A0A077ZCB4_TRITR Loading...

L-serine ammonia-lyase

AlphaFold DB , UniProt , Accession A0A077ZCB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 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
1M30.8Very low32.8Very low251 Ų251136.6 Ų136.6100%1.23676%0.758SS**  0840-90163.3147.900107.5
2G28.4Very low33.4Very low74 Ų74133.1 Ų133.176%0.76375%0.75SS**  trans-96.5123.6-178.400000109.8L4G2-L4 PolarHBondContact O-N 3.28Å
3L28.9Very low34.2Very low153 Ų153132.5 Ų132.580%0.80176%0.757SS**  trans-59.9121.9174.9-92.388.3000110L5L3-L5 PolarHBondContact O-N 3.12Å
4L26.5Very low35.6Very low173 Ų173126.1 Ų126.191%0.90672%0.719SS**  trans-65.7109.2158.5-83.6134.7000108.3G2G2-L4 PolarHBondContact O-N 3.28Å
5L31.7Very low37.1Very low139 Ų139126.5 Ų126.573%0.72871%0.711SS**  trans-109.3116168.3-77.8168.5000109.5L3L3-L5 PolarHBondContact O-N 3.12Å
6G30Very low38.7Very low72 Ų72125.3 Ų125.374%0.74271%0.711SS**  trans72.984.5153.300000117.2Y8G6-Y8 PolarHBondContact O-N 3.27Å
7T30.1Very low40.9Very low134 Ų134121.5 Ų121.582%0.82269%0.694SS**  trans-59.3126.3155.947.10000109.8R9T7-R9 PolarHBondContact O-N 2.85Å
8Y36.1Very low43.2Very low144 Ų144117.2 Ų117.257%0.56567%0.668SS**  trans-28117.2163.9-179.1-103.2000112.5G6 P10G6-Y8 PolarHBondContact O-N 3.27Å; Y8-P10 HydrophobicContact CD1-CG 4.31Å; Y8-P10 HydrophobicContact CE1-CB 4.35Å; Y8-P10 HydrophobicContact CE1-CG 4.21Å
9R37.9Very low45.6Very low222 Ų222113.2 Ų113.284%0.83864%0.642SS**  trans-91.4114.8167.3-81.2-171.1177.7-172.20108T7 S11T7-R9 PolarHBondContact O-N 2.85Å; R9-S11 PolarHBondContact O-N 3.33Å
10P38.6Very low47.7Very low91 Ų91114.5 Ų114.559%0.59164%0.64SS**  trans-58.6132.3173-1829.8000110Y8 S12Y8-P10 HydrophobicContact CD1-CG 4.31Å; Y8-P10 HydrophobicContact CE1-CB 4.35Å; Y8-P10 HydrophobicContact CE1-CG 4.21Å; P10-S12 PolarHBondContact O-N 3.19Å
11S42.3Very low49.7Very low50 Ų50113 Ų11335%0.3563%0.628SS.*  trans-71.971.4175.447.80000111.2R9R9-S11 PolarHBondContact O-N 3.33Å
12S39.5Very low52.5Low94 Ų94101 Ų10166%0.65757%0.569SS**SBendtrans-11599.3163.562.30000108.3P10P10-S12 PolarHBondContact O-N 3.19Å
13C44Very low55.5Low125 Ų12599.7 Ų99.785%0.84554%0.543SS*.  trans64.299-176.2-42.60000112.6E15C13-E15 PolarHBondContact O-N 3.05Å
14M53.9Low58.4Low44 Ų4498.3 Ų98.322%0.21754%0.537CS..  trans-55.4131.4161.6-76.1-153.2-56.600107.6L18 R221M14-L18 HydrophobicContact CB-CD2 4.4Å; M14-L18 HydrophobicContact CG-CD2 3.98Å; M14-L18 HydrophobicContact SD-CB 4.35Å; M14-L18 HydrophobicContact SD-CD2 3.3Å; M14-L18 WeakPolarHBondContact SD-CD2 2.87Å; M14-L18 HydrophobicContact SD-CG 3.77Å; M14-R221 VanDerWaalsContact CE-C 3.49Å; M14-R221 VanDerWaalsContact CE-CA 3.48Å; M14-R221 HydrophobicContact CE-CB 3.62Å; M14-R221 HydrophobicContact CE-CG 4.37Å; M14-R221 WeakPolarHBondContact CE-O 3.46Å; M14-R221 HydrophobicContact SD-CB 3.86Å; M14-R221 WeakPolarHBondContact SD-CD 3.45Å; M14-R221 HydrophobicContact SD-CG 3.99Å
15E58.7Low61.4Low131 Ų13193 Ų9361%0.61251%0.508SS*.  trans-55.3134.9170.6-73.3-162.4162.600108C13 S17 L18C13-E15 PolarHBondContact O-N 3.05Å; E15-S17 WeakPolarHBondContact CB-OG 3.47Å; E15-S17 PolarHBondContact O-N 2.96Å; E15-S17 PolarHBondContact OE2-OG 3.08Å; E15-L18 WeakPolarHBondContact O-CB 3.39Å; E15-L18 PolarHBondContact O-N 3.13Å
16P61.2Low64.3Low108 Ų10887.5 Ų87.570%0.70148%0.477SS*.Hα-helixtrans-51.7-19.9175.1-29.335.3000113.7
17S77.5Confident67.4Low60 Ų6084.3 Ų84.342%0.4244%0.443SS..Hα-helixtrans-60.1-39.2170.659.80000112.9E15 Q21E15-S17 WeakPolarHBondContact CB-OG 3.47Å; E15-S17 PolarHBondContact O-N 2.96Å; E15-S17 PolarHBondContact OE2-OG 3.08Å; S17-Q21 VanDerWaalsContact O-CB 3.28Å; S17-Q21 WeakPolarHBondContact O-CB 3.33Å; S17-Q21 PolarHBondContact O-N 3.15Å
18L82.2Confident70.5Confident44 Ų4479.8 Ų79.823%0.2342%0.415CS..Hα-helixtrans-71.1-46-174.4-178.153.8000112M14 E15 K20 Q21 L22M14-L18 HydrophobicContact CB-CD2 4.4Å; M14-L18 HydrophobicContact CG-CD2 3.98Å; M14-L18 HydrophobicContact SD-CB 4.35Å; M14-L18 HydrophobicContact SD-CD2 3.3Å; M14-L18 WeakPolarHBondContact SD-CD2 2.87Å; M14-L18 HydrophobicContact SD-CG 3.77Å; E15-L18 WeakPolarHBondContact O-CB 3.39Å; E15-L18 PolarHBondContact O-N 3.13Å; L18-K20 PolarHBondContact O-N 2.75Å; L18-Q21 WeakPolarHBondContact O-CB 3.46Å; L18-Q21 PolarHBondContact O-N 2.88Å; L18-L22 HydrophobicContact CD1-CD1 4.16Å; L18-L22 HydrophobicContact CD1-CD2 4.35Å; L18-L22 HydrophobicContact CD1-CG 4Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 HydrophobicContact CG-CG 4.39Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.2Å
19K87.4Confident73.3Confident41 Ų4173.6 Ų73.618%0.17839%0.391CS..Hα-helixtrans-56.4-51175.8177.4-178.2-176.6173.70111.1Q21 L22 E23 L222 E224K19-Q21 VanDerWaalsContact C-N 3.27Å; K19-Q21 PolarHBondContact O-N 3.33Å; K19-L22 PolarHBondContact O-N 3.37Å; K19-L22 VanDerWaalsContact O-N 3.16Å; K19-E23 WeakPolarHBondContact CE-OE1 3.45Å; K19-E23 HydrophobicContact CG-CG 4.39Å; K19-E23 WeakPolarHBondContact O-CG 3.47Å; K19-E23 PolarHBondContact O-N 3.21Å; K19-L222 WeakPolarHBondContact CE-O 3.27Å; K19-L222 PolarHBondContact NZ-O 3.42Å; K19-E224 HydrophobicContact CD-CG 3.92Å; K19-E224 WeakPolarHBondContact CD-OE2 3.23Å; K19-E224 IonicContact NZ-OE2 2.75Å; K19-E224 PolarHBondContact NZ-OE2 2.94Å
20K88.6Confident76.2Confident139 Ų13968 Ų6860%0.60438%0.375SS*.Hα-helixtrans-62-37.3179.8-172.3176.3-178.11790111.9L18 N24L18-K20 PolarHBondContact O-N 2.75Å; K20-N24 WeakPolarHBondContact O-CB 3.49Å; K20-N24 PolarHBondContact O-N 2.91Å; K20-N24 VanDerWaalsContact O-N 3.1Å; K20-N24 PolarHBondContact O-ND2 3.44Å; K20-N24 VanDerWaalsContact O-ND2 3.08Å
21Q88.6Confident78.9Confident83 Ų8366.5 Ų66.539%0.38836%0.36SS..Hα-helixtrans-62.2-49.3173.7-177.4-175.4-17.400111S17 L18 K19 E23 N24 E25S17-Q21 VanDerWaalsContact O-CB 3.28Å; S17-Q21 WeakPolarHBondContact O-CB 3.33Å; S17-Q21 PolarHBondContact O-N 3.15Å; L18-Q21 WeakPolarHBondContact O-CB 3.46Å; L18-Q21 PolarHBondContact O-N 2.88Å; K19-Q21 VanDerWaalsContact C-N 3.27Å; K19-Q21 PolarHBondContact O-N 3.33Å; Q21-E23 VanDerWaalsContact C-N 3.35Å; Q21-E23 PolarHBondContact O-N 3.46Å; Q21-N24 PolarHBondContact O-N 3.2Å; Q21-N24 VanDerWaalsContact O-N 3.16Å; Q21-E25 HydrophobicContact CG-CG 4.5Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.47Å; Q21-E25 PolarHBondContact NE2-OE1 3.18Å; Q21-E25 WeakPolarHBondContact O-CG 3.29Å; Q21-E25 PolarHBondContact O-N 2.94Å
22L90.4Very high81.6Confident0 Ų064.1 Ų64.10%034%0.343CS..Hα-helixtrans-61.6-40.4178.8-66.4173.3000112.3L18 K19 N24 E25 W26 L218 R221 L222 D282L18-L22 HydrophobicContact CD1-CD1 4.16Å; L18-L22 HydrophobicContact CD1-CD2 4.35Å; L18-L22 HydrophobicContact CD1-CG 4Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 HydrophobicContact CG-CG 4.39Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.2Å; K19-L22 PolarHBondContact O-N 3.37Å; K19-L22 VanDerWaalsContact O-N 3.16Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.27Å; L22-E25 PolarHBondContact O-N 3.05Å; L22-W26 WeakPolarHBondContact O-CB 3.31Å; L22-W26 PolarHBondContact O-N 3.25Å; L22-L218 HydrophobicContact CB-CD1 3.95Å; L22-L218 HydrophobicContact CD1-CD1 4.02Å; L22-L218 HydrophobicContact CD2-CD1 4.16Å; L22-L218 HydrophobicContact CG-CD1 4.26Å; L22-R221 HydrophobicContact CD1-CB 3.58Å; L22-R221 HydrophobicContact CD1-CG 4.26Å; L22-L222 HydrophobicContact CB-CD2 4.09Å; L22-D282 HydrophobicContact CD2-CB 4.24Å
23E91.4Very high84.4Confident46 Ų4665.8 Ų65.822%0.21534%0.335CS..Hα-helixtrans-65-33.6175.8-71-179.5151.300112.6K19 Q21 T28 I29 L222K19-E23 WeakPolarHBondContact CE-OE1 3.45Å; K19-E23 HydrophobicContact CG-CG 4.39Å; K19-E23 WeakPolarHBondContact O-CG 3.47Å; K19-E23 PolarHBondContact O-N 3.21Å; Q21-E23 VanDerWaalsContact C-N 3.35Å; Q21-E23 PolarHBondContact O-N 3.46Å; E23-T28 HydrophobicContact CB-CG2 4.36Å; E23-I29 WeakPolarHBondContact OE1-CG2 3.42Å; E23-L222 HydrophobicContact CG-CD2 3.43Å; E23-L222 VanDerWaalsContact CG-CD2 3.43Å
24N90.1Very high86.9Confident125 Ų12562.7 Ų62.767%0.66832%0.315SS*.Hα-helixtrans-75.4-31.6176-69.6-28.2000112.7K20 Q21 L22K20-N24 WeakPolarHBondContact O-CB 3.49Å; K20-N24 PolarHBondContact O-N 2.91Å; K20-N24 VanDerWaalsContact O-N 3.1Å; K20-N24 PolarHBondContact O-ND2 3.44Å; K20-N24 VanDerWaalsContact O-ND2 3.08Å; Q21-N24 PolarHBondContact O-N 3.2Å; Q21-N24 VanDerWaalsContact O-N 3.16Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.27Å
25E88.8Confident89Confident62 Ų6260.6 Ų60.629%0.2931%0.305SS..Hα-helixtrans-89.8-32-175.1-70.2-170.9-145.900113.4Q21 L22 R278Q21-E25 HydrophobicContact CG-CG 4.5Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.47Å; Q21-E25 PolarHBondContact NE2-OE1 3.18Å; Q21-E25 WeakPolarHBondContact O-CG 3.29Å; Q21-E25 PolarHBondContact O-N 2.94Å; L22-E25 PolarHBondContact O-N 3.05Å; E25-R278 IonicContact OE2-CZ 3.14Å; E25-R278 IonicContact OE2-NH1 2.74Å; E25-R278 IonicContact OE2-NH2 3.5Å; E25-R278 PolarHBondContact OE2-NH2 3.32Å
26W93.2Very high90.9Very high22 Ų2254.8 Ų54.88%0.08328%0.278CS..SBendtrans-121.4-101.3-166.6-50.7122.2000113.8L22 L177 L218 N275 R278 I279L22-W26 WeakPolarHBondContact O-CB 3.31Å; L22-W26 PolarHBondContact O-N 3.25Å; W26-L177 HydrophobicContact CE3-CD1 4.1Å; W26-L177 HydrophobicContact CE3-CD2 3.7Å; W26-L177 HydrophobicContact CZ3-CD2 4.31Å; W26-L218 HydrophobicContact CB-CD2 3.6Å; W26-L218 HydrophobicContact CG-CD2 3.96Å; W26-N275 HydrophobicContact CE3-CB 4.49Å; W26-N275 HydrophobicContact CH2-CB 4.43Å; W26-N275 HydrophobicContact CZ3-CB 3.78Å; W26-N275 WeakPolarHBondContact CZ3-OD1 3.21Å; W26-R278 HydrophobicContact CH2-CB 3.59Å; W26-R278 HydrophobicContact CH2-CG 4.42Å; W26-R278 HydrophobicContact CZ2-CB 3.62Å; W26-I279 HydrophobicContact CD2-CD1 3.91Å; W26-I279 HydrophobicContact CD2-CG1 3.58Å; W26-I279 VanDerWaalsContact CE2-CG1 3.47Å; W26-I279 HydrophobicContact CE3-CD1 4.03Å; W26-I279 HydrophobicContact CE3-CG1 4.03Å; W26-I279 HydrophobicContact CG-CD1 4.21Å; W26-I279 HydrophobicContact CG-CG1 3.98Å; W26-I279 HydrophobicContact CH2-CG1 4.24Å; W26-I279 HydrophobicContact CZ2-CG1 3.83Å; W26-I279 HydrophobicContact CZ3-CG1 4.34Å
27F94.4Very high92.7Very high6 Ų653.1 Ų53.13%0.02627%0.269CS..  trans-135.2152.317257.2-102.1000109.1E31 L32 V180 C181 L218 L222F27-E31 WeakPolarHBondContact CA-OE2 3.18Å; F27-E31 HydrophobicContact CB-CB 4.29Å; F27-L32 HydrophobicContact CD2-CB 4.2Å; F27-L32 HydrophobicContact CE2-CB 4.01Å; F27-L32 HydrophobicContact CE2-CD1 4.09Å; F27-L32 HydrophobicContact CE2-CD2 4.45Å; F27-L32 HydrophobicContact CE2-CG 4.39Å; F27-V180 HydrophobicContact CE1-CB 4.42Å; F27-V180 HydrophobicContact CE1-CG1 4.05Å; F27-C181 HydrophobicContact CB-CB 4.43Å; F27-C181 HydrophobicContact CD1-CB 3.52Å; F27-C181 HydrophobicContact CD2-CB 4.11Å; F27-C181 HydrophobicContact CE1-CB 3.65Å; F27-C181 HydrophobicContact CE2-CB 4.23Å; F27-C181 HydrophobicContact CG-CB 3.77Å; F27-C181 HydrophobicContact CZ-CB 4.03Å; F27-L218 HydrophobicContact CD1-CD2 3.86Å; F27-L218 HydrophobicContact CE1-CD2 3.32Å; F27-L218 HydrophobicContact CE1-CG 4.12Å; F27-L218 HydrophobicContact CE2-CD2 4.18Å; F27-L218 HydrophobicContact CE2-CG 4.21Å; F27-L218 HydrophobicContact CG-CD2 4.49Å; F27-L218 HydrophobicContact CZ-CB 4.23Å; F27-L218 HydrophobicContact CZ-CD2 3.49Å; F27-L218 VanDerWaalsContact CZ-CD2 3.49Å; F27-L218 HydrophobicContact CZ-CG 3.74Å; F27-L222 HydrophobicContact CD2-CD1 3.64Å; F27-L222 HydrophobicContact CE2-CD1 3.42Å; F27-L222 VanDerWaalsContact CE2-CD1 3.42Å; F27-L222 HydrophobicContact CZ-CD1 4.33Å; F27-L222 VanDerWaalsContact O-CD1 3.27Å; F27-L222 WeakPolarHBondContact O-CD1 3.47Å
28T95.9Very high93.6Very high39 Ų3951.4 Ų51.424%0.23926%0.258CS..  trans-80.7162.6-178.159.30000112.7E23 E30 E31 L32E23-T28 HydrophobicContact CB-CG2 4.36Å; T28-E30 PolarHBondContact O-N 2.88Å; T28-E31 PolarHBondContact N-OE2 3.16Å; T28-E31 PolarHBondContact O-N 3.2Å; T28-E31 WeakPolarHBondContact OG1-CB 3.31Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.19Å; T28-E31 PolarHBondContact OG1-N 3.31Å; T28-E31 VanDerWaalsContact OG1-N 3.08Å; T28-E31 PolarHBondContact OG1-OE2 3.47Å; T28-L32 PolarHBondContact O-N 3.49Å
29I95.7Very high94.4Very high13 Ų1349.3 Ų49.37%0.06725%0.247CC..Hα-helixtrans-60.9-33.1169.9-170.7175.4000111.8E23 L32 R33 L223E23-I29 WeakPolarHBondContact OE1-CG2 3.42Å; I29-L32 PolarHBondContact O-N 3.34Å; I29-R33 WeakPolarHBondContact O-CG 3.11Å; I29-R33 PolarHBondContact O-N 3.14Å; I29-L223 HydrophobicContact CD1-CD2 3.9Å; I29-L223 HydrophobicContact CG1-CD2 4.23Å
30E96.7Very high94.9Very high106 Ų10652.1 Ų52.150%0.49526%0.259SS..Hα-helixtrans-65.2-40.8174.4-70.268.9-148.300111.8T28 R33 S34T28-E30 PolarHBondContact O-N 2.88Å; E30-R33 PolarHBondContact O-N 3.01Å; E30-S34 WeakPolarHBondContact O-CB 3.5Å; E30-S34 PolarHBondContact O-N 3.12Å; E30-S34 PolarHBondContact O-OG 2.96Å
31E97.4Very high95.3Very high58 Ų5849.5 Ų49.527%0.27126%0.263SS..Hα-helixtrans-66.1-40.9174.6-76.7176.5120.200111.9F27 T28 R33 S34 S35 K89F27-E31 WeakPolarHBondContact CA-OE2 3.18Å; F27-E31 HydrophobicContact CB-CB 4.29Å; T28-E31 PolarHBondContact N-OE2 3.16Å; T28-E31 PolarHBondContact O-N 3.2Å; T28-E31 WeakPolarHBondContact OG1-CB 3.31Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.19Å; T28-E31 PolarHBondContact OG1-N 3.31Å; T28-E31 VanDerWaalsContact OG1-N 3.08Å; T28-E31 PolarHBondContact OG1-OE2 3.47Å; E31-R33 PolarHBondContact O-N 3.26Å; E31-S34 PolarHBondContact O-N 3.18Å; E31-S35 VanDerWaalsContact O-CB 3.25Å; E31-S35 WeakPolarHBondContact O-CB 3.45Å; E31-S35 PolarHBondContact O-N 2.71Å; E31-K89 IonicContact OE1-NZ 3.33Å; E31-K89 PolarHBondContact OE1-NZ 3.02Å
32L97.8Very high95.7Very high0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-60.6-44.1174.5-179.163000111.7F27 T28 I29 S35 F36 C181 T185 M188 A219 L223F27-L32 HydrophobicContact CD2-CB 4.2Å; F27-L32 HydrophobicContact CE2-CB 4.01Å; F27-L32 HydrophobicContact CE2-CD1 4.09Å; F27-L32 HydrophobicContact CE2-CD2 4.45Å; F27-L32 HydrophobicContact CE2-CG 4.39Å; T28-L32 PolarHBondContact O-N 3.49Å; I29-L32 PolarHBondContact O-N 3.34Å; L32-S35 WeakPolarHBondContact O-CB 3.41Å; L32-S35 PolarHBondContact O-N 3.01Å; L32-F36 PolarHBondContact O-N 3.25Å; L32-C181 WeakPolarHBondContact CD1-O 3.38Å; L32-T185 HydrophobicContact CD1-CG2 4.09Å; L32-M188 HydrophobicContact CD1-SD 4.25Å; L32-M188 HydrophobicContact CD2-SD 4.15Å; L32-M188 HydrophobicContact CG-SD 3.7Å; L32-A219 HydrophobicContact CD1-CB 4.46Å; L32-A219 HydrophobicContact CD2-CB 3.68Å; L32-L223 HydrophobicContact CD2-CD1 4.27Å; L32-L223 HydrophobicContact CD2-CG 4.41Å
33R97.8Very high95.9Very high129 Ų12951 Ų5149%0.48728%0.279SS..Hα-helixtrans-65.7-38.2175.4-73.4171.2174.1165.4-0.8112.7I29 E30 E31 F36 S37 M188I29-R33 WeakPolarHBondContact O-CG 3.11Å; I29-R33 PolarHBondContact O-N 3.14Å; E30-R33 PolarHBondContact O-N 3.01Å; E31-R33 PolarHBondContact O-N 3.26Å; R33-F36 PolarHBondContact O-N 3.39Å; R33-S37 PolarHBondContact O-N 3.07Å; R33-S37 PolarHBondContact O-OG 3.37Å; R33-M188 HydrophobicContact CG-CE 3.88Å
34S98Very high96.1Very high61 Ų6149.4 Ų49.443%0.42727%0.272SS..Hα-helixtrans-66.7-44.5176.9-60.20000111E30 E31 F36 S37 A38E30-S34 WeakPolarHBondContact O-CB 3.5Å; E30-S34 PolarHBondContact O-N 3.12Å; E30-S34 PolarHBondContact O-OG 2.96Å; E31-S34 PolarHBondContact O-N 3.18Å; S34-F36 PolarHBondContact O-N 3.31Å; S34-S37 PolarHBondContact O-N 3.31Å; S34-A38 PolarHBondContact O-N 3.06Å
35S98.1Very high96.4Very high0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-54.6-49.6172.4169.50000111.3E31 L32 S37 A38 I39 G182 T185E31-S35 VanDerWaalsContact O-CB 3.25Å; E31-S35 WeakPolarHBondContact O-CB 3.45Å; E31-S35 PolarHBondContact O-N 2.71Å; L32-S35 WeakPolarHBondContact O-CB 3.41Å; L32-S35 PolarHBondContact O-N 3.01Å; S35-S37 VanDerWaalsContact C-N 3.32Å; S35-S37 PolarHBondContact O-N 3.39Å; S35-A38 PolarHBondContact O-N 3.39Å; S35-I39 WeakPolarHBondContact O-CB 3.25Å; S35-I39 VanDerWaalsContact O-CG1 3.29Å; S35-I39 WeakPolarHBondContact O-CG1 3.39Å; S35-I39 PolarHBondContact O-N 3.47Å; S35-G182 WeakPolarHBondContact OG-CA 3.27Å; S35-T185 WeakPolarHBondContact OG-CG2 3.37Å
36F98.2Very high96.8Very high9 Ų948.6 Ų48.64%0.03926%0.257CS..Hα-helixtrans-63.7-37.7179.1-171.8-149.7000112.8L32 R33 S34 K40 T185 M188 E189 D192L32-F36 PolarHBondContact O-N 3.25Å; R33-F36 PolarHBondContact O-N 3.39Å; S34-F36 PolarHBondContact O-N 3.31Å; F36-K40 HydrophobicContact CD2-CD 4.15Å; F36-K40 HydrophobicContact CD2-CG 3.99Å; F36-K40 HydrophobicContact CE1-CD 4.23Å; F36-K40 HydrophobicContact CE2-CD 3.7Å; F36-K40 HydrophobicContact CE2-CG 3.75Å; F36-K40 HydrophobicContact CZ-CD 3.75Å; F36-K40 HydrophobicContact CZ-CG 4.32Å; F36-K40 WeakPolarHBondContact O-CB 3.33Å; F36-K40 WeakPolarHBondContact O-CG 3.28Å; F36-K40 PolarHBondContact O-N 3.44Å; F36-T185 HydrophobicContact CB-CG2 3.72Å; F36-T185 HydrophobicContact CD2-CG2 4.39Å; F36-T185 HydrophobicContact CG-CG2 4.38Å; F36-M188 HydrophobicContact CB-CE 4.29Å; F36-M188 HydrophobicContact CB-SD 3.85Å; F36-M188 HydrophobicContact CD1-CB 3.81Å; F36-M188 HydrophobicContact CD1-CE 3.66Å; F36-M188 HydrophobicContact CD1-SD 3.89Å; F36-M188 HydrophobicContact CE1-CB 3.79Å; F36-M188 HydrophobicContact CE1-CE 4.43Å; F36-M188 HydrophobicContact CG-CB 4.35Å; F36-M188 HydrophobicContact CG-CE 4.39Å; F36-M188 HydrophobicContact CG-SD 4.12Å; F36-M188 HydrophobicContact CZ-CB 4.33Å; F36-E189 HydrophobicContact CE2-CB 4.06Å; F36-E189 HydrophobicContact CZ-CB 3.97Å; F36-D192 WeakPolarHBondContact CE1-OD2 2.87Å
37S98Very high97Very high73 Ų7354.2 Ų54.251%0.5128%0.279SS..Hα-helixtrans-65.2-45175.5-57.40000111.8R33 S34 S35 K40 A41R33-S37 PolarHBondContact O-N 3.07Å; R33-S37 PolarHBondContact O-OG 3.37Å; S34-S37 PolarHBondContact O-N 3.31Å; S35-S37 VanDerWaalsContact C-N 3.32Å; S35-S37 PolarHBondContact O-N 3.39Å; S37-K40 PolarHBondContact O-N 2.9Å; S37-A41 WeakPolarHBondContact O-CB 3.42Å; S37-A41 PolarHBondContact O-N 2.93Å
38A97.6Very high97.1Very high23 Ų2354 Ų5419%0.1928%0.278CS..Hα-helixtrans-63.5-42.9177.200000112.1S34 S35 A41 N42 W85 E88S34-A38 PolarHBondContact O-N 3.06Å; S35-A38 PolarHBondContact O-N 3.39Å; A38-A41 PolarHBondContact O-N 3.08Å; A38-N42 PolarHBondContact O-N 3.1Å; A38-W85 HydrophobicContact CB-CE3 4.01Å; A38-W85 HydrophobicContact CB-CZ3 4.05Å; A38-E88 HydrophobicContact CB-CG 4.17Å
39I97.6Very high97.2Very high0 Ų054.6 Ų54.60%028%0.283CS..Hα-helixtrans-61.6-47.7176.2-70.7164.7000110.7S35 A41 N42 Y45 R81 V84 T185S35-I39 WeakPolarHBondContact O-CB 3.25Å; S35-I39 VanDerWaalsContact O-CG1 3.29Å; S35-I39 WeakPolarHBondContact O-CG1 3.39Å; S35-I39 PolarHBondContact O-N 3.47Å; I39-A41 VanDerWaalsContact C-N 3.26Å; I39-A41 PolarHBondContact O-N 3.16Å; I39-N42 VanDerWaalsContact O-CB 3.24Å; I39-N42 WeakPolarHBondContact O-CB 3.34Å; I39-N42 PolarHBondContact O-N 2.77Å; I39-Y45 HydrophobicContact CG2-CD2 3.35Å; I39-Y45 HydrophobicContact CG2-CE2 3.68Å; I39-Y45 HydrophobicContact CG2-CG 3.83Å; I39-Y45 WeakPolarHBondContact O-CB 3.36Å; I39-Y45 WeakPolarHBondContact O-CD1 3.34Å; I39-Y45 VanDerWaalsContact O-CG 3.23Å; I39-R81 HydrophobicContact CD1-CB 4.08Å; I39-R81 WeakPolarHBondContact CD1-O 3.41Å; I39-R81 HydrophobicContact CG2-CG 4.43Å; I39-V84 HydrophobicContact CG1-CB 4.11Å; I39-V84 HydrophobicContact CG1-CG1 3.89Å; I39-T185 HydrophobicContact CD1-CG2 3.88Å
40K97.5Very high97.3Very high101 Ų10155 Ų5544%0.43929%0.285SS..Hα-helixtrans-62.2-31.8178.4-76.6-172-64.5-170.20113.6F36 S37 N42 Y45F36-K40 HydrophobicContact CD2-CD 4.15Å; F36-K40 HydrophobicContact CD2-CG 3.99Å; F36-K40 HydrophobicContact CE1-CD 4.23Å; F36-K40 HydrophobicContact CE2-CD 3.7Å; F36-K40 HydrophobicContact CE2-CG 3.75Å; F36-K40 HydrophobicContact CZ-CD 3.75Å; F36-K40 HydrophobicContact CZ-CG 4.32Å; F36-K40 WeakPolarHBondContact O-CB 3.33Å; F36-K40 WeakPolarHBondContact O-CG 3.28Å; F36-K40 PolarHBondContact O-N 3.44Å; S37-K40 PolarHBondContact O-N 2.9Å; K40-N42 VanDerWaalsContact C-N 3.3Å; K40-Y45 HydrophobicContact CB-CE1 4.37Å; K40-Y45 HydrophobicContact CG-CE1 3.95Å
41A97.3Very high97.4Very high84 Ų8452.9 Ų52.969%0.69428%0.277SS*.Hα-helixtrans-79.7-11.3177.300000113.4S37 A38 I39S37-A41 WeakPolarHBondContact O-CB 3.42Å; S37-A41 PolarHBondContact O-N 2.93Å; A38-A41 PolarHBondContact O-N 3.08Å; I39-A41 VanDerWaalsContact C-N 3.26Å; I39-A41 PolarHBondContact O-N 3.16Å
42N96.7Very high97.3Very high8 Ų853.9 Ų53.94%0.04329%0.287CS..  trans-73.5129.2-176.2-165-66.3000111.5A38 I39 K40 M44 Y45 V84 Y121A38-N42 PolarHBondContact O-N 3.1Å; I39-N42 VanDerWaalsContact O-CB 3.24Å; I39-N42 WeakPolarHBondContact O-CB 3.34Å; I39-N42 PolarHBondContact O-N 2.77Å; K40-N42 VanDerWaalsContact C-N 3.3Å; N42-M44 PolarHBondContact O-N 3.47Å; N42-M44 VanDerWaalsContact O-N 3.15Å; N42-M44 WeakPolarHBondContact OD1-CB 3.49Å; N42-M44 VanDerWaalsContact OD1-CE 3.28Å; N42-M44 WeakPolarHBondContact OD1-CE 3.32Å; N42-M44 PolarHBondContact OD1-N 2.91Å; N42-Y45 WeakPolarHBondContact O-CB 3.44Å; N42-Y45 PolarHBondContact O-N 2.97Å; N42-V84 HydrophobicContact CB-CG1 3.97Å; N42-V84 HydrophobicContact CB-CG2 4.27Å; N42-V84 VanDerWaalsContact ND2-CG1 3.29Å; N42-V84 WeakPolarHBondContact ND2-CG1 3.46Å; N42-V84 VanDerWaalsContact ND2-CG2 3.34Å; N42-V84 WeakPolarHBondContact ND2-CG2 3.44Å; N42-Y121 PolarHBondContact ND2-OH 3.31Å
43P95.4Very high97.2Very high105 Ų10559.7 Ų59.768%0.68232%0.318SS*.THydrogen-bonded Turntrans-64.8-21.3-178.226.2-35.6000114.1
44M95.4Very high97.2Very high14 Ų1453.9 Ų53.97%0.06930%0.297CS..THydrogen-bonded Turntrans-87.3-12.8176.9-59.6174.2-72.300112.8N42 Q73 V74 L80 I116 C117 N120 Y121N42-M44 PolarHBondContact O-N 3.47Å; N42-M44 VanDerWaalsContact O-N 3.15Å; N42-M44 WeakPolarHBondContact OD1-CB 3.49Å; N42-M44 VanDerWaalsContact OD1-CE 3.28Å; N42-M44 WeakPolarHBondContact OD1-CE 3.32Å; N42-M44 PolarHBondContact OD1-N 2.91Å; M44-Q73 PolarHBondContact O-OE1 3.41Å; M44-V74 WeakPolarHBondContact O-CB 3.29Å; M44-V74 WeakPolarHBondContact O-CG2 3.31Å; M44-L80 HydrophobicContact CB-CD1 4.46Å; M44-L80 HydrophobicContact CB-CD2 4.25Å; M44-L80 WeakPolarHBondContact O-CD2 3.45Å; M44-I116 HydrophobicContact SD-CG2 3.85Å; M44-C117 HydrophobicContact CE-CB 3.94Å; M44-C117 HydrophobicContact SD-CB 4.39Å; M44-N120 HydrophobicContact CE-CB 4.09Å; M44-N120 HydrophobicContact CG-CB 4.18Å; M44-N120 HydrophobicContact SD-CB 3.37Å; M44-N120 WeakPolarHBondContact SD-CB 3.29Å; M44-Y121 HydrophobicContact CE-CD2 4.34Å; M44-Y121 HydrophobicContact CE-CE2 3.64Å
45Y96.8Very high97.1Very high33 Ų3351.5 Ų51.513%0.12928%0.281CS..  trans-75.3132.7-177.9162.5-100.5000110.9I39 K40 N42 R47 E189I39-Y45 HydrophobicContact CG2-CD2 3.35Å; I39-Y45 HydrophobicContact CG2-CE2 3.68Å; I39-Y45 HydrophobicContact CG2-CG 3.83Å; I39-Y45 WeakPolarHBondContact O-CB 3.36Å; I39-Y45 WeakPolarHBondContact O-CD1 3.34Å; I39-Y45 VanDerWaalsContact O-CG 3.23Å; K40-Y45 HydrophobicContact CB-CE1 4.37Å; K40-Y45 HydrophobicContact CG-CE1 3.95Å; N42-Y45 WeakPolarHBondContact O-CB 3.44Å; N42-Y45 PolarHBondContact O-N 2.97Å; Y45-R47 HydrophobicContact CE1-CB 4.31Å; Y45-R47 WeakPolarHBondContact OH-CA 3.29Å; Y45-E189 PolarHBondContact OH-OE2 3.07Å
46R96.6Very high97Very high136 Ų13658.7 Ų58.751%0.51332%0.319SS..  trans-109.2132.2164-69.7173.5-178.4171.52.6109.6T48 Q73 V74R46-T48 PolarHBondContact O-N 3Å; R46-T48 VanDerWaalsContact O-N 3.14Å; R46-Q73 PolarHBondContact O-NE2 3.12Å; R46-V74 HydrophobicContact CG-CG2 3.81Å; R46-V74 VanDerWaalsContact NE-CG2 3.29Å
47R97.2Very high96.9Very high140 Ų14061.1 Ų61.153%0.52833%0.332SS..  trans-65.6107.6159.6-170.4179.1-176.21630.7107.4Y45 E189 D192 T193Y45-R47 HydrophobicContact CE1-CB 4.31Å; Y45-R47 WeakPolarHBondContact OH-CA 3.29Å; R47-E189 HydrophobicContact CG-CG 4.19Å; R47-E189 VanDerWaalsContact CG-OE1 3.28Å; R47-E189 WeakPolarHBondContact CG-OE1 3.49Å; R47-D192 PolarHBondContact NH2-O 2.66Å; R47-T193 PolarHBondContact NH2-OG1 3.4Å
48T97.7Very high96.8Very high3 Ų357.8 Ų57.82%0.01831%0.308CS..  trans-79.1144.3-174.154.40000109.9R46 K68 M69 E70 Q73 R81 E189R46-T48 PolarHBondContact O-N 3Å; R46-T48 VanDerWaalsContact O-N 3.14Å; T48-K68 PolarHBondContact O-NZ 3.43Å; T48-K68 WeakPolarHBondContact OG1-CE 3.49Å; T48-K68 PolarHBondContact OG1-NZ 2.99Å; T48-M69 VanDerWaalsContact CB-O 3.27Å; T48-M69 WeakPolarHBondContact CB-O 3.34Å; T48-M69 WeakPolarHBondContact CG2-O 3.34Å; T48-E70 PolarHBondContact OG1-OE1 2.88Å; T48-Q73 HydrophobicContact CG2-CB 4.23Å; T48-R81 PolarHBondContact OG1-NH2 3.41Å; T48-E189 PolarHBondContact N-OE1 3.19Å; T48-E189 VanDerWaalsContact N-OE1 3.16Å
49P97.5Very high96.6Very high51 Ų5160.6 Ų60.633%0.33133%0.331SS..  trans-68.4158.8-178.127.4-31.7000111.7M69 M72P49-M69 HydrophobicContact CG-CB 4.01Å; P49-M69 HydrophobicContact CG-CG 4.39Å; P49-M69 PolarHBondContact O-N 2.89Å; P49-M69 VanDerWaalsContact O-N 3.07Å; P49-M72 HydrophobicContact CG-CE 4.14Å; P49-M72 HydrophobicContact CG-SD 3.37Å; P49-M72 WeakPolarHBondContact CG-SD 3.45Å
50V98.3Very high96.5Very high21 Ų2160.9 Ų60.913%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-109.9120162.7-1780000106.5V52 D66 L67 K68 L190 T193 I194V50-V52 HydrophobicContact CG1-CG1 4.16Å; V50-D66 HydrophobicContact CG1-CB 3.8Å; V50-L67 WeakPolarHBondContact CA-O 3.4Å; V50-K68 HydrophobicContact CG2-CD 3.79Å; V50-L190 HydrophobicContact CG2-CD2 3.8Å; V50-T193 HydrophobicContact CB-CG2 4.43Å; V50-T193 HydrophobicContact CG2-CG2 3.95Å; V50-I194 HydrophobicContact CB-CG2 3.99Å; V50-I194 HydrophobicContact CG1-CD1 4.13Å; V50-I194 HydrophobicContact CG1-CG2 3.85Å; V50-I194 HydrophobicContact CG2-CG2 4.25Å
51L97.6Very high96.4Very high62 Ų6260.9 Ų60.933%0.32534%0.343SS..EExtended strand (participates in β ladder)trans-82.5117.6169.1-53.7-179.9000106.7C54 D66 L67 M69 I308L51-C54 VanDerWaalsContact CB-SG 3.58Å; L51-C54 PolarHBondContact O-SG 2.89Å; L51-D66 CarbonylContact O-C 3.54Å; L51-D66 VanDerWaalsContact O-CA 3.25Å; L51-D66 WeakPolarHBondContact O-CA 3.34Å; L51-L67 HydrophobicContact CB-CB 4.21Å; L51-L67 HydrophobicContact CD1-CD1 4.48Å; L51-L67 PolarHBondContact N-O 3.07Å; L51-L67 PolarHBondContact O-N 2.94Å; L51-M69 HydrophobicContact CD1-CE 4.47Å; L51-M69 HydrophobicContact CD1-CG 4.02Å; L51-M69 HydrophobicContact CD1-SD 3.96Å; L51-M69 HydrophobicContact CG-CG 3.84Å; L51-M69 HydrophobicContact CG-SD 4.33Å; L51-I308 HydrophobicContact CD1-CD1 3.45Å; L51-I308 VanDerWaalsContact CD1-CD1 3.45Å
52V96.7Very high96.2Very high79 Ų7959.4 Ų59.448%0.47934%0.336SS..  trans-93.2156.5-176.3-62.90000111.1V50 C54 D66 I194V50-V52 HydrophobicContact CG1-CG1 4.16Å; V52-C54 VanDerWaalsContact C-N 3.33Å; V52-C54 PolarHBondContact O-N 2.99Å; V52-D66 WeakPolarHBondContact CA-OD1 3.28Å; V52-I194 HydrophobicContact CG1-CG2 4.03Å
53D95.3Very high96.2Very high122 Ų12260 Ų6065%0.65234%0.338SS*.  trans55.942.1171-58.6-44.3000114A55 D66D53-A55 VanDerWaalsContact C-N 3.3Å; D53-A55 PolarHBondContact O-N 3.3Å; D53-D66 PolarHBondContact N-OD1 2.88Å
54C97.5Very high96.2Very high7 Ų757 Ų575%0.04732%0.32CS..  trans-81.6-1.2-176.5-66.40000114.4L51 V52 D56 M57 L58 V65 L67L51-C54 VanDerWaalsContact CB-SG 3.58Å; L51-C54 PolarHBondContact O-SG 2.89Å; V52-C54 VanDerWaalsContact C-N 3.33Å; V52-C54 PolarHBondContact O-N 2.99Å; C54-D56 PolarHBondContact O-N 3Å; C54-M57 HydrophobicContact CB-CE 4.03Å; C54-M57 PolarHBondContact O-N 3.46Å; C54-L58 HydrophobicContact CB-CD1 4.1Å; C54-L58 HydrophobicContact CB-CG 4.46Å; C54-L58 WeakPolarHBondContact O-CB 3.29Å; C54-L58 VanDerWaalsContact O-CG 3.28Å; C54-L58 WeakPolarHBondContact O-CG 3.27Å; C54-L58 PolarHBondContact O-N 3.16Å; C54-V65 WeakPolarHBondContact CB-O 3.24Å; C54-V65 PolarHBondContact N-O 3.41Å; C54-L67 HydrophobicContact CB-CD1 4.35Å; C54-L67 HydrophobicContact CB-CG 4.07Å
55A96.8Very high96.4Very high10 Ų1056.3 Ų56.38%0.08332%0.316CS..THydrogen-bonded Turntrans-61.1-46.3-17300000112.9D53 L58 A59 L60 F63 V65D53-A55 VanDerWaalsContact C-N 3.3Å; D53-A55 PolarHBondContact O-N 3.3Å; A55-L58 CarbonylContact O-C 3.54Å; A55-L58 PolarHBondContact O-N 3.38Å; A55-A59 PolarHBondContact O-N 3.05Å; A55-L60 HydrophobicContact CB-CB 4.5Å; A55-L60 PolarHBondContact O-N 3.36Å; A55-F63 WeakPolarHBondContact CB-O 3.43Å; A55-V65 HydrophobicContact CB-CB 4.37Å; A55-V65 HydrophobicContact CB-CG2 4.22Å
56D95.5Very high96.4Very high151 Ų15154.9 Ų54.981%0.80731%0.311SS*.THydrogen-bonded Turntrans-65.2-44.3178.9-73.8-13.9000111.5C54 L58 A59C54-D56 PolarHBondContact O-N 3Å; D56-L58 PolarHBondContact O-N 3.49Å; D56-A59 PolarHBondContact O-N 3.45Å; D56-A59 VanDerWaalsContact O-N 3.08Å
57M95.3Very high96.5Very high61 Ų6148.4 Ų48.430%0.329%0.287SS..THydrogen-bonded Turntrans-58.6-37.3176.9-178.3-16777.500111.8C54 L67 T305 A306C54-M57 HydrophobicContact CB-CE 4.03Å; C54-M57 PolarHBondContact O-N 3.46Å; M57-L67 HydrophobicContact CE-CD1 4.4Å; M57-T305 WeakPolarHBondContact O-CB 3.46Å; M57-T305 WeakPolarHBondContact O-CG2 3.37Å; M57-T305 PolarHBondContact O-OG1 2.8Å; M57-A306 HydrophobicContact CE-CB 3.65Å; M57-A306 HydrophobicContact SD-CB 3.47Å; M57-A306 WeakPolarHBondContact SD-CB 3.22Å
58L95.8Very high96.6Very high3 Ų341.8 Ų41.82%0.01626%0.261CS..THydrogen-bonded Turntrans-90.63.7179.3-62.6175000113.8C54 A55 D56 L60 V65 L67 V301 L302 V318C54-L58 HydrophobicContact CB-CD1 4.1Å; C54-L58 HydrophobicContact CB-CG 4.46Å; C54-L58 WeakPolarHBondContact O-CB 3.29Å; C54-L58 VanDerWaalsContact O-CG 3.28Å; C54-L58 WeakPolarHBondContact O-CG 3.27Å; C54-L58 PolarHBondContact O-N 3.16Å; A55-L58 CarbonylContact O-C 3.54Å; A55-L58 PolarHBondContact O-N 3.38Å; D56-L58 PolarHBondContact O-N 3.49Å; L58-L60 HydrophobicContact CB-CD1 3.75Å; L58-L60 HydrophobicContact CB-CG 3.89Å; L58-L60 HydrophobicContact CD1-CD1 4.07Å; L58-L60 PolarHBondContact O-N 2.82Å; L58-V65 HydrophobicContact CD1-CG1 4.36Å; L58-L67 HydrophobicContact CD1-CD1 4.39Å; L58-L67 HydrophobicContact CD1-CD2 4.11Å; L58-V301 HydrophobicContact CD2-CG1 3.88Å; L58-L302 HydrophobicContact CD2-CD2 3.98Å; L58-V318 HydrophobicContact CD1-CG1 4.32Å; L58-V318 HydrophobicContact CD1-CG2 4.38Å; L58-V318 HydrophobicContact CD2-CG1 4.21Å
59A94.4Very high96.6Very high81 Ų8141.8 Ų41.867%0.66926%0.261SS*.THydrogen-bonded Turntrans53.846.1-175.100000113.9A55 D56 P61A55-A59 PolarHBondContact O-N 3.05Å; D56-A59 PolarHBondContact O-N 3.45Å; D56-A59 VanDerWaalsContact O-N 3.08Å; A59-P61 VanDerWaalsContact C-CD 3.41Å; A59-P61 WeakPolarHBondContact O-CD 3.43Å
60L95.8Very high96.6Very high7 Ų739.4 Ų39.44%0.03725%0.246CC..  trans-109.970.4-178-65.2174.9000111.9A55 L58 G62 F63 V65 L321 M322A55-L60 HydrophobicContact CB-CB 4.5Å; A55-L60 PolarHBondContact O-N 3.36Å; L58-L60 HydrophobicContact CB-CD1 3.75Å; L58-L60 HydrophobicContact CB-CG 3.89Å; L58-L60 HydrophobicContact CD1-CD1 4.07Å; L58-L60 PolarHBondContact O-N 2.82Å; L60-G62 PolarHBondContact O-N 2.92Å; L60-F63 HydrophobicContact CB-CB 4.38Å; L60-F63 HydrophobicContact CB-CD2 4Å; L60-F63 PolarHBondContact O-N 3.25Å; L60-V65 HydrophobicContact CD1-CG2 3.96Å; L60-L321 HydrophobicContact CD1-CB 3.73Å; L60-L321 HydrophobicContact CD1-CD1 3.99Å; L60-L321 HydrophobicContact CD1-CG 4.44Å; L60-L321 HydrophobicContact CD2-CB 3.88Å; L60-L321 HydrophobicContact CG-CB 4.47Å; L60-M322 HydrophobicContact CD2-CB 4.43Å; L60-M322 HydrophobicContact CD2-CG 3.92Å
61P94.3Very high96.5Very high101 Ų10138.5 Ų38.566%0.65624%0.241SC*.THydrogen-bonded Turntrans-62.4135.9-176.127.2-35.5000112A59 F63 K330A59-P61 VanDerWaalsContact C-CD 3.41Å; A59-P61 WeakPolarHBondContact O-CD 3.43Å; P61-F63 VanDerWaalsContact C-N 3.34Å; P61-K330 WeakPolarHBondContact O-CE 3.4Å
62G94.4Very high96.4Very high52 Ų5239.9 Ų39.954%0.53625%0.246SC..THydrogen-bonded Turntrans86.3-1179.900000114.8L60 K330 G331L60-G62 PolarHBondContact O-N 2.92Å; G62-K330 CarbonylContact O-C 3.44Å; G62-K330 WeakPolarHBondContact O-CA 3.4Å; G62-K330 WeakPolarHBondContact O-CB 3.08Å; G62-G331 PolarHBondContact O-N 3.26Å
63F95.4Very high96.5Very high20 Ų2036.1 Ų36.19%0.08822%0.223CC..  trans-101.5152171.4-68.6-84.3000111.8A55 L60 P61 V65 L321 L326 C329 K330 V334A55-F63 WeakPolarHBondContact CB-O 3.43Å; L60-F63 HydrophobicContact CB-CB 4.38Å; L60-F63 HydrophobicContact CB-CD2 4Å; L60-F63 PolarHBondContact O-N 3.25Å; P61-F63 VanDerWaalsContact C-N 3.34Å; F63-V65 HydrophobicContact CB-CG2 3.52Å; F63-V65 HydrophobicContact CG-CG2 4.33Å; F63-L321 HydrophobicContact CD1-CD2 3.95Å; F63-L321 HydrophobicContact CE1-CD2 3.64Å; F63-L321 HydrophobicContact CZ-CD2 3.95Å; F63-L326 VanDerWaalsContact CE1-O 3.31Å; F63-L326 WeakPolarHBondContact CE1-O 3.44Å; F63-L326 WeakPolarHBondContact CZ-O 3.14Å; F63-C329 HydrophobicContact CE1-CB 4.18Å; F63-K330 HydrophobicContact CD1-CG 4.15Å; F63-K330 HydrophobicContact CD2-CG 3.94Å; F63-K330 HydrophobicContact CE1-CG 3.86Å; F63-K330 HydrophobicContact CE2-CD 4.23Å; F63-K330 VanDerWaalsContact CE2-CE 3.46Å; F63-K330 HydrophobicContact CE2-CG 3.65Å; F63-K330 HydrophobicContact CG-CG 4.2Å; F63-K330 HydrophobicContact CZ-CD 4.45Å; F63-K330 HydrophobicContact CZ-CG 3.61Å; F63-V334 HydrophobicContact CD1-CG2 4.12Å
64S96.4Very high96.4Very high43 Ų4332.5 Ų32.530%0.30121%0.206SC..EExtended strand (participates in β ladder)trans-105.2113156.2173.10000106.6V334S64-V334 WeakPolarHBondContact O-CB 3.4Å; S64-V334 PolarHBondContact O-N 2.87Å
65V98.1Very high96.3Very high0 Ų032.4 Ų32.40%021%0.205CC..EExtended strand (participates in β ladder)trans-122.8121.9-172.3-175.30000110.7C54 A55 L58 L60 F63 L67 L321 V334C54-V65 WeakPolarHBondContact CB-O 3.24Å; C54-V65 PolarHBondContact N-O 3.41Å; A55-V65 HydrophobicContact CB-CB 4.37Å; A55-V65 HydrophobicContact CB-CG2 4.22Å; L58-V65 HydrophobicContact CD1-CG1 4.36Å; L60-V65 HydrophobicContact CD1-CG2 3.96Å; F63-V65 HydrophobicContact CB-CG2 3.52Å; F63-V65 HydrophobicContact CG-CG2 4.33Å; V65-L67 HydrophobicContact CG1-CD2 4.05Å; V65-L321 HydrophobicContact CG1-CD1 4.05Å; V65-L321 HydrophobicContact CG2-CD1 4.19Å; V65-V334 CarbonylContact C-O 3.59Å; V65-V334 WeakPolarHBondContact CA-O 3.38Å
66D98.3Very high96.2Very high3 Ų331.9 Ų31.92%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-109146.3167.8-62.9-20.8000109.8V50 L51 V52 D53 I194 K333 V334 V335 A336V50-D66 HydrophobicContact CG1-CB 3.8Å; L51-D66 CarbonylContact O-C 3.54Å; L51-D66 VanDerWaalsContact O-CA 3.25Å; L51-D66 WeakPolarHBondContact O-CA 3.34Å; V52-D66 WeakPolarHBondContact CA-OD1 3.28Å; D53-D66 PolarHBondContact N-OD1 2.88Å; D66-I194 HydrophobicContact CB-CD1 4.27Å; D66-I194 VanDerWaalsContact OD2-CD1 3.23Å; D66-I194 WeakPolarHBondContact OD2-CD1 3.41Å; D66-K333 WeakPolarHBondContact OD2-CE 3.29Å; D66-K333 IonicContact OD2-NZ 2.71Å; D66-V334 PolarHBondContact N-O 3.42Å; D66-V335 HydrophobicContact CB-CG2 4.24Å; D66-V335 CarbonylContact O-C 3.47Å; D66-V335 WeakPolarHBondContact O-CA 3.43Å; D66-A336 PolarHBondContact O-N 3.44Å
67L98.3Very high96.2Very high0 Ų024.7 Ų24.70%016%0.163CC..EExtended strand (participates in β ladder)trans-108.8117.6177.1-53.6-176.2000110.8V50 L51 C54 M57 L58 V65 M69 L302 I308 V318 A336 I338V50-L67 WeakPolarHBondContact CA-O 3.4Å; L51-L67 HydrophobicContact CB-CB 4.21Å; L51-L67 HydrophobicContact CD1-CD1 4.48Å; L51-L67 PolarHBondContact N-O 3.07Å; L51-L67 PolarHBondContact O-N 2.94Å; C54-L67 HydrophobicContact CB-CD1 4.35Å; C54-L67 HydrophobicContact CB-CG 4.07Å; M57-L67 HydrophobicContact CE-CD1 4.4Å; L58-L67 HydrophobicContact CD1-CD1 4.39Å; L58-L67 HydrophobicContact CD1-CD2 4.11Å; V65-L67 HydrophobicContact CG1-CD2 4.05Å; L67-M69 HydrophobicContact CB-SD 3.91Å; L67-M69 PolarHBondContact O-N 3.4Å; L67-L302 HydrophobicContact CD1-CD2 3.95Å; L67-I308 HydrophobicContact CD1-CD1 4.44Å; L67-V318 HydrophobicContact CD2-CG2 4.23Å; L67-A336 HydrophobicContact CD2-CB 3.74Å; L67-I338 HydrophobicContact CB-CG1 4.12Å; L67-I338 HydrophobicContact CD2-CD1 4.38Å; L67-I338 HydrophobicContact CD2-CG1 4.44Å
68K98.4Very high96.2Very high0 Ų022.9 Ų22.90%015%0.152CC..EExtended strand (participates in β ladder)trans-85.3107.5172-17653.2177.6173.60110.1T48 V50 E70 I186 E189 L190 V335 A336 I337 I338T48-K68 PolarHBondContact O-NZ 3.43Å; T48-K68 WeakPolarHBondContact OG1-CE 3.49Å; T48-K68 PolarHBondContact OG1-NZ 2.99Å; V50-K68 HydrophobicContact CG2-CD 3.79Å; K68-E70 VanDerWaalsContact C-N 3.3Å; K68-E70 WeakPolarHBondContact CE-OE1 3.44Å; K68-E70 HydrophobicContact CG-CG 4.33Å; K68-E70 PolarHBondContact O-N 3.38Å; K68-I186 HydrophobicContact CG-CG2 3.96Å; K68-E189 IonicContact NZ-OE1 3.33Å; K68-E189 PolarHBondContact NZ-OE1 3.14Å; K68-L190 HydrophobicContact CB-CD2 4.04Å; K68-L190 HydrophobicContact CD-CD2 3.8Å; K68-L190 HydrophobicContact CD-CG 4.22Å; K68-L190 HydrophobicContact CG-CD1 4.44Å; K68-L190 HydrophobicContact CG-CD2 4.03Å; K68-L190 HydrophobicContact CG-CG 4.26Å; K68-V335 HydrophobicContact CB-CG1 3.98Å; K68-A336 PolarHBondContact N-O 3.48Å; K68-I337 HydrophobicContact CB-CD1 3.63Å; K68-I337 HydrophobicContact CG-CD1 4Å; K68-I338 PolarHBondContact O-N 3.04Å
69M97.9Very high96.2Very high4 Ų423.3 Ų23.32%0.0215%0.154CC..  trans-84.961.6-168.7-61.3-55.1-68.600113.5T48 P49 L51 L67 S71 M72 I308 I338T48-M69 VanDerWaalsContact CB-O 3.27Å; T48-M69 WeakPolarHBondContact CB-O 3.34Å; T48-M69 WeakPolarHBondContact CG2-O 3.34Å; P49-M69 HydrophobicContact CG-CB 4.01Å; P49-M69 HydrophobicContact CG-CG 4.39Å; P49-M69 PolarHBondContact O-N 2.89Å; P49-M69 VanDerWaalsContact O-N 3.07Å; L51-M69 HydrophobicContact CD1-CE 4.47Å; L51-M69 HydrophobicContact CD1-CG 4.02Å; L51-M69 HydrophobicContact CD1-SD 3.96Å; L51-M69 HydrophobicContact CG-CG 3.84Å; L51-M69 HydrophobicContact CG-SD 4.33Å; L67-M69 HydrophobicContact CB-SD 3.91Å; L67-M69 PolarHBondContact O-N 3.4Å; M69-S71 WeakPolarHBondContact CE-OG 3.46Å; M69-S71 PolarHBondContact O-N 2.94Å; M69-M72 HydrophobicContact CB-CB 4.4Å; M69-M72 HydrophobicContact CB-CG 3.99Å; M69-M72 HydrophobicContact CB-SD 3.94Å; M69-M72 HydrophobicContact CG-SD 4.41Å; M69-M72 WeakPolarHBondContact O-CB 3.37Å; M69-M72 PolarHBondContact O-N 3.38Å; M69-I308 HydrophobicContact CE-CD1 3.89Å; M69-I308 HydrophobicContact CE-CG1 4.28Å; M69-I308 HydrophobicContact CE-CG2 3.52Å; M69-I308 HydrophobicContact SD-CD1 4.4Å; M69-I338 HydrophobicContact CE-CB 4.44Å; M69-I338 HydrophobicContact CE-CG2 4.18Å; M69-I338 HydrophobicContact SD-CB 3.92Å; M69-I338 HydrophobicContact SD-CG1 3.85Å; M69-I338 HydrophobicContact SD-CG2 4.28Å
70E97.5Very high96.3Very high0 Ų019.5 Ų19.50%012%0.123CC..G310 helixtrans-61.6-22173.2-74.5-57.8113.800113.6T48 K68 M72 Q73 S77 R81 I186 I337 I338T48-E70 PolarHBondContact OG1-OE1 2.88Å; K68-E70 VanDerWaalsContact C-N 3.3Å; K68-E70 WeakPolarHBondContact CE-OE1 3.44Å; K68-E70 HydrophobicContact CG-CG 4.33Å; K68-E70 PolarHBondContact O-N 3.38Å; E70-M72 PolarHBondContact O-N 3.38Å; E70-M72 VanDerWaalsContact O-N 3.12Å; E70-Q73 VanDerWaalsContact O-CB 3.3Å; E70-Q73 WeakPolarHBondContact O-CB 3.38Å; E70-Q73 PolarHBondContact O-N 3.32Å; E70-Q73 VanDerWaalsContact O-N 3.09Å; E70-S77 CarbonylContact O-C 3.58Å; E70-R81 IonicContact OE1-CZ 2.77Å; E70-R81 IonicContact OE1-NE 3.49Å; E70-R81 PolarHBondContact OE1-NE 3.36Å; E70-R81 IonicContact OE1-NH2 2.78Å; E70-R81 PolarHBondContact OE1-NH2 2.89Å; E70-R81 WeakPolarHBondContact OE2-CD 3.48Å; E70-R81 IonicContact OE2-CZ 3.22Å; E70-R81 IonicContact OE2-NE 2.95Å; E70-R81 PolarHBondContact OE2-NE 3.19Å; E70-R81 IonicContact OE2-NH2 2.8Å; E70-I186 HydrophobicContact CG-CD1 3.89Å; E70-I186 HydrophobicContact CG-CG1 4.27Å; E70-I337 HydrophobicContact CG-CG2 4.32Å; E70-I338 CarbonylContact C-O 3.53Å; E70-I338 WeakPolarHBondContact CA-O 3.05Å; E70-I338 WeakPolarHBondContact CB-O 3.28Å; E70-I338 PolarHBondContact N-O 2.91Å
71S96.1Very high96.3Very high3 Ų319.2 Ų19.22%0.02112%0.121CC..G310 helixtrans-58.3-17.3167.667.60000113.3M69 I338 R341M69-S71 WeakPolarHBondContact CE-OG 3.46Å; M69-S71 PolarHBondContact O-N 2.94Å; S71-I338 PolarHBondContact N-O 3.08Å; S71-R341 WeakPolarHBondContact O-CD 3.45Å; S71-R341 VanDerWaalsContact O-CG 3.31Å; S71-R341 WeakPolarHBondContact O-CG 3.2Å; S71-R341 PolarHBondContact O-NH1 2.82Å
72M96.9Very high96.4Very high90 Ų9014.4 Ų14.444%0.4439%0.09SC..G310 helixtrans-93.73.1177.1-65.1-174.773.700114.5P49 M69 E70P49-M72 HydrophobicContact CG-CE 4.14Å; P49-M72 HydrophobicContact CG-SD 3.37Å; P49-M72 WeakPolarHBondContact CG-SD 3.45Å; M69-M72 HydrophobicContact CB-CB 4.4Å; M69-M72 HydrophobicContact CB-CG 3.99Å; M69-M72 HydrophobicContact CB-SD 3.94Å; M69-M72 HydrophobicContact CG-SD 4.41Å; M69-M72 WeakPolarHBondContact O-CB 3.37Å; M69-M72 PolarHBondContact O-N 3.38Å; E70-M72 PolarHBondContact O-N 3.38Å; E70-M72 VanDerWaalsContact O-N 3.12Å
73Q97.2Very high96.5Very high0 Ų012 Ų120%06%0.064CC..SBendtrans-58.6159.2169.9-16850.2-92.100111.1M44 R46 T48 E70 S75 G76 S77 L80 R341M44-Q73 PolarHBondContact O-OE1 3.41Å; R46-Q73 PolarHBondContact O-NE2 3.12Å; T48-Q73 HydrophobicContact CG2-CB 4.23Å; E70-Q73 VanDerWaalsContact O-CB 3.3Å; E70-Q73 WeakPolarHBondContact O-CB 3.38Å; E70-Q73 PolarHBondContact O-N 3.32Å; E70-Q73 VanDerWaalsContact O-N 3.09Å; Q73-S75 VanDerWaalsContact C-N 3.26Å; Q73-S75 PolarHBondContact O-N 2.81Å; Q73-G76 WeakPolarHBondContact O-CA 3.44Å; Q73-G76 PolarHBondContact O-N 3.21Å; Q73-S77 WeakPolarHBondContact CB-O 3.26Å; Q73-S77 WeakPolarHBondContact CG-O 3.41Å; Q73-L80 VanDerWaalsContact CD-CD2 3.46Å; Q73-L80 HydrophobicContact CG-CB 3.63Å; Q73-L80 HydrophobicContact CG-CD2 3.62Å; Q73-L80 HydrophobicContact CG-CG 4.24Å; Q73-R341 PolarHBondContact O-NH1 2.98Å; Q73-R341 VanDerWaalsContact O-NH1 3.08Å
74V95.3Very high96.6Very high47 Ų4711 Ų1129%0.2856%0.061SC..THydrogen-bonded Turntrans-53.1-43.9-177.5167.60000112M44 R46 G76 I116M44-V74 WeakPolarHBondContact O-CB 3.29Å; M44-V74 WeakPolarHBondContact O-CG2 3.31Å; R46-V74 HydrophobicContact CG-CG2 3.81Å; R46-V74 VanDerWaalsContact NE-CG2 3.29Å; V74-G76 PolarHBondContact O-N 3Å; V74-I116 HydrophobicContact CG1-CG2 4.34Å
75S94.8Very high96.6Very high4 Ų410 Ų103%0.0285%0.05CC..THydrogen-bonded Turntrans-77.7-0.117967.30000114.9Q73 S77 S113 I116 N342Q73-S75 VanDerWaalsContact C-N 3.26Å; Q73-S75 PolarHBondContact O-N 2.81Å; S75-S77 VanDerWaalsContact C-N 3.26Å; S75-S77 PolarHBondContact O-N 3.47Å; S75-S77 PolarHBondContact OG-O 3.43Å; S75-S113 WeakPolarHBondContact CB-OG 3.46Å; S75-S113 PolarHBondContact OG-OG 2.83Å; S75-I116 VanDerWaalsContact CA-CD1 3.46Å; S75-N342 PolarHBondContact O-ND2 3.44Å; S75-N342 PolarHBondContact O-OD1 3.46Å
76G95.3Very high96.5Very high0 Ų010 Ų100%05%0.05CC..SBendtrans75.311.8-173.500000114.7Q73 V74 S340 R341Q73-G76 WeakPolarHBondContact O-CA 3.44Å; Q73-G76 PolarHBondContact O-N 3.21Å; V74-G76 PolarHBondContact O-N 3Å; G76-S340 VanDerWaalsContact O-CA 3.26Å; G76-S340 WeakPolarHBondContact O-CA 3.5Å; G76-R341 PolarHBondContact O-N 3.06Å
77S95Very high96.4Very high0 Ų010.3 Ų10.30%05%0.052CC..BIsolated β-bridgetrans-156163.3175.270.50000114.3E70 Q73 S75 K79 N109 S113 G339E70-S77 CarbonylContact O-C 3.58Å; Q73-S77 WeakPolarHBondContact CB-O 3.26Å; Q73-S77 WeakPolarHBondContact CG-O 3.41Å; S75-S77 VanDerWaalsContact C-N 3.26Å; S75-S77 PolarHBondContact O-N 3.47Å; S75-S77 PolarHBondContact OG-O 3.43Å; S77-K79 PolarHBondContact O-N 3.1Å; S77-K79 VanDerWaalsContact O-N 3.09Å; S77-K79 WeakPolarHBondContact OG-CB 3.23Å; S77-K79 WeakPolarHBondContact OG-CG 3.21Å; S77-K79 PolarHBondContact OG-N 2.92Å; S77-N109 WeakPolarHBondContact OG-CB 3.3Å; S77-S113 PolarHBondContact OG-OG 3.04Å; S77-G339 CarbonylContact C-O 3.46Å; S77-G339 WeakPolarHBondContact CA-O 3.47Å
78Y95.5Very high96.3Very high22 Ų2214 Ų149%0.0867%0.069CC..THydrogen-bonded Turntrans-56.9-21.5173.270.6-89.7000114.3L80 R81 Y183 L212 G339Y78-L80 PolarHBondContact O-N 3.15Å; Y78-R81 PolarHBondContact O-N 2.94Å; Y78-Y183 AromaticContact CD2-CD1 3.63Å; Y78-Y183 HydrophobicContact CD2-CD1 3.63Å; Y78-Y183 AromaticContact CD2-CE1 3.41Å; Y78-Y183 HydrophobicContact CD2-CE1 3.41Å; Y78-Y183 VanDerWaalsContact CD2-CE1 3.41Å; Y78-Y183 HydrophobicContact CD2-CE2 4.3Å; Y78-Y183 HydrophobicContact CD2-CG 4.21Å; Y78-Y183 AromaticContact CD2-CZ 3.77Å; Y78-Y183 HydrophobicContact CE2-CD1 4.16Å; Y78-Y183 HydrophobicContact CE2-CD2 4.31Å; Y78-Y183 AromaticContact CE2-CE1 3.76Å; Y78-Y183 HydrophobicContact CE2-CE1 3.76Å; Y78-Y183 AromaticContact CE2-CE2 3.85Å; Y78-Y183 HydrophobicContact CE2-CE2 3.85Å; Y78-Y183 HydrophobicContact CE2-CG 4.43Å; Y78-Y183 AromaticContact CE2-CZ 3.57Å; Y78-Y183 WeakPolarHBondContact O-CE1 3.27Å; Y78-L212 HydrophobicContact CD1-CD2 3.88Å; Y78-L212 HydrophobicContact CD2-CB 4.1Å; Y78-L212 HydrophobicContact CD2-CD1 3.82Å; Y78-L212 HydrophobicContact CD2-CD2 4.13Å; Y78-L212 HydrophobicContact CD2-CG 4.22Å; Y78-L212 HydrophobicContact CE1-CD2 3.87Å; Y78-L212 HydrophobicContact CE2-CB 3.64Å; Y78-L212 HydrophobicContact CE2-CD1 4.26Å; Y78-L212 HydrophobicContact CE2-CD2 4.13Å; Y78-L212 HydrophobicContact CE2-CG 4.21Å; Y78-L212 HydrophobicContact CG-CD1 4.13Å; Y78-L212 HydrophobicContact CG-CD2 4.02Å; Y78-G339 WeakPolarHBondContact CD1-O 2.91Å; Y78-G339 PolarHBondContact N-O 3.03Å
79K94.9Very high96.1Very high13 Ų1317.8 Ų17.86%0.0579%0.085CC..Hα-helixtrans-55.3-30.8-173.1-62.7-70.3-165165.50113.1S77 R81 G82 I83 N109 Y110 S113 Y183 E263S77-K79 PolarHBondContact O-N 3.1Å; S77-K79 VanDerWaalsContact O-N 3.09Å; S77-K79 WeakPolarHBondContact OG-CB 3.23Å; S77-K79 WeakPolarHBondContact OG-CG 3.21Å; S77-K79 PolarHBondContact OG-N 2.92Å; K79-R81 PolarHBondContact O-N 2.89Å; K79-G82 PolarHBondContact O-N 3.16Å; K79-I83 HydrophobicContact CB-CD1 4.33Å; K79-I83 WeakPolarHBondContact O-CD1 3.35Å; K79-I83 WeakPolarHBondContact O-CG1 3.46Å; K79-I83 PolarHBondContact O-N 3Å; K79-I83 VanDerWaalsContact O-N 3.14Å; K79-N109 HydrophobicContact CG-CB 4.1Å; K79-Y110 HydrophobicContact CD-CD2 4.25Å; K79-S113 WeakPolarHBondContact CB-OG 3.24Å; K79-Y183 WeakPolarHBondContact CD-OH 3.37Å; K79-E263 WeakPolarHBondContact CE-OE1 3.22Å; K79-E263 WeakPolarHBondContact CE-OE2 3.17Å; K79-E263 IonicContact NZ-OE2 3.24Å; K79-E263 PolarHBondContact NZ-OE2 2.87Å
80L95.9Very high95.9Very high1 Ų118.4 Ų18.41%0.0059%0.089CC..Hα-helixtrans-53.3-41.5177.2-166.987.7000112M44 Q73 Y78 I83 V84 I116 C117M44-L80 HydrophobicContact CB-CD1 4.46Å; M44-L80 HydrophobicContact CB-CD2 4.25Å; M44-L80 WeakPolarHBondContact O-CD2 3.45Å; Q73-L80 VanDerWaalsContact CD-CD2 3.46Å; Q73-L80 HydrophobicContact CG-CB 3.63Å; Q73-L80 HydrophobicContact CG-CD2 3.62Å; Q73-L80 HydrophobicContact CG-CG 4.24Å; Y78-L80 PolarHBondContact O-N 3.15Å; L80-I83 PolarHBondContact O-N 3.42Å; L80-V84 HydrophobicContact CG-CG2 4.36Å; L80-V84 VanDerWaalsContact O-CG2 3.31Å; L80-V84 WeakPolarHBondContact O-CG2 3.41Å; L80-V84 PolarHBondContact O-N 2.91Å; L80-I116 HydrophobicContact CD1-CG2 4.44Å; L80-C117 VanDerWaalsContact CD1-SG 3.55Å
81R96.3Very high95.7Very high1 Ų123.2 Ų23.20%0.00411%0.11CC..Hα-helixtrans-60.9-52.4-176-66.4179.6-179.3-94.9-0.4112.2I39 T48 E70 Y78 K79 I83 V84 W85 Y183 I186 E189I39-R81 HydrophobicContact CD1-CB 4.08Å; I39-R81 WeakPolarHBondContact CD1-O 3.41Å; I39-R81 HydrophobicContact CG2-CG 4.43Å; T48-R81 PolarHBondContact OG1-NH2 3.41Å; E70-R81 IonicContact OE1-CZ 2.77Å; E70-R81 IonicContact OE1-NE 3.49Å; E70-R81 PolarHBondContact OE1-NE 3.36Å; E70-R81 IonicContact OE1-NH2 2.78Å; E70-R81 PolarHBondContact OE1-NH2 2.89Å; E70-R81 WeakPolarHBondContact OE2-CD 3.48Å; E70-R81 IonicContact OE2-CZ 3.22Å; E70-R81 IonicContact OE2-NE 2.95Å; E70-R81 PolarHBondContact OE2-NE 3.19Å; E70-R81 IonicContact OE2-NH2 2.8Å; Y78-R81 PolarHBondContact O-N 2.94Å; K79-R81 PolarHBondContact O-N 2.89Å; R81-I83 VanDerWaalsContact C-N 3.32Å; R81-I83 PolarHBondContact O-N 2.78Å; R81-V84 PolarHBondContact O-N 3.4Å; R81-W85 PolarHBondContact O-N 2.84Å; R81-Y183 HydrophobicContact CB-CD1 4.33Å; R81-I186 VanDerWaalsContact CD-CG1 3.41Å; R81-E189 IonicContact CZ-OE2 3.89Å; R81-E189 IonicContact NH1-OE2 2.87Å; R81-E189 PolarHBondContact NH1-OE2 2.89Å; R81-E189 VanDerWaalsContact NH2-CD 3.29Å; R81-E189 IonicContact NH2-OE1 3.75Å; R81-E189 PolarHBondContact NH2-OE1 3.48Å; R81-E189 IonicContact NH2-OE2 3.1Å; R81-E189 PolarHBondContact NH2-OE2 3.47Å
82G96.1Very high95.5Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-58.8-44.8176.900000111.7K79 V84 W85 Q86 L179K79-G82 PolarHBondContact O-N 3.16Å; G82-V84 PolarHBondContact O-N 2.87Å; G82-W85 PolarHBondContact O-N 3.32Å; G82-Q86 WeakPolarHBondContact O-CB 3.32Å; G82-Q86 PolarHBondContact O-N 2.96Å; G82-L179 WeakPolarHBondContact CA-O 3.44Å
83I96.8Very high95.2Very high0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-64.3-41.4-179.1-68.6164.3000111.5K79 L80 R81 W85 Q86 L87 Y110 L114 C117 L179K79-I83 HydrophobicContact CB-CD1 4.33Å; K79-I83 WeakPolarHBondContact O-CD1 3.35Å; K79-I83 WeakPolarHBondContact O-CG1 3.46Å; K79-I83 PolarHBondContact O-N 3Å; K79-I83 VanDerWaalsContact O-N 3.14Å; L80-I83 PolarHBondContact O-N 3.42Å; R81-I83 VanDerWaalsContact C-N 3.32Å; R81-I83 PolarHBondContact O-N 2.78Å; I83-W85 VanDerWaalsContact C-N 3.32Å; I83-W85 PolarHBondContact O-N 3.32Å; I83-Q86 WeakPolarHBondContact O-CB 3.45Å; I83-Q86 PolarHBondContact O-N 3.24Å; I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.07Å; I83-L87 WeakPolarHBondContact O-CB 3.47Å; I83-L87 VanDerWaalsContact O-CG 3.27Å; I83-L87 WeakPolarHBondContact O-CG 3.49Å; I83-L87 PolarHBondContact O-N 3.34Å; I83-Y110 HydrophobicContact CD1-CD2 3.76Å; I83-Y110 HydrophobicContact CD1-CE2 3.63Å; I83-Y110 HydrophobicContact CD1-CG 4.35Å; I83-Y110 HydrophobicContact CG1-CD2 3.98Å; I83-Y110 HydrophobicContact CG1-CE2 3.37Å; I83-L114 HydrophobicContact CD1-CB 4.16Å; I83-L114 HydrophobicContact CG2-CD1 3.92Å; I83-C117 HydrophobicContact CG2-CB 3.99Å; I83-L179 HydrophobicContact CG1-CD1 4.27Å
84V97.2Very high94.9Very high1 Ų129 Ų291%0.00615%0.147CC..Hα-helixtrans-57-47.5177.3166.80000111I39 N42 L80 R81 G82 L87 E88I39-V84 HydrophobicContact CG1-CB 4.11Å; I39-V84 HydrophobicContact CG1-CG1 3.89Å; N42-V84 HydrophobicContact CB-CG1 3.97Å; N42-V84 HydrophobicContact CB-CG2 4.27Å; N42-V84 VanDerWaalsContact ND2-CG1 3.29Å; N42-V84 WeakPolarHBondContact ND2-CG1 3.46Å; N42-V84 VanDerWaalsContact ND2-CG2 3.34Å; N42-V84 WeakPolarHBondContact ND2-CG2 3.44Å; L80-V84 HydrophobicContact CG-CG2 4.36Å; L80-V84 VanDerWaalsContact O-CG2 3.31Å; L80-V84 WeakPolarHBondContact O-CG2 3.41Å; L80-V84 PolarHBondContact O-N 2.91Å; R81-V84 PolarHBondContact O-N 3.4Å; G82-V84 PolarHBondContact O-N 2.87Å; V84-L87 PolarHBondContact O-N 2.95Å; V84-E88 PolarHBondContact O-N 3.22Å; V84-E88 VanDerWaalsContact O-N 3.14Å
85W97.3Very high94.7Very high22 Ų2233.3 Ų33.38%0.08316%0.164CC..Hα-helixtrans-69.9-37.3178.9-173.7-134.8000112.9A38 R81 G82 I83 L87 E88 K89A38-W85 HydrophobicContact CB-CE3 4.01Å; A38-W85 HydrophobicContact CB-CZ3 4.05Å; R81-W85 PolarHBondContact O-N 2.84Å; G82-W85 PolarHBondContact O-N 3.32Å; I83-W85 VanDerWaalsContact C-N 3.32Å; I83-W85 PolarHBondContact O-N 3.32Å; W85-L87 VanDerWaalsContact C-N 3.33Å; W85-L87 PolarHBondContact O-N 3.39Å; W85-E88 HydrophobicContact CE3-CB 3.82Å; W85-E88 HydrophobicContact CE3-CG 4.21Å; W85-E88 HydrophobicContact CZ3-CB 4.08Å; W85-E88 PolarHBondContact O-N 3.44Å; W85-K89 HydrophobicContact CD2-CG 4.39Å; W85-K89 HydrophobicContact CZ2-CD 4.37Å; W85-K89 VanDerWaalsContact O-CG 3.31Å; W85-K89 WeakPolarHBondContact O-CG 3.45Å; W85-K89 PolarHBondContact O-N 3.47Å
86Q95.6Very high94.6Very high0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-58.5-44.2172.7-173176.438.200111.4G82 I83 K89 L90 Y110 S171 H172 D176G82-Q86 WeakPolarHBondContact O-CB 3.32Å; G82-Q86 PolarHBondContact O-N 2.96Å; I83-Q86 WeakPolarHBondContact O-CB 3.45Å; I83-Q86 PolarHBondContact O-N 3.24Å; Q86-K89 PolarHBondContact O-N 3.42Å; Q86-K89 VanDerWaalsContact O-N 3.16Å; Q86-L90 HydrophobicContact CG-CD1 4.07Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.44Å; Q86-L90 PolarHBondContact O-N 2.81Å; Q86-Y110 PolarHBondContact OE1-OH 3.04Å; Q86-S171 PolarHBondContact OE1-OG 3.01Å; Q86-S171 VanDerWaalsContact OE1-OG 3.04Å; Q86-H172 VanDerWaalsContact NE2-N 3.17Å; Q86-H172 PolarHBondContact NE2-O 2.81Å; Q86-D176 PolarHBondContact NE2-OD2 2.77Å
87L95.8Very high94.2Very high9 Ų938.8 Ų38.85%0.04722%0.216CC..Hα-helixtrans-65-40.1178.2-70.7-179.4000112.7I83 V84 W85 K89 L90 K91 L102 C117 Y121I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.07Å; I83-L87 WeakPolarHBondContact O-CB 3.47Å; I83-L87 VanDerWaalsContact O-CG 3.27Å; I83-L87 WeakPolarHBondContact O-CG 3.49Å; I83-L87 PolarHBondContact O-N 3.34Å; V84-L87 PolarHBondContact O-N 2.95Å; W85-L87 VanDerWaalsContact C-N 3.33Å; W85-L87 PolarHBondContact O-N 3.39Å; L87-K89 PolarHBondContact O-N 3.46Å; L87-L90 CarbonylContact O-C 3.45Å; L87-L90 PolarHBondContact O-N 3.18Å; L87-L90 VanDerWaalsContact O-N 3.12Å; L87-K91 PolarHBondContact O-N 2.73Å; L87-L102 HydrophobicContact CD2-CD1 3.24Å; L87-C117 HydrophobicContact CD1-CB 3.5Å; L87-Y121 HydrophobicContact CD1-CD2 3.89Å; L87-Y121 HydrophobicContact CD1-CE2 3.88Å
88E95.7Very high94Very high76 Ų7647.6 Ų47.636%0.35525%0.249SC..Hα-helixtrans-57.1-39.2173-72.7-59.3143.500111.5A38 V84 W85 K91A38-E88 HydrophobicContact CB-CG 4.17Å; V84-E88 PolarHBondContact O-N 3.22Å; V84-E88 VanDerWaalsContact O-N 3.14Å; W85-E88 HydrophobicContact CE3-CB 3.82Å; W85-E88 HydrophobicContact CE3-CG 4.21Å; W85-E88 HydrophobicContact CZ3-CB 4.08Å; W85-E88 PolarHBondContact O-N 3.44Å; E88-K91 WeakPolarHBondContact O-CB 3.42Å; E88-K91 PolarHBondContact O-N 2.86Å
89K94.8Very high93.9Very high81 Ų8149.2 Ų49.235%0.35226%0.257SS..Hα-helixtrans-76.4-23.8179.1-64-82.3-177.5167.70113.1E31 W85 Q86 L87 N178E31-K89 IonicContact OE1-NZ 3.33Å; E31-K89 PolarHBondContact OE1-NZ 3.02Å; W85-K89 HydrophobicContact CD2-CG 4.39Å; W85-K89 HydrophobicContact CZ2-CD 4.37Å; W85-K89 VanDerWaalsContact O-CG 3.31Å; W85-K89 WeakPolarHBondContact O-CG 3.45Å; W85-K89 PolarHBondContact O-N 3.47Å; Q86-K89 PolarHBondContact O-N 3.42Å; Q86-K89 VanDerWaalsContact O-N 3.16Å; L87-K89 PolarHBondContact O-N 3.46Å; K89-N178 WeakPolarHBondContact CD-OD1 3.28Å; K89-N178 HydrophobicContact CG-CB 4.2Å; K89-N178 VanDerWaalsContact CG-OD1 3.29Å; K89-N178 WeakPolarHBondContact CG-OD1 3.37Å
90L94Very high93.8Very high17 Ų1751.4 Ų51.49%0.08927%0.274CS..Hα-helixtrans-90.8-11.6175.2-64.2178000113.4Q86 L87 A92 K93 L94 L102 L169Q86-L90 HydrophobicContact CG-CD1 4.07Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.44Å; Q86-L90 PolarHBondContact O-N 2.81Å; L87-L90 CarbonylContact O-C 3.45Å; L87-L90 PolarHBondContact O-N 3.18Å; L87-L90 VanDerWaalsContact O-N 3.12Å; L90-A92 PolarHBondContact O-N 3.3Å; L90-K93 HydrophobicContact CD2-CD 4.29Å; L90-K93 WeakPolarHBondContact O-CA 3.48Å; L90-K93 WeakPolarHBondContact O-CB 3.42Å; L90-K93 PolarHBondContact O-N 2.92Å; L90-L94 HydrophobicContact CB-CD1 4.23Å; L90-L94 PolarHBondContact O-N 2.92Å; L90-L102 HydrophobicContact CD1-CD2 4.02Å; L90-L169 HydrophobicContact CB-CD2 4.41Å; L90-L169 HydrophobicContact CD2-CD2 4.16Å
91K92.4Very high93.9Very high101 Ų10151.4 Ų51.444%0.43927%0.274SS..Hα-helixtrans-49.6-52.6-174.2-177174.8177.3177.50113.3L87 E88 K93 L94 E95L87-K91 PolarHBondContact O-N 2.73Å; E88-K91 WeakPolarHBondContact O-CB 3.42Å; E88-K91 PolarHBondContact O-N 2.86Å; K91-K93 VanDerWaalsContact C-N 3.27Å; K91-K93 PolarHBondContact O-N 3.15Å; K91-L94 PolarHBondContact O-N 2.93Å; K91-L94 VanDerWaalsContact O-N 3.12Å; K91-E95 WeakPolarHBondContact CE-OE1 3.42Å; K91-E95 HydrophobicContact CG-CG 4.28Å; K91-E95 WeakPolarHBondContact CG-OE1 3.3Å; K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 WeakPolarHBondContact O-CG 3.4Å; K91-E95 PolarHBondContact O-N 3.46Å
92A91.9Very high94Very high74 Ų7451.4 Ų51.461%0.61227%0.274SS*.Hα-helixtrans-62-33.2179.800000113.1L90 A96L90-A92 PolarHBondContact O-N 3.3Å; A92-A96 WeakPolarHBondContact O-CB 3.36Å; A92-A96 PolarHBondContact O-N 3.09Å
93K92.2Very high94Very high105 Ų10551.4 Ų51.446%0.45727%0.274SS..Hα-helixtrans-70.7-39.5176-67.8-178.3179.6175.80111.4L90 K91 L169L90-K93 HydrophobicContact CD2-CD 4.29Å; L90-K93 WeakPolarHBondContact O-CA 3.48Å; L90-K93 WeakPolarHBondContact O-CB 3.42Å; L90-K93 PolarHBondContact O-N 2.92Å; K91-K93 VanDerWaalsContact C-N 3.27Å; K91-K93 PolarHBondContact O-N 3.15Å; K93-L169 HydrophobicContact CB-CD2 3.94Å; K93-L169 HydrophobicContact CD-CD1 4.43Å; K93-L169 HydrophobicContact CD-CD2 4.38Å
94L91Very high93.9Very high35 Ų3551.4 Ų51.418%0.18327%0.274CS..Hα-helixtrans-68.6-45.4177.2-69.2165.6000111.4L90 K91 A96 G97 L102 I123 L169L90-L94 HydrophobicContact CB-CD1 4.23Å; L90-L94 PolarHBondContact O-N 2.92Å; K91-L94 PolarHBondContact O-N 2.93Å; K91-L94 VanDerWaalsContact O-N 3.12Å; L94-A96 VanDerWaalsContact C-N 3.27Å; L94-A96 PolarHBondContact O-N 2.89Å; L94-G97 PolarHBondContact O-N 3.46Å; L94-G97 VanDerWaalsContact O-N 3.13Å; L94-L102 HydrophobicContact CD1-CD1 4.34Å; L94-L102 HydrophobicContact CD1-CD2 4.42Å; L94-L102 HydrophobicContact CD2-CD2 3.96Å; L94-L102 HydrophobicContact CD2-CG 4.12Å; L94-I123 HydrophobicContact CD1-CD1 3.91Å; L94-I123 HydrophobicContact CD2-CG2 4.34Å; L94-L169 HydrophobicContact CD2-CD2 4.12Å; L94-L169 HydrophobicContact CG-CD2 4.23Å
95E91.1Very high93.6Very high137 Ų13751.4 Ų51.464%0.6427%0.274SS*.Hα-helixtrans-65.7-26.8179.1-72.7175.3166.500113.3K91 G97K91-E95 WeakPolarHBondContact CE-OE1 3.42Å; K91-E95 HydrophobicContact CG-CG 4.28Å; K91-E95 WeakPolarHBondContact CG-OE1 3.3Å; K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 WeakPolarHBondContact O-CG 3.4Å; K91-E95 PolarHBondContact O-N 3.46Å; E95-G97 PolarHBondContact O-N 3.3Å
96A92.5Very high93.1Very high57 Ų5750.5 Ų50.547%0.47127%0.271SS..THydrogen-bonded Turntrans-63.7-8.417400000113.7A92 L94 R98A92-A96 WeakPolarHBondContact O-CB 3.36Å; A92-A96 PolarHBondContact O-N 3.09Å; L94-A96 VanDerWaalsContact C-N 3.27Å; L94-A96 PolarHBondContact O-N 2.89Å; A96-R98 HydrophobicContact CB-CG 4.5Å; A96-R98 PolarHBondContact O-N 3.1Å; A96-R98 VanDerWaalsContact O-N 3.15Å
97G87Confident92.2Very high63 Ų6351 Ų5165%0.64928%0.275SS*.THydrogen-bonded Turntrans68.912.7173.500000114.8L94 E95L94-G97 PolarHBondContact O-N 3.46Å; L94-G97 VanDerWaalsContact O-N 3.13Å; E95-G97 PolarHBondContact O-N 3.3Å
98R90.1Very high91.6Very high184 Ų18450.5 Ų50.569%0.69427%0.272SS*.  trans-87.1-7.3-179.2-64.7-171.2-66159.6-1.6113.8A96A96-R98 HydrophobicContact CB-CG 4.5Å; A96-R98 PolarHBondContact O-N 3.1Å; A96-R98 VanDerWaalsContact O-N 3.15Å
99H93.4Very high91.4Very high56 Ų5647 Ų4726%0.25926%0.256SS..  trans-123.5139.6-177-62.5-68.9000110.2G101 G167 L169H99-G101 VanDerWaalsContact C-N 3.27Å; H99-G101 PolarHBondContact O-N 3.43Å; H99-G167 WeakPolarHBondContact CA-O 3.47Å; H99-G167 WeakPolarHBondContact CB-O 3.36Å; H99-G167 PolarHBondContact ND1-O 3.15Å; H99-L169 HydrophobicContact CB-CB 4.04Å
100C93.9Very high91.3Very high60 Ų6043.1 Ų43.141%0.40524%0.239SC..SBendtrans-77.1-15.9178.556.40000112.9P124 G167 W168C100-P124 VanDerWaalsContact O-CB 3.31Å; C100-P124 WeakPolarHBondContact O-CB 3.45Å; C100-P124 WeakPolarHBondContact O-CG 3.45Å; C100-G167 PolarHBondContact N-O 3.1Å; C100-G167 VanDerWaalsContact SG-C 3.56Å; C100-W168 PolarHBondContact SG-NE1 3.29Å; C100-W168 VanDerWaalsContact SG-NE1 3.43Å
101G96.8Very high91.3Very high1 Ų142.3 Ų42.31%0.0124%0.235CC..  trans161.8-165.6-177.200000111.8H99 P124 L169H99-G101 VanDerWaalsContact C-N 3.27Å; H99-G101 PolarHBondContact O-N 3.43Å; G101-P124 CarbonylContact C-O 3.56Å; G101-P124 WeakPolarHBondContact CA-O 3.48Å; G101-L169 PolarHBondContact O-N 3.16Å
102L97.6Very high91.4Very high0 Ų037.5 Ų37.50%021%0.214CC..EExtended strand (participates in β ladder)trans-104.5137.1176.8-67.2173.6000111.5L87 L90 L94 L114 I123 P124 C125 R126 W168 L169L87-L102 HydrophobicContact CD2-CD1 3.24Å; L90-L102 HydrophobicContact CD1-CD2 4.02Å; L94-L102 HydrophobicContact CD1-CD1 4.34Å; L94-L102 HydrophobicContact CD1-CD2 4.42Å; L94-L102 HydrophobicContact CD2-CD2 3.96Å; L94-L102 HydrophobicContact CD2-CG 4.12Å; L102-L114 HydrophobicContact CD1-CD1 4.17Å; L102-I123 HydrophobicContact CD1-CG2 4.16Å; L102-I123 HydrophobicContact CG-CG2 4.02Å; L102-P124 PolarHBondContact N-O 3.09Å; L102-C125 CarbonylContact O-C 3.46Å; L102-C125 WeakPolarHBondContact O-CA 3.46Å; L102-R126 PolarHBondContact O-N 2.98Å; L102-W168 VanDerWaalsContact O-CE3 3.3Å; L102-W168 WeakPolarHBondContact O-CZ3 3.37Å; L102-L169 CarbonylContact C-O 3.54Å; L102-L169 VanDerWaalsContact CA-O 3.31Å; L102-L169 WeakPolarHBondContact CA-O 3.38Å; L102-L169 HydrophobicContact CD2-CB 4Å; L102-L169 HydrophobicContact CD2-CD2 4.05Å; L102-L169 HydrophobicContact CD2-CG 4.02Å
103V97.1Very high91.6Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-117.8142.3171.166.60000110.2R126 V128 L160 Q164 W168 L169 L170 S171V103-R126 VanDerWaalsContact CA-O 3.3Å; V103-R126 WeakPolarHBondContact CA-O 3.43Å; V103-R126 HydrophobicContact CB-CB 4.31Å; V103-R126 HydrophobicContact CG2-CB 4.06Å; V103-R126 HydrophobicContact CG2-CG 3.94Å; V103-V128 HydrophobicContact CG2-CG2 4.2Å; V103-L160 HydrophobicContact CB-CD1 4.46Å; V103-L160 HydrophobicContact CG1-CD1 4.03Å; V103-L160 HydrophobicContact CG2-CD1 3.7Å; V103-Q164 HydrophobicContact CG1-CG 4.27Å; V103-W168 HydrophobicContact CB-CB 3.8Å; V103-W168 HydrophobicContact CB-CD2 4.46Å; V103-W168 HydrophobicContact CB-CE3 4.26Å; V103-W168 HydrophobicContact CB-CG 4.32Å; V103-W168 HydrophobicContact CG1-CB 3.6Å; V103-L169 PolarHBondContact N-O 3.38Å; V103-L170 WeakPolarHBondContact O-CA 3.46Å; V103-S171 PolarHBondContact O-N 2.96Å
104T94.5Very high91.9Very high0 Ų029 Ų290%016%0.163CC..EExtended strand (participates in β ladder)trans-137.8161.9166.9-171.50000110.4Y110 L114 R126 V127 V128 S171T104-Y110 HydrophobicContact CG2-CD1 3.93Å; T104-Y110 HydrophobicContact CG2-CE1 3.89Å; T104-Y110 WeakPolarHBondContact OG1-CD1 3.31Å; T104-Y110 WeakPolarHBondContact OG1-CE1 3.45Å; T104-L114 HydrophobicContact CG2-CD2 3.52Å; T104-R126 PolarHBondContact N-O 3.11Å; T104-V127 HydrophobicContact CG2-CG1 4.06Å; T104-V127 HydrophobicContact CG2-CG2 4.27Å; T104-V128 PolarHBondContact O-N 3.4Å; T104-S171 WeakPolarHBondContact CB-O 3.48Å; T104-S171 PolarHBondContact OG1-O 3.3Å; T104-S171 VanDerWaalsContact OG1-O 3.09Å
105M90.3Very high92.2Very high2 Ų227.4 Ų27.41%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-101.9130160.6-175.5-178.661.100108.8V128 M156 L160 P173 L267 Y271M105-V128 CarbonylContact C-O 3.58Å; M105-V128 WeakPolarHBondContact CA-O 3.34Å; M105-V128 HydrophobicContact CB-CB 4.43Å; M105-V128 HydrophobicContact CG-CB 4.5Å; M105-M156 HydrophobicContact CG-CB 4.12Å; M105-M156 HydrophobicContact CG-CE 4.32Å; M105-M156 HydrophobicContact CG-SD 3.92Å; M105-M156 HydrophobicContact SD-CB 3.48Å; M105-M156 WeakPolarHBondContact SD-CB 3.46Å; M105-M156 HydrophobicContact SD-CE 3.79Å; M105-M156 HydrophobicContact SD-CG 4.37Å; M105-M156 HydrophobicContact SD-SD 4.03Å; M105-L160 HydrophobicContact CB-CD1 4.49Å; M105-L160 HydrophobicContact CB-CD2 4.27Å; M105-P173 WeakPolarHBondContact O-CG 3.46Å; M105-L267 HydrophobicContact CE-CD2 3.71Å; M105-L267 HydrophobicContact CG-CD2 3.92Å; M105-L267 HydrophobicContact SD-CD2 3.91Å; M105-Y271 HydrophobicContact CE-CD1 3.91Å; M105-Y271 HydrophobicContact CE-CD2 3.52Å; M105-Y271 HydrophobicContact CE-CE1 3.68Å; M105-Y271 HydrophobicContact CE-CE2 3.29Å; M105-Y271 HydrophobicContact CE-CG 3.83Å; M105-Y271 HydrophobicContact SD-CE2 4.11Å
106S87Confident92.5Very high3 Ų322.2 Ų22.22%0.02113%0.131CC..  trans-166.2132.2179.2160.70000111.2G108 G111 V128 M129S106-G108 VanDerWaalsContact C-N 3.32Å; S106-G108 PolarHBondContact OG-N 3.44Å; S106-G108 PolarHBondContact OG-O 3.09Å; S106-G111 PolarHBondContact OG-N 3.35Å; S106-V128 PolarHBondContact N-O 3.15Å; S106-M129 WeakPolarHBondContact O-CG 3.39Å
107A77.2Confident92.7Very high9 Ų919.5 Ų19.57%0.07411%0.109CC..SBendtrans-83.2-3.8170.200000113.8P130A107-P130 HydrophobicContact CB-CG 3.78Å
108G83.2Confident93.2Very high0 Ų016.5 Ų16.50%08%0.078CC..SBendtrans-163.2-121.7-175.300000118.6S106 Y110 G111 I112 K137S106-G108 VanDerWaalsContact C-N 3.32Å; S106-G108 PolarHBondContact OG-N 3.44Å; S106-G108 PolarHBondContact OG-O 3.09Å; G108-Y110 VanDerWaalsContact C-N 3.31Å; G108-Y110 PolarHBondContact O-N 3.48Å; G108-G111 PolarHBondContact O-N 3.09Å; G108-G111 VanDerWaalsContact O-N 3.08Å; G108-I112 PolarHBondContact O-N 2.84Å; G108-K137 VanDerWaalsContact CA-CD 3.47Å
109N91Very high93.5Very high1 Ų115.5 Ų15.51%0.0057%0.074CC..Hα-helixtrans-63.4-30.5-162.7-42.1-40000113.4S77 K79 S113 K137 E263 E311 N342S77-N109 WeakPolarHBondContact OG-CB 3.3Å; K79-N109 HydrophobicContact CG-CB 4.1Å; N109-S113 WeakPolarHBondContact O-CB 3.28Å; N109-S113 PolarHBondContact O-N 3.04Å; N109-S113 PolarHBondContact O-OG 2.94Å; N109-K137 PolarHBondContact OD1-NZ 3.32Å; N109-E263 WeakPolarHBondContact CA-OE1 3.35Å; N109-E263 WeakPolarHBondContact CB-OE1 3.31Å; N109-E263 VanDerWaalsContact CG-OE1 3.31Å; N109-E263 PolarHBondContact N-OE1 3.31Å; N109-E263 PolarHBondContact ND2-OE1 2.93Å; N109-E311 VanDerWaalsContact ND2-CD 3.33Å; N109-E311 PolarHBondContact ND2-OE1 3.2Å; N109-E311 PolarHBondContact ND2-OE2 2.95Å; N109-N342 WeakPolarHBondContact OD1-CB 3.35Å; N109-N342 PolarHBondContact OD1-ND2 3.25Å; N109-N342 VanDerWaalsContact OD1-ND2 3.12Å
110Y92.7Very high93.6Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-61.2-51.9170.9-174.7-89.1000111K79 I83 Q86 T104 G108 I112 S113 L114 S171 H172 P173 L179 E263K79-Y110 HydrophobicContact CD-CD2 4.25Å; I83-Y110 HydrophobicContact CD1-CD2 3.76Å; I83-Y110 HydrophobicContact CD1-CE2 3.63Å; I83-Y110 HydrophobicContact CD1-CG 4.35Å; I83-Y110 HydrophobicContact CG1-CD2 3.98Å; I83-Y110 HydrophobicContact CG1-CE2 3.37Å; Q86-Y110 PolarHBondContact OE1-OH 3.04Å; T104-Y110 HydrophobicContact CG2-CD1 3.93Å; T104-Y110 HydrophobicContact CG2-CE1 3.89Å; T104-Y110 WeakPolarHBondContact OG1-CD1 3.31Å; T104-Y110 WeakPolarHBondContact OG1-CE1 3.45Å; G108-Y110 VanDerWaalsContact C-N 3.31Å; G108-Y110 PolarHBondContact O-N 3.48Å; Y110-I112 VanDerWaalsContact C-N 3.33Å; Y110-I112 PolarHBondContact O-N 3.02Å; Y110-S113 PolarHBondContact O-N 3.47Å; Y110-S113 VanDerWaalsContact O-N 3.16Å; Y110-L114 HydrophobicContact CE1-CB 4.34Å; Y110-L114 HydrophobicContact CE1-CD2 4.12Å; Y110-L114 WeakPolarHBondContact O-CB 3.5Å; Y110-L114 PolarHBondContact O-N 2.69Å; Y110-S171 WeakPolarHBondContact OH-CB 3.43Å; Y110-S171 PolarHBondContact OH-O 2.59Å; Y110-S171 PolarHBondContact OH-OG 2.81Å; Y110-H172 PolarHBondContact OH-O 2.77Å; Y110-P173 HydrophobicContact CD1-CB 3.59Å; Y110-P173 HydrophobicContact CD2-CB 4.15Å; Y110-P173 HydrophobicContact CE1-CB 3.88Å; Y110-P173 HydrophobicContact CE2-CB 4.42Å; Y110-P173 HydrophobicContact CG-CB 3.73Å; Y110-L179 HydrophobicContact CD2-CD1 4.23Å; Y110-L179 HydrophobicContact CE2-CD1 3.48Å; Y110-L179 VanDerWaalsContact CE2-CD1 3.48Å; Y110-E263 PolarHBondContact N-OE1 3.38Å
111G94Very high93.6Very high0 Ų018.2 Ų18.20%08%0.08CC..Hα-helixtrans-58.8-41.417700000113.1S106 G108 A115S106-G111 PolarHBondContact OG-N 3.35Å; G108-G111 PolarHBondContact O-N 3.09Å; G108-G111 VanDerWaalsContact O-N 3.08Å; G111-A115 VanDerWaalsContact O-CB 3.29Å; G111-A115 WeakPolarHBondContact O-CB 3.34Å; G111-A115 PolarHBondContact O-N 3.45Å
112I95.3Very high93.5Very high1 Ų121.4 Ų21.41%0.00511%0.113CC..Hα-helixtrans-61.8-48.6174.1-66.6160.2000110.8G108 Y110 L114 A115 I116 K137 L140 V141 L144G108-I112 PolarHBondContact O-N 2.84Å; Y110-I112 VanDerWaalsContact C-N 3.33Å; Y110-I112 PolarHBondContact O-N 3.02Å; I112-L114 VanDerWaalsContact C-N 3.35Å; I112-L114 PolarHBondContact O-N 3.37Å; I112-A115 PolarHBondContact O-N 3.02Å; I112-I116 HydrophobicContact CG2-CD1 4.05Å; I112-I116 WeakPolarHBondContact O-CG1 3.32Å; I112-I116 PolarHBondContact O-N 3.27Å; I112-K137 HydrophobicContact CD1-CB 4.27Å; I112-K137 HydrophobicContact CD1-CD 4.16Å; I112-K137 HydrophobicContact CD1-CG 4.13Å; I112-L140 HydrophobicContact CB-CD2 4.49Å; I112-L140 HydrophobicContact CD1-CD2 3.84Å; I112-L140 HydrophobicContact CG1-CD2 3.97Å; I112-L140 HydrophobicContact CG1-CG 4.3Å; I112-L140 HydrophobicContact CG2-CD2 3.66Å; I112-L140 HydrophobicContact CG2-CG 4.14Å; I112-V141 HydrophobicContact CG1-CG2 3.88Å; I112-L144 HydrophobicContact CG2-CD1 4.35Å
113S96.7Very high93.5Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-67.2-36.9-177.6-58.60000111.9S75 S77 K79 N109 Y110 I116 C117S75-S113 WeakPolarHBondContact CB-OG 3.46Å; S75-S113 PolarHBondContact OG-OG 2.83Å; S77-S113 PolarHBondContact OG-OG 3.04Å; K79-S113 WeakPolarHBondContact CB-OG 3.24Å; N109-S113 WeakPolarHBondContact O-CB 3.28Å; N109-S113 PolarHBondContact O-N 3.04Å; N109-S113 PolarHBondContact O-OG 2.94Å; Y110-S113 PolarHBondContact O-N 3.47Å; Y110-S113 VanDerWaalsContact O-N 3.16Å; S113-I116 PolarHBondContact O-N 3.17Å; S113-C117 PolarHBondContact O-N 3.03Å; S113-C117 VanDerWaalsContact O-N 3.09Å; S113-C117 PolarHBondContact O-SG 3.49Å
114L97.3Very high93.5Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-67.1-46.7175.7-176.266.3000110.3I83 L102 T104 Y110 I112 I116 C117 C118I83-L114 HydrophobicContact CD1-CB 4.16Å; I83-L114 HydrophobicContact CG2-CD1 3.92Å; L102-L114 HydrophobicContact CD1-CD1 4.17Å; T104-L114 HydrophobicContact CG2-CD2 3.52Å; Y110-L114 HydrophobicContact CE1-CB 4.34Å; Y110-L114 HydrophobicContact CE1-CD2 4.12Å; Y110-L114 WeakPolarHBondContact O-CB 3.5Å; Y110-L114 PolarHBondContact O-N 2.69Å; I112-L114 VanDerWaalsContact C-N 3.35Å; I112-L114 PolarHBondContact O-N 3.37Å; L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 3.33Å; L114-C117 PolarHBondContact O-N 3.44Å; L114-C117 VanDerWaalsContact O-N 3.1Å; L114-C118 WeakPolarHBondContact O-CB 3.33Å; L114-C118 PolarHBondContact O-N 3.37Å; L114-C118 PolarHBondContact O-SG 3.29Å
115A97.6Very high93.7Very high1 Ų126.9 Ų26.91%0.00815%0.147CC..Hα-helixtrans-59.5-38.5177.300000112.4G111 I112 R119 L144 A146G111-A115 VanDerWaalsContact O-CB 3.29Å; G111-A115 WeakPolarHBondContact O-CB 3.34Å; G111-A115 PolarHBondContact O-N 3.45Å; I112-A115 PolarHBondContact O-N 3.02Å; A115-R119 VanDerWaalsContact O-CB 3.27Å; A115-R119 WeakPolarHBondContact O-CB 3.27Å; A115-R119 PolarHBondContact O-N 2.65Å; A115-L144 HydrophobicContact CB-CB 3.83Å; A115-L144 HydrophobicContact CB-CD1 3.8Å; A115-L144 HydrophobicContact CB-CG 4.47Å; A115-A146 HydrophobicContact CB-CB 3.77Å
116I97.2Very high94Very high28 Ų2828.5 Ų28.514%0.14415%0.153CC..Hα-helixtrans-60.6-49.7172.3-72.3165.3000111M44 V74 S75 L80 I112 S113 L114 R119 N120 L144M44-I116 HydrophobicContact SD-CG2 3.85Å; V74-I116 HydrophobicContact CG1-CG2 4.34Å; S75-I116 VanDerWaalsContact CA-CD1 3.46Å; L80-I116 HydrophobicContact CD1-CG2 4.44Å; I112-I116 HydrophobicContact CG2-CD1 4.05Å; I112-I116 WeakPolarHBondContact O-CG1 3.32Å; I112-I116 PolarHBondContact O-N 3.27Å; S113-I116 PolarHBondContact O-N 3.17Å; L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 3.33Å; I116-R119 PolarHBondContact O-N 3.46Å; I116-N120 PolarHBondContact O-N 3.4Å; I116-N120 VanDerWaalsContact O-N 3.1Å; I116-L144 HydrophobicContact CD1-CD1 4.4Å; I116-L144 HydrophobicContact CG1-CD1 3.7Å; I116-L144 HydrophobicContact CG1-CD2 3.64Å; I116-L144 HydrophobicContact CG1-CG 4.32Å
117C96.9Very high94.5Very high0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-64.2-48.1-178.7-63.50000111.9M44 L80 I83 L87 S113 L114 R119 N120 Y121M44-C117 HydrophobicContact CE-CB 3.94Å; M44-C117 HydrophobicContact SD-CB 4.39Å; L80-C117 VanDerWaalsContact CD1-SG 3.55Å; I83-C117 HydrophobicContact CG2-CB 3.99Å; L87-C117 HydrophobicContact CD1-CB 3.5Å; S113-C117 PolarHBondContact O-N 3.03Å; S113-C117 VanDerWaalsContact O-N 3.09Å; S113-C117 PolarHBondContact O-SG 3.49Å; L114-C117 PolarHBondContact O-N 3.44Å; L114-C117 VanDerWaalsContact O-N 3.1Å; C117-R119 VanDerWaalsContact C-N 3.34Å; C117-R119 PolarHBondContact O-N 3.26Å; C117-N120 WeakPolarHBondContact O-CB 3.29Å; C117-N120 PolarHBondContact O-N 2.92Å; C117-N120 VanDerWaalsContact O-N 3.12Å; C117-Y121 HydrophobicContact CB-CD2 4.49Å; C117-Y121 WeakPolarHBondContact O-CD2 3.45Å; C117-Y121 PolarHBondContact O-N 3.46Å
118C97Very high95.3Very high1 Ų128 Ų281%0.00715%0.149CC..Hα-helixtrans-58.2-44.4178.4-73.60000112.1L114 N120 Y121 G122 I123 C125L114-C118 WeakPolarHBondContact O-CB 3.33Å; L114-C118 PolarHBondContact O-N 3.37Å; L114-C118 PolarHBondContact O-SG 3.29Å; C118-N120 VanDerWaalsContact C-N 3.33Å; C118-N120 PolarHBondContact O-N 2.93Å; C118-Y121 CarbonylContact O-C 3.53Å; C118-Y121 PolarHBondContact O-N 3.05Å; C118-G122 PolarHBondContact O-N 3.14Å; C118-I123 HydrophobicContact CB-CB 4.29Å; C118-I123 WeakPolarHBondContact CB-O 3.28Å; C118-I123 PolarHBondContact O-N 2.78Å; C118-C125 HydrophobicContact CB-CB 3.58Å
119R96.8Very high95.7Very high163 Ų16328 Ų2862%0.61515%0.149SC*.Hα-helixtrans-58.6-44.4174.4-179.6-179.4176.81620.8111.9A115 I116 C117 Y121 G122 S143 L144A115-R119 VanDerWaalsContact O-CB 3.27Å; A115-R119 WeakPolarHBondContact O-CB 3.27Å; A115-R119 PolarHBondContact O-N 2.65Å; I116-R119 PolarHBondContact O-N 3.46Å; C117-R119 VanDerWaalsContact C-N 3.34Å; C117-R119 PolarHBondContact O-N 3.26Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 3.24Å; R119-G122 PolarHBondContact O-N 2.86Å; R119-S143 PolarHBondContact NH1-O 3.49Å; R119-L144 WeakPolarHBondContact CD-O 2.99Å
120N95.1Very high95.6Very high81 Ų8128 Ų2843%0.43315%0.149SC..Hα-helixtrans-65.9-32.6-179.9-174.281.2000112.8M44 I116 C117 C118M44-N120 HydrophobicContact CE-CB 4.09Å; M44-N120 HydrophobicContact CG-CB 4.18Å; M44-N120 HydrophobicContact SD-CB 3.37Å; M44-N120 WeakPolarHBondContact SD-CB 3.29Å; I116-N120 PolarHBondContact O-N 3.4Å; I116-N120 VanDerWaalsContact O-N 3.1Å; C117-N120 WeakPolarHBondContact O-CB 3.29Å; C117-N120 PolarHBondContact O-N 2.92Å; C117-N120 VanDerWaalsContact O-N 3.12Å; C118-N120 VanDerWaalsContact C-N 3.33Å; C118-N120 PolarHBondContact O-N 2.93Å
121Y94.7Very high95.5Very high91 Ų9130.4 Ų30.436%0.35716%0.162SC..Hα-helixtrans-94.3-0.5179.3-68.2-61.1000114.7N42 M44 L87 C117 C118 R119 I123N42-Y121 PolarHBondContact ND2-OH 3.31Å; M44-Y121 HydrophobicContact CE-CD2 4.34Å; M44-Y121 HydrophobicContact CE-CE2 3.64Å; L87-Y121 HydrophobicContact CD1-CD2 3.89Å; L87-Y121 HydrophobicContact CD1-CE2 3.88Å; C117-Y121 HydrophobicContact CB-CD2 4.49Å; C117-Y121 WeakPolarHBondContact O-CD2 3.45Å; C117-Y121 PolarHBondContact O-N 3.46Å; C118-Y121 CarbonylContact O-C 3.53Å; C118-Y121 PolarHBondContact O-N 3.05Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 3.24Å; Y121-I123 HydrophobicContact CG-CD1 4.4Å; Y121-I123 PolarHBondContact O-N 2.8Å
122G95Very high95Very high68 Ų6834.4 Ų34.470%0.70119%0.186SC*.THydrogen-bonded Turntrans65.925.9-175.700000113.8C118 R119C118-G122 PolarHBondContact O-N 3.14Å; R119-G122 PolarHBondContact O-N 2.86Å
123I96.5Very high94.6Very high35 Ų3534.5 Ų34.518%0.17919%0.187CC..  trans-91.8128.1178.7-59.5163.7000108.4L94 L102 C118 Y121 C125L94-I123 HydrophobicContact CD1-CD1 3.91Å; L94-I123 HydrophobicContact CD2-CG2 4.34Å; L102-I123 HydrophobicContact CD1-CG2 4.16Å; L102-I123 HydrophobicContact CG-CG2 4.02Å; C118-I123 HydrophobicContact CB-CB 4.29Å; C118-I123 WeakPolarHBondContact CB-O 3.28Å; C118-I123 PolarHBondContact O-N 2.78Å; Y121-I123 HydrophobicContact CG-CD1 4.4Å; Y121-I123 PolarHBondContact O-N 2.8Å; I123-C125 PolarHBondContact O-N 2.95Å
124P97.3Very high94Very high71 Ų7136.4 Ų36.446%0.46120%0.2SC..  trans-60136.9171.6-25.637.2000111.2C100 G101 L102 W168C100-P124 VanDerWaalsContact O-CB 3.31Å; C100-P124 WeakPolarHBondContact O-CB 3.45Å; C100-P124 WeakPolarHBondContact O-CG 3.45Å; G101-P124 CarbonylContact C-O 3.56Å; G101-P124 WeakPolarHBondContact CA-O 3.48Å; L102-P124 PolarHBondContact N-O 3.09Å; P124-W168 HydrophobicContact CB-CH2 4.26Å; P124-W168 HydrophobicContact CB-CZ3 4.34Å
125C98.1Very high93.6Very high10 Ų1042.4 Ų42.47%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-128.3133.7-173.7-1730000110.8L102 C118 I123 A146 E147L102-C125 CarbonylContact O-C 3.46Å; L102-C125 WeakPolarHBondContact O-CA 3.46Å; C118-C125 HydrophobicContact CB-CB 3.58Å; I123-C125 PolarHBondContact O-N 2.95Å; C125-A146 HydrophobicContact CB-CB 3.9Å; C125-A146 CarbonylContact O-C 3.57Å; C125-A146 WeakPolarHBondContact O-CA 3.49Å; C125-E147 PolarHBondContact O-N 3.17Å
126R97.8Very high93.2Very high36 Ų3644.2 Ų44.214%0.13623%0.234CC..EExtended strand (participates in β ladder)trans-124.9132.4173.4178.7-178-76.5-165.9-3.7110.2L102 V103 T104 E147 L149 S163 W168L102-R126 PolarHBondContact O-N 2.98Å; V103-R126 VanDerWaalsContact CA-O 3.3Å; V103-R126 WeakPolarHBondContact CA-O 3.43Å; V103-R126 HydrophobicContact CB-CB 4.31Å; V103-R126 HydrophobicContact CG2-CB 4.06Å; V103-R126 HydrophobicContact CG2-CG 3.94Å; T104-R126 PolarHBondContact N-O 3.11Å; R126-E147 CarbonylContact C-O 3.52Å; R126-E147 WeakPolarHBondContact CA-O 3.3Å; R126-E147 HydrophobicContact CB-CB 4.32Å; R126-E147 HydrophobicContact CG-CB 4.39Å; R126-E147 IonicContact CZ-OE1 2.65Å; R126-E147 IonicContact CZ-OE2 3.62Å; R126-E147 VanDerWaalsContact NE-CD 3.3Å; R126-E147 IonicContact NE-OE1 3.72Å; R126-E147 IonicContact NE-OE2 2.69Å; R126-E147 PolarHBondContact NE-OE2 3.47Å; R126-E147 IonicContact NH2-OE1 3.5Å; R126-E147 PolarHBondContact NH2-OE1 3.46Å; R126-E147 IonicContact NH2-OE2 3.26Å; R126-E147 PolarHBondContact NH2-OE2 3.09Å; R126-L149 HydrophobicContact CG-CD1 4.12Å; R126-L149 HydrophobicContact CG-CG 4.14Å; R126-S163 WeakPolarHBondContact CD-OG 3.38Å; R126-S163 PolarHBondContact NH1-OG 3.23Å; R126-W168 HydrophobicContact CB-CD2 4.2Å; R126-W168 HydrophobicContact CB-CE3 3.78Å; R126-W168 HydrophobicContact CB-CH2 3.69Å; R126-W168 HydrophobicContact CB-CZ2 4.12Å; R126-W168 HydrophobicContact CB-CZ3 3.51Å; R126-W168 VanDerWaalsContact CZ-CE2 3.45Å
127V96.4Very high92.9Very high0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-122114.3178.3-169.60000108.9T104 M129 V141 A146 E147 Q148 L149T104-V127 HydrophobicContact CG2-CG1 4.06Å; T104-V127 HydrophobicContact CG2-CG2 4.27Å; V127-M129 HydrophobicContact CB-CG 4.25Å; V127-M129 HydrophobicContact CG1-CG 3.59Å; V127-M129 HydrophobicContact CG1-SD 4.09Å; V127-V141 HydrophobicContact CB-CG1 4.03Å; V127-V141 HydrophobicContact CG2-CG1 3.72Å; V127-A146 HydrophobicContact CG2-CB 4.28Å; V127-E147 PolarHBondContact N-O 2.83Å; V127-Q148 WeakPolarHBondContact O-CA 3.48Å; V127-L149 PolarHBondContact O-N 2.6Å
128V95.1Very high92.6Very high0 Ų046.9 Ų46.90%024%0.243CC..EExtended strand (participates in β ladder)trans-81120.6169.3-173.70000107.8V103 T104 M105 S106 L149 M156 L159 L160V103-V128 HydrophobicContact CG2-CG2 4.2Å; T104-V128 PolarHBondContact O-N 3.4Å; M105-V128 CarbonylContact C-O 3.58Å; M105-V128 WeakPolarHBondContact CA-O 3.34Å; M105-V128 HydrophobicContact CB-CB 4.43Å; M105-V128 HydrophobicContact CG-CB 4.5Å; S106-V128 PolarHBondContact N-O 3.15Å; V128-L149 WeakPolarHBondContact CA-O 3.3Å; V128-L149 HydrophobicContact CG2-CB 4.33Å; V128-L149 HydrophobicContact CG2-CD1 4.38Å; V128-M156 HydrophobicContact CG1-CB 3.96Å; V128-M156 HydrophobicContact CG1-CG 4.08Å; V128-L159 HydrophobicContact CG1-CB 4.21Å; V128-L160 HydrophobicContact CG2-CD1 4.3Å
129M92.1Very high92.4Very high0 Ų052.1 Ų52.10%027%0.267CS..EExtended strand (participates in β ladder)trans-126.5145.1-174.6-54.1-169.574.900109.9S106 V127 R138 V141 Q148 L149 C150 C151S106-M129 WeakPolarHBondContact O-CG 3.39Å; V127-M129 HydrophobicContact CB-CG 4.25Å; V127-M129 HydrophobicContact CG1-CG 3.59Å; V127-M129 HydrophobicContact CG1-SD 4.09Å; M129-R138 HydrophobicContact CE-CG 4.11Å; M129-R138 HydrophobicContact SD-CG 3.93Å; M129-V141 HydrophobicContact SD-CG2 4.33Å; M129-Q148 HydrophobicContact SD-CG 4.24Å; M129-L149 PolarHBondContact N-O 2.74Å; M129-C150 WeakPolarHBondContact O-CA 3.39Å; M129-C151 PolarHBondContact O-N 2.69Å; M129-C151 VanDerWaalsContact O-N 3.09Å
130P88.8Confident92.3Very high1 Ų147.3 Ų47.31%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-66.8144.9167.527.6-30.3000109A107 T132 S133 C151 M156A107-P130 HydrophobicContact CB-CG 3.78Å; P130-T132 PolarHBondContact O-N 2.71Å; P130-S133 WeakPolarHBondContact CD-OG 3.33Å; P130-S133 WeakPolarHBondContact CG-OG 3.29Å; P130-S133 WeakPolarHBondContact O-CB 3.31Å; P130-S133 PolarHBondContact O-N 2.54Å; P130-S133 PolarHBondContact O-OG 3.26Å; P130-C151 CarbonylContact C-O 3.59Å; P130-C151 VanDerWaalsContact CA-O 3.28Å; P130-C151 WeakPolarHBondContact CA-O 3.23Å; P130-M156 HydrophobicContact CB-CE 4.43Å; P130-M156 HydrophobicContact CB-SD 3.83Å; P130-M156 WeakPolarHBondContact CD-SD 3.41Å; P130-M156 HydrophobicContact CG-SD 4.04Å; P130-M156 VanDerWaalsContact N-SD 3.38Å
131D89.5Confident92.3Very high52 Ų5243.4 Ų43.428%0.27823%0.233SC..THydrogen-bonded Turntrans-61.6-24.3177.167.1-27.6000113.3S133 R138 C151 Q152D131-S133 PolarHBondContact O-N 2.75Å; D131-R138 PolarHBondContact O-NH1 3.16Å; D131-R138 PolarHBondContact O-NH2 2.96Å; D131-C151 PolarHBondContact N-O 3.24Å; D131-Q152 PolarHBondContact OD2-NE2 3.05Å
132T84.9Confident92.3Very high83 Ų8341.6 Ų41.651%0.50924%0.236SC..THydrogen-bonded Turntrans-74.9-2.3170.859.30000114.3P130P130-T132 PolarHBondContact O-N 2.71Å
133S85.2Confident92.3Very high3 Ų342 Ų422%0.02123%0.228CC..SBendtrans-58.5137.8175.2-63.20000111P130 D131 Q135 R138P130-S133 WeakPolarHBondContact CD-OG 3.33Å; P130-S133 WeakPolarHBondContact CG-OG 3.29Å; P130-S133 WeakPolarHBondContact O-CB 3.31Å; P130-S133 PolarHBondContact O-N 2.54Å; P130-S133 PolarHBondContact O-OG 3.26Å; D131-S133 PolarHBondContact O-N 2.75Å; S133-Q135 PolarHBondContact O-N 3.45Å; S133-R138 PolarHBondContact O-NE 3.49Å; S133-R138 VanDerWaalsContact O-NE 3.07Å; S133-R138 PolarHBondContact O-NH2 3.39Å; S133-R138 VanDerWaalsContact O-NH2 3.15Å
134P84.7Confident92.3Very high41 Ų4141.5 Ų41.527%0.26623%0.226SC..  trans-51.7135176.6-26.433.8000111.7Y136 K137 R138P134-Y136 VanDerWaalsContact C-N 3.29Å; P134-Y136 HydrophobicContact CB-CD1 3.74Å; P134-Y136 HydrophobicContact CB-CE1 3.41Å; P134-Y136 VanDerWaalsContact CB-CE1 3.41Å; P134-Y136 HydrophobicContact CG-CE1 4.29Å; P134-Y136 PolarHBondContact O-N 2.69Å; P134-K137 HydrophobicContact CB-CG 4.28Å; P134-K137 PolarHBondContact O-N 2.93Å; P134-K137 VanDerWaalsContact O-N 3.09Å; P134-R138 PolarHBondContact O-N 3.1Å
135Q88.5Confident92.3Very high125 Ų12541.4 Ų41.458%0.58424%0.238SC*.Hα-helixtrans-59.1-40.7-172.6-176.8175.20.300112S133 K137 R138 Q139S133-Q135 PolarHBondContact O-N 3.45Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.34Å; Q135-R138 WeakPolarHBondContact O-CB 3.12Å; Q135-R138 PolarHBondContact O-N 3.02Å; Q135-Q139 HydrophobicContact CG-CG 4.42Å; Q135-Q139 WeakPolarHBondContact O-CG 3.37Å; Q135-Q139 PolarHBondContact O-N 2.83Å
136Y89.2Confident92.3Very high40 Ų4041.3 Ų41.316%0.15724%0.238CC..Hα-helixtrans-64.7-35178.580.1-86.5000112.5P134 Q139 L140 N342 I343 E344P134-Y136 VanDerWaalsContact C-N 3.29Å; P134-Y136 HydrophobicContact CB-CD1 3.74Å; P134-Y136 HydrophobicContact CB-CE1 3.41Å; P134-Y136 VanDerWaalsContact CB-CE1 3.41Å; P134-Y136 HydrophobicContact CG-CE1 4.29Å; P134-Y136 PolarHBondContact O-N 2.69Å; Y136-Q139 PolarHBondContact O-N 3.09Å; Y136-L140 WeakPolarHBondContact O-CB 3.22Å; Y136-L140 PolarHBondContact O-N 3.14Å; Y136-N342 VanDerWaalsContact OH-C 3.26Å; Y136-N342 PolarHBondContact OH-O 3.16Å; Y136-I343 WeakPolarHBondContact OH-CA 3.17Å; Y136-I343 PolarHBondContact OH-N 3.39Å; Y136-E344 HydrophobicContact CD1-CB 3.65Å; Y136-E344 HydrophobicContact CD1-CG 4.4Å; Y136-E344 HydrophobicContact CE1-CB 3.81Å; Y136-E344 HydrophobicContact CG-CB 4.25Å
137K90.7Very high92.2Very high14 Ų1443.3 Ų43.36%0.06125%0.249CC..Hα-helixtrans-66.1-42.3176.4-66.2-156.7-174.7-164.60110.3G108 N109 I112 P134 Q135 L140 V141 E311 N342G108-K137 VanDerWaalsContact CA-CD 3.47Å; N109-K137 PolarHBondContact OD1-NZ 3.32Å; I112-K137 HydrophobicContact CD1-CB 4.27Å; I112-K137 HydrophobicContact CD1-CD 4.16Å; I112-K137 HydrophobicContact CD1-CG 4.13Å; P134-K137 HydrophobicContact CB-CG 4.28Å; P134-K137 PolarHBondContact O-N 2.93Å; P134-K137 VanDerWaalsContact O-N 3.09Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.34Å; K137-L140 PolarHBondContact O-N 3.47Å; K137-V141 WeakPolarHBondContact O-CG2 3.44Å; K137-V141 PolarHBondContact O-N 2.9Å; K137-V141 VanDerWaalsContact O-N 3.08Å; K137-E311 IonicContact NZ-OE2 3.04Å; K137-E311 PolarHBondContact NZ-OE2 3.31Å; K137-N342 WeakPolarHBondContact CE-O 3.4Å; K137-N342 PolarHBondContact NZ-O 3.49Å
138R91.9Very high92.1Very high69 Ų6945.7 Ų45.726%0.2626%0.26SS..Hα-helixtrans-59.7-51172.3-72.9-172.3-77.6175.9-8.1111M129 D131 S133 P134 Q135 L140 V141 A142 Q148 C150M129-R138 HydrophobicContact CE-CG 4.11Å; M129-R138 HydrophobicContact SD-CG 3.93Å; D131-R138 PolarHBondContact O-NH1 3.16Å; D131-R138 PolarHBondContact O-NH2 2.96Å; S133-R138 PolarHBondContact O-NE 3.49Å; S133-R138 VanDerWaalsContact O-NE 3.07Å; S133-R138 PolarHBondContact O-NH2 3.39Å; S133-R138 VanDerWaalsContact O-NH2 3.15Å; P134-R138 PolarHBondContact O-N 3.1Å; Q135-R138 WeakPolarHBondContact O-CB 3.12Å; Q135-R138 PolarHBondContact O-N 3.02Å; R138-L140 VanDerWaalsContact C-N 3.3Å; R138-L140 PolarHBondContact O-N 3.19Å; R138-V141 PolarHBondContact O-N 3.23Å; R138-A142 PolarHBondContact O-N 2.65Å; R138-Q148 PolarHBondContact O-NE2 3.29Å; R138-Q148 PolarHBondContact O-OE1 2.9Å; R138-C150 VanDerWaalsContact CD-SG 3.5Å
139Q93Very high92.1Very high112 Ų11247.6 Ų47.652%0.52327%0.27SS..Hα-helixtrans-59-41178.7-73.4173.2-16.700112.7Q135 Y136 A142 S143Q135-Q139 HydrophobicContact CG-CG 4.42Å; Q135-Q139 WeakPolarHBondContact O-CG 3.37Å; Q135-Q139 PolarHBondContact O-N 2.83Å; Y136-Q139 PolarHBondContact O-N 3.09Å; Q139-A142 PolarHBondContact O-N 3.24Å; Q139-S143 WeakPolarHBondContact O-CB 3.1Å; Q139-S143 PolarHBondContact O-N 2.81Å
140L93.3Very high92.2Very high61 Ų6150.3 Ų50.332%0.31929%0.288SS..Hα-helixtrans-61.1-48.1177-177.455.4000111.7I112 Y136 K137 R138 A142 S143 L144I112-L140 HydrophobicContact CB-CD2 4.49Å; I112-L140 HydrophobicContact CD1-CD2 3.84Å; I112-L140 HydrophobicContact CG1-CD2 3.97Å; I112-L140 HydrophobicContact CG1-CG 4.3Å; I112-L140 HydrophobicContact CG2-CD2 3.66Å; I112-L140 HydrophobicContact CG2-CG 4.14Å; Y136-L140 WeakPolarHBondContact O-CB 3.22Å; Y136-L140 PolarHBondContact O-N 3.14Å; K137-L140 PolarHBondContact O-N 3.47Å; R138-L140 VanDerWaalsContact C-N 3.3Å; R138-L140 PolarHBondContact O-N 3.19Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.26Å; L140-S143 PolarHBondContact O-N 3.13Å; L140-S143 PolarHBondContact O-OG 3.4Å; L140-L144 HydrophobicContact CD1-CD1 4.38Å; L140-L144 HydrophobicContact CG-CD1 4.28Å; L140-L144 WeakPolarHBondContact O-CD1 3.37Å; L140-L144 VanDerWaalsContact O-CG 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.89Å
141V95.3Very high92.4Very high0 Ų051 Ų510%029%0.293CS..Hα-helixtrans-57.3-42.6175.2172.10000111.4I112 V127 M129 K137 R138 L144 A146 Q148I112-V141 HydrophobicContact CG1-CG2 3.88Å; V127-V141 HydrophobicContact CB-CG1 4.03Å; V127-V141 HydrophobicContact CG2-CG1 3.72Å; M129-V141 HydrophobicContact SD-CG2 4.33Å; K137-V141 WeakPolarHBondContact O-CG2 3.44Å; K137-V141 PolarHBondContact O-N 2.9Å; K137-V141 VanDerWaalsContact O-N 3.08Å; R138-V141 PolarHBondContact O-N 3.23Å; V141-L144 WeakPolarHBondContact O-CB 3.44Å; V141-L144 PolarHBondContact O-N 3.33Å; V141-A146 HydrophobicContact CG1-CB 3.75Å; V141-A146 PolarHBondContact O-N 3.5Å; V141-Q148 HydrophobicContact CB-CG 4.4Å; V141-Q148 HydrophobicContact CG1-CG 3.77Å
142A95.1Very high92.4Very high52 Ų5253.5 Ų53.543%0.4330%0.303SS..Hα-helixtrans-65.3-44.7178.900000111.1R138 Q139 L140 L144 G145R138-A142 PolarHBondContact O-N 2.65Å; Q139-A142 PolarHBondContact O-N 3.24Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.26Å; A142-L144 PolarHBondContact O-N 3.01Å; A142-L144 VanDerWaalsContact O-N 3.13Å; A142-G145 PolarHBondContact O-N 3.37Å
143S95.9Very high92.3Very high77 Ų7751 Ų5154%0.53829%0.291SS..Hα-helixtrans-61.6-21178.981.60000113.4R119 Q139 L140 G145R119-S143 PolarHBondContact NH1-O 3.49Å; Q139-S143 WeakPolarHBondContact O-CB 3.1Å; Q139-S143 PolarHBondContact O-N 2.81Å; L140-S143 PolarHBondContact O-N 3.13Å; L140-S143 PolarHBondContact O-OG 3.4Å; S143-G145 VanDerWaalsContact C-N 3.29Å
144L96.6Very high92.3Very high24 Ų2455.4 Ų55.413%0.12632%0.322CS..THydrogen-bonded Turntrans-84.8-2.9176.2-67.2164000112.6I112 A115 I116 R119 L140 V141 A142I112-L144 HydrophobicContact CG2-CD1 4.35Å; A115-L144 HydrophobicContact CB-CB 3.83Å; A115-L144 HydrophobicContact CB-CD1 3.8Å; A115-L144 HydrophobicContact CB-CG 4.47Å; I116-L144 HydrophobicContact CD1-CD1 4.4Å; I116-L144 HydrophobicContact CG1-CD1 3.7Å; I116-L144 HydrophobicContact CG1-CD2 3.64Å; I116-L144 HydrophobicContact CG1-CG 4.32Å; R119-L144 WeakPolarHBondContact CD-O 2.99Å; L140-L144 HydrophobicContact CD1-CD1 4.38Å; L140-L144 HydrophobicContact CG-CD1 4.28Å; L140-L144 WeakPolarHBondContact O-CD1 3.37Å; L140-L144 VanDerWaalsContact O-CG 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.89Å; V141-L144 WeakPolarHBondContact O-CB 3.44Å; V141-L144 PolarHBondContact O-N 3.33Å; A142-L144 PolarHBondContact O-N 3.01Å; A142-L144 VanDerWaalsContact O-N 3.13Å
145G96.4Very high92.6Very high69 Ų6957.5 Ų57.571%0.71133%0.331SS*.THydrogen-bonded Turntrans85.110.1178.900000114.1A142 S143A142-G145 PolarHBondContact O-N 3.37Å; S143-G145 VanDerWaalsContact C-N 3.29Å
146A97.5Very high92.6Very high9 Ų951.6 Ų51.67%0.07430%0.303CS..  trans-82.3138.4176.100000111.3A115 C125 V127 V141A115-A146 HydrophobicContact CB-CB 3.77Å; C125-A146 HydrophobicContact CB-CB 3.9Å; C125-A146 CarbonylContact O-C 3.57Å; C125-A146 WeakPolarHBondContact O-CA 3.49Å; V127-A146 HydrophobicContact CG2-CB 4.28Å; V141-A146 HydrophobicContact CG1-CB 3.75Å; V141-A146 PolarHBondContact O-N 3.5Å
147E96.7Very high92.6Very high77 Ų7749.9 Ų49.936%0.3630%0.297SS..EExtended strand (participates in β ladder)trans-67.9133.2170.9-174.5-175.5175.700109.7C125 R126 V127 L149C125-E147 PolarHBondContact O-N 3.17Å; R126-E147 CarbonylContact C-O 3.52Å; R126-E147 WeakPolarHBondContact CA-O 3.3Å; R126-E147 HydrophobicContact CB-CB 4.32Å; R126-E147 HydrophobicContact CG-CB 4.39Å; R126-E147 IonicContact CZ-OE1 2.65Å; R126-E147 IonicContact CZ-OE2 3.62Å; R126-E147 VanDerWaalsContact NE-CD 3.3Å; R126-E147 IonicContact NE-OE1 3.72Å; R126-E147 IonicContact NE-OE2 2.69Å; R126-E147 PolarHBondContact NE-OE2 3.47Å; R126-E147 IonicContact NH2-OE1 3.5Å; R126-E147 PolarHBondContact NH2-OE1 3.46Å; R126-E147 IonicContact NH2-OE2 3.26Å; R126-E147 PolarHBondContact NH2-OE2 3.09Å; V127-E147 PolarHBondContact N-O 2.83Å; E147-L149 HydrophobicContact CG-CD2 4.47Å
148Q94.5Very high92.7Very high51 Ų5152.1 Ų52.124%0.23832%0.318CS..EExtended strand (participates in β ladder)trans-110.1126.8176.5-78.4170.753.700111.3V127 M129 R138 V141V127-Q148 WeakPolarHBondContact O-CA 3.48Å; M129-Q148 HydrophobicContact SD-CG 4.24Å; R138-Q148 PolarHBondContact O-NE2 3.29Å; R138-Q148 PolarHBondContact O-OE1 2.9Å; V141-Q148 HydrophobicContact CB-CG 4.4Å; V141-Q148 HydrophobicContact CG1-CG 3.77Å
149L94.8Very high92.7Very high40 Ų4051 Ų5121%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-109.194.8168.3-57.9-173.9000108.3R126 V127 V128 M129 E147 L159R126-L149 HydrophobicContact CG-CD1 4.12Å; R126-L149 HydrophobicContact CG-CG 4.14Å; V127-L149 PolarHBondContact O-N 2.6Å; V128-L149 WeakPolarHBondContact CA-O 3.3Å; V128-L149 HydrophobicContact CG2-CB 4.33Å; V128-L149 HydrophobicContact CG2-CD1 4.38Å; M129-L149 PolarHBondContact N-O 2.74Å; E147-L149 HydrophobicContact CG-CD2 4.47Å; L149-L159 HydrophobicContact CB-CD1 4.41Å
150C93.5Very high92.7Very high57 Ų5745.8 Ų45.839%0.38529%0.293SS..EExtended strand (participates in β ladder)trans-86.4127.8176.3-68.30000110.4M129 R138M129-C150 WeakPolarHBondContact O-CA 3.39Å; R138-C150 VanDerWaalsContact CD-SG 3.5Å
151C92.9Very high92.8Very high16 Ų1646.9 Ų46.911%0.10830%0.299CS..EExtended strand (participates in β ladder)trans-150.6171.9178.766.30000111.7M129 P130 D131 N155 M156 L159M129-C151 PolarHBondContact O-N 2.69Å; M129-C151 VanDerWaalsContact O-N 3.09Å; P130-C151 CarbonylContact C-O 3.59Å; P130-C151 VanDerWaalsContact CA-O 3.28Å; P130-C151 WeakPolarHBondContact CA-O 3.23Å; D131-C151 PolarHBondContact N-O 3.24Å; C151-N155 HydrophobicContact CB-CB 4.22Å; C151-M156 VanDerWaalsContact SG-CA 3.58Å; C151-M156 WeakPolarHBondContact SG-CG 3.23Å; C151-L159 HydrophobicContact CB-CD1 3.57Å; C151-L159 VanDerWaalsContact SG-CD1 3.54Å
152Q89.8Confident92.8Very high103 Ų10352.2 Ų52.248%0.48132%0.324SS..  trans-58.2143.8168-65.5-60-40.500110.2D131 S154 N155 M156D131-Q152 PolarHBondContact OD2-NE2 3.05Å; Q152-S154 PolarHBondContact O-N 3.11Å; Q152-S154 VanDerWaalsContact O-N 3.1Å; Q152-N155 PolarHBondContact O-N 2.97Å; Q152-M156 PolarHBondContact O-N 3.39Å
153A83.2Confident92.9Very high30 Ų3049.8 Ų49.825%0.24830%0.304CS..G310 helixtrans-45.6-43.3177.300000113.5N155 M156 G266A153-N155 PolarHBondContact O-N 3.41Å; A153-M156 HydrophobicContact CB-CE 4.44Å; A153-M156 PolarHBondContact O-N 2.97Å; A153-G266 WeakPolarHBondContact CB-O 3.35Å
154S85.4Confident92.9Very high97 Ų9749.7 Ų49.768%0.67830%0.295SS*.G310 helixtrans-62.5-24.317952.50000114.4Q152Q152-S154 PolarHBondContact O-N 3.11Å; Q152-S154 VanDerWaalsContact O-N 3.1Å
155N90.7Very high92.8Very high85 Ų8552.6 Ų52.646%0.45532%0.322SS..G310 helixtrans-96.3-12.8-176.8-67.3-20.2000113.4C151 Q152 A153 S157 A158 L159C151-N155 HydrophobicContact CB-CB 4.22Å; Q152-N155 PolarHBondContact O-N 2.97Å; A153-N155 PolarHBondContact O-N 3.41Å; N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.83Å; N155-A158 PolarHBondContact O-N 2.86Å; N155-L159 PolarHBondContact O-N 2.87Å
156M88.9Confident92.8Very high0 Ų054.2 Ų54.20%032%0.315CS..Hα-helixtrans-57.1-40.4-171.2-71-168.6-62.700112.9M105 V128 P130 C151 Q152 A153 L159 L160 G266 L267M105-M156 HydrophobicContact CG-CB 4.12Å; M105-M156 HydrophobicContact CG-CE 4.32Å; M105-M156 HydrophobicContact CG-SD 3.92Å; M105-M156 HydrophobicContact SD-CB 3.48Å; M105-M156 WeakPolarHBondContact SD-CB 3.46Å; M105-M156 HydrophobicContact SD-CE 3.79Å; M105-M156 HydrophobicContact SD-CG 4.37Å; M105-M156 HydrophobicContact SD-SD 4.03Å; V128-M156 HydrophobicContact CG1-CB 3.96Å; V128-M156 HydrophobicContact CG1-CG 4.08Å; P130-M156 HydrophobicContact CB-CE 4.43Å; P130-M156 HydrophobicContact CB-SD 3.83Å; P130-M156 WeakPolarHBondContact CD-SD 3.41Å; P130-M156 HydrophobicContact CG-SD 4.04Å; P130-M156 VanDerWaalsContact N-SD 3.38Å; C151-M156 VanDerWaalsContact SG-CA 3.58Å; C151-M156 WeakPolarHBondContact SG-CG 3.23Å; Q152-M156 PolarHBondContact O-N 3.39Å; A153-M156 HydrophobicContact CB-CE 4.44Å; A153-M156 PolarHBondContact O-N 2.97Å; M156-L159 PolarHBondContact O-N 3.45Å; M156-L160 PolarHBondContact O-N 3.28Å; M156-G266 WeakPolarHBondContact CE-O 3.32Å; M156-L267 HydrophobicContact CE-CD2 3.5Å; M156-L267 HydrophobicContact SD-CD2 4.3Å
157S87.8Confident92.7Very high5 Ų554.9 Ų54.94%0.03532%0.322CS..Hα-helixtrans-72.3-33.2-179.6-164.20000113.8N155 L159 L160 D161 K270 Y271N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.83Å; S157-L159 VanDerWaalsContact C-N 3.28Å; S157-L159 PolarHBondContact O-N 3.36Å; S157-L160 WeakPolarHBondContact O-CB 3.39Å; S157-L160 PolarHBondContact O-N 3.48Å; S157-D161 WeakPolarHBondContact O-CB 3.42Å; S157-D161 PolarHBondContact O-N 3.42Å; S157-K270 WeakPolarHBondContact OG-CE 3.28Å; S157-K270 PolarHBondContact OG-NZ 2.77Å; S157-Y271 PolarHBondContact OG-OH 2.9Å
158A92.4Very high92.7Very high60 Ų6052.6 Ų52.650%0.49631%0.31SS..Hα-helixtrans-63.5-40.4175.900000110.3N155 L160 D161 E162N155-A158 PolarHBondContact O-N 2.86Å; A158-L160 VanDerWaalsContact C-N 3.35Å; A158-D161 PolarHBondContact O-N 2.89Å; A158-E162 WeakPolarHBondContact O-CB 3.44Å; A158-E162 PolarHBondContact O-N 3.48Å
159L93.7Very high92.8Very high45 Ų4551.1 Ų51.124%0.23630%0.304CS..Hα-helixtrans-67.9-32.6174.5-70-179.1000113.4V128 L149 C151 N155 M156 S157 S163V128-L159 HydrophobicContact CG1-CB 4.21Å; L149-L159 HydrophobicContact CB-CD1 4.41Å; C151-L159 HydrophobicContact CB-CD1 3.57Å; C151-L159 VanDerWaalsContact SG-CD1 3.54Å; N155-L159 PolarHBondContact O-N 2.87Å; M156-L159 PolarHBondContact O-N 3.45Å; S157-L159 VanDerWaalsContact C-N 3.28Å; S157-L159 PolarHBondContact O-N 3.36Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.41Å; L159-S163 PolarHBondContact O-OG 2.69Å
160L93.1Very high92.8Very high4 Ų451.2 Ų51.22%0.02131%0.305CS..Hα-helixtrans-66.4-48.7173.7-168.267.3000110.7V103 M105 V128 M156 S157 A158 E162 S163 Q164 L170 Y271V103-L160 HydrophobicContact CB-CD1 4.46Å; V103-L160 HydrophobicContact CG1-CD1 4.03Å; V103-L160 HydrophobicContact CG2-CD1 3.7Å; M105-L160 HydrophobicContact CB-CD1 4.49Å; M105-L160 HydrophobicContact CB-CD2 4.27Å; V128-L160 HydrophobicContact CG2-CD1 4.3Å; M156-L160 PolarHBondContact O-N 3.28Å; S157-L160 WeakPolarHBondContact O-CB 3.39Å; S157-L160 PolarHBondContact O-N 3.48Å; A158-L160 VanDerWaalsContact C-N 3.35Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 3.27Å; L160-S163 WeakPolarHBondContact O-CB 3.39Å; L160-S163 PolarHBondContact O-N 3.06Å; L160-S163 VanDerWaalsContact O-N 3.15Å; L160-Q164 WeakPolarHBondContact O-CG 3.13Å; L160-Q164 PolarHBondContact O-N 2.98Å; L160-L170 HydrophobicContact CD1-CD1 3.81Å; L160-L170 HydrophobicContact CD2-CD1 3.84Å; L160-L170 HydrophobicContact CG-CD1 4.12Å; L160-Y271 WeakPolarHBondContact CD2-OH 3.05Å
161D93.8Very high92.8Very high84 Ų8448.5 Ų48.545%0.44929%0.286SS..Hα-helixtrans-60.4-43.5177.7-63.5-25000110.7S157 A158 Q164 A165S157-D161 WeakPolarHBondContact O-CB 3.42Å; S157-D161 PolarHBondContact O-N 3.42Å; A158-D161 PolarHBondContact O-N 2.89Å; D161-Q164 PolarHBondContact O-N 3.06Å; D161-A165 WeakPolarHBondContact O-CB 3.4Å; D161-A165 PolarHBondContact O-N 2.98Å
162E96.5Very high92.6Very high111 Ų11149.8 Ų49.852%0.51929%0.291SS..Hα-helixtrans-61.4-43.4173.8-176.3-174.8168.100112A158 L160 Q164 A165 N166A158-E162 WeakPolarHBondContact O-CB 3.44Å; A158-E162 PolarHBondContact O-N 3.48Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 3.27Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-Q164 PolarHBondContact O-N 3.06Å; E162-A165 PolarHBondContact O-N 2.86Å; E162-N166 WeakPolarHBondContact O-CB 3.17Å; E162-N166 PolarHBondContact O-N 3.07Å; E162-N166 PolarHBondContact O-ND2 3.17Å; E162-N166 VanDerWaalsContact O-ND2 3.09Å
163S96.2Very high92.4Very high1 Ų145.2 Ų45.21%0.00727%0.27CS..Hα-helixtrans-62.1-42.4176.5-63.90000111.2R126 L159 L160 N166 G167 W168R126-S163 WeakPolarHBondContact CD-OG 3.38Å; R126-S163 PolarHBondContact NH1-OG 3.23Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.41Å; L159-S163 PolarHBondContact O-OG 2.69Å; L160-S163 WeakPolarHBondContact O-CB 3.39Å; L160-S163 PolarHBondContact O-N 3.06Å; L160-S163 VanDerWaalsContact O-N 3.15Å; S163-N166 CarbonylContact O-C 3.56Å; S163-N166 PolarHBondContact O-N 3.45Å; S163-N166 VanDerWaalsContact O-N 3.16Å; S163-G167 PolarHBondContact O-N 3.08Å; S163-W168 VanDerWaalsContact O-CB 3.29Å; S163-W168 WeakPolarHBondContact O-CB 3.34Å; S163-W168 PolarHBondContact O-N 2.92Å
164Q95.7Very high92Very high75 Ų7544.4 Ų44.435%0.3526%0.261SS..Hα-helixtrans-63.8-41.9176-70.8179.2-114.600112.3V103 L160 D161 E162 N166 G167 W168 L170V103-Q164 HydrophobicContact CG1-CG 4.27Å; L160-Q164 WeakPolarHBondContact O-CG 3.13Å; L160-Q164 PolarHBondContact O-N 2.98Å; D161-Q164 PolarHBondContact O-N 3.06Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-Q164 PolarHBondContact O-N 3.06Å; Q164-N166 PolarHBondContact O-N 3.09Å; Q164-G167 PolarHBondContact O-N 2.82Å; Q164-W168 WeakPolarHBondContact CA-O 3.32Å; Q164-L170 HydrophobicContact CG-CB 4.3Å
165A96.2Very high91.8Very high86 Ų8641.1 Ų41.171%0.71124%0.236SC*.Hα-helixtrans-60.8-31.2174.100000112.4D161 E162 G167D161-A165 WeakPolarHBondContact O-CB 3.4Å; D161-A165 PolarHBondContact O-N 2.98Å; E162-A165 PolarHBondContact O-N 2.86Å; A165-G167 VanDerWaalsContact C-N 3.25Å; A165-G167 PolarHBondContact O-N 2.98Å
166N95.8Very high91.7Very high102 Ų10238.5 Ų38.555%0.54522%0.222SC..THydrogen-bonded Turntrans-85.615.8175.4-69.6-37.2000114.1E162 S163 Q164E162-N166 WeakPolarHBondContact O-CB 3.17Å; E162-N166 PolarHBondContact O-N 3.07Å; E162-N166 PolarHBondContact O-ND2 3.17Å; E162-N166 VanDerWaalsContact O-ND2 3.09Å; S163-N166 CarbonylContact O-C 3.56Å; S163-N166 PolarHBondContact O-N 3.45Å; S163-N166 VanDerWaalsContact O-N 3.16Å; Q164-N166 PolarHBondContact O-N 3.09Å
167G95.5Very high91.9Very high23 Ų2340.5 Ų40.524%0.23723%0.232CC..THydrogen-bonded Turntrans90.56.1171.300000115.5H99 C100 S163 Q164 A165H99-G167 WeakPolarHBondContact CA-O 3.47Å; H99-G167 WeakPolarHBondContact CB-O 3.36Å; H99-G167 PolarHBondContact ND1-O 3.15Å; C100-G167 PolarHBondContact N-O 3.1Å; C100-G167 VanDerWaalsContact SG-C 3.56Å; S163-G167 PolarHBondContact O-N 3.08Å; Q164-G167 PolarHBondContact O-N 2.82Å; A165-G167 VanDerWaalsContact C-N 3.25Å; A165-G167 PolarHBondContact O-N 2.98Å
168W97.1Very high92.2Very high29 Ų2942.3 Ų42.311%0.1124%0.242CC..PPolyproline II helixtrans-75.8138.5173.1-66.478.8000111.1C100 L102 V103 P124 R126 S163 Q164C100-W168 PolarHBondContact SG-NE1 3.29Å; C100-W168 VanDerWaalsContact SG-NE1 3.43Å; L102-W168 VanDerWaalsContact O-CE3 3.3Å; L102-W168 WeakPolarHBondContact O-CZ3 3.37Å; V103-W168 HydrophobicContact CB-CB 3.8Å; V103-W168 HydrophobicContact CB-CD2 4.46Å; V103-W168 HydrophobicContact CB-CE3 4.26Å; V103-W168 HydrophobicContact CB-CG 4.32Å; V103-W168 HydrophobicContact CG1-CB 3.6Å; P124-W168 HydrophobicContact CB-CH2 4.26Å; P124-W168 HydrophobicContact CB-CZ3 4.34Å; R126-W168 HydrophobicContact CB-CD2 4.2Å; R126-W168 HydrophobicContact CB-CE3 3.78Å; R126-W168 HydrophobicContact CB-CH2 3.69Å; R126-W168 HydrophobicContact CB-CZ2 4.12Å; R126-W168 HydrophobicContact CB-CZ3 3.51Å; R126-W168 VanDerWaalsContact CZ-CE2 3.45Å; S163-W168 VanDerWaalsContact O-CB 3.29Å; S163-W168 WeakPolarHBondContact O-CB 3.34Å; S163-W168 PolarHBondContact O-N 2.92Å; Q164-W168 WeakPolarHBondContact CA-O 3.32Å
169L96.2Very high92.3Very high20 Ų2039.5 Ų39.511%0.10522%0.218CC..EExtended strand (participates in β ladder)trans-90.8125.5176178.961.6000110.1L90 K93 L94 H99 G101 L102 V103 S171L90-L169 HydrophobicContact CB-CD2 4.41Å; L90-L169 HydrophobicContact CD2-CD2 4.16Å; K93-L169 HydrophobicContact CB-CD2 3.94Å; K93-L169 HydrophobicContact CD-CD1 4.43Å; K93-L169 HydrophobicContact CD-CD2 4.38Å; L94-L169 HydrophobicContact CD2-CD2 4.12Å; L94-L169 HydrophobicContact CG-CD2 4.23Å; H99-L169 HydrophobicContact CB-CB 4.04Å; G101-L169 PolarHBondContact O-N 3.16Å; L102-L169 CarbonylContact C-O 3.54Å; L102-L169 VanDerWaalsContact CA-O 3.31Å; L102-L169 WeakPolarHBondContact CA-O 3.38Å; L102-L169 HydrophobicContact CD2-CB 4Å; L102-L169 HydrophobicContact CD2-CD2 4.05Å; L102-L169 HydrophobicContact CD2-CG 4.02Å; V103-L169 PolarHBondContact N-O 3.38Å; L169-S171 PolarHBondContact O-N 2.81Å
170L94.4Very high92.3Very high42 Ų4237.3 Ų37.322%0.2221%0.207CC..EExtended strand (participates in β ladder)trans-68.8126.3179.1179.263000111.3V103 L160 Q164 H172V103-L170 WeakPolarHBondContact O-CA 3.46Å; L160-L170 HydrophobicContact CD1-CD1 3.81Å; L160-L170 HydrophobicContact CD2-CD1 3.84Å; L160-L170 HydrophobicContact CG-CD1 4.12Å; Q164-L170 HydrophobicContact CG-CB 4.3Å; L170-H172 HydrophobicContact CG-CB 4.48Å
171S93.9Very high92.5Very high0 Ų037.2 Ų37.20%021%0.206CC..  trans-101.8101.1164.3-162.80000107.5Q86 V103 T104 Y110 L169Q86-S171 PolarHBondContact OE1-OG 3.01Å; Q86-S171 VanDerWaalsContact OE1-OG 3.04Å; V103-S171 PolarHBondContact O-N 2.96Å; T104-S171 WeakPolarHBondContact CB-O 3.48Å; T104-S171 PolarHBondContact OG1-O 3.3Å; T104-S171 VanDerWaalsContact OG1-O 3.09Å; Y110-S171 WeakPolarHBondContact OH-CB 3.43Å; Y110-S171 PolarHBondContact OH-O 2.59Å; Y110-S171 PolarHBondContact OH-OG 2.81Å; L169-S171 PolarHBondContact O-N 2.81Å
172H88.2Confident92.7Very high43 Ų4333.2 Ų33.220%0.19919%0.185CC..  trans-75.3129.6-169.3-169.2-80.1000111.2Q86 Y110 L170 F174 D175 D176Q86-H172 VanDerWaalsContact NE2-N 3.17Å; Q86-H172 PolarHBondContact NE2-O 2.81Å; Y110-H172 PolarHBondContact OH-O 2.77Å; L170-H172 HydrophobicContact CG-CB 4.48Å; H172-F174 AromaticContact CE1-CD2 3.92Å; H172-F174 AromaticContact CE1-CE1 3.81Å; H172-F174 AromaticContact CE1-CE2 3.52Å; H172-F174 AromaticContact CE1-CZ 3.41Å; H172-F174 VanDerWaalsContact CE1-CZ 3.41Å; H172-F174 WeakPolarHBondContact CE1-CZ 3.45Å; H172-F174 AromaticContact NE2-CZ 3.87Å; H172-F174 PolarHBondContact O-N 2.91Å; H172-D175 VanDerWaalsContact CE1-CB 3.44Å; H172-D175 WeakPolarHBondContact CE1-CB 3.43Å; H172-D175 PolarHBondContact CE1-N 2.97Å; H172-D175 VanDerWaalsContact CE1-N 3.27Å; H172-D175 PolarHBondContact ND1-N 2.6Å; H172-D176 HydrophobicContact CB-CB 4.18Å
173P84.9Confident92.7Very high8 Ų828 Ų285%0.05216%0.16CC..SBendtrans-80.3-14.5-164.127.2-34.4000116.6M105 Y110 L179M105-P173 WeakPolarHBondContact O-CG 3.46Å; Y110-P173 HydrophobicContact CD1-CB 3.59Å; Y110-P173 HydrophobicContact CD2-CB 4.15Å; Y110-P173 HydrophobicContact CE1-CB 3.88Å; Y110-P173 HydrophobicContact CE2-CB 4.42Å; Y110-P173 HydrophobicContact CG-CB 3.73Å; P173-L179 WeakPolarHBondContact O-CD2 3.22Å
174F75.8Confident92.8Very high12 Ų1227.9 Ų27.95%0.05316%0.16CC..SBendtrans-146.7-48.8-17757.6-92.4000115.2H172 D176 Y271H172-F174 AromaticContact CE1-CD2 3.92Å; H172-F174 AromaticContact CE1-CE1 3.81Å; H172-F174 AromaticContact CE1-CE2 3.52Å; H172-F174 AromaticContact CE1-CZ 3.41Å; H172-F174 VanDerWaalsContact CE1-CZ 3.41Å; H172-F174 WeakPolarHBondContact CE1-CZ 3.45Å; H172-F174 AromaticContact NE2-CZ 3.87Å; H172-F174 PolarHBondContact O-N 2.91Å; F174-D176 VanDerWaalsContact C-N 3.3Å; F174-D176 PolarHBondContact O-N 3.09Å; F174-Y271 AromaticContact CE1-CD1 3.97Å; F174-Y271 HydrophobicContact CE1-CD1 3.97Å; F174-Y271 HydrophobicContact CE1-CG 4.29Å; F174-Y271 WeakPolarHBondContact CE2-O 3.47Å; F174-Y271 VanDerWaalsContact CZ-CB 3.43Å; F174-Y271 AromaticContact CZ-CD1 3.66Å; F174-Y271 HydrophobicContact CZ-CD1 3.66Å; F174-Y271 AromaticContact CZ-CG 3.99Å; F174-Y271 HydrophobicContact CZ-CG 3.99Å; F174-Y271 WeakPolarHBondContact CZ-O 3.04Å
175D80.1Confident92.9Very high29 Ų2924.3 Ų24.316%0.15514%0.143CC..SBendtrans-89.624.7-173.5-155.439.9000115H172 G273 E274 N275 T276H172-D175 VanDerWaalsContact CE1-CB 3.44Å; H172-D175 WeakPolarHBondContact CE1-CB 3.43Å; H172-D175 PolarHBondContact CE1-N 2.97Å; H172-D175 VanDerWaalsContact CE1-N 3.27Å; H172-D175 PolarHBondContact ND1-N 2.6Å; D175-G273 VanDerWaalsContact OD1-CA 3.29Å; D175-G273 WeakPolarHBondContact OD1-CA 3.49Å; D175-G273 WeakPolarHBondContact OD2-CA 3.45Å; D175-E274 PolarHBondContact OD2-N 3.12Å; D175-E274 VanDerWaalsContact OD2-N 3.09Å; D175-N275 WeakPolarHBondContact OD1-CB 3.47Å; D175-N275 PolarHBondContact OD1-N 3.21Å; D175-N275 PolarHBondContact OD2-N 3.09Å; D175-N275 PolarHBondContact OD2-ND2 3.07Å; D175-T276 PolarHBondContact OD1-N 3.35Å
176D88.9Confident93Very high29 Ų2920.2 Ų20.216%0.15511%0.109CC..  trans-91.1121.5173.2-173.4-31.9000109.7Q86 H172 F174 N178 L179 V180Q86-D176 PolarHBondContact NE2-OD2 2.77Å; H172-D176 HydrophobicContact CB-CB 4.18Å; F174-D176 VanDerWaalsContact C-N 3.3Å; F174-D176 PolarHBondContact O-N 3.09Å; D176-N178 PolarHBondContact O-N 2.72Å; D176-N178 VanDerWaalsContact OD1-CB 3.28Å; D176-N178 WeakPolarHBondContact OD1-CB 3.44Å; D176-N178 PolarHBondContact OD1-N 3.23Å; D176-N178 PolarHBondContact OD1-ND2 3.47Å; D176-L179 HydrophobicContact CB-CB 3.88Å; D176-L179 WeakPolarHBondContact O-CA 3.1Å; D176-L179 WeakPolarHBondContact O-CB 3.3Å; D176-L179 PolarHBondContact O-N 3.37Å; D176-V180 WeakPolarHBondContact O-CG2 3.34Å; D176-V180 PolarHBondContact O-N 2.87Å
177L92.9Very high93.1Very high43 Ų4315.4 Ų15.423%0.2258%0.083CC..Hα-helixtrans-59.7-28.7179.6-67.9178.5000113.3W26 V180 C181 N275 I279W26-L177 HydrophobicContact CE3-CD1 4.1Å; W26-L177 HydrophobicContact CE3-CD2 3.7Å; W26-L177 HydrophobicContact CZ3-CD2 4.31Å; L177-V180 PolarHBondContact O-N 3.05Å; L177-C181 VanDerWaalsContact O-CB 3.22Å; L177-C181 WeakPolarHBondContact O-CB 3.38Å; L177-C181 PolarHBondContact O-N 2.89Å; L177-N275 HydrophobicContact CD2-CB 3.91Å; L177-I279 HydrophobicContact CD2-CD1 3.88Å
178N95.1Very high93.2Very high43 Ų4315.3 Ų15.323%0.238%0.077CC..Hα-helixtrans-69.5-37.8173.5-54.7-71.6000110.7K89 D176 C181 G182K89-N178 WeakPolarHBondContact CD-OD1 3.28Å; K89-N178 HydrophobicContact CG-CB 4.2Å; K89-N178 VanDerWaalsContact CG-OD1 3.29Å; K89-N178 WeakPolarHBondContact CG-OD1 3.37Å; D176-N178 PolarHBondContact O-N 2.72Å; D176-N178 VanDerWaalsContact OD1-CB 3.28Å; D176-N178 WeakPolarHBondContact OD1-CB 3.44Å; D176-N178 PolarHBondContact OD1-N 3.23Å; D176-N178 PolarHBondContact OD1-ND2 3.47Å; N178-C181 PolarHBondContact O-N 3.08Å; N178-G182 PolarHBondContact O-N 2.89Å
179L94.1Very high93.3Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-62.3-47.9174.1-169.897.2000111.1G82 I83 Y110 P173 D176 C181 G182 Y183G82-L179 WeakPolarHBondContact CA-O 3.44Å; I83-L179 HydrophobicContact CG1-CD1 4.27Å; Y110-L179 HydrophobicContact CD2-CD1 4.23Å; Y110-L179 HydrophobicContact CE2-CD1 3.48Å; Y110-L179 VanDerWaalsContact CE2-CD1 3.48Å; P173-L179 WeakPolarHBondContact O-CD2 3.22Å; D176-L179 HydrophobicContact CB-CB 3.88Å; D176-L179 WeakPolarHBondContact O-CA 3.1Å; D176-L179 WeakPolarHBondContact O-CB 3.3Å; D176-L179 PolarHBondContact O-N 3.37Å; L179-C181 VanDerWaalsContact C-N 3.34Å; L179-C181 PolarHBondContact O-N 2.63Å; L179-G182 PolarHBondContact O-N 3.24Å; L179-Y183 HydrophobicContact CD1-CE2 4.35Å; L179-Y183 WeakPolarHBondContact CD1-OH 3.16Å; L179-Y183 HydrophobicContact CD2-CD2 4.35Å; L179-Y183 HydrophobicContact CD2-CE2 3.34Å; L179-Y183 WeakPolarHBondContact CD2-OH 3.37Å; L179-Y183 HydrophobicContact CG-CD2 4.25Å; L179-Y183 HydrophobicContact CG-CE1 4.46Å; L179-Y183 HydrophobicContact CG-CE2 3.43Å; L179-Y183 VanDerWaalsContact CG-CE2 3.43Å; L179-Y183 WeakPolarHBondContact CG-OH 3.38Å; L179-Y183 VanDerWaalsContact O-CD2 3.28Å; L179-Y183 WeakPolarHBondContact O-CD2 3.09Å; L179-Y183 PolarHBondContact O-N 3.49Å; L179-Y183 VanDerWaalsContact O-N 3.09Å
180V94.5Very high93.3Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-59.4-44.7177.2-178.90000110.8F27 D176 L177 G182 Y183 G184 C214 G215 T276 I279F27-V180 HydrophobicContact CE1-CB 4.42Å; F27-V180 HydrophobicContact CE1-CG1 4.05Å; D176-V180 WeakPolarHBondContact O-CG2 3.34Å; D176-V180 PolarHBondContact O-N 2.87Å; L177-V180 PolarHBondContact O-N 3.05Å; V180-G182 PolarHBondContact O-N 3.28Å; V180-Y183 PolarHBondContact O-N 3.08Å; V180-Y183 VanDerWaalsContact O-N 3.15Å; V180-G184 PolarHBondContact O-N 3.25Å; V180-G184 VanDerWaalsContact O-N 3.11Å; V180-C214 HydrophobicContact CG1-CB 3.97Å; V180-G215 VanDerWaalsContact O-CA 3.22Å; V180-G215 WeakPolarHBondContact O-CA 3.32Å; V180-T276 HydrophobicContact CG2-CG2 4.04Å; V180-I279 HydrophobicContact CG1-CD1 4.23Å
181C97.1Very high93.5Very high1 Ų113.6 Ų13.61%0.0077%0.069CC..Hα-helixtrans-58.7-43.9175-176.20000112.2F27 L32 L177 N178 L179 Y183 G184F27-C181 HydrophobicContact CB-CB 4.43Å; F27-C181 HydrophobicContact CD1-CB 3.52Å; F27-C181 HydrophobicContact CD2-CB 4.11Å; F27-C181 HydrophobicContact CE1-CB 3.65Å; F27-C181 HydrophobicContact CE2-CB 4.23Å; F27-C181 HydrophobicContact CG-CB 3.77Å; F27-C181 HydrophobicContact CZ-CB 4.03Å; L32-C181 WeakPolarHBondContact CD1-O 3.38Å; L177-C181 VanDerWaalsContact O-CB 3.22Å; L177-C181 WeakPolarHBondContact O-CB 3.38Å; L177-C181 PolarHBondContact O-N 2.89Å; N178-C181 PolarHBondContact O-N 3.08Å; L179-C181 VanDerWaalsContact C-N 3.34Å; L179-C181 PolarHBondContact O-N 2.63Å; C181-Y183 VanDerWaalsContact C-N 3.31Å; C181-Y183 PolarHBondContact O-N 3.23Å; C181-G184 PolarHBondContact O-N 3.37Å
182G97.4Very high93.6Very high0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-61.3-36.4175.100000113.3S35 N178 L179 V180 T185S35-G182 WeakPolarHBondContact OG-CA 3.27Å; N178-G182 PolarHBondContact O-N 2.89Å; L179-G182 PolarHBondContact O-N 3.24Å; V180-G182 PolarHBondContact O-N 3.28Å; G182-T185 WeakPolarHBondContact O-CB 3.49Å; G182-T185 WeakPolarHBondContact O-CG2 3.45Å; G182-T185 PolarHBondContact O-N 3.26Å; G182-T185 PolarHBondContact O-OG1 3.37Å
183Y96.9Very high93.9Very high1 Ų118.7 Ų18.70%0.00410%0.1CC..Hα-helixtrans-72.1-32176.9-60.4-35000113.8Y78 K79 R81 L179 V180 C181 T185 I186 G211 L212Y78-Y183 AromaticContact CD2-CD1 3.63Å; Y78-Y183 HydrophobicContact CD2-CD1 3.63Å; Y78-Y183 AromaticContact CD2-CE1 3.41Å; Y78-Y183 HydrophobicContact CD2-CE1 3.41Å; Y78-Y183 VanDerWaalsContact CD2-CE1 3.41Å; Y78-Y183 HydrophobicContact CD2-CE2 4.3Å; Y78-Y183 HydrophobicContact CD2-CG 4.21Å; Y78-Y183 AromaticContact CD2-CZ 3.77Å; Y78-Y183 HydrophobicContact CE2-CD1 4.16Å; Y78-Y183 HydrophobicContact CE2-CD2 4.31Å; Y78-Y183 AromaticContact CE2-CE1 3.76Å; Y78-Y183 HydrophobicContact CE2-CE1 3.76Å; Y78-Y183 AromaticContact CE2-CE2 3.85Å; Y78-Y183 HydrophobicContact CE2-CE2 3.85Å; Y78-Y183 HydrophobicContact CE2-CG 4.43Å; Y78-Y183 AromaticContact CE2-CZ 3.57Å; Y78-Y183 WeakPolarHBondContact O-CE1 3.27Å; K79-Y183 WeakPolarHBondContact CD-OH 3.37Å; R81-Y183 HydrophobicContact CB-CD1 4.33Å; L179-Y183 HydrophobicContact CD1-CE2 4.35Å; L179-Y183 WeakPolarHBondContact CD1-OH 3.16Å; L179-Y183 HydrophobicContact CD2-CD2 4.35Å; L179-Y183 HydrophobicContact CD2-CE2 3.34Å; L179-Y183 WeakPolarHBondContact CD2-OH 3.37Å; L179-Y183 HydrophobicContact CG-CD2 4.25Å; L179-Y183 HydrophobicContact CG-CE1 4.46Å; L179-Y183 HydrophobicContact CG-CE2 3.43Å; L179-Y183 VanDerWaalsContact CG-CE2 3.43Å; L179-Y183 WeakPolarHBondContact CG-OH 3.38Å; L179-Y183 VanDerWaalsContact O-CD2 3.28Å; L179-Y183 WeakPolarHBondContact O-CD2 3.09Å; L179-Y183 PolarHBondContact O-N 3.49Å; L179-Y183 VanDerWaalsContact O-N 3.09Å; V180-Y183 PolarHBondContact O-N 3.08Å; V180-Y183 VanDerWaalsContact O-N 3.15Å; C181-Y183 VanDerWaalsContact C-N 3.31Å; C181-Y183 PolarHBondContact O-N 3.23Å; Y183-T185 PolarHBondContact O-N 3.04Å; Y183-T185 VanDerWaalsContact O-N 3.1Å; Y183-I186 WeakPolarHBondContact O-CB 3.39Å; Y183-I186 WeakPolarHBondContact O-CG1 3.47Å; Y183-I186 PolarHBondContact O-N 2.74Å; Y183-G211 WeakPolarHBondContact CD2-O 3.34Å; Y183-L212 HydrophobicContact CG-CD1 4.46Å
184G97.6Very high94.5Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-58.3-23.5174.500000114.1V180 C181 I186 L187 G215V180-G184 PolarHBondContact O-N 3.25Å; V180-G184 VanDerWaalsContact O-N 3.11Å; C181-G184 PolarHBondContact O-N 3.37Å; G184-I186 PolarHBondContact O-N 2.66Å; G184-I186 VanDerWaalsContact O-N 3.15Å; G184-L187 PolarHBondContact O-N 2.89Å; G184-L187 VanDerWaalsContact O-N 3.1Å; G184-G215 WeakPolarHBondContact CA-O 3.37Å
185T98.2Very high95.5Very high0 Ų020.9 Ų20.90%012%0.119CC..Hα-helixtrans-64.7-16.8176.771.70000113.7L32 S35 F36 I39 G182 Y183 L187 M188 E189L32-T185 HydrophobicContact CD1-CG2 4.09Å; S35-T185 WeakPolarHBondContact OG-CG2 3.37Å; F36-T185 HydrophobicContact CB-CG2 3.72Å; F36-T185 HydrophobicContact CD2-CG2 4.39Å; F36-T185 HydrophobicContact CG-CG2 4.38Å; I39-T185 HydrophobicContact CD1-CG2 3.88Å; G182-T185 WeakPolarHBondContact O-CB 3.49Å; G182-T185 WeakPolarHBondContact O-CG2 3.45Å; G182-T185 PolarHBondContact O-N 3.26Å; G182-T185 PolarHBondContact O-OG1 3.37Å; Y183-T185 PolarHBondContact O-N 3.04Å; Y183-T185 VanDerWaalsContact O-N 3.1Å; T185-L187 VanDerWaalsContact C-N 3.29Å; T185-L187 PolarHBondContact O-N 2.88Å; T185-M188 PolarHBondContact O-N 3.3Å; T185-E189 PolarHBondContact O-N 3.05Å
186I98.2Very high96.2Very high0 Ų023.1 Ų23.10%013%0.131CC..Hα-helixtrans-61.1-40.9172.6-67.2164.6000110.4K68 E70 R81 Y183 G184 E189 L190 L212 I216 I337K68-I186 HydrophobicContact CG-CG2 3.96Å; E70-I186 HydrophobicContact CG-CD1 3.89Å; E70-I186 HydrophobicContact CG-CG1 4.27Å; R81-I186 VanDerWaalsContact CD-CG1 3.41Å; Y183-I186 WeakPolarHBondContact O-CB 3.39Å; Y183-I186 WeakPolarHBondContact O-CG1 3.47Å; Y183-I186 PolarHBondContact O-N 2.74Å; G184-I186 PolarHBondContact O-N 2.66Å; G184-I186 VanDerWaalsContact O-N 3.15Å; I186-E189 PolarHBondContact O-N 3.36Å; I186-L190 HydrophobicContact CG2-CD1 4.28Å; I186-L190 WeakPolarHBondContact O-CG 3.26Å; I186-L190 PolarHBondContact O-N 3.05Å; I186-L212 HydrophobicContact CD1-CD1 3.35Å; I186-I216 HydrophobicContact CB-CD1 4.4Å; I186-I216 HydrophobicContact CB-CG1 4.45Å; I186-I216 HydrophobicContact CG2-CD1 4.27Å; I186-I337 HydrophobicContact CG2-CD1 4.01Å
187L98.2Very high96.6Very high0 Ų021.7 Ų21.70%012%0.124CC..Hα-helixtrans-67.1-40.1177.4-177.659.7000111.6G184 T185 E189 L190 M191 P197 V200 I216 A219 A220 L225G184-L187 PolarHBondContact O-N 2.89Å; G184-L187 VanDerWaalsContact O-N 3.1Å; T185-L187 VanDerWaalsContact C-N 3.29Å; T185-L187 PolarHBondContact O-N 2.88Å; L187-E189 VanDerWaalsContact C-N 3.34Å; L187-E189 PolarHBondContact O-N 3.18Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 3.33Å; L187-M191 WeakPolarHBondContact O-CG 3.36Å; L187-M191 PolarHBondContact O-N 2.88Å; L187-P197 HydrophobicContact CD1-CG 4.17Å; L187-V200 HydrophobicContact CD1-CG2 4.19Å; L187-I216 HydrophobicContact CB-CG2 4.45Å; L187-A219 HydrophobicContact CB-CB 4.44Å; L187-A219 HydrophobicContact CD2-CB 4.13Å; L187-A220 HydrophobicContact CD2-CB 3.65Å; L187-L225 HydrophobicContact CD2-CD1 3.94Å; L187-L225 HydrophobicContact CG-CD1 4.33Å
188M98Very high96.8Very high22 Ų2222.8 Ų22.811%0.10813%0.129CC..Hα-helixtrans-60.8-45.1174.4-62.3-177.175.900111.4L32 R33 F36 T185 L190 M191 D192 L223L32-M188 HydrophobicContact CD1-SD 4.25Å; L32-M188 HydrophobicContact CD2-SD 4.15Å; L32-M188 HydrophobicContact CG-SD 3.7Å; R33-M188 HydrophobicContact CG-CE 3.88Å; F36-M188 HydrophobicContact CB-CE 4.29Å; F36-M188 HydrophobicContact CB-SD 3.85Å; F36-M188 HydrophobicContact CD1-CB 3.81Å; F36-M188 HydrophobicContact CD1-CE 3.66Å; F36-M188 HydrophobicContact CD1-SD 3.89Å; F36-M188 HydrophobicContact CE1-CB 3.79Å; F36-M188 HydrophobicContact CE1-CE 4.43Å; F36-M188 HydrophobicContact CG-CB 4.35Å; F36-M188 HydrophobicContact CG-CE 4.39Å; F36-M188 HydrophobicContact CG-SD 4.12Å; F36-M188 HydrophobicContact CZ-CB 4.33Å; T185-M188 PolarHBondContact O-N 3.3Å; M188-L190 VanDerWaalsContact C-N 3.31Å; M188-L190 PolarHBondContact O-N 2.89Å; M188-M191 PolarHBondContact O-N 3.29Å; M188-D192 PolarHBondContact O-N 3.32Å; M188-L223 HydrophobicContact CG-CD1 4.12Å
189E98.1Very high97Very high1 Ų120.7 Ų20.71%0.00512%0.118CC..Hα-helixtrans-66.3-33.4177.2-171.6177.5136.600112.6F36 Y45 R47 T48 K68 R81 T185 I186 L187 D192 T193F36-E189 HydrophobicContact CE2-CB 4.06Å; F36-E189 HydrophobicContact CZ-CB 3.97Å; Y45-E189 PolarHBondContact OH-OE2 3.07Å; R47-E189 HydrophobicContact CG-CG 4.19Å; R47-E189 VanDerWaalsContact CG-OE1 3.28Å; R47-E189 WeakPolarHBondContact CG-OE1 3.49Å; T48-E189 PolarHBondContact N-OE1 3.19Å; T48-E189 VanDerWaalsContact N-OE1 3.16Å; K68-E189 IonicContact NZ-OE1 3.33Å; K68-E189 PolarHBondContact NZ-OE1 3.14Å; R81-E189 IonicContact CZ-OE2 3.89Å; R81-E189 IonicContact NH1-OE2 2.87Å; R81-E189 PolarHBondContact NH1-OE2 2.89Å; R81-E189 VanDerWaalsContact NH2-CD 3.29Å; R81-E189 IonicContact NH2-OE1 3.75Å; R81-E189 PolarHBondContact NH2-OE1 3.48Å; R81-E189 IonicContact NH2-OE2 3.1Å; R81-E189 PolarHBondContact NH2-OE2 3.47Å; T185-E189 PolarHBondContact O-N 3.05Å; I186-E189 PolarHBondContact O-N 3.36Å; L187-E189 VanDerWaalsContact C-N 3.34Å; L187-E189 PolarHBondContact O-N 3.18Å; E189-D192 PolarHBondContact O-N 2.92Å; E189-T193 WeakPolarHBondContact O-CB 3.3Å; E189-T193 PolarHBondContact O-N 3.33Å; E189-T193 VanDerWaalsContact O-N 3.09Å; E189-T193 PolarHBondContact O-OG1 2.85Å
190L97.6Very high97.2Very high0 Ų020.7 Ų20.70%012%0.118CC..Hα-helixtrans-61.8-49.6172.9-81.3169.4000111.3V50 K68 I186 L187 M188 D192 T193 I194 V335 I337V50-L190 HydrophobicContact CG2-CD2 3.8Å; K68-L190 HydrophobicContact CB-CD2 4.04Å; K68-L190 HydrophobicContact CD-CD2 3.8Å; K68-L190 HydrophobicContact CD-CG 4.22Å; K68-L190 HydrophobicContact CG-CD1 4.44Å; K68-L190 HydrophobicContact CG-CD2 4.03Å; K68-L190 HydrophobicContact CG-CG 4.26Å; I186-L190 HydrophobicContact CG2-CD1 4.28Å; I186-L190 WeakPolarHBondContact O-CG 3.26Å; I186-L190 PolarHBondContact O-N 3.05Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 3.33Å; M188-L190 VanDerWaalsContact C-N 3.31Å; M188-L190 PolarHBondContact O-N 2.89Å; L190-D192 VanDerWaalsContact C-N 3.29Å; L190-D192 PolarHBondContact O-N 3.21Å; L190-T193 PolarHBondContact O-N 3.12Å; L190-I194 HydrophobicContact CD2-CD1 4.08Å; L190-I194 HydrophobicContact CD2-CG1 4.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.4Å; L190-I194 PolarHBondContact O-N 2.87Å; L190-V335 HydrophobicContact CD1-CB 4.49Å; L190-V335 HydrophobicContact CD1-CG1 3.82Å; L190-V335 HydrophobicContact CD2-CG1 3.8Å; L190-V335 HydrophobicContact CD2-CG2 4.48Å; L190-V335 HydrophobicContact CG-CG1 4.49Å; L190-I337 HydrophobicContact CD1-CD1 4Å
191M96.9Very high97.3Very high53 Ų5320.7 Ų20.726%0.26112%0.118SC..Hα-helixtrans-58.4-42176.1-67.6-168.9-62.600112.2L187 M188 T193 G195 L196 L223 L225L187-M191 WeakPolarHBondContact O-CG 3.36Å; L187-M191 PolarHBondContact O-N 2.88Å; M188-M191 PolarHBondContact O-N 3.29Å; M191-T193 PolarHBondContact O-N 3.18Å; M191-G195 WeakPolarHBondContact CA-O 3.43Å; M191-G195 WeakPolarHBondContact O-CA 3.21Å; M191-G195 PolarHBondContact O-N 3.39Å; M191-G195 VanDerWaalsContact O-N 3.17Å; M191-L196 HydrophobicContact SD-CD1 4.17Å; M191-L223 HydrophobicContact CE-CD1 3.71Å; M191-L225 HydrophobicContact CE-CD1 4.03Å; M191-L225 HydrophobicContact SD-CD1 3.45Å; M191-L225 WeakPolarHBondContact SD-CD1 3.38Å; M191-L225 HydrophobicContact SD-CD2 4.01Å; M191-L225 HydrophobicContact SD-CG 4.38Å
192D96Very high97.2Very high95 Ų9520.7 Ų20.751%0.50812%0.118SC..Hα-helixtrans-67.4-16175.9-75.7-2.2000113.6F36 R47 M188 E189 L190F36-D192 WeakPolarHBondContact CE1-OD2 2.87Å; R47-D192 PolarHBondContact NH2-O 2.66Å; M188-D192 PolarHBondContact O-N 3.32Å; E189-D192 PolarHBondContact O-N 2.92Å; L190-D192 VanDerWaalsContact C-N 3.29Å; L190-D192 PolarHBondContact O-N 3.21Å
193T96.2Very high96.9Very high56 Ų5621 Ų2134%0.34412%0.12SC..Hα-helixtrans-107.5-48.4-173.7-51.70000112.8R47 V50 E189 L190 M191R47-T193 PolarHBondContact NH2-OG1 3.4Å; V50-T193 HydrophobicContact CB-CG2 4.43Å; V50-T193 HydrophobicContact CG2-CG2 3.95Å; E189-T193 WeakPolarHBondContact O-CB 3.3Å; E189-T193 PolarHBondContact O-N 3.33Å; E189-T193 VanDerWaalsContact O-N 3.09Å; E189-T193 PolarHBondContact O-OG1 2.85Å; L190-T193 PolarHBondContact O-N 3.12Å; M191-T193 PolarHBondContact O-N 3.18Å
194I96.6Very high96.1Very high32 Ų3221.1 Ų21.116%0.16412%0.122CC..Hα-helixtrans-128.16.2-172.459.6156.1000113.2V50 V52 D66 L190 K333 V335V50-I194 HydrophobicContact CB-CG2 3.99Å; V50-I194 HydrophobicContact CG1-CD1 4.13Å; V50-I194 HydrophobicContact CG1-CG2 3.85Å; V50-I194 HydrophobicContact CG2-CG2 4.25Å; V52-I194 HydrophobicContact CG1-CG2 4.03Å; D66-I194 HydrophobicContact CB-CD1 4.27Å; D66-I194 VanDerWaalsContact OD2-CD1 3.23Å; D66-I194 WeakPolarHBondContact OD2-CD1 3.41Å; L190-I194 HydrophobicContact CD2-CD1 4.08Å; L190-I194 HydrophobicContact CD2-CG1 4.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.4Å; L190-I194 PolarHBondContact O-N 2.87Å; I194-K333 PolarHBondContact O-NZ 2.74Å; I194-V335 HydrophobicContact CD1-CG2 3.69Å
195G96.1Very high94.7Very high33 Ų3321.8 Ų21.834%0.3413%0.128SC..  trans78.7-169.4-173.200000113.5M191 P197M191-G195 WeakPolarHBondContact CA-O 3.43Å; M191-G195 WeakPolarHBondContact O-CA 3.21Å; M191-G195 PolarHBondContact O-N 3.39Å; M191-G195 VanDerWaalsContact O-N 3.17Å; G195-P197 WeakPolarHBondContact O-CD 3.38Å
196L96Very high92.4Very high76 Ų7622.9 Ų22.940%0.39814%0.135SC..  trans-71.4121.1-175.9-175.966.2000111.1M191 L225 P226 T227M191-L196 HydrophobicContact SD-CD1 4.17Å; L196-L225 HydrophobicContact CD1-CB 4.17Å; L196-L225 HydrophobicContact CD1-CD1 3.94Å; L196-L225 HydrophobicContact CD1-CD2 3.85Å; L196-L225 HydrophobicContact CD1-CG 4.19Å; L196-P226 HydrophobicContact CD2-CG 3.97Å; L196-T227 VanDerWaalsContact CD1-OG1 3.23Å; L196-T227 WeakPolarHBondContact CD1-OG1 3.27Å
197P97.2Very high90.1Very high0 Ų025.8 Ų25.80%015%0.148CC..  trans-80.5146.5168.932.6-34000111.2L187 G195 V200 T227 V335L187-P197 HydrophobicContact CD1-CG 4.17Å; G195-P197 WeakPolarHBondContact O-CD 3.38Å; P197-V200 HydrophobicContact CB-CG2 4.18Å; P197-V200 HydrophobicContact CG-CG2 3.62Å; P197-T227 HydrophobicContact CG-CG2 4.04Å; P197-T227 WeakPolarHBondContact O-CB 3.33Å; P197-T227 WeakPolarHBondContact O-CG2 3.26Å; P197-T227 PolarHBondContact O-OG1 2.98Å; P197-V335 HydrophobicContact CB-CB 4.41Å; P197-V335 HydrophobicContact CB-CG2 3.58Å; P197-V335 HydrophobicContact CG-CG2 4.3Å
198D97.7Very high87.6Confident65 Ų6526.7 Ų26.735%0.34816%0.155SC..SBendtrans-74.7-38172.6-61.1-51.1000110.5T227 K228 E332 K333D198-T227 WeakPolarHBondContact O-CA 3.2Å; D198-K228 PolarHBondContact O-N 3.42Å; D198-E332 HydrophobicContact CB-CB 3.87Å; D198-E332 VanDerWaalsContact CB-OE2 3.27Å; D198-E332 WeakPolarHBondContact CB-OE2 3.26Å; D198-K333 PolarHBondContact N-O 3.1Å; D198-K333 VanDerWaalsContact OD2-CB 3.25Å; D198-K333 WeakPolarHBondContact OD2-CB 3.49Å; D198-K333 PolarHBondContact OD2-N 2.78Å
199V98.3Very high85.3Confident0 Ų026.2 Ų26.20%016%0.157CC..EExtended strand (participates in β ladder)trans-136.2135.6-177.8-174.60000111V201 K228 F230 C329 E332 K333 V334 V335V199-V201 HydrophobicContact CG1-CG2 4.07Å; V199-K228 CarbonylContact C-O 3.59Å; V199-K228 WeakPolarHBondContact CA-O 3.14Å; V199-K228 HydrophobicContact CG2-CB 4.39Å; V199-K228 HydrophobicContact CG2-CD 4.48Å; V199-F230 HydrophobicContact CG1-CD2 3.58Å; V199-F230 HydrophobicContact CG1-CE2 3.92Å; V199-C329 HydrophobicContact CG2-CB 4.22Å; V199-E332 HydrophobicContact CG2-CB 4.09Å; V199-E332 HydrophobicContact CG2-CG 4.42Å; V199-K333 PolarHBondContact N-O 3.34Å; V199-K333 VanDerWaalsContact N-O 3.13Å; V199-V334 HydrophobicContact CB-CG1 4.4Å; V199-V334 HydrophobicContact CB-CG2 4.19Å; V199-V334 HydrophobicContact CG1-CG1 4.42Å; V199-V334 CarbonylContact O-C 3.47Å; V199-V334 WeakPolarHBondContact O-CA 3.29Å; V199-V335 PolarHBondContact O-N 3.28Å
200V98.3Very high83.6Confident0 Ų026.4 Ų26.40%016%0.159CC..EExtended strand (participates in β ladder)trans-118.1126.8169-175.70000109.7L187 P197 V202 I216 T227 K228 V229 F230 V335 I337L187-V200 HydrophobicContact CD1-CG2 4.19Å; P197-V200 HydrophobicContact CB-CG2 4.18Å; P197-V200 HydrophobicContact CG-CG2 3.62Å; V200-V202 HydrophobicContact CG1-CG2 3.89Å; V200-I216 HydrophobicContact CB-CG2 4.34Å; V200-I216 HydrophobicContact CG1-CG2 3.96Å; V200-T227 HydrophobicContact CG2-CG2 3.72Å; V200-K228 PolarHBondContact N-O 3.3Å; V200-V229 WeakPolarHBondContact O-CA 3.43Å; V200-F230 PolarHBondContact O-N 3.42Å; V200-V335 CarbonylContact C-O 3.57Å; V200-V335 WeakPolarHBondContact CA-O 3.03Å; V200-V335 HydrophobicContact CG2-CB 4.5Å; V200-I337 HydrophobicContact CG1-CD1 3.82Å; V200-I337 HydrophobicContact CG1-CG1 3.77Å
201V97.6Very high83.1Confident0 Ų026.6 Ų26.60%016%0.161CC..EExtended strand (participates in β ladder)trans-111.7124.8-178.6-170.90000109.4V199 F230 V232 P317 L326 V334 V335 I337V199-V201 HydrophobicContact CG1-CG2 4.07Å; V201-F230 WeakPolarHBondContact CA-O 3.02Å; V201-V232 HydrophobicContact CG1-CG2 3.58Å; V201-P317 HydrophobicContact CB-CB 4.03Å; V201-P317 HydrophobicContact CG1-CB 3.74Å; V201-P317 HydrophobicContact CG1-CG 4.24Å; V201-P317 WeakPolarHBondContact O-CG 3.21Å; V201-L326 HydrophobicContact CB-CD1 4.37Å; V201-L326 HydrophobicContact CG1-CD1 3.73Å; V201-L326 HydrophobicContact CG2-CD1 3.66Å; V201-V334 HydrophobicContact CG2-CG1 3.7Å; V201-V335 PolarHBondContact N-O 2.82Å; V201-I337 PolarHBondContact O-N 2.95Å
202V95.1Very high82.9Confident0 Ų024.1 Ų24.10%015%0.149CC..EExtended strand (participates in β ladder)trans-129135.6-166.5-169.70000110.5V200 A204 L212 L213 I216 V229 F230 G231 V232 I337V200-V202 HydrophobicContact CG1-CG2 3.89Å; V202-A204 PolarHBondContact O-N 2.96Å; V202-L212 HydrophobicContact CG1-CB 4.26Å; V202-L212 HydrophobicContact CG1-CD2 3.63Å; V202-L212 HydrophobicContact CG1-CG 3.53Å; V202-L213 HydrophobicContact CB-CB 4.4Å; V202-L213 HydrophobicContact CB-CD1 4.06Å; V202-L213 HydrophobicContact CG1-CB 4.15Å; V202-L213 HydrophobicContact CG2-CD1 4.29Å; V202-I216 HydrophobicContact CG1-CD1 4.34Å; V202-I216 HydrophobicContact CG2-CD1 3.85Å; V202-I216 HydrophobicContact CG2-CG2 4.46Å; V202-V229 HydrophobicContact CG2-CG1 4.1Å; V202-F230 PolarHBondContact N-O 3.37Å; V202-G231 CarbonylContact O-C 3.44Å; V202-G231 WeakPolarHBondContact O-CA 3.31Å; V202-V232 PolarHBondContact O-N 2.87Å; V202-I337 HydrophobicContact CG2-CG1 3.97Å
203P90.2Very high82.7Confident6 Ų619.7 Ų19.74%0.03913%0.125CC..EExtended strand (participates in β ladder)trans-58.3125.4168-17.228.5000110.8F313 P317 I337P203-F313 HydrophobicContact CB-CD1 3.89Å; P203-F313 HydrophobicContact CB-CE1 3.4Å; P203-F313 HydrophobicContact CB-CE2 4.41Å; P203-F313 HydrophobicContact CB-CZ 3.68Å; P203-F313 WeakPolarHBondContact CB-O 3.33Å; P203-P317 VanDerWaalsContact CD-CG 3.49Å; P203-P317 HydrophobicContact CG-CG 3.88Å; P203-I337 WeakPolarHBondContact CD-O 3.36Å
204A79.9Confident82.5Confident5 Ų517 Ų174%0.04111%0.108CC..  trans-108.5120.1179.800000109.7V202 L213 V232 F313V202-A204 PolarHBondContact O-N 2.96Å; A204-L213 HydrophobicContact CB-CD2 3.88Å; A204-V232 PolarHBondContact N-O 3.06Å; A204-F313 VanDerWaalsContact O-CE2 3.28Å; A204-F313 WeakPolarHBondContact O-CE2 3.25Å; A204-F313 WeakPolarHBondContact O-CZ 3.27Å
205G67.3Low82.5Confident13 Ų1315.5 Ų15.513%0.13410%0.101CC..  trans-65.6160.9176.600000110.5
206P51.3Low82.5Confident23 Ų2313.9 Ų13.915%0.1498%0.084CC..G310 helixtrans-52.7144.8171.328.1-39.1000110.6G209 V256 M264P206-G209 PolarHBondContact O-N 2.88Å; P206-V256 HydrophobicContact CB-CG2 3.71Å; P206-V256 HydrophobicContact CG-CG2 3.59Å; P206-M264 HydrophobicContact CG-CB 3.73Å; P206-M264 HydrophobicContact CG-CE 4.21Å; P206-M264 HydrophobicContact CG-CG 3.76Å
207F50Low82.5Confident61 Ų6110.3 Ų10.327%0.2687%0.065SC..G310 helixtrans6531.7176.6-56.4-85.1000117G209 V253 V272F207-G209 PolarHBondContact O-N 2.91Å; F207-V253 HydrophobicContact CE1-CB 4.2Å; F207-V253 HydrophobicContact CE1-CG1 4.08Å; F207-V253 HydrophobicContact CE1-CG2 4.3Å; F207-V253 HydrophobicContact CZ-CG1 4.39Å; F207-V272 HydrophobicContact CB-CG1 4.27Å; F207-V272 HydrophobicContact CB-CG2 4.17Å; F207-V272 HydrophobicContact CD1-CG2 4.29Å; F207-V272 HydrophobicContact CG-CG2 4.14Å
208A46.2Very low82.4Confident19 Ų1910.3 Ų10.316%0.1577%0.065CC..G310 helixtrans56.318.2-176.300000114G210 T276 F277 C280A208-G210 PolarHBondContact O-N 3.18Å; A208-T276 VanDerWaalsContact O-CB 3.29Å; A208-T276 WeakPolarHBondContact O-CB 3.46Å; A208-T276 PolarHBondContact O-OG1 3.28Å; A208-F277 HydrophobicContact CB-CD2 4.04Å; A208-C280 HydrophobicContact CB-CB 3.8Å
209G48.9Very low82.3Confident13 Ų137.2 Ų7.213%0.1345%0.049CC..  trans-69.515.1173.900000113.9P206 F207 G211P206-G209 PolarHBondContact O-N 2.88Å; F207-G209 PolarHBondContact O-N 2.91Å; G209-G211 VanDerWaalsContact C-N 3.27Å; G209-G211 PolarHBondContact O-N 2.82Å
210G63.1Low82.3Confident5 Ų57.2 Ų7.25%0.0525%0.049CC..  trans-76.276.5-17900000110.3A208 L212 L213 C214A208-G210 PolarHBondContact O-N 3.18Å; G210-L212 PolarHBondContact O-N 3.07Å; G210-L213 WeakPolarHBondContact O-CB 3.39Å; G210-L213 PolarHBondContact O-N 2.8Å; G210-C214 WeakPolarHBondContact O-CB 3.42Å; G210-C214 PolarHBondContact O-N 3.05Å; G210-C214 PolarHBondContact O-SG 2.82Å
211G86.5Confident82.1Confident4 Ų47.8 Ų7.84%0.0415%0.051CC..Hα-helixtrans-51.1-33.2171.300000111.8Y183 G209 G215Y183-G211 WeakPolarHBondContact CD2-O 3.34Å; G209-G211 VanDerWaalsContact C-N 3.27Å; G209-G211 PolarHBondContact O-N 2.82Å; G211-G215 PolarHBondContact O-N 3.45Å
212L92.6Very high82Confident1 Ų17.8 Ų7.81%0.0055%0.051CC..Hα-helixtrans-63.2-53.6172-179.460.5000112.8Y78 Y183 I186 V202 G210 G215 I216 I337Y78-L212 HydrophobicContact CD1-CD2 3.88Å; Y78-L212 HydrophobicContact CD2-CB 4.1Å; Y78-L212 HydrophobicContact CD2-CD1 3.82Å; Y78-L212 HydrophobicContact CD2-CD2 4.13Å; Y78-L212 HydrophobicContact CD2-CG 4.22Å; Y78-L212 HydrophobicContact CE1-CD2 3.87Å; Y78-L212 HydrophobicContact CE2-CB 3.64Å; Y78-L212 HydrophobicContact CE2-CD1 4.26Å; Y78-L212 HydrophobicContact CE2-CD2 4.13Å; Y78-L212 HydrophobicContact CE2-CG 4.21Å; Y78-L212 HydrophobicContact CG-CD1 4.13Å; Y78-L212 HydrophobicContact CG-CD2 4.02Å; Y183-L212 HydrophobicContact CG-CD1 4.46Å; I186-L212 HydrophobicContact CD1-CD1 3.35Å; V202-L212 HydrophobicContact CG1-CB 4.26Å; V202-L212 HydrophobicContact CG1-CD2 3.63Å; V202-L212 HydrophobicContact CG1-CG 3.53Å; G210-L212 PolarHBondContact O-N 3.07Å; L212-G215 PolarHBondContact O-N 3.34Å; L212-I216 HydrophobicContact CD1-CD1 3.84Å; L212-I216 HydrophobicContact CD1-CG1 4.45Å; L212-I216 HydrophobicContact CG-CD1 4.24Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 2.62Å; L212-I337 HydrophobicContact CD2-CG2 4.07Å
213L92.7Very high82Confident1 Ų19.4 Ų9.41%0.0056%0.059CC..Hα-helixtrans-57.6-50.6177.7171.263.7000110.7V202 A204 G210 G215 I216 A217 V229 V284V202-L213 HydrophobicContact CB-CB 4.4Å; V202-L213 HydrophobicContact CB-CD1 4.06Å; V202-L213 HydrophobicContact CG1-CB 4.15Å; V202-L213 HydrophobicContact CG2-CD1 4.29Å; A204-L213 HydrophobicContact CB-CD2 3.88Å; G210-L213 WeakPolarHBondContact O-CB 3.39Å; G210-L213 PolarHBondContact O-N 2.8Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 2.87Å; L213-I216 PolarHBondContact O-N 3.13Å; L213-A217 VanDerWaalsContact O-CB 3.26Å; L213-A217 WeakPolarHBondContact O-CB 3.43Å; L213-A217 PolarHBondContact O-N 3Å; L213-V229 HydrophobicContact CD1-CG1 3.69Å; L213-V284 HydrophobicContact CD1-CG1 4.17Å; L213-V284 HydrophobicContact CD1-CG2 3.91Å; L213-V284 HydrophobicContact CD2-CG1 4.23Å; L213-V284 HydrophobicContact CD2-CG2 3.99Å; L213-V284 HydrophobicContact CG-CG2 3.72Å
214C92Very high82.2Confident0 Ų014.2 Ų14.20%08%0.082CC..Hα-helixtrans-62.4-41.6-179.7-63.60000111.5V180 G210 A217 L218 T276 I279V180-C214 HydrophobicContact CG1-CB 3.97Å; G210-C214 WeakPolarHBondContact O-CB 3.42Å; G210-C214 PolarHBondContact O-N 3.05Å; G210-C214 PolarHBondContact O-SG 2.82Å; C214-A217 PolarHBondContact O-N 3.29Å; C214-L218 WeakPolarHBondContact O-CB 3.48Å; C214-L218 PolarHBondContact O-N 3.09Å; C214-T276 PolarHBondContact SG-O 3.44Å; C214-I279 HydrophobicContact CB-CB 4.08Å; C214-I279 HydrophobicContact CB-CG2 3.62Å
215G95Very high83Confident0 Ų015.3 Ų15.30%09%0.086CC..Hα-helixtrans-61.7-46.817800000112V180 G184 G211 L212 L213 A219V180-G215 VanDerWaalsContact O-CA 3.22Å; V180-G215 WeakPolarHBondContact O-CA 3.32Å; G184-G215 WeakPolarHBondContact CA-O 3.37Å; G211-G215 PolarHBondContact O-N 3.45Å; L212-G215 PolarHBondContact O-N 3.34Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 2.87Å; G215-A219 WeakPolarHBondContact O-CB 3.34Å; G215-A219 PolarHBondContact O-N 2.88Å
216I96.9Very high84.3Confident0 Ų018.6 Ų18.60%011%0.106CC..Hα-helixtrans-67.3-45.7178.6-68.4172.6000111I186 L187 V200 V202 L212 L213 A219 A220 V229 I337I186-I216 HydrophobicContact CB-CD1 4.4Å; I186-I216 HydrophobicContact CB-CG1 4.45Å; I186-I216 HydrophobicContact CG2-CD1 4.27Å; L187-I216 HydrophobicContact CB-CG2 4.45Å; V200-I216 HydrophobicContact CB-CG2 4.34Å; V200-I216 HydrophobicContact CG1-CG2 3.96Å; V202-I216 HydrophobicContact CG1-CD1 4.34Å; V202-I216 HydrophobicContact CG2-CD1 3.85Å; V202-I216 HydrophobicContact CG2-CG2 4.46Å; L212-I216 HydrophobicContact CD1-CD1 3.84Å; L212-I216 HydrophobicContact CD1-CG1 4.45Å; L212-I216 HydrophobicContact CG-CD1 4.24Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 2.62Å; L213-I216 PolarHBondContact O-N 3.13Å; I216-A219 PolarHBondContact O-N 3.4Å; I216-A220 PolarHBondContact O-N 2.94Å; I216-V229 HydrophobicContact CG2-CG1 3.93Å; I216-V229 HydrophobicContact CG2-CG2 4.09Å; I216-I337 HydrophobicContact CD1-CD1 4.26Å; I216-I337 HydrophobicContact CD1-CG1 3.9Å
217A94.8Very high86.5Confident0 Ų017.5 Ų17.50%010%0.099CC..Hα-helixtrans-62.8-49.8179.300000111.7L213 C214 A219 A220 R221 V229 C283 V284L213-A217 VanDerWaalsContact O-CB 3.26Å; L213-A217 WeakPolarHBondContact O-CB 3.43Å; L213-A217 PolarHBondContact O-N 3Å; C214-A217 PolarHBondContact O-N 3.29Å; A217-A219 VanDerWaalsContact C-N 3.32Å; A217-A219 PolarHBondContact O-N 2.94Å; A217-A220 WeakPolarHBondContact O-CB 3.01Å; A217-A220 PolarHBondContact O-N 3.43Å; A217-A220 VanDerWaalsContact O-N 3.11Å; A217-R221 WeakPolarHBondContact O-CG 2.9Å; A217-R221 PolarHBondContact O-N 2.8Å; A217-V229 HydrophobicContact CB-CB 4.14Å; A217-V229 HydrophobicContact CB-CG1 4.1Å; A217-V229 HydrophobicContact CB-CG2 4.44Å; A217-C283 HydrophobicContact CB-CB 3.79Å; A217-V284 HydrophobicContact CB-CG2 3.67Å
218L95.3Very high88.7Confident0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-62.4-40.1177.3-17953.6000111.4L22 W26 F27 C214 A220 R221 L222 I279L22-L218 HydrophobicContact CB-CD1 3.95Å; L22-L218 HydrophobicContact CD1-CD1 4.02Å; L22-L218 HydrophobicContact CD2-CD1 4.16Å; L22-L218 HydrophobicContact CG-CD1 4.26Å; W26-L218 HydrophobicContact CB-CD2 3.6Å; W26-L218 HydrophobicContact CG-CD2 3.96Å; F27-L218 HydrophobicContact CD1-CD2 3.86Å; F27-L218 HydrophobicContact CE1-CD2 3.32Å; F27-L218 HydrophobicContact CE1-CG 4.12Å; F27-L218 HydrophobicContact CE2-CD2 4.18Å; F27-L218 HydrophobicContact CE2-CG 4.21Å; F27-L218 HydrophobicContact CG-CD2 4.49Å; F27-L218 HydrophobicContact CZ-CB 4.23Å; F27-L218 HydrophobicContact CZ-CD2 3.49Å; F27-L218 VanDerWaalsContact CZ-CD2 3.49Å; F27-L218 HydrophobicContact CZ-CG 3.74Å; C214-L218 WeakPolarHBondContact O-CB 3.48Å; C214-L218 PolarHBondContact O-N 3.09Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 2.93Å; L218-R221 PolarHBondContact O-N 3.03Å; L218-L222 HydrophobicContact CD1-CD1 4.06Å; L218-L222 HydrophobicContact CD1-CD2 4.33Å; L218-L222 HydrophobicContact CD1-CG 3.88Å; L218-L222 HydrophobicContact CG-CD1 3.93Å; L218-L222 HydrophobicContact CG-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CB 3.02Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.19Å; L218-I279 HydrophobicContact CB-CG2 3.95Å; L218-I279 HydrophobicContact CD2-CD1 4.13Å; L218-I279 HydrophobicContact CD2-CG1 4.43Å; L218-I279 HydrophobicContact CD2-CG2 4.34Å
219A97.3Very high91.1Very high0 Ų016.1 Ų16.10%09%0.089CC..Hα-helixtrans-58.8-44.1172.800000112L32 L187 G215 I216 A217 R221 L222 L223L32-A219 HydrophobicContact CD1-CB 4.46Å; L32-A219 HydrophobicContact CD2-CB 3.68Å; L187-A219 HydrophobicContact CB-CB 4.44Å; L187-A219 HydrophobicContact CD2-CB 4.13Å; G215-A219 WeakPolarHBondContact O-CB 3.34Å; G215-A219 PolarHBondContact O-N 2.88Å; I216-A219 PolarHBondContact O-N 3.4Å; A217-A219 VanDerWaalsContact C-N 3.32Å; A217-A219 PolarHBondContact O-N 2.94Å; A219-R221 VanDerWaalsContact C-N 3.3Å; A219-R221 PolarHBondContact O-N 3.45Å; A219-L222 PolarHBondContact O-N 2.53Å; A219-L223 HydrophobicContact CB-CD1 4.46Å; A219-L223 VanDerWaalsContact O-CB 3.23Å; A219-L223 WeakPolarHBondContact O-CB 3.18Å; A219-L223 WeakPolarHBondContact O-CD1 3.36Å; A219-L223 VanDerWaalsContact O-CG 3.24Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 2.92Å
220A96.8Very high93.2Very high0 Ų016.7 Ų16.70%09%0.087CC..Hα-helixtrans-59.8-40.9176.900000111.9L187 I216 A217 L218 E224 L225 V229L187-A220 HydrophobicContact CD2-CB 3.65Å; I216-A220 PolarHBondContact O-N 2.94Å; A217-A220 WeakPolarHBondContact O-CB 3.01Å; A217-A220 PolarHBondContact O-N 3.43Å; A217-A220 VanDerWaalsContact O-N 3.11Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 2.93Å; A220-E224 PolarHBondContact O-N 3.12Å; A220-L225 PolarHBondContact O-N 3.03Å; A220-V229 HydrophobicContact CB-CG2 4.17Å
221R95.3Very high94.6Very high13 Ų1316.4 Ų16.45%0.0499%0.085CC..Hα-helixtrans-68.9-48.8176.7-58-57.3132.3-120.13.9112M14 L22 A217 L218 A219 L223 E224 L225 T227 C283 D285M14-R221 VanDerWaalsContact CE-C 3.49Å; M14-R221 VanDerWaalsContact CE-CA 3.48Å; M14-R221 HydrophobicContact CE-CB 3.62Å; M14-R221 HydrophobicContact CE-CG 4.37Å; M14-R221 WeakPolarHBondContact CE-O 3.46Å; M14-R221 HydrophobicContact SD-CB 3.86Å; M14-R221 WeakPolarHBondContact SD-CD 3.45Å; M14-R221 HydrophobicContact SD-CG 3.99Å; L22-R221 HydrophobicContact CD1-CB 3.58Å; L22-R221 HydrophobicContact CD1-CG 4.26Å; A217-R221 WeakPolarHBondContact O-CG 2.9Å; A217-R221 PolarHBondContact O-N 2.8Å; L218-R221 PolarHBondContact O-N 3.03Å; A219-R221 VanDerWaalsContact C-N 3.3Å; A219-R221 PolarHBondContact O-N 3.45Å; R221-L223 VanDerWaalsContact C-N 3.28Å; R221-L223 PolarHBondContact O-N 2.92Å; R221-E224 WeakPolarHBondContact O-CA 3.14Å; R221-E224 PolarHBondContact O-N 2.96Å; R221-L225 PolarHBondContact NH1-O 3.07Å; R221-T227 PolarHBondContact NH2-O 3.44Å; R221-C283 HydrophobicContact CG-CB 3.83Å; R221-C283 PolarHBondContact NE-O 3.06Å; R221-D285 IonicContact NH2-OD1 3.25Å; R221-D285 IonicContact NH2-OD2 2.69Å; R221-D285 PolarHBondContact NH2-OD2 2.79Å; R221-D285 VanDerWaalsContact NH2-OD2 3.1Å
222L95.4Very high94.8Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-62.8-34179.6-68.8176000113.3K19 L22 E23 F27 L218 A219K19-L222 WeakPolarHBondContact CE-O 3.27Å; K19-L222 PolarHBondContact NZ-O 3.42Å; L22-L222 HydrophobicContact CB-CD2 4.09Å; E23-L222 HydrophobicContact CG-CD2 3.43Å; E23-L222 VanDerWaalsContact CG-CD2 3.43Å; F27-L222 HydrophobicContact CD2-CD1 3.64Å; F27-L222 HydrophobicContact CE2-CD1 3.42Å; F27-L222 VanDerWaalsContact CE2-CD1 3.42Å; F27-L222 HydrophobicContact CZ-CD1 4.33Å; F27-L222 VanDerWaalsContact O-CD1 3.27Å; F27-L222 WeakPolarHBondContact O-CD1 3.47Å; L218-L222 HydrophobicContact CD1-CD1 4.06Å; L218-L222 HydrophobicContact CD1-CD2 4.33Å; L218-L222 HydrophobicContact CD1-CG 3.88Å; L218-L222 HydrophobicContact CG-CD1 3.93Å; L218-L222 HydrophobicContact CG-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CB 3.02Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.19Å; A219-L222 PolarHBondContact O-N 2.53Å
223L95.1Very high94.5Very high33 Ų3317.7 Ų17.717%0.1739%0.09CC..THydrogen-bonded Turntrans-82.8-0.5175.6-66.6163.8000113I29 L32 M188 M191 A219 R221 L225I29-L223 HydrophobicContact CD1-CD2 3.9Å; I29-L223 HydrophobicContact CG1-CD2 4.23Å; L32-L223 HydrophobicContact CD2-CD1 4.27Å; L32-L223 HydrophobicContact CD2-CG 4.41Å; M188-L223 HydrophobicContact CG-CD1 4.12Å; M191-L223 HydrophobicContact CE-CD1 3.71Å; A219-L223 HydrophobicContact CB-CD1 4.46Å; A219-L223 VanDerWaalsContact O-CB 3.23Å; A219-L223 WeakPolarHBondContact O-CB 3.18Å; A219-L223 WeakPolarHBondContact O-CD1 3.36Å; A219-L223 VanDerWaalsContact O-CG 3.24Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 2.92Å; R221-L223 VanDerWaalsContact C-N 3.28Å; R221-L223 PolarHBondContact O-N 2.92Å; L223-L225 VanDerWaalsContact C-N 3.27Å; L223-L225 HydrophobicContact CB-CD1 3.88Å; L223-L225 HydrophobicContact CB-CD2 4.22Å; L223-L225 HydrophobicContact CB-CG 3.66Å; L223-L225 HydrophobicContact CD1-CD1 4.14Å; L223-L225 PolarHBondContact O-N 3.01Å
224E94.4Very high94Very high108 Ų10818.7 Ų18.751%0.50510%0.096SC..THydrogen-bonded Turntrans55.739.8180-62.3172.397.600112.9K19 A220 R221K19-E224 HydrophobicContact CD-CG 3.92Å; K19-E224 WeakPolarHBondContact CD-OE2 3.23Å; K19-E224 IonicContact NZ-OE2 2.75Å; K19-E224 PolarHBondContact NZ-OE2 2.94Å; A220-E224 PolarHBondContact O-N 3.12Å; R221-E224 WeakPolarHBondContact O-CA 3.14Å; R221-E224 PolarHBondContact O-N 2.96Å
225L95.2Very high93.2Very high27 Ų2719 Ų1914%0.14110%0.098CC..  trans-87.1141.9-177.9-57.2178.1000111.6L187 M191 L196 A220 R221 L223 T227L187-L225 HydrophobicContact CD2-CD1 3.94Å; L187-L225 HydrophobicContact CG-CD1 4.33Å; M191-L225 HydrophobicContact CE-CD1 4.03Å; M191-L225 HydrophobicContact SD-CD1 3.45Å; M191-L225 WeakPolarHBondContact SD-CD1 3.38Å; M191-L225 HydrophobicContact SD-CD2 4.01Å; M191-L225 HydrophobicContact SD-CG 4.38Å; L196-L225 HydrophobicContact CD1-CB 4.17Å; L196-L225 HydrophobicContact CD1-CD1 3.94Å; L196-L225 HydrophobicContact CD1-CD2 3.85Å; L196-L225 HydrophobicContact CD1-CG 4.19Å; A220-L225 PolarHBondContact O-N 3.03Å; R221-L225 PolarHBondContact NH1-O 3.07Å; L223-L225 VanDerWaalsContact C-N 3.27Å; L223-L225 HydrophobicContact CB-CD1 3.88Å; L223-L225 HydrophobicContact CB-CD2 4.22Å; L223-L225 HydrophobicContact CB-CG 3.66Å; L223-L225 HydrophobicContact CD1-CD1 4.14Å; L223-L225 PolarHBondContact O-N 3.01Å; L225-T227 PolarHBondContact O-N 3.35Å
226P95.1Very high92Very high83 Ų8321 Ų2154%0.53911%0.111SC..  trans-72.6-8.417332.4-36.4000113.1L196 K228L196-P226 HydrophobicContact CD2-CG 3.97Å; P226-K228 PolarHBondContact O-N 2.87Å
227T97.2Very high90.7Very high0 Ų022.5 Ų22.50%012%0.121CC..  trans-50.7126.4179.2-57.10000111.7L196 P197 D198 V200 R221 L225L196-T227 VanDerWaalsContact CD1-OG1 3.23Å; L196-T227 WeakPolarHBondContact CD1-OG1 3.27Å; P197-T227 HydrophobicContact CG-CG2 4.04Å; P197-T227 WeakPolarHBondContact O-CB 3.33Å; P197-T227 WeakPolarHBondContact O-CG2 3.26Å; P197-T227 PolarHBondContact O-OG1 2.98Å; D198-T227 WeakPolarHBondContact O-CA 3.2Å; V200-T227 HydrophobicContact CG2-CG2 3.72Å; R221-T227 PolarHBondContact NH2-O 3.44Å; L225-T227 PolarHBondContact O-N 3.35Å
228K96.5Very high89.1Confident50 Ų5031.9 Ų31.922%0.21717%0.165CC..EExtended strand (participates in β ladder)trans-85.3138.8172.8-61.3167.3-171.3154.80109.9D198 V199 V200 P226 F230 D285 E332D198-K228 PolarHBondContact O-N 3.42Å; V199-K228 CarbonylContact C-O 3.59Å; V199-K228 WeakPolarHBondContact CA-O 3.14Å; V199-K228 HydrophobicContact CG2-CB 4.39Å; V199-K228 HydrophobicContact CG2-CD 4.48Å; V200-K228 PolarHBondContact N-O 3.3Å; P226-K228 PolarHBondContact O-N 2.87Å; K228-F230 HydrophobicContact CB-CD2 4.45Å; K228-F230 HydrophobicContact CB-CE2 3.86Å; K228-F230 HydrophobicContact CD-CE2 4.38Å; K228-D285 VanDerWaalsContact CA-OD2 3.3Å; K228-D285 WeakPolarHBondContact CA-OD2 3.34Å; K228-D285 HydrophobicContact CB-CB 4.17Å; K228-E332 IonicContact NZ-OE1 3.39Å; K228-E332 PolarHBondContact NZ-OE1 3.27Å
229V96Very high87.2Confident0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-120.1116.6179-1730000110.2V200 V202 L213 I216 A217 A220 D285V200-V229 WeakPolarHBondContact O-CA 3.43Å; V202-V229 HydrophobicContact CG2-CG1 4.1Å; L213-V229 HydrophobicContact CD1-CG1 3.69Å; I216-V229 HydrophobicContact CG2-CG1 3.93Å; I216-V229 HydrophobicContact CG2-CG2 4.09Å; A217-V229 HydrophobicContact CB-CB 4.14Å; A217-V229 HydrophobicContact CB-CG1 4.1Å; A217-V229 HydrophobicContact CB-CG2 4.44Å; A220-V229 HydrophobicContact CB-CG2 4.17Å; V229-D285 PolarHBondContact N-OD2 3.09Å; V229-D285 PolarHBondContact O-N 3.22Å
230F94.3Very high85Confident25 Ų2536.3 Ų36.311%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-108.3134.4178.4-69.1-84.5000111.9V199 V200 V201 V202 K228 D285 G286 L326V199-F230 HydrophobicContact CG1-CD2 3.58Å; V199-F230 HydrophobicContact CG1-CE2 3.92Å; V200-F230 PolarHBondContact O-N 3.42Å; V201-F230 WeakPolarHBondContact CA-O 3.02Å; V202-F230 PolarHBondContact N-O 3.37Å; K228-F230 HydrophobicContact CB-CD2 4.45Å; K228-F230 HydrophobicContact CB-CE2 3.86Å; K228-F230 HydrophobicContact CD-CE2 4.38Å; F230-D285 HydrophobicContact CZ-CB 4.41Å; F230-G286 CarbonylContact C-O 3.54Å; F230-G286 VanDerWaalsContact CA-O 3.28Å; F230-G286 WeakPolarHBondContact CA-O 3.21Å; F230-L326 HydrophobicContact CB-CD2 4.32Å; F230-L326 HydrophobicContact CD1-CD2 4.15Å; F230-L326 HydrophobicContact CD2-CD2 4.33Å; F230-L326 HydrophobicContact CG-CD2 4.01Å
231G92.5Very high82.5Confident0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-88.8148.5169.100000112.3V202 G286 V287 V288V202-G231 CarbonylContact O-C 3.44Å; V202-G231 WeakPolarHBondContact O-CA 3.31Å; G231-G286 PolarHBondContact N-O 2.95Å; G231-V287 CarbonylContact O-C 3.54Å; G231-V287 VanDerWaalsContact O-CA 3.32Å; G231-V287 WeakPolarHBondContact O-CA 3.19Å; G231-V288 PolarHBondContact O-N 2.97Å
232V90.4Very high80.1Confident1 Ų152 Ų521%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-118.5110.9170.2-174.10000110.1V201 V202 A204 V288 V290 A320V201-V232 HydrophobicContact CG1-CG2 3.58Å; V202-V232 PolarHBondContact O-N 2.87Å; A204-V232 PolarHBondContact N-O 3.06Å; V232-V288 WeakPolarHBondContact CA-O 3.18Å; V232-V288 HydrophobicContact CG1-CG2 4.47Å; V232-V288 HydrophobicContact CG2-CG2 3.95Å; V232-V290 HydrophobicContact CG1-CB 4.43Å; V232-V290 HydrophobicContact CG1-CG1 3.92Å; V232-V290 HydrophobicContact CG1-CG2 3.68Å; V232-A320 HydrophobicContact CG1-CB 4.09Å; V232-A320 HydrophobicContact CG2-CB 3.6Å
233E86.3Confident77.8Confident30 Ų3053.4 Ų53.414%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-96.4158.4172.167.9172.8-156.800111.2V287 V288 S289 V290E233-V287 HydrophobicContact CB-CG1 4.17Å; E233-V287 HydrophobicContact CG-CG1 3.85Å; E233-V288 PolarHBondContact N-O 3.19Å; E233-S289 WeakPolarHBondContact CG-OG 3.28Å; E233-S289 WeakPolarHBondContact O-CA 3.36Å; E233-S289 PolarHBondContact OE1-OG 2.87Å; E233-V290 PolarHBondContact O-N 3.26Å
234V81.1Confident75.3Confident22 Ų2259.5 Ų59.513%0.13329%0.292CS..EExtended strand (participates in β ladder)trans-107.8132177.3-168.80000109.6A260 V290 E292 L295 F313V234-A260 HydrophobicContact CB-CB 4.39Å; V234-A260 HydrophobicContact CG1-CB 3.75Å; V234-A260 HydrophobicContact CG2-CB 4.44Å; V234-V290 WeakPolarHBondContact CA-O 3.32Å; V234-E292 HydrophobicContact CG1-CB 4.39Å; V234-L295 HydrophobicContact CB-CD1 4.23Å; V234-L295 HydrophobicContact CG1-CD1 3.87Å; V234-L295 HydrophobicContact CG1-CG 4.46Å; V234-L295 HydrophobicContact CG2-CD1 3.32Å; V234-L295 HydrophobicContact CG2-CD2 4.34Å; V234-L295 HydrophobicContact CG2-CG 4.15Å; V234-F313 HydrophobicContact CG2-CD2 4.19Å
235V77.1Confident72.6Confident8 Ų862.5 Ų62.55%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-111.3143.2169.4-66.10000110F243 V290 L291 E292V235-F243 HydrophobicContact CB-CD2 4.28Å; V235-F243 HydrophobicContact CB-CE2 4.4Å; V235-F243 HydrophobicContact CG1-CD2 4.19Å; V235-F243 HydrophobicContact CG1-CE2 4.19Å; V235-F243 HydrophobicContact CG1-CG 4.45Å; V235-V290 PolarHBondContact N-O 3.28Å; V235-L291 HydrophobicContact CG2-CD2 3.91Å; V235-E292 PolarHBondContact O-N 3.37Å
236P69.5Low69.9Low40 Ų4062.7 Ų62.726%0.2631%0.309SS..  trans-57.2141.8177.9-24.433.2000111.9E238 S239P236-E238 PolarHBondContact O-N 2.98Å; P236-S239 VanDerWaalsContact O-CB 3.28Å; P236-S239 WeakPolarHBondContact O-CB 3.33Å; P236-S239 PolarHBondContact O-N 3Å; P236-S239 PolarHBondContact O-OG 2.89Å
237S68.1Low67.1Low32 Ų3264.6 Ų64.622%0.22432%0.324CS..G310 helixtrans-56.9-35.9-177.2-55.10000113S239 D293S237-S239 PolarHBondContact O-N 2.96Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S237-D293 VanDerWaalsContact OG-CG 3.27Å; S237-D293 PolarHBondContact OG-OD1 3.39Å
238E62Low64.2Low198 Ų19867.7 Ų67.793%0.92535%0.346SS*.G310 helixtrans-67.3-12176.7-61-175.9176.500114.2P236 N240P236-E238 PolarHBondContact O-N 2.98Å; E238-N240 VanDerWaalsContact C-N 3.35Å
239S55.4Low61.4Low7 Ų768.4 Ų68.45%0.04935%0.351CS..G310 helixtrans-91.52.8-174.275.50000114.3P236 S237 E241 K242 F243P236-S239 VanDerWaalsContact O-CB 3.28Å; P236-S239 WeakPolarHBondContact O-CB 3.33Å; P236-S239 PolarHBondContact O-N 3Å; P236-S239 PolarHBondContact O-OG 2.89Å; S237-S239 PolarHBondContact O-N 2.96Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S239-E241 PolarHBondContact O-N 3.33Å; S239-K242 PolarHBondContact O-N 2.88Å; S239-F243 VanDerWaalsContact CB-CD2 3.5Å; S239-F243 PolarHBondContact O-N 3.43Å; S239-F243 VanDerWaalsContact OG-CD2 3.27Å; S239-F243 WeakPolarHBondContact OG-CD2 3.46Å
240N51.4Low58.4Low86 Ų8671.1 Ų71.146%0.4638%0.379SS..THydrogen-bonded Turntrans-53.5-28.6-174.5-115.8-19000114.9E238 K244 L291E238-N240 VanDerWaalsContact C-N 3.35Å; N240-K244 WeakPolarHBondContact O-CG 3.4Å; N240-L291 WeakPolarHBondContact ND2-CD1 3.49Å; N240-L291 VanDerWaalsContact OD1-CD2 3.28Å; N240-L291 WeakPolarHBondContact OD1-CD2 3.33Å
241E45.3Very low55.2Low171 Ų17172.5 Ų72.580%0.79939%0.392SS*.THydrogen-bonded Turntrans-84.4-30.2175.5-68.1-159.8152.800113.7S239S239-E241 PolarHBondContact O-N 3.33Å
242K44Very low52.2Low171 Ų17173.7 Ų73.774%0.74340%0.4SS*.THydrogen-bonded Turntrans-85.4-16-174.6-70.8-177180174.70113.8S239S239-K242 PolarHBondContact O-N 2.88Å
243F47.1Very low49.2Very low29 Ų2978.9 Ų78.913%0.12743%0.432CS..  trans-1146.7-172.9-78.5-67.1000116.1V235 S239 H245 C246 C252 R254V235-F243 HydrophobicContact CB-CD2 4.28Å; V235-F243 HydrophobicContact CB-CE2 4.4Å; V235-F243 HydrophobicContact CG1-CD2 4.19Å; V235-F243 HydrophobicContact CG1-CE2 4.19Å; V235-F243 HydrophobicContact CG1-CG 4.45Å; S239-F243 VanDerWaalsContact CB-CD2 3.5Å; S239-F243 PolarHBondContact O-N 3.43Å; S239-F243 VanDerWaalsContact OG-CD2 3.27Å; S239-F243 WeakPolarHBondContact OG-CD2 3.46Å; F243-H245 PolarHBondContact O-N 2.86Å; F243-C246 HydrophobicContact CD1-CB 4.03Å; F243-C246 PolarHBondContact O-N 3.25Å; F243-C246 VanDerWaalsContact O-N 3.16Å; F243-C252 VanDerWaalsContact CE1-SG 3.59Å; F243-R254 HydrophobicContact CE2-CG 4.46Å; F243-R254 HydrophobicContact CZ-CG 3.79Å
244K42.5Very low46.8Very low161 Ų16181.8 Ų81.870%0.744%0.441SS*.THydrogen-bonded Turntrans-56.5-8.7176-72.8-177.3178.6175.60114.4N240N240-K244 WeakPolarHBondContact O-CG 3.4Å
245H38.1Very low44.4Very low171 Ų17185.7 Ų85.779%0.79247%0.465SS*.THydrogen-bonded Turntrans-124.915.4-176.6-7211.2000114.5F243 S247F243-H245 PolarHBondContact O-N 2.86Å; H245-S247 PolarHBondContact O-N 3.1Å
246C37.5Very low42.5Very low31 Ų3186.3 Ų86.321%0.20947%0.469CS..  trans-82.271.7173.6-137.80000109.9F243 S251F243-C246 HydrophobicContact CD1-CB 4.03Å; F243-C246 PolarHBondContact O-N 3.25Å; F243-C246 VanDerWaalsContact O-N 3.16Å; C246-S251 VanDerWaalsContact SG-CB 3.55Å; C246-S251 PolarHBondContact SG-OG 2.85Å
247S37Very low41.1Very low124 Ų12491.4 Ų91.487%0.86749%0.494SS*.  trans-95.12.3177.147.20000113.3H245H245-S247 PolarHBondContact O-N 3.1Å
248S35.8Very low39.8Very low65 Ų6590.3 Ų90.346%0.45549%0.486SS..SBendtrans-113.1131.9-179.244.70000112G250 S251S248-G250 PolarHBondContact O-N 2.85Å; S248-G250 VanDerWaalsContact O-N 3.16Å; S248-S251 PolarHBondContact O-N 2.83Å; S248-S251 PolarHBondContact O-OG 3.25Å; S248-S251 PolarHBondContact OG-OG 2.79Å
249I39Very low38.8Very low65 Ų6584.1 Ų84.133%0.33346%0.456SS..THydrogen-bonded Turntrans-55119.1161.8-63.7172.4000107V287I249-V287 HydrophobicContact CG1-CG2 4.37Å
250G31.4Very low38.1Very low57 Ų5783.8 Ų83.859%0.58845%0.454SS*.THydrogen-bonded Turntrans112.2-2.1176.700000117.3S248S248-G250 PolarHBondContact O-N 2.85Å; S248-G250 VanDerWaalsContact O-N 3.16Å
251S27.4Very low37.7Very low53 Ų5379.9 Ų79.937%0.37144%0.435SS..  trans-99.4-1.8178.837.10000115.6C246 S248 V253C246-S251 VanDerWaalsContact SG-CB 3.55Å; C246-S251 PolarHBondContact SG-OG 2.85Å; S248-S251 PolarHBondContact O-N 2.83Å; S248-S251 PolarHBondContact O-OG 3.25Å; S248-S251 PolarHBondContact OG-OG 2.79Å; S251-V253 PolarHBondContact O-N 3.28Å
252C30.6Very low38.2Very low25 Ų2572.9 Ų72.917%0.16941%0.408CS..  trans-97.779.1178.7-147.80000111.4F243F243-C252 VanDerWaalsContact CE1-SG 3.59Å
253V27.4Very low38.5Very low111 Ų11166 Ų6667%0.67338%0.379SS*.  trans-89.892163.6177.70000107.4F207 S251F207-V253 HydrophobicContact CE1-CB 4.2Å; F207-V253 HydrophobicContact CE1-CG1 4.08Å; F207-V253 HydrophobicContact CE1-CG2 4.3Å; F207-V253 HydrophobicContact CZ-CG1 4.39Å; S251-V253 PolarHBondContact O-N 3.28Å
254R34.9Very low38.7Very low91 Ų9166.9 Ų66.934%0.34338%0.384SS..  trans-144.6127.7167-71-159.4-170.5162.413.2113.2F243 V256F243-R254 HydrophobicContact CE2-CG 4.46Å; F243-R254 HydrophobicContact CZ-CG 3.79Å; R254-V256 PolarHBondContact O-N 3.13Å
255T31.6Very low39.1Very low103 Ų10362.9 Ų62.963%0.63237%0.366SS*.  trans-48.9118.3160.131.50000110.4D257T255-D257 PolarHBondContact O-N 3.27Å
256V36.2Very low39.6Very low21 Ų2155.7 Ų55.713%0.12734%0.339CS..  trans-93.179.5170.2-109.50000108.9P206 R254 S258P206-V256 HydrophobicContact CB-CG2 3.71Å; P206-V256 HydrophobicContact CG-CG2 3.59Å; R254-V256 PolarHBondContact O-N 3.13Å; V256-S258 WeakPolarHBondContact CG1-OG 3.45Å; V256-S258 PolarHBondContact O-N 3.1Å
257D39.8Very low40.2Very low147 Ų14755.6 Ų55.679%0.78634%0.336SS*.  trans-78.751.9148.2-92.7-22.6000109T255T255-D257 PolarHBondContact O-N 3.27Å
258S41.7Very low40.8Very low9 Ų951.4 Ų51.46%0.06331%0.306CS..SBendtrans-122.9147.3169.789.20000109.2V256 A260 G261 E292V256-S258 WeakPolarHBondContact CG1-OG 3.45Å; V256-S258 PolarHBondContact O-N 3.1Å; S258-A260 PolarHBondContact O-N 3.09Å; S258-G261 PolarHBondContact O-N 2.84Å; S258-E292 WeakPolarHBondContact CB-OE2 3.28Å
259F40.4Very low41.4Very low68 Ų6855.4 Ų55.430%0.29832%0.317SS..G310 helixtrans-60.7-32.8-179.6-172.7-71.4000110.6G261 E292 P312 D347 R351F259-G261 PolarHBondContact O-N 2.86Å; F259-E292 WeakPolarHBondContact CB-OE1 3.37Å; F259-P312 HydrophobicContact CD1-CG 4.36Å; F259-P312 HydrophobicContact CE1-CG 4.15Å; F259-D347 HydrophobicContact CZ-CB 4.35Å; F259-R351 VanDerWaalsContact CD1-NH2 3.32Å; F259-R351 VanDerWaalsContact CD2-CZ 3.49Å
260A40.7Very low41.8Very low1 Ų158.6 Ų58.61%0.00833%0.329CS..G310 helixtrans-66.8-10.5175.200000115.9V234 S258 G262 E292 L295V234-A260 HydrophobicContact CB-CB 4.39Å; V234-A260 HydrophobicContact CG1-CB 3.75Å; V234-A260 HydrophobicContact CG2-CB 4.44Å; S258-A260 PolarHBondContact O-N 3.09Å; A260-G262 PolarHBondContact O-N 2.88Å; A260-E292 HydrophobicContact CB-CB 4.15Å; A260-E292 HydrophobicContact CB-CG 3.8Å; A260-E292 PolarHBondContact N-OE1 3.3Å; A260-E292 VanDerWaalsContact N-OE1 3.16Å; A260-L295 HydrophobicContact CB-CD1 3.69Å
261G44.1Very low42.9Very low4 Ų457.3 Ų57.34%0.04131%0.306CS..G310 helixtrans-62.9-6.4175.600000115S258 F259 M264S258-G261 PolarHBondContact O-N 2.84Å; F259-G261 PolarHBondContact O-N 2.86Å; G261-M264 WeakPolarHBondContact O-CB 3.46Å; G261-M264 PolarHBondContact O-N 3.21Å
262G54Low44.3Very low24 Ų2457.7 Ų57.725%0.24731%0.306CS..G310 helixtrans61.5-140.8177.800000112.2A260 M264 K265A260-G262 PolarHBondContact O-N 2.88Å; G262-M264 PolarHBondContact O-N 3.33Å; G262-M264 VanDerWaalsContact O-N 3.13Å; G262-K265 PolarHBondContact O-N 3.23Å
263E52Low46Very low27 Ų2756.6 Ų56.613%0.12630%0.299CS..G310 helixtrans-63.6-13.8178.9-62.6179.7171.100114.5K79 N109 Y110 K265K79-E263 WeakPolarHBondContact CE-OE1 3.22Å; K79-E263 WeakPolarHBondContact CE-OE2 3.17Å; K79-E263 IonicContact NZ-OE2 3.24Å; K79-E263 PolarHBondContact NZ-OE2 2.87Å; N109-E263 WeakPolarHBondContact CA-OE1 3.35Å; N109-E263 WeakPolarHBondContact CB-OE1 3.31Å; N109-E263 VanDerWaalsContact CG-OE1 3.31Å; N109-E263 PolarHBondContact N-OE1 3.31Å; N109-E263 PolarHBondContact ND2-OE1 2.93Å; Y110-E263 PolarHBondContact N-OE1 3.38Å; E263-K265 VanDerWaalsContact C-N 3.28Å
264M49.6Very low48.4Very low47 Ų4758.4 Ų58.423%0.23230%0.3CS..G310 helixtrans-81.4-9.9-178.7-61.8-67.9-74.400112.4P206 G261 G262 G266 L267P206-M264 HydrophobicContact CG-CB 3.73Å; P206-M264 HydrophobicContact CG-CE 4.21Å; P206-M264 HydrophobicContact CG-CG 3.76Å; G261-M264 WeakPolarHBondContact O-CB 3.46Å; G261-M264 PolarHBondContact O-N 3.21Å; G262-M264 PolarHBondContact O-N 3.33Å; G262-M264 VanDerWaalsContact O-N 3.13Å; M264-G266 PolarHBondContact O-N 2.71Å; M264-G266 VanDerWaalsContact O-N 3.09Å; M264-L267 PolarHBondContact O-N 2.8Å; M264-L267 VanDerWaalsContact O-N 3.1Å; M264-L267 HydrophobicContact SD-CD1 3.82Å
265K52Low50.7Low76 Ų7656.4 Ų56.433%0.3330%0.296SS..THydrogen-bonded Turntrans-57.7116.3176.2-172.9178.7-179.4-178.20110G262 E263G262-K265 PolarHBondContact O-N 3.23Å; E263-K265 VanDerWaalsContact C-N 3.28Å
266G47.9Very low53.2Low21 Ų2151.5 Ų51.522%0.21627%0.266CS..THydrogen-bonded Turntrans80.85.2178.600000116A153 M156 M264A153-G266 WeakPolarHBondContact CB-O 3.35Å; M156-G266 WeakPolarHBondContact CE-O 3.32Å; M264-G266 PolarHBondContact O-N 2.71Å; M264-G266 VanDerWaalsContact O-N 3.09Å
267L50.9Low55.2Low29 Ų2954.6 Ų54.615%0.15228%0.278CS..  trans-77.2135.6171.9-64.9-175.4000110.4M105 M156 M264M105-L267 HydrophobicContact CE-CD2 3.71Å; M105-L267 HydrophobicContact CG-CD2 3.92Å; M105-L267 HydrophobicContact SD-CD2 3.91Å; M156-L267 HydrophobicContact CE-CD2 3.5Å; M156-L267 HydrophobicContact SD-CD2 4.3Å; M264-L267 PolarHBondContact O-N 2.8Å; M264-L267 VanDerWaalsContact O-N 3.1Å; M264-L267 HydrophobicContact SD-CD1 3.82Å
268P48.3Very low57.2Low35 Ų3553.1 Ų53.123%0.22726%0.262CS..  trans-66.6149.7-179.7-1.67.3000112.7K270 Y271P268-K270 HydrophobicContact CB-CG 4.33Å; P268-K270 PolarHBondContact O-N 2.92Å; P268-Y271 HydrophobicContact CB-CD2 4.48Å; P268-Y271 HydrophobicContact CG-CD2 4.14Å; P268-Y271 HydrophobicContact CG-CE2 4.13Å; P268-Y271 PolarHBondContact O-N 3.22Å
269E48.5Very low59.4Low149 Ų14952.7 Ų52.770%0.69626%0.259SS*.G310 helixtrans-53.7-23-179-69.5-179.1170.700114.7Y271 V272E269-Y271 PolarHBondContact O-N 3.31Å; E269-V272 WeakPolarHBondContact O-CG2 3.35Å; E269-V272 PolarHBondContact O-N 3.25Å
270K48.2Very low61.5Low133 Ų13349.6 Ų49.658%0.57825%0.245SC*.G310 helixtrans-68.15.4178.874.5-178-170.81660115.3S157 P268S157-K270 WeakPolarHBondContact OG-CE 3.28Å; S157-K270 PolarHBondContact OG-NZ 2.77Å; P268-K270 HydrophobicContact CB-CG 4.33Å; P268-K270 PolarHBondContact O-N 2.92Å
271Y53.6Low63.5Low29 Ų2955.5 Ų55.511%0.11427%0.271CS..G310 helixtrans-114.629.2179.9-73.9-77.2000111.3M105 S157 L160 F174 P268 E269 G273M105-Y271 HydrophobicContact CE-CD1 3.91Å; M105-Y271 HydrophobicContact CE-CD2 3.52Å; M105-Y271 HydrophobicContact CE-CE1 3.68Å; M105-Y271 HydrophobicContact CE-CE2 3.29Å; M105-Y271 HydrophobicContact CE-CG 3.83Å; M105-Y271 HydrophobicContact SD-CE2 4.11Å; S157-Y271 PolarHBondContact OG-OH 2.9Å; L160-Y271 WeakPolarHBondContact CD2-OH 3.05Å; F174-Y271 AromaticContact CE1-CD1 3.97Å; F174-Y271 HydrophobicContact CE1-CD1 3.97Å; F174-Y271 HydrophobicContact CE1-CG 4.29Å; F174-Y271 WeakPolarHBondContact CE2-O 3.47Å; F174-Y271 VanDerWaalsContact CZ-CB 3.43Å; F174-Y271 AromaticContact CZ-CD1 3.66Å; F174-Y271 HydrophobicContact CZ-CD1 3.66Å; F174-Y271 AromaticContact CZ-CG 3.99Å; F174-Y271 HydrophobicContact CZ-CG 3.99Å; F174-Y271 WeakPolarHBondContact CZ-O 3.04Å; P268-Y271 HydrophobicContact CB-CD2 4.48Å; P268-Y271 HydrophobicContact CG-CD2 4.14Å; P268-Y271 HydrophobicContact CG-CE2 4.13Å; P268-Y271 PolarHBondContact O-N 3.22Å; E269-Y271 PolarHBondContact O-N 3.31Å; Y271-G273 PolarHBondContact O-N 3.47Å
272V58.8Low65.4Low62 Ų6257.8 Ų57.838%0.37628%0.282SS..  trans-68.4119.2162175.20000107.7F207 E269 E274F207-V272 HydrophobicContact CB-CG1 4.27Å; F207-V272 HydrophobicContact CB-CG2 4.17Å; F207-V272 HydrophobicContact CD1-CG2 4.29Å; F207-V272 HydrophobicContact CG-CG2 4.14Å; E269-V272 WeakPolarHBondContact O-CG2 3.35Å; E269-V272 PolarHBondContact O-N 3.25Å; V272-E274 PolarHBondContact O-N 3.24Å
273G66.3Low67.1Low1 Ų156.8 Ų56.81%0.0127%0.272CS..  trans-75.4105.6-178.500000111.5D175 Y271 N275 T276 F277D175-G273 VanDerWaalsContact OD1-CA 3.29Å; D175-G273 WeakPolarHBondContact OD1-CA 3.49Å; D175-G273 WeakPolarHBondContact OD2-CA 3.45Å; Y271-G273 PolarHBondContact O-N 3.47Å; G273-N275 VanDerWaalsContact C-N 3.32Å; G273-N275 PolarHBondContact O-N 3.15Å; G273-T276 WeakPolarHBondContact CA-OG1 3.39Å; G273-T276 PolarHBondContact O-N 3.4Å; G273-T276 PolarHBondContact O-OG1 3.4Å; G273-F277 WeakPolarHBondContact O-CB 3.46Å; G273-F277 PolarHBondContact O-N 2.84Å
274E76.9Confident68.9Low149 Ų14956.2 Ų56.270%0.69627%0.27SS*.Hα-helixtrans-62.2-41.8-178.1-67-176.1174.400111.2D175 V272 F277 R278D175-E274 PolarHBondContact OD2-N 3.12Å; D175-E274 VanDerWaalsContact OD2-N 3.09Å; V272-E274 PolarHBondContact O-N 3.24Å; E274-F277 PolarHBondContact O-N 3.3Å; E274-R278 WeakPolarHBondContact O-CG 3.32Å; E274-R278 PolarHBondContact O-N 3.46Å; E274-R278 VanDerWaalsContact O-N 3.14Å
275N83.6Confident70.9Confident49 Ų4955.3 Ų55.326%0.26227%0.266SS..Hα-helixtrans-68.2-47.7178.5-58.3-51.1000110.3W26 D175 L177 G273 F277 R278 I279W26-N275 HydrophobicContact CE3-CB 4.49Å; W26-N275 HydrophobicContact CH2-CB 4.43Å; W26-N275 HydrophobicContact CZ3-CB 3.78Å; W26-N275 WeakPolarHBondContact CZ3-OD1 3.21Å; D175-N275 WeakPolarHBondContact OD1-CB 3.47Å; D175-N275 PolarHBondContact OD1-N 3.21Å; D175-N275 PolarHBondContact OD2-N 3.09Å; D175-N275 PolarHBondContact OD2-ND2 3.07Å; L177-N275 HydrophobicContact CD2-CB 3.91Å; G273-N275 VanDerWaalsContact C-N 3.32Å; G273-N275 PolarHBondContact O-N 3.15Å; N275-F277 VanDerWaalsContact C-N 3.27Å; N275-F277 PolarHBondContact O-N 3.26Å; N275-R278 PolarHBondContact O-N 2.74Å; N275-I279 VanDerWaalsContact O-CG1 3.31Å; N275-I279 WeakPolarHBondContact O-CG1 3.18Å; N275-I279 PolarHBondContact O-N 3.37Å
276T82.7Confident72.7Confident0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-60.9-36.3178.353.50000112.6D175 V180 A208 C214 G273 C280D175-T276 PolarHBondContact OD1-N 3.35Å; V180-T276 HydrophobicContact CG2-CG2 4.04Å; A208-T276 VanDerWaalsContact O-CB 3.29Å; A208-T276 WeakPolarHBondContact O-CB 3.46Å; A208-T276 PolarHBondContact O-OG1 3.28Å; C214-T276 PolarHBondContact SG-O 3.44Å; G273-T276 WeakPolarHBondContact CA-OG1 3.39Å; G273-T276 PolarHBondContact O-N 3.4Å; G273-T276 PolarHBondContact O-OG1 3.4Å; T276-C280 WeakPolarHBondContact O-CB 3.28Å; T276-C280 PolarHBondContact O-N 3.44Å
277F79.4Confident74.5Confident86 Ų8653.6 Ų53.638%0.37726%0.26SS..Hα-helixtrans-63.1-46.9175.1-179.5-94.8000111.9A208 G273 E274 N275 C280 F281A208-F277 HydrophobicContact CB-CD2 4.04Å; G273-F277 WeakPolarHBondContact O-CB 3.46Å; G273-F277 PolarHBondContact O-N 2.84Å; E274-F277 PolarHBondContact O-N 3.3Å; N275-F277 VanDerWaalsContact C-N 3.27Å; N275-F277 PolarHBondContact O-N 3.26Å; F277-C280 WeakPolarHBondContact O-CB 3.25Å; F277-C280 PolarHBondContact O-N 3.16Å; F277-F281 PolarHBondContact O-N 3.38Å
278R82.4Confident76.4Confident117 Ų11753.3 Ų53.344%0.44226%0.26SS..Hα-helixtrans-65.2-45.2178.4-69-17767.4-141.9-8.8112E25 W26 E274 N275 C280 F281 D282E25-R278 IonicContact OE2-CZ 3.14Å; E25-R278 IonicContact OE2-NH1 2.74Å; E25-R278 IonicContact OE2-NH2 3.5Å; E25-R278 PolarHBondContact OE2-NH2 3.32Å; W26-R278 HydrophobicContact CH2-CB 3.59Å; W26-R278 HydrophobicContact CH2-CG 4.42Å; W26-R278 HydrophobicContact CZ2-CB 3.62Å; E274-R278 WeakPolarHBondContact O-CG 3.32Å; E274-R278 PolarHBondContact O-N 3.46Å; E274-R278 VanDerWaalsContact O-N 3.14Å; N275-R278 PolarHBondContact O-N 2.74Å; R278-C280 VanDerWaalsContact C-N 3.28Å; R278-C280 PolarHBondContact O-N 3.35Å; R278-F281 WeakPolarHBondContact O-CB 3.38Å; R278-F281 PolarHBondContact O-N 3.02Å; R278-D282 PolarHBondContact O-N 3.35Å
279I86.9Confident78.3Confident0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-59.2-42.4175.2-65.5166000110.7W26 L177 V180 C214 L218 N275 F281 D282 C283W26-I279 HydrophobicContact CD2-CD1 3.91Å; W26-I279 HydrophobicContact CD2-CG1 3.58Å; W26-I279 VanDerWaalsContact CE2-CG1 3.47Å; W26-I279 HydrophobicContact CE3-CD1 4.03Å; W26-I279 HydrophobicContact CE3-CG1 4.03Å; W26-I279 HydrophobicContact CG-CD1 4.21Å; W26-I279 HydrophobicContact CG-CG1 3.98Å; W26-I279 HydrophobicContact CH2-CG1 4.24Å; W26-I279 HydrophobicContact CZ2-CG1 3.83Å; W26-I279 HydrophobicContact CZ3-CG1 4.34Å; L177-I279 HydrophobicContact CD2-CD1 3.88Å; V180-I279 HydrophobicContact CG1-CD1 4.23Å; C214-I279 HydrophobicContact CB-CB 4.08Å; C214-I279 HydrophobicContact CB-CG2 3.62Å; L218-I279 HydrophobicContact CB-CG2 3.95Å; L218-I279 HydrophobicContact CD2-CD1 4.13Å; L218-I279 HydrophobicContact CD2-CG1 4.43Å; L218-I279 HydrophobicContact CD2-CG2 4.34Å; N275-I279 VanDerWaalsContact O-CG1 3.31Å; N275-I279 WeakPolarHBondContact O-CG1 3.18Å; N275-I279 PolarHBondContact O-N 3.37Å; I279-F281 VanDerWaalsContact C-N 3.34Å; I279-F281 PolarHBondContact O-N 2.91Å; I279-D282 PolarHBondContact O-N 3.17Å; I279-C283 HydrophobicContact CG2-CB 4.31Å; I279-C283 VanDerWaalsContact O-CB 3.23Å; I279-C283 WeakPolarHBondContact O-CB 3.4Å; I279-C283 PolarHBondContact O-N 3.16Å
280C85.2Confident80.2Confident3 Ų346 Ų462%0.0223%0.225CC..Hα-helixtrans-58.2-48.3177.1-172.60000110.9A208 T276 F277 R278 D282 V284A208-C280 HydrophobicContact CB-CB 3.8Å; T276-C280 WeakPolarHBondContact O-CB 3.28Å; T276-C280 PolarHBondContact O-N 3.44Å; F277-C280 WeakPolarHBondContact O-CB 3.25Å; F277-C280 PolarHBondContact O-N 3.16Å; R278-C280 VanDerWaalsContact C-N 3.28Å; R278-C280 PolarHBondContact O-N 3.35Å; C280-D282 VanDerWaalsContact C-N 3.32Å; C280-D282 PolarHBondContact O-N 3.49Å; C280-V284 HydrophobicContact CB-CG2 4.29Å; C280-V284 VanDerWaalsContact O-CB 3.26Å; C280-V284 WeakPolarHBondContact O-CB 3.49Å; C280-V284 PolarHBondContact O-N 2.86Å; C280-V284 VanDerWaalsContact O-N 3.07Å
281F81.6Confident82.1Confident124 Ų12440.9 Ų40.954%0.54420%0.204SC..Hα-helixtrans-59.4-40.8178.6-172.2-92.2000113F277 R278 I279F277-F281 PolarHBondContact O-N 3.38Å; R278-F281 WeakPolarHBondContact O-CB 3.38Å; R278-F281 PolarHBondContact O-N 3.02Å; I279-F281 VanDerWaalsContact C-N 3.34Å; I279-F281 PolarHBondContact O-N 2.91Å
282D84.3Confident83.6Confident52 Ų5241.1 Ų41.128%0.27821%0.207SC..Hα-helixtrans-84.3-27.9-175-66-31.2000113.9L22 R278 I279 C280L22-D282 HydrophobicContact CD2-CB 4.24Å; R278-D282 PolarHBondContact O-N 3.35Å; I279-D282 PolarHBondContact O-N 3.17Å; C280-D282 VanDerWaalsContact C-N 3.32Å; C280-D282 PolarHBondContact O-N 3.49Å
283C90.3Very high84.9Confident4 Ų441.6 Ų41.63%0.02721%0.207CC..Hα-helixtrans-119-22.2-165.5-59.10000115.6A217 R221 I279A217-C283 HydrophobicContact CB-CB 3.79Å; R221-C283 HydrophobicContact CG-CB 3.83Å; R221-C283 PolarHBondContact NE-O 3.06Å; I279-C283 HydrophobicContact CG2-CB 4.31Å; I279-C283 VanDerWaalsContact O-CB 3.23Å; I279-C283 WeakPolarHBondContact O-CB 3.4Å; I279-C283 PolarHBondContact O-N 3.16Å
284V89.6Confident86.1Confident14 Ų1443.2 Ų43.29%0.08522%0.216CC..  trans-89.7132.2-172.7173.40000110.8L213 A217 C280 G286 V287L213-V284 HydrophobicContact CD1-CG1 4.17Å; L213-V284 HydrophobicContact CD1-CG2 3.91Å; L213-V284 HydrophobicContact CD2-CG1 4.23Å; L213-V284 HydrophobicContact CD2-CG2 3.99Å; L213-V284 HydrophobicContact CG-CG2 3.72Å; A217-V284 HydrophobicContact CB-CG2 3.67Å; C280-V284 HydrophobicContact CB-CG2 4.29Å; C280-V284 VanDerWaalsContact O-CB 3.26Å; C280-V284 WeakPolarHBondContact O-CB 3.49Å; C280-V284 PolarHBondContact O-N 2.86Å; C280-V284 VanDerWaalsContact O-N 3.07Å; V284-G286 WeakPolarHBondContact CG1-O 3.39Å; V284-V287 HydrophobicContact CG1-CG2 4.27Å
285D91.4Very high86.7Confident29 Ų2936.1 Ų36.116%0.15518%0.183CC..  trans-78.7-22.4-175.4-66.2-95000113.1R221 K228 V229 F230R221-D285 IonicContact NH2-OD1 3.25Å; R221-D285 IonicContact NH2-OD2 2.69Å; R221-D285 PolarHBondContact NH2-OD2 2.79Å; R221-D285 VanDerWaalsContact NH2-OD2 3.1Å; K228-D285 VanDerWaalsContact CA-OD2 3.3Å; K228-D285 WeakPolarHBondContact CA-OD2 3.34Å; K228-D285 HydrophobicContact CB-CB 4.17Å; V229-D285 PolarHBondContact N-OD2 3.09Å; V229-D285 PolarHBondContact O-N 3.22Å; F230-D285 HydrophobicContact CZ-CB 4.41Å
286G89Confident87Confident14 Ų1434 Ų3414%0.14417%0.171CC..EExtended strand (participates in β ladder)trans176.2166.2171.700000113.6F230 G231 V284F230-G286 CarbonylContact C-O 3.54Å; F230-G286 VanDerWaalsContact CA-O 3.28Å; F230-G286 WeakPolarHBondContact CA-O 3.21Å; G231-G286 PolarHBondContact N-O 2.95Å; V284-G286 WeakPolarHBondContact CG1-O 3.39Å
287V87.1Confident87.4Confident46 Ų4638 Ų3828%0.27919%0.192SC..EExtended strand (participates in β ladder)trans-127.7133.1172.3179.60000108.5G231 E233 I249 V284G231-V287 CarbonylContact O-C 3.54Å; G231-V287 VanDerWaalsContact O-CA 3.32Å; G231-V287 WeakPolarHBondContact O-CA 3.19Å; E233-V287 HydrophobicContact CB-CG1 4.17Å; E233-V287 HydrophobicContact CG-CG1 3.85Å; I249-V287 HydrophobicContact CG1-CG2 4.37Å; V284-V287 HydrophobicContact CG1-CG2 4.27Å
288V89.6Confident88.1Confident24 Ų2433.9 Ų33.915%0.14517%0.174CC..EExtended strand (participates in β ladder)trans-113.8143.9174-62.10000110G231 V232 E233 A320 K325 L326G231-V288 PolarHBondContact O-N 2.97Å; V232-V288 WeakPolarHBondContact CA-O 3.18Å; V232-V288 HydrophobicContact CG1-CG2 4.47Å; V232-V288 HydrophobicContact CG2-CG2 3.95Å; E233-V288 PolarHBondContact N-O 3.19Å; V288-A320 HydrophobicContact CG2-CB 3.75Å; V288-K325 HydrophobicContact CB-CB 4.09Å; V288-K325 HydrophobicContact CG1-CB 4.22Å; V288-K325 HydrophobicContact CG2-CB 4.33Å; V288-L326 HydrophobicContact CG1-CD2 3.99Å; V288-L326 HydrophobicContact CG2-CD2 4.45Å; V288-L326 HydrophobicContact CG2-CG 4.43Å
289S89Confident88.7Confident28 Ų2828.4 Ų28.420%0.19615%0.154CC..EExtended strand (participates in β ladder)trans-102.2133.4178.2-37.20000110.3E233E233-S289 WeakPolarHBondContact CG-OG 3.28Å; E233-S289 WeakPolarHBondContact O-CA 3.36Å; E233-S289 PolarHBondContact OE1-OG 2.87Å
290V88.8Confident88.9Confident1 Ų129.3 Ų29.31%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-118.4158.5171.4-60.90000110.2V232 E233 V234 V235 D294 L295 A319 A320V232-V290 HydrophobicContact CG1-CB 4.43Å; V232-V290 HydrophobicContact CG1-CG1 3.92Å; V232-V290 HydrophobicContact CG1-CG2 3.68Å; E233-V290 PolarHBondContact O-N 3.26Å; V234-V290 WeakPolarHBondContact CA-O 3.32Å; V235-V290 PolarHBondContact N-O 3.28Å; V290-D294 HydrophobicContact CB-CB 4.1Å; V290-L295 HydrophobicContact CG2-CD2 3.68Å; V290-L295 HydrophobicContact CG2-CG 4.22Å; V290-A319 HydrophobicContact CB-CB 4.44Å; V290-A319 HydrophobicContact CG1-CB 4.3Å; V290-A319 HydrophobicContact CG2-CB 4.3Å; V290-A320 HydrophobicContact CG1-CB 4.06Å
291L88.7Confident89.4Confident26 Ų2630.5 Ų30.514%0.13617%0.167CC..EExtended strand (participates in β ladder)trans-81.5160.3176.3-56.8164.4000110.5V235 N240 D293 D294 L295V235-L291 HydrophobicContact CG2-CD2 3.91Å; N240-L291 WeakPolarHBondContact ND2-CD1 3.49Å; N240-L291 VanDerWaalsContact OD1-CD2 3.28Å; N240-L291 WeakPolarHBondContact OD1-CD2 3.33Å; L291-D293 PolarHBondContact O-N 3.22Å; L291-D294 WeakPolarHBondContact CB-OD2 3.35Å; L291-D294 PolarHBondContact N-OD2 3.45Å; L291-D294 WeakPolarHBondContact O-CB 3.31Å; L291-D294 PolarHBondContact O-N 3.25Å; L291-D294 VanDerWaalsContact O-N 3.16Å; L291-L295 PolarHBondContact O-N 2.93Å
292E83.9Confident90Very high34 Ų3424.6 Ų24.616%0.15914%0.142CC..Hα-helixtrans-59-37.7172177.5157.6-158.800111.6V234 V235 S258 F259 A260 D294 L295 I296V234-E292 HydrophobicContact CG1-CB 4.39Å; V235-E292 PolarHBondContact O-N 3.37Å; S258-E292 WeakPolarHBondContact CB-OE2 3.28Å; F259-E292 WeakPolarHBondContact CB-OE1 3.37Å; A260-E292 HydrophobicContact CB-CB 4.15Å; A260-E292 HydrophobicContact CB-CG 3.8Å; A260-E292 PolarHBondContact N-OE1 3.3Å; A260-E292 VanDerWaalsContact N-OE1 3.16Å; E292-D294 VanDerWaalsContact C-N 3.29Å; E292-D294 PolarHBondContact O-N 3.15Å; E292-L295 WeakPolarHBondContact O-CB 3.43Å; E292-L295 PolarHBondContact O-N 3.29Å; E292-L295 VanDerWaalsContact O-N 3.16Å; E292-I296 PolarHBondContact O-N 2.92Å
293D86.5Confident90.5Very high72 Ų7224.1 Ų24.139%0.38514%0.139SC..Hα-helixtrans-63.2-36.7177-59.62000111.7S237 L291 L295 I296 N297 I355S237-D293 VanDerWaalsContact OG-CG 3.27Å; S237-D293 PolarHBondContact OG-OD1 3.39Å; L291-D293 PolarHBondContact O-N 3.22Å; D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 2.98Å; D293-I296 PolarHBondContact O-N 2.86Å; D293-N297 WeakPolarHBondContact O-CB 3.39Å; D293-N297 PolarHBondContact O-N 3.12Å; D293-I355 HydrophobicContact CB-CD1 4.32Å
294D91.1Very high90.6Very high36 Ų3630 Ų3019%0.19317%0.17CC..Hα-helixtrans-64.1-37.1177-60.6-41000111.1V290 L291 E292 N297 A298 A319 T323V290-D294 HydrophobicContact CB-CB 4.1Å; L291-D294 WeakPolarHBondContact CB-OD2 3.35Å; L291-D294 PolarHBondContact N-OD2 3.45Å; L291-D294 WeakPolarHBondContact O-CB 3.31Å; L291-D294 PolarHBondContact O-N 3.25Å; L291-D294 VanDerWaalsContact O-N 3.16Å; E292-D294 VanDerWaalsContact C-N 3.29Å; E292-D294 PolarHBondContact O-N 3.15Å; D294-N297 PolarHBondContact O-N 3.01Å; D294-A298 WeakPolarHBondContact O-CB 3.28Å; D294-A298 PolarHBondContact O-N 3.24Å; D294-A319 HydrophobicContact CB-CB 4.14Å; D294-T323 HydrophobicContact CB-CG2 3.86Å; D294-T323 WeakPolarHBondContact OD1-CG2 3.42Å
295L90Very high90.8Very high0 Ų032.5 Ų32.50%019%0.185CC..Hα-helixtrans-65.4-45.7175.8-64.1-174.5000112.1V234 A260 V290 L291 E292 D293 N297 A298 C299 P312 G316 A319V234-L295 HydrophobicContact CB-CD1 4.23Å; V234-L295 HydrophobicContact CG1-CD1 3.87Å; V234-L295 HydrophobicContact CG1-CG 4.46Å; V234-L295 HydrophobicContact CG2-CD1 3.32Å; V234-L295 HydrophobicContact CG2-CD2 4.34Å; V234-L295 HydrophobicContact CG2-CG 4.15Å; A260-L295 HydrophobicContact CB-CD1 3.69Å; V290-L295 HydrophobicContact CG2-CD2 3.68Å; V290-L295 HydrophobicContact CG2-CG 4.22Å; L291-L295 PolarHBondContact O-N 2.93Å; E292-L295 WeakPolarHBondContact O-CB 3.43Å; E292-L295 PolarHBondContact O-N 3.29Å; E292-L295 VanDerWaalsContact O-N 3.16Å; D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 2.98Å; L295-N297 VanDerWaalsContact C-N 3.29Å; L295-N297 PolarHBondContact O-N 3.25Å; L295-A298 PolarHBondContact O-N 3.16Å; L295-C299 PolarHBondContact O-N 3.37Å; L295-C299 PolarHBondContact O-SG 3.31Å; L295-C299 VanDerWaalsContact O-SG 3.37Å; L295-P312 HydrophobicContact CB-CB 4.31Å; L295-P312 HydrophobicContact CD1-CB 4.33Å; L295-G316 VanDerWaalsContact CD2-CA 3.43Å; L295-A319 HydrophobicContact CD2-CB 3.93Å
296I89.5Confident90.8Very high4 Ų432.9 Ų32.92%0.02119%0.192CC..Hα-helixtrans-66.9-36.6-179.9-56.8-58.2000110.4E292 D293 C299 S300 P312 R351 Q352 I355E292-I296 PolarHBondContact O-N 2.92Å; D293-I296 PolarHBondContact O-N 2.86Å; I296-C299 PolarHBondContact O-N 3.38Å; I296-S300 PolarHBondContact O-N 2.98Å; I296-S300 PolarHBondContact O-OG 3.32Å; I296-P312 HydrophobicContact CD1-CB 4.09Å; I296-P312 HydrophobicContact CD1-CG 3.89Å; I296-R351 HydrophobicContact CD1-CB 4.17Å; I296-R351 HydrophobicContact CG1-CB 4.45Å; I296-R351 HydrophobicContact CG2-CB 4.41Å; I296-Q352 HydrophobicContact CG2-CG 4.06Å; I296-I355 HydrophobicContact CB-CD1 3.36Å; I296-I355 HydrophobicContact CG1-CD1 3.74Å; I296-I355 HydrophobicContact CG2-CD1 3.48Å; I296-I355 VanDerWaalsContact CG2-CD1 3.48Å
297N92.1Very high91Very high84 Ų8435 Ų3545%0.44921%0.214SC..Hα-helixtrans-61.4-47.1172.1-173.839.4000111.2D293 D294 L295 C299 S300 V301 M322D293-N297 WeakPolarHBondContact O-CB 3.39Å; D293-N297 PolarHBondContact O-N 3.12Å; D294-N297 PolarHBondContact O-N 3.01Å; L295-N297 VanDerWaalsContact C-N 3.29Å; L295-N297 PolarHBondContact O-N 3.25Å; N297-C299 PolarHBondContact O-N 3.46Å; N297-S300 WeakPolarHBondContact O-CA 3.47Å; N297-S300 WeakPolarHBondContact O-CB 3.37Å; N297-S300 PolarHBondContact O-N 3.03Å; N297-V301 PolarHBondContact O-N 3.44Å; N297-M322 VanDerWaalsContact ND2-CE 3.29Å; N297-M322 WeakPolarHBondContact ND2-CE 3.42Å
298A94.4Very high91.3Very high0 Ų033.8 Ų33.80%021%0.206CC..Hα-helixtrans-62.6-39.6176.900000113D294 L295 S300 V301 L302 A315 V318 A319 M322D294-A298 WeakPolarHBondContact O-CB 3.28Å; D294-A298 PolarHBondContact O-N 3.24Å; L295-A298 PolarHBondContact O-N 3.16Å; A298-S300 VanDerWaalsContact C-N 3.29Å; A298-S300 PolarHBondContact O-N 2.65Å; A298-V301 PolarHBondContact O-N 3.05Å; A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CG 3.41Å; A298-L302 PolarHBondContact O-N 2.61Å; A298-A315 HydrophobicContact CB-CB 3.89Å; A298-V318 HydrophobicContact CB-CB 4.21Å; A298-V318 HydrophobicContact CB-CG1 4.08Å; A298-A319 HydrophobicContact CB-CB 3.76Å; A298-M322 HydrophobicContact CB-SD 4Å
299C93.5Very high91.5Very high1 Ų135.9 Ų35.91%0.00722%0.216CC..Hα-helixtrans-58.1-42.2170.2-73.10000112.3L295 I296 N297 L302 L303 P312 L348L295-C299 PolarHBondContact O-N 3.37Å; L295-C299 PolarHBondContact O-SG 3.31Å; L295-C299 VanDerWaalsContact O-SG 3.37Å; I296-C299 PolarHBondContact O-N 3.38Å; N297-C299 PolarHBondContact O-N 3.46Å; C299-L302 PolarHBondContact O-N 3.42Å; C299-L303 WeakPolarHBondContact O-CB 3.44Å; C299-L303 PolarHBondContact O-N 3.06Å; C299-P312 VanDerWaalsContact SG-CA 3.58Å; C299-L348 HydrophobicContact CB-CD1 3.75Å
300S92.7Very high91.6Very high19 Ų1934.6 Ų34.613%0.13321%0.207CC..Hα-helixtrans-64.6-46.5179.5-51.80000110.9I296 N297 A298 L302 L303 D304 Q352I296-S300 PolarHBondContact O-N 2.98Å; I296-S300 PolarHBondContact O-OG 3.32Å; N297-S300 WeakPolarHBondContact O-CA 3.47Å; N297-S300 WeakPolarHBondContact O-CB 3.37Å; N297-S300 PolarHBondContact O-N 3.03Å; A298-S300 VanDerWaalsContact C-N 3.29Å; A298-S300 PolarHBondContact O-N 2.65Å; S300-L302 PolarHBondContact O-N 3.44Å; S300-L303 PolarHBondContact O-N 3.39Å; S300-D304 WeakPolarHBondContact O-CB 3.39Å; S300-D304 VanDerWaalsContact O-CG 3.3Å; S300-D304 PolarHBondContact O-N 2.99Å; S300-Q352 PolarHBondContact OG-NE2 2.99Å
301V94.6Very high91.6Very high29 Ų2935.2 Ų35.218%0.17621%0.209CC..Hα-helixtrans-60.1-46.1176.11720000111.5L58 N297 A298 L303 D304 T305 M322L58-V301 HydrophobicContact CD2-CG1 3.88Å; N297-V301 PolarHBondContact O-N 3.44Å; A298-V301 PolarHBondContact O-N 3.05Å; V301-L303 VanDerWaalsContact C-N 3.29Å; V301-L303 PolarHBondContact O-N 3.47Å; V301-D304 PolarHBondContact O-N 3.41Å; V301-T305 HydrophobicContact CG1-CG2 4.09Å; V301-T305 WeakPolarHBondContact O-CB 3.18Å; V301-T305 WeakPolarHBondContact O-CG2 3.39Å; V301-T305 PolarHBondContact O-N 2.94Å; V301-T305 PolarHBondContact O-OG1 3.37Å; V301-M322 HydrophobicContact CB-CE 4.26Å; V301-M322 HydrophobicContact CB-SD 4.37Å; V301-M322 HydrophobicContact CG2-CE 3.54Å; V301-M322 HydrophobicContact CG2-SD 4.28Å
302L95.3Very high91.5Very high0 Ų034.2 Ų34.20%020%0.204CC..Hα-helixtrans-60.1-38.8176.9-76.7167.6000112.6L58 L67 A298 C299 S300 A306 G307 I308 V310 A315 V318L58-L302 HydrophobicContact CD2-CD2 3.98Å; L67-L302 HydrophobicContact CD1-CD2 3.95Å; A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CG 3.41Å; A298-L302 PolarHBondContact O-N 2.61Å; C299-L302 PolarHBondContact O-N 3.42Å; S300-L302 PolarHBondContact O-N 3.44Å; L302-A306 VanDerWaalsContact O-CB 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.48Å; L302-A306 PolarHBondContact O-N 3.4Å; L302-G307 PolarHBondContact O-N 3.3Å; L302-I308 CarbonylContact C-O 3.58Å; L302-I308 HydrophobicContact CB-CB 4.37Å; L302-I308 HydrophobicContact CD2-CD1 4.44Å; L302-I308 PolarHBondContact O-N 2.96Å; L302-V310 HydrophobicContact CD1-CG1 4.25Å; L302-V310 HydrophobicContact CD1-CG2 3.8Å; L302-A315 HydrophobicContact CD1-CB 4.27Å; L302-V318 HydrophobicContact CD1-CG2 4.22Å; L302-V318 HydrophobicContact CD2-CG2 4.35Å
303L93.7Very high91.7Very high41 Ų4133.8 Ų33.822%0.21520%0.202CC..Hα-helixtrans-69-52176.6179.458.9000111.6C299 S300 V301 G307 I308 I309C299-L303 WeakPolarHBondContact O-CB 3.44Å; C299-L303 PolarHBondContact O-N 3.06Å; S300-L303 PolarHBondContact O-N 3.39Å; V301-L303 VanDerWaalsContact C-N 3.29Å; V301-L303 PolarHBondContact O-N 3.47Å; L303-G307 WeakPolarHBondContact O-CA 3.39Å; L303-G307 PolarHBondContact O-N 3.22Å; L303-I308 PolarHBondContact N-O 3.17Å; L303-I309 HydrophobicContact CD1-CG1 3.87Å
304D92.4Very high91.9Very high129 Ų12930.4 Ų30.469%0.6918%0.184SC*.Hα-helixtrans-71.8-35.5-171.2-68.8-18.7000112.6S300 V301S300-D304 WeakPolarHBondContact O-CB 3.39Å; S300-D304 VanDerWaalsContact O-CG 3.3Å; S300-D304 PolarHBondContact O-N 2.99Å; V301-D304 PolarHBondContact O-N 3.41Å
305T93.2Very high92.1Very high65 Ų6528.7 Ų28.740%0.39918%0.175SC..Hα-helixtrans-94.4-27.6-174.7660000113.3M57 V301M57-T305 WeakPolarHBondContact O-CB 3.46Å; M57-T305 WeakPolarHBondContact O-CG2 3.37Å; M57-T305 PolarHBondContact O-OG1 2.8Å; V301-T305 HydrophobicContact CG1-CG2 4.09Å; V301-T305 WeakPolarHBondContact O-CB 3.18Å; V301-T305 WeakPolarHBondContact O-CG2 3.39Å; V301-T305 PolarHBondContact O-N 2.94Å; V301-T305 PolarHBondContact O-OG1 3.37Å
306A91.3Very high92.2Very high37 Ų3728.8 Ų28.831%0.30618%0.176SC..Hα-helixtrans-127.5-7.9-171.300000114.3M57 L302 I308M57-A306 HydrophobicContact CE-CB 3.65Å; M57-A306 HydrophobicContact SD-CB 3.47Å; M57-A306 WeakPolarHBondContact SD-CB 3.22Å; L302-A306 VanDerWaalsContact O-CB 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.48Å; L302-A306 PolarHBondContact O-N 3.4Å; A306-I308 HydrophobicContact CB-CB 4.32Å; A306-I308 HydrophobicContact CB-CD1 3.51Å; A306-I308 HydrophobicContact CB-CG1 3.64Å; A306-I308 PolarHBondContact O-N 3.44Å
307G93.1Very high92.5Very high59 Ų5928.6 Ų28.661%0.60818%0.175SC*.  trans66.520.9-172.500000113.4L302 L303L302-G307 PolarHBondContact O-N 3.3Å; L303-G307 WeakPolarHBondContact O-CA 3.39Å; L303-G307 PolarHBondContact O-N 3.22Å
308I93.9Very high92.8Very high20 Ų2024.6 Ų24.610%0.10315%0.154CC..  trans-96.6116.9-174.2-60.2171.2000109.6L51 L67 M69 L302 L303 A306 V310L51-I308 HydrophobicContact CD1-CD1 3.45Å; L51-I308 VanDerWaalsContact CD1-CD1 3.45Å; L67-I308 HydrophobicContact CD1-CD1 4.44Å; M69-I308 HydrophobicContact CE-CD1 3.89Å; M69-I308 HydrophobicContact CE-CG1 4.28Å; M69-I308 HydrophobicContact CE-CG2 3.52Å; M69-I308 HydrophobicContact SD-CD1 4.4Å; L302-I308 CarbonylContact C-O 3.58Å; L302-I308 HydrophobicContact CB-CB 4.37Å; L302-I308 HydrophobicContact CD2-CD1 4.44Å; L302-I308 PolarHBondContact O-N 2.96Å; L303-I308 PolarHBondContact N-O 3.17Å; A306-I308 HydrophobicContact CB-CB 4.32Å; A306-I308 HydrophobicContact CB-CD1 3.51Å; A306-I308 HydrophobicContact CB-CG1 3.64Å; A306-I308 PolarHBondContact O-N 3.44Å; I308-V310 HydrophobicContact CG2-CG1 3.73Å
309I93.5Very high92.8Very high68 Ų6824.6 Ų24.635%0.34915%0.154SC..  trans-92.1126.7172.6-59.8168.1000109.2L303 R341 I343 L345L303-I309 HydrophobicContact CD1-CG1 3.87Å; I309-R341 VanDerWaalsContact O-CB 3.28Å; I309-R341 WeakPolarHBondContact O-CB 3.28Å; I309-I343 HydrophobicContact CG2-CG2 3.73Å; I309-L345 HydrophobicContact CD1-CD1 4.34Å
310V91.9Very high92.9Very high1 Ų124.5 Ų24.51%0.00615%0.153CC..  trans-133.5155177.4-56.50000110.6L302 I308 A314 A315 I338 S340L302-V310 HydrophobicContact CD1-CG1 4.25Å; L302-V310 HydrophobicContact CD1-CG2 3.8Å; I308-V310 HydrophobicContact CG2-CG1 3.73Å; V310-A314 HydrophobicContact CB-CB 4.29Å; V310-A315 HydrophobicContact CG2-CB 3.87Å; V310-I338 HydrophobicContact CB-CG2 4.41Å; V310-I338 HydrophobicContact CG1-CG2 3.41Å; V310-I338 VanDerWaalsContact CG1-CG2 3.41Å; V310-S340 WeakPolarHBondContact CA-O 3.39Å
311E88.4Confident93.2Very high14 Ų1423.8 Ų23.87%0.06515%0.148CC..  trans-71.6148165.468.5-178.9-164.900110N109 K137 F313 A314 A315 S340 I343N109-E311 VanDerWaalsContact ND2-CD 3.33Å; N109-E311 PolarHBondContact ND2-OE1 3.2Å; N109-E311 PolarHBondContact ND2-OE2 2.95Å; K137-E311 IonicContact NZ-OE2 3.04Å; K137-E311 PolarHBondContact NZ-OE2 3.31Å; E311-F313 VanDerWaalsContact C-N 3.27Å; E311-F313 PolarHBondContact O-N 3.23Å; E311-F313 VanDerWaalsContact O-N 3.12Å; E311-A314 HydrophobicContact CG-CB 3.92Å; E311-A314 WeakPolarHBondContact O-CB 3.42Å; E311-A314 PolarHBondContact O-N 3.31Å; E311-A315 PolarHBondContact O-N 2.91Å; E311-S340 VanDerWaalsContact CD-CB 3.49Å; E311-S340 VanDerWaalsContact CG-OG 3.27Å; E311-S340 WeakPolarHBondContact CG-OG 3.28Å; E311-S340 PolarHBondContact N-O 3.49Å; E311-S340 WeakPolarHBondContact OE1-CB 3.37Å; E311-S340 PolarHBondContact OE1-OG 2.94Å; E311-I343 HydrophobicContact CB-CB 4.25Å
312P87.7Confident93.3Very high5 Ų525.1 Ų25.13%0.03215%0.153CC..G310 helixtrans-48.8-45-174.3-29.530.1000114.5F259 L295 I296 C299 A314 A315 I343F259-P312 HydrophobicContact CD1-CG 4.36Å; F259-P312 HydrophobicContact CE1-CG 4.15Å; L295-P312 HydrophobicContact CB-CB 4.31Å; L295-P312 HydrophobicContact CD1-CB 4.33Å; I296-P312 HydrophobicContact CD1-CB 4.09Å; I296-P312 HydrophobicContact CD1-CG 3.89Å; C299-P312 VanDerWaalsContact SG-CA 3.58Å; P312-A314 VanDerWaalsContact C-N 3.27Å; P312-A314 PolarHBondContact O-N 2.81Å; P312-A315 WeakPolarHBondContact O-CB 3.34Å; P312-A315 PolarHBondContact O-N 3.03Å; P312-I343 VanDerWaalsContact CD-CD1 3.48Å; P312-I343 HydrophobicContact CG-CD1 4.24Å
313F87.1Confident93.2Very high25 Ų2527.4 Ų27.411%0.1117%0.167CC..G310 helixtrans-61.8-35.3-179.7-175.6-103.1000112.7P203 A204 V234 E311 A315 G316P203-F313 HydrophobicContact CB-CD1 3.89Å; P203-F313 HydrophobicContact CB-CE1 3.4Å; P203-F313 HydrophobicContact CB-CE2 4.41Å; P203-F313 HydrophobicContact CB-CZ 3.68Å; P203-F313 WeakPolarHBondContact CB-O 3.33Å; A204-F313 VanDerWaalsContact O-CE2 3.28Å; A204-F313 WeakPolarHBondContact O-CE2 3.25Å; A204-F313 WeakPolarHBondContact O-CZ 3.27Å; V234-F313 HydrophobicContact CG2-CD2 4.19Å; E311-F313 VanDerWaalsContact C-N 3.27Å; E311-F313 PolarHBondContact O-N 3.23Å; E311-F313 VanDerWaalsContact O-N 3.12Å; F313-A315 PolarHBondContact O-N 3.19Å; F313-G316 PolarHBondContact O-N 3.04Å
314A91.6Very high93.3Very high1 Ų126.9 Ų26.91%0.00817%0.171CC..G310 helixtrans-71.5-15.9177.200000113.7V310 E311 P312 G316 S340V310-A314 HydrophobicContact CB-CB 4.29Å; E311-A314 HydrophobicContact CG-CB 3.92Å; E311-A314 WeakPolarHBondContact O-CB 3.42Å; E311-A314 PolarHBondContact O-N 3.31Å; P312-A314 VanDerWaalsContact C-N 3.27Å; P312-A314 PolarHBondContact O-N 2.81Å; A314-G316 VanDerWaalsContact C-N 3.3Å; A314-S340 WeakPolarHBondContact CB-O 3.27Å
315A93.5Very high93.2Very high0 Ų026.2 Ų26.20%016%0.162CC..G310 helixtrans-82.1-6.9173.800000113.3A298 L302 V310 E311 P312 F313 V318 A319A298-A315 HydrophobicContact CB-CB 3.89Å; L302-A315 HydrophobicContact CD1-CB 4.27Å; V310-A315 HydrophobicContact CG2-CB 3.87Å; E311-A315 PolarHBondContact O-N 2.91Å; P312-A315 WeakPolarHBondContact O-CB 3.34Å; P312-A315 PolarHBondContact O-N 3.03Å; F313-A315 PolarHBondContact O-N 3.19Å; A315-V318 PolarHBondContact O-N 2.99Å; A315-A319 PolarHBondContact O-N 3.2Å
316G93.7Very high93.3Very high2 Ų223.2 Ų23.22%0.02114%0.144CC..Hα-helixtrans-46.2-51.3-178.100000114.8L295 F313 A314 V318 A319 A320L295-G316 VanDerWaalsContact CD2-CA 3.43Å; F313-G316 PolarHBondContact O-N 3.04Å; A314-G316 VanDerWaalsContact C-N 3.3Å; G316-V318 VanDerWaalsContact C-N 3.3Å; G316-V318 PolarHBondContact O-N 2.73Å; G316-A319 WeakPolarHBondContact O-CB 3.47Å; G316-A319 PolarHBondContact O-N 3.26Å; G316-A319 VanDerWaalsContact O-N 3.15Å; G316-A320 PolarHBondContact O-N 2.92Å
317P95.7Very high93.5Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-54-42.5176.2-32.338.4000114.4V201 P203 L321 A336V201-P317 HydrophobicContact CB-CB 4.03Å; V201-P317 HydrophobicContact CG1-CB 3.74Å; V201-P317 HydrophobicContact CG1-CG 4.24Å; V201-P317 WeakPolarHBondContact O-CG 3.21Å; P203-P317 VanDerWaalsContact CD-CG 3.49Å; P203-P317 HydrophobicContact CG-CG 3.88Å; P317-L321 WeakPolarHBondContact O-CG 3.4Å; P317-L321 PolarHBondContact O-N 2.82Å; P317-A336 HydrophobicContact CB-CB 3.6Å
318V97.2Very high93.6Very high0 Ų027 Ų270%015%0.153CC..Hα-helixtrans-71.1-41.9178.4177.30000110.1L58 L67 A298 L302 A315 G316 A320 L321 M322 I338L58-V318 HydrophobicContact CD1-CG1 4.32Å; L58-V318 HydrophobicContact CD1-CG2 4.38Å; L58-V318 HydrophobicContact CD2-CG1 4.21Å; L67-V318 HydrophobicContact CD2-CG2 4.23Å; A298-V318 HydrophobicContact CB-CB 4.21Å; A298-V318 HydrophobicContact CB-CG1 4.08Å; L302-V318 HydrophobicContact CD1-CG2 4.22Å; L302-V318 HydrophobicContact CD2-CG2 4.35Å; A315-V318 PolarHBondContact O-N 2.99Å; G316-V318 VanDerWaalsContact C-N 3.3Å; G316-V318 PolarHBondContact O-N 2.73Å; V318-A320 VanDerWaalsContact C-N 3.33Å; V318-A320 PolarHBondContact O-N 3.35Å; V318-L321 PolarHBondContact O-N 2.9Å; V318-M322 HydrophobicContact CG1-CG 4.25Å; V318-M322 HydrophobicContact CG1-SD 3.71Å; V318-M322 VanDerWaalsContact O-CG 3.28Å; V318-M322 WeakPolarHBondContact O-CG 3.31Å; V318-M322 PolarHBondContact O-N 3.21Å; V318-I338 HydrophobicContact CG2-CD1 3.96Å
319A95.6Very high93.6Very high0 Ų026.2 Ų26.20%015%0.149CC..Hα-helixtrans-58.6-42.3174.600000112.4V290 D294 L295 A298 A315 G316 L321 M322 T323V290-A319 HydrophobicContact CB-CB 4.44Å; V290-A319 HydrophobicContact CG1-CB 4.3Å; V290-A319 HydrophobicContact CG2-CB 4.3Å; D294-A319 HydrophobicContact CB-CB 4.14Å; L295-A319 HydrophobicContact CD2-CB 3.93Å; A298-A319 HydrophobicContact CB-CB 3.76Å; A315-A319 PolarHBondContact O-N 3.2Å; G316-A319 WeakPolarHBondContact O-CB 3.47Å; G316-A319 PolarHBondContact O-N 3.26Å; G316-A319 VanDerWaalsContact O-N 3.15Å; A319-L321 VanDerWaalsContact C-N 3.33Å; A319-L321 PolarHBondContact O-N 3.46Å; A319-M322 PolarHBondContact O-N 3.04Å; A319-T323 WeakPolarHBondContact O-CB 3.34Å; A319-T323 WeakPolarHBondContact O-CG2 3.38Å; A319-T323 PolarHBondContact O-N 3.19Å; A319-T323 PolarHBondContact O-OG1 3.35Å
320A95.8Very high93.7Very high0 Ų027.3 Ų27.30%015%0.152CC..Hα-helixtrans-64.6-36.4178.400000112.9V232 V288 V290 G316 V318 T323 K325 L326V232-A320 HydrophobicContact CG1-CB 4.09Å; V232-A320 HydrophobicContact CG2-CB 3.6Å; V288-A320 HydrophobicContact CG2-CB 3.75Å; V290-A320 HydrophobicContact CG1-CB 4.06Å; G316-A320 PolarHBondContact O-N 2.92Å; V318-A320 VanDerWaalsContact C-N 3.33Å; V318-A320 PolarHBondContact O-N 3.35Å; A320-T323 WeakPolarHBondContact CA-OG1 3.43Å; A320-T323 PolarHBondContact O-OG1 3.22Å; A320-K325 PolarHBondContact O-N 3.21Å; A320-L326 HydrophobicContact CB-CD1 3.91Å; A320-L326 HydrophobicContact CB-CG 4.41Å
321L97.1Very high93.9Very high3 Ų330.7 Ų30.72%0.01619%0.187CC..Hα-helixtrans-69.5-46.5174.1-67.8165.5000111.1L60 F63 V65 P317 V318 A319 T323 G324 L326 V334L60-L321 HydrophobicContact CD1-CB 3.73Å; L60-L321 HydrophobicContact CD1-CD1 3.99Å; L60-L321 HydrophobicContact CD1-CG 4.44Å; L60-L321 HydrophobicContact CD2-CB 3.88Å; L60-L321 HydrophobicContact CG-CB 4.47Å; F63-L321 HydrophobicContact CD1-CD2 3.95Å; F63-L321 HydrophobicContact CE1-CD2 3.64Å; F63-L321 HydrophobicContact CZ-CD2 3.95Å; V65-L321 HydrophobicContact CG1-CD1 4.05Å; V65-L321 HydrophobicContact CG2-CD1 4.19Å; P317-L321 WeakPolarHBondContact O-CG 3.4Å; P317-L321 PolarHBondContact O-N 2.82Å; V318-L321 PolarHBondContact O-N 2.9Å; A319-L321 VanDerWaalsContact C-N 3.33Å; A319-L321 PolarHBondContact O-N 3.46Å; L321-T323 VanDerWaalsContact C-N 3.3Å; L321-T323 PolarHBondContact O-N 3.44Å; L321-G324 PolarHBondContact O-N 2.97Å; L321-L326 HydrophobicContact CD2-CB 4.11Å; L321-L326 HydrophobicContact CD2-CD1 4.18Å; L321-L326 HydrophobicContact CG-CD1 4.45Å; L321-V334 HydrophobicContact CD1-CG1 4.47Å; L321-V334 HydrophobicContact CD2-CG1 4.29Å
322M96.7Very high94.2Very high58 Ų5832.8 Ų32.829%0.28620%0.196SC..Hα-helixtrans-64.7-31.5-179-70.5172.26500113.4L60 N297 A298 V301 V318 A319 G324L60-M322 HydrophobicContact CD2-CB 4.43Å; L60-M322 HydrophobicContact CD2-CG 3.92Å; N297-M322 VanDerWaalsContact ND2-CE 3.29Å; N297-M322 WeakPolarHBondContact ND2-CE 3.42Å; A298-M322 HydrophobicContact CB-SD 4Å; V301-M322 HydrophobicContact CB-CE 4.26Å; V301-M322 HydrophobicContact CB-SD 4.37Å; V301-M322 HydrophobicContact CG2-CE 3.54Å; V301-M322 HydrophobicContact CG2-SD 4.28Å; V318-M322 HydrophobicContact CG1-CG 4.25Å; V318-M322 HydrophobicContact CG1-SD 3.71Å; V318-M322 VanDerWaalsContact O-CG 3.28Å; V318-M322 WeakPolarHBondContact O-CG 3.31Å; V318-M322 PolarHBondContact O-N 3.21Å; A319-M322 PolarHBondContact O-N 3.04Å; M322-G324 VanDerWaalsContact C-N 3.26Å; M322-G324 PolarHBondContact O-N 3.34Å
323T95.1Very high94.7Very high47 Ų4735.2 Ų35.229%0.28821%0.206SC..THydrogen-bonded Turntrans-83.40.8179.851.40000113.4D294 A319 A320 L321 K325D294-T323 HydrophobicContact CB-CG2 3.86Å; D294-T323 WeakPolarHBondContact OD1-CG2 3.42Å; A319-T323 WeakPolarHBondContact O-CB 3.34Å; A319-T323 WeakPolarHBondContact O-CG2 3.38Å; A319-T323 PolarHBondContact O-N 3.19Å; A319-T323 PolarHBondContact O-OG1 3.35Å; A320-T323 WeakPolarHBondContact CA-OG1 3.43Å; A320-T323 PolarHBondContact O-OG1 3.22Å; L321-T323 VanDerWaalsContact C-N 3.3Å; L321-T323 PolarHBondContact O-N 3.44Å; T323-K325 PolarHBondContact O-N 2.74Å; T323-K325 VanDerWaalsContact OG1-CG 3.26Å; T323-K325 WeakPolarHBondContact OG1-CG 3.39Å
324G94.1Very high95.2Very high30 Ų3034 Ų3431%0.30920%0.201SC..THydrogen-bonded Turntrans70.69.5-179.300000114.3L321 M322 L326 D327L321-G324 PolarHBondContact O-N 2.97Å; M322-G324 VanDerWaalsContact C-N 3.26Å; M322-G324 PolarHBondContact O-N 3.34Å; G324-L326 PolarHBondContact O-N 3.28Å; G324-D327 WeakPolarHBondContact CA-OD1 3.26Å; G324-D327 WeakPolarHBondContact O-CB 3.44Å; G324-D327 PolarHBondContact O-N 3.16Å
325K91.8Very high95.5Very high116 Ų11634 Ų3450%0.50420%0.201SC..THydrogen-bonded Turntrans-65.1-20.9179.3-61.3-66.6-177.2-176.30112.6V288 A320 T323V288-K325 HydrophobicContact CB-CB 4.09Å; V288-K325 HydrophobicContact CG1-CB 4.22Å; V288-K325 HydrophobicContact CG2-CB 4.33Å; A320-K325 PolarHBondContact O-N 3.21Å; T323-K325 PolarHBondContact O-N 2.74Å; T323-K325 VanDerWaalsContact OG1-CG 3.26Å; T323-K325 WeakPolarHBondContact OG1-CG 3.39Å
326L95.2Very high95.8Very high2 Ų234 Ų341%0.0120%0.201CC..THydrogen-bonded Turntrans-11523.8179.1-65.3173.5000112.5F63 V201 F230 V288 A320 L321 G324 S328 C329F63-L326 VanDerWaalsContact CE1-O 3.31Å; F63-L326 WeakPolarHBondContact CE1-O 3.44Å; F63-L326 WeakPolarHBondContact CZ-O 3.14Å; V201-L326 HydrophobicContact CB-CD1 4.37Å; V201-L326 HydrophobicContact CG1-CD1 3.73Å; V201-L326 HydrophobicContact CG2-CD1 3.66Å; F230-L326 HydrophobicContact CB-CD2 4.32Å; F230-L326 HydrophobicContact CD1-CD2 4.15Å; F230-L326 HydrophobicContact CD2-CD2 4.33Å; F230-L326 HydrophobicContact CG-CD2 4.01Å; V288-L326 HydrophobicContact CG1-CD2 3.99Å; V288-L326 HydrophobicContact CG2-CD2 4.45Å; V288-L326 HydrophobicContact CG2-CG 4.43Å; A320-L326 HydrophobicContact CB-CD1 3.91Å; A320-L326 HydrophobicContact CB-CG 4.41Å; L321-L326 HydrophobicContact CD2-CB 4.11Å; L321-L326 HydrophobicContact CD2-CD1 4.18Å; L321-L326 HydrophobicContact CG-CD1 4.45Å; G324-L326 PolarHBondContact O-N 3.28Å; L326-S328 PolarHBondContact O-N 3.43Å; L326-S328 VanDerWaalsContact O-N 3.09Å; L326-C329 WeakPolarHBondContact O-CB 3.39Å; L326-C329 PolarHBondContact O-N 3.36Å
327D95.1Very high96Very high73 Ų7333.9 Ų33.939%0.3920%0.2SC..G310 helixtrans-57.8-24177.4-95.917.2000113.6G324 C329 K330G324-D327 WeakPolarHBondContact CA-OD1 3.26Å; G324-D327 WeakPolarHBondContact O-CB 3.44Å; G324-D327 PolarHBondContact O-N 3.16Å; D327-C329 PolarHBondContact O-N 3.39Å; D327-K330 HydrophobicContact CB-CD 4.47Å; D327-K330 WeakPolarHBondContact O-CB 3.48Å; D327-K330 WeakPolarHBondContact O-CG 3.22Å; D327-K330 PolarHBondContact O-N 2.86Å; D327-K330 WeakPolarHBondContact OD1-CE 3.44Å; D327-K330 IonicContact OD1-NZ 3.59Å; D327-K330 PolarHBondContact OD1-NZ 3.46Å; D327-K330 IonicContact OD2-NZ 2.8Å; D327-K330 PolarHBondContact OD2-NZ 3.16Å
328S94.2Very high96Very high102 Ų10233.9 Ų33.971%0.71320%0.2SC*.G310 helixtrans-64.3-14.1171.556.50000114L326L326-S328 PolarHBondContact O-N 3.43Å; L326-S328 VanDerWaalsContact O-N 3.09Å
329C94.6Very high95.8Very high4 Ų434 Ų343%0.02720%0.2CC..G310 helixtrans-98.66.3177.2-55.70000112.7F63 V199 L326 D327 G331 E332 V334F63-C329 HydrophobicContact CE1-CB 4.18Å; V199-C329 HydrophobicContact CG2-CB 4.22Å; L326-C329 WeakPolarHBondContact O-CB 3.39Å; L326-C329 PolarHBondContact O-N 3.36Å; D327-C329 PolarHBondContact O-N 3.39Å; C329-G331 PolarHBondContact O-N 3.19Å; C329-E332 VanDerWaalsContact O-CB 3.31Å; C329-E332 WeakPolarHBondContact O-CB 3.07Å; C329-E332 PolarHBondContact O-N 3.43Å; C329-E332 VanDerWaalsContact O-N 3.16Å; C329-V334 HydrophobicContact CB-CG2 4.21Å
330K95.7Very high95.8Very high91 Ų9134 Ų3440%0.39620%0.201SC..THydrogen-bonded Turntrans-59.8138.3172.3-76.5175.2172.5164.80110.1P61 G62 F63 D327 E332P61-K330 WeakPolarHBondContact O-CE 3.4Å; G62-K330 CarbonylContact O-C 3.44Å; G62-K330 WeakPolarHBondContact O-CA 3.4Å; G62-K330 WeakPolarHBondContact O-CB 3.08Å; F63-K330 HydrophobicContact CD1-CG 4.15Å; F63-K330 HydrophobicContact CD2-CG 3.94Å; F63-K330 HydrophobicContact CE1-CG 3.86Å; F63-K330 HydrophobicContact CE2-CD 4.23Å; F63-K330 VanDerWaalsContact CE2-CE 3.46Å; F63-K330 HydrophobicContact CE2-CG 3.65Å; F63-K330 HydrophobicContact CG-CG 4.2Å; F63-K330 HydrophobicContact CZ-CD 4.45Å; F63-K330 HydrophobicContact CZ-CG 3.61Å; D327-K330 HydrophobicContact CB-CD 4.47Å; D327-K330 WeakPolarHBondContact O-CB 3.48Å; D327-K330 WeakPolarHBondContact O-CG 3.22Å; D327-K330 PolarHBondContact O-N 2.86Å; D327-K330 WeakPolarHBondContact OD1-CE 3.44Å; D327-K330 IonicContact OD1-NZ 3.59Å; D327-K330 PolarHBondContact OD1-NZ 3.46Å; D327-K330 IonicContact OD2-NZ 2.8Å; D327-K330 PolarHBondContact OD2-NZ 3.16Å; K330-E332 VanDerWaalsContact C-N 3.28Å
331G95.5Very high95.6Very high72 Ų7238.4 Ų38.474%0.74222%0.218SC*.THydrogen-bonded Turntrans83.5-10-17400000115.5G62 C329G62-G331 PolarHBondContact O-N 3.26Å; C329-G331 PolarHBondContact O-N 3.19Å
332E96Very high95.3Very high57 Ų5739.2 Ų39.227%0.26622%0.222SC..SBendtrans-91.3155.7175.2-56.7-88.7-154.700110.4D198 V199 K228 C329 K330 V334D198-E332 HydrophobicContact CB-CB 3.87Å; D198-E332 VanDerWaalsContact CB-OE2 3.27Å; D198-E332 WeakPolarHBondContact CB-OE2 3.26Å; V199-E332 HydrophobicContact CG2-CB 4.09Å; V199-E332 HydrophobicContact CG2-CG 4.42Å; K228-E332 IonicContact NZ-OE1 3.39Å; K228-E332 PolarHBondContact NZ-OE1 3.27Å; C329-E332 VanDerWaalsContact O-CB 3.31Å; C329-E332 WeakPolarHBondContact O-CB 3.07Å; C329-E332 PolarHBondContact O-N 3.43Å; C329-E332 VanDerWaalsContact O-N 3.16Å; K330-E332 VanDerWaalsContact C-N 3.28Å; E332-V334 PolarHBondContact O-N 2.93Å
333K96.8Very high94.9Very high57 Ų5737.4 Ų37.425%0.24821%0.213CC..EExtended strand (participates in β ladder)trans-79.2103.4169.7-173.7177.4-178173.80110.3D66 I194 D198 V199D66-K333 WeakPolarHBondContact OD2-CE 3.29Å; D66-K333 IonicContact OD2-NZ 2.71Å; I194-K333 PolarHBondContact O-NZ 2.74Å; D198-K333 PolarHBondContact N-O 3.1Å; D198-K333 VanDerWaalsContact OD2-CB 3.25Å; D198-K333 WeakPolarHBondContact OD2-CB 3.49Å; D198-K333 PolarHBondContact OD2-N 2.78Å; V199-K333 PolarHBondContact N-O 3.34Å; V199-K333 VanDerWaalsContact N-O 3.13Å
334V98.4Very high94.5Very high0 Ų039.2 Ų39.20%022%0.218CC..EExtended strand (participates in β ladder)trans-98.2131.8-177.1-173.40000111F63 S64 V65 D66 V199 V201 L321 C329 E332F63-V334 HydrophobicContact CD1-CG2 4.12Å; S64-V334 WeakPolarHBondContact O-CB 3.4Å; S64-V334 PolarHBondContact O-N 2.87Å; V65-V334 CarbonylContact C-O 3.59Å; V65-V334 WeakPolarHBondContact CA-O 3.38Å; D66-V334 PolarHBondContact N-O 3.42Å; V199-V334 HydrophobicContact CB-CG1 4.4Å; V199-V334 HydrophobicContact CB-CG2 4.19Å; V199-V334 HydrophobicContact CG1-CG1 4.42Å; V199-V334 CarbonylContact O-C 3.47Å; V199-V334 WeakPolarHBondContact O-CA 3.29Å; V201-V334 HydrophobicContact CG2-CG1 3.7Å; L321-V334 HydrophobicContact CD1-CG1 4.47Å; L321-V334 HydrophobicContact CD2-CG1 4.29Å; C329-V334 HydrophobicContact CB-CG2 4.21Å; E332-V334 PolarHBondContact O-N 2.93Å
335V98.7Very high93.9Very high0 Ų041.8 Ų41.80%022%0.224CC..EExtended strand (participates in β ladder)trans-112119.7169.2-178.70000110D66 K68 L190 I194 P197 V199 V200 V201 I337D66-V335 HydrophobicContact CB-CG2 4.24Å; D66-V335 CarbonylContact O-C 3.47Å; D66-V335 WeakPolarHBondContact O-CA 3.43Å; K68-V335 HydrophobicContact CB-CG1 3.98Å; L190-V335 HydrophobicContact CD1-CB 4.49Å; L190-V335 HydrophobicContact CD1-CG1 3.82Å; L190-V335 HydrophobicContact CD2-CG1 3.8Å; L190-V335 HydrophobicContact CD2-CG2 4.48Å; L190-V335 HydrophobicContact CG-CG1 4.49Å; I194-V335 HydrophobicContact CD1-CG2 3.69Å; P197-V335 HydrophobicContact CB-CB 4.41Å; P197-V335 HydrophobicContact CB-CG2 3.58Å; P197-V335 HydrophobicContact CG-CG2 4.3Å; V199-V335 PolarHBondContact O-N 3.28Å; V200-V335 CarbonylContact C-O 3.57Å; V200-V335 WeakPolarHBondContact CA-O 3.03Å; V200-V335 HydrophobicContact CG2-CB 4.5Å; V201-V335 PolarHBondContact N-O 2.82Å; V335-I337 HydrophobicContact CG1-CD1 4.17Å
336A98.3Very high93.6Very high0 Ų038.6 Ų38.60%022%0.217CC..EExtended strand (participates in β ladder)trans-93126.3172.200000110.9D66 L67 K68 P317 I338D66-A336 PolarHBondContact O-N 3.44Å; L67-A336 HydrophobicContact CD2-CB 3.74Å; K68-A336 PolarHBondContact N-O 3.48Å; P317-A336 HydrophobicContact CB-CB 3.6Å; A336-I338 PolarHBondContact O-N 3.49Å
337I98Very high93Very high0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-85.7110.2178.3-52.5-56.9000110.5K68 E70 I186 L190 V200 V201 V202 P203 L212 I216 V335 G339K68-I337 HydrophobicContact CB-CD1 3.63Å; K68-I337 HydrophobicContact CG-CD1 4Å; E70-I337 HydrophobicContact CG-CG2 4.32Å; I186-I337 HydrophobicContact CG2-CD1 4.01Å; L190-I337 HydrophobicContact CD1-CD1 4Å; V200-I337 HydrophobicContact CG1-CD1 3.82Å; V200-I337 HydrophobicContact CG1-CG1 3.77Å; V201-I337 PolarHBondContact O-N 2.95Å; V202-I337 HydrophobicContact CG2-CG1 3.97Å; P203-I337 WeakPolarHBondContact CD-O 3.36Å; L212-I337 HydrophobicContact CD2-CG2 4.07Å; I216-I337 HydrophobicContact CD1-CD1 4.26Å; I216-I337 HydrophobicContact CD1-CG1 3.9Å; V335-I337 HydrophobicContact CG1-CD1 4.17Å; I337-G339 PolarHBondContact O-N 3.32Å
338I96.7Very high92.3Very high0 Ų037 Ų370%021%0.208CC..  trans-90.692.8175.9-53.8-54.7000108.7L67 K68 M69 E70 S71 V310 V318 A336L67-I338 HydrophobicContact CB-CG1 4.12Å; L67-I338 HydrophobicContact CD2-CD1 4.38Å; L67-I338 HydrophobicContact CD2-CG1 4.44Å; K68-I338 PolarHBondContact O-N 3.04Å; M69-I338 HydrophobicContact CE-CB 4.44Å; M69-I338 HydrophobicContact CE-CG2 4.18Å; M69-I338 HydrophobicContact SD-CB 3.92Å; M69-I338 HydrophobicContact SD-CG1 3.85Å; M69-I338 HydrophobicContact SD-CG2 4.28Å; E70-I338 CarbonylContact C-O 3.53Å; E70-I338 WeakPolarHBondContact CA-O 3.05Å; E70-I338 WeakPolarHBondContact CB-O 3.28Å; E70-I338 PolarHBondContact N-O 2.91Å; S71-I338 PolarHBondContact N-O 3.08Å; V310-I338 HydrophobicContact CB-CG2 4.41Å; V310-I338 HydrophobicContact CG1-CG2 3.41Å; V310-I338 VanDerWaalsContact CG1-CG2 3.41Å; V318-I338 HydrophobicContact CG2-CD1 3.96Å; A336-I338 PolarHBondContact O-N 3.49Å
339G93.3Very high91.7Very high1 Ų135.1 Ų35.11%0.0119%0.19CC..  trans-71.6-31.2-163.900000116.7S77 Y78 I337S77-G339 CarbonylContact C-O 3.46Å; S77-G339 WeakPolarHBondContact CA-O 3.47Å; Y78-G339 WeakPolarHBondContact CD1-O 2.91Å; Y78-G339 PolarHBondContact N-O 3.03Å; I337-G339 PolarHBondContact O-N 3.32Å
340S93.8Very high91.1Very high2 Ų239 Ų391%0.01421%0.21CC..BIsolated β-bridgetrans-163.3149.2-165.528.30000113.5G76 V310 E311 A314G76-S340 VanDerWaalsContact O-CA 3.26Å; G76-S340 WeakPolarHBondContact O-CA 3.5Å; V310-S340 WeakPolarHBondContact CA-O 3.39Å; E311-S340 VanDerWaalsContact CD-CB 3.49Å; E311-S340 VanDerWaalsContact CG-OG 3.27Å; E311-S340 WeakPolarHBondContact CG-OG 3.28Å; E311-S340 PolarHBondContact N-O 3.49Å; E311-S340 WeakPolarHBondContact OE1-CB 3.37Å; E311-S340 PolarHBondContact OE1-OG 2.94Å; A314-S340 WeakPolarHBondContact CB-O 3.27Å
341R93.3Very high90Very high92 Ų9236.6 Ų36.635%0.34720%0.199SC..  trans-121.52.1175.968177.6-166.3-93.7-9.1114.7S71 Q73 G76 I309 I343S71-R341 WeakPolarHBondContact O-CD 3.45Å; S71-R341 VanDerWaalsContact O-CG 3.31Å; S71-R341 WeakPolarHBondContact O-CG 3.2Å; S71-R341 PolarHBondContact O-NH1 2.82Å; Q73-R341 PolarHBondContact O-NH1 2.98Å; Q73-R341 VanDerWaalsContact O-NH1 3.08Å; G76-R341 PolarHBondContact O-N 3.06Å; I309-R341 VanDerWaalsContact O-CB 3.28Å; I309-R341 WeakPolarHBondContact O-CB 3.28Å; R341-I343 VanDerWaalsContact C-N 3.27Å; R341-I343 PolarHBondContact O-N 2.76Å
342N90.6Very high89Confident19 Ų1935 Ų3510%0.10217%0.172CC..  trans-76.683.3-173.3-66-22.8000109.3S75 N109 Y136 K137S75-N342 PolarHBondContact O-ND2 3.44Å; S75-N342 PolarHBondContact O-OD1 3.46Å; N109-N342 WeakPolarHBondContact OD1-CB 3.35Å; N109-N342 PolarHBondContact OD1-ND2 3.25Å; N109-N342 VanDerWaalsContact OD1-ND2 3.12Å; Y136-N342 VanDerWaalsContact OH-C 3.26Å; Y136-N342 PolarHBondContact OH-O 3.16Å; K137-N342 WeakPolarHBondContact CE-O 3.4Å; K137-N342 PolarHBondContact NZ-O 3.49Å
343I88.8Confident88.1Confident21 Ų2139.1 Ų39.111%0.10819%0.185CC..  trans-135.7146.9174.6-174.7155.6000109.2Y136 I309 E311 P312 R341 D347 L348Y136-I343 WeakPolarHBondContact OH-CA 3.17Å; Y136-I343 PolarHBondContact OH-N 3.39Å; I309-I343 HydrophobicContact CG2-CG2 3.73Å; E311-I343 HydrophobicContact CB-CB 4.25Å; P312-I343 VanDerWaalsContact CD-CD1 3.48Å; P312-I343 HydrophobicContact CG-CD1 4.24Å; R341-I343 VanDerWaalsContact C-N 3.27Å; R341-I343 PolarHBondContact O-N 2.76Å; I343-D347 HydrophobicContact CD1-CB 4.43Å; I343-D347 HydrophobicContact CG1-CB 4.22Å; I343-L348 HydrophobicContact CD1-CB 4.04Å
344E85.2Confident86.8Confident84 Ų8442.8 Ų42.839%0.39320%0.201SC..  trans-78.9129.8166.1-160.4168.1-16200108.9Y136 S346 D347 L348Y136-E344 HydrophobicContact CD1-CB 3.65Å; Y136-E344 HydrophobicContact CD1-CG 4.4Å; Y136-E344 HydrophobicContact CE1-CB 3.81Å; Y136-E344 HydrophobicContact CG-CB 4.25Å; E344-S346 WeakPolarHBondContact CG-OG 3.41Å; E344-S346 PolarHBondContact O-N 2.84Å; E344-D347 HydrophobicContact CB-CB 4.44Å; E344-D347 WeakPolarHBondContact O-CB 3.44Å; E344-D347 PolarHBondContact O-N 3.11Å; E344-L348 PolarHBondContact O-N 2.81Å
345L83.1Confident85.1Confident84 Ų8444.7 Ų44.744%0.4421%0.211SC..Hα-helixtrans-58.4-35.4-174.7-178.760.2000112.1I309 D347 L348 L349I309-L345 HydrophobicContact CD1-CD1 4.34Å; L345-D347 VanDerWaalsContact C-N 3.33Å; L345-D347 PolarHBondContact O-N 2.88Å; L345-L348 PolarHBondContact O-N 3.16Å; L345-L349 HydrophobicContact CD1-CD1 4.46Å; L345-L349 HydrophobicContact CD1-CG 4.26Å; L345-L349 HydrophobicContact CG-CD1 4.02Å; L345-L349 HydrophobicContact CG-CG 4.28Å; L345-L349 WeakPolarHBondContact O-CG 3.33Å; L345-L349 PolarHBondContact O-N 3.27Å
346S85.4Confident83.4Confident49 Ų4948.5 Ų48.534%0.34324%0.235SC..Hα-helixtrans-58.8-41.7174.1480000112.5E344 L348 L349 D350E344-S346 WeakPolarHBondContact CG-OG 3.41Å; E344-S346 PolarHBondContact O-N 2.84Å; S346-L348 PolarHBondContact O-N 3.27Å; S346-L349 PolarHBondContact O-N 2.8Å; S346-D350 WeakPolarHBondContact O-CB 3.34Å; S346-D350 PolarHBondContact O-N 2.9Å
347D81.8Confident81.4Confident41 Ų4157.1 Ų57.122%0.21927%0.267CS..Hα-helixtrans-61.6-34.7178.5-70.6-19.1000112.1F259 I343 E344 L345 R351F259-D347 HydrophobicContact CZ-CB 4.35Å; I343-D347 HydrophobicContact CD1-CB 4.43Å; I343-D347 HydrophobicContact CG1-CB 4.22Å; E344-D347 HydrophobicContact CB-CB 4.44Å; E344-D347 WeakPolarHBondContact O-CB 3.44Å; E344-D347 PolarHBondContact O-N 3.11Å; L345-D347 VanDerWaalsContact C-N 3.33Å; L345-D347 PolarHBondContact O-N 2.88Å; D347-R351 PolarHBondContact O-NH2 3.15Å
348L80.2Confident79.3Confident1 Ų161.3 Ų61.31%0.00529%0.29CS..Hα-helixtrans-72.8-49.2176.5-18061.9000110.9C299 I343 E344 L345 S346 D350 R351 Q352C299-L348 HydrophobicContact CB-CD1 3.75Å; I343-L348 HydrophobicContact CD1-CB 4.04Å; E344-L348 PolarHBondContact O-N 2.81Å; L345-L348 PolarHBondContact O-N 3.16Å; S346-L348 PolarHBondContact O-N 3.27Å; L348-D350 VanDerWaalsContact C-N 3.35Å; L348-D350 PolarHBondContact O-N 2.57Å; L348-R351 PolarHBondContact O-N 2.92Å; L348-Q352 PolarHBondContact O-N 3.06Å; L348-Q352 VanDerWaalsContact O-N 3.16Å
349L82.7Confident77.1Confident62 Ų6265.2 Ų65.233%0.32531%0.313SS..Hα-helixtrans-63.9-38-177.8-66.8177.4000112.4L345 S346 R351 Q352 R353L345-L349 HydrophobicContact CD1-CD1 4.46Å; L345-L349 HydrophobicContact CD1-CG 4.26Å; L345-L349 HydrophobicContact CG-CD1 4.02Å; L345-L349 HydrophobicContact CG-CG 4.28Å; L345-L349 WeakPolarHBondContact O-CG 3.33Å; L345-L349 PolarHBondContact O-N 3.27Å; S346-L349 PolarHBondContact O-N 2.8Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.18Å; L349-Q352 PolarHBondContact O-N 2.83Å; L349-R353 WeakPolarHBondContact O-CG 3.36Å; L349-R353 PolarHBondContact O-N 3.1Å; L349-R353 VanDerWaalsContact O-N 3.15Å
350D82Confident74.4Confident86 Ų8669.4 Ų69.446%0.4634%0.342SS..Hα-helixtrans-66.5-30.8179.2-75.3-21.8000112.2S346 L348 R353 F354S346-D350 WeakPolarHBondContact O-CB 3.34Å; S346-D350 PolarHBondContact O-N 2.9Å; L348-D350 VanDerWaalsContact C-N 3.35Å; L348-D350 PolarHBondContact O-N 2.57Å; D350-R353 IonicContact OD1-NH1 3.11Å; D350-R353 PolarHBondContact OD1-NH1 3.15Å; D350-R353 VanDerWaalsContact OD1-NH1 3.11Å; D350-F354 PolarHBondContact O-N 3.25Å
351R72.5Confident72Confident40 Ų4073 Ų7315%0.15136%0.364CS..Hα-helixtrans-77-36.7173.4-71-150.9-14460.765.2114.2F259 I296 D347 L348 L349 R353 F354 I355F259-R351 VanDerWaalsContact CD1-NH2 3.32Å; F259-R351 VanDerWaalsContact CD2-CZ 3.49Å; I296-R351 HydrophobicContact CD1-CB 4.17Å; I296-R351 HydrophobicContact CG1-CB 4.45Å; I296-R351 HydrophobicContact CG2-CB 4.41Å; D347-R351 PolarHBondContact O-NH2 3.15Å; L348-R351 PolarHBondContact O-N 2.92Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.18Å; R351-R353 PolarHBondContact O-N 3.04Å; R351-F354 WeakPolarHBondContact O-CB 3.46Å; R351-F354 PolarHBondContact O-N 2.81Å; R351-I355 PolarHBondContact O-N 3.3Å; R351-I355 VanDerWaalsContact O-N 3.1Å
352Q73.6Confident69.6Low40 Ų4072 Ų7219%0.18737%0.374CS..Hα-helixtrans-56.2-39.8171.7-72.5179.9-26.200110.9I296 S300 L348 L349 F354 T356I296-Q352 HydrophobicContact CG2-CG 4.06Å; S300-Q352 PolarHBondContact OG-NE2 2.99Å; L348-Q352 PolarHBondContact O-N 3.06Å; L348-Q352 VanDerWaalsContact O-N 3.16Å; L349-Q352 PolarHBondContact O-N 2.83Å; Q352-F354 VanDerWaalsContact C-N 3.34Å; Q352-F354 PolarHBondContact O-N 3.15Å; Q352-T356 WeakPolarHBondContact O-CG2 3.41Å; Q352-T356 PolarHBondContact O-N 3.48Å; Q352-T356 VanDerWaalsContact O-N 3.15Å; Q352-T356 PolarHBondContact O-OG1 3.35Å
353R77.4Confident67.3Low143 Ų14377.1 Ų77.154%0.5441%0.406SS..Hα-helixtrans-66.2-32.7175.2-70.1170.3177.6168.3-3.8113.6L349 D350 R351 T356 R357L349-R353 WeakPolarHBondContact O-CG 3.36Å; L349-R353 PolarHBondContact O-N 3.1Å; L349-R353 VanDerWaalsContact O-N 3.15Å; D350-R353 IonicContact OD1-NH1 3.11Å; D350-R353 PolarHBondContact OD1-NH1 3.15Å; D350-R353 VanDerWaalsContact OD1-NH1 3.11Å; R351-R353 PolarHBondContact O-N 3.04Å; R353-T356 WeakPolarHBondContact CA-OG1 3.37Å; R353-T356 PolarHBondContact O-OG1 3.12Å; R353-T356 VanDerWaalsContact O-OG1 3.12Å; R353-R357 VanDerWaalsContact O-CG 3.3Å; R353-R357 WeakPolarHBondContact O-CG 3.25Å; R353-R357 PolarHBondContact O-N 3.24Å
354F69.1Low65.2Low134 Ų13480.2 Ų80.259%0.58844%0.435SS*.Hα-helixtrans-69-49.8178.1-168.9-95.6000111.1D350 R351 Q352 T356 R357 D358D350-F354 PolarHBondContact O-N 3.25Å; R351-F354 WeakPolarHBondContact O-CB 3.46Å; R351-F354 PolarHBondContact O-N 2.81Å; Q352-F354 VanDerWaalsContact C-N 3.34Å; Q352-F354 PolarHBondContact O-N 3.15Å; F354-T356 PolarHBondContact O-N 3.3Å; F354-R357 PolarHBondContact O-N 3.35Å; F354-D358 VanDerWaalsContact CE1-OD2 3.25Å; F354-D358 WeakPolarHBondContact CE1-OD2 3.3Å; F354-D358 PolarHBondContact O-N 2.88Å
355I63.5Low62.8Low40 Ų4089 Ų8921%0.20546%0.464CS..Hα-helixtrans-62.7-44.6-179.2-64176.9000111.5D293 I296 R351 R357 D358 T359D293-I355 HydrophobicContact CB-CD1 4.32Å; I296-I355 HydrophobicContact CB-CD1 3.36Å; I296-I355 HydrophobicContact CG1-CD1 3.74Å; I296-I355 HydrophobicContact CG2-CD1 3.48Å; I296-I355 VanDerWaalsContact CG2-CD1 3.48Å; R351-I355 PolarHBondContact O-N 3.3Å; R351-I355 VanDerWaalsContact O-N 3.1Å; I355-R357 VanDerWaalsContact C-N 3.27Å; I355-R357 PolarHBondContact O-N 3.43Å; I355-D358 PolarHBondContact O-N 3.08Å; I355-T359 PolarHBondContact O-N 3Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 3.36Å; I355-T359 VanDerWaalsContact O-OG1 3.08Å
356T61.5Low61.8Low80 Ų8089.2 Ų89.249%0.49147%0.466SS..Hα-helixtrans-61.1-34.8179.546.30000112.7Q352 R353 F354 T359 C360Q352-T356 WeakPolarHBondContact O-CG2 3.41Å; Q352-T356 PolarHBondContact O-N 3.48Å; Q352-T356 VanDerWaalsContact O-N 3.15Å; Q352-T356 PolarHBondContact O-OG1 3.35Å; R353-T356 WeakPolarHBondContact CA-OG1 3.37Å; R353-T356 PolarHBondContact O-OG1 3.12Å; R353-T356 VanDerWaalsContact O-OG1 3.12Å; F354-T356 PolarHBondContact O-N 3.3Å; T356-T359 WeakPolarHBondContact CA-OG1 3.41Å; T356-T359 PolarHBondContact O-OG1 3.47Å; T356-C360 PolarHBondContact O-N 3.23Å; T356-C360 PolarHBondContact O-SG 3.39Å; T356-C360 VanDerWaalsContact O-SG 3.35Å
357R57.5Low60.6Low180 Ų18091.3 Ų91.368%0.67947%0.472SS*.Hα-helixtrans-68.9-42.1176.4-76.2175.9179.2-1781.3112.2R353 F354 I355 C360 V361R353-R357 VanDerWaalsContact O-CG 3.3Å; R353-R357 WeakPolarHBondContact O-CG 3.25Å; R353-R357 PolarHBondContact O-N 3.24Å; F354-R357 PolarHBondContact O-N 3.35Å; I355-R357 VanDerWaalsContact C-N 3.27Å; I355-R357 PolarHBondContact O-N 3.43Å; R357-C360 PolarHBondContact O-N 3.07Å; R357-V361 WeakPolarHBondContact O-CG2 3.38Å; R357-V361 PolarHBondContact O-N 3.23Å; R357-V361 VanDerWaalsContact O-N 3.07Å
358D53.7Low59.4Low89 Ų8994.1 Ų94.148%0.47649%0.486SS..Hα-helixtrans-67.5-37.4-179.7-73.7-19.7000112F354 I355 C360 V361 A362F354-D358 VanDerWaalsContact CE1-OD2 3.25Å; F354-D358 WeakPolarHBondContact CE1-OD2 3.3Å; F354-D358 PolarHBondContact O-N 2.88Å; I355-D358 PolarHBondContact O-N 3.08Å; D358-C360 PolarHBondContact O-N 3.22Å; D358-V361 PolarHBondContact O-N 3.25Å; D358-A362 WeakPolarHBondContact O-CB 3.41Å; D358-A362 PolarHBondContact O-N 3.11Å
359T49.8Very low58.2Low81 Ų8199.6 Ų99.650%0.49751%0.514SS..Hα-helixtrans-63-38.8171.839.20000113I355 T356 A362 V363I355-T359 PolarHBondContact O-N 3Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 3.36Å; I355-T359 VanDerWaalsContact O-OG1 3.08Å; T356-T359 WeakPolarHBondContact CA-OG1 3.41Å; T356-T359 PolarHBondContact O-OG1 3.47Å; T359-A362 PolarHBondContact O-N 3.49Å; T359-V363 VanDerWaalsContact O-CG2 3.29Å; T359-V363 WeakPolarHBondContact O-CG2 3.29Å; T359-V363 PolarHBondContact O-N 3.38Å
360C38Very low56.7Low90 Ų90101.9 Ų101.961%0.60853%0.526SS*.Hα-helixtrans-69.2-35177.9-73.50000112.6T356 R357 D358 A364T356-C360 PolarHBondContact O-N 3.23Å; T356-C360 PolarHBondContact O-SG 3.39Å; T356-C360 VanDerWaalsContact O-SG 3.35Å; R357-C360 PolarHBondContact O-N 3.07Å; D358-C360 PolarHBondContact O-N 3.22Å; C360-A364 WeakPolarHBondContact O-CB 3.42Å; C360-A364 PolarHBondContact O-N 3.32Å
361V43.1Very low55Low78 Ų78103 Ų10347%0.47353%0.531SS..Hα-helixtrans-74.5-34.1177.8176.40000111.5R357 D358 A364R357-V361 WeakPolarHBondContact O-CG2 3.38Å; R357-V361 PolarHBondContact O-N 3.23Å; R357-V361 VanDerWaalsContact O-N 3.07Å; D358-V361 PolarHBondContact O-N 3.25Å; V361-A364 PolarHBondContact O-N 3.22Å
362A41.5Very low53.7Low69 Ų69107.5 Ų107.557%0.5756%0.558SS**Hα-helixtrans-70.4-28.1176.500000113.5D358 T359D358-A362 WeakPolarHBondContact O-CB 3.41Å; D358-A362 PolarHBondContact O-N 3.11Å; T359-A362 PolarHBondContact O-N 3.49Å
363V43.5Very low52.2Low128 Ų128112.7 Ų112.778%0.77659%0.586SS**Hα-helixtrans-84.2-17.2175.8177.60000112.2T359T359-V363 VanDerWaalsContact O-CG2 3.29Å; T359-V363 WeakPolarHBondContact O-CG2 3.29Å; T359-V363 PolarHBondContact O-N 3.38Å
364A43.3Very low50.1Low86 Ų86110.2 Ų110.271%0.71159%0.59SS**  trans-92.8-0.117900000114.4C360 V361C360-A364 WeakPolarHBondContact O-CB 3.42Å; C360-A364 PolarHBondContact O-N 3.32Å; V361-A364 PolarHBondContact O-N 3.22Å
365R36.5Very low48.4Very low267 Ų267108 Ų108100%1.00859%0.59SS**  trans-110.50171.6-70.7-177.2177.2-178.71.3109.6

Retrieved 365 of 365 residues in 1357 ms (Link to these results)

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