A0A077Z5N3_TRITR Loading...

Reprolysin and Disintegrin and ADAM CR domain con taining protein

AlphaFold DB , UniProt , Accession A0A077Z5N3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 915 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
1M35.6Very low34.2Very low240 Ų240151.5 Ų151.5100%1.18282%0.821SS**  0110.50-72.1179.2177.700106.6M3M1-M3 PolarHBondContact O-N 3.33Å
2A31.1Very low34.9Very low104 Ų104147.3 Ų147.386%0.8681%0.807SS**  trans-68.5118179.500000108.4E4A2-E4 PolarHBondContact O-N 2.75Å
3M30.5Very low34.9Very low181 Ų181148.5 Ų148.589%0.89279%0.794SS**  trans-79.3107.6173.1-78.6-172146.300108.2M1 H5M1-M3 PolarHBondContact O-N 3.33Å; M3-H5 PolarHBondContact O-N 3.44Å
4E32.6Very low35Very low170 Ų170147.4 Ų147.479%0.79478%0.779SS**  trans-65.4120.9167.9-78.1177.7142.800109.4A2 H6A2-E4 PolarHBondContact O-N 2.75Å; E4-H6 PolarHBondContact O-N 3.14Å; E4-H6 VanDerWaalsContact O-N 3.13Å
5H29.8Very low35Very low192 Ų192144.6 Ų144.689%0.88976%0.76SS**  trans-70.299.1172.2-83.6-80.7000109.6M3 G7M3-H5 PolarHBondContact O-N 3.44Å; H5-G7 PolarHBondContact O-N 2.84Å
6H33.8Very low35.1Very low174 Ų174146.6 Ų146.681%0.80675%0.754SS**  trans-70.5111.8162.1-79.8-74.5000109E4 E8E4-H6 PolarHBondContact O-N 3.14Å; E4-H6 VanDerWaalsContact O-N 3.13Å; H6-E8 PolarHBondContact O-N 3.27Å
7G32.9Very low35.2Very low78 Ų78142.4 Ų142.480%0.80473%0.732SS**  trans-64.7110.4172.400000110.2H5 E9H5-G7 PolarHBondContact O-N 2.84Å; G7-E9 PolarHBondContact O-N 3.28Å
8E35.7Very low34.9Very low192 Ų192144.8 Ų144.890%0.89773%0.731SS**  trans-72111.9177.2-139.2169.8-174.700109.2H6 S10H6-E8 PolarHBondContact O-N 3.27Å; E8-S10 PolarHBondContact O-N 3.18Å; E8-S10 VanDerWaalsContact O-N 3.1Å
9E35.6Very low34.8Very low191 Ų191147.8 Ų147.889%0.89373%0.732SS**  trans-66.3104.6-178.5-157.9171.9-162.600109.3G7 S11G7-E9 PolarHBondContact O-N 3.28Å; E9-S11 PolarHBondContact O-N 3.21Å; E9-S11 VanDerWaalsContact O-N 3.12Å
10S41.6Very low34.9Very low78 Ų78146.8 Ų146.855%0.54573%0.726SS.*  trans-60.5115-173.860.70000111.7E8E8-S10 PolarHBondContact O-N 3.18Å; E8-S10 VanDerWaalsContact O-N 3.1Å
11S37.4Very low35.1Very low67 Ų67144.6 Ų144.647%0.46972%0.72SS.*  trans-51.6139.9179.2172.30000113.1E9 Y13 F14E9-S11 PolarHBondContact O-N 3.21Å; E9-S11 VanDerWaalsContact O-N 3.12Å; S11-Y13 PolarHBondContact O-N 3.36Å; S11-F14 PolarHBondContact O-N 3.49Å
12P42.8Very low35.2Very low101 Ų101137.3 Ų137.366%0.65669%0.689SS**Hα-helixtrans-56.9-17.9-177.616.7-28.5000114.9Q15 R16P12-Q15 PolarHBondContact O-N 3.28Å; P12-R16 PolarHBondContact O-N 3.38Å
13Y34.8Very low35.6Very low162 Ų162136 Ų13664%0.63567%0.674SS**Hα-helixtrans-62.5-41.5172.3-174.5-102.3000112.6S11 R16 I17S11-Y13 PolarHBondContact O-N 3.36Å; Y13-R16 PolarHBondContact O-N 3.15Å; Y13-I17 HydrophobicContact CD1-CD1 4.35Å; Y13-I17 HydrophobicContact CE1-CD1 3.81Å; Y13-I17 PolarHBondContact O-N 3.23Å
14F36.4Very low36.3Very low133 Ų133134.1 Ų134.158%0.58367%0.666SS**Hα-helixtrans-71.1-32178.4-94.2-81000112.8S11 R16 I17 R18S11-F14 PolarHBondContact O-N 3.49Å; F14-R16 VanDerWaalsContact C-N 3.28Å; F14-R16 PolarHBondContact O-N 3.26Å; F14-I17 PolarHBondContact O-N 3.06Å; F14-R18 WeakPolarHBondContact O-CB 3.4Å; F14-R18 PolarHBondContact O-N 2.98Å
15Q34Very low37.4Very low106 Ų106127.8 Ų127.850%0.49564%0.642SS.*Hα-helixtrans-66-31.3174.8-71.8-175.2-2.800112.3P12 R19P12-Q15 PolarHBondContact O-N 3.28Å; Q15-R19 PolarHBondContact O-N 2.92Å
16R37Very low39.2Very low177 Ų177126 Ų12667%0.66863%0.632SS**Hα-helixtrans-68.8-46.2175.9-160.9178.2-162.3167.16.6111.8P12 Y13 F14 R18 R19 E20P12-R16 PolarHBondContact O-N 3.38Å; Y13-R16 PolarHBondContact O-N 3.15Å; F14-R16 VanDerWaalsContact C-N 3.28Å; F14-R16 PolarHBondContact O-N 3.26Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.25Å; R16-R19 PolarHBondContact O-N 3.46Å; R16-E20 PolarHBondContact O-N 2.91Å
17I36.6Very low41.5Very low75 Ų75120.7 Ų120.739%0.38561%0.612SS.*Hα-helixtrans-60.6-43.7175.2-63.4-176.5000110.4Y13 F14 R19 E20 T21Y13-I17 HydrophobicContact CD1-CD1 4.35Å; Y13-I17 HydrophobicContact CE1-CD1 3.81Å; Y13-I17 PolarHBondContact O-N 3.23Å; F14-I17 PolarHBondContact O-N 3.06Å; I17-R19 PolarHBondContact O-N 3.46Å; I17-E20 PolarHBondContact O-N 3.39Å; I17-E20 VanDerWaalsContact O-N 3.14Å; I17-T21 PolarHBondContact O-N 3.43Å; I17-T21 PolarHBondContact O-OG1 2.93Å
18R30.2Very low44Very low185 Ų185117.8 Ų117.870%0.69858%0.579SS**Hα-helixtrans-61.3-41.8178.6-158.5179.8-148.6166.87.5112.5F14 R16 E20 T21 V22F14-R18 WeakPolarHBondContact O-CB 3.4Å; F14-R18 PolarHBondContact O-N 2.98Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.25Å; R18-E20 VanDerWaalsContact C-N 3.33Å; R18-T21 PolarHBondContact O-N 2.67Å; R18-T21 PolarHBondContact O-OG1 2.76Å; R18-V22 WeakPolarHBondContact O-CB 3.04Å; R18-V22 WeakPolarHBondContact O-CG2 3.27Å; R18-V22 PolarHBondContact O-N 3.27Å
19R32.1Very low46.5Very low203 Ų203115.1 Ų115.177%0.76657%0.57SS**Hα-helixtrans-66.9-32175.3-83.4-175.9178.1159.61.5112.9Q15 R16 I17 S23Q15-R19 PolarHBondContact O-N 2.92Å; R16-R19 PolarHBondContact O-N 3.46Å; I17-R19 PolarHBondContact O-N 3.46Å; R19-S23 WeakPolarHBondContact O-CB 3.36Å; R19-S23 PolarHBondContact O-N 3.38Å; R19-S23 VanDerWaalsContact O-N 3.07Å
20E37.3Very low49.1Very low127 Ų127107.9 Ų107.959%0.59354%0.535SS*.Hα-helixtrans-76.1-35.9175.6-80.3171.5-177.100112.5R16 I17 R18R16-E20 PolarHBondContact O-N 2.91Å; I17-E20 PolarHBondContact O-N 3.39Å; I17-E20 VanDerWaalsContact O-N 3.14Å; R18-E20 VanDerWaalsContact C-N 3.33Å
21T40.2Very low51.5Low101 Ų101104.5 Ų104.562%0.6251%0.511SS*.Hα-helixtrans-77.5-24.8175.238.90000114.8I17 R18I17-T21 PolarHBondContact O-N 3.43Å; I17-T21 PolarHBondContact O-OG1 2.93Å; R18-T21 PolarHBondContact O-N 2.67Å; R18-T21 PolarHBondContact O-OG1 2.76Å
22V37.6Very low53.9Low86 Ų86105.7 Ų105.752%0.52152%0.524SS..SBendtrans-104.63.8179.9-172.60000111.9R18 I24R18-V22 WeakPolarHBondContact O-CB 3.04Å; R18-V22 WeakPolarHBondContact O-CG2 3.27Å; R18-V22 PolarHBondContact O-N 3.27Å; V22-I24 PolarHBondContact O-N 2.89Å
23S37.8Very low56Low77 Ų77108.5 Ų108.554%0.53853%0.526SS..SBendtrans-60.389.8156.7162.50000106.4R19 A25R19-S23 WeakPolarHBondContact O-CB 3.36Å; R19-S23 PolarHBondContact O-N 3.38Å; R19-S23 VanDerWaalsContact O-N 3.07Å; S23-A25 PolarHBondContact O-N 3.32Å
24I46.8Very low58.5Low142 Ų142103.4 Ų103.473%0.72851%0.506SS*.  trans-25.8116.5166-64.5162.3000105.9V22 K26V22-I24 PolarHBondContact O-N 2.89Å; I24-K26 PolarHBondContact O-N 3.27Å
25A54.3Low60.8Low36 Ų3699 Ų9930%0.29849%0.49SS..  trans-61.171.3-167.100000110.8S23 V27 I210S23-A25 PolarHBondContact O-N 3.32Å; A25-V27 PolarHBondContact O-N 3.29Å; A25-I210 HydrophobicContact CB-CD1 3.63Å; A25-I210 HydrophobicContact CB-CG1 4.19Å
26K68.4Low63Low155 Ų15597.5 Ų97.567%0.67449%0.491SS*.PPolyproline II helixtrans-66.1116.1-179.6-173-175177.5-162.30103.6I24 P28I24-K26 PolarHBondContact O-N 3.27Å; K26-P28 VanDerWaalsContact O-CD 3.31Å; K26-P28 WeakPolarHBondContact O-CD 3.06Å; K26-P28 VanDerWaalsContact O-N 3.1Å
27V80.9Confident64.8Low63 Ų6396.9 Ų96.938%0.38250%0.501SS..PPolyproline II helixtrans-50.2120.4176.8-178.40000107.4A25 Y31 P80A25-V27 PolarHBondContact O-N 3.29Å; V27-Y31 HydrophobicContact CG1-CD1 3.39Å; V27-Y31 HydrophobicContact CG1-CD2 4.1Å; V27-Y31 HydrophobicContact CG1-CE1 3.99Å; V27-Y31 HydrophobicContact CG1-CG 3.43Å; V27-Y31 VanDerWaalsContact CG1-CG 3.43Å; V27-P80 HydrophobicContact CG1-CB 4.48Å; V27-P80 HydrophobicContact CG2-CB 4.03Å; V27-P80 HydrophobicContact CG2-CG 4.43Å
28P86.6Confident66.9Low17 Ų1798.8 Ų98.811%0.1150%0.504CS..PPolyproline II helixtrans-57.1142-178.6-27.434.4000111.8K26 Y30 Y31 P194K26-P28 VanDerWaalsContact O-CD 3.31Å; K26-P28 WeakPolarHBondContact O-CD 3.06Å; K26-P28 VanDerWaalsContact O-N 3.1Å; P28-Y30 HydrophobicContact CB-CD1 3.7Å; P28-Y30 HydrophobicContact CB-CE1 3.33Å; P28-Y30 HydrophobicContact CB-CE2 4.32Å; P28-Y30 HydrophobicContact CB-CG 4.33Å; P28-Y30 HydrophobicContact CG-CE1 4.06Å; P28-Y30 PolarHBondContact O-N 2.95Å; P28-Y31 HydrophobicContact CB-CD2 3.94Å; P28-Y31 HydrophobicContact CB-CE2 4.09Å; P28-Y31 HydrophobicContact CG-CD2 4.09Å; P28-Y31 HydrophobicContact CG-CE2 3.75Å; P28-Y31 WeakPolarHBondContact O-CB 3.46Å; P28-Y31 WeakPolarHBondContact O-CD2 3.49Å; P28-Y31 PolarHBondContact O-N 2.85Å; P28-P194 HydrophobicContact CG-CG 3.9Å
29D87.2Confident69.6Low135 Ų13593.8 Ų93.872%0.72249%0.485SS*.G310 helixtrans-56.5-28-174.4-62.3-20.8000113.1Y31 A32D29-Y31 PolarHBondContact O-N 3.38Å; D29-A32 PolarHBondContact O-N 2.8Å
30Y91.4Very high72.5Confident40 Ų4084.6 Ų84.616%0.15745%0.451CS..G310 helixtrans-68.3-15.2178.464.7-106.6000114.1P28 A32 K33 Y34 E192 P194 W212 L217P28-Y30 HydrophobicContact CB-CD1 3.7Å; P28-Y30 HydrophobicContact CB-CE1 3.33Å; P28-Y30 HydrophobicContact CB-CE2 4.32Å; P28-Y30 HydrophobicContact CB-CG 4.33Å; P28-Y30 HydrophobicContact CG-CE1 4.06Å; P28-Y30 PolarHBondContact O-N 2.95Å; Y30-A32 VanDerWaalsContact C-N 3.28Å; Y30-A32 PolarHBondContact O-N 3.2Å; Y30-K33 WeakPolarHBondContact O-CB 3.12Å; Y30-K33 PolarHBondContact O-N 3.19Å; Y30-Y34 VanDerWaalsContact O-CD2 3.25Å; Y30-Y34 WeakPolarHBondContact O-CD2 3.32Å; Y30-E192 HydrophobicContact CD1-CB 4.5Å; Y30-E192 HydrophobicContact CE1-CB 4.32Å; Y30-E192 PolarHBondContact OH-O 3.15Å; Y30-P194 WeakPolarHBondContact OH-CD 3.44Å; Y30-W212 PolarHBondContact OH-O 3.35Å; Y30-L217 HydrophobicContact CD2-CD1 3.74Å; Y30-L217 HydrophobicContact CE2-CD1 3.69Å
31Y91.8Very high75.2Confident7 Ų779.3 Ų79.33%0.02743%0.426CS..G310 helixtrans-61.8-38.2177.1-86.1-128.4000112V27 P28 D29 K33 Y34 V35 P80 L81 W212 L217V27-Y31 HydrophobicContact CG1-CD1 3.39Å; V27-Y31 HydrophobicContact CG1-CD2 4.1Å; V27-Y31 HydrophobicContact CG1-CE1 3.99Å; V27-Y31 HydrophobicContact CG1-CG 3.43Å; V27-Y31 VanDerWaalsContact CG1-CG 3.43Å; P28-Y31 HydrophobicContact CB-CD2 3.94Å; P28-Y31 HydrophobicContact CB-CE2 4.09Å; P28-Y31 HydrophobicContact CG-CD2 4.09Å; P28-Y31 HydrophobicContact CG-CE2 3.75Å; P28-Y31 WeakPolarHBondContact O-CB 3.46Å; P28-Y31 WeakPolarHBondContact O-CD2 3.49Å; P28-Y31 PolarHBondContact O-N 2.85Å; D29-Y31 PolarHBondContact O-N 3.38Å; Y31-K33 PolarHBondContact O-N 3.16Å; Y31-Y34 PolarHBondContact O-N 3.1Å; Y31-V35 HydrophobicContact CD1-CG2 4.1Å; Y31-V35 PolarHBondContact O-N 3.33Å; Y31-P80 HydrophobicContact CD1-CB 4.28Å; Y31-P80 HydrophobicContact CE1-CB 3.86Å; Y31-L81 HydrophobicContact CD1-CD2 4.08Å; Y31-L81 HydrophobicContact CE1-CD2 3.7Å; Y31-W212 WeakPolarHBondContact CE2-O 3.31Å; Y31-W212 WeakPolarHBondContact OH-CB 3.48Å; Y31-W212 PolarHBondContact OH-N 2.81Å; Y31-L217 HydrophobicContact CD1-CD1 4.21Å; Y31-L217 HydrophobicContact CD1-CD2 4.49Å; Y31-L217 HydrophobicContact CD2-CD1 3.59Å; Y31-L217 HydrophobicContact CE1-CD2 4.39Å; Y31-L217 HydrophobicContact CE2-CD1 3.91Å; Y31-L217 HydrophobicContact CG-CD1 3.77Å
32A86.5Confident77.9Confident91 Ų9174.5 Ų74.575%0.75240%0.396SS*.G310 helixtrans-59.7-16.7-178.500000113.6D29 Y30D29-A32 PolarHBondContact O-N 2.8Å; Y30-A32 VanDerWaalsContact C-N 3.28Å; Y30-A32 PolarHBondContact O-N 3.2Å
33K88.2Confident80.7Confident160 Ų16071.8 Ų71.870%0.69638%0.378SS*.G310 helixtrans-77.5-24.1175.5-175.9-178.4169.4-1550113.2Y30 Y31Y30-K33 WeakPolarHBondContact O-CB 3.12Å; Y30-K33 PolarHBondContact O-N 3.19Å; Y31-K33 PolarHBondContact O-N 3.16Å
34Y88.1Confident83.6Confident56 Ų5668.1 Ų68.122%0.2235%0.352CS..THydrogen-bonded Turntrans-121.3-32.7-167.7-56.7-79.6000113.8Y30 Y31 L217 E218 A221Y30-Y34 VanDerWaalsContact O-CD2 3.25Å; Y30-Y34 WeakPolarHBondContact O-CD2 3.32Å; Y31-Y34 PolarHBondContact O-N 3.1Å; Y34-L217 HydrophobicContact CD1-CB 4.36Å; Y34-L217 HydrophobicContact CD2-CB 3.68Å; Y34-L217 HydrophobicContact CD2-CD1 3.81Å; Y34-L217 HydrophobicContact CD2-CG 4.44Å; Y34-L217 HydrophobicContact CE2-CB 4.36Å; Y34-L217 HydrophobicContact CG-CB 3.69Å; Y34-L217 HydrophobicContact CG-CD1 4.45Å; Y34-E218 HydrophobicContact CE1-CB 4.11Å; Y34-A221 HydrophobicContact CD1-CB 4.5Å
35V84.6Confident86Confident41 Ų4161.4 Ų61.425%0.24832%0.318CS..  trans-79.1131.4-175.6-178.90000109.9Y31 L81 N82Y31-V35 HydrophobicContact CD1-CG2 4.1Å; Y31-V35 PolarHBondContact O-N 3.33Å; V35-L81 HydrophobicContact CG2-CD2 4.18Å; V35-N82 HydrophobicContact CG1-CB 4.19Å
36S78.6Confident88.1Confident74 Ų7459.8 Ų59.852%0.51730%0.304SS..  trans-88.4150.9175.7-177.60000110.9R38 N82S36-R38 PolarHBondContact O-N 3.4Å; S36-R38 PolarHBondContact OG-N 3.13Å; S36-N82 PolarHBondContact O-ND2 3.06Å
37D76.3Confident89.5Confident163 Ų16352.4 Ų52.487%0.87227%0.272SS*.SBendtrans-68.2-10.1170.4-61.9-30.9000112.7R39 N82D37-R39 PolarHBondContact O-N 3.47Å; D37-N82 PolarHBondContact O-ND2 3.46Å
38R80.6Confident90.3Very high115 Ų11549.4 Ų49.443%0.43425%0.254SS..SBendtrans-70.7119.7178.3-168.5-179.6-164.7-173.26.4111.4S36 L40 N82 D229 L233S36-R38 PolarHBondContact O-N 3.4Å; S36-R38 PolarHBondContact OG-N 3.13Å; R38-L40 HydrophobicContact CG-CD2 4.38Å; R38-L40 PolarHBondContact O-N 3.02Å; R38-N82 PolarHBondContact O-ND2 2.94Å; R38-D229 IonicContact NH1-OD2 3.45Å; R38-D229 PolarHBondContact NH1-OD2 2.71Å; R38-D229 VanDerWaalsContact NH1-OD2 3.1Å; R38-L233 VanDerWaalsContact NH2-CD1 3.3Å
39R85.9Confident90.7Very high81 Ų8149 Ų4931%0.30625%0.251SS..  trans-71.8122.2175.1-158.8174.9-175.2-156.5-3.3110.5D37 F41 N82 H84 G248D37-R39 PolarHBondContact O-N 3.47Å; R39-F41 HydrophobicContact CG-CE1 4.43Å; R39-F41 HydrophobicContact CG-CE2 4.39Å; R39-F41 HydrophobicContact CG-CZ 4.01Å; R39-N82 PolarHBondContact N-ND2 2.93Å; R39-H84 WeakPolarHBondContact CG-CD2 3.47Å; R39-H84 WeakPolarHBondContact CG-NE2 3.17Å; R39-H84 PolarHBondContact NE-CD2 3.29Å; R39-H84 VanDerWaalsContact NE-CD2 3.27Å; R39-H84 PolarHBondContact NE-NE2 2.92Å; R39-G248 PolarHBondContact NH2-O 2.95Å
40L93.3Very high91.1Very high10 Ų1044.4 Ų44.45%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-113.2147.5178.4-62.6177.9000110R38 N82 I83 H84 L224 D229 L232 L233R38-L40 HydrophobicContact CG-CD2 4.38Å; R38-L40 PolarHBondContact O-N 3.02Å; L40-N82 PolarHBondContact N-O 3.19Å; L40-I83 HydrophobicContact CB-CG1 4.05Å; L40-I83 HydrophobicContact CD1-CG1 4.08Å; L40-I83 CarbonylContact O-C 3.43Å; L40-I83 WeakPolarHBondContact O-CA 3.3Å; L40-H84 PolarHBondContact O-N 2.92Å; L40-L224 HydrophobicContact CD1-CD1 3.83Å; L40-L224 HydrophobicContact CD1-CD2 3.67Å; L40-L224 HydrophobicContact CD1-CG 4.39Å; L40-D229 HydrophobicContact CD2-CB 4.43Å; L40-L232 CarbonylContact C-O 3.29Å; L40-L232 WeakPolarHBondContact CA-O 3.48Å; L40-L232 HydrophobicContact CB-CB 4.09Å; L40-L232 HydrophobicContact CD1-CD1 4.42Å; L40-L232 HydrophobicContact CD2-CB 4.17Å; L40-L233 HydrophobicContact CD2-CD2 3.7Å
41F94.9Very high91.3Very high15 Ų1543.6 Ų43.67%0.06623%0.226CC..EExtended strand (participates in β ladder)trans-122.8131.1-178-59-82.2000109.9R39 H84 L232 N234 E235 F249R39-F41 HydrophobicContact CG-CE1 4.43Å; R39-F41 HydrophobicContact CG-CE2 4.39Å; R39-F41 HydrophobicContact CG-CZ 4.01Å; F41-H84 CarbonylContact C-O 3.41Å; F41-H84 WeakPolarHBondContact CA-O 3.29Å; F41-H84 HydrophobicContact CD1-CB 3.93Å; F41-H84 HydrophobicContact CE1-CB 4.33Å; F41-L232 PolarHBondContact N-O 2.88Å; F41-L232 WeakPolarHBondContact O-CA 3.01Å; F41-L232 WeakPolarHBondContact O-CB 3.38Å; F41-L232 WeakPolarHBondContact O-CD2 3.29Å; F41-N234 WeakPolarHBondContact CB-O 3.21Å; F41-E235 HydrophobicContact CD1-CB 4.39Å; F41-E235 HydrophobicContact CD1-CG 4.12Å; F41-E235 HydrophobicContact CD2-CB 4.06Å; F41-E235 HydrophobicContact CE1-CB 4.17Å; F41-E235 HydrophobicContact CE1-CG 3.72Å; F41-E235 HydrophobicContact CE2-CB 3.84Å; F41-E235 HydrophobicContact CE2-CG 4.28Å; F41-E235 HydrophobicContact CG-CB 4.32Å; F41-E235 HydrophobicContact CZ-CB 3.87Å; F41-E235 HydrophobicContact CZ-CG 3.8Å; F41-F249 AromaticContact CD1-CE1 3.84Å; F41-F249 HydrophobicContact CD1-CE1 3.84Å; F41-F249 HydrophobicContact CE1-CE1 4.15Å
42L96.7Very high91.4Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-117.2112.2179-179.970.2000109.6L44 I83 H84 V85 A86 D127 V128 I150 I178 F182 L232L42-L44 PolarHBondContact O-N 3.45Å; L42-I83 HydrophobicContact CB-CG2 4.13Å; L42-H84 PolarHBondContact N-O 3.19Å; L42-V85 HydrophobicContact CB-CG2 4.29Å; L42-V85 HydrophobicContact CD2-CG1 4.3Å; L42-V85 HydrophobicContact CD2-CG2 4.03Å; L42-V85 WeakPolarHBondContact O-CA 3.3Å; L42-A86 PolarHBondContact O-N 2.93Å; L42-D127 HydrophobicContact CD1-CB 3.77Å; L42-V128 HydrophobicContact CD1-CB 4.44Å; L42-V128 HydrophobicContact CD1-CG1 3.83Å; L42-V128 HydrophobicContact CD2-CG1 3.99Å; L42-V128 HydrophobicContact CG-CG1 3.94Å; L42-I150 HydrophobicContact CD1-CD1 3.53Å; L42-I150 HydrophobicContact CD1-CG1 4.35Å; L42-I178 HydrophobicContact CD2-CG2 3.8Å; L42-F182 HydrophobicContact CD1-CZ 4.46Å; L42-F182 HydrophobicContact CD2-CE2 4.11Å; L42-F182 HydrophobicContact CD2-CZ 4.33Å; L42-L232 HydrophobicContact CB-CD2 4.15Å; L42-L232 HydrophobicContact CD1-CD2 3.5Å; L42-L232 HydrophobicContact CG-CD2 4.45Å
43E96.5Very high91.8Very high30 Ų3040.6 Ų40.614%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-79.2102.4176.5-61.5-174.3150.700110.5V88 D127 V128 N234 P236E43-V88 HydrophobicContact CB-CB 4.47Å; E43-V88 HydrophobicContact CB-CG1 3.73Å; E43-V88 HydrophobicContact CB-CG2 3.92Å; E43-V88 HydrophobicContact CG-CG1 3.86Å; E43-D127 HydrophobicContact CB-CB 4.29Å; E43-D127 WeakPolarHBondContact CB-OD2 3.18Å; E43-D127 PolarHBondContact N-OD2 3.25Å; E43-D127 PolarHBondContact O-N 3.35Å; E43-V128 PolarHBondContact O-N 3.29Å; E43-N234 PolarHBondContact OE1-ND2 3.48Å; E43-P236 HydrophobicContact CG-CB 4.23Å
44L97.8Very high92.1Very high0 Ų037.5 Ų37.50%018%0.184CC..EExtended strand (participates in β ladder)trans-95.6127.5-179173.563.5000111.5L42 I46 A71 V85 A86 L87 V88 V128 V130 I178L42-L44 PolarHBondContact O-N 3.45Å; L44-I46 HydrophobicContact CD1-CG1 4.46Å; L44-I46 HydrophobicContact CD2-CD1 4.24Å; L44-I46 HydrophobicContact CD2-CG1 4.22Å; L44-I46 HydrophobicContact CG-CG1 4.16Å; L44-A71 HydrophobicContact CD2-CB 4.48Å; L44-V85 HydrophobicContact CB-CG1 3.77Å; L44-V85 HydrophobicContact CD2-CG1 3.86Å; L44-V85 HydrophobicContact CG-CG1 4.45Å; L44-A86 WeakPolarHBondContact CB-O 3.47Å; L44-A86 PolarHBondContact N-O 3.42Å; L44-L87 WeakPolarHBondContact O-CA 3.44Å; L44-V88 WeakPolarHBondContact O-CG2 3.27Å; L44-V88 PolarHBondContact O-N 2.91Å; L44-V128 WeakPolarHBondContact CA-O 3.36Å; L44-V128 HydrophobicContact CB-CG1 4.49Å; L44-V128 HydrophobicContact CD1-CG1 3.94Å; L44-V130 HydrophobicContact CD1-CB 4.32Å; L44-V130 HydrophobicContact CD1-CG2 3.68Å; L44-I178 HydrophobicContact CD1-CD1 4.27Å
45A97.6Very high92.5Very high1 Ų139 Ų391%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-106.4133.7164.900000111.4G89 L120 I124 N126 V128 A129 V130A45-G89 WeakPolarHBondContact CA-O 3.25Å; A45-L120 HydrophobicContact CB-CD2 4.17Å; A45-I124 HydrophobicContact CB-CG2 4.12Å; A45-N126 HydrophobicContact CB-CB 3.83Å; A45-V128 PolarHBondContact N-O 3.45Å; A45-A129 HydrophobicContact CB-CB 4.09Å; A45-A129 CarbonylContact O-C 3.43Å; A45-A129 WeakPolarHBondContact O-CA 3.4Å; A45-V130 PolarHBondContact O-N 2.89Å
46I98.3Very high92.9Very high1 Ų139.1 Ų39.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-108.5129.9176.3-64.9177.6000109.7L44 F48 A67 V70 L87 G89 I90 E91 I132L44-I46 HydrophobicContact CD1-CG1 4.46Å; L44-I46 HydrophobicContact CD2-CD1 4.24Å; L44-I46 HydrophobicContact CD2-CG1 4.22Å; L44-I46 HydrophobicContact CG-CG1 4.16Å; I46-F48 HydrophobicContact CG2-CD2 4.39Å; I46-F48 HydrophobicContact CG2-CE1 4.31Å; I46-F48 HydrophobicContact CG2-CE2 3.92Å; I46-F48 HydrophobicContact CG2-CZ 3.87Å; I46-A67 HydrophobicContact CB-CB 4.43Å; I46-A67 HydrophobicContact CD1-CB 4.06Å; I46-A67 HydrophobicContact CG2-CB 4.3Å; I46-V70 HydrophobicContact CD1-CB 4.49Å; I46-V70 HydrophobicContact CD1-CG1 4.1Å; I46-L87 HydrophobicContact CB-CD1 4.27Å; I46-L87 HydrophobicContact CD1-CD1 3.86Å; I46-L87 HydrophobicContact CG1-CD1 3.86Å; I46-G89 PolarHBondContact N-O 2.81Å; I46-I90 CarbonylContact O-C 3.58Å; I46-I90 VanDerWaalsContact O-CA 3.3Å; I46-I90 WeakPolarHBondContact O-CA 3.36Å; I46-E91 PolarHBondContact O-N 3.05Å; I46-I132 HydrophobicContact CG2-CD1 3.75Å; I46-I132 HydrophobicContact CG2-CG1 4.24Å
47V97.8Very high93.7Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-116.8126.4176.4-1750000109.4E91 L93 F112 L120 V130 L131 I132V47-E91 CarbonylContact C-O 3.35Å; V47-E91 VanDerWaalsContact CA-O 3.29Å; V47-E91 WeakPolarHBondContact CA-O 3.5Å; V47-E91 HydrophobicContact CG1-CB 4.4Å; V47-E91 HydrophobicContact CG2-CB 4.26Å; V47-L93 HydrophobicContact CG1-CD1 4.17Å; V47-L93 HydrophobicContact CG1-CG 4.15Å; V47-F112 HydrophobicContact CB-CE2 3.95Å; V47-F112 HydrophobicContact CB-CZ 4.37Å; V47-F112 HydrophobicContact CG1-CE2 4.44Å; V47-F112 HydrophobicContact CG2-CE2 3.86Å; V47-F112 HydrophobicContact CG2-CZ 4.15Å; V47-L120 HydrophobicContact CG2-CD1 4.22Å; V47-L120 HydrophobicContact CG2-CD2 3.86Å; V47-V130 PolarHBondContact N-O 3.17Å; V47-L131 HydrophobicContact CB-CD1 4.25Å; V47-L131 HydrophobicContact CG1-CD1 4.09Å; V47-L131 CarbonylContact O-C 3.48Å; V47-L131 WeakPolarHBondContact O-CA 3.34Å; V47-L131 WeakPolarHBondContact O-CD1 3.44Å; V47-I132 PolarHBondContact O-N 3.32Å
48F97.3Very high94.6Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-101.7128.5169.4-64.4-71.4000109.7I46 M52 L63 A67 I90 E91 I92 L93 I132I46-F48 HydrophobicContact CG2-CD2 4.39Å; I46-F48 HydrophobicContact CG2-CE1 4.31Å; I46-F48 HydrophobicContact CG2-CE2 3.92Å; I46-F48 HydrophobicContact CG2-CZ 3.87Å; F48-M52 HydrophobicContact CB-CB 4Å; F48-M52 HydrophobicContact CD1-CB 4.01Å; F48-M52 HydrophobicContact CD1-CE 3.85Å; F48-M52 HydrophobicContact CD1-CG 4.12Å; F48-M52 HydrophobicContact CE1-CE 3.9Å; F48-M52 HydrophobicContact CG-CB 4.42Å; F48-L63 HydrophobicContact CB-CD1 4.09Å; F48-L63 HydrophobicContact CD1-CD2 4.05Å; F48-L63 HydrophobicContact CD2-CB 3.96Å; F48-L63 HydrophobicContact CD2-CD1 4.23Å; F48-L63 HydrophobicContact CD2-CD2 4.3Å; F48-L63 HydrophobicContact CD2-CG 4.41Å; F48-L63 HydrophobicContact CE1-CD2 4.15Å; F48-L63 HydrophobicContact CE2-CB 3.94Å; F48-L63 HydrophobicContact CE2-CD2 4.36Å; F48-L63 VanDerWaalsContact CE2-O 3.25Å; F48-L63 WeakPolarHBondContact CE2-O 3.41Å; F48-L63 HydrophobicContact CG-CD1 4.15Å; F48-L63 HydrophobicContact CG-CD2 4.12Å; F48-L63 HydrophobicContact CZ-CD2 4.3Å; F48-A67 HydrophobicContact CE2-CB 3.88Å; F48-A67 HydrophobicContact CZ-CB 4.08Å; F48-I90 HydrophobicContact CD2-CG2 4.23Å; F48-I90 HydrophobicContact CE2-CG2 4.17Å; F48-E91 PolarHBondContact N-O 3.08Å; F48-I92 HydrophobicContact CB-CG1 4.48Å; F48-I92 HydrophobicContact CD2-CG1 4.04Å; F48-L93 WeakPolarHBondContact O-CB 3.26Å; F48-L93 PolarHBondContact O-N 2.92Å; F48-I132 HydrophobicContact CD1-CB 3.77Å; F48-I132 HydrophobicContact CD1-CG2 4.19Å; F48-I132 HydrophobicContact CE1-CB 3.73Å; F48-I132 HydrophobicContact CE1-CD1 3.73Å; F48-I132 HydrophobicContact CE1-CG1 4.24Å; F48-I132 HydrophobicContact CE1-CG2 3.97Å; F48-I132 HydrophobicContact CZ-CD1 4.18Å
49D95.9Very high95.3Very high9 Ų935.2 Ų35.25%0.04817%0.174CC..  trans-76.1176.1173.577.2-17000112.4S51 M52 Y53 V101 L131 I132 T133D49-S51 PolarHBondContact O-N 3.13Å; D49-S51 PolarHBondContact OD1-N 2.99Å; D49-S51 PolarHBondContact OD1-OG 2.95Å; D49-S51 PolarHBondContact OD2-OG 3.46Å; D49-M52 PolarHBondContact O-N 3.29Å; D49-M52 WeakPolarHBondContact OD1-CG 3.47Å; D49-M52 PolarHBondContact OD1-N 3.32Å; D49-Y53 PolarHBondContact O-N 3.11Å; D49-Y53 VanDerWaalsContact O-N 3.16Å; D49-V101 HydrophobicContact CB-CG2 3.82Å; D49-V101 VanDerWaalsContact OD2-CG2 3.29Å; D49-V101 WeakPolarHBondContact OD2-CG2 3.47Å; D49-L131 HydrophobicContact CB-CD1 4.08Å; D49-I132 PolarHBondContact N-O 3.25Å; D49-T133 VanDerWaalsContact CG-OG1 3.27Å; D49-T133 PolarHBondContact OD1-OG1 2.76Å; D49-T133 WeakPolarHBondContact OD2-CB 3.35Å; D49-T133 PolarHBondContact OD2-OG1 3.49Å
50L95Very high95.7Very high39 Ų3936.2 Ų36.220%0.20418%0.181CC..Hα-helixtrans-59.1-35.6178.4-179.160.5000111.9M52 Y53 E54 L93 Q96L50-M52 VanDerWaalsContact C-N 3.33Å; L50-M52 PolarHBondContact O-N 2.73Å; L50-Y53 HydrophobicContact CD1-CD1 4.23Å; L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 3.33Å; L50-E54 HydrophobicContact CD1-CG 4.32Å; L50-E54 HydrophobicContact CG-CG 4.48Å; L50-E54 WeakPolarHBondContact O-CG 3.25Å; L50-E54 PolarHBondContact O-N 3.46Å; L50-L93 VanDerWaalsContact CA-O 3.27Å; L50-L93 WeakPolarHBondContact CA-O 3.46Å; L50-L93 PolarHBondContact N-O 3.36Å; L50-Q96 HydrophobicContact CD2-CG 3.83Å
51S94.8Very high95.8Very high22 Ų2241.5 Ų41.515%0.15421%0.206CC..Hα-helixtrans-63.3-39.8-179.183.20000111.7D49 E54 K55 T133 S134D49-S51 PolarHBondContact O-N 3.13Å; D49-S51 PolarHBondContact OD1-N 2.99Å; D49-S51 PolarHBondContact OD1-OG 2.95Å; D49-S51 PolarHBondContact OD2-OG 3.46Å; S51-E54 PolarHBondContact O-N 3.3Å; S51-K55 WeakPolarHBondContact O-CB 3.47Å; S51-K55 PolarHBondContact O-N 2.61Å; S51-T133 PolarHBondContact OG-OG1 2.78Å; S51-S134 WeakPolarHBondContact CB-OG 3.49Å; S51-S134 PolarHBondContact O-OG 3.47Å; S51-S134 PolarHBondContact OG-N 2.97Å; S51-S134 PolarHBondContact OG-OG 2.66Å
52M95.5Very high95.8Very high0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-67.8-40.8174-76.3-64.5-69.300112.4F48 D49 L50 E54 K55 Y56 L63 I132 D162F48-M52 HydrophobicContact CB-CB 4Å; F48-M52 HydrophobicContact CD1-CB 4.01Å; F48-M52 HydrophobicContact CD1-CE 3.85Å; F48-M52 HydrophobicContact CD1-CG 4.12Å; F48-M52 HydrophobicContact CE1-CE 3.9Å; F48-M52 HydrophobicContact CG-CB 4.42Å; D49-M52 PolarHBondContact O-N 3.29Å; D49-M52 WeakPolarHBondContact OD1-CG 3.47Å; D49-M52 PolarHBondContact OD1-N 3.32Å; L50-M52 VanDerWaalsContact C-N 3.33Å; L50-M52 PolarHBondContact O-N 2.73Å; M52-E54 VanDerWaalsContact C-N 3.26Å; M52-E54 PolarHBondContact O-N 3.21Å; M52-K55 PolarHBondContact O-N 2.87Å; M52-K55 HydrophobicContact SD-CD 4.2Å; M52-Y56 HydrophobicContact CE-CD2 3.91Å; M52-Y56 HydrophobicContact CE-CE2 3.49Å; M52-Y56 VanDerWaalsContact CE-CE2 3.49Å; M52-Y56 PolarHBondContact O-N 2.57Å; M52-Y56 VanDerWaalsContact O-N 3.1Å; M52-Y56 HydrophobicContact SD-CE2 4.26Å; M52-L63 HydrophobicContact CE-CD2 4.27Å; M52-I132 HydrophobicContact CE-CG2 3.8Å; M52-I132 HydrophobicContact CG-CG2 4.48Å; M52-I132 VanDerWaalsContact CG-O 3.27Å; M52-I132 WeakPolarHBondContact CG-O 3.21Å; M52-I132 HydrophobicContact SD-CG2 4.3Å; M52-D162 HydrophobicContact CE-CB 3.82Å; M52-D162 WeakPolarHBondContact CE-OD2 3.34Å; M52-D162 HydrophobicContact SD-CB 3.46Å; M52-D162 WeakPolarHBondContact SD-CB 3.06Å
53Y95Very high95.7Very high35 Ų3543.4 Ų43.414%0.13722%0.218CC..Hα-helixtrans-58.6-40.6174.7-173.9-125.3000111.6D49 L50 R58 K60 L63 I92 S94D49-Y53 PolarHBondContact O-N 3.11Å; D49-Y53 VanDerWaalsContact O-N 3.16Å; L50-Y53 HydrophobicContact CD1-CD1 4.23Å; L50-Y53 WeakPolarHBondContact O-CB 3.46Å; L50-Y53 PolarHBondContact O-N 3.33Å; Y53-R58 HydrophobicContact CD1-CB 4.32Å; Y53-R58 HydrophobicContact CD1-CG 4.04Å; Y53-R58 HydrophobicContact CD2-CB 4.5Å; Y53-R58 HydrophobicContact CE1-CB 3.78Å; Y53-R58 HydrophobicContact CE1-CG 3.83Å; Y53-R58 HydrophobicContact CE2-CB 3.96Å; Y53-R58 WeakPolarHBondContact CE2-O 3.46Å; Y53-R58 WeakPolarHBondContact O-CA 3.46Å; Y53-R58 PolarHBondContact O-N 2.87Å; Y53-R58 PolarHBondContact OH-O 2.84Å; Y53-K60 HydrophobicContact CE2-CG 3.78Å; Y53-L63 HydrophobicContact CD2-CD1 4.12Å; Y53-I92 HydrophobicContact CD2-CG2 3.73Å; Y53-I92 HydrophobicContact CE2-CG2 4.43Å; Y53-I92 HydrophobicContact CG-CG2 4.11Å; Y53-S94 VanDerWaalsContact CE1-CB 3.45Å
54E94.6Very high95.7Very high95 Ų9544.3 Ų44.344%0.44422%0.224SC..Hα-helixtrans-72.1-43.5176.3-68-177.7149.700112.9L50 S51 M52 Y56 G57 R58L50-E54 HydrophobicContact CD1-CG 4.32Å; L50-E54 HydrophobicContact CG-CG 4.48Å; L50-E54 WeakPolarHBondContact O-CG 3.25Å; L50-E54 PolarHBondContact O-N 3.46Å; S51-E54 PolarHBondContact O-N 3.3Å; M52-E54 VanDerWaalsContact C-N 3.26Å; M52-E54 PolarHBondContact O-N 3.21Å; E54-Y56 VanDerWaalsContact C-N 3.25Å; E54-Y56 PolarHBondContact O-N 3.39Å; E54-G57 PolarHBondContact O-N 3.5Å; E54-G57 VanDerWaalsContact O-N 3.14Å; E54-R58 IonicContact OE1-CZ 3.91Å; E54-R58 IonicContact OE1-NH2 2.61Å; E54-R58 PolarHBondContact OE1-NH2 2.66Å
55K94.6Very high95.5Very high87 Ų8747 Ų4738%0.37824%0.239SC..Hα-helixtrans-55.5-39.5178-179.2179.4179.4-1750112.4S51 M52 G57 D162S51-K55 WeakPolarHBondContact O-CB 3.47Å; S51-K55 PolarHBondContact O-N 2.61Å; M52-K55 PolarHBondContact O-N 2.87Å; M52-K55 HydrophobicContact SD-CD 4.2Å; K55-G57 VanDerWaalsContact C-N 3.32Å; K55-G57 PolarHBondContact O-N 3.4Å; K55-D162 WeakPolarHBondContact CE-OD2 3.39Å; K55-D162 PolarHBondContact NZ-O 3.33Å; K55-D162 IonicContact NZ-OD2 2.91Å; K55-D162 PolarHBondContact NZ-OD2 3.29Å
56Y94.4Very high95.3Very high44 Ų4447.7 Ų47.717%0.17324%0.241CC..THydrogen-bonded Turntrans-96.333.2-179-74.3-88.4000113.2M52 E54 R58 N59 T62 L63 R66 D162M52-Y56 HydrophobicContact CE-CD2 3.91Å; M52-Y56 HydrophobicContact CE-CE2 3.49Å; M52-Y56 VanDerWaalsContact CE-CE2 3.49Å; M52-Y56 PolarHBondContact O-N 2.57Å; M52-Y56 VanDerWaalsContact O-N 3.1Å; M52-Y56 HydrophobicContact SD-CE2 4.26Å; E54-Y56 VanDerWaalsContact C-N 3.25Å; E54-Y56 PolarHBondContact O-N 3.39Å; Y56-R58 PolarHBondContact O-N 3.26Å; Y56-N59 PolarHBondContact O-N 3.2Å; Y56-T62 HydrophobicContact CD1-CG2 3.85Å; Y56-L63 HydrophobicContact CD2-CD2 3.8Å; Y56-L63 HydrophobicContact CG-CD2 3.99Å; Y56-R66 PolarHBondContact OH-NE 2.86Å; Y56-R66 PolarHBondContact OH-NH1 3.16Å; Y56-R66 PolarHBondContact OH-NH2 3.26Å; Y56-D162 WeakPolarHBondContact CE2-OD2 3.47Å; Y56-D162 PolarHBondContact OH-OD2 2.77Å
57G94.7Very high95.2Very high65 Ų6547.7 Ų47.767%0.6724%0.241SC*.THydrogen-bonded Turntrans65.925.3170.200000114.2E54 K55 N59E54-G57 PolarHBondContact O-N 3.5Å; E54-G57 VanDerWaalsContact O-N 3.14Å; K55-G57 VanDerWaalsContact C-N 3.32Å; K55-G57 PolarHBondContact O-N 3.4Å; G57-N59 PolarHBondContact O-N 3.06Å
58R94.7Very high95Very high139 Ų13948.5 Ų48.553%0.52525%0.246SC..THydrogen-bonded Turntrans57.927.3-178.6-60.9179.2173.2-134.1-3.3113.3Y53 E54 Y56Y53-R58 HydrophobicContact CD1-CB 4.32Å; Y53-R58 HydrophobicContact CD1-CG 4.04Å; Y53-R58 HydrophobicContact CD2-CB 4.5Å; Y53-R58 HydrophobicContact CE1-CB 3.78Å; Y53-R58 HydrophobicContact CE1-CG 3.83Å; Y53-R58 HydrophobicContact CE2-CB 3.96Å; Y53-R58 WeakPolarHBondContact CE2-O 3.46Å; Y53-R58 WeakPolarHBondContact O-CA 3.46Å; Y53-R58 PolarHBondContact O-N 2.87Å; Y53-R58 PolarHBondContact OH-O 2.84Å; E54-R58 IonicContact OE1-CZ 3.91Å; E54-R58 IonicContact OE1-NH2 2.61Å; E54-R58 PolarHBondContact OE1-NH2 2.66Å; Y56-R58 PolarHBondContact O-N 3.26Å
59N95.2Very high94.8Very high66 Ų6651.4 Ų51.435%0.35326%0.26SS..  trans-96113.9176.6-168.8-14.1000111Y56 G57 E61 T62 L63Y56-N59 PolarHBondContact O-N 3.2Å; G57-N59 PolarHBondContact O-N 3.06Å; N59-E61 WeakPolarHBondContact OD1-CB 3.4Å; N59-E61 PolarHBondContact OD1-N 3.35Å; N59-T62 VanDerWaalsContact CG-OG1 3.32Å; N59-T62 PolarHBondContact ND2-OG1 2.89Å; N59-T62 VanDerWaalsContact ND2-OG1 3.15Å; N59-L63 PolarHBondContact O-N 3.37Å
60K95.1Very high94.8Very high103 Ų10351 Ų5145%0.44826%0.257SS..Hα-helixtrans-70.5-32.9178.1-66.7-173.9178.5-178.90112.5Y53 L63 N64 I92Y53-K60 HydrophobicContact CE2-CG 3.78Å; K60-L63 PolarHBondContact O-N 3.1Å; K60-N64 VanDerWaalsContact O-CG 3.28Å; K60-N64 PolarHBondContact O-N 3.35Å; K60-N64 PolarHBondContact O-ND2 3.29Å; K60-I92 HydrophobicContact CB-CD1 3.87Å; K60-I92 HydrophobicContact CG-CD1 4.01Å
61E94.9Very high94.8Very high121 Ų12149.4 Ų49.457%0.56525%0.25SC*.Hα-helixtrans-64.4-46.3179.3-169.3172.8-166.600110.5N59 L63 N64 D65N59-E61 WeakPolarHBondContact OD1-CB 3.4Å; N59-E61 PolarHBondContact OD1-N 3.35Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 3.26Å; E61-N64 WeakPolarHBondContact O-CB 3.48Å; E61-N64 PolarHBondContact O-N 2.88Å; E61-N64 VanDerWaalsContact O-N 3.08Å; E61-D65 PolarHBondContact O-N 3.18Å
62T95.1Very high94.7Very high54 Ų5448.7 Ų48.733%0.33125%0.245SC..Hα-helixtrans-59.3-38.6176.1-53.40000113.1Y56 N59 R66Y56-T62 HydrophobicContact CD1-CG2 3.85Å; N59-T62 VanDerWaalsContact CG-OG1 3.32Å; N59-T62 PolarHBondContact ND2-OG1 2.89Å; N59-T62 VanDerWaalsContact ND2-OG1 3.15Å; T62-R66 WeakPolarHBondContact O-CB 3.42Å; T62-R66 PolarHBondContact O-N 3.04Å
63L95.4Very high94.6Very high0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-72-36.6175.8-74.4-178.7000112.4F48 M52 Y53 Y56 N59 K60 E61 R66 A67 I92F48-L63 HydrophobicContact CB-CD1 4.09Å; F48-L63 HydrophobicContact CD1-CD2 4.05Å; F48-L63 HydrophobicContact CD2-CB 3.96Å; F48-L63 HydrophobicContact CD2-CD1 4.23Å; F48-L63 HydrophobicContact CD2-CD2 4.3Å; F48-L63 HydrophobicContact CD2-CG 4.41Å; F48-L63 HydrophobicContact CE1-CD2 4.15Å; F48-L63 HydrophobicContact CE2-CB 3.94Å; F48-L63 HydrophobicContact CE2-CD2 4.36Å; F48-L63 VanDerWaalsContact CE2-O 3.25Å; F48-L63 WeakPolarHBondContact CE2-O 3.41Å; F48-L63 HydrophobicContact CG-CD1 4.15Å; F48-L63 HydrophobicContact CG-CD2 4.12Å; F48-L63 HydrophobicContact CZ-CD2 4.3Å; M52-L63 HydrophobicContact CE-CD2 4.27Å; Y53-L63 HydrophobicContact CD2-CD1 4.12Å; Y56-L63 HydrophobicContact CD2-CD2 3.8Å; Y56-L63 HydrophobicContact CG-CD2 3.99Å; N59-L63 PolarHBondContact O-N 3.37Å; K60-L63 PolarHBondContact O-N 3.1Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 3.26Å; L63-R66 PolarHBondContact O-N 3.08Å; L63-A67 PolarHBondContact O-N 3.36Å; L63-I92 HydrophobicContact CB-CD1 3.8Å; L63-I92 HydrophobicContact CB-CG1 4.39Å; L63-I92 HydrophobicContact CD1-CD1 4.13Å; L63-I92 HydrophobicContact CD1-CG1 4.2Å; L63-I92 HydrophobicContact CD1-CG2 3.77Å
64N95.4Very high94.7Very high50 Ų5047.2 Ų47.227%0.26724%0.239SC..Hα-helixtrans-62.8-47.2174-74.3-19.4000111.2K60 E61 R66 A67 T68 I90K60-N64 VanDerWaalsContact O-CG 3.28Å; K60-N64 PolarHBondContact O-N 3.35Å; K60-N64 PolarHBondContact O-ND2 3.29Å; E61-N64 WeakPolarHBondContact O-CB 3.48Å; E61-N64 PolarHBondContact O-N 2.88Å; E61-N64 VanDerWaalsContact O-N 3.08Å; N64-R66 VanDerWaalsContact C-N 3.28Å; N64-R66 PolarHBondContact O-N 3.34Å; N64-A67 WeakPolarHBondContact O-CB 3.34Å; N64-A67 PolarHBondContact O-N 3.23Å; N64-A67 VanDerWaalsContact O-N 3.14Å; N64-T68 PolarHBondContact O-N 2.72Å; N64-T68 PolarHBondContact O-OG1 3.42Å; N64-I90 HydrophobicContact CB-CD1 4.26Å
65D93.4Very high94.7Very high56 Ų5642.8 Ų42.830%0.29922%0.218SC..Hα-helixtrans-60.3-40176.1-67.2-17.2000111.4E61 T68 Q69E61-D65 PolarHBondContact O-N 3.18Å; D65-T68 PolarHBondContact O-N 2.94Å; D65-Q69 VanDerWaalsContact O-CG 3.32Å; D65-Q69 WeakPolarHBondContact O-CG 3.25Å; D65-Q69 PolarHBondContact O-N 3.46Å; D65-Q69 PolarHBondContact O-NE2 3.01Å
66R94.2Very high94.6Very high16 Ų1638.9 Ų38.96%0.0620%0.202CC..Hα-helixtrans-63.8-43.6175.5-173.3173.3-172.473.7-3.1111.3Y56 T62 L63 N64 Q69 V70 D162 S164Y56-R66 PolarHBondContact OH-NE 2.86Å; Y56-R66 PolarHBondContact OH-NH1 3.16Å; Y56-R66 PolarHBondContact OH-NH2 3.26Å; T62-R66 WeakPolarHBondContact O-CB 3.42Å; T62-R66 PolarHBondContact O-N 3.04Å; L63-R66 PolarHBondContact O-N 3.08Å; N64-R66 VanDerWaalsContact C-N 3.28Å; N64-R66 PolarHBondContact O-N 3.34Å; R66-Q69 PolarHBondContact O-N 2.77Å; R66-V70 HydrophobicContact CG-CG2 4.46Å; R66-V70 WeakPolarHBondContact O-CB 3.48Å; R66-V70 VanDerWaalsContact O-CG2 3.25Å; R66-V70 WeakPolarHBondContact O-CG2 3.49Å; R66-V70 PolarHBondContact O-N 2.92Å; R66-D162 IonicContact CZ-OD1 3.61Å; R66-D162 IonicContact NE-OD1 2.57Å; R66-D162 PolarHBondContact NE-OD1 3.25Å; R66-D162 IonicContact NH2-OD1 3.51Å; R66-D162 PolarHBondContact NH2-OD1 3.15Å; R66-D162 IonicContact NH2-OD2 3.89Å; R66-S164 PolarHBondContact NH2-O 3.42Å; R66-S164 VanDerWaalsContact NH2-O 3.16Å
67A96Very high94.5Very high0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-62.3-44.2177.100000112I46 F48 L63 N64 V70 A71 L87 I90I46-A67 HydrophobicContact CB-CB 4.43Å; I46-A67 HydrophobicContact CD1-CB 4.06Å; I46-A67 HydrophobicContact CG2-CB 4.3Å; F48-A67 HydrophobicContact CE2-CB 3.88Å; F48-A67 HydrophobicContact CZ-CB 4.08Å; L63-A67 PolarHBondContact O-N 3.36Å; N64-A67 WeakPolarHBondContact O-CB 3.34Å; N64-A67 PolarHBondContact O-N 3.23Å; N64-A67 VanDerWaalsContact O-N 3.14Å; A67-V70 PolarHBondContact O-N 3.27Å; A67-A71 WeakPolarHBondContact O-CB 3.43Å; A67-A71 PolarHBondContact O-N 2.87Å; A67-L87 HydrophobicContact CB-CD2 4.21Å; A67-I90 HydrophobicContact CB-CD1 3.67Å; A67-I90 HydrophobicContact CB-CG1 3.91Å; A67-I90 HydrophobicContact CB-CG2 4.28Å
68T94Very high94.6Very high18 Ų1833.8 Ų33.811%0.1116%0.162CC..Hα-helixtrans-60.9-49.1176.9-64.70000111.1N64 D65 V70 A71 T72 N241 L244N64-T68 PolarHBondContact O-N 2.72Å; N64-T68 PolarHBondContact O-OG1 3.42Å; D65-T68 PolarHBondContact O-N 2.94Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.34Å; T68-A71 PolarHBondContact O-N 3.07Å; T68-T72 PolarHBondContact O-N 2.89Å; T68-T72 PolarHBondContact O-OG1 3.47Å; T68-T72 VanDerWaalsContact O-OG1 3.07Å; T68-N241 PolarHBondContact OG1-ND2 3.3Å; T68-L244 HydrophobicContact CG2-CD2 3.46Å; T68-L244 VanDerWaalsContact CG2-CD2 3.46Å
69Q93.2Very high94.4Very high61 Ų6128.6 Ų28.629%0.28514%0.144SC..Hα-helixtrans-60.5-43.2177.3-71.5170.763.800112.4D65 R66 L73 V167 L733D65-Q69 VanDerWaalsContact O-CG 3.32Å; D65-Q69 WeakPolarHBondContact O-CG 3.25Å; D65-Q69 PolarHBondContact O-N 3.46Å; D65-Q69 PolarHBondContact O-NE2 3.01Å; R66-Q69 PolarHBondContact O-N 2.77Å; Q69-L73 VanDerWaalsContact O-CG 3.32Å; Q69-L73 WeakPolarHBondContact O-CG 3.44Å; Q69-L73 PolarHBondContact O-N 3.29Å; Q69-L73 VanDerWaalsContact O-N 3.1Å; Q69-V167 HydrophobicContact CB-CG1 3.95Å; Q69-L733 HydrophobicContact CG-CD1 4.22Å
70V94.7Very high94.2Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-59.8-49.3175.7164.50000110.5I46 R66 A67 T68 T72 L73 V74 V167 I170 I174I46-V70 HydrophobicContact CD1-CB 4.49Å; I46-V70 HydrophobicContact CD1-CG1 4.1Å; R66-V70 HydrophobicContact CG-CG2 4.46Å; R66-V70 WeakPolarHBondContact O-CB 3.48Å; R66-V70 VanDerWaalsContact O-CG2 3.25Å; R66-V70 WeakPolarHBondContact O-CG2 3.49Å; R66-V70 PolarHBondContact O-N 2.92Å; A67-V70 PolarHBondContact O-N 3.27Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.34Å; V70-T72 PolarHBondContact O-N 3.35Å; V70-L73 PolarHBondContact O-N 2.91Å; V70-V74 HydrophobicContact CG1-CG2 4.19Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.37Å; V70-V74 PolarHBondContact O-N 3.14Å; V70-V167 HydrophobicContact CB-CG1 4.44Å; V70-V167 HydrophobicContact CG2-CG1 3.54Å; V70-I170 HydrophobicContact CG2-CG2 4.4Å; V70-I174 HydrophobicContact CG1-CD1 3.35Å
71A95.5Very high94.1Very high5 Ų522.6 Ų22.64%0.04112%0.119CC..Hα-helixtrans-63.7-42.6-177.500000112.3L44 A67 T68 L73 V74 N75 L87L44-A71 HydrophobicContact CD2-CB 4.48Å; A67-A71 WeakPolarHBondContact O-CB 3.43Å; A67-A71 PolarHBondContact O-N 2.87Å; T68-A71 PolarHBondContact O-N 3.07Å; A71-L73 VanDerWaalsContact C-N 3.32Å; A71-L73 PolarHBondContact O-N 2.91Å; A71-V74 PolarHBondContact O-N 3.14Å; A71-N75 WeakPolarHBondContact O-CB 3.36Å; A71-N75 PolarHBondContact O-N 2.92Å; A71-L87 HydrophobicContact CB-CB 3.73Å; A71-L87 HydrophobicContact CB-CD1 4.28Å; A71-L87 HydrophobicContact CB-CD2 4.04Å; A71-L87 HydrophobicContact CB-CG 4.24Å
72T93.5Very high93.9Very high8 Ų818.6 Ų18.65%0.04910%0.101CC..Hα-helixtrans-59.9-41.9174.9-57.30000111.8T68 V70 N75 S76 L260T68-T72 PolarHBondContact O-N 2.89Å; T68-T72 PolarHBondContact O-OG1 3.47Å; T68-T72 VanDerWaalsContact O-OG1 3.07Å; V70-T72 PolarHBondContact O-N 3.35Å; T72-N75 PolarHBondContact O-N 3.04Å; T72-S76 PolarHBondContact O-N 3.45Å; T72-L260 HydrophobicContact CG2-CD1 4.24Å; T72-L260 HydrophobicContact CG2-CD2 3.78Å; T72-L260 HydrophobicContact CG2-CG 4.04Å
73L93.4Very high93.9Very high4 Ų416 Ų162%0.0219%0.085CC..Hα-helixtrans-69.2-41.8176.9-71.4171.2000112Q69 V70 A71 N75 S76 I77 V167 Y168 A171 L260Q69-L73 VanDerWaalsContact O-CG 3.32Å; Q69-L73 WeakPolarHBondContact O-CG 3.44Å; Q69-L73 PolarHBondContact O-N 3.29Å; Q69-L73 VanDerWaalsContact O-N 3.1Å; V70-L73 PolarHBondContact O-N 2.91Å; A71-L73 VanDerWaalsContact C-N 3.32Å; A71-L73 PolarHBondContact O-N 2.91Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 2.92Å; L73-S76 PolarHBondContact O-N 2.96Å; L73-S76 PolarHBondContact O-OG 3.42Å; L73-I77 WeakPolarHBondContact O-CG1 3.41Å; L73-I77 PolarHBondContact O-N 3.4Å; L73-I77 VanDerWaalsContact O-N 3.15Å; L73-V167 HydrophobicContact CD1-CB 4.21Å; L73-V167 HydrophobicContact CD1-CG1 3.88Å; L73-Y168 HydrophobicContact CD1-CD2 4.32Å; L73-Y168 HydrophobicContact CD2-CD2 3.96Å; L73-Y168 HydrophobicContact CD2-CE2 4.34Å; L73-A171 HydrophobicContact CB-CB 3.53Å; L73-A171 HydrophobicContact CD1-CB 4.23Å; L73-L260 HydrophobicContact CD2-CD1 3.91Å
74V95.9Very high93.9Very high0 Ų016.9 Ų16.90%09%0.09CC..Hα-helixtrans-60.1-44.7174.3172.10000110.2V70 A71 S76 I77 F78 V85 A171 I174 I178V70-V74 HydrophobicContact CG1-CG2 4.19Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.37Å; V70-V74 PolarHBondContact O-N 3.14Å; A71-V74 PolarHBondContact O-N 3.14Å; V74-S76 VanDerWaalsContact C-N 3.31Å; V74-S76 PolarHBondContact O-N 3.33Å; V74-I77 WeakPolarHBondContact O-CB 3.34Å; V74-I77 PolarHBondContact O-N 3.46Å; V74-I77 VanDerWaalsContact O-N 3.08Å; V74-F78 HydrophobicContact CG1-CD2 3.86Å; V74-F78 HydrophobicContact CG1-CE2 3.96Å; V74-F78 WeakPolarHBondContact O-CD2 3.48Å; V74-F78 PolarHBondContact O-N 3.23Å; V74-F78 VanDerWaalsContact O-N 3.16Å; V74-V85 HydrophobicContact CG1-CB 4.4Å; V74-V85 HydrophobicContact CG1-CG1 4.08Å; V74-V85 HydrophobicContact CG1-CG2 4.22Å; V74-A171 HydrophobicContact CG2-CB 4.03Å; V74-I174 HydrophobicContact CG2-CB 4.04Å; V74-I174 HydrophobicContact CG2-CG2 3.78Å; V74-I178 HydrophobicContact CG1-CD1 4.18Å
75N94.6Very high93.9Very high2 Ų214.7 Ų14.71%0.0118%0.078CC..Hα-helixtrans-55.9-46.6174.6-175.140.7000111.5A71 T72 L73 I77 F78 Q79 H84 V85 N247A71-N75 WeakPolarHBondContact O-CB 3.36Å; A71-N75 PolarHBondContact O-N 2.92Å; T72-N75 PolarHBondContact O-N 3.04Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 2.92Å; N75-I77 PolarHBondContact O-N 3.2Å; N75-F78 CarbonylContact O-C 3.58Å; N75-F78 PolarHBondContact O-N 2.87Å; N75-F78 VanDerWaalsContact O-N 3.07Å; N75-Q79 WeakPolarHBondContact O-CB 3.38Å; N75-Q79 PolarHBondContact O-N 3.06Å; N75-H84 VanDerWaalsContact OD1-CA 3.32Å; N75-H84 WeakPolarHBondContact OD1-CA 3.38Å; N75-V85 HydrophobicContact CB-CB 4.12Å; N75-V85 PolarHBondContact OD1-N 3.1Å; N75-N247 PolarHBondContact ND2-O 2.79Å
76S92.9Very high94Very high5 Ų512.1 Ų12.14%0.0356%0.064CC..Hα-helixtrans-60.6-28.2178.480.60000114T72 L73 V74 P80T72-S76 PolarHBondContact O-N 3.45Å; L73-S76 PolarHBondContact O-N 2.96Å; L73-S76 PolarHBondContact O-OG 3.42Å; V74-S76 VanDerWaalsContact C-N 3.31Å; V74-S76 PolarHBondContact O-N 3.33Å; S76-P80 WeakPolarHBondContact O-CD 3.49Å
77I93.6Very high94.1Very high1 Ų111.7 Ų11.71%0.0056%0.063CC..Hα-helixtrans-76.4-34.6177-66.5166.1000111.4L73 V74 N75 A175 I199 I210 W212L73-I77 WeakPolarHBondContact O-CG1 3.41Å; L73-I77 PolarHBondContact O-N 3.4Å; L73-I77 VanDerWaalsContact O-N 3.15Å; V74-I77 WeakPolarHBondContact O-CB 3.34Å; V74-I77 PolarHBondContact O-N 3.46Å; V74-I77 VanDerWaalsContact O-N 3.08Å; N75-I77 PolarHBondContact O-N 3.2Å; I77-A175 HydrophobicContact CB-CB 4.27Å; I77-A175 HydrophobicContact CD1-CB 3.93Å; I77-A175 HydrophobicContact CG2-CB 3.73Å; I77-I199 HydrophobicContact CG2-CD1 3.4Å; I77-I199 HydrophobicContact CG2-CG1 4.49Å; I77-I210 HydrophobicContact CG1-CG2 4.07Å; I77-W212 HydrophobicContact CG2-CZ2 3.78Å; I77-W212 PolarHBondContact O-NE1 2.03Å
78F95.2Very high94.1Very high0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-88.4-18.7178.9-81.1-83.1000113.7V74 N75 L81 I83 V85 A175 I178 F182 W212V74-F78 HydrophobicContact CG1-CD2 3.86Å; V74-F78 HydrophobicContact CG1-CE2 3.96Å; V74-F78 WeakPolarHBondContact O-CD2 3.48Å; V74-F78 PolarHBondContact O-N 3.23Å; V74-F78 VanDerWaalsContact O-N 3.16Å; N75-F78 CarbonylContact O-C 3.58Å; N75-F78 PolarHBondContact O-N 2.87Å; N75-F78 VanDerWaalsContact O-N 3.07Å; F78-L81 HydrophobicContact CD1-CD1 3.95Å; F78-L81 HydrophobicContact CE1-CD1 4.4Å; F78-L81 WeakPolarHBondContact O-CA 3.29Å; F78-L81 VanDerWaalsContact O-CB 3.23Å; F78-L81 WeakPolarHBondContact O-CB 3.46Å; F78-L81 PolarHBondContact O-N 3.16Å; F78-I83 CarbonylContact C-O 3.47Å; F78-I83 HydrophobicContact CB-CB 4.16Å; F78-I83 HydrophobicContact CB-CG2 4.33Å; F78-I83 VanDerWaalsContact CB-O 3.31Å; F78-I83 WeakPolarHBondContact CB-O 3.21Å; F78-I83 HydrophobicContact CD1-CB 4.31Å; F78-I83 HydrophobicContact CD1-CD1 4.27Å; F78-I83 HydrophobicContact CD1-CG2 4.26Å; F78-I83 PolarHBondContact O-N 3.06Å; F78-V85 HydrophobicContact CB-CG2 3.88Å; F78-V85 HydrophobicContact CD2-CG2 3.83Å; F78-V85 HydrophobicContact CG-CG2 3.99Å; F78-A175 HydrophobicContact CE2-CB 3.86Å; F78-I178 HydrophobicContact CE1-CG2 4.23Å; F78-I178 HydrophobicContact CE2-CB 4.2Å; F78-I178 HydrophobicContact CE2-CG2 3.98Å; F78-I178 HydrophobicContact CZ-CB 3.9Å; F78-I178 HydrophobicContact CZ-CG2 3.49Å; F78-I178 VanDerWaalsContact CZ-CG2 3.49Å; F78-F182 HydrophobicContact CD1-CE2 4.34Å; F78-F182 AromaticContact CE1-CD2 3.87Å; F78-F182 HydrophobicContact CE1-CD2 3.87Å; F78-F182 AromaticContact CE1-CE2 3.68Å; F78-F182 HydrophobicContact CE1-CE2 3.68Å; F78-F182 HydrophobicContact CZ-CD2 4.34Å; F78-F182 HydrophobicContact CZ-CE2 4.22Å; F78-W212 HydrophobicContact CD1-CZ2 4Å; F78-W212 HydrophobicContact CD2-CZ2 4.42Å; F78-W212 AromaticContact CE1-CH2 3.86Å; F78-W212 HydrophobicContact CE1-CH2 3.86Å; F78-W212 AromaticContact CE1-CZ2 3.65Å; F78-W212 HydrophobicContact CE1-CZ2 3.65Å; F78-W212 HydrophobicContact CE2-CH2 4.37Å; F78-W212 HydrophobicContact CE2-CZ2 4.11Å; F78-W212 HydrophobicContact CG-CZ2 4.36Å; F78-W212 AromaticContact CZ-CH2 3.69Å; F78-W212 HydrophobicContact CZ-CH2 3.69Å; F78-W212 AromaticContact CZ-CZ2 3.69Å; F78-W212 HydrophobicContact CZ-CZ2 3.69Å
79Q91.4Very high94.2Very high30 Ų3012.4 Ų12.414%0.147%0.069CC..G310 helixtrans-52.9-42.7-179.8178.6175.8-21.600113.8N75 L81 N82 C258 V263N75-Q79 WeakPolarHBondContact O-CB 3.38Å; N75-Q79 PolarHBondContact O-N 3.06Å; Q79-L81 PolarHBondContact O-N 2.84Å; Q79-N82 PolarHBondContact O-N 3.2Å; Q79-C258 PolarHBondContact NE2-O 3.06Å; Q79-V263 HydrophobicContact CB-CG1 4.46Å; Q79-V263 HydrophobicContact CG-CG1 4.33Å
80P90.8Very high94.3Very high37 Ų3711 Ų1124%0.246%0.062CC..G310 helixtrans-62.7-13174.8-25.136.5000115V27 Y31 S76V27-P80 HydrophobicContact CG1-CB 4.48Å; V27-P80 HydrophobicContact CG2-CB 4.03Å; V27-P80 HydrophobicContact CG2-CG 4.43Å; Y31-P80 HydrophobicContact CD1-CB 4.28Å; Y31-P80 HydrophobicContact CE1-CB 3.86Å; S76-P80 WeakPolarHBondContact O-CD 3.49Å
81L92.6Very high94.4Very high7 Ų712.5 Ų12.54%0.0377%0.07CC..G310 helixtrans-97.24.1176.5-49-179.2000112.5Y31 V35 F78 Q79 I83 W212 L217 L220Y31-L81 HydrophobicContact CD1-CD2 4.08Å; Y31-L81 HydrophobicContact CE1-CD2 3.7Å; V35-L81 HydrophobicContact CG2-CD2 4.18Å; F78-L81 HydrophobicContact CD1-CD1 3.95Å; F78-L81 HydrophobicContact CE1-CD1 4.4Å; F78-L81 WeakPolarHBondContact O-CA 3.29Å; F78-L81 VanDerWaalsContact O-CB 3.23Å; F78-L81 WeakPolarHBondContact O-CB 3.46Å; F78-L81 PolarHBondContact O-N 3.16Å; Q79-L81 PolarHBondContact O-N 2.84Å; L81-I83 HydrophobicContact CB-CD1 4.19Å; L81-I83 HydrophobicContact CB-CG1 4.36Å; L81-I83 PolarHBondContact O-N 2.84Å; L81-W212 HydrophobicContact CD1-CD2 3.98Å; L81-W212 HydrophobicContact CD1-CG 4.02Å; L81-W212 HydrophobicContact CD1-CZ2 4.05Å; L81-W212 HydrophobicContact CD2-CG 4.16Å; L81-W212 HydrophobicContact CG-CG 4.46Å; L81-L217 HydrophobicContact CD2-CD2 3.27Å; L81-L220 HydrophobicContact CB-CD2 4.22Å; L81-L220 HydrophobicContact CD1-CD2 3.77Å; L81-L220 HydrophobicContact CD2-CD2 4.44Å; L81-L220 HydrophobicContact CG-CD2 4.38Å
82N91.2Very high94.4Very high36 Ų3613.5 Ų13.519%0.1937%0.074CC..THydrogen-bonded Turntrans59.429.3-173.5-153.510.5000113.5V35 S36 D37 R38 R39 L40 Q79V35-N82 HydrophobicContact CG1-CB 4.19Å; S36-N82 PolarHBondContact O-ND2 3.06Å; D37-N82 PolarHBondContact O-ND2 3.46Å; R38-N82 PolarHBondContact O-ND2 2.94Å; R39-N82 PolarHBondContact N-ND2 2.93Å; L40-N82 PolarHBondContact N-O 3.19Å; Q79-N82 PolarHBondContact O-N 3.2Å
83I95.2Very high94.4Very high0 Ų014 Ų140%08%0.076CC..EExtended strand (participates in β ladder)trans-111.1116.8174.9-61.9167.5000107.9L40 L42 F78 L81 V85 F182 L220L40-I83 HydrophobicContact CB-CG1 4.05Å; L40-I83 HydrophobicContact CD1-CG1 4.08Å; L40-I83 CarbonylContact O-C 3.43Å; L40-I83 WeakPolarHBondContact O-CA 3.3Å; L42-I83 HydrophobicContact CB-CG2 4.13Å; F78-I83 CarbonylContact C-O 3.47Å; F78-I83 HydrophobicContact CB-CB 4.16Å; F78-I83 HydrophobicContact CB-CG2 4.33Å; F78-I83 VanDerWaalsContact CB-O 3.31Å; F78-I83 WeakPolarHBondContact CB-O 3.21Å; F78-I83 HydrophobicContact CD1-CB 4.31Å; F78-I83 HydrophobicContact CD1-CD1 4.27Å; F78-I83 HydrophobicContact CD1-CG2 4.26Å; F78-I83 PolarHBondContact O-N 3.06Å; L81-I83 HydrophobicContact CB-CD1 4.19Å; L81-I83 HydrophobicContact CB-CG1 4.36Å; L81-I83 PolarHBondContact O-N 2.84Å; I83-V85 HydrophobicContact CG2-CG2 4.49Å; I83-F182 HydrophobicContact CD1-CE1 4.13Å; I83-F182 HydrophobicContact CD1-CE2 4.42Å; I83-F182 HydrophobicContact CD1-CZ 3.92Å; I83-F182 HydrophobicContact CG2-CZ 4.27Å; I83-L220 HydrophobicContact CD1-CD1 4.13Å; I83-L220 HydrophobicContact CD1-CD2 4.11Å
84H94.6Very high94.3Very high19 Ų1916 Ų169%0.0889%0.091CC..EExtended strand (participates in β ladder)trans-99114.3-178.9-63.8-88.2000110.2R39 L40 F41 L42 N75 F249R39-H84 WeakPolarHBondContact CG-CD2 3.47Å; R39-H84 WeakPolarHBondContact CG-NE2 3.17Å; R39-H84 PolarHBondContact NE-CD2 3.29Å; R39-H84 VanDerWaalsContact NE-CD2 3.27Å; R39-H84 PolarHBondContact NE-NE2 2.92Å; L40-H84 PolarHBondContact O-N 2.92Å; F41-H84 CarbonylContact C-O 3.41Å; F41-H84 WeakPolarHBondContact CA-O 3.29Å; F41-H84 HydrophobicContact CD1-CB 3.93Å; F41-H84 HydrophobicContact CE1-CB 4.33Å; L42-H84 PolarHBondContact N-O 3.19Å; N75-H84 VanDerWaalsContact OD1-CA 3.32Å; N75-H84 WeakPolarHBondContact OD1-CA 3.38Å; H84-F249 HydrophobicContact CB-CE1 4.21Å; H84-F249 HydrophobicContact CB-CE2 4.45Å; H84-F249 HydrophobicContact CB-CZ 3.74Å
85V96.3Very high93.8Very high4 Ų418.6 Ų18.62%0.02411%0.109CC..EExtended strand (participates in β ladder)trans-93.2112.5-176.2-173.30000109.9L42 L44 V74 N75 F78 I83L42-V85 HydrophobicContact CB-CG2 4.29Å; L42-V85 HydrophobicContact CD2-CG1 4.3Å; L42-V85 HydrophobicContact CD2-CG2 4.03Å; L42-V85 WeakPolarHBondContact O-CA 3.3Å; L44-V85 HydrophobicContact CB-CG1 3.77Å; L44-V85 HydrophobicContact CD2-CG1 3.86Å; L44-V85 HydrophobicContact CG-CG1 4.45Å; V74-V85 HydrophobicContact CG1-CB 4.4Å; V74-V85 HydrophobicContact CG1-CG1 4.08Å; V74-V85 HydrophobicContact CG1-CG2 4.22Å; N75-V85 HydrophobicContact CB-CB 4.12Å; N75-V85 PolarHBondContact OD1-N 3.1Å; F78-V85 HydrophobicContact CB-CG2 3.88Å; F78-V85 HydrophobicContact CD2-CG2 3.83Å; F78-V85 HydrophobicContact CG-CG2 3.99Å; I83-V85 HydrophobicContact CG2-CG2 4.49Å
86A95.1Very high93Very high1 Ų127 Ų271%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-100.5132.8177.600000111.5L42 L44 V88 P236 I239 F249L42-A86 PolarHBondContact O-N 2.93Å; L44-A86 WeakPolarHBondContact CB-O 3.47Å; L44-A86 PolarHBondContact N-O 3.42Å; A86-V88 HydrophobicContact CB-CG1 4.32Å; A86-V88 PolarHBondContact O-N 3.5Å; A86-P236 HydrophobicContact CB-CB 4.13Å; A86-P236 HydrophobicContact CB-CG 3.51Å; A86-I239 HydrophobicContact CB-CG1 4.35Å; A86-F249 HydrophobicContact CB-CE1 4.05Å; A86-F249 HydrophobicContact CB-CE2 3.91Å; A86-F249 HydrophobicContact CB-CZ 3.51Å
87L96.3Very high92Very high8 Ų834.1 Ų34.14%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-78.8103.3169.3-173.861000109.7L44 I46 A67 A71 I90 V240L44-L87 WeakPolarHBondContact O-CA 3.44Å; I46-L87 HydrophobicContact CB-CD1 4.27Å; I46-L87 HydrophobicContact CD1-CD1 3.86Å; I46-L87 HydrophobicContact CG1-CD1 3.86Å; A67-L87 HydrophobicContact CB-CD2 4.21Å; A71-L87 HydrophobicContact CB-CB 3.73Å; A71-L87 HydrophobicContact CB-CD1 4.28Å; A71-L87 HydrophobicContact CB-CD2 4.04Å; A71-L87 HydrophobicContact CB-CG 4.24Å; L87-I90 HydrophobicContact CD1-CG1 4.25Å; L87-I90 HydrophobicContact CD2-CD1 3.92Å; L87-I90 HydrophobicContact CD2-CG1 3.95Å; L87-I90 HydrophobicContact CG-CG1 4.27Å; L87-V240 HydrophobicContact CD2-CB 4.31Å; L87-V240 HydrophobicContact CG-CB 4.14Å; L87-V240 HydrophobicContact CG-CG2 4.49Å; L87-V240 WeakPolarHBondContact O-CG2 3.4Å; L87-V240 PolarHBondContact O-N 2.89Å
88V95.6Very high91.1Very high28 Ų2835.4 Ų35.417%0.1720%0.199CC..EExtended strand (participates in β ladder)trans-95.2-13.5-178.5-620000113.3E43 L44 A86 I124 P125 N126 P236 V240E43-V88 HydrophobicContact CB-CB 4.47Å; E43-V88 HydrophobicContact CB-CG1 3.73Å; E43-V88 HydrophobicContact CB-CG2 3.92Å; E43-V88 HydrophobicContact CG-CG1 3.86Å; L44-V88 WeakPolarHBondContact O-CG2 3.27Å; L44-V88 PolarHBondContact O-N 2.91Å; A86-V88 HydrophobicContact CB-CG1 4.32Å; A86-V88 PolarHBondContact O-N 3.5Å; V88-I124 HydrophobicContact CG2-CG2 4.43Å; V88-P125 WeakPolarHBondContact CG2-O 3.46Å; V88-N126 HydrophobicContact CG2-CB 3.92Å; V88-P236 HydrophobicContact CG1-CB 4.11Å; V88-V240 VanDerWaalsContact C-CG2 3.48Å
89G95.8Very high90.6Very high5 Ų537 Ų375%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-169.6150.6177.500000115.1A45 I46A45-G89 WeakPolarHBondContact CA-O 3.25Å; I46-G89 PolarHBondContact N-O 2.81Å
90I96.7Very high90.3Very high30 Ų3040.5 Ų40.515%0.15423%0.231CC..EExtended strand (participates in β ladder)trans-127.3127.7174.1-52.6166.6000108.1I46 F48 N64 A67 L87 I92 V240I46-I90 CarbonylContact O-C 3.58Å; I46-I90 VanDerWaalsContact O-CA 3.3Å; I46-I90 WeakPolarHBondContact O-CA 3.36Å; F48-I90 HydrophobicContact CD2-CG2 4.23Å; F48-I90 HydrophobicContact CE2-CG2 4.17Å; N64-I90 HydrophobicContact CB-CD1 4.26Å; A67-I90 HydrophobicContact CB-CD1 3.67Å; A67-I90 HydrophobicContact CB-CG1 3.91Å; A67-I90 HydrophobicContact CB-CG2 4.28Å; L87-I90 HydrophobicContact CD1-CG1 4.25Å; L87-I90 HydrophobicContact CD2-CD1 3.92Å; L87-I90 HydrophobicContact CD2-CG1 3.95Å; L87-I90 HydrophobicContact CG-CG1 4.27Å; I90-I92 HydrophobicContact CG2-CG1 4.26Å; I90-V240 HydrophobicContact CD1-CG1 3.65Å; I90-V240 HydrophobicContact CG1-CG1 4.13Å
91E95.7Very high90.3Very high33 Ų3339.8 Ų39.815%0.15423%0.226CC..EExtended strand (participates in β ladder)trans-120.8125.2171.8-170.8167.6-142.400111I46 V47 F48 L93 Y115 L120 R123 I124I46-E91 PolarHBondContact O-N 3.05Å; V47-E91 CarbonylContact C-O 3.35Å; V47-E91 VanDerWaalsContact CA-O 3.29Å; V47-E91 WeakPolarHBondContact CA-O 3.5Å; V47-E91 HydrophobicContact CG1-CB 4.4Å; V47-E91 HydrophobicContact CG2-CB 4.26Å; F48-E91 PolarHBondContact N-O 3.08Å; E91-L93 HydrophobicContact CG-CD2 4.21Å; E91-Y115 PolarHBondContact OE1-OH 2.92Å; E91-Y115 VanDerWaalsContact OE1-OH 3.11Å; E91-Y115 WeakPolarHBondContact OE2-CE1 3.16Å; E91-Y115 PolarHBondContact OE2-OH 2.89Å; E91-L120 HydrophobicContact CB-CD1 4.25Å; E91-L120 WeakPolarHBondContact OE2-CD1 3.39Å; E91-R123 IonicContact OE1-CZ 3.32Å; E91-R123 IonicContact OE1-NE 2.73Å; E91-R123 PolarHBondContact OE1-NE 3.31Å; E91-R123 IonicContact OE1-NH2 2.66Å; E91-R123 PolarHBondContact OE1-NH2 2.95Å; E91-R123 IonicContact OE2-NH2 3.08Å; E91-R123 PolarHBondContact OE2-NH2 2.77Å; E91-I124 HydrophobicContact CB-CD1 4.47Å
92I96Very high90.3Very high25 Ų2545.4 Ų45.413%0.12825%0.247CC..EExtended strand (participates in β ladder)trans-111.4108.9178.7-58.3167.6000108.6F48 Y53 K60 L63 I90 S94F48-I92 HydrophobicContact CB-CG1 4.48Å; F48-I92 HydrophobicContact CD2-CG1 4.04Å; Y53-I92 HydrophobicContact CD2-CG2 3.73Å; Y53-I92 HydrophobicContact CE2-CG2 4.43Å; Y53-I92 HydrophobicContact CG-CG2 4.11Å; K60-I92 HydrophobicContact CB-CD1 3.87Å; K60-I92 HydrophobicContact CG-CD1 4.01Å; L63-I92 HydrophobicContact CB-CD1 3.8Å; L63-I92 HydrophobicContact CB-CG1 4.39Å; L63-I92 HydrophobicContact CD1-CD1 4.13Å; L63-I92 HydrophobicContact CD1-CG1 4.2Å; L63-I92 HydrophobicContact CD1-CG2 3.77Å; I90-I92 HydrophobicContact CG2-CG1 4.26Å; I92-S94 PolarHBondContact O-N 2.95Å
93L94.4Very high90.4Very high20 Ų2048.5 Ų48.511%0.10526%0.26CS..  trans-75.774.9178.4-57.7-179000110.7V47 F48 L50 E91 S95 F99V47-L93 HydrophobicContact CG1-CD1 4.17Å; V47-L93 HydrophobicContact CG1-CG 4.15Å; F48-L93 WeakPolarHBondContact O-CB 3.26Å; F48-L93 PolarHBondContact O-N 2.92Å; L50-L93 VanDerWaalsContact CA-O 3.27Å; L50-L93 WeakPolarHBondContact CA-O 3.46Å; L50-L93 PolarHBondContact N-O 3.36Å; E91-L93 HydrophobicContact CG-CD2 4.21Å; L93-S95 PolarHBondContact O-N 3.37Å; L93-F99 HydrophobicContact CD1-CD1 4.26Å; L93-F99 HydrophobicContact CD1-CE1 3.94Å
94S90.2Very high90.3Very high46 Ų4651.2 Ų51.232%0.32228%0.275SS..  trans-74.72.4-175.853.50000115.8Y53 I92Y53-S94 VanDerWaalsContact CE1-CB 3.45Å; I92-S94 PolarHBondContact O-N 2.95Å
95S85.8Confident90.2Very high54 Ų5450.5 Ų50.538%0.37827%0.273SS..SBendtrans-138.1163.2-179.870.20000111.2L93 N97 G98L93-S95 PolarHBondContact O-N 3.37Å; S95-N97 PolarHBondContact O-N 2.95Å; S95-N97 PolarHBondContact OG-N 3.4Å; S95-G98 PolarHBondContact O-N 2.87Å
96Q78.1Confident90Very high177 Ų17753.7 Ų53.783%0.82729%0.287SS*.THydrogen-bonded Turntrans-67.3-2.6175.3-65.3-17112.800114L50 G98L50-Q96 HydrophobicContact CD2-CG 3.83Å; Q96-G98 PolarHBondContact O-N 3.14Å
97N71.9Confident90Very high155 Ų15555.3 Ų55.383%0.82930%0.296SS*.THydrogen-bonded Turntrans-74-3.7177-62.4-27.2000113.4S95S95-N97 PolarHBondContact O-N 2.95Å; S95-N97 PolarHBondContact OG-N 3.4Å
98G74.7Confident89.9Confident28 Ų2855 Ų5529%0.28929%0.294SS..SBendtrans-71.1-174.1169.300000112.9S95 Q96S95-G98 PolarHBondContact O-N 2.87Å; Q96-G98 PolarHBondContact O-N 3.14Å
99F83.4Confident89.9Confident34 Ų3453.7 Ų53.715%0.14929%0.286CS..PPolyproline II helixtrans-89139.9169.564.4-82.7000109.7L93 V101 D111 F112 Y115 L131L93-F99 HydrophobicContact CD1-CD1 4.26Å; L93-F99 HydrophobicContact CD1-CE1 3.94Å; F99-V101 HydrophobicContact CE2-CG2 4.18Å; F99-V101 PolarHBondContact O-N 3.47Å; F99-D111 HydrophobicContact CD2-CB 4.31Å; F99-F112 HydrophobicContact CE1-CD2 4.07Å; F99-F112 HydrophobicContact CE2-CB 4.07Å; F99-F112 HydrophobicContact CE2-CD2 4.49Å; F99-F112 HydrophobicContact CZ-CB 3.97Å; F99-F112 AromaticContact CZ-CD2 3.56Å; F99-F112 HydrophobicContact CZ-CD2 3.56Å; F99-F112 HydrophobicContact CZ-CG 4.21Å; F99-Y115 HydrophobicContact CD1-CD1 4.1Å; F99-Y115 AromaticContact CD1-CD2 3.66Å; F99-Y115 HydrophobicContact CD1-CD2 3.66Å; F99-Y115 HydrophobicContact CD1-CE2 4.32Å; F99-Y115 AromaticContact CD1-CG 3.52Å; F99-Y115 HydrophobicContact CD1-CG 3.52Å; F99-Y115 AromaticContact CE1-CD1 3.62Å; F99-Y115 HydrophobicContact CE1-CD1 3.62Å; F99-Y115 HydrophobicContact CE1-CD2 4.06Å; F99-Y115 HydrophobicContact CE1-CE1 4.25Å; F99-Y115 AromaticContact CE1-CG 3.51Å; F99-Y115 HydrophobicContact CE1-CG 3.51Å; F99-L131 HydrophobicContact CE2-CD2 3.98Å; F99-L131 HydrophobicContact CZ-CD1 4.16Å; F99-L131 HydrophobicContact CZ-CD2 3.89Å
100P84.9Confident89.9Confident103 Ų10358.1 Ų58.167%0.66930%0.301SS*.PPolyproline II helixtrans-70.9128.7176.228.5-33.1000110.2
101V91.3Very high89.8Confident22 Ų2258.7 Ų58.713%0.13331%0.305CS..PPolyproline II helixtrans-77.2124.8174.4-175.10000109D49 F99 A108 L131 T133 T135 F137D49-V101 HydrophobicContact CB-CG2 3.82Å; D49-V101 VanDerWaalsContact OD2-CG2 3.29Å; D49-V101 WeakPolarHBondContact OD2-CG2 3.47Å; F99-V101 HydrophobicContact CE2-CG2 4.18Å; F99-V101 PolarHBondContact O-N 3.47Å; V101-A108 HydrophobicContact CG1-CB 4.08Å; V101-L131 HydrophobicContact CG1-CD2 4.36Å; V101-L131 HydrophobicContact CG2-CD2 3.87Å; V101-T133 HydrophobicContact CG1-CG2 4.17Å; V101-T135 HydrophobicContact CG1-CG2 4.36Å; V101-F137 HydrophobicContact CG1-CE1 4.09Å
102R92.9Very high89.9Confident125 Ų12557.1 Ų57.147%0.47230%0.297SS..PPolyproline II helixtrans-89.8147.8-176.9-62.7174.469.8100.34.5110.3N104 D107 D111R102-N104 PolarHBondContact O-N 3.03Å; R102-D107 HydrophobicContact CB-CB 4.1Å; R102-D107 IonicContact CZ-OD2 3.28Å; R102-D107 IonicContact NE-OD2 3.1Å; R102-D107 PolarHBondContact NE-OD2 2.98Å; R102-D107 IonicContact NH2-OD2 3.78Å; R102-D111 WeakPolarHBondContact CD-OD2 3.32Å
103E93.4Very high89.8Confident101 Ų10156 Ų5647%0.47229%0.292SS..SBendtrans-67.6-25.3177-58.7175.4168.400113G105 F137 R138E103-G105 PolarHBondContact O-N 3Å; E103-F137 CarbonylContact O-C 3.56Å; E103-F137 VanDerWaalsContact O-CA 3.25Å; E103-F137 WeakPolarHBondContact O-CA 3.21Å; E103-R138 HydrophobicContact CB-CG 4.04Å; E103-R138 PolarHBondContact O-N 2.87Å; E103-R138 IonicContact OE2-CZ 2.75Å; E103-R138 IonicContact OE2-NE 3.46Å; E103-R138 PolarHBondContact OE2-NE 3.48Å; E103-R138 VanDerWaalsContact OE2-NE 3.08Å; E103-R138 IonicContact OE2-NH2 3.75Å; E103-R138 PolarHBondContact OE2-NH2 3.24Å
104N93.9Very high89.8Confident58 Ų5859.3 Ų59.331%0.3131%0.307SS..SBendtrans-75.7114.6168.4179.8-43.5000107.6R102 E106 D107 A108R102-N104 PolarHBondContact O-N 3.03Å; N104-E106 VanDerWaalsContact C-N 3.31Å; N104-E106 PolarHBondContact O-N 2.87Å; N104-E106 WeakPolarHBondContact OD1-CB 3.49Å; N104-E106 PolarHBondContact OD1-N 2.91Å; N104-D107 HydrophobicContact CB-CB 4.11Å; N104-D107 WeakPolarHBondContact O-CB 3.31Å; N104-D107 PolarHBondContact O-N 3.33Å; N104-D107 PolarHBondContact OD1-N 2.95Å; N104-A108 PolarHBondContact O-N 3.29Å
105G91.5Very high90Very high4 Ų458.8 Ų58.84%0.04130%0.298CS..Hα-helixtrans-64.5-30.3-176.200000114.1E103 A108 L109 K144E103-G105 PolarHBondContact O-N 3Å; G105-A108 PolarHBondContact O-N 3.4Å; G105-L109 WeakPolarHBondContact O-CB 3.29Å; G105-L109 PolarHBondContact O-N 3.47Å; G105-K144 WeakPolarHBondContact O-CD 3.26Å
106E92.3Very high90.4Very high71 Ų7156.4 Ų56.433%0.33228%0.281SS..Hα-helixtrans-68.4-42177-61.3-175.915700111.1N104 L109 R110 K144 Y708N104-E106 VanDerWaalsContact C-N 3.31Å; N104-E106 PolarHBondContact O-N 2.87Å; N104-E106 WeakPolarHBondContact OD1-CB 3.49Å; N104-E106 PolarHBondContact OD1-N 2.91Å; E106-L109 PolarHBondContact O-N 3.23Å; E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 PolarHBondContact O-N 3.18Å; E106-K144 HydrophobicContact CG-CD 4.25Å; E106-Y708 HydrophobicContact CB-CD1 4.44Å; E106-Y708 HydrophobicContact CB-CE1 4.32Å; E106-Y708 HydrophobicContact CG-CD1 4.19Å; E106-Y708 HydrophobicContact CG-CG 4.39Å
107D94.4Very high91.1Very high35 Ų3548.2 Ų48.219%0.18724%0.242CC..Hα-helixtrans-62.7-45.7173.2-81.9-27.1000110.6R102 N104 L109 R110 D111R102-D107 HydrophobicContact CB-CB 4.1Å; R102-D107 IonicContact CZ-OD2 3.28Å; R102-D107 IonicContact NE-OD2 3.1Å; R102-D107 PolarHBondContact NE-OD2 2.98Å; R102-D107 IonicContact NH2-OD2 3.78Å; N104-D107 HydrophobicContact CB-CB 4.11Å; N104-D107 WeakPolarHBondContact O-CB 3.31Å; N104-D107 PolarHBondContact O-N 3.33Å; N104-D107 PolarHBondContact OD1-N 2.95Å; D107-L109 PolarHBondContact O-N 3.44Å; D107-R110 PolarHBondContact O-N 3.34Å; D107-R110 IonicContact OD1-CZ 3.9Å; D107-R110 IonicContact OD1-NH1 3.31Å; D107-R110 PolarHBondContact OD1-NH1 3.11Å; D107-R110 IonicContact OD1-NH2 2.76Å; D107-R110 PolarHBondContact OD1-NH2 3.38Å; D107-D111 WeakPolarHBondContact O-CB 3.36Å; D107-D111 PolarHBondContact O-N 3.12Å
108A95.5Very high92Very high1 Ų144.1 Ų44.11%0.00822%0.218CC..Hα-helixtrans-59.7-44.7177.600000112.1V101 N104 G105 D111 F112 F137V101-A108 HydrophobicContact CG1-CB 4.08Å; N104-A108 PolarHBondContact O-N 3.29Å; G105-A108 PolarHBondContact O-N 3.4Å; A108-D111 PolarHBondContact O-N 3.33Å; A108-F112 WeakPolarHBondContact O-CB 3.32Å; A108-F112 PolarHBondContact O-N 3.19Å; A108-F137 HydrophobicContact CB-CE1 3.74Å; A108-F137 HydrophobicContact CB-CZ 4.35Å
109L95.8Very high92.8Very high0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-62.8-46.2176.3179.659.2000111.7G105 E106 D107 D111 F112 V113 K144 L146 V159 Y708G105-L109 WeakPolarHBondContact O-CB 3.29Å; G105-L109 PolarHBondContact O-N 3.47Å; E106-L109 PolarHBondContact O-N 3.23Å; D107-L109 PolarHBondContact O-N 3.44Å; L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 2.91Å; L109-F112 PolarHBondContact O-N 3.01Å; L109-V113 HydrophobicContact CD1-CG1 3.97Å; L109-V113 WeakPolarHBondContact O-CG2 3.23Å; L109-V113 PolarHBondContact O-N 3.3Å; L109-K144 HydrophobicContact CD2-CB 4.02Å; L109-L146 HydrophobicContact CD2-CD2 4.27Å; L109-L146 HydrophobicContact CD2-CG 3.9Å; L109-L146 HydrophobicContact CG-CG 4.43Å; L109-V159 HydrophobicContact CB-CG1 4.2Å; L109-V159 HydrophobicContact CB-CG2 4.04Å; L109-V159 HydrophobicContact CD1-CG1 4.07Å; L109-Y708 HydrophobicContact CD2-CD1 4.32Å; L109-Y708 HydrophobicContact CD2-CE1 4.48Å
110R94.6Very high93.3Very high98 Ų9842.3 Ų42.337%0.3721%0.206SC..Hα-helixtrans-57.4-46.7176.6-179.5-169.467-136.3-11.1111.3E106 D107 F112 V113 H114E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 PolarHBondContact O-N 3.18Å; D107-R110 PolarHBondContact O-N 3.34Å; D107-R110 IonicContact OD1-CZ 3.9Å; D107-R110 IonicContact OD1-NH1 3.31Å; D107-R110 PolarHBondContact OD1-NH1 3.11Å; D107-R110 IonicContact OD1-NH2 2.76Å; D107-R110 PolarHBondContact OD1-NH2 3.38Å; R110-F112 VanDerWaalsContact C-N 3.34Å; R110-V113 WeakPolarHBondContact O-CG2 3.47Å; R110-H114 VanDerWaalsContact O-CB 3.31Å; R110-H114 WeakPolarHBondContact O-CB 3.31Å; R110-H114 PolarHBondContact O-N 3.16Å; R110-H114 VanDerWaalsContact O-N 3.16Å
111D95.1Very high93.7Very high42 Ų4238.5 Ų38.523%0.22518%0.181CC..Hα-helixtrans-69.1-36.4-177.2-63.2-8000110.4F99 R102 D107 A108 L109 Y115F99-D111 HydrophobicContact CD2-CB 4.31Å; R102-D111 WeakPolarHBondContact CD-OD2 3.32Å; D107-D111 WeakPolarHBondContact O-CB 3.36Å; D107-D111 PolarHBondContact O-N 3.12Å; A108-D111 PolarHBondContact O-N 3.33Å; L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 2.91Å; D111-Y115 PolarHBondContact O-N 2.68Å
112F97Very high93.6Very high0 Ų045.7 Ų45.70%021%0.205CC..Hα-helixtrans-69-48.1176176.6-122.5000113.7V47 F99 A108 L109 R110 H114 Y115 R116 A129 L131 A158 V159V47-F112 HydrophobicContact CB-CE2 3.95Å; V47-F112 HydrophobicContact CB-CZ 4.37Å; V47-F112 HydrophobicContact CG1-CE2 4.44Å; V47-F112 HydrophobicContact CG2-CE2 3.86Å; V47-F112 HydrophobicContact CG2-CZ 4.15Å; F99-F112 HydrophobicContact CE1-CD2 4.07Å; F99-F112 HydrophobicContact CE2-CB 4.07Å; F99-F112 HydrophobicContact CE2-CD2 4.49Å; F99-F112 HydrophobicContact CZ-CB 3.97Å; F99-F112 AromaticContact CZ-CD2 3.56Å; F99-F112 HydrophobicContact CZ-CD2 3.56Å; F99-F112 HydrophobicContact CZ-CG 4.21Å; A108-F112 WeakPolarHBondContact O-CB 3.32Å; A108-F112 PolarHBondContact O-N 3.19Å; L109-F112 PolarHBondContact O-N 3.01Å; R110-F112 VanDerWaalsContact C-N 3.34Å; F112-H114 PolarHBondContact O-N 3.23Å; F112-Y115 HydrophobicContact CD2-CD1 4.36Å; F112-Y115 HydrophobicContact CE2-CD1 4.42Å; F112-Y115 CarbonylContact O-C 3.6Å; F112-Y115 WeakPolarHBondContact O-CA 3.46Å; F112-Y115 WeakPolarHBondContact O-CB 3.43Å; F112-Y115 PolarHBondContact O-N 2.93Å; F112-R116 PolarHBondContact O-N 3.41Å; F112-A129 HydrophobicContact CE1-CB 4.22Å; F112-A129 WeakPolarHBondContact CE1-O 3.18Å; F112-A129 HydrophobicContact CZ-CB 3.73Å; F112-L131 HydrophobicContact CB-CD2 4.27Å; F112-L131 HydrophobicContact CD1-CB 3.81Å; F112-L131 HydrophobicContact CD2-CB 3.8Å; F112-L131 HydrophobicContact CD2-CD2 4.39Å; F112-L131 HydrophobicContact CD2-CG 4.46Å; F112-L131 HydrophobicContact CE1-CB 3.83Å; F112-L131 VanDerWaalsContact CE1-N 3.28Å; F112-L131 HydrophobicContact CE2-CB 3.81Å; F112-L131 HydrophobicContact CG-CB 3.78Å; F112-L131 HydrophobicContact CG-CD2 4.29Å; F112-L131 HydrophobicContact CZ-CB 3.82Å; F112-L131 VanDerWaalsContact CZ-N 3.32Å; F112-A158 WeakPolarHBondContact CD1-O 3.4Å; F112-A158 WeakPolarHBondContact CE1-O 3.34Å; F112-V159 HydrophobicContact CB-CG1 3.89Å; F112-V159 HydrophobicContact CD1-CG1 3.94Å; F112-V159 HydrophobicContact CG-CG1 4.19Å
113V95.1Very high93.6Very high3 Ų346.1 Ų46.12%0.01821%0.207CC..Hα-helixtrans-65.1-31.1178.2-60.50000111.5L109 R110 R116 H117L109-V113 HydrophobicContact CD1-CG1 3.97Å; L109-V113 WeakPolarHBondContact O-CG2 3.23Å; L109-V113 PolarHBondContact O-N 3.3Å; R110-V113 WeakPolarHBondContact O-CG2 3.47Å; V113-R116 PolarHBondContact O-N 2.9Å; V113-H117 WeakPolarHBondContact O-CB 3.14Å; V113-H117 PolarHBondContact O-N 2.78Å
114H93.6Very high93.6Very high89 Ų8942.8 Ų42.841%0.41219%0.192SC..Hα-helixtrans-64.3-44.5170-179.2-79.3000111.6R110 F112 H117 H118R110-H114 VanDerWaalsContact O-CB 3.31Å; R110-H114 WeakPolarHBondContact O-CB 3.31Å; R110-H114 PolarHBondContact O-N 3.16Å; R110-H114 VanDerWaalsContact O-N 3.16Å; F112-H114 PolarHBondContact O-N 3.23Å; H114-H117 PolarHBondContact O-N 3.23Å; H114-H118 AromaticContact CD2-CD2 3.64Å; H114-H118 AromaticContact CD2-NE2 3.81Å; H114-H118 AromaticContact CE1-CD2 3.47Å; H114-H118 PolarHBondContact CE1-CD2 2.61Å; H114-H118 VanDerWaalsContact CE1-CD2 3.47Å; H114-H118 AromaticContact CG-CD2 3.83Å; H114-H118 AromaticContact ND1-CD2 3.73Å; H114-H118 AromaticContact NE2-CD2 3.45Å; H114-H118 PolarHBondContact NE2-CD2 3.44Å; H114-H118 AromaticContact NE2-NE2 3.61Å; H114-H118 PolarHBondContact O-CD2 3.27Å; H114-H118 VanDerWaalsContact O-CD2 3.27Å; H114-H118 PolarHBondContact O-N 3.25Å; H114-H118 VanDerWaalsContact O-N 3.09Å
115Y94.5Very high93.5Very high34 Ų3444.3 Ų44.313%0.13321%0.205CC..Hα-helixtrans-60.1-44.2173.1173.4-97.5000112.1E91 F99 D111 F112 H117 A119 L120 R123E91-Y115 PolarHBondContact OE1-OH 2.92Å; E91-Y115 VanDerWaalsContact OE1-OH 3.11Å; E91-Y115 WeakPolarHBondContact OE2-CE1 3.16Å; E91-Y115 PolarHBondContact OE2-OH 2.89Å; F99-Y115 HydrophobicContact CD1-CD1 4.1Å; F99-Y115 AromaticContact CD1-CD2 3.66Å; F99-Y115 HydrophobicContact CD1-CD2 3.66Å; F99-Y115 HydrophobicContact CD1-CE2 4.32Å; F99-Y115 AromaticContact CD1-CG 3.52Å; F99-Y115 HydrophobicContact CD1-CG 3.52Å; F99-Y115 AromaticContact CE1-CD1 3.62Å; F99-Y115 HydrophobicContact CE1-CD1 3.62Å; F99-Y115 HydrophobicContact CE1-CD2 4.06Å; F99-Y115 HydrophobicContact CE1-CE1 4.25Å; F99-Y115 AromaticContact CE1-CG 3.51Å; F99-Y115 HydrophobicContact CE1-CG 3.51Å; D111-Y115 PolarHBondContact O-N 2.68Å; F112-Y115 HydrophobicContact CD2-CD1 4.36Å; F112-Y115 HydrophobicContact CE2-CD1 4.42Å; F112-Y115 CarbonylContact O-C 3.6Å; F112-Y115 WeakPolarHBondContact O-CA 3.46Å; F112-Y115 WeakPolarHBondContact O-CB 3.43Å; F112-Y115 PolarHBondContact O-N 2.93Å; Y115-H117 PolarHBondContact O-N 3.48Å; Y115-A119 HydrophobicContact CD2-CB 3.95Å; Y115-A119 HydrophobicContact CE2-CB 3.73Å; Y115-A119 WeakPolarHBondContact O-CA 3.31Å; Y115-A119 WeakPolarHBondContact O-CB 3.22Å; Y115-A119 PolarHBondContact O-N 2.88Å; Y115-L120 HydrophobicContact CE1-CB 4.25Å; Y115-L120 PolarHBondContact O-N 3.16Å; Y115-R123 PolarHBondContact OH-NH2 3.18Å
116R94.9Very high93.7Very high4 Ų444.6 Ų44.62%0.01521%0.206CC..Iπ-helixtrans-54.8-54.3176.5173.2-178.6173.6-101.71.5110.8F112 V113 H118 L120 L121 N126 D127 A129 S152 A153 S156F112-R116 PolarHBondContact O-N 3.41Å; V113-R116 PolarHBondContact O-N 2.9Å; R116-H118 PolarHBondContact O-N 3.28Å; R116-L120 HydrophobicContact CB-CB 4.45Å; R116-L120 HydrophobicContact CB-CD2 4.43Å; R116-L120 HydrophobicContact CG-CB 4.45Å; R116-L120 HydrophobicContact CG-CD2 4.21Å; R116-L120 PolarHBondContact O-N 3.09Å; R116-L120 VanDerWaalsContact O-N 3.16Å; R116-L121 HydrophobicContact CG-CG 4.12Å; R116-L121 PolarHBondContact O-N 3.01Å; R116-N126 PolarHBondContact NE-OD1 2.98Å; R116-N126 PolarHBondContact NH2-O 3.35Å; R116-N126 PolarHBondContact NH2-OD1 3.47Å; R116-D127 PolarHBondContact NH2-O 2.87Å; R116-D127 VanDerWaalsContact NH2-O 3.09Å; R116-A129 HydrophobicContact CG-CB 4.19Å; R116-S152 PolarHBondContact NH1-O 3.05Å; R116-A153 PolarHBondContact NH1-O 3.24Å; R116-S156 WeakPolarHBondContact CD-O 3.19Å; R116-S156 VanDerWaalsContact CZ-O 3.28Å; R116-S156 PolarHBondContact NE-O 3.11Å; R116-S156 PolarHBondContact NH1-O 3.07Å; R116-S156 VanDerWaalsContact NH1-O 3.15Å
117H92.4Very high93.8Very high6 Ų641.7 Ų41.73%0.02819%0.192CC..Iπ-helixtrans-60.2-47.7-176.3-174.947.3000112.9V113 H114 Y115 A153 R385V113-H117 WeakPolarHBondContact O-CB 3.14Å; V113-H117 PolarHBondContact O-N 2.78Å; H114-H117 PolarHBondContact O-N 3.23Å; Y115-H117 PolarHBondContact O-N 3.48Å; H117-A153 PolarHBondContact ND1-O 3.27Å; H117-R385 PolarHBondContact CE1-O 2.83Å; H117-R385 PolarHBondContact NE2-O 3.1Å
118H90.9Very high93.9Very high68 Ų6840 Ų4032%0.31518%0.184SC..Iπ-helixtrans-89.9-20.4-170.9-69.1-68.7000114.7H114 R116 Y386H114-H118 AromaticContact CD2-CD2 3.64Å; H114-H118 AromaticContact CD2-NE2 3.81Å; H114-H118 AromaticContact CE1-CD2 3.47Å; H114-H118 PolarHBondContact CE1-CD2 2.61Å; H114-H118 VanDerWaalsContact CE1-CD2 3.47Å; H114-H118 AromaticContact CG-CD2 3.83Å; H114-H118 AromaticContact ND1-CD2 3.73Å; H114-H118 AromaticContact NE2-CD2 3.45Å; H114-H118 PolarHBondContact NE2-CD2 3.44Å; H114-H118 AromaticContact NE2-NE2 3.61Å; H114-H118 PolarHBondContact O-CD2 3.27Å; H114-H118 VanDerWaalsContact O-CD2 3.27Å; H114-H118 PolarHBondContact O-N 3.25Å; H114-H118 VanDerWaalsContact O-N 3.09Å; R116-H118 PolarHBondContact O-N 3.28Å; H118-Y386 PolarHBondContact CE1-O 3.23Å; H118-Y386 VanDerWaalsContact CE1-O 3.28Å
119A92Very high94.1Very high23 Ų2340 Ų4019%0.1918%0.183CC..Iπ-helixtrans-127.3-54.2-174.100000113.3Y115 R123Y115-A119 HydrophobicContact CD2-CB 3.95Å; Y115-A119 HydrophobicContact CE2-CB 3.73Å; Y115-A119 WeakPolarHBondContact O-CA 3.31Å; Y115-A119 WeakPolarHBondContact O-CB 3.22Å; Y115-A119 PolarHBondContact O-N 2.88Å; A119-R123 PolarHBondContact O-NH1 3.06Å
120L94Very high94.2Very high1 Ų140 Ų401%0.00518%0.183CC..Iπ-helixtrans-65.1-51.1-171.8-17365.5000112A45 V47 E91 Y115 R116 R122 R123 I124 A129A45-L120 HydrophobicContact CB-CD2 4.17Å; V47-L120 HydrophobicContact CG2-CD1 4.22Å; V47-L120 HydrophobicContact CG2-CD2 3.86Å; E91-L120 HydrophobicContact CB-CD1 4.25Å; E91-L120 WeakPolarHBondContact OE2-CD1 3.39Å; Y115-L120 HydrophobicContact CE1-CB 4.25Å; Y115-L120 PolarHBondContact O-N 3.16Å; R116-L120 HydrophobicContact CB-CB 4.45Å; R116-L120 HydrophobicContact CB-CD2 4.43Å; R116-L120 HydrophobicContact CG-CB 4.45Å; R116-L120 HydrophobicContact CG-CD2 4.21Å; R116-L120 PolarHBondContact O-N 3.09Å; R116-L120 VanDerWaalsContact O-N 3.16Å; L120-R122 PolarHBondContact O-N 3.49Å; L120-R123 PolarHBondContact O-N 3.4Å; L120-I124 HydrophobicContact CD1-CB 4.2Å; L120-I124 HydrophobicContact CD1-CD1 3.92Å; L120-I124 HydrophobicContact CD1-CG1 4.38Å; L120-I124 HydrophobicContact CG-CB 4.49Å; L120-I124 PolarHBondContact O-N 3.46Å; L120-A129 HydrophobicContact CD2-CB 3.59Å
121L92.4Very high94.4Very high24 Ų2435.3 Ų35.313%0.12617%0.166CC..Hα-helixtrans-56.8-28.9-174.5-77176.8000113.8R116 R123 I124 N126 A153R116-L121 HydrophobicContact CG-CG 4.12Å; R116-L121 PolarHBondContact O-N 3.01Å; L121-R123 VanDerWaalsContact C-N 3.32Å; L121-R123 PolarHBondContact O-N 2.8Å; L121-I124 WeakPolarHBondContact CA-O 3.42Å; L121-N126 WeakPolarHBondContact CD2-O 3.37Å; L121-A153 HydrophobicContact CD1-CB 4.48Å
122R90.1Very high94.5Very high172 Ų17233.3 Ų33.365%0.64916%0.155SC*.Hα-helixtrans-70.5-28.5177.1-68.1-176.1175.1-172.9-0.6113.4L120L120-R122 PolarHBondContact O-N 3.49Å
123R92.1Very high94.5Very high135 Ų13533.3 Ų33.351%0.50916%0.155SC..Hα-helixtrans-99.7-38.5-177.8-63.8-170.5-66.7-80.63.2111.4E91 Y115 A119 L120 L121E91-R123 IonicContact OE1-CZ 3.32Å; E91-R123 IonicContact OE1-NE 2.73Å; E91-R123 PolarHBondContact OE1-NE 3.31Å; E91-R123 IonicContact OE1-NH2 2.66Å; E91-R123 PolarHBondContact OE1-NH2 2.95Å; E91-R123 IonicContact OE2-NH2 3.08Å; E91-R123 PolarHBondContact OE2-NH2 2.77Å; Y115-R123 PolarHBondContact OH-NH2 3.18Å; A119-R123 PolarHBondContact O-NH1 3.06Å; L120-R123 PolarHBondContact O-N 3.4Å; L121-R123 VanDerWaalsContact C-N 3.32Å; L121-R123 PolarHBondContact O-N 2.8Å
124I93Very high94.5Very high30 Ų3035 Ų3515%0.15417%0.166CC..SBendtrans-13492.4-176-56.9175.5000106.7A45 V88 E91 L120 L121 N126A45-I124 HydrophobicContact CB-CG2 4.12Å; V88-I124 HydrophobicContact CG2-CG2 4.43Å; E91-I124 HydrophobicContact CB-CD1 4.47Å; L120-I124 HydrophobicContact CD1-CB 4.2Å; L120-I124 HydrophobicContact CD1-CD1 3.92Å; L120-I124 HydrophobicContact CD1-CG1 4.38Å; L120-I124 HydrophobicContact CG-CB 4.49Å; L120-I124 PolarHBondContact O-N 3.46Å; L121-I124 WeakPolarHBondContact CA-O 3.42Å; I124-N126 PolarHBondContact O-N 3.47Å; I124-N126 PolarHBondContact O-ND2 3.14Å
125P92.7Very high94.5Very high91 Ų9132.4 Ų32.459%0.59116%0.157SC*.  trans-55136166-23.234.9000110.1V88V88-P125 WeakPolarHBondContact CG2-O 3.46Å
126N94.5Very high94.4Very high10 Ų1038.2 Ų38.25%0.05319%0.185CC..  trans-162.9152.6-179.66084.4000111A45 V88 R116 L121 I124 V128A45-N126 HydrophobicContact CB-CB 3.83Å; V88-N126 HydrophobicContact CG2-CB 3.92Å; R116-N126 PolarHBondContact NE-OD1 2.98Å; R116-N126 PolarHBondContact NH2-O 3.35Å; R116-N126 PolarHBondContact NH2-OD1 3.47Å; L121-N126 WeakPolarHBondContact CD2-O 3.37Å; I124-N126 PolarHBondContact O-N 3.47Å; I124-N126 PolarHBondContact O-ND2 3.14Å; N126-V128 VanDerWaalsContact OD1-C 3.32Å; N126-V128 PolarHBondContact OD1-O 2.83Å
127D95.7Very high94.3Very high10 Ų1038.6 Ų38.65%0.05319%0.187CC..SBendtrans-78.1-37.1175.5-62.6-34.1000111.7L42 E43 R116 S156 C231L42-D127 HydrophobicContact CD1-CB 3.77Å; E43-D127 HydrophobicContact CB-CB 4.29Å; E43-D127 WeakPolarHBondContact CB-OD2 3.18Å; E43-D127 PolarHBondContact N-OD2 3.25Å; E43-D127 PolarHBondContact O-N 3.35Å; R116-D127 PolarHBondContact NH2-O 2.87Å; R116-D127 VanDerWaalsContact NH2-O 3.09Å; D127-S156 WeakPolarHBondContact O-CB 3.43Å; D127-S156 PolarHBondContact O-OG 2.88Å; D127-C231 VanDerWaalsContact CG-SG 3.6Å; D127-C231 VanDerWaalsContact OD1-CB 3.29Å; D127-C231 WeakPolarHBondContact OD1-CB 3.23Å; D127-C231 PolarHBondContact OD1-SG 3.27Å
128V97.2Very high94.3Very high0 Ų045.5 Ų45.50%021%0.213CC..EExtended strand (participates in β ladder)trans-144.7143.5179.367.50000110.1L42 E43 L44 A45 N126 I150 N181L42-V128 HydrophobicContact CD1-CB 4.44Å; L42-V128 HydrophobicContact CD1-CG1 3.83Å; L42-V128 HydrophobicContact CD2-CG1 3.99Å; L42-V128 HydrophobicContact CG-CG1 3.94Å; E43-V128 PolarHBondContact O-N 3.29Å; L44-V128 WeakPolarHBondContact CA-O 3.36Å; L44-V128 HydrophobicContact CB-CG1 4.49Å; L44-V128 HydrophobicContact CD1-CG1 3.94Å; A45-V128 PolarHBondContact N-O 3.45Å; N126-V128 VanDerWaalsContact OD1-C 3.32Å; N126-V128 PolarHBondContact OD1-O 2.83Å; V128-I150 HydrophobicContact CB-CD1 4.2Å; V128-N181 WeakPolarHBondContact CG2-OD1 3.02Å
129A97.7Very high94.1Very high0 Ų048.2 Ų48.20%024%0.235CC..EExtended strand (participates in β ladder)trans-121.3148169.900000111.6A45 F112 R116 L120 G157 A158A45-A129 HydrophobicContact CB-CB 4.09Å; A45-A129 CarbonylContact O-C 3.43Å; A45-A129 WeakPolarHBondContact O-CA 3.4Å; F112-A129 HydrophobicContact CE1-CB 4.22Å; F112-A129 WeakPolarHBondContact CE1-O 3.18Å; F112-A129 HydrophobicContact CZ-CB 3.73Å; R116-A129 HydrophobicContact CG-CB 4.19Å; L120-A129 HydrophobicContact CD2-CB 3.59Å; A129-G157 CarbonylContact O-C 3.57Å; A129-G157 WeakPolarHBondContact O-CA 3.14Å; A129-A158 PolarHBondContact O-N 3.38Å
130V98.4Very high93.7Very high0 Ų048.7 Ų48.70%024%0.241CC..EExtended strand (participates in β ladder)trans-125.7124.41791790000109.5L44 A45 V47 I132 A158 V160 I174 I178L44-V130 HydrophobicContact CD1-CB 4.32Å; L44-V130 HydrophobicContact CD1-CG2 3.68Å; A45-V130 PolarHBondContact O-N 2.89Å; V47-V130 PolarHBondContact N-O 3.17Å; V130-I132 HydrophobicContact CG1-CG1 4.27Å; V130-A158 WeakPolarHBondContact CA-O 3.1Å; V130-A158 HydrophobicContact CG2-CB 4.37Å; V130-V160 HydrophobicContact CG1-CG2 4.15Å; V130-I174 HydrophobicContact CG1-CD1 4.26Å; V130-I174 HydrophobicContact CG1-CG1 4.03Å; V130-I174 HydrophobicContact CG1-CG2 4.35Å; V130-I174 HydrophobicContact CG2-CG2 4.08Å; V130-I178 HydrophobicContact CG2-CD1 4.35Å; V130-I178 HydrophobicContact CG2-CG1 4.36Å
131L98.2Very high93.5Very high0 Ų048.8 Ų48.80%024%0.242CC..EExtended strand (participates in β ladder)trans-86.4124.2168.9177.466.4000109V47 D49 F99 V101 F112 A158 V159 V160V47-L131 HydrophobicContact CB-CD1 4.25Å; V47-L131 HydrophobicContact CG1-CD1 4.09Å; V47-L131 CarbonylContact O-C 3.48Å; V47-L131 WeakPolarHBondContact O-CA 3.34Å; V47-L131 WeakPolarHBondContact O-CD1 3.44Å; D49-L131 HydrophobicContact CB-CD1 4.08Å; F99-L131 HydrophobicContact CE2-CD2 3.98Å; F99-L131 HydrophobicContact CZ-CD1 4.16Å; F99-L131 HydrophobicContact CZ-CD2 3.89Å; V101-L131 HydrophobicContact CG1-CD2 4.36Å; V101-L131 HydrophobicContact CG2-CD2 3.87Å; F112-L131 HydrophobicContact CB-CD2 4.27Å; F112-L131 HydrophobicContact CD1-CB 3.81Å; F112-L131 HydrophobicContact CD2-CB 3.8Å; F112-L131 HydrophobicContact CD2-CD2 4.39Å; F112-L131 HydrophobicContact CD2-CG 4.46Å; F112-L131 HydrophobicContact CE1-CB 3.83Å; F112-L131 VanDerWaalsContact CE1-N 3.28Å; F112-L131 HydrophobicContact CE2-CB 3.81Å; F112-L131 HydrophobicContact CG-CB 3.78Å; F112-L131 HydrophobicContact CG-CD2 4.29Å; F112-L131 HydrophobicContact CZ-CB 3.82Å; F112-L131 VanDerWaalsContact CZ-N 3.32Å; L131-A158 PolarHBondContact N-O 2.9Å; L131-V159 HydrophobicContact CB-CB 4.42Å; L131-V159 HydrophobicContact CB-CG1 4.01Å; L131-V159 HydrophobicContact CD2-CB 4.46Å; L131-V159 HydrophobicContact CD2-CG1 3.92Å; L131-V159 CarbonylContact O-C 3.56Å; L131-V159 WeakPolarHBondContact O-CA 3.46Å; L131-V160 PolarHBondContact O-N 2.65Å
132I97.8Very high93.4Very high0 Ų047.9 Ų47.90%024%0.238CC..EExtended strand (participates in β ladder)trans-105125.4168.3-54176.1000107.6I46 V47 F48 D49 M52 V130 V160 D162 I174I46-I132 HydrophobicContact CG2-CD1 3.75Å; I46-I132 HydrophobicContact CG2-CG1 4.24Å; V47-I132 PolarHBondContact O-N 3.32Å; F48-I132 HydrophobicContact CD1-CB 3.77Å; F48-I132 HydrophobicContact CD1-CG2 4.19Å; F48-I132 HydrophobicContact CE1-CB 3.73Å; F48-I132 HydrophobicContact CE1-CD1 3.73Å; F48-I132 HydrophobicContact CE1-CG1 4.24Å; F48-I132 HydrophobicContact CE1-CG2 3.97Å; F48-I132 HydrophobicContact CZ-CD1 4.18Å; D49-I132 PolarHBondContact N-O 3.25Å; M52-I132 HydrophobicContact CE-CG2 3.8Å; M52-I132 HydrophobicContact CG-CG2 4.48Å; M52-I132 VanDerWaalsContact CG-O 3.27Å; M52-I132 WeakPolarHBondContact CG-O 3.21Å; M52-I132 HydrophobicContact SD-CG2 4.3Å; V130-I132 HydrophobicContact CG1-CG1 4.27Å; I132-V160 WeakPolarHBondContact CA-O 3.26Å; I132-D162 HydrophobicContact CG2-CB 3.99Å; I132-I174 HydrophobicContact CD1-CD1 3.78Å; I132-I174 HydrophobicContact CG1-CD1 4.22Å
133T96.8Very high93.6Very high0 Ų039.7 Ų39.70%021%0.207CC..EExtended strand (participates in β ladder)trans-131.3156.2-176.8-176.50000111.4D49 S51 V101 T135 F137 V160 L161 D162D49-T133 VanDerWaalsContact CG-OG1 3.27Å; D49-T133 PolarHBondContact OD1-OG1 2.76Å; D49-T133 WeakPolarHBondContact OD2-CB 3.35Å; D49-T133 PolarHBondContact OD2-OG1 3.49Å; S51-T133 PolarHBondContact OG-OG1 2.78Å; V101-T133 HydrophobicContact CG1-CG2 4.17Å; T133-T135 VanDerWaalsContact OG1-CB 3.3Å; T133-T135 WeakPolarHBondContact OG1-CB 3.48Å; T133-T135 PolarHBondContact OG1-N 2.93Å; T133-T135 PolarHBondContact OG1-OG1 3.23Å; T133-T135 VanDerWaalsContact OG1-OG1 3.13Å; T133-F137 HydrophobicContact CG2-CE1 4.4Å; T133-F137 HydrophobicContact CG2-CE2 4.22Å; T133-F137 HydrophobicContact CG2-CZ 3.71Å; T133-V160 PolarHBondContact N-O 3.08Å; T133-L161 CarbonylContact O-C 3.57Å; T133-L161 WeakPolarHBondContact O-CA 3.5Å; T133-D162 WeakPolarHBondContact O-CB 3.4Å; T133-D162 PolarHBondContact O-N 3.12Å
134S95.2Very high93.6Very high37 Ų3733.4 Ų33.426%0.25918%0.183SC..  trans-98.51.216671.70000113.1S51 Q136S51-S134 WeakPolarHBondContact CB-OG 3.49Å; S51-S134 PolarHBondContact O-OG 3.47Å; S51-S134 PolarHBondContact OG-N 2.97Å; S51-S134 PolarHBondContact OG-OG 2.66Å; S134-Q136 PolarHBondContact O-N 2.85Å
135T93.9Very high93.6Very high36 Ų3632 Ų3222%0.22118%0.176CC..SBendtrans-69.8115.2175.1-57.50000109.7V101 T133 F137 L161V101-T135 HydrophobicContact CG1-CG2 4.36Å; T133-T135 VanDerWaalsContact OG1-CB 3.3Å; T133-T135 WeakPolarHBondContact OG1-CB 3.48Å; T133-T135 PolarHBondContact OG1-N 2.93Å; T133-T135 PolarHBondContact OG1-OG1 3.23Å; T133-T135 VanDerWaalsContact OG1-OG1 3.13Å; T135-F137 PolarHBondContact O-N 3.49Å; T135-L161 WeakPolarHBondContact O-CD1 3.38Å
136Q92.9Very high93.5Very high155 Ų15527.8 Ų27.872%0.72415%0.148SC*.PPolyproline II helixtrans-67.1124.6179.4-68-171.557.400111S134S134-Q136 PolarHBondContact O-N 2.85Å
137F93.4Very high93.3Very high12 Ų1229 Ų295%0.05315%0.154CC..PPolyproline II helixtrans-78.5154.1172.1-57.1-55.1000111.2V101 E103 A108 T133 T135 V141 V159 L161V101-F137 HydrophobicContact CG1-CE1 4.09Å; E103-F137 CarbonylContact O-C 3.56Å; E103-F137 VanDerWaalsContact O-CA 3.25Å; E103-F137 WeakPolarHBondContact O-CA 3.21Å; A108-F137 HydrophobicContact CB-CE1 3.74Å; A108-F137 HydrophobicContact CB-CZ 4.35Å; T133-F137 HydrophobicContact CG2-CE1 4.4Å; T133-F137 HydrophobicContact CG2-CE2 4.22Å; T133-F137 HydrophobicContact CG2-CZ 3.71Å; T135-F137 PolarHBondContact O-N 3.49Å; F137-V141 HydrophobicContact CB-CB 4Å; F137-V141 HydrophobicContact CB-CG1 4.47Å; F137-V141 WeakPolarHBondContact CB-O 3.48Å; F137-V141 HydrophobicContact CD2-CG1 4.46Å; F137-V159 HydrophobicContact CE2-CG2 4.2Å; F137-V159 HydrophobicContact CZ-CB 4.15Å; F137-V159 HydrophobicContact CZ-CG2 3.91Å; F137-L161 HydrophobicContact CD2-CB 4.28Å; F137-L161 HydrophobicContact CE2-CB 4.28Å
138R91.2Very high93.1Very high151 Ų15129.2 Ų29.257%0.5716%0.158SC*.G310 helixtrans-62.6160.9175.8-65.6-178.5-179.7-178.1-0.7111E103 G140 V141E103-R138 HydrophobicContact CB-CG 4.04Å; E103-R138 PolarHBondContact O-N 2.87Å; E103-R138 IonicContact OE2-CZ 2.75Å; E103-R138 IonicContact OE2-NE 3.46Å; E103-R138 PolarHBondContact OE2-NE 3.48Å; E103-R138 VanDerWaalsContact OE2-NE 3.08Å; E103-R138 IonicContact OE2-NH2 3.75Å; E103-R138 PolarHBondContact OE2-NH2 3.24Å; R138-G140 PolarHBondContact O-N 3.25Å; R138-V141 WeakPolarHBondContact O-CG2 3.46Å; R138-V141 PolarHBondContact O-N 2.96Å; R138-V141 VanDerWaalsContact O-N 3.14Å
139T86.6Confident92.9Very high126 Ų12629.2 Ų29.277%0.77316%0.158SC*.G310 helixtrans56.824.5173.656.40000115.4V141T139-V141 VanDerWaalsContact C-N 3.26Å; T139-V141 PolarHBondContact O-N 2.87Å
140G84.8Confident92.8Very high32 Ų3229.6 Ų29.633%0.3316%0.16SC..G310 helixtrans71.321.5178.400000113.5R138 G712 S713R138-G140 PolarHBondContact O-N 3.25Å; G140-G712 CarbonylContact O-C 3.56Å; G140-S713 PolarHBondContact O-N 3.07Å
141V88.7Confident92.6Very high4 Ų429.8 Ų29.82%0.02416%0.161CC..BIsolated β-bridgetrans-71.6129.3179.3176.60000110.8F137 R138 T139 G143 K144 E710 I711F137-V141 HydrophobicContact CB-CB 4Å; F137-V141 HydrophobicContact CB-CG1 4.47Å; F137-V141 WeakPolarHBondContact CB-O 3.48Å; F137-V141 HydrophobicContact CD2-CG1 4.46Å; R138-V141 WeakPolarHBondContact O-CG2 3.46Å; R138-V141 PolarHBondContact O-N 2.96Å; R138-V141 VanDerWaalsContact O-N 3.14Å; T139-V141 VanDerWaalsContact C-N 3.26Å; T139-V141 PolarHBondContact O-N 2.87Å; V141-G143 VanDerWaalsContact CG1-O 3.23Å; V141-G143 WeakPolarHBondContact CG1-O 3.49Å; V141-K144 HydrophobicContact CG1-CG 3.98Å; V141-E710 HydrophobicContact CG2-CB 4.41Å; V141-I711 WeakPolarHBondContact CA-O 3.44Å
142V91.1Very high92.3Very high4 Ų429.8 Ų29.82%0.02416%0.161CC..  trans-104.4-14.7178.9-62.10000113.4L161 H163 T173 T204 I711V142-L161 WeakPolarHBondContact O-CB 3.35Å; V142-L161 PolarHBondContact O-N 3.1Å; V142-H163 HydrophobicContact CG1-CB 4.26Å; V142-T173 HydrophobicContact CG2-CG2 4.08Å; V142-T204 WeakPolarHBondContact CG2-OG1 3.37Å; V142-I711 HydrophobicContact CG2-CB 3.89Å; V142-I711 HydrophobicContact CG2-CD1 4.29Å; V142-I711 HydrophobicContact CG2-CG2 3.64Å
143G93.3Very high91.9Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-168.9159.517700000112.6V141 V159 E177V141-G143 VanDerWaalsContact CG1-O 3.23Å; V141-G143 WeakPolarHBondContact CG1-O 3.49Å; G143-V159 CarbonylContact C-O 3.59Å; G143-V159 WeakPolarHBondContact CA-O 3.27Å; G143-E177 VanDerWaalsContact C-CD 3.47Å; G143-E177 WeakPolarHBondContact CA-OE1 3.32Å
144K93.5Very high91.6Very high4 Ų432.1 Ų32.12%0.01717%0.172CC..EExtended strand (participates in β ladder)trans-148.1135.5171.7-71.9177.5172.1-80.40111.6G105 E106 L109 V141 A158 V159 E177 E710G105-K144 WeakPolarHBondContact O-CD 3.26Å; E106-K144 HydrophobicContact CG-CD 4.25Å; L109-K144 HydrophobicContact CD2-CB 4.02Å; V141-K144 HydrophobicContact CG1-CG 3.98Å; K144-A158 CarbonylContact O-C 3.58Å; K144-A158 VanDerWaalsContact O-CA 3.31Å; K144-A158 WeakPolarHBondContact O-CA 3.45Å; K144-V159 HydrophobicContact CB-CG2 4.02Å; K144-V159 PolarHBondContact N-O 3.42Å; K144-V159 PolarHBondContact O-N 3.37Å; K144-E177 WeakPolarHBondContact CA-OE2 3.16Å; K144-E177 VanDerWaalsContact N-CD 3.35Å; K144-E177 PolarHBondContact N-OE1 2.84Å; K144-E177 PolarHBondContact N-OE2 3.23Å; K144-E710 VanDerWaalsContact NZ-CD 3.3Å; K144-E710 IonicContact NZ-OE1 3.85Å; K144-E710 PolarHBondContact NZ-OE1 3.01Å
145G92Very high91.5Very high0 Ų030.7 Ų30.70%016%0.162CC..EExtended strand (participates in β ladder)trans-127.2157.5168.400000111.7E177G145-E177 PolarHBondContact N-OE2 2.95Å
146L90.1Very high91.6Very high2 Ų229 Ų291%0.0115%0.151CC..BIsolated β-bridgetrans-85135.7170.7-74.3174000110L109 T149 H180 N181 R706 Y708L109-L146 HydrophobicContact CD2-CD2 4.27Å; L109-L146 HydrophobicContact CD2-CG 3.9Å; L109-L146 HydrophobicContact CG-CG 4.43Å; L146-T149 HydrophobicContact CB-CG2 3.59Å; L146-T149 HydrophobicContact CD1-CG2 4.4Å; L146-T149 PolarHBondContact O-OG1 3.19Å; L146-H180 CarbonylContact O-C 3.56Å; L146-N181 PolarHBondContact N-ND2 2.9Å; L146-N181 WeakPolarHBondContact O-CA 3.44Å; L146-N181 PolarHBondContact O-N 2.77Å; L146-N181 PolarHBondContact O-ND2 3.33Å; L146-R706 HydrophobicContact CD2-CB 4.15Å; L146-Y708 HydrophobicContact CD2-CD1 3.66Å; L146-Y708 HydrophobicContact CD2-CE1 3.49Å; L146-Y708 VanDerWaalsContact CD2-CE1 3.49Å; L146-Y708 HydrophobicContact CD2-CG 4.37Å
147Q91Very high91.8Very high37 Ų3721.6 Ų21.617%0.17312%0.117CC..THydrogen-bonded Turntrans-73.4130.3-178-169.1-175.420.600112T149 H180 G183 V707Q147-T149 VanDerWaalsContact C-N 3.32Å; Q147-T149 PolarHBondContact O-N 2.67Å; Q147-H180 CarbonylContact C-O 3.57Å; Q147-H180 WeakPolarHBondContact CA-O 3.34Å; Q147-G183 PolarHBondContact NE2-O 3.28Å; Q147-V707 PolarHBondContact N-O 3.41Å
148G91.8Very high92Very high13 Ų1321 Ų2113%0.13411%0.114CC..THydrogen-bonded Turntrans65.834.6169.300000113.2H180 N181 S416G148-H180 PolarHBondContact N-O 2.81Å; G148-N181 CarbonylContact C-O 3.58Å; G148-N181 WeakPolarHBondContact CA-O 3.32Å; G148-N181 PolarHBondContact N-O 2.89Å; G148-S416 VanDerWaalsContact O-CB 3.26Å; G148-S416 WeakPolarHBondContact O-CB 3.48Å; G148-S416 PolarHBondContact O-OG 2.86Å
149T93.9Very high92.3Very high0 Ų013.8 Ų13.80%09%0.087CC..  trans-110.39.1-179610000113.4L146 Q147 S152 S155 S156 N181 T419L146-T149 HydrophobicContact CB-CG2 3.59Å; L146-T149 HydrophobicContact CD1-CG2 4.4Å; L146-T149 PolarHBondContact O-OG1 3.19Å; Q147-T149 VanDerWaalsContact C-N 3.32Å; Q147-T149 PolarHBondContact O-N 2.67Å; T149-S152 WeakPolarHBondContact O-CB 2.96Å; T149-S152 PolarHBondContact O-N 3.36Å; T149-S155 WeakPolarHBondContact CB-O 3.39Å; T149-S155 WeakPolarHBondContact CB-OG 3.44Å; T149-S155 VanDerWaalsContact CG2-OG 3.25Å; T149-S155 WeakPolarHBondContact CG2-OG 3.28Å; T149-S155 PolarHBondContact OG1-O 2.93Å; T149-S156 VanDerWaalsContact O-CA 3.26Å; T149-S156 WeakPolarHBondContact O-CA 3.48Å; T149-S156 WeakPolarHBondContact O-CB 3.29Å; T149-S156 PolarHBondContact O-N 2.8Å; T149-N181 PolarHBondContact N-O 3.14Å; T149-N181 PolarHBondContact OG1-ND2 3.43Å; T149-T419 HydrophobicContact CG2-CG2 4.21Å
150I95.1Very high92.8Very high9 Ų97.8 Ų7.85%0.0465%0.05CC..THydrogen-bonded Turntrans-52.5143.6172.5-161.566.1000110.4L42 V128 S152 N181 F182 G228L42-I150 HydrophobicContact CD1-CD1 3.53Å; L42-I150 HydrophobicContact CD1-CG1 4.35Å; V128-I150 HydrophobicContact CB-CD1 4.2Å; I150-S152 PolarHBondContact O-N 3.41Å; I150-N181 HydrophobicContact CB-CB 4.42Å; I150-N181 WeakPolarHBondContact CB-O 3.42Å; I150-N181 HydrophobicContact CD1-CB 4.37Å; I150-N181 PolarHBondContact N-O 3.41Å; I150-F182 HydrophobicContact CB-CD1 4.37Å; I150-F182 HydrophobicContact CD1-CE2 4.42Å; I150-F182 HydrophobicContact CD1-CZ 4.28Å; I150-F182 HydrophobicContact CG1-CD1 4.18Å; I150-F182 HydrophobicContact CG1-CE1 3.93Å; I150-F182 HydrophobicContact CG1-CZ 4.15Å; I150-F182 HydrophobicContact CG2-CD1 4.13Å; I150-F182 HydrophobicContact CG2-CE1 4.48Å; I150-G228 WeakPolarHBondContact CG2-O 3.46Å
151C92.8Very high93.3Very high4 Ų47.3 Ų7.33%0.0274%0.04CC..THydrogen-bonded Turntrans66-16-172.2-510000116.7A153 C231 I443 G444C151-A153 PolarHBondContact O-N 3.03Å; C151-C231 WeakPolarHBondContact CA-SG 3.12Å; C151-C231 HydrophobicContact CB-CB 3.62Å; C151-C231 WeakPolarHBondContact CB-SG 3.49Å; C151-C231 WeakPolarHBondContact SG-CB 3.27Å; C151-C231 PolarHBondContact SG-N 2.94Å; C151-C231 CovalentContact SG-SG 2.04Å; C151-C231 PolarHBondContact SG-SG 3.28Å; C151-I443 CarbonylContact O-C 3.47Å; C151-G444 VanDerWaalsContact O-CA 3.23Å; C151-G444 WeakPolarHBondContact O-CA 3.45Å; C151-G444 PolarHBondContact O-N 2.98Å
152S93Very high93.6Very high0 Ų07.3 Ų7.30%04%0.04CC..  trans-60.6127.4177.91630000111.2R116 T149 I150 K154 S155 S156 D442R116-S152 PolarHBondContact NH1-O 3.05Å; T149-S152 WeakPolarHBondContact O-CB 2.96Å; T149-S152 PolarHBondContact O-N 3.36Å; I150-S152 PolarHBondContact O-N 3.41Å; S152-K154 PolarHBondContact O-N 3.02Å; S152-K154 PolarHBondContact OG-N 3.32Å; S152-S155 VanDerWaalsContact CB-OG 3.31Å; S152-S155 WeakPolarHBondContact CB-OG 3.42Å; S152-S155 PolarHBondContact OG-N 3.37Å; S152-S155 PolarHBondContact OG-OG 3.48Å; S152-S156 WeakPolarHBondContact O-CB 3.41Å; S152-S156 PolarHBondContact O-N 3.46Å; S152-D442 WeakPolarHBondContact CB-OD2 3.5Å; S152-D442 PolarHBondContact OG-OD2 3.3Å
153A89.8Confident93.6Very high3 Ų310.4 Ų10.43%0.0255%0.054CC..THydrogen-bonded Turntrans-62.3-35.6174.800000111.4R116 H117 L121 C151 D442R116-A153 PolarHBondContact NH1-O 3.24Å; H117-A153 PolarHBondContact ND1-O 3.27Å; L121-A153 HydrophobicContact CD1-CB 4.48Å; C151-A153 PolarHBondContact O-N 3.03Å; A153-D442 PolarHBondContact N-OD1 3.46Å; A153-D442 PolarHBondContact N-OD2 3.48Å
154K90.3Very high93.3Very high45 Ų4512.1 Ų12.120%0.1967%0.066CC..THydrogen-bonded Turntrans-88.8-25.4-174-66.5178.4177.8178.90115.1S152 D388 D442S152-K154 PolarHBondContact O-N 3.02Å; S152-K154 PolarHBondContact OG-N 3.32Å; K154-D388 WeakPolarHBondContact CE-OD1 3.32Å; K154-D388 IonicContact NZ-OD1 3.8Å; K154-D388 PolarHBondContact NZ-OD1 2.78Å; K154-D388 IonicContact NZ-OD2 2.78Å; K154-D442 PolarHBondContact N-OD2 3.18Å
155S92.3Very high93Very high7 Ų719.4 Ų19.45%0.04910%0.1CC..THydrogen-bonded Turntrans-140.3-2.5-161.566.30000115.8T149 S152 G157T149-S155 WeakPolarHBondContact CB-O 3.39Å; T149-S155 WeakPolarHBondContact CB-OG 3.44Å; T149-S155 VanDerWaalsContact CG2-OG 3.25Å; T149-S155 WeakPolarHBondContact CG2-OG 3.28Å; T149-S155 PolarHBondContact OG1-O 2.93Å; S152-S155 VanDerWaalsContact CB-OG 3.31Å; S152-S155 WeakPolarHBondContact CB-OG 3.42Å; S152-S155 PolarHBondContact OG-N 3.37Å; S152-S155 PolarHBondContact OG-OG 3.48Å; S155-G157 PolarHBondContact O-N 2.57Å; S155-G157 VanDerWaalsContact O-N 3.15Å
156S95.7Very high92.8Very high0 Ų022.7 Ų22.70%012%0.117CC..  trans-70.1107.2170.8-169.20000109.9R116 D127 T149 S152R116-S156 WeakPolarHBondContact CD-O 3.19Å; R116-S156 VanDerWaalsContact CZ-O 3.28Å; R116-S156 PolarHBondContact NE-O 3.11Å; R116-S156 PolarHBondContact NH1-O 3.07Å; R116-S156 VanDerWaalsContact NH1-O 3.15Å; D127-S156 WeakPolarHBondContact O-CB 3.43Å; D127-S156 PolarHBondContact O-OG 2.88Å; T149-S156 VanDerWaalsContact O-CA 3.26Å; T149-S156 WeakPolarHBondContact O-CA 3.48Å; T149-S156 WeakPolarHBondContact O-CB 3.29Å; T149-S156 PolarHBondContact O-N 2.8Å; S152-S156 WeakPolarHBondContact O-CB 3.41Å; S152-S156 PolarHBondContact O-N 3.46Å
157G96.8Very high92.8Very high0 Ų023.3 Ų23.30%012%0.121CC..EExtended strand (participates in β ladder)trans167.8170.2175.900000114.3A129 S155 N181A129-G157 CarbonylContact O-C 3.57Å; A129-G157 WeakPolarHBondContact O-CA 3.14Å; S155-G157 PolarHBondContact O-N 2.57Å; S155-G157 VanDerWaalsContact O-N 3.15Å; G157-N181 PolarHBondContact O-ND2 3.45Å; G157-N181 PolarHBondContact O-OD1 3.43Å
158A97.8Very high92.7Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-145.8158.8-177.900000112.4F112 A129 V130 L131 K144 E177F112-A158 WeakPolarHBondContact CD1-O 3.4Å; F112-A158 WeakPolarHBondContact CE1-O 3.34Å; A129-A158 PolarHBondContact O-N 3.38Å; V130-A158 WeakPolarHBondContact CA-O 3.1Å; V130-A158 HydrophobicContact CG2-CB 4.37Å; L131-A158 PolarHBondContact N-O 2.9Å; K144-A158 CarbonylContact O-C 3.58Å; K144-A158 VanDerWaalsContact O-CA 3.31Å; K144-A158 WeakPolarHBondContact O-CA 3.45Å; A158-E177 HydrophobicContact CB-CB 3.42Å; A158-E177 VanDerWaalsContact CB-CB 3.42Å; A158-E177 HydrophobicContact CB-CG 4.12Å
159V97.7Very high92.6Very high0 Ų023.1 Ų23.10%012%0.118CC..EExtended strand (participates in β ladder)trans-120.4135.1170.7-59.10000109L109 F112 L131 F137 G143 K144L109-V159 HydrophobicContact CB-CG1 4.2Å; L109-V159 HydrophobicContact CB-CG2 4.04Å; L109-V159 HydrophobicContact CD1-CG1 4.07Å; F112-V159 HydrophobicContact CB-CG1 3.89Å; F112-V159 HydrophobicContact CD1-CG1 3.94Å; F112-V159 HydrophobicContact CG-CG1 4.19Å; L131-V159 HydrophobicContact CB-CB 4.42Å; L131-V159 HydrophobicContact CB-CG1 4.01Å; L131-V159 HydrophobicContact CD2-CB 4.46Å; L131-V159 HydrophobicContact CD2-CG1 3.92Å; L131-V159 CarbonylContact O-C 3.56Å; L131-V159 WeakPolarHBondContact O-CA 3.46Å; F137-V159 HydrophobicContact CE2-CG2 4.2Å; F137-V159 HydrophobicContact CZ-CB 4.15Å; F137-V159 HydrophobicContact CZ-CG2 3.91Å; G143-V159 CarbonylContact C-O 3.59Å; G143-V159 WeakPolarHBondContact CA-O 3.27Å; K144-V159 HydrophobicContact CB-CG2 4.02Å; K144-V159 PolarHBondContact N-O 3.42Å; K144-V159 PolarHBondContact O-N 3.37Å
160V96.8Very high92.5Very high0 Ų023.1 Ų23.10%012%0.118CC..EExtended strand (participates in β ladder)trans-134.3131.8-176.2174.20000110V130 L131 I132 T133 I170 T173 I174 E177V130-V160 HydrophobicContact CG1-CG2 4.15Å; L131-V160 PolarHBondContact O-N 2.65Å; I132-V160 WeakPolarHBondContact CA-O 3.26Å; T133-V160 PolarHBondContact N-O 3.08Å; V160-I170 HydrophobicContact CG1-CG2 4.39Å; V160-T173 HydrophobicContact CG1-CG2 3.79Å; V160-T173 HydrophobicContact CG2-CG2 4.25Å; V160-I174 HydrophobicContact CB-CG1 4.25Å; V160-I174 HydrophobicContact CG1-CG1 4.17Å; V160-I174 HydrophobicContact CG2-CG1 3.84Å; V160-E177 HydrophobicContact CG2-CG 3.78Å
161L95.6Very high92.5Very high21 Ų2122.7 Ų22.711%0.1112%0.116CC..EExtended strand (participates in β ladder)trans-78131.5169.9175.162000109.5T133 T135 F137 V142 H163T133-L161 CarbonylContact O-C 3.57Å; T133-L161 WeakPolarHBondContact O-CA 3.5Å; T135-L161 WeakPolarHBondContact O-CD1 3.38Å; F137-L161 HydrophobicContact CD2-CB 4.28Å; F137-L161 HydrophobicContact CE2-CB 4.28Å; V142-L161 WeakPolarHBondContact O-CB 3.35Å; V142-L161 PolarHBondContact O-N 3.1Å; L161-H163 HydrophobicContact CD2-CB 4.18Å; L161-H163 HydrophobicContact CG-CB 4.1Å; L161-H163 PolarHBondContact O-CD2 3.4Å; L161-H163 PolarHBondContact O-N 3.17Å
162D94.7Very high92.5Very high5 Ų523.4 Ų23.43%0.02712%0.12CC..  trans-7670.1171.5-168.747.8000111.3M52 K55 Y56 R66 I132 T133M52-D162 HydrophobicContact CE-CB 3.82Å; M52-D162 WeakPolarHBondContact CE-OD2 3.34Å; M52-D162 HydrophobicContact SD-CB 3.46Å; M52-D162 WeakPolarHBondContact SD-CB 3.06Å; K55-D162 WeakPolarHBondContact CE-OD2 3.39Å; K55-D162 PolarHBondContact NZ-O 3.33Å; K55-D162 IonicContact NZ-OD2 2.91Å; K55-D162 PolarHBondContact NZ-OD2 3.29Å; Y56-D162 WeakPolarHBondContact CE2-OD2 3.47Å; Y56-D162 PolarHBondContact OH-OD2 2.77Å; R66-D162 IonicContact CZ-OD1 3.61Å; R66-D162 IonicContact NE-OD1 2.57Å; R66-D162 PolarHBondContact NE-OD1 3.25Å; R66-D162 IonicContact NH2-OD1 3.51Å; R66-D162 PolarHBondContact NH2-OD1 3.15Å; R66-D162 IonicContact NH2-OD2 3.89Å; I132-D162 HydrophobicContact CG2-CB 3.99Å; T133-D162 WeakPolarHBondContact O-CB 3.4Å; T133-D162 PolarHBondContact O-N 3.12Å
163H90.8Very high92.5Very high69 Ų6923.5 Ų23.532%0.31912%0.121SC..  trans-82-10-169.364.582.3000115.1V142 L161 T173V142-H163 HydrophobicContact CG1-CB 4.26Å; L161-H163 HydrophobicContact CD2-CB 4.18Å; L161-H163 HydrophobicContact CG-CB 4.1Å; L161-H163 PolarHBondContact O-CD2 3.4Å; L161-H163 PolarHBondContact O-N 3.17Å; H163-T173 PolarHBondContact NE2-OG1 2.89Å
164S88.6Confident92.8Very high36 Ų3623.3 Ų23.325%0.25212%0.119SC..  trans-142.8148-177.5-1760000112.2R66 D166R66-S164 PolarHBondContact NH2-O 3.42Å; R66-S164 VanDerWaalsContact NH2-O 3.16Å; S164-D166 WeakPolarHBondContact OG-CB 3.48Å; S164-D166 PolarHBondContact OG-N 3.23Å
165H86Confident93.1Very high157 Ų15721.2 Ų21.273%0.72711%0.11SC*.SBendtrans-72.3-22.6168.4-68.7-69.9000112.3V167H165-V167 PolarHBondContact O-N 3.29Å
166D88.3Confident93.3Very high68 Ų6820.9 Ų20.936%0.36411%0.108SC..  trans-71.8111.7173.3-1765000109.9S164 Y168 A169S164-D166 WeakPolarHBondContact OG-CB 3.48Å; S164-D166 PolarHBondContact OG-N 3.23Å; D166-Y168 PolarHBondContact O-N 3.34Å; D166-Y168 VanDerWaalsContact OD1-CB 3.26Å; D166-Y168 WeakPolarHBondContact OD1-CB 3.17Å; D166-Y168 PolarHBondContact OD1-N 2.98Å; D166-A169 HydrophobicContact CB-CB 4.41Å; D166-A169 PolarHBondContact O-N 3.39Å
167V89.9Confident93.3Very high15 Ų1520.9 Ų20.99%0.09111%0.108CC..Hα-helixtrans-58.1-31.3179.6-171.70000111Q69 V70 L73 H165 I170 A171Q69-V167 HydrophobicContact CB-CG1 3.95Å; V70-V167 HydrophobicContact CB-CG1 4.44Å; V70-V167 HydrophobicContact CG2-CG1 3.54Å; L73-V167 HydrophobicContact CD1-CB 4.21Å; L73-V167 HydrophobicContact CD1-CG1 3.88Å; H165-V167 PolarHBondContact O-N 3.29Å; V167-I170 PolarHBondContact O-N 3.24Å; V167-A171 WeakPolarHBondContact O-CB 3.13Å; V167-A171 PolarHBondContact O-N 2.89Å
168Y88.4Confident93.3Very high32 Ų3220.9 Ų20.913%0.12511%0.108CC..Hα-helixtrans-63.4-44179.7-163.9-94.6000112.3L73 D166 I170 A171 T172 H208 I210L73-Y168 HydrophobicContact CD1-CD2 4.32Å; L73-Y168 HydrophobicContact CD2-CD2 3.96Å; L73-Y168 HydrophobicContact CD2-CE2 4.34Å; D166-Y168 PolarHBondContact O-N 3.34Å; D166-Y168 VanDerWaalsContact OD1-CB 3.26Å; D166-Y168 WeakPolarHBondContact OD1-CB 3.17Å; D166-Y168 PolarHBondContact OD1-N 2.98Å; Y168-I170 VanDerWaalsContact C-N 3.25Å; Y168-I170 PolarHBondContact O-N 3.47Å; Y168-A171 PolarHBondContact O-N 3.15Å; Y168-A171 VanDerWaalsContact O-N 3.17Å; Y168-T172 PolarHBondContact O-N 2.96Å; Y168-T172 PolarHBondContact O-OG1 3.15Å; Y168-T172 VanDerWaalsContact O-OG1 3.08Å; Y168-H208 HydrophobicContact CE1-CB 4.37Å; Y168-I210 HydrophobicContact CE1-CG2 4.2Å; Y168-I210 HydrophobicContact CE2-CG2 4.47Å; Y168-I210 WeakPolarHBondContact OH-CG2 3.22Å
169A90Very high93.3Very high15 Ų1520.9 Ų20.912%0.12411%0.108CC..Hα-helixtrans-61.4-36.1177.500000112.1D166 T173D166-A169 HydrophobicContact CB-CB 4.41Å; D166-A169 PolarHBondContact O-N 3.39Å; A169-T173 PolarHBondContact O-N 3.05Å; A169-T173 PolarHBondContact O-OG1 3.07Å
170I92.6Very high93.2Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-70.3-44.7175-54-51.3000110.7V70 V160 V167 Y168 T172 T173 I174V70-I170 HydrophobicContact CG2-CG2 4.4Å; V160-I170 HydrophobicContact CG1-CG2 4.39Å; V167-I170 PolarHBondContact O-N 3.24Å; Y168-I170 VanDerWaalsContact C-N 3.25Å; Y168-I170 PolarHBondContact O-N 3.47Å; I170-T172 PolarHBondContact O-N 3.18Å; I170-T173 WeakPolarHBondContact O-CB 3.5Å; I170-T173 PolarHBondContact O-N 3.27Å; I170-T173 VanDerWaalsContact O-N 3.14Å; I170-I174 HydrophobicContact CG2-CD1 3.88Å; I170-I174 HydrophobicContact CG2-CG1 4.45Å; I170-I174 WeakPolarHBondContact O-CG1 3.34Å; I170-I174 PolarHBondContact O-N 3.18Å
171A94Very high93.2Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-60.4-42.2177.400000112.4L73 V74 V167 Y168 T173 I174 A175L73-A171 HydrophobicContact CB-CB 3.53Å; L73-A171 HydrophobicContact CD1-CB 4.23Å; V74-A171 HydrophobicContact CG2-CB 4.03Å; V167-A171 WeakPolarHBondContact O-CB 3.13Å; V167-A171 PolarHBondContact O-N 2.89Å; Y168-A171 PolarHBondContact O-N 3.15Å; Y168-A171 VanDerWaalsContact O-N 3.17Å; A171-T173 VanDerWaalsContact C-N 3.33Å; A171-T173 PolarHBondContact O-N 3.48Å; A171-I174 PolarHBondContact O-N 3.49Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.02Å
172T92.9Very high93.2Very high18 Ų1819.9 Ų19.911%0.1110%0.103CC..Hα-helixtrans-63.4-38.8174.2-51.70000111.9Y168 I170 A175 H176Y168-T172 PolarHBondContact O-N 2.96Å; Y168-T172 PolarHBondContact O-OG1 3.15Å; Y168-T172 VanDerWaalsContact O-OG1 3.08Å; I170-T172 PolarHBondContact O-N 3.18Å; T172-A175 PolarHBondContact O-N 3.42Å; T172-H176 WeakPolarHBondContact O-CB 3.42Å; T172-H176 PolarHBondContact O-N 3.21Å
173T93.7Very high93.2Very high2 Ų220.2 Ų20.21%0.01211%0.107CC..Hα-helixtrans-64.8-44.1175.8-50.80000110.4V142 V160 H163 A169 I170 A171 A175 H176 E177 I711V142-T173 HydrophobicContact CG2-CG2 4.08Å; V160-T173 HydrophobicContact CG1-CG2 3.79Å; V160-T173 HydrophobicContact CG2-CG2 4.25Å; H163-T173 PolarHBondContact NE2-OG1 2.89Å; A169-T173 PolarHBondContact O-N 3.05Å; A169-T173 PolarHBondContact O-OG1 3.07Å; I170-T173 WeakPolarHBondContact O-CB 3.5Å; I170-T173 PolarHBondContact O-N 3.27Å; I170-T173 VanDerWaalsContact O-N 3.14Å; A171-T173 VanDerWaalsContact C-N 3.33Å; A171-T173 PolarHBondContact O-N 3.48Å; T173-A175 PolarHBondContact O-N 3.49Å; T173-H176 WeakPolarHBondContact O-CB 3.49Å; T173-H176 PolarHBondContact O-N 3.25Å; T173-E177 WeakPolarHBondContact O-CG 3.46Å; T173-E177 PolarHBondContact O-N 3.41Å; T173-I711 HydrophobicContact CG2-CD1 4.39Å
174I96.4Very high93.4Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-63-43.5176.6-68.8170.3000111.3V70 V74 V130 I132 V160 I170 A171 H176 E177 I178V70-I174 HydrophobicContact CG1-CD1 3.35Å; V74-I174 HydrophobicContact CG2-CB 4.04Å; V74-I174 HydrophobicContact CG2-CG2 3.78Å; V130-I174 HydrophobicContact CG1-CD1 4.26Å; V130-I174 HydrophobicContact CG1-CG1 4.03Å; V130-I174 HydrophobicContact CG1-CG2 4.35Å; V130-I174 HydrophobicContact CG2-CG2 4.08Å; I132-I174 HydrophobicContact CD1-CD1 3.78Å; I132-I174 HydrophobicContact CG1-CD1 4.22Å; V160-I174 HydrophobicContact CB-CG1 4.25Å; V160-I174 HydrophobicContact CG1-CG1 4.17Å; V160-I174 HydrophobicContact CG2-CG1 3.84Å; I170-I174 HydrophobicContact CG2-CD1 3.88Å; I170-I174 HydrophobicContact CG2-CG1 4.45Å; I170-I174 WeakPolarHBondContact O-CG1 3.34Å; I170-I174 PolarHBondContact O-N 3.18Å; A171-I174 PolarHBondContact O-N 3.49Å; I174-H176 VanDerWaalsContact C-N 3.3Å; I174-H176 PolarHBondContact O-N 3.42Å; I174-E177 PolarHBondContact O-N 3.08Å; I174-I178 HydrophobicContact CG2-CD1 3.7Å; I174-I178 HydrophobicContact CG2-CG1 4.28Å; I174-I178 WeakPolarHBondContact O-CB 3.48Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 2.84Å
175A96.3Very high93.7Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-61.7-39.2176.700000111.9I77 F78 A171 T172 T173 I178 G179I77-A175 HydrophobicContact CB-CB 4.27Å; I77-A175 HydrophobicContact CD1-CB 3.93Å; I77-A175 HydrophobicContact CG2-CB 3.73Å; F78-A175 HydrophobicContact CE2-CB 3.86Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.02Å; T172-A175 PolarHBondContact O-N 3.42Å; T173-A175 PolarHBondContact O-N 3.49Å; A175-I178 PolarHBondContact O-N 2.81Å; A175-G179 PolarHBondContact O-N 2.65Å
176H95.4Very high94Very high1 Ų113.9 Ų13.91%0.0058%0.075CC..Hα-helixtrans-58.7-49.8172.1-176.3117.5000111.8T172 T173 I174 I178 G179 H180 H186 I199 A201 I711T172-H176 WeakPolarHBondContact O-CB 3.42Å; T172-H176 PolarHBondContact O-N 3.21Å; T173-H176 WeakPolarHBondContact O-CB 3.49Å; T173-H176 PolarHBondContact O-N 3.25Å; I174-H176 VanDerWaalsContact C-N 3.3Å; I174-H176 PolarHBondContact O-N 3.42Å; H176-I178 PolarHBondContact O-N 3.09Å; H176-G179 CarbonylContact O-C 3.48Å; H176-G179 WeakPolarHBondContact O-CA 3.37Å; H176-G179 PolarHBondContact O-N 2.88Å; H176-H180 AromaticContact CD2-CD2 3.63Å; H176-H180 AromaticContact CD2-NE2 3.54Å; H176-H180 AromaticContact NE2-CD2 3.74Å; H176-H180 AromaticContact NE2-CE1 3.89Å; H176-H180 AromaticContact NE2-NE2 3.11Å; H176-H180 PolarHBondContact NE2-NE2 3.48Å; H176-H180 VanDerWaalsContact NE2-NE2 3.11Å; H176-H180 PolarHBondContact O-N 2.84Å; H176-H186 AromaticContact CE1-CD2 3.69Å; H176-H186 AromaticContact CE1-NE2 3.94Å; H176-H186 AromaticContact NE2-CD2 3.55Å; H176-H186 AromaticContact NE2-NE2 3.46Å; H176-H186 PolarHBondContact NE2-NE2 2.71Å; H176-I199 HydrophobicContact CB-CG2 4.14Å; H176-I199 PolarHBondContact ND1-O 2.95Å; H176-A201 PolarHBondContact CE1-O 3.43Å; H176-I711 HydrophobicContact CB-CD1 4.3Å; H176-I711 VanDerWaalsContact CD2-CD1 3.4Å; H176-I711 WeakPolarHBondContact CD2-CD1 3.25Å
177E96.7Very high94.3Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-67.2-37.4-178.8-57.1-48.7156.300112.9G143 K144 G145 A158 V160 T173 I174 G179 H180 N181 I711G143-E177 VanDerWaalsContact C-CD 3.47Å; G143-E177 WeakPolarHBondContact CA-OE1 3.32Å; K144-E177 WeakPolarHBondContact CA-OE2 3.16Å; K144-E177 VanDerWaalsContact N-CD 3.35Å; K144-E177 PolarHBondContact N-OE1 2.84Å; K144-E177 PolarHBondContact N-OE2 3.23Å; G145-E177 PolarHBondContact N-OE2 2.95Å; A158-E177 HydrophobicContact CB-CB 3.42Å; A158-E177 VanDerWaalsContact CB-CB 3.42Å; A158-E177 HydrophobicContact CB-CG 4.12Å; V160-E177 HydrophobicContact CG2-CG 3.78Å; T173-E177 WeakPolarHBondContact O-CG 3.46Å; T173-E177 PolarHBondContact O-N 3.41Å; I174-E177 PolarHBondContact O-N 3.08Å; E177-G179 VanDerWaalsContact C-N 3.27Å; E177-G179 PolarHBondContact O-N 3.38Å; E177-H180 WeakPolarHBondContact O-CB 3.46Å; E177-H180 PolarHBondContact O-N 3.31Å; E177-H180 IonicContact OE2-CD2 3.97Å; E177-N181 PolarHBondContact O-N 2.97Å; E177-N181 VanDerWaalsContact O-N 3.07Å; E177-I711 WeakPolarHBondContact OE1-CD1 3.28Å
178I97.7Very high94.3Very high0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-65-36.2171.7-67.2173.6000109.8L42 L44 V74 F78 V130 I174 A175 H176 H180 N181 F182L42-I178 HydrophobicContact CD2-CG2 3.8Å; L44-I178 HydrophobicContact CD1-CD1 4.27Å; V74-I178 HydrophobicContact CG1-CD1 4.18Å; F78-I178 HydrophobicContact CE1-CG2 4.23Å; F78-I178 HydrophobicContact CE2-CB 4.2Å; F78-I178 HydrophobicContact CE2-CG2 3.98Å; F78-I178 HydrophobicContact CZ-CB 3.9Å; F78-I178 HydrophobicContact CZ-CG2 3.49Å; F78-I178 VanDerWaalsContact CZ-CG2 3.49Å; V130-I178 HydrophobicContact CG2-CD1 4.35Å; V130-I178 HydrophobicContact CG2-CG1 4.36Å; I174-I178 HydrophobicContact CG2-CD1 3.7Å; I174-I178 HydrophobicContact CG2-CG1 4.28Å; I174-I178 WeakPolarHBondContact O-CB 3.48Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 2.84Å; A175-I178 PolarHBondContact O-N 2.81Å; H176-I178 PolarHBondContact O-N 3.09Å; I178-H180 VanDerWaalsContact C-N 3.29Å; I178-H180 PolarHBondContact O-N 2.91Å; I178-N181 CarbonylContact O-C 3.52Å; I178-N181 WeakPolarHBondContact O-CA 3.47Å; I178-N181 WeakPolarHBondContact O-CB 3.41Å; I178-N181 PolarHBondContact O-N 2.9Å; I178-F182 HydrophobicContact CG2-CD2 3.77Å; I178-F182 HydrophobicContact CG2-CE2 3.6Å; I178-F182 VanDerWaalsContact O-CD2 3.29Å; I178-F182 WeakPolarHBondContact O-CD2 3.4Å; I178-F182 PolarHBondContact O-N 3.34Å
179G97Very high94.2Very high0 Ų023.9 Ų23.90%012%0.123CC..Hα-helixtrans-55.8-42.4170.700000112.4A175 H176 E177 F182 G183 M184A175-G179 PolarHBondContact O-N 2.65Å; H176-G179 CarbonylContact O-C 3.48Å; H176-G179 WeakPolarHBondContact O-CA 3.37Å; H176-G179 PolarHBondContact O-N 2.88Å; E177-G179 VanDerWaalsContact C-N 3.27Å; E177-G179 PolarHBondContact O-N 3.38Å; G179-F182 CarbonylContact O-C 3.58Å; G179-F182 WeakPolarHBondContact O-CA 2.87Å; G179-F182 WeakPolarHBondContact O-CB 3.37Å; G179-F182 PolarHBondContact O-N 3.44Å; G179-G183 PolarHBondContact O-N 2.96Å; G179-M184 VanDerWaalsContact CA-SD 3.56Å; G179-M184 VanDerWaalsContact O-CB 3.23Å; G179-M184 WeakPolarHBondContact O-CB 3.44Å; G179-M184 VanDerWaalsContact O-CG 3.27Å; G179-M184 WeakPolarHBondContact O-CG 3.44Å; G179-M184 PolarHBondContact O-N 3.21Å
180H96Very high94.3Very high0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-61.3-44169.7-74.7-43.9000112.4L146 Q147 G148 H176 E177 I178 F182 G183 M184 H186 M200 C709L146-H180 CarbonylContact O-C 3.56Å; Q147-H180 CarbonylContact C-O 3.57Å; Q147-H180 WeakPolarHBondContact CA-O 3.34Å; G148-H180 PolarHBondContact N-O 2.81Å; H176-H180 AromaticContact CD2-CD2 3.63Å; H176-H180 AromaticContact CD2-NE2 3.54Å; H176-H180 AromaticContact NE2-CD2 3.74Å; H176-H180 AromaticContact NE2-CE1 3.89Å; H176-H180 AromaticContact NE2-NE2 3.11Å; H176-H180 PolarHBondContact NE2-NE2 3.48Å; H176-H180 VanDerWaalsContact NE2-NE2 3.11Å; H176-H180 PolarHBondContact O-N 2.84Å; E177-H180 WeakPolarHBondContact O-CB 3.46Å; E177-H180 PolarHBondContact O-N 3.31Å; E177-H180 IonicContact OE2-CD2 3.97Å; I178-H180 VanDerWaalsContact C-N 3.29Å; I178-H180 PolarHBondContact O-N 2.91Å; H180-F182 PolarHBondContact O-N 2.95Å; H180-G183 WeakPolarHBondContact O-CA 3.32Å; H180-G183 PolarHBondContact O-N 3.26Å; H180-M184 PolarHBondContact ND1-O 2.79Å; H180-H186 AromaticContact CE1-CD2 3.58Å; H180-H186 AromaticContact CE1-NE2 3.59Å; H180-H186 AromaticContact NE2-CD2 3.67Å; H180-H186 AromaticContact NE2-NE2 3.29Å; H180-H186 PolarHBondContact NE2-NE2 2.82Å; H180-M200 WeakPolarHBondContact CE1-CE 3.33Å; H180-M200 WeakPolarHBondContact ND1-CE 3.42Å; H180-C709 WeakPolarHBondContact CE1-CB 3.25Å; H180-C709 WeakPolarHBondContact NE2-CB 3.49Å
181N96.7Very high94.3Very high0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-58.3-36.3174.6-62151.4000111.9V128 L146 G148 T149 I150 G157 E177 I178 G183V128-N181 WeakPolarHBondContact CG2-OD1 3.02Å; L146-N181 PolarHBondContact N-ND2 2.9Å; L146-N181 WeakPolarHBondContact O-CA 3.44Å; L146-N181 PolarHBondContact O-N 2.77Å; L146-N181 PolarHBondContact O-ND2 3.33Å; G148-N181 CarbonylContact C-O 3.58Å; G148-N181 WeakPolarHBondContact CA-O 3.32Å; G148-N181 PolarHBondContact N-O 2.89Å; T149-N181 PolarHBondContact N-O 3.14Å; T149-N181 PolarHBondContact OG1-ND2 3.43Å; I150-N181 HydrophobicContact CB-CB 4.42Å; I150-N181 WeakPolarHBondContact CB-O 3.42Å; I150-N181 HydrophobicContact CD1-CB 4.37Å; I150-N181 PolarHBondContact N-O 3.41Å; G157-N181 PolarHBondContact O-ND2 3.45Å; G157-N181 PolarHBondContact O-OD1 3.43Å; E177-N181 PolarHBondContact O-N 2.97Å; E177-N181 VanDerWaalsContact O-N 3.07Å; I178-N181 CarbonylContact O-C 3.52Å; I178-N181 WeakPolarHBondContact O-CA 3.47Å; I178-N181 WeakPolarHBondContact O-CB 3.41Å; I178-N181 PolarHBondContact O-N 2.9Å; N181-G183 PolarHBondContact O-N 3.02Å
182F96.3Very high94.3Very high0 Ų038.8 Ų38.80%019%0.189CC..THydrogen-bonded Turntrans-68.7-5.4170.3-81.7-70000114.6L42 F78 I83 I150 I178 G179 H180 M184 L220 S223 L224 L232L42-F182 HydrophobicContact CD1-CZ 4.46Å; L42-F182 HydrophobicContact CD2-CE2 4.11Å; L42-F182 HydrophobicContact CD2-CZ 4.33Å; F78-F182 HydrophobicContact CD1-CE2 4.34Å; F78-F182 AromaticContact CE1-CD2 3.87Å; F78-F182 HydrophobicContact CE1-CD2 3.87Å; F78-F182 AromaticContact CE1-CE2 3.68Å; F78-F182 HydrophobicContact CE1-CE2 3.68Å; F78-F182 HydrophobicContact CZ-CD2 4.34Å; F78-F182 HydrophobicContact CZ-CE2 4.22Å; I83-F182 HydrophobicContact CD1-CE1 4.13Å; I83-F182 HydrophobicContact CD1-CE2 4.42Å; I83-F182 HydrophobicContact CD1-CZ 3.92Å; I83-F182 HydrophobicContact CG2-CZ 4.27Å; I150-F182 HydrophobicContact CB-CD1 4.37Å; I150-F182 HydrophobicContact CD1-CE2 4.42Å; I150-F182 HydrophobicContact CD1-CZ 4.28Å; I150-F182 HydrophobicContact CG1-CD1 4.18Å; I150-F182 HydrophobicContact CG1-CE1 3.93Å; I150-F182 HydrophobicContact CG1-CZ 4.15Å; I150-F182 HydrophobicContact CG2-CD1 4.13Å; I150-F182 HydrophobicContact CG2-CE1 4.48Å; I178-F182 HydrophobicContact CG2-CD2 3.77Å; I178-F182 HydrophobicContact CG2-CE2 3.6Å; I178-F182 VanDerWaalsContact O-CD2 3.29Å; I178-F182 WeakPolarHBondContact O-CD2 3.4Å; I178-F182 PolarHBondContact O-N 3.34Å; G179-F182 CarbonylContact O-C 3.58Å; G179-F182 WeakPolarHBondContact O-CA 2.87Å; G179-F182 WeakPolarHBondContact O-CB 3.37Å; G179-F182 PolarHBondContact O-N 3.44Å; H180-F182 PolarHBondContact O-N 2.95Å; F182-M184 HydrophobicContact CB-CE 4.21Å; F182-L220 HydrophobicContact CB-CD1 4.02Å; F182-L220 HydrophobicContact CD1-CD1 3.54Å; F182-L220 HydrophobicContact CE1-CD1 4.13Å; F182-L220 HydrophobicContact CG-CD1 3.85Å; F182-S223 WeakPolarHBondContact O-CB 3.23Å; F182-S223 PolarHBondContact O-OG 2.83Å; F182-L224 HydrophobicContact CE1-CD2 4.34Å; F182-L232 HydrophobicContact CE1-CD1 3.56Å; F182-L232 HydrophobicContact CZ-CD1 3.92Å
183G94Very high94.2Very high12 Ų1240 Ų4012%0.12420%0.198CC..THydrogen-bonded Turntrans96.50.9177.500000114.5Q147 G179 H180 N181Q147-G183 PolarHBondContact NE2-O 3.28Å; G179-G183 PolarHBondContact O-N 2.96Å; H180-G183 WeakPolarHBondContact O-CA 3.32Å; H180-G183 PolarHBondContact O-N 3.26Å; N181-G183 PolarHBondContact O-N 3.02Å
184M95.3Very high93.9Very high0 Ų043.5 Ų43.50%022%0.22CC..PPolyproline II helixtrans-65.8139.6179.6-54.6171.1-172.700111G179 H180 F182 M200 W212 L220G179-M184 VanDerWaalsContact CA-SD 3.56Å; G179-M184 VanDerWaalsContact O-CB 3.23Å; G179-M184 WeakPolarHBondContact O-CB 3.44Å; G179-M184 VanDerWaalsContact O-CG 3.27Å; G179-M184 WeakPolarHBondContact O-CG 3.44Å; G179-M184 PolarHBondContact O-N 3.21Å; H180-M184 PolarHBondContact ND1-O 2.79Å; F182-M184 HydrophobicContact CB-CE 4.21Å; M184-M200 HydrophobicContact CB-CE 3.98Å; M184-M200 HydrophobicContact CB-CG 4.16Å; M184-M200 HydrophobicContact CB-SD 4.19Å; M184-M200 HydrophobicContact SD-CG 4.18Å; M184-M200 HydrophobicContact SD-SD 4.22Å; M184-W212 HydrophobicContact CE-CE3 4.07Å; M184-W212 HydrophobicContact CE-CH2 4.32Å; M184-W212 HydrophobicContact CE-CZ3 3.9Å; M184-W212 HydrophobicContact SD-CE3 3.66Å; M184-W212 HydrophobicContact SD-CH2 4.16Å; M184-W212 HydrophobicContact SD-CZ3 3.32Å; M184-W212 WeakPolarHBondContact SD-CZ3 3.44Å; M184-L220 HydrophobicContact CE-CB 3.78Å; M184-L220 HydrophobicContact CE-CD1 4.05Å; M184-L220 HydrophobicContact CE-CD2 4.01Å; M184-L220 HydrophobicContact CE-CG 4.17Å
185M93.4Very high93.3Very high80 Ų8045.5 Ų45.539%0.39423%0.234SC..PPolyproline II helixtrans-98.8166.7171.3-60.5-172.976.700110.5Y219M185-Y219 HydrophobicContact CB-CD2 4.3Å; M185-Y219 HydrophobicContact CB-CE2 3.66Å; M185-Y219 HydrophobicContact CG-CE1 4.27Å; M185-Y219 HydrophobicContact CG-CE2 4.07Å; M185-Y219 HydrophobicContact SD-CE1 4.25Å
186H93.8Very high92.7Very high49 Ų4951.4 Ų51.423%0.22727%0.27CS..PPolyproline II helixtrans-59.5144172.5-64.2148.3000112.2H176 H180 M200 P202 E710H176-H186 AromaticContact CE1-CD2 3.69Å; H176-H186 AromaticContact CE1-NE2 3.94Å; H176-H186 AromaticContact NE2-CD2 3.55Å; H176-H186 AromaticContact NE2-NE2 3.46Å; H176-H186 PolarHBondContact NE2-NE2 2.71Å; H180-H186 AromaticContact CE1-CD2 3.58Å; H180-H186 AromaticContact CE1-NE2 3.59Å; H180-H186 AromaticContact NE2-CD2 3.67Å; H180-H186 AromaticContact NE2-NE2 3.29Å; H180-H186 PolarHBondContact NE2-NE2 2.82Å; H186-M200 CarbonylContact C-O 3.54Å; H186-M200 WeakPolarHBondContact CA-O 3.07Å; H186-P202 HydrophobicContact CB-CB 4.17Å; H186-E710 PolarHBondContact CE1-O 3.48Å
187D92.9Very high92.2Very high22 Ų2252.1 Ų52.112%0.11828%0.277CS..PPolyproline II helixtrans-63.9142.5176.2-67.4-31.1000111.2C191 C198 M200 A201 S213 S216D187-C191 HydrophobicContact CB-CB 4.44Å; D187-C198 VanDerWaalsContact OD2-CB 3.27Å; D187-C198 WeakPolarHBondContact OD2-CB 3.14Å; D187-M200 PolarHBondContact N-O 3.32Å; D187-A201 PolarHBondContact OD2-N 3.31Å; D187-S213 VanDerWaalsContact OD1-CB 3.25Å; D187-S213 WeakPolarHBondContact OD1-CB 3.45Å; D187-S213 PolarHBondContact OD1-OG 2.88Å; D187-S216 PolarHBondContact OD1-OG 3.46Å
188T90.5Very high92Very high84 Ų8452.3 Ų52.352%0.51528%0.279SS..  trans-115.4170.417273.30000109.5K190 C191T188-K190 PolarHBondContact O-N 3.37Å; T188-K190 PolarHBondContact OG1-N 3.08Å; T188-C191 PolarHBondContact N-SG 2.83Å; T188-C191 WeakPolarHBondContact O-CB 3.5Å; T188-C191 PolarHBondContact O-N 3.47Å; T188-C191 PolarHBondContact O-SG 3.16Å
189K87.8Confident91.8Very high219 Ų21952.7 Ų52.795%0.95228%0.281SS*.THydrogen-bonded Turntrans-59.8-10.8175.9-62.1-175.3179.8-177.40114.6
190K90.8Very high91.6Very high191 Ų19152.7 Ų52.783%0.8328%0.281SS*.THydrogen-bonded Turntrans-86.1-14.8176.9-61.7-178.8-179.5178.10112.9T188T188-K190 PolarHBondContact O-N 3.37Å; T188-K190 PolarHBondContact OG1-N 3.08Å
191C93.7Very high91.4Very high19 Ų1953.6 Ų53.613%0.12829%0.289CS..SBendtrans-80.3136.9-178.3-52.40000109.7D187 T188 C215D187-C191 HydrophobicContact CB-CB 4.44Å; T188-C191 PolarHBondContact N-SG 2.83Å; T188-C191 WeakPolarHBondContact O-CB 3.5Å; T188-C191 PolarHBondContact O-N 3.47Å; T188-C191 PolarHBondContact O-SG 3.16Å; C191-C215 WeakPolarHBondContact CA-SG 3.42Å; C191-C215 HydrophobicContact CB-CB 3.86Å; C191-C215 WeakPolarHBondContact CB-SG 3.39Å; C191-C215 WeakPolarHBondContact SG-CB 3.19Å; C191-C215 CovalentContact SG-SG 2.03Å; C191-C215 PolarHBondContact SG-SG 3.29Å
192E93.4Very high90.7Very high118 Ų11856.3 Ų56.355%0.55131%0.306SS*.  trans-79126.6174.3-62.5176.8-166.900108.3Y30 S213 S214Y30-E192 HydrophobicContact CD1-CB 4.5Å; Y30-E192 HydrophobicContact CE1-CB 4.32Å; Y30-E192 PolarHBondContact OH-O 3.15Å; E192-S213 VanDerWaalsContact O-CA 3.29Å; E192-S213 WeakPolarHBondContact O-CA 3.35Å; E192-S213 WeakPolarHBondContact O-CB 3.18Å; E192-S214 PolarHBondContact N-OG 3.29Å; E192-S214 PolarHBondContact O-N 2.97Å
193C90.9Very high89.5Confident44 Ų4461 Ų6130%0.29733%0.33SS..  trans-142.2130.2177.5-175.40000109S195 G197 C198C193-S195 PolarHBondContact O-N 3.19Å; C193-S195 PolarHBondContact SG-O 2.66Å; C193-S195 VanDerWaalsContact SG-O 3.4Å; C193-G197 PolarHBondContact SG-O 3.42Å; C193-G197 VanDerWaalsContact SG-O 3.41Å; C193-C198 VanDerWaalsContact CA-SG 3.57Å; C193-C198 HydrophobicContact CB-CB 4.01Å; C193-C198 WeakPolarHBondContact CB-SG 3.42Å; C193-C198 WeakPolarHBondContact SG-CA 3.22Å; C193-C198 WeakPolarHBondContact SG-CB 3.12Å; C193-C198 PolarHBondContact SG-N 3.05Å; C193-C198 CovalentContact SG-SG 2.03Å; C193-C198 PolarHBondContact SG-SG 2.9Å
194P87.6Confident87.8Confident74 Ų7462.3 Ų62.348%0.48134%0.336SS..SBendtrans-72.4-12.8178.931.7-38.5000113.1P28 Y30 H211P28-P194 HydrophobicContact CG-CG 3.9Å; Y30-P194 WeakPolarHBondContact OH-CD 3.44Å; P194-H211 HydrophobicContact CG-CB 3.71Å; P194-H211 VanDerWaalsContact CG-CD2 3.41Å; P194-H211 WeakPolarHBondContact CG-CD2 3.06Å; P194-H211 VanDerWaalsContact CG-CG 3.47Å
195S84.3Confident85.7Confident43 Ų4365.2 Ų65.230%0.30137%0.366SS..SBendtrans-118171.9-176.2-57.10000111.3C193 G197C193-S195 PolarHBondContact O-N 3.19Å; C193-S195 PolarHBondContact SG-O 2.66Å; C193-S195 VanDerWaalsContact SG-O 3.4Å; S195-G197 WeakPolarHBondContact CB-O 3.43Å; S195-G197 PolarHBondContact O-N 3.01Å
196V82.1Confident83.4Confident124 Ų12465.3 Ų65.375%0.75238%0.379SS*.SBendtrans-58.8-31.9179.5178.30000112.4
197G86.4Confident81.3Confident15 Ų1565 Ų6516%0.15538%0.382CS..SBendtrans-143.3159.7166.100000108.4C193 S195 S207 S209C193-G197 PolarHBondContact SG-O 3.42Å; C193-G197 VanDerWaalsContact SG-O 3.41Å; S195-G197 WeakPolarHBondContact CB-O 3.43Å; S195-G197 PolarHBondContact O-N 3.01Å; G197-S207 PolarHBondContact O-OG 2.7Å; G197-S209 WeakPolarHBondContact O-CB 3.5Å; G197-S209 PolarHBondContact O-OG 3.16Å
198C92.6Very high80Confident5 Ų569.3 Ų69.33%0.03440%0.402CS..  trans-106.8176.6170.5-880000108.9D187 C193 M200 A201 S209 H211D187-C198 VanDerWaalsContact OD2-CB 3.27Å; D187-C198 WeakPolarHBondContact OD2-CB 3.14Å; C193-C198 VanDerWaalsContact CA-SG 3.57Å; C193-C198 HydrophobicContact CB-CB 4.01Å; C193-C198 WeakPolarHBondContact CB-SG 3.42Å; C193-C198 WeakPolarHBondContact SG-CA 3.22Å; C193-C198 WeakPolarHBondContact SG-CB 3.12Å; C193-C198 PolarHBondContact SG-N 3.05Å; C193-C198 CovalentContact SG-SG 2.03Å; C193-C198 PolarHBondContact SG-SG 2.9Å; C198-M200 PolarHBondContact O-N 3.12Å; C198-M200 VanDerWaalsContact O-N 3.14Å; C198-A201 WeakPolarHBondContact O-CB 3.42Å; C198-A201 PolarHBondContact O-N 2.91Å; C198-S209 VanDerWaalsContact CA-OG 3.28Å; C198-S209 WeakPolarHBondContact CA-OG 3.19Å; C198-H211 WeakPolarHBondContact CA-O 3.29Å; C198-H211 WeakPolarHBondContact CB-O 3.36Å; C198-H211 PolarHBondContact SG-O 2.89Å; C198-H211 VanDerWaalsContact SG-O 3.35Å
199I92.5Very high79.4Confident7 Ų765.7 Ų65.74%0.03638%0.38CS..THydrogen-bonded Turntrans-51.9-41.4-176.2-68.6159.4000111.7I77 H176 A201 H211 W212I77-I199 HydrophobicContact CG2-CD1 3.4Å; I77-I199 HydrophobicContact CG2-CG1 4.49Å; H176-I199 HydrophobicContact CB-CG2 4.14Å; H176-I199 PolarHBondContact ND1-O 2.95Å; I199-A201 VanDerWaalsContact C-N 3.25Å; I199-A201 PolarHBondContact O-N 3.23Å; I199-H211 WeakPolarHBondContact CG1-O 3.25Å; I199-H211 PolarHBondContact N-O 3.27Å; I199-W212 HydrophobicContact CB-CD2 4.44Å; I199-W212 HydrophobicContact CB-CE3 4.05Å; I199-W212 HydrophobicContact CB-CZ3 4.1Å; I199-W212 HydrophobicContact CD1-CD2 3.62Å; I199-W212 VanDerWaalsContact CD1-CE2 3.46Å; I199-W212 HydrophobicContact CD1-CE3 4.08Å; I199-W212 HydrophobicContact CD1-CG 4.01Å; I199-W212 HydrophobicContact CD1-CH2 4.32Å; I199-W212 HydrophobicContact CD1-CZ2 3.87Å; I199-W212 HydrophobicContact CD1-CZ3 4.39Å; I199-W212 HydrophobicContact CG2-CE3 4.12Å; I199-W212 HydrophobicContact CG2-CH2 3.86Å; I199-W212 HydrophobicContact CG2-CZ2 4.46Å; I199-W212 HydrophobicContact CG2-CZ3 3.65Å
200M93.7Very high79.2Confident0 Ų056.6 Ų56.60%034%0.341CS..THydrogen-bonded Turntrans-84.515.9-179-61.7-53.7-58.500113.9H180 M184 H186 D187 C198 W212 S216H180-M200 WeakPolarHBondContact CE1-CE 3.33Å; H180-M200 WeakPolarHBondContact ND1-CE 3.42Å; M184-M200 HydrophobicContact CB-CE 3.98Å; M184-M200 HydrophobicContact CB-CG 4.16Å; M184-M200 HydrophobicContact CB-SD 4.19Å; M184-M200 HydrophobicContact SD-CG 4.18Å; M184-M200 HydrophobicContact SD-SD 4.22Å; H186-M200 CarbonylContact C-O 3.54Å; H186-M200 WeakPolarHBondContact CA-O 3.07Å; D187-M200 PolarHBondContact N-O 3.32Å; C198-M200 PolarHBondContact O-N 3.12Å; C198-M200 VanDerWaalsContact O-N 3.14Å; M200-W212 HydrophobicContact CG-CE3 4.23Å; M200-W212 HydrophobicContact CG-CZ3 4.07Å; M200-W212 HydrophobicContact SD-CZ3 3.97Å; M200-S216 VanDerWaalsContact CG-OG 3.3Å; M200-S216 WeakPolarHBondContact CG-OG 3.21Å
201A91.1Very high79.2Confident20 Ų2048.7 Ų48.717%0.16531%0.307CS..  trans-61.5139.3171.500000110.8H176 D187 C198 I199 I203H176-A201 PolarHBondContact CE1-O 3.43Å; D187-A201 PolarHBondContact OD2-N 3.31Å; C198-A201 WeakPolarHBondContact O-CB 3.42Å; C198-A201 PolarHBondContact O-N 2.91Å; I199-A201 VanDerWaalsContact C-N 3.25Å; I199-A201 PolarHBondContact O-N 3.23Å; A201-I203 PolarHBondContact O-N 2.98Å
202P81.8Confident79.2Confident57 Ų5747.8 Ų47.837%0.3730%0.301SS..SBendtrans-69.9-6.9-173.427.1-35.6000115.1H186H186-P202 HydrophobicContact CB-CB 4.17Å
203I72Confident79.3Confident98 Ų9842.2 Ų42.250%0.50328%0.275SS..EExtended strand (participates in β ladder)trans-135.1114-177.7-60.4173000108.4A201 G205 G712 V714A201-I203 PolarHBondContact O-N 2.98Å; I203-G205 PolarHBondContact O-N 2.93Å; I203-G712 WeakPolarHBondContact CG2-O 3.48Å; I203-V714 HydrophobicContact CG2-CG2 4.07Å
204T57.3Low79.5Confident40 Ų4040.8 Ų40.825%0.24527%0.266CS..EExtended strand (participates in β ladder)trans-79.499.1172.450.10000108.6V142 I711V142-T204 WeakPolarHBondContact CG2-OG1 3.37Å; T204-I711 HydrophobicContact CG2-CD1 4.11Å; T204-I711 HydrophobicContact CG2-CG2 3.69Å; T204-I711 WeakPolarHBondContact OG1-CG2 3.28Å
205G50.9Low79.9Confident61 Ų6138.2 Ų38.263%0.62925%0.249SC*.THydrogen-bonded Turntrans-175-20.3176.700000116.9I203I203-G205 PolarHBondContact O-N 2.93Å
206A45.5Very low80.5Confident82 Ų8236.2 Ų36.268%0.67824%0.235SC*.SBendtrans-112.6-10.8-174.700000115.2
207S50.6Low81.1Confident41 Ų4130.4 Ų30.429%0.28720%0.2SC..  trans-147.4119.1-175.8-153.10000111.8G197 S209G197-S207 PolarHBondContact O-OG 2.7Å; S207-S209 PolarHBondContact O-N 3.24Å; S207-S209 VanDerWaalsContact O-N 3.08Å
208H64.4Low81.5Confident114 Ų11435.2 Ų35.253%0.52822%0.218SC..  trans-77.736.3165-64-77.1000110.9Y168Y168-H208 HydrophobicContact CE1-CB 4.37Å
209S77.3Confident81.6Confident7 Ų739 Ų395%0.04923%0.232CC..  trans-67.4135.8-18062.90000110.1G197 C198 S207G197-S209 WeakPolarHBondContact O-CB 3.5Å; G197-S209 PolarHBondContact O-OG 3.16Å; C198-S209 VanDerWaalsContact CA-OG 3.28Å; C198-S209 WeakPolarHBondContact CA-OG 3.19Å; S207-S209 PolarHBondContact O-N 3.24Å; S207-S209 VanDerWaalsContact O-N 3.08Å
210I84.4Confident81.8Confident29 Ų2939 Ų3915%0.14923%0.233CC..  trans-103.217.3167.152.2173.7000112.5A25 I77 Y168A25-I210 HydrophobicContact CB-CD1 3.63Å; A25-I210 HydrophobicContact CB-CG1 4.19Å; I77-I210 HydrophobicContact CG1-CG2 4.07Å; Y168-I210 HydrophobicContact CE1-CG2 4.2Å; Y168-I210 HydrophobicContact CE2-CG2 4.47Å; Y168-I210 WeakPolarHBondContact OH-CG2 3.22Å
211H90.2Very high81.8Confident25 Ų2540.1 Ų40.112%0.11624%0.241CC..PPolyproline II helixtrans-94.4136.9178.7-60.9-62.7000110.2P194 C198 I199P194-H211 HydrophobicContact CG-CB 3.71Å; P194-H211 VanDerWaalsContact CG-CD2 3.41Å; P194-H211 WeakPolarHBondContact CG-CD2 3.06Å; P194-H211 VanDerWaalsContact CG-CG 3.47Å; C198-H211 WeakPolarHBondContact CA-O 3.29Å; C198-H211 WeakPolarHBondContact CB-O 3.36Å; C198-H211 PolarHBondContact SG-O 2.89Å; C198-H211 VanDerWaalsContact SG-O 3.35Å; I199-H211 WeakPolarHBondContact CG1-O 3.25Å; I199-H211 PolarHBondContact N-O 3.27Å
212W94.1Very high81.8Confident0 Ų045.2 Ų45.20%026%0.257CS..PPolyproline II helixtrans-86.3135.4167.3-61.399.1000107.8Y30 Y31 I77 F78 L81 M184 I199 M200 L217Y30-W212 PolarHBondContact OH-O 3.35Å; Y31-W212 WeakPolarHBondContact CE2-O 3.31Å; Y31-W212 WeakPolarHBondContact OH-CB 3.48Å; Y31-W212 PolarHBondContact OH-N 2.81Å; I77-W212 HydrophobicContact CG2-CZ2 3.78Å; I77-W212 PolarHBondContact O-NE1 2.03Å; F78-W212 HydrophobicContact CD1-CZ2 4Å; F78-W212 HydrophobicContact CD2-CZ2 4.42Å; F78-W212 AromaticContact CE1-CH2 3.86Å; F78-W212 HydrophobicContact CE1-CH2 3.86Å; F78-W212 AromaticContact CE1-CZ2 3.65Å; F78-W212 HydrophobicContact CE1-CZ2 3.65Å; F78-W212 HydrophobicContact CE2-CH2 4.37Å; F78-W212 HydrophobicContact CE2-CZ2 4.11Å; F78-W212 HydrophobicContact CG-CZ2 4.36Å; F78-W212 AromaticContact CZ-CH2 3.69Å; F78-W212 HydrophobicContact CZ-CH2 3.69Å; F78-W212 AromaticContact CZ-CZ2 3.69Å; F78-W212 HydrophobicContact CZ-CZ2 3.69Å; L81-W212 HydrophobicContact CD1-CD2 3.98Å; L81-W212 HydrophobicContact CD1-CG 4.02Å; L81-W212 HydrophobicContact CD1-CZ2 4.05Å; L81-W212 HydrophobicContact CD2-CG 4.16Å; L81-W212 HydrophobicContact CG-CG 4.46Å; M184-W212 HydrophobicContact CE-CE3 4.07Å; M184-W212 HydrophobicContact CE-CH2 4.32Å; M184-W212 HydrophobicContact CE-CZ3 3.9Å; M184-W212 HydrophobicContact SD-CE3 3.66Å; M184-W212 HydrophobicContact SD-CH2 4.16Å; M184-W212 HydrophobicContact SD-CZ3 3.32Å; M184-W212 WeakPolarHBondContact SD-CZ3 3.44Å; I199-W212 HydrophobicContact CB-CD2 4.44Å; I199-W212 HydrophobicContact CB-CE3 4.05Å; I199-W212 HydrophobicContact CB-CZ3 4.1Å; I199-W212 HydrophobicContact CD1-CD2 3.62Å; I199-W212 VanDerWaalsContact CD1-CE2 3.46Å; I199-W212 HydrophobicContact CD1-CE3 4.08Å; I199-W212 HydrophobicContact CD1-CG 4.01Å; I199-W212 HydrophobicContact CD1-CH2 4.32Å; I199-W212 HydrophobicContact CD1-CZ2 3.87Å; I199-W212 HydrophobicContact CD1-CZ3 4.39Å; I199-W212 HydrophobicContact CG2-CE3 4.12Å; I199-W212 HydrophobicContact CG2-CH2 3.86Å; I199-W212 HydrophobicContact CG2-CZ2 4.46Å; I199-W212 HydrophobicContact CG2-CZ3 3.65Å; M200-W212 HydrophobicContact CG-CE3 4.23Å; M200-W212 HydrophobicContact CG-CZ3 4.07Å; M200-W212 HydrophobicContact SD-CZ3 3.97Å; W212-L217 HydrophobicContact CB-CD2 3.92Å; W212-L217 HydrophobicContact CB-CG 4.33Å
213S94.8Very high82.3Confident0 Ų043 Ų430%024%0.242CC..PPolyproline II helixtrans-74.4165.6179.583.40000111.3D187 E192 C215 S216 L217D187-S213 VanDerWaalsContact OD1-CB 3.25Å; D187-S213 WeakPolarHBondContact OD1-CB 3.45Å; D187-S213 PolarHBondContact OD1-OG 2.88Å; E192-S213 VanDerWaalsContact O-CA 3.29Å; E192-S213 WeakPolarHBondContact O-CA 3.35Å; E192-S213 WeakPolarHBondContact O-CB 3.18Å; S213-C215 PolarHBondContact O-N 3.13Å; S213-C215 PolarHBondContact OG-N 3.34Å; S213-S216 PolarHBondContact N-OG 2.87Å; S213-S216 PolarHBondContact O-N 3.04Å; S213-S216 VanDerWaalsContact O-N 3.11Å; S213-S216 PolarHBondContact OG-N 2.9Å; S213-S216 VanDerWaalsContact OG-N 3.17Å; S213-S216 PolarHBondContact OG-OG 3.26Å; S213-S216 VanDerWaalsContact OG-OG 3.13Å; S213-L217 WeakPolarHBondContact O-CG 3.12Å; S213-L217 PolarHBondContact O-N 2.76Å; S213-L217 VanDerWaalsContact O-N 3.14Å
214S95.8Very high83.2Confident15 Ų1539.8 Ų39.811%0.10523%0.226CC..Hα-helixtrans-56.8-32172.662.90000113.4E192 E218E192-S214 PolarHBondContact N-OG 3.29Å; E192-S214 PolarHBondContact O-N 2.97Å; S214-E218 PolarHBondContact O-N 3.04Å; S214-E218 VanDerWaalsContact O-N 3.14Å
215C96Very high84.7Confident20 Ų2043.8 Ų43.814%0.13525%0.246CC..Hα-helixtrans-70.2-43.3175.6-62.90000111.8C191 S213 L217 E218 Y219C191-C215 WeakPolarHBondContact CA-SG 3.42Å; C191-C215 HydrophobicContact CB-CB 3.86Å; C191-C215 WeakPolarHBondContact CB-SG 3.39Å; C191-C215 WeakPolarHBondContact SG-CB 3.19Å; C191-C215 CovalentContact SG-SG 2.03Å; C191-C215 PolarHBondContact SG-SG 3.29Å; S213-C215 PolarHBondContact O-N 3.13Å; S213-C215 PolarHBondContact OG-N 3.34Å; C215-L217 VanDerWaalsContact C-N 3.26Å; C215-L217 PolarHBondContact O-N 2.74Å; C215-E218 PolarHBondContact O-N 3.18Å; C215-Y219 HydrophobicContact CB-CE2 4.16Å; C215-Y219 WeakPolarHBondContact O-CD2 3.49Å; C215-Y219 PolarHBondContact O-N 2.95Å
216S96.2Very high86.4Confident0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-58.5-42.3178-47.10000111D187 M200 S213 Y219 L220D187-S216 PolarHBondContact OD1-OG 3.46Å; M200-S216 VanDerWaalsContact CG-OG 3.3Å; M200-S216 WeakPolarHBondContact CG-OG 3.21Å; S213-S216 PolarHBondContact N-OG 2.87Å; S213-S216 PolarHBondContact O-N 3.04Å; S213-S216 VanDerWaalsContact O-N 3.11Å; S213-S216 PolarHBondContact OG-N 2.9Å; S213-S216 VanDerWaalsContact OG-N 3.17Å; S213-S216 PolarHBondContact OG-OG 3.26Å; S213-S216 VanDerWaalsContact OG-OG 3.13Å; S216-Y219 PolarHBondContact O-N 3.39Å; S216-L220 WeakPolarHBondContact O-CB 3.42Å; S216-L220 PolarHBondContact O-N 3.26Å
217L96.2Very high88.3Confident2 Ų239.5 Ų39.51%0.0120%0.197CC..Hα-helixtrans-67.7-37.3177.8-61.5-176.2000113Y30 Y31 Y34 L81 W212 S213 C215 L220 A221Y30-L217 HydrophobicContact CD2-CD1 3.74Å; Y30-L217 HydrophobicContact CE2-CD1 3.69Å; Y31-L217 HydrophobicContact CD1-CD1 4.21Å; Y31-L217 HydrophobicContact CD1-CD2 4.49Å; Y31-L217 HydrophobicContact CD2-CD1 3.59Å; Y31-L217 HydrophobicContact CE1-CD2 4.39Å; Y31-L217 HydrophobicContact CE2-CD1 3.91Å; Y31-L217 HydrophobicContact CG-CD1 3.77Å; Y34-L217 HydrophobicContact CD1-CB 4.36Å; Y34-L217 HydrophobicContact CD2-CB 3.68Å; Y34-L217 HydrophobicContact CD2-CD1 3.81Å; Y34-L217 HydrophobicContact CD2-CG 4.44Å; Y34-L217 HydrophobicContact CE2-CB 4.36Å; Y34-L217 HydrophobicContact CG-CB 3.69Å; Y34-L217 HydrophobicContact CG-CD1 4.45Å; L81-L217 HydrophobicContact CD2-CD2 3.27Å; W212-L217 HydrophobicContact CB-CD2 3.92Å; W212-L217 HydrophobicContact CB-CG 4.33Å; S213-L217 WeakPolarHBondContact O-CG 3.12Å; S213-L217 PolarHBondContact O-N 2.76Å; S213-L217 VanDerWaalsContact O-N 3.14Å; C215-L217 VanDerWaalsContact C-N 3.26Å; C215-L217 PolarHBondContact O-N 2.74Å; L217-L220 PolarHBondContact O-N 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.35Å; L217-A221 PolarHBondContact O-N 3.4Å
218E95Very high90.2Very high117 Ų11737.9 Ų37.955%0.54719%0.186SC..Hα-helixtrans-63-45.2173.8-175.4176.4-168.100111.2Y34 S214 C215 A221 W222Y34-E218 HydrophobicContact CE1-CB 4.11Å; S214-E218 PolarHBondContact O-N 3.04Å; S214-E218 VanDerWaalsContact O-N 3.14Å; C215-E218 PolarHBondContact O-N 3.18Å; E218-A221 PolarHBondContact O-N 3.15Å; E218-W222 WeakPolarHBondContact O-CB 3.27Å; E218-W222 PolarHBondContact O-N 2.9Å
219Y95.1Very high91.4Very high84 Ų8434.1 Ų34.133%0.32917%0.17SC..Hα-helixtrans-63.7-40.5175.6-67.3-53.1000112.6M185 C215 S216 W222 S223M185-Y219 HydrophobicContact CB-CD2 4.3Å; M185-Y219 HydrophobicContact CB-CE2 3.66Å; M185-Y219 HydrophobicContact CG-CE1 4.27Å; M185-Y219 HydrophobicContact CG-CE2 4.07Å; M185-Y219 HydrophobicContact SD-CE1 4.25Å; C215-Y219 HydrophobicContact CB-CE2 4.16Å; C215-Y219 WeakPolarHBondContact O-CD2 3.49Å; C215-Y219 PolarHBondContact O-N 2.95Å; S216-Y219 PolarHBondContact O-N 3.39Å; Y219-W222 PolarHBondContact O-N 3.42Å; Y219-S223 WeakPolarHBondContact O-CB 3.29Å; Y219-S223 PolarHBondContact O-N 3.29Å
220L95.3Very high92Very high8 Ų834.5 Ų34.54%0.04217%0.174CC..Hα-helixtrans-63.5-49.7176.517962.2000111.5L81 I83 F182 M184 S216 L217 W222 S223 L224L81-L220 HydrophobicContact CB-CD2 4.22Å; L81-L220 HydrophobicContact CD1-CD2 3.77Å; L81-L220 HydrophobicContact CD2-CD2 4.44Å; L81-L220 HydrophobicContact CG-CD2 4.38Å; I83-L220 HydrophobicContact CD1-CD1 4.13Å; I83-L220 HydrophobicContact CD1-CD2 4.11Å; F182-L220 HydrophobicContact CB-CD1 4.02Å; F182-L220 HydrophobicContact CD1-CD1 3.54Å; F182-L220 HydrophobicContact CE1-CD1 4.13Å; F182-L220 HydrophobicContact CG-CD1 3.85Å; M184-L220 HydrophobicContact CE-CB 3.78Å; M184-L220 HydrophobicContact CE-CD1 4.05Å; M184-L220 HydrophobicContact CE-CD2 4.01Å; M184-L220 HydrophobicContact CE-CG 4.17Å; S216-L220 WeakPolarHBondContact O-CB 3.42Å; S216-L220 PolarHBondContact O-N 3.26Å; L217-L220 PolarHBondContact O-N 3.31Å; L220-W222 PolarHBondContact O-N 3.15Å; L220-S223 WeakPolarHBondContact O-CB 3.3Å; L220-S223 PolarHBondContact O-N 2.92Å; L220-L224 HydrophobicContact CD1-CD1 3.98Å; L220-L224 HydrophobicContact CD1-CD2 4.31Å; L220-L224 HydrophobicContact CD1-CG 3.92Å; L220-L224 HydrophobicContact CG-CD1 3.9Å; L220-L224 HydrophobicContact CG-CG 4.24Å; L220-L224 WeakPolarHBondContact O-CG 3.34Å; L220-L224 PolarHBondContact O-N 2.92Å
221A93.2Very high92.4Very high22 Ų2233.2 Ų33.218%0.18217%0.167CC..Hα-helixtrans-58.7-38.7177.400000111.1Y34 L217 E218 N225Y34-A221 HydrophobicContact CD1-CB 4.5Å; L217-A221 WeakPolarHBondContact O-CB 3.35Å; L217-A221 PolarHBondContact O-N 3.4Å; E218-A221 PolarHBondContact O-N 3.15Å; A221-N225 WeakPolarHBondContact O-CB 3.39Å; A221-N225 VanDerWaalsContact O-CG 3.26Å; A221-N225 PolarHBondContact O-N 2.82Å; A221-N225 PolarHBondContact O-ND2 3.33Å
222W91.3Very high92.5Very high128 Ų12832 Ų3249%0.48516%0.162SC..Hα-helixtrans-61.7-51.3171.6-170.892.5000111.1E218 Y219 L220 L224 N225 H226E218-W222 WeakPolarHBondContact O-CB 3.27Å; E218-W222 PolarHBondContact O-N 2.9Å; Y219-W222 PolarHBondContact O-N 3.42Å; L220-W222 PolarHBondContact O-N 3.15Å; W222-L224 PolarHBondContact O-N 2.93Å; W222-N225 PolarHBondContact O-N 3.46Å; W222-H226 AromaticContact CD1-CE1 3.53Å; W222-H226 AromaticContact CD1-ND1 3.69Å; W222-H226 AromaticContact CD2-ND1 3.51Å; W222-H226 AromaticContact CE2-CE1 3.66Å; W222-H226 AromaticContact CE2-CG 3.9Å; W222-H226 AromaticContact CE2-ND1 3.41Å; W222-H226 HydrophobicContact CE3-CB 4.41Å; W222-H226 AromaticContact CG-CE1 3.99Å; W222-H226 AromaticContact CG-ND1 3.69Å; W222-H226 HydrophobicContact CH2-CB 4.09Å; W222-H226 HydrophobicContact CZ2-CB 4.3Å; W222-H226 AromaticContact CZ2-CG 3.92Å; W222-H226 AromaticContact CZ2-ND1 3.91Å; W222-H226 HydrophobicContact CZ3-CB 4.15Å; W222-H226 AromaticContact NE1-CE1 3.3Å; W222-H226 PolarHBondContact NE1-CE1 3.45Å; W222-H226 VanDerWaalsContact NE1-CE1 3.3Å; W222-H226 AromaticContact NE1-ND1 3.52Å; W222-H226 AromaticContact NE1-NE2 3.97Å; W222-H226 PolarHBondContact O-N 2.81Å; W222-H226 VanDerWaalsContact O-N 3.16Å; W222-H226 PolarHBondContact O-ND1 3.29Å
223S92.1Very high92.3Very high9 Ų935.4 Ų35.46%0.06318%0.179CC..Hα-helixtrans-58.3-49.2-178.2-1730000113.1F182 Y219 L220 N225 H226 G227 G228F182-S223 WeakPolarHBondContact O-CB 3.23Å; F182-S223 PolarHBondContact O-OG 2.83Å; Y219-S223 WeakPolarHBondContact O-CB 3.29Å; Y219-S223 PolarHBondContact O-N 3.29Å; L220-S223 WeakPolarHBondContact O-CB 3.3Å; L220-S223 PolarHBondContact O-N 2.92Å; S223-N225 VanDerWaalsContact C-N 3.3Å; S223-N225 PolarHBondContact O-N 3.42Å; S223-H226 CarbonylContact O-C 3.56Å; S223-H226 PolarHBondContact O-N 3.31Å; S223-G227 PolarHBondContact O-N 2.76Å; S223-G228 WeakPolarHBondContact O-CA 3.28Å; S223-G228 PolarHBondContact O-N 3.2Å
224L91.9Very high92Very high32 Ų3237.6 Ų37.617%0.16819%0.191CC..Iπ-helixtrans-60.6-39.5179.2-64.6176.5000111.5L40 F182 L220 W222 H226 D229 L232L40-L224 HydrophobicContact CD1-CD1 3.83Å; L40-L224 HydrophobicContact CD1-CD2 3.67Å; L40-L224 HydrophobicContact CD1-CG 4.39Å; F182-L224 HydrophobicContact CE1-CD2 4.34Å; L220-L224 HydrophobicContact CD1-CD1 3.98Å; L220-L224 HydrophobicContact CD1-CD2 4.31Å; L220-L224 HydrophobicContact CD1-CG 3.92Å; L220-L224 HydrophobicContact CG-CD1 3.9Å; L220-L224 HydrophobicContact CG-CG 4.24Å; L220-L224 WeakPolarHBondContact O-CG 3.34Å; L220-L224 PolarHBondContact O-N 2.92Å; W222-L224 PolarHBondContact O-N 2.93Å; L224-H226 PolarHBondContact O-N 2.78Å; L224-D229 HydrophobicContact CB-CB 4.42Å; L224-D229 HydrophobicContact CD2-CB 3.86Å; L224-L232 HydrophobicContact CD2-CD1 4.18Å
225N88.4Confident91.6Very high123 Ų12342 Ų4266%0.65821%0.21SC*.Iπ-helixtrans-73.1-12176.9-73.2-38.4000114.4A221 W222 S223A221-N225 WeakPolarHBondContact O-CB 3.39Å; A221-N225 VanDerWaalsContact O-CG 3.26Å; A221-N225 PolarHBondContact O-N 2.82Å; A221-N225 PolarHBondContact O-ND2 3.33Å; W222-N225 PolarHBondContact O-N 3.46Å; S223-N225 VanDerWaalsContact C-N 3.3Å; S223-N225 PolarHBondContact O-N 3.42Å
226H86.3Confident91.2Very high48 Ų4841.8 Ų41.822%0.22221%0.208CC..Iπ-helixtrans-121.628.9-176.3-61.194.8000112.6W222 S223 L224 N413 G415W222-H226 AromaticContact CD1-CE1 3.53Å; W222-H226 AromaticContact CD1-ND1 3.69Å; W222-H226 AromaticContact CD2-ND1 3.51Å; W222-H226 AromaticContact CE2-CE1 3.66Å; W222-H226 AromaticContact CE2-CG 3.9Å; W222-H226 AromaticContact CE2-ND1 3.41Å; W222-H226 HydrophobicContact CE3-CB 4.41Å; W222-H226 AromaticContact CG-CE1 3.99Å; W222-H226 AromaticContact CG-ND1 3.69Å; W222-H226 HydrophobicContact CH2-CB 4.09Å; W222-H226 HydrophobicContact CZ2-CB 4.3Å; W222-H226 AromaticContact CZ2-CG 3.92Å; W222-H226 AromaticContact CZ2-ND1 3.91Å; W222-H226 HydrophobicContact CZ3-CB 4.15Å; W222-H226 AromaticContact NE1-CE1 3.3Å; W222-H226 PolarHBondContact NE1-CE1 3.45Å; W222-H226 VanDerWaalsContact NE1-CE1 3.3Å; W222-H226 AromaticContact NE1-ND1 3.52Å; W222-H226 AromaticContact NE1-NE2 3.97Å; W222-H226 PolarHBondContact O-N 2.81Å; W222-H226 VanDerWaalsContact O-N 3.16Å; W222-H226 PolarHBondContact O-ND1 3.29Å; S223-H226 CarbonylContact O-C 3.56Å; S223-H226 PolarHBondContact O-N 3.31Å; L224-H226 PolarHBondContact O-N 2.78Å; H226-N413 PolarHBondContact CD2-O 2.65Å; H226-G415 PolarHBondContact O-N 2.87Å
227G86.2Confident90.4Very high6 Ų653.9 Ų53.96%0.06225%0.254CS..Iπ-helixtrans102.3-1.1169.800000116S223 D229 A230S223-G227 PolarHBondContact O-N 2.76Å; G227-D229 PolarHBondContact O-N 3.49Å; G227-A230 WeakPolarHBondContact O-CB 3.32Å; G227-A230 PolarHBondContact O-N 2.56Å
228G89.9Confident89.7Confident6 Ų657.1 Ų57.16%0.06228%0.281CS..Iπ-helixtrans-68.9-8.6175.700000114I150 S223 L232I150-G228 WeakPolarHBondContact CG2-O 3.46Å; S223-G228 WeakPolarHBondContact O-CA 3.28Å; S223-G228 PolarHBondContact O-N 3.2Å; G228-L232 WeakPolarHBondContact O-CD1 3.44Å
229D90.7Very high89.2Confident35 Ų3553.2 Ų53.219%0.18726%0.264CS..THydrogen-bonded Turntrans-95.8-6.3175.874.1-31.5000113.5R38 L40 L224 G227 C231 L232 L233R38-D229 IonicContact NH1-OD2 3.45Å; R38-D229 PolarHBondContact NH1-OD2 2.71Å; R38-D229 VanDerWaalsContact NH1-OD2 3.1Å; L40-D229 HydrophobicContact CD2-CB 4.43Å; L224-D229 HydrophobicContact CB-CB 4.42Å; L224-D229 HydrophobicContact CD2-CB 3.86Å; G227-D229 PolarHBondContact O-N 3.49Å; D229-C231 VanDerWaalsContact C-N 3.31Å; D229-C231 PolarHBondContact O-N 2.91Å; D229-C231 VanDerWaalsContact O-N 3.17Å; D229-L232 PolarHBondContact O-N 3.2Å; D229-L233 WeakPolarHBondContact O-CG 3Å
230A89.3Confident88.7Confident16 Ų1651 Ų5113%0.13226%0.259CS..THydrogen-bonded Turntrans-60-35.2-165.200000114.9G227 I443 R447G227-A230 WeakPolarHBondContact O-CB 3.32Å; G227-A230 PolarHBondContact O-N 2.56Å; A230-I443 HydrophobicContact CB-CB 4.27Å; A230-I443 HydrophobicContact CB-CD1 3.98Å; A230-R447 PolarHBondContact O-NE 3.41Å; A230-R447 PolarHBondContact O-NH2 3.05Å
231C91.8Very high87.9Confident1 Ų154.7 Ų54.71%0.00728%0.279CS..THydrogen-bonded Turntrans-89.3-14.3175.7650000113.1D127 C151 D229 L233 N234D127-C231 VanDerWaalsContact CG-SG 3.6Å; D127-C231 VanDerWaalsContact OD1-CB 3.29Å; D127-C231 WeakPolarHBondContact OD1-CB 3.23Å; D127-C231 PolarHBondContact OD1-SG 3.27Å; C151-C231 WeakPolarHBondContact CA-SG 3.12Å; C151-C231 HydrophobicContact CB-CB 3.62Å; C151-C231 WeakPolarHBondContact CB-SG 3.49Å; C151-C231 WeakPolarHBondContact SG-CB 3.27Å; C151-C231 PolarHBondContact SG-N 2.94Å; C151-C231 CovalentContact SG-SG 2.04Å; C151-C231 PolarHBondContact SG-SG 3.28Å; D229-C231 VanDerWaalsContact C-N 3.31Å; D229-C231 PolarHBondContact O-N 2.91Å; D229-C231 VanDerWaalsContact O-N 3.17Å; C231-L233 VanDerWaalsContact C-N 3.3Å; C231-L233 PolarHBondContact O-N 2.95Å; C231-N234 PolarHBondContact O-OD1 3.22Å
232L93.6Very high86.8Confident0 Ų055.4 Ų55.40%029%0.288CS..THydrogen-bonded Turntrans-89.57.4-167.6-50.3179.2000114.4L40 F41 L42 F182 L224 G228 D229L40-L232 CarbonylContact C-O 3.29Å; L40-L232 WeakPolarHBondContact CA-O 3.48Å; L40-L232 HydrophobicContact CB-CB 4.09Å; L40-L232 HydrophobicContact CD1-CD1 4.42Å; L40-L232 HydrophobicContact CD2-CB 4.17Å; F41-L232 PolarHBondContact N-O 2.88Å; F41-L232 WeakPolarHBondContact O-CA 3.01Å; F41-L232 WeakPolarHBondContact O-CB 3.38Å; F41-L232 WeakPolarHBondContact O-CD2 3.29Å; L42-L232 HydrophobicContact CB-CD2 4.15Å; L42-L232 HydrophobicContact CD1-CD2 3.5Å; L42-L232 HydrophobicContact CG-CD2 4.45Å; F182-L232 HydrophobicContact CE1-CD1 3.56Å; F182-L232 HydrophobicContact CZ-CD1 3.92Å; L224-L232 HydrophobicContact CD2-CD1 4.18Å; G228-L232 WeakPolarHBondContact O-CD1 3.44Å; D229-L232 PolarHBondContact O-N 3.2Å
233L89.2Confident86.3Confident71 Ų7152.5 Ų52.537%0.37229%0.286SS..THydrogen-bonded Turntrans-92.4-14.5-173-55.1-177.4000113R38 L40 D229 C231R38-L233 VanDerWaalsContact NH2-CD1 3.3Å; L40-L233 HydrophobicContact CD2-CD2 3.7Å; D229-L233 WeakPolarHBondContact O-CG 3Å; C231-L233 VanDerWaalsContact C-N 3.3Å; C231-L233 PolarHBondContact O-N 2.95Å
234N87.9Confident86.1Confident46 Ų4652.8 Ų52.825%0.24629%0.286CS..SBendtrans-94.9123.2177.448.4-88.7000110.9F41 E43 C231 R447F41-N234 WeakPolarHBondContact CB-O 3.21Å; E43-N234 PolarHBondContact OE1-ND2 3.48Å; C231-N234 PolarHBondContact O-OD1 3.22Å; N234-R447 PolarHBondContact OD1-NH2 2.99Å
235E87.8Confident86Confident109 Ų10952.7 Ų52.751%0.50929%0.288SS..PPolyproline II helixtrans-64.4131.6166.1-170165.3-158.100109.7F41F41-E235 HydrophobicContact CD1-CB 4.39Å; F41-E235 HydrophobicContact CD1-CG 4.12Å; F41-E235 HydrophobicContact CD2-CB 4.06Å; F41-E235 HydrophobicContact CE1-CB 4.17Å; F41-E235 HydrophobicContact CE1-CG 3.72Å; F41-E235 HydrophobicContact CE2-CB 3.84Å; F41-E235 HydrophobicContact CE2-CG 4.28Å; F41-E235 HydrophobicContact CG-CB 4.32Å; F41-E235 HydrophobicContact CZ-CB 3.87Å; F41-E235 HydrophobicContact CZ-CG 3.8Å
236P88.1Confident86.1Confident14 Ų1447 Ų479%0.09126%0.258CS..PPolyproline II helixtrans-62.1138.8-178.823-34.2000111.1E43 A86 V88 F249E43-P236 HydrophobicContact CG-CB 4.23Å; A86-P236 HydrophobicContact CB-CB 4.13Å; A86-P236 HydrophobicContact CB-CG 3.51Å; V88-P236 HydrophobicContact CG1-CB 4.11Å; P236-F249 HydrophobicContact CG-CD1 4.45Å; P236-F249 HydrophobicContact CG-CE1 3.86Å
237R79.5Confident86.2Confident254 Ų25445.2 Ų45.296%0.95825%0.25SS*.SBendtrans-79.8-20.2-178.5-64.3-179-178.7167.81.7114.1
238A80.9Confident86.4Confident71 Ų7145 Ų4559%0.58725%0.248SC*.  trans-151.5136.4-176.800000109.8
239I85Confident86.4Confident35 Ų3545 Ų4518%0.17925%0.247CC..  trans-118.5136.6178.6-57.9173.9000107.8A86 F249A86-I239 HydrophobicContact CB-CG1 4.35Å; I239-F249 HydrophobicContact CD1-CB 3.39Å; I239-F249 HydrophobicContact CD1-CD1 3.58Å; I239-F249 HydrophobicContact CD1-CD2 3.71Å; I239-F249 HydrophobicContact CD1-CE1 4.26Å; I239-F249 HydrophobicContact CD1-CE2 4.4Å; I239-F249 HydrophobicContact CD1-CG 3.26Å
240V84Confident86.4Confident38 Ų3845.8 Ų45.823%0.2325%0.253CS..THydrogen-bonded Turntrans-70.4135.5-179.2176.20000110.2L87 V88 I90 G242L87-V240 HydrophobicContact CD2-CB 4.31Å; L87-V240 HydrophobicContact CG-CB 4.14Å; L87-V240 HydrophobicContact CG-CG2 4.49Å; L87-V240 WeakPolarHBondContact O-CG2 3.4Å; L87-V240 PolarHBondContact O-N 2.89Å; V88-V240 VanDerWaalsContact C-CG2 3.48Å; I90-V240 HydrophobicContact CD1-CG1 3.65Å; I90-V240 HydrophobicContact CG1-CG1 4.13Å; V240-G242 VanDerWaalsContact C-N 3.26Å; V240-G242 PolarHBondContact O-N 2.77Å
241N79.5Confident86.4Confident85 Ų8546.6 Ų46.646%0.45525%0.253SS..THydrogen-bonded Turntrans63.921.2178.3-57.6-26.6000115.3T68T68-N241 PolarHBondContact OG1-ND2 3.3Å
242G70.2Confident86.2Confident36 Ų3652.7 Ų52.737%0.37129%0.286SS..  trans-82.3161.417400000114.5V240 E251V240-G242 VanDerWaalsContact C-N 3.26Å; V240-G242 PolarHBondContact O-N 2.77Å; G242-E251 VanDerWaalsContact CA-OE1 3.29Å; G242-E251 WeakPolarHBondContact CA-OE1 3.03Å
243P80.7Confident85.9Confident68 Ų6861.2 Ų61.244%0.44233%0.326SS..SBendcis-76.3136.31.329.6-34.7000113.5E251 D252P243-E251 WeakPolarHBondContact CA-OE2 3.44Å; P243-E251 HydrophobicContact CB-CB 3.56Å; P243-D252 VanDerWaalsContact CB-O 3.28Å; P243-D252 WeakPolarHBondContact CB-O 3.31Å; P243-D252 WeakPolarHBondContact CG-O 3.18Å
244L87.5Confident86.1Confident15 Ų1559.3 Ų59.38%0.07932%0.315CS..  trans-136.2102.8-178.5-179.967.7000112.9T68 G246 N247 E251 E254 L733 P734T68-L244 HydrophobicContact CG2-CD2 3.46Å; T68-L244 VanDerWaalsContact CG2-CD2 3.46Å; L244-G246 PolarHBondContact O-N 3.39Å; L244-N247 HydrophobicContact CB-CB 4.47Å; L244-N247 HydrophobicContact CD2-CB 4.32Å; L244-N247 HydrophobicContact CG-CB 4.42Å; L244-N247 WeakPolarHBondContact O-CB 3.42Å; L244-N247 PolarHBondContact O-N 2.95Å; L244-N247 PolarHBondContact O-ND2 2.82Å; L244-N247 PolarHBondContact O-OD1 3.14Å; L244-E251 PolarHBondContact N-OE2 3Å; L244-E254 VanDerWaalsContact C-OE1 3.3Å; L244-L733 HydrophobicContact CD1-CD2 4.21Å; L244-L733 HydrophobicContact CD2-CD2 4.45Å; L244-L733 HydrophobicContact CG-CD2 4.45Å; L244-P734 HydrophobicContact CD1-CG 3.83Å
245C90.2Very high86.3Confident29 Ų2961.8 Ų61.820%0.19633%0.325CS..THydrogen-bonded Turntrans-60.2129.7177.7179.40000113.5E254 C274C245-E254 WeakPolarHBondContact CA-OE1 3.41Å; C245-E254 WeakPolarHBondContact CB-OE1 3.29Å; C245-E254 PolarHBondContact N-OE1 3.48Å; C245-C274 WeakPolarHBondContact CA-SG 3.47Å; C245-C274 HydrophobicContact CB-CB 3.73Å; C245-C274 WeakPolarHBondContact CB-SG 3.45Å; C245-C274 WeakPolarHBondContact SG-CB 3.41Å; C245-C274 PolarHBondContact SG-N 3.01Å; C245-C274 CovalentContact SG-SG 2.03Å; C245-C274 PolarHBondContact SG-SG 2.92Å
246G89.8Confident86.6Confident3 Ų356.6 Ų56.63%0.03130%0.301CS..THydrogen-bonded Turntrans94.65.5-179.900000113.2L244 G248 D257 G259 L260L244-G246 PolarHBondContact O-N 3.39Å; G246-G248 VanDerWaalsContact C-N 3.33Å; G246-D257 WeakPolarHBondContact CA-OD1 3.38Å; G246-D257 WeakPolarHBondContact CA-OD2 3.32Å; G246-D257 PolarHBondContact N-OD1 3.03Å; G246-D257 PolarHBondContact N-OD2 3.28Å; G246-G259 CarbonylContact O-C 3.14Å; G246-G259 WeakPolarHBondContact O-CA 3.33Å; G246-L260 PolarHBondContact O-N 2.92Å
247N89.3Confident86.9Confident11 Ų1156.3 Ų56.36%0.05930%0.298CS..SBendtrans-83.9-8.6173.977.34.9000112.7N75 L244 F249 E251 D257N75-N247 PolarHBondContact ND2-O 2.79Å; L244-N247 HydrophobicContact CB-CB 4.47Å; L244-N247 HydrophobicContact CD2-CB 4.32Å; L244-N247 HydrophobicContact CG-CB 4.42Å; L244-N247 WeakPolarHBondContact O-CB 3.42Å; L244-N247 PolarHBondContact O-N 2.95Å; L244-N247 PolarHBondContact O-ND2 2.82Å; L244-N247 PolarHBondContact O-OD1 3.14Å; N247-F249 WeakPolarHBondContact O-CD2 3.04Å; N247-F249 PolarHBondContact OD1-N 3.33Å; N247-F249 PolarHBondContact OD1-O 2.95Å; N247-E251 PolarHBondContact ND2-OE2 3.07Å; N247-D257 PolarHBondContact N-OD2 3.23Å; N247-D257 PolarHBondContact OD1-OD2 2.83Å; N247-D257 VanDerWaalsContact OD1-OD2 3.12Å
248G89.1Confident87.4Confident2 Ų244.7 Ų44.72%0.02126%0.256CS..SBendtrans86.210.7176.200000115.2R39 G246 D257R39-G248 PolarHBondContact NH2-O 2.95Å; G246-G248 VanDerWaalsContact C-N 3.33Å; G248-D257 PolarHBondContact N-OD1 3.26Å; G248-D257 PolarHBondContact N-OD2 3.41Å
249F90.1Very high88Confident7 Ų741.3 Ų41.33%0.03123%0.228CC..SBendtrans-121.1134.6176.7-66.1-92.1000109.3F41 H84 A86 P236 I239 N247 E251 E254 D257F41-F249 AromaticContact CD1-CE1 3.84Å; F41-F249 HydrophobicContact CD1-CE1 3.84Å; F41-F249 HydrophobicContact CE1-CE1 4.15Å; H84-F249 HydrophobicContact CB-CE1 4.21Å; H84-F249 HydrophobicContact CB-CE2 4.45Å; H84-F249 HydrophobicContact CB-CZ 3.74Å; A86-F249 HydrophobicContact CB-CE1 4.05Å; A86-F249 HydrophobicContact CB-CE2 3.91Å; A86-F249 HydrophobicContact CB-CZ 3.51Å; P236-F249 HydrophobicContact CG-CD1 4.45Å; P236-F249 HydrophobicContact CG-CE1 3.86Å; I239-F249 HydrophobicContact CD1-CB 3.39Å; I239-F249 HydrophobicContact CD1-CD1 3.58Å; I239-F249 HydrophobicContact CD1-CD2 3.71Å; I239-F249 HydrophobicContact CD1-CE1 4.26Å; I239-F249 HydrophobicContact CD1-CE2 4.4Å; I239-F249 HydrophobicContact CD1-CG 3.26Å; N247-F249 WeakPolarHBondContact O-CD2 3.04Å; N247-F249 PolarHBondContact OD1-N 3.33Å; N247-F249 PolarHBondContact OD1-O 2.95Å; F249-E251 HydrophobicContact CB-CG 4.32Å; F249-E251 PolarHBondContact O-N 3.24Å; F249-E254 VanDerWaalsContact O-OE2 3.11Å; F249-D257 WeakPolarHBondContact O-CB 3.04Å
250V89.9Confident88.2Confident51 Ų5140.3 Ų40.331%0.30922%0.223SC..  trans-80.6107177.7-176.70000108.2E254 T284V250-E254 HydrophobicContact CG1-CB 4.43Å; V250-T284 HydrophobicContact CG2-CG2 3.92Å
251E90Very high88.4Confident32 Ų3240.8 Ų40.815%0.1523%0.227CC..  trans-107177.8-178.1-60.5-176.597.700112G242 P243 L244 N247 F249 H253 E254G242-E251 VanDerWaalsContact CA-OE1 3.29Å; G242-E251 WeakPolarHBondContact CA-OE1 3.03Å; P243-E251 WeakPolarHBondContact CA-OE2 3.44Å; P243-E251 HydrophobicContact CB-CB 3.56Å; L244-E251 PolarHBondContact N-OE2 3Å; N247-E251 PolarHBondContact ND2-OE2 3.07Å; F249-E251 HydrophobicContact CB-CG 4.32Å; F249-E251 PolarHBondContact O-N 3.24Å; E251-H253 PolarHBondContact O-N 2.91Å; E251-E254 PolarHBondContact N-OE2 3.06Å; E251-E254 VanDerWaalsContact N-OE2 3.16Å; E251-E254 WeakPolarHBondContact O-CB 3Å; E251-E254 PolarHBondContact O-N 3.26Å
252D87.5Confident88.6Confident130 Ų13040.5 Ų40.570%0.69522%0.223SC*.THydrogen-bonded Turntrans-55.1131.1-180-76.9-21.3000111.3P243 E254P243-D252 VanDerWaalsContact CB-O 3.28Å; P243-D252 WeakPolarHBondContact CB-O 3.31Å; P243-D252 WeakPolarHBondContact CG-O 3.18Å; D252-E254 VanDerWaalsContact C-N 3.33Å
253H87.8Confident89.2Confident179 Ų17940.1 Ų40.183%0.82921%0.213SC*.THydrogen-bonded Turntrans78.8-0.7-176-48.1-62.1000116.9E251E251-H253 PolarHBondContact O-N 2.91Å
254E92.7Very high89.5Confident30 Ų3038.1 Ų38.114%0.1420%0.2CC..  trans-97.4150.5172-61175.7168.700110.3L244 C245 F249 V250 E251 D252 C274L244-E254 VanDerWaalsContact C-OE1 3.3Å; C245-E254 WeakPolarHBondContact CA-OE1 3.41Å; C245-E254 WeakPolarHBondContact CB-OE1 3.29Å; C245-E254 PolarHBondContact N-OE1 3.48Å; F249-E254 VanDerWaalsContact O-OE2 3.11Å; V250-E254 HydrophobicContact CG1-CB 4.43Å; E251-E254 PolarHBondContact N-OE2 3.06Å; E251-E254 VanDerWaalsContact N-OE2 3.16Å; E251-E254 WeakPolarHBondContact O-CB 3Å; E251-E254 PolarHBondContact O-N 3.26Å; D252-E254 VanDerWaalsContact C-N 3.33Å; E254-C274 HydrophobicContact CB-CB 4.06Å; E254-C274 HydrophobicContact CG-CB 3.8Å
255Q93.4Very high89.5Confident99 Ų9943.9 Ų43.946%0.46323%0.232SC..SBendtrans-105.7-17172.8-54.8-177.9-65.200111.9C274 L276Q255-C274 PolarHBondContact N-O 2.03Å; Q255-L276 HydrophobicContact CB-CD1 4.49Å; Q255-L276 HydrophobicContact CB-CG 3.91Å
256C94.1Very high89.5Confident0 Ų043.4 Ų43.40%023%0.227CC..  trans-166.6152.4177.464.10000108.9C269 C274 K275 L276 A283C256-C269 VanDerWaalsContact C-SG 3.55Å; C256-C269 HydrophobicContact CB-CB 3.78Å; C256-C269 WeakPolarHBondContact CB-SG 3.26Å; C256-C269 WeakPolarHBondContact SG-CA 3.45Å; C256-C269 WeakPolarHBondContact SG-CB 3.26Å; C256-C269 CovalentContact SG-SG 2.04Å; C256-C269 PolarHBondContact SG-SG 2.91Å; C256-C274 PolarHBondContact N-O 2.86Å; C256-C274 CarbonylContact O-C 3.52Å; C256-C274 VanDerWaalsContact O-C 3.29Å; C256-C274 WeakPolarHBondContact O-CA 3.37Å; C256-C274 WeakPolarHBondContact O-CB 3.01Å; C256-K275 PolarHBondContact SG-O 3.42Å; C256-L276 HydrophobicContact CB-CD2 4.29Å; C256-A283 HydrophobicContact CB-CB 3.67Å
257D93.1Very high89.6Confident7 Ų746.7 Ų46.74%0.03725%0.248CC..  trans-143.3118166.5-170.6-15.8000108.5G246 N247 G248 F249 G259G246-D257 WeakPolarHBondContact CA-OD1 3.38Å; G246-D257 WeakPolarHBondContact CA-OD2 3.32Å; G246-D257 PolarHBondContact N-OD1 3.03Å; G246-D257 PolarHBondContact N-OD2 3.28Å; N247-D257 PolarHBondContact N-OD2 3.23Å; N247-D257 PolarHBondContact OD1-OD2 2.83Å; N247-D257 VanDerWaalsContact OD1-OD2 3.12Å; G248-D257 PolarHBondContact N-OD1 3.26Å; G248-D257 PolarHBondContact N-OD2 3.41Å; F249-D257 WeakPolarHBondContact O-CB 3.04Å; D257-G259 WeakPolarHBondContact OD1-CA 3.42Å; D257-G259 PolarHBondContact OD1-N 3.3Å
258C91.2Very high89.9Confident10 Ų1046.1 Ų46.17%0.06825%0.245CC..  trans-107.214.1179.2570000112.9Q79 C264 N266 C269Q79-C258 PolarHBondContact NE2-O 3.06Å; C258-C264 HydrophobicContact CB-CB 3.82Å; C258-C264 WeakPolarHBondContact CB-SG 3.34Å; C258-C264 WeakPolarHBondContact SG-CB 3.34Å; C258-C264 CovalentContact SG-SG 2.03Å; C258-C264 PolarHBondContact SG-SG 3.49Å; C258-N266 HydrophobicContact CB-CB 3.74Å; C258-C269 HydrophobicContact CB-CB 4.24Å
259G92.1Very high90.2Very high1 Ų146 Ų461%0.0124%0.244CC..SBendtrans85-161.2-178.100000113.3G246 D257G246-G259 CarbonylContact O-C 3.14Å; G246-G259 WeakPolarHBondContact O-CA 3.33Å; D257-G259 WeakPolarHBondContact OD1-CA 3.42Å; D257-G259 PolarHBondContact OD1-N 3.3Å
260L90.5Very high90.5Very high13 Ų1347.9 Ų47.97%0.06825%0.254CS..SBendtrans-62.7145.7-175.9-65173.9000111.9T72 L73 G246 H262 V263 C264T72-L260 HydrophobicContact CG2-CD1 4.24Å; T72-L260 HydrophobicContact CG2-CD2 3.78Å; T72-L260 HydrophobicContact CG2-CG 4.04Å; L73-L260 HydrophobicContact CD2-CD1 3.91Å; G246-L260 PolarHBondContact O-N 2.92Å; L260-H262 PolarHBondContact O-N 3.07Å; L260-V263 PolarHBondContact O-N 3.17Å; L260-C264 PolarHBondContact O-N 2.82Å
261P88.5Confident90.6Very high49 Ų4946.5 Ų46.532%0.31825%0.246SC..THydrogen-bonded Turntrans-55.9-25.8-174.6-29.634.2000116.9P271 T272P261-P271 HydrophobicContact CB-CB 4.23Å; P261-P271 HydrophobicContact CB-CG 4.05Å; P261-P271 HydrophobicContact CG-CB 4.14Å; P261-P271 HydrophobicContact CG-CG 4.36Å; P261-T272 HydrophobicContact CG-CG2 4.09Å
262H82.5Confident90.7Very high78 Ų7849.2 Ų49.236%0.36127%0.265SS..THydrogen-bonded Turntrans-89.8-9.2-179.964-82.6000113.6L260L260-H262 PolarHBondContact O-N 3.07Å
263V83Confident91Very high29 Ų2946.4 Ų46.418%0.17625%0.252CS..THydrogen-bonded Turntrans-108.6-30.4177.3-175.80000111Q79 L260 D265Q79-V263 HydrophobicContact CB-CG1 4.46Å; Q79-V263 HydrophobicContact CG-CG1 4.33Å; L260-V263 PolarHBondContact O-N 3.17Å; V263-D265 PolarHBondContact O-N 3.05Å; V263-D265 VanDerWaalsContact O-N 3.11Å
264C88.4Confident91.4Very high25 Ų2537.9 Ų37.917%0.16921%0.213CC..  trans-58.9113.8178174.80000112.2C258 L260 P271C258-C264 HydrophobicContact CB-CB 3.82Å; C258-C264 WeakPolarHBondContact CB-SG 3.34Å; C258-C264 WeakPolarHBondContact SG-CB 3.34Å; C258-C264 CovalentContact SG-SG 2.03Å; C258-C264 PolarHBondContact SG-SG 3.49Å; L260-C264 PolarHBondContact O-N 2.82Å; C264-P271 HydrophobicContact CB-CB 3.87Å; C264-P271 HydrophobicContact CB-CG 4.22Å
265D85.5Confident91.5Very high137 Ų13742 Ų4273%0.73323%0.231SC*.  trans-103.2-2.8174.663.4-14.6000112.7V263 P267V263-D265 PolarHBondContact O-N 3.05Å; V263-D265 VanDerWaalsContact O-N 3.11Å; D265-P267 VanDerWaalsContact O-CD 3.26Å; D265-P267 WeakPolarHBondContact O-CD 3.3Å
266N90.7Very high91.7Very high19 Ų1939.4 Ų39.410%0.10222%0.22CC..  trans-72.7110.5-178.7-173.6-19.6000111.5C258 C268 C269 A283C258-N266 HydrophobicContact CB-CB 3.74Å; N266-C268 PolarHBondContact O-N 3.07Å; N266-C268 WeakPolarHBondContact OD1-CA 3.28Å; N266-C268 VanDerWaalsContact OD1-CB 3.25Å; N266-C268 WeakPolarHBondContact OD1-CB 3.3Å; N266-C268 PolarHBondContact OD1-N 2.81Å; N266-C269 HydrophobicContact CB-CB 4.43Å; N266-C269 PolarHBondContact O-N 2.74Å; N266-A283 PolarHBondContact ND2-O 2.98Å
267P91.8Very high91.8Very high71 Ų7143.6 Ų43.646%0.46124%0.238SC..THydrogen-bonded Turntrans-69.3-19.8-17830.2-35000112.5D265 K277 L290D265-P267 VanDerWaalsContact O-CD 3.26Å; D265-P267 WeakPolarHBondContact O-CD 3.3Å; P267-K277 VanDerWaalsContact O-CD 3.29Å; P267-K277 WeakPolarHBondContact O-CD 3Å; P267-K277 PolarHBondContact O-NZ 3.49Å; P267-L290 WeakPolarHBondContact CG-O 3.42Å
268C96.2Very high91.8Very high0 Ų053 Ų530%028%0.282CS..THydrogen-bonded Turntrans-84.5-20.4-174.9-490000113.7N266 K277 A280 C282 A283 L290 C293N266-C268 PolarHBondContact O-N 3.07Å; N266-C268 WeakPolarHBondContact OD1-CA 3.28Å; N266-C268 VanDerWaalsContact OD1-CB 3.25Å; N266-C268 WeakPolarHBondContact OD1-CB 3.3Å; N266-C268 PolarHBondContact OD1-N 2.81Å; C268-K277 PolarHBondContact O-N 2.83Å; C268-A280 HydrophobicContact CB-CB 4.24Å; C268-C282 WeakPolarHBondContact CB-O 3.19Å; C268-A283 HydrophobicContact CB-CB 3.52Å; C268-L290 PolarHBondContact SG-O 2.87Å; C268-C293 WeakPolarHBondContact CA-SG 3.44Å; C268-C293 HydrophobicContact CB-CB 3.67Å; C268-C293 WeakPolarHBondContact CB-SG 3.42Å; C268-C293 WeakPolarHBondContact SG-CA 3.36Å; C268-C293 WeakPolarHBondContact SG-CB 3.47Å; C268-C293 CovalentContact SG-SG 2.03Å; C268-C293 PolarHBondContact SG-SG 3.34Å
269C96.3Very high91.9Very high0 Ų055.5 Ų55.50%031%0.309CS..EExtended strand (participates in β ladder)trans-105.9141.2-178.2-166.30000112.1C256 C258 N266 P271 K277 A283C256-C269 VanDerWaalsContact C-SG 3.55Å; C256-C269 HydrophobicContact CB-CB 3.78Å; C256-C269 WeakPolarHBondContact CB-SG 3.26Å; C256-C269 WeakPolarHBondContact SG-CA 3.45Å; C256-C269 WeakPolarHBondContact SG-CB 3.26Å; C256-C269 CovalentContact SG-SG 2.04Å; C256-C269 PolarHBondContact SG-SG 2.91Å; C258-C269 HydrophobicContact CB-CB 4.24Å; N266-C269 HydrophobicContact CB-CB 4.43Å; N266-C269 PolarHBondContact O-N 2.74Å; C269-P271 WeakPolarHBondContact O-CD 3Å; C269-K277 WeakPolarHBondContact O-CE 3.4Å; C269-K277 PolarHBondContact O-NZ 2.77Å; C269-A283 HydrophobicContact CB-CB 4.13Å
270D95.4Very high92.2Very high46 Ų4656.3 Ų56.325%0.24632%0.316CS..EExtended strand (participates in β ladder)trans-90.3108.1164.3177.2-0.4000109.6T272 T273 C274 K275 K277D270-T272 PolarHBondContact O-N 2.72Å; D270-T272 VanDerWaalsContact O-N 3.13Å; D270-T272 PolarHBondContact OD1-N 3.34Å; D270-T272 PolarHBondContact OD1-OG1 2.78Å; D270-T273 WeakPolarHBondContact CB-OG1 3.41Å; D270-T273 PolarHBondContact O-N 2.91Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.25Å; D270-T273 PolarHBondContact OD2-OG1 3.11Å; D270-C274 WeakPolarHBondContact O-CA 3.29Å; D270-C274 PolarHBondContact O-N 2.04Å; D270-K275 PolarHBondContact N-O 3.19Å; D270-K277 HydrophobicContact CB-CG 4.42Å
271P92.7Very high92.4Very high22 Ų2258.2 Ų58.214%0.14333%0.333CS..THydrogen-bonded Turntrans-68.6-11.5-175.528.6-35.9000114P261 C264 C269P261-P271 HydrophobicContact CB-CB 4.23Å; P261-P271 HydrophobicContact CB-CG 4.05Å; P261-P271 HydrophobicContact CG-CB 4.14Å; P261-P271 HydrophobicContact CG-CG 4.36Å; C264-P271 HydrophobicContact CB-CB 3.87Å; C264-P271 HydrophobicContact CB-CG 4.22Å; C269-P271 WeakPolarHBondContact O-CD 3Å
272T92.1Very high92.8Very high89 Ų8955.9 Ų55.955%0.54632%0.318SS..THydrogen-bonded Turntrans-93.3-21.3179.362.50000113.1P261 D270P261-T272 HydrophobicContact CG-CG2 4.09Å; D270-T272 PolarHBondContact O-N 2.72Å; D270-T272 VanDerWaalsContact O-N 3.13Å; D270-T272 PolarHBondContact OD1-N 3.34Å; D270-T272 PolarHBondContact OD1-OG1 2.78Å
273T94Very high93.3Very high70 Ų7052.2 Ų52.243%0.42930%0.301SS..THydrogen-bonded Turntrans-121.2-8.1-17764.70000113.5D270 K275D270-T273 WeakPolarHBondContact CB-OG1 3.41Å; D270-T273 PolarHBondContact O-N 2.91Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.25Å; D270-T273 PolarHBondContact OD2-OG1 3.11Å; T273-K275 WeakPolarHBondContact O-CG 3.27Å; T273-K275 PolarHBondContact O-N 3.3Å
274C95.1Very high93.6Very high1 Ų151.5 Ų51.51%0.00730%0.297CS..THydrogen-bonded Turntrans51.639.8-176-70.40000112.8C245 E254 Q255 C256 D270C245-C274 WeakPolarHBondContact CA-SG 3.47Å; C245-C274 HydrophobicContact CB-CB 3.73Å; C245-C274 WeakPolarHBondContact CB-SG 3.45Å; C245-C274 WeakPolarHBondContact SG-CB 3.41Å; C245-C274 PolarHBondContact SG-N 3.01Å; C245-C274 CovalentContact SG-SG 2.03Å; C245-C274 PolarHBondContact SG-SG 2.92Å; E254-C274 HydrophobicContact CB-CB 4.06Å; E254-C274 HydrophobicContact CG-CB 3.8Å; Q255-C274 PolarHBondContact N-O 2.03Å; C256-C274 PolarHBondContact N-O 2.86Å; C256-C274 CarbonylContact O-C 3.52Å; C256-C274 VanDerWaalsContact O-C 3.29Å; C256-C274 WeakPolarHBondContact O-CA 3.37Å; C256-C274 WeakPolarHBondContact O-CB 3.01Å; D270-C274 WeakPolarHBondContact O-CA 3.29Å; D270-C274 PolarHBondContact O-N 2.04Å
275K95.8Very high93.6Very high116 Ų11651.6 Ų51.650%0.50430%0.302SS..EExtended strand (participates in β ladder)trans-123.7155179.3-72.5176.9-176-179.80110.9C256 D270 T273C256-K275 PolarHBondContact SG-O 3.42Å; D270-K275 PolarHBondContact N-O 3.19Å; T273-K275 WeakPolarHBondContact O-CG 3.27Å; T273-K275 PolarHBondContact O-N 3.3Å
276L96.7Very high93.9Very high45 Ų4549.6 Ų49.624%0.23629%0.291CS..EExtended strand (participates in β ladder)trans-64136.1175.5-64.3177.8000110.4Q255 C256 A280 A283Q255-L276 HydrophobicContact CB-CD1 4.49Å; Q255-L276 HydrophobicContact CB-CG 3.91Å; C256-L276 HydrophobicContact CB-CD2 4.29Å; L276-A280 HydrophobicContact CB-CB 4.18Å; L276-A280 HydrophobicContact CD2-CB 4.46Å; L276-A283 HydrophobicContact CD2-CB 3.36Å
277K95.8Very high94.1Very high88 Ų8848.8 Ų48.838%0.38329%0.287SS..PPolyproline II helixtrans-66.3159170.5-65.9-151.2-173.7101.20110.7P267 C268 C269 D270 G279 A280P267-K277 VanDerWaalsContact O-CD 3.29Å; P267-K277 WeakPolarHBondContact O-CD 3Å; P267-K277 PolarHBondContact O-NZ 3.49Å; C268-K277 PolarHBondContact O-N 2.83Å; C269-K277 WeakPolarHBondContact O-CE 3.4Å; C269-K277 PolarHBondContact O-NZ 2.77Å; D270-K277 HydrophobicContact CB-CG 4.42Å; K277-G279 PolarHBondContact O-N 3.1Å; K277-A280 VanDerWaalsContact O-CB 3.29Å; K277-A280 WeakPolarHBondContact O-CB 3.44Å; K277-A280 PolarHBondContact O-N 2.98Å
278Q94.3Very high94.2Very high205 Ų20545.7 Ų45.796%0.95827%0.267SS*.THydrogen-bonded Turntrans-56.6124.9-179.1-171.4177.233.800111.5A280Q278-A280 VanDerWaalsContact C-N 3.34Å
279G93.6Very high94.2Very high62 Ų6248.4 Ų48.464%0.63928%0.281SS*.THydrogen-bonded Turntrans87.9-7.5-179.600000115K277 Q294K277-G279 PolarHBondContact O-N 3.1Å; G279-Q294 PolarHBondContact O-NE2 3.36Å
280A96.6Very high93.9Very high18 Ų1852.2 Ų52.215%0.14930%0.301CS..  trans-76128.8172.200000110.4C268 L276 K277 Q278 C293C268-A280 HydrophobicContact CB-CB 4.24Å; L276-A280 HydrophobicContact CB-CB 4.18Å; L276-A280 HydrophobicContact CD2-CB 4.46Å; K277-A280 VanDerWaalsContact O-CB 3.29Å; K277-A280 WeakPolarHBondContact O-CB 3.44Å; K277-A280 PolarHBondContact O-N 2.98Å; Q278-A280 VanDerWaalsContact C-N 3.34Å; A280-C293 HydrophobicContact CB-CB 3.59Å
281A95.8Very high93.7Very high53 Ų5354.7 Ų54.744%0.43832%0.322SS..SBendtrans-90.6-24.7171.500000112C293A281-C293 PolarHBondContact N-O 3.26Å
282C95.8Very high93.8Very high0 Ų057.2 Ų57.20%034%0.337CS..  trans-150.4159.7-179.862.30000109.3C268 C288 C293 Q294 L295 E320C268-C282 WeakPolarHBondContact CB-O 3.19Å; C282-C288 HydrophobicContact CB-CB 3.67Å; C282-C288 WeakPolarHBondContact CB-SG 3.49Å; C282-C288 PolarHBondContact O-SG 3.14Å; C282-C288 WeakPolarHBondContact SG-CA 3.06Å; C282-C288 WeakPolarHBondContact SG-CB 3.19Å; C282-C288 CovalentContact SG-SG 2.04Å; C282-C288 PolarHBondContact SG-SG 2.88Å; C282-C293 PolarHBondContact N-O 3.32Å; C282-Q294 PolarHBondContact SG-O 3.49Å; C282-Q294 VanDerWaalsContact SG-O 3.38Å; C282-L295 HydrophobicContact CB-CD2 3.81Å; C282-E320 VanDerWaalsContact CA-OE2 3.23Å; C282-E320 WeakPolarHBondContact CA-OE2 3.25Å; C282-E320 HydrophobicContact CB-CB 3.64Å; C282-E320 HydrophobicContact CB-CG 4.47Å; C282-E320 WeakPolarHBondContact CB-OE2 3.5Å
283A94.4Very high94Very high1 Ų153.9 Ų53.91%0.00832%0.317CS..SBendtrans-141.90.6170.300000112.8C256 N266 C268 C269 L276 L290 E320C256-A283 HydrophobicContact CB-CB 3.67Å; N266-A283 PolarHBondContact ND2-O 2.98Å; C268-A283 HydrophobicContact CB-CB 3.52Å; C269-A283 HydrophobicContact CB-CB 4.13Å; L276-A283 HydrophobicContact CD2-CB 3.36Å; A283-L290 WeakPolarHBondContact O-CD2 3.46Å; A283-E320 PolarHBondContact N-OE2 3.17Å
284T89.1Confident94.2Very high14 Ų1454.8 Ų54.89%0.08632%0.317CS..SBendtrans-143.3164.3-174.234.60000110.7V250 C288 E320V250-T284 HydrophobicContact CG2-CG2 3.92Å; T284-C288 WeakPolarHBondContact O-CB 3.38Å; T284-E320 VanDerWaalsContact O-CB 3.26Å; T284-E320 WeakPolarHBondContact O-CB 3.43Å; T284-E320 VanDerWaalsContact O-CD 3.27Å; T284-E320 VanDerWaalsContact O-CG 3.3Å; T284-E320 WeakPolarHBondContact O-CG 3.16Å; T284-E320 PolarHBondContact OG1-OE1 2.88Å
285G88.7Confident94.2Very high26 Ų2657.3 Ų57.327%0.26833%0.33SS..SBendtrans82.8153.517600000115.4C287 C288 E320G285-C287 PolarHBondContact O-N 3.05Å; G285-C287 VanDerWaalsContact O-N 3.17Å; G285-C288 WeakPolarHBondContact O-CB 2.88Å; G285-C288 PolarHBondContact O-N 3.21Å; G285-E320 CarbonylContact C-O 3.48Å; G285-E320 VanDerWaalsContact CA-O 3.28Å; G285-E320 WeakPolarHBondContact CA-O 3.45Å
286D90.4Very high94.2Very high96 Ų9655.3 Ų55.351%0.51332%0.321SS..THydrogen-bonded Turntrans-67.9-15.9-173-57.6-49.9000113.8K296 C302 E320 C322D286-K296 WeakPolarHBondContact O-CD 3.42Å; D286-K296 WeakPolarHBondContact O-CE 3.32Å; D286-K296 PolarHBondContact O-NZ 2.53Å; D286-C302 HydrophobicContact CB-CB 4.06Å; D286-E320 PolarHBondContact N-O 2.84Å; D286-C322 HydrophobicContact CB-CB 4.31Å
287C95.5Very high94Very high1 Ų160.9 Ų60.91%0.00735%0.346CS..THydrogen-bonded Turntrans-96.69.1175-68.40000113.4G285 K296 C302 C315 T319 E320G285-C287 PolarHBondContact O-N 3.05Å; G285-C287 VanDerWaalsContact O-N 3.17Å; C287-K296 PolarHBondContact O-N 3.23Å; C287-C302 VanDerWaalsContact SG-CB 3.55Å; C287-C315 WeakPolarHBondContact CA-SG 3.45Å; C287-C315 HydrophobicContact CB-CB 3.82Å; C287-C315 WeakPolarHBondContact CB-SG 3.29Å; C287-C315 WeakPolarHBondContact SG-CA 3.37Å; C287-C315 WeakPolarHBondContact SG-CB 3.31Å; C287-C315 CovalentContact SG-SG 2.04Å; C287-C315 PolarHBondContact SG-SG 2.04Å; C287-T319 WeakPolarHBondContact CB-O 3.01Å; C287-E320 CarbonylContact C-O 3.5Å; C287-E320 WeakPolarHBondContact CA-O 3.36Å; C287-E320 WeakPolarHBondContact CB-O 3.26Å; C287-E320 PolarHBondContact N-O 3.01Å
288C95.1Very high93.8Very high6 Ų658.8 Ų58.84%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-95.9135.2166.9-169.70000111.6C282 T284 G285 L290 E320C282-C288 HydrophobicContact CB-CB 3.67Å; C282-C288 WeakPolarHBondContact CB-SG 3.49Å; C282-C288 PolarHBondContact O-SG 3.14Å; C282-C288 WeakPolarHBondContact SG-CA 3.06Å; C282-C288 WeakPolarHBondContact SG-CB 3.19Å; C282-C288 CovalentContact SG-SG 2.04Å; C282-C288 PolarHBondContact SG-SG 2.88Å; T284-C288 WeakPolarHBondContact O-CB 3.38Å; G285-C288 WeakPolarHBondContact O-CB 2.88Å; G285-C288 PolarHBondContact O-N 3.21Å; C288-L290 HydrophobicContact CB-CD2 4.3Å; C288-L290 PolarHBondContact O-N 2.87Å; C288-E320 HydrophobicContact CB-CB 4.23Å
289N94.3Very high93.8Very high58 Ų5850 Ų5031%0.3130%0.303SS..EExtended strand (participates in β ladder)trans-88.699.1165-176.2-24.4000109S291 T292 C293 Q294 K296N289-S291 PolarHBondContact O-N 3.43Å; N289-S291 VanDerWaalsContact O-N 3.11Å; N289-S291 PolarHBondContact OD1-N 3.01Å; N289-S291 PolarHBondContact OD1-OG 3.35Å; N289-T292 WeakPolarHBondContact CB-OG1 3.35Å; N289-T292 VanDerWaalsContact CG-OG1 3.3Å; N289-T292 PolarHBondContact O-N 2.84Å; N289-T292 VanDerWaalsContact O-N 3.15Å; N289-T292 PolarHBondContact O-OG1 2.94Å; N289-T292 PolarHBondContact OD1-N 3.07Å; N289-C293 WeakPolarHBondContact O-CA 3.08Å; N289-C293 PolarHBondContact O-N 2.69Å; N289-Q294 WeakPolarHBondContact CB-O 3.37Å; N289-Q294 PolarHBondContact N-O 2.89Å; N289-K296 HydrophobicContact CB-CG 4.41Å
290L91.1Very high93.8Very high80 Ų8048.9 Ų48.942%0.41929%0.285SS..THydrogen-bonded Turntrans-65.4-13.1-176.8-60.1179.8000114.4P267 C268 A283 C288P267-L290 WeakPolarHBondContact CG-O 3.42Å; C268-L290 PolarHBondContact SG-O 2.87Å; A283-L290 WeakPolarHBondContact O-CD2 3.46Å; C288-L290 HydrophobicContact CB-CD2 4.3Å; C288-L290 PolarHBondContact O-N 2.87Å
291S91.4Very high93.7Very high97 Ų9751.7 Ų51.768%0.67830%0.301SS*.THydrogen-bonded Turntrans-84.8-30.9175.471.70000112.9N289N289-S291 PolarHBondContact O-N 3.43Å; N289-S291 VanDerWaalsContact O-N 3.11Å; N289-S291 PolarHBondContact OD1-N 3.01Å; N289-S291 PolarHBondContact OD1-OG 3.35Å
292T94.9Very high93.6Very high76 Ų7650.1 Ų50.147%0.46629%0.286SS..THydrogen-bonded Turntrans-106-11.5179.662.10000112.9N289 Q294N289-T292 WeakPolarHBondContact CB-OG1 3.35Å; N289-T292 VanDerWaalsContact CG-OG1 3.3Å; N289-T292 PolarHBondContact O-N 2.84Å; N289-T292 VanDerWaalsContact O-N 3.15Å; N289-T292 PolarHBondContact O-OG1 2.94Å; N289-T292 PolarHBondContact OD1-N 3.07Å; T292-Q294 PolarHBondContact O-N 3.15Å; T292-Q294 PolarHBondContact OG1-N 3.29Å
293C96.9Very high93.5Very high19 Ų1952.1 Ų52.113%0.12829%0.294CS..THydrogen-bonded Turntrans56.329.1-172.5-490000113.3C268 A280 A281 C282 N289C268-C293 WeakPolarHBondContact CA-SG 3.44Å; C268-C293 HydrophobicContact CB-CB 3.67Å; C268-C293 WeakPolarHBondContact CB-SG 3.42Å; C268-C293 WeakPolarHBondContact SG-CA 3.36Å; C268-C293 WeakPolarHBondContact SG-CB 3.47Å; C268-C293 CovalentContact SG-SG 2.03Å; C268-C293 PolarHBondContact SG-SG 3.34Å; A280-C293 HydrophobicContact CB-CB 3.59Å; A281-C293 PolarHBondContact N-O 3.26Å; C282-C293 PolarHBondContact N-O 3.32Å; N289-C293 WeakPolarHBondContact O-CA 3.08Å; N289-C293 PolarHBondContact O-N 2.69Å
294Q97Very high93.4Very high88 Ų8855.9 Ų55.941%0.41132%0.318SS..EExtended strand (participates in β ladder)trans-117154.7178.2-59.2-54-46.600110.7G279 C282 N289 T292G279-Q294 PolarHBondContact O-NE2 3.36Å; C282-Q294 PolarHBondContact SG-O 3.49Å; C282-Q294 VanDerWaalsContact SG-O 3.38Å; N289-Q294 WeakPolarHBondContact CB-O 3.37Å; N289-Q294 PolarHBondContact N-O 2.89Å; T292-Q294 PolarHBondContact O-N 3.15Å; T292-Q294 PolarHBondContact OG1-N 3.29Å
295L96.2Very high93.6Very high54 Ų5460.5 Ų60.528%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-62141.5173.1-60.9178.3000110.5C282 E320C282-L295 HydrophobicContact CB-CD2 3.81Å; L295-E320 HydrophobicContact CD2-CB 3.72Å
296K94.5Very high93.6Very high75 Ų7564.5 Ų64.533%0.32635%0.353SS..PPolyproline II helixtrans-63.9150.2171.5-69.6-174.8-176169.90109.8D286 C287 N289 C315 G317D286-K296 WeakPolarHBondContact O-CD 3.42Å; D286-K296 WeakPolarHBondContact O-CE 3.32Å; D286-K296 PolarHBondContact O-NZ 2.53Å; C287-K296 PolarHBondContact O-N 3.23Å; N289-K296 HydrophobicContact CB-CG 4.41Å; K296-C315 HydrophobicContact CB-CB 4.44Å; K296-G317 WeakPolarHBondContact O-CA 3.31Å
297E92.6Very high93.7Very high161 Ų16162.3 Ų62.375%0.75235%0.353SS*.PPolyproline II helixtrans-63.1151.7178.8-63.6-174.9174.900111.3S300E297-S300 VanDerWaalsContact O-CB 3.28Å; E297-S300 WeakPolarHBondContact O-CB 3.5Å; E297-S300 PolarHBondContact O-N 2.97Å; E297-S300 PolarHBondContact O-OG 2.78Å
298T92.6Very high93.7Very high44 Ų4467 Ų6727%0.2738%0.375SS..THydrogen-bonded Turntrans-56.6146176.2-142.60000110.2S300 C315 D316 A525T298-S300 PolarHBondContact O-N 3.49Å; T298-C315 CarbonylContact C-O 3.17Å; T298-C315 WeakPolarHBondContact CA-O 3.44Å; T298-D316 VanDerWaalsContact OG1-C 3.32Å; T298-D316 PolarHBondContact OG1-O 2.83Å; T298-A525 HydrophobicContact CG2-CB 4.16Å
299A93.6Very high93.8Very high21 Ų2166.7 Ų66.717%0.17437%0.374CS..THydrogen-bonded Turntrans67.511.2-175.100000116.3V301 C315 P522A299-V301 PolarHBondContact O-N 2.96Å; A299-C315 PolarHBondContact N-O 3.26Å; A299-P522 WeakPolarHBondContact CA-O 3.4Å; A299-P522 VanDerWaalsContact CB-O 3.24Å; A299-P522 WeakPolarHBondContact CB-O 3.05Å
300S94.5Very high93.9Very high38 Ų3864.3 Ų64.327%0.26636%0.361SS..  trans-69.3126.3164-58.70000109.3E297 T298 C302 Y314 C315E297-S300 VanDerWaalsContact O-CB 3.28Å; E297-S300 WeakPolarHBondContact O-CB 3.5Å; E297-S300 PolarHBondContact O-N 2.97Å; E297-S300 PolarHBondContact O-OG 2.78Å; T298-S300 PolarHBondContact O-N 3.49Å; S300-C302 PolarHBondContact O-N 2.01Å; S300-Y314 CarbonylContact O-C 3.58Å; S300-Y314 WeakPolarHBondContact O-CA 3.44Å; S300-C315 PolarHBondContact O-N 3.24Å
301V93.9Very high94.1Very high78 Ų7860.8 Ų60.847%0.47334%0.342SS..EExtended strand (participates in β ladder)trans-64.8119.1174.6-179.50000108.9A299 P304 Y314A299-V301 PolarHBondContact O-N 2.96Å; V301-P304 HydrophobicContact CG1-CB 4.33Å; V301-Y314 HydrophobicContact CG2-CD1 3.83Å; V301-Y314 HydrophobicContact CG2-CE1 3.61Å
302C93.8Very high94.3Very high20 Ų2056.9 Ų56.914%0.13532%0.315CS..EExtended strand (participates in β ladder)trans-98.5-31.8172.752.10000112.3D286 C287 S300 E313 C322 P323D286-C302 HydrophobicContact CB-CB 4.06Å; C287-C302 VanDerWaalsContact SG-CB 3.55Å; S300-C302 PolarHBondContact O-N 2.01Å; C302-E313 PolarHBondContact N-O 3.39Å; C302-E313 PolarHBondContact SG-O 2.76Å; C302-C322 HydrophobicContact CB-CB 3.64Å; C302-C322 WeakPolarHBondContact CB-SG 3.26Å; C302-C322 WeakPolarHBondContact SG-CA 3.46Å; C302-C322 WeakPolarHBondContact SG-CB 3.3Å; C302-C322 CovalentContact SG-SG 2.04Å; C302-C322 PolarHBondContact SG-SG 3.34Å; C302-P323 VanDerWaalsContact SG-CD 3.57Å
303R93.1Very high94.4Very high41 Ų4153.3 Ų53.316%0.15529%0.293CS..EExtended strand (participates in β ladder)trans-132.3118.6169.6-166.5-174.471.7103.311.6109.7D310 L311 P312 E313 D325 T326R303-D310 IonicContact CZ-OD1 3.08Å; R303-D310 IonicContact CZ-OD2 3.09Å; R303-D310 IonicContact NH1-OD1 2.77Å; R303-D310 PolarHBondContact NH1-OD1 3.17Å; R303-D310 IonicContact NH1-OD2 3.91Å; R303-D310 PolarHBondContact NH1-OD2 3.21Å; R303-D310 IonicContact NH2-OD1 3.97Å; R303-D310 PolarHBondContact NH2-OD1 3.11Å; R303-D310 IonicContact NH2-OD2 2.62Å; R303-D310 PolarHBondContact NH2-OD2 2.03Å; R303-L311 PolarHBondContact NH2-O 2.77Å; R303-P312 WeakPolarHBondContact O-CA 3.49Å; R303-E313 HydrophobicContact CB-CB 4.3Å; R303-E313 IonicContact CZ-OE1 3.37Å; R303-E313 IonicContact CZ-OE2 3.45Å; R303-E313 PolarHBondContact N-O 3.24Å; R303-E313 IonicContact NE-OE2 2.86Å; R303-E313 PolarHBondContact NE-OE2 3.02Å; R303-E313 VanDerWaalsContact NH2-CD 3.29Å; R303-E313 IonicContact NH2-OE1 3.15Å; R303-E313 PolarHBondContact NH2-OE1 3.43Å; R303-E313 VanDerWaalsContact NH2-OE1 3.09Å; R303-E313 IonicContact NH2-OE2 2.77Å; R303-E313 PolarHBondContact NH2-OE2 2.78Å; R303-E313 PolarHBondContact O-N 3.46Å; R303-D325 IonicContact CZ-OD1 3.3Å; R303-D325 IonicContact CZ-OD2 3.67Å; R303-D325 VanDerWaalsContact CZ-OD2 3.28Å; R303-D325 IonicContact NE-OD1 2.75Å; R303-D325 IonicContact NE-OD2 3.21Å; R303-D325 IonicContact NH1-OD1 3.38Å; R303-D325 PolarHBondContact NH1-OD1 3.05Å; R303-D325 IonicContact NH1-OD2 2.91Å; R303-D325 PolarHBondContact NH1-OD2 3.06Å; R303-D325 IonicContact NH2-OD1 3.41Å; R303-D325 PolarHBondContact NH2-OD1 3.47Å; R303-D325 IonicContact NH2-OD2 3.16Å; R303-T326 PolarHBondContact NH2-O 3.39Å
304P92.6Very high94.4Very high80 Ų8053.9 Ų53.952%0.51929%0.292SS..  trans-74.2156.5172.831.5-33.8000110.9V301 L306V301-P304 HydrophobicContact CG1-CB 4.33Å; P304-L306 PolarHBondContact O-N 2.92Å
305E92.2Very high94.4Very high111 Ų11149.7 Ų49.752%0.51927%0.273SS..  trans-63.3132.7172.960.8-177.5-169.700111.7D310 P312E305-D310 HydrophobicContact CB-CB 4.5Å; E305-P312 HydrophobicContact CB-CB 4.48Å
306L89.8Confident94.3Very high110 Ų11049.4 Ų49.458%0.57627%0.272SS*.  trans-10181176.6-59.6-179.5000111.2P304 D310P304-L306 PolarHBondContact O-N 2.92Å; L306-D310 HydrophobicContact CB-CB 4.38Å; L306-D310 VanDerWaalsContact CB-OD2 3.31Å; L306-D310 WeakPolarHBondContact CB-OD2 3.41Å; L306-D310 PolarHBondContact N-OD2 3.35Å
307G92.4Very high94.2Very high50 Ų5047.3 Ų47.352%0.51527%0.271SS..SBendtrans86-176.6177.700000113.5C309 D310G307-C309 VanDerWaalsContact C-N 3.28Å; G307-C309 PolarHBondContact O-N 3.43Å; G307-D310 PolarHBondContact O-N 3.13Å
308E95.6Very high94.2Very high99 Ų9947.8 Ų47.846%0.46327%0.271SS..THydrogen-bonded Turntrans-66.2-23.7-166.2-170.8-17817400114.6K328 C334 A335E308-K328 VanDerWaalsContact O-CD 3.31Å; E308-K328 WeakPolarHBondContact O-CD 3.49Å; E308-K328 WeakPolarHBondContact O-CE 3.32Å; E308-K328 PolarHBondContact O-NZ 2.95Å; E308-C334 HydrophobicContact CG-CB 4.35Å; E308-C334 WeakPolarHBondContact OE1-CA 2.87Å; E308-C334 WeakPolarHBondContact OE2-CB 3.45Å; E308-A335 PolarHBondContact OE2-N 3.47Å
309C96.6Very high94.2Very high1 Ų148.7 Ų48.71%0.00728%0.276CS..THydrogen-bonded Turntrans-102.2-2.9-173.4-66.70000114G307 K328 C341 G344 C346G307-C309 VanDerWaalsContact C-N 3.28Å; G307-C309 PolarHBondContact O-N 3.43Å; C309-K328 WeakPolarHBondContact O-CB 3.36Å; C309-K328 WeakPolarHBondContact O-CG 3.29Å; C309-K328 PolarHBondContact O-N 3.47Å; C309-C341 HydrophobicContact CB-CB 3.66Å; C309-C341 WeakPolarHBondContact CB-SG 3.5Å; C309-C341 WeakPolarHBondContact SG-CA 2.99Å; C309-C341 WeakPolarHBondContact SG-CB 3.38Å; C309-C341 CovalentContact SG-SG 2.03Å; C309-C341 PolarHBondContact SG-SG 3.01Å; C309-G344 CarbonylContact C-O 3.6Å; C309-G344 VanDerWaalsContact CB-C 3.49Å; C309-G344 VanDerWaalsContact CB-O 3.25Å; C309-G344 WeakPolarHBondContact CB-O 3.48Å; C309-C346 VanDerWaalsContact SG-CA 3.57Å
310D96.8Very high94.2Very high8 Ų849 Ų494%0.04327%0.274CS..BIsolated β-bridgetrans-96.7164.3179.1-164.919.5000110.6R303 E305 L306 G307R303-D310 IonicContact CZ-OD1 3.08Å; R303-D310 IonicContact CZ-OD2 3.09Å; R303-D310 IonicContact NH1-OD1 2.77Å; R303-D310 PolarHBondContact NH1-OD1 3.17Å; R303-D310 IonicContact NH1-OD2 3.91Å; R303-D310 PolarHBondContact NH1-OD2 3.21Å; R303-D310 IonicContact NH2-OD1 3.97Å; R303-D310 PolarHBondContact NH2-OD1 3.11Å; R303-D310 IonicContact NH2-OD2 2.62Å; R303-D310 PolarHBondContact NH2-OD2 2.03Å; E305-D310 HydrophobicContact CB-CB 4.5Å; L306-D310 HydrophobicContact CB-CB 4.38Å; L306-D310 VanDerWaalsContact CB-OD2 3.31Å; L306-D310 WeakPolarHBondContact CB-OD2 3.41Å; L306-D310 PolarHBondContact N-OD2 3.35Å; G307-D310 PolarHBondContact O-N 3.13Å
311L95.9Very high94.1Very high6 Ų652.8 Ų52.83%0.03128%0.283CS..  trans-123.2152.7175.5-62.8168.6000110R303 T326 K328 N493 H499R303-L311 PolarHBondContact NH2-O 2.77Å; L311-T326 WeakPolarHBondContact CB-O 3.47Å; L311-T326 PolarHBondContact N-O 3.4Å; L311-K328 HydrophobicContact CD2-CG 3.86Å; L311-K328 HydrophobicContact CG-CG 4.07Å; L311-N493 HydrophobicContact CD1-CB 3.69Å; L311-H499 HydrophobicContact CD1-CB 3.94Å; L311-H499 HydrophobicContact CD2-CB 4.36Å
312P95.9Very high94.1Very high15 Ų1550.4 Ų50.410%0.09727%0.27CS..  trans-82.6154.3175.832.8-34.3000112.3R303 E305 Y314 H499 S520R303-P312 WeakPolarHBondContact O-CA 3.49Å; E305-P312 HydrophobicContact CB-CB 4.48Å; P312-Y314 HydrophobicContact CB-CE2 4.3Å; P312-Y314 HydrophobicContact CG-CE2 3.96Å; P312-Y314 VanDerWaalsContact CG-OH 3.25Å; P312-Y314 WeakPolarHBondContact CG-OH 3.33Å; P312-H499 PolarHBondContact O-CE1 3.33Å; P312-S520 WeakPolarHBondContact O-CB 3.48Å
313E96.7Very high94.1Very high0 Ų051.1 Ų51.10%028%0.275CS..EExtended strand (participates in β ladder)trans-119.9145.4173.3-7170.9-15800111.8C302 R303 P323 T326 S520C302-E313 PolarHBondContact N-O 3.39Å; C302-E313 PolarHBondContact SG-O 2.76Å; R303-E313 HydrophobicContact CB-CB 4.3Å; R303-E313 IonicContact CZ-OE1 3.37Å; R303-E313 IonicContact CZ-OE2 3.45Å; R303-E313 PolarHBondContact N-O 3.24Å; R303-E313 IonicContact NE-OE2 2.86Å; R303-E313 PolarHBondContact NE-OE2 3.02Å; R303-E313 VanDerWaalsContact NH2-CD 3.29Å; R303-E313 IonicContact NH2-OE1 3.15Å; R303-E313 PolarHBondContact NH2-OE1 3.43Å; R303-E313 VanDerWaalsContact NH2-OE1 3.09Å; R303-E313 IonicContact NH2-OE2 2.77Å; R303-E313 PolarHBondContact NH2-OE2 2.78Å; R303-E313 PolarHBondContact O-N 3.46Å; E313-P323 HydrophobicContact CB-CB 4.49Å; E313-P323 HydrophobicContact CG-CB 4.28Å; E313-T326 PolarHBondContact OE1-N 2.55Å; E313-T326 PolarHBondContact OE1-OG1 2.81Å; E313-S520 WeakPolarHBondContact CA-O 3.1Å
314Y96.3Very high94.1Very high31 Ų3158 Ų5812%0.12231%0.306CS..EExtended strand (participates in β ladder)trans-124.8139.7-171-53.5-86.2000110.9S300 V301 P312 D316 P323 S520 P522 A523S300-Y314 CarbonylContact O-C 3.58Å; S300-Y314 WeakPolarHBondContact O-CA 3.44Å; V301-Y314 HydrophobicContact CG2-CD1 3.83Å; V301-Y314 HydrophobicContact CG2-CE1 3.61Å; P312-Y314 HydrophobicContact CB-CE2 4.3Å; P312-Y314 HydrophobicContact CG-CE2 3.96Å; P312-Y314 VanDerWaalsContact CG-OH 3.25Å; P312-Y314 WeakPolarHBondContact CG-OH 3.33Å; Y314-D316 PolarHBondContact O-N 3.27Å; Y314-P323 WeakPolarHBondContact O-CD 3.05Å; Y314-P323 WeakPolarHBondContact O-CG 3.23Å; Y314-S520 WeakPolarHBondContact CD2-O 3.4Å; Y314-S520 PolarHBondContact N-O 3.4Å; Y314-P522 WeakPolarHBondContact CB-O 3.23Å; Y314-A523 HydrophobicContact CD2-CB 4.16Å; Y314-A523 HydrophobicContact CE1-CB 4.1Å; Y314-A523 HydrophobicContact CE2-CB 3.62Å
315C96.2Very high94Very high0 Ų058.4 Ų58.40%030%0.303CS..  trans-61.1135.9170.4-61.70000110.6C287 K296 T298 A299 S300C287-C315 WeakPolarHBondContact CA-SG 3.45Å; C287-C315 HydrophobicContact CB-CB 3.82Å; C287-C315 WeakPolarHBondContact CB-SG 3.29Å; C287-C315 WeakPolarHBondContact SG-CA 3.37Å; C287-C315 WeakPolarHBondContact SG-CB 3.31Å; C287-C315 CovalentContact SG-SG 2.04Å; C287-C315 PolarHBondContact SG-SG 2.04Å; K296-C315 HydrophobicContact CB-CB 4.44Å; T298-C315 CarbonylContact C-O 3.17Å; T298-C315 WeakPolarHBondContact CA-O 3.44Å; A299-C315 PolarHBondContact N-O 3.26Å; S300-C315 PolarHBondContact O-N 3.24Å
316D93.8Very high94.1Very high49 Ų4953.2 Ų53.226%0.26228%0.279SS..  trans-86-14.7176.871.1-9.5000112.9T298 Y314 K318 T319T298-D316 VanDerWaalsContact OG1-C 3.32Å; T298-D316 PolarHBondContact OG1-O 2.83Å; Y314-D316 PolarHBondContact O-N 3.27Å; D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact OD1-N 2.81Å; D316-T319 PolarHBondContact OD1-N 2.84Å; D316-T319 PolarHBondContact OD1-OG1 3.15Å
317G92.5Very high94.4Very high31 Ų3149.2 Ų49.232%0.3226%0.258SS..SBendtrans76.911.6-176.200000114.2K296K296-G317 WeakPolarHBondContact O-CA 3.31Å
318K92.5Very high94.5Very high170 Ų17048.8 Ų48.874%0.73924%0.242SC*.SBendtrans-117.3-26.5179.7-57.7174.7-176.4170.50112.3D316D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact OD1-N 2.81Å
319T93.7Very high94.3Very high63 Ų6344.8 Ų44.839%0.38722%0.223SC..  trans-124.2154-179.970.80000110.5C287 D316 Y321C287-T319 WeakPolarHBondContact CB-O 3.01Å; D316-T319 PolarHBondContact OD1-N 2.84Å; D316-T319 PolarHBondContact OD1-OG1 3.15Å; T319-Y321 VanDerWaalsContact C-N 3.3Å; T319-Y321 PolarHBondContact OG1-O 3.41Å
320E93.2Very high94.1Very high28 Ų2845.6 Ų45.613%0.13123%0.227CC..SBendtrans-83.4-10.2177.770.4-179.7-177.500112.9C282 A283 T284 G285 D286 C287 C288 L295C282-E320 VanDerWaalsContact CA-OE2 3.23Å; C282-E320 WeakPolarHBondContact CA-OE2 3.25Å; C282-E320 HydrophobicContact CB-CB 3.64Å; C282-E320 HydrophobicContact CB-CG 4.47Å; C282-E320 WeakPolarHBondContact CB-OE2 3.5Å; A283-E320 PolarHBondContact N-OE2 3.17Å; T284-E320 VanDerWaalsContact O-CB 3.26Å; T284-E320 WeakPolarHBondContact O-CB 3.43Å; T284-E320 VanDerWaalsContact O-CD 3.27Å; T284-E320 VanDerWaalsContact O-CG 3.3Å; T284-E320 WeakPolarHBondContact O-CG 3.16Å; T284-E320 PolarHBondContact OG1-OE1 2.88Å; G285-E320 CarbonylContact C-O 3.48Å; G285-E320 VanDerWaalsContact CA-O 3.28Å; G285-E320 WeakPolarHBondContact CA-O 3.45Å; D286-E320 PolarHBondContact N-O 2.84Å; C287-E320 CarbonylContact C-O 3.5Å; C287-E320 WeakPolarHBondContact CA-O 3.36Å; C287-E320 WeakPolarHBondContact CB-O 3.26Å; C287-E320 PolarHBondContact N-O 3.01Å; C288-E320 HydrophobicContact CB-CB 4.23Å; L295-E320 HydrophobicContact CD2-CB 3.72Å
321Y92.9Very high93.9Very high117 Ų11745.2 Ų45.246%0.45923%0.225SC..SBendtrans-98.2142.1-177.9-59.7-75.2000111.4T319T319-Y321 VanDerWaalsContact C-N 3.3Å; T319-Y321 PolarHBondContact OG1-O 3.41Å
322C92.7Very high93.8Very high28 Ų2847.3 Ų47.319%0.18924%0.236CC..PPolyproline II helixtrans-66.3145.5169.8-163.10000109.5D286 C302D286-C322 HydrophobicContact CB-CB 4.31Å; C302-C322 HydrophobicContact CB-CB 3.64Å; C302-C322 WeakPolarHBondContact CB-SG 3.26Å; C302-C322 WeakPolarHBondContact SG-CA 3.46Å; C302-C322 WeakPolarHBondContact SG-CB 3.3Å; C302-C322 CovalentContact SG-SG 2.04Å; C302-C322 PolarHBondContact SG-SG 3.34Å
323P94.7Very high93.7Very high36 Ų3650 Ų5023%0.23425%0.253CS..PPolyproline II helixtrans-55.6161.8168.8-21.832.1000112C302 E313 Y314 D519C302-P323 VanDerWaalsContact SG-CD 3.57Å; E313-P323 HydrophobicContact CB-CB 4.49Å; E313-P323 HydrophobicContact CG-CB 4.28Å; Y314-P323 WeakPolarHBondContact O-CD 3.05Å; Y314-P323 WeakPolarHBondContact O-CG 3.23Å; P323-D519 WeakPolarHBondContact CB-O 3.21Å
324K92.1Very high93.7Very high185 Ų18550 Ų5080%0.80425%0.253SS*.PPolyproline II helixtrans-65143.8179.9-68.2-176.8179.2179.60110.3T326K324-T326 PolarHBondContact O-N 2.85Å
325D91.8Very high93.7Very high89 Ų8949.7 Ų49.748%0.47626%0.257SS..PPolyproline II helixtrans-53.5121.1174.7-173-25.6000110.8R303R303-D325 IonicContact CZ-OD1 3.3Å; R303-D325 IonicContact CZ-OD2 3.67Å; R303-D325 VanDerWaalsContact CZ-OD2 3.28Å; R303-D325 IonicContact NE-OD1 2.75Å; R303-D325 IonicContact NE-OD2 3.21Å; R303-D325 IonicContact NH1-OD1 3.38Å; R303-D325 PolarHBondContact NH1-OD1 3.05Å; R303-D325 IonicContact NH1-OD2 2.91Å; R303-D325 PolarHBondContact NH1-OD2 3.06Å; R303-D325 IonicContact NH2-OD1 3.41Å; R303-D325 PolarHBondContact NH2-OD1 3.47Å; R303-D325 IonicContact NH2-OD2 3.16Å
326T94.6Very high93.6Very high2 Ų257 Ų571%0.01230%0.296CS..  trans-119.8145.3174.1530000110R303 L311 E313 K324 L495 D519 S520R303-T326 PolarHBondContact NH2-O 3.39Å; L311-T326 WeakPolarHBondContact CB-O 3.47Å; L311-T326 PolarHBondContact N-O 3.4Å; E313-T326 PolarHBondContact OE1-N 2.55Å; E313-T326 PolarHBondContact OE1-OG1 2.81Å; K324-T326 PolarHBondContact O-N 2.85Å; T326-L495 HydrophobicContact CG2-CD1 4.26Å; T326-D519 HydrophobicContact CG2-CB 3.73Å; T326-S520 PolarHBondContact OG1-OG 3.27Å
327H95.1Very high93.6Very high26 Ų2657 Ų5712%0.1231%0.308CS..BIsolated β-bridgetrans-134.4166.8-17964.477.2000111.2D330 G344 N493 N494H327-D330 IonicContact CE1-OD1 2.85Å; H327-G344 PolarHBondContact CE1-N 2.88Å; H327-G344 VanDerWaalsContact CG-CA 3.41Å; H327-G344 PolarHBondContact ND1-N 3.1Å; H327-G344 VanDerWaalsContact ND1-N 3.17Å; H327-N493 CarbonylContact O-C 3.46Å; H327-N493 VanDerWaalsContact O-CA 3.22Å; H327-N493 WeakPolarHBondContact O-CA 3.48Å; H327-N494 WeakPolarHBondContact CE1-CB 3.01Å; H327-N494 PolarHBondContact N-OD1 3.48Å; H327-N494 VanDerWaalsContact N-OD1 3.16Å; H327-N494 PolarHBondContact NE2-ND2 2.92Å; H327-N494 PolarHBondContact O-N 2.85Å; H327-N494 PolarHBondContact O-OD1 3.42Å
328K94.3Very high93.7Very high41 Ų4162 Ų6218%0.17832%0.321CS..BIsolated β-bridgetrans-61.3147176.8-61.5-173.4-175.8173.30110.1E308 C309 L311 I332 T491E308-K328 VanDerWaalsContact O-CD 3.31Å; E308-K328 WeakPolarHBondContact O-CD 3.49Å; E308-K328 WeakPolarHBondContact O-CE 3.32Å; E308-K328 PolarHBondContact O-NZ 2.95Å; C309-K328 WeakPolarHBondContact O-CB 3.36Å; C309-K328 WeakPolarHBondContact O-CG 3.29Å; C309-K328 PolarHBondContact O-N 3.47Å; L311-K328 HydrophobicContact CD2-CG 3.86Å; L311-K328 HydrophobicContact CG-CG 4.07Å; K328-I332 HydrophobicContact CB-CD1 4.06Å; K328-T491 HydrophobicContact CB-CG2 4.22Å; K328-T491 HydrophobicContact CD-CG2 3.9Å; K328-T491 HydrophobicContact CG-CG2 3.77Å
329H91.6Very high93.9Very high14 Ų1453.9 Ų53.97%0.06529%0.286CS..PPolyproline II helixtrans-57.8141.7178.5-166.9-87.4000112I332 T478 C492H329-I332 HydrophobicContact CB-CD1 4.05Å; H329-I332 WeakPolarHBondContact O-CD1 3.44Å; H329-I332 WeakPolarHBondContact O-CG1 3.13Å; H329-I332 PolarHBondContact O-N 2.76Å; H329-T478 PolarHBondContact CE1-N 2.04Å; H329-C492 HydrophobicContact CB-CB 4.33Å; H329-C492 WeakPolarHBondContact CB-O 3.39Å; H329-C492 PolarHBondContact N-O 2.96Å
330D93Very high94.1Very high18 Ų1853.2 Ų53.210%0.09628%0.276CS..THydrogen-bonded Turntrans-63.3144.5-178.9-72.4-2.6000111.4H327 C341 A342 N343 V476 Q477H327-D330 IonicContact CE1-OD1 2.85Å; D330-C341 CarbonylContact C-O 3.53Å; D330-C341 WeakPolarHBondContact CA-O 3.4Å; D330-A342 WeakPolarHBondContact OD1-CA 3.06Å; D330-N343 PolarHBondContact OD1-N 2.89Å; D330-V476 HydrophobicContact CB-CG1 3.89Å; D330-Q477 WeakPolarHBondContact O-CG 3.41Å
331G92.7Very high94.2Very high1 Ų151.9 Ų51.91%0.0127%0.27CS..THydrogen-bonded Turntrans83.56.5-178.100000115.2C341 Q477G331-C341 PolarHBondContact N-O 2.84Å; G331-Q477 PolarHBondContact O-NE2 2.85Å
332I92.5Very high94.3Very high49 Ų4946.5 Ų46.525%0.25125%0.25SS..  trans-70.5132.2166.7-71.2171000109K328 H329 W340 C341 T491K328-I332 HydrophobicContact CB-CD1 4.06Å; H329-I332 HydrophobicContact CB-CD1 4.05Å; H329-I332 WeakPolarHBondContact O-CD1 3.44Å; H329-I332 WeakPolarHBondContact O-CG1 3.13Å; H329-I332 PolarHBondContact O-N 2.76Å; I332-W340 CarbonylContact O-C 3.29Å; I332-W340 WeakPolarHBondContact O-CA 3.45Å; I332-C341 HydrophobicContact CB-CB 4.39Å; I332-C341 PolarHBondContact O-N 3.49Å; I332-T491 HydrophobicContact CD1-CG2 4.02Å
333P94.7Very high94.3Very high72 Ų7249.7 Ų49.747%0.46827%0.265SS..EExtended strand (participates in β ladder)trans-61.3139.9176.4-19.429.2000112.2W340P333-W340 HydrophobicContact CB-CE3 4.42Å; P333-W340 HydrophobicContact CB-CZ3 4.36Å; P333-W340 HydrophobicContact CG-CE3 4.14Å; P333-W340 HydrophobicContact CG-CZ3 3.74Å
334C96.8Very high94.2Very high0 Ų048.3 Ų48.30%026%0.258CS..EExtended strand (participates in β ladder)trans-141174.1175.8680000111E308 D336 G337 K338 A339 C346E308-C334 HydrophobicContact CG-CB 4.35Å; E308-C334 WeakPolarHBondContact OE1-CA 2.87Å; E308-C334 WeakPolarHBondContact OE2-CB 3.45Å; C334-D336 PolarHBondContact O-N 2.92Å; C334-G337 PolarHBondContact O-N 3.23Å; C334-K338 PolarHBondContact O-N 3.29Å; C334-A339 PolarHBondContact N-O 2.86Å; C334-A339 PolarHBondContact O-N 2.88Å; C334-A339 VanDerWaalsContact SG-C 3.6Å; C334-C346 HydrophobicContact CB-CB 3.83Å; C334-C346 WeakPolarHBondContact CB-SG 3.31Å; C334-C346 WeakPolarHBondContact SG-CA 3.32Å; C334-C346 WeakPolarHBondContact SG-CB 3.44Å; C334-C346 CovalentContact SG-SG 2.03Å; C334-C346 PolarHBondContact SG-SG 3.46Å
335A95.6Very high94.3Very high24 Ų2445.9 Ų45.920%0.19825%0.249CC..THydrogen-bonded Turntrans5251.3-177.400000112.5E308 G337 K338 A339E308-A335 PolarHBondContact OE2-N 3.47Å; A335-G337 PolarHBondContact O-N 2.98Å; A335-K338 WeakPolarHBondContact O-CB 3.48Å; A335-K338 WeakPolarHBondContact O-CG 3.02Å; A335-K338 PolarHBondContact O-N 3.49Å; A335-A339 HydrophobicContact CB-CB 4.43Å
336D94.7Very high94.6Very high154 Ų15443.6 Ų43.682%0.82424%0.24SC*.THydrogen-bonded Turntrans58.432.1-175.8-50.4-51.1000113.7C334C334-D336 PolarHBondContact O-N 2.92Å
337G93.6Very high94.7Very high50 Ų5043.5 Ų43.552%0.51524%0.24SC..THydrogen-bonded Turntrans78.614.9-18000000114.7C334 A335C334-G337 PolarHBondContact O-N 3.23Å; A335-G337 PolarHBondContact O-N 2.98Å
338K95Very high94.7Very high134 Ų13443.3 Ų43.358%0.58324%0.241SC*.THydrogen-bonded Turntrans-89.3-12.1176.3-62.3171.5-173.6158.90113.2C334 A335C334-K338 PolarHBondContact O-N 3.29Å; A335-K338 WeakPolarHBondContact O-CB 3.48Å; A335-K338 WeakPolarHBondContact O-CG 3.02Å; A335-K338 PolarHBondContact O-N 3.49Å
339A97.4Very high94.8Very high1 Ų143.3 Ų43.31%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-147.1-179.1179.200000109.9C334 A335C334-A339 PolarHBondContact N-O 2.86Å; C334-A339 PolarHBondContact O-N 2.88Å; C334-A339 VanDerWaalsContact SG-C 3.6Å; A335-A339 HydrophobicContact CB-CB 4.43Å
340W97.3Very high95Very high48 Ų4846.2 Ų46.218%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-130.4149-176.7-49.789.4000109.7I332 P333 G347 G456 M464 V473I332-W340 CarbonylContact O-C 3.29Å; I332-W340 WeakPolarHBondContact O-CA 3.45Å; P333-W340 HydrophobicContact CB-CE3 4.42Å; P333-W340 HydrophobicContact CB-CZ3 4.36Å; P333-W340 HydrophobicContact CG-CE3 4.14Å; P333-W340 HydrophobicContact CG-CZ3 3.74Å; W340-G347 PolarHBondContact O-N 3.37Å; W340-G347 VanDerWaalsContact O-N 3.1Å; W340-G456 WeakPolarHBondContact CB-O 3.34Å; W340-G456 VanDerWaalsContact CD1-O 3.31Å; W340-G456 PolarHBondContact N-O 3.08Å; W340-G456 VanDerWaalsContact O-CA 3.32Å; W340-G456 WeakPolarHBondContact O-CA 3.42Å; W340-M464 HydrophobicContact CB-CB 4.41Å; W340-M464 HydrophobicContact CB-SD 3.49Å; W340-M464 WeakPolarHBondContact CB-SD 3.1Å; W340-M464 VanDerWaalsContact CD1-CB 3.46Å; W340-M464 HydrophobicContact CG-CB 4.02Å; W340-M464 HydrophobicContact CG-SD 3.81Å; W340-V473 HydrophobicContact CD2-CG1 4.36Å; W340-V473 HydrophobicContact CD2-CG2 3.78Å; W340-V473 HydrophobicContact CE3-CG1 3.91Å; W340-V473 HydrophobicContact CE3-CG2 4.06Å; W340-V473 HydrophobicContact CG-CG2 4.35Å; W340-V473 HydrophobicContact CH2-CG2 4.04Å; W340-V473 HydrophobicContact CZ2-CG2 3.79Å; W340-V473 HydrophobicContact CZ3-CG1 4Å; W340-V473 HydrophobicContact CZ3-CG2 4.16Å
341C95.9Very high95.1Very high1 Ų148 Ų481%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-70.1134.8170.4-64.60000110.2C309 D330 G331 I332 Q345C309-C341 HydrophobicContact CB-CB 3.66Å; C309-C341 WeakPolarHBondContact CB-SG 3.5Å; C309-C341 WeakPolarHBondContact SG-CA 2.99Å; C309-C341 WeakPolarHBondContact SG-CB 3.38Å; C309-C341 CovalentContact SG-SG 2.03Å; C309-C341 PolarHBondContact SG-SG 3.01Å; D330-C341 CarbonylContact C-O 3.53Å; D330-C341 WeakPolarHBondContact CA-O 3.4Å; G331-C341 PolarHBondContact N-O 2.84Å; I332-C341 HydrophobicContact CB-CB 4.39Å; I332-C341 PolarHBondContact O-N 3.49Å; C341-Q345 WeakPolarHBondContact CA-O 3.45Å
342A94.9Very high95.2Very high4 Ų450.1 Ų50.13%0.03328%0.281CS..EExtended strand (participates in β ladder)trans-147125.9170.900000109.7D330 G344 Q345 N455 F466D330-A342 WeakPolarHBondContact OD1-CA 3.06Å; A342-G344 PolarHBondContact O-N 3.14Å; A342-Q345 PolarHBondContact N-O 3.2Å; A342-Q345 PolarHBondContact O-N 3.38Å; A342-Q345 VanDerWaalsContact O-N 3.08Å; A342-N455 HydrophobicContact CB-CB 3.59Å; A342-F466 HydrophobicContact CB-CD2 4.48Å
343N92.2Very high95.4Very high94 Ų9447.8 Ų47.850%0.50327%0.269SS..THydrogen-bonded Turntrans48.843.7-176.6-59.2-29.4000112.5D330 Q345D330-N343 PolarHBondContact OD1-N 2.89Å; N343-Q345 VanDerWaalsContact C-N 3.26Å; N343-Q345 PolarHBondContact O-N 2.84Å
344G93Very high95.4Very high8 Ų847.9 Ų47.98%0.08226%0.263CS..THydrogen-bonded Turntrans74.43.5178.700000116.5C309 H327 A342C309-G344 CarbonylContact C-O 3.6Å; C309-G344 VanDerWaalsContact CB-C 3.49Å; C309-G344 VanDerWaalsContact CB-O 3.25Å; C309-G344 WeakPolarHBondContact CB-O 3.48Å; H327-G344 PolarHBondContact CE1-N 2.88Å; H327-G344 VanDerWaalsContact CG-CA 3.41Å; H327-G344 PolarHBondContact ND1-N 3.1Å; H327-G344 VanDerWaalsContact ND1-N 3.17Å; A342-G344 PolarHBondContact O-N 3.14Å
345Q94.6Very high95.2Very high134 Ų13451.2 Ų51.263%0.62628%0.28SS*.EExtended strand (participates in β ladder)trans-115143.3178-63-179.311.100111.5C341 A342 N343C341-Q345 WeakPolarHBondContact CA-O 3.45Å; A342-Q345 PolarHBondContact N-O 3.2Å; A342-Q345 PolarHBondContact O-N 3.38Å; A342-Q345 VanDerWaalsContact O-N 3.08Å; N343-Q345 VanDerWaalsContact C-N 3.26Å; N343-Q345 PolarHBondContact O-N 2.84Å
346C96.7Very high95Very high40 Ų4050.1 Ų50.127%0.2727%0.271SS..EExtended strand (participates in β ladder)trans-82.1119.4172.6-177.30000110.4C309 C334 S348C309-C346 VanDerWaalsContact SG-CA 3.57Å; C334-C346 HydrophobicContact CB-CB 3.83Å; C334-C346 WeakPolarHBondContact CB-SG 3.31Å; C334-C346 WeakPolarHBondContact SG-CA 3.32Å; C334-C346 WeakPolarHBondContact SG-CB 3.44Å; C334-C346 CovalentContact SG-SG 2.03Å; C334-C346 PolarHBondContact SG-SG 3.46Å; C346-S348 PolarHBondContact O-N 2.93Å
347G96.4Very high95Very high1 Ų142.9 Ų42.91%0.0123%0.232CC..  trans-72.835.2-17600000116.4W340 L349 N455 A457W340-G347 PolarHBondContact O-N 3.37Å; W340-G347 VanDerWaalsContact O-N 3.1Å; G347-L349 PolarHBondContact O-N 3.14Å; G347-N455 WeakPolarHBondContact CA-O 3.4Å; G347-A457 WeakPolarHBondContact O-CA 3.49Å; G347-A457 WeakPolarHBondContact O-CB 3.48Å; G347-A457 PolarHBondContact O-N 2.8Å
348S96.9Very high94.9Very high21 Ų2141 Ų4115%0.14721%0.212CC..  trans-68120-176.8173.70000112.5C346 E350 A351 R352C346-S348 PolarHBondContact O-N 2.93Å; S348-E350 VanDerWaalsContact C-N 3.28Å; S348-E350 PolarHBondContact O-N 3.28Å; S348-E350 PolarHBondContact OG-N 3.28Å; S348-A351 PolarHBondContact O-N 2.97Å; S348-A351 PolarHBondContact OG-N 2.03Å; S348-R352 WeakPolarHBondContact O-CB 3.37Å; S348-R352 PolarHBondContact O-N 2.92Å
349L96.3Very high94.7Very high42 Ų4241.7 Ų41.722%0.2222%0.222CC..Hα-helixtrans-60.6-37.8175-66.1-179.7000112.2G347 R352 C353 P363 L403 V453 A457G347-L349 PolarHBondContact O-N 3.14Å; L349-R352 PolarHBondContact O-N 3.17Å; L349-C353 PolarHBondContact O-N 3.31Å; L349-P363 HydrophobicContact CB-CB 4.13Å; L349-P363 HydrophobicContact CB-CG 3.69Å; L349-L403 HydrophobicContact CD2-CD1 3.75Å; L349-V453 HydrophobicContact CD2-CG1 3.85Å; L349-V453 HydrophobicContact CD2-CG2 4.34Å; L349-A457 HydrophobicContact CD2-CB 3.78Å; L349-A457 HydrophobicContact CG-CB 4.19Å
350E95.7Very high94.5Very high74 Ų7443.4 Ų43.435%0.34623%0.234SC..Hα-helixtrans-66.7-47.9179.5-172.7-173.9153.300110.8S348 R352 C353 K354 L362 P363S348-E350 VanDerWaalsContact C-N 3.28Å; S348-E350 PolarHBondContact O-N 3.28Å; S348-E350 PolarHBondContact OG-N 3.28Å; E350-R352 PolarHBondContact O-N 3.19Å; E350-C353 PolarHBondContact O-N 3.47Å; E350-K354 HydrophobicContact CG-CD 4.34Å; E350-K354 WeakPolarHBondContact O-CB 3.02Å; E350-K354 WeakPolarHBondContact O-CG 3.36Å; E350-K354 PolarHBondContact O-N 3.25Å; E350-K354 WeakPolarHBondContact OE1-CE 3.46Å; E350-K354 IonicContact OE1-NZ 2.68Å; E350-K354 PolarHBondContact OE1-NZ 3.06Å; E350-L362 HydrophobicContact CG-CD2 4.15Å; E350-P363 HydrophobicContact CB-CG 4.25Å
351A94.9Very high94.4Very high57 Ų5741.1 Ų41.147%0.47123%0.225SC..Hα-helixtrans-59.3-39.1175.600000110.9S348 K354 L355S348-A351 PolarHBondContact O-N 2.97Å; S348-A351 PolarHBondContact OG-N 2.03Å; A351-K354 PolarHBondContact O-N 3.37Å; A351-L355 PolarHBondContact O-N 2.81Å
352R95.1Very high94.5Very high44 Ų4445.2 Ų45.217%0.16625%0.247CC..Hα-helixtrans-67.5-43.8177.7-164.657.8154.8-161.1-24.3113.1S348 L349 E350 K354 L355 L356 L403 P450 P454S348-R352 WeakPolarHBondContact O-CB 3.37Å; S348-R352 PolarHBondContact O-N 2.92Å; L349-R352 PolarHBondContact O-N 3.17Å; E350-R352 PolarHBondContact O-N 3.19Å; R352-K354 VanDerWaalsContact C-N 3.31Å; R352-K354 PolarHBondContact O-N 3.23Å; R352-L355 WeakPolarHBondContact O-CB 3.35Å; R352-L355 PolarHBondContact O-N 2.89Å; R352-L356 WeakPolarHBondContact O-CG 3.33Å; R352-L356 PolarHBondContact O-N 3.11Å; R352-L403 HydrophobicContact CB-CD2 3.94Å; R352-L403 HydrophobicContact CG-CD2 3.44Å; R352-L403 VanDerWaalsContact CG-CD2 3.44Å; R352-P450 VanDerWaalsContact CZ-CA 3.43Å; R352-P450 VanDerWaalsContact CZ-CB 3.42Å; R352-P450 PolarHBondContact NE-O 2.91Å; R352-P454 HydrophobicContact CB-CG 4.26Å; R352-P454 HydrophobicContact CG-CG 4.32Å
353C96.1Very high94.5Very high0 Ų047.5 Ų47.50%026%0.261CS..Hα-helixtrans-64.7-36.7174.9-75.80000112L349 E350 L356 W357 L362 C405L349-C353 PolarHBondContact O-N 3.31Å; E350-C353 PolarHBondContact O-N 3.47Å; C353-L356 PolarHBondContact O-N 3.38Å; C353-W357 WeakPolarHBondContact O-CB 3.48Å; C353-W357 PolarHBondContact O-N 2.96Å; C353-L362 PolarHBondContact SG-O 3.44Å; C353-C405 WeakPolarHBondContact CA-SG 3.32Å; C353-C405 HydrophobicContact CB-CB 3.89Å; C353-C405 WeakPolarHBondContact CB-SG 3.31Å; C353-C405 WeakPolarHBondContact SG-CB 3.04Å; C353-C405 CovalentContact SG-SG 2.05Å; C353-C405 PolarHBondContact SG-SG 3.35Å
354K94.9Very high94.7Very high74 Ų7443.6 Ų43.632%0.32224%0.242SC..Hα-helixtrans-66.4-37.8174.7-74.1178171.8168.10113.1E350 A351 R352 L356 G358 G361E350-K354 HydrophobicContact CG-CD 4.34Å; E350-K354 WeakPolarHBondContact O-CB 3.02Å; E350-K354 WeakPolarHBondContact O-CG 3.36Å; E350-K354 PolarHBondContact O-N 3.25Å; E350-K354 WeakPolarHBondContact OE1-CE 3.46Å; E350-K354 IonicContact OE1-NZ 2.68Å; E350-K354 PolarHBondContact OE1-NZ 3.06Å; A351-K354 PolarHBondContact O-N 3.37Å; R352-K354 VanDerWaalsContact C-N 3.31Å; R352-K354 PolarHBondContact O-N 3.23Å; K354-L356 VanDerWaalsContact C-N 3.32Å; K354-L356 PolarHBondContact O-N 3.03Å; K354-G358 VanDerWaalsContact CA-O 3.29Å; K354-G358 WeakPolarHBondContact CA-O 3.39Å; K354-G358 CarbonylContact O-C 3.19Å; K354-G358 WeakPolarHBondContact O-CA 3.33Å; K354-G358 PolarHBondContact O-N 3.18Å; K354-G361 VanDerWaalsContact CG-O 3.27Å; K354-G361 WeakPolarHBondContact CG-O 3.37Å
355L91.6Very high94.9Very high70 Ų7046.6 Ų46.637%0.36625%0.254SS..Hα-helixtrans-57.9-46.4173.4178.369.7000111.2A351 R352 F414A351-L355 PolarHBondContact O-N 2.81Å; R352-L355 WeakPolarHBondContact O-CB 3.35Å; R352-L355 PolarHBondContact O-N 2.89Å; L355-F414 HydrophobicContact CD1-CD2 3.88Å; L355-F414 HydrophobicContact CD1-CE2 4.13Å; L355-F414 HydrophobicContact CD2-CD2 4.36Å; L355-F414 HydrophobicContact CD2-CE2 4.34Å; L355-F414 HydrophobicContact CG-CD2 3.95Å; L355-F414 HydrophobicContact CG-CE2 4.34Å
356L92.7Very high94.8Very high1 Ų145.4 Ų45.41%0.00525%0.248CC..Hα-helixtrans-75.9-39.7-176.1-62.9-175.2000113.2R352 C353 K354 L403 T412 N413 F414 I441 P450R352-L356 WeakPolarHBondContact O-CG 3.33Å; R352-L356 PolarHBondContact O-N 3.11Å; C353-L356 PolarHBondContact O-N 3.38Å; K354-L356 VanDerWaalsContact C-N 3.32Å; K354-L356 PolarHBondContact O-N 3.03Å; L356-L403 HydrophobicContact CD1-CD2 3.97Å; L356-T412 CarbonylContact O-C 3.51Å; L356-T412 VanDerWaalsContact O-CA 3.29Å; L356-T412 WeakPolarHBondContact O-CA 3.21Å; L356-T412 WeakPolarHBondContact O-CB 3.11Å; L356-N413 PolarHBondContact O-N 2.93Å; L356-F414 HydrophobicContact CD2-CB 4.01Å; L356-F414 HydrophobicContact CD2-CG 4.36Å; L356-I441 HydrophobicContact CD2-CD1 3.53Å; L356-P450 HydrophobicContact CD2-CB 4.32Å
357W93Very high94.7Very high3 Ų345.8 Ų45.81%0.01125%0.247CC..Hα-helixtrans-121.212.3-167.3-55.9105.3000114C353 H407 N409 T412 V422 Q437 A439C353-W357 WeakPolarHBondContact O-CB 3.48Å; C353-W357 PolarHBondContact O-N 2.96Å; W357-H407 HydrophobicContact CB-CB 3.77Å; W357-H407 HydrophobicContact CD2-CB 4.45Å; W357-H407 AromaticContact CD2-CD2 3.3Å; W357-H407 AromaticContact CD2-CG 3.78Å; W357-H407 AromaticContact CD2-NE2 3.58Å; W357-H407 AromaticContact CE2-CD2 3.6Å; W357-H407 AromaticContact CE2-NE2 3.76Å; W357-H407 AromaticContact CE3-CD2 3.51Å; W357-H407 AromaticContact CE3-CE1 3.47Å; W357-H407 VanDerWaalsContact CE3-CE1 3.47Å; W357-H407 AromaticContact CE3-CG 3.79Å; W357-H407 AromaticContact CE3-ND1 3.75Å; W357-H407 AromaticContact CE3-NE2 3.32Å; W357-H407 VanDerWaalsContact CE3-NE2 3.32Å; W357-H407 HydrophobicContact CG-CB 4.05Å; W357-H407 AromaticContact CG-CD2 3.69Å; W357-H407 AromaticContact CG-CG 3.9Å; W357-H407 AromaticContact CH2-NE2 3.48Å; W357-H407 WeakPolarHBondContact CH2-NE2 3.25Å; W357-H407 AromaticContact CZ2-NE2 3.74Å; W357-H407 AromaticContact CZ3-CD2 3.95Å; W357-H407 AromaticContact CZ3-CE1 3.46Å; W357-H407 VanDerWaalsContact CZ3-CE1 3.46Å; W357-H407 WeakPolarHBondContact CZ3-CE1 3.49Å; W357-H407 AromaticContact CZ3-NE2 3.27Å; W357-H407 VanDerWaalsContact CZ3-NE2 3.27Å; W357-H407 WeakPolarHBondContact CZ3-NE2 3.45Å; W357-N409 PolarHBondContact O-ND2 2.98Å; W357-T412 HydrophobicContact CD2-CG2 4.32Å; W357-T412 HydrophobicContact CE3-CG2 3.89Å; W357-T412 HydrophobicContact CH2-CG2 3.51Å; W357-T412 HydrophobicContact CZ2-CG2 3.95Å; W357-T412 HydrophobicContact CZ3-CG2 3.47Å; W357-T412 VanDerWaalsContact CZ3-CG2 3.47Å; W357-V422 HydrophobicContact CH2-CG1 3.81Å; W357-V422 HydrophobicContact CH2-CG2 4.15Å; W357-Q437 HydrophobicContact CZ2-CB 4.19Å; W357-A439 HydrophobicContact CH2-CB 4.5Å; W357-A439 HydrophobicContact CZ2-CB 3.97Å
358G92Very high94.7Very high9 Ų945.7 Ų45.79%0.09325%0.246CC..G310 helixtrans66.8-168-174.700000113.2K354 S360 G361 N413K354-G358 VanDerWaalsContact CA-O 3.29Å; K354-G358 WeakPolarHBondContact CA-O 3.39Å; K354-G358 CarbonylContact O-C 3.19Å; K354-G358 WeakPolarHBondContact O-CA 3.33Å; K354-G358 PolarHBondContact O-N 3.18Å; G358-S360 PolarHBondContact O-N 2.98Å; G358-G361 PolarHBondContact O-N 3.16Å; G358-N413 VanDerWaalsContact CA-ND2 3.25Å; G358-N413 WeakPolarHBondContact CA-ND2 3.25Å; G358-N413 PolarHBondContact N-ND2 2.84Å
359D92.2Very high94.7Very high150 Ų15045.3 Ų45.380%0.80224%0.242SC*.G310 helixtrans-58.7-21.1-172.8-64.6-35.5000115.2G361D359-G361 VanDerWaalsContact C-N 3.32Å
360S93.3Very high94.7Very high36 Ų3646.4 Ų46.425%0.25225%0.253SS..G310 helixtrans-77.9-15.1176.3800000114G358 L362 K408 N409G358-S360 PolarHBondContact O-N 2.98Å; S360-L362 PolarHBondContact O-N 3.25Å; S360-K408 PolarHBondContact OG-N 2.87Å; S360-N409 PolarHBondContact OG-OD1 2.69Å
361G95.2Very high94.6Very high0 Ų044.2 Ų44.20%024%0.243CC..  trans-72.8119.8-176.500000112.2K354 G358 D359K354-G361 VanDerWaalsContact CG-O 3.27Å; K354-G361 WeakPolarHBondContact CG-O 3.37Å; G358-G361 PolarHBondContact O-N 3.16Å; D359-G361 VanDerWaalsContact C-N 3.32Å
362L96.1Very high94.8Very high88 Ų8841.5 Ų41.546%0.46122%0.22SC..EExtended strand (participates in β ladder)trans-126.9154.8175.6-66.2174.8000110.4E350 C353 S360 A364 C405 D406E350-L362 HydrophobicContact CG-CD2 4.15Å; C353-L362 PolarHBondContact SG-O 3.44Å; S360-L362 PolarHBondContact O-N 3.25Å; L362-A364 PolarHBondContact O-N 2.87Å; L362-C405 CarbonylContact O-C 3.42Å; L362-C405 VanDerWaalsContact O-CA 3.22Å; L362-C405 WeakPolarHBondContact O-CA 3.04Å; L362-C405 WeakPolarHBondContact O-CB 3.37Å; L362-D406 PolarHBondContact N-O 2.89Å; L362-D406 PolarHBondContact O-N 2.87Å
363P96.4Very high94.8Very high51 Ų5140.3 Ų40.333%0.33122%0.222SC..EExtended strand (participates in β ladder)trans-58.8131.8172.6-22.134.9000110.5L349 E350L349-P363 HydrophobicContact CB-CB 4.13Å; L349-P363 HydrophobicContact CB-CG 3.69Å; E350-P363 HydrophobicContact CB-CG 4.25Å
364A96.2Very high94.7Very high12 Ų1245.6 Ų45.610%0.09925%0.25CS..PPolyproline II helixtrans-69.4168.6178.200000111.5L362 C368 Q404L362-A364 PolarHBondContact O-N 2.87Å; A364-C368 HydrophobicContact CB-CB 4.09Å; A364-Q404 HydrophobicContact CB-CB 3.82Å; A364-Q404 VanDerWaalsContact CB-O 3.3Å; A364-Q404 WeakPolarHBondContact CB-O 3.04Å; A364-Q404 PolarHBondContact N-O 3.27Å
365H95.7Very high94.6Very high72 Ų7242.8 Ų42.833%0.33324%0.243SC..PPolyproline II helixtrans-60.7142.5174.4-169.7-99.4000111.3L367 C368 F434H365-L367 PolarHBondContact ND1-N 3.38Å; H365-L367 PolarHBondContact O-N 3.05Å; H365-C368 WeakPolarHBondContact O-CB 3.07Å; H365-C368 PolarHBondContact O-N 3.31Å; H365-F434 HydrophobicContact CB-CB 4.21Å; H365-F434 HydrophobicContact CB-CD1 3.46Å; H365-F434 VanDerWaalsContact CB-CD1 3.46Å; H365-F434 HydrophobicContact CB-CE1 3.93Å; H365-F434 HydrophobicContact CB-CG 3.86Å; H365-F434 AromaticContact CD2-CE1 3.63Å; H365-F434 AromaticContact CE1-CZ 3.74Å; H365-F434 AromaticContact CG-CD1 3.59Å; H365-F434 AromaticContact CG-CE1 3.52Å; H365-F434 AromaticContact CG-CZ 3.95Å; H365-F434 AromaticContact ND1-CE1 3.8Å; H365-F434 AromaticContact ND1-CE2 3.91Å; H365-F434 AromaticContact ND1-CZ 3.74Å
366H94Very high94.7Very high109 Ų10940.3 Ų40.351%0.50523%0.234SC..G310 helixtrans-55.7-24.8-173.476.5-81.8000114.5C368 Y369H366-C368 VanDerWaalsContact C-N 3.25Å; H366-C368 PolarHBondContact O-N 3.41Å; H366-Y369 PolarHBondContact O-N 3.47Å
367L94.3Very high94.6Very high47 Ų4743 Ų4325%0.24625%0.252CS..G310 helixtrans-62.4-28.9175.2-69.9174.2000113.2H365 Y369 S370 H429 F434H365-L367 PolarHBondContact ND1-N 3.38Å; H365-L367 PolarHBondContact O-N 3.05Å; L367-Y369 PolarHBondContact O-N 2.96Å; L367-S370 WeakPolarHBondContact O-CB 3.28Å; L367-S370 PolarHBondContact O-N 2.98Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.37Å; L367-H429 HydrophobicContact CD1-CB 3.96Å; L367-F434 HydrophobicContact CD1-CD2 4.09Å; L367-F434 HydrophobicContact CD1-CE2 3.64Å; L367-F434 HydrophobicContact CD1-CZ 4.42Å
368C96.4Very high94.6Very high0 Ų045.8 Ų45.80%027%0.267CS..G310 helixtrans-59.7-34.2176.7-65.90000112.1A364 H365 H366 S370 M371 Q404 C436A364-C368 HydrophobicContact CB-CB 4.09Å; H365-C368 WeakPolarHBondContact O-CB 3.07Å; H365-C368 PolarHBondContact O-N 3.31Å; H366-C368 VanDerWaalsContact C-N 3.25Å; H366-C368 PolarHBondContact O-N 3.41Å; C368-S370 PolarHBondContact O-N 3.21Å; C368-M371 WeakPolarHBondContact O-CB 3.21Å; C368-M371 PolarHBondContact O-N 3.14Å; C368-Q404 HydrophobicContact CB-CB 3.67Å; C368-Q404 HydrophobicContact CB-CG 3.76Å; C368-C436 VanDerWaalsContact CA-SG 3.58Å; C368-C436 HydrophobicContact CB-CB 3.65Å; C368-C436 WeakPolarHBondContact CB-SG 3.32Å; C368-C436 VanDerWaalsContact SG-CA 3.59Å; C368-C436 WeakPolarHBondContact SG-CB 3.22Å; C368-C436 CovalentContact SG-SG 2.04Å; C368-C436 PolarHBondContact SG-SG 3Å
369Y97.1Very high94.7Very high13 Ų1345.5 Ų45.55%0.05126%0.264CS..G310 helixtrans-68.6-13.8179.4-66.8-91.4000113.4H366 L367 M371 N372 Q404 V453H366-Y369 PolarHBondContact O-N 3.47Å; L367-Y369 PolarHBondContact O-N 2.96Å; Y369-M371 PolarHBondContact O-N 3.19Å; Y369-N372 VanDerWaalsContact O-CB 3.25Å; Y369-N372 WeakPolarHBondContact O-CB 3.48Å; Y369-N372 PolarHBondContact O-N 3.04Å; Y369-Q404 HydrophobicContact CD1-CG 4.02Å; Y369-Q404 HydrophobicContact CD2-CB 4.26Å; Y369-Q404 HydrophobicContact CD2-CG 4.28Å; Y369-Q404 HydrophobicContact CE1-CB 4.23Å; Y369-Q404 HydrophobicContact CE1-CG 4.13Å; Y369-Q404 HydrophobicContact CE2-CB 3.95Å; Y369-Q404 HydrophobicContact CE2-CG 4.39Å; Y369-Q404 HydrophobicContact CG-CG 4.12Å; Y369-V453 HydrophobicContact CE1-CG2 3.74Å
370S95.2Very high94.9Very high64 Ų6438.3 Ų38.345%0.44823%0.226SC..G310 helixtrans-61.6-29.2174.765.30000112.7L367 C368 N372 G373L367-S370 WeakPolarHBondContact O-CB 3.28Å; L367-S370 PolarHBondContact O-N 2.98Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.37Å; C368-S370 PolarHBondContact O-N 3.21Å; S370-N372 PolarHBondContact O-N 3.14Å; S370-G373 PolarHBondContact O-N 2.82Å; S370-G373 VanDerWaalsContact O-N 3.14Å
371M95.1Very high95Very high28 Ų2837.3 Ų37.314%0.13822%0.218CC..G310 helixtrans-62.9-21175.4-64.5174.654.700112.6C368 Y369 G373 D374 N378 A425 L427C368-M371 WeakPolarHBondContact O-CB 3.21Å; C368-M371 PolarHBondContact O-N 3.14Å; Y369-M371 PolarHBondContact O-N 3.19Å; M371-G373 PolarHBondContact O-N 2.8Å; M371-G373 VanDerWaalsContact O-N 3.17Å; M371-D374 WeakPolarHBondContact O-CB 3.33Å; M371-D374 PolarHBondContact O-N 2.86Å; M371-N378 HydrophobicContact CE-CB 3.78Å; M371-A425 HydrophobicContact CE-CB 3.86Å; M371-A425 HydrophobicContact SD-CB 4.02Å; M371-L427 HydrophobicContact SD-CD1 4.37Å; M371-L427 HydrophobicContact SD-CD2 4.34Å
372N97.3Very high94.8Very high0 Ų037.8 Ų37.80%022%0.223CC..G310 helixtrans-65-18.5177-69.9-19.4000112.9Y369 S370 D374 G379 N380 C393 M398 L402Y369-N372 VanDerWaalsContact O-CB 3.25Å; Y369-N372 WeakPolarHBondContact O-CB 3.48Å; Y369-N372 PolarHBondContact O-N 3.04Å; S370-N372 PolarHBondContact O-N 3.14Å; N372-D374 VanDerWaalsContact C-N 3.28Å; N372-D374 PolarHBondContact O-N 3.31Å; N372-G379 WeakPolarHBondContact OD1-CA 3.01Å; N372-N380 PolarHBondContact OD1-N 2.87Å; N372-C393 HydrophobicContact CB-CB 4.2Å; N372-C393 VanDerWaalsContact CB-SG 3.59Å; N372-C393 WeakPolarHBondContact O-CB 3.45Å; N372-C393 PolarHBondContact O-N 3.43Å; N372-M398 PolarHBondContact ND2-O 3.38Å; N372-L402 PolarHBondContact ND2-N 2.99Å; N372-L402 PolarHBondContact ND2-O 2.8Å; N372-L402 WeakPolarHBondContact OD1-CB 3.1Å
373G96.4Very high94.5Very high20 Ų2035.3 Ų35.321%0.20621%0.21CC..G310 helixtrans-70.2-19.7170.600000114.7S370 M371S370-G373 PolarHBondContact O-N 2.82Å; S370-G373 VanDerWaalsContact O-N 3.14Å; M371-G373 PolarHBondContact O-N 2.8Å; M371-G373 VanDerWaalsContact O-N 3.17Å
374D94.1Very high94Very high110 Ų11036.4 Ų36.459%0.58821%0.213SC*.THydrogen-bonded Turntrans-74.8-34-175.9-64.3-27.2000112M371 N372 K392M371-D374 WeakPolarHBondContact O-CB 3.33Å; M371-D374 PolarHBondContact O-N 2.86Å; N372-D374 VanDerWaalsContact C-N 3.28Å; N372-D374 PolarHBondContact O-N 3.31Å; D374-K392 WeakPolarHBondContact O-CE 3.48Å; D374-K392 PolarHBondContact O-NZ 3.24Å
375G93.3Very high93.4Very high16 Ų1636.9 Ų36.917%0.16521%0.213CC..  trans65.352.2-175.300000112.1G379 F390G375-G379 CarbonylContact C-O 3.51Å; G375-G379 VanDerWaalsContact CA-O 3.28Å; G375-G379 WeakPolarHBondContact CA-O 3.47Å; G375-G379 PolarHBondContact N-O 3.31Å; G375-G379 VanDerWaalsContact N-O 3.14Å; G375-F390 WeakPolarHBondContact O-CB 3.38Å
376G93.2Very high92.5Very high18 Ų1837.6 Ų37.619%0.18621%0.213CC..BIsolated β-bridgetrans-122.8-173.2175.300000112.4N378 G379 N380G376-N378 VanDerWaalsContact C-N 3.25Å; G376-N378 PolarHBondContact O-N 3.36Å; G376-G379 PolarHBondContact N-O 2.88Å; G376-G379 CarbonylContact O-C 3.54Å; G376-G379 PolarHBondContact O-N 3.19Å; G376-G379 VanDerWaalsContact O-O 3.08Å; G376-N380 PolarHBondContact O-ND2 3.01Å
377P90.6Very high92Very high58 Ų5836.7 Ų36.738%0.37721%0.212SC..THydrogen-bonded Turntrans-61-32.9-177.5-18.929.1000113.6F390 L421 L440P377-F390 HydrophobicContact CB-CE2 4.25Å; P377-F390 HydrophobicContact CB-CZ 3.98Å; P377-F390 HydrophobicContact CG-CD2 4.5Å; P377-F390 HydrophobicContact CG-CE2 3.86Å; P377-F390 HydrophobicContact CG-CZ 4.1Å; P377-L421 HydrophobicContact CB-CD2 4.2Å; P377-L440 VanDerWaalsContact O-CD1 3.3Å; P377-L440 WeakPolarHBondContact O-CD1 3.24Å
378N91.7Very high91.5Very high60 Ų6037.1 Ų37.132%0.32121%0.214SC..THydrogen-bonded Turntrans-97.33.2-176.2-57.8-18000113.2M371 G376 Q404 G423M371-N378 HydrophobicContact CE-CB 3.78Å; G376-N378 VanDerWaalsContact C-N 3.25Å; G376-N378 PolarHBondContact O-N 3.36Å; N378-Q404 PolarHBondContact O-NE2 3.25Å; N378-G423 WeakPolarHBondContact OD1-CA 3.32Å
379G95Very high91.3Very high3 Ų340.4 Ų40.43%0.03123%0.234CC..BIsolated β-bridgetrans-173.7114.9178.900000112N372 G375 G376N372-G379 WeakPolarHBondContact OD1-CA 3.01Å; G375-G379 CarbonylContact C-O 3.51Å; G375-G379 VanDerWaalsContact CA-O 3.28Å; G375-G379 WeakPolarHBondContact CA-O 3.47Å; G375-G379 PolarHBondContact N-O 3.31Å; G375-G379 VanDerWaalsContact N-O 3.14Å; G376-G379 PolarHBondContact N-O 2.88Å; G376-G379 CarbonylContact O-C 3.54Å; G376-G379 PolarHBondContact O-N 3.19Å; G376-G379 VanDerWaalsContact O-O 3.08Å
380N96.1Very high91.1Very high0 Ų041.7 Ų41.70%024%0.24CC..  trans-162.4174.1-17557.775.2000111.1N372 G376 G382 F390 L391 C393 G401 L402N372-N380 PolarHBondContact OD1-N 2.87Å; G376-N380 PolarHBondContact O-ND2 3.01Å; N380-G382 WeakPolarHBondContact OD1-CA 3.35Å; N380-G382 PolarHBondContact OD1-N 2.88Å; N380-G382 PolarHBondContact OD1-O 3.44Å; N380-F390 HydrophobicContact CB-CB 3.93Å; N380-F390 HydrophobicContact CB-CD1 4.26Å; N380-F390 WeakPolarHBondContact ND2-CD1 3.27Å; N380-L391 CarbonylContact C-O 3.58Å; N380-L391 VanDerWaalsContact CA-O 3.29Å; N380-L391 WeakPolarHBondContact CA-O 3.27Å; N380-L391 VanDerWaalsContact CB-O 3.3Å; N380-L391 WeakPolarHBondContact CB-O 3.42Å; N380-C393 VanDerWaalsContact C-SG 3.53Å; N380-G401 CarbonylContact O-C 3.43Å; N380-G401 WeakPolarHBondContact O-CA 3.02Å; N380-L402 PolarHBondContact O-N 2.9Å
381C95.3Very high91Very high14 Ų1443.8 Ų43.810%0.09525%0.246CC..SBendtrans-106.733.9172.5-96.10000111.6L391 C393C381-L391 HydrophobicContact CB-CB 4.46Å; C381-L391 HydrophobicContact CB-CD2 4.22Å; C381-L391 HydrophobicContact CB-CG 4.27Å; C381-L391 PolarHBondContact N-O 3.11Å; C381-C393 WeakPolarHBondContact CA-SG 3.01Å; C381-C393 HydrophobicContact CB-CB 4.05Å; C381-C393 WeakPolarHBondContact CB-SG 3.46Å; C381-C393 PolarHBondContact N-SG 3.26Å; C381-C393 VanDerWaalsContact N-SG 3.39Å; C381-C393 WeakPolarHBondContact SG-CA 3.46Å; C381-C393 WeakPolarHBondContact SG-CB 2.97Å; C381-C393 CovalentContact SG-SG 2.01Å; C381-C393 PolarHBondContact SG-SG 2.94Å
382G92Very high91.1Very high11 Ų1149.2 Ų49.211%0.11327%0.269CS..  trans116166.5-175.900000113.1N380 L391N380-G382 WeakPolarHBondContact OD1-CA 3.35Å; N380-G382 PolarHBondContact OD1-N 2.88Å; N380-G382 PolarHBondContact OD1-O 3.44Å; G382-L391 PolarHBondContact O-N 3.06Å
383I88.6Confident91.1Very high36 Ų3649.7 Ų49.719%0.18527%0.272CS..EExtended strand (participates in β ladder)trans-120131.9-178.6-174.6173.9000109.5R385 F390I383-R385 HydrophobicContact CG2-CG 3.96Å; I383-R385 PolarHBondContact O-N 3.34Å; I383-F390 HydrophobicContact CB-CD1 4.22Å; I383-F390 HydrophobicContact CB-CE1 4.29Å; I383-F390 HydrophobicContact CD1-CD1 4.34Å; I383-F390 HydrophobicContact CD1-CE1 3.68Å; I383-F390 HydrophobicContact CD1-CZ 4.05Å; I383-F390 HydrophobicContact CG1-CD1 4.18Å; I383-F390 HydrophobicContact CG1-CE1 4.02Å
384N87Confident91.2Very high73 Ų7353.6 Ų53.639%0.3929%0.288SS..EExtended strand (participates in β ladder)trans-83.3100.4164.3-177.1-20.2000108.1Y386 N387 D388 T389N384-Y386 PolarHBondContact O-N 3.1Å; N384-Y386 WeakPolarHBondContact OD1-CB 3.35Å; N384-Y386 PolarHBondContact OD1-N 3.05Å; N384-Y386 VanDerWaalsContact OD1-N 3.15Å; N384-N387 WeakPolarHBondContact CB-OD1 3.04Å; N384-N387 PolarHBondContact O-N 3.22Å; N384-N387 PolarHBondContact O-OD1 3.04Å; N384-D388 WeakPolarHBondContact O-CA 3.09Å; N384-D388 PolarHBondContact O-N 3.46Å; N384-T389 PolarHBondContact N-O 3.03Å; N384-T389 PolarHBondContact O-N 3.23Å
385R82.3Confident91.3Very high23 Ų2353.4 Ų53.49%0.08729%0.292CS..THydrogen-bonded Turntrans-66.6-20-174.8-66.1176.1-178.8-84.4-5.8113.2H117 I383 I441 D442 D445 D449H117-R385 PolarHBondContact CE1-O 2.83Å; H117-R385 PolarHBondContact NE2-O 3.1Å; I383-R385 HydrophobicContact CG2-CG 3.96Å; I383-R385 PolarHBondContact O-N 3.34Å; R385-I441 PolarHBondContact NH2-O 3.35Å; R385-D442 IonicContact CZ-OD1 3.82Å; R385-D442 IonicContact NH1-OD1 2.66Å; R385-D442 PolarHBondContact NH1-OD1 3.01Å; R385-D442 IonicContact NH1-OD2 3.41Å; R385-D445 WeakPolarHBondContact CD-OD1 3.33Å; R385-D449 IonicContact NH2-OD2 3.39Å; R385-D449 PolarHBondContact NH2-OD2 3.46Å
386Y78Confident91.4Very high87 Ų8759.1 Ų59.134%0.34132%0.315SS..THydrogen-bonded Turntrans-70.9-32.1179.5-67.2-78.3000113.7H118 N384 D445H118-Y386 PolarHBondContact CE1-O 3.23Å; H118-Y386 VanDerWaalsContact CE1-O 3.28Å; N384-Y386 PolarHBondContact O-N 3.1Å; N384-Y386 WeakPolarHBondContact OD1-CB 3.35Å; N384-Y386 PolarHBondContact OD1-N 3.05Å; N384-Y386 VanDerWaalsContact OD1-N 3.15Å; Y386-D445 VanDerWaalsContact CZ-OD2 3.26Å; Y386-D445 PolarHBondContact OH-OD2 3.46Å
387N84Confident91.6Very high90 Ų9058.5 Ų58.548%0.48131%0.307SS..THydrogen-bonded Turntrans-127.96.4-176.268.7-3.1000113.5N384 T389N384-N387 WeakPolarHBondContact CB-OD1 3.04Å; N384-N387 PolarHBondContact O-N 3.22Å; N384-N387 PolarHBondContact O-OD1 3.04Å; N387-T389 VanDerWaalsContact C-N 3.26Å; N387-T389 HydrophobicContact CB-CG2 4.45Å; N387-T389 VanDerWaalsContact CG-OG1 3.29Å; N387-T389 PolarHBondContact ND2-OG1 2.94Å; N387-T389 PolarHBondContact O-N 3.44Å; N387-T389 WeakPolarHBondContact OD1-CB 3.5Å; N387-T389 WeakPolarHBondContact OD1-CG2 3.49Å; N387-T389 PolarHBondContact OD1-N 3.17Å; N387-T389 PolarHBondContact OD1-OG1 3.46Å
388D82.9Confident91.9Very high56 Ų5658.2 Ų58.230%0.29930%0.301SS..THydrogen-bonded Turntrans55.738.2-179.5-63.4-31.9000113.8K154 N384K154-D388 WeakPolarHBondContact CE-OD1 3.32Å; K154-D388 IonicContact NZ-OD1 3.8Å; K154-D388 PolarHBondContact NZ-OD1 2.78Å; K154-D388 IonicContact NZ-OD2 2.78Å; N384-D388 WeakPolarHBondContact O-CA 3.09Å; N384-D388 PolarHBondContact O-N 3.46Å
389T91.3Very high92.2Very high68 Ų6859.6 Ų59.642%0.41730%0.304SS..EExtended strand (participates in β ladder)trans-101.8143.3175.861.10000111.8N384 N387N384-T389 PolarHBondContact N-O 3.03Å; N384-T389 PolarHBondContact O-N 3.23Å; N387-T389 VanDerWaalsContact C-N 3.26Å; N387-T389 HydrophobicContact CB-CG2 4.45Å; N387-T389 VanDerWaalsContact CG-OG1 3.29Å; N387-T389 PolarHBondContact ND2-OG1 2.94Å; N387-T389 PolarHBondContact O-N 3.44Å; N387-T389 WeakPolarHBondContact OD1-CB 3.5Å; N387-T389 WeakPolarHBondContact OD1-CG2 3.49Å; N387-T389 PolarHBondContact OD1-N 3.17Å; N387-T389 PolarHBondContact OD1-OG1 3.46Å
390F93.4Very high92.3Very high41 Ų4159.4 Ų59.418%0.1830%0.303CS..EExtended strand (participates in β ladder)trans-101.4131.9-178.5-62.7-79.4000110.3G375 P377 N380 I383 L440 L702G375-F390 WeakPolarHBondContact O-CB 3.38Å; P377-F390 HydrophobicContact CB-CE2 4.25Å; P377-F390 HydrophobicContact CB-CZ 3.98Å; P377-F390 HydrophobicContact CG-CD2 4.5Å; P377-F390 HydrophobicContact CG-CE2 3.86Å; P377-F390 HydrophobicContact CG-CZ 4.1Å; N380-F390 HydrophobicContact CB-CB 3.93Å; N380-F390 HydrophobicContact CB-CD1 4.26Å; N380-F390 WeakPolarHBondContact ND2-CD1 3.27Å; I383-F390 HydrophobicContact CB-CD1 4.22Å; I383-F390 HydrophobicContact CB-CE1 4.29Å; I383-F390 HydrophobicContact CD1-CD1 4.34Å; I383-F390 HydrophobicContact CD1-CE1 3.68Å; I383-F390 HydrophobicContact CD1-CZ 4.05Å; I383-F390 HydrophobicContact CG1-CD1 4.18Å; I383-F390 HydrophobicContact CG1-CE1 4.02Å; F390-L440 HydrophobicContact CD1-CD1 4.48Å; F390-L440 HydrophobicContact CE1-CD1 3.64Å; F390-L440 HydrophobicContact CZ-CD1 4.43Å; F390-L702 HydrophobicContact CZ-CD1 4.27Å
391L94.2Very high92.3Very high108 Ų10859.4 Ų59.457%0.56530%0.303SS*.PPolyproline II helixtrans-80131.2178.5-175.462.2000110N380 C381 G382N380-L391 CarbonylContact C-O 3.58Å; N380-L391 VanDerWaalsContact CA-O 3.29Å; N380-L391 WeakPolarHBondContact CA-O 3.27Å; N380-L391 VanDerWaalsContact CB-O 3.3Å; N380-L391 WeakPolarHBondContact CB-O 3.42Å; C381-L391 HydrophobicContact CB-CB 4.46Å; C381-L391 HydrophobicContact CB-CD2 4.22Å; C381-L391 HydrophobicContact CB-CG 4.27Å; C381-L391 PolarHBondContact N-O 3.11Å; G382-L391 PolarHBondContact O-N 3.06Å
392K96.5Very high92.4Very high141 Ų14158.8 Ų58.861%0.61330%0.299SS*.PPolyproline II helixtrans-74.8135171.6-68.4-176.9-177-145.60110.3D374D374-K392 WeakPolarHBondContact O-CE 3.48Å; D374-K392 PolarHBondContact O-NZ 3.24Å
393C97.7Very high92.7Very high10 Ų1058.3 Ų58.37%0.06829%0.294CS..PPolyproline II helixtrans-74.6144.3171.3-660000112N372 N380 C381 M398N372-C393 HydrophobicContact CB-CB 4.2Å; N372-C393 VanDerWaalsContact CB-SG 3.59Å; N372-C393 WeakPolarHBondContact O-CB 3.45Å; N372-C393 PolarHBondContact O-N 3.43Å; N380-C393 VanDerWaalsContact C-SG 3.53Å; C381-C393 WeakPolarHBondContact CA-SG 3.01Å; C381-C393 HydrophobicContact CB-CB 4.05Å; C381-C393 WeakPolarHBondContact CB-SG 3.46Å; C381-C393 PolarHBondContact N-SG 3.26Å; C381-C393 VanDerWaalsContact N-SG 3.39Å; C381-C393 WeakPolarHBondContact SG-CA 3.46Å; C381-C393 WeakPolarHBondContact SG-CB 2.97Å; C381-C393 CovalentContact SG-SG 2.01Å; C381-C393 PolarHBondContact SG-SG 2.94Å; C393-M398 HydrophobicContact CB-CG 4.2Å
394L97.5Very high93.1Very high103 Ų10356.6 Ų56.654%0.53929%0.285SS..PPolyproline II helixtrans-67.9153.7162.4-65.1174.7000109.5Q396 D397 M398L394-Q396 HydrophobicContact CB-CG 4.42Å; L394-Q396 PolarHBondContact O-N 3.45Å; L394-Q396 VanDerWaalsContact O-N 3.11Å; L394-D397 HydrophobicContact CB-CB 4.41Å; L394-D397 WeakPolarHBondContact CB-OD2 3.32Å; L394-D397 PolarHBondContact O-N 3.24Å; L394-M398 PolarHBondContact O-N 2.04Å
395P95.9Very high93.5Very high106 Ų10653.2 Ų53.269%0.68827%0.267SS*.THydrogen-bonded Turntrans-52.9-37-178.1-29.335.9000114.8D397P395-D397 VanDerWaalsContact C-N 3.34Å
396Q95.7Very high94.2Very high135 Ų13555.6 Ų55.663%0.63128%0.281SS*.THydrogen-bonded Turntrans-75.3-21.6178.366.5-175.625.200113.9L394 C470L394-Q396 HydrophobicContact CB-CG 4.42Å; L394-Q396 PolarHBondContact O-N 3.45Å; L394-Q396 VanDerWaalsContact O-N 3.11Å; Q396-C470 VanDerWaalsContact O-CB 3.27Å; Q396-C470 WeakPolarHBondContact O-CB 3.49Å
397D97.8Very high94.9Very high6 Ų652.9 Ų52.93%0.03227%0.272CS..THydrogen-bonded Turntrans-100.1-1.7-173.9-61.1-37.9000112.3L394 P395 K399 C400 G401 K469 C470L394-D397 HydrophobicContact CB-CB 4.41Å; L394-D397 WeakPolarHBondContact CB-OD2 3.32Å; L394-D397 PolarHBondContact O-N 3.24Å; P395-D397 VanDerWaalsContact C-N 3.34Å; D397-K399 PolarHBondContact O-N 2.77Å; D397-K399 VanDerWaalsContact O-N 3.1Å; D397-C400 WeakPolarHBondContact O-CA 3.25Å; D397-C400 PolarHBondContact O-N 2.89Å; D397-G401 PolarHBondContact O-N 3.15Å; D397-K469 VanDerWaalsContact OD1-CA 3.32Å; D397-K469 WeakPolarHBondContact OD1-CA 3.35Å; D397-C470 PolarHBondContact OD1-N 2.81Å
398M97.5Very high95Very high51 Ų5157.7 Ų57.725%0.25129%0.288SS..G310 helixtrans-53.9-35.5-177.3-71.7-176.4172.300113.2N372 C393 L394 C400 G401N372-M398 PolarHBondContact ND2-O 3.38Å; C393-M398 HydrophobicContact CB-CG 4.2Å; L394-M398 PolarHBondContact O-N 2.04Å; M398-C400 PolarHBondContact O-N 2.03Å; M398-G401 PolarHBondContact O-N 3.39Å
399K97.2Very high95Very high89 Ų8957.8 Ų57.839%0.38729%0.289SS..G310 helixtrans-74-10.6176.7-72.6-171.7175.5-173.80114.6D397 V453 C459D397-K399 PolarHBondContact O-N 2.77Å; D397-K399 VanDerWaalsContact O-N 3.1Å; K399-V453 WeakPolarHBondContact O-CG2 3.4Å; K399-C459 HydrophobicContact CB-CB 4.18Å
400C97.6Very high94.4Very high0 Ų063.6 Ų63.60%031%0.311CS..G310 helixtrans-109.57.5178.8-58.40000112.8D397 M398 C465 Q468D397-C400 WeakPolarHBondContact O-CA 3.25Å; D397-C400 PolarHBondContact O-N 2.89Å; M398-C400 PolarHBondContact O-N 2.03Å; C400-C465 WeakPolarHBondContact CA-SG 3.06Å; C400-C465 HydrophobicContact CB-CB 3.68Å; C400-C465 WeakPolarHBondContact CB-SG 3.47Å; C400-C465 WeakPolarHBondContact SG-CA 3.29Å; C400-C465 WeakPolarHBondContact SG-CB 3.44Å; C400-C465 CovalentContact SG-SG 2.04Å; C400-C465 PolarHBondContact SG-SG 2.85Å; C400-Q468 VanDerWaalsContact O-CA 3.31Å; C400-Q468 WeakPolarHBondContact O-CA 3.25Å; C400-Q468 WeakPolarHBondContact O-CB 3.09Å; C400-Q468 PolarHBondContact O-NE2 3.48Å
401G96.8Very high93.8Very high0 Ų069 Ų690%033%0.33CS..SBendtrans-79.7-13617600000113.1N380 D397 M398 V453N380-G401 CarbonylContact O-C 3.43Å; N380-G401 WeakPolarHBondContact O-CA 3.02Å; D397-G401 PolarHBondContact O-N 3.15Å; M398-G401 PolarHBondContact O-N 3.39Å; G401-V453 WeakPolarHBondContact O-CB 3.45Å; G401-V453 WeakPolarHBondContact O-CG2 3.48Å; G401-V453 PolarHBondContact O-N 2.82Å
402L97Very high93.3Very high0 Ų064.9 Ų64.90%031%0.31CS..BIsolated β-bridgetrans-65.5132.2174.9-169.663.2000110.4N372 N380 T438 L440 G451 L452N372-L402 PolarHBondContact ND2-N 2.99Å; N372-L402 PolarHBondContact ND2-O 2.8Å; N372-L402 WeakPolarHBondContact OD1-CB 3.1Å; N380-L402 PolarHBondContact O-N 2.9Å; L402-T438 HydrophobicContact CD2-CG2 3.73Å; L402-T438 HydrophobicContact CG-CG2 4.06Å; L402-L440 HydrophobicContact CD1-CD2 3.43Å; L402-L440 VanDerWaalsContact CD1-CD2 3.43Å; L402-L440 HydrophobicContact CD1-CG 3.78Å; L402-L440 HydrophobicContact CD2-CG 4.39Å; L402-G451 WeakPolarHBondContact CD1-O 3.27Å; L402-L452 HydrophobicContact CB-CD2 4.4Å; L402-L452 HydrophobicContact CD1-CD2 3.98Å
403L97.5Very high92.6Very high2 Ų261.2 Ų61.21%0.0130%0.297CS..  trans-67.7134.9179.3-177.165.4000109.9L349 R352 L356 G451 V453L349-L403 HydrophobicContact CD2-CD1 3.75Å; R352-L403 HydrophobicContact CB-CD2 3.94Å; R352-L403 HydrophobicContact CG-CD2 3.44Å; R352-L403 VanDerWaalsContact CG-CD2 3.44Å; L356-L403 HydrophobicContact CD1-CD2 3.97Å; L403-G451 WeakPolarHBondContact CB-O 3.36Å; L403-G451 PolarHBondContact N-O 3.03Å; L403-V453 HydrophobicContact CB-CG2 4.23Å; L403-V453 HydrophobicContact CD1-CG2 3.98Å
404Q97Very high91.9Very high0 Ų061.7 Ų61.70%030%0.298CS..  trans-113.6118.9177.2-58.6-71-24.200107.8A364 C368 Y369 N378A364-Q404 HydrophobicContact CB-CB 3.82Å; A364-Q404 VanDerWaalsContact CB-O 3.3Å; A364-Q404 WeakPolarHBondContact CB-O 3.04Å; A364-Q404 PolarHBondContact N-O 3.27Å; C368-Q404 HydrophobicContact CB-CB 3.67Å; C368-Q404 HydrophobicContact CB-CG 3.76Å; Y369-Q404 HydrophobicContact CD1-CG 4.02Å; Y369-Q404 HydrophobicContact CD2-CB 4.26Å; Y369-Q404 HydrophobicContact CD2-CG 4.28Å; Y369-Q404 HydrophobicContact CE1-CB 4.23Å; Y369-Q404 HydrophobicContact CE1-CG 4.13Å; Y369-Q404 HydrophobicContact CE2-CB 3.95Å; Y369-Q404 HydrophobicContact CE2-CG 4.39Å; Y369-Q404 HydrophobicContact CG-CG 4.12Å; N378-Q404 PolarHBondContact O-NE2 3.25Å
405C96.8Very high91.1Very high1 Ų157.4 Ų57.41%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-117.3160.8177.9-580000111.3C353 L362 Q437C353-C405 WeakPolarHBondContact CA-SG 3.32Å; C353-C405 HydrophobicContact CB-CB 3.89Å; C353-C405 WeakPolarHBondContact CB-SG 3.31Å; C353-C405 WeakPolarHBondContact SG-CB 3.04Å; C353-C405 CovalentContact SG-SG 2.05Å; C353-C405 PolarHBondContact SG-SG 3.35Å; L362-C405 CarbonylContact O-C 3.42Å; L362-C405 VanDerWaalsContact O-CA 3.22Å; L362-C405 WeakPolarHBondContact O-CA 3.04Å; L362-C405 WeakPolarHBondContact O-CB 3.37Å; C405-Q437 PolarHBondContact N-O 2.95Å; C405-Q437 VanDerWaalsContact O-CB 3.27Å; C405-Q437 WeakPolarHBondContact O-CB 3.22Å; C405-Q437 WeakPolarHBondContact O-CG 3.5Å; C405-Q437 PolarHBondContact O-N 2.87Å
406D95.1Very high90.3Very high73 Ų7353.4 Ų53.439%0.3925%0.253SS..EExtended strand (participates in β ladder)trans-117.1137.7163.3-171.216.1000108.1L362 S435L362-D406 PolarHBondContact N-O 2.89Å; L362-D406 PolarHBondContact O-N 2.87Å; D406-S435 WeakPolarHBondContact OD1-CB 3.31Å; D406-S435 PolarHBondContact OD1-OG 3.41Å; D406-S435 VanDerWaalsContact OD1-OG 3.07Å
407H93.2Very high89.6Confident31 Ų3151.5 Ų51.514%0.14424%0.243CC..  trans-156.3170.9-175.567.483.5000111.9W357 N409 Q437W357-H407 HydrophobicContact CB-CB 3.77Å; W357-H407 HydrophobicContact CD2-CB 4.45Å; W357-H407 AromaticContact CD2-CD2 3.3Å; W357-H407 AromaticContact CD2-CG 3.78Å; W357-H407 AromaticContact CD2-NE2 3.58Å; W357-H407 AromaticContact CE2-CD2 3.6Å; W357-H407 AromaticContact CE2-NE2 3.76Å; W357-H407 AromaticContact CE3-CD2 3.51Å; W357-H407 AromaticContact CE3-CE1 3.47Å; W357-H407 VanDerWaalsContact CE3-CE1 3.47Å; W357-H407 AromaticContact CE3-CG 3.79Å; W357-H407 AromaticContact CE3-ND1 3.75Å; W357-H407 AromaticContact CE3-NE2 3.32Å; W357-H407 VanDerWaalsContact CE3-NE2 3.32Å; W357-H407 HydrophobicContact CG-CB 4.05Å; W357-H407 AromaticContact CG-CD2 3.69Å; W357-H407 AromaticContact CG-CG 3.9Å; W357-H407 AromaticContact CH2-NE2 3.48Å; W357-H407 WeakPolarHBondContact CH2-NE2 3.25Å; W357-H407 AromaticContact CZ2-NE2 3.74Å; W357-H407 AromaticContact CZ3-CD2 3.95Å; W357-H407 AromaticContact CZ3-CE1 3.46Å; W357-H407 VanDerWaalsContact CZ3-CE1 3.46Å; W357-H407 WeakPolarHBondContact CZ3-CE1 3.49Å; W357-H407 AromaticContact CZ3-NE2 3.27Å; W357-H407 VanDerWaalsContact CZ3-NE2 3.27Å; W357-H407 WeakPolarHBondContact CZ3-NE2 3.45Å; H407-N409 PolarHBondContact CE1-O 2.97Å; H407-N409 PolarHBondContact ND1-N 2.86Å; H407-N409 PolarHBondContact ND1-O 2.64Å; H407-Q437 VanDerWaalsContact CD2-CG 3.5Å; H407-Q437 WeakPolarHBondContact CD2-CG 3.05Å; H407-Q437 WeakPolarHBondContact NE2-CB 3.4Å; H407-Q437 VanDerWaalsContact NE2-CG 3.32Å; H407-Q437 WeakPolarHBondContact NE2-CG 3.49Å
408K87.4Confident88.7Confident191 Ų19152.3 Ų52.383%0.8325%0.249SC*.  trans-113.3-5.8176.9-61.5-178.7-177.6176.70114S360S360-K408 PolarHBondContact OG-N 2.87Å
409N81.8Confident88.1Confident58 Ų5850.6 Ų50.631%0.3124%0.241SC..  trans-78.5149.3-178.4-71.11.2000112.3W357 S360 H407W357-N409 PolarHBondContact O-ND2 2.98Å; S360-N409 PolarHBondContact OG-OD1 2.69Å; H407-N409 PolarHBondContact CE1-O 2.97Å; H407-N409 PolarHBondContact ND1-N 2.86Å; H407-N409 PolarHBondContact ND1-O 2.64Å
410E78Confident87.8Confident189 Ų18947 Ų4788%0.88323%0.227SC*.SBendtrans-78.8-22.6178.2-64.2-177.117500113.4
411R80.7Confident87.4Confident154 Ų15449.5 Ų49.558%0.58124%0.24SC*.SBendtrans-140.5159.1-175.8-65.6-174.8178.9159.66.2110.2
412T84.4Confident87.1Confident23 Ų2353 Ų5314%0.14126%0.261CS..  trans-65.1148.1168.557.60000109.7L356 W357 F414 V420 V422 A439L356-T412 CarbonylContact O-C 3.51Å; L356-T412 VanDerWaalsContact O-CA 3.29Å; L356-T412 WeakPolarHBondContact O-CA 3.21Å; L356-T412 WeakPolarHBondContact O-CB 3.11Å; W357-T412 HydrophobicContact CD2-CG2 4.32Å; W357-T412 HydrophobicContact CE3-CG2 3.89Å; W357-T412 HydrophobicContact CH2-CG2 3.51Å; W357-T412 HydrophobicContact CZ2-CG2 3.95Å; W357-T412 HydrophobicContact CZ3-CG2 3.47Å; W357-T412 VanDerWaalsContact CZ3-CG2 3.47Å; T412-F414 WeakPolarHBondContact CB-O 3.39Å; T412-F414 PolarHBondContact OG1-O 2.04Å; T412-V420 HydrophobicContact CG2-CG1 4.02Å; T412-V422 HydrophobicContact CG2-CG2 4.06Å; T412-A439 HydrophobicContact CG2-CB 3.83Å
413N83Confident86.9Confident63 Ų6353.2 Ų53.234%0.33726%0.263SS..SBendtrans-81.6-28.1166.8-72.68.2000110.3H226 L356 G358H226-N413 PolarHBondContact CD2-O 2.65Å; L356-N413 PolarHBondContact O-N 2.93Å; G358-N413 VanDerWaalsContact CA-ND2 3.25Å; G358-N413 WeakPolarHBondContact CA-ND2 3.25Å; G358-N413 PolarHBondContact N-ND2 2.84Å
414F81.7Confident86.6Confident20 Ų2056.8 Ų56.89%0.08829%0.288CS..SBendtrans-96.6143.1-176.5-160.6-85.7000112.5L355 L356 T412 V420 I441 I443 P450L355-F414 HydrophobicContact CD1-CD2 3.88Å; L355-F414 HydrophobicContact CD1-CE2 4.13Å; L355-F414 HydrophobicContact CD2-CD2 4.36Å; L355-F414 HydrophobicContact CD2-CE2 4.34Å; L355-F414 HydrophobicContact CG-CD2 3.95Å; L355-F414 HydrophobicContact CG-CE2 4.34Å; L356-F414 HydrophobicContact CD2-CB 4.01Å; L356-F414 HydrophobicContact CD2-CG 4.36Å; T412-F414 WeakPolarHBondContact CB-O 3.39Å; T412-F414 PolarHBondContact OG1-O 2.04Å; F414-V420 WeakPolarHBondContact O-CG2 3.32Å; F414-I441 HydrophobicContact CB-CD1 4.39Å; F414-I441 HydrophobicContact CD1-CD1 3.74Å; F414-I441 HydrophobicContact CD1-CG2 4.21Å; F414-I441 HydrophobicContact CE1-CG2 4.34Å; F414-I441 HydrophobicContact CG-CD1 4.49Å; F414-I443 HydrophobicContact CE1-CG2 4.26Å; F414-P450 HydrophobicContact CD1-CG 4.11Å; F414-P450 HydrophobicContact CE1-CB 4.35Å; F414-P450 HydrophobicContact CE1-CG 3.6Å; F414-P450 HydrophobicContact CZ-CG 4.26Å
415G81.2Confident86.5Confident13 Ų1357.8 Ų57.813%0.13430%0.297CS..SBendtrans72.1176.118000000114.2H226H226-G415 PolarHBondContact O-N 2.87Å
416S80Confident86.3Confident23 Ų2362.1 Ų62.116%0.16132%0.323CS..  trans-103.1161.7176.879.80000110.9G148 S418 T419 V420G148-S416 VanDerWaalsContact O-CB 3.26Å; G148-S416 WeakPolarHBondContact O-CB 3.48Å; G148-S416 PolarHBondContact O-OG 2.86Å; S416-S418 PolarHBondContact O-N 3.18Å; S416-S418 PolarHBondContact OG-N 3.29Å; S416-T419 PolarHBondContact N-OG1 3.03Å; S416-T419 VanDerWaalsContact N-OG1 3.15Å; S416-T419 PolarHBondContact O-N 3.27Å; S416-T419 PolarHBondContact O-OG1 2.93Å; S416-T419 PolarHBondContact OG-N 2.89Å; S416-T419 PolarHBondContact OG-OG1 3.1Å; S416-V420 WeakPolarHBondContact O-CB 3.21Å; S416-V420 VanDerWaalsContact O-CG2 3.26Å; S416-V420 WeakPolarHBondContact O-CG2 3.14Å; S416-V420 PolarHBondContact O-N 2.86Å
417K79.5Confident86.1Confident95 Ų9560.9 Ų60.941%0.41332%0.317SS..THydrogen-bonded Turntrans-55.1-27.3173.8-69.8-176.3172.4-169.10113.5
418S79Confident86Confident22 Ų2269.5 Ų69.515%0.15435%0.348CS..THydrogen-bonded Turntrans-78.3-26.8-179.7-57.80000112.4S416S416-S418 PolarHBondContact O-N 3.18Å; S416-S418 PolarHBondContact OG-N 3.29Å
419T86.3Confident86.2Confident15 Ų1566.5 Ų66.59%0.09234%0.336CS..THydrogen-bonded Turntrans-108.1-11.7-175.360.30000114T149 S416 D442T149-T419 HydrophobicContact CG2-CG2 4.21Å; S416-T419 PolarHBondContact N-OG1 3.03Å; S416-T419 VanDerWaalsContact N-OG1 3.15Å; S416-T419 PolarHBondContact O-N 3.27Å; S416-T419 PolarHBondContact O-OG1 2.93Å; S416-T419 PolarHBondContact OG-N 2.89Å; S416-T419 PolarHBondContact OG-OG1 3.1Å; T419-D442 PolarHBondContact O-N 3.37Å
420V89.3Confident86.7Confident14 Ų1467.5 Ų67.59%0.08536%0.361CS..EExtended strand (participates in β ladder)trans-106.3126.7-178.6-178.60000111T412 F414 S416 V422 A439 L440 I441T412-V420 HydrophobicContact CG2-CG1 4.02Å; F414-V420 WeakPolarHBondContact O-CG2 3.32Å; S416-V420 WeakPolarHBondContact O-CB 3.21Å; S416-V420 VanDerWaalsContact O-CG2 3.26Å; S416-V420 WeakPolarHBondContact O-CG2 3.14Å; S416-V420 PolarHBondContact O-N 2.86Å; V420-V422 HydrophobicContact CG1-CG2 3.84Å; V420-A439 HydrophobicContact CG1-CB 4.1Å; V420-L440 CarbonylContact C-O 3.52Å; V420-L440 WeakPolarHBondContact CA-O 3.19Å; V420-I441 HydrophobicContact CG1-CG1 4.37Å; V420-I441 HydrophobicContact CG2-CD1 4.23Å; V420-I441 HydrophobicContact CG2-CG1 4.14Å; V420-I441 HydrophobicContact CG2-CG2 4.06Å
421L89.5Confident87.3Confident53 Ų5364.7 Ų64.728%0.27736%0.362SS..EExtended strand (participates in β ladder)trans-104.9109.3166.4178.972.6000109.4P377 A439 L440 L702P377-L421 HydrophobicContact CB-CD2 4.2Å; L421-A439 WeakPolarHBondContact O-CA 3.45Å; L421-L440 HydrophobicContact CB-CB 4.27Å; L421-L440 HydrophobicContact CD2-CD1 4.14Å; L421-L440 PolarHBondContact N-O 2.79Å; L421-L440 PolarHBondContact O-N 2.05Å; L421-L702 HydrophobicContact CD1-CD2 3.82Å; L421-L702 HydrophobicContact CD2-CD2 3.37Å; L421-L702 HydrophobicContact CG-CD2 4.2Å
422V91.6Very high87.8Confident73 Ų7359.2 Ų59.244%0.44235%0.35SS..EExtended strand (participates in β ladder)trans-86.8136176.1177.70000110.6W357 T412 V420 T438W357-V422 HydrophobicContact CH2-CG1 3.81Å; W357-V422 HydrophobicContact CH2-CG2 4.15Å; T412-V422 HydrophobicContact CG2-CG2 4.06Å; V420-V422 HydrophobicContact CG1-CG2 3.84Å; V422-T438 CarbonylContact C-O 3.57Å; V422-T438 WeakPolarHBondContact CA-O 3.49Å
423G91.8Very high88.3Confident5 Ų562.1 Ų62.15%0.05237%0.368CS..EExtended strand (participates in β ladder)trans-120.2138.3170.900000110.1N378 T438N378-G423 WeakPolarHBondContact OD1-CA 3.32Å; G423-T438 VanDerWaalsContact CA-OG1 3.32Å; G423-T438 WeakPolarHBondContact CA-OG1 3.33Å; G423-T438 PolarHBondContact N-O 2.92Å; G423-T438 PolarHBondContact N-OG1 2.81Å; G423-T438 PolarHBondContact O-N 3.3Å; G423-T438 PolarHBondContact O-OG1 3.1Å
424S92.3Very high88.8Confident76 Ų7661.1 Ų61.153%0.53136%0.36SS..EExtended strand (participates in β ladder)trans-131.5128.2178.8-163.10000109.8Q437S424-Q437 PolarHBondContact OG-NE2 3.32Å; S424-Q437 PolarHBondContact OG-OE1 3.47Å
425A93Very high89.3Confident22 Ų2261.7 Ų61.718%0.18237%0.367CS..EExtended strand (participates in β ladder)trans-139.9156.2175.800000110.5M371 C436M371-A425 HydrophobicContact CE-CB 3.86Å; M371-A425 HydrophobicContact SD-CB 4.02Å; A425-C436 HydrophobicContact CB-CB 4.28Å; A425-C436 PolarHBondContact N-O 3.22Å; A425-C436 PolarHBondContact O-N 3.45Å
426T92.6Very high90Very high92 Ų9261.1 Ų61.156%0.56436%0.361SS*.EExtended strand (participates in β ladder)trans-129.7117.4175.9-580000108.7T433 F434T426-T433 HydrophobicContact CG2-CG2 3.12Å; T426-F434 CarbonylContact C-O 3.44Å; T426-F434 WeakPolarHBondContact CA-O 3.38Å
427L92Very high90.8Very high47 Ų4761 Ų6125%0.24636%0.358CS..EExtended strand (participates in β ladder)trans-98.3132.2179-64.2-179.8000110M371 T433 F434 C436M371-L427 HydrophobicContact SD-CD1 4.37Å; M371-L427 HydrophobicContact SD-CD2 4.34Å; L427-T433 CarbonylContact O-C 3.32Å; L427-T433 WeakPolarHBondContact O-CA 3.46Å; L427-F434 PolarHBondContact N-O 3.36Å; L427-F434 PolarHBondContact O-N 3.31Å; L427-C436 VanDerWaalsContact CD1-SG 3.6Å
428R91.5Very high91.5Very high212 Ų21256.6 Ų56.680%0.834%0.339SS*.EExtended strand (participates in β ladder)trans-106.2127.7172.3-70.4-176.3176.4171.81.1109.6A432 T433R428-A432 WeakPolarHBondContact CA-O 3.25Å; R428-T433 HydrophobicContact CG-CG2 4.3Å
429H90.4Very high92.2Very high127 Ų12755.6 Ų55.659%0.58833%0.332SS*.EExtended strand (participates in β ladder)trans-134.5108.2173.7-16878000109.1L367 S431 A432 F434L367-H429 HydrophobicContact CD1-CB 3.96Å; H429-S431 PolarHBondContact O-N 2.04Å; H429-A432 PolarHBondContact N-O 2.81Å; H429-A432 PolarHBondContact O-N 2.92Å; H429-A432 VanDerWaalsContact O-N 3.13Å; H429-F434 HydrophobicContact CB-CE2 3.94Å
430G92Very high92.4Very high80 Ų8055.4 Ų55.483%0.82533%0.33SS*.THydrogen-bonded Turntrans62.2-128.3-168.300000111.2
431S91.1Very high92.5Very high129 Ų12954.8 Ų54.890%0.90233%0.326SS*.THydrogen-bonded Turntrans-86.7-10.8173.858.20000113.7H429H429-S431 PolarHBondContact O-N 2.04Å
432A92.7Very high92.5Very high40 Ų4052.9 Ų52.933%0.33132%0.316SS..EExtended strand (participates in β ladder)trans-84.5140.4-178.500000110.8R428 H429 F434R428-A432 WeakPolarHBondContact CA-O 3.25Å; H429-A432 PolarHBondContact N-O 2.81Å; H429-A432 PolarHBondContact O-N 2.92Å; H429-A432 VanDerWaalsContact O-N 3.13Å; A432-F434 HydrophobicContact CB-CE1 4.29Å; A432-F434 HydrophobicContact CB-CE2 4.09Å; A432-F434 HydrophobicContact CB-CZ 3.73Å
433T93.1Very high92.2Very high84 Ų8450.2 Ų50.252%0.51530%0.299SS..EExtended strand (participates in β ladder)trans-120.1130.3175.7-58.50000108.3T426 L427 R428T426-T433 HydrophobicContact CG2-CG2 3.12Å; L427-T433 CarbonylContact O-C 3.32Å; L427-T433 WeakPolarHBondContact O-CA 3.46Å; R428-T433 HydrophobicContact CG-CG2 4.3Å
434F93.6Very high91.8Very high41 Ų4150.2 Ų50.218%0.1830%0.299CS..EExtended strand (participates in β ladder)trans-116.7128.9-178.4-54.4-68.8000109.9H365 L367 T426 L427 H429 A432H365-F434 HydrophobicContact CB-CB 4.21Å; H365-F434 HydrophobicContact CB-CD1 3.46Å; H365-F434 VanDerWaalsContact CB-CD1 3.46Å; H365-F434 HydrophobicContact CB-CE1 3.93Å; H365-F434 HydrophobicContact CB-CG 3.86Å; H365-F434 AromaticContact CD2-CE1 3.63Å; H365-F434 AromaticContact CE1-CZ 3.74Å; H365-F434 AromaticContact CG-CD1 3.59Å; H365-F434 AromaticContact CG-CE1 3.52Å; H365-F434 AromaticContact CG-CZ 3.95Å; H365-F434 AromaticContact ND1-CE1 3.8Å; H365-F434 AromaticContact ND1-CE2 3.91Å; H365-F434 AromaticContact ND1-CZ 3.74Å; L367-F434 HydrophobicContact CD1-CD2 4.09Å; L367-F434 HydrophobicContact CD1-CE2 3.64Å; L367-F434 HydrophobicContact CD1-CZ 4.42Å; T426-F434 CarbonylContact C-O 3.44Å; T426-F434 WeakPolarHBondContact CA-O 3.38Å; L427-F434 PolarHBondContact N-O 3.36Å; L427-F434 PolarHBondContact O-N 3.31Å; H429-F434 HydrophobicContact CB-CE2 3.94Å; A432-F434 HydrophobicContact CB-CE1 4.29Å; A432-F434 HydrophobicContact CB-CE2 4.09Å; A432-F434 HydrophobicContact CB-CZ 3.73Å
435S93.9Very high91Very high32 Ų3249.6 Ų49.622%0.22429%0.29CS..EExtended strand (participates in β ladder)trans-81.3128.7171.3177.40000108.9D406 Q437D406-S435 WeakPolarHBondContact OD1-CB 3.31Å; D406-S435 PolarHBondContact OD1-OG 3.41Å; D406-S435 VanDerWaalsContact OD1-OG 3.07Å; S435-Q437 PolarHBondContact OG-NE2 2.04Å
436C95.4Very high89.9Confident1 Ų153 Ų531%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-125.9105.6179.9-520000108.2C368 A425 L427C368-C436 VanDerWaalsContact CA-SG 3.58Å; C368-C436 HydrophobicContact CB-CB 3.65Å; C368-C436 WeakPolarHBondContact CB-SG 3.32Å; C368-C436 VanDerWaalsContact SG-CA 3.59Å; C368-C436 WeakPolarHBondContact SG-CB 3.22Å; C368-C436 CovalentContact SG-SG 2.04Å; C368-C436 PolarHBondContact SG-SG 3Å; A425-C436 HydrophobicContact CB-CB 4.28Å; A425-C436 PolarHBondContact N-O 3.22Å; A425-C436 PolarHBondContact O-N 3.45Å; L427-C436 VanDerWaalsContact CD1-SG 3.6Å
437Q95.4Very high89.1Confident21 Ų2152.7 Ų52.710%0.09829%0.294CS..EExtended strand (participates in β ladder)trans-116.5133.7-175.8-50.4-65.2-24.400109.6W357 C405 H407 S424 S435W357-Q437 HydrophobicContact CZ2-CB 4.19Å; C405-Q437 PolarHBondContact N-O 2.95Å; C405-Q437 VanDerWaalsContact O-CB 3.27Å; C405-Q437 WeakPolarHBondContact O-CB 3.22Å; C405-Q437 WeakPolarHBondContact O-CG 3.5Å; C405-Q437 PolarHBondContact O-N 2.87Å; H407-Q437 VanDerWaalsContact CD2-CG 3.5Å; H407-Q437 WeakPolarHBondContact CD2-CG 3.05Å; H407-Q437 WeakPolarHBondContact NE2-CB 3.4Å; H407-Q437 VanDerWaalsContact NE2-CG 3.32Å; H407-Q437 WeakPolarHBondContact NE2-CG 3.49Å; S424-Q437 PolarHBondContact OG-NE2 3.32Å; S424-Q437 PolarHBondContact OG-OE1 3.47Å; S435-Q437 PolarHBondContact OG-NE2 2.04Å
438T95Very high88.8Confident3 Ų353.8 Ų53.82%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-130.7148-177.262.60000109.9L402 V422 G423L402-T438 HydrophobicContact CD2-CG2 3.73Å; L402-T438 HydrophobicContact CG-CG2 4.06Å; V422-T438 CarbonylContact C-O 3.57Å; V422-T438 WeakPolarHBondContact CA-O 3.49Å; G423-T438 VanDerWaalsContact CA-OG1 3.32Å; G423-T438 WeakPolarHBondContact CA-OG1 3.33Å; G423-T438 PolarHBondContact N-O 2.92Å; G423-T438 PolarHBondContact N-OG1 2.81Å; G423-T438 PolarHBondContact O-N 3.3Å; G423-T438 PolarHBondContact O-OG1 3.1Å
439A93.5Very high88.7Confident1 Ų144.2 Ų44.21%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-134.7118.9169.800000108W357 T412 V420 L421 I441 G451W357-A439 HydrophobicContact CH2-CB 4.5Å; W357-A439 HydrophobicContact CZ2-CB 3.97Å; T412-A439 HydrophobicContact CG2-CB 3.83Å; V420-A439 HydrophobicContact CG1-CB 4.1Å; L421-A439 WeakPolarHBondContact O-CA 3.45Å; A439-I441 HydrophobicContact CB-CD1 4.38Å; A439-I441 HydrophobicContact CB-CG1 4.35Å; A439-G451 WeakPolarHBondContact O-CA 3.42Å
440L90.9Very high88.7Confident11 Ų1138.3 Ų38.36%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-93.9128.8168.9-79.1165.9000108.2P377 F390 L402 V420 L421P377-L440 VanDerWaalsContact O-CD1 3.3Å; P377-L440 WeakPolarHBondContact O-CD1 3.24Å; F390-L440 HydrophobicContact CD1-CD1 4.48Å; F390-L440 HydrophobicContact CE1-CD1 3.64Å; F390-L440 HydrophobicContact CZ-CD1 4.43Å; L402-L440 HydrophobicContact CD1-CD2 3.43Å; L402-L440 VanDerWaalsContact CD1-CD2 3.43Å; L402-L440 HydrophobicContact CD1-CG 3.78Å; L402-L440 HydrophobicContact CD2-CG 4.39Å; V420-L440 CarbonylContact C-O 3.52Å; V420-L440 WeakPolarHBondContact CA-O 3.19Å; L421-L440 HydrophobicContact CB-CB 4.27Å; L421-L440 HydrophobicContact CD2-CD1 4.14Å; L421-L440 PolarHBondContact N-O 2.79Å; L421-L440 PolarHBondContact O-N 2.05Å
441I90.4Very high88.8Confident1 Ų134.5 Ų34.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-125125.8-168.9-48.9-167.4000110.1L356 R385 F414 V420 A439 I443 D449 P450L356-I441 HydrophobicContact CD2-CD1 3.53Å; R385-I441 PolarHBondContact NH2-O 3.35Å; F414-I441 HydrophobicContact CB-CD1 4.39Å; F414-I441 HydrophobicContact CD1-CD1 3.74Å; F414-I441 HydrophobicContact CD1-CG2 4.21Å; F414-I441 HydrophobicContact CE1-CG2 4.34Å; F414-I441 HydrophobicContact CG-CD1 4.49Å; V420-I441 HydrophobicContact CG1-CG1 4.37Å; V420-I441 HydrophobicContact CG2-CD1 4.23Å; V420-I441 HydrophobicContact CG2-CG1 4.14Å; V420-I441 HydrophobicContact CG2-CG2 4.06Å; A439-I441 HydrophobicContact CB-CD1 4.38Å; A439-I441 HydrophobicContact CB-CG1 4.35Å; I441-I443 HydrophobicContact CG2-CG2 3.88Å; I441-I443 PolarHBondContact O-N 2.8Å; I441-D449 PolarHBondContact N-OD1 3.08Å; I441-D449 PolarHBondContact N-OD2 3.22Å; I441-D449 VanDerWaalsContact O-CG 3.25Å; I441-P450 HydrophobicContact CB-CG 3.96Å; I441-P450 HydrophobicContact CD1-CG 4.14Å; I441-P450 HydrophobicContact CG1-CG 4.41Å; I441-P450 HydrophobicContact CG2-CG 4.22Å
442D90.3Very high89Confident12 Ų1229.2 Ų29.26%0.06417%0.169CC..  trans-89.594.8175.8-17118.9000112.5S152 A153 K154 R385 T419S152-D442 WeakPolarHBondContact CB-OD2 3.5Å; S152-D442 PolarHBondContact OG-OD2 3.3Å; A153-D442 PolarHBondContact N-OD1 3.46Å; A153-D442 PolarHBondContact N-OD2 3.48Å; K154-D442 PolarHBondContact N-OD2 3.18Å; R385-D442 IonicContact CZ-OD1 3.82Å; R385-D442 IonicContact NH1-OD1 2.66Å; R385-D442 PolarHBondContact NH1-OD1 3.01Å; R385-D442 IonicContact NH1-OD2 3.41Å; T419-D442 PolarHBondContact O-N 3.37Å
443I86.2Confident89.3Confident17 Ų1727.3 Ų27.39%0.08715%0.154CC..SBendtrans-115.418.4173.660.6162.6000113C151 A230 F414 I441 R447 P450C151-I443 CarbonylContact O-C 3.47Å; A230-I443 HydrophobicContact CB-CB 4.27Å; A230-I443 HydrophobicContact CB-CD1 3.98Å; F414-I443 HydrophobicContact CE1-CG2 4.26Å; I441-I443 HydrophobicContact CG2-CG2 3.88Å; I441-I443 PolarHBondContact O-N 2.8Å; I443-R447 HydrophobicContact CD1-CB 4.08Å; I443-R447 HydrophobicContact CG1-CB 4.42Å; I443-P450 HydrophobicContact CD1-CG 4.03Å
444G82.8Confident89.4Confident5 Ų524.3 Ų24.35%0.05214%0.136CC..  trans115.5172.3-178.600000114.1C151C151-G444 VanDerWaalsContact O-CA 3.23Å; C151-G444 WeakPolarHBondContact O-CA 3.45Å; C151-G444 PolarHBondContact O-N 2.98Å
445D74.5Confident89.6Confident64 Ų6424 Ų2434%0.34214%0.136SC..SBendtrans-92.8-24.9179.4-83.44.3000112.5R385 Y386 R447R385-D445 WeakPolarHBondContact CD-OD1 3.33Å; Y386-D445 VanDerWaalsContact CZ-OD2 3.26Å; Y386-D445 PolarHBondContact OH-OD2 3.46Å; D445-R447 VanDerWaalsContact C-N 3.35Å
446D71.2Confident89.7Confident92 Ų9222.5 Ų22.549%0.49213%0.125SC..SBendtrans-88.8-2.4-175.269.3-42.3000113.2
447R76.3Confident89.8Confident86 Ų8622.4 Ų22.433%0.32513%0.125SC..SBendtrans-122.7148.7179.8-64.1-66.1-170.8-85.3-10.2111.1A230 N234 I443 D445 D449A230-R447 PolarHBondContact O-NE 3.41Å; A230-R447 PolarHBondContact O-NH2 3.05Å; N234-R447 PolarHBondContact OD1-NH2 2.99Å; I443-R447 HydrophobicContact CD1-CB 4.08Å; I443-R447 HydrophobicContact CG1-CB 4.42Å; D445-R447 VanDerWaalsContact C-N 3.35Å; R447-D449 PolarHBondContact O-N 2.65Å
448A84.1Confident89.9Confident71 Ų7124.8 Ų24.859%0.58714%0.138SC*.  trans-71.3127176.100000110.5P450A448-P450 WeakPolarHBondContact O-CD 3.37Å
449D90.1Very high90Very high10 Ų1025.2 Ų25.25%0.05314%0.141CC..  trans-57.5123.1177.8-178.1-21000110.5R385 I441 R447 G451 L452R385-D449 IonicContact NH2-OD2 3.39Å; R385-D449 PolarHBondContact NH2-OD2 3.46Å; I441-D449 PolarHBondContact N-OD1 3.08Å; I441-D449 PolarHBondContact N-OD2 3.22Å; I441-D449 VanDerWaalsContact O-CG 3.25Å; R447-D449 PolarHBondContact O-N 2.65Å; D449-G451 PolarHBondContact O-N 2.83Å; D449-G451 WeakPolarHBondContact OD1-CA 3.46Å; D449-G451 PolarHBondContact OD1-N 2.94Å; D449-L452 HydrophobicContact CB-CD1 4Å; D449-L452 HydrophobicContact CB-CG 4.02Å; D449-L452 WeakPolarHBondContact O-CB 3.01Å; D449-L452 PolarHBondContact O-N 3.25Å
450P90.9Very high90Very high3 Ų325.7 Ų25.72%0.01915%0.147CC..THydrogen-bonded Turntrans-68.6-14.2-17823.9-29.5000115.6R352 L356 F414 I441 I443 A448 L452R352-P450 VanDerWaalsContact CZ-CA 3.43Å; R352-P450 VanDerWaalsContact CZ-CB 3.42Å; R352-P450 PolarHBondContact NE-O 2.91Å; L356-P450 HydrophobicContact CD2-CB 4.32Å; F414-P450 HydrophobicContact CD1-CG 4.11Å; F414-P450 HydrophobicContact CE1-CB 4.35Å; F414-P450 HydrophobicContact CE1-CG 3.6Å; F414-P450 HydrophobicContact CZ-CG 4.26Å; I441-P450 HydrophobicContact CB-CG 3.96Å; I441-P450 HydrophobicContact CD1-CG 4.14Å; I441-P450 HydrophobicContact CG1-CG 4.41Å; I441-P450 HydrophobicContact CG2-CG 4.22Å; I443-P450 HydrophobicContact CD1-CG 4.03Å; A448-P450 WeakPolarHBondContact O-CD 3.37Å; P450-L452 VanDerWaalsContact C-N 3.29Å
451G93.9Very high90.2Very high0 Ų031.6 Ų31.60%019%0.185CC..THydrogen-bonded Turntrans-68.3-19.3166.700000116.1L402 L403 A439 D449L402-G451 WeakPolarHBondContact CD1-O 3.27Å; L403-G451 WeakPolarHBondContact CB-O 3.36Å; L403-G451 PolarHBondContact N-O 3.03Å; A439-G451 WeakPolarHBondContact O-CA 3.42Å; D449-G451 PolarHBondContact O-N 2.83Å; D449-G451 WeakPolarHBondContact OD1-CA 3.46Å; D449-G451 PolarHBondContact OD1-N 2.94Å
452L95.8Very high90.3Very high18 Ų1833.7 Ų33.79%0.09421%0.208CC..BIsolated β-bridgetrans-85.3157.6178.1-63.7175.1000111L402 D449 P450 Q468L402-L452 HydrophobicContact CB-CD2 4.4Å; L402-L452 HydrophobicContact CD1-CD2 3.98Å; D449-L452 HydrophobicContact CB-CD1 4Å; D449-L452 HydrophobicContact CB-CG 4.02Å; D449-L452 WeakPolarHBondContact O-CB 3.01Å; D449-L452 PolarHBondContact O-N 3.25Å; P450-L452 VanDerWaalsContact C-N 3.29Å; L452-Q468 HydrophobicContact CD1-CG 4.17Å
453V97.6Very high90.7Very high0 Ų037.2 Ų37.20%022%0.222CC..PPolyproline II helixtrans-59.7125.2170.3171.80000108.7L349 Y369 K399 G401 L403 A457 C465 Q468L349-V453 HydrophobicContact CD2-CG1 3.85Å; L349-V453 HydrophobicContact CD2-CG2 4.34Å; Y369-V453 HydrophobicContact CE1-CG2 3.74Å; K399-V453 WeakPolarHBondContact O-CG2 3.4Å; G401-V453 WeakPolarHBondContact O-CB 3.45Å; G401-V453 WeakPolarHBondContact O-CG2 3.48Å; G401-V453 PolarHBondContact O-N 2.82Å; L403-V453 HydrophobicContact CB-CG2 4.23Å; L403-V453 HydrophobicContact CD1-CG2 3.98Å; V453-A457 HydrophobicContact CG1-CB 3.48Å; V453-A457 VanDerWaalsContact CG1-CB 3.48Å; V453-C465 HydrophobicContact CG1-CB 4.09Å; V453-Q468 PolarHBondContact O-NE2 2.81Å
454P96.8Very high91.2Very high21 Ų2136.4 Ų36.414%0.13622%0.218CC..PPolyproline II helixtrans-69.6155.9-175.529.1-34.6000111.1R352 A457R352-P454 HydrophobicContact CB-CG 4.26Å; R352-P454 HydrophobicContact CG-CG 4.32Å; P454-A457 HydrophobicContact CG-CB 4.38Å; P454-A457 VanDerWaalsContact O-CB 3.31Å; P454-A457 WeakPolarHBondContact O-CB 3.41Å; P454-A457 PolarHBondContact O-N 3.25Å
455N96.2Very high91.9Very high35 Ų3536.2 Ų36.219%0.18722%0.216CC..THydrogen-bonded Turntrans-58.6146.6167.1-65.9-24.9000109.7A342 G347 A457 C465 F466 Q467A342-N455 HydrophobicContact CB-CB 3.59Å; G347-N455 WeakPolarHBondContact CA-O 3.4Å; N455-A457 VanDerWaalsContact C-N 3.28Å; N455-A457 PolarHBondContact O-N 3.22Å; N455-C465 CarbonylContact C-O 3.56Å; N455-C465 VanDerWaalsContact CA-O 3.25Å; N455-C465 WeakPolarHBondContact CA-O 3.29Å; N455-F466 HydrophobicContact CB-CD2 4.21Å; N455-F466 WeakPolarHBondContact OD1-CA 3.46Å; N455-Q467 PolarHBondContact OD1-N 3.3Å
456G96.8Very high92.9Very high0 Ų035.1 Ų35.10%021%0.208CC..THydrogen-bonded Turntrans81.5-2.3-176.100000114.8W340 C465W340-G456 WeakPolarHBondContact CB-O 3.34Å; W340-G456 VanDerWaalsContact CD1-O 3.31Å; W340-G456 PolarHBondContact N-O 3.08Å; W340-G456 VanDerWaalsContact O-CA 3.32Å; W340-G456 WeakPolarHBondContact O-CA 3.42Å; G456-C465 PolarHBondContact N-O 3.21Å
457A97.9Very high94Very high0 Ų037.4 Ų37.40%022%0.216CC..BIsolated β-bridgetrans-68.1141.4173.700000112G347 L349 V453 P454 N455 C459 M464 C465G347-A457 WeakPolarHBondContact O-CA 3.49Å; G347-A457 WeakPolarHBondContact O-CB 3.48Å; G347-A457 PolarHBondContact O-N 2.8Å; L349-A457 HydrophobicContact CD2-CB 3.78Å; L349-A457 HydrophobicContact CG-CB 4.19Å; V453-A457 HydrophobicContact CG1-CB 3.48Å; V453-A457 VanDerWaalsContact CG1-CB 3.48Å; P454-A457 HydrophobicContact CG-CB 4.38Å; P454-A457 VanDerWaalsContact O-CB 3.31Å; P454-A457 WeakPolarHBondContact O-CB 3.41Å; P454-A457 PolarHBondContact O-N 3.25Å; N455-A457 VanDerWaalsContact C-N 3.28Å; N455-A457 PolarHBondContact O-N 3.22Å; A457-C459 PolarHBondContact O-N 3.12Å; A457-M464 CarbonylContact O-C 3.56Å; A457-M464 WeakPolarHBondContact O-CA 3.3Å; A457-C465 HydrophobicContact CB-CB 4.2Å; A457-C465 PolarHBondContact O-N 2.91Å
458D96.6Very high94.9Very high71 Ų7134.7 Ų34.738%0.3821%0.207SC..EExtended strand (participates in β ladder)trans-64.6128.4174.2-179.571.9000111.2
459C96.5Very high95.5Very high11 Ų1137.1 Ų37.17%0.07420%0.204CC..EExtended strand (participates in β ladder)trans-123.3-1.217467.20000113K399 A457 K463 C470K399-C459 HydrophobicContact CB-CB 4.18Å; A457-C459 PolarHBondContact O-N 3.12Å; C459-K463 PolarHBondContact N-O 3.4Å; C459-C470 HydrophobicContact CB-CB 3.8Å; C459-C470 WeakPolarHBondContact CB-SG 3.16Å; C459-C470 WeakPolarHBondContact SG-CA 3.48Å; C459-C470 WeakPolarHBondContact SG-CB 3.12Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 3.43Å
460G94.8Very high95.8Very high12 Ų1237.4 Ų37.412%0.12421%0.207CC..EExtended strand (participates in β ladder)trans159.2173.5177.200000112.1G462 K463G460-G462 PolarHBondContact O-N 3.05Å; G460-G462 VanDerWaalsContact O-N 3.12Å; G460-K463 WeakPolarHBondContact O-CB 3.22Å; G460-K463 PolarHBondContact O-N 3.17Å
461P94.3Very high96.1Very high134 Ų13439 Ų3987%0.8722%0.216SC*.THydrogen-bonded Turntrans-56.7119.4-175.3-24.734.1000112.6K463P461-K463 PolarHBondContact O-N 3.43Å
462G93.5Very high96.2Very high46 Ų4641.9 Ų41.947%0.47423%0.234SC..THydrogen-bonded Turntrans65.721-178.300000114.2G460 V473G460-G462 PolarHBondContact O-N 3.05Å; G460-G462 VanDerWaalsContact O-N 3.12Å; G462-V473 PolarHBondContact O-N 2.99Å; G462-V473 VanDerWaalsContact O-N 3.08Å
463K97.1Very high96.1Very high86 Ų8641.6 Ų41.637%0.37423%0.233SC..EExtended strand (participates in β ladder)trans-128.5149.4-177.8-62.9-173.5-179.5-173.10111.4C459 G460 P461 V471 T472C459-K463 PolarHBondContact N-O 3.4Å; G460-K463 WeakPolarHBondContact O-CB 3.22Å; G460-K463 PolarHBondContact O-N 3.17Å; P461-K463 PolarHBondContact O-N 3.43Å; K463-V471 CarbonylContact C-O 3.33Å; K463-V471 WeakPolarHBondContact CA-O 3.5Å; K463-V471 WeakPolarHBondContact CB-O 3.04Å; K463-T472 HydrophobicContact CG-CG2 4.36Å
464M97Very high95.8Very high0 Ų045.8 Ų45.80%026%0.262CS..EExtended strand (participates in β ladder)trans-138.7158.117669.8-175-175.600111.6W340 A457 V471 V473 V476W340-M464 HydrophobicContact CB-CB 4.41Å; W340-M464 HydrophobicContact CB-SD 3.49Å; W340-M464 WeakPolarHBondContact CB-SD 3.1Å; W340-M464 VanDerWaalsContact CD1-CB 3.46Å; W340-M464 HydrophobicContact CG-CB 4.02Å; W340-M464 HydrophobicContact CG-SD 3.81Å; A457-M464 CarbonylContact O-C 3.56Å; A457-M464 WeakPolarHBondContact O-CA 3.3Å; M464-V471 PolarHBondContact N-O 3.01Å; M464-V471 WeakPolarHBondContact O-CG2 3.47Å; M464-V471 PolarHBondContact O-N 2.62Å; M464-V473 HydrophobicContact CB-CG2 4.28Å; M464-V473 HydrophobicContact CG-CG2 4.15Å; M464-V473 HydrophobicContact SD-CG1 4.39Å; M464-V473 HydrophobicContact SD-CG2 4.15Å; M464-V476 HydrophobicContact CE-CB 3.29Å; M464-V476 HydrophobicContact CE-CG1 3.57Å; M464-V476 HydrophobicContact CE-CG2 3.39Å
465C97.7Very high95.5Very high0 Ų048.3 Ų48.30%028%0.28CS..EExtended strand (participates in β ladder)trans-72.8130.6171.3-64.60000110.1C400 V453 N455 G456 A457 K469C400-C465 WeakPolarHBondContact CA-SG 3.06Å; C400-C465 HydrophobicContact CB-CB 3.68Å; C400-C465 WeakPolarHBondContact CB-SG 3.47Å; C400-C465 WeakPolarHBondContact SG-CA 3.29Å; C400-C465 WeakPolarHBondContact SG-CB 3.44Å; C400-C465 CovalentContact SG-SG 2.04Å; C400-C465 PolarHBondContact SG-SG 2.85Å; V453-C465 HydrophobicContact CG1-CB 4.09Å; N455-C465 CarbonylContact C-O 3.56Å; N455-C465 VanDerWaalsContact CA-O 3.25Å; N455-C465 WeakPolarHBondContact CA-O 3.29Å; G456-C465 PolarHBondContact N-O 3.21Å; A457-C465 HydrophobicContact CB-CB 4.2Å; A457-C465 PolarHBondContact O-N 2.91Å; C465-K469 CarbonylContact C-O 3.51Å; C465-K469 WeakPolarHBondContact CA-O 3.41Å
466F95.7Very high95.1Very high42 Ų4247.6 Ų47.618%0.18428%0.277CS..EExtended strand (participates in β ladder)trans-146.2121.6171-164.2-97.2000108.7A342 N455 Q468 K469 V471 V476A342-F466 HydrophobicContact CB-CD2 4.48Å; N455-F466 HydrophobicContact CB-CD2 4.21Å; N455-F466 WeakPolarHBondContact OD1-CA 3.46Å; F466-Q468 VanDerWaalsContact C-N 3.29Å; F466-Q468 PolarHBondContact O-N 2.75Å; F466-K469 PolarHBondContact N-O 2.77Å; F466-K469 PolarHBondContact O-N 2.72Å; F466-K469 VanDerWaalsContact O-N 3.1Å; F466-V471 HydrophobicContact CB-CG2 3.76Å; F466-V476 HydrophobicContact CB-CG2 4.01Å; F466-V476 HydrophobicContact CD1-CG2 4.28Å; F466-V476 HydrophobicContact CD2-CG1 3.71Å; F466-V476 HydrophobicContact CD2-CG2 4.12Å; F466-V476 HydrophobicContact CE1-CG1 4.46Å; F466-V476 HydrophobicContact CE2-CG1 3.56Å; F466-V476 HydrophobicContact CG-CG1 4.22Å; F466-V476 HydrophobicContact CG-CG2 3.89Å; F466-V476 HydrophobicContact CZ-CG1 3.97Å
467Q93.6Very high94.2Very high139 Ų13951.8 Ų51.865%0.6530%0.297SS*.THydrogen-bonded Turntrans51.548.3-175.6-60.8178.5-14.400112.4N455 K469N455-Q467 PolarHBondContact OD1-N 3.3Å; Q467-K469 PolarHBondContact O-N 3.38Å; Q467-K469 VanDerWaalsContact O-N 3.15Å
468Q95.4Very high92.6Very high29 Ų2955.5 Ų55.514%0.13632%0.32CS..THydrogen-bonded Turntrans57.822.3-179.3-47.8-23.599.300115.2C400 L452 V453 F466C400-Q468 VanDerWaalsContact O-CA 3.31Å; C400-Q468 WeakPolarHBondContact O-CA 3.25Å; C400-Q468 WeakPolarHBondContact O-CB 3.09Å; C400-Q468 PolarHBondContact O-NE2 3.48Å; L452-Q468 HydrophobicContact CD1-CG 4.17Å; V453-Q468 PolarHBondContact O-NE2 2.81Å; F466-Q468 VanDerWaalsContact C-N 3.29Å; F466-Q468 PolarHBondContact O-N 2.75Å
469K96.7Very high90.9Very high122 Ų12261.6 Ų61.653%0.5335%0.346SS..EExtended strand (participates in β ladder)trans-119.1145.8173-65.3177.8-177.31730110.8D397 C465 F466 Q467 V471D397-K469 VanDerWaalsContact OD1-CA 3.32Å; D397-K469 WeakPolarHBondContact OD1-CA 3.35Å; C465-K469 CarbonylContact C-O 3.51Å; C465-K469 WeakPolarHBondContact CA-O 3.41Å; F466-K469 PolarHBondContact N-O 2.77Å; F466-K469 PolarHBondContact O-N 2.72Å; F466-K469 VanDerWaalsContact O-N 3.1Å; Q467-K469 PolarHBondContact O-N 3.38Å; Q467-K469 VanDerWaalsContact O-N 3.15Å; K469-V471 HydrophobicContact CB-CG1 4.08Å; K469-V471 PolarHBondContact O-N 3.09Å
470C97.8Very high89.6Confident16 Ų1665.6 Ų65.611%0.10837%0.367CS..EExtended strand (participates in β ladder)trans-88.5102.8174.5-176.30000109.8Q396 D397 C459Q396-C470 VanDerWaalsContact O-CB 3.27Å; Q396-C470 WeakPolarHBondContact O-CB 3.49Å; D397-C470 PolarHBondContact OD1-N 2.81Å; C459-C470 HydrophobicContact CB-CB 3.8Å; C459-C470 WeakPolarHBondContact CB-SG 3.16Å; C459-C470 WeakPolarHBondContact SG-CA 3.48Å; C459-C470 WeakPolarHBondContact SG-CB 3.12Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 3.43Å
471V96.8Very high88.7Confident36 Ų3668.8 Ų68.822%0.21839%0.392CS..EExtended strand (participates in β ladder)trans-115.7162.9-174.3-59.50000111.1K463 M464 F466 K469 V476K463-V471 CarbonylContact C-O 3.33Å; K463-V471 WeakPolarHBondContact CA-O 3.5Å; K463-V471 WeakPolarHBondContact CB-O 3.04Å; M464-V471 PolarHBondContact N-O 3.01Å; M464-V471 WeakPolarHBondContact O-CG2 3.47Å; M464-V471 PolarHBondContact O-N 2.62Å; F466-V471 HydrophobicContact CB-CG2 3.76Å; K469-V471 HydrophobicContact CB-CG1 4.08Å; K469-V471 PolarHBondContact O-N 3.09Å; V471-V476 HydrophobicContact CG2-CG2 3.67Å
472T96.3Very high88.4Confident62 Ų6263 Ų6338%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-72.1142.3173.255.50000110K463 S474 S475K463-T472 HydrophobicContact CG-CG2 4.36Å; T472-S474 PolarHBondContact O-N 3.44Å; T472-S474 PolarHBondContact OG1-OG 3.16Å; T472-S475 WeakPolarHBondContact O-CB 3.02Å; T472-S475 PolarHBondContact O-N 3.16Å; T472-S475 PolarHBondContact O-OG 3.16Å
473V94Very high87.9Confident12 Ų1267.3 Ų67.37%0.07336%0.36CS..G310 helixtrans-56.6-39.7-179.61770000111.4W340 G462 M464 S475 V476 Q477W340-V473 HydrophobicContact CD2-CG1 4.36Å; W340-V473 HydrophobicContact CD2-CG2 3.78Å; W340-V473 HydrophobicContact CE3-CG1 3.91Å; W340-V473 HydrophobicContact CE3-CG2 4.06Å; W340-V473 HydrophobicContact CG-CG2 4.35Å; W340-V473 HydrophobicContact CH2-CG2 4.04Å; W340-V473 HydrophobicContact CZ2-CG2 3.79Å; W340-V473 HydrophobicContact CZ3-CG1 4Å; W340-V473 HydrophobicContact CZ3-CG2 4.16Å; G462-V473 PolarHBondContact O-N 2.99Å; G462-V473 VanDerWaalsContact O-N 3.08Å; M464-V473 HydrophobicContact CB-CG2 4.28Å; M464-V473 HydrophobicContact CG-CG2 4.15Å; M464-V473 HydrophobicContact SD-CG1 4.39Å; M464-V473 HydrophobicContact SD-CG2 4.15Å; V473-S475 PolarHBondContact O-N 3.35Å; V473-S475 VanDerWaalsContact O-N 3.12Å; V473-V476 PolarHBondContact O-N 2.87Å; V473-Q477 PolarHBondContact O-N 2.81Å
474S90.5Very high87.3Confident87 Ų8767.8 Ų67.861%0.60837%0.367SS*.G310 helixtrans-62.2-16.8176.458.30000115.2T472T472-S474 PolarHBondContact O-N 3.44Å; T472-S474 PolarHBondContact OG1-OG 3.16Å
475S90.5Very high86.9Confident74 Ų7473.4 Ų73.452%0.51740%0.397SS..G310 helixtrans-85.3-16.7179.868.10000113.8T472 V473T472-S475 WeakPolarHBondContact O-CB 3.02Å; T472-S475 PolarHBondContact O-N 3.16Å; T472-S475 PolarHBondContact O-OG 3.16Å; V473-S475 PolarHBondContact O-N 3.35Å; V473-S475 VanDerWaalsContact O-N 3.12Å
476V88Confident86.7Confident20 Ų2073.4 Ų73.412%0.12140%0.397CS..THydrogen-bonded Turntrans-98.6-25.7178-176.40000110.9D330 M464 F466 V471 V473 T478D330-V476 HydrophobicContact CB-CG1 3.89Å; M464-V476 HydrophobicContact CE-CB 3.29Å; M464-V476 HydrophobicContact CE-CG1 3.57Å; M464-V476 HydrophobicContact CE-CG2 3.39Å; F466-V476 HydrophobicContact CB-CG2 4.01Å; F466-V476 HydrophobicContact CD1-CG2 4.28Å; F466-V476 HydrophobicContact CD2-CG1 3.71Å; F466-V476 HydrophobicContact CD2-CG2 4.12Å; F466-V476 HydrophobicContact CE1-CG1 4.46Å; F466-V476 HydrophobicContact CE2-CG1 3.56Å; F466-V476 HydrophobicContact CG-CG1 4.22Å; F466-V476 HydrophobicContact CG-CG2 3.89Å; F466-V476 HydrophobicContact CZ-CG1 3.97Å; V471-V476 HydrophobicContact CG2-CG2 3.67Å; V473-V476 PolarHBondContact O-N 2.87Å; V476-T478 PolarHBondContact O-N 2.84Å
477Q78.6Confident86.6Confident88 Ų8876.9 Ų76.941%0.41141%0.409SS..SBendtrans-61.7110.9172.2-75173.7-8.800109.7D330 G331 V473D330-Q477 WeakPolarHBondContact O-CG 3.41Å; G331-Q477 PolarHBondContact O-NE2 2.85Å; V473-Q477 PolarHBondContact O-N 2.81Å
478T63.3Low86.6Confident79 Ų7973.2 Ų73.249%0.48541%0.409SS..  trans-59.8153.6178.4-26.10000111.3H329 V476 N480H329-T478 PolarHBondContact CE1-N 2.04Å; V476-T478 PolarHBondContact O-N 2.84Å; T478-N480 PolarHBondContact O-N 3.25Å
479E62.1Low86.6Confident199 Ų19976.6 Ų76.693%0.9342%0.421SS*.SBendtrans-58.6-16.3176.6-71.1-176.3164.300113.8A481E479-A481 PolarHBondContact O-N 2.93Å
480N68Low86.5Confident95 Ų9571.4 Ų71.451%0.50840%0.403SS..  trans-80.847.5-179.3-60.5-14.7000112.6T478 C482 G496T478-N480 PolarHBondContact O-N 3.25Å; N480-C482 PolarHBondContact O-N 3.45Å; N480-G496 VanDerWaalsContact O-CA 3.24Å; N480-G496 WeakPolarHBondContact O-CA 2.96Å
481A75.8Confident86.3Confident78 Ų7872.9 Ų72.965%0.64541%0.411SS*.PPolyproline II helixtrans-62.3132.9173.600000110.1E479 K483E479-A481 PolarHBondContact O-N 2.93Å; A481-K483 PolarHBondContact O-N 3.21Å
482C87.2Confident86.2Confident14 Ų1471.6 Ų71.610%0.09540%0.403CS..PPolyproline II helixtrans-61.8137175.6-69.50000110.6N480 D484 D485 C492 G496 H497N480-C482 PolarHBondContact O-N 3.45Å; C482-D484 PolarHBondContact O-N 2.64Å; C482-D485 PolarHBondContact O-N 2.96Å; C482-C492 HydrophobicContact CB-CB 3.62Å; C482-C492 WeakPolarHBondContact CB-SG 3.31Å; C482-C492 PolarHBondContact N-SG 2.7Å; C482-C492 VanDerWaalsContact N-SG 3.36Å; C482-C492 WeakPolarHBondContact SG-CA 3.43Å; C482-C492 WeakPolarHBondContact SG-CB 3.35Å; C482-C492 CovalentContact SG-SG 2.03Å; C482-C492 PolarHBondContact SG-SG 2.99Å; C482-G496 PolarHBondContact SG-O 2.94Å; C482-H497 VanDerWaalsContact SG-C 3.53Å
483K83.2Confident86.1Confident136 Ų13668.6 Ų68.659%0.59139%0.385SS*.G310 helixtrans-58.8131.9178.3-173.5-173.2170.4-150.40110.3A481 D485 C486 D508A481-K483 PolarHBondContact O-N 3.21Å; K483-D485 PolarHBondContact O-N 3.41Å; K483-C486 PolarHBondContact O-N 2.92Å; K483-D508 IonicContact NZ-OD2 3.26Å
484D85.3Confident86Confident95 Ų9570.4 Ų70.451%0.50840%0.395SS..G310 helixtrans51.926.3176.6-59.9-49.8000114.4C482 C486 Y487C482-D484 PolarHBondContact O-N 2.64Å; D484-C486 PolarHBondContact O-N 3.45Å; D484-Y487 HydrophobicContact CB-CD2 4.09Å; D484-Y487 HydrophobicContact CB-CE2 3.91Å; D484-Y487 PolarHBondContact O-N 3.14Å
485D89.2Confident86Confident118 Ų11870.3 Ų70.363%0.63139%0.387SS*.G310 helixtrans50.143.1-177.6-164.233.6000112.9C482 K483 Y487 G488C482-D485 PolarHBondContact O-N 2.96Å; K483-D485 PolarHBondContact O-N 3.41Å; D485-Y487 PolarHBondContact O-N 2.85Å; D485-Y487 VanDerWaalsContact O-N 3.09Å; D485-G488 PolarHBondContact O-N 2.78Å; D485-G488 VanDerWaalsContact O-N 3.1Å
486C93.7Very high86Confident0 Ų067.7 Ų67.70%037%0.371CS..G310 helixtrans56.728.7-179.1-51.70000113.5K483 D484 G488 Y489 C498 D508K483-C486 PolarHBondContact O-N 2.92Å; D484-C486 PolarHBondContact O-N 3.45Å; C486-G488 PolarHBondContact O-N 3.06Å; C486-Y489 PolarHBondContact O-N 2.87Å; C486-C498 WeakPolarHBondContact CA-SG 2.99Å; C486-C498 HydrophobicContact CB-CB 3.71Å; C486-C498 WeakPolarHBondContact CB-SG 3.38Å; C486-C498 VanDerWaalsContact SG-CA 3.52Å; C486-C498 WeakPolarHBondContact SG-CB 3.25Å; C486-C498 CovalentContact SG-SG 2.03Å; C486-C498 PolarHBondContact SG-SG 3.46Å; C486-D508 CarbonylContact C-O 3.57Å; C486-D508 WeakPolarHBondContact CA-O 3.02Å
487Y93.2Very high86.3Confident115 Ų11570.1 Ų70.145%0.45138%0.381SS..G310 helixtrans53.218.1-175.8-78.9-94.5000114.4D484 D485 Y489 D508D484-Y487 HydrophobicContact CB-CD2 4.09Å; D484-Y487 HydrophobicContact CB-CE2 3.91Å; D484-Y487 PolarHBondContact O-N 3.14Å; D485-Y487 PolarHBondContact O-N 2.85Å; D485-Y487 VanDerWaalsContact O-N 3.09Å; Y487-Y489 VanDerWaalsContact O-CD2 3.31Å; Y487-Y489 WeakPolarHBondContact O-CD2 3.36Å; Y487-Y489 PolarHBondContact O-N 3.27Å; Y487-D508 HydrophobicContact CD2-CB 4.13Å; Y487-D508 WeakPolarHBondContact CD2-O 3.33Å; Y487-D508 HydrophobicContact CE2-CB 4.21Å; Y487-D508 WeakPolarHBondContact CE2-OD2 3.4Å
488G92.7Very high87.1Confident62 Ų6266.2 Ų66.264%0.63936%0.364SS*.G310 helixtrans71.78.4-173.600000115.2D485 C486D485-G488 PolarHBondContact O-N 2.78Å; D485-G488 VanDerWaalsContact O-N 3.1Å; C486-G488 PolarHBondContact O-N 3.06Å
489Y95.1Very high88.7Confident100 Ų10063.3 Ų63.339%0.39234%0.344SS..SBendtrans-109.316.7177.6-60.5-67.9000112.9C486 Y487 I501 Y504C486-Y489 PolarHBondContact O-N 2.87Å; Y487-Y489 VanDerWaalsContact O-CD2 3.31Å; Y487-Y489 WeakPolarHBondContact O-CD2 3.36Å; Y487-Y489 PolarHBondContact O-N 3.27Å; Y489-I501 HydrophobicContact CD1-CD1 4.14Å; Y489-I501 WeakPolarHBondContact O-CG1 3.04Å; Y489-I501 PolarHBondContact O-N 2.88Å; Y489-Y504 HydrophobicContact CD1-CD1 4.08Å; Y489-Y504 HydrophobicContact CD1-CD2 4.15Å; Y489-Y504 AromaticContact CD1-CE1 3.59Å; Y489-Y504 HydrophobicContact CD1-CE1 3.59Å; Y489-Y504 AromaticContact CD1-CE2 3.67Å; Y489-Y504 HydrophobicContact CD1-CE2 3.67Å; Y489-Y504 HydrophobicContact CD1-CG 4.34Å; Y489-Y504 AromaticContact CD1-CZ 3.36Å; Y489-Y504 AromaticContact CD2-CD1 3.92Å; Y489-Y504 HydrophobicContact CD2-CD1 3.92Å; Y489-Y504 AromaticContact CD2-CE1 3.74Å; Y489-Y504 HydrophobicContact CD2-CE1 3.74Å; Y489-Y504 AromaticContact CE1-CE1 3.77Å; Y489-Y504 HydrophobicContact CE1-CE1 3.77Å; Y489-Y504 HydrophobicContact CE1-CE2 4.14Å; Y489-Y504 AromaticContact CE1-CZ 3.46Å; Y489-Y504 VanDerWaalsContact CE1-CZ 3.46Å; Y489-Y504 VanDerWaalsContact CE1-OH 3.24Å; Y489-Y504 WeakPolarHBondContact CE1-OH 3.32Å; Y489-Y504 AromaticContact CE2-CE1 3.92Å; Y489-Y504 HydrophobicContact CE2-CE1 3.92Å; Y489-Y504 AromaticContact CG-CD1 3.67Å; Y489-Y504 HydrophobicContact CG-CD1 3.67Å; Y489-Y504 HydrophobicContact CG-CD2 4.3Å; Y489-Y504 AromaticContact CG-CE1 3.57Å; Y489-Y504 HydrophobicContact CG-CE1 3.57Å; Y489-Y504 HydrophobicContact CG-CE2 4.21Å; Y489-Y504 HydrophobicContact CG-CG 4.04Å; Y489-Y504 AromaticContact CG-CZ 3.85Å; Y489-Y504 AromaticContact CZ-CE1 3.93Å
490G94.8Very high90.3Very high14 Ų1453.9 Ų53.914%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-163179.5176.600000111.2H499G490-H499 CarbonylContact C-O 3.59Å; G490-H499 WeakPolarHBondContact CA-O 3.03Å
491T94.3Very high91.6Very high46 Ų4653.6 Ų53.628%0.28230%0.298SS..EExtended strand (participates in β ladder)trans-121.9136.3173.1-58.30000109.3K328 I332 N493 H499K328-T491 HydrophobicContact CB-CG2 4.22Å; K328-T491 HydrophobicContact CD-CG2 3.9Å; K328-T491 HydrophobicContact CG-CG2 3.77Å; I332-T491 HydrophobicContact CD1-CG2 4.02Å; T491-N493 PolarHBondContact O-N 3.21Å; T491-H499 PolarHBondContact N-O 3.2Å; T491-H499 PolarHBondContact O-N 3.18Å
492C93.8Very high92.5Very high9 Ų954 Ų546%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-68.4126.3175.4-163.90000110.6H329 C482H329-C492 HydrophobicContact CB-CB 4.33Å; H329-C492 WeakPolarHBondContact CB-O 3.39Å; H329-C492 PolarHBondContact N-O 2.96Å; C482-C492 HydrophobicContact CB-CB 3.62Å; C482-C492 WeakPolarHBondContact CB-SG 3.31Å; C482-C492 PolarHBondContact N-SG 2.7Å; C482-C492 VanDerWaalsContact N-SG 3.36Å; C482-C492 WeakPolarHBondContact SG-CA 3.43Å; C482-C492 WeakPolarHBondContact SG-CB 3.35Å; C482-C492 CovalentContact SG-SG 2.03Å; C482-C492 PolarHBondContact SG-SG 2.99Å
493N94Very high92.7Very high0 Ų055.2 Ų55.20%031%0.307CS..BIsolated β-bridgetrans-83.4173.3174.375.29.4000111.7L311 H327 T491 L495 G496 H497 D519L311-N493 HydrophobicContact CD1-CB 3.69Å; H327-N493 CarbonylContact O-C 3.46Å; H327-N493 VanDerWaalsContact O-CA 3.22Å; H327-N493 WeakPolarHBondContact O-CA 3.48Å; T491-N493 PolarHBondContact O-N 3.21Å; N493-L495 PolarHBondContact O-N 2.79Å; N493-L495 VanDerWaalsContact O-N 3.16Å; N493-L495 WeakPolarHBondContact OD1-CA 3.35Å; N493-L495 PolarHBondContact OD1-N 3.24Å; N493-G496 PolarHBondContact O-N 3.48Å; N493-G496 VanDerWaalsContact O-N 3.16Å; N493-G496 PolarHBondContact OD1-N 2.85Å; N493-G496 VanDerWaalsContact OD1-N 3.14Å; N493-H497 PolarHBondContact N-O 2.81Å; N493-H497 PolarHBondContact OD1-N 3.16Å; N493-H497 PolarHBondContact OD1-O 2.04Å; N493-H497 VanDerWaalsContact OD1-O 3.06Å; N493-D519 PolarHBondContact ND2-OD2 2.93Å
494N92Very high93.2Very high50 Ų5052.6 Ų52.627%0.26729%0.294SS..THydrogen-bonded Turntrans-64.4-11.6178.563.5-49.6000115.1H327H327-N494 WeakPolarHBondContact CE1-CB 3.01Å; H327-N494 PolarHBondContact N-OD1 3.48Å; H327-N494 VanDerWaalsContact N-OD1 3.16Å; H327-N494 PolarHBondContact NE2-ND2 2.92Å; H327-N494 PolarHBondContact O-N 2.85Å; H327-N494 PolarHBondContact O-OD1 3.42Å
495L91.4Very high93.5Very high84 Ų8448.5 Ų48.544%0.4427%0.274SS..THydrogen-bonded Turntrans-97.6-2.9177.2-59.2177.4000113T326 N493 D519T326-L495 HydrophobicContact CG2-CD1 4.26Å; N493-L495 PolarHBondContact O-N 2.79Å; N493-L495 VanDerWaalsContact O-N 3.16Å; N493-L495 WeakPolarHBondContact OD1-CA 3.35Å; N493-L495 PolarHBondContact OD1-N 3.24Å; L495-D519 HydrophobicContact CD1-CB 4.16Å
496G90.8Very high93.6Very high19 Ų1945.1 Ų45.120%0.19627%0.268CS..SBendtrans82.720.5-178.300000114N480 C482 N493N480-G496 VanDerWaalsContact O-CA 3.24Å; N480-G496 WeakPolarHBondContact O-CA 2.96Å; C482-G496 PolarHBondContact SG-O 2.94Å; N493-G496 PolarHBondContact O-N 3.48Å; N493-G496 VanDerWaalsContact O-N 3.16Å; N493-G496 PolarHBondContact OD1-N 2.85Å; N493-G496 VanDerWaalsContact OD1-N 3.14Å
497H93.4Very high93.4Very high72 Ų7251.8 Ų51.833%0.33330%0.302SS..  trans-111.4149.9174.2-56.1143.5000111.1C482 N493 V518 D519C482-H497 VanDerWaalsContact SG-C 3.53Å; N493-H497 PolarHBondContact N-O 2.81Å; N493-H497 PolarHBondContact OD1-N 3.16Å; N493-H497 PolarHBondContact OD1-O 2.04Å; N493-H497 VanDerWaalsContact OD1-O 3.06Å; H497-V518 HydrophobicContact CB-CG2 4.11Å; H497-V518 WeakPolarHBondContact ND1-CG2 3.47Å; H497-D519 IonicContact CE1-OD1 3.97Å; H497-D519 IonicContact CE1-OD2 2.78Å; H497-D519 IonicContact CG-OD2 3.97Å; H497-D519 IonicContact ND1-OD1 3.55Å; H497-D519 PolarHBondContact ND1-OD1 3.33Å; H497-D519 IonicContact ND1-OD2 3.51Å; H497-D519 PolarHBondContact ND1-OD2 3.36Å
498C95.6Very high93.4Very high6 Ų647.4 Ų47.44%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-81128.6179.2-68.50000111.8C486 I507 C509 S517C486-C498 WeakPolarHBondContact CA-SG 2.99Å; C486-C498 HydrophobicContact CB-CB 3.71Å; C486-C498 WeakPolarHBondContact CB-SG 3.38Å; C486-C498 VanDerWaalsContact SG-CA 3.52Å; C486-C498 WeakPolarHBondContact SG-CB 3.25Å; C486-C498 CovalentContact SG-SG 2.03Å; C486-C498 PolarHBondContact SG-SG 3.46Å; C498-I507 WeakPolarHBondContact CB-O 3.46Å; C498-C509 VanDerWaalsContact CB-SG 3.52Å; C498-S517 WeakPolarHBondContact O-CB 3.4Å
499H96.2Very high93.5Very high17 Ų1744.4 Ų44.48%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-92.6102.6165-170.4108.5000108.8L311 P312 G490 T491 S520L311-H499 HydrophobicContact CD1-CB 3.94Å; L311-H499 HydrophobicContact CD2-CB 4.36Å; P312-H499 PolarHBondContact O-CE1 3.33Å; G490-H499 CarbonylContact C-O 3.59Å; G490-H499 WeakPolarHBondContact CA-O 3.03Å; T491-H499 PolarHBondContact N-O 3.2Å; T491-H499 PolarHBondContact O-N 3.18Å; H499-S520 PolarHBondContact ND1-OG 3.39Å
500C96.4Very high93.5Very high2 Ų242.5 Ų42.51%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-83.6145.2-172-55.50000112.5C509 G515 G516C500-C509 WeakPolarHBondContact CA-SG 3.38Å; C500-C509 HydrophobicContact CB-CB 3.85Å; C500-C509 WeakPolarHBondContact CB-SG 3.33Å; C500-C509 WeakPolarHBondContact SG-CA 3.22Å; C500-C509 WeakPolarHBondContact SG-CB 3.24Å; C500-C509 CovalentContact SG-SG 2.03Å; C500-C509 PolarHBondContact SG-SG 2.87Å; C500-G515 CarbonylContact O-C 3.55Å; C500-G515 WeakPolarHBondContact O-CA 3.33Å; C500-G516 PolarHBondContact N-O 3.48Å; C500-G516 PolarHBondContact O-N 3.47Å
501I95.3Very high93.4Very high89 Ų8945.1 Ų45.146%0.45627%0.27SS..PPolyproline II helixtrans-67.8151.7169.371.8-171.9000110.3Y489 G503 Y504Y489-I501 HydrophobicContact CD1-CD1 4.14Å; Y489-I501 WeakPolarHBondContact O-CG1 3.04Å; Y489-I501 PolarHBondContact O-N 2.88Å; I501-G503 PolarHBondContact O-N 2.94Å; I501-Y504 HydrophobicContact CD1-CD2 3.84Å; I501-Y504 HydrophobicContact CD1-CE2 3.91Å; I501-Y504 HydrophobicContact CG1-CD2 3.5Å; I501-Y504 HydrophobicContact CG1-CE2 4.08Å; I501-Y504 HydrophobicContact CG1-CG 4.37Å; I501-Y504 PolarHBondContact O-N 3.07Å
502V93.9Very high93.3Very high87 Ų8748.9 Ų48.953%0.52730%0.295SS..THydrogen-bonded Turntrans-54131.6177.7172.90000110.9A523 S524V502-A523 HydrophobicContact CG2-CB 3.81Å; V502-S524 WeakPolarHBondContact CG1-OG 3.41Å
503G91.6Very high93.2Very high39 Ų3949.8 Ų49.840%0.40231%0.306SS..EExtended strand (participates in β ladder)trans102-18.3-17500000113.7I501 P512 G513I501-G503 PolarHBondContact O-N 2.94Å; G503-P512 WeakPolarHBondContact O-CA 3.4Å; G503-G513 CarbonylContact C-O 3.57Å; G503-G513 VanDerWaalsContact CA-O 3.25Å; G503-G513 WeakPolarHBondContact CA-O 3.35Å; G503-G513 PolarHBondContact N-O 2.88Å; G503-G513 PolarHBondContact O-N 2.8Å
504Y94.4Very high93.1Very high81 Ų8152.7 Ų52.732%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-115160.4175.8-62.4-95.9000110.8Y489 I501 V511 G513 G515Y489-Y504 HydrophobicContact CD1-CD1 4.08Å; Y489-Y504 HydrophobicContact CD1-CD2 4.15Å; Y489-Y504 AromaticContact CD1-CE1 3.59Å; Y489-Y504 HydrophobicContact CD1-CE1 3.59Å; Y489-Y504 AromaticContact CD1-CE2 3.67Å; Y489-Y504 HydrophobicContact CD1-CE2 3.67Å; Y489-Y504 HydrophobicContact CD1-CG 4.34Å; Y489-Y504 AromaticContact CD1-CZ 3.36Å; Y489-Y504 AromaticContact CD2-CD1 3.92Å; Y489-Y504 HydrophobicContact CD2-CD1 3.92Å; Y489-Y504 AromaticContact CD2-CE1 3.74Å; Y489-Y504 HydrophobicContact CD2-CE1 3.74Å; Y489-Y504 AromaticContact CE1-CE1 3.77Å; Y489-Y504 HydrophobicContact CE1-CE1 3.77Å; Y489-Y504 HydrophobicContact CE1-CE2 4.14Å; Y489-Y504 AromaticContact CE1-CZ 3.46Å; Y489-Y504 VanDerWaalsContact CE1-CZ 3.46Å; Y489-Y504 VanDerWaalsContact CE1-OH 3.24Å; Y489-Y504 WeakPolarHBondContact CE1-OH 3.32Å; Y489-Y504 AromaticContact CE2-CE1 3.92Å; Y489-Y504 HydrophobicContact CE2-CE1 3.92Å; Y489-Y504 AromaticContact CG-CD1 3.67Å; Y489-Y504 HydrophobicContact CG-CD1 3.67Å; Y489-Y504 HydrophobicContact CG-CD2 4.3Å; Y489-Y504 AromaticContact CG-CE1 3.57Å; Y489-Y504 HydrophobicContact CG-CE1 3.57Å; Y489-Y504 HydrophobicContact CG-CE2 4.21Å; Y489-Y504 HydrophobicContact CG-CG 4.04Å; Y489-Y504 AromaticContact CG-CZ 3.85Å; Y489-Y504 AromaticContact CZ-CE1 3.93Å; I501-Y504 HydrophobicContact CD1-CD2 3.84Å; I501-Y504 HydrophobicContact CD1-CE2 3.91Å; I501-Y504 HydrophobicContact CG1-CD2 3.5Å; I501-Y504 HydrophobicContact CG1-CE2 4.08Å; I501-Y504 HydrophobicContact CG1-CG 4.37Å; I501-Y504 PolarHBondContact O-N 3.07Å; Y504-V511 CarbonylContact C-O 3.16Å; Y504-V511 WeakPolarHBondContact CA-O 2.97Å; Y504-G513 PolarHBondContact N-O 3.28Å; Y504-G513 CarbonylContact O-C 3.51Å; Y504-G515 VanDerWaalsContact O-CA 3.25Å; Y504-G515 WeakPolarHBondContact O-CA 3.39Å; Y504-G515 PolarHBondContact O-N 3.19Å
505G92Very high93.2Very high8 Ų850.8 Ų50.88%0.08231%0.313CS..EExtended strand (participates in β ladder)trans-173-166.1-179.300000112.1C509 S510 V511G505-C509 CarbonylContact O-C 3.45Å; G505-C509 VanDerWaalsContact O-C 3.29Å; G505-C509 WeakPolarHBondContact O-CA 3.28Å; G505-S510 PolarHBondContact O-N 2.79Å; G505-V511 PolarHBondContact N-O 3.41Å; G505-V511 WeakPolarHBondContact O-CG2 3.44Å; G505-V511 PolarHBondContact O-N 3.46Å
506G90.3Very high93.4Very high48 Ų4847 Ų4750%0.49529%0.294SS..SBendtrans83.5175-163.700000111.4D508G506-D508 PolarHBondContact O-N 3.46Å
507I90.9Very high93.5Very high139 Ų13946.8 Ų46.871%0.71329%0.29SS*.THydrogen-bonded Turntrans-65.1-27.6-174.8-61.8170.2000111.6C498C498-I507 WeakPolarHBondContact CB-O 3.46Å
508D92.7Very high93.5Very high23 Ų2348.7 Ų48.712%0.12331%0.306CS..THydrogen-bonded Turntrans-122.815.1-174.957.74.1000113.5K483 C486 Y487 G506 S510K483-D508 IonicContact NZ-OD2 3.26Å; C486-D508 CarbonylContact C-O 3.57Å; C486-D508 WeakPolarHBondContact CA-O 3.02Å; Y487-D508 HydrophobicContact CD2-CB 4.13Å; Y487-D508 WeakPolarHBondContact CD2-O 3.33Å; Y487-D508 HydrophobicContact CE2-CB 4.21Å; Y487-D508 WeakPolarHBondContact CE2-OD2 3.4Å; G506-D508 PolarHBondContact O-N 3.46Å; D508-S510 PolarHBondContact O-N 2.93Å; D508-S510 WeakPolarHBondContact OD1-CB 3.27Å; D508-S510 PolarHBondContact OD1-N 2.87Å; D508-S510 PolarHBondContact OD1-OG 3.36Å
509C95.3Very high93.4Very high0 Ų050.3 Ų50.30%031%0.314CS..SBendtrans60.719.1-177-46.30000115.4C498 C500 G505C498-C509 VanDerWaalsContact CB-SG 3.52Å; C500-C509 WeakPolarHBondContact CA-SG 3.38Å; C500-C509 HydrophobicContact CB-CB 3.85Å; C500-C509 WeakPolarHBondContact CB-SG 3.33Å; C500-C509 WeakPolarHBondContact SG-CA 3.22Å; C500-C509 WeakPolarHBondContact SG-CB 3.24Å; C500-C509 CovalentContact SG-SG 2.03Å; C500-C509 PolarHBondContact SG-SG 2.87Å; G505-C509 CarbonylContact O-C 3.45Å; G505-C509 VanDerWaalsContact O-C 3.29Å; G505-C509 WeakPolarHBondContact O-CA 3.28Å
510S94Very high93.3Very high59 Ų5949.5 Ų49.541%0.41331%0.311SS..  trans-81.1-12.4-176.463.40000115.1G505 D508G505-S510 PolarHBondContact O-N 2.79Å; D508-S510 PolarHBondContact O-N 2.93Å; D508-S510 WeakPolarHBondContact OD1-CB 3.27Å; D508-S510 PolarHBondContact OD1-N 2.87Å; D508-S510 PolarHBondContact OD1-OG 3.36Å
511V92.7Very high93.2Very high70 Ų7050 Ų5042%0.42432%0.316SS..EExtended strand (participates in β ladder)trans-120.5157.8-176.5-61.80000111.6Y504 G505 G513Y504-V511 CarbonylContact C-O 3.16Å; Y504-V511 WeakPolarHBondContact CA-O 2.97Å; G505-V511 PolarHBondContact N-O 3.41Å; G505-V511 WeakPolarHBondContact O-CG2 3.44Å; G505-V511 PolarHBondContact O-N 3.46Å; V511-G513 PolarHBondContact O-N 3.45Å
512P92.3Very high93.1Very high124 Ų12447.1 Ų47.181%0.80530%0.303SS*.EExtended strand (participates in β ladder)trans-59136.3170.8-23.734.5000111.5G503G503-P512 WeakPolarHBondContact O-CA 3.4Å
513G91.6Very high93.1Very high29 Ų2943.6 Ų43.630%0.29928%0.283SS..EExtended strand (participates in β ladder)trans-166.3-177-174.700000114.4G503 Y504 V511 G515G503-G513 CarbonylContact C-O 3.57Å; G503-G513 VanDerWaalsContact CA-O 3.25Å; G503-G513 WeakPolarHBondContact CA-O 3.35Å; G503-G513 PolarHBondContact N-O 2.88Å; G503-G513 PolarHBondContact O-N 2.8Å; Y504-G513 PolarHBondContact N-O 3.28Å; Y504-G513 CarbonylContact O-C 3.51Å; V511-G513 PolarHBondContact O-N 3.45Å; G513-G515 VanDerWaalsContact C-N 3.28Å; G513-G515 PolarHBondContact O-N 2.81Å
514L91.8Very high93.1Very high61 Ų6143.4 Ų43.432%0.31928%0.276SS..  trans-82-3.1-174.5-56.4178.6000113.6P522 A523 S524 S526L514-P522 HydrophobicContact CB-CB 4.11Å; L514-P522 HydrophobicContact CD1-CB 4.09Å; L514-A523 CarbonylContact O-C 3.34Å; L514-A523 PolarHBondContact O-N 3.38Å; L514-S524 WeakPolarHBondContact O-CB 3.44Å; L514-S524 PolarHBondContact O-N 2.96Å; L514-S526 WeakPolarHBondContact CD1-OG 3.37Å
515G94.5Very high92.7Very high9 Ų942.4 Ų42.49%0.09328%0.284CS..  trans70.9-176.5-167.700000113.1C500 Y504 G513 A523C500-G515 CarbonylContact O-C 3.55Å; C500-G515 WeakPolarHBondContact O-CA 3.33Å; Y504-G515 VanDerWaalsContact O-CA 3.25Å; Y504-G515 WeakPolarHBondContact O-CA 3.39Å; Y504-G515 PolarHBondContact O-N 3.19Å; G513-G515 VanDerWaalsContact C-N 3.28Å; G513-G515 PolarHBondContact O-N 2.81Å; G515-A523 PolarHBondContact O-N 3.28Å
516G94.7Very high91.9Very high4 Ų446 Ų464%0.04131%0.308CS..EExtended strand (participates in β ladder)trans79.2-159-175.500000112.2C500 G521C500-G516 PolarHBondContact N-O 3.48Å; C500-G516 PolarHBondContact O-N 3.47Å; G516-G521 WeakPolarHBondContact CA-O 3.47Å
517S94.6Very high90.5Very high15 Ų1547.1 Ų47.111%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-137.7171.2179.785.10000110.9C498 D519 S520 G521C498-S517 WeakPolarHBondContact O-CB 3.4Å; S517-D519 PolarHBondContact O-N 2.9Å; S517-D519 PolarHBondContact OG-N 3.29Å; S517-S520 WeakPolarHBondContact OG-CB 3.12Å; S517-S520 PolarHBondContact OG-N 2.92Å; S517-S520 PolarHBondContact OG-OG 3.49Å; S517-G521 PolarHBondContact N-O 2.77Å; S517-G521 PolarHBondContact O-N 3.3Å
518V93Very high88.9Confident112 Ų11243.5 Ų43.568%0.67932%0.317SS*.THydrogen-bonded Turntrans-63-20.1170.7-62.40000112.6H497H497-V518 HydrophobicContact CB-CG2 4.11Å; H497-V518 WeakPolarHBondContact ND1-CG2 3.47Å
519D94.1Very high87.1Confident40 Ų4047.6 Ų47.621%0.21434%0.343CS..THydrogen-bonded Turntrans-99.9-29.8-176.9-52.1-58000112.7P323 T326 N493 L495 H497 S517P323-D519 WeakPolarHBondContact CB-O 3.21Å; T326-D519 HydrophobicContact CG2-CB 3.73Å; N493-D519 PolarHBondContact ND2-OD2 2.93Å; L495-D519 HydrophobicContact CD1-CB 4.16Å; H497-D519 IonicContact CE1-OD1 3.97Å; H497-D519 IonicContact CE1-OD2 2.78Å; H497-D519 IonicContact CG-OD2 3.97Å; H497-D519 IonicContact ND1-OD1 3.55Å; H497-D519 PolarHBondContact ND1-OD1 3.33Å; H497-D519 IonicContact ND1-OD2 3.51Å; H497-D519 PolarHBondContact ND1-OD2 3.36Å; S517-D519 PolarHBondContact O-N 2.9Å; S517-D519 PolarHBondContact OG-N 3.29Å
520S93.2Very high85.3Confident0 Ų054.2 Ų54.20%037%0.373CS..THydrogen-bonded Turntrans-103.9-2.3-172.4-33.70000113.2P312 E313 Y314 T326 H499 S517P312-S520 WeakPolarHBondContact O-CB 3.48Å; E313-S520 WeakPolarHBondContact CA-O 3.1Å; Y314-S520 WeakPolarHBondContact CD2-O 3.4Å; Y314-S520 PolarHBondContact N-O 3.4Å; T326-S520 PolarHBondContact OG1-OG 3.27Å; H499-S520 PolarHBondContact ND1-OG 3.39Å; S517-S520 WeakPolarHBondContact OG-CB 3.12Å; S517-S520 PolarHBondContact OG-N 2.92Å; S517-S520 PolarHBondContact OG-OG 3.49Å
521G93.4Very high83.8Confident12 Ų1256 Ų5612%0.12438%0.384CS..EExtended strand (participates in β ladder)trans79.9171.5-175.300000113.8G516 S517G516-G521 WeakPolarHBondContact CA-O 3.47Å; S517-G521 PolarHBondContact N-O 2.77Å; S517-G521 PolarHBondContact O-N 3.3Å
522P94.4Very high82.7Confident29 Ų2954.5 Ų54.519%0.18838%0.382CS..EExtended strand (participates in β ladder)trans-75.1131.7-178.930.4-32.9000111.4A299 Y314 L514 S524A299-P522 WeakPolarHBondContact CA-O 3.4Å; A299-P522 VanDerWaalsContact CB-O 3.24Å; A299-P522 WeakPolarHBondContact CB-O 3.05Å; Y314-P522 WeakPolarHBondContact CB-O 3.23Å; L514-P522 HydrophobicContact CB-CB 4.11Å; L514-P522 HydrophobicContact CD1-CB 4.09Å; P522-S524 VanDerWaalsContact C-N 3.28Å; P522-S524 PolarHBondContact O-N 2.97Å
523A93.9Very high82.1Confident14 Ų1452.2 Ų52.212%0.11637%0.365CS..SBendtrans-81-4-179.100000114.2Y314 V502 L514 G515Y314-A523 HydrophobicContact CD2-CB 4.16Å; Y314-A523 HydrophobicContact CE1-CB 4.1Å; Y314-A523 HydrophobicContact CE2-CB 3.62Å; V502-A523 HydrophobicContact CG2-CB 3.81Å; L514-A523 CarbonylContact O-C 3.34Å; L514-A523 PolarHBondContact O-N 3.38Å; G515-A523 PolarHBondContact O-N 3.28Å
524S92.1Very high81.3Confident35 Ų3552.7 Ų52.725%0.24537%0.37CS..SBendtrans-146145.9176.5-730000111.2V502 L514 P522 S526V502-S524 WeakPolarHBondContact CG1-OG 3.41Å; L514-S524 WeakPolarHBondContact O-CB 3.44Å; L514-S524 PolarHBondContact O-N 2.96Å; P522-S524 VanDerWaalsContact C-N 3.28Å; P522-S524 PolarHBondContact O-N 2.97Å; S524-S526 PolarHBondContact O-N 3.39Å
525A84.1Confident81Confident59 Ų5954.4 Ų54.449%0.48838%0.379SS..  trans-60.6140.9175.900000109.5T298 G527T298-A525 HydrophobicContact CG2-CB 4.16Å; A525-G527 PolarHBondContact O-N 3.49Å
526S76.1Confident80.5Confident83 Ų8355.8 Ų55.858%0.5839%0.39SS*.  trans-57108.2166.3-70.10000107L514 S524 G528L514-S526 WeakPolarHBondContact CD1-OG 3.37Å; S524-S526 PolarHBondContact O-N 3.39Å; S526-G528 VanDerWaalsContact C-N 3.25Å; S526-G528 PolarHBondContact O-N 2.9Å
527G61.8Low80.3Confident72 Ų7258.5 Ų58.574%0.74241%0.406SS*.  trans-57.596.2173.800000107.5A525 V529A525-G527 PolarHBondContact O-N 3.49Å; G527-V529 PolarHBondContact O-N 3.33Å
528G55.6Low80Confident64 Ų6462.9 Ų62.966%0.6642%0.423SS*.  trans-52.1130.4172.300000106.4S526 H530S526-G528 VanDerWaalsContact C-N 3.25Å; S526-G528 PolarHBondContact O-N 2.9Å; G528-H530 PolarHBondContact O-N 3.12Å
529V56.3Low79.9Confident109 Ų10963 Ų6366%0.66142%0.415SS*.  trans-47107.2177.2176.80000106.7G527 V533G527-V529 PolarHBondContact O-N 3.33Å; V529-V533 HydrophobicContact CG1-CB 3.59Å; V529-V533 HydrophobicContact CG1-CG1 3.7Å; V529-V533 HydrophobicContact CG1-CG2 4.46Å
530H56.2Low79.8Confident139 Ų13969.1 Ų69.164%0.64444%0.44SS*.  trans-50.9131.5-174.5-160.4-79.2000106G528 G532 V533G528-H530 PolarHBondContact O-N 3.12Å; H530-G532 CarbonylContact O-C 3.4Å; H530-G532 PolarHBondContact O-N 2.83Å; H530-V533 HydrophobicContact CB-CG2 4.43Å; H530-V533 WeakPolarHBondContact O-CB 3.33Å; H530-V533 PolarHBondContact O-N 2.85Å
531P62.6Low79.7Confident97 Ų9773.4 Ų73.463%0.6346%0.461SS*.Hα-helixtrans-53.2-24.3-172.512.7-26.7000112.9V533 G534 L535P531-V533 PolarHBondContact O-N 2.03Å; P531-G534 PolarHBondContact O-N 3.43Å; P531-L535 WeakPolarHBondContact O-CB 3.05Å; P531-L535 WeakPolarHBondContact O-CG 3.16Å; P531-L535 PolarHBondContact O-N 3.49Å
532G71.2Confident79.7Confident37 Ų3778.8 Ų78.838%0.38148%0.482SS..Hα-helixtrans-59.1-35169.400000115.6H530 A536H530-G532 CarbonylContact O-C 3.4Å; H530-G532 PolarHBondContact O-N 2.83Å; G532-A536 VanDerWaalsContact O-CB 3.24Å; G532-A536 WeakPolarHBondContact O-CB 3.43Å; G532-A536 PolarHBondContact O-N 3.1Å
533V77.9Confident79.7Confident77 Ų7780.8 Ų80.847%0.46749%0.49SS..Hα-helixtrans-70.3-42.5173.9178.60000110.3V529 H530 P531 L535 A536 V537V529-V533 HydrophobicContact CG1-CB 3.59Å; V529-V533 HydrophobicContact CG1-CG1 3.7Å; V529-V533 HydrophobicContact CG1-CG2 4.46Å; H530-V533 HydrophobicContact CB-CG2 4.43Å; H530-V533 WeakPolarHBondContact O-CB 3.33Å; H530-V533 PolarHBondContact O-N 2.85Å; P531-V533 PolarHBondContact O-N 2.03Å; V533-L535 VanDerWaalsContact C-N 3.34Å; V533-L535 PolarHBondContact O-N 2.81Å; V533-A536 PolarHBondContact O-N 2.03Å; V533-V537 WeakPolarHBondContact O-CG2 3.48Å; V533-V537 PolarHBondContact O-N 3.19Å
534G76.4Confident79.7Confident39 Ų3982.9 Ų82.940%0.40250%0.503SS..Hα-helixtrans-60.5-44.3173.600000111.9P531 V537 F538P531-G534 PolarHBondContact O-N 3.43Å; G534-V537 PolarHBondContact O-N 3.49Å; G534-F538 WeakPolarHBondContact O-CB 3.02Å; G534-F538 PolarHBondContact O-N 3.41Å
535L84.3Confident79.8Confident96 Ų9685.4 Ų85.450%0.50351%0.513SS..Hα-helixtrans-62.4-44.3172.8-73.8163.9000111.5P531 V533 V537 F538 F539P531-L535 WeakPolarHBondContact O-CB 3.05Å; P531-L535 WeakPolarHBondContact O-CG 3.16Å; P531-L535 PolarHBondContact O-N 3.49Å; V533-L535 VanDerWaalsContact C-N 3.34Å; V533-L535 PolarHBondContact O-N 2.81Å; L535-V537 PolarHBondContact O-N 2.94Å; L535-F538 PolarHBondContact O-N 2.87Å; L535-F539 HydrophobicContact CB-CD2 4.35Å; L535-F539 HydrophobicContact CD2-CD2 4.32Å; L535-F539 HydrophobicContact CD2-CE2 3.82Å; L535-F539 WeakPolarHBondContact O-CB 3.36Å; L535-F539 VanDerWaalsContact O-CD2 3.23Å; L535-F539 WeakPolarHBondContact O-CD2 3.25Å; L535-F539 PolarHBondContact O-N 3.47Å
536A84.9Confident80.3Confident38 Ų3886.9 Ų86.931%0.31451%0.512SS..Hα-helixtrans-61.8-45.2178.700000111.6G532 V533 F538 F539 F540G532-A536 VanDerWaalsContact O-CB 3.24Å; G532-A536 WeakPolarHBondContact O-CB 3.43Å; G532-A536 PolarHBondContact O-N 3.1Å; V533-A536 PolarHBondContact O-N 2.03Å; A536-F538 VanDerWaalsContact C-N 3.32Å; A536-F538 PolarHBondContact O-N 3.36Å; A536-F539 PolarHBondContact O-N 2.89Å; A536-F540 HydrophobicContact CB-CD2 4.1Å; A536-F540 VanDerWaalsContact O-CB 3.26Å; A536-F540 WeakPolarHBondContact O-CB 3.37Å; A536-F540 VanDerWaalsContact O-CD2 3.29Å; A536-F540 WeakPolarHBondContact O-CD2 3.15Å; A536-F540 PolarHBondContact O-N 3.32Å
537V89.3Confident81.1Confident62 Ų6284.9 Ų84.938%0.37650%0.504SS..Hα-helixtrans-61-42.8174.6170.50000110.7V533 G534 L535 I541 F542V533-V537 WeakPolarHBondContact O-CG2 3.48Å; V533-V537 PolarHBondContact O-N 3.19Å; G534-V537 PolarHBondContact O-N 3.49Å; L535-V537 PolarHBondContact O-N 2.94Å; V537-I541 HydrophobicContact CG1-CD1 4.27Å; V537-I541 WeakPolarHBondContact O-CA 3.19Å; V537-I541 WeakPolarHBondContact O-CB 3.21Å; V537-I541 PolarHBondContact O-N 2.89Å; V537-F542 HydrophobicContact CG1-CD2 4.1Å; V537-F542 HydrophobicContact CG1-CE2 3.94Å; V537-F542 PolarHBondContact O-N 3.36Å
538F89.1Confident82.5Confident107 Ų10786 Ų8647%0.46949%0.492SS..Iπ-helixtrans-64.1-46.8177.8-172.2-99.2000112.7G534 L535 A536 F542 L543G534-F538 WeakPolarHBondContact O-CB 3.02Å; G534-F538 PolarHBondContact O-N 3.41Å; L535-F538 PolarHBondContact O-N 2.87Å; A536-F538 VanDerWaalsContact C-N 3.32Å; A536-F538 PolarHBondContact O-N 3.36Å; F538-F542 HydrophobicContact CD2-CB 4.23Å; F538-F542 WeakPolarHBondContact O-CB 3.37Å; F538-F542 PolarHBondContact O-N 3.38Å; F538-L543 HydrophobicContact CD1-CD1 4.23Å; F538-L543 HydrophobicContact CD1-CG 4.41Å; F538-L543 HydrophobicContact CE1-CD1 4.02Å; F538-L543 HydrophobicContact CE1-CG 4.08Å; F538-L543 PolarHBondContact O-N 3.45Å
539F91.8Very high84.3Confident115 Ų11586.9 Ų86.950%0.50448%0.481SS..Iπ-helixtrans-77.4-37.2-176.8-80.4-76.1000114L535 A536 L543 P544L535-F539 HydrophobicContact CB-CD2 4.35Å; L535-F539 HydrophobicContact CD2-CD2 4.32Å; L535-F539 HydrophobicContact CD2-CE2 3.82Å; L535-F539 WeakPolarHBondContact O-CB 3.36Å; L535-F539 VanDerWaalsContact O-CD2 3.23Å; L535-F539 WeakPolarHBondContact O-CD2 3.25Å; L535-F539 PolarHBondContact O-N 3.47Å; A536-F539 PolarHBondContact O-N 2.89Å; F539-L543 HydrophobicContact CD1-CD1 3.27Å; F539-L543 HydrophobicContact CE1-CD1 3.55Å; F539-L543 HydrophobicContact CG-CD1 4.1Å; F539-P544 WeakPolarHBondContact O-CD 3.32Å
540F90.9Very high85.8Confident168 Ų16885.6 Ų85.674%0.73747%0.47SS*.Iπ-helixtrans-96.5-16.1-175.8-67.3-73000114.2A536 P544A536-F540 HydrophobicContact CB-CD2 4.1Å; A536-F540 VanDerWaalsContact O-CB 3.26Å; A536-F540 WeakPolarHBondContact O-CB 3.37Å; A536-F540 VanDerWaalsContact O-CD2 3.29Å; A536-F540 WeakPolarHBondContact O-CD2 3.15Å; A536-F540 PolarHBondContact O-N 3.32Å; F540-P544 VanDerWaalsContact C-CG 3.45Å; F540-P544 WeakPolarHBondContact O-CG 3.5Å
541I92Very high87.4Confident89 Ų8981.6 Ų81.646%0.45646%0.461SS..Iπ-helixtrans-114.1-61.4178-53-176.1000110.3V537 P544 L545V537-I541 HydrophobicContact CG1-CD1 4.27Å; V537-I541 WeakPolarHBondContact O-CA 3.19Å; V537-I541 WeakPolarHBondContact O-CB 3.21Å; V537-I541 PolarHBondContact O-N 2.89Å; I541-P544 WeakPolarHBondContact O-CD 3.31Å; I541-P544 WeakPolarHBondContact O-CG 3.41Å; I541-L545 HydrophobicContact CG2-CD1 3.86Å; I541-L545 VanDerWaalsContact O-CB 3.31Å; I541-L545 WeakPolarHBondContact O-CB 3.41Å; I541-L545 PolarHBondContact O-N 3.47Å
542F93.4Very high88.6Confident126 Ų12681.2 Ų81.255%0.55345%0.453SS*.Iπ-helixtrans-70-46.3-171.2-77.9-81.2000113.9V537 F538 L545 L546V537-F542 HydrophobicContact CG1-CD2 4.1Å; V537-F542 HydrophobicContact CG1-CE2 3.94Å; V537-F542 PolarHBondContact O-N 3.36Å; F538-F542 HydrophobicContact CD2-CB 4.23Å; F538-F542 WeakPolarHBondContact O-CB 3.37Å; F538-F542 PolarHBondContact O-N 3.38Å; F542-L545 PolarHBondContact O-N 3.36Å; F542-L546 VanDerWaalsContact O-CB 3.27Å; F542-L546 WeakPolarHBondContact O-CB 3.25Å; F542-L546 PolarHBondContact O-N 3.18Å
543L94Very high89.3Confident70 Ų7083.6 Ų83.637%0.36646%0.456SS..Hα-helixtrans-61.4-45.8178.2-82.8173.4000113.7F538 F539 L546 G547F538-L543 HydrophobicContact CD1-CD1 4.23Å; F538-L543 HydrophobicContact CD1-CG 4.41Å; F538-L543 HydrophobicContact CE1-CD1 4.02Å; F538-L543 HydrophobicContact CE1-CG 4.08Å; F538-L543 PolarHBondContact O-N 3.45Å; F539-L543 HydrophobicContact CD1-CD1 3.27Å; F539-L543 HydrophobicContact CE1-CD1 3.55Å; F539-L543 HydrophobicContact CG-CD1 4.1Å; L543-L546 PolarHBondContact O-N 3.28Å; L543-G547 PolarHBondContact O-N 2.03Å
544P94Very high89.4Confident58 Ų5887.7 Ų87.738%0.37747%0.465SS..Hα-helixtrans-67.6-37174.117.8-26.1000112.7F539 F540 I541 G547 I548F539-P544 WeakPolarHBondContact O-CD 3.32Å; F540-P544 VanDerWaalsContact C-CG 3.45Å; F540-P544 WeakPolarHBondContact O-CG 3.5Å; I541-P544 WeakPolarHBondContact O-CD 3.31Å; I541-P544 WeakPolarHBondContact O-CG 3.41Å; P544-G547 PolarHBondContact O-N 2.03Å; P544-I548 WeakPolarHBondContact O-CB 3.45Å; P544-I548 VanDerWaalsContact O-CG1 3.23Å; P544-I548 WeakPolarHBondContact O-CG1 3.43Å; P544-I548 PolarHBondContact O-N 2.84Å
545L94.3Very high89.6Confident88 Ų8896.4 Ų96.446%0.46149%0.486SS..Hα-helixtrans-61.5-43.6172.1-104148.9000112I541 F542 G547 I548 I549I541-L545 HydrophobicContact CG2-CD1 3.86Å; I541-L545 VanDerWaalsContact O-CB 3.31Å; I541-L545 WeakPolarHBondContact O-CB 3.41Å; I541-L545 PolarHBondContact O-N 3.47Å; F542-L545 PolarHBondContact O-N 3.36Å; L545-G547 VanDerWaalsContact C-N 3.32Å; L545-G547 PolarHBondContact O-N 3.37Å; L545-I548 PolarHBondContact O-N 2.71Å; L545-I549 WeakPolarHBondContact O-CB 3.24Å; L545-I549 VanDerWaalsContact O-CG1 3.25Å; L545-I549 WeakPolarHBondContact O-CG1 3.35Å; L545-I549 PolarHBondContact O-N 3.34Å
546L93.8Very high88.9Confident91 Ų9199.4 Ų99.448%0.47649%0.494SS..Hα-helixtrans-62.2-42.9175.1-175.466.9000110.6F542 L543 I548 I549 I550F542-L546 VanDerWaalsContact O-CB 3.27Å; F542-L546 WeakPolarHBondContact O-CB 3.25Å; F542-L546 PolarHBondContact O-N 3.18Å; L543-L546 PolarHBondContact O-N 3.28Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.25Å; L546-I549 PolarHBondContact O-N 3.4Å; L546-I550 HydrophobicContact CD1-CD1 4.42Å; L546-I550 HydrophobicContact CG-CD1 4.01Å; L546-I550 WeakPolarHBondContact O-CB 3.5Å; L546-I550 VanDerWaalsContact O-CG1 3.25Å; L546-I550 WeakPolarHBondContact O-CG1 3.24Å; L546-I550 PolarHBondContact O-N 3.39Å
547G93.3Very high87.8Confident40 Ų4099.2 Ų99.241%0.41250%0.496SS..Hα-helixtrans-58.6-43.5173.100000112.6L543 P544 L545 I550 A551L543-G547 PolarHBondContact O-N 2.03Å; P544-G547 PolarHBondContact O-N 2.03Å; L545-G547 VanDerWaalsContact C-N 3.32Å; L545-G547 PolarHBondContact O-N 3.37Å; G547-I550 PolarHBondContact O-N 3.14Å; G547-A551 VanDerWaalsContact O-CB 3.29Å; G547-A551 WeakPolarHBondContact O-CB 3.36Å; G547-A551 PolarHBondContact O-N 3.36Å
548I92.5Very high86.5Confident95 Ų95103 Ų10349%0.48751%0.505SS..Hα-helixtrans-65.5-44.4175.7-68.9163.4000110.7P544 L545 L546 I550 A551 L552P544-I548 WeakPolarHBondContact O-CB 3.45Å; P544-I548 VanDerWaalsContact O-CG1 3.23Å; P544-I548 WeakPolarHBondContact O-CG1 3.43Å; P544-I548 PolarHBondContact O-N 2.84Å; L545-I548 PolarHBondContact O-N 2.71Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.25Å; I548-I550 PolarHBondContact O-N 3.13Å; I548-A551 PolarHBondContact O-N 3.21Å; I548-L552 HydrophobicContact CG2-CD1 3.86Å; I548-L552 HydrophobicContact CG2-CG 4.2Å; I548-L552 WeakPolarHBondContact O-CB 3.41Å; I548-L552 VanDerWaalsContact O-CG 3.22Å; I548-L552 WeakPolarHBondContact O-CG 3.23Å; I548-L552 PolarHBondContact O-N 3.3Å
549I91.4Very high85Confident83 Ų83100.7 Ų100.743%0.42650%0.499SS..Hα-helixtrans-61.2-46.8177.7-70.3164.5000110.2L545 L546 A551 L552 L553L545-I549 WeakPolarHBondContact O-CB 3.24Å; L545-I549 VanDerWaalsContact O-CG1 3.25Å; L545-I549 WeakPolarHBondContact O-CG1 3.35Å; L545-I549 PolarHBondContact O-N 3.34Å; L546-I549 PolarHBondContact O-N 3.4Å; I549-A551 PolarHBondContact O-N 3.41Å; I549-L552 PolarHBondContact O-N 3.19Å; I549-L553 HydrophobicContact CG2-CD1 4.02Å; I549-L553 HydrophobicContact CG2-CG 4.4Å; I549-L553 WeakPolarHBondContact O-CB 3.43Å; I549-L553 VanDerWaalsContact O-CG 3.28Å; I549-L553 WeakPolarHBondContact O-CG 3.21Å; I549-L553 PolarHBondContact O-N 3.41Å
550I89.6Confident83.3Confident82 Ų82103.5 Ų103.542%0.42151%0.511SS..Hα-helixtrans-59.5-48.2175.5-68.8167.9000109.7L546 G547 I548 L552 L553 Y554L546-I550 HydrophobicContact CD1-CD1 4.42Å; L546-I550 HydrophobicContact CG-CD1 4.01Å; L546-I550 WeakPolarHBondContact O-CB 3.5Å; L546-I550 VanDerWaalsContact O-CG1 3.25Å; L546-I550 WeakPolarHBondContact O-CG1 3.24Å; L546-I550 PolarHBondContact O-N 3.39Å; G547-I550 PolarHBondContact O-N 3.14Å; I548-I550 PolarHBondContact O-N 3.13Å; I550-L552 VanDerWaalsContact C-N 3.31Å; I550-L552 PolarHBondContact O-N 3.04Å; I550-L553 PolarHBondContact O-N 3.41Å; I550-Y554 HydrophobicContact CG2-CD2 3.72Å; I550-Y554 HydrophobicContact CG2-CE2 3.76Å; I550-Y554 VanDerWaalsContact O-CD2 3.31Å; I550-Y554 WeakPolarHBondContact O-CD2 3.48Å; I550-Y554 PolarHBondContact O-N 2.68Å
551A88Confident81.6Confident56 Ų56101.6 Ų101.646%0.46351%0.508SS..Hα-helixtrans-59.8-39177.400000112.6G547 I548 I549 Y554 R555G547-A551 VanDerWaalsContact O-CB 3.29Å; G547-A551 WeakPolarHBondContact O-CB 3.36Å; G547-A551 PolarHBondContact O-N 3.36Å; I548-A551 PolarHBondContact O-N 3.21Å; I549-A551 PolarHBondContact O-N 3.41Å; A551-Y554 PolarHBondContact O-N 3.2Å; A551-R555 WeakPolarHBondContact O-CB 3.48Å; A551-R555 PolarHBondContact O-N 3.27Å
552L89.6Confident79.6Confident89 Ų89105.4 Ų105.447%0.46652%0.522SS..Hα-helixtrans-68.4-39.2175.6-72.4173.8000112.1I548 I549 I550 Y554 R555 K556I548-L552 HydrophobicContact CG2-CD1 3.86Å; I548-L552 HydrophobicContact CG2-CG 4.2Å; I548-L552 WeakPolarHBondContact O-CB 3.41Å; I548-L552 VanDerWaalsContact O-CG 3.22Å; I548-L552 WeakPolarHBondContact O-CG 3.23Å; I548-L552 PolarHBondContact O-N 3.3Å; I549-L552 PolarHBondContact O-N 3.19Å; I550-L552 VanDerWaalsContact C-N 3.31Å; I550-L552 PolarHBondContact O-N 3.04Å; L552-Y554 VanDerWaalsContact C-N 3.34Å; L552-R555 PolarHBondContact O-N 3.01Å; L552-K556 WeakPolarHBondContact O-CB 3.45Å; L552-K556 PolarHBondContact O-N 3.23Å
553L84.9Confident77.6Confident86 Ų86108.5 Ų108.545%0.4553%0.53SS..Hα-helixtrans-65-38174.1-70.9172.5000111.6I549 I550 G557 Y558I549-L553 HydrophobicContact CG2-CD1 4.02Å; I549-L553 HydrophobicContact CG2-CG 4.4Å; I549-L553 WeakPolarHBondContact O-CB 3.43Å; I549-L553 VanDerWaalsContact O-CG 3.28Å; I549-L553 WeakPolarHBondContact O-CG 3.21Å; I549-L553 PolarHBondContact O-N 3.41Å; I550-L553 PolarHBondContact O-N 3.41Å; L553-G557 PolarHBondContact O-N 2.84Å; L553-Y558 HydrophobicContact CD2-CD2 4.49Å; L553-Y558 PolarHBondContact O-N 2.9Å
554Y80.7Confident75.4Confident163 Ų163112.4 Ų112.464%0.63954%0.544SS*.Hα-helixtrans-65.2-45.9171.2-91.7-82.9000111.6I550 A551 L552 G557I550-Y554 HydrophobicContact CG2-CD2 3.72Å; I550-Y554 HydrophobicContact CG2-CE2 3.76Å; I550-Y554 VanDerWaalsContact O-CD2 3.31Å; I550-Y554 WeakPolarHBondContact O-CD2 3.48Å; I550-Y554 PolarHBondContact O-N 2.68Å; A551-Y554 PolarHBondContact O-N 3.2Å; L552-Y554 VanDerWaalsContact C-N 3.34Å; Y554-G557 PolarHBondContact O-N 2.69Å
555R79.3Confident73Confident223 Ų223118.1 Ų118.184%0.84256%0.563SS**Hα-helixtrans-68-38-178.3-172.2176.4177.3171-0113.1A551 L552 G557A551-R555 WeakPolarHBondContact O-CB 3.48Å; A551-R555 PolarHBondContact O-N 3.27Å; L552-R555 PolarHBondContact O-N 3.01Å; R555-G557 PolarHBondContact O-N 2.98Å
556K70.1Confident70.8Confident158 Ų158117.9 Ų117.969%0.68757%0.565SS**THydrogen-bonded Turntrans-76.82.4175.3-77-172.1176.6178.50113.6L552 Y558L552-K556 WeakPolarHBondContact O-CB 3.45Å; L552-K556 PolarHBondContact O-N 3.23Å; K556-Y558 HydrophobicContact CB-CD2 3.64Å; K556-Y558 HydrophobicContact CB-CE2 3.68Å; K556-Y558 HydrophobicContact CD-CE2 4.02Å; K556-Y558 HydrophobicContact CG-CE2 4.49Å; K556-Y558 PolarHBondContact O-N 3.19Å
557G61.7Low68.7Low34 Ų34119.2 Ų119.235%0.35157%0.573SS.*THydrogen-bonded Turntrans71.410.7170.100000115.5L553 Y554 R555 V559 K560L553-G557 PolarHBondContact O-N 2.84Å; Y554-G557 PolarHBondContact O-N 2.69Å; R555-G557 PolarHBondContact O-N 2.98Å; G557-V559 PolarHBondContact O-N 3.1Å; G557-V559 VanDerWaalsContact O-N 3.14Å; G557-K560 PolarHBondContact O-N 3.09Å
558Y61.7Low66.4Low142 Ų142128 Ų12856%0.55759%0.594SS**Hα-helixtrans-61.8-23.7-179.5-77.9-77.5000113.1L553 K556 L561 F562L553-Y558 HydrophobicContact CD2-CD2 4.49Å; L553-Y558 PolarHBondContact O-N 2.9Å; K556-Y558 HydrophobicContact CB-CD2 3.64Å; K556-Y558 HydrophobicContact CB-CE2 3.68Å; K556-Y558 HydrophobicContact CD-CE2 4.02Å; K556-Y558 HydrophobicContact CG-CE2 4.49Å; K556-Y558 PolarHBondContact O-N 3.19Å; Y558-L561 PolarHBondContact O-N 2.94Å; Y558-F562 PolarHBondContact O-N 2.03Å
559V58.3Low64.4Low59 Ų59129.4 Ų129.436%0.35861%0.606SS.*Hα-helixtrans-72.8-27175.5-173.60000112.2G557 L561 F562 R563G557-V559 PolarHBondContact O-N 3.1Å; G557-V559 VanDerWaalsContact O-N 3.14Å; V559-L561 VanDerWaalsContact C-N 3.27Å; V559-L561 PolarHBondContact O-N 2.87Å; V559-F562 PolarHBondContact O-N 2.73Å; V559-R563 PolarHBondContact O-N 2.86Å
560K56.1Low62.3Low173 Ų173132.6 Ų132.675%0.75262%0.624SS**Hα-helixtrans-66.2-31.6171.2-83.2-172.6178.6178.40111.4G557 F564G557-K560 PolarHBondContact O-N 3.09Å; K560-F564 PolarHBondContact O-N 2.9Å
561L55Low59.8Low128 Ų128137.8 Ų137.867%0.6764%0.643SS**Hα-helixtrans-73.2-34.6175.3-162.770000112.1Y558 V559 F564 K565Y558-L561 PolarHBondContact O-N 2.94Å; V559-L561 VanDerWaalsContact C-N 3.27Å; V559-L561 PolarHBondContact O-N 2.87Å; L561-F564 PolarHBondContact O-N 2.82Å; L561-K565 PolarHBondContact O-N 3.2Å
562F50.5Low57.8Low170 Ų170140.7 Ų140.775%0.74666%0.655SS**Hα-helixtrans-70.7-34.8174.4-135.2-90.6000112.3Y558 V559Y558-F562 PolarHBondContact O-N 2.03Å; V559-F562 PolarHBondContact O-N 2.73Å
563R50.7Low55.5Low191 Ų191146.6 Ų146.672%0.72168%0.677SS**Hα-helixtrans-68.6-32171.3-84.8-169.9169.7175-2113.5V559 K565 T566V559-R563 PolarHBondContact O-N 2.86Å; R563-K565 VanDerWaalsContact C-N 3.34Å; R563-K565 PolarHBondContact O-N 2.97Å; R563-T566 PolarHBondContact O-N 3.47Å; R563-T566 PolarHBondContact O-OG1 3.45Å
564F49.1Very low53.2Low152 Ų152150.2 Ų150.267%0.66770%0.697SS**Hα-helixtrans-75.1-20.9-178.7-128.3-90.6000113.9K560 L561K560-F564 PolarHBondContact O-N 2.9Å; L561-F564 PolarHBondContact O-N 2.82Å
565K43.5Very low51Low177 Ų177150 Ų15077%0.7771%0.706SS**Hα-helixtrans-82.5-17.8177.2-127.2178.7-177.2-179.30113.6L561 R563L561-K565 PolarHBondContact O-N 3.2Å; R563-K565 VanDerWaalsContact C-N 3.34Å; R563-K565 PolarHBondContact O-N 2.97Å
566T47.1Very low49Very low83 Ų83151.6 Ų151.651%0.50971%0.712SS.*Hα-helixtrans-82.9-22.9173.838.70000113.7R563R563-T566 PolarHBondContact O-N 3.47Å; R563-T566 PolarHBondContact O-OG1 3.45Å
567D50.5Low47.1Very low119 Ų119155.6 Ų155.664%0.63672%0.723SS**THydrogen-bonded Turntrans-78.3-21-177.1-97.6-3.6000114.7
568R44Very low45.8Very low225 Ų225159.7 Ų159.785%0.84975%0.746SS**THydrogen-bonded Turntrans-82.4-15.4177.6-87.9-159.4-172.4-168.44.3114.9
569V50.5Low45.1Very low125 Ų125158.4 Ų158.476%0.75876%0.755SS**SBendtrans-87.9-10.3179.4-176.70000111.8
570L47.4Very low43.8Very low150 Ų150160.6 Ų160.679%0.78577%0.773SS**SBendtrans-105.515.5-173.2-107.1126.9000116.1
571K36.9Very low42.9Very low191 Ų191162.5 Ų162.583%0.8378%0.781SS**SBendtrans-119.920.5176.7-81-166.8179-178.80116.2
572V46.6Very low42Very low116 Ų116161.2 Ų161.270%0.70378%0.783SS**SBendtrans-126.766.9170.7-172.40000109.1
573F40.8Very low41.1Very low214 Ų214157.8 Ų157.894%0.93978%0.78SS**  trans-165.484.3157.1-85.8-61000109.7
574D37.2Very low40.2Very low161 Ų161158.8 Ų158.886%0.86179%0.789SS**  trans-82.4111.5163.5-92.5-42.2000110.3
575L35.2Very low39.3Very low158 Ų158160.8 Ų160.883%0.82780%0.803SS**  trans31109141.7-65.7162.3000119.7
576R35.4Very low38.5Very low258 Ų258164 Ų16497%0.97481%0.81SS**  trans-130126.6140.1-143.9175-168.1-173.43.6110.7
577R30.9Very low37.6Very low242 Ų242169.6 Ų169.691%0.91383%0.828SS**  trans-97135.4-164.4-159.8179.4-163.2165.52.3109.7
578S35.3Very low36.7Very low119 Ų119171.1 Ų171.183%0.83284%0.841SS**  trans-161.6148.4151.7-146.70000111
579P45.4Very low36Very low115 Ų115165.7 Ų165.775%0.74784%0.838SS**  trans-102.6150.1-145.437.6-33.5000116.7
580S32.6Very low35Very low106 Ų106169.1 Ų169.174%0.74184%0.842SS**  trans43.8105134.5-168.10000119.6
581K36.3Very low34Very low213 Ų213172.8 Ų172.893%0.92685%0.846SS**  trans-128.7111.7138.2-76.6-171.6178.2177.60109.1
582S35.7Very low33.5Very low101 Ų101169.9 Ų169.971%0.70684%0.844SS**  trans-75167.6174.3105.30000110.3
583S32.9Very low32.9Very low98 Ų98169.3 Ų169.369%0.68585%0.845SS**  cis-176.3106.6-13.542.70000104.5
584K31.6Very low32.4Very low211 Ų211166.5 Ų166.592%0.91784%0.84SS**  trans-155.1109.9168.6-75.2-169.5-178.6169.80108.2
585M30.6Very low31.9Very low195 Ų195162.4 Ų162.496%0.96184%0.835SS**  trans163.9116130.2-1511207800108.4
586R26.7Very low31.6Very low243 Ų243164.1 Ų164.192%0.91784%0.836SS**  trans-134.5115.6174.5174.6-179.8151.7170.9-5.5107
587K27.1Very low31.2Very low202 Ų202160.8 Ų160.888%0.87883%0.834SS**  trans173.1118.4159.2-102.2167.8-174.6-177.20107.5
588V31.3Very low31.2Very low151 Ų151155.9 Ų155.992%0.91583%0.831SS**  -166.399.3120.9177.60000106
589S29.6Very low31Very low111 Ų111156.2 Ų156.278%0.77683%0.828SS**  trans-148.3119.2156.755.60000106
590K29.6Very low30.3Very low197 Ų197156.5 Ų156.586%0.85783%0.832SS**  trans-167.8136.2139.8-150.3159.2177174.20111.1
591W26.2Very low30.2Very low226 Ų226161.6 Ų161.686%0.85684%0.841SS**  trans-73.5153.8-178.2-73.561.5000112.7S593W591-S593 PolarHBondContact O-N 3.23Å
592V26.2Very low29.9Very low130 Ų130154.7 Ų154.779%0.78883%0.83SS**  trans-16.1119.9153179.40000112.3
593S34.7Very low29.9Very low105 Ų105156 Ų15673%0.73484%0.836SS**  trans-121.8122.1167.9-64.60000107.4W591W591-S593 PolarHBondContact O-N 3.23Å
594D30.2Very low30.3Very low155 Ų155157.6 Ų157.683%0.82984%0.844SS**  trans-52.9149.1-179.9-66.5-58.4000113.2
595G27.2Very low30.2Very low74 Ų74151.1 Ų151.176%0.76384%0.837SS**  trans-61.6148.1179.800000113.9
596K29.1Very low30.2Very low195 Ų195146.7 Ų146.785%0.84883%0.832SS**  trans-158.5111.9142.2-127.2173-179.4176.80109.1V598K596-V598 PolarHBondContact O-N 2.59Å
597M25.7Very low30.2Very low188 Ų188141.8 Ų141.893%0.92683%0.829SS**  trans-59.6121.6163.3-86.1174.4177.200108.6
598V31.4Very low30.3Very low139 Ų139144 Ų14484%0.84283%0.832SS**  trans-100.2105169177.60000107.1K596K596-V598 PolarHBondContact O-N 2.59Å
599T30.5Very low30Very low126 Ų126143.1 Ų143.177%0.77383%0.831SS**PPolyproline II helixtrans-66.1121.2174.146.60000110.7
600S32.2Very low30.1Very low120 Ų120145.9 Ų145.984%0.83984%0.836SS**PPolyproline II helixtrans-78.6128.3170.566.20000110.7
601K28.8Very low30.4Very low214 Ų214141.7 Ų141.793%0.9383%0.829SS**PPolyproline II helixtrans-65.4128.6179.1-67.2172.7173.71780112
602G31.6Very low30.8Very low67 Ų67136.6 Ų136.669%0.69183%0.825SS**  trans-130.7143.1155.900000109.1
603P34.8Very low31.2Very low129 Ų129136 Ų13684%0.83882%0.824SS**  trans-85.7167.4-166.117.9-2.6000114.3
604P40.7Very low31.1Very low131 Ų131135.4 Ų135.485%0.85183%0.826SS**  trans-101.2144.8-146.737.1-31.7000114.4
605G30Very low31.3Very low75 Ų75134.1 Ų134.177%0.77382%0.823SS**  trans-168107.8168.100000112.8
606A30.3Very low31.6Very low103 Ų103136.8 Ų136.885%0.85183%0.825SS**  trans64.997.3158.700000119.5
607T26.5Very low31.9Very low140 Ų140133.7 Ų133.786%0.85982%0.822SS**  trans-40.3130.1155.121.40000115.6
608R29.1Very low32.2Very low249 Ų249129 Ų12994%0.9481%0.813SS**  trans-162.3136.9138.2-107.4168.9-171.1-153.51.7111.5
609C25Very low32.3Very low132 Ų132126.9 Ų126.989%0.89281%0.81SS**  trans-69.4137.9-165.1-57.50000114.5
610L32.3Very low32.5Very low169 Ų169126.4 Ų126.489%0.88581%0.812SS**  trans-135.4149.3160.2-87.9164.4000110
611P35.9Very low32.3Very low109 Ų109126.2 Ų126.271%0.70881%0.81SS**  trans-87.2175.5-158.939.4-38.4000113.6
612P34.5Very low32.6Very low118 Ų118122 Ų12277%0.76681%0.805SS**  trans-80.2153.8-153.233.1-33.1000114
613P33.9Very low32.6Very low118 Ų118123.1 Ų123.177%0.76681%0.808SS**  trans-81125.5-17231-32000112.2T615P613-T615 PolarHBondContact O-N 3.22Å
614A34.3Very low32.4Very low93 Ų93122.6 Ų122.677%0.76981%0.807SS**  trans-69.4107164.600000109.4V616A614-V616 PolarHBondContact O-N 3.28Å; A614-V616 VanDerWaalsContact O-N 3.14Å
615T32.6Very low32Very low127 Ų127120.8 Ų120.878%0.77980%0.803SS**  trans-76.494.9169.542.30000109.4P613 V617P613-T615 PolarHBondContact O-N 3.22Å; T615-V617 PolarHBondContact O-N 2.87Å
616V35.4Very low31.9Very low131 Ų131123 Ų12379%0.79481%0.807SS**  trans-75107165.8-1780000107.6A614 A618A614-V616 PolarHBondContact O-N 3.28Å; A614-V616 VanDerWaalsContact O-N 3.14Å; V616-A618 PolarHBondContact O-N 3.35Å
617V34.8Very low32Very low129 Ų129125.9 Ų125.978%0.78281%0.807SS**  trans-87.299.8167.7-179.40000107.1T615 A619T615-V617 PolarHBondContact O-N 2.87Å; V617-A619 PolarHBondContact O-N 2.72Å; V617-A619 VanDerWaalsContact O-N 3.16Å
618A31.6Very low32.6Very low89 Ų89124.3 Ų124.374%0.73680%0.799SS**  trans-66.7104.817000000109.3V616V616-A618 PolarHBondContact O-N 3.35Å
619A33.1Very low32.6Very low95 Ų95117.6 Ų117.679%0.78580%0.797SS**  trans-87.4108.9165.200000108.2V617V617-A619 PolarHBondContact O-N 2.72Å; V617-A619 VanDerWaalsContact O-N 3.16Å
620S34.9Very low32.9Very low117 Ų117117.9 Ų117.982%0.81879%0.794SS**PPolyproline II helixtrans-64.8129.4176.436.50000111.9
621S28.6Very low32.9Very low115 Ų115114.1 Ų114.180%0.80479%0.788SS**PPolyproline II helixtrans-58.2135.2173.3-43.80000112.4
622P35.4Very low32.5Very low126 Ų126113.5 Ų113.582%0.81879%0.792SS**PPolyproline II helixtrans-84.9137.6157.722.5-10.9000110.5
623A31.8Very low32.2Very low91 Ų91113.6 Ų113.675%0.75280%0.795SS**PPolyproline II helixtrans-65132.6-174.900000113.7
624S29.7Very low32.1Very low118 Ų118112 Ų11283%0.82579%0.792SS**  trans16.6101.3141.350.10000117.8
625A31.5Very low31.9Very low93 Ų93116 Ų11677%0.76980%0.799SS**  trans-108105.9153.700000108.5L627A625-L627 PolarHBondContact O-N 3.45Å
626S29.9Very low31.8Very low121 Ų121115.3 Ų115.385%0.84679%0.794SS**  trans-62.2123.7169.348.80000110.5
627L31.1Very low31.5Very low163 Ų163116.3 Ų116.385%0.85379%0.791SS**  trans-123.6138.4166-80.8163.4000109.1A625A625-L627 PolarHBondContact O-N 3.45Å
628P38.8Very low31.3Very low107 Ų107118.4 Ų118.470%0.69580%0.797SS**  trans-83.6150.4-159.933.3-34.4000112.8V630P628-V630 PolarHBondContact O-N 3.3Å
629A28.6Very low31.2Very low108 Ų108121.9 Ų121.989%0.89380%0.795SS**  trans-53.6114.6170.100000111.2
630V31.6Very low31.2Very low138 Ų138122.4 Ų122.484%0.83679%0.793SS**  trans-109.9121.2161178.20000107.1P628P628-V630 PolarHBondContact O-N 3.3Å
631A32Very low31Very low91 Ų91125 Ų12575%0.75280%0.797SS**  trans-56.7145.5-173.600000113.3S633A631-S633 PolarHBondContact O-N 3.35Å
632A27.6Very low31.1Very low96 Ų96123.6 Ų123.679%0.79379%0.793SS**  trans-51.6126.8165.900000111.4
633S28.6Very low30.8Very low120 Ų120123.3 Ų123.384%0.83979%0.794SS**  trans-161.8136152.9-85.30000111.7A631A631-S633 PolarHBondContact O-N 3.35Å
634A31.5Very low30.8Very low85 Ų85123.8 Ų123.870%0.70280%0.798SS**  trans74.285.416000000118.6T636A634-T636 PolarHBondContact O-N 3.45Å; A634-T636 VanDerWaalsContact O-N 3.14Å
635I30.7Very low30.8Very low175 Ų175122.9 Ų122.990%0.89780%0.798SS**  trans-48.1111.5145.5-62.6165.1000107.7
636T30Very low30.9Very low113 Ų113127.7 Ų127.769%0.69380%0.804SS**  trans-112112.3168.2-46.20000107.3A634 L638A634-T636 PolarHBondContact O-N 3.45Å; A634-T636 VanDerWaalsContact O-N 3.14Å; T636-L638 PolarHBondContact O-N 3.39Å
637E30.4Very low30.8Very low153 Ų153131.2 Ų131.272%0.71580%0.804SS**  trans-51.2119.4171.4-73.6-162.6154.900110.8
638L29.8Very low31Very low173 Ų173128.9 Ų128.991%0.90680%0.799SS**  trans-106.392.2163.7-104.2141.8000108.1T636 S640T636-L638 PolarHBondContact O-N 3.39Å; L638-S640 PolarHBondContact O-N 2.95Å
639K30.7Very low30.7Very low162 Ų162130.9 Ų130.970%0.70481%0.809SS**  trans-54.7127.5166.2-82173.6175.1169.90110.6
640S32.2Very low30.7Very low105 Ų105130.8 Ų130.873%0.73480%0.797SS**  trans16.5104.5143.661.70000116.8L638L638-S640 PolarHBondContact O-N 2.95Å
641N30.8Very low30.5Very low171 Ų171131.7 Ų131.791%0.91480%0.798SS**  trans-115.8114.3150.3-94.2-17.4000108.9
642A30.3Very low30.5Very low86 Ų86133.1 Ų133.171%0.71180%0.802SS**  trans-74.4155.6-178.200000112.3
643S29.7Very low30.7Very low121 Ų121133.9 Ų133.985%0.84680%0.802SS**  trans68.388.8143.6-57.10000118.2
644A30.9Very low30.7Very low101 Ų101132.6 Ų132.684%0.83580%0.798SS**  trans-110.397.8145.200000108.5Q646A644-Q646 PolarHBondContact O-N 3.38Å
645A30.4Very low30.9Very low99 Ų99134.5 Ų134.582%0.81880%0.803SS**  trans-61.1117.8177.400000111.3
646Q33.1Very low30.8Very low193 Ų193135.1 Ų135.190%0.90281%0.805SS**  trans-105.7121.5159.9-87170.6-24.900109A644A644-Q646 PolarHBondContact O-N 3.38Å
647K28.9Very low30.8Very low196 Ų196137.8 Ų137.885%0.85281%0.814SS**  trans-61.1151.3-173.1-82.9175.3173.7177.60112.6
648P34.1Very low30.9Very low114 Ų114138.4 Ų138.474%0.7482%0.819SS**  trans-78.7132.5-170.231.6-32.3000111.6
649V32.1Very low30.9Very low149 Ų149136.5 Ų136.590%0.90381%0.814SS**  trans-85.4106.5163.2178.30000107.1
650T28.9Very low30.9Very low106 Ų106137 Ų13765%0.6582%0.824SS**  trans-80.9145.817447.70000111.4
651N28.6Very low30.9Very low157 Ų157137.1 Ų137.184%0.8483%0.825SS**  trans8497.1160.2-59.1-12000118
652S31.5Very low30.9Very low121 Ų121136.4 Ų136.485%0.84682%0.821SS**  -152.8135.9119.7-163.70000110.5
653S30.7Very low30.8Very low112 Ų112140 Ų14078%0.78383%0.827SS**PPolyproline II helixtrans-55.4133.2-167.135.80000116.6
654A30Very low30.7Very low93 Ų93143.2 Ų143.277%0.76983%0.829SS**PPolyproline II helixtrans-71.2143.516600000111.8
655P34.4Very low30.7Very low124 Ų124143.3 Ų143.381%0.80582%0.824SS**PPolyproline II helixtrans-78.7134.7173.331.5-30000111L657P655-L657 PolarHBondContact O-N 2.95Å
656M29.2Very low30.5Very low189 Ų189144.2 Ų144.293%0.93182%0.824SS**  trans-55.2114.3177.9-157.2-179.9-171.400111.6
657L31.1Very low30.4Very low168 Ų168141.6 Ų141.688%0.8882%0.821SS**  trans-101.5119.3169.8-112.9153.2000109.1P655P655-L657 PolarHBondContact O-N 2.95Å
658M31.5Very low30.5Very low167 Ų167138.1 Ų138.182%0.82382%0.822SS**  trans-58.3127.8-175.7-75.3-81.8-147.900112.3L660M658-L660 PolarHBondContact O-N 3.06Å
659T30.5Very low30.2Very low133 Ų133137.2 Ų137.282%0.81682%0.824SS**  trans-69.3106.2168.7370000110.3S661T659-S661 PolarHBondContact O-N 3.49Å
660L29.8Very low30Very low172 Ų172133.7 Ų133.790%0.90182%0.818SS**PPolyproline II helixtrans-69.1121.9169.1-83.6158000109.5M658M658-L660 PolarHBondContact O-N 3.06Å
661S32.7Very low30Very low108 Ų108137.4 Ų137.476%0.75583%0.827SS**PPolyproline II helixtrans-73.2126.2-176.9-600000111.2T659 L663T659-S661 PolarHBondContact O-N 3.49Å; S661-L663 PolarHBondContact O-N 3.06Å
662N31Very low29.8Very low156 Ų156136 Ų13683%0.83483%0.828SS**PPolyproline II helixtrans-54.2117175.4-75.2-34.5000112.4Q664N662-Q664 PolarHBondContact O-N 3.33Å
663L27.9Very low29.7Very low162 Ų162136.1 Ų136.185%0.84882%0.824SS**  trans-75.4105.7160.6-10284000108.8S661 S665S661-L663 PolarHBondContact O-N 3.06Å; L663-S665 PolarHBondContact O-N 3.29Å
664Q28.4Very low29.5Very low188 Ų188139.2 Ų139.288%0.87983%0.831SS**  trans-76102168.6-74175.8-23.800109.5N662 S666N662-Q664 PolarHBondContact O-N 3.33Å; Q664-S666 PolarHBondContact O-N 3.46Å
665S29.5Very low29.4Very low103 Ų103141 Ų14172%0.7283%0.833SS**  trans-80.4103.6169.8-61.30000109.7L663 T667L663-S665 PolarHBondContact O-N 3.29Å; S665-T667 PolarHBondContact O-N 3.22Å
666S27.2Very low29.5Very low118 Ų118141 Ų14183%0.82583%0.833SS**  trans-63.8110.2172.754.70000110.9Q664Q664-S666 PolarHBondContact O-N 3.46Å
667T30.6Very low29.6Very low137 Ų137136.8 Ų136.884%0.8483%0.828SS**  trans-102.9106.416541.30000108.3S665 A669S665-T667 PolarHBondContact O-N 3.22Å; T667-A669 PolarHBondContact O-N 2.72Å
668S29.7Very low29.5Very low124 Ų124134.3 Ų134.387%0.86782%0.824SS**  trans-72.4105.6174.945.40000109.6G670S668-G670 PolarHBondContact O-N 2.83Å; S668-G670 VanDerWaalsContact O-N 3.13Å
669A28.6Very low29.5Very low95 Ų95132.7 Ų132.779%0.78582%0.824SS**  trans-70.5100.7169.900000109.7T667 Q671T667-A669 PolarHBondContact O-N 2.72Å; A669-Q671 PolarHBondContact O-N 2.77Å
670G29.2Very low29.4Very low75 Ų75134.5 Ų134.577%0.77383%0.828SS**  trans-70.6101.8169.200000110.6S668 C672S668-G670 PolarHBondContact O-N 2.83Å; S668-G670 VanDerWaalsContact O-N 3.13Å; G670-C672 PolarHBondContact O-N 3.34Å
671Q27.1Very low29.6Very low183 Ų183134.3 Ų134.386%0.85583%0.827SS**  trans-69.5112168.2-77.2171.7-1800109.6A669A669-Q671 PolarHBondContact O-N 2.77Å
672C25.9Very low29.4Very low127 Ų127140.4 Ų140.486%0.85883%0.833SS**  trans-95.1106.5164.6-78.80000109G670G670-C672 PolarHBondContact O-N 3.34Å
673T29.6Very low29.1Very low125 Ų125143.7 Ų143.777%0.76783%0.834SS**  trans-76.8115.2174.434.30000110.4
674L25.6Very low29.3Very low177 Ų177141.3 Ų141.393%0.92783%0.831SS**  trans-76.4119.1171.2-72.4158.7000109.1
675T28.2Very low29.3Very low131 Ų131139.1 Ų139.180%0.80483%0.825SS**  trans-109.4136.3166.838.70000109.7
676P36.2Very low29.6Very low124 Ų124139.1 Ų139.181%0.80583%0.825SS**  trans-91.7120.8-170.134.1-29.7000110.8
677A31.5Very low29.5Very low99 Ų99145 Ų14582%0.81883%0.829SS**  trans-100.397.2170.500000109.8T679A677-T679 PolarHBondContact O-N 3.38Å
678S28.7Very low29.7Very low116 Ų116143.7 Ų143.781%0.81182%0.823SS**  trans-70.3116.3164.2-60.90000109.4
679T32.3Very low29.9Very low134 Ų134147.4 Ų147.482%0.82282%0.824SS**  trans-146.5117.4154.8-9.90000111.1A677A677-T679 PolarHBondContact O-N 3.38Å
680L28.1Very low30.2Very low170 Ų170149 Ų14989%0.8982%0.823SS**  trans-69.3121175.3-69.1160.2000110.7
681L32.5Very low30.4Very low168 Ų168150.7 Ų150.788%0.8882%0.821SS**  trans-142.592.8157.7-82.4176.6000112.1
682R29.3Very low30.8Very low237 Ų237146.2 Ų146.289%0.89482%0.815SS**  42.292.3128.7-144.6172.8-170.7-161.41.9119
683R25.2Very low31.2Very low225 Ų225145.7 Ų145.785%0.84981%0.81SS**  trans-0.4111.7136.9-153.9175.9-168.9-176.23.9115.8
684S30.9Very low31.3Very low111 Ų111145.7 Ų145.778%0.77681%0.813SS**  trans-120.6122.4151.580.10000109.2
685N29.8Very low31.7Very low142 Ų142148.5 Ų148.576%0.75981%0.811SS**  trans-86.6109.5175.6-92.3-13.2000108.1
686S34.3Very low31.8Very low103 Ų103147.3 Ų147.372%0.7281%0.805SS**  trans-156.3112.2151.955.30000109.5P688S686-P688 WeakPolarHBondContact O-CD 3.45Å
687R26.6Very low31.5Very low241 Ų241147.2 Ų147.291%0.90981%0.805SS**  trans-74.7121.3178.8-178.1-173.6-150.3-163.16.3110.4
688P34.3Very low31.3Very low110 Ų110147.5 Ų147.571%0.71480%0.801SS**  trans-92.7134.9155.8-1.822.8000109.2S686 V690S686-P688 WeakPolarHBondContact O-CD 3.45Å; P688-V690 PolarHBondContact O-N 3.43Å; P688-V690 VanDerWaalsContact O-N 3.15Å
689K33.6Very low31.3Very low202 Ų202148 Ų14888%0.87880%0.801SS**  trans-72.898.5-177.5-152.5176.5-173.2-178.70108.6P691K689-P691 WeakPolarHBondContact O-CD 3.31Å
690V34.7Very low31.1Very low128 Ų128148.2 Ų148.278%0.77680%0.803SS**PPolyproline II helixtrans-72.8123.2176.6-1780000109P688P688-V690 PolarHBondContact O-N 3.43Å; P688-V690 VanDerWaalsContact O-N 3.15Å
691P34.4Very low31.2Very low111 Ų111149.4 Ų149.472%0.72180%0.795SS**PPolyproline II helixtrans-62.7142.5174.9-1729.5000111.1K689K689-P691 WeakPolarHBondContact O-CD 3.31Å
692A35.8Very low31.2Very low90 Ų90144.2 Ų144.274%0.74477%0.768SS**PPolyproline II helixtrans-57137.9178.800000111
693P34.4Very low31.6Very low115 Ų115137.4 Ų137.475%0.74776%0.757SS**PPolyproline II helixtrans-62.8140.9-176.924.5-32.6000110.8R695P693-R695 PolarHBondContact O-N 3.5Å
694P31.9Very low32.2Very low126 Ų126128.1 Ų128.182%0.81873%0.731SS**PPolyproline II helixtrans-60.6136177.124-31000110
695R32.2Very low32.8Very low235 Ų235129.7 Ų129.789%0.88773%0.726SS**PPolyproline II helixtrans-54.6132.8179.6-172.3-179.7-118.4-122.4-0.8109.5P693P693-R695 PolarHBondContact O-N 3.5Å
696P31.2Very low33.7Very low106 Ų106126.8 Ų126.869%0.68870%0.704SS**PPolyproline II helixtrans-59.2137.4-179.122.2-31.6000110.4
697P29Very low34.8Very low123 Ų123124.4 Ų124.480%0.79969%0.686SS**PPolyproline II helixtrans-61.9139.4177.224.6-31.3000110.2
698S27.3Very low36.4Very low105 Ų105116.3 Ų116.373%0.73466%0.655SS**PPolyproline II helixtrans-50.6140.4176.1-44.50000110.6T700S698-T700 PolarHBondContact O-N 3.38Å
699P29.2Very low37.8Very low127 Ų127111.8 Ų111.883%0.82563%0.626SS**PPolyproline II helixtrans-58.5116.7-172.122.9-32.1000110.3R701P699-R701 PolarHBondContact O-N 3.46Å
700T28.8Very low38.9Very low138 Ų138106.5 Ų106.585%0.84761%0.605SS**  trans-62.5107.7176.5-24.40000107.7S698 L702S698-T700 PolarHBondContact O-N 3.38Å; T700-L702 PolarHBondContact O-N 3.39Å
701R29.4Very low39.7Very low195 Ų195100.6 Ų100.674%0.73657%0.569SS**  trans-61.6120.8178.4-153-179.4-166.8-167.22108.2P699 S703P699-R701 PolarHBondContact O-N 3.46Å; R701-S703 PolarHBondContact O-N 3.05Å
702L32.4Very low40.4Very low59 Ų5996.4 Ų96.431%0.30955%0.546SS..  trans-56.8119.9-179-70.5161000110.6F390 L421 T700F390-L702 HydrophobicContact CZ-CD1 4.27Å; L421-L702 HydrophobicContact CD1-CD2 3.82Å; L421-L702 HydrophobicContact CD2-CD2 3.37Å; L421-L702 HydrophobicContact CG-CD2 4.2Å; T700-L702 PolarHBondContact O-N 3.39Å
703S38.2Very low40.7Very low94 Ų9495.3 Ų95.366%0.65753%0.533SS*.  trans-128.3102.7158.8-167.10000107.2R701R701-S703 PolarHBondContact O-N 3.05Å
704G38Very low40.9Very low30 Ų3094.7 Ų94.731%0.30953%0.527SS..  trans-55.9155154.700000109.1R706G704-R706 PolarHBondContact O-N 3Å
705E42.9Very low40.9Very low143 Ų14397.5 Ų97.567%0.66853%0.529SS*.  trans-65.999.6172.8-169.5177.9-164.900107.7
706R49.1Very low40.9Very low81 Ų8191.4 Ų91.431%0.30652%0.523SS..PPolyproline II helixtrans-79.1124.3179.8-68179.8-172.8166.80.9108.8L146 G704 Y708L146-R706 HydrophobicContact CD2-CB 4.15Å; G704-R706 PolarHBondContact O-N 3Å; R706-Y708 HydrophobicContact CB-CE2 3.78Å; R706-Y708 WeakPolarHBondContact O-CD2 3.43Å; R706-Y708 WeakPolarHBondContact O-CE2 3.27Å
707V57.1Low40.6Very low54 Ų5493.6 Ų93.633%0.32753%0.527SS..PPolyproline II helixtrans-96.3121.7176.1-175.50000108.7Q147Q147-V707 PolarHBondContact N-O 3.41Å
708Y60.1Low40.4Very low70 Ų7093.5 Ų93.528%0.27553%0.526SS..BIsolated β-bridgetrans-102.3148.7-179.4-60.5-90.5000110.4E106 L109 L146 R706E106-Y708 HydrophobicContact CB-CD1 4.44Å; E106-Y708 HydrophobicContact CB-CE1 4.32Å; E106-Y708 HydrophobicContact CG-CD1 4.19Å; E106-Y708 HydrophobicContact CG-CG 4.39Å; L109-Y708 HydrophobicContact CD2-CD1 4.32Å; L109-Y708 HydrophobicContact CD2-CE1 4.48Å; L146-Y708 HydrophobicContact CD2-CD1 3.66Å; L146-Y708 HydrophobicContact CD2-CE1 3.49Å; L146-Y708 VanDerWaalsContact CD2-CE1 3.49Å; L146-Y708 HydrophobicContact CD2-CG 4.37Å; R706-Y708 HydrophobicContact CB-CE2 3.78Å; R706-Y708 WeakPolarHBondContact O-CD2 3.43Å; R706-Y708 WeakPolarHBondContact O-CE2 3.27Å
709C63.3Low40.4Very low15 Ų1594.9 Ų94.910%0.10153%0.525CS..  trans-126.8150.8169.8-65.60000109.5H180H180-C709 WeakPolarHBondContact CE1-CB 3.25Å; H180-C709 WeakPolarHBondContact NE2-CB 3.49Å
710E58.3Low40.4Very low92 Ų9298.2 Ų98.243%0.4353%0.529SS..  trans-137.1144.3-175.1-24.2-172.9121.500112.4V141 K144 H186V141-E710 HydrophobicContact CG2-CB 4.41Å; K144-E710 VanDerWaalsContact NZ-CD 3.3Å; K144-E710 IonicContact NZ-OE1 3.85Å; K144-E710 PolarHBondContact NZ-OE1 3.01Å; H186-E710 PolarHBondContact CE1-O 3.48Å
711I50Low40.5Very low3 Ų395.8 Ų95.82%0.01552%0.518CS..  trans-106.2145.2171.8-53.2177.3000109.9V141 V142 T173 H176 E177 T204V141-I711 WeakPolarHBondContact CA-O 3.44Å; V142-I711 HydrophobicContact CG2-CB 3.89Å; V142-I711 HydrophobicContact CG2-CD1 4.29Å; V142-I711 HydrophobicContact CG2-CG2 3.64Å; T173-I711 HydrophobicContact CG2-CD1 4.39Å; H176-I711 HydrophobicContact CB-CD1 4.3Å; H176-I711 VanDerWaalsContact CD2-CD1 3.4Å; H176-I711 WeakPolarHBondContact CD2-CD1 3.25Å; E177-I711 WeakPolarHBondContact OE1-CD1 3.28Å; T204-I711 HydrophobicContact CG2-CD1 4.11Å; T204-I711 HydrophobicContact CG2-CG2 3.69Å; T204-I711 WeakPolarHBondContact OG1-CG2 3.28Å
712G48.9Very low40.7Very low24 Ų2493.3 Ų93.325%0.24751%0.514CS..EExtended strand (participates in β ladder)trans-111.2149.1167.600000113.8G140 I203G140-G712 CarbonylContact O-C 3.56Å; I203-G712 WeakPolarHBondContact CG2-O 3.48Å
713S42.7Very low41.1Very low66 Ų6693.3 Ų93.346%0.46252%0.52SS..EExtended strand (participates in β ladder)trans-89.1147.9174.276.50000113.6G140G140-S713 PolarHBondContact O-N 3.07Å
714V38.1Very low41.1Very low103 Ų10393.2 Ų93.262%0.62451%0.512SS*.  trans-107.7137.7152.9179.80000108I203 S716I203-V714 HydrophobicContact CG2-CG2 4.07Å; V714-S716 PolarHBondContact O-N 3Å; V714-S716 VanDerWaalsContact O-N 3.14Å
715Q33.6Very low41.1Very low184 Ų18499 Ų9986%0.8653%0.531SS*.PPolyproline II helixtrans-46.1118.4-179.7-75.7176.7-25.600111.3I717Q715-I717 PolarHBondContact O-N 3.19Å
716S30.8Very low41Very low108 Ų10894.4 Ų94.476%0.75551%0.51SS*.PPolyproline II helixtrans-66.9117.2-18042.30000110.7V714V714-S716 PolarHBondContact O-N 3Å; V714-S716 VanDerWaalsContact O-N 3.14Å
717I24.7Very low40.5Very low152 Ų15297.6 Ų97.678%0.77953%0.527SS*.PPolyproline II helixtrans-82.1127164.3-60173.8000106.7Q715 L719Q715-I717 PolarHBondContact O-N 3.19Å; I717-L719 PolarHBondContact O-N 3.16Å
718P25.8Very low39.7Very low121 Ų121103.8 Ų103.879%0.78654%0.544SS*.  trans-65110.9-178.9-15.728.2000110.6Q720P718-Q720 PolarHBondContact O-N 3.07Å
719L27.4Very low38.7Very low134 Ų134101.5 Ų101.570%0.70254%0.539SS*.  trans-79.6103.6171.8-97.5154.6000109.3I717 S721I717-L719 PolarHBondContact O-N 3.16Å; L719-S721 PolarHBondContact O-N 3.46Å
720Q28.5Very low37.7Very low197 Ų197103 Ų10392%0.92155%0.547SS*.  trans-69.777.6158.5-76.3-177-13.100108.7P718P718-Q720 PolarHBondContact O-N 3.07Å
721S31.6Very low37.3Very low87 Ų87102.8 Ų102.861%0.60856%0.555SS**  trans-120.3111.7169.9174.30000108.6L719 S723L719-S721 PolarHBondContact O-N 3.46Å; S721-S723 PolarHBondContact O-N 3.11Å
722H32.9Very low37.1Very low142 Ų142106.8 Ų106.866%0.65758%0.579SS**  trans-68.380.1172.2-85.8-93.4000110N724H722-N724 PolarHBondContact ND1-OD1 3.18Å; H722-N724 VanDerWaalsContact ND1-OD1 3.1Å; H722-N724 PolarHBondContact O-N 3.47Å
723S40.3Very low36.5Very low60 Ų60106.7 Ų106.742%0.4257%0.573SS.*  trans-72.471.5158.2-175.10000108.6S721 E725 L726 K727S721-S723 PolarHBondContact O-N 3.11Å; S723-E725 PolarHBondContact O-N 3.32Å; S723-L726 PolarHBondContact O-N 3.17Å; S723-L726 WeakPolarHBondContact OG-CB 3.49Å; S723-L726 PolarHBondContact OG-N 3.13Å; S723-K727 PolarHBondContact O-N 3.48Å
724N39.8Very low36Very low92 Ų92107.5 Ų107.549%0.49258%0.577SS.*Hα-helixtrans-66.5-21.4178.3-72.9-23000111.3H722 R728H722-N724 PolarHBondContact ND1-OD1 3.18Å; H722-N724 VanDerWaalsContact ND1-OD1 3.1Å; H722-N724 PolarHBondContact O-N 3.47Å; N724-R728 WeakPolarHBondContact O-CB 3.29Å; N724-R728 PolarHBondContact O-N 3.23Å; N724-R728 VanDerWaalsContact O-N 3.12Å
725E38.1Very low35.8Very low151 Ų151108.2 Ų108.271%0.70658%0.581SS**Hα-helixtrans-75.7-41.5176.1-72.2-178.9164.700112.2S723 R728 A729S723-E725 PolarHBondContact O-N 3.32Å; E725-R728 WeakPolarHBondContact O-CB 3.26Å; E725-R728 PolarHBondContact O-N 3.25Å; E725-A729 PolarHBondContact O-N 3.35Å
726L39.8Very low35.6Very low47 Ų47103.7 Ų103.725%0.24657%0.568CS.*Hα-helixtrans-71.2-39.4177.3-172.467.3000111.9S723 R728 A729 L730S723-L726 PolarHBondContact O-N 3.17Å; S723-L726 WeakPolarHBondContact OG-CB 3.49Å; S723-L726 PolarHBondContact OG-N 3.13Å; L726-R728 PolarHBondContact O-N 3.29Å; L726-A729 PolarHBondContact O-N 2.88Å; L726-L730 HydrophobicContact CG-CD1 4.23Å; L726-L730 PolarHBondContact O-N 3.22Å
727K38.7Very low35.6Very low148 Ų148102.8 Ų102.864%0.64357%0.567SS**Hα-helixtrans-60.1-36.1169.8-80.5-175.2177.1179.90111.6S723 S731S723-K727 PolarHBondContact O-N 3.48Å; K727-S731 VanDerWaalsContact O-CB 3.29Å; K727-S731 WeakPolarHBondContact O-CB 3.15Å; K727-S731 PolarHBondContact O-N 3.48Å; K727-S731 PolarHBondContact O-OG 2.89Å
728R39.4Very low35.9Very low183 Ų183101.4 Ų101.469%0.69157%0.566SS**Hα-helixtrans-69.3-38.7176.8-161.5178.5-74.9-167.5-3.9111.5N724 E725 L726 S731 T732N724-R728 WeakPolarHBondContact O-CB 3.29Å; N724-R728 PolarHBondContact O-N 3.23Å; N724-R728 VanDerWaalsContact O-N 3.12Å; E725-R728 WeakPolarHBondContact O-CB 3.26Å; E725-R728 PolarHBondContact O-N 3.25Å; L726-R728 PolarHBondContact O-N 3.29Å; R728-S731 VanDerWaalsContact C-OG 3.31Å; R728-S731 VanDerWaalsContact CA-OG 3.26Å; R728-S731 WeakPolarHBondContact CA-OG 3.09Å; R728-S731 PolarHBondContact O-N 2.79Å; R728-S731 PolarHBondContact O-OG 2.97Å; R728-T732 PolarHBondContact O-N 3.44Å; R728-T732 VanDerWaalsContact O-N 3.16Å
729A40Very low36Very low22 Ų22102 Ų10218%0.18257%0.567CS.*Hα-helixtrans-71-36.5174.900000113.6E725 L726 S731 T732E725-A729 PolarHBondContact O-N 3.35Å; L726-A729 PolarHBondContact O-N 2.88Å; A729-S731 VanDerWaalsContact C-N 3.31Å; A729-T732 WeakPolarHBondContact CA-OG1 3.23Å; A729-T732 PolarHBondContact O-N 3.19Å; A729-T732 PolarHBondContact O-OG1 3.48Å
730L41.9Very low35.9Very low48 Ų48103.5 Ų103.525%0.25157%0.572SS.*Hα-helixtrans-69.6-31.8170.8-76.7160.4000111.2L726 T732 L733L726-L730 HydrophobicContact CG-CD1 4.23Å; L726-L730 PolarHBondContact O-N 3.22Å; L730-T732 PolarHBondContact O-N 3.48Å; L730-L733 HydrophobicContact CD2-CD1 4.14Å; L730-L733 WeakPolarHBondContact O-CB 3.49Å; L730-L733 PolarHBondContact O-N 2.81Å
731S50.1Low36.1Very low87 Ų8799.6 Ų99.661%0.60856%0.564SS**THydrogen-bonded Turntrans-73.8-11.3173.769.80000114.4K727 R728 A729K727-S731 VanDerWaalsContact O-CB 3.29Å; K727-S731 WeakPolarHBondContact O-CB 3.15Å; K727-S731 PolarHBondContact O-N 3.48Å; K727-S731 PolarHBondContact O-OG 2.89Å; R728-S731 VanDerWaalsContact C-OG 3.31Å; R728-S731 VanDerWaalsContact CA-OG 3.26Å; R728-S731 WeakPolarHBondContact CA-OG 3.09Å; R728-S731 PolarHBondContact O-N 2.79Å; R728-S731 PolarHBondContact O-OG 2.97Å; A729-S731 VanDerWaalsContact C-N 3.31Å
732T46.5Very low36.1Very low86 Ų86103.9 Ų103.953%0.52857%0.574SS.*THydrogen-bonded Turntrans-84.8-10.6171.146.20000113.3R728 A729 L730 P734R728-T732 PolarHBondContact O-N 3.44Å; R728-T732 VanDerWaalsContact O-N 3.16Å; A729-T732 WeakPolarHBondContact CA-OG1 3.23Å; A729-T732 PolarHBondContact O-N 3.19Å; A729-T732 PolarHBondContact O-OG1 3.48Å; L730-T732 PolarHBondContact O-N 3.48Å; T732-P734 VanDerWaalsContact O-CD 3.31Å; T732-P734 WeakPolarHBondContact O-CD 3.29Å
733L35.6Very low36Very low23 Ų23108.9 Ų108.912%0.1259%0.588CS.*SBendtrans-67.1118.8166.6-66.8171.3000107.5Q69 L244 L730 V735Q69-L733 HydrophobicContact CG-CD1 4.22Å; L244-L733 HydrophobicContact CD1-CD2 4.21Å; L244-L733 HydrophobicContact CD2-CD2 4.45Å; L244-L733 HydrophobicContact CG-CD2 4.45Å; L730-L733 HydrophobicContact CD2-CD1 4.14Å; L730-L733 WeakPolarHBondContact O-CB 3.49Å; L730-L733 PolarHBondContact O-N 2.81Å; L733-V735 PolarHBondContact O-N 3.46Å
734P32.4Very low35.6Very low82 Ų82117.3 Ų117.353%0.53261%0.61SS.*  trans-60.6112.5179.422.1-30.4000109.3L244 T732L244-P734 HydrophobicContact CD1-CG 3.83Å; T732-P734 VanDerWaalsContact O-CD 3.31Å; T732-P734 WeakPolarHBondContact O-CD 3.29Å
735V33.1Very low35.5Very low118 Ų118116.9 Ų116.972%0.71562%0.619SS**  trans-58.2128.3160.3-179.20000105.7L733 A737L733-V735 PolarHBondContact O-N 3.46Å; V735-A737 PolarHBondContact O-N 3.26Å
736P30.7Very low35.4Very low90 Ų90115.3 Ų115.358%0.58462%0.622SS**  trans-54.7100-173.717.2-28.7000110.1T738P736-T738 PolarHBondContact O-N 2.96Å
737A30.2Very low35.2Very low89 Ų89118.9 Ų118.974%0.73665%0.648SS**  trans-80108-176.100000107.7V735V735-A737 PolarHBondContact O-N 3.26Å
738T30.7Very low35.1Very low122 Ų122117.1 Ų117.175%0.74865%0.652SS**  trans45.297.4145.4-38.90000115.2P736 M740P736-T738 PolarHBondContact O-N 2.96Å; T738-M740 PolarHBondContact O-N 3.3Å
739V29.2Very low35Very low134 Ų134114.2 Ų114.281%0.81266%0.657SS**  trans-2.190.6153.1-174.60000112.9
740M25.3Very low34.8Very low166 Ų166121.2 Ų121.282%0.81869%0.691SS**  trans-58.9131.6165.2-81.2-80.217200107.6T738 Q742T738-M740 PolarHBondContact O-N 3.3Å; M740-Q742 PolarHBondContact O-N 2.99Å
741P32.1Very low34.5Very low115 Ų115124.3 Ų124.375%0.74772%0.717SS**  trans-65.5110.8-177.725.9-30.9000108.3R743P741-R743 PolarHBondContact O-N 3.04Å
742Q31.6Very low33.9Very low177 Ų177125.7 Ų125.783%0.82772%0.723SS**  trans-44.6111.4175.4-69.5-107.9-3500109.6M740 R744M740-Q742 PolarHBondContact O-N 2.99Å; Q742-R744 VanDerWaalsContact C-N 3.34Å; Q742-R744 PolarHBondContact O-N 2.8Å
743R30.6Very low33.2Very low247 Ų247129.1 Ų129.193%0.93274%0.739SS**  trans-60.3105.3159.4-77.9-171.8-175.2-161.92.6105.6P741 A745P741-R743 PolarHBondContact O-N 3.04Å; R743-A745 PolarHBondContact O-N 3.39Å
744R32.3Very low33.2Very low237 Ų237135.6 Ų135.689%0.89477%0.772SS**  trans-49114.7177.1-72.3-177.7-166.6-154.41.7108.3Q742Q742-R744 VanDerWaalsContact C-N 3.34Å; Q742-R744 PolarHBondContact O-N 2.8Å
745A37.5Very low33.2Very low83 Ų83139.9 Ų139.969%0.68679%0.785SS**PPolyproline II helixtrans-54.1140.5163.100000108.4R743R743-A745 PolarHBondContact O-N 3.39Å
746P36.3Very low33.2Very low118 Ų118140 Ų14077%0.76679%0.788SS**PPolyproline II helixtrans-57.2141.5178.821.6-30.5000110.4
747P35.7Very low33.2Very low121 Ų121144.7 Ų144.779%0.78680%0.799SS**PPolyproline II helixtrans-63.2139.3-172.224.8-33000111.2
748P36.5Very low33.2Very low112 Ų112150.7 Ų150.773%0.72780%0.803SS**PPolyproline II helixtrans-66.9150.3177.727.5-33.1000111.1
749P36.5Very low33.1Very low122 Ų122150.9 Ų150.979%0.79281%0.81SS**PPolyproline II helixtrans-63.9142.3-177.924.5-32.1000112.4S751P749-S751 PolarHBondContact O-N 3.35Å
750D35.5Very low33.3Very low169 Ų169153.9 Ų153.990%0.90481%0.806SS**  trans-53.5114.5-173.6-66.5-42000112.3
751S36.1Very low33.5Very low113 Ų113156 Ų15679%0.7981%0.811SS**  trans-80.3136.7171.5-81.60000110.8P749 N753P749-S751 PolarHBondContact O-N 3.35Å; S751-N753 PolarHBondContact O-N 3.28Å
752P37.6Very low33.4Very low115 Ų115157.2 Ų157.275%0.74782%0.816SS**  trans-69.3134.7-174.725.2-30.6000112.3I754P752-I754 PolarHBondContact O-N 3.47Å
753N32.6Very low33.3Very low159 Ų159157.1 Ų157.185%0.8582%0.815SS**  trans-46.4105.7179.6-161.66.5000113S751S751-N753 PolarHBondContact O-N 3.28Å
754I33.9Very low33.6Very low159 Ų159151.3 Ų151.382%0.81581%0.81SS**  trans-111.9106166.8-60.6177.8000107.8P752P752-I754 PolarHBondContact O-N 3.47Å
755E32.4Very low33.6Very low171 Ų171147 Ų14780%0.79981%0.809SS**  trans-69.3130.2-177.2-155.1176.8-161.500111.4
756P34.9Very low33.2Very low122 Ų122150.3 Ų150.379%0.79282%0.816SS**  trans-90.8111.6-172.332.8-30.5000111.8
757K29.2Very low32.8Very low187 Ų187147.9 Ų147.981%0.81381%0.812SS**  trans-100.8156.7157.6-84.4179.3177.2172.40109.3
758W31.6Very low32.7Very low215 Ų215148.4 Ų148.481%0.81481%0.813SS**  trans100.860.5179.6-52.4102.7000116.1
759S28.8Very low32.4Very low127 Ų127155.3 Ų155.389%0.88882%0.824SS**  trans-86.4114.314841.60000108.9
760R32.5Very low32.3Very low197 Ų197155.6 Ų155.674%0.74382%0.824SS**  trans-123116.8168.7-153.2-176.3-67.9-178.12.6108.8
761K30.2Very low32.3Very low211 Ų211151.9 Ų151.992%0.91781%0.811SS**  trans-58.7137.5178.3-81.6177.5171.6-178.80111
762V28.7Very low32.8Very low140 Ų140152.5 Ų152.585%0.84881%0.81SS**  trans-98.1121.5174.6176.30000107.6
763E30.4Very low33Very low174 Ų174155.9 Ų155.981%0.81381%0.813SS**  trans-104.4152.3165.5-91.1-163.9159.800110.5
764P36Very low33.5Very low126 Ų126154.3 Ų154.382%0.81880%0.804SS**PPolyproline II helixtrans-88.6139.1-160.531.4-24.9000112.8
765V32.5Very low34Very low145 Ų145156.8 Ų156.888%0.87980%0.804SS**PPolyproline II helixtrans-96.2119.9-176.8175.60000110.2
766D29.6Very low34.4Very low154 Ų154156.3 Ų156.382%0.82480%0.801SS**PPolyproline II helixtrans-80.5147.5174.5-157.3-1.6000111.7
767G28.6Very low34.6Very low66 Ų66159 Ų15968%0.6880%0.801SS**PPolyproline II helixtrans-79.8123.4-165.400000113.5
768T33Very low35.1Very low133 Ų133156.7 Ų156.782%0.81680%0.797SS**  trans-138.9132.3154.744.10000111.5
769R29.5Very low35.4Very low256 Ų256155.5 Ų155.597%0.96680%0.798SS**  trans-77.4109.4-171.6-174.8-178-172.1178.22.4109.8
770T34Very low35.8Very low128 Ų128157.6 Ų157.679%0.78579%0.793SS**  trans-122.7148.8171.250.10000112.8
771S36.5Very low36.1Very low91 Ų91152.9 Ų152.964%0.63679%0.791SS**  trans-77.6151.6-154.6178.90000114.3K773 D774S771-K773 PolarHBondContact O-N 2.86Å; S771-D774 PolarHBondContact O-N 2.81Å
772V46.2Very low36.2Very low126 Ų126152.2 Ų152.276%0.76479%0.788SS**G310 helixtrans-57.9-13.4-169.6174.60000115
773K42.1Very low36.2Very low187 Ų187150.5 Ų150.581%0.81379%0.788SS**G310 helixtrans-77.3-19.2179.4-81-173.3173.9-179.60115S771S771-K773 PolarHBondContact O-N 2.86Å
774D43.3Very low36.1Very low125 Ų125145 Ų14567%0.66878%0.779SS**G310 helixtrans-86-10.4178.2-65.8-36.6000113.3S771 Q776S771-D774 PolarHBondContact O-N 2.81Å; D774-Q776 VanDerWaalsContact C-N 3.29Å; D774-Q776 PolarHBondContact O-N 3.23Å
775R43.4Very low35.7Very low211 Ų211144.6 Ų144.680%0.79678%0.778SS**G310 helixtrans-72.9-16.5176.2-94.3-177.1148.1166.6-5114.5
776Q41.1Very low35.6Very low161 Ų161146 Ų14675%0.75278%0.78SS**G310 helixtrans-86.5-20-177.8-158.5140.9000113.6D774D774-Q776 VanDerWaalsContact C-N 3.29Å; D774-Q776 PolarHBondContact O-N 3.23Å
777K39.8Very low35.7Very low179 Ų179144.1 Ų144.178%0.77878%0.776SS**THydrogen-bonded Turntrans-88.9-12.5175.4-76.9-168.9175.2-1750114.6F779K777-F779 VanDerWaalsContact C-N 3.32Å
778L40Very low35.8Very low139 Ų139150.3 Ų150.373%0.72879%0.785SS**SBendtrans-81.5-11.7176.5-149.177.5000113.3
779F36.3Very low35.7Very low190 Ų190149.1 Ų149.183%0.83379%0.788SS**SBendtrans-91.9-11.2178.9-103.7-84.9000114.7K777K777-F779 VanDerWaalsContact C-N 3.32Å
780E39Very low35.8Very low170 Ų170143.4 Ų143.479%0.79478%0.781SS**SBendtrans-100.6-4.8-178.5-78.2179.5166.100115
781S38Very low35.5Very low99 Ų99140.3 Ų140.369%0.69278%0.775SS**SBendtrans-108.517.6-179.579.10000115.5
782K31.9Very low35.1Very low196 Ų196144.6 Ų144.685%0.85279%0.79SS**  trans-11820.3175.2-105.5-175.7-179.5-1770115.4G784K782-G784 PolarHBondContact O-N 3.5Å
783A29.2Very low34.3Very low104 Ų104143.1 Ų143.186%0.8679%0.791SS**  trans-80.758.5159.700000110.3
784G27.8Very low33.8Very low60 Ų60143.7 Ų143.762%0.61980%0.796SS**  trans-101.3101.217300000109.9K782K782-G784 PolarHBondContact O-N 3.5Å
785S28.7Very low33.2Very low116 Ų116142.4 Ų142.481%0.81180%0.803SS**  trans3792.6152.763.20000118
786L28.8Very low32.4Very low174 Ų174143.9 Ų143.991%0.91181%0.809SS**  trans-70.6131.2154.3-94.4127.7000109.3
787P33.2Very low32Very low115 Ų115144.9 Ų144.975%0.74782%0.818SS**  trans-74133.7-176.629.8-31.4000110.2A789P787-A789 PolarHBondContact O-N 3.49Å; P787-A789 VanDerWaalsContact O-N 3.11Å
788K30.2Very low31.6Very low196 Ų196140.8 Ų140.885%0.85282%0.818SS**  trans-53.6114.4171.6-75.2175.4173.4177.20109.3V790K788-V790 PolarHBondContact O-N 2.85Å
789A30.4Very low31.2Very low108 Ų108140.4 Ų140.489%0.89382%0.821SS**  trans-63.9101.8165.800000108.2P787P787-A789 PolarHBondContact O-N 3.49Å; P787-A789 VanDerWaalsContact O-N 3.11Å
790V31.2Very low31Very low136 Ų136140.8 Ų140.882%0.82483%0.826SS**  trans-84.1120.4173170.90000108K788K788-V790 PolarHBondContact O-N 2.85Å
791G28.1Very low30.6Very low63 Ų63142.5 Ų142.565%0.64983%0.831SS**  trans82.199.4138.800000117.3
792L28.3Very low30.2Very low182 Ų182148 Ų14895%0.95384%0.842SS**SBendtrans-163.956.2144.7-105.5164000110.4
793A28.8Very low30.3Very low94 Ų94143.6 Ų143.678%0.77784%0.842SS**SBendtrans-165.663.3167.200000111.1
794Q32Very low30.4Very low200 Ų200143.7 Ų143.794%0.93584%0.837SS**  trans-153.426.3172.2-117.5171.518.200115.8
795A30.1Very low30.6Very low98 Ų98146.3 Ų146.381%0.8184%0.841SS**  trans-121.969.3175.900000111.7
796R28.1Very low30.7Very low241 Ų241149.5 Ų149.591%0.90985%0.848SS**SBendtrans-159.919.4158.1-117.6173.7-168.9175.93.2116.9
797L31.5Very low30.7Very low182 Ų182149.7 Ų149.795%0.95384%0.844SS**  trans-124.768.7171.3-70170.8000109.9
798A32.4Very low30.7Very low94 Ų94149 Ų14978%0.77784%0.842SS**  trans-149.545.3172.800000112
799T31.9Very low30.7Very low130 Ų130146.5 Ų146.580%0.79884%0.838SS**SBendtrans-146.475.7165.351.40000109
800E31.9Very low30.8Very low198 Ų198153.5 Ų153.593%0.92584%0.842SS**  trans-173.659.8154.9-104.9166.9-155.100109.4
801K30.2Very low31Very low207 Ų207152.4 Ų152.490%0.984%0.84SS**  trans-106.291.4160-96.1-175175.6178.50107.2
802K30.4Very low31.1Very low213 Ų213157.5 Ų157.593%0.92685%0.852SS**  trans169.182150.2-96.8172.3-179.8-176.20109.8
803A32.5Very low31.3Very low104 Ų104153.2 Ų153.286%0.8684%0.843SS**  trans-143.2109.1148.900000106.8
804S32.6Very low31.3Very low106 Ų106158.6 Ų158.674%0.74185%0.849SS**  trans-67.5134.5-174.647.40000112.8
805T30.6Very low31.3Very low116 Ų116157.4 Ų157.471%0.71285%0.848SS**  4497128.4-14.80000117.2
806L32.1Very low31.3Very low183 Ų183158 Ų15896%0.95885%0.846SS**  trans-13272148-148.496.8000108.5
807E29.2Very low31.1Very low177 Ų177150.5 Ų150.583%0.82784%0.844SS**  trans-83129.1160.6-77.1-179145.400108.4
808S31.5Very low30.9Very low101 Ų101145.5 Ų145.571%0.70684%0.836SS**  171137.9128.1-173.30000111.6
809N30.8Very low30.6Very low144 Ų144147.1 Ų147.177%0.7784%0.842SS**  trans81.782.2161.2-60.2-26.3000119.5
810R31.8Very low30.4Very low255 Ų255146.1 Ų146.196%0.96284%0.84SS**  trans-129.992.6140.7-109.4179.3179.2173.10.1109.9
811S37Very low30.2Very low112 Ų112141.4 Ų141.478%0.78383%0.829SS**  trans-73134.4176.335.70000112A813S811-A813 PolarHBondContact O-N 3.24Å
812N29.9Very low29.9Very low171 Ų171137.6 Ų137.691%0.91483%0.827SS**  trans-49.8119.9170.8-78.6-37.6000112.6
813A32.1Very low29.8Very low92 Ų92135.8 Ų135.876%0.7682%0.822SS**  trans-110.2103.3162.400000108.9S811 L815S811-A813 PolarHBondContact O-N 3.24Å; A813-L815 PolarHBondContact O-N 3.48Å
814K28.9Very low29.6Very low207 Ų207134.2 Ų134.290%0.982%0.816SS**  trans-79.6108.1176.8-162.8168.2-174.7175.50107.8S816K814-S816 PolarHBondContact O-N 3.2Å
815L31.4Very low29.3Very low174 Ų174134.8 Ų134.891%0.91182%0.819SS**  trans-77101.4178.5-84147.4000110.1A813A813-L815 PolarHBondContact O-N 3.48Å
816S31Very low29.2Very low111 Ų111137.5 Ų137.578%0.77683%0.828SS**  trans-80.3139.5166.949.50000110.9K814K814-S816 PolarHBondContact O-N 3.2Å
817G24.2Very low29Very low84 Ų84138.5 Ų138.587%0.86683%0.825SS**  trans-63.4150-17700000115.2
818G26.7Very low28.7Very low76 Ų76141.2 Ų141.278%0.78483%0.828SS**  trans-14593.9165.800000108.2S820G818-S820 PolarHBondContact O-N 3.22Å
819S25.6Very low28.5Very low129 Ų129141.6 Ų141.690%0.90283%0.831SS**  trans-78.7101.2170.955.50000109.2
820S29.1Very low28.3Very low109 Ų109145.9 Ų145.976%0.76284%0.836SS**  trans-102.1100.6167.356.70000109.4G818 C822G818-S820 PolarHBondContact O-N 3.22Å; S820-C822 PolarHBondContact O-N 3.31Å
821S25.8Very low28.2Very low98 Ų98139 Ų13969%0.68583%0.827SS**  trans-66117.7168.6173.80000110
822C25.5Very low27.8Very low127 Ų127138.8 Ų138.886%0.85883%0.832SS**  trans-11793.6165.7-800000108.5S820 G824S820-C822 PolarHBondContact O-N 3.31Å; C822-G824 PolarHBondContact O-N 3.24Å
823H27.5Very low27.9Very low176 Ų176135.3 Ų135.382%0.81583%0.827SS**  trans-70.598.6169.6-98.6-88.3000110.2
824G28.6Very low27.7Very low71 Ų71134.9 Ų134.973%0.73283%0.832SS**  trans-91.493.316600000111C822 L826C822-G824 PolarHBondContact O-N 3.24Å; G824-L826 PolarHBondContact O-N 3.43Å
825S25.8Very low27.8Very low117 Ų117130.4 Ų130.482%0.81883%0.826SS**  trans-68.1107.4169.6-92.40000110.7
826L28.9Very low27.8Very low173 Ų173131.5 Ų131.591%0.90683%0.827SS**  trans-109.7111.1167.7-91.3156.8000110.3G824G824-L826 PolarHBondContact O-N 3.43Å
827K27.5Very low27.8Very low205 Ų205137.7 Ų137.789%0.89183%0.833SS**  trans-61.3131.7-178.5-80.2174.5174.3174.60111.4S829K827-S829 PolarHBondContact O-N 2.98Å
828R22.7Very low28.1Very low234 Ų234144.9 Ų144.988%0.88383%0.834SS**  trans-69106.4174.8-157.8176.5-169.4-167.34.4110
829S28.7Very low28.5Very low109 Ų109146.8 Ų146.876%0.76283%0.833SS**  trans-95.2115.3163.647.10000109.1K827K827-S829 PolarHBondContact O-N 2.98Å
830R26Very low28.9Very low234 Ų234150 Ų15088%0.88383%0.833SS**  trans-74.6117.8170.3-78.5172.6163.8175.3-5.4108.2
831S30.1Very low29.2Very low110 Ų110153.9 Ų153.977%0.76984%0.84SS**  trans-123.7102.4159.929.30000108A833S831-A833 PolarHBondContact O-N 3.14Å
832A28.4Very low29.6Very low108 Ų108153.4 Ų153.489%0.89384%0.842SS**  trans-71.8108.6171.600000108.6
833A31.2Very low30.2Very low97 Ų97152.9 Ų152.980%0.80284%0.837SS**  trans-118.595.5163.300000107.2S831 S835S831-A833 PolarHBondContact O-N 3.14Å; A833-S835 PolarHBondContact O-N 2.96Å
834G28.2Very low30.7Very low84 Ų84150.2 Ų150.287%0.86684%0.835SS**  trans-67119.7172.900000109.8
835S31.1Very low31Very low112 Ų112152.2 Ų152.278%0.78384%0.835SS**  trans-111.6106.8161.7-172.90000107.3A833 R837A833-S835 PolarHBondContact O-N 2.96Å; S835-R837 PolarHBondContact O-N 3.05Å; S835-R837 VanDerWaalsContact O-N 3.11Å
836Q32Very low31.4Very low197 Ų197152.1 Ų152.192%0.92183%0.832SS**  trans-61.3104.1178.4-70.5172.5-23.800109.7
837R31.3Very low31.7Very low241 Ų241150 Ų15091%0.90983%0.828SS**PPolyproline II helixtrans-83.4119.2163.2-85.1-174.2179.5-173.20.5109.3S835S835-R837 PolarHBondContact O-N 3.05Å; S835-R837 VanDerWaalsContact O-N 3.11Å
838R30.3Very low31.9Very low235 Ų235149.9 Ų149.989%0.88783%0.828SS**PPolyproline II helixtrans-55.6134.3176.1-156.3175.1-167.8-164.13110.4Q840R838-Q840 PolarHBondContact O-N 2.9Å
839P35.4Very low32.3Very low117 Ų117147.2 Ų147.276%0.7683%0.83SS**PPolyproline II helixtrans-71.5126-172.327.3-32.8000111.2Q841P839-Q841 PolarHBondContact O-N 3.48Å
840Q33.9Very low32.5Very low195 Ų195151.5 Ų151.591%0.91184%0.835SS**PPolyproline II helixtrans-65.1119.5168.4-75.1175.7-13.500108.5R838 A842R838-Q840 PolarHBondContact O-N 2.9Å; Q840-A842 PolarHBondContact O-N 3.26Å
841Q34.3Very low33Very low192 Ų192150 Ų15090%0.89784%0.835SS**PPolyproline II helixtrans-56.8119.3171.6-92.5166.3-41.500109.4P839P839-Q841 PolarHBondContact O-N 3.48Å
842A35.1Very low33.4Very low88 Ų88149.6 Ų149.673%0.72784%0.838SS**PPolyproline II helixtrans-61.1137.3168.100000109.3Q840Q840-A842 PolarHBondContact O-N 3.26Å
843P37.7Very low34.1Very low116 Ų116149.9 Ų149.975%0.75382%0.824SS**PPolyproline II helixtrans-60.8144.7-178.824.2-32.7000111
844P36.6Very low35Very low119 Ų119148.2 Ų148.277%0.77381%0.806SS**PPolyproline II helixtrans-63.6141.1-174.625.5-32.9000111.1
845P35.3Very low36Very low114 Ų114149.7 Ų149.774%0.7480%0.801SS**PPolyproline II helixtrans-66149.4-179.426.9-33.2000111.2
846P35.5Very low37.2Very low115 Ų115152.7 Ų152.775%0.74780%0.8SS**PPolyproline II helixtrans-60145.9-173.523.3-33.1000112.1K848P846-K848 PolarHBondContact O-N 2.66Å
847P34Very low38.5Very low129 Ų129146.5 Ų146.584%0.83878%0.775SS**PPolyproline II helixtrans-65.3128.5-174.425.5-31.8000110.8L849P847-L849 PolarHBondContact O-N 3.39Å
848K31.6Very low39.8Very low201 Ų201139 Ų13987%0.87475%0.753SS**PPolyproline II helixtrans-59.1131.3178.3-66.9-178.2177.6-179.80110.4P846 K850P846-K848 PolarHBondContact O-N 2.66Å; K848-K850 PolarHBondContact O-N 3.07Å
849L31.1Very low41.3Very low178 Ų178136.8 Ų136.893%0.93275%0.75SS**  trans-42.9110.2175.5-111.886.6000110.7P847P847-L849 PolarHBondContact O-N 3.39Å
850K34.4Very low43Very low200 Ų200138.2 Ų138.287%0.8775%0.751SS**  trans-75.3128166.4-75.7-174.7177.6-179.70107.7K848 A852K848-K850 PolarHBondContact O-N 3.07Å; K850-A852 PolarHBondContact O-N 3.24Å
851K36.8Very low44.8Very low201 Ų201132 Ų13287%0.87472%0.723SS**  trans-36.9131.2-178.1-84.4175.1170.3177.30112.6L853K851-L853 PolarHBondContact O-N 3.07Å
852A37.8Very low46.5Very low103 Ų103126 Ų12685%0.85170%0.702SS**PPolyproline II helixtrans-49.2119.6176.800000111.5K850K850-A852 PolarHBondContact O-N 3.24Å
853L42Very low48Very low114 Ų114131.9 Ų131.960%0.59771%0.706SS**PPolyproline II helixtrans-71.7133.9170.8-82.4150.1000109K851K851-L853 PolarHBondContact O-N 3.07Å
854S51.6Low49.6Very low61 Ų61133.4 Ų133.443%0.42770%0.703SS.*PPolyproline II helixtrans-66.1148.3-17484.20000111.7K856 T857S854-K856 PolarHBondContact O-N 3.35Å; S854-T857 PolarHBondContact O-N 3.3Å; S854-T857 PolarHBondContact O-OG1 2.8Å; S854-T857 PolarHBondContact OG-OG1 3.4Å
855P47.8Very low51.6Low116 Ų116132.9 Ų132.975%0.75369%0.69SS**Hα-helixtrans-56.2-24.7-176.6-26.333.6000115.1
856K56.3Low53.2Low175 Ų175128.5 Ų128.576%0.76166%0.663SS**Hα-helixtrans-65.8-38.1178.7-76.1-174.8175.8-1790112S854 L858 K859S854-K856 PolarHBondContact O-N 3.35Å; K856-L858 VanDerWaalsContact C-N 3.35Å; K856-L858 PolarHBondContact O-N 3.27Å; K856-K859 PolarHBondContact O-N 3.32Å
857T60.8Low54.5Low66 Ų66128.3 Ų128.341%0.40566%0.655SS.*Hα-helixtrans-74-27.2-176-26.60000112.4S854 K859 M861S854-T857 PolarHBondContact O-N 3.3Å; S854-T857 PolarHBondContact O-OG1 2.8Å; S854-T857 PolarHBondContact OG-OG1 3.4Å; T857-K859 VanDerWaalsContact C-N 3.29Å; T857-K859 PolarHBondContact O-N 2.81Å; T857-M861 WeakPolarHBondContact O-CG 3.22Å
858L57.4Low56.2Low85 Ų85132.4 Ų132.445%0.44565%0.654SS.*Hα-helixtrans-71.3-24177.6-115.2110.8000113.2K856 D860K856-L858 VanDerWaalsContact C-N 3.35Å; K856-L858 PolarHBondContact O-N 3.27Å; L858-D860 VanDerWaalsContact C-N 3.31Å
859K62.3Low58Low187 Ų187126.7 Ų126.781%0.81364%0.636SS**Hα-helixtrans-75-24.3-174.4-141.8177.9-175-177.20112.9K856 T857K856-K859 PolarHBondContact O-N 3.32Å; T857-K859 VanDerWaalsContact C-N 3.29Å; T857-K859 PolarHBondContact O-N 2.81Å
860D70.6Confident59.2Low147 Ų147122.4 Ų122.479%0.78661%0.614SS**THydrogen-bonded Turntrans-100.81.6-175.1-58.9-28.6000113L858L858-D860 VanDerWaalsContact C-N 3.31Å
861M71.7Confident60.3Low64 Ų64114.7 Ų114.732%0.31559%0.591SS.*SBendtrans-96.3138.5-178.5-69.4178.672.800112.1T857 E865T857-M861 WeakPolarHBondContact O-CG 3.22Å; M861-E865 HydrophobicContact CE-CB 4.05Å; M861-E865 HydrophobicContact CE-CG 3.7Å
862S71Confident60.6Low66 Ų66111.6 Ų111.646%0.46259%0.591SS.*  trans-64150.2171.8760000111E864 E865 A866S862-E864 PolarHBondContact O-N 3.26Å; S862-E865 PolarHBondContact O-N 2.86Å; S862-A866 PolarHBondContact O-N 2.87Å
863R66.7Low60.9Low213 Ų213111 Ų11180%0.80459%0.587SS**Hα-helixtrans-56.1-36.5-176.3-179.6175.1168.9153.7-2.5113L867R863-L867 HydrophobicContact CG-CD1 4.22Å; R863-L867 WeakPolarHBondContact O-CD1 3.38Å; R863-L867 VanDerWaalsContact O-CG 3.32Å; R863-L867 WeakPolarHBondContact O-CG 3.32Å; R863-L867 PolarHBondContact O-N 2.78Å
864E71Confident60.7Low148 Ų148106.7 Ų106.769%0.69257%0.57SS**Hα-helixtrans-69.3-35.5177.3-76.1178.3144.200112.4S862 L867 R868S862-E864 PolarHBondContact O-N 3.26Å; E864-L867 PolarHBondContact O-N 3.35Å; E864-R868 PolarHBondContact O-N 3.42Å; E864-R868 VanDerWaalsContact O-N 3.07Å
865E77.8Confident60.1Low108 Ų108112.8 Ų112.851%0.50559%0.588SS.*Hα-helixtrans-74.2-37.8179.4-154.2158.1-174.800111.8M861 S862 L867 R868 T869M861-E865 HydrophobicContact CE-CB 4.05Å; M861-E865 HydrophobicContact CE-CG 3.7Å; S862-E865 PolarHBondContact O-N 2.86Å; E865-L867 VanDerWaalsContact C-N 3.34Å; E865-L867 PolarHBondContact O-N 2.84Å; E865-R868 PolarHBondContact O-N 3.25Å; E865-T869 WeakPolarHBondContact O-CB 3.31Å; E865-T869 PolarHBondContact O-N 2.89Å; E865-T869 PolarHBondContact O-OG1 2.85Å
866A68.9Low59.8Low21 Ų21116.2 Ų116.217%0.17459%0.594CS.*Hα-helixtrans-60.4-42.4171.500000112S862 T869 L870S862-A866 PolarHBondContact O-N 2.87Å; A866-T869 PolarHBondContact O-N 3.49Å; A866-L870 WeakPolarHBondContact O-CG 3.41Å; A866-L870 PolarHBondContact O-N 3.17Å; A866-L870 VanDerWaalsContact O-N 3.11Å
867L63.8Low58.7Low111 Ų111112.7 Ų112.758%0.58159%0.591SS**Hα-helixtrans-68.1-37.7178.9-75.4168.1000112.9R863 E864 E865 T869R863-L867 HydrophobicContact CG-CD1 4.22Å; R863-L867 WeakPolarHBondContact O-CD1 3.38Å; R863-L867 VanDerWaalsContact O-CG 3.32Å; R863-L867 WeakPolarHBondContact O-CG 3.32Å; R863-L867 PolarHBondContact O-N 2.78Å; E864-L867 PolarHBondContact O-N 3.35Å; E865-L867 VanDerWaalsContact C-N 3.34Å; E865-L867 PolarHBondContact O-N 2.84Å; L867-T869 VanDerWaalsContact C-N 3.33Å
868R68Low57.3Low216 Ų216118 Ų11882%0.81561%0.614SS**Hα-helixtrans-65.4-36.7173.3-80.8-176.3179.1145.83112.5E864 E865E864-R868 PolarHBondContact O-N 3.42Å; E864-R868 VanDerWaalsContact O-N 3.07Å; E865-R868 PolarHBondContact O-N 3.25Å
869T69.9Low56Low81 Ų81117 Ų11750%0.49763%0.625SS.*Hα-helixtrans-78-34.3-173.9-450000112.5E865 A866 L867E865-T869 WeakPolarHBondContact O-CB 3.31Å; E865-T869 PolarHBondContact O-N 2.89Å; E865-T869 PolarHBondContact O-OG1 2.85Å; A866-T869 PolarHBondContact O-N 3.49Å; L867-T869 VanDerWaalsContact C-N 3.33Å
870L57.2Low54.4Low88 Ų88114.1 Ų114.146%0.46162%0.622SS.*Hα-helixtrans-91.7-15.7-172.1-69.4170.1000114.8A866A866-L870 WeakPolarHBondContact O-CG 3.41Å; A866-L870 PolarHBondContact O-N 3.17Å; A866-L870 VanDerWaalsContact O-N 3.11Å
871G57Low52.3Low38 Ų38113.2 Ų113.239%0.39262%0.622SS.*  trans59.8-171.817800000113.9A873 G874G871-A873 PolarHBondContact O-N 3.31Å; G871-A873 VanDerWaalsContact O-N 3.07Å; G871-G874 PolarHBondContact O-N 3.32Å; G871-G874 VanDerWaalsContact O-N 3.16Å
872P43.9Very low50.2Low135 Ų135115.4 Ų115.488%0.87764%0.639SS**G310 helixtrans-62.8-22.3-166.5-22.432.3000115.3G874P872-G874 VanDerWaalsContact C-N 3.34Å
873A43.1Very low48Very low92 Ų92122.8 Ų122.876%0.7666%0.659SS**G310 helixtrans-81.4-7.7-178.500000114G871 K875G871-A873 PolarHBondContact O-N 3.31Å; G871-A873 VanDerWaalsContact O-N 3.07Å; A873-K875 VanDerWaalsContact C-N 3.27Å; A873-K875 PolarHBondContact O-N 3.21Å
874G39Very low46.1Very low23 Ų23120 Ų12024%0.23766%0.659CS.*G310 helixtrans-76.4-1.8-178.100000116G871 P872G871-G874 PolarHBondContact O-N 3.32Å; G871-G874 VanDerWaalsContact O-N 3.16Å; P872-G874 VanDerWaalsContact C-N 3.34Å
875K38.8Very low43.9Very low188 Ų188124.7 Ų124.782%0.81767%0.671SS**G310 helixtrans-75.6-18.9-177.8-82-173.2176.5-1790114.4A873A873-K875 VanDerWaalsContact C-N 3.27Å; A873-K875 PolarHBondContact O-N 3.21Å
876E40Very low41.5Very low188 Ų188123.6 Ų123.688%0.87968%0.681SS**SBendtrans-91.3-14.3-176.4-75.3-177.2160.700114.6
877S35Very low39.4Very low101 Ų101126.1 Ų126.171%0.70671%0.708SS**SBendtrans-94.66.5-176.770.90000115.3G879S877-G879 PolarHBondContact O-N 3.48Å
878M29.4Very low37.5Very low178 Ų178127 Ų12788%0.87772%0.723SS**  trans-87.457.2162.7-82.7-171.8143.400109.8V880M878-V880 PolarHBondContact O-N 3.47Å
879G31Very low35.6Very low65 Ų65121.9 Ų121.967%0.6772%0.72SS**  trans-65.7111.2166.700000108.8S877 T881S877-G879 PolarHBondContact O-N 3.48Å; G879-T881 PolarHBondContact O-N 3.44Å
880V28.3Very low33.6Very low126 Ų126122.9 Ų122.976%0.76474%0.736SS**  trans-49.7116.5172.5174.20000108.8M878 T882M878-V880 PolarHBondContact O-N 3.47Å; V880-T882 PolarHBondContact O-N 3.04Å
881T27.1Very low32.1Very low127 Ų127123.3 Ų123.378%0.77975%0.747SS**  trans-54.799.7165.98.60000108.6G879 Y883G879-T881 PolarHBondContact O-N 3.44Å; T881-Y883 PolarHBondContact O-N 3.34Å
882T26.6Very low30.7Very low111 Ų111130.2 Ų130.268%0.68177%0.769SS**  trans-68.4115.6169.245.10000107.7V880 D884V880-T882 PolarHBondContact O-N 3.04Å; T882-D884 PolarHBondContact O-N 3.38Å; T882-D884 VanDerWaalsContact O-N 3.1Å
883Y25.5Very low30Very low221 Ų221130.1 Ų130.187%0.86776%0.761SS**  trans-65.2109163.3-83.1-91.9000107.2T881 R885T881-Y883 PolarHBondContact O-N 3.34Å; Y883-R885 PolarHBondContact O-N 3.39Å
884D26.6Very low29.3Very low153 Ų153132.5 Ų132.582%0.81876%0.761SS**  trans-55.6101.7167.6-77.6-36.5000108.3T882 A886T882-D884 PolarHBondContact O-N 3.38Å; T882-D884 VanDerWaalsContact O-N 3.1Å; D884-A886 VanDerWaalsContact C-N 3.3Å; D884-A886 PolarHBondContact O-N 3.25Å
885R24.8Very low28.7Very low247 Ų247140 Ų14093%0.93279%0.794SS**  trans-72.793.7170.3-165.2173.1-171.2160.70.4106Y883 G887Y883-R885 PolarHBondContact O-N 3.39Å; R885-G887 PolarHBondContact O-N 3.37Å; R885-G887 VanDerWaalsContact O-N 3.1Å
886A27.5Very low28.2Very low86 Ų86134.4 Ų134.471%0.71179%0.791SS**  trans-45.1117.8172.300000109.3D884 C888D884-A886 VanDerWaalsContact C-N 3.3Å; D884-A886 PolarHBondContact O-N 3.25Å; A886-C888 PolarHBondContact O-N 3.23Å
887G25.2Very low27.7Very low73 Ų73132 Ų13275%0.75379%0.794SS**  trans-60.1117.2176.300000109.6R885 S889R885-G887 PolarHBondContact O-N 3.37Å; R885-G887 VanDerWaalsContact O-N 3.1Å; G887-S889 VanDerWaalsContact C-N 3.35Å; G887-S889 PolarHBondContact O-N 3.49Å
888C24.1Very low27.4Very low131 Ų131130.5 Ų130.589%0.88580%0.795SS**  trans-71.696.8164.9-72.20000107.7A886 A890A886-C888 PolarHBondContact O-N 3.23Å; C888-A890 PolarHBondContact O-N 3.43Å
889S28Very low27.5Very low107 Ų107133.7 Ų133.775%0.74880%0.797SS**  trans-56.9120.1163.451.30000109G887 S891G887-S889 VanDerWaalsContact C-N 3.35Å; G887-S889 PolarHBondContact O-N 3.49Å; S889-S891 PolarHBondContact O-N 3.32Å
890A26.8Very low27.6Very low103 Ų103135.3 Ų135.385%0.85180%0.804SS**  trans-61.897.1171.900000109.4C888C888-A890 PolarHBondContact O-N 3.43Å
891S27.1Very low27.9Very low97 Ų97136.7 Ų136.768%0.67881%0.813SS**  trans-88.6102.4164.3172.70000107.2S889 N893S889-S891 PolarHBondContact O-N 3.32Å; S891-N893 PolarHBondContact O-N 3.2Å
892E27.3Very low28.1Very low183 Ų183134.3 Ų134.386%0.85581%0.813SS**  trans-52.4118.5157.3-68.5175.4129.500108.2
893N28.8Very low28.6Very low133 Ų133131.8 Ų131.871%0.71181%0.809SS**  trans-164.6110.6153.3-98.1-36.1000111.6S891S891-N893 PolarHBondContact O-N 3.2Å
894N27.8Very low29.3Very low141 Ų141129.8 Ų129.875%0.75481%0.805SS**  trans57.3120140.1-75.7-52.7000120.9G896N894-G896 PolarHBondContact O-N 3.27Å
895L26.9Very low30Very low180 Ų180130 Ų13094%0.94280%0.804SS**  trans-34.6114.7158.9-82.273.6000112.5
896G29.5Very low30.8Very low72 Ų72122.2 Ų122.274%0.74279%0.793SS**  trans-125.2101.8164.400000109.6N894 G898N894-G896 PolarHBondContact O-N 3.27Å; G896-G898 PolarHBondContact O-N 3.11Å
897S29.6Very low31.7Very low137 Ų137125.5 Ų125.596%0.95879%0.794SS**  trans-51.8129167.6-179.80000110.8
898G28.2Very low32.6Very low70 Ų70128.4 Ų128.472%0.72279%0.792SS**  trans-172.772.1-174.200000116.2G896G896-G898 PolarHBondContact O-N 3.11Å
899R31.1Very low33.5Very low245 Ų245125.9 Ų125.993%0.92578%0.78SS**  trans59.8107.5147.6-111.4171-179.2160.3-0.1119.4V901R899-V901 PolarHBondContact O-N 3.33Å
900A33.4Very low34.3Very low99 Ų99124.7 Ų124.782%0.81878%0.777SS**  trans-50.1118.2164.500000113.4G902A900-G902 VanDerWaalsContact C-N 3.31Å; A900-G902 PolarHBondContact O-N 3.37Å
901V34.8Very low35.2Very low155 Ų155128.3 Ų128.394%0.93977%0.773SS**  trans-95.567.3160.2-175.20000107.3R899R899-V901 PolarHBondContact O-N 3.33Å
902G30.8Very low35.9Very low76 Ų76132.5 Ų132.578%0.78478%0.78SS**  trans-114.781.2174.400000109.3A900A900-G902 VanDerWaalsContact C-N 3.31Å; A900-G902 PolarHBondContact O-N 3.37Å
903G37.8Very low36.5Very low58 Ų58129 Ų12960%0.59878%0.775SS**  trans-152.82.7-172.700000118.2
904K39.4Very low36.9Very low180 Ų180125.4 Ų125.478%0.78377%0.77SS**SBendtrans-128-5.8180-93.2-175.9176-179.20117.2
905I41.3Very low37.5Very low156 Ų156128.9 Ų128.980%0.880%0.795SS**SBendtrans-94.6-25.5177.3-61.4178.6000111.8Q907I905-Q907 PolarHBondContact O-N 3.38Å
906A42.4Very low38Very low85 Ų85126.4 Ų126.470%0.70279%0.788SS**Hα-helixtrans-74.3-19.1177.800000114.6
907Q44.7Very low38.4Very low155 Ų155129.2 Ų129.272%0.72479%0.791SS**Hα-helixtrans-82.2-13.1178.2-89.7-177-7.900114.4I905I905-Q907 PolarHBondContact O-N 3.38Å
908L44.1Very low38.9Very low134 Ų134128.8 Ų128.870%0.70278%0.781SS**Hα-helixtrans-86.6-23.9176.5-86.8156.2000112.9
909A43Very low39.6Very low78 Ų78132.2 Ų132.265%0.64579%0.785SS**Hα-helixtrans-79.6-20.4179.300000114.1
910A46.7Very low40.1Very low82 Ų82125.2 Ų125.268%0.67878%0.776SS**THydrogen-bonded Turntrans-88.5-0-17900000114.7
911K44.6Very low40.5Very low178 Ų178126.9 Ų126.977%0.77477%0.773SS**THydrogen-bonded Turntrans-98.51.2-179.4-103.2-174.6178.4-175.60115.4
912F40.8Very low40.9Very low186 Ų186124.9 Ų124.982%0.81676%0.761SS**SBendtrans-122.836.3178-78.3-77.1000112.9
913S41.5Very low41.7Very low110 Ų110128.7 Ų128.777%0.76976%0.76SS**SBendtrans-122.929.4171.3-47.60000112.4
914G35.8Very low42Very low57 Ų57134.6 Ų134.659%0.58877%0.773SS**  trans-143.6128.1168.800000108.7
915V40.2Very low42.3Very low214 Ų214130.5 Ų130.5100%1.29777%0.772SS**  trans81.60-152.5-165.50000111.5

Retrieved 915 of 915 residues in 1056.1 ms (Link to these results)

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