confident49 Ų4956 Ų5634%0.34335%0.347SS..Hα-helixtrans-66.4-42.6-177.754.60000114.2G559 L563 I564 L565G559-S561 PolarHBondContact O-N 2.58Å; S561-L563 VanDerWaalsContact C-N 3.35Å; S561-L563 PolarHBondContact O-N 3.06Å; S561-I564 PolarHBondContact O-N 3.4Å; S561-L565 WeakPolarHBondContact O-CB 3.31Å; S561-L565 PolarHBondContact O-N 3.38Å
562G86.8Confident86.3Confident2 Ų258.2 Ų58.22%0.02136%0.355CS..Hα-helixtrans-66-39.8-179.800000111.8G559 L565 S566G559-G562 PolarHBondContact O-N 2.76Å; G562-L565 PolarHBondContact O-N 2.96Å; G562-S566 WeakPolarHBondContact O-CB 3.32Å; G562-S566 PolarHBondContact O-N 3Å
563L90.1Very high86.1Confident104 Ų10457.6 Ų57.655%0.54535%0.35SS..Hα-helixtrans-67.1-42.1176.2-67.9173.9000112.5L549 S561 S566 A567L549-L563 HydrophobicContact CD2-CD2 4.02Å; S561-L563 VanDerWaalsContact C-N 3.35Å; S561-L563 PolarHBondContact O-N 3.06Å; L563-S566 PolarHBondContact O-N 3.5Å; L563-A567 WeakPolarHBondContact O-CB 3.46Å; L563-A567 PolarHBondContact O-N 3.29Å
564I92Very high86.2Confident93 Ų9356.2 Ų56.248%0.47734%0.34SS..Hα-helixtrans-61-47.9174.9-72.6172000110.2L560 S561 S566 A567 E568L560-I564 HydrophobicContact CD1-CD1 4.09Å; L560-I564 HydrophobicContact CD1-CG1 4.24Å; L560-I564 HydrophobicContact CD2-CD1 4.18Å; L560-I564 HydrophobicContact CG-CD1 3.65Å; L560-I564 HydrophobicContact CG-CG1 4.23Å; L560-I564 VanDerWaalsContact O-CG1 3.25Å; L560-I564 WeakPolarHBondContact O-CG1 3.2Å; L560-I564 PolarHBondContact O-N 3.45Å; S561-I564 PolarHBondContact O-N 3.4Å; I564-S566 PolarHBondContact O-N 2.84Å; I564-A567 PolarHBondContact O-N 3.36Å; I564-E568 WeakPolarHBondContact O-CB 3.25Å; I564-E568 PolarHBondContact O-N 3.31Å
565L93.2Very high86.5Confident3 Ų357.9 Ų57.92%0.01635%0.348CS..Hα-helixtrans-63-42.3-179.6-177.954000112L414 D418 F421 M422 V548 S561 G562 E568 I569L414-L565 HydrophobicContact CD2-CD1 3.62Å; D418-L565 HydrophobicContact CB-CD1 3.89Å; D418-L565 HydrophobicContact CB-CD2 4.05Å; F421-L565 HydrophobicContact CD1-CD2 3.94Å; F421-L565 HydrophobicContact CE1-CD2 4.22Å; M422-L565 HydrophobicContact CE-CD1 3.71Å; M422-L565 HydrophobicContact CE-CD2 3.73Å; M422-L565 HydrophobicContact CE-CG 3.95Å; V548-L565 HydrophobicContact CB-CD2 3.97Å; V548-L565 HydrophobicContact CB-CG 4.21Å; V548-L565 HydrophobicContact CG1-CD2 3.93Å; V548-L565 HydrophobicContact CG1-CG 4.21Å; V548-L565 HydrophobicContact CG2-CG 4.24Å; S561-L565 WeakPolarHBondContact O-CB 3.31Å; S561-L565 PolarHBondContact O-N 3.38Å; G562-L565 PolarHBondContact O-N 2.96Å; L565-E568 PolarHBondContact O-N 3.16Å; L565-I569 HydrophobicContact CD1-CD1 4.42Å; L565-I569 HydrophobicContact CD1-CG1 4.49Å; L565-I569 HydrophobicContact CG-CD1 4.26Å; L565-I569 VanDerWaalsContact O-CG1 3.29Å; L565-I569 WeakPolarHBondContact O-CG1 2.76Å; L565-I569 PolarHBondContact O-N 2.82Å
566S93.7Very high86.9Confident14 Ų1454.5 Ų54.510%0.09833%0.327CS..Hα-helixtrans-58.9-48.2174.5-172.80000111.8I545 G562 L563 I564 E568 I569 E570I545-S566 WeakPolarHBondContact O-CB 3.48Å; I545-S566 PolarHBondContact O-OG 3.41Å; G562-S566 WeakPolarHBondContact O-CB 3.32Å; G562-S566 PolarHBondContact O-N 3Å; L563-S566 PolarHBondContact O-N 3.5Å; I564-S566 PolarHBondContact O-N 2.84Å; S566-E568 VanDerWaalsContact C-N 3.35Å; S566-E568 PolarHBondContact O-N 3Å; S566-I569 PolarHBondContact O-N 2.88Å; S566-E570 PolarHBondContact O-N 3.35Å
567A93Very high87.3Confident49 Ų4951 Ų5141%0.40530%0.302SS..Hα-helixtrans-65.8-35.4178.500000112.9L563 I564 E570 T571L563-A567 WeakPolarHBondContact O-CB 3.46Å; L563-A567 PolarHBondContact O-N 3.29Å; I564-A567 PolarHBondContact O-N 3.36Å; A567-E570 PolarHBondContact O-N 2.91Å; A567-T571 WeakPolarHBondContact O-CB 3.47Å; A567-T571 PolarHBondContact O-N 3.39Å; A567-T571 PolarHBondContact O-OG1 2.74Å
568E92.9Very high88.1Confident70 Ų7052.3 Ų52.333%0.32731%0.31SS..Hα-helixtrans-66.8-44.7175.4-169.867.9-165.400110.5W413 I564 L565 S566 E570 T571 K572W413-E568 HydrophobicContact CE3-CG 3.56Å; W413-E568 HydrophobicContact CH2-CG 4.47Å; W413-E568 HydrophobicContact CZ3-CB 4.08Å; W413-E568 HydrophobicContact CZ3-CG 3.35Å; I564-E568 WeakPolarHBondContact O-CB 3.25Å; I564-E568 PolarHBondContact O-N 3.31Å; L565-E568 PolarHBondContact O-N 3.16Å; S566-E568 VanDerWaalsContact C-N 3.35Å; S566-E568 PolarHBondContact O-N 3Å; E568-E570 VanDerWaalsContact C-N 3.35Å; E568-E570 PolarHBondContact O-N 2.86Å; E568-T571 PolarHBondContact O-N 2.98Å; E568-T571 VanDerWaalsContact O-N 3.15Å; E568-K572 HydrophobicContact CG-CG 4.29Å; E568-K572 WeakPolarHBondContact O-CB 3.45Å; E568-K572 WeakPolarHBondContact O-CG 3.16Å; E568-K572 PolarHBondContact O-N 3.16Å; E568-K572 WeakPolarHBondContact OE1-CE 3.33Å; E568-K572 IonicContact OE1-NZ 3.56Å
569I93.9Very high89.6Confident12 Ų1248.5 Ų48.56%0.06228%0.28CS..Hα-helixtrans-56.7-49.1172.7-67163.4000110W413 M422 I545 V548 L565 S566 T571 K572 T573 L600W413-I569 HydrophobicContact CH2-CG1 3.81Å; M422-I569 HydrophobicContact CE-CD1 3.95Å; I545-I569 HydrophobicContact CG1-CG2 3.79Å; V548-I569 HydrophobicContact CB-CD1 4.5Å; V548-I569 HydrophobicContact CG1-CD1 3.75Å; V548-I569 HydrophobicContact CG2-CD1 3.97Å; L565-I569 HydrophobicContact CD1-CD1 4.42Å; L565-I569 HydrophobicContact CD1-CG1 4.49Å; L565-I569 HydrophobicContact CG-CD1 4.26Å; L565-I569 VanDerWaalsContact O-CG1 3.29Å; L565-I569 WeakPolarHBondContact O-CG1 2.76Å; L565-I569 PolarHBondContact O-N 2.82Å; S566-I569 PolarHBondContact O-N 2.88Å; I569-T571 VanDerWaalsContact C-N 3.28Å; I569-T571 PolarHBondContact O-N 3.13Å; I569-K572 PolarHBondContact O-N 3.45Å; I569-T573 HydrophobicContact CG2-CG2 4.18Å; I569-T573 VanDerWaalsContact O-CB 3.27Å; I569-T573 WeakPolarHBondContact O-CB 3.42Å; I569-T573 WeakPolarHBondContact O-CG2 3.39Å; I569-T573 PolarHBondContact O-N 2.92Å; I569-T573 PolarHBondContact O-OG1 3.29Å; I569-L600 HydrophobicContact CG2-CD1 4.29Å
570E92Very high91Very high56 Ų5646.8 Ų46.826%0.26226%0.262SS..Hα-helixtrans-58.9-40.1177.4-74-164166.200112.3I545 S566 A567 E568 T573 S574 T593 R596I545-E570 HydrophobicContact CB-CG 4.48Å; I545-E570 HydrophobicContact CD1-CG 3.96Å; I545-E570 HydrophobicContact CG1-CG 3.97Å; I545-E570 HydrophobicContact CG2-CG 3.66Å; I545-E570 WeakPolarHBondContact CG2-OE1 3.26Å; S566-E570 PolarHBondContact O-N 3.35Å; A567-E570 PolarHBondContact O-N 2.91Å; E568-E570 VanDerWaalsContact C-N 3.35Å; E568-E570 PolarHBondContact O-N 2.86Å; E570-T573 PolarHBondContact O-OG1 3.13Å; E570-S574 PolarHBondContact O-N 2.71Å; E570-T593 PolarHBondContact OE1-OG1 3.3Å; E570-R596 PolarHBondContact O-NH2 3.39Å
571T92.8Very high91.6Very high89 Ų8944.5 Ų44.555%0.54624%0.244SC..Hα-helixtrans-67.1-48.9-179.9-61.30000110.8A567 E568 I569 T573 S574A567-T571 WeakPolarHBondContact O-CB 3.47Å; A567-T571 PolarHBondContact O-N 3.39Å; A567-T571 PolarHBondContact O-OG1 2.74Å; E568-T571 PolarHBondContact O-N 2.98Å; E568-T571 VanDerWaalsContact O-N 3.15Å; I569-T571 VanDerWaalsContact C-N 3.28Å; I569-T571 PolarHBondContact O-N 3.13Å; T571-T573 PolarHBondContact O-N 3.1Å; T571-S574 WeakPolarHBondContact O-CB 3.45Å; T571-S574 PolarHBondContact O-N 3.29Å; T571-S574 PolarHBondContact O-OG 3.06Å
572K91.3Very high92Very high87 Ų8750.2 Ų50.238%0.37826%0.263SS..Hα-helixtrans-66.9-25.4-178.2-66.1-73.2174.9179.30113.2W413 E568 I569 V701W413-K572 HydrophobicContact CB-CD 4.24Å; W413-K572 HydrophobicContact CD2-CB 4.44Å; W413-K572 HydrophobicContact CD2-CD 3.93Å; W413-K572 HydrophobicContact CD2-CG 3.69Å; W413-K572 HydrophobicContact CE3-CD 4.31Å; W413-K572 HydrophobicContact CE3-CG 3.78Å; W413-K572 HydrophobicContact CG-CD 3.88Å; W413-K572 HydrophobicContact CG-CG 4.19Å; W413-K572 HydrophobicContact CH2-CG 4.31Å; W413-K572 HydrophobicContact CZ2-CB 4.23Å; W413-K572 HydrophobicContact CZ2-CG 4.24Å; W413-K572 HydrophobicContact CZ3-CG 4.1Å; E568-K572 HydrophobicContact CG-CG 4.29Å; E568-K572 WeakPolarHBondContact O-CB 3.45Å; E568-K572 WeakPolarHBondContact O-CG 3.16Å; E568-K572 PolarHBondContact O-N 3.16Å; E568-K572 WeakPolarHBondContact OE1-CE 3.33Å; E568-K572 IonicContact OE1-NZ 3.56Å; I569-K572 PolarHBondContact O-N 3.45Å; K572-V701 HydrophobicContact CB-CG1 3.79Å
573T89.6Confident92.2Very high7 Ų752.3 Ų52.34%0.04327%0.271CS..THydrogen-bonded Turntrans-99.50.2-178.860.50000114.2I569 E570 T571 C575 F576 L600 V701I569-T573 HydrophobicContact CG2-CG2 4.18Å; I569-T573 VanDerWaalsContact O-CB 3.27Å; I569-T573 WeakPolarHBondContact O-CB 3.42Å; I569-T573 WeakPolarHBondContact O-CG2 3.39Å; I569-T573 PolarHBondContact O-N 2.92Å; I569-T573 PolarHBondContact O-OG1 3.29Å; E570-T573 PolarHBondContact O-OG1 3.13Å; T571-T573 PolarHBondContact O-N 3.1Å; T573-C575 PolarHBondContact O-N 3.46Å; T573-F576 PolarHBondContact O-N 3.31Å; T573-L600 HydrophobicContact CG2-CD1 3.73Å; T573-L600 HydrophobicContact CG2-CD2 3.35Å; T573-L600 HydrophobicContact CG2-CG 4.16Å; T573-V701 HydrophobicContact CG2-CG2 3.93Å
574S91.3Very high92.2Very high50 Ų5054.3 Ų54.335%0.3528%0.275SS..Hα-helixtrans-57.4-24.2-17861.40000114.4E570 T571 F576 S577 N578E570-S574 PolarHBondContact O-N 2.71Å; T571-S574 WeakPolarHBondContact O-CB 3.45Å; T571-S574 PolarHBondContact O-N 3.29Å; T571-S574 PolarHBondContact O-OG 3.06Å; S574-F576 VanDerWaalsContact C-N 3.27Å; S574-F576 PolarHBondContact O-N 3.22Å; S574-S577 PolarHBondContact O-N 3.41Å; S574-N578 PolarHBondContact O-N 3.48Å; S574-N578 VanDerWaalsContact O-N 3.12Å
575C93.4Very high92Very high51 Ų5154.4 Ų54.435%0.34527%0.272SS..Hα-helixtrans-54.6-42.2172.4-170.80000111.9T573 S577 N578 Q579 C699T573-C575 PolarHBondContact O-N 3.46Å; C575-S577 PolarHBondContact O-N 3.44Å; C575-N578 CarbonylContact O-C 3.57Å; C575-N578 WeakPolarHBondContact O-CB 3.32Å; C575-N578 PolarHBondContact O-N 3.19Å; C575-N578 VanDerWaalsContact O-N 3.13Å; C575-Q579 PolarHBondContact O-N 3.39Å; C575-C699 HydrophobicContact CB-CB 3.85Å; C575-C699 WeakPolarHBondContact CB-SG 3.32Å; C575-C699 PolarHBondContact O-SG 2.87Å; C575-C699 VanDerWaalsContact O-SG 3.34Å; C575-C699 VanDerWaalsContact SG-CA 3.55Å; C575-C699 WeakPolarHBondContact SG-CB 3.36Å; C575-C699 CovalentContact SG-SG 2.05Å; C575-C699 PolarHBondContact SG-SG 3.34Å
576F93.9Very high91.7Very high8 Ų854.4 Ų54.44%0.03527%0.272CS..Hα-helixtrans-65.6-41.6-179.9-60.8-59.6000111.4T573 S574 N578 Q579 Y580 I599 L600 I603 N677 C699 V701T573-F576 PolarHBondContact O-N 3.31Å; S574-F576 VanDerWaalsContact C-N 3.27Å; S574-F576 PolarHBondContact O-N 3.22Å; F576-N578 VanDerWaalsContact C-N 3.25Å; F576-N578 PolarHBondContact O-N 2.91Å; F576-Q579 PolarHBondContact O-N 3.36Å; F576-Q579 VanDerWaalsContact O-N 3.1Å; F576-Y580 HydrophobicContact CB-CD2 4.39Å; F576-Y580 HydrophobicContact CB-CE2 4.49Å; F576-Y580 WeakPolarHBondContact O-CB 2.97Å; F576-Y580 VanDerWaalsContact O-CD2 3.22Å; F576-Y580 WeakPolarHBondContact O-CD2 3.26Å; F576-Y580 PolarHBondContact O-N 3.21Å; F576-I599 HydrophobicContact CB-CG2 4.06Å; F576-L600 HydrophobicContact CD2-CD2 3.67Å; F576-L600 HydrophobicContact CE2-CD2 3.81Å; F576-I603 HydrophobicContact CD1-CD1 3.47Å; F576-I603 VanDerWaalsContact CD1-CD1 3.47Å; F576-I603 HydrophobicContact CD2-CD1 4.29Å; F576-I603 HydrophobicContact CE1-CD1 3.51Å; F576-I603 HydrophobicContact CE1-CG2 4.38Å; F576-I603 HydrophobicContact CE2-CD1 4.31Å; F576-I603 HydrophobicContact CG-CD1 3.88Å; F576-I603 HydrophobicContact CZ-CD1 3.94Å; F576-I603 HydrophobicContact CZ-CG2 4.1Å; F576-N677 HydrophobicContact CE1-CB 4.38Å; F576-C699 HydrophobicContact CD1-CB 3.48Å; F576-C699 VanDerWaalsContact CD1-CB 3.48Å; F576-C699 HydrophobicContact CE1-CB 3.27Å; F576-C699 HydrophobicContact CG-CB 4.37Å; F576-C699 HydrophobicContact CZ-CB 4.03Å; F576-V701 HydrophobicContact CE2-CG2 3.83Å; F576-V701 HydrophobicContact CZ-CG2 4.42Å
577S90.5Very high91.2Very high5 Ų558.2 Ų58.24%0.03529%0.291CS..Hα-helixtrans-59.6-37.1172.8-66.80000112.7S574 C575 R581 A590 R596S574-S577 PolarHBondContact O-N 3.41Å; C575-S577 PolarHBondContact O-N 3.44Å; S577-R581 WeakPolarHBondContact O-CB 3.38Å; S577-R581 PolarHBondContact O-N 3.28Å; S577-A590 VanDerWaalsContact CB-O 3.29Å; S577-A590 WeakPolarHBondContact CB-O 3.36Å; S577-A590 PolarHBondContact OG-O 2.6Å; S577-R596 VanDerWaalsContact OG-CD 3.24Å; S577-R596 WeakPolarHBondContact OG-CD 3.45Å; S577-R596 WeakPolarHBondContact OG-CG 3.38Å; S577-R596 PolarHBondContact OG-NE 3.16Å; S577-R596 VanDerWaalsContact OG-NE 3.12Å
578N90.9Very high90.8Very high70 Ų7065.1 Ų65.137%0.37431%0.308SS..Hα-helixtrans-70.6-34.1175.3-67.2-26.3000112.4S574 C575 F576 R581 F582S574-N578 PolarHBondContact O-N 3.48Å; S574-N578 VanDerWaalsContact O-N 3.12Å; C575-N578 CarbonylContact O-C 3.57Å; C575-N578 WeakPolarHBondContact O-CB 3.32Å; C575-N578 PolarHBondContact O-N 3.19Å; C575-N578 VanDerWaalsContact O-N 3.13Å; F576-N578 VanDerWaalsContact C-N 3.25Å; F576-N578 PolarHBondContact O-N 2.91Å; N578-R581 VanDerWaalsContact O-CG 3.28Å; N578-R581 WeakPolarHBondContact O-CG 3.39Å; N578-R581 PolarHBondContact OD1-NH1 2.8Å; N578-R581 PolarHBondContact OD1-NH2 3.21Å; N578-F582 WeakPolarHBondContact O-CD2 3.4Å; N578-F582 WeakPolarHBondContact O-CE2 3.25Å
579Q93.3Very high90.5Very high34 Ų3462.2 Ų62.216%0.15930%0.295CS..Hα-helixtrans-71.5-51.6175.6-179.3-178.354.700110.7C575 F576 R581 F582 N677C575-Q579 PolarHBondContact O-N 3.39Å; F576-Q579 PolarHBondContact O-N 3.36Å; F576-Q579 VanDerWaalsContact O-N 3.1Å; Q579-R581 PolarHBondContact O-N 3.03Å; Q579-F582 PolarHBondContact O-N 3.02Å; Q579-N677 PolarHBondContact NE2-ND2 3.28Å; Q579-N677 PolarHBondContact NE2-OD1 3.45Å; Q579-N677 VanDerWaalsContact NE2-OD1 3.09Å; Q579-N677 PolarHBondContact OE1-ND2 3.35Å
580Y94.6Very high90.3Very high0 Ų061.7 Ų61.70%029%0.292CS..Hα-helixtrans-69.2-29.1-173-83-107.1000112.8F576 F582 Y583 T586 I599 I603 V665 Y669 G673F576-Y580 HydrophobicContact CB-CD2 4.39Å; F576-Y580 HydrophobicContact CB-CE2 4.49Å; F576-Y580 WeakPolarHBondContact O-CB 2.97Å; F576-Y580 VanDerWaalsContact O-CD2 3.22Å; F576-Y580 WeakPolarHBondContact O-CD2 3.26Å; F576-Y580 PolarHBondContact O-N 3.21Å; Y580-F582 PolarHBondContact O-N 3.15Å; Y580-Y583 AromaticContact CD1-CD2 3.78Å; Y580-Y583 HydrophobicContact CD1-CD2 3.78Å; Y580-Y583 AromaticContact CD1-CE2 3.96Å; Y580-Y583 HydrophobicContact CD1-CE2 3.96Å; Y580-Y583 HydrophobicContact CD2-CE2 4.39Å; Y580-Y583 HydrophobicContact CE1-CD2 4.37Å; Y580-Y583 HydrophobicContact CE1-CE2 4.23Å; Y580-Y583 HydrophobicContact CG-CD2 4.05Å; Y580-Y583 HydrophobicContact CG-CE2 4.08Å; Y580-Y583 WeakPolarHBondContact O-CB 2.89Å; Y580-Y583 PolarHBondContact O-N 3.26Å; Y580-T586 VanDerWaalsContact O-CB 3.29Å; Y580-T586 WeakPolarHBondContact O-CB 3.49Å; Y580-T586 PolarHBondContact O-OG1 2.69Å; Y580-I599 HydrophobicContact CD1-CD1 3.68Å; Y580-I599 HydrophobicContact CD1-CG1 4.02Å; Y580-I599 HydrophobicContact CD2-CD1 4.2Å; Y580-I599 HydrophobicContact CD2-CG2 4Å; Y580-I599 HydrophobicContact CE1-CD1 4.06Å; Y580-I599 HydrophobicContact CE1-CG1 3.86Å; Y580-I599 HydrophobicContact CE1-CG2 4.23Å; Y580-I599 HydrophobicContact CE2-CG2 3.47Å; Y580-I599 VanDerWaalsContact CE2-CG2 3.47Å; Y580-I599 HydrophobicContact CG-CD1 3.72Å; Y580-I599 HydrophobicContact CG-CG1 4.39Å; Y580-I603 HydrophobicContact CE2-CD1 4.18Å; Y580-V665 HydrophobicContact CD1-CG1 4.18Å; Y580-V665 HydrophobicContact CD1-CG2 4.37Å; Y580-V665 HydrophobicContact CE1-CG2 4.01Å; Y580-Y669 WeakPolarHBondContact CE1-O 3.16Å; Y580-G673 WeakPolarHBondContact OH-CA 3.35Å
581R91.7Very high90.1Very high82 Ų8263 Ų6331%0.30930%0.3SS..THydrogen-bonded Turntrans-60.9-15.8179.468.4172.959.5145.25.1115.1S577 N578 Q579 N587 L591S577-R581 WeakPolarHBondContact O-CB 3.38Å; S577-R581 PolarHBondContact O-N 3.28Å; N578-R581 VanDerWaalsContact O-CG 3.28Å; N578-R581 WeakPolarHBondContact O-CG 3.39Å; N578-R581 PolarHBondContact OD1-NH1 2.8Å; N578-R581 PolarHBondContact OD1-NH2 3.21Å; Q579-R581 PolarHBondContact O-N 3.03Å; R581-N587 WeakPolarHBondContact O-CA 3.04Å; R581-L591 VanDerWaalsContact NH2-CD2 3.28Å
582F90.6Very high90Very high169 Ų16963.3 Ų63.374%0.74130%0.295SS*.THydrogen-bonded Turntrans-91.1-8.8177.9-65-70.8000113.1N578 Q579 Y580N578-F582 WeakPolarHBondContact O-CD2 3.4Å; N578-F582 WeakPolarHBondContact O-CE2 3.25Å; Q579-F582 PolarHBondContact O-N 3.02Å; Y580-F582 PolarHBondContact O-N 3.15Å
583Y92.3Very high89.9Confident45 Ų4561.6 Ų61.618%0.17629%0.292CS..SBendtrans-72.8157169.4-62.8-31.7000111Y580 F585 T586 Y669Y580-Y583 AromaticContact CD1-CD2 3.78Å; Y580-Y583 HydrophobicContact CD1-CD2 3.78Å; Y580-Y583 AromaticContact CD1-CE2 3.96Å; Y580-Y583 HydrophobicContact CD1-CE2 3.96Å; Y580-Y583 HydrophobicContact CD2-CE2 4.39Å; Y580-Y583 HydrophobicContact CE1-CD2 4.37Å; Y580-Y583 HydrophobicContact CE1-CE2 4.23Å; Y580-Y583 HydrophobicContact CG-CD2 4.05Å; Y580-Y583 HydrophobicContact CG-CE2 4.08Å; Y580-Y583 WeakPolarHBondContact O-CB 2.89Å; Y580-Y583 PolarHBondContact O-N 3.26Å; Y583-F585 PolarHBondContact O-N 3.27Å; Y583-T586 VanDerWaalsContact C-OG1 3.27Å; Y583-T586 WeakPolarHBondContact CB-OG1 3.39Å; Y583-T586 PolarHBondContact O-OG1 3.26Å; Y583-Y669 AromaticContact CD1-CD1 3.87Å; Y583-Y669 HydrophobicContact CD1-CD1 3.87Å; Y583-Y669 AromaticContact CD1-CE1 3.76Å; Y583-Y669 HydrophobicContact CD1-CE1 3.76Å; Y583-Y669 AromaticContact CD2-CD1 3.58Å; Y583-Y669 HydrophobicContact CD2-CD1 3.58Å; Y583-Y669 HydrophobicContact CD2-CE1 4.26Å; Y583-Y669 AromaticContact CD2-CG 3.88Å; Y583-Y669 HydrophobicContact CD2-CG 3.88Å; Y583-Y669 HydrophobicContact CE1-CD1 4.45Å; Y583-Y669 HydrophobicContact CE2-CD1 4.2Å; Y583-Y669 AromaticContact CG-CD1 3.4Å; Y583-Y669 HydrophobicContact CG-CD1 3.4Å; Y583-Y669 AromaticContact CG-CE1 3.59Å; Y583-Y669 HydrophobicContact CG-CE1 3.59Å; Y583-Y669 AromaticContact CG-CG 3.94Å; Y583-Y669 HydrophobicContact CG-CG 3.94Å
584K90.3Very high90.1Very high146 Ų14665 Ų6564%0.63531%0.31SS*.THydrogen-bonded Turntrans-67139.4179.4-63.3-177.5176.4179.80109T586 Y669K584-T586 PolarHBondContact O-N 2.88Å; K584-Y669 HydrophobicContact CB-CE2 4.27Å; K584-Y669 WeakPolarHBondContact CB-OH 3.15Å; K584-Y669 PolarHBondContact N-OH 3.21Å; K584-Y669 VanDerWaalsContact N-OH 3.11Å; K584-Y669 WeakPolarHBondContact O-CE2 3.39Å
585F86.4Confident90.2Very high96 Ų9662.7 Ų62.742%0.42129%0.294SS..THydrogen-bonded Turntrans64.516.9176.6-48.7-79.9000115.9Y583 L655 S659 M666Y583-F585 PolarHBondContact O-N 3.27Å; F585-L655 HydrophobicContact CD2-CD1 4.31Å; F585-L655 HydrophobicContact CE1-CD2 4.15Å; F585-L655 HydrophobicContact CE1-CG 4.46Å; F585-L655 HydrophobicContact CE2-CD1 4.27Å; F585-L655 HydrophobicContact CE2-CD2 4.09Å; F585-L655 HydrophobicContact CZ-CD2 3.71Å; F585-L655 HydrophobicContact CZ-CG 4.36Å; F585-S659 WeakPolarHBondContact CB-OG 3.26Å; F585-M666 HydrophobicContact CB-CE 4.28Å; F585-M666 HydrophobicContact CD2-CE 3.57Å; F585-M666 HydrophobicContact CD2-SD 4.24Å; F585-M666 HydrophobicContact CE2-CE 4.39Å; F585-M666 HydrophobicContact CG-CE 4.34Å
586T86.8Confident90.2Very high3 Ų361.9 Ų61.92%0.01828%0.284CS..  trans-117.2-5.1-179.454.90000113.6Y580 Y583 K584 Y588 K589 A590 V665 Y669Y580-T586 VanDerWaalsContact O-CB 3.29Å; Y580-T586 WeakPolarHBondContact O-CB 3.49Å; Y580-T586 PolarHBondContact O-OG1 2.69Å; Y583-T586 VanDerWaalsContact C-OG1 3.27Å; Y583-T586 WeakPolarHBondContact CB-OG1 3.39Å; Y583-T586 PolarHBondContact O-OG1 3.26Å; K584-T586 PolarHBondContact O-N 2.88Å; T586-Y588 PolarHBondContact O-N 2.96Å; T586-K589 PolarHBondContact O-N 3.31Å; T586-K589 VanDerWaalsContact O-N 3.11Å; T586-A590 WeakPolarHBondContact O-CB 3.25Å; T586-A590 PolarHBondContact O-N 3.46Å; T586-V665 HydrophobicContact CG2-CB 4.29Å; T586-V665 HydrophobicContact CG2-CG1 3.95Å; T586-Y669 HydrophobicContact CG2-CD2 4.18Å
587N82.9Confident90.2Very high93 Ų9361.9 Ų61.950%0.49728%0.284SS..THydrogen-bonded Turntrans-46.9-57.3-169.3-60.747.2000114.1R581R581-N587 WeakPolarHBondContact O-CA 3.04Å
588Y85.3Confident90.5Very high195 Ų19562.8 Ų62.877%0.76529%0.288SS*.THydrogen-bonded Turntrans-88.1-28.8176.8-62.3-72.2000112.3T586 L591T586-Y588 PolarHBondContact O-N 2.96Å; Y588-L591 WeakPolarHBondContact O-CB 3.47Å; Y588-L591 PolarHBondContact O-N 3.31Å
589K87.1Confident90.8Very high9 Ų959.6 Ų59.64%0.03927%0.27CS..G310 helixtrans-63.1-44.2-176.1-160.6-169.1-169.31660112.2T586 L591 Q592 T595 H658 S659 I662 H664T586-K589 PolarHBondContact O-N 3.31Å; T586-K589 VanDerWaalsContact O-N 3.11Å; K589-L591 PolarHBondContact O-N 2.96Å; K589-Q592 WeakPolarHBondContact O-CB 3.09Å; K589-Q592 PolarHBondContact O-N 3.36Å; K589-T595 HydrophobicContact CD-CG2 4.27Å; K589-T595 HydrophobicContact CG-CG2 4.01Å; K589-T595 WeakPolarHBondContact CG-OG1 3.33Å; K589-T595 VanDerWaalsContact O-CB 3.28Å; K589-T595 WeakPolarHBondContact O-CB 3.49Å; K589-H658 PolarHBondContact NZ-O 3.12Å; K589-S659 VanDerWaalsContact CD-O 3.28Å; K589-S659 WeakPolarHBondContact CD-O 3.49Å; K589-I662 WeakPolarHBondContact CE-O 3.41Å; K589-I662 PolarHBondContact NZ-O 3.45Å; K589-H664 PolarHBondContact NZ-O 3.35Å
590A89.6Confident90.9Very high0 Ų058.4 Ų58.40%027%0.265CS..G310 helixtrans-64.2-9.6179.500000114S577 T586 R596S577-A590 VanDerWaalsContact CB-O 3.29Å; S577-A590 WeakPolarHBondContact CB-O 3.36Å; S577-A590 PolarHBondContact OG-O 2.6Å; T586-A590 WeakPolarHBondContact O-CB 3.25Å; T586-A590 PolarHBondContact O-N 3.46Å; A590-R596 VanDerWaalsContact O-CG 3.26Å; A590-R596 WeakPolarHBondContact O-CG 3.33Å
591L88Confident91Very high84 Ų8458.5 Ų58.544%0.4427%0.266SS..G310 helixtrans-91.9-17.5175-53.2179.3000112.7R581 Y588 K589R581-L591 VanDerWaalsContact NH2-CD2 3.28Å; Y588-L591 WeakPolarHBondContact O-CB 3.47Å; Y588-L591 PolarHBondContact O-N 3.31Å; K589-L591 PolarHBondContact O-N 2.96Å
592Q90.1Very high91.3Very high95 Ų9554.6 Ų54.644%0.44425%0.251SS..SBendtrans-75.9134.7-179.5-58.3-178.529.700110.3K589 D594 T595 R596K589-Q592 WeakPolarHBondContact O-CB 3.09Å; K589-Q592 PolarHBondContact O-N 3.36Å; Q592-D594 PolarHBondContact O-N 3.15Å; Q592-T595 PolarHBondContact O-N 2.77Å; Q592-R596 VanDerWaalsContact O-CG 3.29Å; Q592-R596 WeakPolarHBondContact O-CG 3.49Å; Q592-R596 PolarHBondContact O-N 2.82Å
593T90.2Very high91.6Very high51 Ų5147.3 Ų47.331%0.31322%0.22SC..Hα-helixtrans-55.1-39.6-177.9-57.70000112.4I545 K546 E570 R596 E597I545-T593 HydrophobicContact CG2-CG2 3.81Å; K546-T593 HydrophobicContact CG-CG2 4.43Å; E570-T593 PolarHBondContact OE1-OG1 3.3Å; T593-R596 PolarHBondContact O-N 2.95Å; T593-E597 WeakPolarHBondContact O-CB 3.13Å; T593-E597 PolarHBondContact O-N 2.77Å
594D92.3Very high91.8Very high79 Ų7947.5 Ų47.542%0.42222%0.224SC..Hα-helixtrans-61.3-49.1179.9-67.330.1000111.4K546 Q592 R596 E597 E598 P663K546-D594 WeakPolarHBondContact CE-OD1 3.39Å; K546-D594 IonicContact NZ-OD1 2.57Å; K546-D594 PolarHBondContact NZ-OD1 2.93Å; K546-D594 IonicContact NZ-OD2 3.02Å; K546-D594 PolarHBondContact NZ-OD2 2.72Å; Q592-D594 PolarHBondContact O-N 3.15Å; D594-R596 VanDerWaalsContact C-N 3.32Å; D594-R596 PolarHBondContact O-N 3.41Å; D594-E597 WeakPolarHBondContact O-CB 3.48Å; D594-E597 PolarHBondContact O-N 2.74Å; D594-E598 PolarHBondContact O-N 2.93Å; D594-E598 VanDerWaalsContact O-N 3.16Å; D594-P663 HydrophobicContact CB-CB 4.09Å
595T94Very high92.2Very high1 Ų140.6 Ų40.61%0.00619%0.194CC..Hα-helixtrans-66.6-34.5176.4-60.80000112.4K589 Q592 E597 E598 I599 P663 V665K589-T595 HydrophobicContact CD-CG2 4.27Å; K589-T595 HydrophobicContact CG-CG2 4.01Å; K589-T595 WeakPolarHBondContact CG-OG1 3.33Å; K589-T595 VanDerWaalsContact O-CB 3.28Å; K589-T595 WeakPolarHBondContact O-CB 3.49Å; Q592-T595 PolarHBondContact O-N 2.77Å; T595-E597 VanDerWaalsContact C-N 3.33Å; T595-E598 PolarHBondContact O-N 3.01Å; T595-I599 HydrophobicContact CG2-CD1 3.84Å; T595-I599 HydrophobicContact CG2-CG1 4.36Å; T595-I599 VanDerWaalsContact O-CG1 3.27Å; T595-I599 WeakPolarHBondContact O-CG1 3.31Å; T595-I599 PolarHBondContact O-N 3.19Å; T595-P663 WeakPolarHBondContact CA-O 3.47Å; T595-P663 VanDerWaalsContact CB-O 3.31Å; T595-P663 WeakPolarHBondContact CB-O 3.25Å; T595-P663 WeakPolarHBondContact CG2-O 3.26Å; T595-P663 PolarHBondContact OG1-O 3.39Å; T595-V665 HydrophobicContact CG2-CG1 3.76Å
596R93.8Very high92.7Very high34 Ų3436.2 Ų36.213%0.12818%0.175CC..Hα-helixtrans-66.2-38175.7-68.2175.965.4163.64.2111.9I545 E570 S577 A590 Q592 T593 D594 I599 L600I545-R596 HydrophobicContact CD1-CB 3.91Å; E570-R596 PolarHBondContact O-NH2 3.39Å; S577-R596 VanDerWaalsContact OG-CD 3.24Å; S577-R596 WeakPolarHBondContact OG-CD 3.45Å; S577-R596 WeakPolarHBondContact OG-CG 3.38Å; S577-R596 PolarHBondContact OG-NE 3.16Å; S577-R596 VanDerWaalsContact OG-NE 3.12Å; A590-R596 VanDerWaalsContact O-CG 3.26Å; A590-R596 WeakPolarHBondContact O-CG 3.33Å; Q592-R596 VanDerWaalsContact O-CG 3.29Å; Q592-R596 WeakPolarHBondContact O-CG 3.49Å; Q592-R596 PolarHBondContact O-N 2.82Å; T593-R596 PolarHBondContact O-N 2.95Å; D594-R596 VanDerWaalsContact C-N 3.32Å; D594-R596 PolarHBondContact O-N 3.41Å; R596-I599 PolarHBondContact O-N 3Å; R596-L600 WeakPolarHBondContact O-CB 3.3Å; R596-L600 VanDerWaalsContact O-CG 3.27Å; R596-L600 WeakPolarHBondContact O-CG 3.48Å; R596-L600 PolarHBondContact O-N 2.96Å
597E94.3Very high93.2Very high9 Ų939.8 Ų39.84%0.04219%0.19CC..Hα-helixtrans-61.4-44.9174.4-166.1177174.800110.6K501 H541 K546 T593 D594 T595 L600 A601K501-E597 IonicContact NZ-OE1 2.81Å; K501-E597 PolarHBondContact NZ-OE1 2.98Å; K501-E597 IonicContact NZ-OE2 2.76Å; H541-E597 IonicContact ND1-OE1 2.65Å; K546-E597 WeakPolarHBondContact CD-OE2 3.23Å; K546-E597 WeakPolarHBondContact CE-OE2 3.38Å; K546-E597 WeakPolarHBondContact CG-OE2 3.39Å; K546-E597 IonicContact NZ-OE2 3.55Å; K546-E597 PolarHBondContact NZ-OE2 3.3Å; T593-E597 WeakPolarHBondContact O-CB 3.13Å; T593-E597 PolarHBondContact O-N 2.77Å; D594-E597 WeakPolarHBondContact O-CB 3.48Å; D594-E597 PolarHBondContact O-N 2.74Å; T595-E597 VanDerWaalsContact C-N 3.33Å; E597-L600 PolarHBondContact O-N 3.12Å; E597-A601 WeakPolarHBondContact O-CB 3.17Å; E597-A601 PolarHBondContact O-N 3.39Å
598E96.8Very high94Very high23 Ų2335.4 Ų35.411%0.10717%0.167CC..Hα-helixtrans-65.6-43.5176-62.2-51147.500113.2H537 H541 D594 T595 L600 A601 D602 P663 H664H537-E598 IonicContact CE1-OE2 2.81Å; H537-E598 PolarHBondContact CE1-OE2 3.31Å; H537-E598 IonicContact NE2-OE2 3.35Å; H537-E598 PolarHBondContact NE2-OE2 3.36Å; H541-E598 IonicContact CE1-OE1 3.33Å; H541-E598 PolarHBondContact CE1-OE1 3.18Å; H541-E598 VanDerWaalsContact CE1-OE1 3.25Å; H541-E598 IonicContact CE1-OE2 3.35Å; H541-E598 PolarHBondContact CE1-OE2 3.42Å; H541-E598 IonicContact NE2-OE1 3.89Å; H541-E598 IonicContact NE2-OE2 3.66Å; H541-E598 PolarHBondContact NE2-OE2 2.89Å; D594-E598 PolarHBondContact O-N 2.93Å; D594-E598 VanDerWaalsContact O-N 3.16Å; T595-E598 PolarHBondContact O-N 3.01Å; E598-L600 VanDerWaalsContact C-N 3.28Å; E598-L600 PolarHBondContact O-N 3.22Å; E598-A601 PolarHBondContact O-N 2.84Å; E598-D602 PolarHBondContact O-N 2.84Å; E598-P663 HydrophobicContact CG-CB 4.07Å; E598-P663 HydrophobicContact CG-CG 4.44Å; E598-H664 IonicContact OE2-CD2 3.28Å; E598-H664 PolarHBondContact OE2-CD2 3.11Å; E598-H664 IonicContact OE2-CE1 3.52Å; E598-H664 IonicContact OE2-NE2 3.82Å; E598-H664 PolarHBondContact OE2-NE2 3.17Å; E598-H664 VanDerWaalsContact OE2-NE2 3.11Å
599I95.8Very high94.6Very high3 Ų326.1 Ų26.12%0.01513%0.131CC..Hα-helixtrans-59.5-42.2177.1-73165.7000110.7F576 Y580 T595 R596 D602 I603 V665F576-I599 HydrophobicContact CB-CG2 4.06Å; Y580-I599 HydrophobicContact CD1-CD1 3.68Å; Y580-I599 HydrophobicContact CD1-CG1 4.02Å; Y580-I599 HydrophobicContact CD2-CD1 4.2Å; Y580-I599 HydrophobicContact CD2-CG2 4Å; Y580-I599 HydrophobicContact CE1-CD1 4.06Å; Y580-I599 HydrophobicContact CE1-CG1 3.86Å; Y580-I599 HydrophobicContact CE1-CG2 4.23Å; Y580-I599 HydrophobicContact CE2-CG2 3.47Å; Y580-I599 VanDerWaalsContact CE2-CG2 3.47Å; Y580-I599 HydrophobicContact CG-CD1 3.72Å; Y580-I599 HydrophobicContact CG-CG1 4.39Å; T595-I599 HydrophobicContact CG2-CD1 3.84Å; T595-I599 HydrophobicContact CG2-CG1 4.36Å; T595-I599 VanDerWaalsContact O-CG1 3.27Å; T595-I599 WeakPolarHBondContact O-CG1 3.31Å; T595-I599 PolarHBondContact O-N 3.19Å; R596-I599 PolarHBondContact O-N 3Å; I599-D602 PolarHBondContact O-N 3.42Å; I599-I603 HydrophobicContact CG2-CD1 3.68Å; I599-I603 WeakPolarHBondContact O-CD1 3.4Å; I599-I603 WeakPolarHBondContact O-CG1 3.27Å; I599-I603 PolarHBondContact O-N 3.2Å; I599-I603 VanDerWaalsContact O-N 3.13Å; I599-V665 HydrophobicContact CD1-CG1 4.08Å; I599-V665 HydrophobicContact CG1-CG1 4.21Å
600L95.7Very high95.2Very high10 Ų1026.5 Ų26.55%0.05213%0.132CC..Hα-helixtrans-66.9-42.6177.5-73.2171.8000112I545 I569 T573 F576 R596 E597 E598 D602 I603 D604I545-L600 HydrophobicContact CD1-CD1 3.76Å; I545-L600 HydrophobicContact CG1-CD1 3.95Å; I569-L600 HydrophobicContact CG2-CD1 4.29Å; T573-L600 HydrophobicContact CG2-CD1 3.73Å; T573-L600 HydrophobicContact CG2-CD2 3.35Å; T573-L600 HydrophobicContact CG2-CG 4.16Å; F576-L600 HydrophobicContact CD2-CD2 3.67Å; F576-L600 HydrophobicContact CE2-CD2 3.81Å; R596-L600 WeakPolarHBondContact O-CB 3.3Å; R596-L600 VanDerWaalsContact O-CG 3.27Å; R596-L600 WeakPolarHBondContact O-CG 3.48Å; R596-L600 PolarHBondContact O-N 2.96Å; E597-L600 PolarHBondContact O-N 3.12Å; E598-L600 VanDerWaalsContact C-N 3.28Å; E598-L600 PolarHBondContact O-N 3.22Å; L600-D602 VanDerWaalsContact C-N 3.33Å; L600-D602 PolarHBondContact O-N 3.38Å; L600-I603 PolarHBondContact O-N 3.33Å; L600-D604 WeakPolarHBondContact O-CB 3.09Å; L600-D604 PolarHBondContact O-N 3.46Å
601A97.3Very high95.6Very high1 Ų130.8 Ų30.81%0.00815%0.148CC..Hα-helixtrans-62.1-40.3176.500000112.1H537 M540 E597 E598 G605H537-A601 WeakPolarHBondContact CE1-CB 3.45Å; M540-A601 HydrophobicContact CB-CB 4.09Å; E597-A601 WeakPolarHBondContact O-CB 3.17Å; E597-A601 PolarHBondContact O-N 3.39Å; E598-A601 PolarHBondContact O-N 2.84Å; A601-G605 WeakPolarHBondContact O-CA 3.37Å; A601-G605 PolarHBondContact O-N 3.24Å
602D97.8Very high96.1Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-60.2-49.3174.9-76.3-13.7000111.1W533 H537 E598 I599 L600 L606 R670W533-D602 WeakPolarHBondContact CZ2-OD1 3.37Å; W533-D602 PolarHBondContact NE1-O 3Å; H537-D602 IonicContact CE1-OD1 3.4Å; H537-D602 PolarHBondContact CE1-OD1 3.3Å; H537-D602 PolarHBondContact ND1-N 3.06Å; H537-D602 IonicContact ND1-OD1 3.57Å; H537-D602 PolarHBondContact ND1-OD1 3.16Å; E598-D602 PolarHBondContact O-N 2.84Å; I599-D602 PolarHBondContact O-N 3.42Å; L600-D602 VanDerWaalsContact C-N 3.33Å; L600-D602 PolarHBondContact O-N 3.38Å; D602-L606 VanDerWaalsContact O-CB 3.29Å; D602-L606 WeakPolarHBondContact O-CB 3.11Å; D602-L606 PolarHBondContact O-N 2.78Å; D602-R670 IonicContact OD1-CZ 3.9Å; D602-R670 IonicContact OD1-NE 3.26Å; D602-R670 PolarHBondContact OD1-NE 3.38Å; D602-R670 IonicContact OD1-NH2 2.95Å; D602-R670 PolarHBondContact OD1-NH2 3.36Å; D602-R670 WeakPolarHBondContact OD2-CB 3.39Å; D602-R670 VanDerWaalsContact OD2-CG 3.29Å; D602-R670 WeakPolarHBondContact OD2-CG 3.31Å; D602-R670 IonicContact OD2-CZ 2.7Å; D602-R670 IonicContact OD2-NE 2.87Å; D602-R670 PolarHBondContact OD2-NE 2.9Å; D602-R670 IonicContact OD2-NH2 3.76Å
603I96.6Very high96.5Very high16 Ų1622.2 Ų22.28%0.08211%0.106CC..Hα-helixtrans-71.8-55.9-174.1-66.3168.4000111.8F576 Y580 I599 L600 G605 L606 K607 A674F576-I603 HydrophobicContact CD1-CD1 3.47Å; F576-I603 VanDerWaalsContact CD1-CD1 3.47Å; F576-I603 HydrophobicContact CD2-CD1 4.29Å; F576-I603 HydrophobicContact CE1-CD1 3.51Å; F576-I603 HydrophobicContact CE1-CG2 4.38Å; F576-I603 HydrophobicContact CE2-CD1 4.31Å; F576-I603 HydrophobicContact CG-CD1 3.88Å; F576-I603 HydrophobicContact CZ-CD1 3.94Å; F576-I603 HydrophobicContact CZ-CG2 4.1Å; Y580-I603 HydrophobicContact CE2-CD1 4.18Å; I599-I603 HydrophobicContact CG2-CD1 3.68Å; I599-I603 WeakPolarHBondContact O-CD1 3.4Å; I599-I603 WeakPolarHBondContact O-CG1 3.27Å; I599-I603 PolarHBondContact O-N 3.2Å; I599-I603 VanDerWaalsContact O-N 3.13Å; L600-I603 PolarHBondContact O-N 3.33Å; I603-G605 VanDerWaalsContact C-N 3.29Å; I603-G605 PolarHBondContact O-N 2.91Å; I603-L606 PolarHBondContact O-N 3.22Å; I603-K607 PolarHBondContact O-N 3.47Å; I603-A674 HydrophobicContact CG1-CB 4.34Å
604D96.3Very high96.8Very high50 Ų5021.9 Ų21.927%0.26710%0.099SC..Hα-helixtrans-72.4-29.7-176.5-68.1-32.7000110.6M540 L600 K607 A608M540-D604 HydrophobicContact CG-CB 3.79Å; M540-D604 HydrophobicContact SD-CB 3.66Å; L600-D604 WeakPolarHBondContact O-CB 3.09Å; L600-D604 PolarHBondContact O-N 3.46Å; D604-K607 PolarHBondContact O-N 3.3Å; D604-A608 WeakPolarHBondContact O-CB 3.5Å; D604-A608 PolarHBondContact O-N 3.09Å
605G98.1Very high96.9Very high0 Ų021.7 Ų21.70%09%0.093CC..Hα-helixtrans-64.3-43.1171.100000112.3S536 A601 I603 S609S536-G605 VanDerWaalsContact CB-O 3.28Å; S536-G605 WeakPolarHBondContact CB-O 3.39Å; S536-G605 WeakPolarHBondContact OG-CA 3.18Å; S536-G605 PolarHBondContact OG-O 3.31Å; A601-G605 WeakPolarHBondContact O-CA 3.37Å; A601-G605 PolarHBondContact O-N 3.24Å; I603-G605 VanDerWaalsContact C-N 3.29Å; I603-G605 PolarHBondContact O-N 2.91Å; G605-S609 WeakPolarHBondContact O-CB 3.33Å; G605-S609 PolarHBondContact O-N 3.32Å
606L98.4Very high97Very high5 Ų521.7 Ų21.73%0.0269%0.093CC..Hα-helixtrans-62.4-45.9174.9-178.768000111.1D602 I603 S609 Y610 F638 F639 F642 A674 L675D602-L606 VanDerWaalsContact O-CB 3.29Å; D602-L606 WeakPolarHBondContact O-CB 3.11Å; D602-L606 PolarHBondContact O-N 2.78Å; I603-L606 PolarHBondContact O-N 3.22Å; L606-S609 PolarHBondContact O-N 3.2Å; L606-Y610 WeakPolarHBondContact O-CB 3.36Å; L606-Y610 PolarHBondContact O-N 3.03Å; L606-F638 HydrophobicContact CD1-CE1 3.65Å; L606-F638 HydrophobicContact CD1-CZ 4.02Å; L606-F639 HydrophobicContact CD2-CE1 4.49Å; L606-F642 HydrophobicContact CD1-CB 4.1Å; L606-F642 HydrophobicContact CD1-CD1 3.83Å; L606-F642 HydrophobicContact CD1-CD2 3.79Å; L606-F642 HydrophobicContact CD1-CE1 4.19Å; L606-F642 HydrophobicContact CD1-CE2 4.16Å; L606-F642 HydrophobicContact CD1-CG 3.6Å; L606-F642 HydrophobicContact CD1-CZ 4.35Å; L606-F642 HydrophobicContact CD2-CD1 4.23Å; L606-F642 HydrophobicContact CD2-CE1 3.95Å; L606-F642 HydrophobicContact CD2-CZ 4.28Å; L606-A674 HydrophobicContact CD2-CB 3.83Å; L606-L675 HydrophobicContact CD2-CD2 3.73Å
607K97.6Very high97Very high78 Ų7821.8 Ų21.834%0.3399%0.093SC..Hα-helixtrans-58.9-52.9177.7-173.7-179.6177.9-173.10111.2I603 D604 S609 Y610 Y611I603-K607 PolarHBondContact O-N 3.47Å; D604-K607 PolarHBondContact O-N 3.3Å; K607-S609 PolarHBondContact O-N 3.05Å; K607-Y610 PolarHBondContact O-N 2.99Å; K607-Y611 HydrophobicContact CG-CD2 3.8Å; K607-Y611 HydrophobicContact CG-CE2 3.7Å; K607-Y611 WeakPolarHBondContact O-CD2 3.35Å; K607-Y611 PolarHBondContact O-N 3.33Å
608A98.3Very high96.8Very high1 Ų125.1 Ų25.11%0.00811%0.111CC..Hα-helixtrans-64.3-39.5-178.900000112.5V404 L407 S536 M540 D604 T612V404-A608 HydrophobicContact CG2-CB 3.78Å; L407-A608 HydrophobicContact CD1-CB 4.02Å; S536-A608 VanDerWaalsContact OG-CB 3.28Å; S536-A608 WeakPolarHBondContact OG-CB 3.47Å; M540-A608 HydrophobicContact CE-CB 4.11Å; D604-A608 WeakPolarHBondContact O-CB 3.5Å; D604-A608 PolarHBondContact O-N 3.09Å; A608-T612 WeakPolarHBondContact O-CB 3.37Å; A608-T612 PolarHBondContact O-N 3.46Å; A608-T612 PolarHBondContact O-OG1 2.58Å
609S98.7Very high96.5Very high0 Ų029.7 Ų29.70%013%0.131CC..Hα-helixtrans-64.9-43.5175.1-168.50000112.2Y528 W533 G605 L606 K607 T612 Y613Y528-S609 PolarHBondContact O-OG 3.14Å; W533-S609 PolarHBondContact N-OG 3.08Å; G605-S609 WeakPolarHBondContact O-CB 3.33Å; G605-S609 PolarHBondContact O-N 3.32Å; L606-S609 PolarHBondContact O-N 3.2Å; K607-S609 PolarHBondContact O-N 3.05Å; S609-T612 WeakPolarHBondContact O-CB 3.12Å; S609-T612 PolarHBondContact O-N 2.87Å; S609-Y613 PolarHBondContact O-N 2.78Å
610Y98.7Very high96.2Very high17 Ų1736.3 Ų36.37%0.06716%0.157CC..Hα-helixtrans-60.1-49.8178178.4-96000112.1L606 K607 T612 Y613 R614 D635 F638 F639 E680L606-Y610 WeakPolarHBondContact O-CB 3.36Å; L606-Y610 PolarHBondContact O-N 3.03Å; K607-Y610 PolarHBondContact O-N 2.99Å; Y610-T612 VanDerWaalsContact C-N 3.25Å; Y610-T612 PolarHBondContact O-N 2.97Å; Y610-Y613 HydrophobicContact CD2-CD1 4.11Å; Y610-Y613 HydrophobicContact CD2-CE1 4.44Å; Y610-Y613 HydrophobicContact CE2-CD1 4.25Å; Y610-Y613 HydrophobicContact CE2-CE1 4.15Å; Y610-Y613 WeakPolarHBondContact O-CB 3.3Å; Y610-Y613 PolarHBondContact O-N 3.42Å; Y610-R614 HydrophobicContact CD1-CG 4.09Å; Y610-R614 HydrophobicContact CE1-CG 3.53Å; Y610-R614 HydrophobicContact CE2-CG 4.15Å; Y610-R614 PolarHBondContact O-N 3.39Å; Y610-D635 HydrophobicContact CE2-CB 4.41Å; Y610-D635 PolarHBondContact OH-OD2 3.5Å; Y610-F638 AromaticContact CD2-CD1 3.62Å; Y610-F638 HydrophobicContact CD2-CD1 3.62Å; Y610-F638 HydrophobicContact CD2-CD2 4.5Å; Y610-F638 AromaticContact CD2-CE1 3.69Å; Y610-F638 HydrophobicContact CD2-CE1 3.69Å; Y610-F638 HydrophobicContact CD2-CG 4.08Å; Y610-F638 HydrophobicContact CD2-CZ 4.17Å; Y610-F638 HydrophobicContact CE2-CD1 4.42Å; Y610-F638 HydrophobicContact CG-CE1 4.19Å; Y610-F638 HydrophobicContact CG-CZ 4.41Å; Y610-F639 HydrophobicContact CD2-CE1 4.26Å; Y610-F639 HydrophobicContact CD2-CE2 4.1Å; Y610-F639 AromaticContact CD2-CZ 3.61Å; Y610-F639 HydrophobicContact CD2-CZ 3.61Å; Y610-F639 AromaticContact CE2-CE2 3.76Å; Y610-F639 HydrophobicContact CE2-CE2 3.76Å; Y610-F639 AromaticContact CE2-CZ 3.66Å; Y610-F639 HydrophobicContact CE2-CZ 3.66Å; Y610-F639 HydrophobicContact CG-CZ 4.31Å; Y610-E680 HydrophobicContact CD1-CB 4.03Å; Y610-E680 HydrophobicContact CD1-CG 3.85Å; Y610-E680 HydrophobicContact CE1-CB 3.55Å; Y610-E680 HydrophobicContact CE1-CG 3.44Å; Y610-E680 VanDerWaalsContact CE1-CG 3.44Å; Y610-E680 HydrophobicContact CE2-CB 4.29Å
611Y98.4Very high95.6Very high89 Ų8936.9 Ų36.935%0.34916%0.162SC..Hα-helixtrans-65.4-30.6179-79.2-67.7000112.4L407 K607 R615 E680L407-Y611 HydrophobicContact CD2-CD2 4.26Å; K607-Y611 HydrophobicContact CG-CD2 3.8Å; K607-Y611 HydrophobicContact CG-CE2 3.7Å; K607-Y611 WeakPolarHBondContact O-CD2 3.35Å; K607-Y611 PolarHBondContact O-N 3.33Å; Y611-R615 WeakPolarHBondContact O-CB 3.38Å; Y611-R615 PolarHBondContact O-N 3.01Å; Y611-E680 PolarHBondContact OH-OE1 3.27Å
612T98.7Very high94.4Very high0 Ų043.3 Ų43.30%020%0.196CC..Hα-helixtrans-65.9-49.1172.4-54.20000111E399 I400 T403 Y528 A608 S609 Y610 R614 R615 L616E399-T612 HydrophobicContact CB-CG2 3.75Å; I400-T612 HydrophobicContact CG1-CG2 4.04Å; T403-T612 WeakPolarHBondContact CB-OG1 3.09Å; T403-T612 WeakPolarHBondContact OG1-CA 3.16Å; T403-T612 WeakPolarHBondContact OG1-CB 3.46Å; T403-T612 PolarHBondContact OG1-OG1 3.26Å; Y528-T612 HydrophobicContact CD1-CG2 4.09Å; Y528-T612 HydrophobicContact CE1-CG2 3.45Å; Y528-T612 VanDerWaalsContact CE1-CG2 3.45Å; A608-T612 WeakPolarHBondContact O-CB 3.37Å; A608-T612 PolarHBondContact O-N 3.46Å; A608-T612 PolarHBondContact O-OG1 2.58Å; S609-T612 WeakPolarHBondContact O-CB 3.12Å; S609-T612 PolarHBondContact O-N 2.87Å; Y610-T612 VanDerWaalsContact C-N 3.25Å; Y610-T612 PolarHBondContact O-N 2.97Å; T612-R614 PolarHBondContact O-N 3.19Å; T612-R615 PolarHBondContact O-N 3.41Å; T612-L616 HydrophobicContact CG2-CD1 4.08Å; T612-L616 WeakPolarHBondContact O-CB 3.38Å; T612-L616 WeakPolarHBondContact O-CG 3.04Å; T612-L616 PolarHBondContact O-N 3.16Å
613Y98Very high92.7Very high0 Ų048.7 Ų48.70%023%0.233CC..Hα-helixtrans-55.1-50.2175147.5-109.8000111.5L524 A525 S609 Y610 R615 L616 Y617 S634 D635 F638L524-Y613 HydrophobicContact CB-CD2 3.98Å; L524-Y613 HydrophobicContact CB-CE2 4.36Å; A525-Y613 HydrophobicContact CB-CD2 4.3Å; A525-Y613 HydrophobicContact CB-CE2 3.74Å; S609-Y613 PolarHBondContact O-N 2.78Å; Y610-Y613 HydrophobicContact CD2-CD1 4.11Å; Y610-Y613 HydrophobicContact CD2-CE1 4.44Å; Y610-Y613 HydrophobicContact CE2-CD1 4.25Å; Y610-Y613 HydrophobicContact CE2-CE1 4.15Å; Y610-Y613 WeakPolarHBondContact O-CB 3.3Å; Y610-Y613 PolarHBondContact O-N 3.42Å; Y613-R615 PolarHBondContact O-N 2.65Å; Y613-L616 PolarHBondContact O-N 3.17Å; Y613-Y617 AromaticContact CE2-CD2 3.97Å; Y613-Y617 HydrophobicContact CE2-CD2 3.97Å; Y613-Y617 HydrophobicContact CE2-CG 4.3Å; Y613-Y617 WeakPolarHBondContact O-CB 3.23Å; Y613-Y617 PolarHBondContact O-N 2.8Å; Y613-S634 WeakPolarHBondContact OH-CB 3.04Å; Y613-S634 PolarHBondContact OH-OG 2.89Å; Y613-D635 WeakPolarHBondContact CE1-OD1 3.42Å; Y613-D635 PolarHBondContact OH-N 3.09Å; Y613-D635 PolarHBondContact OH-OD1 2.72Å; Y613-F638 HydrophobicContact CD1-CB 4.37Å; Y613-F638 AromaticContact CD1-CD2 3.8Å; Y613-F638 HydrophobicContact CD1-CD2 3.8Å; Y613-F638 HydrophobicContact CD1-CE2 4.41Å; Y613-F638 HydrophobicContact CD1-CG 4.19Å; Y613-F638 HydrophobicContact CE1-CB 4.25Å; Y613-F638 HydrophobicContact CE1-CD2 4.5Å; Y613-F638 HydrophobicContact CG-CD2 4.01Å
614R96.4Very high91.1Very high43 Ų4352.5 Ų52.516%0.16226%0.257CS..Hα-helixtrans-59.4-47.7179.3-76.3-55.8-46.5-176.87112.2Y610 T612 L616 Y617 D618 S631 D635Y610-R614 HydrophobicContact CD1-CG 4.09Å; Y610-R614 HydrophobicContact CE1-CG 3.53Å; Y610-R614 HydrophobicContact CE2-CG 4.15Å; Y610-R614 PolarHBondContact O-N 3.39Å; T612-R614 PolarHBondContact O-N 3.19Å; R614-L616 VanDerWaalsContact C-N 3.28Å; R614-L616 PolarHBondContact O-N 2.91Å; R614-Y617 PolarHBondContact O-N 3.4Å; R614-D618 IonicContact CZ-OD1 3.89Å; R614-D618 IonicContact NH2-OD1 3.45Å; R614-D618 PolarHBondContact NH2-OD1 3.04Å; R614-D618 IonicContact NH2-OD2 3.51Å; R614-D618 PolarHBondContact O-N 3.24Å; R614-S631 PolarHBondContact NH1-OG 3.38Å; R614-D635 WeakPolarHBondContact CD-OD1 3.32Å; R614-D635 IonicContact CZ-OD1 3.94Å; R614-D635 IonicContact NH1-OD1 2.97Å; R614-D635 PolarHBondContact NH1-OD1 3.25Å; R614-D635 IonicContact NH1-OD2 3.24Å; R614-D635 PolarHBondContact NH1-OD2 3.02Å
615R95.8Very high89.6Confident75 Ų7560 Ų6028%0.28329%0.287SS..Hα-helixtrans-57.3-43.2177.1-175.2-178.372.9-144.4-4.1111.7E399 V402 T403 Y611 T612 Y613 K619E399-R615 PolarHBondContact O-NH2 3.29Å; E399-R615 IonicContact OE2-CZ 3.94Å; E399-R615 IonicContact OE2-NE 3.93Å; E399-R615 IonicContact OE2-NH2 3.76Å; E399-R615 PolarHBondContact OE2-NH2 3.22Å; V402-R615 VanDerWaalsContact CG1-NH1 3.31Å; T403-R615 PolarHBondContact OG1-NH1 2.77Å; T403-R615 PolarHBondContact OG1-NH2 3.44Å; Y611-R615 WeakPolarHBondContact O-CB 3.38Å; Y611-R615 PolarHBondContact O-N 3.01Å; T612-R615 PolarHBondContact O-N 3.41Å; Y613-R615 PolarHBondContact O-N 2.65Å; R615-K619 VanDerWaalsContact O-CB 3.32Å; R615-K619 WeakPolarHBondContact O-CB 3.46Å; R615-K619 PolarHBondContact O-N 3.38Å
616L95.9Very high88.1Confident2 Ų263.6 Ų63.61%0.0130%0.304CS..Hα-helixtrans-71.8-40179.9-71.8176.2000112.6E399 L524 Y528 T612 Y613 R614 D618 K619 Y620E399-L616 HydrophobicContact CB-CD1 4.14Å; E399-L616 HydrophobicContact CG-CD1 4.11Å; E399-L616 HydrophobicContact CG-CD2 4.16Å; L524-L616 HydrophobicContact CD1-CB 4.49Å; Y528-L616 HydrophobicContact CE1-CD1 4.26Å; Y528-L616 HydrophobicContact CE2-CD1 3.71Å; Y528-L616 VanDerWaalsContact CZ-CD1 3.43Å; Y528-L616 WeakPolarHBondContact OH-CD1 2.92Å; T612-L616 HydrophobicContact CG2-CD1 4.08Å; T612-L616 WeakPolarHBondContact O-CB 3.38Å; T612-L616 WeakPolarHBondContact O-CG 3.04Å; T612-L616 PolarHBondContact O-N 3.16Å; Y613-L616 PolarHBondContact O-N 3.17Å; R614-L616 VanDerWaalsContact C-N 3.28Å; R614-L616 PolarHBondContact O-N 2.91Å; L616-D618 VanDerWaalsContact C-N 3.31Å; L616-D618 PolarHBondContact O-N 2.03Å; L616-K619 HydrophobicContact CD2-CD 4.26Å; L616-K619 PolarHBondContact O-N 3.45Å; L616-Y620 HydrophobicContact CB-CD2 4.25Å; L616-Y620 HydrophobicContact CB-CE2 4.04Å; L616-Y620 HydrophobicContact CD2-CE2 4.04Å; L616-Y620 WeakPolarHBondContact O-CD2 3.45Å; L616-Y620 PolarHBondContact O-N 2.87Å
617Y93Very high87Confident36 Ų3667.3 Ų67.314%0.14132%0.324CS..Hα-helixtrans-57.8-46.2174.5-173.4-88.1000111Y613 R614 S621 Q626Y613-Y617 AromaticContact CE2-CD2 3.97Å; Y613-Y617 HydrophobicContact CE2-CD2 3.97Å; Y613-Y617 HydrophobicContact CE2-CG 4.3Å; Y613-Y617 WeakPolarHBondContact O-CB 3.23Å; Y613-Y617 PolarHBondContact O-N 2.8Å; R614-Y617 PolarHBondContact O-N 3.4Å; Y617-S621 WeakPolarHBondContact O-CB 3.48Å; Y617-S621 PolarHBondContact O-N 2.95Å; Y617-S621 VanDerWaalsContact O-N 3.1Å; Y617-S621 PolarHBondContact O-OG 3.29Å; Y617-Q626 HydrophobicContact CE1-CG 4.19Å
618D90.6Very high86.1Confident78 Ų7867.9 Ų67.942%0.41734%0.338SS..Hα-helixtrans-67.7-38.1177.6-61.8-20.3000111.5R614 L616 S621R614-D618 IonicContact CZ-OD1 3.89Å; R614-D618 IonicContact NH2-OD1 3.45Å; R614-D618 PolarHBondContact NH2-OD1 3.04Å; R614-D618 IonicContact NH2-OD2 3.51Å; R614-D618 PolarHBondContact O-N 3.24Å; L616-D618 VanDerWaalsContact C-N 3.31Å; L616-D618 PolarHBondContact O-N 2.03Å; D618-S621 WeakPolarHBondContact CA-OG 3.48Å; D618-S621 PolarHBondContact O-OG 3.05Å
619K90.9Very high85.3Confident119 Ų11972.5 Ų72.552%0.51736%0.362SS..Hα-helixtrans-62.7-49.4175.7-179.8-177.5177.1-175.50112.3E399 R615 L616 S621 N622E399-K619 IonicContact OE1-NZ 3.9Å; R615-K619 VanDerWaalsContact O-CB 3.32Å; R615-K619 WeakPolarHBondContact O-CB 3.46Å; R615-K619 PolarHBondContact O-N 3.38Å; L616-K619 HydrophobicContact CD2-CD 4.26Å; L616-K619 PolarHBondContact O-N 3.45Å; K619-S621 VanDerWaalsContact C-N 3.34Å; K619-N622 PolarHBondContact O-N 3.06Å
620Y88.1Confident84.6Confident143 Ų14376.8 Ų76.856%0.56138%0.384SS*.Hα-helixtrans-77.1-20-176-65.5-53.3000113.7L524 L616 N622L524-Y620 HydrophobicContact CD1-CD2 3.61Å; L524-Y620 HydrophobicContact CD1-CE2 4.12Å; L524-Y620 HydrophobicContact CD2-CE2 4.35Å; L616-Y620 HydrophobicContact CB-CD2 4.25Å; L616-Y620 HydrophobicContact CB-CE2 4.04Å; L616-Y620 HydrophobicContact CD2-CE2 4.04Å; L616-Y620 WeakPolarHBondContact O-CD2 3.45Å; L616-Y620 PolarHBondContact O-N 2.87Å; Y620-N622 PolarHBondContact O-N 3.3Å
621S83.1Confident84Confident22 Ų2277 Ų7715%0.15439%0.388CS..THydrogen-bonded Turntrans-77.71171.955.40000113.8Y617 D618 K619 S623 V624Y617-S621 WeakPolarHBondContact O-CB 3.48Å; Y617-S621 PolarHBondContact O-N 2.95Å; Y617-S621 VanDerWaalsContact O-N 3.1Å; Y617-S621 PolarHBondContact O-OG 3.29Å; D618-S621 WeakPolarHBondContact CA-OG 3.48Å; D618-S621 PolarHBondContact O-OG 3.05Å; K619-S621 VanDerWaalsContact C-N 3.34Å; S621-S623 PolarHBondContact O-N 3.41Å; S621-S623 VanDerWaalsContact O-N 3.09Å; S621-V624 WeakPolarHBondContact O-CB 3.36Å; S621-V624 WeakPolarHBondContact O-CG2 3.39Å; S621-V624 PolarHBondContact O-N 2.85Å
622N73.9Confident83.7Confident135 Ų13575.3 Ų75.372%0.72239%0.385SS*.THydrogen-bonded Turntrans49.633.9-179.8-71.3-29.8000113.3K619 Y620 V624K619-N622 PolarHBondContact O-N 3.06Å; Y620-N622 PolarHBondContact O-N 3.3Å; N622-V624 PolarHBondContact O-N 3Å
623S62Low83.4Confident113 Ų11380.3 Ų80.379%0.7941%0.411SS*.THydrogen-bonded Turntrans58.115.4-177.3-49.30000115S621 K625S621-S623 PolarHBondContact O-N 3.41Å; S621-S623 VanDerWaalsContact O-N 3.09Å; S623-K625 PolarHBondContact O-N 3.25Å
624V62.7Low83.2Confident96 Ų9681 Ų8158%0.58242%0.416SS*.  trans-63.2124.4170.1177.80000106.9S621 N622 Q626S621-V624 WeakPolarHBondContact O-CB 3.36Å; S621-V624 WeakPolarHBondContact O-CG2 3.39Å; S621-V624 PolarHBondContact O-N 2.85Å; N622-V624 PolarHBondContact O-N 3Å; V624-Q626 WeakPolarHBondContact O-CG 3.46Å; V624-Q626 PolarHBondContact O-N 2.91Å; V624-Q626 PolarHBondContact O-NE2 3.23Å
625K64Low83.3Confident207 Ų20779.4 Ų79.490%0.941%0.41SS*.  trans-50.4108.2176.9-85.3-173.2177.5-178.40109S623S623-K625 PolarHBondContact O-N 3.25Å
626Q66.2Low83.3Confident77 Ų7778.6 Ų78.636%0.3641%0.41SS..  trans-76.8145.7178.3-62.9-59.2-55.400109.2Y617 V624 S628Y617-Q626 HydrophobicContact CE1-CG 4.19Å; V624-Q626 WeakPolarHBondContact O-CG 3.46Å; V624-Q626 PolarHBondContact O-N 2.91Å; V624-Q626 PolarHBondContact O-NE2 3.23Å; Q626-S628 PolarHBondContact O-N 3.39Å
627D75.3Confident83.4Confident82 Ų8281.7 Ų81.744%0.43943%0.426SS..  trans-58.1123.1164.7-178.1-12.8000108.1N629 I630 S631D627-N629 PolarHBondContact O-N 2.93Å; D627-N629 VanDerWaalsContact O-N 3.15Å; D627-N629 WeakPolarHBondContact OD1-CB 3.37Å; D627-N629 PolarHBondContact OD1-N 3.08Å; D627-I630 HydrophobicContact CB-CB 4.34Å; D627-I630 HydrophobicContact CB-CD1 3.87Å; D627-I630 HydrophobicContact CB-CG1 3.93Å; D627-I630 PolarHBondContact O-N 3.34Å; D627-S631 PolarHBondContact O-N 2.95Å
628S79Confident83.6Confident90 Ų9080 Ų8063%0.62942%0.419SS*.Hα-helixtrans-55.5-31.9-179.750.50000112.1Q626 L632Q626-S628 PolarHBondContact O-N 3.39Å; S628-L632 WeakPolarHBondContact O-CB 3.3Å; S628-L632 PolarHBondContact O-N 3.07Å
629N81.9Confident84Confident98 Ų9876.3 Ų76.352%0.52440%0.4SS..Hα-helixtrans-68-40.8177.7-71.6-24000112D627 L632 I633D627-N629 PolarHBondContact O-N 2.93Å; D627-N629 VanDerWaalsContact O-N 3.15Å; D627-N629 WeakPolarHBondContact OD1-CB 3.37Å; D627-N629 PolarHBondContact OD1-N 3.08Å; N629-L632 PolarHBondContact O-N 3.29Å; N629-I633 WeakPolarHBondContact O-CD1 3.29Å; N629-I633 VanDerWaalsContact O-CG1 3.25Å; N629-I633 WeakPolarHBondContact O-CG1 3.43Å; N629-I633 PolarHBondContact O-N 2.81Å
630I84.2Confident84.3Confident90 Ų9072.6 Ų72.646%0.46239%0.385SS..Hα-helixtrans-65.5-44.1178.7-62.7177.3000110.2D627 L632 I633 S634D627-I630 HydrophobicContact CB-CB 4.34Å; D627-I630 HydrophobicContact CB-CD1 3.87Å; D627-I630 HydrophobicContact CB-CG1 3.93Å; D627-I630 PolarHBondContact O-N 3.34Å; I630-L632 VanDerWaalsContact C-N 3.33Å; I630-L632 PolarHBondContact O-N 3.12Å; I630-I633 PolarHBondContact O-N 2.8Å; I630-S634 WeakPolarHBondContact O-CB 3.28Å; I630-S634 PolarHBondContact O-N 2.76Å
631S86.8Confident84.8Confident21 Ų2165.9 Ų65.915%0.14736%0.359CS..Hα-helixtrans-59.4-44.7175.3-178.80000111.6R614 D627 S634 D635R614-S631 PolarHBondContact NH1-OG 3.38Å; D627-S631 PolarHBondContact O-N 2.95Å; S631-S634 WeakPolarHBondContact O-CB 3.21Å; S631-S634 PolarHBondContact O-N 3.47Å; S631-D635 VanDerWaalsContact O-CG 3.32Å; S631-D635 PolarHBondContact O-N 3.22Å
632L90.8Very high85.5Confident55 Ų5564.8 Ų64.829%0.28835%0.351SS..Hα-helixtrans-63.2-44179.4-171.270.4000112S628 N629 I630 S634 D635 Q636 A684S628-L632 WeakPolarHBondContact O-CB 3.3Å; S628-L632 PolarHBondContact O-N 3.07Å; N629-L632 PolarHBondContact O-N 3.29Å; I630-L632 VanDerWaalsContact C-N 3.33Å; I630-L632 PolarHBondContact O-N 3.12Å; L632-S634 VanDerWaalsContact C-N 3.28Å; L632-S634 PolarHBondContact O-N 3.43Å; L632-D635 PolarHBondContact O-N 3.01Å; L632-Q636 VanDerWaalsContact O-CG 3.32Å; L632-Q636 WeakPolarHBondContact O-CG 3.47Å; L632-Q636 PolarHBondContact O-N 2.94Å; L632-A684 WeakPolarHBondContact CD1-O 3.31Å
633I92.9Very high86.7Confident104 Ų10458.4 Ų58.453%0.53332%0.317SS..Hα-helixtrans-61.2-39.6176.2-69.2164.2000110.8N629 I630 Q636 L637N629-I633 WeakPolarHBondContact O-CD1 3.29Å; N629-I633 VanDerWaalsContact O-CG1 3.25Å; N629-I633 WeakPolarHBondContact O-CG1 3.43Å; N629-I633 PolarHBondContact O-N 2.81Å; I630-I633 PolarHBondContact O-N 2.8Å; I633-Q636 PolarHBondContact O-N 3.29Å; I633-L637 PolarHBondContact O-N 3.41Å
634S94.6Very high88.3Confident15 Ų1555.9 Ų55.911%0.10529%0.293CS..Hα-helixtrans-65.2-42.7176.9-171.40000111.6A525 Y613 I630 S631 L632 Q636 L637 F638A525-S634 WeakPolarHBondContact CB-O 3.37Å; Y613-S634 WeakPolarHBondContact OH-CB 3.04Å; Y613-S634 PolarHBondContact OH-OG 2.89Å; I630-S634 WeakPolarHBondContact O-CB 3.28Å; I630-S634 PolarHBondContact O-N 2.76Å; S631-S634 WeakPolarHBondContact O-CB 3.21Å; S631-S634 PolarHBondContact O-N 3.47Å; L632-S634 VanDerWaalsContact C-N 3.28Å; L632-S634 PolarHBondContact O-N 3.43Å; S634-Q636 VanDerWaalsContact C-N 3.35Å; S634-Q636 PolarHBondContact O-N 2.95Å; S634-L637 PolarHBondContact O-N 3.29Å; S634-F638 PolarHBondContact O-N 3.41Å
635D96.7Very high89.9Confident9 Ų951.3 Ų51.35%0.04827%0.265CS..Hα-helixtrans-65.9-37.6175.9-62.4-14.3000111.5Y610 Y613 R614 S631 L632 L637 F638 F639 A684Y610-D635 HydrophobicContact CE2-CB 4.41Å; Y610-D635 PolarHBondContact OH-OD2 3.5Å; Y613-D635 WeakPolarHBondContact CE1-OD1 3.42Å; Y613-D635 PolarHBondContact OH-N 3.09Å; Y613-D635 PolarHBondContact OH-OD1 2.72Å; R614-D635 WeakPolarHBondContact CD-OD1 3.32Å; R614-D635 IonicContact CZ-OD1 3.94Å; R614-D635 IonicContact NH1-OD1 2.97Å; R614-D635 PolarHBondContact NH1-OD1 3.25Å; R614-D635 IonicContact NH1-OD2 3.24Å; R614-D635 PolarHBondContact NH1-OD2 3.02Å; S631-D635 VanDerWaalsContact O-CG 3.32Å; S631-D635 PolarHBondContact O-N 3.22Å; L632-D635 PolarHBondContact O-N 3.01Å; D635-L637 VanDerWaalsContact C-N 3.35Å; D635-L637 PolarHBondContact O-N 3.44Å; D635-F638 WeakPolarHBondContact O-CB 2.99Å; D635-F638 PolarHBondContact O-N 2.94Å; D635-F639 WeakPolarHBondContact O-CD2 3.24Å; D635-F639 PolarHBondContact O-N 2.91Å; D635-A684 HydrophobicContact CB-CB 3.99Å
636Q97.4Very high91.5Very high59 Ų5941.5 Ų41.528%0.27622%0.222SC..Hα-helixtrans-60.3-43.7172.9-73.4172-11.400112L632 I633 S634 F638 F639 L640 A684 Y685L632-Q636 VanDerWaalsContact O-CG 3.32Å; L632-Q636 WeakPolarHBondContact O-CG 3.47Å; L632-Q636 PolarHBondContact O-N 2.94Å; I633-Q636 PolarHBondContact O-N 3.29Å; S634-Q636 VanDerWaalsContact C-N 3.35Å; S634-Q636 PolarHBondContact O-N 2.95Å; Q636-F638 VanDerWaalsContact C-N 3.32Å; Q636-F638 PolarHBondContact O-N 2.87Å; Q636-F639 PolarHBondContact O-N 3.49Å; Q636-L640 WeakPolarHBondContact O-CB 3.49Å; Q636-L640 PolarHBondContact O-N 3.22Å; Q636-A684 HydrophobicContact CG-CB 4.34Å; Q636-A684 WeakPolarHBondContact CG-O 3.45Å; Q636-A684 PolarHBondContact NE2-O 2.88Å; Q636-Y685 HydrophobicContact CB-CE1 4.44Å; Q636-Y685 HydrophobicContact CB-CE2 4.06Å; Q636-Y685 HydrophobicContact CG-CD2 4.31Å; Q636-Y685 HydrophobicContact CG-CE1 4.22Å; Q636-Y685 HydrophobicContact CG-CE2 3.99Å; Q636-Y685 PolarHBondContact O-OH 2.89Å
637L96.5Very high93Very high67 Ų6737.9 Ų37.935%0.35121%0.206SC..Hα-helixtrans-63.9-35.5177.6178.461.3000112.4S523 A525 I633 S634 D635 L640 S641S523-L637 VanDerWaalsContact OG-CD2 3.3Å; S523-L637 WeakPolarHBondContact OG-CD2 3.39Å; A525-L637 HydrophobicContact CB-CB 4.26Å; A525-L637 HydrophobicContact CB-CD2 4.3Å; A525-L637 HydrophobicContact CB-CG 4.28Å; I633-L637 PolarHBondContact O-N 3.41Å; S634-L637 PolarHBondContact O-N 3.29Å; D635-L637 VanDerWaalsContact C-N 3.35Å; D635-L637 PolarHBondContact O-N 3.44Å; L637-L640 PolarHBondContact O-N 3.25Å; L637-S641 WeakPolarHBondContact O-CB 3.27Å; L637-S641 PolarHBondContact O-N 3.46Å; L637-S641 PolarHBondContact O-OG 3Å
638F98.3Very high94Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-58-54174.9172-83.3000110.9A525 Y528 G529 L606 Y610 Y613 S634 D635 Q636 L640 S641 F642A525-F638 HydrophobicContact CB-CB 4.09Å; A525-F638 WeakPolarHBondContact O-CA 3.4Å; Y528-F638 VanDerWaalsContact C-CE2 3.45Å; Y528-F638 WeakPolarHBondContact O-CE2 3.33Å; G529-F638 WeakPolarHBondContact CA-O 3.45Å; L606-F638 HydrophobicContact CD1-CE1 3.65Å; L606-F638 HydrophobicContact CD1-CZ 4.02Å; Y610-F638 AromaticContact CD2-CD1 3.62Å; Y610-F638 HydrophobicContact CD2-CD1 3.62Å; Y610-F638 HydrophobicContact CD2-CD2 4.5Å; Y610-F638 AromaticContact CD2-CE1 3.69Å; Y610-F638 HydrophobicContact CD2-CE1 3.69Å; Y610-F638 HydrophobicContact CD2-CG 4.08Å; Y610-F638 HydrophobicContact CD2-CZ 4.17Å; Y610-F638 HydrophobicContact CE2-CD1 4.42Å; Y610-F638 HydrophobicContact CG-CE1 4.19Å; Y610-F638 HydrophobicContact CG-CZ 4.41Å; Y613-F638 HydrophobicContact CD1-CB 4.37Å; Y613-F638 AromaticContact CD1-CD2 3.8Å; Y613-F638 HydrophobicContact CD1-CD2 3.8Å; Y613-F638 HydrophobicContact CD1-CE2 4.41Å; Y613-F638 HydrophobicContact CD1-CG 4.19Å; Y613-F638 HydrophobicContact CE1-CB 4.25Å; Y613-F638 HydrophobicContact CE1-CD2 4.5Å; Y613-F638 HydrophobicContact CG-CD2 4.01Å; S634-F638 PolarHBondContact O-N 3.41Å; D635-F638 WeakPolarHBondContact O-CB 2.99Å; D635-F638 PolarHBondContact O-N 2.94Å; Q636-F638 VanDerWaalsContact C-N 3.32Å; Q636-F638 PolarHBondContact O-N 2.87Å; F638-L640 VanDerWaalsContact C-N 3.34Å; F638-L640 PolarHBondContact O-N 2.87Å; F638-S641 PolarHBondContact O-N 3.04Å; F638-F642 PolarHBondContact O-N 2.63Å
639F98.5Very high94.6Very high1 Ų131.4 Ų31.40%0.00417%0.165CC..Hα-helixtrans-69.6-32.4-178.2-65.2-66.6000112.7F63 L606 Y610 D635 Q636 F642 A643 L675 E680 F681 A684 Y685F63-F639 HydrophobicContact CE1-CB 4.46Å; F63-F639 HydrophobicContact CZ-CB 4.39Å; L606-F639 HydrophobicContact CD2-CE1 4.49Å; Y610-F639 HydrophobicContact CD2-CE1 4.26Å; Y610-F639 HydrophobicContact CD2-CE2 4.1Å; Y610-F639 AromaticContact CD2-CZ 3.61Å; Y610-F639 HydrophobicContact CD2-CZ 3.61Å; Y610-F639 AromaticContact CE2-CE2 3.76Å; Y610-F639 HydrophobicContact CE2-CE2 3.76Å; Y610-F639 AromaticContact CE2-CZ 3.66Å; Y610-F639 HydrophobicContact CE2-CZ 3.66Å; Y610-F639 HydrophobicContact CG-CZ 4.31Å; D635-F639 WeakPolarHBondContact O-CD2 3.24Å; D635-F639 PolarHBondContact O-N 2.91Å; Q636-F639 PolarHBondContact O-N 3.49Å; F639-F642 PolarHBondContact O-N 2.97Å; F639-A643 WeakPolarHBondContact O-CB 3.07Å; F639-A643 PolarHBondContact O-N 2.97Å; F639-L675 HydrophobicContact CB-CD2 4.46Å; F639-L675 HydrophobicContact CD1-CD2 3.49Å; F639-L675 VanDerWaalsContact CD1-CD2 3.49Å; F639-L675 HydrophobicContact CE1-CD2 4.11Å; F639-L675 HydrophobicContact CG-CD2 4.28Å; F639-E680 HydrophobicContact CZ-CB 3.94Å; F639-F681 HydrophobicContact CB-CD2 4.04Å; F639-F681 HydrophobicContact CD1-CB 4.06Å; F639-F681 HydrophobicContact CD1-CD2 4.16Å; F639-F681 HydrophobicContact CD2-CB 4.32Å; F639-F681 HydrophobicContact CD2-CD2 4.18Å; F639-F681 HydrophobicContact CE1-CB 3.82Å; F639-F681 VanDerWaalsContact CE2-CA 3.45Å; F639-F681 HydrophobicContact CE2-CB 4.12Å; F639-F681 HydrophobicContact CG-CB 4.31Å; F639-F681 AromaticContact CG-CD2 3.86Å; F639-F681 HydrophobicContact CG-CD2 3.86Å; F639-F681 HydrophobicContact CZ-CB 3.86Å; F639-F681 VanDerWaalsContact CZ-N 3.31Å; F639-A684 HydrophobicContact CD2-CB 3.93Å; F639-A684 HydrophobicContact CE2-CB 3.86Å; F639-Y685 HydrophobicContact CB-CE2 4.04Å; F639-Y685 HydrophobicContact CD2-CE2 4.43Å
640L97.6Very high95.1Very high41 Ų4127.6 Ų27.622%0.21514%0.143CC..Hα-helixtrans-63.4-45.1173.2-177.363.2000111F66 A67 Q636 L637 F638 F642 A643 Q644F66-L640 HydrophobicContact CE1-CD1 4.3Å; A67-L640 HydrophobicContact CB-CD1 3.89Å; Q636-L640 WeakPolarHBondContact O-CB 3.49Å; Q636-L640 PolarHBondContact O-N 3.22Å; L637-L640 PolarHBondContact O-N 3.25Å; F638-L640 VanDerWaalsContact C-N 3.34Å; F638-L640 PolarHBondContact O-N 2.87Å; L640-F642 VanDerWaalsContact C-N 3.34Å; L640-F642 PolarHBondContact O-N 3.43Å; L640-A643 PolarHBondContact O-N 2.85Å; L640-Q644 HydrophobicContact CD1-CG 4.09Å; L640-Q644 HydrophobicContact CG-CG 4.35Å; L640-Q644 VanDerWaalsContact O-CB 3.31Å; L640-Q644 WeakPolarHBondContact O-CB 3.07Å; L640-Q644 WeakPolarHBondContact O-CG 3.42Å; L640-Q644 PolarHBondContact O-N 3.38Å
641S97.8Very high95.4Very high1 Ų128.2 Ų28.21%0.00714%0.144CC..Hα-helixtrans-65.1-38.6179.3-55.90000111.8S526 L637 F638 S645S526-S641 WeakPolarHBondContact CA-OG 3.41Å; S526-S641 WeakPolarHBondContact CB-OG 3.48Å; L637-S641 WeakPolarHBondContact O-CB 3.27Å; L637-S641 PolarHBondContact O-N 3.46Å; L637-S641 PolarHBondContact O-OG 3Å; F638-S641 PolarHBondContact O-N 3.04Å; S641-S645 WeakPolarHBondContact O-CB 3.44Å; S641-S645 PolarHBondContact O-N 3.43Å
642F98.4Very high95.5Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-57.2-56.9170.8165.5-112.1000111.5G529 W533 L606 F638 F639 L640 Q644 S645 L646 V671 A674 L675G529-F642 WeakPolarHBondContact O-CA 3.48Å; G529-F642 WeakPolarHBondContact O-CB 3.42Å; G529-F642 PolarHBondContact O-N 3.32Å; W533-F642 HydrophobicContact CB-CD2 4.32Å; W533-F642 AromaticContact CD1-CD2 3.93Å; W533-F642 AromaticContact CD1-CE2 3.81Å; W533-F642 AromaticContact CD2-CD2 3.63Å; W533-F642 HydrophobicContact CD2-CD2 3.63Å; W533-F642 AromaticContact CD2-CE2 3.6Å; W533-F642 HydrophobicContact CD2-CE2 3.6Å; W533-F642 AromaticContact CE2-CD2 3.96Å; W533-F642 AromaticContact CE2-CE2 3.41Å; W533-F642 VanDerWaalsContact CE2-CE2 3.41Å; W533-F642 HydrophobicContact CE3-CD2 4.11Å; W533-F642 HydrophobicContact CE3-CE2 4.22Å; W533-F642 AromaticContact CG-CD2 3.66Å; W533-F642 HydrophobicContact CG-CD2 3.66Å; W533-F642 AromaticContact CG-CE2 3.89Å; W533-F642 HydrophobicContact CG-CE2 3.89Å; W533-F642 HydrophobicContact CH2-CE2 4.5Å; W533-F642 AromaticContact CZ2-CE2 3.89Å; W533-F642 HydrophobicContact CZ2-CE2 3.89Å; W533-F642 AromaticContact NE1-CE2 3.48Å; L606-F642 HydrophobicContact CD1-CB 4.1Å; L606-F642 HydrophobicContact CD1-CD1 3.83Å; L606-F642 HydrophobicContact CD1-CD2 3.79Å; L606-F642 HydrophobicContact CD1-CE1 4.19Å; L606-F642 HydrophobicContact CD1-CE2 4.16Å; L606-F642 HydrophobicContact CD1-CG 3.6Å; L606-F642 HydrophobicContact CD1-CZ 4.35Å; L606-F642 HydrophobicContact CD2-CD1 4.23Å; L606-F642 HydrophobicContact CD2-CE1 3.95Å; L606-F642 HydrophobicContact CD2-CZ 4.28Å; F638-F642 PolarHBondContact O-N 2.63Å; F639-F642 PolarHBondContact O-N 2.97Å; L640-F642 VanDerWaalsContact C-N 3.34Å; L640-F642 PolarHBondContact O-N 3.43Å; F642-Q644 VanDerWaalsContact C-N 3.34Å; F642-Q644 PolarHBondContact O-N 3.41Å; F642-S645 PolarHBondContact O-N 3.29Å; F642-S645 PolarHBondContact O-OG 3.02Å; F642-L646 HydrophobicContact CD2-CD1 4.34Å; F642-L646 HydrophobicContact CE2-CD1 3.61Å; F642-L646 HydrophobicContact CZ-CD1 3.91Å; F642-V671 HydrophobicContact CE1-CG1 4.43Å; F642-A674 HydrophobicContact CE1-CB 4.16Å; F642-A674 HydrophobicContact CZ-CB 3.93Å; F642-L675 HydrophobicContact CD1-CD1 4.45Å; F642-L675 HydrophobicContact CD1-CD2 4.02Å; F642-L675 HydrophobicContact CD1-CG 4.32Å; F642-L675 HydrophobicContact CE1-CD1 4.39Å; F642-L675 HydrophobicContact CE1-CD2 4.07Å; F642-L675 HydrophobicContact CE1-CG 4.02Å
643A98.3Very high95.4Very high0 Ų030.5 Ų30.50%016%0.163CC..Hα-helixtrans-61.5-42.2-177.800000112.2F63 A67 F639 L640 S645 L646 V671F63-A643 HydrophobicContact CD1-CB 3.96Å; F63-A643 HydrophobicContact CE1-CB 3.67Å; A67-A643 HydrophobicContact CB-CB 3.55Å; F639-A643 WeakPolarHBondContact O-CB 3.07Å; F639-A643 PolarHBondContact O-N 2.97Å; L640-A643 PolarHBondContact O-N 2.85Å; A643-S645 VanDerWaalsContact C-N 3.27Å; A643-S645 PolarHBondContact O-N 3.48Å; A643-L646 CarbonylContact O-C 3.51Å; A643-L646 PolarHBondContact O-N 3.17Å; A643-V671 HydrophobicContact CB-CG1 3.65Å; A643-V671 HydrophobicContact CB-CG2 4.32Å
644Q97Very high95.1Very high61 Ų6128.3 Ų28.329%0.28515%0.152SC..Hα-helixtrans-68.8-22.9179.3-74.6-176.9-19.900113.9A67 T86 L640 F642 L646A67-Q644 HydrophobicContact CB-CG 4.34Å; A67-Q644 PolarHBondContact O-NE2 3.11Å; T86-Q644 WeakPolarHBondContact CG2-O 3.45Å; L640-Q644 HydrophobicContact CD1-CG 4.09Å; L640-Q644 HydrophobicContact CG-CG 4.35Å; L640-Q644 VanDerWaalsContact O-CB 3.31Å; L640-Q644 WeakPolarHBondContact O-CB 3.07Å; L640-Q644 WeakPolarHBondContact O-CG 3.42Å; L640-Q644 PolarHBondContact O-N 3.38Å; F642-Q644 VanDerWaalsContact C-N 3.34Å; F642-Q644 PolarHBondContact O-N 3.41Å; Q644-L646 PolarHBondContact O-N 2.94Å
645S96.4Very high94.9Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-70.5-19.1171.677.30000112.7T86 F517 S641 F642 A643T86-S645 PolarHBondContact OG1-O 3.18Å; F517-S645 WeakPolarHBondContact CZ-O 3.32Å; S641-S645 WeakPolarHBondContact O-CB 3.44Å; S641-S645 PolarHBondContact O-N 3.43Å; F642-S645 PolarHBondContact O-N 3.29Å; F642-S645 PolarHBondContact O-OG 3.02Å; A643-S645 VanDerWaalsContact C-N 3.27Å; A643-S645 PolarHBondContact O-N 3.48Å
646L97Very high94.4Very high0 Ų033.1 Ų33.10%018%0.176CC..THydrogen-bonded Turntrans-12039.1-175.8-66.2175000112F87 W533 F642 A643 Q644 E667 R670 V671F87-L646 HydrophobicContact CE2-CD2 4.17Å; W533-L646 HydrophobicContact CH2-CD1 3.61Å; W533-L646 HydrophobicContact CH2-CD2 3.72Å; W533-L646 HydrophobicContact CH2-CG 3.98Å; W533-L646 HydrophobicContact CZ2-CD1 3.96Å; W533-L646 HydrophobicContact CZ3-CD1 4Å; W533-L646 HydrophobicContact CZ3-CD2 3.9Å; W533-L646 HydrophobicContact CZ3-CG 4Å; F642-L646 HydrophobicContact CD2-CD1 4.34Å; F642-L646 HydrophobicContact CE2-CD1 3.61Å; F642-L646 HydrophobicContact CZ-CD1 3.91Å; A643-L646 CarbonylContact O-C 3.51Å; A643-L646 PolarHBondContact O-N 3.17Å; Q644-L646 PolarHBondContact O-N 2.94Å; L646-E667 WeakPolarHBondContact O-CB 3.28Å; L646-R670 HydrophobicContact CD1-CB 4.05Å; L646-V671 HydrophobicContact CB-CG2 3.68Å; L646-V671 HydrophobicContact CD1-CG2 4.07Å
647C97.8Very high93.7Very high1 Ų133.4 Ų33.41%0.00718%0.179CC..  trans-82.9139.5169.4-56.80000111C68 W71 T85 T86C68-C647 WeakPolarHBondContact CA-SG 3.47Å; C68-C647 HydrophobicContact CB-CB 3.7Å; C68-C647 WeakPolarHBondContact CB-SG 3.32Å; C68-C647 WeakPolarHBondContact SG-CA 3.38Å; C68-C647 WeakPolarHBondContact SG-CB 3.49Å; C68-C647 CovalentContact SG-SG 2.04Å; C68-C647 PolarHBondContact SG-SG 2.78Å; W71-C647 HydrophobicContact CB-CB 4.49Å; W71-C647 HydrophobicContact CD2-CB 3.74Å; W71-C647 HydrophobicContact CE3-CB 3.49Å; W71-C647 VanDerWaalsContact CE3-CB 3.49Å; W71-C647 HydrophobicContact CG-CB 4.19Å; W71-C647 HydrophobicContact CZ3-CB 4Å; T85-C647 WeakPolarHBondContact CA-O 3.43Å; T86-C647 HydrophobicContact CG2-CB 3.88Å; T86-C647 WeakPolarHBondContact CG2-O 3.37Å; T86-C647 PolarHBondContact N-O 3.41Å
648G95.4Very high93.2Very high6 Ų631.2 Ų31.26%0.06217%0.167CC..EExtended strand (participates in β ladder)trans178150.4175.800000114.2Y64 W84Y64-G648 PolarHBondContact OH-N 3.21Å; Y64-G648 PolarHBondContact OH-O 2.99Å; W84-G648 CarbonylContact O-C 3.49Å; W84-G648 WeakPolarHBondContact O-CA 3.15Å
649H92.2Very high92.6Very high31 Ų3131.9 Ų31.914%0.14417%0.171CC..EExtended strand (participates in β ladder)trans-137153.2177.452.646.9000111.6N75 L77 W84N75-H649 PolarHBondContact O-CE1 3.41Å; N75-H649 PolarHBondContact O-NE2 2.94Å; L77-H649 WeakPolarHBondContact CD2-CE1 3.42Å; L77-H649 WeakPolarHBondContact CD2-ND1 3.48Å; L77-H649 WeakPolarHBondContact CG-CE1 3.43Å; L77-H649 WeakPolarHBondContact CG-ND1 3.4Å; W84-H649 PolarHBondContact N-O 3.35Å; W84-H649 PolarHBondContact O-N 2.81Å
650H92.3Very high91.8Very high17 Ų1736.7 Ų36.78%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-141.7134.9-170.6-51.6-88.7000110.6S83 L655 H658 E667S83-H650 WeakPolarHBondContact CB-ND1 3.38Å; S83-H650 PolarHBondContact OG-CE1 3.47Å; S83-H650 PolarHBondContact OG-ND1 2.81Å; H650-L655 HydrophobicContact CB-CB 4.01Å; H650-L655 HydrophobicContact CB-CD1 4.12Å; H650-H658 AromaticContact CE1-CD2 3.6Å; H650-H658 AromaticContact NE2-CD2 3.86Å; H650-E667 IonicContact CD2-OE2 3.4Å; H650-E667 IonicContact CE1-OE2 2.68Å; H650-E667 IonicContact NE2-OE1 3.5Å; H650-E667 IonicContact NE2-OE2 3.46Å; H650-E667 PolarHBondContact NE2-OE2 3.44Å
651H90Very high91.1Very high103 Ų10340.6 Ų40.648%0.47722%0.22SC..  trans-125.3164.3173.4-71.1166.1000112.4L77 Q80 A82 N654 L655L77-H651 HydrophobicContact CD1-CB 3.8Å; L77-H651 VanDerWaalsContact CD1-ND1 3.28Å; L77-H651 WeakPolarHBondContact CD1-ND1 3.21Å; Q80-H651 CarbonylContact O-C 3.32Å; Q80-H651 VanDerWaalsContact O-CB 3.23Å; Q80-H651 WeakPolarHBondContact O-CB 3.36Å; A82-H651 PolarHBondContact O-N 3.43Å; H651-N654 PolarHBondContact O-N 2.9Å; H651-L655 PolarHBondContact O-N 3.37Å
652G89.6Confident90.7Very high36 Ų3643.5 Ų43.537%0.37124%0.235SC..Hα-helixtrans56.7-135.2169.700000114.3Q80 D81 N654 L655 L656Q80-G652 WeakPolarHBondContact O-CA 3.41Å; Q80-G652 PolarHBondContact O-N 3.18Å; D81-G652 VanDerWaalsContact OD1-CA 3.28Å; D81-G652 WeakPolarHBondContact OD1-CA 3.45Å; G652-N654 VanDerWaalsContact C-N 3.28Å; G652-N654 PolarHBondContact O-N 3.24Å; G652-L655 WeakPolarHBondContact O-CB 3.43Å; G652-L655 PolarHBondContact O-N 3.44Å; G652-L656 PolarHBondContact O-N 3.13Å
653I88Confident90.4Very high88 Ų8845.7 Ų45.745%0.45125%0.249SC..Hα-helixtrans-62.6-34.3-179.6-164.563000112.3D81 L655 L656 I657D81-I653 HydrophobicContact CB-CG2 3.81Å; D81-I653 PolarHBondContact OD1-N 3.13Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 2.98Å; I653-L656 HydrophobicContact CD1-CD1 4.3Å; I653-L656 CarbonylContact O-C 3.55Å; I653-L656 WeakPolarHBondContact O-CA 3.44Å; I653-L656 WeakPolarHBondContact O-CB 3.37Å; I653-L656 PolarHBondContact O-N 3.48Å; I653-I657 HydrophobicContact CG1-CD1 4.04Å; I653-I657 HydrophobicContact CG1-CG1 4.3Å; I653-I657 VanDerWaalsContact O-CG1 3.31Å; I653-I657 WeakPolarHBondContact O-CG1 3.38Å; I653-I657 PolarHBondContact O-N 2.98Å
654N87.8Confident90.1Very high58 Ų5848.1 Ų48.131%0.3126%0.26SS..Hα-helixtrans-68.2-35-179.7-90.6-36.5000112.1D81 H651 G652 L656 I657 H658D81-N654 PolarHBondContact O-ND2 3.23Å; H651-N654 PolarHBondContact O-N 2.9Å; G652-N654 VanDerWaalsContact C-N 3.28Å; G652-N654 PolarHBondContact O-N 3.24Å; N654-L656 VanDerWaalsContact C-N 3.31Å; N654-L656 PolarHBondContact O-N 3.05Å; N654-I657 PolarHBondContact O-N 3.35Å; N654-H658 VanDerWaalsContact O-CB 3.3Å; N654-H658 WeakPolarHBondContact O-CB 3.29Å; N654-H658 PolarHBondContact O-N 3.44Å
655L89Confident90Very high30 Ų3045.3 Ų45.316%0.15725%0.247CC..Hα-helixtrans-60.4-42.1169.1175.861.6000111.3F585 H650 H651 G652 I653 S659 M666F585-L655 HydrophobicContact CD2-CD1 4.31Å; F585-L655 HydrophobicContact CE1-CD2 4.15Å; F585-L655 HydrophobicContact CE1-CG 4.46Å; F585-L655 HydrophobicContact CE2-CD1 4.27Å; F585-L655 HydrophobicContact CE2-CD2 4.09Å; F585-L655 HydrophobicContact CZ-CD2 3.71Å; F585-L655 HydrophobicContact CZ-CG 4.36Å; H650-L655 HydrophobicContact CB-CB 4.01Å; H650-L655 HydrophobicContact CB-CD1 4.12Å; H651-L655 PolarHBondContact O-N 3.37Å; G652-L655 WeakPolarHBondContact O-CB 3.43Å; G652-L655 PolarHBondContact O-N 3.44Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 2.98Å; L655-S659 WeakPolarHBondContact O-CB 3.36Å; L655-S659 PolarHBondContact O-N 3.17Å; L655-S659 PolarHBondContact O-OG 2.95Å; L655-M666 HydrophobicContact CD1-SD 3.41Å; L655-M666 WeakPolarHBondContact CD1-SD 3.28Å
656L86.4Confident89.9Confident96 Ų9646.5 Ų46.550%0.50325%0.253SS..Hα-helixtrans-68-46.1178.3-63.2176.5000112.2G652 I653 N654 H658 S659 V660G652-L656 PolarHBondContact O-N 3.13Å; I653-L656 HydrophobicContact CD1-CD1 4.3Å; I653-L656 CarbonylContact O-C 3.55Å; I653-L656 WeakPolarHBondContact O-CA 3.44Å; I653-L656 WeakPolarHBondContact O-CB 3.37Å; I653-L656 PolarHBondContact O-N 3.48Å; N654-L656 VanDerWaalsContact C-N 3.31Å; N654-L656 PolarHBondContact O-N 3.05Å; L656-H658 VanDerWaalsContact C-N 3.35Å; L656-H658 PolarHBondContact O-N 2.92Å; L656-S659 PolarHBondContact O-N 3.3Å; L656-S659 VanDerWaalsContact O-N 3.15Å; L656-V660 WeakPolarHBondContact O-CB 3.41Å; L656-V660 WeakPolarHBondContact O-CG2 3.5Å; L656-V660 PolarHBondContact O-N 3.37Å
657I84.1Confident89.8Confident65 Ų6547.1 Ų47.133%0.33326%0.256SS..Hα-helixtrans-56.5-50.2174.9-70170.3000109.5I653 N654 S659 V660 I661I653-I657 HydrophobicContact CG1-CD1 4.04Å; I653-I657 HydrophobicContact CG1-CG1 4.3Å; I653-I657 VanDerWaalsContact O-CG1 3.31Å; I653-I657 WeakPolarHBondContact O-CG1 3.38Å; I653-I657 PolarHBondContact O-N 2.98Å; N654-I657 PolarHBondContact O-N 3.35Å; I657-S659 VanDerWaalsContact C-N 3.29Å; I657-S659 PolarHBondContact O-N 3.46Å; I657-V660 PolarHBondContact O-N 3.39Å; I657-I661 HydrophobicContact CG2-CD1 4.18Å; I657-I661 WeakPolarHBondContact O-CB 3.43Å; I657-I661 PolarHBondContact O-N 2.95Å
658H85.3Confident89.7Confident21 Ų2150.8 Ų50.810%0.09727%0.27CS..Hα-helixtrans-62.1-39.8178-166.1-63.8000111.4K589 H650 N654 L656 V660 H664K589-H658 PolarHBondContact NZ-O 3.12Å; H650-H658 AromaticContact CE1-CD2 3.6Å; H650-H658 AromaticContact NE2-CD2 3.86Å; N654-H658 VanDerWaalsContact O-CB 3.3Å; N654-H658 WeakPolarHBondContact O-CB 3.29Å; N654-H658 PolarHBondContact O-N 3.44Å; L656-H658 VanDerWaalsContact C-N 3.35Å; L656-H658 PolarHBondContact O-N 2.92Å; H658-V660 VanDerWaalsContact C-N 3.33Å; H658-V660 PolarHBondContact O-N 3.29Å; H658-H664 PolarHBondContact CE1-O 2.99Å
659S85Confident89.8Confident13 Ų1351.6 Ų51.69%0.09127%0.271CS..Hα-helixtrans-68.3-29.8-179.1-61.50000113.4F585 K589 L655 L656 I657F585-S659 WeakPolarHBondContact CB-OG 3.26Å; K589-S659 VanDerWaalsContact CD-O 3.28Å; K589-S659 WeakPolarHBondContact CD-O 3.49Å; L655-S659 WeakPolarHBondContact O-CB 3.36Å; L655-S659 PolarHBondContact O-N 3.17Å; L655-S659 PolarHBondContact O-OG 2.95Å; L656-S659 PolarHBondContact O-N 3.3Å; L656-S659 VanDerWaalsContact O-N 3.15Å; I657-S659 VanDerWaalsContact C-N 3.29Å; I657-S659 PolarHBondContact O-N 3.46Å
660V82.8Confident90Very high103 Ų10350.8 Ų50.862%0.62427%0.267SS*.Hα-helixtrans-106.8-43.3-172.5178.30000113.4L656 I657 H658L656-V660 WeakPolarHBondContact O-CB 3.41Å; L656-V660 WeakPolarHBondContact O-CG2 3.5Å; L656-V660 PolarHBondContact O-N 3.37Å; I657-V660 PolarHBondContact O-N 3.39Å; H658-V660 VanDerWaalsContact C-N 3.33Å; H658-V660 PolarHBondContact O-N 3.29Å
661I82.6Confident90.3Very high122 Ų12250 Ų5063%0.62626%0.263SS*.THydrogen-bonded Turntrans-97.9-45.5-166.5-56.6179.6000111.9I657I657-I661 HydrophobicContact CG2-CD1 4.18Å; I657-I661 WeakPolarHBondContact O-CB 3.43Å; I657-I661 PolarHBondContact O-N 2.95Å
662I88.4Confident90.6Very high63 Ų6345.8 Ų45.832%0.32324%0.244SC..SBendtrans-70.9132.2-177.8-57.4-58.7000108.8K589 H664K589-I662 WeakPolarHBondContact CE-O 3.41Å; K589-I662 PolarHBondContact NZ-O 3.45Å; I662-H664 HydrophobicContact CG2-CB 4.2Å; I662-H664 PolarHBondContact O-N 3.27Å
663P92.5Very high90.9Very high45 Ų4544 Ų4429%0.29223%0.226SC..SBendtrans-69.2-34.5-176.625.1-34.2000113.1D594 T595 E598D594-P663 HydrophobicContact CB-CB 4.09Å; T595-P663 WeakPolarHBondContact CA-O 3.47Å; T595-P663 VanDerWaalsContact CB-O 3.31Å; T595-P663 WeakPolarHBondContact CB-O 3.25Å; T595-P663 WeakPolarHBondContact CG2-O 3.26Å; T595-P663 PolarHBondContact OG1-O 3.39Å; E598-P663 HydrophobicContact CG-CB 4.07Å; E598-P663 HydrophobicContact CG-CG 4.44Å
664H93.4Very high91.3Very high51 Ų5140 Ų4024%0.23621%0.206CC..SBendtrans-61.8141.8176.8-58.494.1000112.1K589 E598 H658 I662 R670K589-H664 PolarHBondContact NZ-O 3.35Å; E598-H664 IonicContact OE2-CD2 3.28Å; E598-H664 PolarHBondContact OE2-CD2 3.11Å; E598-H664 IonicContact OE2-CE1 3.52Å; E598-H664 IonicContact OE2-NE2 3.82Å; E598-H664 PolarHBondContact OE2-NE2 3.17Å; E598-H664 VanDerWaalsContact OE2-NE2 3.11Å; H658-H664 PolarHBondContact CE1-O 2.99Å; I662-H664 HydrophobicContact CG2-CB 4.2Å; I662-H664 PolarHBondContact O-N 3.27Å; H664-R670 VanDerWaalsContact CD2-CZ 3.48Å
665V94.3Very high91.8Very high2 Ų237.2 Ų37.21%0.01219%0.191CC..PPolyproline II helixtrans-68.3163163.5-60.20000109.9Y580 T586 T595 I599 R670Y580-V665 HydrophobicContact CD1-CG1 4.18Å; Y580-V665 HydrophobicContact CD1-CG2 4.37Å; Y580-V665 HydrophobicContact CE1-CG2 4.01Å; T586-V665 HydrophobicContact CG2-CB 4.29Å; T586-V665 HydrophobicContact CG2-CG1 3.95Å; T595-V665 HydrophobicContact CG2-CG1 3.76Å; I599-V665 HydrophobicContact CD1-CG1 4.08Å; I599-V665 HydrophobicContact CG1-CG1 4.21Å; V665-R670 HydrophobicContact CG2-CB 4.44Å; V665-R670 HydrophobicContact CG2-CG 3.59Å; V665-R670 WeakPolarHBondContact O-CD 3.34Å; V665-R670 WeakPolarHBondContact O-CG 2.98Å
666M93.6Very high92.1Very high26 Ų2636 Ų3613%0.12819%0.185CC..PPolyproline II helixtrans-57148.5176.4-63.3-174-61.900110.9F585 L655 R668 Y669 R670F585-M666 HydrophobicContact CB-CE 4.28Å; F585-M666 HydrophobicContact CD2-CE 3.57Å; F585-M666 HydrophobicContact CD2-SD 4.24Å; F585-M666 HydrophobicContact CE2-CE 4.39Å; F585-M666 HydrophobicContact CG-CE 4.34Å; L655-M666 HydrophobicContact CD1-SD 3.41Å; L655-M666 WeakPolarHBondContact CD1-SD 3.28Å; M666-R668 PolarHBondContact O-N 3.28Å; M666-R668 VanDerWaalsContact O-N 3.12Å; M666-Y669 HydrophobicContact CB-CD2 4.33Å; M666-Y669 HydrophobicContact CE-CD2 3.75Å; M666-Y669 HydrophobicContact CE-CE2 3.35Å; M666-Y669 WeakPolarHBondContact O-CA 3.25Å; M666-Y669 PolarHBondContact O-N 3.36Å; M666-R670 PolarHBondContact O-N 3.38Å
667E95.6Very high92.5Very high12 Ų1232.4 Ų32.46%0.05617%0.166CC..Hα-helixtrans-38-52.8178.8-79.176.9-164.700112.6Y64 T85 L646 H650 Y669 R670 V671Y64-E667 HydrophobicContact CE2-CB 4.19Å; T85-E667 WeakPolarHBondContact CG2-OE1 3.47Å; L646-E667 WeakPolarHBondContact O-CB 3.28Å; H650-E667 IonicContact CD2-OE2 3.4Å; H650-E667 IonicContact CE1-OE2 2.68Å; H650-E667 IonicContact NE2-OE1 3.5Å; H650-E667 IonicContact NE2-OE2 3.46Å; H650-E667 PolarHBondContact NE2-OE2 3.44Å; E667-Y669 VanDerWaalsContact C-N 3.26Å; E667-Y669 PolarHBondContact O-N 2.93Å; E667-R670 WeakPolarHBondContact O-CB 3.38Å; E667-R670 PolarHBondContact O-N 2.75Å; E667-R670 VanDerWaalsContact O-N 3.1Å; E667-V671 PolarHBondContact O-N 2.95Å
668R96Very high93.1Very high79 Ų7930 Ų3030%0.29816%0.155SC..Hα-helixtrans-50.3-44.7176.3178.7174.8178.882.61.4113.7D62 Y64 M666 I672D62-R668 VanDerWaalsContact CG-NH1 3.33Å; D62-R668 IonicContact OD1-CZ 3.87Å; D62-R668 IonicContact OD1-NH1 3.44Å; D62-R668 PolarHBondContact OD1-NH1 2.9Å; D62-R668 IonicContact OD1-NH2 2.95Å; D62-R668 PolarHBondContact OD1-NH2 3.47Å; D62-R668 IonicContact OD2-CZ 2.79Å; D62-R668 IonicContact OD2-NH1 2.83Å; D62-R668 PolarHBondContact OD2-NH1 2.86Å; D62-R668 IonicContact OD2-NH2 2.75Å; D62-R668 PolarHBondContact OD2-NH2 3.12Å; Y64-R668 HydrophobicContact CD1-CB 4.05Å; Y64-R668 HydrophobicContact CD1-CG 3.93Å; Y64-R668 VanDerWaalsContact CD2-CA 3.44Å; Y64-R668 HydrophobicContact CD2-CB 4.11Å; Y64-R668 HydrophobicContact CD2-CG 4.43Å; Y64-R668 HydrophobicContact CE1-CB 4.14Å; Y64-R668 HydrophobicContact CE1-CG 4.46Å; Y64-R668 HydrophobicContact CE2-CB 4.16Å; Y64-R668 HydrophobicContact CG-CB 4.02Å; Y64-R668 HydrophobicContact CG-CG 3.9Å; M666-R668 PolarHBondContact O-N 3.28Å; M666-R668 VanDerWaalsContact O-N 3.12Å; R668-I672 HydrophobicContact CG-CD1 3.63Å; R668-I672 HydrophobicContact CG-CG1 4.41Å; R668-I672 VanDerWaalsContact O-CB 3.31Å; R668-I672 WeakPolarHBondContact O-CB 3.17Å; R668-I672 VanDerWaalsContact O-CG1 3.25Å; R668-I672 WeakPolarHBondContact O-CG1 3.49Å; R668-I672 PolarHBondContact O-N 3.09Å
669Y96.3Very high93.5Very high22 Ų2235.2 Ų35.29%0.08618%0.177CC..Hα-helixtrans-85.6-21-177.2-59.7-51.3000113.2Y580 Y583 K584 T586 M666 E667 G673Y580-Y669 WeakPolarHBondContact CE1-O 3.16Å; Y583-Y669 AromaticContact CD1-CD1 3.87Å; Y583-Y669 HydrophobicContact CD1-CD1 3.87Å; Y583-Y669 AromaticContact CD1-CE1 3.76Å; Y583-Y669 HydrophobicContact CD1-CE1 3.76Å; Y583-Y669 AromaticContact CD2-CD1 3.58Å; Y583-Y669 HydrophobicContact CD2-CD1 3.58Å; Y583-Y669 HydrophobicContact CD2-CE1 4.26Å; Y583-Y669 AromaticContact CD2-CG 3.88Å; Y583-Y669 HydrophobicContact CD2-CG 3.88Å; Y583-Y669 HydrophobicContact CE1-CD1 4.45Å; Y583-Y669 HydrophobicContact CE2-CD1 4.2Å; Y583-Y669 AromaticContact CG-CD1 3.4Å; Y583-Y669 HydrophobicContact CG-CD1 3.4Å; Y583-Y669 AromaticContact CG-CE1 3.59Å; Y583-Y669 HydrophobicContact CG-CE1 3.59Å; Y583-Y669 AromaticContact CG-CG 3.94Å; Y583-Y669 HydrophobicContact CG-CG 3.94Å; K584-Y669 HydrophobicContact CB-CE2 4.27Å; K584-Y669 WeakPolarHBondContact CB-OH 3.15Å; K584-Y669 PolarHBondContact N-OH 3.21Å; K584-Y669 VanDerWaalsContact N-OH 3.11Å; K584-Y669 WeakPolarHBondContact O-CE2 3.39Å; T586-Y669 HydrophobicContact CG2-CD2 4.18Å; M666-Y669 HydrophobicContact CB-CD2 4.33Å; M666-Y669 HydrophobicContact CE-CD2 3.75Å; M666-Y669 HydrophobicContact CE-CE2 3.35Å; M666-Y669 WeakPolarHBondContact O-CA 3.25Å; M666-Y669 PolarHBondContact O-N 3.36Å; E667-Y669 VanDerWaalsContact C-N 3.26Å; E667-Y669 PolarHBondContact O-N 2.93Å; Y669-G673 WeakPolarHBondContact O-CA 3.35Å; Y669-G673 PolarHBondContact O-N 3.47Å
670R97.3Very high94.1Very high15 Ų1536.6 Ų36.66%0.05718%0.182CC..Hα-helixtrans-63.1-44.9165.3-58.9-173.869.1-177.92.8110.5D602 L646 H664 V665 M666 E667 A674D602-R670 IonicContact OD1-CZ 3.9Å; D602-R670 IonicContact OD1-NE 3.26Å; D602-R670 PolarHBondContact OD1-NE 3.38Å; D602-R670 IonicContact OD1-NH2 2.95Å; D602-R670 PolarHBondContact OD1-NH2 3.36Å; D602-R670 WeakPolarHBondContact OD2-CB 3.39Å; D602-R670 VanDerWaalsContact OD2-CG 3.29Å; D602-R670 WeakPolarHBondContact OD2-CG 3.31Å; D602-R670 IonicContact OD2-CZ 2.7Å; D602-R670 IonicContact OD2-NE 2.87Å; D602-R670 PolarHBondContact OD2-NE 2.9Å; D602-R670 IonicContact OD2-NH2 3.76Å; L646-R670 HydrophobicContact CD1-CB 4.05Å; H664-R670 VanDerWaalsContact CD2-CZ 3.48Å; V665-R670 HydrophobicContact CG2-CB 4.44Å; V665-R670 HydrophobicContact CG2-CG 3.59Å; V665-R670 WeakPolarHBondContact O-CD 3.34Å; V665-R670 WeakPolarHBondContact O-CG 2.98Å; M666-R670 PolarHBondContact O-N 3.38Å; E667-R670 WeakPolarHBondContact O-CB 3.38Å; E667-R670 PolarHBondContact O-N 2.75Å; E667-R670 VanDerWaalsContact O-N 3.1Å; R670-A674 VanDerWaalsContact O-CB 3.28Å; R670-A674 WeakPolarHBondContact O-CB 3.48Å; R670-A674 PolarHBondContact O-N 2.88Å
671V98.1Very high94.8Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-70.7-59.2177.6176.30000111.5F63 Y64 F642 A643 L646 E667 G673 A674 L675F63-V671 HydrophobicContact CD1-CG1 4.39Å; Y64-V671 HydrophobicContact CD2-CB 4.01Å; Y64-V671 HydrophobicContact CD2-CG1 4.38Å; Y64-V671 HydrophobicContact CD2-CG2 4.01Å; F642-V671 HydrophobicContact CE1-CG1 4.43Å; A643-V671 HydrophobicContact CB-CG1 3.65Å; A643-V671 HydrophobicContact CB-CG2 4.32Å; L646-V671 HydrophobicContact CB-CG2 3.68Å; L646-V671 HydrophobicContact CD1-CG2 4.07Å; E667-V671 PolarHBondContact O-N 2.95Å; V671-G673 PolarHBondContact O-N 3.45Å; V671-A674 PolarHBondContact O-N 2.88Å; V671-L675 HydrophobicContact CG1-CD1 3.7Å; V671-L675 VanDerWaalsContact O-CG 3.28Å; V671-L675 WeakPolarHBondContact O-CG 3.26Å; V671-L675 PolarHBondContact O-N 3.32Å
672I97Very high95.5Very high14 Ų1426.2 Ų26.27%0.07213%0.126CC..Hα-helixtrans-61.1-48.4-175-69.4174.5000110.4R668 A674 L675 V676 M693R668-I672 HydrophobicContact CG-CD1 3.63Å; R668-I672 HydrophobicContact CG-CG1 4.41Å; R668-I672 VanDerWaalsContact O-CB 3.31Å; R668-I672 WeakPolarHBondContact O-CB 3.17Å; R668-I672 VanDerWaalsContact O-CG1 3.25Å; R668-I672 WeakPolarHBondContact O-CG1 3.49Å; R668-I672 PolarHBondContact O-N 3.09Å; I672-A674 VanDerWaalsContact C-N 3.29Å; I672-A674 PolarHBondContact O-N 2.94Å; I672-L675 PolarHBondContact O-N 3.44Å; I672-V676 HydrophobicContact CG2-CG1 3.81Å; I672-V676 VanDerWaalsContact O-CG1 3.25Å; I672-V676 WeakPolarHBondContact O-CG1 3.43Å; I672-V676 WeakPolarHBondContact O-CG2 3.4Å; I672-V676 PolarHBondContact O-N 3.5Å; I672-M693 HydrophobicContact CG1-SD 4.43Å; I672-M693 HydrophobicContact CG2-CE 4.46Å; I672-M693 HydrophobicContact CG2-SD 4.16Å
673G95.2Very high95.8Very high0 Ų029.6 Ų29.60%014%0.14CC..Hα-helixtrans-65.1-31.1-175.800000113.4Y580 Y669 V671 N677Y580-G673 WeakPolarHBondContact OH-CA 3.35Å; Y669-G673 WeakPolarHBondContact O-CA 3.35Å; Y669-G673 PolarHBondContact O-N 3.47Å; V671-G673 PolarHBondContact O-N 3.45Å; G673-N677 PolarHBondContact O-ND2 3.16Å
674A96.5Very high96Very high2 Ų227.5 Ų27.52%0.01713%0.126CC..Hα-helixtrans-71.5-46171.200000112.4I603 L606 F642 R670 V671 I672 N677I603-A674 HydrophobicContact CG1-CB 4.34Å; L606-A674 HydrophobicContact CD2-CB 3.83Å; F642-A674 HydrophobicContact CE1-CB 4.16Å; F642-A674 HydrophobicContact CZ-CB 3.93Å; R670-A674 VanDerWaalsContact O-CB 3.28Å; R670-A674 WeakPolarHBondContact O-CB 3.48Å; R670-A674 PolarHBondContact O-N 2.88Å; V671-A674 PolarHBondContact O-N 2.88Å; I672-A674 VanDerWaalsContact C-N 3.29Å; I672-A674 PolarHBondContact O-N 2.94Å; A674-N677 PolarHBondContact O-N 2.6Å
675L97.7Very high96.1Very high0 Ų026.5 Ų26.50%012%0.121CC..Hα-helixtrans-75.1-35.7-172.3-64.4176.5000114F63 L606 F639 F642 V671 I672 N677 S678 F681 M693F63-L675 HydrophobicContact CB-CD1 4.18Å; F63-L675 HydrophobicContact CD1-CD1 3.18Å; F63-L675 HydrophobicContact CE1-CD1 3.77Å; F63-L675 HydrophobicContact CG-CD1 3.86Å; L606-L675 HydrophobicContact CD2-CD2 3.73Å; F639-L675 HydrophobicContact CB-CD2 4.46Å; F639-L675 HydrophobicContact CD1-CD2 3.49Å; F639-L675 VanDerWaalsContact CD1-CD2 3.49Å; F639-L675 HydrophobicContact CE1-CD2 4.11Å; F639-L675 HydrophobicContact CG-CD2 4.28Å; F642-L675 HydrophobicContact CD1-CD1 4.45Å; F642-L675 HydrophobicContact CD1-CD2 4.02Å; F642-L675 HydrophobicContact CD1-CG 4.32Å; F642-L675 HydrophobicContact CE1-CD1 4.39Å; F642-L675 HydrophobicContact CE1-CD2 4.07Å; F642-L675 HydrophobicContact CE1-CG 4.02Å; V671-L675 HydrophobicContact CG1-CD1 3.7Å; V671-L675 VanDerWaalsContact O-CG 3.28Å; V671-L675 WeakPolarHBondContact O-CG 3.26Å; V671-L675 PolarHBondContact O-N 3.32Å; I672-L675 PolarHBondContact O-N 3.44Å; L675-N677 PolarHBondContact O-N 3.39Å; L675-N677 VanDerWaalsContact O-N 3.12Å; L675-S678 PolarHBondContact O-N 2.96Å; L675-F681 HydrophobicContact CB-CD1 4.01Å; L675-F681 HydrophobicContact CB-CD2 4.25Å; L675-F681 HydrophobicContact CB-CE1 4.33Å; L675-F681 HydrophobicContact CB-CE2 4.49Å; L675-F681 HydrophobicContact CB-CG 3.99Å; L675-F681 HydrophobicContact CD1-CD2 4.13Å; L675-F681 HydrophobicContact CD1-CE2 4.02Å; L675-F681 HydrophobicContact CD2-CB 4.06Å; L675-F681 HydrophobicContact CD2-CD2 3.73Å; L675-F681 HydrophobicContact CD2-CE2 4.44Å; L675-F681 HydrophobicContact CD2-CG 3.89Å; L675-F681 HydrophobicContact CG-CD2 4.26Å; L675-F681 HydrophobicContact CG-CG 4.39Å; L675-M693 HydrophobicContact CB-CE 3.72Å
676V96.2Very high96.1Very high5 Ų529.2 Ų29.23%0.0315%0.149CC..THydrogen-bonded Turntrans-59.3-27.6177.9-65.20000112.2I672 M693 K698I672-V676 HydrophobicContact CG2-CG1 3.81Å; I672-V676 VanDerWaalsContact O-CG1 3.25Å; I672-V676 WeakPolarHBondContact O-CG1 3.43Å; I672-V676 WeakPolarHBondContact O-CG2 3.4Å; I672-V676 PolarHBondContact O-N 3.5Å; V676-M693 HydrophobicContact CG1-CE 3.88Å; V676-M693 HydrophobicContact CG1-SD 4Å; V676-K698 PolarHBondContact O-NZ 3.45Å
677N94.3Very high96.3Very high20 Ų2028.3 Ų28.311%0.10715%0.145CC..THydrogen-bonded Turntrans-92.7-7.5179.8-63.5-56000113.5F576 Q579 G673 A674 L675 C699F576-N677 HydrophobicContact CE1-CB 4.38Å; Q579-N677 PolarHBondContact NE2-ND2 3.28Å; Q579-N677 PolarHBondContact NE2-OD1 3.45Å; Q579-N677 VanDerWaalsContact NE2-OD1 3.09Å; Q579-N677 PolarHBondContact OE1-ND2 3.35Å; G673-N677 PolarHBondContact O-ND2 3.16Å; A674-N677 PolarHBondContact O-N 2.6Å; L675-N677 PolarHBondContact O-N 3.39Å; L675-N677 VanDerWaalsContact O-N 3.12Å; N677-C699 WeakPolarHBondContact OD1-CB 3.44Å; N677-C699 PolarHBondContact OD1-N 3.27Å; N677-C699 PolarHBondContact OD1-O 3.05Å
678S96Very high96.3Very high14 Ų1430.8 Ų30.810%0.09816%0.162CC..  trans-87.5131.7176.1173.20000111.1L675 E680 F681 K698L675-S678 PolarHBondContact O-N 2.96Å; S678-E680 PolarHBondContact OG-N 3.49Å; S678-E680 PolarHBondContact OG-OE2 3.29Å; S678-F681 PolarHBondContact OG-N 3.06Å; S678-K698 PolarHBondContact O-NZ 3.38Å
679K95.5Very high96.3Very high132 Ų13232.1 Ų32.157%0.57418%0.179SC*.Hα-helixtrans-83.6-31.8172.5-67.7-179.9180-179.70110.9A682 H683 K698K679-A682 PolarHBondContact O-N 3.42Å; K679-H683 WeakPolarHBondContact O-CB 3.08Å; K679-H683 PolarHBondContact O-N 2.98Å; K679-K698 HydrophobicContact CG-CD 4.07Å
680E96.2Very high96.2Very high41 Ų4133.5 Ų33.519%0.19220%0.199CC..Hα-helixtrans-63.7-44.2178.2-55.780-175.700110.3Y610 Y611 F639 S678 H683 A684Y610-E680 HydrophobicContact CD1-CB 4.03Å; Y610-E680 HydrophobicContact CD1-CG 3.85Å; Y610-E680 HydrophobicContact CE1-CB 3.55Å; Y610-E680 HydrophobicContact CE1-CG 3.44Å; Y610-E680 VanDerWaalsContact CE1-CG 3.44Å; Y610-E680 HydrophobicContact CE2-CB 4.29Å; Y611-E680 PolarHBondContact OH-OE1 3.27Å; F639-E680 HydrophobicContact CZ-CB 3.94Å; S678-E680 PolarHBondContact OG-N 3.49Å; S678-E680 PolarHBondContact OG-OE2 3.29Å; E680-H683 PolarHBondContact O-N 2.88Å; E680-A684 WeakPolarHBondContact O-CB 2.99Å; E680-A684 PolarHBondContact O-N 3.48Å
681F97.7Very high96.1Very high0 Ų033.1 Ų33.10%020%0.199CC..Hα-helixtrans-59-51.6171.2166.2-97.6000112.1F63 F639 L675 S678 H683 A684 Y685 M693F63-F681 HydrophobicContact CB-CE2 4.33Å; F63-F681 HydrophobicContact CB-CZ 3.96Å; F63-F681 HydrophobicContact CD1-CE2 4.01Å; F63-F681 HydrophobicContact CD1-CZ 4.5Å; F63-F681 AromaticContact CD2-CE2 3.45Å; F63-F681 HydrophobicContact CD2-CE2 3.45Å; F63-F681 VanDerWaalsContact CD2-CE2 3.45Å; F63-F681 AromaticContact CD2-CZ 3.58Å; F63-F681 HydrophobicContact CD2-CZ 3.58Å; F63-F681 HydrophobicContact CE1-CE2 4.15Å; F63-F681 AromaticContact CE2-CE2 3.66Å; F63-F681 HydrophobicContact CE2-CE2 3.66Å; F63-F681 HydrophobicContact CE2-CZ 4.21Å; F63-F681 AromaticContact CG-CE2 3.63Å; F63-F681 HydrophobicContact CG-CE2 3.63Å; F63-F681 AromaticContact CG-CZ 3.74Å; F63-F681 HydrophobicContact CG-CZ 3.74Å; F63-F681 AromaticContact CZ-CE2 3.98Å; F63-F681 HydrophobicContact CZ-CE2 3.98Å; F639-F681 HydrophobicContact CB-CD2 4.04Å; F639-F681 HydrophobicContact CD1-CB 4.06Å; F639-F681 HydrophobicContact CD1-CD2 4.16Å; F639-F681 HydrophobicContact CD2-CB 4.32Å; F639-F681 HydrophobicContact CD2-CD2 4.18Å; F639-F681 HydrophobicContact CE1-CB 3.82Å; F639-F681 VanDerWaalsContact CE2-CA 3.45Å; F639-F681 HydrophobicContact CE2-CB 4.12Å; F639-F681 HydrophobicContact CG-CB 4.31Å; F639-F681 AromaticContact CG-CD2 3.86Å; F639-F681 HydrophobicContact CG-CD2 3.86Å; F639-F681 HydrophobicContact CZ-CB 3.86Å; F639-F681 VanDerWaalsContact CZ-N 3.31Å; L675-F681 HydrophobicContact CB-CD1 4.01Å; L675-F681 HydrophobicContact CB-CD2 4.25Å; L675-F681 HydrophobicContact CB-CE1 4.33Å; L675-F681 HydrophobicContact CB-CE2 4.49Å; L675-F681 HydrophobicContact CB-CG 3.99Å; L675-F681 HydrophobicContact CD1-CD2 4.13Å; L675-F681 HydrophobicContact CD1-CE2 4.02Å; L675-F681 HydrophobicContact CD2-CB 4.06Å; L675-F681 HydrophobicContact CD2-CD2 3.73Å; L675-F681 HydrophobicContact CD2-CE2 4.44Å; L675-F681 HydrophobicContact CD2-CG 3.89Å; L675-F681 HydrophobicContact CG-CD2 4.26Å; L675-F681 HydrophobicContact CG-CG 4.39Å; S678-F681 PolarHBondContact OG-N 3.06Å; F681-H683 PolarHBondContact O-N 3.49Å; F681-A684 PolarHBondContact O-N 2.97Å; F681-A684 VanDerWaalsContact O-N 3.12Å; F681-Y685 AromaticContact CD2-CD2 3.83Å; F681-Y685 HydrophobicContact CD2-CD2 3.83Å; F681-Y685 HydrophobicContact CD2-CE2 4.29Å; F681-Y685 AromaticContact CE2-CD2 3.54Å; F681-Y685 HydrophobicContact CE2-CD2 3.54Å; F681-Y685 HydrophobicContact CE2-CE2 4.02Å; F681-Y685 HydrophobicContact CE2-CG 4.14Å; F681-Y685 HydrophobicContact CZ-CD2 4.3Å; F681-Y685 PolarHBondContact O-N 3.46Å; F681-M693 HydrophobicContact CE1-CB 3.79Å; F681-M693 HydrophobicContact CE1-CE 4.12Å; F681-M693 HydrophobicContact CZ-CB 4.33Å; F681-M693 HydrophobicContact CZ-CE 4.28Å
682A97Very high96Very high7 Ų736.4 Ų36.46%0.05822%0.221CC..Hα-helixtrans-60.6-35.9-178.800000111.7K679 G686 C687 N694K679-A682 PolarHBondContact O-N 3.42Å; A682-G686 CarbonylContact O-C 3.57Å; A682-G686 WeakPolarHBondContact O-CA 3.19Å; A682-G686 PolarHBondContact O-N 3.23Å; A682-C687 HydrophobicContact CB-CB 4.42Å; A682-C687 PolarHBondContact O-N 3.39Å; A682-N694 HydrophobicContact CB-CB 3.87Å; A682-N694 VanDerWaalsContact CB-CG 3.44Å
683H95.5Very high95.9Very high135 Ų13535.9 Ų35.963%0.62522%0.218SC*.Hα-helixtrans-66.9-49172.7-178.768.2000112K679 E680 F681 Y685 G686K679-H683 WeakPolarHBondContact O-CB 3.08Å; K679-H683 PolarHBondContact O-N 2.98Å; E680-H683 PolarHBondContact O-N 2.88Å; F681-H683 PolarHBondContact O-N 3.49Å; H683-Y685 VanDerWaalsContact C-N 3.26Å; H683-Y685 PolarHBondContact O-N 3.49Å; H683-G686 PolarHBondContact O-N 3.07Å; H683-G686 VanDerWaalsContact O-N 3.13Å
684A95.8Very high96Very high1 Ų136.7 Ų36.71%0.00822%0.222CC..Hα-helixtrans-58.3-37.3-177.700000113L632 D635 Q636 F639 E680 F681L632-A684 WeakPolarHBondContact CD1-O 3.31Å; D635-A684 HydrophobicContact CB-CB 3.99Å; Q636-A684 HydrophobicContact CG-CB 4.34Å; Q636-A684 WeakPolarHBondContact CG-O 3.45Å; Q636-A684 PolarHBondContact NE2-O 2.88Å; F639-A684 HydrophobicContact CD2-CB 3.93Å; F639-A684 HydrophobicContact CE2-CB 3.86Å; E680-A684 WeakPolarHBondContact O-CB 2.99Å; E680-A684 PolarHBondContact O-N 3.48Å; F681-A684 PolarHBondContact O-N 2.97Å; F681-A684 VanDerWaalsContact O-N 3.12Å
685Y96.2Very high95.9Very high30 Ų3038.4 Ų38.412%0.11823%0.233CC..THydrogen-bonded Turntrans-99.63.1179.4-78-89.3000114.4A59 F63 F66 Q636 F639 F681 H683 C687A59-Y685 HydrophobicContact CB-CD1 3.64Å; A59-Y685 HydrophobicContact CB-CE1 4.16Å; A59-Y685 HydrophobicContact CB-CG 4.38Å; F63-Y685 AromaticContact CE2-CD1 3.92Å; F63-Y685 HydrophobicContact CE2-CD1 3.92Å; F63-Y685 HydrophobicContact CE2-CD2 4.02Å; F63-Y685 AromaticContact CE2-CE1 3.5Å; F63-Y685 HydrophobicContact CE2-CE1 3.5Å; F63-Y685 AromaticContact CE2-CE2 3.61Å; F63-Y685 HydrophobicContact CE2-CE2 3.61Å; F63-Y685 HydrophobicContact CE2-CG 4.16Å; F63-Y685 AromaticContact CE2-CZ 3.33Å; F63-Y685 HydrophobicContact CZ-CD2 4.47Å; F63-Y685 HydrophobicContact CZ-CE1 4.14Å; F63-Y685 AromaticContact CZ-CE2 3.71Å; F63-Y685 HydrophobicContact CZ-CE2 3.71Å; F63-Y685 AromaticContact CZ-CZ 3.51Å; F63-Y685 WeakPolarHBondContact CZ-OH 3.46Å; F66-Y685 AromaticContact CE1-CE1 3.97Å; F66-Y685 HydrophobicContact CE1-CE1 3.97Å; F66-Y685 HydrophobicContact CZ-CE1 4.4Å; Q636-Y685 HydrophobicContact CB-CE1 4.44Å; Q636-Y685 HydrophobicContact CB-CE2 4.06Å; Q636-Y685 HydrophobicContact CG-CD2 4.31Å; Q636-Y685 HydrophobicContact CG-CE1 4.22Å; Q636-Y685 HydrophobicContact CG-CE2 3.99Å; Q636-Y685 PolarHBondContact O-OH 2.89Å; F639-Y685 HydrophobicContact CB-CE2 4.04Å; F639-Y685 HydrophobicContact CD2-CE2 4.43Å; F681-Y685 AromaticContact CD2-CD2 3.83Å; F681-Y685 HydrophobicContact CD2-CD2 3.83Å; F681-Y685 HydrophobicContact CD2-CE2 4.29Å; F681-Y685 AromaticContact CE2-CD2 3.54Å; F681-Y685 HydrophobicContact CE2-CD2 3.54Å; F681-Y685 HydrophobicContact CE2-CE2 4.02Å; F681-Y685 HydrophobicContact CE2-CG 4.14Å; F681-Y685 HydrophobicContact CZ-CD2 4.3Å; F681-Y685 PolarHBondContact O-N 3.46Å; H683-Y685 VanDerWaalsContact C-N 3.26Å; H683-Y685 PolarHBondContact O-N 3.49Å; Y685-C687 VanDerWaalsContact C-N 3.28Å; Y685-C687 PolarHBondContact O-N 2.84Å
686G94.8Very high95.7Very high59 Ų5945.9 Ų45.961%0.60827%0.268SS*.THydrogen-bonded Turntrans61.433.7179.200000113.6A682 H683 P688A682-G686 CarbonylContact O-C 3.57Å; A682-G686 WeakPolarHBondContact O-CA 3.19Å; A682-G686 PolarHBondContact O-N 3.23Å; H683-G686 PolarHBondContact O-N 3.07Å; H683-G686 VanDerWaalsContact O-N 3.13Å; G686-P688 WeakPolarHBondContact O-CD 3.45Å
687C96.8Very high95.5Very high7 Ų751.4 Ų51.45%0.04730%0.302CS..PPolyproline II helixtrans-74.7120-176-61.40000111.2C60 A682 Y685 N694C60-C687 WeakPolarHBondContact CA-SG 3.46Å; C60-C687 HydrophobicContact CB-CB 3.65Å; C60-C687 WeakPolarHBondContact CB-SG 3.46Å; C60-C687 WeakPolarHBondContact SG-CA 3.31Å; C60-C687 WeakPolarHBondContact SG-CB 3.07Å; C60-C687 CovalentContact SG-SG 2.05Å; C60-C687 PolarHBondContact SG-SG 3.11Å; A682-C687 HydrophobicContact CB-CB 4.42Å; A682-C687 PolarHBondContact O-N 3.39Å; Y685-C687 VanDerWaalsContact C-N 3.28Å; Y685-C687 PolarHBondContact O-N 2.84Å; C687-N694 HydrophobicContact CB-CB 3.85Å; C687-N694 PolarHBondContact O-ND2 3.26Å
688P96.3Very high95.4Very high63 Ų6352.6 Ų52.641%0.40931%0.306SS..PPolyproline II helixtrans-65.6145.6-178.826.8-32.7000110.5I56 G686 G690 S691I56-P688 HydrophobicContact CD1-CG 4.45Å; I56-P688 HydrophobicContact CG1-CG 4.3Å; G686-P688 WeakPolarHBondContact O-CD 3.45Å; P688-G690 PolarHBondContact O-N 3.5Å; P688-S691 VanDerWaalsContact O-CB 3.29Å; P688-S691 WeakPolarHBondContact O-CB 3.19Å; P688-S691 PolarHBondContact O-N 2.98Å; P688-S691 PolarHBondContact O-OG 3.45Å
689V95.8Very high95Very high108 Ų10852.4 Ų52.466%0.65531%0.305SS*.THydrogen-bonded Turntrans-57.9133.4174.1175.30000109.1E696V689-E696 HydrophobicContact CG1-CB 4.38Å; V689-E696 HydrophobicContact CG1-CG 3.7Å
690G94.1Very high93.9Very high50 Ų5049 Ų4952%0.51531%0.308SS..THydrogen-bonded Turntrans93.4-12.7-174.800000114.1P688 N694P688-G690 PolarHBondContact O-N 3.5Å; G690-N694 PolarHBondContact N-O 3.27Å
691S95.5Very high92.2Very high7 Ų748.4 Ų48.45%0.04931%0.307CS..BIsolated β-bridgetrans-65.6155.1168.562.30000111.2P688 M693 N694P688-S691 VanDerWaalsContact O-CB 3.29Å; P688-S691 WeakPolarHBondContact O-CB 3.19Å; P688-S691 PolarHBondContact O-N 2.98Å; P688-S691 PolarHBondContact O-OG 3.45Å; S691-M693 PolarHBondContact O-N 3.24Å; S691-M693 VanDerWaalsContact O-N 3.15Å; S691-N694 CarbonylContact O-C 3.53Å; S691-N694 WeakPolarHBondContact O-CA 3.47Å; S691-N694 PolarHBondContact O-N 3.31Å; S691-N694 PolarHBondContact OG-N 3.49Å
692P95Very high89.6Confident70 Ų7058.4 Ų58.446%0.45534%0.344SS..THydrogen-bonded Turntrans-54.6-36.6-178.1-29.536.9000114.4H61H61-P692 WeakPolarHBondContact O-CB 3.45Å
693M96.5Very high89.2Confident3 Ų361 Ų612%0.01536%0.359CS..THydrogen-bonded Turntrans-89-0.4177.7-59.8-61.3-53.200114C60 F63 I672 L675 V676 F681 S691C60-M693 WeakPolarHBondContact O-CB 3.22Å; C60-M693 WeakPolarHBondContact O-CG 3.32Å; C60-M693 PolarHBondContact O-N 2.75Å; C60-M693 VanDerWaalsContact O-N 3.08Å; F63-M693 HydrophobicContact CB-CE 3.74Å; F63-M693 HydrophobicContact CB-CG 4.37Å; F63-M693 HydrophobicContact CB-SD 4.27Å; I672-M693 HydrophobicContact CG1-SD 4.43Å; I672-M693 HydrophobicContact CG2-CE 4.46Å; I672-M693 HydrophobicContact CG2-SD 4.16Å; L675-M693 HydrophobicContact CB-CE 3.72Å; V676-M693 HydrophobicContact CG1-CE 3.88Å; V676-M693 HydrophobicContact CG1-SD 4Å; F681-M693 HydrophobicContact CE1-CB 3.79Å; F681-M693 HydrophobicContact CE1-CE 4.12Å; F681-M693 HydrophobicContact CZ-CB 4.33Å; F681-M693 HydrophobicContact CZ-CE 4.28Å; S691-M693 PolarHBondContact O-N 3.24Å; S691-M693 VanDerWaalsContact O-N 3.15Å
694N96.8Very high88.9Confident16 Ų1657.1 Ų57.19%0.08635%0.345CS..BIsolated β-bridgetrans-140.867.7172.2-170.326.9000111.7A682 C687 G690 S691 K698A682-N694 HydrophobicContact CB-CB 3.87Å; A682-N694 VanDerWaalsContact CB-CG 3.44Å; C687-N694 HydrophobicContact CB-CB 3.85Å; C687-N694 PolarHBondContact O-ND2 3.26Å; G690-N694 PolarHBondContact N-O 3.27Å; S691-N694 CarbonylContact O-C 3.53Å; S691-N694 WeakPolarHBondContact O-CA 3.47Å; S691-N694 PolarHBondContact O-N 3.31Å; S691-N694 PolarHBondContact OG-N 3.49Å; N694-K698 WeakPolarHBondContact OD1-CE 3.15Å; N694-K698 PolarHBondContact OD1-NZ 3.25Å
695P95Very high88.5Confident38 Ų3860.2 Ų60.225%0.24736%0.363CS..  trans-63.4151.4179.828-35.6000111.5T697 K698P695-T697 VanDerWaalsContact C-N 3.29Å; P695-T697 PolarHBondContact O-N 3.4Å; P695-K698 HydrophobicContact CG-CG 4.36Å
696E93.1Very high88Confident158 Ų15862 Ų6274%0.73838%0.378SS*.SBendtrans-57-43177.3-70.5-179.5-179.400112.3V689V689-E696 HydrophobicContact CG1-CB 4.38Å; V689-E696 HydrophobicContact CG1-CG 3.7Å
697T91.1Very high87.6Confident121 Ų12162.2 Ų62.274%0.74236%0.363SS*.SBendtrans-104.9111.4176.8-570000109.4P695P695-T697 VanDerWaalsContact C-N 3.29Å; P695-T697 PolarHBondContact O-N 3.4Å
698K92.3Very high87Confident44 Ų4465.9 Ų65.919%0.19138%0.384CS..  trans-96.4143172.1-63.8178.2-177.5-92.70110.1V676 S678 K679 N694 P695V676-K698 PolarHBondContact O-NZ 3.45Å; S678-K698 PolarHBondContact O-NZ 3.38Å; K679-K698 HydrophobicContact CG-CD 4.07Å; N694-K698 WeakPolarHBondContact OD1-CE 3.15Å; N694-K698 PolarHBondContact OD1-NZ 3.25Å; P695-K698 HydrophobicContact CG-CG 4.36Å
699C88.8Confident86.3Confident11 Ų1166.1 Ų66.17%0.07438%0.383CS..  trans-71131.5164-710000108C575 F576 N677C575-C699 HydrophobicContact CB-CB 3.85Å; C575-C699 WeakPolarHBondContact CB-SG 3.32Å; C575-C699 PolarHBondContact O-SG 2.87Å; C575-C699 VanDerWaalsContact O-SG 3.34Å; C575-C699 VanDerWaalsContact SG-CA 3.55Å; C575-C699 WeakPolarHBondContact SG-CB 3.36Å; C575-C699 CovalentContact SG-SG 2.05Å; C575-C699 PolarHBondContact SG-SG 3.34Å; F576-C699 HydrophobicContact CD1-CB 3.48Å; F576-C699 VanDerWaalsContact CD1-CB 3.48Å; F576-C699 HydrophobicContact CE1-CB 3.27Å; F576-C699 HydrophobicContact CG-CB 4.37Å; F576-C699 HydrophobicContact CZ-CB 4.03Å; N677-C699 WeakPolarHBondContact OD1-CB 3.44Å; N677-C699 PolarHBondContact OD1-N 3.27Å; N677-C699 PolarHBondContact OD1-O 3.05Å
700G72.6Confident85.6Confident61 Ų6162.8 Ų62.863%0.62936%0.362SS*.  trans-155.5130.4176.600000109.7
701V59.3Low84.9Confident28 Ų2863.9 Ų63.917%0.1735%0.349CS..  trans-90101.6165.6-1420000104.8W413 K572 T573 F576W413-V701 HydrophobicContact CZ2-CG1 4.11Å; K572-V701 HydrophobicContact CB-CG1 3.79Å; T573-V701 HydrophobicContact CG2-CG2 3.93Å; F576-V701 HydrophobicContact CE2-CG2 3.83Å; F576-V701 HydrophobicContact CZ-CG2 4.42Å
702R42.7Very low83.9Confident210 Ų21069.1 Ų69.179%0.79238%0.376SS*.  trans-730174.9-79.6-168.7-169.2-177.35.9109.8

Retrieved 702 of 702 residues in 201.8 ms (Link to these results)

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