A0A087XXF8_POEFO Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB , UniProt , Accession A0A087XXF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 396 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
1M37.2Very low43.9Very low246 Ų246153.7 Ų153.7100%1.21283%0.826SS**  0118.80-62.4-171.2-127.100106.2
2M31.5Very low44.3Very low181 Ų181148.3 Ų148.389%0.89281%0.809SS**  cis-126.4130.44.6-68.2172.9-172.300108.5
3N42.2Very low45.1Very low179 Ų179144.2 Ų144.296%0.95779%0.785SS**  trans-76.4121.6149.3-80.3-14.8000105.6
4G43.8Very low46.2Very low64 Ų64137.7 Ų137.766%0.6675%0.748SS**  trans159.681.617300000114
5E37.7Very low47.5Very low201 Ų201136.6 Ų136.694%0.93974%0.736SS**  -154.979.5126.6-104.9176.7-16100107.2
6I54.5Low48.7Very low160 Ų160140.1 Ų140.182%0.82175%0.746SS**  trans-97.2113.6157.3-62.4171.4000104.2
7N46.8Very low50.8Low162 Ų162140.2 Ų140.287%0.86675%0.747SS**  trans-171.8109.6159.3-83.1-31.2000105.4
8G48.6Very low53.2Low67 Ų67133.3 Ų133.369%0.69171%0.712SS**  94.3115.461.100000108.1H10G8-H10 PolarHBondContact O-N 2.68Å
9F43.6Very low55.5Low158 Ų158129.4 Ų129.469%0.69369%0.688SS**  trans-9.4104.3178.4-120.8-99.5000115.6N11 L20F9-N11 PolarHBondContact O-N 2.61Å; F9-L20 HydrophobicContact CE1-CD1 4.06Å; F9-L20 HydrophobicContact CZ-CD1 3.95Å
10H47.9Very low57.6Low148 Ų148124.7 Ų124.769%0.68566%0.662SS**  trans-80.696.3168.8-107.5-13.2000109.3G8 S12G8-H10 PolarHBondContact O-N 2.68Å; H10-S12 PolarHBondContact O-N 2.63Å; H10-S12 VanDerWaalsContact O-N 3.13Å
11N49.6Very low59.6Low125 Ų125121.1 Ų121.167%0.66864%0.642SS**G310 helixtrans-65.4-5.1174-88.4-4.5000113.9F9 L13F9-N11 PolarHBondContact O-N 2.61Å; N11-L13 PolarHBondContact O-N 3.3Å
12S48Very low62.5Low89 Ų89112.1 Ų112.162%0.62260%0.6SS**G310 helixtrans-76.30.5-168.554.30000115.3H10H10-S12 PolarHBondContact O-N 2.63Å; H10-S12 VanDerWaalsContact O-N 3.13Å
13L54.3Low65.7Low95 Ų95103.6 Ų103.650%0.49756%0.558SS.*G310 helixtrans-132.14.8-171.9-65.6172.2000115.1N11 E15N11-L13 PolarHBondContact O-N 3.3Å; L13-E15 PolarHBondContact O-N 3.11Å
14I60.8Low68.4Low53 Ų5398.7 Ų98.727%0.27253%0.53SS..  trans-88.3107.5175.1-55.5-179.9000107.5C18 L20I14-C18 HydrophobicContact CG2-CB 3.56Å; I14-C18 WeakPolarHBondContact CG2-O 3.13Å; I14-L20 HydrophobicContact CD1-CD1 4.17Å; I14-L20 HydrophobicContact CD1-CG 3.94Å
15E65.4Low71Confident121 Ų12195.6 Ų95.657%0.56550%0.498SS*.  trans-52.1150.9171-66.3-179163.600110.7L13 D17 C18L13-E15 PolarHBondContact O-N 3.11Å; E15-D17 PolarHBondContact O-N 2.94Å; E15-C18 WeakPolarHBondContact O-CB 2.82Å; E15-C18 PolarHBondContact O-N 3.49Å
16E67.6Low74Confident192 Ų19286.1 Ų86.190%0.89745%0.454SS*.THydrogen-bonded Turntrans-50.2134.6169.5-72.5-17816000109.2C18E16-C18 PolarHBondContact O-N 3.4Å
17D83.6Confident76.1Confident142 Ų14278.5 Ų78.576%0.75942%0.415SS*.THydrogen-bonded Turntrans71.99.6-174.8-52.6-37000118E15E15-D17 PolarHBondContact O-N 2.94Å
18C94.1Very high78.5Confident17 Ų1771.8 Ų71.812%0.11538%0.379CS..EExtended strand (participates in β ladder)trans-98.6156.2170.4-70.70000113.4I14 E15 E16 Q188 Y189I14-C18 HydrophobicContact CG2-CB 3.56Å; I14-C18 WeakPolarHBondContact CG2-O 3.13Å; E15-C18 WeakPolarHBondContact O-CB 2.82Å; E15-C18 PolarHBondContact O-N 3.49Å; E16-C18 PolarHBondContact O-N 3.4Å; C18-Q188 HydrophobicContact CB-CG 4.13Å; C18-Y189 CarbonylContact C-O 3.46Å; C18-Y189 VanDerWaalsContact CA-O 3.23Å; C18-Y189 WeakPolarHBondContact CA-O 3.36Å
19F96.7Very high80.9Confident59 Ų5968.6 Ų68.626%0.25935%0.346SS..EExtended strand (participates in β ladder)trans-146.1163.3171.569.4-81.8000111.5F21 Q188 Y189 M196 W275F19-F21 HydrophobicContact CE2-CB 4.14Å; F19-F21 HydrophobicContact CE2-CD2 4.39Å; F19-Q188 WeakPolarHBondContact O-CA 3.47Å; F19-Y189 HydrophobicContact CE2-CD2 4.35Å; F19-Y189 HydrophobicContact CE2-CG 4.41Å; F19-Y189 HydrophobicContact CZ-CD2 4.41Å; F19-Y189 HydrophobicContact CZ-CG 4.02Å; F19-Y189 PolarHBondContact N-O 2.99Å; F19-Y189 PolarHBondContact O-N 2.95Å; F19-M196 HydrophobicContact CE1-CE 4.49Å; F19-M196 HydrophobicContact CE1-SD 3.96Å; F19-M196 HydrophobicContact CZ-CE 4.5Å; F19-M196 HydrophobicContact CZ-SD 3.43Å; F19-M196 WeakPolarHBondContact CZ-SD 3.43Å; F19-W275 AromaticContact CE2-CH2 3.79Å; F19-W275 HydrophobicContact CE2-CH2 3.79Å; F19-W275 AromaticContact CZ-CH2 3.87Å; F19-W275 HydrophobicContact CZ-CH2 3.87Å
20L98.3Very high83.6Confident34 Ų3461.2 Ų61.218%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-102.6138.6176.2-59.5-176.8000110.6F9 I14 T186 V187 Q188 H202F9-L20 HydrophobicContact CE1-CD1 4.06Å; F9-L20 HydrophobicContact CZ-CD1 3.95Å; I14-L20 HydrophobicContact CD1-CD1 4.17Å; I14-L20 HydrophobicContact CD1-CG 3.94Å; L20-T186 HydrophobicContact CB-CG2 3.97Å; L20-T186 HydrophobicContact CD1-CG2 4.36Å; L20-T186 HydrophobicContact CD2-CG2 4.46Å; L20-T186 HydrophobicContact CG-CG2 4.5Å; L20-V187 WeakPolarHBondContact CA-O 3.36Å; L20-Q188 HydrophobicContact CD2-CB 3.76Å; L20-Q188 HydrophobicContact CD2-CG 4.18Å; L20-H202 HydrophobicContact CD2-CB 3.88Å
21F98.8Very high86Confident51 Ų5154.2 Ų54.222%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-132.4142.7170-156.6-81.4000110.7F19 T154 T186 V187 Y189 W275F19-F21 HydrophobicContact CE2-CB 4.14Å; F19-F21 HydrophobicContact CE2-CD2 4.39Å; F21-T154 WeakPolarHBondContact O-CG2 3.49Å; F21-T186 CarbonylContact O-C 3.53Å; F21-T186 VanDerWaalsContact O-CA 3.29Å; F21-T186 WeakPolarHBondContact O-CA 3.21Å; F21-V187 PolarHBondContact N-O 3.4Å; F21-V187 PolarHBondContact O-N 3.35Å; F21-Y189 HydrophobicContact CB-CD2 4.06Å; F21-Y189 HydrophobicContact CB-CE2 4.02Å; F21-W275 HydrophobicContact CB-CH2 4.08Å; F21-W275 HydrophobicContact CB-CZ2 3.45Å; F21-W275 VanDerWaalsContact CB-CZ2 3.45Å; F21-W275 AromaticContact CD1-CD1 3.74Å; F21-W275 HydrophobicContact CD1-CD2 4.05Å; F21-W275 AromaticContact CD1-CE2 3.27Å; F21-W275 HydrophobicContact CD1-CG 4.33Å; F21-W275 AromaticContact CD1-CZ2 3.6Å; F21-W275 HydrophobicContact CD1-CZ2 3.6Å; F21-W275 AromaticContact CD1-NE1 3.06Å; F21-W275 HydrophobicContact CD2-CD2 4.26Å; F21-W275 AromaticContact CD2-CE2 3.85Å; F21-W275 HydrophobicContact CD2-CE3 4.39Å; F21-W275 AromaticContact CD2-CH2 3.79Å; F21-W275 HydrophobicContact CD2-CH2 3.79Å; F21-W275 AromaticContact CD2-CZ2 3.63Å; F21-W275 HydrophobicContact CD2-CZ2 3.63Å; F21-W275 HydrophobicContact CD2-CZ3 4.16Å; F21-W275 AromaticContact CE1-CD1 3.38Å; F21-W275 AromaticContact CE1-CD2 3.84Å; F21-W275 HydrophobicContact CE1-CD2 3.84Å; F21-W275 AromaticContact CE1-CE2 3.54Å; F21-W275 AromaticContact CE1-CG 3.8Å; F21-W275 HydrophobicContact CE1-CG 3.8Å; F21-W275 HydrophobicContact CE1-CZ2 4.24Å; F21-W275 AromaticContact CE1-NE1 3.24Å; F21-W275 HydrophobicContact CE2-CD2 4.05Å; F21-W275 HydrophobicContact CE2-CE3 4.16Å; F21-W275 HydrophobicContact CE2-CH2 4.36Å; F21-W275 HydrophobicContact CE2-CZ2 4.26Å; F21-W275 HydrophobicContact CE2-CZ3 4.31Å; F21-W275 HydrophobicContact CG-CD2 4.26Å; F21-W275 AromaticContact CG-CE2 3.44Å; F21-W275 VanDerWaalsContact CG-CE2 3.44Å; F21-W275 AromaticContact CG-CH2 3.88Å; F21-W275 HydrophobicContact CG-CH2 3.88Å; F21-W275 AromaticContact CG-CZ2 3.24Å; F21-W275 HydrophobicContact CG-CZ2 3.24Å; F21-W275 AromaticContact CG-NE1 3.75Å; F21-W275 AromaticContact CZ-CD2 3.83Å; F21-W275 HydrophobicContact CZ-CD2 3.83Å; F21-W275 AromaticContact CZ-CE2 3.93Å; F21-W275 HydrophobicContact CZ-CE3 4.34Å; F21-W275 AromaticContact CZ-CG 3.96Å; F21-W275 HydrophobicContact CZ-CG 3.96Å
22T98.9Very high88.3Confident56 Ų5648.6 Ų48.634%0.34425%0.251SS..EExtended strand (participates in β ladder)trans-125.9133.6-174.3-57.20000110.9Q184 V185 T186T22-Q184 VanDerWaalsContact CG2-CD 3.43Å; T22-Q184 HydrophobicContact CG2-CG 3.26Å; T22-V185 WeakPolarHBondContact CA-O 3.47Å; T22-T186 WeakPolarHBondContact CG2-OG1 3.36Å; T22-T186 WeakPolarHBondContact OG1-CB 3.35Å; T22-T186 WeakPolarHBondContact OG1-CG2 3.48Å; T22-T186 PolarHBondContact OG1-OG1 3.08Å
23S98.9Very high90.8Very high2 Ų244.4 Ų44.41%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-126.3148.1168-56.60000110.2T154 Q184 V185 G273S23-T154 VanDerWaalsContact OG-CB 3.25Å; S23-T154 WeakPolarHBondContact OG-CB 3.25Å; S23-T154 PolarHBondContact OG-OG1 3.39Å; S23-Q184 WeakPolarHBondContact O-CA 3.46Å; S23-V185 PolarHBondContact N-O 3.49Å; S23-V185 PolarHBondContact O-N 2.99Å; S23-G273 VanDerWaalsContact CB-O 3.29Å; S23-G273 WeakPolarHBondContact CB-O 3.34Å; S23-G273 PolarHBondContact OG-O 2.66Å
24E98.9Very high92.9Very high76 Ų7639.9 Ų39.936%0.35520%0.198SC..EExtended strand (participates in β ladder)trans-113.215917267.5161.2-162.100112.4I155 T183 Q184 V269E24-I155 WeakPolarHBondContact O-CD1 3.19Å; E24-T183 CarbonylContact C-O 3.51Å; E24-T183 VanDerWaalsContact CA-O 3.27Å; E24-T183 WeakPolarHBondContact CA-O 3.3Å; E24-Q184 HydrophobicContact CB-CB 4.25Å; E24-Q184 HydrophobicContact CB-CG 4.19Å; E24-V269 HydrophobicContact CG-CG2 4.23Å
25S98.9Very high94.7Very high0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-144.8164168.5-175.20000110.3H159 N162 K182 T183S25-H159 WeakPolarHBondContact CB-ND1 3.39Å; S25-H159 PolarHBondContact OG-CE1 3.09Å; S25-H159 PolarHBondContact OG-ND1 2.97Å; S25-N162 VanDerWaalsContact C-ND2 3.28Å; S25-N162 PolarHBondContact O-ND2 2.96Å; S25-K182 WeakPolarHBondContact O-CA 3.25Å; S25-T183 PolarHBondContact N-O 3.29Å; S25-T183 PolarHBondContact O-N 3.05Å; S25-T183 VanDerWaalsContact O-O 3.11Å; S25-T183 PolarHBondContact O-OG1 3.07Å
26V98.9Very high96.3Very high1 Ų131.6 Ų31.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-133.7153.5179.2-56.10000110.4H30 K33 N162 S181 K182 K266V26-H30 HydrophobicContact CB-CB 3.73Å; V26-H30 HydrophobicContact CG2-CB 3.79Å; V26-K33 HydrophobicContact CG2-CB 4.34Å; V26-K33 HydrophobicContact CG2-CG 3.39Å; V26-N162 PolarHBondContact N-ND2 3.32Å; V26-S181 CarbonylContact C-O 3.54Å; V26-S181 VanDerWaalsContact CA-O 3.24Å; V26-S181 WeakPolarHBondContact CA-O 3.29Å; V26-S181 WeakPolarHBondContact CB-O 3.45Å; V26-K182 HydrophobicContact CG1-CB 4.25Å; V26-K182 HydrophobicContact CG1-CG 3.94Å; V26-K266 HydrophobicContact CG1-CD 4.3Å; V26-K266 HydrophobicContact CG2-CD 4Å; V26-K266 HydrophobicContact CG2-CG 4.3Å
27G98.7Very high97.8Very high1 Ų123 Ų231%0.0112%0.118CC..  trans-78.5172.7179.200000113.7G29 H30 N162 S181G27-G29 PolarHBondContact O-N 3.2Å; G27-G29 VanDerWaalsContact O-N 3.14Å; G27-H30 WeakPolarHBondContact O-CB 3.3Å; G27-H30 PolarHBondContact O-N 3.04Å; G27-H30 VanDerWaalsContact O-N 3.16Å; G27-N162 PolarHBondContact N-OD1 3.24Å; G27-S181 WeakPolarHBondContact CA-OG 3.39Å; G27-S181 PolarHBondContact N-O 3.32Å; G27-S181 PolarHBondContact N-OG 3.32Å
28E98.8Very high98.5Very high21 Ų2116.2 Ų16.210%0.0988%0.081CC..THydrogen-bonded Turntrans-58.4-26.5-178.7-67.5170.9-98.100113.4Q37 I91 R170 A377 Y378E28-Q37 PolarHBondContact O-NE2 3.11Å; E28-I91 HydrophobicContact CB-CG1 4.42Å; E28-I91 HydrophobicContact CB-CG2 4.3Å; E28-I91 WeakPolarHBondContact O-CG2 3.45Å; E28-R170 VanDerWaalsContact CD-NH2 3.27Å; E28-R170 IonicContact OE1-CZ 2.71Å; E28-R170 VanDerWaalsContact OE1-CZ 3.27Å; E28-R170 IonicContact OE1-NH1 2.71Å; E28-R170 PolarHBondContact OE1-NH1 2.99Å; E28-R170 IonicContact OE1-NH2 3.04Å; E28-R170 PolarHBondContact OE1-NH2 2.91Å; E28-R170 VanDerWaalsContact OE1-NH2 3.1Å; E28-R170 IonicContact OE2-CZ 3.2Å; E28-R170 IonicContact OE2-NH1 3.21Å; E28-R170 IonicContact OE2-NH2 3.3Å; E28-R170 PolarHBondContact OE2-NH2 2.74Å; E28-A377 HydrophobicContact CG-CB 4.07Å; E28-Y378 HydrophobicContact CG-CE2 3.7Å; E28-Y378 WeakPolarHBondContact CG-OH 3.19Å; E28-Y378 PolarHBondContact OE1-OH 2.71Å
29G98.8Very high98.7Very high0 Ų015.4 Ų15.40%08%0.076CC..THydrogen-bonded Turntrans-96.73.7-178.900000115.7G27 Y93 P179G27-G29 PolarHBondContact O-N 3.2Å; G27-G29 VanDerWaalsContact O-N 3.14Å; G29-Y93 WeakPolarHBondContact O-CE2 3.22Å; G29-Y93 PolarHBondContact O-OH 3.03Å; G29-P179 WeakPolarHBondContact CA-O 3.49Å; G29-P179 PolarHBondContact N-O 2.71Å
30H98.9Very high98.9Very high3 Ų312.6 Ų12.61%0.0146%0.064CC..SBendtrans-63.4134169179.5-70.6000108.8V26 G27 D32 K33 I34 D180 K266V26-H30 HydrophobicContact CB-CB 3.73Å; V26-H30 HydrophobicContact CG2-CB 3.79Å; G27-H30 WeakPolarHBondContact O-CB 3.3Å; G27-H30 PolarHBondContact O-N 3.04Å; G27-H30 VanDerWaalsContact O-N 3.16Å; H30-D32 IonicContact CE1-OD2 2.71Å; H30-D32 PolarHBondContact CE1-OD2 2.8Å; H30-D32 VanDerWaalsContact CE1-OD2 3.25Å; H30-D32 PolarHBondContact ND1-N 2.87Å; H30-D32 VanDerWaalsContact ND1-N 3.19Å; H30-D32 IonicContact ND1-OD2 3.09Å; H30-D32 PolarHBondContact O-N 2.71Å; H30-K33 HydrophobicContact CB-CB 4.33Å; H30-K33 CarbonylContact O-C 3.59Å; H30-K33 WeakPolarHBondContact O-CA 3.27Å; H30-K33 PolarHBondContact O-N 2.88Å; H30-I34 PolarHBondContact O-N 3.49Å; H30-D180 WeakPolarHBondContact CA-OD1 3.48Å; H30-D180 IonicContact CD2-OD1 3.38Å; H30-K266 WeakPolarHBondContact CE1-CE 3.46Å; H30-K266 PolarHBondContact CE1-NZ 2.88Å
31P98.9Very high98.9Very high1 Ų111.1 Ų11.11%0.0066%0.057CC..Hα-helixtrans-58.4-41.1-168.420-31.7000113.8K33 I34 C35 P256 D259 G261P31-K33 VanDerWaalsContact C-N 3.31Å; P31-K33 PolarHBondContact O-N 3.19Å; P31-I34 WeakPolarHBondContact O-CB 3.3Å; P31-I34 PolarHBondContact O-N 3.28Å; P31-C35 PolarHBondContact O-N 3.23Å; P31-C35 PolarHBondContact O-SG 2.97Å; P31-C35 VanDerWaalsContact O-SG 3.38Å; P31-P256 HydrophobicContact CB-CG 4.39Å; P31-D259 HydrophobicContact CG-CB 4Å; P31-G261 VanDerWaalsContact C-CA 3.46Å
32D98.9Very high98.9Very high6 Ų68.7 Ų8.73%0.0325%0.046CC..Hα-helixtrans-60.9-37.5171.8-64.6-35.8000113.3H30 C35 D36 G261 L262 R265 K266H30-D32 IonicContact CE1-OD2 2.71Å; H30-D32 PolarHBondContact CE1-OD2 2.8Å; H30-D32 VanDerWaalsContact CE1-OD2 3.25Å; H30-D32 PolarHBondContact ND1-N 2.87Å; H30-D32 VanDerWaalsContact ND1-N 3.19Å; H30-D32 IonicContact ND1-OD2 3.09Å; H30-D32 PolarHBondContact O-N 2.71Å; D32-C35 WeakPolarHBondContact O-CB 3.36Å; D32-C35 PolarHBondContact O-N 3.15Å; D32-D36 PolarHBondContact O-N 3.17Å; D32-G261 WeakPolarHBondContact OD1-CA 3.37Å; D32-L262 PolarHBondContact OD1-N 3.4Å; D32-R265 HydrophobicContact CB-CB 4.2Å; D32-K266 HydrophobicContact CB-CG 3.73Å; D32-K266 IonicContact OD2-NZ 3.21Å; D32-K266 PolarHBondContact OD2-NZ 2.79Å
33K98.9Very high98.9Very high1 Ų16 Ų60%0.0043%0.03CC..Hα-helixtrans-76-26.3177.9-79.1-43.1-160.7175.90113.8V26 H30 P31 C35 D36 Q37 K266 D270 A376V26-K33 HydrophobicContact CG2-CB 4.34Å; V26-K33 HydrophobicContact CG2-CG 3.39Å; H30-K33 HydrophobicContact CB-CB 4.33Å; H30-K33 CarbonylContact O-C 3.59Å; H30-K33 WeakPolarHBondContact O-CA 3.27Å; H30-K33 PolarHBondContact O-N 2.88Å; P31-K33 VanDerWaalsContact C-N 3.31Å; P31-K33 PolarHBondContact O-N 3.19Å; K33-C35 VanDerWaalsContact C-N 3.29Å; K33-D36 HydrophobicContact CD-CB 4.08Å; K33-D36 VanDerWaalsContact CD-OD2 3.23Å; K33-D36 WeakPolarHBondContact CD-OD2 3.21Å; K33-D36 WeakPolarHBondContact CE-OD2 3.45Å; K33-D36 IonicContact NZ-OD2 2.71Å; K33-D36 PolarHBondContact NZ-OD2 2.93Å; K33-Q37 WeakPolarHBondContact O-CB 3.17Å; K33-Q37 VanDerWaalsContact O-CG 3.31Å; K33-Q37 WeakPolarHBondContact O-CG 3.27Å; K33-Q37 PolarHBondContact O-N 3.13Å; K33-Q37 PolarHBondContact O-NE2 2.88Å; K33-K266 HydrophobicContact CD-CB 4.21Å; K33-K266 HydrophobicContact CD-CG 4.42Å; K33-K266 HydrophobicContact CG-CG 4.49Å; K33-D270 VanDerWaalsContact CE-OD1 3.25Å; K33-D270 WeakPolarHBondContact CE-OD1 3.37Å; K33-D270 IonicContact NZ-OD1 2.83Å; K33-D270 PolarHBondContact NZ-OD1 3.21Å; K33-D270 IonicContact NZ-OD2 3.65Å; K33-D270 PolarHBondContact NZ-OD2 3.05Å; K33-A376 VanDerWaalsContact CD-O 3.31Å; K33-A376 WeakPolarHBondContact CD-O 3.25Å; K33-A376 VanDerWaalsContact CE-O 3.27Å; K33-A376 WeakPolarHBondContact CE-O 3.14Å; K33-A376 PolarHBondContact NZ-O 3.06Å
34I98.9Very high98.9Very high0 Ų06.2 Ų6.20%03%0.031CC..Hα-helixtrans-59-47.3165.8-61.3172.2000109H30 P31 Q37 I38 I66 I91 Y93 P256H30-I34 PolarHBondContact O-N 3.49Å; P31-I34 WeakPolarHBondContact O-CB 3.3Å; P31-I34 PolarHBondContact O-N 3.28Å; I34-Q37 PolarHBondContact O-N 3.07Å; I34-I38 HydrophobicContact CG2-CD1 3.61Å; I34-I38 HydrophobicContact CG2-CG1 4.37Å; I34-I38 WeakPolarHBondContact O-CB 3Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.11Å; I34-I66 HydrophobicContact CG2-CD1 4.45Å; I34-I91 HydrophobicContact CB-CD1 4.33Å; I34-I91 HydrophobicContact CG1-CD1 4.09Å; I34-I91 HydrophobicContact CG2-CD1 4.23Å; I34-Y93 HydrophobicContact CD1-CD2 3.97Å; I34-Y93 HydrophobicContact CD1-CE2 3.56Å; I34-Y93 HydrophobicContact CG1-CE2 4.42Å; I34-P256 HydrophobicContact CD1-CG 3.77Å
35C98.9Very high98.9Very high0 Ų03.2 Ų3.20%02%0.019CC..Hα-helixtrans-61.4-48.7179.6-65.80000112.4P31 D32 K33 Q37 I38 S39 T59 A61 G261 T263P31-C35 PolarHBondContact O-N 3.23Å; P31-C35 PolarHBondContact O-SG 2.97Å; P31-C35 VanDerWaalsContact O-SG 3.38Å; D32-C35 WeakPolarHBondContact O-CB 3.36Å; D32-C35 PolarHBondContact O-N 3.15Å; K33-C35 VanDerWaalsContact C-N 3.29Å; C35-Q37 VanDerWaalsContact C-N 3.35Å; C35-Q37 PolarHBondContact O-N 3.32Å; C35-I38 PolarHBondContact O-N 3.41Å; C35-S39 WeakPolarHBondContact O-CB 3.21Å; C35-S39 PolarHBondContact O-N 3.04Å; C35-S39 PolarHBondContact O-OG 3.32Å; C35-T59 HydrophobicContact CB-CG2 4.04Å; C35-T59 VanDerWaalsContact CB-O 3.31Å; C35-T59 WeakPolarHBondContact CB-O 3.28Å; C35-T59 WeakPolarHBondContact O-CB 3.46Å; C35-T59 PolarHBondContact O-OG1 2.89Å; C35-T59 PolarHBondContact SG-O 3.35Å; C35-T59 VanDerWaalsContact SG-O 3.34Å; C35-A61 VanDerWaalsContact SG-CB 3.55Å; C35-A61 PolarHBondContact SG-N 3.49Å; C35-A61 VanDerWaalsContact SG-N 3.45Å; C35-G261 PolarHBondContact SG-O 2.83Å; C35-T263 WeakPolarHBondContact CB-OG1 3.2Å; C35-T263 PolarHBondContact O-OG1 3.43Å
36D98.9Very high98.9Very high0 Ų03.3 Ų3.30%02%0.019CC..Hα-helixtrans-56.1-47.5176.1-76.4-38.2000112.2D32 K33 I38 S39 D40 G264 S284 A376D32-D36 PolarHBondContact O-N 3.17Å; K33-D36 HydrophobicContact CD-CB 4.08Å; K33-D36 VanDerWaalsContact CD-OD2 3.23Å; K33-D36 WeakPolarHBondContact CD-OD2 3.21Å; K33-D36 WeakPolarHBondContact CE-OD2 3.45Å; K33-D36 IonicContact NZ-OD2 2.71Å; K33-D36 PolarHBondContact NZ-OD2 2.93Å; D36-I38 PolarHBondContact O-N 3.48Å; D36-S39 PolarHBondContact O-N 2.72Å; D36-D40 PolarHBondContact O-N 2.99Å; D36-G264 PolarHBondContact OD1-N 3.06Å; D36-S284 VanDerWaalsContact CB-OG 3.23Å; D36-S284 WeakPolarHBondContact CB-OG 3.27Å; D36-S284 WeakPolarHBondContact O-CB 3.43Å; D36-S284 WeakPolarHBondContact OD1-CB 3.42Å; D36-S284 PolarHBondContact OD1-OG 2.89Å; D36-A376 HydrophobicContact CB-CB 4.19Å
37Q98.9Very high98.9Very high11 Ų113.6 Ų3.65%0.0512%0.021CC..Hα-helixtrans-64.8-39.1179.6-75168.290.800112.5E28 K33 I34 C35 A41 T87 I91 A376 A377E28-Q37 PolarHBondContact O-NE2 3.11Å; K33-Q37 WeakPolarHBondContact O-CB 3.17Å; K33-Q37 VanDerWaalsContact O-CG 3.31Å; K33-Q37 WeakPolarHBondContact O-CG 3.27Å; K33-Q37 PolarHBondContact O-N 3.13Å; K33-Q37 PolarHBondContact O-NE2 2.88Å; I34-Q37 PolarHBondContact O-N 3.07Å; C35-Q37 VanDerWaalsContact C-N 3.35Å; C35-Q37 PolarHBondContact O-N 3.32Å; Q37-A41 VanDerWaalsContact O-CB 3.27Å; Q37-A41 WeakPolarHBondContact O-CB 3.42Å; Q37-A41 PolarHBondContact O-N 2.96Å; Q37-T87 HydrophobicContact CB-CG2 4.05Å; Q37-I91 HydrophobicContact CB-CD1 4.45Å; Q37-A376 HydrophobicContact CB-CB 4.3Å; Q37-A376 HydrophobicContact CG-CB 3.76Å; Q37-A377 HydrophobicContact CG-CB 4.43Å
38I98.9Very high98.9Very high0 Ų010.5 Ų10.50%05%0.05CC..Hα-helixtrans-66.5-48176.4-71.8169.1000110.4I34 C35 D36 D40 A41 I42 T59 I66 L68 V84 T87 I88I34-I38 HydrophobicContact CG2-CD1 3.61Å; I34-I38 HydrophobicContact CG2-CG1 4.37Å; I34-I38 WeakPolarHBondContact O-CB 3Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.11Å; C35-I38 PolarHBondContact O-N 3.41Å; D36-I38 PolarHBondContact O-N 3.48Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.12Å; I38-A41 WeakPolarHBondContact O-CB 3.41Å; I38-A41 PolarHBondContact O-N 2.89Å; I38-A41 VanDerWaalsContact O-N 3.07Å; I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 3.01Å; I38-T59 HydrophobicContact CB-CG2 4.03Å; I38-T59 HydrophobicContact CD1-CG2 4.17Å; I38-T59 HydrophobicContact CG2-CG2 3.86Å; I38-T59 WeakPolarHBondContact CG2-OG1 3.38Å; I38-I66 HydrophobicContact CD1-CD1 3.86Å; I38-I66 HydrophobicContact CD1-CG1 4.14Å; I38-I66 HydrophobicContact CD1-CG2 4.13Å; I38-L68 HydrophobicContact CG2-CD2 3.68Å; I38-V84 HydrophobicContact CD1-CG1 4.24Å; I38-V84 HydrophobicContact CG2-CG2 3.81Å; I38-T87 HydrophobicContact CG1-CG2 3.76Å; I38-I88 HydrophobicContact CD1-CD1 4.44Å; I38-I88 HydrophobicContact CD1-CG1 4.09Å
39S98.9Very high98.9Very high0 Ų014.8 Ų14.80%07%0.07CC..Hα-helixtrans-56.3-42.6178.3-800000112.2C35 D36 I42 L43 C57 T59 T263C35-S39 WeakPolarHBondContact O-CB 3.21Å; C35-S39 PolarHBondContact O-N 3.04Å; C35-S39 PolarHBondContact O-OG 3.32Å; D36-S39 PolarHBondContact O-N 2.72Å; S39-I42 PolarHBondContact O-N 3.27Å; S39-L43 PolarHBondContact O-N 3.29Å; S39-L43 VanDerWaalsContact O-N 3.08Å; S39-C57 WeakPolarHBondContact CB-O 3.38Å; S39-C57 PolarHBondContact OG-O 2.98Å; S39-T59 PolarHBondContact N-OG1 3.23Å; S39-T59 PolarHBondContact OG-N 2.98Å; S39-T59 PolarHBondContact OG-OG1 2.9Å; S39-T263 PolarHBondContact OG-OG1 3.3Å; S39-T263 VanDerWaalsContact OG-OG1 3.04Å
40D98.9Very high98.9Very high0 Ų015.5 Ų15.50%07%0.074CC..Hα-helixtrans-76-28.2175.1-84.3-18.4000114.4D36 I38 I42 L43 D44 S284 G285 R293 T375 A376D36-D40 PolarHBondContact O-N 2.99Å; I38-D40 VanDerWaalsContact C-N 3.28Å; I38-D40 PolarHBondContact O-N 3.12Å; D40-I42 VanDerWaalsContact C-N 3.31Å; D40-L43 PolarHBondContact O-N 2.91Å; D40-D44 WeakPolarHBondContact O-CB 3.41Å; D40-D44 PolarHBondContact O-N 3.02Å; D40-S284 WeakPolarHBondContact OD1-CA 3.45Å; D40-G285 PolarHBondContact OD1-N 3.49Å; D40-R293 IonicContact OD1-CZ 2.93Å; D40-R293 VanDerWaalsContact OD1-CZ 3.25Å; D40-R293 IonicContact OD1-NH1 2.73Å; D40-R293 PolarHBondContact OD1-NH1 3.5Å; D40-R293 IonicContact OD1-NH2 2.6Å; D40-R293 PolarHBondContact OD1-NH2 3.09Å; D40-R293 IonicContact OD2-CZ 2.72Å; D40-R293 IonicContact OD2-NH2 3.35Å; D40-R293 PolarHBondContact OD2-NH2 3.22Å; D40-T375 PolarHBondContact OD2-OG1 3.19Å; D40-A376 HydrophobicContact CB-CB 4.25Å
41A98.9Very high98.9Very high4 Ų418.4 Ų18.43%0.0339%0.093CC..Hα-helixtrans-65.6-37.2170.900000111.5Q37 I38 A45 V83 T87 Q373Q37-A41 VanDerWaalsContact O-CB 3.27Å; Q37-A41 WeakPolarHBondContact O-CB 3.42Å; Q37-A41 PolarHBondContact O-N 2.96Å; I38-A41 WeakPolarHBondContact O-CB 3.41Å; I38-A41 PolarHBondContact O-N 2.89Å; I38-A41 VanDerWaalsContact O-N 3.07Å; A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.4Å; A41-V83 HydrophobicContact CB-CG1 3.76Å; A41-T87 HydrophobicContact CB-CG2 4.44Å; A41-T87 VanDerWaalsContact CB-OG1 3.27Å; A41-T87 WeakPolarHBondContact CB-OG1 3.37Å; A41-Q373 HydrophobicContact CB-CG 4.18Å
42I98.9Very high98.9Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-63.6-48.9171.6-64.9-46.7000110.4I38 S39 D40 D44 A45 H46 C57 L68 Y80 V83 V84I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 3.01Å; S39-I42 PolarHBondContact O-N 3.27Å; D40-I42 VanDerWaalsContact C-N 3.31Å; I42-D44 PolarHBondContact O-N 3.42Å; I42-A45 WeakPolarHBondContact O-CB 3.46Å; I42-A45 PolarHBondContact O-N 2.88Å; I42-A45 VanDerWaalsContact O-N 3.14Å; I42-H46 PolarHBondContact O-CD2 2.82Å; I42-H46 PolarHBondContact O-N 3.06Å; I42-C57 HydrophobicContact CG2-CB 4.23Å; I42-L68 HydrophobicContact CD1-CD1 4.08Å; I42-L68 HydrophobicContact CG1-CD1 4.05Å; I42-L68 HydrophobicContact CG1-CD2 4.42Å; I42-Y80 HydrophobicContact CD1-CD1 3.72Å; I42-Y80 HydrophobicContact CD1-CE1 4.39Å; I42-Y80 HydrophobicContact CG1-CD1 4.46Å; I42-Y80 HydrophobicContact CG2-CD1 4.3Å; I42-Y80 HydrophobicContact CG2-CE1 3.91Å; I42-V83 HydrophobicContact CD1-CB 3.86Å; I42-V83 HydrophobicContact CD1-CG1 3.68Å; I42-V84 HydrophobicContact CD1-CG2 4.42Å
43L98.9Very high98.8Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-54.3-50.7175.2172.762.9000111.7S39 D40 A45 H46 L47 I55 K286 D287 Y372S39-L43 PolarHBondContact O-N 3.29Å; S39-L43 VanDerWaalsContact O-N 3.08Å; D40-L43 PolarHBondContact O-N 2.91Å; L43-A45 VanDerWaalsContact C-N 3.28Å; L43-A45 PolarHBondContact O-N 3.11Å; L43-H46 PolarHBondContact O-N 3.12Å; L43-L47 HydrophobicContact CD1-CD1 3.69Å; L43-L47 HydrophobicContact CD1-CG 3.88Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 3.44Å; L43-I55 HydrophobicContact CB-CG2 4.35Å; L43-I55 HydrophobicContact CD1-CB 3.81Å; L43-I55 HydrophobicContact CD1-CG1 3.71Å; L43-I55 HydrophobicContact CD1-CG2 4.18Å; L43-K286 VanDerWaalsContact CD2-O 3.29Å; L43-K286 WeakPolarHBondContact CD2-O 3.42Å; L43-D287 HydrophobicContact CD1-CB 4.21Å; L43-Y372 HydrophobicContact CD2-CD1 4.05Å; L43-Y372 HydrophobicContact CD2-CD2 3.46Å; L43-Y372 VanDerWaalsContact CD2-CD2 3.46Å; L43-Y372 HydrophobicContact CD2-CE2 4.01Å; L43-Y372 HydrophobicContact CD2-CG 3.48Å; L43-Y372 VanDerWaalsContact CD2-CG 3.48Å; L43-Y372 HydrophobicContact CG-CD2 3.86Å; L43-Y372 HydrophobicContact CG-CE2 4.42Å; L43-Y372 HydrophobicContact CG-CG 4.29Å
44D98.9Very high98.8Very high6 Ų622.7 Ų22.73%0.03212%0.115CC..Hα-helixtrans-61.6-36.4178.7-78.1-14.9000112D40 I42 K48 P370 I371 Y372 Q373D40-D44 WeakPolarHBondContact O-CB 3.41Å; D40-D44 PolarHBondContact O-N 3.02Å; I42-D44 PolarHBondContact O-N 3.42Å; D44-K48 WeakPolarHBondContact O-CB 3.27Å; D44-K48 WeakPolarHBondContact O-CD 3.4Å; D44-K48 WeakPolarHBondContact O-CG 3.46Å; D44-K48 PolarHBondContact O-N 3.21Å; D44-P370 HydrophobicContact CB-CB 3.94Å; D44-P370 VanDerWaalsContact CG-C 3.49Å; D44-P370 WeakPolarHBondContact O-CB 3.44Å; D44-P370 WeakPolarHBondContact OD1-CA 3.46Å; D44-I371 PolarHBondContact OD1-N 2.68Å; D44-I371 VanDerWaalsContact OD1-N 3.08Å; D44-Y372 WeakPolarHBondContact OD1-CB 3.38Å; D44-Y372 VanDerWaalsContact OD1-CD2 3.3Å; D44-Y372 WeakPolarHBondContact OD1-CD2 3.43Å; D44-Y372 PolarHBondContact OD1-N 3.4Å; D44-Y372 PolarHBondContact OD2-N 3.46Å; D44-Y372 VanDerWaalsContact OD2-N 3.15Å; D44-Q373 WeakPolarHBondContact OD2-CB 3.44Å; D44-Q373 PolarHBondContact OD2-N 2.92Å
45A98.9Very high98.8Very high13 Ų1322.7 Ų22.711%0.10712%0.115CC..Hα-helixtrans-65.8-37.4177.300000112.5A41 I42 L43 V78 V83A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.4Å; I42-A45 WeakPolarHBondContact O-CB 3.46Å; I42-A45 PolarHBondContact O-N 2.88Å; I42-A45 VanDerWaalsContact O-N 3.14Å; L43-A45 VanDerWaalsContact C-N 3.28Å; L43-A45 PolarHBondContact O-N 3.11Å; A45-V78 HydrophobicContact CB-CG1 3.84Å; A45-V78 HydrophobicContact CB-CG2 4.21Å; A45-V83 HydrophobicContact CB-CG1 4.39Å; A45-V83 HydrophobicContact CB-CG2 3.91Å
46H98.9Very high98.8Very high2 Ų223.4 Ų23.41%0.00912%0.121CC..Hα-helixtrans-69.4-51.7172.6-82.7-83.9000111.5I42 L43 K48 Q49 D50 A53 I55 V72 S74 A76 Y80I42-H46 PolarHBondContact O-CD2 2.82Å; I42-H46 PolarHBondContact O-N 3.06Å; L43-H46 PolarHBondContact O-N 3.12Å; H46-K48 PolarHBondContact O-N 2.99Å; H46-K48 VanDerWaalsContact O-N 3.17Å; H46-Q49 PolarHBondContact O-N 3.21Å; H46-D50 PolarHBondContact O-N 3.44Å; H46-A53 HydrophobicContact CB-CB 3.92Å; H46-I55 HydrophobicContact CB-CD1 3.76Å; H46-I55 HydrophobicContact CB-CG1 4.25Å; H46-V72 WeakPolarHBondContact CE1-CG1 3.43Å; H46-S74 WeakPolarHBondContact ND1-CB 3.4Å; H46-S74 PolarHBondContact ND1-OG 3.06Å; H46-A76 HydrophobicContact CB-CB 4.47Å; H46-Y80 PolarHBondContact CE1-OH 3.43Å; H46-Y80 AromaticContact NE2-CE1 3.61Å; H46-Y80 AromaticContact NE2-CZ 3.67Å; H46-Y80 PolarHBondContact NE2-OH 2.78Å
47L98.8Very high98.8Very high7 Ų723.4 Ų23.44%0.03712%0.121CC..Hα-helixtrans-62.7-25.7-176.8-69.7178.5000114.1L43 Q49 D50 A53 P370 Y372L43-L47 HydrophobicContact CD1-CD1 3.69Å; L43-L47 HydrophobicContact CD1-CG 3.88Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 3.44Å; L47-Q49 PolarHBondContact O-N 2.63Å; L47-D50 WeakPolarHBondContact CA-O 3.38Å; L47-A53 HydrophobicContact CD2-CB 4.43Å; L47-P370 HydrophobicContact CB-CB 4.21Å; L47-Y372 HydrophobicContact CD1-CD2 3.73Å; L47-Y372 HydrophobicContact CD1-CE2 3.34Å
48K98.8Very high98.8Very high146 Ų14626.3 Ų26.364%0.63514%0.135SC*.THydrogen-bonded Turntrans-61.8-28.4172.3-81166.8-171.4166.20113.6D44 H46 P370D44-K48 WeakPolarHBondContact O-CB 3.27Å; D44-K48 WeakPolarHBondContact O-CD 3.4Å; D44-K48 WeakPolarHBondContact O-CG 3.46Å; D44-K48 PolarHBondContact O-N 3.21Å; H46-K48 PolarHBondContact O-N 2.99Å; H46-K48 VanDerWaalsContact O-N 3.17Å; K48-P370 HydrophobicContact CD-CB 4.46Å; K48-P370 HydrophobicContact CG-CB 3.7Å; K48-P370 HydrophobicContact CG-CG 3.61Å
49Q98.8Very high98.8Very high110 Ų11026.3 Ų26.351%0.51414%0.135SC..THydrogen-bonded Turntrans-110.3-32.6-176.4-63179.459.800111.8H46 L47 A76 V77H46-Q49 PolarHBondContact O-N 3.21Å; L47-Q49 PolarHBondContact O-N 2.63Å; Q49-A76 HydrophobicContact CB-CB 3.66Å; Q49-A76 HydrophobicContact CG-CB 4.35Å; Q49-V77 PolarHBondContact NE2-O 3.35Å; Q49-V77 PolarHBondContact OE1-O 2.95Å
50D98.8Very high98.8Very high15 Ų1528.4 Ų28.48%0.0815%0.148CC..  trans-138.592-175.3175.812.7000109.5H46 L47 D52 A53 S74 H75 A76H46-D50 PolarHBondContact O-N 3.44Å; L47-D50 WeakPolarHBondContact CA-O 3.38Å; D50-D52 PolarHBondContact O-N 2.96Å; D50-D52 VanDerWaalsContact O-N 3.07Å; D50-D52 PolarHBondContact OD1-N 3.42Å; D50-D52 VanDerWaalsContact OD1-N 3.13Å; D50-A53 HydrophobicContact CB-CB 4.28Å; D50-A53 VanDerWaalsContact O-CB 3.27Å; D50-A53 WeakPolarHBondContact O-CB 3.33Å; D50-A53 PolarHBondContact O-N 3.19Å; D50-A53 VanDerWaalsContact O-N 3.11Å; D50-A53 PolarHBondContact OD1-N 2.87Å; D50-S74 WeakPolarHBondContact CB-OG 3.13Å; D50-S74 WeakPolarHBondContact OD2-CA 3.46Å; D50-S74 WeakPolarHBondContact OD2-CB 3.41Å; D50-S74 PolarHBondContact OD2-OG 2.76Å; D50-H75 HydrophobicContact CB-CB 4.44Å; D50-H75 PolarHBondContact OD2-N 2.95Å; D50-A76 HydrophobicContact CB-CB 4.26Å
51P98.7Very high98.8Very high64 Ų6428.4 Ų28.442%0.41615%0.148SC..THydrogen-bonded Turntrans-60.4-15.7179.2-25.636.1000114.4K368P51-K368 HydrophobicContact CB-CB 4.12Å; P51-K368 HydrophobicContact CB-CD 4.1Å; P51-K368 VanDerWaalsContact O-CD 3.3Å; P51-K368 WeakPolarHBondContact O-CD 3.44Å; P51-K368 WeakPolarHBondContact O-CG 3.33Å
52D98.5Very high98.8Very high77 Ų7731.4 Ų31.441%0.41216%0.16SC..THydrogen-bonded Turntrans-103.38.6-179-73.3-56000113.2D50 K54 K368D50-D52 PolarHBondContact O-N 2.96Å; D50-D52 VanDerWaalsContact O-N 3.07Å; D50-D52 PolarHBondContact OD1-N 3.42Å; D50-D52 VanDerWaalsContact OD1-N 3.13Å; D52-K54 PolarHBondContact O-N 3.28Å; D52-K54 PolarHBondContact O-NZ 3.33Å; D52-K368 WeakPolarHBondContact OD1-CE 3.27Å; D52-K368 IonicContact OD1-NZ 2.68Å; D52-K368 PolarHBondContact OD1-NZ 2.95Å; D52-K368 IonicContact OD2-NZ 3.68Å
53A98.7Very high98.8Very high2 Ų235.2 Ų35.22%0.01718%0.184CC..  trans-52.1134.7177.200000112H46 L47 D50 I55 S74 D287H46-A53 HydrophobicContact CB-CB 3.92Å; L47-A53 HydrophobicContact CD2-CB 4.43Å; D50-A53 HydrophobicContact CB-CB 4.28Å; D50-A53 VanDerWaalsContact O-CB 3.27Å; D50-A53 WeakPolarHBondContact O-CB 3.33Å; D50-A53 PolarHBondContact O-N 3.19Å; D50-A53 VanDerWaalsContact O-N 3.11Å; D50-A53 PolarHBondContact OD1-N 2.87Å; A53-I55 HydrophobicContact CB-CD1 4Å; A53-I55 HydrophobicContact CB-CG1 4.04Å; A53-S74 WeakPolarHBondContact CB-OG 3.33Å; A53-D287 WeakPolarHBondContact O-CB 3.43Å
54K98.8Very high98.7Very high19 Ų1936.9 Ų36.98%0.08320%0.201CC..EExtended strand (participates in β ladder)trans-98.7112.5173.3-58-64.5177.5-780108.1D52 V72 T73 D287 T289D52-K54 PolarHBondContact O-N 3.28Å; D52-K54 PolarHBondContact O-NZ 3.33Å; K54-V72 WeakPolarHBondContact O-CA 3.19Å; K54-T73 PolarHBondContact N-O 2.82Å; K54-T73 PolarHBondContact O-N 3.11Å; K54-D287 WeakPolarHBondContact CA-OD1 3.17Å; K54-T289 HydrophobicContact CD-CG2 4.3Å
55I98.8Very high98.7Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-126.8128.8-171.1-50.8-63.4000109.5L43 H46 A53 C57 V72 G285 K286 D287L43-I55 HydrophobicContact CB-CG2 4.35Å; L43-I55 HydrophobicContact CD1-CB 3.81Å; L43-I55 HydrophobicContact CD1-CG1 3.71Å; L43-I55 HydrophobicContact CD1-CG2 4.18Å; H46-I55 HydrophobicContact CB-CD1 3.76Å; H46-I55 HydrophobicContact CB-CG1 4.25Å; A53-I55 HydrophobicContact CB-CD1 4Å; A53-I55 HydrophobicContact CB-CG1 4.04Å; I55-C57 HydrophobicContact CG2-CB 3.9Å; I55-V72 HydrophobicContact CD1-CB 4.21Å; I55-V72 HydrophobicContact CD1-CG1 3.64Å; I55-V72 HydrophobicContact CD1-CG2 3.88Å; I55-V72 HydrophobicContact CG2-CG2 4.33Å; I55-G285 CarbonylContact C-O 3.53Å; I55-G285 WeakPolarHBondContact CG2-O 3.43Å; I55-K286 WeakPolarHBondContact O-CA 3.44Å; I55-D287 HydrophobicContact CB-CB 4.46Å; I55-D287 PolarHBondContact N-OD1 2.72Å; I55-D287 PolarHBondContact O-N 2.6Å
56A98.7Very high98.8Very high15 Ų1538.6 Ų38.612%0.12421%0.207CC..EExtended strand (participates in β ladder)trans-137.674.8165.600000107.3G70 E71 G285A56-G70 CarbonylContact O-C 3.59Å; A56-G70 WeakPolarHBondContact O-CA 3.42Å; A56-E71 PolarHBondContact N-O 2.98Å; A56-E71 PolarHBondContact O-N 3.29Å; A56-G285 CarbonylContact C-O 3.47Å; A56-G285 VanDerWaalsContact CA-O 3.29Å; A56-G285 WeakPolarHBondContact CA-O 3.22Å
57C98.8Very high98.8Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-100.9108.5-174.6-176.90000110.4S39 I42 I55 G285S39-C57 WeakPolarHBondContact CB-O 3.38Å; S39-C57 PolarHBondContact OG-O 2.98Å; I42-C57 HydrophobicContact CG2-CB 4.23Å; I55-C57 HydrophobicContact CG2-CB 3.9Å; C57-G285 PolarHBondContact N-O 3.13Å
58E98.9Very high98.8Very high72 Ų7240.4 Ų40.434%0.33622%0.217SC..EExtended strand (participates in β ladder)trans-90.5140171.4-55-61.8170.200110.3L68 A69 T263E58-L68 CarbonylContact O-C 3.55Å; E58-L68 WeakPolarHBondContact O-CA 3.41Å; E58-A69 WeakPolarHBondContact CA-O 3.47Å; E58-A69 WeakPolarHBondContact CB-O 3.2Å; E58-A69 PolarHBondContact N-O 2.98Å; E58-A69 PolarHBondContact O-N 3.42Å; E58-T263 VanDerWaalsContact OE2-CB 3.27Å; E58-T263 WeakPolarHBondContact OE2-CB 3.41Å; E58-T263 VanDerWaalsContact OE2-CG2 3.31Å; E58-T263 WeakPolarHBondContact OE2-CG2 3.23Å
59T98.9Very high98.8Very high1 Ų134.9 Ų34.91%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-116.7135.3173.4-54.10000110.6C35 I38 S39 I66 L67 L68 L262 T263C35-T59 HydrophobicContact CB-CG2 4.04Å; C35-T59 VanDerWaalsContact CB-O 3.31Å; C35-T59 WeakPolarHBondContact CB-O 3.28Å; C35-T59 WeakPolarHBondContact O-CB 3.46Å; C35-T59 PolarHBondContact O-OG1 2.89Å; C35-T59 PolarHBondContact SG-O 3.35Å; C35-T59 VanDerWaalsContact SG-O 3.34Å; I38-T59 HydrophobicContact CB-CG2 4.03Å; I38-T59 HydrophobicContact CD1-CG2 4.17Å; I38-T59 HydrophobicContact CG2-CG2 3.86Å; I38-T59 WeakPolarHBondContact CG2-OG1 3.38Å; S39-T59 PolarHBondContact N-OG1 3.23Å; S39-T59 PolarHBondContact OG-N 2.98Å; S39-T59 PolarHBondContact OG-OG1 2.9Å; T59-I66 HydrophobicContact CG2-CG2 3.7Å; T59-L67 CarbonylContact C-O 3.57Å; T59-L67 WeakPolarHBondContact CA-O 3.47Å; T59-L68 HydrophobicContact CG2-CD2 4.11Å; T59-L68 WeakPolarHBondContact OG1-CD2 3.43Å; T59-L262 WeakPolarHBondContact O-CA 3.43Å; T59-T263 WeakPolarHBondContact CA-OG1 3.41Å; T59-T263 WeakPolarHBondContact CB-OG1 3.33Å; T59-T263 PolarHBondContact N-OG1 2.75Å; T59-T263 PolarHBondContact O-N 3.39Å; T59-T263 PolarHBondContact O-OG1 3.46Å; T59-T263 VanDerWaalsContact O-OG1 3.11Å
60V98.9Very high98.8Very high43 Ų4330.3 Ų30.326%0.26118%0.18SC..EExtended strand (participates in β ladder)trans-119.6134.9170.5-179.10000109.6I66 L67 G261 L262V60-I66 CarbonylContact O-C 3.55Å; V60-I66 WeakPolarHBondContact O-CA 3.33Å; V60-L67 HydrophobicContact CB-CB 4.3Å; V60-L67 PolarHBondContact N-O 3.45Å; V60-L67 PolarHBondContact O-N 3.01Å; V60-G261 CarbonylContact C-O 3.59Å; V60-G261 WeakPolarHBondContact CA-O 3.49Å; V60-L262 HydrophobicContact CG1-CG 4.42Å; V60-L262 HydrophobicContact CG2-CD2 4.27Å; V60-L262 HydrophobicContact CG2-CG 4.23Å
61A98.9Very high98.8Very high0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-123.9134.7178.700000111.4C35 M65 I66 P256 A260 G261C35-A61 VanDerWaalsContact SG-CB 3.55Å; C35-A61 PolarHBondContact SG-N 3.49Å; C35-A61 VanDerWaalsContact SG-N 3.45Å; A61-M65 WeakPolarHBondContact CA-O 3.34Å; A61-I66 HydrophobicContact CB-CD1 3.66Å; A61-P256 HydrophobicContact CB-CB 4.15Å; A61-P256 HydrophobicContact CB-CG 4Å; A61-A260 WeakPolarHBondContact O-CA 3.45Å; A61-G261 PolarHBondContact N-O 2.94Å; A61-G261 PolarHBondContact O-N 3.1Å
62K98.8Very high98.8Very high68 Ų6831.6 Ų31.630%0.29618%0.181SC..EExtended strand (participates in β ladder)trans-148.2-179.8166.8-163.460.6-150154.40109.4G64 M65 F100 P256 Q257 D259 A260K62-G64 PolarHBondContact O-N 3.19Å; K62-M65 HydrophobicContact CB-CE 4.37Å; K62-M65 PolarHBondContact N-O 3.3Å; K62-M65 PolarHBondContact O-N 3.04Å; K62-M65 VanDerWaalsContact O-O 3.06Å; K62-F100 WeakPolarHBondContact O-CE2 3.45Å; K62-P256 CarbonylContact C-O 3.28Å; K62-P256 WeakPolarHBondContact CD-O 3.43Å; K62-P256 VanDerWaalsContact CE-O 3.31Å; K62-P256 WeakPolarHBondContact CE-O 3.46Å; K62-P256 PolarHBondContact NZ-O 3.41Å; K62-P256 WeakPolarHBondContact O-CB 3.34Å; K62-Q257 PolarHBondContact NZ-O 3.14Å; K62-Q257 VanDerWaalsContact NZ-O 3.11Å; K62-D259 PolarHBondContact NZ-O 3.46Å; K62-A260 HydrophobicContact CD-CB 3.85Å
63T98.6Very high98.8Very high80 Ų8030.5 Ų30.549%0.49118%0.177SC..THydrogen-bonded Turntrans-41.8111.5-179.6-46.50000112.4M65 P256 Q257T63-M65 PolarHBondContact O-N 3.44Å; T63-P256 PolarHBondContact N-O 2.95Å; T63-Q257 HydrophobicContact CG2-CG 4.23Å
64G98Very high98.8Very high35 Ų3532 Ų3236%0.36119%0.188SC..THydrogen-bonded Turntrans65.612.617800000116K62 N106K62-G64 PolarHBondContact O-N 3.19Å; G64-N106 WeakPolarHBondContact O-CB 3.5Å; G64-N106 PolarHBondContact O-N 3.37Å
65M98.9Very high98.8Very high55 Ų5539.6 Ų39.627%0.27122%0.223SC..EExtended strand (participates in β ladder)trans-134.6132.6-174.5-175.6-175.277.100112.3A61 K62 T63 N106 L108A61-M65 WeakPolarHBondContact CA-O 3.34Å; K62-M65 HydrophobicContact CB-CE 4.37Å; K62-M65 PolarHBondContact N-O 3.3Å; K62-M65 PolarHBondContact O-N 3.04Å; K62-M65 VanDerWaalsContact O-O 3.06Å; T63-M65 PolarHBondContact O-N 3.44Å; M65-N106 WeakPolarHBondContact CA-O 3.48Å; M65-L108 HydrophobicContact CG-CD1 4.25Å; M65-L108 HydrophobicContact SD-CD1 3.95Å
66I98.9Very high98.8Very high0 Ų040.2 Ų40.20%023%0.229CC..EExtended strand (participates in β ladder)trans-114132.8155.9-59.9-57.4000108.4I34 I38 T59 V60 A61 L68 V84 I88 F100 N106 V107 L108I34-I66 HydrophobicContact CG2-CD1 4.45Å; I38-I66 HydrophobicContact CD1-CD1 3.86Å; I38-I66 HydrophobicContact CD1-CG1 4.14Å; I38-I66 HydrophobicContact CD1-CG2 4.13Å; T59-I66 HydrophobicContact CG2-CG2 3.7Å; V60-I66 CarbonylContact O-C 3.55Å; V60-I66 WeakPolarHBondContact O-CA 3.33Å; A61-I66 HydrophobicContact CB-CD1 3.66Å; I66-L68 HydrophobicContact CG2-CD2 4.29Å; I66-V84 HydrophobicContact CB-CG1 4.02Å; I66-V84 HydrophobicContact CG1-CG1 3.97Å; I66-V84 HydrophobicContact CG2-CG1 3.83Å; I66-I88 HydrophobicContact CD1-CD1 4.46Å; I66-I88 HydrophobicContact CG1-CD1 3.89Å; I66-F100 HydrophobicContact CD1-CE1 4.34Å; I66-F100 HydrophobicContact CD1-CZ 3.87Å; I66-F100 HydrophobicContact CG1-CE1 4.47Å; I66-F100 HydrophobicContact CG1-CZ 4.04Å; I66-N106 PolarHBondContact N-O 2.88Å; I66-V107 CarbonylContact O-C 3.51Å; I66-V107 WeakPolarHBondContact O-CA 3.37Å; I66-L108 PolarHBondContact O-N 3.2Å
67L98.9Very high98.8Very high47 Ų4745.5 Ų45.525%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-117.2124.9169.9169.266.1000108.6T59 V60 A69 L108 A110T59-L67 CarbonylContact C-O 3.57Å; T59-L67 WeakPolarHBondContact CA-O 3.47Å; V60-L67 HydrophobicContact CB-CB 4.3Å; V60-L67 PolarHBondContact N-O 3.45Å; V60-L67 PolarHBondContact O-N 3.01Å; L67-A69 HydrophobicContact CG-CB 4.48Å; L67-L108 WeakPolarHBondContact CA-O 3.27Å; L67-L108 HydrophobicContact CD1-CB 3.75Å; L67-A110 HydrophobicContact CD1-CB 4.19Å
68L98.9Very high98.7Very high0 Ų046.5 Ų46.50%027%0.265CS..EExtended strand (participates in β ladder)trans-93.4129.5164.1-54.5-177.6000108.7I38 I42 E58 T59 I66 Y80 V84 L108 V109 A110 L111I38-L68 HydrophobicContact CG2-CD2 3.68Å; I42-L68 HydrophobicContact CD1-CD1 4.08Å; I42-L68 HydrophobicContact CG1-CD1 4.05Å; I42-L68 HydrophobicContact CG1-CD2 4.42Å; E58-L68 CarbonylContact O-C 3.55Å; E58-L68 WeakPolarHBondContact O-CA 3.41Å; T59-L68 HydrophobicContact CG2-CD2 4.11Å; T59-L68 WeakPolarHBondContact OG1-CD2 3.43Å; I66-L68 HydrophobicContact CG2-CD2 4.29Å; L68-Y80 HydrophobicContact CD1-CD1 3.93Å; L68-Y80 HydrophobicContact CD1-CG 4.26Å; L68-V84 HydrophobicContact CD1-CG2 3.9Å; L68-V84 HydrophobicContact CD2-CG2 4.12Å; L68-V84 HydrophobicContact CG-CG2 4.25Å; L68-L108 PolarHBondContact N-O 3.15Å; L68-V109 HydrophobicContact CD1-CG2 4.32Å; L68-A110 PolarHBondContact O-N 2.71Å; L68-L111 HydrophobicContact CB-CD1 4.34Å; L68-L111 HydrophobicContact CB-CD2 4.4Å; L68-L111 HydrophobicContact CB-CG 4.29Å; L68-L111 HydrophobicContact CD1-CD1 4.46Å
69A98.9Very high98.7Very high29 Ų2947.4 Ų47.424%0.2427%0.272CS..EExtended strand (participates in β ladder)trans-139.8149.6178.700000110.9E58 L67 A110E58-A69 WeakPolarHBondContact CA-O 3.47Å; E58-A69 WeakPolarHBondContact CB-O 3.2Å; E58-A69 PolarHBondContact N-O 2.98Å; E58-A69 PolarHBondContact O-N 3.42Å; L67-A69 HydrophobicContact CG-CB 4.48Å; A69-A110 WeakPolarHBondContact CA-O 3.38Å
70G98.7Very high98.7Very high14 Ų1449.9 Ų49.914%0.14428%0.282CS..EExtended strand (participates in β ladder)trans122.7-151177.200000112.7A56 A110 L111 E112A56-G70 CarbonylContact O-C 3.59Å; A56-G70 WeakPolarHBondContact O-CA 3.42Å; G70-A110 PolarHBondContact N-O 3.09Å; G70-L111 WeakPolarHBondContact O-CA 3.4Å; G70-E112 PolarHBondContact O-N 3.08Å
71E98.8Very high98.7Very high90 Ų9051.3 Ų51.342%0.42129%0.286SS..EExtended strand (participates in β ladder)trans-124.9129.1-165.3-52.575.8-145.600113.2A56 E112A56-E71 PolarHBondContact N-O 2.98Å; A56-E71 PolarHBondContact O-N 3.29Å; E71-E112 CarbonylContact C-O 3.52Å; E71-E112 VanDerWaalsContact CA-O 3.32Å; E71-E112 WeakPolarHBondContact CA-O 3.42Å
72V98.8Very high98.7Very high17 Ų1758.3 Ų58.310%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-135115.5178.2170.10000109.5H46 K54 I55 L111 E112H46-V72 WeakPolarHBondContact CE1-CG1 3.43Å; K54-V72 WeakPolarHBondContact O-CA 3.19Å; I55-V72 HydrophobicContact CD1-CB 4.21Å; I55-V72 HydrophobicContact CD1-CG1 3.64Å; I55-V72 HydrophobicContact CD1-CG2 3.88Å; I55-V72 HydrophobicContact CG2-CG2 4.33Å; V72-L111 HydrophobicContact CG2-CD1 4.24Å; V72-L111 HydrophobicContact CG2-CD2 4.33Å; V72-E112 PolarHBondContact N-O 3.45Å
73T98.8Very high98.7Very high53 Ų5356.6 Ų56.633%0.32531%0.311SS..EExtended strand (participates in β ladder)trans-116.2110166.7-60.90000108.3K54 Q114K54-T73 PolarHBondContact N-O 2.82Å; K54-T73 PolarHBondContact O-N 3.11Å; T73-Q114 WeakPolarHBondContact OG1-CB 3.41Å; T73-Q114 PolarHBondContact OG1-N 2.89Å
74S98.7Very high98.7Very high33 Ų3352.8 Ų52.823%0.23129%0.288CS..  trans-156.7153.7-174.9-179.30000111.7H46 D50 A53 A76H46-S74 WeakPolarHBondContact ND1-CB 3.4Å; H46-S74 PolarHBondContact ND1-OG 3.06Å; D50-S74 WeakPolarHBondContact CB-OG 3.13Å; D50-S74 WeakPolarHBondContact OD2-CA 3.46Å; D50-S74 WeakPolarHBondContact OD2-CB 3.41Å; D50-S74 PolarHBondContact OD2-OG 2.76Å; A53-S74 WeakPolarHBondContact CB-OG 3.33Å; S74-A76 VanDerWaalsContact C-N 3.34Å; S74-A76 WeakPolarHBondContact OG-CB 3.43Å; S74-A76 PolarHBondContact OG-N 3.14Å; S74-A76 VanDerWaalsContact OG-N 3.11Å
75H98.3Very high98.8Very high179 Ų17953.9 Ų53.983%0.82928%0.281SS*.SBendtrans-83.6-8170.1-63.1-57.2000113.7D50D50-H75 HydrophobicContact CB-CB 4.44Å; D50-H75 PolarHBondContact OD2-N 2.95Å
76A98.6Very high98.8Very high14 Ų1455 Ų5512%0.11629%0.285CS..  trans-69.6143.6-179.300000112H46 Q49 D50 S74 V78H46-A76 HydrophobicContact CB-CB 4.47Å; Q49-A76 HydrophobicContact CB-CB 3.66Å; Q49-A76 HydrophobicContact CG-CB 4.35Å; D50-A76 HydrophobicContact CB-CB 4.26Å; S74-A76 VanDerWaalsContact C-N 3.34Å; S74-A76 WeakPolarHBondContact OG-CB 3.43Å; S74-A76 PolarHBondContact OG-N 3.14Å; S74-A76 VanDerWaalsContact OG-N 3.11Å; A76-V78 HydrophobicContact CB-CG2 3.97Å
77V98.6Very high98.8Very high126 Ų12655.1 Ų55.176%0.76429%0.286SS*.  trans-101.5106.2168.1-177.90000107.5Q49Q49-V77 PolarHBondContact NE2-O 3.35Å; Q49-V77 PolarHBondContact OE1-O 2.95Å
78V98.7Very high98.8Very high20 Ų2052.9 Ų52.912%0.12128%0.275CS..  trans-112.6127.6-174.5179.10000110.4A45 A76 Y80 V83A45-V78 HydrophobicContact CB-CG1 3.84Å; A45-V78 HydrophobicContact CB-CG2 4.21Å; A76-V78 HydrophobicContact CB-CG2 3.97Å; V78-Y80 HydrophobicContact CB-CE1 4.21Å; V78-Y80 HydrophobicContact CG1-CD1 4.04Å; V78-Y80 HydrophobicContact CG1-CE1 4.01Å; V78-Y80 PolarHBondContact O-N 2.89Å; V78-V83 HydrophobicContact CG1-CG2 4.03Å
79D98.7Very high98.8Very high92 Ų9259 Ų5949%0.49230%0.298SS..  trans-82.390.1167.9-178.6-13.2000109.4Q81 K82 V83D79-Q81 VanDerWaalsContact C-N 3.26Å; D79-Q81 PolarHBondContact O-N 2.84Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.36Å; D79-Q81 PolarHBondContact OD1-N 3.2Å; D79-K82 HydrophobicContact CB-CB 4.01Å; D79-K82 VanDerWaalsContact CG-CB 3.44Å; D79-K82 PolarHBondContact O-N 3.42Å; D79-K82 PolarHBondContact OD1-N 3.06Å; D79-K82 WeakPolarHBondContact OD2-CB 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.3Å; D79-V83 PolarHBondContact O-N 2.91Å
80Y98.8Very high98.8Very high52 Ų5262 Ų6220%0.20431%0.306CS..Hα-helixtrans-57.8-37.2-179.4-62.8-68000112.8I42 H46 L68 V78 K82 V83 V84 V109 L111I42-Y80 HydrophobicContact CD1-CD1 3.72Å; I42-Y80 HydrophobicContact CD1-CE1 4.39Å; I42-Y80 HydrophobicContact CG1-CD1 4.46Å; I42-Y80 HydrophobicContact CG2-CD1 4.3Å; I42-Y80 HydrophobicContact CG2-CE1 3.91Å; H46-Y80 PolarHBondContact CE1-OH 3.43Å; H46-Y80 AromaticContact NE2-CE1 3.61Å; H46-Y80 AromaticContact NE2-CZ 3.67Å; H46-Y80 PolarHBondContact NE2-OH 2.78Å; L68-Y80 HydrophobicContact CD1-CD1 3.93Å; L68-Y80 HydrophobicContact CD1-CG 4.26Å; V78-Y80 HydrophobicContact CB-CE1 4.21Å; V78-Y80 HydrophobicContact CG1-CD1 4.04Å; V78-Y80 HydrophobicContact CG1-CE1 4.01Å; V78-Y80 PolarHBondContact O-N 2.89Å; Y80-K82 PolarHBondContact O-N 2.88Å; Y80-V83 PolarHBondContact O-N 2.88Å; Y80-V84 WeakPolarHBondContact O-CB 3.39Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 2.94Å; Y80-V109 HydrophobicContact CD2-CG1 4.28Å; Y80-L111 HydrophobicContact CD1-CD1 4.17Å; Y80-L111 HydrophobicContact CE1-CD1 3.7Å; Y80-L111 HydrophobicContact CE2-CD1 4.31Å
81Q98.8Very high98.8Very high74 Ų7461.3 Ų61.335%0.34630%0.3SS..Hα-helixtrans-60.3-49.2178-70-73.5-28.400110.1D79 R85 V107D79-Q81 VanDerWaalsContact C-N 3.26Å; D79-Q81 PolarHBondContact O-N 2.84Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.36Å; D79-Q81 PolarHBondContact OD1-N 3.2Å; Q81-R85 VanDerWaalsContact O-CB 3.29Å; Q81-R85 WeakPolarHBondContact O-CB 3.16Å; Q81-R85 WeakPolarHBondContact O-CD 3.45Å; Q81-R85 WeakPolarHBondContact O-CG 3.22Å; Q81-R85 PolarHBondContact O-N 2.71Å; Q81-R85 VanDerWaalsContact O-N 3.08Å; Q81-V107 PolarHBondContact NE2-O 3.15Å
82K98.9Very high98.8Very high147 Ų14757.4 Ų57.464%0.63928%0.284SS*.Hα-helixtrans-63.9-46.2179.9-176.7179179-178.90112.2D79 Y80 R85 E86D79-K82 HydrophobicContact CB-CB 4.01Å; D79-K82 VanDerWaalsContact CG-CB 3.44Å; D79-K82 PolarHBondContact O-N 3.42Å; D79-K82 PolarHBondContact OD1-N 3.06Å; D79-K82 WeakPolarHBondContact OD2-CB 3.27Å; Y80-K82 PolarHBondContact O-N 2.88Å; K82-R85 PolarHBondContact O-N 3.08Å; K82-E86 VanDerWaalsContact O-CB 3.26Å; K82-E86 WeakPolarHBondContact O-CB 3.46Å; K82-E86 PolarHBondContact O-N 2.88Å
83V98.9Very high98.8Very high31 Ų3156.6 Ų56.619%0.18828%0.279CS..Hα-helixtrans-64.6-45.3-177-179.90000111.5A41 I42 A45 V78 D79 Y80 T87A41-V83 HydrophobicContact CB-CG1 3.76Å; I42-V83 HydrophobicContact CD1-CB 3.86Å; I42-V83 HydrophobicContact CD1-CG1 3.68Å; A45-V83 HydrophobicContact CB-CG1 4.39Å; A45-V83 HydrophobicContact CB-CG2 3.91Å; V78-V83 HydrophobicContact CG1-CG2 4.03Å; D79-V83 WeakPolarHBondContact O-CG2 3.3Å; D79-V83 PolarHBondContact O-N 2.91Å; Y80-V83 PolarHBondContact O-N 2.88Å; V83-T87 WeakPolarHBondContact O-CB 3.5Å; V83-T87 PolarHBondContact O-N 2.96Å; V83-T87 VanDerWaalsContact O-N 3.07Å; V83-T87 PolarHBondContact O-OG1 2.57Å
84V98.9Very high98.8Very high0 Ų057.1 Ų57.10%028%0.279CS..Hα-helixtrans-59.7-51.4176.8168.40000110.7I38 I42 I66 L68 Y80 E86 T87 I88 V107I38-V84 HydrophobicContact CD1-CG1 4.24Å; I38-V84 HydrophobicContact CG2-CG2 3.81Å; I42-V84 HydrophobicContact CD1-CG2 4.42Å; I66-V84 HydrophobicContact CB-CG1 4.02Å; I66-V84 HydrophobicContact CG1-CG1 3.97Å; I66-V84 HydrophobicContact CG2-CG1 3.83Å; L68-V84 HydrophobicContact CD1-CG2 3.9Å; L68-V84 HydrophobicContact CD2-CG2 4.12Å; L68-V84 HydrophobicContact CG-CG2 4.25Å; Y80-V84 WeakPolarHBondContact O-CB 3.39Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 2.94Å; V84-E86 PolarHBondContact O-N 3.41Å; V84-T87 WeakPolarHBondContact O-CB 3.48Å; V84-T87 PolarHBondContact O-N 3.08Å; V84-I88 HydrophobicContact CG1-CD1 3.77Å; V84-I88 WeakPolarHBondContact O-CD1 3.48Å; V84-I88 WeakPolarHBondContact O-CG1 3.5Å; V84-I88 PolarHBondContact O-N 3.17Å; V84-I88 VanDerWaalsContact O-N 3.08Å; V84-V107 HydrophobicContact CB-CG1 4.12Å; V84-V107 HydrophobicContact CB-CG2 4.36Å; V84-V107 HydrophobicContact CG1-CG1 4.02Å; V84-V107 HydrophobicContact CG1-CG2 3.69Å; V84-V107 HydrophobicContact CG2-CG1 4.03Å
85R98.9Very high98.8Very high59 Ų5958.6 Ų58.622%0.22329%0.285CS..Hα-helixtrans-65.5-41-176.2-69.2178.1-170-72.5-4.4112.5Q81 K82 T87 I88 R89 Y102 C105 V107Q81-R85 VanDerWaalsContact O-CB 3.29Å; Q81-R85 WeakPolarHBondContact O-CB 3.16Å; Q81-R85 WeakPolarHBondContact O-CD 3.45Å; Q81-R85 WeakPolarHBondContact O-CG 3.22Å; Q81-R85 PolarHBondContact O-N 2.71Å; Q81-R85 VanDerWaalsContact O-N 3.08Å; K82-R85 PolarHBondContact O-N 3.08Å; R85-T87 VanDerWaalsContact C-N 3.3Å; R85-T87 PolarHBondContact O-N 2.71Å; R85-I88 PolarHBondContact O-N 2.92Å; R85-R89 WeakPolarHBondContact O-CB 3.44Å; R85-R89 PolarHBondContact O-N 3.38Å; R85-Y102 HydrophobicContact CB-CD2 4.21Å; R85-Y102 WeakPolarHBondContact CD-O 3.16Å; R85-Y102 VanDerWaalsContact CG-O 3.3Å; R85-Y102 WeakPolarHBondContact CG-O 3.39Å; R85-Y102 PolarHBondContact NH1-O 3.31Å; R85-Y102 VanDerWaalsContact O-CB 3.3Å; R85-Y102 WeakPolarHBondContact O-CB 3.38Å; R85-C105 VanDerWaalsContact CZ-O 3.31Å; R85-C105 PolarHBondContact NH1-O 3.44Å; R85-C105 PolarHBondContact NH2-O 2.91Å; R85-V107 HydrophobicContact CG-CG2 4.41Å
86E98.9Very high98.8Very high78 Ų7854.6 Ų54.636%0.36428%0.277SS..Hα-helixtrans-64.6-37.5176.5-176.356-148.600111.5K82 V84 R89 Q90K82-E86 VanDerWaalsContact O-CB 3.26Å; K82-E86 WeakPolarHBondContact O-CB 3.46Å; K82-E86 PolarHBondContact O-N 2.88Å; V84-E86 PolarHBondContact O-N 3.41Å; E86-R89 WeakPolarHBondContact O-CB 3.27Å; E86-R89 PolarHBondContact O-N 2.91Å; E86-R89 IonicContact OE1-NE 3.8Å; E86-R89 WeakPolarHBondContact OE2-CD 3.33Å; E86-R89 IonicContact OE2-NE 2.63Å; E86-Q90 VanDerWaalsContact O-CG 3.3Å; E86-Q90 WeakPolarHBondContact O-CG 3.4Å; E86-Q90 PolarHBondContact O-N 3.36Å; E86-Q90 PolarHBondContact OE1-NE2 3.2Å
87T98.9Very high98.8Very high3 Ų357.8 Ų57.82%0.01830%0.299CS..Hα-helixtrans-62.5-47.8175.4-56.40000111.4Q37 I38 A41 V83 V84 R85 R89 Q90 I91Q37-T87 HydrophobicContact CB-CG2 4.05Å; I38-T87 HydrophobicContact CG1-CG2 3.76Å; A41-T87 HydrophobicContact CB-CG2 4.44Å; A41-T87 VanDerWaalsContact CB-OG1 3.27Å; A41-T87 WeakPolarHBondContact CB-OG1 3.37Å; V83-T87 WeakPolarHBondContact O-CB 3.5Å; V83-T87 PolarHBondContact O-N 2.96Å; V83-T87 VanDerWaalsContact O-N 3.07Å; V83-T87 PolarHBondContact O-OG1 2.57Å; V84-T87 WeakPolarHBondContact O-CB 3.48Å; V84-T87 PolarHBondContact O-N 3.08Å; R85-T87 VanDerWaalsContact C-N 3.3Å; R85-T87 PolarHBondContact O-N 2.71Å; T87-R89 VanDerWaalsContact C-N 3.31Å; T87-R89 PolarHBondContact O-N 3.35Å; T87-Q90 PolarHBondContact O-N 2.89Å; T87-I91 HydrophobicContact CG2-CD1 4.22Å; T87-I91 WeakPolarHBondContact O-CG1 3.46Å; T87-I91 PolarHBondContact O-N 3.47Å; T87-I91 VanDerWaalsContact O-N 3.11Å
88I98.9Very high98.8Very high0 Ų053.6 Ų53.60%027%0.27CS..Hα-helixtrans-61.6-40.3177.2-62.4156.7000111.4I38 I66 V84 R85 Q90 I91 G92 Y93 F100I38-I88 HydrophobicContact CD1-CD1 4.44Å; I38-I88 HydrophobicContact CD1-CG1 4.09Å; I66-I88 HydrophobicContact CD1-CD1 4.46Å; I66-I88 HydrophobicContact CG1-CD1 3.89Å; V84-I88 HydrophobicContact CG1-CD1 3.77Å; V84-I88 WeakPolarHBondContact O-CD1 3.48Å; V84-I88 WeakPolarHBondContact O-CG1 3.5Å; V84-I88 PolarHBondContact O-N 3.17Å; V84-I88 VanDerWaalsContact O-N 3.08Å; R85-I88 PolarHBondContact O-N 2.92Å; I88-Q90 PolarHBondContact O-N 2.97Å; I88-I91 PolarHBondContact O-N 3.44Å; I88-G92 PolarHBondContact O-N 3.03Å; I88-G92 VanDerWaalsContact O-N 3.07Å; I88-Y93 PolarHBondContact O-N 3.35Å; I88-F100 HydrophobicContact CD1-CE1 3.84Å; I88-F100 HydrophobicContact CG1-CE1 4.29Å; I88-F100 HydrophobicContact CG2-CD1 3.82Å; I88-F100 HydrophobicContact CG2-CE1 3.94Å
89R98.9Very high98.8Very high128 Ų12853.3 Ų53.348%0.48327%0.271SS..Hα-helixtrans-59.2-45.3175.3176.3-175.7149.4111.6-0.5111.6R85 E86 T87 I91 G92 Y102R85-R89 WeakPolarHBondContact O-CB 3.44Å; R85-R89 PolarHBondContact O-N 3.38Å; E86-R89 WeakPolarHBondContact O-CB 3.27Å; E86-R89 PolarHBondContact O-N 2.91Å; E86-R89 IonicContact OE1-NE 3.8Å; E86-R89 WeakPolarHBondContact OE2-CD 3.33Å; E86-R89 IonicContact OE2-NE 2.63Å; T87-R89 VanDerWaalsContact C-N 3.31Å; T87-R89 PolarHBondContact O-N 3.35Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 PolarHBondContact O-N 3.06Å; R89-G92 WeakPolarHBondContact O-CA 3.37Å; R89-G92 PolarHBondContact O-N 3.24Å; R89-G92 VanDerWaalsContact O-N 3.15Å; R89-Y102 HydrophobicContact CB-CD1 3.62Å; R89-Y102 HydrophobicContact CB-CD2 4.05Å; R89-Y102 HydrophobicContact CB-CE1 3.84Å; R89-Y102 HydrophobicContact CB-CE2 4.25Å; R89-Y102 HydrophobicContact CB-CG 3.74Å; R89-Y102 HydrophobicContact CG-CD1 4.03Å; R89-Y102 HydrophobicContact CG-CE1 3.71Å; R89-Y102 HydrophobicContact CG-CE2 4.39Å; R89-Y102 HydrophobicContact CG-CG 4.5Å; R89-Y102 PolarHBondContact NH1-OH 2.71Å
90Q98.8Very high98.8Very high91 Ų9149.2 Ų49.243%0.42525%0.249SC..Hα-helixtrans-65.4-35.1179.3-721719.200113E86 T87 I88 G92 R170E86-Q90 VanDerWaalsContact O-CG 3.3Å; E86-Q90 WeakPolarHBondContact O-CG 3.4Å; E86-Q90 PolarHBondContact O-N 3.36Å; E86-Q90 PolarHBondContact OE1-NE2 3.2Å; T87-Q90 PolarHBondContact O-N 2.89Å; I88-Q90 PolarHBondContact O-N 2.97Å; Q90-G92 VanDerWaalsContact C-N 3.31Å; Q90-R170 PolarHBondContact O-NH2 3.44Å
91I98.9Very high98.8Very high1 Ų147.3 Ų47.31%0.00524%0.242CC..Hα-helixtrans-63.2-40.8172.8-68.1168.5000110E28 I34 Q37 T87 I88 R89 Y93 R169 P179E28-I91 HydrophobicContact CB-CG1 4.42Å; E28-I91 HydrophobicContact CB-CG2 4.3Å; E28-I91 WeakPolarHBondContact O-CG2 3.45Å; I34-I91 HydrophobicContact CB-CD1 4.33Å; I34-I91 HydrophobicContact CG1-CD1 4.09Å; I34-I91 HydrophobicContact CG2-CD1 4.23Å; Q37-I91 HydrophobicContact CB-CD1 4.45Å; T87-I91 HydrophobicContact CG2-CD1 4.22Å; T87-I91 WeakPolarHBondContact O-CG1 3.46Å; T87-I91 PolarHBondContact O-N 3.47Å; T87-I91 VanDerWaalsContact O-N 3.11Å; I88-I91 PolarHBondContact O-N 3.44Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 PolarHBondContact O-N 3.06Å; I91-Y93 HydrophobicContact CG2-CD2 3.9Å; I91-Y93 HydrophobicContact CG2-CE2 4.16Å; I91-R169 PolarHBondContact O-NH1 2.95Å; I91-R169 PolarHBondContact O-NH2 3Å; I91-P179 HydrophobicContact CG2-CB 3.96Å
92G98.8Very high98.8Very high8 Ų845.9 Ų45.98%0.08223%0.234CC..THydrogen-bonded Turntrans114.219.8173.100000115I88 R89 Q90 D94 K98I88-G92 PolarHBondContact O-N 3.03Å; I88-G92 VanDerWaalsContact O-N 3.07Å; R89-G92 WeakPolarHBondContact O-CA 3.37Å; R89-G92 PolarHBondContact O-N 3.24Å; R89-G92 VanDerWaalsContact O-N 3.15Å; Q90-G92 VanDerWaalsContact C-N 3.31Å; G92-D94 PolarHBondContact O-N 3.22Å; G92-K98 WeakPolarHBondContact O-CD 3.23Å; G92-K98 PolarHBondContact O-NZ 2.9Å; G92-K98 VanDerWaalsContact O-NZ 3.13Å
93Y98.8Very high98.8Very high0 Ų044 Ų440%023%0.225CC..  trans-88.594.4168.4-77.9-65000109.9G29 I34 I88 I91 K98 F100 Y102 P179 D180 Q209 G255G29-Y93 WeakPolarHBondContact O-CE2 3.22Å; G29-Y93 PolarHBondContact O-OH 3.03Å; I34-Y93 HydrophobicContact CD1-CD2 3.97Å; I34-Y93 HydrophobicContact CD1-CE2 3.56Å; I34-Y93 HydrophobicContact CG1-CE2 4.42Å; I88-Y93 PolarHBondContact O-N 3.35Å; I91-Y93 HydrophobicContact CG2-CD2 3.9Å; I91-Y93 HydrophobicContact CG2-CE2 4.16Å; Y93-K98 HydrophobicContact CD1-CB 4.04Å; Y93-K98 HydrophobicContact CE1-CB 4.41Å; Y93-K98 WeakPolarHBondContact CE1-O 3.49Å; Y93-F100 CarbonylContact C-O 3.52Å; Y93-F100 WeakPolarHBondContact CB-O 3.32Å; Y93-F100 HydrophobicContact CD1-CB 3.66Å; Y93-F100 HydrophobicContact CE1-CB 4.23Å; Y93-F100 HydrophobicContact CG-CB 3.88Å; Y93-F100 HydrophobicContact CG-CD1 4.47Å; Y93-Y102 PolarHBondContact O-N 2.78Å; Y93-P179 HydrophobicContact CD1-CG 4.27Å; Y93-P179 HydrophobicContact CD2-CB 4.22Å; Y93-P179 HydrophobicContact CD2-CG 4.22Å; Y93-P179 HydrophobicContact CE1-CB 4.47Å; Y93-P179 HydrophobicContact CE1-CG 4.17Å; Y93-P179 HydrophobicContact CE2-CB 3.76Å; Y93-P179 HydrophobicContact CE2-CG 4.12Å; Y93-P179 HydrophobicContact CG-CG 4.29Å; Y93-D180 WeakPolarHBondContact OH-CB 3.3Å; Y93-Q209 PolarHBondContact OH-OE1 2.89Å; Y93-G255 WeakPolarHBondContact OH-CA 3.24Å; Y93-G255 PolarHBondContact OH-N 3.24Å
94D98.7Very high98.8Very high63 Ų6347.7 Ų47.734%0.33725%0.248SC..EExtended strand (participates in β ladder)trans-13411.8-167.760.83.4000112.9G92 K98 Y102 K103G92-D94 PolarHBondContact O-N 3.22Å; D94-K98 WeakPolarHBondContact OD1-CD 3.4Å; D94-K98 VanDerWaalsContact OD1-CE 3.23Å; D94-K98 WeakPolarHBondContact OD1-CE 3.01Å; D94-K98 IonicContact OD1-NZ 2.62Å; D94-K98 PolarHBondContact OD1-NZ 2.71Å; D94-K98 IonicContact OD2-NZ 3.91Å; D94-K98 PolarHBondContact OD2-NZ 2.83Å; D94-Y102 HydrophobicContact CB-CD1 3.98Å; D94-Y102 HydrophobicContact CB-CE1 3.86Å; D94-K103 PolarHBondContact O-NZ 2.82Å
95D98.8Very high98.8Very high65 Ų6548 Ų4835%0.34825%0.25SS..EExtended strand (participates in β ladder)trans-160.5146.3177.7-168.3-97.7000111.2S97 K98 F100D95-S97 PolarHBondContact O-N 3.02Å; D95-S97 WeakPolarHBondContact OD1-CB 3.43Å; D95-S97 PolarHBondContact OD1-N 3.42Å; D95-S97 PolarHBondContact OD1-OG 2.83Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 3.33Å; D95-F100 VanDerWaalsContact O-O 3.08Å
96S98.3Very high98.8Very high95 Ų9549 Ų4966%0.66426%0.26SS*.G310 helixtrans-58.2-28.617746.90000113.6K98 G99S96-K98 PolarHBondContact O-N 2.81Å; S96-G99 PolarHBondContact O-N 3.34Å
97S98.4Very high98.8Very high81 Ų8145.6 Ų45.657%0.56625%0.245SC*.G310 helixtrans-62.5-18174.661.80000113.6D95D95-S97 PolarHBondContact O-N 3.02Å; D95-S97 WeakPolarHBondContact OD1-CB 3.43Å; D95-S97 PolarHBondContact OD1-N 3.42Å; D95-S97 PolarHBondContact OD1-OG 2.83Å
98K98.7Very high98.8Very high38 Ų3848.9 Ų48.917%0.16526%0.262CS..G310 helixtrans-92-1.5174.8-54.6-173.8174.1166.80112.9G92 Y93 D94 D95 S96 F100 Q209G92-K98 WeakPolarHBondContact O-CD 3.23Å; G92-K98 PolarHBondContact O-NZ 2.9Å; G92-K98 VanDerWaalsContact O-NZ 3.13Å; Y93-K98 HydrophobicContact CD1-CB 4.04Å; Y93-K98 HydrophobicContact CE1-CB 4.41Å; Y93-K98 WeakPolarHBondContact CE1-O 3.49Å; D94-K98 WeakPolarHBondContact OD1-CD 3.4Å; D94-K98 VanDerWaalsContact OD1-CE 3.23Å; D94-K98 WeakPolarHBondContact OD1-CE 3.01Å; D94-K98 IonicContact OD1-NZ 2.62Å; D94-K98 PolarHBondContact OD1-NZ 2.71Å; D94-K98 IonicContact OD2-NZ 3.91Å; D94-K98 PolarHBondContact OD2-NZ 2.83Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 3.33Å; S96-K98 PolarHBondContact O-N 2.81Å; K98-F100 VanDerWaalsContact C-N 3.31Å; K98-Q209 PolarHBondContact O-NE2 3.48Å; K98-Q209 VanDerWaalsContact O-NE2 3.07Å
99G98.6Very high98.7Very high13 Ų1352 Ų5213%0.13428%0.281CS..THydrogen-bonded Turntrans85.1-5.9-176.600000114.8S96 Q257S96-G99 PolarHBondContact O-N 3.34Å; G99-Q257 VanDerWaalsContact CA-OE1 3.29Å
100F98.8Very high98.7Very high6 Ų648.7 Ų48.73%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-158.4143178.3-153.2-96.4000111.3K62 I66 I88 Y93 D95 K98 C105 P256K62-F100 WeakPolarHBondContact O-CE2 3.45Å; I66-F100 HydrophobicContact CD1-CE1 4.34Å; I66-F100 HydrophobicContact CD1-CZ 3.87Å; I66-F100 HydrophobicContact CG1-CE1 4.47Å; I66-F100 HydrophobicContact CG1-CZ 4.04Å; I88-F100 HydrophobicContact CD1-CE1 3.84Å; I88-F100 HydrophobicContact CG1-CE1 4.29Å; I88-F100 HydrophobicContact CG2-CD1 3.82Å; I88-F100 HydrophobicContact CG2-CE1 3.94Å; Y93-F100 CarbonylContact C-O 3.52Å; Y93-F100 WeakPolarHBondContact CB-O 3.32Å; Y93-F100 HydrophobicContact CD1-CB 3.66Å; Y93-F100 HydrophobicContact CE1-CB 4.23Å; Y93-F100 HydrophobicContact CG-CB 3.88Å; Y93-F100 HydrophobicContact CG-CD1 4.47Å; D95-F100 VanDerWaalsContact O-O 3.08Å; K98-F100 VanDerWaalsContact C-N 3.31Å; F100-C105 HydrophobicContact CE1-CB 3.95Å; F100-C105 HydrophobicContact CE2-CB 4.43Å; F100-C105 HydrophobicContact CZ-CB 3.8Å; F100-P256 HydrophobicContact CD2-CB 3.81Å; F100-P256 HydrophobicContact CD2-CG 3.74Å; F100-P256 HydrophobicContact CE2-CB 3.82Å; F100-P256 HydrophobicContact CE2-CG 3.84Å; F100-P256 HydrophobicContact CG-CG 4.17Å; F100-P256 HydrophobicContact CZ-CG 4.35Å
101D98.8Very high98.7Very high12 Ų1246.1 Ų46.16%0.06427%0.269CS..EExtended strand (participates in β ladder)trans-143.4122.6-177.3171.726.2000111.8K103 T104 C105D101-K103 PolarHBondContact O-N 2.72Å; D101-K103 PolarHBondContact OD1-N 3.23Å; D101-K103 IonicContact OD1-NZ 3.34Å; D101-K103 PolarHBondContact OD1-NZ 3Å; D101-K103 IonicContact OD2-NZ 2.83Å; D101-K103 PolarHBondContact OD2-NZ 3.5Å; D101-T104 WeakPolarHBondContact CB-OG1 3.44Å; D101-T104 PolarHBondContact O-N 2.86Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.41Å; D101-T104 PolarHBondContact OD2-OG1 3.43Å; D101-C105 WeakPolarHBondContact O-CB 3.4Å; D101-C105 PolarHBondContact O-N 3.23Å
102Y98.9Very high98.7Very high45 Ų4553.3 Ų53.318%0.17630%0.303CS..THydrogen-bonded Turntrans-59.2-25.7178.180.9-92.3000114.3R85 R89 Y93 D94R85-Y102 HydrophobicContact CB-CD2 4.21Å; R85-Y102 WeakPolarHBondContact CD-O 3.16Å; R85-Y102 VanDerWaalsContact CG-O 3.3Å; R85-Y102 WeakPolarHBondContact CG-O 3.39Å; R85-Y102 PolarHBondContact NH1-O 3.31Å; R85-Y102 VanDerWaalsContact O-CB 3.3Å; R85-Y102 WeakPolarHBondContact O-CB 3.38Å; R89-Y102 HydrophobicContact CB-CD1 3.62Å; R89-Y102 HydrophobicContact CB-CD2 4.05Å; R89-Y102 HydrophobicContact CB-CE1 3.84Å; R89-Y102 HydrophobicContact CB-CE2 4.25Å; R89-Y102 HydrophobicContact CB-CG 3.74Å; R89-Y102 HydrophobicContact CG-CD1 4.03Å; R89-Y102 HydrophobicContact CG-CE1 3.71Å; R89-Y102 HydrophobicContact CG-CE2 4.39Å; R89-Y102 HydrophobicContact CG-CG 4.5Å; R89-Y102 PolarHBondContact NH1-OH 2.71Å; Y93-Y102 PolarHBondContact O-N 2.78Å; D94-Y102 HydrophobicContact CB-CD1 3.98Å; D94-Y102 HydrophobicContact CB-CE1 3.86Å
103K98.8Very high98.7Very high106 Ų10660.1 Ų60.146%0.46133%0.333SS..THydrogen-bonded Turntrans-75.8-30.9-177.2-61.8179.1-64-590112.4D94 D101D94-K103 PolarHBondContact O-NZ 2.82Å; D101-K103 PolarHBondContact O-N 2.72Å; D101-K103 PolarHBondContact OD1-N 3.23Å; D101-K103 IonicContact OD1-NZ 3.34Å; D101-K103 PolarHBondContact OD1-NZ 3Å; D101-K103 IonicContact OD2-NZ 2.83Å; D101-K103 PolarHBondContact OD2-NZ 3.5Å
104T98.8Very high98.7Very high109 Ų10960.9 Ų60.967%0.66934%0.336SS*.THydrogen-bonded Turntrans-119.7-13.4-166.552.50000113.5D101D101-T104 WeakPolarHBondContact CB-OG1 3.44Å; D101-T104 PolarHBondContact O-N 2.86Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.41Å; D101-T104 PolarHBondContact OD2-OG1 3.43Å
105C98.7Very high98.7Very high6 Ų660 Ų604%0.04134%0.335CS..  trans-62.3146.7178.171.40000112.3R85 F100 D101R85-C105 VanDerWaalsContact CZ-O 3.31Å; R85-C105 PolarHBondContact NH1-O 3.44Å; R85-C105 PolarHBondContact NH2-O 2.91Å; F100-C105 HydrophobicContact CE1-CB 3.95Å; F100-C105 HydrophobicContact CE2-CB 4.43Å; F100-C105 HydrophobicContact CZ-CB 3.8Å; D101-C105 WeakPolarHBondContact O-CB 3.4Å; D101-C105 PolarHBondContact O-N 3.23Å
106N98.9Very high98.7Very high81 Ų8161.5 Ų61.543%0.43335%0.348SS..EExtended strand (participates in β ladder)trans-71.7138.3168.2-172.119.3000109.8G64 M65 I66 L108G64-N106 WeakPolarHBondContact O-CB 3.5Å; G64-N106 PolarHBondContact O-N 3.37Å; M65-N106 WeakPolarHBondContact CA-O 3.48Å; I66-N106 PolarHBondContact N-O 2.88Å; N106-L108 WeakPolarHBondContact ND2-CD2 3.24Å; N106-L108 WeakPolarHBondContact ND2-CG 3.38Å
107V98.9Very high98.7Very high6 Ų662.9 Ų62.94%0.03635%0.348CS..EExtended strand (participates in β ladder)trans-127.2109.2173.9178.60000106.9I66 Q81 V84 R85I66-V107 CarbonylContact O-C 3.51Å; I66-V107 WeakPolarHBondContact O-CA 3.37Å; Q81-V107 PolarHBondContact NE2-O 3.15Å; V84-V107 HydrophobicContact CB-CG1 4.12Å; V84-V107 HydrophobicContact CB-CG2 4.36Å; V84-V107 HydrophobicContact CG1-CG1 4.02Å; V84-V107 HydrophobicContact CG1-CG2 3.69Å; V84-V107 HydrophobicContact CG2-CG1 4.03Å; R85-V107 HydrophobicContact CG-CG2 4.41Å
108L98.9Very high98.6Very high73 Ų7362.2 Ų62.238%0.38234%0.338SS..EExtended strand (participates in β ladder)trans-100.5140.5178.6-62.6174000109.1M65 I66 L67 L68 N106M65-L108 HydrophobicContact CG-CD1 4.25Å; M65-L108 HydrophobicContact SD-CD1 3.95Å; I66-L108 PolarHBondContact O-N 3.2Å; L67-L108 WeakPolarHBondContact CA-O 3.27Å; L67-L108 HydrophobicContact CD1-CB 3.75Å; L68-L108 PolarHBondContact N-O 3.15Å; N106-L108 WeakPolarHBondContact ND2-CD2 3.24Å; N106-L108 WeakPolarHBondContact ND2-CG 3.38Å
109V98.8Very high98.6Very high66 Ų6661 Ų6140%0.434%0.335SS..EExtended strand (participates in β ladder)trans-127.5119-179-1740000108.5L68 Y80 L111L68-V109 HydrophobicContact CD1-CG2 4.32Å; Y80-V109 HydrophobicContact CD2-CG1 4.28Å; V109-L111 HydrophobicContact CG1-CB 4.14Å; V109-L111 HydrophobicContact CG1-CD1 3.81Å; V109-L111 HydrophobicContact CG1-CG 3.81Å
110A98.8Very high98.6Very high58 Ų5866.3 Ų66.348%0.47936%0.356SS..EExtended strand (participates in β ladder)trans-127.859.117600000108.7L67 L68 A69 G70L67-A110 HydrophobicContact CD1-CB 4.19Å; L68-A110 PolarHBondContact O-N 2.71Å; A69-A110 WeakPolarHBondContact CA-O 3.38Å; G70-A110 PolarHBondContact N-O 3.09Å
111L98.8Very high98.5Very high36 Ų3667.2 Ų67.219%0.18837%0.367CS..EExtended strand (participates in β ladder)trans-102130.7179.4-64.4173.8000110L68 G70 V72 Y80 V109L68-L111 HydrophobicContact CB-CD1 4.34Å; L68-L111 HydrophobicContact CB-CD2 4.4Å; L68-L111 HydrophobicContact CB-CG 4.29Å; L68-L111 HydrophobicContact CD1-CD1 4.46Å; G70-L111 WeakPolarHBondContact O-CA 3.4Å; V72-L111 HydrophobicContact CG2-CD1 4.24Å; V72-L111 HydrophobicContact CG2-CD2 4.33Å; Y80-L111 HydrophobicContact CD1-CD1 4.17Å; Y80-L111 HydrophobicContact CE1-CD1 3.7Å; Y80-L111 HydrophobicContact CE2-CD1 4.31Å; V109-L111 HydrophobicContact CG1-CB 4.14Å; V109-L111 HydrophobicContact CG1-CD1 3.81Å; V109-L111 HydrophobicContact CG1-CG 3.81Å
112E98.7Very high98.5Very high152 Ų15266.7 Ų66.771%0.7136%0.364SS*.EExtended strand (participates in β ladder)trans-115.9179.3174.9-66.9-174178.500110.8G70 E71 V72G70-E112 PolarHBondContact O-N 3.08Å; E71-E112 CarbonylContact C-O 3.52Å; E71-E112 VanDerWaalsContact CA-O 3.32Å; E71-E112 WeakPolarHBondContact CA-O 3.42Å; V72-E112 PolarHBondContact N-O 3.45Å
113Q98.5Very high98.4Very high152 Ų15266.4 Ų66.471%0.7137%0.365SS*.PPolyproline II helixtrans-74.9153.3172.5-67.1-173.9-15.800110.8S115Q113-S115 PolarHBondContact O-N 3.45Å
114Q98.4Very high98.4Very high16 Ų1665.1 Ų65.18%0.07536%0.362CS..PPolyproline II helixtrans-55.4135.4167.1-175.8-178.84700109.9T73 I118 H123T73-Q114 WeakPolarHBondContact OG1-CB 3.41Å; T73-Q114 PolarHBondContact OG1-N 2.89Å; Q114-I118 HydrophobicContact CG-CB 4.46Å; Q114-I118 HydrophobicContact CG-CG2 4.43Å; Q114-H123 PolarHBondContact OE1-NE2 3.22Å
115S98.6Very high98.3Very high44 Ų4468 Ų6831%0.30837%0.373SS..PPolyproline II helixtrans-49126.5173.9170.80000111.4Q113 D117 I118 A119Q113-S115 PolarHBondContact O-N 3.45Å; S115-D117 PolarHBondContact O-N 3.04Å; S115-D117 PolarHBondContact OG-N 2.92Å; S115-I118 PolarHBondContact O-N 2.67Å; S115-I118 VanDerWaalsContact O-N 3.12Å; S115-A119 PolarHBondContact O-N 3.35Å
116P98.1Very high98.2Very high96 Ų9672 Ų7262%0.62339%0.388SS*.Hα-helixtrans-57.3-31.4174.5-26.535.5000113.3I118 A119 Q120P116-I118 VanDerWaalsContact C-N 3.35Å; P116-A119 PolarHBondContact O-N 2.69Å; P116-Q120 WeakPolarHBondContact O-CG 3.35Å; P116-Q120 PolarHBondContact O-N 3.18Å
117D98.4Very high98.1Very high125 Ų12571 Ų7167%0.66839%0.386SS*.Hα-helixtrans-68.2-35178.7-62.9-27.5000112S115 Q120S115-D117 PolarHBondContact O-N 3.04Å; S115-D117 PolarHBondContact OG-N 2.92Å; D117-Q120 WeakPolarHBondContact O-CG 3.46Å; D117-Q120 PolarHBondContact O-NE2 3.3Å
118I97.6Very high98Very high67 Ų6775 Ų7534%0.34441%0.405SS..Hα-helixtrans-71.5-46.2171.7-63.1176.5000109.3Q114 S115 P116 Q120 G121 V122Q114-I118 HydrophobicContact CG-CB 4.46Å; Q114-I118 HydrophobicContact CG-CG2 4.43Å; S115-I118 PolarHBondContact O-N 2.67Å; S115-I118 VanDerWaalsContact O-N 3.12Å; P116-I118 VanDerWaalsContact C-N 3.35Å; I118-Q120 PolarHBondContact O-N 3.21Å; I118-G121 PolarHBondContact O-N 3.02Å; I118-V122 HydrophobicContact CG2-CG2 4.04Å; I118-V122 WeakPolarHBondContact O-CB 3.47Å; I118-V122 WeakPolarHBondContact O-CG2 3.26Å; I118-V122 PolarHBondContact O-N 3.18Å
119A98.3Very high97.8Very high12 Ų1275.4 Ų75.410%0.09941%0.405CS..Hα-helixtrans-57.7-49.1-177.400000112S115 P116 G121 V122 H123 I124S115-A119 PolarHBondContact O-N 3.35Å; P116-A119 PolarHBondContact O-N 2.69Å; A119-G121 VanDerWaalsContact C-N 3.3Å; A119-G121 PolarHBondContact O-N 2.82Å; A119-V122 PolarHBondContact O-N 3.32Å; A119-H123 WeakPolarHBondContact CA-NE2 3.27Å; A119-H123 WeakPolarHBondContact CB-NE2 3.41Å; A119-H123 PolarHBondContact O-N 2.99Å; A119-I124 HydrophobicContact CB-CD1 4.48Å; A119-I124 HydrophobicContact CB-CG1 4.03Å; A119-I124 WeakPolarHBondContact O-CG1 3.43Å; A119-I124 PolarHBondContact O-N 3.06Å
120Q97.8Very high97.8Very high124 Ų12475.5 Ų75.558%0.57940%0.403SS*.Hα-helixtrans-63-33.8-179.568.777.638.200113.3P116 D117 I118P116-Q120 WeakPolarHBondContact O-CG 3.35Å; P116-Q120 PolarHBondContact O-N 3.18Å; D117-Q120 WeakPolarHBondContact O-CG 3.46Å; D117-Q120 PolarHBondContact O-NE2 3.3Å; I118-Q120 PolarHBondContact O-N 3.21Å
121G97.4Very high97.7Very high26 Ų2673 Ų7327%0.26838%0.382SS..Hα-helixtrans-77.9-23.6178.100000113.7I118 A119 R126 G324I118-G121 PolarHBondContact O-N 3.02Å; A119-G121 VanDerWaalsContact C-N 3.3Å; A119-G121 PolarHBondContact O-N 2.82Å; G121-R126 PolarHBondContact O-NH1 3.45Å; G121-G324 VanDerWaalsContact O-CA 3.22Å; G121-G324 WeakPolarHBondContact O-CA 3.27Å
122V98.3Very high97.7Very high0 Ų071.3 Ų71.30%037%0.373CS..Hα-helixtrans-104.4-52.2-168.9174.60000112.6I118 A119 R126 V131 G132 I323I118-V122 HydrophobicContact CG2-CG2 4.04Å; I118-V122 WeakPolarHBondContact O-CB 3.47Å; I118-V122 WeakPolarHBondContact O-CG2 3.26Å; I118-V122 PolarHBondContact O-N 3.18Å; A119-V122 PolarHBondContact O-N 3.32Å; V122-R126 WeakPolarHBondContact O-CD 3.37Å; V122-V131 HydrophobicContact CG1-CG2 4.29Å; V122-V131 WeakPolarHBondContact O-CG2 3.43Å; V122-G132 PolarHBondContact O-N 2.98Å; V122-I323 HydrophobicContact CG2-CD1 4.44Å; V122-I323 HydrophobicContact CG2-CG1 3.99Å
123H98Very high97.6Very high39 Ų3964 Ų6418%0.18134%0.339CS..THydrogen-bonded Turntrans-136.6-22.5-164.464.985.3000116.6Q114 A119 D125 R126 V131Q114-H123 PolarHBondContact OE1-NE2 3.22Å; A119-H123 WeakPolarHBondContact CA-NE2 3.27Å; A119-H123 WeakPolarHBondContact CB-NE2 3.41Å; A119-H123 PolarHBondContact O-N 2.99Å; H123-D125 PolarHBondContact O-N 3.32Å; H123-R126 PolarHBondContact O-N 3.05Å; H123-V131 HydrophobicContact CB-CG2 3.8Å
124I97.6Very high97.6Very high80 Ų8057.3 Ų57.341%0.4131%0.31SS..THydrogen-bonded Turntrans-64.6136178.1-57.3-63.4000110.2A119 R126A119-I124 HydrophobicContact CB-CD1 4.48Å; A119-I124 HydrophobicContact CB-CG1 4.03Å; A119-I124 WeakPolarHBondContact O-CG1 3.43Å; A119-I124 PolarHBondContact O-N 3.06Å; I124-R126 PolarHBondContact O-N 2.91Å; I124-R126 VanDerWaalsContact O-N 3.12Å
125D96.8Very high97.6Very high168 Ų16860.2 Ų60.290%0.89833%0.326SS*.THydrogen-bonded Turntrans55.424.8179.9-58.3-36.9000115.2H123H123-D125 PolarHBondContact O-N 3.32Å
126R97.1Very high97.5Very high92 Ų9264.5 Ų64.535%0.34734%0.341SS..  trans-113.2148.6176.2-63.5179.384.2162.76.9111.6G121 V122 H123 I124 D130 G324G121-R126 PolarHBondContact O-NH1 3.45Å; V122-R126 WeakPolarHBondContact O-CD 3.37Å; H123-R126 PolarHBondContact O-N 3.05Å; I124-R126 PolarHBondContact O-N 2.91Å; I124-R126 VanDerWaalsContact O-N 3.12Å; R126-D130 PolarHBondContact NE-O 3.46Å; R126-D130 PolarHBondContact NH2-O 2.89Å; R126-G324 PolarHBondContact NH1-O 2.96Å; R126-G324 PolarHBondContact NH2-O 3.18Å
127S96.9Very high97.5Very high58 Ų5861.1 Ų61.141%0.40632%0.324SS..  trans-63.1151167.881.60000109.4E129 D130 V131S127-E129 PolarHBondContact O-N 3.08Å; S127-D130 CarbonylContact O-C 3.54Å; S127-D130 PolarHBondContact O-N 3.36Å; S127-D130 WeakPolarHBondContact OG-CB 3.48Å; S127-D130 PolarHBondContact OG-N 3.47Å; S127-D130 VanDerWaalsContact OG-N 3.11Å; S127-D130 PolarHBondContact OG-OD2 3.07Å; S127-V131 PolarHBondContact O-N 2.9Å; S127-V131 VanDerWaalsContact O-N 3.09Å
128Q95.3Very high97.5Very high90 Ų9058.6 Ų58.642%0.42131%0.31SS..SBendtrans-60.3-36.9177.8-174.3-179.6-56.300111.7D130 V131 G359Q128-D130 VanDerWaalsContact C-N 3.33Å; Q128-D130 PolarHBondContact O-N 2.89Å; Q128-V131 VanDerWaalsContact O-CG1 3.27Å; Q128-V131 WeakPolarHBondContact O-CG1 3.29Å; Q128-V131 PolarHBondContact O-N 3.33Å; Q128-G359 WeakPolarHBondContact O-CA 3.34Å
129E96.3Very high97.5Very high83 Ų8355.6 Ų55.639%0.38830%0.295SS..THydrogen-bonded Turntrans-67.1-34.1-180-63.9-163.6155.200112.8S127 R363S127-E129 PolarHBondContact O-N 3.08Å; E129-R363 IonicContact OE1-CZ 2.81Å; E129-R363 IonicContact OE1-NH1 2.81Å; E129-R363 PolarHBondContact OE1-NH1 3.36Å; E129-R363 IonicContact OE1-NH2 2.71Å
130D97.1Very high97.6Very high68 Ų6856.3 Ų56.336%0.36430%0.296SS..THydrogen-bonded Turntrans-101.818-178.3-58.8-54.5000113.2R126 S127 Q128 G132 R357R126-D130 PolarHBondContact NE-O 3.46Å; R126-D130 PolarHBondContact NH2-O 2.89Å; S127-D130 CarbonylContact O-C 3.54Å; S127-D130 PolarHBondContact O-N 3.36Å; S127-D130 WeakPolarHBondContact OG-CB 3.48Å; S127-D130 PolarHBondContact OG-N 3.47Å; S127-D130 VanDerWaalsContact OG-N 3.11Å; S127-D130 PolarHBondContact OG-OD2 3.07Å; Q128-D130 VanDerWaalsContact C-N 3.33Å; Q128-D130 PolarHBondContact O-N 2.89Å; D130-G132 PolarHBondContact O-N 3.12Å; D130-R357 IonicContact OD1-CZ 2.77Å; D130-R357 IonicContact OD1-NH1 2.99Å; D130-R357 PolarHBondContact OD1-NH1 2.93Å
131V97.8Very high97.6Very high5 Ų550.4 Ų50.43%0.0327%0.268CS..PPolyproline II helixtrans-54.6132.3169.571.50000109.1V122 H123 S127 Q128 Y288 T289 A326 P358V122-V131 HydrophobicContact CG1-CG2 4.29Å; V122-V131 WeakPolarHBondContact O-CG2 3.43Å; H123-V131 HydrophobicContact CB-CG2 3.8Å; S127-V131 PolarHBondContact O-N 2.9Å; S127-V131 VanDerWaalsContact O-N 3.09Å; Q128-V131 VanDerWaalsContact O-CG1 3.27Å; Q128-V131 WeakPolarHBondContact O-CG1 3.29Å; Q128-V131 PolarHBondContact O-N 3.33Å; V131-Y288 HydrophobicContact CG1-CE2 4.25Å; V131-T289 HydrophobicContact CG2-CG2 4.31Å; V131-A326 WeakPolarHBondContact O-CB 3.37Å; V131-P358 HydrophobicContact CG1-CB 4.22Å
132G97.9Very high97.7Very high0 Ų049.1 Ų49.10%026%0.255CS..PPolyproline II helixtrans-67.3158.1177.100000111.4V122 D130 G134V122-G132 PolarHBondContact O-N 2.98Å; D130-G132 PolarHBondContact O-N 3.12Å; G132-G134 PolarHBondContact O-N 3.24Å
133A98.4Very high97.7Very high0 Ų049.1 Ų49.10%026%0.255CS..BIsolated β-bridgetrans-57.6133.9163.700000109.7D135 V291 Y321 I323 G324 V325 P358A133-D135 WeakPolarHBondContact CB-O 3.29Å; A133-D135 PolarHBondContact O-N 3.12Å; A133-V291 HydrophobicContact CB-CB 4.5Å; A133-V291 HydrophobicContact CB-CG1 3.6Å; A133-V291 HydrophobicContact CB-CG2 4.09Å; A133-Y321 HydrophobicContact CB-CD1 3.96Å; A133-Y321 HydrophobicContact CB-CG 3.96Å; A133-I323 WeakPolarHBondContact O-CA 3.49Å; A133-G324 PolarHBondContact O-N 2.69Å; A133-V325 WeakPolarHBondContact CB-O 3.43Å; A133-V325 PolarHBondContact N-O 2.98Å; A133-P358 HydrophobicContact CB-CG 4.5Å
134G97.4Very high97.8Very high10 Ų1047.3 Ų47.310%0.10325%0.247CC..SBendtrans-67.5-15.3-178.900000114.3G132 T289G132-G134 PolarHBondContact O-N 3.24Å; G134-T289 WeakPolarHBondContact CA-O 3.31Å; G134-T289 PolarHBondContact N-O 2.99Å
135D97.6Very high97.8Very high77 Ų7746.1 Ų46.141%0.41224%0.241SC..SBendtrans-156.5168.9173.1-159.9-1.7000109.6A133A133-D135 WeakPolarHBondContact CB-O 3.29Å; A133-D135 PolarHBondContact O-N 3.12Å
136Q96.9Very high97.9Very high134 Ų13439.3 Ų39.363%0.62620%0.204SC*.  trans-73.3160.9160.365.6171.548.100111Y321Q136-Y321 VanDerWaalsContact CA-O 3.23Å; Q136-Y321 WeakPolarHBondContact CA-O 3.21Å; Q136-Y321 WeakPolarHBondContact CB-O 3.34Å
137G98Very high97.9Very high25 Ų2535.9 Ų35.926%0.25819%0.193SC..EExtended strand (participates in β ladder)trans159.2179.4171.100000112.6S320 Y321G137-S320 CarbonylContact O-C 3.58Å; G137-S320 WeakPolarHBondContact O-CA 3.43Å; G137-S320 VanDerWaalsContact O-CB 3.27Å; G137-S320 WeakPolarHBondContact O-CB 3.32Å; G137-Y321 PolarHBondContact N-O 3.14Å; G137-Y321 VanDerWaalsContact N-O 3.11Å; G137-Y321 PolarHBondContact O-N 3.07Å
138L98.5Very high97.9Very high72 Ų7239.8 Ų39.838%0.37721%0.209SC..EExtended strand (participates in β ladder)trans-129142.8175.96098.5000109.2F140 G279 V319L138-F140 HydrophobicContact CD1-CD2 4.19Å; L138-F140 HydrophobicContact CD1-CE2 3.36Å; L138-F140 HydrophobicContact CD1-CZ 4.01Å; L138-G279 VanDerWaalsContact CD1-CA 3.43Å; L138-G279 WeakPolarHBondContact O-CA 3.37Å; L138-V319 CarbonylContact C-O 3.52Å; L138-V319 VanDerWaalsContact CA-O 3.31Å; L138-V319 WeakPolarHBondContact CA-O 3.24Å
139M98.9Very high98Very high5 Ų537.8 Ų37.83%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-136.6154.3-175.4-5881.9-151.600109.8V291 D292 A295 A296 Q318 V319 Y321M139-V291 HydrophobicContact CE-CB 4.27Å; M139-V291 HydrophobicContact CE-CG2 3.74Å; M139-V291 WeakPolarHBondContact CG-O 3.31Å; M139-V291 HydrophobicContact SD-CB 4.33Å; M139-V291 HydrophobicContact SD-CG2 4.32Å; M139-D292 WeakPolarHBondContact CE-OD1 3.25Å; M139-A295 HydrophobicContact CB-CB 4.49Å; M139-A295 HydrophobicContact CG-CB 4.25Å; M139-A295 HydrophobicContact SD-CB 4.11Å; M139-A296 HydrophobicContact CB-CB 4.2Å; M139-A296 HydrophobicContact CG-CB 4.46Å; M139-Q318 WeakPolarHBondContact O-CA 3.43Å; M139-V319 HydrophobicContact CB-CG2 3.92Å; M139-V319 PolarHBondContact N-O 3.32Å; M139-V319 PolarHBondContact O-N 2.91Å; M139-Y321 HydrophobicContact SD-CD2 4.06Å; M139-Y321 HydrophobicContact SD-CE2 4.32Å
140F98.9Very high98.2Very high26 Ų2634 Ų3411%0.11418%0.182CC..EExtended strand (participates in β ladder)trans-128.3138-178.1-66.3-88.3000113.4L138 Y272 A277 L316 V317 Q318L138-F140 HydrophobicContact CD1-CD2 4.19Å; L138-F140 HydrophobicContact CD1-CE2 3.36Å; L138-F140 HydrophobicContact CD1-CZ 4.01Å; F140-Y272 PolarHBondContact O-OH 3.19Å; F140-A277 HydrophobicContact CB-CB 4.41Å; F140-A277 WeakPolarHBondContact CB-O 3.43Å; F140-A277 HydrophobicContact CD1-CB 3.75Å; F140-A277 HydrophobicContact CD2-CB 3.82Å; F140-A277 HydrophobicContact CE1-CB 3.76Å; F140-A277 HydrophobicContact CE2-CB 3.84Å; F140-A277 HydrophobicContact CG-CB 3.75Å; F140-A277 HydrophobicContact CZ-CB 3.8Å; F140-L316 HydrophobicContact CB-CD1 3.99Å; F140-L316 HydrophobicContact CD1-CD1 3.73Å; F140-L316 HydrophobicContact CD1-CD2 4.14Å; F140-L316 HydrophobicContact CD1-CG 3.97Å; F140-L316 HydrophobicContact CE1-CD2 4.27Å; F140-L316 HydrophobicContact CG-CD1 4.23Å; F140-V317 CarbonylContact C-O 3.55Å; F140-V317 WeakPolarHBondContact CA-O 3.4Å; F140-Q318 HydrophobicContact CD1-CB 3.8Å; F140-Q318 HydrophobicContact CD1-CG 3.97Å; F140-Q318 HydrophobicContact CE1-CB 3.59Å; F140-Q318 HydrophobicContact CE1-CG 3.49Å; F140-Q318 VanDerWaalsContact CE1-CG 3.49Å; F140-Q318 HydrophobicContact CZ-CB 4.44Å; F140-Q318 HydrophobicContact CZ-CG 3.85Å
141G98.9Very high98.2Very high0 Ų030.8 Ų30.80%017%0.165CC..EExtended strand (participates in β ladder)trans-108.5134.6168.900000110.2Y272 A299 L316 V317G141-Y272 WeakPolarHBondContact CA-OH 3.4Å; G141-A299 WeakPolarHBondContact CA-O 3.47Å; G141-A299 VanDerWaalsContact N-CB 3.33Å; G141-L316 CarbonylContact O-C 3.42Å; G141-L316 WeakPolarHBondContact O-CA 3.32Å; G141-V317 PolarHBondContact N-O 3.38Å; G141-V317 PolarHBondContact O-N 3.3Å
142Y98.9Very high98.3Very high0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-135.1144.1176.4177.1-96.6000111.3T144 P152 Y272 W275 R300 R314 V315 L316 Y336Y142-T144 HydrophobicContact CE1-CG2 3.76Å; Y142-P152 HydrophobicContact CD1-CG 4.48Å; Y142-P152 HydrophobicContact CE1-CG 3.88Å; Y142-Y272 AromaticContact CD1-CD1 3.97Å; Y142-Y272 HydrophobicContact CD1-CD1 3.97Å; Y142-Y272 HydrophobicContact CD1-CG 4.13Å; Y142-Y272 HydrophobicContact CG-CD1 4.4Å; Y142-Y272 HydrophobicContact CG-CG 4.36Å; Y142-Y272 VanDerWaalsContact N-CZ 3.28Å; Y142-Y272 PolarHBondContact N-OH 2.97Å; Y142-Y272 WeakPolarHBondContact O-CE1 3.42Å; Y142-W275 HydrophobicContact CE1-CB 4.02Å; Y142-R300 WeakPolarHBondContact O-CD 3.42Å; Y142-R300 PolarHBondContact O-NH1 3.3Å; Y142-R314 HydrophobicContact CE2-CG 3.74Å; Y142-R314 VanDerWaalsContact OH-CD 3.24Å; Y142-R314 WeakPolarHBondContact OH-CD 3.35Å; Y142-V315 WeakPolarHBondContact CA-O 3.44Å; Y142-V315 VanDerWaalsContact CD2-O 3.29Å; Y142-V315 WeakPolarHBondContact CD2-O 3.44Å; Y142-L316 HydrophobicContact CD2-CD1 4.5Å; Y142-Y336 HydrophobicContact CE2-CE2 4.37Å
143A98.9Very high98.3Very high0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-147.9148170.600000110.2C150 A303 V307 R314 V315A143-C150 HydrophobicContact CB-CB 4.22Å; A143-A303 VanDerWaalsContact CB-C 3.5Å; A143-A303 HydrophobicContact CB-CB 3.87Å; A143-A303 WeakPolarHBondContact CB-O 3.41Å; A143-V307 HydrophobicContact CB-CB 4.23Å; A143-V307 HydrophobicContact CB-CG2 3.65Å; A143-R314 WeakPolarHBondContact O-CA 3.41Å; A143-V315 HydrophobicContact CB-CG1 4.37Å; A143-V315 PolarHBondContact N-O 2.75Å; A143-V315 VanDerWaalsContact N-O 3.12Å; A143-V315 PolarHBondContact O-N 3.49Å
144T98.9Very high98.4Very high0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-139.1147.5-179.61750000107.9Y142 E146 C150 P152 R313Y142-T144 HydrophobicContact CE1-CG2 3.76Å; T144-E146 VanDerWaalsContact C-N 3.3Å; T144-E146 HydrophobicContact CG2-CG 3.73Å; T144-E146 WeakPolarHBondContact CG2-OE2 3.34Å; T144-E146 PolarHBondContact OG1-N 3.47Å; T144-E146 PolarHBondContact OG1-OE2 2.85Å; T144-C150 PolarHBondContact N-O 2.9Å; T144-C150 CarbonylContact O-C 3.57Å; T144-C150 VanDerWaalsContact O-C 3.28Å; T144-C150 WeakPolarHBondContact O-CA 3.14Å; T144-C150 WeakPolarHBondContact O-CB 3.49Å; T144-P152 HydrophobicContact CG2-CG 4.36Å; T144-R313 CarbonylContact C-O 3.59Å; T144-R313 WeakPolarHBondContact CA-O 3.34Å
145D98.6Very high98.4Very high56 Ų5630.7 Ų30.730%0.29916%0.163SC..SBendtrans-87.63.7178.872.9-30.8000113.4T147 V307 R313D145-T147 PolarHBondContact O-N 2.86Å; D145-V307 HydrophobicContact CB-CG1 4.12Å; D145-R313 HydrophobicContact CB-CB 4.37Å; D145-R313 PolarHBondContact N-O 2.81Å; D145-R313 IonicContact OD1-NE 2.64Å; D145-R313 IonicContact OD1-NH2 2.75Å; D145-R313 IonicContact OD2-CZ 2.68Å; D145-R313 IonicContact OD2-NE 3.57Å; D145-R313 PolarHBondContact OD2-NE 2.81Å; D145-R313 IonicContact OD2-NH2 2.75Å; D145-R313 PolarHBondContact OD2-NH2 3.45Å; D145-R313 VanDerWaalsContact OD2-NH2 3.09Å
146E98.1Very high98.5Very high25 Ų2527.6 Ų27.612%0.11715%0.146CC..SBendtrans-67.2-14.7-177.375.8-169.4-107.700114.2T144 M151 P152 L153 Y189 M196 P198T144-E146 VanDerWaalsContact C-N 3.3Å; T144-E146 HydrophobicContact CG2-CG 3.73Å; T144-E146 WeakPolarHBondContact CG2-OE2 3.34Å; T144-E146 PolarHBondContact OG1-N 3.47Å; T144-E146 PolarHBondContact OG1-OE2 2.85Å; E146-M151 WeakPolarHBondContact CG-O 3.47Å; E146-P152 VanDerWaalsContact OE1-CA 3.31Å; E146-P152 WeakPolarHBondContact OE1-CA 3.34Å; E146-L153 PolarHBondContact OE1-N 2.99Å; E146-Y189 VanDerWaalsContact OE1-CE1 3.3Å; E146-Y189 WeakPolarHBondContact OE1-CE1 3.49Å; E146-Y189 PolarHBondContact OE1-OH 3.46Å; E146-M196 WeakPolarHBondContact CB-O 3.26Å; E146-P198 HydrophobicContact CB-CG 4.23Å
147T98.4Very high98.6Very high19 Ų1921.5 Ų21.512%0.11712%0.117CC..SBendtrans-139.2158.2172.6620000111.2D145 E149 C150 M151 L153D145-T147 PolarHBondContact O-N 2.86Å; T147-E149 VanDerWaalsContact C-N 3.26Å; T147-E149 PolarHBondContact O-N 3.27Å; T147-C150 WeakPolarHBondContact O-CA 3.16Å; T147-C150 PolarHBondContact O-N 3.25Å; T147-M151 WeakPolarHBondContact CG2-O 3.44Å; T147-M151 PolarHBondContact OG1-N 2.71Å; T147-M151 PolarHBondContact OG1-O 3.29Å; T147-L153 HydrophobicContact CG2-CB 4.17Å; T147-L153 HydrophobicContact CG2-CD1 4.08Å
148D96.9Very high98.6Very high140 Ų14020.3 Ų20.375%0.74911%0.105SC*.THydrogen-bonded Turntrans-61.3-34.4178.6-73.4-29.4000112.6C150 K308D148-C150 PolarHBondContact O-N 3.22Å; D148-K308 WeakPolarHBondContact O-CE 3.5Å; D148-K308 PolarHBondContact O-NZ 2.88Å
149E97.3Very high98.6Very high49 Ų4917.3 Ų17.323%0.2299%0.089CC..THydrogen-bonded Turntrans-77.41.6178.1-52.492.3152.900112.7T147 M151 K160 R300T147-E149 VanDerWaalsContact C-N 3.26Å; T147-E149 PolarHBondContact O-N 3.27Å; E149-M151 VanDerWaalsContact C-N 3.35Å; E149-M151 PolarHBondContact O-N 3.07Å; E149-K160 IonicContact OE1-NZ 2.61Å; E149-R300 PolarHBondContact O-NH2 3Å
150C98.8Very high98.6Very high2 Ų221.6 Ų21.61%0.01411%0.108CC..SBendtrans5740-175.6-620000114.4A143 T144 T147 D148 R300 K304 K308A143-C150 HydrophobicContact CB-CB 4.22Å; T144-C150 PolarHBondContact N-O 2.9Å; T144-C150 CarbonylContact O-C 3.57Å; T144-C150 VanDerWaalsContact O-C 3.28Å; T144-C150 WeakPolarHBondContact O-CA 3.14Å; T144-C150 WeakPolarHBondContact O-CB 3.49Å; T147-C150 WeakPolarHBondContact O-CA 3.16Å; T147-C150 PolarHBondContact O-N 3.25Å; D148-C150 PolarHBondContact O-N 3.22Å; C150-R300 PolarHBondContact O-NH1 3.21Å; C150-K304 HydrophobicContact CB-CG 4.08Å; C150-K308 WeakPolarHBondContact SG-CE 3.29Å
151M98.9Very high98.6Very high1 Ų120.3 Ų20.31%0.00510%0.102CC..SBendtrans-124.1157.3-178.7-76.9-64.6-75.800111.7E146 T147 E149 L153 I155 I156 T271 Y272 R300 F381E146-M151 WeakPolarHBondContact CG-O 3.47Å; T147-M151 WeakPolarHBondContact CG2-O 3.44Å; T147-M151 PolarHBondContact OG1-N 2.71Å; T147-M151 PolarHBondContact OG1-O 3.29Å; E149-M151 VanDerWaalsContact C-N 3.35Å; E149-M151 PolarHBondContact O-N 3.07Å; M151-L153 PolarHBondContact O-N 2.77Å; M151-I155 HydrophobicContact CE-CG2 3.95Å; M151-I156 HydrophobicContact CB-CD1 3.78Å; M151-I156 HydrophobicContact CB-CG1 3.63Å; M151-I156 HydrophobicContact CG-CD1 4.21Å; M151-T271 VanDerWaalsContact CE-O 3.29Å; M151-T271 WeakPolarHBondContact CE-O 3.43Å; M151-Y272 HydrophobicContact CE-CD1 4.13Å; M151-Y272 HydrophobicContact SD-CD1 4.02Å; M151-Y272 HydrophobicContact SD-CE1 4.3Å; M151-R300 PolarHBondContact SD-NH1 2.81Å; M151-F381 HydrophobicContact CE-CB 3.99Å; M151-F381 HydrophobicContact SD-CB 3.84Å
152P98.9Very high98.6Very high0 Ų020.4 Ų20.40%010%0.102CC..  trans-61.5135.1172.8-18.128.4000112.4Y142 T144 E146 T154 I155 I156 W275Y142-P152 HydrophobicContact CD1-CG 4.48Å; Y142-P152 HydrophobicContact CE1-CG 3.88Å; T144-P152 HydrophobicContact CG2-CG 4.36Å; E146-P152 VanDerWaalsContact OE1-CA 3.31Å; E146-P152 WeakPolarHBondContact OE1-CA 3.34Å; P152-T154 PolarHBondContact O-N 3.44Å; P152-I155 HydrophobicContact CB-CG2 4.08Å; P152-I155 HydrophobicContact CG-CG2 4.17Å; P152-I155 WeakPolarHBondContact O-CG2 3.29Å; P152-I155 PolarHBondContact O-N 3.32Å; P152-I156 WeakPolarHBondContact O-CG1 3.44Å; P152-I156 PolarHBondContact O-N 2.78Å; P152-W275 HydrophobicContact CB-CG 3.9Å; P152-W275 HydrophobicContact CG-CB 3.74Å; P152-W275 HydrophobicContact CG-CG 3.61Å
153L98.8Very high98.6Very high14 Ų1422.3 Ų22.37%0.07312%0.118CC..Hα-helixtrans-60.3-37.5179.3-176.565.7000111.4E146 T147 M151 I155 I156 L157 P198 Y236E146-L153 PolarHBondContact OE1-N 2.99Å; T147-L153 HydrophobicContact CG2-CB 4.17Å; T147-L153 HydrophobicContact CG2-CD1 4.08Å; M151-L153 PolarHBondContact O-N 2.77Å; L153-I155 PolarHBondContact O-N 3.33Å; L153-I156 PolarHBondContact O-N 3Å; L153-L157 HydrophobicContact CD1-CD1 4.1Å; L153-L157 HydrophobicContact CD1-CD2 4.3Å; L153-L157 HydrophobicContact CD1-CG 3.92Å; L153-L157 HydrophobicContact CD2-CD1 4.28Å; L153-L157 HydrophobicContact CG-CD1 3.84Å; L153-L157 HydrophobicContact CG-CG 4.08Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.44Å; L153-P198 HydrophobicContact CB-CG 4.11Å; L153-P198 HydrophobicContact CD2-CB 3.51Å; L153-P198 HydrophobicContact CD2-CG 3.79Å; L153-Y236 HydrophobicContact CD2-CD2 4.24Å; L153-Y236 HydrophobicContact CD2-CE1 4.39Å; L153-Y236 HydrophobicContact CD2-CE2 3.78Å
154T98.9Very high98.6Very high0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-53.7-50.8178.949.60000112.6F21 S23 P152 A158 V187 Y189 W275F21-T154 WeakPolarHBondContact O-CG2 3.49Å; S23-T154 VanDerWaalsContact OG-CB 3.25Å; S23-T154 WeakPolarHBondContact OG-CB 3.25Å; S23-T154 PolarHBondContact OG-OG1 3.39Å; P152-T154 PolarHBondContact O-N 3.44Å; T154-A158 WeakPolarHBondContact O-CB 3.49Å; T154-A158 PolarHBondContact O-N 3.47Å; T154-V187 HydrophobicContact CG2-CB 3.66Å; T154-V187 HydrophobicContact CG2-CG2 3.6Å; T154-Y189 HydrophobicContact CG2-CE2 3.82Å; T154-W275 PolarHBondContact OG1-NE1 3.08Å; T154-W275 VanDerWaalsContact OG1-NE1 3.14Å
155I98.9Very high98.6Very high0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-76.2-34.9-177-168.359.6000112E24 M151 P152 L153 A158 H159E24-I155 WeakPolarHBondContact O-CD1 3.19Å; M151-I155 HydrophobicContact CE-CG2 3.95Å; P152-I155 HydrophobicContact CB-CG2 4.08Å; P152-I155 HydrophobicContact CG-CG2 4.17Å; P152-I155 WeakPolarHBondContact O-CG2 3.29Å; P152-I155 PolarHBondContact O-N 3.32Å; L153-I155 PolarHBondContact O-N 3.33Å; I155-A158 PolarHBondContact O-N 2.8Å; I155-H159 WeakPolarHBondContact CG1-NE2 3.39Å; I155-H159 PolarHBondContact O-CD2 3.32Å; I155-H159 VanDerWaalsContact O-CG 3.29Å; I155-H159 PolarHBondContact O-N 3.2Å
156I98.7Very high98.6Very high12 Ų1222.1 Ų22.16%0.06212%0.116CC..Hα-helixtrans-61.7-46.2175.5-71.1-67.4000111M151 P152 L153 H159 K160M151-I156 HydrophobicContact CB-CD1 3.78Å; M151-I156 HydrophobicContact CB-CG1 3.63Å; M151-I156 HydrophobicContact CG-CD1 4.21Å; P152-I156 WeakPolarHBondContact O-CG1 3.44Å; P152-I156 PolarHBondContact O-N 2.78Å; L153-I156 PolarHBondContact O-N 3Å; I156-H159 PolarHBondContact O-N 3.11Å; I156-K160 HydrophobicContact CG2-CD 3.9Å; I156-K160 WeakPolarHBondContact O-CB 3.2Å; I156-K160 WeakPolarHBondContact O-CG 3.29Å; I156-K160 PolarHBondContact O-N 3.22Å
157L98.9Very high98.7Very high5 Ų525.3 Ų25.33%0.02613%0.131CC..Hα-helixtrans-64.1-44.3177-68.4179.5000111.2L153 H159 K160 L161 V185 V201 V231 V232L153-L157 HydrophobicContact CD1-CD1 4.1Å; L153-L157 HydrophobicContact CD1-CD2 4.3Å; L153-L157 HydrophobicContact CD1-CG 3.92Å; L153-L157 HydrophobicContact CD2-CD1 4.28Å; L153-L157 HydrophobicContact CG-CD1 3.84Å; L153-L157 HydrophobicContact CG-CG 4.08Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.44Å; L157-H159 PolarHBondContact O-N 2.66Å; L157-K160 PolarHBondContact O-N 3.41Å; L157-L161 VanDerWaalsContact O-CG 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.77Å; L157-V185 HydrophobicContact CB-CG1 4.27Å; L157-V185 HydrophobicContact CB-CG2 4.11Å; L157-V185 HydrophobicContact CD1-CG1 4.2Å; L157-V201 HydrophobicContact CD1-CG2 3.94Å; L157-V231 HydrophobicContact CD2-CG1 4.37Å; L157-V232 HydrophobicContact CD1-CG1 4.31Å; L157-V232 HydrophobicContact CD2-CG2 4.34Å
158A98.9Very high98.7Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-59-43.7176.600000112.3T154 I155 N162 T183 V185T154-A158 WeakPolarHBondContact O-CB 3.49Å; T154-A158 PolarHBondContact O-N 3.47Å; I155-A158 PolarHBondContact O-N 2.8Å; A158-N162 PolarHBondContact O-N 2.96Å; A158-N162 PolarHBondContact O-ND2 3.34Å; A158-N162 VanDerWaalsContact O-ND2 3.1Å; A158-T183 WeakPolarHBondContact CA-OG1 3.37Å; A158-T183 PolarHBondContact O-OG1 2.72Å; A158-V185 HydrophobicContact CB-CG2 4.1Å
159H98.9Very high98.8Very high10 Ų1019.9 Ų19.95%0.04610%0.099CC..Hα-helixtrans-60.4-50.4173.6-70.8-27.1000112.2S25 I155 I156 L157 L161 N162 A163 V269 Y378 G379S25-H159 WeakPolarHBondContact CB-ND1 3.39Å; S25-H159 PolarHBondContact OG-CE1 3.09Å; S25-H159 PolarHBondContact OG-ND1 2.97Å; I155-H159 WeakPolarHBondContact CG1-NE2 3.39Å; I155-H159 PolarHBondContact O-CD2 3.32Å; I155-H159 VanDerWaalsContact O-CG 3.29Å; I155-H159 PolarHBondContact O-N 3.2Å; I156-H159 PolarHBondContact O-N 3.11Å; L157-H159 PolarHBondContact O-N 2.66Å; H159-L161 VanDerWaalsContact C-N 3.29Å; H159-L161 PolarHBondContact O-N 2.99Å; H159-N162 PolarHBondContact O-N 2.85Å; H159-A163 PolarHBondContact O-N 3.35Å; H159-V269 PolarHBondContact CE1-O 2.84Å; H159-V269 PolarHBondContact NE2-O 3.22Å; H159-Y378 PolarHBondContact CD2-O 3.45Å; H159-G379 WeakPolarHBondContact NE2-CA 3.38Å
160K98.9Very high98.9Very high94 Ų9423.7 Ų23.741%0.40911%0.111SC..Hα-helixtrans-63.5-33.7-176.5-73.1177.6177173.30112.1E149 I156 L157 A163 K164 V231E149-K160 IonicContact OE1-NZ 2.61Å; I156-K160 HydrophobicContact CG2-CD 3.9Å; I156-K160 WeakPolarHBondContact O-CB 3.2Å; I156-K160 WeakPolarHBondContact O-CG 3.29Å; I156-K160 PolarHBondContact O-N 3.22Å; L157-K160 PolarHBondContact O-N 3.41Å; K160-A163 PolarHBondContact O-N 3.15Å; K160-K164 WeakPolarHBondContact O-CB 3.43Å; K160-K164 PolarHBondContact O-N 3.08Å; K160-V231 HydrophobicContact CB-CG1 3.43Å; K160-V231 VanDerWaalsContact CB-CG1 3.43Å; K160-V231 HydrophobicContact CB-CG2 4.45Å
161L98.9Very high98.8Very high0 Ų027.6 Ų27.60%013%0.132CC..Hα-helixtrans-62.4-46.7173.7-71.5169.9000111.8L157 H159 K164 M165 T183 V185 I204 I206 V227 I228 V231 V232L157-L161 VanDerWaalsContact O-CG 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.77Å; H159-L161 VanDerWaalsContact C-N 3.29Å; H159-L161 PolarHBondContact O-N 2.99Å; L161-K164 PolarHBondContact O-N 3.11Å; L161-M165 PolarHBondContact O-N 3.39Å; L161-M165 VanDerWaalsContact O-N 3.07Å; L161-T183 HydrophobicContact CB-CG2 3.69Å; L161-T183 HydrophobicContact CD1-CG2 4.45Å; L161-V185 HydrophobicContact CD1-CG2 3.73Å; L161-I204 HydrophobicContact CD1-CG2 4.03Å; L161-I206 HydrophobicContact CD2-CD1 4.29Å; L161-V227 HydrophobicContact CD2-CG1 3.91Å; L161-I228 HydrophobicContact CD2-CG1 3.94Å; L161-V231 HydrophobicContact CD2-CB 3.98Å; L161-V231 HydrophobicContact CD2-CG1 4.07Å; L161-V231 HydrophobicContact CD2-CG2 4.36Å; L161-V231 HydrophobicContact CG-CG1 4.13Å; L161-V232 HydrophobicContact CD2-CG2 4.46Å
162N98.9Very high98.8Very high1 Ų129.6 Ų29.61%0.00515%0.153CC..Hα-helixtrans-65.2-40.8175.6-74-68.1000112.4S25 V26 G27 A158 H159 K164 M165 A166 S181 T183 Y378S25-N162 VanDerWaalsContact C-ND2 3.28Å; S25-N162 PolarHBondContact O-ND2 2.96Å; V26-N162 PolarHBondContact N-ND2 3.32Å; G27-N162 PolarHBondContact N-OD1 3.24Å; A158-N162 PolarHBondContact O-N 2.96Å; A158-N162 PolarHBondContact O-ND2 3.34Å; A158-N162 VanDerWaalsContact O-ND2 3.1Å; H159-N162 PolarHBondContact O-N 2.85Å; N162-K164 VanDerWaalsContact C-N 3.31Å; N162-K164 PolarHBondContact O-N 2.74Å; N162-M165 HydrophobicContact CB-CE 4.46Å; N162-M165 PolarHBondContact O-N 2.86Å; N162-M165 WeakPolarHBondContact OD1-CE 3.37Å; N162-A166 PolarHBondContact O-N 2.89Å; N162-S181 WeakPolarHBondContact OD1-CB 3.12Å; N162-S181 PolarHBondContact OD1-OG 3.45Å; N162-T183 WeakPolarHBondContact ND2-CG2 3.47Å; N162-T183 PolarHBondContact ND2-OG1 3.05Å; N162-Y378 HydrophobicContact CB-CD1 4.37Å; N162-Y378 HydrophobicContact CB-CE1 3.82Å
163A98.8Very high98.8Very high40 Ų4032.8 Ų32.833%0.33117%0.172SC..Hα-helixtrans-62-40.9176.500000111.4H159 K160 A166 E167 Y378H159-A163 PolarHBondContact O-N 3.35Å; K160-A163 PolarHBondContact O-N 3.15Å; A163-A166 PolarHBondContact O-N 2.93Å; A163-E167 PolarHBondContact O-N 2.78Å; A163-Y378 HydrophobicContact CB-CD1 4.22Å; A163-Y378 HydrophobicContact CB-CE1 3.97Å
164K98.9Very high98.8Very high41 Ų4132.3 Ų32.318%0.17817%0.17CC..Hα-helixtrans-64.8-40.8176.8-173.857.1172.1-1780112.3K160 L161 N162 A166 E167 L168 V227 V231K160-K164 WeakPolarHBondContact O-CB 3.43Å; K160-K164 PolarHBondContact O-N 3.08Å; L161-K164 PolarHBondContact O-N 3.11Å; N162-K164 VanDerWaalsContact C-N 3.31Å; N162-K164 PolarHBondContact O-N 2.74Å; K164-A166 VanDerWaalsContact C-N 3.34Å; K164-A166 PolarHBondContact O-N 3.24Å; K164-E167 VanDerWaalsContact CD-OE2 3.24Å; K164-E167 WeakPolarHBondContact CD-OE2 3.34Å; K164-E167 IonicContact NZ-OE1 3.36Å; K164-E167 PolarHBondContact NZ-OE1 2.99Å; K164-E167 IonicContact NZ-OE2 3.46Å; K164-E167 PolarHBondContact NZ-OE2 3.5Å; K164-E167 WeakPolarHBondContact O-CB 3.45Å; K164-E167 PolarHBondContact O-N 3.11Å; K164-L168 HydrophobicContact CD-CG 4.3Å; K164-L168 HydrophobicContact CG-CD1 4.32Å; K164-L168 WeakPolarHBondContact O-CG 3.43Å; K164-L168 PolarHBondContact O-N 2.8Å; K164-V227 HydrophobicContact CB-CG1 4.21Å; K164-V227 HydrophobicContact CG-CG1 4.23Å; K164-V231 HydrophobicContact CB-CG2 3.62Å; K164-V231 HydrophobicContact CG-CG2 3.94Å
165M98.9Very high98.8Very high4 Ų436.5 Ų36.52%0.0220%0.197CC..Hα-helixtrans-61.8-42.4173.4-70.7-174.2-69.100111.7L161 N162 E167 L168 R169 L177 T183 I206 V208 L223 V227L161-M165 PolarHBondContact O-N 3.39Å; L161-M165 VanDerWaalsContact O-N 3.07Å; N162-M165 HydrophobicContact CB-CE 4.46Å; N162-M165 PolarHBondContact O-N 2.86Å; N162-M165 WeakPolarHBondContact OD1-CE 3.37Å; M165-E167 PolarHBondContact O-N 2.62Å; M165-L168 PolarHBondContact O-N 2.78Å; M165-R169 VanDerWaalsContact O-CB 3.27Å; M165-R169 WeakPolarHBondContact O-CB 3.29Å; M165-R169 PolarHBondContact O-N 3.06Å; M165-L177 HydrophobicContact CB-CD1 4.33Å; M165-L177 WeakPolarHBondContact O-CD1 3.47Å; M165-T183 HydrophobicContact CE-CG2 3.58Å; M165-I206 HydrophobicContact CE-CG2 3.95Å; M165-I206 HydrophobicContact SD-CG2 3.61Å; M165-V208 HydrophobicContact SD-CB 3.9Å; M165-V208 HydrophobicContact SD-CG1 4.14Å; M165-V208 HydrophobicContact SD-CG2 4.14Å; M165-L223 HydrophobicContact SD-CD2 3.96Å; M165-V227 HydrophobicContact CG-CG1 3.81Å; M165-V227 HydrophobicContact CG-CG2 3.94Å
166A98.9Very high98.8Very high7 Ų737.3 Ų37.36%0.05820%0.2CC..Hα-helixtrans-64.1-39176.100000112.6N162 A163 K164 R170 Y378N162-A166 PolarHBondContact O-N 2.89Å; A163-A166 PolarHBondContact O-N 2.93Å; K164-A166 VanDerWaalsContact C-N 3.34Å; K164-A166 PolarHBondContact O-N 3.24Å; A166-R170 WeakPolarHBondContact O-CB 3.4Å; A166-R170 VanDerWaalsContact O-CG 3.3Å; A166-R170 WeakPolarHBondContact O-CG 3.4Å; A166-R170 PolarHBondContact O-N 2.78Å; A166-Y378 WeakPolarHBondContact CB-OH 3.43Å
167E98.9Very high98.8Very high92 Ų9236.9 Ų36.943%0.4320%0.198SC..Hα-helixtrans-59-53.2173.3-175.2-154.6130.700111.3A163 K164 M165 R169 R170 N171A163-E167 PolarHBondContact O-N 2.78Å; K164-E167 VanDerWaalsContact CD-OE2 3.24Å; K164-E167 WeakPolarHBondContact CD-OE2 3.34Å; K164-E167 IonicContact NZ-OE1 3.36Å; K164-E167 PolarHBondContact NZ-OE1 2.99Å; K164-E167 IonicContact NZ-OE2 3.46Å; K164-E167 PolarHBondContact NZ-OE2 3.5Å; K164-E167 WeakPolarHBondContact O-CB 3.45Å; K164-E167 PolarHBondContact O-N 3.11Å; M165-E167 PolarHBondContact O-N 2.62Å; E167-R169 VanDerWaalsContact C-N 3.29Å; E167-R169 PolarHBondContact O-N 3.25Å; E167-R170 PolarHBondContact O-N 2.83Å; E167-N171 WeakPolarHBondContact O-CB 3.31Å; E167-N171 PolarHBondContact O-N 3.17Å; E167-N171 PolarHBondContact O-ND2 3.44Å; E167-N171 PolarHBondContact O-OD1 3.41Å
168L98.9Very high98.8Very high10 Ų1038.5 Ų38.55%0.05220%0.203CC..Hα-helixtrans-67.6-28.9-177.9-63.9-179.4000113.1K164 M165 N171 G172 T173 L174 L177 K226 V227K164-L168 HydrophobicContact CD-CG 4.3Å; K164-L168 HydrophobicContact CG-CD1 4.32Å; K164-L168 WeakPolarHBondContact O-CG 3.43Å; K164-L168 PolarHBondContact O-N 2.8Å; M165-L168 PolarHBondContact O-N 2.78Å; L168-N171 WeakPolarHBondContact CA-OD1 3.35Å; L168-N171 PolarHBondContact O-OD1 3.17Å; L168-G172 PolarHBondContact O-N 2.87Å; L168-T173 HydrophobicContact CD2-CG2 4.07Å; L168-T173 PolarHBondContact O-N 3.12Å; L168-T173 VanDerWaalsContact O-N 3.12Å; L168-L174 HydrophobicContact CB-CB 4.25Å; L168-L174 HydrophobicContact CB-CD1 4.13Å; L168-L174 HydrophobicContact CB-CG 4.21Å; L168-L174 HydrophobicContact CD1-CD1 3.67Å; L168-L174 HydrophobicContact CD1-CG 4.31Å; L168-L174 PolarHBondContact O-N 3.45Å; L168-L177 HydrophobicContact CB-CD1 4.35Å; L168-K226 HydrophobicContact CD1-CB 3.98Å; L168-V227 HydrophobicContact CD1-CG2 3.92Å
169R98.8Very high98.8Very high36 Ų3638.7 Ų38.714%0.13621%0.205CC..Hα-helixtrans-67.2-50.7170.4177.917758.986-5.7111I91 M165 E167 G172 L177I91-R169 PolarHBondContact O-NH1 2.95Å; I91-R169 PolarHBondContact O-NH2 3Å; M165-R169 VanDerWaalsContact O-CB 3.27Å; M165-R169 WeakPolarHBondContact O-CB 3.29Å; M165-R169 PolarHBondContact O-N 3.06Å; E167-R169 VanDerWaalsContact C-N 3.29Å; E167-R169 PolarHBondContact O-N 3.25Å; R169-G172 PolarHBondContact O-N 2.8Å; R169-L177 HydrophobicContact CB-CB 3.81Å; R169-L177 HydrophobicContact CB-CD1 4.14Å; R169-L177 WeakPolarHBondContact CD-O 3.44Å; R169-L177 HydrophobicContact CG-CB 4.01Å
170R98.6Very high98.8Very high129 Ų12938.5 Ų38.549%0.48720%0.204SC..Hα-helixtrans-69.4-34.6-175.6-75.9175.6172.8131.7-0.2113E28 Q90 A166 E167 G172E28-R170 VanDerWaalsContact CD-NH2 3.27Å; E28-R170 IonicContact OE1-CZ 2.71Å; E28-R170 VanDerWaalsContact OE1-CZ 3.27Å; E28-R170 IonicContact OE1-NH1 2.71Å; E28-R170 PolarHBondContact OE1-NH1 2.99Å; E28-R170 IonicContact OE1-NH2 3.04Å; E28-R170 PolarHBondContact OE1-NH2 2.91Å; E28-R170 VanDerWaalsContact OE1-NH2 3.1Å; E28-R170 IonicContact OE2-CZ 3.2Å; E28-R170 IonicContact OE2-NH1 3.21Å; E28-R170 IonicContact OE2-NH2 3.3Å; E28-R170 PolarHBondContact OE2-NH2 2.74Å; Q90-R170 PolarHBondContact O-NH2 3.44Å; A166-R170 WeakPolarHBondContact O-CB 3.4Å; A166-R170 VanDerWaalsContact O-CG 3.3Å; A166-R170 WeakPolarHBondContact O-CG 3.4Å; A166-R170 PolarHBondContact O-N 2.78Å; E167-R170 PolarHBondContact O-N 2.83Å; R170-G172 VanDerWaalsContact C-N 3.3Å
171N98.6Very high98.8Very high84 Ų8434.3 Ų34.345%0.44919%0.186SC..THydrogen-bonded Turntrans-85-2.2178.975.216.9000113.6E167 L168 T173E167-N171 WeakPolarHBondContact O-CB 3.31Å; E167-N171 PolarHBondContact O-N 3.17Å; E167-N171 PolarHBondContact O-ND2 3.44Å; E167-N171 PolarHBondContact O-OD1 3.41Å; L168-N171 WeakPolarHBondContact CA-OD1 3.35Å; L168-N171 PolarHBondContact O-OD1 3.17Å; N171-T173 VanDerWaalsContact C-N 3.31Å; N171-T173 PolarHBondContact O-N 2.95Å; N171-T173 WeakPolarHBondContact OD1-CB 3.32Å; N171-T173 PolarHBondContact OD1-N 2.83Å; N171-T173 PolarHBondContact OD1-OG1 3.47Å
172G98.4Very high98.8Very high43 Ų4337.8 Ų37.844%0.44320%0.201SC..THydrogen-bonded Turntrans77.75.8177.200000115.4L168 R169 R170 L174 P175L168-G172 PolarHBondContact O-N 2.87Å; R169-G172 PolarHBondContact O-N 2.8Å; R170-G172 VanDerWaalsContact C-N 3.3Å; G172-L174 VanDerWaalsContact C-N 3.31Å; G172-L174 PolarHBondContact O-N 2.86Å; G172-P175 WeakPolarHBondContact O-CD 3.39Å
173T98.7Very high98.8Very high66 Ų6637.9 Ų37.941%0.40520%0.202SC..SBendtrans-65.8-35.7177.1-58.70000112L168 N171 K226L168-T173 HydrophobicContact CD2-CG2 4.07Å; L168-T173 PolarHBondContact O-N 3.12Å; L168-T173 VanDerWaalsContact O-N 3.12Å; N171-T173 VanDerWaalsContact C-N 3.31Å; N171-T173 PolarHBondContact O-N 2.95Å; N171-T173 WeakPolarHBondContact OD1-CB 3.32Å; N171-T173 PolarHBondContact OD1-N 2.83Å; N171-T173 PolarHBondContact OD1-OG1 3.47Å; T173-K226 HydrophobicContact CG2-CD 4.33Å
174L98.7Very high98.8Very high5 Ų539.5 Ų39.53%0.02620%0.203CC..SBendtrans-12677.2174-65.7-179.9000108.4L168 G172 W176 L177 A222 K226 V227L168-L174 HydrophobicContact CB-CB 4.25Å; L168-L174 HydrophobicContact CB-CD1 4.13Å; L168-L174 HydrophobicContact CB-CG 4.21Å; L168-L174 HydrophobicContact CD1-CD1 3.67Å; L168-L174 HydrophobicContact CD1-CG 4.31Å; L168-L174 PolarHBondContact O-N 3.45Å; G172-L174 VanDerWaalsContact C-N 3.31Å; G172-L174 PolarHBondContact O-N 2.86Å; L174-W176 HydrophobicContact CB-CZ2 4.42Å; L174-W176 HydrophobicContact CD1-CZ2 4.18Å; L174-W176 HydrophobicContact CD2-CZ2 4.07Å; L174-W176 HydrophobicContact CG-CZ2 4.46Å; L174-W176 PolarHBondContact O-N 2.89Å; L174-L177 HydrophobicContact CB-CD1 3.56Å; L174-L177 HydrophobicContact CB-CG 3.86Å; L174-L177 HydrophobicContact CD1-CD1 3.93Å; L174-L177 HydrophobicContact CG-CD1 4.39Å; L174-L177 WeakPolarHBondContact O-CB 3.34Å; L174-L177 PolarHBondContact O-N 3.08Å; L174-A222 HydrophobicContact CD1-CB 4.32Å; L174-A222 HydrophobicContact CD2-CB 3.86Å; L174-K226 HydrophobicContact CD2-CD 4.1Å; L174-K226 HydrophobicContact CG-CD 4.5Å; L174-V227 HydrophobicContact CD1-CG2 4.48Å
175P98.6Very high98.8Very high87 Ų8737.5 Ų37.557%0.56519%0.194SC*.THydrogen-bonded Turntrans-71.4-16.9-169.430-35.3000113.4G172 L177 R178G172-P175 WeakPolarHBondContact O-CD 3.39Å; P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 2.99Å; P175-R178 PolarHBondContact O-NH1 3.32Å; P175-R178 VanDerWaalsContact O-NH1 3.08Å
176W98.8Very high98.8Very high17 Ų1737.9 Ų37.96%0.06420%0.197CC..THydrogen-bonded Turntrans-73.3-19.3175.553.9-101.3000113.2L174 R178 V208 H210 D211 I214 M219 A222 L223L174-W176 HydrophobicContact CB-CZ2 4.42Å; L174-W176 HydrophobicContact CD1-CZ2 4.18Å; L174-W176 HydrophobicContact CD2-CZ2 4.07Å; L174-W176 HydrophobicContact CG-CZ2 4.46Å; L174-W176 PolarHBondContact O-N 2.89Å; W176-R178 PolarHBondContact O-N 2.88Å; W176-R178 PolarHBondContact O-NH1 3.05Å; W176-V208 HydrophobicContact CZ3-CG1 4.15Å; W176-H210 HydrophobicContact CE3-CB 3.76Å; W176-H210 HydrophobicContact CZ3-CB 4.16Å; W176-H210 WeakPolarHBondContact O-CA 3.39Å; W176-D211 WeakPolarHBondContact CA-OD2 3.41Å; W176-D211 WeakPolarHBondContact CB-OD1 3.4Å; W176-D211 WeakPolarHBondContact CB-OD2 3.2Å; W176-D211 PolarHBondContact O-N 2.71Å; W176-D211 VanDerWaalsContact O-N 3.13Å; W176-I214 HydrophobicContact CB-CB 3.95Å; W176-I214 HydrophobicContact CB-CG1 4.42Å; W176-I214 HydrophobicContact CB-CG2 3.96Å; W176-I214 HydrophobicContact CD2-CB 4.36Å; W176-I214 HydrophobicContact CD2-CG1 4.01Å; W176-I214 HydrophobicContact CD2-CG2 4.12Å; W176-I214 HydrophobicContact CE3-CG2 4.08Å; W176-I214 HydrophobicContact CG-CB 3.98Å; W176-I214 HydrophobicContact CG-CD1 4.15Å; W176-I214 HydrophobicContact CG-CG1 3.9Å; W176-I214 HydrophobicContact CG-CG2 4.09Å; W176-M219 HydrophobicContact CD2-CG 4.48Å; W176-M219 HydrophobicContact CE3-CG 4.1Å; W176-M219 HydrophobicContact CE3-SD 4.22Å; W176-M219 HydrophobicContact CH2-CB 4.03Å; W176-M219 HydrophobicContact CH2-CG 3.72Å; W176-M219 HydrophobicContact CH2-SD 4.41Å; W176-M219 HydrophobicContact CZ2-CB 4.47Å; W176-M219 HydrophobicContact CZ2-CG 4.12Å; W176-M219 HydrophobicContact CZ3-CB 4.4Å; W176-M219 HydrophobicContact CZ3-CG 3.7Å; W176-M219 HydrophobicContact CZ3-SD 3.84Å; W176-A222 HydrophobicContact CZ2-CB 3.95Å; W176-L223 HydrophobicContact CH2-CD2 4.5Å; W176-L223 HydrophobicContact CH2-CG 4.48Å
177L98.9Very high98.8Very high4 Ų437.6 Ų37.62%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-61.3137.7177.3-71.6173.1000111M165 L168 R169 L174 P175 V208M165-L177 HydrophobicContact CB-CD1 4.33Å; M165-L177 WeakPolarHBondContact O-CD1 3.47Å; L168-L177 HydrophobicContact CB-CD1 4.35Å; R169-L177 HydrophobicContact CB-CB 3.81Å; R169-L177 HydrophobicContact CB-CD1 4.14Å; R169-L177 WeakPolarHBondContact CD-O 3.44Å; R169-L177 HydrophobicContact CG-CB 4.01Å; L174-L177 HydrophobicContact CB-CD1 3.56Å; L174-L177 HydrophobicContact CB-CG 3.86Å; L174-L177 HydrophobicContact CD1-CD1 3.93Å; L174-L177 HydrophobicContact CG-CD1 4.39Å; L174-L177 WeakPolarHBondContact O-CB 3.34Å; L174-L177 PolarHBondContact O-N 3.08Å; P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 2.99Å; L177-V208 HydrophobicContact CD2-CB 4.21Å; L177-V208 HydrophobicContact CD2-CG1 3.64Å; L177-V208 HydrophobicContact CD2-CG2 3.51Å
178R98.9Very high98.8Very high39 Ų3933.7 Ų33.715%0.14718%0.176CC..EExtended strand (participates in β ladder)trans-111.7167.4169.9-58.2-63.2-175.3-107.64.9110.2P175 W176 D180 Q209 D211P175-R178 PolarHBondContact O-NH1 3.32Å; P175-R178 VanDerWaalsContact O-NH1 3.08Å; W176-R178 PolarHBondContact O-N 2.88Å; W176-R178 PolarHBondContact O-NH1 3.05Å; R178-D180 PolarHBondContact O-N 2.85Å; R178-Q209 HydrophobicContact CB-CB 3.79Å; R178-Q209 VanDerWaalsContact CB-CD 3.45Å; R178-Q209 HydrophobicContact CB-CG 3.62Å; R178-Q209 WeakPolarHBondContact CB-O 3.43Å; R178-Q209 VanDerWaalsContact CB-OE1 3.24Å; R178-Q209 HydrophobicContact CG-CG 4.08Å; R178-Q209 PolarHBondContact N-O 3.4Å; R178-D211 VanDerWaalsContact NH2-CB 3.3Å
179P98.9Very high98.8Very high4 Ų433.2 Ų33.23%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-68.5-26.7-168.5-2536.9000116.3G29 I91 Y93G29-P179 WeakPolarHBondContact CA-O 3.49Å; G29-P179 PolarHBondContact N-O 2.71Å; I91-P179 HydrophobicContact CG2-CB 3.96Å; Y93-P179 HydrophobicContact CD1-CG 4.27Å; Y93-P179 HydrophobicContact CD2-CB 4.22Å; Y93-P179 HydrophobicContact CD2-CG 4.22Å; Y93-P179 HydrophobicContact CE1-CB 4.47Å; Y93-P179 HydrophobicContact CE1-CG 4.17Å; Y93-P179 HydrophobicContact CE2-CB 3.76Å; Y93-P179 HydrophobicContact CE2-CG 4.12Å; Y93-P179 HydrophobicContact CG-CG 4.29Å
180D98.9Very high98.7Very high6 Ų636.4 Ų36.43%0.03219%0.185CC..EExtended strand (participates in β ladder)trans-77.9120.5-179.1-172.83.9000111.6H30 Y93 R178 Q209 G255H30-D180 WeakPolarHBondContact CA-OD1 3.48Å; H30-D180 IonicContact CD2-OD1 3.38Å; Y93-D180 WeakPolarHBondContact OH-CB 3.3Å; R178-D180 PolarHBondContact O-N 2.85Å; D180-Q209 HydrophobicContact CB-CB 3.96Å; D180-Q209 WeakPolarHBondContact O-CB 3.4Å; D180-Q209 PolarHBondContact O-N 2.94Å; D180-G255 PolarHBondContact OD2-N 2.97Å
181S98.9Very high98.5Very high5 Ų535.7 Ų35.74%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-148.7151.8178.968.60000112V26 G27 N162 S207V26-S181 CarbonylContact C-O 3.54Å; V26-S181 VanDerWaalsContact CA-O 3.24Å; V26-S181 WeakPolarHBondContact CA-O 3.29Å; V26-S181 WeakPolarHBondContact CB-O 3.45Å; G27-S181 WeakPolarHBondContact CA-OG 3.39Å; G27-S181 PolarHBondContact N-O 3.32Å; G27-S181 PolarHBondContact N-OG 3.32Å; N162-S181 WeakPolarHBondContact OD1-CB 3.12Å; N162-S181 PolarHBondContact OD1-OG 3.45Å; S181-S207 CarbonylContact C-O 3.57Å; S181-S207 WeakPolarHBondContact CA-O 3.38Å
182K98.9Very high98.3Very high73 Ų7334.4 Ų34.432%0.31718%0.181SC..EExtended strand (participates in β ladder)trans-138.2139.3176.9-47.4-176.383.2166.90108.8S25 V26 S207S25-K182 WeakPolarHBondContact O-CA 3.25Å; V26-K182 HydrophobicContact CG1-CB 4.25Å; V26-K182 HydrophobicContact CG1-CG 3.94Å; K182-S207 PolarHBondContact N-O 2.83Å; K182-S207 PolarHBondContact O-N 3.32Å
183T98.9Very high98Very high3 Ų342.9 Ų42.92%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-13514417863.40000109.5E24 S25 A158 L161 N162 M165 V205 I206E24-T183 CarbonylContact C-O 3.51Å; E24-T183 VanDerWaalsContact CA-O 3.27Å; E24-T183 WeakPolarHBondContact CA-O 3.3Å; S25-T183 PolarHBondContact N-O 3.29Å; S25-T183 PolarHBondContact O-N 3.05Å; S25-T183 VanDerWaalsContact O-O 3.11Å; S25-T183 PolarHBondContact O-OG1 3.07Å; A158-T183 WeakPolarHBondContact CA-OG1 3.37Å; A158-T183 PolarHBondContact O-OG1 2.72Å; L161-T183 HydrophobicContact CB-CG2 3.69Å; L161-T183 HydrophobicContact CD1-CG2 4.45Å; N162-T183 WeakPolarHBondContact ND2-CG2 3.47Å; N162-T183 PolarHBondContact ND2-OG1 3.05Å; M165-T183 HydrophobicContact CE-CG2 3.58Å; T183-V205 CarbonylContact C-O 3.6Å; T183-V205 VanDerWaalsContact CA-O 3.22Å; T183-V205 WeakPolarHBondContact CA-O 3.3Å; T183-I206 HydrophobicContact CG2-CG1 4.28Å; T183-I206 HydrophobicContact CG2-CG2 4.43Å
184Q98.9Very high97.9Very high74 Ų7439.9 Ų39.935%0.34618%0.182SC..EExtended strand (participates in β ladder)trans-135.3135.1173.8-171.1178-83.900109.2T22 S23 E24 I204 V205T22-Q184 VanDerWaalsContact CG2-CD 3.43Å; T22-Q184 HydrophobicContact CG2-CG 3.26Å; S23-Q184 WeakPolarHBondContact O-CA 3.46Å; E24-Q184 HydrophobicContact CB-CB 4.25Å; E24-Q184 HydrophobicContact CB-CG 4.19Å; Q184-I204 WeakPolarHBondContact O-CA 3.47Å; Q184-V205 HydrophobicContact CB-CB 3.93Å; Q184-V205 HydrophobicContact CB-CG2 4.06Å; Q184-V205 PolarHBondContact N-O 3.21Å; Q184-V205 PolarHBondContact O-N 3.5Å
185V98.9Very high97.8Very high0 Ų039.7 Ų39.70%018%0.18CC..EExtended strand (participates in β ladder)trans-126.5122-178.8-1750000108.8T22 S23 L157 A158 L161 V187 V201T22-V185 WeakPolarHBondContact CA-O 3.47Å; S23-V185 PolarHBondContact N-O 3.49Å; S23-V185 PolarHBondContact O-N 2.99Å; L157-V185 HydrophobicContact CB-CG1 4.27Å; L157-V185 HydrophobicContact CB-CG2 4.11Å; L157-V185 HydrophobicContact CD1-CG1 4.2Å; A158-V185 HydrophobicContact CB-CG2 4.1Å; L161-V185 HydrophobicContact CD1-CG2 3.73Å; V185-V187 HydrophobicContact CG1-CG2 4.02Å; V185-V201 HydrophobicContact CG1-CG1 4.1Å; V185-V201 HydrophobicContact CG1-CG2 4.3Å
186T98.9Very high97.8Very high12 Ų1235.7 Ų35.77%0.07415%0.154CC..EExtended strand (participates in β ladder)trans-103122.9171.5-54.60000108.6L20 F21 T22 H202 T203L20-T186 HydrophobicContact CB-CG2 3.97Å; L20-T186 HydrophobicContact CD1-CG2 4.36Å; L20-T186 HydrophobicContact CD2-CG2 4.46Å; L20-T186 HydrophobicContact CG-CG2 4.5Å; F21-T186 CarbonylContact O-C 3.53Å; F21-T186 VanDerWaalsContact O-CA 3.29Å; F21-T186 WeakPolarHBondContact O-CA 3.21Å; T22-T186 WeakPolarHBondContact CG2-OG1 3.36Å; T22-T186 WeakPolarHBondContact OG1-CB 3.35Å; T22-T186 WeakPolarHBondContact OG1-CG2 3.48Å; T22-T186 PolarHBondContact OG1-OG1 3.08Å; T186-H202 HydrophobicContact CG2-CB 4.12Å; T186-H202 PolarHBondContact O-N 3.04Å; T186-T203 PolarHBondContact N-O 3.48Å; T186-T203 PolarHBondContact O-N 3Å
187V98.8Very high97.7Very high0 Ų037.6 Ų37.60%017%0.165CC..EExtended strand (participates in β ladder)trans-113.4139.4178172.70000108.7L20 F21 T154 V185 Y189 P198 R200 V201L20-V187 WeakPolarHBondContact CA-O 3.36Å; F21-V187 PolarHBondContact N-O 3.4Å; F21-V187 PolarHBondContact O-N 3.35Å; T154-V187 HydrophobicContact CG2-CB 3.66Å; T154-V187 HydrophobicContact CG2-CG2 3.6Å; V185-V187 HydrophobicContact CG1-CG2 4.02Å; V187-Y189 HydrophobicContact CB-CD2 4.03Å; V187-Y189 HydrophobicContact CB-CE2 3.47Å; V187-Y189 VanDerWaalsContact CB-CE2 3.47Å; V187-Y189 HydrophobicContact CG1-CD2 3.75Å; V187-Y189 HydrophobicContact CG1-CE1 4.31Å; V187-Y189 HydrophobicContact CG1-CE2 3.41Å; V187-Y189 VanDerWaalsContact CG1-CE2 3.41Å; V187-Y189 HydrophobicContact CG1-CG 4.33Å; V187-Y189 WeakPolarHBondContact O-CD2 3.32Å; V187-P198 HydrophobicContact CG1-CB 4.02Å; V187-R200 WeakPolarHBondContact CA-O 3.16Å; V187-R200 WeakPolarHBondContact CG1-O 3.37Å; V187-V201 HydrophobicContact CG2-CG2 4.14Å
188Q98.6Very high97.7Very high11 Ų1138.5 Ų38.55%0.05117%0.172CC..EExtended strand (participates in β ladder)trans-83.7128.3166.9-178.2176.6-300109.1C18 F19 L20 V199 R200C18-Q188 HydrophobicContact CB-CG 4.13Å; F19-Q188 WeakPolarHBondContact O-CA 3.47Å; L20-Q188 HydrophobicContact CD2-CB 3.76Å; L20-Q188 HydrophobicContact CD2-CG 4.18Å; Q188-V199 HydrophobicContact CG-CB 4.49Å; Q188-V199 WeakPolarHBondContact O-CB 3.46Å; Q188-V199 PolarHBondContact O-N 2.77Å; Q188-R200 HydrophobicContact CB-CG 3.93Å; Q188-R200 PolarHBondContact N-O 3.15Å
189Y98.1Very high97.7Very high0 Ų038.8 Ų38.80%018%0.178CC..EExtended strand (participates in β ladder)trans-119.5150.6-178.9-76.1-90.6000110.9C18 F19 F21 E146 T154 V187 M196 L197 P198 W275C18-Y189 CarbonylContact C-O 3.46Å; C18-Y189 VanDerWaalsContact CA-O 3.23Å; C18-Y189 WeakPolarHBondContact CA-O 3.36Å; F19-Y189 HydrophobicContact CE2-CD2 4.35Å; F19-Y189 HydrophobicContact CE2-CG 4.41Å; F19-Y189 HydrophobicContact CZ-CD2 4.41Å; F19-Y189 HydrophobicContact CZ-CG 4.02Å; F19-Y189 PolarHBondContact N-O 2.99Å; F19-Y189 PolarHBondContact O-N 2.95Å; F21-Y189 HydrophobicContact CB-CD2 4.06Å; F21-Y189 HydrophobicContact CB-CE2 4.02Å; E146-Y189 VanDerWaalsContact OE1-CE1 3.3Å; E146-Y189 WeakPolarHBondContact OE1-CE1 3.49Å; E146-Y189 PolarHBondContact OE1-OH 3.46Å; T154-Y189 HydrophobicContact CG2-CE2 3.82Å; V187-Y189 HydrophobicContact CB-CD2 4.03Å; V187-Y189 HydrophobicContact CB-CE2 3.47Å; V187-Y189 VanDerWaalsContact CB-CE2 3.47Å; V187-Y189 HydrophobicContact CG1-CD2 3.75Å; V187-Y189 HydrophobicContact CG1-CE1 4.31Å; V187-Y189 HydrophobicContact CG1-CE2 3.41Å; V187-Y189 VanDerWaalsContact CG1-CE2 3.41Å; V187-Y189 HydrophobicContact CG1-CG 4.33Å; V187-Y189 WeakPolarHBondContact O-CD2 3.32Å; Y189-M196 HydrophobicContact CD1-CB 3.8Å; Y189-M196 HydrophobicContact CE1-CB 4.06Å; Y189-L197 WeakPolarHBondContact CA-O 3.48Å; Y189-P198 HydrophobicContact CD1-CB 4.38Å; Y189-P198 HydrophobicContact CD1-CG 4.27Å; Y189-P198 HydrophobicContact CE1-CB 4.03Å; Y189-P198 HydrophobicContact CE1-CG 3.67Å; Y189-W275 HydrophobicContact CD2-CZ2 4.16Å; Y189-W275 HydrophobicContact CE1-CZ2 4.46Å; Y189-W275 HydrophobicContact CE2-CH2 4.5Å; Y189-W275 AromaticContact CE2-CZ2 3.73Å; Y189-W275 HydrophobicContact CE2-CZ2 3.73Å; Y189-W275 AromaticContact CZ-CZ2 3.91Å
190R97.1Very high97.6Very high102 Ų10239.9 Ų39.939%0.38518%0.181SC..EExtended strand (participates in β ladder)trans-110.3142.7161.9-163.1-173.4-48.9124.16109.1L197 V199R190-L197 PolarHBondContact N-O 3.02Å; R190-L197 PolarHBondContact O-N 2.78Å; R190-V199 HydrophobicContact CB-CG2 4.06Å
191Q94.9Very high97.6Very high114 Ų11439.6 Ų39.653%0.53318%0.18SC..EExtended strand (participates in β ladder)trans-88132.7174.3-177.3169.2-4.900110.9M196Q191-M196 HydrophobicContact CB-CE 3.96Å; Q191-M196 HydrophobicContact CG-CE 3.64Å
192D94.4Very high97.6Very high57 Ų5740.8 Ų40.831%0.30519%0.185SC..EExtended strand (participates in β ladder)trans-124.497.5173.217431.6000109.6G194 A195 L197 R313D192-G194 PolarHBondContact O-N 3.24Å; D192-A195 PolarHBondContact N-O 3.37Å; D192-A195 WeakPolarHBondContact O-CB 3.29Å; D192-A195 PolarHBondContact O-N 3.48Å; D192-L197 HydrophobicContact CB-CD1 3.66Å; D192-L197 HydrophobicContact CB-CG 4.03Å; D192-R313 IonicContact OD2-CZ 3.92Å; D192-R313 IonicContact OD2-NH1 3.25Å; D192-R313 PolarHBondContact OD2-NH1 3.07Å; D192-R313 IonicContact OD2-NH2 3.9Å
193R93.1Very high97.6Very high222 Ų22238 Ų3884%0.83817%0.174SC*.THydrogen-bonded Turntrans48.938.8179.5-57.6179.7-176.2-177.91.4113.4
194G95.6Very high97.6Very high3 Ų337.9 Ų37.93%0.03117%0.173CC..THydrogen-bonded Turntrans93.3-13.7-179.800000115.7D192 R314 Y336D192-G194 PolarHBondContact O-N 3.24Å; G194-R314 PolarHBondContact O-NE 2.9Å; G194-R314 PolarHBondContact O-NH2 3.07Å; G194-R314 VanDerWaalsContact O-NH2 3.08Å; G194-Y336 WeakPolarHBondContact CA-O 3.42Å
195A97.6Very high97.6Very high0 Ų035.9 Ų35.90%017%0.166CC..EExtended strand (participates in β ladder)trans-84.5157.6168.800000110.8D192 R313 T338D192-A195 PolarHBondContact N-O 3.37Å; D192-A195 WeakPolarHBondContact O-CB 3.29Å; D192-A195 PolarHBondContact O-N 3.48Å; A195-R313 HydrophobicContact CB-CB 3.97Å; A195-T338 HydrophobicContact CB-CG2 4.25Å
196M97.4Very high97.6Very high4 Ų435.9 Ų35.92%0.0217%0.166CC..EExtended strand (participates in β ladder)trans-108.3127.8-174.9-53.5-70.78700109.8F19 E146 Y189 Q191 W275 R314F19-M196 HydrophobicContact CE1-CE 4.49Å; F19-M196 HydrophobicContact CE1-SD 3.96Å; F19-M196 HydrophobicContact CZ-CE 4.5Å; F19-M196 HydrophobicContact CZ-SD 3.43Å; F19-M196 WeakPolarHBondContact CZ-SD 3.43Å; E146-M196 WeakPolarHBondContact CB-O 3.26Å; Y189-M196 HydrophobicContact CD1-CB 3.8Å; Y189-M196 HydrophobicContact CE1-CB 4.06Å; Q191-M196 HydrophobicContact CB-CE 3.96Å; Q191-M196 HydrophobicContact CG-CE 3.64Å; M196-W275 HydrophobicContact CG-CH2 3.91Å; M196-W275 HydrophobicContact CG-CZ3 3.88Å; M196-W275 HydrophobicContact SD-CH2 3.77Å; M196-W275 HydrophobicContact SD-CZ3 3.73Å; M196-R314 VanDerWaalsContact CG-NH1 3.31Å; M196-R314 PolarHBondContact SD-NH1 3.08Å
197L97.8Very high97.6Very high56 Ų5636.4 Ų36.429%0.29317%0.17SC..EExtended strand (participates in β ladder)trans-112110.9176.9-61179.4000109.5Y189 R190 D192 V199Y189-L197 WeakPolarHBondContact CA-O 3.48Å; R190-L197 PolarHBondContact N-O 3.02Å; R190-L197 PolarHBondContact O-N 2.78Å; D192-L197 HydrophobicContact CB-CD1 3.66Å; D192-L197 HydrophobicContact CB-CG 4.03Å; L197-V199 PolarHBondContact O-N 2.98Å
198P98Very high97.6Very high24 Ų2436.5 Ų36.516%0.15617%0.17CC..EExtended strand (participates in β ladder)trans-63.3127.4173.2-15.326.1000110.6E146 L153 V187 Y189 Y236E146-P198 HydrophobicContact CB-CG 4.23Å; L153-P198 HydrophobicContact CB-CG 4.11Å; L153-P198 HydrophobicContact CD2-CB 3.51Å; L153-P198 HydrophobicContact CD2-CG 3.79Å; V187-P198 HydrophobicContact CG1-CB 4.02Å; Y189-P198 HydrophobicContact CD1-CB 4.38Å; Y189-P198 HydrophobicContact CD1-CG 4.27Å; Y189-P198 HydrophobicContact CE1-CB 4.03Å; Y189-P198 HydrophobicContact CE1-CG 3.67Å; P198-Y236 HydrophobicContact CB-CE1 4.18Å
199V98Very high97.6Very high45 Ų4536 Ų3627%0.27317%0.168SC..EExtended strand (participates in β ladder)trans-99.3-56.4179.6-178.70000110.4Q188 R190 L197Q188-V199 HydrophobicContact CG-CB 4.49Å; Q188-V199 WeakPolarHBondContact O-CB 3.46Å; Q188-V199 PolarHBondContact O-N 2.77Å; R190-V199 HydrophobicContact CB-CG2 4.06Å; L197-V199 PolarHBondContact O-N 2.98Å
200R98.4Very high97.7Very high26 Ų2636.3 Ų36.310%0.09817%0.17CC..EExtended strand (participates in β ladder)trans-156.5160.9-179.259.4172.6-68.8-91.95.1111.5V187 Q188 D238 D240 T241V187-R200 WeakPolarHBondContact CA-O 3.16Å; V187-R200 WeakPolarHBondContact CG1-O 3.37Å; Q188-R200 HydrophobicContact CB-CG 3.93Å; Q188-R200 PolarHBondContact N-O 3.15Å; R200-D238 VanDerWaalsContact CD-OD2 3.25Å; R200-D238 WeakPolarHBondContact CD-OD2 3.27Å; R200-D238 IonicContact CZ-OD1 3.77Å; R200-D238 IonicContact CZ-OD2 2.66Å; R200-D238 VanDerWaalsContact NE-CG 3.33Å; R200-D238 IonicContact NE-OD1 3.64Å; R200-D238 PolarHBondContact NE-OD1 2.84Å; R200-D238 IonicContact NE-OD2 2.86Å; R200-D238 PolarHBondContact NE-OD2 2.89Å; R200-D238 IonicContact NH2-OD1 2.68Å; R200-D238 PolarHBondContact NH2-OD1 2.75Å; R200-D238 IonicContact NH2-OD2 3.74Å; R200-D240 PolarHBondContact NH2-O 3.07Å; R200-T241 VanDerWaalsContact NH2-CA 3.31Å; R200-T241 PolarHBondContact NH2-OG1 2.88Å
201V98.8Very high97.7Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-82.2117.7168.41730000108.6L157 V185 V187 I204 V232 Y236 L237 T241L157-V201 HydrophobicContact CD1-CG2 3.94Å; V185-V201 HydrophobicContact CG1-CG1 4.1Å; V185-V201 HydrophobicContact CG1-CG2 4.3Å; V187-V201 HydrophobicContact CG2-CG2 4.14Å; V201-I204 HydrophobicContact CG1-CD1 3.88Å; V201-I204 HydrophobicContact CG1-CG1 3.47Å; V201-I204 VanDerWaalsContact CG1-CG1 3.47Å; V201-V232 HydrophobicContact CG2-CG1 3.93Å; V201-Y236 WeakPolarHBondContact CB-O 3.19Å; V201-Y236 PolarHBondContact N-O 3.25Å; V201-L237 HydrophobicContact CB-CD2 4.23Å; V201-T241 HydrophobicContact CG1-CG2 4.2Å; V201-T241 WeakPolarHBondContact O-CG2 3.14Å; V201-T241 PolarHBondContact O-OG1 3.41Å
202H98.7Very high97.9Very high31 Ų3132.5 Ų32.514%0.14416%0.157CC..EExtended strand (participates in β ladder)trans-81.1-45.4179179-77.3000111.8L20 T186 I242L20-H202 HydrophobicContact CD2-CB 3.88Å; T186-H202 HydrophobicContact CG2-CB 4.12Å; T186-H202 PolarHBondContact O-N 3.04Å; H202-I242 PolarHBondContact O-N 2.89Å
203T98.9Very high98.1Very high15 Ų1537.3 Ų37.39%0.09218%0.178CC..EExtended strand (participates in β ladder)trans-146139.6-177.1-55.40000111.7T186 V205 I242T186-T203 PolarHBondContact N-O 3.48Å; T186-T203 PolarHBondContact O-N 3Å; T203-V205 HydrophobicContact CG2-CG2 4.42Å; T203-I242 CarbonylContact C-O 3.56Å; T203-I242 VanDerWaalsContact CA-O 3.31Å; T203-I242 WeakPolarHBondContact CA-O 3.3Å; T203-I242 HydrophobicContact CG2-CB 4.14Å; T203-I242 HydrophobicContact CG2-CG2 4.18Å
204I98.9Very high98.3Very high0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-122.2129.1169.4-57.2179000109.1L161 Q184 V201 I206 I228 V232 L237 I242 Y243 H244L161-I204 HydrophobicContact CD1-CG2 4.03Å; Q184-I204 WeakPolarHBondContact O-CA 3.47Å; V201-I204 HydrophobicContact CG1-CD1 3.88Å; V201-I204 HydrophobicContact CG1-CG1 3.47Å; V201-I204 VanDerWaalsContact CG1-CG1 3.47Å; I204-I206 HydrophobicContact CG2-CD1 4.31Å; I204-I206 HydrophobicContact CG2-CG1 3.98Å; I204-I228 HydrophobicContact CB-CD1 4.34Å; I204-I228 HydrophobicContact CD1-CD1 4.19Å; I204-I228 HydrophobicContact CD1-CG1 4.23Å; I204-I228 HydrophobicContact CD1-CG2 3.61Å; I204-I228 HydrophobicContact CG2-CD1 3.81Å; I204-I228 HydrophobicContact CG2-CG1 4.19Å; I204-V232 HydrophobicContact CD1-CG2 4.02Å; I204-L237 HydrophobicContact CD1-CD2 4.18Å; I204-I242 PolarHBondContact N-O 3.34Å; I204-Y243 HydrophobicContact CB-CD1 4.41Å; I204-Y243 HydrophobicContact CD1-CE1 4.18Å; I204-H244 PolarHBondContact O-N 3.11Å
205V98.9Very high98.5Very high31 Ų3130.5 Ų30.519%0.18816%0.16CC..EExtended strand (participates in β ladder)trans-111132.3169.2-169.70000108.6T183 Q184 T203 H244 P247T183-V205 CarbonylContact C-O 3.6Å; T183-V205 VanDerWaalsContact CA-O 3.22Å; T183-V205 WeakPolarHBondContact CA-O 3.3Å; Q184-V205 HydrophobicContact CB-CB 3.93Å; Q184-V205 HydrophobicContact CB-CG2 4.06Å; Q184-V205 PolarHBondContact N-O 3.21Å; Q184-V205 PolarHBondContact O-N 3.5Å; T203-V205 HydrophobicContact CG2-CG2 4.42Å; V205-H244 WeakPolarHBondContact CA-O 3.37Å; V205-H244 HydrophobicContact CB-CB 4.34Å; V205-H244 HydrophobicContact CG1-CB 4.11Å; V205-H244 HydrophobicContact CG2-CB 4.1Å; V205-P247 HydrophobicContact CG1-CG 4.16Å
206I98.9Very high98.5Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-132.6124.2168.1-54.5-174.5000108.9L161 M165 T183 I204 L223 V227 I228 H244 L245 Q246 P247L161-I206 HydrophobicContact CD2-CD1 4.29Å; M165-I206 HydrophobicContact CE-CG2 3.95Å; M165-I206 HydrophobicContact SD-CG2 3.61Å; T183-I206 HydrophobicContact CG2-CG1 4.28Å; T183-I206 HydrophobicContact CG2-CG2 4.43Å; I204-I206 HydrophobicContact CG2-CD1 4.31Å; I204-I206 HydrophobicContact CG2-CG1 3.98Å; I206-L223 HydrophobicContact CB-CD1 4.32Å; I206-L223 HydrophobicContact CG2-CD1 4.04Å; I206-L223 HydrophobicContact CG2-CD2 3.97Å; I206-V227 HydrophobicContact CD1-CG1 4.31Å; I206-I228 HydrophobicContact CD1-CD1 3.84Å; I206-I228 HydrophobicContact CD1-CG1 3.7Å; I206-H244 PolarHBondContact N-O 3.31Å; I206-L245 HydrophobicContact CB-CD2 4.05Å; I206-L245 HydrophobicContact CD1-CD2 4.23Å; I206-L245 HydrophobicContact CG1-CD2 4.01Å; I206-Q246 PolarHBondContact O-N 2.94Å; I206-P247 WeakPolarHBondContact O-CD 3.36Å
207S98.9Very high98.6Very high24 Ų2437.5 Ų37.517%0.16819%0.194CC..EExtended strand (participates in β ladder)trans-123.6120.3166.5-64.90000108.3S181 K182S181-S207 CarbonylContact C-O 3.57Å; S181-S207 WeakPolarHBondContact CA-O 3.38Å; K182-S207 PolarHBondContact N-O 2.83Å; K182-S207 PolarHBondContact O-N 3.32Å
208V98.9Very high98.6Very high1 Ų140.2 Ų40.21%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-132.4139.3178.260.70000110.2M165 W176 L177 L223 Q246M165-V208 HydrophobicContact SD-CB 3.9Å; M165-V208 HydrophobicContact SD-CG1 4.14Å; M165-V208 HydrophobicContact SD-CG2 4.14Å; W176-V208 HydrophobicContact CZ3-CG1 4.15Å; L177-V208 HydrophobicContact CD2-CB 4.21Å; L177-V208 HydrophobicContact CD2-CG1 3.64Å; L177-V208 HydrophobicContact CD2-CG2 3.51Å; V208-L223 HydrophobicContact CG1-CD1 4.35Å; V208-L223 HydrophobicContact CG1-CD2 4.13Å; V208-Q246 PolarHBondContact O-NE2 2.74Å; V208-Q246 PolarHBondContact O-OE1 3.14Å
209Q98.9Very high98.6Very high2 Ų239.2 Ų39.21%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-65.1138.8174.5-174.6-162.612.200109.3Y93 K98 R178 D180 F251 V252Y93-Q209 PolarHBondContact OH-OE1 2.89Å; K98-Q209 PolarHBondContact O-NE2 3.48Å; K98-Q209 VanDerWaalsContact O-NE2 3.07Å; R178-Q209 HydrophobicContact CB-CB 3.79Å; R178-Q209 VanDerWaalsContact CB-CD 3.45Å; R178-Q209 HydrophobicContact CB-CG 3.62Å; R178-Q209 WeakPolarHBondContact CB-O 3.43Å; R178-Q209 VanDerWaalsContact CB-OE1 3.24Å; R178-Q209 HydrophobicContact CG-CG 4.08Å; R178-Q209 PolarHBondContact N-O 3.4Å; D180-Q209 HydrophobicContact CB-CB 3.96Å; D180-Q209 WeakPolarHBondContact O-CB 3.4Å; D180-Q209 PolarHBondContact O-N 2.94Å; Q209-F251 WeakPolarHBondContact CA-O 3.31Å; Q209-F251 WeakPolarHBondContact CG-O 3.39Å; Q209-V252 WeakPolarHBondContact CG-O 3.3Å; Q209-V252 PolarHBondContact NE2-O 2.82Å
210H98.9Very high98.7Very high6 Ų641.7 Ų41.73%0.02820%0.203CC..EExtended strand (participates in β ladder)trans-136.1169.9-176.461.889.6000112.2W176 I214 M219 Q246 F251W176-H210 HydrophobicContact CE3-CB 3.76Å; W176-H210 HydrophobicContact CZ3-CB 4.16Å; W176-H210 WeakPolarHBondContact O-CA 3.39Å; H210-I214 HydrophobicContact CB-CG2 3.88Å; H210-M219 HydrophobicContact CB-SD 3.69Å; H210-M219 PolarHBondContact CD2-SD 3.12Å; H210-Q246 PolarHBondContact CD2-NE2 3.44Å; H210-F251 PolarHBondContact CD2-O 3.36Å; H210-F251 PolarHBondContact N-O 3.41Å; H210-F251 VanDerWaalsContact N-O 3.09Å; H210-F251 PolarHBondContact NE2-N 3.01Å
211D98.6Very high98.7Very high26 Ų2645.6 Ų45.614%0.13923%0.226CC..  trans-76.4177.2172.568.117.3000112.9W176 R178 E213 I214W176-D211 WeakPolarHBondContact CA-OD2 3.41Å; W176-D211 WeakPolarHBondContact CB-OD1 3.4Å; W176-D211 WeakPolarHBondContact CB-OD2 3.2Å; W176-D211 PolarHBondContact O-N 2.71Å; W176-D211 VanDerWaalsContact O-N 3.13Å; R178-D211 VanDerWaalsContact NH2-CB 3.3Å; D211-E213 VanDerWaalsContact C-N 3.33Å; D211-E213 WeakPolarHBondContact CB-OE2 3.34Å; D211-E213 VanDerWaalsContact CG-OE2 3.22Å; D211-E213 PolarHBondContact OD1-N 3.49Å; D211-I214 WeakPolarHBondContact OD1-CG2 3.45Å; D211-I214 PolarHBondContact OD1-N 2.92Å
212E98.2Very high98.7Very high110 Ų11046.2 Ų46.251%0.51423%0.231SC..SBendtrans-78.1-22.4-176.2-73.5-70.4-174.100112.7R250 V252E212-R250 IonicContact OE1-CZ 3.94Å; E212-R250 IonicContact OE1-NH2 3.25Å; E212-R250 PolarHBondContact OE1-NH2 3.16Å; E212-R250 IonicContact OE2-CZ 3.14Å; E212-R250 IonicContact OE2-NH1 2.76Å; E212-R250 PolarHBondContact OE2-NH1 2.7Å; E212-R250 IonicContact OE2-NH2 3.92Å; E212-R250 PolarHBondContact OE2-NH2 3.37Å; E212-V252 HydrophobicContact CG-CG1 3.98Å; E212-V252 WeakPolarHBondContact OE1-CG1 3.44Å
213E98.3Very high98.7Very high157 Ų15744.8 Ų44.873%0.73422%0.224SC*.SBendtrans-87.1-34.3-168.6-60.699.2149.700114D211D211-E213 VanDerWaalsContact C-N 3.33Å; D211-E213 WeakPolarHBondContact CB-OE2 3.34Å; D211-E213 VanDerWaalsContact CG-OE2 3.22Å; D211-E213 PolarHBondContact OD1-N 3.49Å
214I98.5Very high98.7Very high30 Ų3047.6 Ų47.615%0.15424%0.235CC..  trans-69.4133.2-176.3-166.372.1000112.2W176 H210 D211 E218 M219W176-I214 HydrophobicContact CB-CB 3.95Å; W176-I214 HydrophobicContact CB-CG1 4.42Å; W176-I214 HydrophobicContact CB-CG2 3.96Å; W176-I214 HydrophobicContact CD2-CB 4.36Å; W176-I214 HydrophobicContact CD2-CG1 4.01Å; W176-I214 HydrophobicContact CD2-CG2 4.12Å; W176-I214 HydrophobicContact CE3-CG2 4.08Å; W176-I214 HydrophobicContact CG-CB 3.98Å; W176-I214 HydrophobicContact CG-CD1 4.15Å; W176-I214 HydrophobicContact CG-CG1 3.9Å; W176-I214 HydrophobicContact CG-CG2 4.09Å; H210-I214 HydrophobicContact CB-CG2 3.88Å; D211-I214 WeakPolarHBondContact OD1-CG2 3.45Å; D211-I214 PolarHBondContact OD1-N 2.92Å; I214-E218 HydrophobicContact CD1-CB 3.89Å; I214-E218 WeakPolarHBondContact CD1-OE2 3.31Å; I214-E218 HydrophobicContact CG1-CB 4.38Å; I214-M219 HydrophobicContact CB-CG 4.31Å; I214-M219 HydrophobicContact CG1-CG 3.59Å; I214-M219 HydrophobicContact CG2-CE 4.25Å; I214-M219 HydrophobicContact CG2-CG 3.73Å; I214-M219 HydrophobicContact CG2-SD 3.66Å
215C98.3Very high98.7Very high52 Ų5252.2 Ų52.235%0.35126%0.257SS..  trans-84.4161.3176.878.10000112.4E217 E218 M219C215-E217 PolarHBondContact O-N 3.06Å; C215-E218 PolarHBondContact O-N 2.97Å; C215-E218 WeakPolarHBondContact SG-CG 3.27Å; C215-M219 WeakPolarHBondContact O-CG 3.34Å; C215-M219 PolarHBondContact O-N 2.92Å; C215-M219 VanDerWaalsContact O-N 3.16Å
216L98.5Very high98.7Very high36 Ų3655.4 Ų55.419%0.18827%0.268CS..Hα-helixtrans-65.3-39.4-173.1-178.657.9000112.8M219 R220 Q246L216-M219 HydrophobicContact CB-CE 4.48Å; L216-M219 HydrophobicContact CD1-CE 4.12Å; L216-M219 PolarHBondContact O-N 3.44Å; L216-R220 HydrophobicContact CD1-CG 4.34Å; L216-R220 VanDerWaalsContact O-CG 3.26Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 2.71Å; L216-Q246 HydrophobicContact CD1-CB 3.51Å; L216-Q246 HydrophobicContact CD1-CG 4.31Å
217E98.5Very high98.7Very high116 Ų11655.4 Ų55.454%0.54227%0.268SS..Hα-helixtrans-63.4-48.9179.9-66.470.7-15500111.1C215 M219 R220 D221C215-E217 PolarHBondContact O-N 3.06Å; E217-M219 VanDerWaalsContact C-N 3.32Å; E217-M219 PolarHBondContact O-N 3.1Å; E217-R220 PolarHBondContact O-N 3.22Å; E217-R220 VanDerWaalsContact O-N 3.16Å; E217-D221 PolarHBondContact O-N 2.68Å
218E98.6Very high98.7Very high113 Ų11354.3 Ų54.353%0.52826%0.26SS..Hα-helixtrans-62.1-38.5178-73176.7166.100112.2I214 C215 A222I214-E218 HydrophobicContact CD1-CB 3.89Å; I214-E218 WeakPolarHBondContact CD1-OE2 3.31Å; I214-E218 HydrophobicContact CG1-CB 4.38Å; C215-E218 PolarHBondContact O-N 2.97Å; C215-E218 WeakPolarHBondContact SG-CG 3.27Å; E218-A222 VanDerWaalsContact O-CB 3.27Å; E218-A222 WeakPolarHBondContact O-CB 3.32Å; E218-A222 PolarHBondContact O-N 3.39Å
219M98.8Very high98.7Very high2 Ų259.6 Ų59.61%0.0128%0.283CS..Hα-helixtrans-61.8-48.1173.4-73.4-168.4-76.900111.6W176 H210 I214 C215 L216 E217 D221 A222 L223 Q246W176-M219 HydrophobicContact CD2-CG 4.48Å; W176-M219 HydrophobicContact CE3-CG 4.1Å; W176-M219 HydrophobicContact CE3-SD 4.22Å; W176-M219 HydrophobicContact CH2-CB 4.03Å; W176-M219 HydrophobicContact CH2-CG 3.72Å; W176-M219 HydrophobicContact CH2-SD 4.41Å; W176-M219 HydrophobicContact CZ2-CB 4.47Å; W176-M219 HydrophobicContact CZ2-CG 4.12Å; W176-M219 HydrophobicContact CZ3-CB 4.4Å; W176-M219 HydrophobicContact CZ3-CG 3.7Å; W176-M219 HydrophobicContact CZ3-SD 3.84Å; H210-M219 HydrophobicContact CB-SD 3.69Å; H210-M219 PolarHBondContact CD2-SD 3.12Å; I214-M219 HydrophobicContact CB-CG 4.31Å; I214-M219 HydrophobicContact CG1-CG 3.59Å; I214-M219 HydrophobicContact CG2-CE 4.25Å; I214-M219 HydrophobicContact CG2-CG 3.73Å; I214-M219 HydrophobicContact CG2-SD 3.66Å; C215-M219 WeakPolarHBondContact O-CG 3.34Å; C215-M219 PolarHBondContact O-N 2.92Å; C215-M219 VanDerWaalsContact O-N 3.16Å; L216-M219 HydrophobicContact CB-CE 4.48Å; L216-M219 HydrophobicContact CD1-CE 4.12Å; L216-M219 PolarHBondContact O-N 3.44Å; E217-M219 VanDerWaalsContact C-N 3.32Å; E217-M219 PolarHBondContact O-N 3.1Å; M219-D221 VanDerWaalsContact C-N 3.34Å; M219-D221 PolarHBondContact O-N 2.82Å; M219-A222 PolarHBondContact O-N 3.41Å; M219-L223 WeakPolarHBondContact O-CB 3.32Å; M219-L223 WeakPolarHBondContact O-CG 3.23Å; M219-L223 PolarHBondContact O-N 3.48Å; M219-Q246 HydrophobicContact CB-CG 4.21Å; M219-Q246 HydrophobicContact CE-CG 4.3Å; M219-Q246 HydrophobicContact SD-CG 4.09Å
220R98.8Very high98.6Very high97 Ų9762.4 Ų62.437%0.36631%0.307SS..Hα-helixtrans-61.1-44.2-178.4-73.4175.8167.6161.6-1.1111.6L216 E217 L223 K224 L245L216-R220 HydrophobicContact CD1-CG 4.34Å; L216-R220 VanDerWaalsContact O-CG 3.26Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 2.71Å; E217-R220 PolarHBondContact O-N 3.22Å; E217-R220 VanDerWaalsContact O-N 3.16Å; R220-L223 PolarHBondContact O-N 3.25Å; R220-K224 WeakPolarHBondContact O-CB 3.41Å; R220-K224 PolarHBondContact O-N 3.4Å; R220-L245 HydrophobicContact CB-CB 4.37Å; R220-L245 HydrophobicContact CG-CB 3.95Å; R220-L245 WeakPolarHBondContact CG-O 3.36Å; R220-L245 PolarHBondContact NE-O 3.35Å; R220-L245 WeakPolarHBondContact O-CD1 3.35Å
221D98.8Very high98.6Very high109 Ų10963.3 Ų63.358%0.58331%0.313SS*.Hα-helixtrans-64-46.4177.7-72.8-9.9000111.3E217 M219 L223 K224 E225E217-D221 PolarHBondContact O-N 2.68Å; M219-D221 VanDerWaalsContact C-N 3.34Å; M219-D221 PolarHBondContact O-N 2.82Å; D221-L223 PolarHBondContact O-N 2.81Å; D221-K224 PolarHBondContact O-N 2.83Å; D221-E225 WeakPolarHBondContact O-CB 3.38Å; D221-E225 WeakPolarHBondContact O-CG 3.48Å; D221-E225 PolarHBondContact O-N 3.03Å
222A98.8Very high98.7Very high13 Ų1362.2 Ų62.211%0.10731%0.307CS..Hα-helixtrans-62.9-42.3177.800000112.8L174 W176 E218 M219 K224 K226L174-A222 HydrophobicContact CD1-CB 4.32Å; L174-A222 HydrophobicContact CD2-CB 3.86Å; W176-A222 HydrophobicContact CZ2-CB 3.95Å; E218-A222 VanDerWaalsContact O-CB 3.27Å; E218-A222 WeakPolarHBondContact O-CB 3.32Å; E218-A222 PolarHBondContact O-N 3.39Å; M219-A222 PolarHBondContact O-N 3.41Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-K224 PolarHBondContact O-N 2.89Å; A222-K226 WeakPolarHBondContact O-CA 3.38Å; A222-K226 VanDerWaalsContact O-CB 3.32Å; A222-K226 WeakPolarHBondContact O-CB 3.41Å; A222-K226 PolarHBondContact O-N 3.44Å
223L98.9Very high98.7Very high0 Ų059.8 Ų59.80%030%0.301CS..Iπ-helixtrans-63.7-39.5177-71.9176.2000111.5M165 W176 I206 V208 M219 R220 D221 V227 I228 L245 Q246M165-L223 HydrophobicContact SD-CD2 3.96Å; W176-L223 HydrophobicContact CH2-CD2 4.5Å; W176-L223 HydrophobicContact CH2-CG 4.48Å; I206-L223 HydrophobicContact CB-CD1 4.32Å; I206-L223 HydrophobicContact CG2-CD1 4.04Å; I206-L223 HydrophobicContact CG2-CD2 3.97Å; V208-L223 HydrophobicContact CG1-CD1 4.35Å; V208-L223 HydrophobicContact CG1-CD2 4.13Å; M219-L223 WeakPolarHBondContact O-CB 3.32Å; M219-L223 WeakPolarHBondContact O-CG 3.23Å; M219-L223 PolarHBondContact O-N 3.48Å; R220-L223 PolarHBondContact O-N 3.25Å; D221-L223 PolarHBondContact O-N 2.81Å; L223-V227 HydrophobicContact CD2-CG2 4.06Å; L223-V227 VanDerWaalsContact O-CB 3.29Å; L223-V227 WeakPolarHBondContact O-CB 3.48Å; L223-V227 PolarHBondContact O-N 3.37Å; L223-I228 PolarHBondContact O-N 2.94Å; L223-L245 HydrophobicContact CB-CD1 4.2Å; L223-L245 HydrophobicContact CB-CD2 4.5Å; L223-L245 HydrophobicContact CD1-CB 4.3Å; L223-Q246 HydrophobicContact CD1-CG 3.94Å
224K98.8Very high98.6Very high75 Ų7557.4 Ų57.433%0.32630%0.301SS..Iπ-helixtrans-68.9-53.8176.7-166.4175.1-175.4178.10111.8R220 D221 A222 K229 L245R220-K224 WeakPolarHBondContact O-CB 3.41Å; R220-K224 PolarHBondContact O-N 3.4Å; D221-K224 PolarHBondContact O-N 2.83Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-K224 PolarHBondContact O-N 2.89Å; K224-K229 PolarHBondContact O-N 2.66Å; K224-K229 VanDerWaalsContact O-N 3.09Å; K224-L245 HydrophobicContact CB-CD1 3.94Å
225E98.6Very high98.6Very high96 Ų9661.3 Ų61.345%0.44933%0.326SS..Iπ-helixtrans-79.7-38.7-169.2-63.7-55.6122.300113.5D221 K229D221-E225 WeakPolarHBondContact O-CB 3.38Å; D221-E225 WeakPolarHBondContact O-CG 3.48Å; D221-E225 PolarHBondContact O-N 3.03Å; E225-K229 WeakPolarHBondContact OE1-CE 3.23Å; E225-K229 IonicContact OE1-NZ 2.74Å; E225-K229 PolarHBondContact OE1-NZ 3.37Å; E225-K229 WeakPolarHBondContact OE2-CD 3.27Å; E225-K229 IonicContact OE2-NZ 2.73Å; E225-K229 PolarHBondContact OE2-NZ 3.04Å
226K98.8Very high98.6Very high99 Ų9961.3 Ų61.343%0.4332%0.319SS..Iπ-helixtrans-100.7-21.3-173.2-58.8-176.1179.8178.10113.9L168 T173 L174 A222 A230L168-K226 HydrophobicContact CD1-CB 3.98Å; T173-K226 HydrophobicContact CG2-CD 4.33Å; L174-K226 HydrophobicContact CD2-CD 4.1Å; L174-K226 HydrophobicContact CG-CD 4.5Å; A222-K226 WeakPolarHBondContact O-CA 3.38Å; A222-K226 VanDerWaalsContact O-CB 3.32Å; A222-K226 WeakPolarHBondContact O-CB 3.41Å; A222-K226 PolarHBondContact O-N 3.44Å; K226-A230 VanDerWaalsContact O-CB 3.32Å; K226-A230 WeakPolarHBondContact O-CB 3.44Å
227V98.9Very high98.6Very high0 Ų061.2 Ų61.20%032%0.319CS..Iπ-helixtrans-105.2-62.2180-174.50000110.6L161 K164 M165 L168 L174 I206 L223 A230 V231L161-V227 HydrophobicContact CD2-CG1 3.91Å; K164-V227 HydrophobicContact CB-CG1 4.21Å; K164-V227 HydrophobicContact CG-CG1 4.23Å; M165-V227 HydrophobicContact CG-CG1 3.81Å; M165-V227 HydrophobicContact CG-CG2 3.94Å; L168-V227 HydrophobicContact CD1-CG2 3.92Å; L174-V227 HydrophobicContact CD1-CG2 4.48Å; I206-V227 HydrophobicContact CD1-CG1 4.31Å; L223-V227 HydrophobicContact CD2-CG2 4.06Å; L223-V227 VanDerWaalsContact O-CB 3.29Å; L223-V227 WeakPolarHBondContact O-CB 3.48Å; L223-V227 PolarHBondContact O-N 3.37Å; V227-A230 PolarHBondContact O-N 3.04Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 2.99Å
228I98.9Very high98.6Very high1 Ų158.5 Ų58.51%0.00531%0.308CS..Iπ-helixtrans-65.1-54.9-173.9-69.6167.6000111.4L161 I204 I206 L223 A230 V231 V232 L237 Y243 L245L161-I228 HydrophobicContact CD2-CG1 3.94Å; I204-I228 HydrophobicContact CB-CD1 4.34Å; I204-I228 HydrophobicContact CD1-CD1 4.19Å; I204-I228 HydrophobicContact CD1-CG1 4.23Å; I204-I228 HydrophobicContact CD1-CG2 3.61Å; I204-I228 HydrophobicContact CG2-CD1 3.81Å; I204-I228 HydrophobicContact CG2-CG1 4.19Å; I206-I228 HydrophobicContact CD1-CD1 3.84Å; I206-I228 HydrophobicContact CD1-CG1 3.7Å; L223-I228 PolarHBondContact O-N 2.94Å; I228-A230 PolarHBondContact O-N 3.27Å; I228-A230 VanDerWaalsContact O-N 3.16Å; I228-V231 PolarHBondContact O-N 3.41Å; I228-V232 HydrophobicContact CG2-CB 4.39Å; I228-V232 HydrophobicContact CG2-CG2 4.08Å; I228-V232 PolarHBondContact O-N 3.32Å; I228-L237 HydrophobicContact CG2-CD1 4.06Å; I228-Y243 HydrophobicContact CD1-CD1 3.86Å; I228-Y243 HydrophobicContact CD1-CE1 4.16Å; I228-Y243 HydrophobicContact CG2-CE1 4.16Å; I228-L245 HydrophobicContact CD1-CD1 4.37Å; I228-L245 HydrophobicContact CD1-CD2 3.64Å
229K98.7Very high98.5Very high112 Ų11261.3 Ų61.349%0.48733%0.327SS..Hα-helixtrans-64.3-20.7-179.2-72-175.8178.9172.30113.9K224 E225K224-K229 PolarHBondContact O-N 2.66Å; K224-K229 VanDerWaalsContact O-N 3.09Å; E225-K229 WeakPolarHBondContact OE1-CE 3.23Å; E225-K229 IonicContact OE1-NZ 2.74Å; E225-K229 PolarHBondContact OE1-NZ 3.37Å; E225-K229 WeakPolarHBondContact OE2-CD 3.27Å; E225-K229 IonicContact OE2-NZ 2.73Å; E225-K229 PolarHBondContact OE2-NZ 3.04Å
230A98.7Very high98.5Very high60 Ų6065.9 Ų65.950%0.49635%0.351SS..Hα-helixtrans-80.9-18.7175.300000113.3K226 V227 I228K226-A230 VanDerWaalsContact O-CB 3.32Å; K226-A230 WeakPolarHBondContact O-CB 3.44Å; V227-A230 PolarHBondContact O-N 3.04Å; I228-A230 PolarHBondContact O-N 3.27Å; I228-A230 VanDerWaalsContact O-N 3.16Å
231V98.8Very high98.5Very high26 Ų2661.6 Ų61.616%0.15834%0.336CS..Hα-helixtrans-113.3-46.2-172.8168.80000112.2L157 K160 L161 K164 V227 I228 P233L157-V231 HydrophobicContact CD2-CG1 4.37Å; K160-V231 HydrophobicContact CB-CG1 3.43Å; K160-V231 VanDerWaalsContact CB-CG1 3.43Å; K160-V231 HydrophobicContact CB-CG2 4.45Å; L161-V231 HydrophobicContact CD2-CB 3.98Å; L161-V231 HydrophobicContact CD2-CG1 4.07Å; L161-V231 HydrophobicContact CD2-CG2 4.36Å; L161-V231 HydrophobicContact CG-CG1 4.13Å; K164-V231 HydrophobicContact CB-CG2 3.62Å; K164-V231 HydrophobicContact CG-CG2 3.94Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 2.99Å; I228-V231 PolarHBondContact O-N 3.41Å; V231-P233 WeakPolarHBondContact O-CD 3.43Å
232V98.8Very high98.5Very high3 Ų359.9 Ų59.92%0.01833%0.326CS..SBendtrans-87.3120.1-174.1-174.10000108.6L157 L161 V201 I204 I228 S234 L237L157-V232 HydrophobicContact CD1-CG1 4.31Å; L157-V232 HydrophobicContact CD2-CG2 4.34Å; L161-V232 HydrophobicContact CD2-CG2 4.46Å; V201-V232 HydrophobicContact CG2-CG1 3.93Å; I204-V232 HydrophobicContact CD1-CG2 4.02Å; I228-V232 HydrophobicContact CG2-CB 4.39Å; I228-V232 HydrophobicContact CG2-CG2 4.08Å; I228-V232 PolarHBondContact O-N 3.32Å; V232-S234 PolarHBondContact O-N 3.49Å; V232-L237 HydrophobicContact CB-CD1 4.15Å; V232-L237 HydrophobicContact CB-CD2 4.33Å; V232-L237 HydrophobicContact CB-CG 4.32Å; V232-L237 HydrophobicContact CG1-CD1 4.2Å; V232-L237 HydrophobicContact CG1-CD2 3.74Å; V232-L237 HydrophobicContact CG1-CG 3.82Å
233P98.4Very high98.5Very high59 Ų5962.2 Ų62.238%0.38333%0.332SS..  trans-53.7133.2174.9-27.135.4000111.3V231 V235 Y236V231-P233 WeakPolarHBondContact O-CD 3.43Å; P233-V235 HydrophobicContact CB-CG1 4.03Å; P233-V235 PolarHBondContact O-N 3.35Å; P233-V235 VanDerWaalsContact O-N 3.09Å; P233-Y236 HydrophobicContact CB-CD2 3.88Å; P233-Y236 HydrophobicContact CB-CE2 4.19Å; P233-Y236 HydrophobicContact CG-CD2 4.03Å; P233-Y236 HydrophobicContact CG-CE2 4.12Å; P233-Y236 PolarHBondContact O-N 3.49Å
234S97.9Very high98.5Very high106 Ų10666.5 Ų66.574%0.74135%0.352SS*.G310 helixtrans-60.6-24.8-174.659.40000113.6V232 Y236 L237V232-S234 PolarHBondContact O-N 3.49Å; S234-Y236 PolarHBondContact O-N 2.92Å; S234-L237 PolarHBondContact O-N 3.07Å; S234-L237 VanDerWaalsContact O-N 3.1Å; S234-L237 VanDerWaalsContact O-O 3.12Å
235V97.9Very high98.5Very high113 Ų11363.6 Ų63.669%0.68534%0.34SS*.G310 helixtrans-60.4-22.2174.868.70000113.2P233P233-V235 HydrophobicContact CB-CG1 4.03Å; P233-V235 PolarHBondContact O-N 3.35Å; P233-V235 VanDerWaalsContact O-N 3.09Å
236Y98.5Very high98.5Very high51 Ų5159 Ų5920%0.232%0.319CS..G310 helixtrans-97.9-1.6178-60.2-54.4000113.8L153 P198 V201 P233 S234L153-Y236 HydrophobicContact CD2-CD2 4.24Å; L153-Y236 HydrophobicContact CD2-CE1 4.39Å; L153-Y236 HydrophobicContact CD2-CE2 3.78Å; P198-Y236 HydrophobicContact CB-CE1 4.18Å; V201-Y236 WeakPolarHBondContact CB-O 3.19Å; V201-Y236 PolarHBondContact N-O 3.25Å; P233-Y236 HydrophobicContact CB-CD2 3.88Å; P233-Y236 HydrophobicContact CB-CE2 4.19Å; P233-Y236 HydrophobicContact CG-CD2 4.03Å; P233-Y236 HydrophobicContact CG-CE2 4.12Å; P233-Y236 PolarHBondContact O-N 3.49Å; S234-Y236 PolarHBondContact O-N 2.92Å
237L98.5Very high98.4Very high34 Ų3457.5 Ų57.518%0.17832%0.319CS..  trans-111.6130-179.2-61.7178.9000109.7V201 I204 I228 V232 S234 T241V201-L237 HydrophobicContact CB-CD2 4.23Å; I204-L237 HydrophobicContact CD1-CD2 4.18Å; I228-L237 HydrophobicContact CG2-CD1 4.06Å; V232-L237 HydrophobicContact CB-CD1 4.15Å; V232-L237 HydrophobicContact CB-CD2 4.33Å; V232-L237 HydrophobicContact CB-CG 4.32Å; V232-L237 HydrophobicContact CG1-CD1 4.2Å; V232-L237 HydrophobicContact CG1-CD2 3.74Å; V232-L237 HydrophobicContact CG1-CG 3.82Å; S234-L237 PolarHBondContact O-N 3.07Å; S234-L237 VanDerWaalsContact O-N 3.1Å; S234-L237 VanDerWaalsContact O-O 3.12Å; L237-T241 HydrophobicContact CD2-CG2 4.06Å
238D97.7Very high98.4Very high60 Ų6061.1 Ų61.132%0.32134%0.344SS..  trans-138.8-178.6177.653.341000111.2R200 D240 T241R200-D238 VanDerWaalsContact CD-OD2 3.25Å; R200-D238 WeakPolarHBondContact CD-OD2 3.27Å; R200-D238 IonicContact CZ-OD1 3.77Å; R200-D238 IonicContact CZ-OD2 2.66Å; R200-D238 VanDerWaalsContact NE-CG 3.33Å; R200-D238 IonicContact NE-OD1 3.64Å; R200-D238 PolarHBondContact NE-OD1 2.84Å; R200-D238 IonicContact NE-OD2 2.86Å; R200-D238 PolarHBondContact NE-OD2 2.89Å; R200-D238 IonicContact NH2-OD1 2.68Å; R200-D238 PolarHBondContact NH2-OD1 2.75Å; R200-D238 IonicContact NH2-OD2 3.74Å; D238-D240 PolarHBondContact O-N 2.73Å; D238-D240 PolarHBondContact OD1-N 3.36Å; D238-D240 VanDerWaalsContact OD1-N 3.13Å; D238-T241 PolarHBondContact N-OG1 3.04Å; D238-T241 WeakPolarHBondContact O-CB 3.31Å; D238-T241 PolarHBondContact O-N 3.47Å; D238-T241 VanDerWaalsContact O-N 3.14Å; D238-T241 PolarHBondContact O-OG1 2.92Å; D238-T241 PolarHBondContact OD1-N 2.93Å; D238-T241 VanDerWaalsContact OD1-N 3.11Å; D238-T241 PolarHBondContact OD1-OG1 2.6Å
239D97.8Very high98.4Very high172 Ų17262.5 Ų62.592%0.9236%0.359SS*.THydrogen-bonded Turntrans-65-20.2-178.3-67.8-23.9000112.5
240D97.5Very high98.3Very high97 Ų9764 Ų6452%0.51936%0.361SS..THydrogen-bonded Turntrans-93.70.9178.5-64-42.1000112.8R200 D238 I242R200-D240 PolarHBondContact NH2-O 3.07Å; D238-D240 PolarHBondContact O-N 2.73Å; D238-D240 PolarHBondContact OD1-N 3.36Å; D238-D240 VanDerWaalsContact OD1-N 3.13Å; D240-I242 PolarHBondContact O-N 2.96Å
241T98.5Very high98.3Very high8 Ų863.1 Ų63.15%0.04935%0.346CS..  trans-69.6124.8176.2-60.60000109.7R200 V201 L237 D238 Y243R200-T241 VanDerWaalsContact NH2-CA 3.31Å; R200-T241 PolarHBondContact NH2-OG1 2.88Å; V201-T241 HydrophobicContact CG1-CG2 4.2Å; V201-T241 WeakPolarHBondContact O-CG2 3.14Å; V201-T241 PolarHBondContact O-OG1 3.41Å; L237-T241 HydrophobicContact CD2-CG2 4.06Å; D238-T241 PolarHBondContact N-OG1 3.04Å; D238-T241 WeakPolarHBondContact O-CB 3.31Å; D238-T241 PolarHBondContact O-N 3.47Å; D238-T241 VanDerWaalsContact O-N 3.14Å; D238-T241 PolarHBondContact O-OG1 2.92Å; D238-T241 PolarHBondContact OD1-N 2.93Å; D238-T241 VanDerWaalsContact OD1-N 3.11Å; D238-T241 PolarHBondContact OD1-OG1 2.6Å; T241-Y243 HydrophobicContact CG2-CD1 4.45Å; T241-Y243 HydrophobicContact CG2-CE1 3.81Å; T241-Y243 HydrophobicContact CG2-CE2 3.87Å; T241-Y243 VanDerWaalsContact CG2-CZ 3.49Å; T241-Y243 WeakPolarHBondContact O-CD2 3.35Å; T241-Y243 WeakPolarHBondContact O-CE2 3.49Å
242I98.8Very high98.3Very high72 Ų7262.9 Ų62.937%0.36935%0.345SS..EExtended strand (participates in β ladder)trans-87.5130.5180-57.8171.9000110.1H202 T203 I204 D240H202-I242 PolarHBondContact O-N 2.89Å; T203-I242 CarbonylContact C-O 3.56Å; T203-I242 VanDerWaalsContact CA-O 3.31Å; T203-I242 WeakPolarHBondContact CA-O 3.3Å; T203-I242 HydrophobicContact CG2-CB 4.14Å; T203-I242 HydrophobicContact CG2-CG2 4.18Å; I204-I242 PolarHBondContact N-O 3.34Å; D240-I242 PolarHBondContact O-N 2.96Å
243Y98.8Very high98.3Very high63 Ų6367.8 Ų67.825%0.24737%0.37CS..EExtended strand (participates in β ladder)trans-117.6111-179.6-59-83000111.4I204 I228 T241I204-Y243 HydrophobicContact CB-CD1 4.41Å; I204-Y243 HydrophobicContact CD1-CE1 4.18Å; I228-Y243 HydrophobicContact CD1-CD1 3.86Å; I228-Y243 HydrophobicContact CD1-CE1 4.16Å; I228-Y243 HydrophobicContact CG2-CE1 4.16Å; T241-Y243 HydrophobicContact CG2-CD1 4.45Å; T241-Y243 HydrophobicContact CG2-CE1 3.81Å; T241-Y243 HydrophobicContact CG2-CE2 3.87Å; T241-Y243 VanDerWaalsContact CG2-CZ 3.49Å; T241-Y243 WeakPolarHBondContact O-CD2 3.35Å; T241-Y243 WeakPolarHBondContact O-CE2 3.49Å
244H98.8Very high98.3Very high90 Ų9065 Ų6542%0.41735%0.352SS..EExtended strand (participates in β ladder)trans-101.585.1170.6-66.4-58.9000109.7I204 V205 I206 P247I204-H244 PolarHBondContact O-N 3.11Å; V205-H244 WeakPolarHBondContact CA-O 3.37Å; V205-H244 HydrophobicContact CB-CB 4.34Å; V205-H244 HydrophobicContact CG1-CB 4.11Å; V205-H244 HydrophobicContact CG2-CB 4.1Å; I206-H244 PolarHBondContact N-O 3.31Å; H244-P247 HydrophobicContact CB-CB 4.29Å; H244-P247 HydrophobicContact CB-CG 4.45Å
245L98.8Very high98.4Very high13 Ų1359.9 Ų59.97%0.06832%0.316CS..EExtended strand (participates in β ladder)trans-104.4121.1-175.9-51.7-178.3000110.4I206 R220 L223 K224 I228I206-L245 HydrophobicContact CB-CD2 4.05Å; I206-L245 HydrophobicContact CD1-CD2 4.23Å; I206-L245 HydrophobicContact CG1-CD2 4.01Å; R220-L245 HydrophobicContact CB-CB 4.37Å; R220-L245 HydrophobicContact CG-CB 3.95Å; R220-L245 WeakPolarHBondContact CG-O 3.36Å; R220-L245 PolarHBondContact NE-O 3.35Å; R220-L245 WeakPolarHBondContact O-CD1 3.35Å; L223-L245 HydrophobicContact CB-CD1 4.2Å; L223-L245 HydrophobicContact CB-CD2 4.5Å; L223-L245 HydrophobicContact CD1-CB 4.3Å; K224-L245 HydrophobicContact CB-CD1 3.94Å; I228-L245 HydrophobicContact CD1-CD1 4.37Å; I228-L245 HydrophobicContact CD1-CD2 3.64Å
246Q98.6Very high98.4Very high0 Ų054.5 Ų54.50%028%0.284CS..SBendtrans46.355.2-167.8-60.9-59.5101.800111.8I206 V208 H210 L216 M219 L223 S248 G249I206-Q246 PolarHBondContact O-N 2.94Å; V208-Q246 PolarHBondContact O-NE2 2.74Å; V208-Q246 PolarHBondContact O-OE1 3.14Å; H210-Q246 PolarHBondContact CD2-NE2 3.44Å; L216-Q246 HydrophobicContact CD1-CB 3.51Å; L216-Q246 HydrophobicContact CD1-CG 4.31Å; M219-Q246 HydrophobicContact CB-CG 4.21Å; M219-Q246 HydrophobicContact CE-CG 4.3Å; M219-Q246 HydrophobicContact SD-CG 4.09Å; L223-Q246 HydrophobicContact CD1-CG 3.94Å; Q246-S248 PolarHBondContact O-N 3.18Å; Q246-S248 VanDerWaalsContact O-N 3.15Å; Q246-G249 PolarHBondContact O-N 3.44Å
247P98.3Very high98.4Very high67 Ų6755.9 Ų55.944%0.43529%0.292SS..THydrogen-bonded Turntrans-64.5-21.7-172.327.3-35.6000113.4V205 I206 H244 G249V205-P247 HydrophobicContact CG1-CG 4.16Å; I206-P247 WeakPolarHBondContact O-CD 3.36Å; H244-P247 HydrophobicContact CB-CB 4.29Å; H244-P247 HydrophobicContact CB-CG 4.45Å; P247-G249 PolarHBondContact O-N 3.36Å
248S97.8Very high98.4Very high76 Ų7656.2 Ų56.253%0.53130%0.304SS..THydrogen-bonded Turntrans-71.5-12.6172.766.90000113.6Q246 R250Q246-S248 PolarHBondContact O-N 3.18Å; Q246-S248 VanDerWaalsContact O-N 3.15Å; S248-R250 PolarHBondContact O-N 2.89Å; S248-R250 PolarHBondContact OG-O 3.35Å
249G98.1Very high98.4Very high30 Ų3057.2 Ų57.231%0.30931%0.309SS..SBendtrans76.2-34.7-173.700000114.2Q246 P247Q246-G249 PolarHBondContact O-N 3.44Å; P247-G249 PolarHBondContact O-N 3.36Å
250R98.3Very high98.5Very high144 Ų14450.9 Ų50.954%0.54328%0.28SS..  trans-145.2133179.5-175.9171.1167.485.21111.1E212 S248 V252E212-R250 IonicContact OE1-CZ 3.94Å; E212-R250 IonicContact OE1-NH2 3.25Å; E212-R250 PolarHBondContact OE1-NH2 3.16Å; E212-R250 IonicContact OE2-CZ 3.14Å; E212-R250 IonicContact OE2-NH1 2.76Å; E212-R250 PolarHBondContact OE2-NH1 2.7Å; E212-R250 IonicContact OE2-NH2 3.92Å; E212-R250 PolarHBondContact OE2-NH2 3.37Å; S248-R250 PolarHBondContact O-N 2.89Å; S248-R250 PolarHBondContact OG-O 3.35Å; R250-V252 HydrophobicContact CG-CG2 4.21Å
251F98.8Very high98.6Very high42 Ų4246.2 Ų46.218%0.18426%0.256CS..  trans-146.461.7177.8-166.5-170.8000111Q209 H210 I253Q209-F251 WeakPolarHBondContact CA-O 3.31Å; Q209-F251 WeakPolarHBondContact CG-O 3.39Å; H210-F251 PolarHBondContact CD2-O 3.36Å; H210-F251 PolarHBondContact N-O 3.41Å; H210-F251 VanDerWaalsContact N-O 3.09Å; H210-F251 PolarHBondContact NE2-N 3.01Å; F251-I253 VanDerWaalsContact CD2-O 3.23Å; F251-I253 WeakPolarHBondContact CD2-O 3.31Å; F251-I253 WeakPolarHBondContact CE2-O 3.3Å
252V98.8Very high98.6Very high20 Ų2049 Ų4912%0.12127%0.27CS..  trans-83.1-47.7178.11780000112Q209 E212 R250 G254Q209-V252 WeakPolarHBondContact CG-O 3.3Å; Q209-V252 PolarHBondContact NE2-O 2.82Å; E212-V252 HydrophobicContact CG-CG1 3.98Å; E212-V252 WeakPolarHBondContact OE1-CG1 3.44Å; R250-V252 HydrophobicContact CG-CG2 4.21Å; V252-G254 PolarHBondContact O-N 3Å
253I98.7Very high98.6Very high106 Ų10646.1 Ų46.154%0.54426%0.256SS..SBendtrans-74.2117.4173.7-60.5173.3000107.9F251 Q257F251-I253 VanDerWaalsContact CD2-O 3.23Å; F251-I253 WeakPolarHBondContact CD2-O 3.31Å; F251-I253 WeakPolarHBondContact CE2-O 3.3Å; I253-Q257 HydrophobicContact CG2-CB 4.32Å; I253-Q257 HydrophobicContact CG2-CG 3.9Å
254G98.6Very high98.6Very high0 Ų043.8 Ų43.80%025%0.251CS..  trans-144.2-168.8-179.600000112.8V252 Q257 G258V252-G254 PolarHBondContact O-N 3Å; G254-Q257 PolarHBondContact O-N 3.27Å; G254-G258 PolarHBondContact O-N 3.4Å
255G98.7Very high98.6Very high0 Ų047 Ų470%026%0.26CS..Hα-helixtrans59.6-152.2-179.800000112.8Y93 D180 Q257 G258 D259Y93-G255 WeakPolarHBondContact OH-CA 3.24Å; Y93-G255 PolarHBondContact OH-N 3.24Å; D180-G255 PolarHBondContact OD2-N 2.97Å; G255-Q257 PolarHBondContact O-N 3.41Å; G255-Q257 VanDerWaalsContact O-N 3.09Å; G255-G258 PolarHBondContact O-N 2.9Å; G255-G258 VanDerWaalsContact O-N 3.1Å; G255-D259 PolarHBondContact O-N 3.34Å; G255-D259 VanDerWaalsContact O-N 3.1Å
256P98.8Very high98.6Very high0 Ų047.4 Ų47.40%026%0.261CS..Hα-helixtrans-59.8-21.9179.9-26.536.6000114.6P31 I34 A61 K62 T63 F100 D259P31-P256 HydrophobicContact CB-CG 4.39Å; I34-P256 HydrophobicContact CD1-CG 3.77Å; A61-P256 HydrophobicContact CB-CB 4.15Å; A61-P256 HydrophobicContact CB-CG 4Å; K62-P256 CarbonylContact C-O 3.28Å; K62-P256 WeakPolarHBondContact CD-O 3.43Å; K62-P256 VanDerWaalsContact CE-O 3.31Å; K62-P256 WeakPolarHBondContact CE-O 3.46Å; K62-P256 PolarHBondContact NZ-O 3.41Å; K62-P256 WeakPolarHBondContact O-CB 3.34Å; T63-P256 PolarHBondContact N-O 2.95Å; F100-P256 HydrophobicContact CD2-CB 3.81Å; F100-P256 HydrophobicContact CD2-CG 3.74Å; F100-P256 HydrophobicContact CE2-CB 3.82Å; F100-P256 HydrophobicContact CE2-CG 3.84Å; F100-P256 HydrophobicContact CG-CG 4.17Å; F100-P256 HydrophobicContact CZ-CG 4.35Å; P256-D259 CarbonylContact C-O 3.34Å; P256-D259 VanDerWaalsContact CA-O 3.25Å; P256-D259 WeakPolarHBondContact CA-O 3.48Å
257Q98.6Very high98.6Very high79 Ų7949.3 Ų49.337%0.36927%0.27SS..Hα-helixtrans-68.8-48.6175.2-172.4-177.527.800110.7K62 T63 G99 I253 G254 G255K62-Q257 PolarHBondContact NZ-O 3.14Å; K62-Q257 VanDerWaalsContact NZ-O 3.11Å; T63-Q257 HydrophobicContact CG2-CG 4.23Å; G99-Q257 VanDerWaalsContact CA-OE1 3.29Å; I253-Q257 HydrophobicContact CG2-CB 4.32Å; I253-Q257 HydrophobicContact CG2-CG 3.9Å; G254-Q257 PolarHBondContact O-N 3.27Å; G255-Q257 PolarHBondContact O-N 3.41Å; G255-Q257 VanDerWaalsContact O-N 3.09Å
258G98.1Very high98.6Very high42 Ų4249.6 Ų49.643%0.43327%0.267SS..Hα-helixtrans-69.4-42.5179.900000113.6G254 G255G254-G258 PolarHBondContact O-N 3.4Å; G255-G258 PolarHBondContact O-N 2.9Å; G255-G258 VanDerWaalsContact O-N 3.1Å
259D98.5Very high98.7Very high80 Ų8046.1 Ų46.143%0.42824%0.243SC..SBendtrans-143.7152.9-175.3-17122.3000111.5P31 K62 G255 P256P31-D259 HydrophobicContact CG-CB 4Å; K62-D259 PolarHBondContact NZ-O 3.46Å; G255-D259 PolarHBondContact O-N 3.34Å; G255-D259 VanDerWaalsContact O-N 3.1Å; P256-D259 CarbonylContact C-O 3.34Å; P256-D259 VanDerWaalsContact CA-O 3.25Å; P256-D259 WeakPolarHBondContact CA-O 3.48Å
260A98.8Very high98.7Very high39 Ų3944.7 Ų44.732%0.32223%0.229SC..  trans-77.5139.3175.800000110A61 K62A61-A260 WeakPolarHBondContact O-CA 3.45Å; K62-A260 HydrophobicContact CD-CB 3.85Å
261G98.9Very high98.7Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-107.8137.3176.800000111.7P31 D32 C35 V60 A61P31-G261 VanDerWaalsContact C-CA 3.46Å; D32-G261 WeakPolarHBondContact OD1-CA 3.37Å; C35-G261 PolarHBondContact SG-O 2.83Å; V60-G261 CarbonylContact C-O 3.59Å; V60-G261 WeakPolarHBondContact CA-O 3.49Å; A61-G261 PolarHBondContact N-O 2.94Å; A61-G261 PolarHBondContact O-N 3.1Å
262L98.9Very high98.7Very high65 Ų6536.1 Ų36.134%0.3420%0.195SC..EExtended strand (participates in β ladder)trans-136.1145.2168.9-61.789.2000110.5D32 T59 V60 R265D32-L262 PolarHBondContact OD1-N 3.4Å; T59-L262 WeakPolarHBondContact O-CA 3.43Å; V60-L262 HydrophobicContact CG1-CG 4.42Å; V60-L262 HydrophobicContact CG2-CD2 4.27Å; V60-L262 HydrophobicContact CG2-CG 4.23Å; L262-R265 HydrophobicContact CB-CG 3.76Å; L262-R265 PolarHBondContact O-N 3.43Å
263T98.9Very high98.7Very high12 Ų1235.3 Ų35.37%0.07419%0.191CC..THydrogen-bonded Turntrans-57.6140.9171.8-60.40000110.1C35 S39 E58 T59 R265C35-T263 WeakPolarHBondContact CB-OG1 3.2Å; C35-T263 PolarHBondContact O-OG1 3.43Å; S39-T263 PolarHBondContact OG-OG1 3.3Å; S39-T263 VanDerWaalsContact OG-OG1 3.04Å; E58-T263 VanDerWaalsContact OE2-CB 3.27Å; E58-T263 WeakPolarHBondContact OE2-CB 3.41Å; E58-T263 VanDerWaalsContact OE2-CG2 3.31Å; E58-T263 WeakPolarHBondContact OE2-CG2 3.23Å; T59-T263 WeakPolarHBondContact CA-OG1 3.41Å; T59-T263 WeakPolarHBondContact CB-OG1 3.33Å; T59-T263 PolarHBondContact N-OG1 2.75Å; T59-T263 PolarHBondContact O-N 3.39Å; T59-T263 PolarHBondContact O-OG1 3.46Å; T59-T263 VanDerWaalsContact O-OG1 3.11Å; T263-R265 VanDerWaalsContact C-N 3.3Å; T263-R265 PolarHBondContact O-N 3.33Å
264G98.5Very high98.7Very high15 Ų1532.4 Ų32.416%0.15519%0.187CC..THydrogen-bonded Turntrans72.217.2175.800000115.5D36 I267 A282D36-G264 PolarHBondContact OD1-N 3.06Å; G264-I267 VanDerWaalsContact O-CG2 3.27Å; G264-I267 WeakPolarHBondContact O-CG2 3.37Å; G264-A282 VanDerWaalsContact CA-CB 3.4Å
265R98.8Very high98.7Very high157 Ų15733.3 Ų33.359%0.59219%0.191SC*.SBendtrans-94.37.6173.6-69.1-61.1-57-74.3-3.1114.1D32 L262 T263D32-R265 HydrophobicContact CB-CB 4.2Å; L262-R265 HydrophobicContact CB-CG 3.76Å; L262-R265 PolarHBondContact O-N 3.43Å; T263-R265 VanDerWaalsContact C-N 3.3Å; T263-R265 PolarHBondContact O-N 3.33Å
266K98.8Very high98.7Very high22 Ų2234.6 Ų34.610%0.09620%0.204CC..  trans-126.127.9-179.8-70.4-70.5171.9-71.20113.3V26 H30 D32 K33 I268 V269 D270V26-K266 HydrophobicContact CG1-CD 4.3Å; V26-K266 HydrophobicContact CG2-CD 4Å; V26-K266 HydrophobicContact CG2-CG 4.3Å; H30-K266 WeakPolarHBondContact CE1-CE 3.46Å; H30-K266 PolarHBondContact CE1-NZ 2.88Å; D32-K266 HydrophobicContact CB-CG 3.73Å; D32-K266 IonicContact OD2-NZ 3.21Å; D32-K266 PolarHBondContact OD2-NZ 2.79Å; K33-K266 HydrophobicContact CD-CB 4.21Å; K33-K266 HydrophobicContact CD-CG 4.42Å; K33-K266 HydrophobicContact CG-CG 4.49Å; K266-I268 PolarHBondContact O-N 2.86Å; K266-I268 VanDerWaalsContact O-N 3.07Å; K266-V269 HydrophobicContact CB-CB 4.2Å; K266-V269 HydrophobicContact CB-CG2 4.48Å; K266-V269 HydrophobicContact CD-CB 4.45Å; K266-V269 HydrophobicContact CD-CG2 3.86Å; K266-V269 CarbonylContact O-C 3.57Å; K266-V269 WeakPolarHBondContact O-CA 3.42Å; K266-V269 WeakPolarHBondContact O-CB 3.41Å; K266-V269 PolarHBondContact O-N 3.35Å; K266-D270 PolarHBondContact O-N 3.36Å
267I98.8Very high98.7Very high39 Ų3936 Ų3620%0.222%0.216CC..Hα-helixtrans-55.4-31.3-175.767.8-171.7000115.2G264 T271 A282G264-I267 VanDerWaalsContact O-CG2 3.27Å; G264-I267 WeakPolarHBondContact O-CG2 3.37Å; I267-T271 WeakPolarHBondContact O-CG2 3.47Å; I267-T271 PolarHBondContact O-N 3.3Å; I267-T271 PolarHBondContact O-OG1 3.18Å; I267-A282 HydrophobicContact CG2-CB 4.32Å
268I98.9Very high98.7Very high73 Ų7334.3 Ų34.337%0.37421%0.208SC..Hα-helixtrans-79.6-33.4176.7-58.6-56.4000111.8K266 D270 T271 G273 H278K266-I268 PolarHBondContact O-N 2.86Å; K266-I268 VanDerWaalsContact O-N 3.07Å; I268-D270 VanDerWaalsContact C-N 3.28Å; I268-T271 PolarHBondContact O-N 3.07Å; I268-G273 WeakPolarHBondContact O-CA 3.41Å; I268-G273 PolarHBondContact O-N 3.37Å; I268-H278 HydrophobicContact CD1-CB 3.63Å
269V98.8Very high98.8Very high3 Ų333.6 Ų33.62%0.01820%0.2CC..Hα-helixtrans-66.2-35.7170.61770000110.2E24 H159 K266 T271E24-V269 HydrophobicContact CG-CG2 4.23Å; H159-V269 PolarHBondContact CE1-O 2.84Å; H159-V269 PolarHBondContact NE2-O 3.22Å; K266-V269 HydrophobicContact CB-CB 4.2Å; K266-V269 HydrophobicContact CB-CG2 4.48Å; K266-V269 HydrophobicContact CD-CB 4.45Å; K266-V269 HydrophobicContact CD-CG2 3.86Å; K266-V269 CarbonylContact O-C 3.57Å; K266-V269 WeakPolarHBondContact O-CA 3.42Å; K266-V269 WeakPolarHBondContact O-CB 3.41Å; K266-V269 PolarHBondContact O-N 3.35Å; V269-T271 PolarHBondContact O-N 3.41Å
270D98.8Very high98.7Very high1 Ų132.2 Ų32.21%0.00521%0.205CC..Hα-helixtrans-70.7-22.2179.7-75.6-34000114.6K33 K266 I268 F283 H380K33-D270 VanDerWaalsContact CE-OD1 3.25Å; K33-D270 WeakPolarHBondContact CE-OD1 3.37Å; K33-D270 IonicContact NZ-OD1 2.83Å; K33-D270 PolarHBondContact NZ-OD1 3.21Å; K33-D270 IonicContact NZ-OD2 3.65Å; K33-D270 PolarHBondContact NZ-OD2 3.05Å; K266-D270 PolarHBondContact O-N 3.36Å; I268-D270 VanDerWaalsContact C-N 3.28Å; D270-F283 HydrophobicContact CB-CD2 4Å; D270-F283 HydrophobicContact CB-CE2 3.98Å; D270-H380 PolarHBondContact O-N 3.5Å; D270-H380 IonicContact OD1-CD2 3.42Å; D270-H380 PolarHBondContact OD1-CD2 3.47Å; D270-H380 IonicContact OD1-NE2 3.57Å
271T98.9Very high98.7Very high4 Ų431 Ų313%0.02520%0.196CC..THydrogen-bonded Turntrans-112.5-108.7-173.455.30000110.9M151 I267 I268 V269 H278 F283 F381M151-T271 VanDerWaalsContact CE-O 3.29Å; M151-T271 WeakPolarHBondContact CE-O 3.43Å; I267-T271 WeakPolarHBondContact O-CG2 3.47Å; I267-T271 PolarHBondContact O-N 3.3Å; I267-T271 PolarHBondContact O-OG1 3.18Å; I268-T271 PolarHBondContact O-N 3.07Å; V269-T271 PolarHBondContact O-N 3.41Å; T271-H278 PolarHBondContact OG1-CD2 3.28Å; T271-F283 HydrophobicContact CG2-CE2 3.43Å; T271-F283 VanDerWaalsContact CG2-CE2 3.43Å; T271-F283 HydrophobicContact CG2-CZ 3.39Å; T271-F381 HydrophobicContact CG2-CE2 3.86Å
272Y98.9Very high98.7Very high1 Ų131.7 Ų31.70%0.00420%0.202CC..THydrogen-bonded Turntrans-116.813.4-161.6-48-64.6000112.8F140 G141 Y142 M151 G274 W275 F381F140-Y272 PolarHBondContact O-OH 3.19Å; G141-Y272 WeakPolarHBondContact CA-OH 3.4Å; Y142-Y272 AromaticContact CD1-CD1 3.97Å; Y142-Y272 HydrophobicContact CD1-CD1 3.97Å; Y142-Y272 HydrophobicContact CD1-CG 4.13Å; Y142-Y272 HydrophobicContact CG-CD1 4.4Å; Y142-Y272 HydrophobicContact CG-CG 4.36Å; Y142-Y272 VanDerWaalsContact N-CZ 3.28Å; Y142-Y272 PolarHBondContact N-OH 2.97Å; Y142-Y272 WeakPolarHBondContact O-CE1 3.42Å; M151-Y272 HydrophobicContact CE-CD1 4.13Å; M151-Y272 HydrophobicContact SD-CD1 4.02Å; M151-Y272 HydrophobicContact SD-CE1 4.3Å; Y272-G274 PolarHBondContact O-N 3.09Å; Y272-W275 VanDerWaalsContact CB-O 3.3Å; Y272-W275 WeakPolarHBondContact CB-O 3.45Å; Y272-W275 WeakPolarHBondContact O-CB 3.5Å; Y272-W275 PolarHBondContact O-N 3.1Å; Y272-W275 VanDerWaalsContact O-N 3.07Å; Y272-F381 HydrophobicContact CD1-CD2 4.12Å; Y272-F381 AromaticContact CE1-CD2 3.37Å; Y272-F381 HydrophobicContact CE1-CD2 3.37Å; Y272-F381 AromaticContact CE1-CE2 3.81Å; Y272-F381 HydrophobicContact CE1-CE2 3.81Å; Y272-F381 HydrophobicContact CE1-CG 4.27Å; Y272-F381 HydrophobicContact CE2-CE2 4.24Å; Y272-F381 AromaticContact CZ-CD2 3.62Å; Y272-F381 AromaticContact CZ-CE2 3.51Å; Y272-F381 VanDerWaalsContact OH-CE2 3.25Å; Y272-F381 WeakPolarHBondContact OH-CE2 3.36Å
273G98.7Very high98.7Very high3 Ų328.8 Ų28.83%0.03119%0.186CC..THydrogen-bonded Turntrans61.529173.800000114.5S23 I268S23-G273 VanDerWaalsContact CB-O 3.29Å; S23-G273 WeakPolarHBondContact CB-O 3.34Å; S23-G273 PolarHBondContact OG-O 2.66Å; I268-G273 WeakPolarHBondContact O-CA 3.41Å; I268-G273 PolarHBondContact O-N 3.37Å
274G98.6Very high98.7Very high45 Ų4528.2 Ų28.246%0.46418%0.183SC..THydrogen-bonded Turntrans101.8-15.4-178.600000113.8Y272Y272-G274 PolarHBondContact O-N 3.09Å
275W98.8Very high98.7Very high19 Ų1927.5 Ų27.57%0.07218%0.176CC..SBendtrans-76162.5173.2-66.295.9000112.2F19 F21 Y142 P152 T154 Y189 M196 Y272 A277F19-W275 AromaticContact CE2-CH2 3.79Å; F19-W275 HydrophobicContact CE2-CH2 3.79Å; F19-W275 AromaticContact CZ-CH2 3.87Å; F19-W275 HydrophobicContact CZ-CH2 3.87Å; F21-W275 HydrophobicContact CB-CH2 4.08Å; F21-W275 HydrophobicContact CB-CZ2 3.45Å; F21-W275 VanDerWaalsContact CB-CZ2 3.45Å; F21-W275 AromaticContact CD1-CD1 3.74Å; F21-W275 HydrophobicContact CD1-CD2 4.05Å; F21-W275 AromaticContact CD1-CE2 3.27Å; F21-W275 HydrophobicContact CD1-CG 4.33Å; F21-W275 AromaticContact CD1-CZ2 3.6Å; F21-W275 HydrophobicContact CD1-CZ2 3.6Å; F21-W275 AromaticContact CD1-NE1 3.06Å; F21-W275 HydrophobicContact CD2-CD2 4.26Å; F21-W275 AromaticContact CD2-CE2 3.85Å; F21-W275 HydrophobicContact CD2-CE3 4.39Å; F21-W275 AromaticContact CD2-CH2 3.79Å; F21-W275 HydrophobicContact CD2-CH2 3.79Å; F21-W275 AromaticContact CD2-CZ2 3.63Å; F21-W275 HydrophobicContact CD2-CZ2 3.63Å; F21-W275 HydrophobicContact CD2-CZ3 4.16Å; F21-W275 AromaticContact CE1-CD1 3.38Å; F21-W275 AromaticContact CE1-CD2 3.84Å; F21-W275 HydrophobicContact CE1-CD2 3.84Å; F21-W275 AromaticContact CE1-CE2 3.54Å; F21-W275 AromaticContact CE1-CG 3.8Å; F21-W275 HydrophobicContact CE1-CG 3.8Å; F21-W275 HydrophobicContact CE1-CZ2 4.24Å; F21-W275 AromaticContact CE1-NE1 3.24Å; F21-W275 HydrophobicContact CE2-CD2 4.05Å; F21-W275 HydrophobicContact CE2-CE3 4.16Å; F21-W275 HydrophobicContact CE2-CH2 4.36Å; F21-W275 HydrophobicContact CE2-CZ2 4.26Å; F21-W275 HydrophobicContact CE2-CZ3 4.31Å; F21-W275 HydrophobicContact CG-CD2 4.26Å; F21-W275 AromaticContact CG-CE2 3.44Å; F21-W275 VanDerWaalsContact CG-CE2 3.44Å; F21-W275 AromaticContact CG-CH2 3.88Å; F21-W275 HydrophobicContact CG-CH2 3.88Å; F21-W275 AromaticContact CG-CZ2 3.24Å; F21-W275 HydrophobicContact CG-CZ2 3.24Å; F21-W275 AromaticContact CG-NE1 3.75Å; F21-W275 AromaticContact CZ-CD2 3.83Å; F21-W275 HydrophobicContact CZ-CD2 3.83Å; F21-W275 AromaticContact CZ-CE2 3.93Å; F21-W275 HydrophobicContact CZ-CE3 4.34Å; F21-W275 AromaticContact CZ-CG 3.96Å; F21-W275 HydrophobicContact CZ-CG 3.96Å; Y142-W275 HydrophobicContact CE1-CB 4.02Å; P152-W275 HydrophobicContact CB-CG 3.9Å; P152-W275 HydrophobicContact CG-CB 3.74Å; P152-W275 HydrophobicContact CG-CG 3.61Å; T154-W275 PolarHBondContact OG1-NE1 3.08Å; T154-W275 VanDerWaalsContact OG1-NE1 3.14Å; Y189-W275 HydrophobicContact CD2-CZ2 4.16Å; Y189-W275 HydrophobicContact CE1-CZ2 4.46Å; Y189-W275 HydrophobicContact CE2-CH2 4.5Å; Y189-W275 AromaticContact CE2-CZ2 3.73Å; Y189-W275 HydrophobicContact CE2-CZ2 3.73Å; Y189-W275 AromaticContact CZ-CZ2 3.91Å; M196-W275 HydrophobicContact CG-CH2 3.91Å; M196-W275 HydrophobicContact CG-CZ3 3.88Å; M196-W275 HydrophobicContact SD-CH2 3.77Å; M196-W275 HydrophobicContact SD-CZ3 3.73Å; Y272-W275 VanDerWaalsContact CB-O 3.3Å; Y272-W275 WeakPolarHBondContact CB-O 3.45Å; Y272-W275 WeakPolarHBondContact O-CB 3.5Å; Y272-W275 PolarHBondContact O-N 3.1Å; Y272-W275 VanDerWaalsContact O-N 3.07Å; W275-A277 PolarHBondContact O-N 2.81Å
276G98.6Very high98.7Very high27 Ų2721 Ų2128%0.27815%0.152SC..SBendtrans63.5-122.1-177.600000111.3
277A98.8Very high98.7Very high31 Ų3120 Ų2026%0.25615%0.148SC..  trans-155.7170.6174.700000110.3F140 W275 L316F140-A277 HydrophobicContact CB-CB 4.41Å; F140-A277 WeakPolarHBondContact CB-O 3.43Å; F140-A277 HydrophobicContact CD1-CB 3.75Å; F140-A277 HydrophobicContact CD2-CB 3.82Å; F140-A277 HydrophobicContact CE1-CB 3.76Å; F140-A277 HydrophobicContact CE2-CB 3.84Å; F140-A277 HydrophobicContact CG-CB 3.75Å; F140-A277 HydrophobicContact CZ-CB 3.8Å; W275-A277 PolarHBondContact O-N 2.81Å; A277-L316 HydrophobicContact CB-CD1 4.19Å; A277-L316 HydrophobicContact CB-CD2 4.01Å
278H98.8Very high98.7Very high43 Ų4318.7 Ų18.720%0.19914%0.14CC..  trans-135.1145.4175.6-161.1-85.5000110.9I268 T271 G280 G281I268-H278 HydrophobicContact CD1-CB 3.63Å; T271-H278 PolarHBondContact OG1-CD2 3.28Å; H278-G280 PolarHBondContact ND1-N 2.83Å; H278-G281 PolarHBondContact CE1-O 3.4Å
279G98.6Very high98.7Very high26 Ų2615.2 Ų15.227%0.26812%0.122SC..  trans-92.7-15.6-174.200000116.2L138L138-G279 VanDerWaalsContact CD1-CA 3.43Å; L138-G279 WeakPolarHBondContact O-CA 3.37Å
280G98.3Very high98.7Very high51 Ų5116.3 Ų16.353%0.52613%0.127SC..SBendtrans108.4-29.4176.100000113.3H278H278-G280 PolarHBondContact ND1-N 2.83Å
281G98.4Very high98.7Very high14 Ų1416.3 Ų16.314%0.14413%0.127CC..  trans-66.1129.1179.700000113.9H278 D292H278-G281 PolarHBondContact CE1-O 3.4Å; G281-D292 VanDerWaalsContact CA-CG 3.48Å
282A98.7Very high98.7Very high14 Ų1417.2 Ų17.212%0.11613%0.132CC..  trans-73158.817000000112.1G264 I267 K286G264-A282 VanDerWaalsContact CA-CB 3.4Å; I267-A282 HydrophobicContact CG2-CB 4.32Å; A282-K286 WeakPolarHBondContact O-CD 3.42Å; A282-K286 WeakPolarHBondContact O-CE 3.43Å; A282-K286 PolarHBondContact O-NZ 2.95Å
283F98.9Very high98.7Very high4 Ų417.2 Ų17.22%0.01813%0.132CC..  trans-98.2-55179.3-54.6-31.6000113.1D270 T271 K286 D292 R293 A296 Y297 H380 F381D270-F283 HydrophobicContact CB-CD2 4Å; D270-F283 HydrophobicContact CB-CE2 3.98Å; T271-F283 HydrophobicContact CG2-CE2 3.43Å; T271-F283 VanDerWaalsContact CG2-CE2 3.43Å; T271-F283 HydrophobicContact CG2-CZ 3.39Å; F283-K286 WeakPolarHBondContact O-CB 3.41Å; F283-K286 PolarHBondContact O-N 3.08Å; F283-D292 WeakPolarHBondContact CD1-O 3.39Å; F283-D292 VanDerWaalsContact CE1-O 3.26Å; F283-D292 WeakPolarHBondContact CE1-O 3.39Å; F283-R293 VanDerWaalsContact C-CZ 3.42Å; F283-R293 VanDerWaalsContact C-NH2 3.32Å; F283-R293 HydrophobicContact CB-CB 4.46Å; F283-R293 HydrophobicContact CD1-CB 4.3Å; F283-R293 PolarHBondContact O-NE 3.41Å; F283-R293 PolarHBondContact O-NH1 2.81Å; F283-R293 PolarHBondContact O-NH2 3.49Å; F283-A296 HydrophobicContact CE1-CB 3.67Å; F283-A296 HydrophobicContact CZ-CB 3.98Å; F283-Y297 HydrophobicContact CD2-CE1 4.46Å; F283-H380 HydrophobicContact CD2-CB 4.37Å; F283-H380 AromaticContact CD2-CD2 3.71Å; F283-H380 AromaticContact CD2-CE1 3.73Å; F283-H380 AromaticContact CD2-CG 3.64Å; F283-H380 AromaticContact CD2-ND1 3.64Å; F283-H380 AromaticContact CD2-NE2 3.75Å; F283-H380 HydrophobicContact CE2-CB 4.42Å; F283-F381 HydrophobicContact CE2-CZ 4.48Å; F283-F381 HydrophobicContact CZ-CZ 4.48Å
284S98.9Very high98.7Very high0 Ų017.1 Ų17.10%013%0.13CC..THydrogen-bonded Turntrans-55.7143.4-169.7-37.90000113.4D36 D40 K286 R293D36-S284 VanDerWaalsContact CB-OG 3.23Å; D36-S284 WeakPolarHBondContact CB-OG 3.27Å; D36-S284 WeakPolarHBondContact O-CB 3.43Å; D36-S284 WeakPolarHBondContact OD1-CB 3.42Å; D36-S284 PolarHBondContact OD1-OG 2.89Å; D40-S284 WeakPolarHBondContact OD1-CA 3.45Å; S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 3.05Å; S284-R293 VanDerWaalsContact CA-NH2 3.26Å
285G98.8Very high98.7Very high0 Ų015 Ų150%011%0.108CC..THydrogen-bonded Turntrans76.41317800000115D40 I55 A56 C57D40-G285 PolarHBondContact OD1-N 3.49Å; I55-G285 CarbonylContact C-O 3.53Å; I55-G285 WeakPolarHBondContact CG2-O 3.43Å; A56-G285 CarbonylContact C-O 3.47Å; A56-G285 VanDerWaalsContact CA-O 3.29Å; A56-G285 WeakPolarHBondContact CA-O 3.22Å; C57-G285 PolarHBondContact N-O 3.13Å
286K98.9Very high98.8Very high22 Ų2214.3 Ų14.310%0.09611%0.107CC..BIsolated β-bridgetrans-120.3131.4-177.3-61.2179.5-178.8175.30112.6L43 I55 A282 F283 S284 K290 D292 R293L43-K286 VanDerWaalsContact CD2-O 3.29Å; L43-K286 WeakPolarHBondContact CD2-O 3.42Å; I55-K286 WeakPolarHBondContact O-CA 3.44Å; A282-K286 WeakPolarHBondContact O-CD 3.42Å; A282-K286 WeakPolarHBondContact O-CE 3.43Å; A282-K286 PolarHBondContact O-NZ 2.95Å; F283-K286 WeakPolarHBondContact O-CB 3.41Å; F283-K286 PolarHBondContact O-N 3.08Å; S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 3.05Å; K286-K290 HydrophobicContact CB-CB 3.84Å; K286-K290 HydrophobicContact CB-CG 4.07Å; K286-K290 HydrophobicContact CD-CB 4.04Å; K286-K290 HydrophobicContact CD-CG 4.2Å; K286-K290 HydrophobicContact CG-CB 4.33Å; K286-K290 HydrophobicContact CG-CG 4.25Å; K286-D292 HydrophobicContact CD-CB 4.49Å; K286-D292 IonicContact NZ-OD2 3.57Å; K286-D292 PolarHBondContact NZ-OD2 2.87Å; K286-R293 WeakPolarHBondContact O-CD 3.5Å; K286-R293 PolarHBondContact O-NH1 3.08Å
287D98.8Very high98.8Very high1 Ų113 Ų131%0.0059%0.093CC..  trans-73.6171.517275.4-95.2000112.3L43 A53 K54 I55 T289 K290L43-D287 HydrophobicContact CD1-CB 4.21Å; A53-D287 WeakPolarHBondContact O-CB 3.43Å; K54-D287 WeakPolarHBondContact CA-OD1 3.17Å; I55-D287 HydrophobicContact CB-CB 4.46Å; I55-D287 PolarHBondContact N-OD1 2.72Å; I55-D287 PolarHBondContact O-N 2.6Å; D287-T289 PolarHBondContact O-N 2.83Å; D287-T289 VanDerWaalsContact O-N 3.08Å; D287-T289 VanDerWaalsContact OD2-CB 3.27Å; D287-T289 WeakPolarHBondContact OD2-CB 3.37Å; D287-T289 WeakPolarHBondContact OD2-CG2 3.36Å; D287-T289 PolarHBondContact OD2-N 2.98Å; D287-T289 PolarHBondContact OD2-OG1 3.17Å; D287-K290 PolarHBondContact O-N 3.46Å; D287-K290 VanDerWaalsContact O-N 3.09Å; D287-K290 IonicContact OD1-NZ 3.53Å; D287-K290 PolarHBondContact OD1-NZ 3.28Å
288Y98.8Very high98.8Very high11 Ų1111.6 Ų11.64%0.0438%0.081CC..THydrogen-bonded Turntrans-60.9-22.9-172.381.5-93000114.7V131 K290 S294 V362 K368V131-Y288 HydrophobicContact CG1-CE2 4.25Å; Y288-K290 PolarHBondContact O-N 2.89Å; Y288-S294 WeakPolarHBondContact O-CB 3.46Å; Y288-S294 PolarHBondContact O-OG 2.87Å; Y288-V362 HydrophobicContact CD1-CB 4.29Å; Y288-V362 HydrophobicContact CD1-CG2 3.64Å; Y288-V362 HydrophobicContact CD2-CB 3.39Å; Y288-V362 HydrophobicContact CD2-CG1 3.85Å; Y288-V362 HydrophobicContact CD2-CG2 3.72Å; Y288-V362 HydrophobicContact CE1-CG2 3.95Å; Y288-V362 HydrophobicContact CE2-CB 3.71Å; Y288-V362 HydrophobicContact CE2-CG1 3.61Å; Y288-V362 HydrophobicContact CE2-CG2 4.01Å; Y288-V362 HydrophobicContact CG-CB 3.69Å; Y288-V362 HydrophobicContact CG-CG1 4.49Å; Y288-V362 HydrophobicContact CG-CG2 3.5Å; Y288-K368 HydrophobicContact CD1-CG 4.23Å; Y288-K368 HydrophobicContact CE1-CG 4.32Å
289T98.8Very high98.8Very high0 Ų09.6 Ų9.60%07%0.072CC..THydrogen-bonded Turntrans-68.5-21.9179.563.40000112K54 V131 G134 D287 V291K54-T289 HydrophobicContact CD-CG2 4.3Å; V131-T289 HydrophobicContact CG2-CG2 4.31Å; G134-T289 WeakPolarHBondContact CA-O 3.31Å; G134-T289 PolarHBondContact N-O 2.99Å; D287-T289 PolarHBondContact O-N 2.83Å; D287-T289 VanDerWaalsContact O-N 3.08Å; D287-T289 VanDerWaalsContact OD2-CB 3.27Å; D287-T289 WeakPolarHBondContact OD2-CB 3.37Å; D287-T289 WeakPolarHBondContact OD2-CG2 3.36Å; D287-T289 PolarHBondContact OD2-N 2.98Å; D287-T289 PolarHBondContact OD2-OG1 3.17Å; T289-V291 PolarHBondContact O-N 2.84Å
290K98.8Very high98.8Very high25 Ų258.3 Ų8.311%0.1096%0.06CC..  trans-81102.5176-77.661.4174.3-177.90108.7K286 D287 Y288 D292 R293 S294K286-K290 HydrophobicContact CB-CB 3.84Å; K286-K290 HydrophobicContact CB-CG 4.07Å; K286-K290 HydrophobicContact CD-CB 4.04Å; K286-K290 HydrophobicContact CD-CG 4.2Å; K286-K290 HydrophobicContact CG-CB 4.33Å; K286-K290 HydrophobicContact CG-CG 4.25Å; D287-K290 PolarHBondContact O-N 3.46Å; D287-K290 VanDerWaalsContact O-N 3.09Å; D287-K290 IonicContact OD1-NZ 3.53Å; D287-K290 PolarHBondContact OD1-NZ 3.28Å; Y288-K290 PolarHBondContact O-N 2.89Å; K290-D292 PolarHBondContact O-N 3.35Å; K290-D292 VanDerWaalsContact O-N 3.11Å; K290-R293 PolarHBondContact O-N 2.64Å; K290-R293 VanDerWaalsContact O-N 3.08Å; K290-S294 PolarHBondContact O-N 3.13Å; K290-S294 PolarHBondContact O-OG 3.46Å
291V98.7Very high98.8Very high1 Ų17 Ų71%0.0064%0.039CC..Hα-helixtrans-62-20.8-173.8-71.80000113.7A133 M139 T289 R293 A295 Y321 P358A133-V291 HydrophobicContact CB-CB 4.5Å; A133-V291 HydrophobicContact CB-CG1 3.6Å; A133-V291 HydrophobicContact CB-CG2 4.09Å; M139-V291 HydrophobicContact CE-CB 4.27Å; M139-V291 HydrophobicContact CE-CG2 3.74Å; M139-V291 WeakPolarHBondContact CG-O 3.31Å; M139-V291 HydrophobicContact SD-CB 4.33Å; M139-V291 HydrophobicContact SD-CG2 4.32Å; T289-V291 PolarHBondContact O-N 2.84Å; V291-R293 PolarHBondContact O-N 3.49Å; V291-R293 VanDerWaalsContact O-N 3.15Å; V291-A295 HydrophobicContact CB-CB 4.08Å; V291-A295 WeakPolarHBondContact O-CA 3.27Å; V291-A295 WeakPolarHBondContact O-CB 3.47Å; V291-A295 PolarHBondContact O-N 3.47Å; V291-Y321 HydrophobicContact CB-CD2 3.93Å; V291-Y321 HydrophobicContact CB-CE2 4.28Å; V291-Y321 HydrophobicContact CB-CG 4.34Å; V291-Y321 HydrophobicContact CG1-CD1 4.32Å; V291-Y321 HydrophobicContact CG1-CD2 4.08Å; V291-Y321 HydrophobicContact CG1-CE2 4.32Å; V291-Y321 HydrophobicContact CG1-CG 4.1Å; V291-Y321 HydrophobicContact CG2-CD2 4.07Å; V291-Y321 HydrophobicContact CG2-CG 4.28Å; V291-P358 HydrophobicContact CG1-CB 4.4Å; V291-P358 HydrophobicContact CG1-CG 3.62Å
292D98.8Very high98.9Very high24 Ų246.3 Ų6.313%0.1283%0.032CC..Hα-helixtrans-47.1-43.8169.9-71.2-26.1000112.1M139 G281 F283 K286 K290 A296M139-D292 WeakPolarHBondContact CE-OD1 3.25Å; G281-D292 VanDerWaalsContact CA-CG 3.48Å; F283-D292 WeakPolarHBondContact CD1-O 3.39Å; F283-D292 VanDerWaalsContact CE1-O 3.26Å; F283-D292 WeakPolarHBondContact CE1-O 3.39Å; K286-D292 HydrophobicContact CD-CB 4.49Å; K286-D292 IonicContact NZ-OD2 3.57Å; K286-D292 PolarHBondContact NZ-OD2 2.87Å; K290-D292 PolarHBondContact O-N 3.35Å; K290-D292 VanDerWaalsContact O-N 3.11Å; D292-A296 WeakPolarHBondContact O-CB 3.46Å
293R98.9Very high98.9Very high1 Ų15.7 Ų5.70%0.0043%0.026CC..Hα-helixtrans-90.4-58.5-179.7169.2174.4-93.8-180-8.5111.6D40 F283 S284 K286 K290 V291 A295 A296 Y297D40-R293 IonicContact OD1-CZ 2.93Å; D40-R293 VanDerWaalsContact OD1-CZ 3.25Å; D40-R293 IonicContact OD1-NH1 2.73Å; D40-R293 PolarHBondContact OD1-NH1 3.5Å; D40-R293 IonicContact OD1-NH2 2.6Å; D40-R293 PolarHBondContact OD1-NH2 3.09Å; D40-R293 IonicContact OD2-CZ 2.72Å; D40-R293 IonicContact OD2-NH2 3.35Å; D40-R293 PolarHBondContact OD2-NH2 3.22Å; F283-R293 VanDerWaalsContact C-CZ 3.42Å; F283-R293 VanDerWaalsContact C-NH2 3.32Å; F283-R293 HydrophobicContact CB-CB 4.46Å; F283-R293 HydrophobicContact CD1-CB 4.3Å; F283-R293 PolarHBondContact O-NE 3.41Å; F283-R293 PolarHBondContact O-NH1 2.81Å; F283-R293 PolarHBondContact O-NH2 3.49Å; S284-R293 VanDerWaalsContact CA-NH2 3.26Å; K286-R293 WeakPolarHBondContact O-CD 3.5Å; K286-R293 PolarHBondContact O-NH1 3.08Å; K290-R293 PolarHBondContact O-N 2.64Å; K290-R293 VanDerWaalsContact O-N 3.08Å; V291-R293 PolarHBondContact O-N 3.49Å; V291-R293 VanDerWaalsContact O-N 3.15Å; R293-A295 PolarHBondContact O-N 2.86Å; R293-A296 PolarHBondContact O-N 3.07Å; R293-Y297 HydrophobicContact CG-CD2 4.36Å; R293-Y297 HydrophobicContact CG-CE1 4.18Å; R293-Y297 HydrophobicContact CG-CE2 3.91Å; R293-Y297 WeakPolarHBondContact O-CD1 3.32Å; R293-Y297 PolarHBondContact O-N 2.89Å
294S98.9Very high98.9Very high0 Ų05.7 Ų5.70%03%0.027CC..Hα-helixtrans-65.8-41.2-17055.70000112.2Y288 K290 Y297 A298Y288-S294 WeakPolarHBondContact O-CB 3.46Å; Y288-S294 PolarHBondContact O-OG 2.87Å; K290-S294 PolarHBondContact O-N 3.13Å; K290-S294 PolarHBondContact O-OG 3.46Å; S294-Y297 PolarHBondContact O-N 2.87Å; S294-A298 WeakPolarHBondContact O-CB 3.23Å; S294-A298 PolarHBondContact O-N 2.78Å
295A98.9Very high98.9Very high1 Ų15.8 Ų5.81%0.0083%0.027CC..Hα-helixtrans-76.6-29178.700000112.7M139 V291 R293 A298 A299 V319 Y321M139-A295 HydrophobicContact CB-CB 4.49Å; M139-A295 HydrophobicContact CG-CB 4.25Å; M139-A295 HydrophobicContact SD-CB 4.11Å; V291-A295 HydrophobicContact CB-CB 4.08Å; V291-A295 WeakPolarHBondContact O-CA 3.27Å; V291-A295 WeakPolarHBondContact O-CB 3.47Å; V291-A295 PolarHBondContact O-N 3.47Å; R293-A295 PolarHBondContact O-N 2.86Å; A295-A298 PolarHBondContact O-N 3.47Å; A295-A299 WeakPolarHBondContact O-CB 3.27Å; A295-A299 PolarHBondContact O-N 3.06Å; A295-V319 HydrophobicContact CB-CG2 4.02Å; A295-Y321 HydrophobicContact CB-CD2 4.35Å; A295-Y321 HydrophobicContact CB-CE2 3.43Å; A295-Y321 VanDerWaalsContact CB-CE2 3.43Å
296A98.9Very high98.9Very high4 Ų45.8 Ų5.83%0.0333%0.027CC..Hα-helixtrans-64.9-43169.500000111.6M139 F283 D292 R293 A299 R300M139-A296 HydrophobicContact CB-CB 4.2Å; M139-A296 HydrophobicContact CG-CB 4.46Å; F283-A296 HydrophobicContact CE1-CB 3.67Å; F283-A296 HydrophobicContact CZ-CB 3.98Å; D292-A296 WeakPolarHBondContact O-CB 3.46Å; R293-A296 PolarHBondContact O-N 3.07Å; A296-A299 PolarHBondContact O-N 3.16Å; A296-R300 PolarHBondContact O-N 2.78Å
297Y98.9Very high98.9Very high0 Ų05.2 Ų5.20%03%0.026CC..Hα-helixtrans-62.8-44174.4-69.75.4000111.5F283 R293 S294 R300 W301 L367 Y372 H380 F381 W388F283-Y297 HydrophobicContact CD2-CE1 4.46Å; R293-Y297 HydrophobicContact CG-CD2 4.36Å; R293-Y297 HydrophobicContact CG-CE1 4.18Å; R293-Y297 HydrophobicContact CG-CE2 3.91Å; R293-Y297 WeakPolarHBondContact O-CD1 3.32Å; R293-Y297 PolarHBondContact O-N 2.89Å; S294-Y297 PolarHBondContact O-N 2.87Å; Y297-R300 WeakPolarHBondContact O-CB 3.44Å; Y297-R300 PolarHBondContact O-N 3.26Å; Y297-W301 WeakPolarHBondContact O-CB 3.5Å; Y297-W301 PolarHBondContact O-N 3.19Å; Y297-L367 HydrophobicContact CD2-CD2 4.01Å; Y297-L367 HydrophobicContact CE2-CD2 4.45Å; Y297-Y372 HydrophobicContact CE2-CE1 4.37Å; Y297-H380 HydrophobicContact CE1-CB 4.05Å; Y297-H380 AromaticContact CE1-ND1 3.63Å; Y297-H380 AromaticContact CZ-ND1 3.57Å; Y297-H380 PolarHBondContact OH-CE1 3.1Å; Y297-H380 PolarHBondContact OH-ND1 3.09Å; Y297-F381 AromaticContact CD1-CE1 3.57Å; Y297-F381 HydrophobicContact CD1-CE1 3.57Å; Y297-F381 AromaticContact CD1-CZ 3.96Å; Y297-F381 HydrophobicContact CD1-CZ 3.96Å; Y297-F381 HydrophobicContact CE1-CE1 4.06Å; Y297-F381 HydrophobicContact CE1-CZ 4.42Å; Y297-F381 HydrophobicContact CG-CE1 4.44Å; Y297-W388 AromaticContact CD2-CD2 3.72Å; Y297-W388 HydrophobicContact CD2-CD2 3.72Å; Y297-W388 AromaticContact CD2-CE2 4Å; Y297-W388 AromaticContact CD2-CE3 3.4Å; Y297-W388 HydrophobicContact CD2-CE3 3.4Å; Y297-W388 VanDerWaalsContact CD2-CE3 3.4Å; Y297-W388 AromaticContact CD2-CH2 3.73Å; Y297-W388 HydrophobicContact CD2-CH2 3.73Å; Y297-W388 HydrophobicContact CD2-CZ2 4.01Å; Y297-W388 AromaticContact CD2-CZ3 3.41Å; Y297-W388 HydrophobicContact CD2-CZ3 3.41Å; Y297-W388 VanDerWaalsContact CD2-CZ3 3.41Å; Y297-W388 HydrophobicContact CE1-CZ2 4.46Å; Y297-W388 HydrophobicContact CE2-CD2 4.26Å; Y297-W388 AromaticContact CE2-CE3 3.93Å; Y297-W388 HydrophobicContact CE2-CE3 3.93Å; Y297-W388 AromaticContact CE2-CH2 3.31Å; Y297-W388 HydrophobicContact CE2-CH2 3.31Å; Y297-W388 AromaticContact CE2-CZ2 3.67Å; Y297-W388 HydrophobicContact CE2-CZ2 3.67Å; Y297-W388 AromaticContact CE2-CZ3 3.46Å; Y297-W388 HydrophobicContact CE2-CZ3 3.46Å; Y297-W388 VanDerWaalsContact CE2-CZ3 3.46Å; Y297-W388 AromaticContact CG-CD2 3.92Å; Y297-W388 HydrophobicContact CG-CD2 3.92Å; Y297-W388 HydrophobicContact CG-CE3 4.03Å; Y297-W388 HydrophobicContact CG-CG 4.34Å; Y297-W388 HydrophobicContact CG-CZ3 4.41Å; Y297-W388 AromaticContact CZ-CH2 3.96Å; Y297-W388 AromaticContact CZ-CZ2 3.91Å; Y297-W388 WeakPolarHBondContact O-CB 3.22Å
298A98.9Very high98.9Very high1 Ų19.8 Ų9.81%0.0085%0.045CC..Hα-helixtrans-64.6-39.8175.800000112.1S294 A295 W301 V302 L356 I361 L365S294-A298 WeakPolarHBondContact O-CB 3.23Å; S294-A298 PolarHBondContact O-N 2.78Å; A295-A298 PolarHBondContact O-N 3.47Å; A298-W301 WeakPolarHBondContact O-CB 3.48Å; A298-W301 PolarHBondContact O-N 3.28Å; A298-V302 WeakPolarHBondContact O-CG2 3.4Å; A298-V302 PolarHBondContact O-N 3.38Å; A298-L356 HydrophobicContact CB-CD2 4.04Å; A298-I361 HydrophobicContact CB-CD1 3.7Å; A298-I361 HydrophobicContact CB-CG1 3.9Å; A298-I361 HydrophobicContact CB-CG2 3.99Å; A298-L365 HydrophobicContact CB-CD1 4.31Å
299A98.9Very high98.9Very high1 Ų110.5 Ų10.51%0.0085%0.053CC..Hα-helixtrans-65.5-40.4176.200000111.3G141 A295 A296 W301 V302 A303 V317 V319G141-A299 WeakPolarHBondContact CA-O 3.47Å; G141-A299 VanDerWaalsContact N-CB 3.33Å; A295-A299 WeakPolarHBondContact O-CB 3.27Å; A295-A299 PolarHBondContact O-N 3.06Å; A296-A299 PolarHBondContact O-N 3.16Å; A299-W301 VanDerWaalsContact C-N 3.33Å; A299-V302 PolarHBondContact O-N 3.34Å; A299-A303 WeakPolarHBondContact O-CB 3.29Å; A299-A303 PolarHBondContact O-N 3.24Å; A299-V317 HydrophobicContact CB-CB 4.49Å; A299-V317 HydrophobicContact CB-CG1 4.28Å; A299-V319 HydrophobicContact CB-CG2 4.44Å
300R98.9Very high98.8Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-57.4-47.1169.916862178.2173.31.6111Y142 E149 C150 M151 A296 Y297 V302 A303 K304 F381 E389Y142-R300 WeakPolarHBondContact O-CD 3.42Å; Y142-R300 PolarHBondContact O-NH1 3.3Å; E149-R300 PolarHBondContact O-NH2 3Å; C150-R300 PolarHBondContact O-NH1 3.21Å; M151-R300 PolarHBondContact SD-NH1 2.81Å; A296-R300 PolarHBondContact O-N 2.78Å; Y297-R300 WeakPolarHBondContact O-CB 3.44Å; Y297-R300 PolarHBondContact O-N 3.26Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 3.14Å; R300-A303 PolarHBondContact O-N 2.89Å; R300-K304 WeakPolarHBondContact O-CB 3.49Å; R300-K304 PolarHBondContact O-N 3.18Å; R300-F381 HydrophobicContact CB-CD1 3.96Å; R300-F381 HydrophobicContact CB-CE1 3.72Å; R300-F381 HydrophobicContact CB-CE2 4.39Å; R300-F381 HydrophobicContact CB-CG 4.4Å; R300-F381 HydrophobicContact CB-CZ 3.95Å; R300-F381 HydrophobicContact CG-CB 4.35Å; R300-F381 HydrophobicContact CG-CD1 3.53Å; R300-F381 HydrophobicContact CG-CD2 4.43Å; R300-F381 HydrophobicContact CG-CE1 3.85Å; R300-F381 HydrophobicContact CG-CG 3.86Å; R300-F381 HydrophobicContact CG-CZ 4.42Å; R300-E389 IonicContact CZ-OE1 3.59Å; R300-E389 IonicContact CZ-OE2 3.76Å; R300-E389 IonicContact NE-OE1 2.71Å; R300-E389 PolarHBondContact NE-OE1 3Å; R300-E389 IonicContact NE-OE2 3.27Å; R300-E389 IonicContact NH2-OE1 3.1Å; R300-E389 PolarHBondContact NH2-OE1 3.35Å; R300-E389 IonicContact NH2-OE2 2.71Å; R300-E389 PolarHBondContact NH2-OE2 3.17Å
301W98.9Very high98.8Very high23 Ų2318.6 Ų18.69%0.0879%0.092CC..Hα-helixtrans-59.8-43.7179.1-17948.5000112.1Y297 A298 A299 S305 F354 E364 L365 W388 V390 K392Y297-W301 WeakPolarHBondContact O-CB 3.5Å; Y297-W301 PolarHBondContact O-N 3.19Å; A298-W301 WeakPolarHBondContact O-CB 3.48Å; A298-W301 PolarHBondContact O-N 3.28Å; A299-W301 VanDerWaalsContact C-N 3.33Å; W301-S305 VanDerWaalsContact O-CB 3.27Å; W301-S305 WeakPolarHBondContact O-CB 3.33Å; W301-S305 PolarHBondContact O-N 2.99Å; W301-S305 PolarHBondContact O-OG 2.83Å; W301-F354 HydrophobicContact CD2-CD1 4.28Å; W301-F354 AromaticContact CD2-CE1 3.7Å; W301-F354 HydrophobicContact CD2-CE1 3.7Å; W301-F354 AromaticContact CE2-CE1 3.97Å; W301-F354 AromaticContact CE3-CD1 3.59Å; W301-F354 HydrophobicContact CE3-CD1 3.59Å; W301-F354 AromaticContact CE3-CE1 3.49Å; W301-F354 HydrophobicContact CE3-CE1 3.49Å; W301-F354 VanDerWaalsContact CE3-CE1 3.49Å; W301-F354 HydrophobicContact CG-CE1 4.48Å; W301-F354 HydrophobicContact CH2-CD1 4.06Å; W301-F354 AromaticContact CH2-CE1 3.95Å; W301-F354 HydrophobicContact CH2-CE1 3.95Å; W301-F354 HydrophobicContact CZ2-CE1 4.11Å; W301-F354 AromaticContact CZ3-CD1 3.46Å; W301-F354 HydrophobicContact CZ3-CD1 3.46Å; W301-F354 VanDerWaalsContact CZ3-CD1 3.46Å; W301-F354 AromaticContact CZ3-CE1 3.63Å; W301-F354 HydrophobicContact CZ3-CE1 3.63Å; W301-E364 HydrophobicContact CH2-CB 3.99Å; W301-E364 HydrophobicContact CH2-CG 4.38Å; W301-E364 HydrophobicContact CZ3-CB 4.1Å; W301-L365 HydrophobicContact CD2-CD2 3.91Å; W301-L365 HydrophobicContact CE3-CD2 4Å; W301-L365 HydrophobicContact CG-CD2 4.19Å; W301-L365 HydrophobicContact CZ3-CD2 4.41Å; W301-W388 WeakPolarHBondContact CA-O 3.36Å; W301-W388 HydrophobicContact CB-CB 4.04Å; W301-V390 PolarHBondContact NE1-O 3Å; W301-K392 HydrophobicContact CH2-CB 4.42Å; W301-K392 HydrophobicContact CH2-CD 3.65Å; W301-K392 HydrophobicContact CH2-CG 4.35Å; W301-K392 HydrophobicContact CZ2-CB 3.62Å; W301-K392 HydrophobicContact CZ2-CD 3.69Å; W301-K392 HydrophobicContact CZ2-CG 3.87Å; W301-K392 HydrophobicContact CZ3-CD 4.48Å
302V98.9Very high98.8Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-59.9-52.4172.9173.30000110.7A298 A299 R300 K304 S305 L306 V317 V350 F354 L356A298-V302 WeakPolarHBondContact O-CG2 3.4Å; A298-V302 PolarHBondContact O-N 3.38Å; A299-V302 PolarHBondContact O-N 3.34Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 3.14Å; V302-K304 PolarHBondContact O-N 3.11Å; V302-S305 PolarHBondContact O-N 2.65Å; V302-L306 HydrophobicContact CG1-CD1 4.14Å; V302-L306 WeakPolarHBondContact O-CG 3Å; V302-L306 PolarHBondContact O-N 3.24Å; V302-V317 HydrophobicContact CG1-CG1 4.32Å; V302-V317 HydrophobicContact CG1-CG2 4.01Å; V302-V350 HydrophobicContact CG1-CB 4.42Å; V302-V350 HydrophobicContact CG1-CG1 3.87Å; V302-V350 HydrophobicContact CG1-CG2 3.6Å; V302-V350 HydrophobicContact CG2-CG1 4.41Å; V302-F354 HydrophobicContact CG1-CE2 4.38Å; V302-F354 HydrophobicContact CG2-CB 4.29Å; V302-F354 HydrophobicContact CG2-CD1 3.7Å; V302-F354 HydrophobicContact CG2-CD2 3.89Å; V302-F354 HydrophobicContact CG2-CE1 3.89Å; V302-F354 HydrophobicContact CG2-CE2 4.06Å; V302-F354 HydrophobicContact CG2-CG 3.69Å; V302-F354 HydrophobicContact CG2-CZ 4.06Å; V302-L356 HydrophobicContact CG2-CD2 4.29Å
303A98.9Very high98.8Very high0 Ų021.3 Ų21.30%010%0.101CC..Hα-helixtrans-57.9-48.9-178.100000111.9A143 A299 R300 S305 L306 V307 V315 V317A143-A303 VanDerWaalsContact CB-C 3.5Å; A143-A303 HydrophobicContact CB-CB 3.87Å; A143-A303 WeakPolarHBondContact CB-O 3.41Å; A299-A303 WeakPolarHBondContact O-CB 3.29Å; A299-A303 PolarHBondContact O-N 3.24Å; R300-A303 PolarHBondContact O-N 2.89Å; A303-S305 VanDerWaalsContact C-N 3.33Å; A303-S305 PolarHBondContact O-N 3.46Å; A303-L306 PolarHBondContact O-N 3.49Å; A303-V307 PolarHBondContact O-N 3.31Å; A303-V307 VanDerWaalsContact O-N 3.15Å; A303-V315 HydrophobicContact CB-CG1 3.83Å; A303-V317 HydrophobicContact CB-CG2 3.95Å
304K98.9Very high98.8Very high5 Ų522.4 Ų22.42%0.02211%0.105CC..Hα-helixtrans-63.9-38.3178.1-167.2176.8-170-176.30111.7C150 R300 V302 V307 K308 E389C150-K304 HydrophobicContact CB-CG 4.08Å; R300-K304 WeakPolarHBondContact O-CB 3.49Å; R300-K304 PolarHBondContact O-N 3.18Å; V302-K304 PolarHBondContact O-N 3.11Å; K304-V307 PolarHBondContact O-N 2.87Å; K304-K308 HydrophobicContact CG-CG 4.25Å; K304-K308 WeakPolarHBondContact O-CB 3.4Å; K304-K308 WeakPolarHBondContact O-CG 3.25Å; K304-K308 PolarHBondContact O-N 3.41Å; K304-E389 WeakPolarHBondContact CD-O 3.23Å; K304-E389 WeakPolarHBondContact CD-OE2 3.26Å; K304-E389 WeakPolarHBondContact CE-O 3.49Å; K304-E389 WeakPolarHBondContact CE-OE2 3.49Å; K304-E389 PolarHBondContact NZ-O 2.86Å; K304-E389 IonicContact NZ-OE2 3.98Å; K304-E389 PolarHBondContact NZ-OE2 2.66Å
305S98.9Very high98.8Very high1 Ų122.4 Ų22.41%0.00711%0.105CC..Hα-helixtrans-64.1-39.8176.7-58.20000112.3W301 V302 A303 A309 K392W301-S305 VanDerWaalsContact O-CB 3.27Å; W301-S305 WeakPolarHBondContact O-CB 3.33Å; W301-S305 PolarHBondContact O-N 2.99Å; W301-S305 PolarHBondContact O-OG 2.83Å; V302-S305 PolarHBondContact O-N 2.65Å; A303-S305 VanDerWaalsContact C-N 3.33Å; A303-S305 PolarHBondContact O-N 3.46Å; S305-A309 WeakPolarHBondContact O-CB 3.44Å; S305-A309 PolarHBondContact O-N 2.88Å; S305-K392 PolarHBondContact OG-N 2.92Å
306L98.9Very high98.8Very high0 Ų023 Ų230%011%0.108CC..Hα-helixtrans-64.9-44.1176.4-69.2171.5000111.8V302 A303 A309 E310 L311 V315 V350 L394V302-L306 HydrophobicContact CG1-CD1 4.14Å; V302-L306 WeakPolarHBondContact O-CG 3Å; V302-L306 PolarHBondContact O-N 3.24Å; A303-L306 PolarHBondContact O-N 3.49Å; L306-A309 PolarHBondContact O-N 2.94Å; L306-E310 PolarHBondContact O-N 3.37Å; L306-L311 HydrophobicContact CD2-CD1 3.78Å; L306-L311 PolarHBondContact O-N 2.89Å; L306-L311 VanDerWaalsContact O-N 3.14Å; L306-V315 HydrophobicContact CB-CG1 4.41Å; L306-V315 HydrophobicContact CD1-CG1 4.48Å; L306-V315 HydrophobicContact CD1-CG2 4.13Å; L306-V350 HydrophobicContact CD1-CG2 4.04Å; L306-V350 HydrophobicContact CD2-CG2 4.22Å; L306-V350 HydrophobicContact CG-CG2 4.46Å; L306-L394 HydrophobicContact CD2-CD1 3.82Å
307V98.9Very high98.8Very high11 Ų1122.8 Ų22.87%0.06711%0.107CC..Hα-helixtrans-67.4-45.4177.8174.60000111.4A143 D145 A303 K304 A309 E310 C312 V315A143-V307 HydrophobicContact CB-CB 4.23Å; A143-V307 HydrophobicContact CB-CG2 3.65Å; D145-V307 HydrophobicContact CB-CG1 4.12Å; A303-V307 PolarHBondContact O-N 3.31Å; A303-V307 VanDerWaalsContact O-N 3.15Å; K304-V307 PolarHBondContact O-N 2.87Å; V307-A309 PolarHBondContact O-N 3.5Å; V307-E310 WeakPolarHBondContact O-CA 3.49Å; V307-E310 PolarHBondContact O-N 2.9Å; V307-C312 WeakPolarHBondContact CA-O 3.45Å; V307-V315 HydrophobicContact CG2-CG1 3.95Å
308K98.6Very high98.8Very high97 Ų9725 Ų2542%0.42212%0.117SC..Hα-helixtrans-69.9-18.5177.6-70.8-61-167.3-166.80114D148 C150 K304 P391D148-K308 WeakPolarHBondContact O-CE 3.5Å; D148-K308 PolarHBondContact O-NZ 2.88Å; C150-K308 WeakPolarHBondContact SG-CE 3.29Å; K304-K308 HydrophobicContact CG-CG 4.25Å; K304-K308 WeakPolarHBondContact O-CB 3.4Å; K304-K308 WeakPolarHBondContact O-CG 3.25Å; K304-K308 PolarHBondContact O-N 3.41Å; K308-P391 HydrophobicContact CB-CB 3.85Å; K308-P391 HydrophobicContact CB-CG 4.05Å; K308-P391 HydrophobicContact CG-CB 4.15Å; K308-P391 HydrophobicContact CG-CG 4.1Å
309A98.7Very high98.8Very high25 Ų2525 Ų2521%0.20712%0.116CC..THydrogen-bonded Turntrans-85.3516900000112.9S305 L306 V307 L311 L394 Y396S305-A309 WeakPolarHBondContact O-CB 3.44Å; S305-A309 PolarHBondContact O-N 2.88Å; L306-A309 PolarHBondContact O-N 2.94Å; V307-A309 PolarHBondContact O-N 3.5Å; A309-L311 HydrophobicContact CB-CD1 4.26Å; A309-L311 HydrophobicContact CB-CG 4.12Å; A309-L311 PolarHBondContact O-N 3.1Å; A309-L311 VanDerWaalsContact O-N 3.1Å; A309-L394 HydrophobicContact CB-CD1 3.95Å; A309-L394 HydrophobicContact CB-CG 4.42Å; A309-Y396 HydrophobicContact CB-CE1 4.46Å; A309-Y396 PolarHBondContact O-OH 3.22Å
310E98.5Very high98.8Very high179 Ų17925.9 Ų25.984%0.83612%0.123SC*.THydrogen-bonded Turntrans56.625.9-179.2-56.9178.8175.200113.1L306 V307L306-E310 PolarHBondContact O-N 3.37Å; V307-E310 WeakPolarHBondContact O-CA 3.49Å; V307-E310 PolarHBondContact O-N 2.9Å
311L98.8Very high98.8Very high16 Ų1626 Ų268%0.08412%0.123CC..SBendtrans-78.9-25.9176.1-71.2177.2000112L306 A309 S339 K341 L346 I349 L394 Y396L306-L311 HydrophobicContact CD2-CD1 3.78Å; L306-L311 PolarHBondContact O-N 2.89Å; L306-L311 VanDerWaalsContact O-N 3.14Å; A309-L311 HydrophobicContact CB-CD1 4.26Å; A309-L311 HydrophobicContact CB-CG 4.12Å; A309-L311 PolarHBondContact O-N 3.1Å; A309-L311 VanDerWaalsContact O-N 3.1Å; L311-S339 VanDerWaalsContact O-CB 3.24Å; L311-S339 WeakPolarHBondContact O-CB 3.49Å; L311-S339 PolarHBondContact O-OG 2.81Å; L311-K341 HydrophobicContact CD2-CD 4.06Å; L311-L346 HydrophobicContact CB-CD2 4.02Å; L311-L346 HydrophobicContact CD1-CD2 4.32Å; L311-I349 HydrophobicContact CD1-CD1 4.08Å; L311-I349 HydrophobicContact CD1-CG2 4.33Å; L311-L394 HydrophobicContact CD1-CD1 3.85Å; L311-Y396 HydrophobicContact CD1-CD1 4.11Å; L311-Y396 HydrophobicContact CD1-CE1 3.87Å; L311-Y396 HydrophobicContact CD2-CD2 4.13Å; L311-Y396 HydrophobicContact CD2-CE1 4.12Å; L311-Y396 HydrophobicContact CD2-CE2 3.58Å; L311-Y396 HydrophobicContact CG-CE1 4.19Å; L311-Y396 HydrophobicContact CG-CE2 4.49Å
312C98.8Very high98.8Very high6 Ų626.3 Ų26.34%0.04113%0.13CC..  trans-155.3162.3175.7570000109.5V307 H335 T338V307-C312 WeakPolarHBondContact CA-O 3.45Å; C312-H335 HydrophobicContact CB-CB 4.22Å; C312-T338 WeakPolarHBondContact CA-O 3.49Å
313R98.8Very high98.8Very high76 Ų7630 Ų3029%0.28715%0.15SC..SBendtrans-96.1-28.4175.5-59.318061.8-163.7-4.2112.3T144 D145 D192 A195 T338T144-R313 CarbonylContact C-O 3.59Å; T144-R313 WeakPolarHBondContact CA-O 3.34Å; D145-R313 HydrophobicContact CB-CB 4.37Å; D145-R313 PolarHBondContact N-O 2.81Å; D145-R313 IonicContact OD1-NE 2.64Å; D145-R313 IonicContact OD1-NH2 2.75Å; D145-R313 IonicContact OD2-CZ 2.68Å; D145-R313 IonicContact OD2-NE 3.57Å; D145-R313 PolarHBondContact OD2-NE 2.81Å; D145-R313 IonicContact OD2-NH2 2.75Å; D145-R313 PolarHBondContact OD2-NH2 3.45Å; D145-R313 VanDerWaalsContact OD2-NH2 3.09Å; D192-R313 IonicContact OD2-CZ 3.92Å; D192-R313 IonicContact OD2-NH1 3.25Å; D192-R313 PolarHBondContact OD2-NH1 3.07Å; D192-R313 IonicContact OD2-NH2 3.9Å; A195-R313 HydrophobicContact CB-CB 3.97Å; R313-T338 HydrophobicContact CB-CG2 4.23Å; R313-T338 PolarHBondContact N-O 3.48Å; R313-T338 PolarHBondContact N-OG1 3.43Å; R313-T338 VanDerWaalsContact N-OG1 3.08Å
314R98.8Very high98.7Very high25 Ų2530.8 Ų30.89%0.09416%0.157CC..EExtended strand (participates in β ladder)trans-143.5133177.9-168.9172.873.4165.6-4110.2Y142 A143 G194 M196 H335 Y336 T338Y142-R314 HydrophobicContact CE2-CG 3.74Å; Y142-R314 VanDerWaalsContact OH-CD 3.24Å; Y142-R314 WeakPolarHBondContact OH-CD 3.35Å; A143-R314 WeakPolarHBondContact O-CA 3.41Å; G194-R314 PolarHBondContact O-NE 2.9Å; G194-R314 PolarHBondContact O-NH2 3.07Å; G194-R314 VanDerWaalsContact O-NH2 3.08Å; M196-R314 VanDerWaalsContact CG-NH1 3.31Å; M196-R314 PolarHBondContact SD-NH1 3.08Å; R314-H335 CarbonylContact O-C 3.54Å; R314-H335 VanDerWaalsContact O-C 3.28Å; R314-H335 WeakPolarHBondContact O-CA 3.5Å; R314-Y336 HydrophobicContact CB-CD2 4.25Å; R314-Y336 HydrophobicContact CG-CD2 3.85Å; R314-Y336 HydrophobicContact CG-CE2 4.16Å; R314-T338 HydrophobicContact CB-CG2 4.11Å; R314-T338 PolarHBondContact N-OG1 3.29Å; R314-T338 PolarHBondContact O-OG1 2.83Å; R314-T338 VanDerWaalsContact O-OG1 3.08Å
315V98.9Very high98.7Very high0 Ų033.5 Ų33.50%017%0.174CC..EExtended strand (participates in β ladder)trans-147.1140.8-178.6680000112.6Y142 A143 A303 L306 V307 V317 I333 F334Y142-V315 WeakPolarHBondContact CA-O 3.44Å; Y142-V315 VanDerWaalsContact CD2-O 3.29Å; Y142-V315 WeakPolarHBondContact CD2-O 3.44Å; A143-V315 HydrophobicContact CB-CG1 4.37Å; A143-V315 PolarHBondContact N-O 2.75Å; A143-V315 VanDerWaalsContact N-O 3.12Å; A143-V315 PolarHBondContact O-N 3.49Å; A303-V315 HydrophobicContact CB-CG1 3.83Å; L306-V315 HydrophobicContact CB-CG1 4.41Å; L306-V315 HydrophobicContact CD1-CG1 4.48Å; L306-V315 HydrophobicContact CD1-CG2 4.13Å; V307-V315 HydrophobicContact CG2-CG1 3.95Å; V315-V317 HydrophobicContact CG2-CG2 4.32Å; V315-I333 HydrophobicContact CG2-CG2 3.74Å; V315-F334 CarbonylContact C-O 3.45Å; V315-F334 VanDerWaalsContact CA-O 3.31Å; V315-F334 WeakPolarHBondContact CA-O 3.43Å
316L98.9Very high98.7Very high13 Ų1333.9 Ų33.97%0.06818%0.177CC..EExtended strand (participates in β ladder)trans-114.4130.8167.3-18067.5000108.6F140 G141 Y142 A277 F334 Y336F140-L316 HydrophobicContact CB-CD1 3.99Å; F140-L316 HydrophobicContact CD1-CD1 3.73Å; F140-L316 HydrophobicContact CD1-CD2 4.14Å; F140-L316 HydrophobicContact CD1-CG 3.97Å; F140-L316 HydrophobicContact CE1-CD2 4.27Å; F140-L316 HydrophobicContact CG-CD1 4.23Å; G141-L316 CarbonylContact O-C 3.42Å; G141-L316 WeakPolarHBondContact O-CA 3.32Å; Y142-L316 HydrophobicContact CD2-CD1 4.5Å; A277-L316 HydrophobicContact CB-CD1 4.19Å; A277-L316 HydrophobicContact CB-CD2 4.01Å; L316-F334 HydrophobicContact CB-CB 4.29Å; L316-F334 HydrophobicContact CB-CD2 4.28Å; L316-F334 HydrophobicContact CD2-CD2 4.12Å; L316-F334 HydrophobicContact CG-CD2 4.22Å; L316-F334 PolarHBondContact N-O 3.09Å; L316-F334 PolarHBondContact O-N 3.17Å; L316-Y336 HydrophobicContact CB-CE2 3.82Å; L316-Y336 WeakPolarHBondContact CB-OH 3.4Å
317V98.9Very high98.7Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-115.2126.5178.4179.90000107.2F140 G141 A299 V302 A303 V315 V319 S332 I333F140-V317 CarbonylContact C-O 3.55Å; F140-V317 WeakPolarHBondContact CA-O 3.4Å; G141-V317 PolarHBondContact N-O 3.38Å; G141-V317 PolarHBondContact O-N 3.3Å; A299-V317 HydrophobicContact CB-CB 4.49Å; A299-V317 HydrophobicContact CB-CG1 4.28Å; V302-V317 HydrophobicContact CG1-CG1 4.32Å; V302-V317 HydrophobicContact CG1-CG2 4.01Å; A303-V317 HydrophobicContact CB-CG2 3.95Å; V315-V317 HydrophobicContact CG2-CG2 4.32Å; V317-V319 HydrophobicContact CG1-CG1 4.43Å; V317-S332 CarbonylContact C-O 3.28Å; V317-S332 WeakPolarHBondContact CA-O 3.46Å; V317-I333 HydrophobicContact CB-CD1 4.27Å; V317-I333 HydrophobicContact CG1-CD1 3.91Å; V317-I333 HydrophobicContact CG2-CD1 3.8Å
318Q98.9Very high98.7Very high45 Ų4539.8 Ų39.821%0.2121%0.206CC..EExtended strand (participates in β ladder)trans-109.9138.2171-171.2-176.743.600109.5M139 F140 I331 S332 F334M139-Q318 WeakPolarHBondContact O-CA 3.43Å; F140-Q318 HydrophobicContact CD1-CB 3.8Å; F140-Q318 HydrophobicContact CD1-CG 3.97Å; F140-Q318 HydrophobicContact CE1-CB 3.59Å; F140-Q318 HydrophobicContact CE1-CG 3.49Å; F140-Q318 VanDerWaalsContact CE1-CG 3.49Å; F140-Q318 HydrophobicContact CZ-CB 4.44Å; F140-Q318 HydrophobicContact CZ-CG 3.85Å; Q318-I331 CarbonylContact O-C 3.52Å; Q318-I331 VanDerWaalsContact O-CA 3.29Å; Q318-I331 WeakPolarHBondContact O-CA 3.23Å; Q318-S332 PolarHBondContact N-O 2.94Å; Q318-S332 PolarHBondContact O-N 2.83Å; Q318-F334 HydrophobicContact CB-CE2 4.43Å
319V98.9Very high98.7Very high1 Ų140.4 Ų40.41%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-131.3151.9168.5-62.20000109.6L138 M139 A295 A299 V317 Y321 S330 I331 L356L138-V319 CarbonylContact C-O 3.52Å; L138-V319 VanDerWaalsContact CA-O 3.31Å; L138-V319 WeakPolarHBondContact CA-O 3.24Å; M139-V319 HydrophobicContact CB-CG2 3.92Å; M139-V319 PolarHBondContact N-O 3.32Å; M139-V319 PolarHBondContact O-N 2.91Å; A295-V319 HydrophobicContact CB-CG2 4.02Å; A299-V319 HydrophobicContact CB-CG2 4.44Å; V317-V319 HydrophobicContact CG1-CG1 4.43Å; V319-Y321 HydrophobicContact CB-CE2 4.26Å; V319-Y321 HydrophobicContact CG2-CE2 3.99Å; V319-S330 WeakPolarHBondContact CA-O 3.15Å; V319-I331 HydrophobicContact CG1-CG1 4.31Å; V319-I331 HydrophobicContact CG1-CG2 4.29Å; V319-L356 HydrophobicContact CG1-CD1 3.81Å
320S98.8Very high98.7Very high20 Ų2041.3 Ų41.314%0.1422%0.218CC..EExtended strand (participates in β ladder)trans-142.3155.2174.168.60000112.6G137 P328 L329 S330G137-S320 CarbonylContact O-C 3.58Å; G137-S320 WeakPolarHBondContact O-CA 3.43Å; G137-S320 VanDerWaalsContact O-CB 3.27Å; G137-S320 WeakPolarHBondContact O-CB 3.32Å; S320-P328 CarbonylContact O-C 3.55Å; S320-P328 WeakPolarHBondContact O-CA 3.44Å; S320-P328 WeakPolarHBondContact O-CB 3.48Å; S320-L329 PolarHBondContact O-N 2.96Å; S320-S330 PolarHBondContact N-O 2.89Å; S320-S330 PolarHBondContact OG-N 3.01Å; S320-S330 PolarHBondContact OG-OG 2.83Å
321Y98.9Very high98.7Very high4 Ų434.1 Ų34.12%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-136.3160.1-177.6-60.9-95.7000111.2A133 Q136 G137 M139 V291 A295 V319 P328 L356A133-Y321 HydrophobicContact CB-CD1 3.96Å; A133-Y321 HydrophobicContact CB-CG 3.96Å; Q136-Y321 VanDerWaalsContact CA-O 3.23Å; Q136-Y321 WeakPolarHBondContact CA-O 3.21Å; Q136-Y321 WeakPolarHBondContact CB-O 3.34Å; G137-Y321 PolarHBondContact N-O 3.14Å; G137-Y321 VanDerWaalsContact N-O 3.11Å; G137-Y321 PolarHBondContact O-N 3.07Å; M139-Y321 HydrophobicContact SD-CD2 4.06Å; M139-Y321 HydrophobicContact SD-CE2 4.32Å; V291-Y321 HydrophobicContact CB-CD2 3.93Å; V291-Y321 HydrophobicContact CB-CE2 4.28Å; V291-Y321 HydrophobicContact CB-CG 4.34Å; V291-Y321 HydrophobicContact CG1-CD1 4.32Å; V291-Y321 HydrophobicContact CG1-CD2 4.08Å; V291-Y321 HydrophobicContact CG1-CE2 4.32Å; V291-Y321 HydrophobicContact CG1-CG 4.1Å; V291-Y321 HydrophobicContact CG2-CD2 4.07Å; V291-Y321 HydrophobicContact CG2-CG 4.28Å; A295-Y321 HydrophobicContact CB-CD2 4.35Å; A295-Y321 HydrophobicContact CB-CE2 3.43Å; A295-Y321 VanDerWaalsContact CB-CE2 3.43Å; V319-Y321 HydrophobicContact CB-CE2 4.26Å; V319-Y321 HydrophobicContact CG2-CE2 3.99Å; Y321-P328 HydrophobicContact CE1-CB 4.03Å; Y321-P328 HydrophobicContact CE1-CG 3.75Å; Y321-L356 PolarHBondContact OH-O 3.34Å
322A98.5Very high98.7Very high28 Ų2835 Ų3523%0.23119%0.193CC..  trans-111.1145.7160.800000108.8G324 V325 L329A322-G324 PolarHBondContact O-N 2.64Å; A322-V325 HydrophobicContact CB-CB 4.36Å; A322-V325 HydrophobicContact CB-CG2 3.99Å; A322-V325 PolarHBondContact O-N 2.81Å; A322-L329 HydrophobicContact CB-CD1 3.91Å; A322-L329 HydrophobicContact CB-CD2 4.21Å; A322-L329 HydrophobicContact CB-CG 4.37Å
323I98.1Very high98.7Very high79 Ų7935 Ų3541%0.40519%0.193SC..BIsolated β-bridgetrans-54134.5176.6-168.9168.7000111V122 A133 V325V122-I323 HydrophobicContact CG2-CD1 4.44Å; V122-I323 HydrophobicContact CG2-CG1 3.99Å; A133-I323 WeakPolarHBondContact O-CA 3.49Å; I323-V325 PolarHBondContact O-N 2.87Å
324G97.9Very high98.7Very high16 Ų1635.1 Ų35.117%0.16520%0.195CC..THydrogen-bonded Turntrans76.8-6.2-178.600000115.2G121 R126 A133 A322G121-G324 VanDerWaalsContact O-CA 3.22Å; G121-G324 WeakPolarHBondContact O-CA 3.27Å; R126-G324 PolarHBondContact NH1-O 2.96Å; R126-G324 PolarHBondContact NH2-O 3.18Å; A133-G324 PolarHBondContact O-N 2.69Å; A322-G324 PolarHBondContact O-N 2.64Å
325V98.7Very high98.7Very high62 Ų6235 Ų3538%0.37620%0.196SC..  trans-97.9125.7175.8-175.30000109.5A133 A322 I323A133-V325 WeakPolarHBondContact CB-O 3.43Å; A133-V325 PolarHBondContact N-O 2.98Å; A322-V325 HydrophobicContact CB-CB 4.36Å; A322-V325 HydrophobicContact CB-CG2 3.99Å; A322-V325 PolarHBondContact O-N 2.81Å; I323-V325 PolarHBondContact O-N 2.87Å
326A98.4Very high98.7Very high8 Ų838.8 Ų38.87%0.06621%0.21CC..  trans-75.6-45-176.200000112.2V131 R357 P358V131-A326 WeakPolarHBondContact O-CB 3.37Å; A326-R357 HydrophobicContact CB-CG 4.06Å; A326-R357 WeakPolarHBondContact O-CA 3.32Å; A326-P358 WeakPolarHBondContact O-CD 3.45Å
327H98.7Very high98.7Very high109 Ų10940.9 Ų40.951%0.50524%0.235SC..SBendtrans-76.8146.6180-74.3-75.8000111.8R357H327-R357 VanDerWaalsContact CE1-CD 3.46Å; H327-R357 WeakPolarHBondContact CE1-CD 3.48Å
328P98.6Very high98.6Very high26 Ų2641.8 Ų41.817%0.16924%0.241CC..  trans-60141.2171.4-1626.1000111.6S320 Y321 I331 L356S320-P328 CarbonylContact O-C 3.55Å; S320-P328 WeakPolarHBondContact O-CA 3.44Å; S320-P328 WeakPolarHBondContact O-CB 3.48Å; Y321-P328 HydrophobicContact CE1-CB 4.03Å; Y321-P328 HydrophobicContact CE1-CG 3.75Å; P328-I331 HydrophobicContact CB-CD1 4.46Å; P328-I331 HydrophobicContact CB-CG1 4.01Å; P328-I331 HydrophobicContact CG-CD1 4.22Å; P328-I331 HydrophobicContact CG-CG1 4.25Å; P328-L356 HydrophobicContact CG-CB 3.78Å
329L98.7Very high98.6Very high110 Ų11040.6 Ų40.658%0.57624%0.237SC*.SBendtrans-70.9-37.7171.8-57.7178.6000111.3S320 A322S320-L329 PolarHBondContact O-N 2.96Å; A322-L329 HydrophobicContact CB-CD1 3.91Å; A322-L329 HydrophobicContact CB-CD2 4.21Å; A322-L329 HydrophobicContact CB-CG 4.37Å
330S98.7Very high98.6Very high44 Ų4450.3 Ų50.331%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-142.9151177.569.90000111.5V319 S320V319-S330 WeakPolarHBondContact CA-O 3.15Å; S320-S330 PolarHBondContact N-O 2.89Å; S320-S330 PolarHBondContact OG-N 3.01Å; S320-S330 PolarHBondContact OG-OG 2.83Å
331I98.9Very high98.6Very high29 Ų2952.5 Ų52.515%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-137.5123168.9-52.7172.6000106.5Q318 V319 P328 L347 L356Q318-I331 CarbonylContact O-C 3.52Å; Q318-I331 VanDerWaalsContact O-CA 3.29Å; Q318-I331 WeakPolarHBondContact O-CA 3.23Å; V319-I331 HydrophobicContact CG1-CG1 4.31Å; V319-I331 HydrophobicContact CG1-CG2 4.29Å; P328-I331 HydrophobicContact CB-CD1 4.46Å; P328-I331 HydrophobicContact CB-CG1 4.01Å; P328-I331 HydrophobicContact CG-CD1 4.22Å; P328-I331 HydrophobicContact CG-CG1 4.25Å; I331-L347 HydrophobicContact CB-CD1 3.86Å; I331-L347 HydrophobicContact CG2-CD1 3.59Å; I331-L356 HydrophobicContact CD1-CD1 3.94Å; I331-L356 HydrophobicContact CG1-CD1 4.42Å
332S98.9Very high98.6Very high35 Ų3554.6 Ų54.625%0.24531%0.305CS..EExtended strand (participates in β ladder)trans-125.8143.4179.3-51.40000110.3V317 Q318V317-S332 CarbonylContact C-O 3.28Å; V317-S332 WeakPolarHBondContact CA-O 3.46Å; Q318-S332 PolarHBondContact N-O 2.94Å; Q318-S332 PolarHBondContact O-N 2.83Å
333I98.9Very high98.6Very high6 Ų657 Ų573%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-123.6129178.3-53.8-63.2000108.1V315 V317 E343 L346 L347 V350V315-I333 HydrophobicContact CG2-CG2 3.74Å; V317-I333 HydrophobicContact CB-CD1 4.27Å; V317-I333 HydrophobicContact CG1-CD1 3.91Å; V317-I333 HydrophobicContact CG2-CD1 3.8Å; I333-E343 WeakPolarHBondContact O-CB 3.47Å; I333-E343 WeakPolarHBondContact O-CG 3.42Å; I333-L346 HydrophobicContact CG2-CB 4.02Å; I333-L346 HydrophobicContact CG2-CD1 4.11Å; I333-L347 HydrophobicContact CG1-CB 4.08Å; I333-L347 HydrophobicContact CG1-CD1 4.25Å; I333-V350 HydrophobicContact CD1-CG2 4.03Å
334F98.9Very high98.6Very high78 Ų7861.5 Ų61.534%0.34232%0.323SS..EExtended strand (participates in β ladder)trans-125.1111.6175.6-49-76.5000109.2V315 L316 Q318 E343V315-F334 CarbonylContact C-O 3.45Å; V315-F334 VanDerWaalsContact CA-O 3.31Å; V315-F334 WeakPolarHBondContact CA-O 3.43Å; L316-F334 HydrophobicContact CB-CB 4.29Å; L316-F334 HydrophobicContact CB-CD2 4.28Å; L316-F334 HydrophobicContact CD2-CD2 4.12Å; L316-F334 HydrophobicContact CG-CD2 4.22Å; L316-F334 PolarHBondContact N-O 3.09Å; L316-F334 PolarHBondContact O-N 3.17Å; Q318-F334 HydrophobicContact CB-CE2 4.43Å; F334-E343 VanDerWaalsContact CA-OE1 3.32Å; F334-E343 WeakPolarHBondContact CA-OE1 3.42Å
335H98.6Very high98.6Very high22 Ų2264.4 Ų64.410%0.10233%0.333CS..  trans-101.66.8-173.368.858.3000113.6C312 R314 G337 T338 K341 E343 L346C312-H335 HydrophobicContact CB-CB 4.22Å; R314-H335 CarbonylContact O-C 3.54Å; R314-H335 VanDerWaalsContact O-C 3.28Å; R314-H335 WeakPolarHBondContact O-CA 3.5Å; H335-G337 WeakPolarHBondContact ND1-CA 3.16Å; H335-G337 PolarHBondContact ND1-N 2.99Å; H335-G337 PolarHBondContact O-N 2.78Å; H335-T338 PolarHBondContact ND1-N 2.98Å; H335-T338 WeakPolarHBondContact O-CB 3.17Å; H335-T338 PolarHBondContact O-N 2.59Å; H335-T338 PolarHBondContact O-OG1 2.81Å; H335-K341 PolarHBondContact NE2-O 2.89Å; H335-E343 WeakPolarHBondContact CD2-CG 3.49Å; H335-E343 PolarHBondContact N-OE1 2.86Å; H335-L346 HydrophobicContact CB-CD1 3.91Å
336Y98.5Very high98.7Very high79 Ų7961.5 Ų61.531%0.3132%0.315SS..THydrogen-bonded Turntrans54.830.1175.8-58.8-88.1000115Y142 G194 R314 L316 T338Y142-Y336 HydrophobicContact CE2-CE2 4.37Å; G194-Y336 WeakPolarHBondContact CA-O 3.42Å; R314-Y336 HydrophobicContact CB-CD2 4.25Å; R314-Y336 HydrophobicContact CG-CD2 3.85Å; R314-Y336 HydrophobicContact CG-CE2 4.16Å; L316-Y336 HydrophobicContact CB-CE2 3.82Å; L316-Y336 WeakPolarHBondContact CB-OH 3.4Å; Y336-T338 PolarHBondContact O-N 3.17Å
337G98.3Very high98.7Very high57 Ų5762.4 Ų62.459%0.58832%0.318SS*.THydrogen-bonded Turntrans73.35.1-174.200000115.6H335 S339H335-G337 WeakPolarHBondContact ND1-CA 3.16Å; H335-G337 PolarHBondContact ND1-N 2.99Å; H335-G337 PolarHBondContact O-N 2.78Å; G337-S339 PolarHBondContact O-N 3.2Å
338T98.6Very high98.7Very high19 Ų1960 Ų6012%0.11731%0.309CS..  trans-89.89.7-174.570.70000115.4A195 C312 R313 R314 H335 Y336A195-T338 HydrophobicContact CB-CG2 4.25Å; C312-T338 WeakPolarHBondContact CA-O 3.49Å; R313-T338 HydrophobicContact CB-CG2 4.23Å; R313-T338 PolarHBondContact N-O 3.48Å; R313-T338 PolarHBondContact N-OG1 3.43Å; R313-T338 VanDerWaalsContact N-OG1 3.08Å; R314-T338 HydrophobicContact CB-CG2 4.11Å; R314-T338 PolarHBondContact N-OG1 3.29Å; R314-T338 PolarHBondContact O-OG1 2.83Å; R314-T338 VanDerWaalsContact O-OG1 3.08Å; H335-T338 PolarHBondContact ND1-N 2.98Å; H335-T338 WeakPolarHBondContact O-CB 3.17Å; H335-T338 PolarHBondContact O-N 2.59Å; H335-T338 PolarHBondContact O-OG1 2.81Å; Y336-T338 PolarHBondContact O-N 3.17Å
339S98.6Very high98.7Very high20 Ų2059.3 Ų59.314%0.1430%0.304CS..  trans-122146.4-178.8169.90000109.8L311 G337 K341L311-S339 VanDerWaalsContact O-CB 3.24Å; L311-S339 WeakPolarHBondContact O-CB 3.49Å; L311-S339 PolarHBondContact O-OG 2.81Å; G337-S339 PolarHBondContact O-N 3.2Å; S339-K341 WeakPolarHBondContact CB-O 3.49Å; S339-K341 WeakPolarHBondContact OG-CA 3.5Å; S339-K341 PolarHBondContact OG-N 3.21Å; S339-K341 PolarHBondContact OG-O 2.88Å
340Q98Very high98.7Very high206 Ų20654.1 Ų54.196%0.96328%0.277SS*.SBendtrans-79.4-25.4166.9-64.3-175.54.700112.3
341K98.6Very high98.7Very high65 Ų6559.1 Ų59.128%0.28329%0.289SS..SBendtrans-83.1143.4173.1-66.4-177.4-179-66.90110.2L311 H335 S339 E345 L346 I349L311-K341 HydrophobicContact CD2-CD 4.06Å; H335-K341 PolarHBondContact NE2-O 2.89Å; S339-K341 WeakPolarHBondContact CB-O 3.49Å; S339-K341 WeakPolarHBondContact OG-CA 3.5Å; S339-K341 PolarHBondContact OG-N 3.21Å; S339-K341 PolarHBondContact OG-O 2.88Å; K341-E345 HydrophobicContact CB-CB 4.13Å; K341-L346 HydrophobicContact CB-CD2 3.98Å; K341-L346 HydrophobicContact CB-CG 4.26Å; K341-L346 HydrophobicContact CD-CD2 4.16Å; K341-I349 HydrophobicContact CD-CD1 3.81Å
342S98.8Very high98.6Very high48 Ų4865.6 Ų65.634%0.33632%0.316SS..  trans-65156.2172.563.10000112.1R344 E345 L346S342-R344 PolarHBondContact O-N 3.43Å; S342-E345 WeakPolarHBondContact CB-OE2 3.25Å; S342-E345 PolarHBondContact N-OE2 3.03Å; S342-E345 PolarHBondContact O-N 2.84Å; S342-E345 WeakPolarHBondContact OG-CG 3.48Å; S342-E345 PolarHBondContact OG-N 2.84Å; S342-E345 PolarHBondContact OG-OE2 2.85Å; S342-L346 PolarHBondContact O-N 3.45Å
343E98.8Very high98.6Very high79 Ų7964.8 Ų64.837%0.36931%0.309SS..Hα-helixtrans-54.4-34.5173.8-66.7173.8159.700112.3I333 F334 H335 L346 L347I333-E343 WeakPolarHBondContact O-CB 3.47Å; I333-E343 WeakPolarHBondContact O-CG 3.42Å; F334-E343 VanDerWaalsContact CA-OE1 3.32Å; F334-E343 WeakPolarHBondContact CA-OE1 3.42Å; H335-E343 WeakPolarHBondContact CD2-CG 3.49Å; H335-E343 PolarHBondContact N-OE1 2.86Å; E343-L346 PolarHBondContact O-N 2.88Å; E343-L347 WeakPolarHBondContact O-CB 3.49Å; E343-L347 PolarHBondContact O-N 3.46Å
344R98.7Very high98.6Very high174 Ų17465.1 Ų65.166%0.65731%0.31SS*.Hα-helixtrans-64-46.5174.1-174.6179.869.193.5-1.7112.2S342 L346 L347 D348S342-R344 PolarHBondContact O-N 3.43Å; R344-L346 VanDerWaalsContact C-N 3.34Å; R344-L347 WeakPolarHBondContact O-CB 3.32Å; R344-L347 PolarHBondContact O-N 3.07Å; R344-D348 PolarHBondContact O-N 3.35Å
345E98.8Very high98.6Very high77 Ų7764.1 Ų64.136%0.3631%0.309SS..Hα-helixtrans-64.8-40177.2-72.5165.810300111.5K341 S342 D348 I349K341-E345 HydrophobicContact CB-CB 4.13Å; S342-E345 WeakPolarHBondContact CB-OE2 3.25Å; S342-E345 PolarHBondContact N-OE2 3.03Å; S342-E345 PolarHBondContact O-N 2.84Å; S342-E345 WeakPolarHBondContact OG-CG 3.48Å; S342-E345 PolarHBondContact OG-N 2.84Å; S342-E345 PolarHBondContact OG-OE2 2.85Å; E345-D348 PolarHBondContact O-N 3.42Å; E345-I349 WeakPolarHBondContact O-CG1 3.4Å; E345-I349 PolarHBondContact O-N 3.42Å
346L98.9Very high98.6Very high0 Ų063.5 Ų63.50%031%0.306CS..Hα-helixtrans-63.2-41.4174.2-63.9-178000111.6L311 I333 H335 K341 S342 E343 R344 D348 I349 V350L311-L346 HydrophobicContact CB-CD2 4.02Å; L311-L346 HydrophobicContact CD1-CD2 4.32Å; I333-L346 HydrophobicContact CG2-CB 4.02Å; I333-L346 HydrophobicContact CG2-CD1 4.11Å; H335-L346 HydrophobicContact CB-CD1 3.91Å; K341-L346 HydrophobicContact CB-CD2 3.98Å; K341-L346 HydrophobicContact CB-CG 4.26Å; K341-L346 HydrophobicContact CD-CD2 4.16Å; S342-L346 PolarHBondContact O-N 3.45Å; E343-L346 PolarHBondContact O-N 2.88Å; R344-L346 VanDerWaalsContact C-N 3.34Å; L346-D348 VanDerWaalsContact C-N 3.32Å; L346-D348 PolarHBondContact O-N 2.9Å; L346-I349 HydrophobicContact CD2-CD1 4.38Å; L346-I349 WeakPolarHBondContact O-CB 3.36Å; L346-I349 PolarHBondContact O-N 3.02Å; L346-V350 WeakPolarHBondContact O-CG2 3.21Å; L346-V350 PolarHBondContact O-N 2.8Å
347L98.8Very high98.7Very high27 Ų2761.3 Ų61.314%0.14130%0.297CS..Hα-helixtrans-60.4-41.2174.9177.261.7000111.9I331 I333 E343 R344 I349 V350 R351I331-L347 HydrophobicContact CB-CD1 3.86Å; I331-L347 HydrophobicContact CG2-CD1 3.59Å; I333-L347 HydrophobicContact CG1-CB 4.08Å; I333-L347 HydrophobicContact CG1-CD1 4.25Å; E343-L347 WeakPolarHBondContact O-CB 3.49Å; E343-L347 PolarHBondContact O-N 3.46Å; R344-L347 WeakPolarHBondContact O-CB 3.32Å; R344-L347 PolarHBondContact O-N 3.07Å; L347-I349 VanDerWaalsContact C-N 3.33Å; L347-I349 PolarHBondContact O-N 3.13Å; L347-V350 PolarHBondContact O-N 3Å; L347-R351 HydrophobicContact CD1-CG 4.33Å; L347-R351 WeakPolarHBondContact O-CG 3.46Å; L347-R351 PolarHBondContact O-N 2.8Å
348D98.8Very high98.7Very high58 Ų5858.6 Ų58.631%0.3127%0.269SS..Hα-helixtrans-64.4-37.9175.9-71.4-23.5000111.8R344 E345 L346 K352R344-D348 PolarHBondContact O-N 3.35Å; E345-D348 PolarHBondContact O-N 3.42Å; L346-D348 VanDerWaalsContact C-N 3.32Å; L346-D348 PolarHBondContact O-N 2.9Å; D348-K352 VanDerWaalsContact O-CG 3.3Å; D348-K352 WeakPolarHBondContact O-CG 3.11Å; D348-K352 PolarHBondContact O-N 2.77Å; D348-K352 VanDerWaalsContact O-N 3.15Å
349I98.8Very high98.7Very high12 Ų1257.7 Ų57.76%0.06226%0.264CS..Hα-helixtrans-62.3-46.7172.2-65.4170.5000110.1L311 K341 E345 L346 L347 R351 K352 N353 L394 Y396L311-I349 HydrophobicContact CD1-CD1 4.08Å; L311-I349 HydrophobicContact CD1-CG2 4.33Å; K341-I349 HydrophobicContact CD-CD1 3.81Å; E345-I349 WeakPolarHBondContact O-CG1 3.4Å; E345-I349 PolarHBondContact O-N 3.42Å; L346-I349 HydrophobicContact CD2-CD1 4.38Å; L346-I349 WeakPolarHBondContact O-CB 3.36Å; L346-I349 PolarHBondContact O-N 3.02Å; L347-I349 VanDerWaalsContact C-N 3.33Å; L347-I349 PolarHBondContact O-N 3.13Å; I349-R351 PolarHBondContact O-N 3.19Å; I349-K352 PolarHBondContact O-N 3.4Å; I349-N353 PolarHBondContact O-N 3.25Å; I349-N353 PolarHBondContact O-ND2 2.89Å; I349-L394 HydrophobicContact CG2-CB 4.47Å; I349-L394 HydrophobicContact CG2-CD1 4.25Å; I349-Y396 HydrophobicContact CD1-CD1 4.49Å; I349-Y396 HydrophobicContact CD1-CD2 4.42Å; I349-Y396 HydrophobicContact CD1-CG 3.93Å; I349-Y396 HydrophobicContact CG1-CG 4.44Å; I349-Y396 HydrophobicContact CG2-CD1 4.24Å
350V98.8Very high98.7Very high1 Ų157 Ų571%0.00626%0.258CS..Hα-helixtrans-59.5-49.4178.81710000110.7V302 L306 I333 L346 L347 K352 N353 F354V302-V350 HydrophobicContact CG1-CB 4.42Å; V302-V350 HydrophobicContact CG1-CG1 3.87Å; V302-V350 HydrophobicContact CG1-CG2 3.6Å; V302-V350 HydrophobicContact CG2-CG1 4.41Å; L306-V350 HydrophobicContact CD1-CG2 4.04Å; L306-V350 HydrophobicContact CD2-CG2 4.22Å; L306-V350 HydrophobicContact CG-CG2 4.46Å; I333-V350 HydrophobicContact CD1-CG2 4.03Å; L346-V350 WeakPolarHBondContact O-CG2 3.21Å; L346-V350 PolarHBondContact O-N 2.8Å; L347-V350 PolarHBondContact O-N 3Å; V350-K352 VanDerWaalsContact C-N 3.25Å; V350-K352 PolarHBondContact O-N 3.45Å; V350-N353 PolarHBondContact O-N 2.62Å; V350-F354 HydrophobicContact CB-CD2 4.48Å; V350-F354 HydrophobicContact CG1-CD2 4.08Å; V350-F354 WeakPolarHBondContact O-CD2 3.39Å; V350-F354 PolarHBondContact O-N 3.47Å
351R98.3Very high98.7Very high150 Ų15047.3 Ų47.357%0.56621%0.213SC*.Hα-helixtrans-60.1-31.6179.5-74.9175.3170.8175.2-3.6113.8L347 I349L347-R351 HydrophobicContact CD1-CG 4.33Å; L347-R351 WeakPolarHBondContact O-CG 3.46Å; L347-R351 PolarHBondContact O-N 2.8Å; I349-R351 PolarHBondContact O-N 3.19Å
352K98.5Very high98.7Very high164 Ų16444.4 Ų44.471%0.71320%0.201SC*.Hα-helixtrans-77.2-23.3176.7-73.6172.1-176.9174.70113.7D348 I349 V350D348-K352 VanDerWaalsContact O-CG 3.3Å; D348-K352 WeakPolarHBondContact O-CG 3.11Å; D348-K352 PolarHBondContact O-N 2.77Å; D348-K352 VanDerWaalsContact O-N 3.15Å; I349-K352 PolarHBondContact O-N 3.4Å; V350-K352 VanDerWaalsContact C-N 3.25Å; V350-K352 PolarHBondContact O-N 3.45Å
353N98.8Very high98.7Very high18 Ų1848 Ų4810%0.09621%0.207CC..Hα-helixtrans-111.3-20.5-170-73.5-85.1000113.7I349 V350 K392 L394 K395I349-N353 PolarHBondContact O-N 3.25Å; I349-N353 PolarHBondContact O-ND2 2.89Å; V350-N353 PolarHBondContact O-N 2.62Å; N353-K392 VanDerWaalsContact O-CE 3.25Å; N353-K392 WeakPolarHBondContact O-CE 3.46Å; N353-K392 PolarHBondContact O-NZ 3.15Å; N353-L394 HydrophobicContact CB-CD2 3.95Å; N353-K395 PolarHBondContact ND2-O 3.3Å; N353-K395 PolarHBondContact OD1-N 3.28Å
354F98.8Very high98.7Very high13 Ų1348.1 Ų48.16%0.05721%0.208CC..  trans-128.3127.8-175.5-59.8-88.8000111.1W301 V302 V350 L356 K392 L394W301-F354 HydrophobicContact CD2-CD1 4.28Å; W301-F354 AromaticContact CD2-CE1 3.7Å; W301-F354 HydrophobicContact CD2-CE1 3.7Å; W301-F354 AromaticContact CE2-CE1 3.97Å; W301-F354 AromaticContact CE3-CD1 3.59Å; W301-F354 HydrophobicContact CE3-CD1 3.59Å; W301-F354 AromaticContact CE3-CE1 3.49Å; W301-F354 HydrophobicContact CE3-CE1 3.49Å; W301-F354 VanDerWaalsContact CE3-CE1 3.49Å; W301-F354 HydrophobicContact CG-CE1 4.48Å; W301-F354 HydrophobicContact CH2-CD1 4.06Å; W301-F354 AromaticContact CH2-CE1 3.95Å; W301-F354 HydrophobicContact CH2-CE1 3.95Å; W301-F354 HydrophobicContact CZ2-CE1 4.11Å; W301-F354 AromaticContact CZ3-CD1 3.46Å; W301-F354 HydrophobicContact CZ3-CD1 3.46Å; W301-F354 VanDerWaalsContact CZ3-CD1 3.46Å; W301-F354 AromaticContact CZ3-CE1 3.63Å; W301-F354 HydrophobicContact CZ3-CE1 3.63Å; V302-F354 HydrophobicContact CG1-CE2 4.38Å; V302-F354 HydrophobicContact CG2-CB 4.29Å; V302-F354 HydrophobicContact CG2-CD1 3.7Å; V302-F354 HydrophobicContact CG2-CD2 3.89Å; V302-F354 HydrophobicContact CG2-CE1 3.89Å; V302-F354 HydrophobicContact CG2-CE2 4.06Å; V302-F354 HydrophobicContact CG2-CG 3.69Å; V302-F354 HydrophobicContact CG2-CZ 4.06Å; V350-F354 HydrophobicContact CB-CD2 4.48Å; V350-F354 HydrophobicContact CG1-CD2 4.08Å; V350-F354 WeakPolarHBondContact O-CD2 3.39Å; V350-F354 PolarHBondContact O-N 3.47Å; F354-L356 HydrophobicContact CB-CD2 3.98Å; F354-L356 HydrophobicContact CB-CG 4.33Å; F354-K392 HydrophobicContact CD1-CD 4.02Å; F354-K392 HydrophobicContact CE1-CB 3.86Å; F354-K392 HydrophobicContact CE1-CD 3.59Å; F354-K392 HydrophobicContact CE1-CG 4.35Å; F354-K392 HydrophobicContact CZ-CB 3.81Å; F354-K392 HydrophobicContact CZ-CD 3.96Å; F354-K392 HydrophobicContact CZ-CG 4.45Å; F354-L394 HydrophobicContact CE2-CD2 3.43Å; F354-L394 VanDerWaalsContact CE2-CD2 3.43Å; F354-L394 HydrophobicContact CZ-CD2 3.63Å
355D98.8Very high98.7Very high58 Ų5839.9 Ų39.931%0.3118%0.177SC..  trans-101.3115.6163-175.1-19.9000107.4R357 V360D355-R357 WeakPolarHBondContact OD1-CB 3.27Å; D355-R357 WeakPolarHBondContact OD1-CG 3.42Å; D355-R357 PolarHBondContact OD1-N 3.46Å; D355-R357 IonicContact OD1-NE 3.77Å; D355-R357 PolarHBondContact OD1-NE 3.02Å; D355-R357 IonicContact OD2-CZ 3.71Å; D355-R357 VanDerWaalsContact OD2-CZ 3.3Å; D355-R357 IonicContact OD2-NE 2.72Å; D355-R357 PolarHBondContact OD2-NE 3.46Å; D355-R357 IonicContact OD2-NH2 3.84Å; D355-R357 PolarHBondContact OD2-NH2 2.87Å; D355-V360 HydrophobicContact CB-CB 4.26Å; D355-V360 HydrophobicContact CB-CG1 3.83Å; D355-V360 HydrophobicContact CB-CG2 4.42Å
356L98.8Very high98.7Very high8 Ų839.2 Ų39.24%0.04218%0.176CC..  trans-98.416.1-173.5-57.8-179.4000112.2A298 V302 V319 Y321 P328 I331 F354 I361A298-L356 HydrophobicContact CB-CD2 4.04Å; V302-L356 HydrophobicContact CG2-CD2 4.29Å; V319-L356 HydrophobicContact CG1-CD1 3.81Å; Y321-L356 PolarHBondContact OH-O 3.34Å; P328-L356 HydrophobicContact CG-CB 3.78Å; I331-L356 HydrophobicContact CD1-CD1 3.94Å; I331-L356 HydrophobicContact CG1-CD1 4.42Å; F354-L356 HydrophobicContact CB-CD2 3.98Å; F354-L356 HydrophobicContact CB-CG 4.33Å; L356-I361 HydrophobicContact CB-CD1 4.38Å; L356-I361 VanDerWaalsContact O-CD1 3.23Å; L356-I361 WeakPolarHBondContact O-CD1 3.35Å
357R98.9Very high98.7Very high34 Ų3439.3 Ų39.313%0.12818%0.176CC..  trans-61.5136166.7-70.5-179.7-72.3162.25109.8D130 A326 H327 D355 G359 V360 I361D130-R357 IonicContact OD1-CZ 2.77Å; D130-R357 IonicContact OD1-NH1 2.99Å; D130-R357 PolarHBondContact OD1-NH1 2.93Å; A326-R357 HydrophobicContact CB-CG 4.06Å; A326-R357 WeakPolarHBondContact O-CA 3.32Å; H327-R357 VanDerWaalsContact CE1-CD 3.46Å; H327-R357 WeakPolarHBondContact CE1-CD 3.48Å; D355-R357 WeakPolarHBondContact OD1-CB 3.27Å; D355-R357 WeakPolarHBondContact OD1-CG 3.42Å; D355-R357 PolarHBondContact OD1-N 3.46Å; D355-R357 IonicContact OD1-NE 3.77Å; D355-R357 PolarHBondContact OD1-NE 3.02Å; D355-R357 IonicContact OD2-CZ 3.71Å; D355-R357 VanDerWaalsContact OD2-CZ 3.3Å; D355-R357 IonicContact OD2-NE 2.72Å; D355-R357 PolarHBondContact OD2-NE 3.46Å; D355-R357 IonicContact OD2-NH2 3.84Å; D355-R357 PolarHBondContact OD2-NH2 2.87Å; R357-G359 PolarHBondContact O-N 2.95Å; R357-G359 VanDerWaalsContact O-N 3.11Å; R357-V360 HydrophobicContact CB-CB 4.48Å; R357-V360 HydrophobicContact CB-CG2 4.24Å; R357-V360 PolarHBondContact O-N 2.73Å; R357-I361 WeakPolarHBondContact O-CG1 3.34Å; R357-I361 PolarHBondContact O-N 2.96Å
358P98.7Very high98.7Very high0 Ų039.8 Ų39.80%018%0.177CC..Hα-helixtrans-54.4-35.7-179.8-25.833.2000113.1V131 A133 V291 A326 V360 I361 V362V131-P358 HydrophobicContact CG1-CB 4.22Å; A133-P358 HydrophobicContact CB-CG 4.5Å; V291-P358 HydrophobicContact CG1-CB 4.4Å; V291-P358 HydrophobicContact CG1-CG 3.62Å; A326-P358 WeakPolarHBondContact O-CD 3.45Å; P358-V360 VanDerWaalsContact C-N 3.29Å; P358-V360 PolarHBondContact O-N 3Å; P358-I361 PolarHBondContact O-N 2.93Å; P358-V362 WeakPolarHBondContact O-CG1 3.44Å; P358-V362 PolarHBondContact O-N 2.83Å
359G98.6Very high98.7Very high0 Ų042 Ų420%018%0.184CC..Hα-helixtrans-64.9-25175.300000115.8Q128 R357 V362Q128-G359 WeakPolarHBondContact O-CA 3.34Å; R357-G359 PolarHBondContact O-N 2.95Å; R357-G359 VanDerWaalsContact O-N 3.11Å; G359-V362 WeakPolarHBondContact O-CG1 3.42Å
360V98.8Very high98.7Very high4 Ų443.6 Ų43.62%0.02420%0.195CC..Hα-helixtrans-91.9-40.5174177.50000110.6D355 R357 P358 V362 R363 E364D355-V360 HydrophobicContact CB-CB 4.26Å; D355-V360 HydrophobicContact CB-CG1 3.83Å; D355-V360 HydrophobicContact CB-CG2 4.42Å; R357-V360 HydrophobicContact CB-CB 4.48Å; R357-V360 HydrophobicContact CB-CG2 4.24Å; R357-V360 PolarHBondContact O-N 2.73Å; P358-V360 VanDerWaalsContact C-N 3.29Å; P358-V360 PolarHBondContact O-N 3Å; V360-V362 VanDerWaalsContact C-N 3.28Å; V360-V362 PolarHBondContact O-N 2.84Å; V360-R363 WeakPolarHBondContact O-CB 3.36Å; V360-R363 PolarHBondContact O-N 2.84Å; V360-E364 HydrophobicContact CG1-CG 4Å; V360-E364 WeakPolarHBondContact O-CG 3.24Å; V360-E364 PolarHBondContact O-N 3.21Å
361I98.9Very high98.6Very high4 Ų445.3 Ų45.32%0.02120%0.204CC..Hα-helixtrans-54.5-45.6175.7-67.5169.8000110.8A298 L356 R357 P358 R363 E364 L365 L367A298-I361 HydrophobicContact CB-CD1 3.7Å; A298-I361 HydrophobicContact CB-CG1 3.9Å; A298-I361 HydrophobicContact CB-CG2 3.99Å; L356-I361 HydrophobicContact CB-CD1 4.38Å; L356-I361 VanDerWaalsContact O-CD1 3.23Å; L356-I361 WeakPolarHBondContact O-CD1 3.35Å; R357-I361 WeakPolarHBondContact O-CG1 3.34Å; R357-I361 PolarHBondContact O-N 2.96Å; P358-I361 PolarHBondContact O-N 2.93Å; I361-R363 PolarHBondContact O-N 2.75Å; I361-E364 PolarHBondContact O-N 3.33Å; I361-L365 HydrophobicContact CG2-CD1 3.85Å; I361-L365 HydrophobicContact CG2-CG 4.37Å; I361-L365 WeakPolarHBondContact O-CB 3.37Å; I361-L365 PolarHBondContact O-N 2.74Å; I361-L367 HydrophobicContact CG2-CD1 3.78Å
362V98.8Very high98.7Very high4 Ų438.2 Ų38.22%0.02418%0.177CC..Hα-helixtrans-58.4-34.6179.161.90000113Y288 P358 G359 V360 D366 L367 K368Y288-V362 HydrophobicContact CD1-CB 4.29Å; Y288-V362 HydrophobicContact CD1-CG2 3.64Å; Y288-V362 HydrophobicContact CD2-CB 3.39Å; Y288-V362 HydrophobicContact CD2-CG1 3.85Å; Y288-V362 HydrophobicContact CD2-CG2 3.72Å; Y288-V362 HydrophobicContact CE1-CG2 3.95Å; Y288-V362 HydrophobicContact CE2-CB 3.71Å; Y288-V362 HydrophobicContact CE2-CG1 3.61Å; Y288-V362 HydrophobicContact CE2-CG2 4.01Å; Y288-V362 HydrophobicContact CG-CB 3.69Å; Y288-V362 HydrophobicContact CG-CG1 4.49Å; Y288-V362 HydrophobicContact CG-CG2 3.5Å; P358-V362 WeakPolarHBondContact O-CG1 3.44Å; P358-V362 PolarHBondContact O-N 2.83Å; G359-V362 WeakPolarHBondContact O-CG1 3.42Å; V360-V362 VanDerWaalsContact C-N 3.28Å; V360-V362 PolarHBondContact O-N 2.84Å; V362-D366 CarbonylContact O-C 3.52Å; V362-D366 WeakPolarHBondContact O-CA 3.2Å; V362-D366 PolarHBondContact O-N 2.91Å; V362-L367 HydrophobicContact CB-CB 4.37Å; V362-L367 HydrophobicContact CG2-CB 4.04Å; V362-L367 PolarHBondContact O-N 3.39Å; V362-K368 HydrophobicContact CG2-CD 4.3Å; V362-K368 HydrophobicContact CG2-CG 3.64Å
363R98.6Very high98.7Very high124 Ų12432.8 Ų32.847%0.46815%0.154SC..Hα-helixtrans-75.6-49177.3177.2-176.661.1-129.15.3111.2E129 V360 I361 L365 D366E129-R363 IonicContact OE1-CZ 2.81Å; E129-R363 IonicContact OE1-NH1 2.81Å; E129-R363 PolarHBondContact OE1-NH1 3.36Å; E129-R363 IonicContact OE1-NH2 2.71Å; V360-R363 WeakPolarHBondContact O-CB 3.36Å; V360-R363 PolarHBondContact O-N 2.84Å; I361-R363 PolarHBondContact O-N 2.75Å; R363-L365 VanDerWaalsContact C-N 3.28Å; R363-L365 PolarHBondContact O-N 3.13Å; R363-D366 PolarHBondContact O-N 3.24Å
364E98.6Very high98.7Very high81 Ų8139 Ų3938%0.37918%0.18SC..Hα-helixtrans-65.9-33.1-176.1-63.9-76.8127.200112W301 V360 I361 K392W301-E364 HydrophobicContact CH2-CB 3.99Å; W301-E364 HydrophobicContact CH2-CG 4.38Å; W301-E364 HydrophobicContact CZ3-CB 4.1Å; V360-E364 HydrophobicContact CG1-CG 4Å; V360-E364 WeakPolarHBondContact O-CG 3.24Å; V360-E364 PolarHBondContact O-N 3.21Å; I361-E364 PolarHBondContact O-N 3.33Å; E364-K392 IonicContact OE2-NZ 3.8Å; E364-K392 PolarHBondContact OE2-NZ 3.11Å
365L98.8Very high98.6Very high1 Ų138.3 Ų38.31%0.00518%0.178CC..THydrogen-bonded Turntrans-108.95.9-177.4-57-175.8000113.7A298 W301 I361 R363 L367 P387 W388A298-L365 HydrophobicContact CB-CD1 4.31Å; W301-L365 HydrophobicContact CD2-CD2 3.91Å; W301-L365 HydrophobicContact CE3-CD2 4Å; W301-L365 HydrophobicContact CG-CD2 4.19Å; W301-L365 HydrophobicContact CZ3-CD2 4.41Å; I361-L365 HydrophobicContact CG2-CD1 3.85Å; I361-L365 HydrophobicContact CG2-CG 4.37Å; I361-L365 WeakPolarHBondContact O-CB 3.37Å; I361-L365 PolarHBondContact O-N 2.74Å; R363-L365 VanDerWaalsContact C-N 3.28Å; R363-L365 PolarHBondContact O-N 3.13Å; L365-L367 VanDerWaalsContact C-N 3.32Å; L365-L367 HydrophobicContact CB-CD1 4.24Å; L365-L367 HydrophobicContact CB-CD2 3.83Å; L365-L367 HydrophobicContact CB-CG 3.77Å; L365-L367 WeakPolarHBondContact O-CD2 3.49Å; L365-L367 PolarHBondContact O-N 3.14Å; L365-P387 HydrophobicContact CB-CB 4.32Å; L365-P387 HydrophobicContact CD2-CB 4.16Å; L365-P387 WeakPolarHBondContact O-CG 3.41Å; L365-W388 HydrophobicContact CD1-CB 4.18Å; L365-W388 HydrophobicContact CD2-CB 4.23Å
366D98.4Very high98.6Very high63 Ų6335.6 Ų35.634%0.33716%0.163SC..THydrogen-bonded Turntrans54.143.4175.2-152.1-5.1000114V362 R363 K368 K369V362-D366 CarbonylContact O-C 3.52Å; V362-D366 WeakPolarHBondContact O-CA 3.2Å; V362-D366 PolarHBondContact O-N 2.91Å; R363-D366 PolarHBondContact O-N 3.24Å; D366-K368 PolarHBondContact O-N 3.48Å; D366-K369 HydrophobicContact CB-CD 4.32Å; D366-K369 WeakPolarHBondContact O-CB 3.08Å; D366-K369 PolarHBondContact O-N 3Å; D366-K369 VanDerWaalsContact O-N 3.11Å; D366-K369 WeakPolarHBondContact OD2-CD 3.48Å; D366-K369 WeakPolarHBondContact OD2-CE 3.31Å; D366-K369 IonicContact OD2-NZ 3.85Å; D366-K369 PolarHBondContact OD2-NZ 2.81Å
367L98.8Very high98.6Very high2 Ų235.5 Ų35.51%0.0116%0.164CC..THydrogen-bonded Turntrans-80.723.4-170.4-56.4-178.2000114.1Y297 I361 V362 L365 Y372 W388Y297-L367 HydrophobicContact CD2-CD2 4.01Å; Y297-L367 HydrophobicContact CE2-CD2 4.45Å; I361-L367 HydrophobicContact CG2-CD1 3.78Å; V362-L367 HydrophobicContact CB-CB 4.37Å; V362-L367 HydrophobicContact CG2-CB 4.04Å; V362-L367 PolarHBondContact O-N 3.39Å; L365-L367 VanDerWaalsContact C-N 3.32Å; L365-L367 HydrophobicContact CB-CD1 4.24Å; L365-L367 HydrophobicContact CB-CD2 3.83Å; L365-L367 HydrophobicContact CB-CG 3.77Å; L365-L367 WeakPolarHBondContact O-CD2 3.49Å; L365-L367 PolarHBondContact O-N 3.14Å; L367-Y372 WeakPolarHBondContact CA-OH 3.22Å; L367-Y372 VanDerWaalsContact CB-OH 3.28Å; L367-Y372 WeakPolarHBondContact CB-OH 3.21Å; L367-Y372 PolarHBondContact O-OH 3.01Å; L367-W388 HydrophobicContact CD2-CE3 4.2Å; L367-W388 HydrophobicContact CD2-CZ3 3.88Å
368K98.7Very high98.6Very high36 Ų3635.8 Ų35.816%0.15717%0.165CC..THydrogen-bonded Turntrans-107.2-4.9163.5-60.8-176.8-178.3-173.70111.4P51 D52 Y288 V362 D366P51-K368 HydrophobicContact CB-CB 4.12Å; P51-K368 HydrophobicContact CB-CD 4.1Å; P51-K368 VanDerWaalsContact O-CD 3.3Å; P51-K368 WeakPolarHBondContact O-CD 3.44Å; P51-K368 WeakPolarHBondContact O-CG 3.33Å; D52-K368 WeakPolarHBondContact OD1-CE 3.27Å; D52-K368 IonicContact OD1-NZ 2.68Å; D52-K368 PolarHBondContact OD1-NZ 2.95Å; D52-K368 IonicContact OD2-NZ 3.68Å; Y288-K368 HydrophobicContact CD1-CG 4.23Å; Y288-K368 HydrophobicContact CE1-CG 4.32Å; V362-K368 HydrophobicContact CG2-CD 4.3Å; V362-K368 HydrophobicContact CG2-CG 3.64Å; D366-K368 PolarHBondContact O-N 3.48Å
369K98.5Very high98.6Very high104 Ų10435.8 Ų35.845%0.45217%0.165SC..SBendtrans-71.1136.4177.3-80.2-173.6169.5159.80111.3D366 I371 Y372D366-K369 HydrophobicContact CB-CD 4.32Å; D366-K369 WeakPolarHBondContact O-CB 3.08Å; D366-K369 PolarHBondContact O-N 3Å; D366-K369 VanDerWaalsContact O-N 3.11Å; D366-K369 WeakPolarHBondContact OD2-CD 3.48Å; D366-K369 WeakPolarHBondContact OD2-CE 3.31Å; D366-K369 IonicContact OD2-NZ 3.85Å; D366-K369 PolarHBondContact OD2-NZ 2.81Å; K369-I371 VanDerWaalsContact C-N 3.26Å; K369-I371 HydrophobicContact CB-CG1 4.4Å; K369-I371 HydrophobicContact CB-CG2 4.17Å; K369-I371 PolarHBondContact O-N 3.18Å; K369-Y372 WeakPolarHBondContact O-CE2 3.13Å
370P98.5Very high98.6Very high47 Ų4735.8 Ų35.831%0.30517%0.165SC..SBendtrans-78.575.2177.732.9-36.1000110.9D44 L47 K48D44-P370 HydrophobicContact CB-CB 3.94Å; D44-P370 VanDerWaalsContact CG-C 3.49Å; D44-P370 WeakPolarHBondContact O-CB 3.44Å; D44-P370 WeakPolarHBondContact OD1-CA 3.46Å; L47-P370 HydrophobicContact CB-CB 4.21Å; K48-P370 HydrophobicContact CD-CB 4.46Å; K48-P370 HydrophobicContact CG-CB 3.7Å; K48-P370 HydrophobicContact CG-CG 3.61Å
371I98.3Very high98.6Very high37 Ų3735.7 Ų35.719%0.1916%0.164CC..  trans-122.33.3-179.261.1172.4000113D44 K369 Q373 K374 F386D44-I371 PolarHBondContact OD1-N 2.68Å; D44-I371 VanDerWaalsContact OD1-N 3.08Å; K369-I371 VanDerWaalsContact C-N 3.26Å; K369-I371 HydrophobicContact CB-CG1 4.4Å; K369-I371 HydrophobicContact CB-CG2 4.17Å; K369-I371 PolarHBondContact O-N 3.18Å; I371-Q373 PolarHBondContact O-N 3.03Å; I371-K374 WeakPolarHBondContact O-CB 3.29Å; I371-K374 PolarHBondContact O-N 3Å; I371-F386 HydrophobicContact CD1-CD1 4.21Å
372Y98.8Very high98.5Very high1 Ų135.8 Ų35.80%0.00417%0.166CC..G310 helixtrans-71.7-33.5-166.1-66.5-78000113L43 D44 L47 Y297 L367 K369 K374 T375 A376L43-Y372 HydrophobicContact CD2-CD1 4.05Å; L43-Y372 HydrophobicContact CD2-CD2 3.46Å; L43-Y372 VanDerWaalsContact CD2-CD2 3.46Å; L43-Y372 HydrophobicContact CD2-CE2 4.01Å; L43-Y372 HydrophobicContact CD2-CG 3.48Å; L43-Y372 VanDerWaalsContact CD2-CG 3.48Å; L43-Y372 HydrophobicContact CG-CD2 3.86Å; L43-Y372 HydrophobicContact CG-CE2 4.42Å; L43-Y372 HydrophobicContact CG-CG 4.29Å; D44-Y372 WeakPolarHBondContact OD1-CB 3.38Å; D44-Y372 VanDerWaalsContact OD1-CD2 3.3Å; D44-Y372 WeakPolarHBondContact OD1-CD2 3.43Å; D44-Y372 PolarHBondContact OD1-N 3.4Å; D44-Y372 PolarHBondContact OD2-N 3.46Å; D44-Y372 VanDerWaalsContact OD2-N 3.15Å; L47-Y372 HydrophobicContact CD1-CD2 3.73Å; L47-Y372 HydrophobicContact CD1-CE2 3.34Å; Y297-Y372 HydrophobicContact CE2-CE1 4.37Å; L367-Y372 WeakPolarHBondContact CA-OH 3.22Å; L367-Y372 VanDerWaalsContact CB-OH 3.28Å; L367-Y372 WeakPolarHBondContact CB-OH 3.21Å; L367-Y372 PolarHBondContact O-OH 3.01Å; K369-Y372 WeakPolarHBondContact O-CE2 3.13Å; Y372-K374 PolarHBondContact O-N 3.31Å; Y372-K374 VanDerWaalsContact O-N 3.12Å; Y372-T375 WeakPolarHBondContact O-CA 3.35Å; Y372-T375 WeakPolarHBondContact O-CB 3.46Å; Y372-T375 PolarHBondContact O-N 3.23Å; Y372-T375 PolarHBondContact O-OG1 2.96Å; Y372-A376 PolarHBondContact O-N 3.38Å
373Q98.7Very high98.3Very high49 Ų4938.7 Ų38.723%0.22918%0.177CC..G310 helixtrans-58.7-32.3178.1-168.9-17313.500111.5A41 D44 I371 T375 A376A41-Q373 HydrophobicContact CB-CG 4.18Å; D44-Q373 WeakPolarHBondContact OD2-CB 3.44Å; D44-Q373 PolarHBondContact OD2-N 2.92Å; I371-Q373 PolarHBondContact O-N 3.03Å; Q373-T375 PolarHBondContact O-N 3.33Å; Q373-A376 PolarHBondContact O-N 2.97Å
374K98.2Very high97.6Very high148 Ų14838.9 Ų38.964%0.64319%0.187SC*.G310 helixtrans-69.1-18175.5-61-177.2179.7179.80113.2I371 Y372 R383 F386I371-K374 WeakPolarHBondContact O-CB 3.29Å; I371-K374 PolarHBondContact O-N 3Å; Y372-K374 PolarHBondContact O-N 3.31Å; Y372-K374 VanDerWaalsContact O-N 3.12Å; K374-R383 PolarHBondContact O-NH1 2.97Å; K374-R383 PolarHBondContact O-NH2 3.34Å; K374-F386 HydrophobicContact CB-CE1 4.37Å; K374-F386 HydrophobicContact CB-CZ 4.25Å
375T98.7Very high97Very high0 Ų039.8 Ų39.80%020%0.203CC..THydrogen-bonded Turntrans-84.7-29.9178.674.40000112.3D40 Y372 Q373 A377 H380 F386 W388D40-T375 PolarHBondContact OD2-OG1 3.19Å; Y372-T375 WeakPolarHBondContact O-CA 3.35Å; Y372-T375 WeakPolarHBondContact O-CB 3.46Å; Y372-T375 PolarHBondContact O-N 3.23Å; Y372-T375 PolarHBondContact O-OG1 2.96Å; Q373-T375 PolarHBondContact O-N 3.33Å; T375-A377 PolarHBondContact O-N 3.1Å; T375-A377 VanDerWaalsContact O-N 3.08Å; T375-H380 WeakPolarHBondContact CB-ND1 3.48Å; T375-H380 PolarHBondContact O-CD2 3.45Å; T375-H380 PolarHBondContact O-NE2 3.09Å; T375-H380 PolarHBondContact OG1-CE1 3.49Å; T375-H380 PolarHBondContact OG1-ND1 3.11Å; T375-F386 HydrophobicContact CG2-CD1 4.23Å; T375-F386 HydrophobicContact CG2-CE1 3.62Å; T375-F386 HydrophobicContact CG2-CE2 4.45Å; T375-F386 HydrophobicContact CG2-CZ 3.75Å; T375-W388 HydrophobicContact CG2-CH2 3.89Å; T375-W388 HydrophobicContact CG2-CZ2 3.96Å
376A98.6Very high96.9Very high0 Ų040 Ų400%020%0.203CC..SBendtrans-71-4.9-167.100000116.2K33 D36 Q37 D40 Y372 Q373K33-A376 VanDerWaalsContact CD-O 3.31Å; K33-A376 WeakPolarHBondContact CD-O 3.25Å; K33-A376 VanDerWaalsContact CE-O 3.27Å; K33-A376 WeakPolarHBondContact CE-O 3.14Å; K33-A376 PolarHBondContact NZ-O 3.06Å; D36-A376 HydrophobicContact CB-CB 4.19Å; Q37-A376 HydrophobicContact CB-CB 4.3Å; Q37-A376 HydrophobicContact CG-CB 3.76Å; D40-A376 HydrophobicContact CB-CB 4.25Å; Y372-A376 PolarHBondContact O-N 3.38Å; Q373-A376 PolarHBondContact O-N 2.97Å
377A98.4Very high96.9Very high7 Ų738.9 Ų38.96%0.05820%0.2CC..SBendtrans-136.9151.9171.500000110.4E28 Q37 T375 G379E28-A377 HydrophobicContact CG-CB 4.07Å; Q37-A377 HydrophobicContact CG-CB 4.43Å; T375-A377 PolarHBondContact O-N 3.1Å; T375-A377 VanDerWaalsContact O-N 3.08Å; A377-G379 VanDerWaalsContact C-N 3.31Å; A377-G379 PolarHBondContact O-N 2.93Å
378Y98.6Very high96.9Very high39 Ų3938.8 Ų38.815%0.15320%0.199CC..SBendtrans63.930.3179.2-45.5-61.9000115.1E28 H159 N162 A163 A166E28-Y378 HydrophobicContact CG-CE2 3.7Å; E28-Y378 WeakPolarHBondContact CG-OH 3.19Å; E28-Y378 PolarHBondContact OE1-OH 2.71Å; H159-Y378 PolarHBondContact CD2-O 3.45Å; N162-Y378 HydrophobicContact CB-CD1 4.37Å; N162-Y378 HydrophobicContact CB-CE1 3.82Å; A163-Y378 HydrophobicContact CB-CD1 4.22Å; A163-Y378 HydrophobicContact CB-CE1 3.97Å; A166-Y378 WeakPolarHBondContact CB-OH 3.43Å
379G98.3Very high96.9Very high1 Ų137.3 Ų37.31%0.0119%0.193CC..  trans80.9143.9175.400000113.3H159 A377 F381 R383H159-G379 WeakPolarHBondContact NE2-CA 3.38Å; A377-G379 VanDerWaalsContact C-N 3.31Å; A377-G379 PolarHBondContact O-N 2.93Å; G379-F381 VanDerWaalsContact C-N 3.29Å; G379-R383 VanDerWaalsContact O-CZ 3.3Å; G379-R383 PolarHBondContact O-NE 3.16Å; G379-R383 PolarHBondContact O-NH2 3.44Å
380H98.8Very high96.9Very high0 Ų036.6 Ų36.60%020%0.197CC..SBendtrans-79.1-17.4177.7-71.4-114.3000112.3D270 F283 Y297 T375 W388D270-H380 PolarHBondContact O-N 3.5Å; D270-H380 IonicContact OD1-CD2 3.42Å; D270-H380 PolarHBondContact OD1-CD2 3.47Å; D270-H380 IonicContact OD1-NE2 3.57Å; F283-H380 HydrophobicContact CD2-CB 4.37Å; F283-H380 AromaticContact CD2-CD2 3.71Å; F283-H380 AromaticContact CD2-CE1 3.73Å; F283-H380 AromaticContact CD2-CG 3.64Å; F283-H380 AromaticContact CD2-ND1 3.64Å; F283-H380 AromaticContact CD2-NE2 3.75Å; F283-H380 HydrophobicContact CE2-CB 4.42Å; Y297-H380 HydrophobicContact CE1-CB 4.05Å; Y297-H380 AromaticContact CE1-ND1 3.63Å; Y297-H380 AromaticContact CZ-ND1 3.57Å; Y297-H380 PolarHBondContact OH-CE1 3.1Å; Y297-H380 PolarHBondContact OH-ND1 3.09Å; T375-H380 WeakPolarHBondContact CB-ND1 3.48Å; T375-H380 PolarHBondContact O-CD2 3.45Å; T375-H380 PolarHBondContact O-NE2 3.09Å; T375-H380 PolarHBondContact OG1-CE1 3.49Å; T375-H380 PolarHBondContact OG1-ND1 3.11Å; H380-W388 PolarHBondContact O-NE1 3.16Å
381F98.8Very high96.9Very high1 Ų137 Ų370%0.00420%0.199CC..SBendtrans-120.9160.7-170.8-53-40.6000112.5M151 T271 Y272 F283 Y297 R300 G379 W388 E389M151-F381 HydrophobicContact CE-CB 3.99Å; M151-F381 HydrophobicContact SD-CB 3.84Å; T271-F381 HydrophobicContact CG2-CE2 3.86Å; Y272-F381 HydrophobicContact CD1-CD2 4.12Å; Y272-F381 AromaticContact CE1-CD2 3.37Å; Y272-F381 HydrophobicContact CE1-CD2 3.37Å; Y272-F381 AromaticContact CE1-CE2 3.81Å; Y272-F381 HydrophobicContact CE1-CE2 3.81Å; Y272-F381 HydrophobicContact CE1-CG 4.27Å; Y272-F381 HydrophobicContact CE2-CE2 4.24Å; Y272-F381 AromaticContact CZ-CD2 3.62Å; Y272-F381 AromaticContact CZ-CE2 3.51Å; Y272-F381 VanDerWaalsContact OH-CE2 3.25Å; Y272-F381 WeakPolarHBondContact OH-CE2 3.36Å; F283-F381 HydrophobicContact CE2-CZ 4.48Å; F283-F381 HydrophobicContact CZ-CZ 4.48Å; Y297-F381 AromaticContact CD1-CE1 3.57Å; Y297-F381 HydrophobicContact CD1-CE1 3.57Å; Y297-F381 AromaticContact CD1-CZ 3.96Å; Y297-F381 HydrophobicContact CD1-CZ 3.96Å; Y297-F381 HydrophobicContact CE1-CE1 4.06Å; Y297-F381 HydrophobicContact CE1-CZ 4.42Å; Y297-F381 HydrophobicContact CG-CE1 4.44Å; R300-F381 HydrophobicContact CB-CD1 3.96Å; R300-F381 HydrophobicContact CB-CE1 3.72Å; R300-F381 HydrophobicContact CB-CE2 4.39Å; R300-F381 HydrophobicContact CB-CG 4.4Å; R300-F381 HydrophobicContact CB-CZ 3.95Å; R300-F381 HydrophobicContact CG-CB 4.35Å; R300-F381 HydrophobicContact CG-CD1 3.53Å; R300-F381 HydrophobicContact CG-CD2 4.43Å; R300-F381 HydrophobicContact CG-CE1 3.85Å; R300-F381 HydrophobicContact CG-CG 3.86Å; R300-F381 HydrophobicContact CG-CZ 4.42Å; G379-F381 VanDerWaalsContact C-N 3.29Å; F381-W388 AromaticContact CD1-CD1 3.69Å; F381-W388 AromaticContact CD1-NE1 3.57Å; F381-W388 AromaticContact CE1-CD1 3.97Å; F381-W388 AromaticContact CE1-NE1 3.92Å; F381-E389 VanDerWaalsContact CA-OE1 3.27Å; F381-E389 WeakPolarHBondContact CA-OE1 3.47Å; F381-E389 WeakPolarHBondContact CB-OE1 3.44Å
382G97.5Very high96.9Very high6 Ų638 Ų386%0.06220%0.203CC..SBendtrans76.119.4178.300000115.4E389G382-E389 PolarHBondContact N-OE1 3.13Å; G382-E389 PolarHBondContact N-OE2 2.86Å
383R94.5Very high96.9Very high66 Ų6647.4 Ų47.425%0.24924%0.243CC..  trans-125.6124177.5-61.7-173.1-68.1135-8.6110.1K374 G379 S385 F386 E389K374-R383 PolarHBondContact O-NH1 2.97Å; K374-R383 PolarHBondContact O-NH2 3.34Å; G379-R383 VanDerWaalsContact O-CZ 3.3Å; G379-R383 PolarHBondContact O-NE 3.16Å; G379-R383 PolarHBondContact O-NH2 3.44Å; R383-S385 PolarHBondContact O-N 3.38Å; R383-F386 HydrophobicContact CB-CD2 4.3Å; R383-F386 HydrophobicContact CB-CE2 4.09Å; R383-E389 WeakPolarHBondContact O-CG 3.36Å
384D82.4Confident96.9Very high128 Ų12845.9 Ų45.968%0.68424%0.237SC*.THydrogen-bonded Turntrans-65.6-4-168.8-62.1-33.3000115.8F386D384-F386 PolarHBondContact O-N 3.44Å
385S86.5Confident96.9Very high100 Ų10047 Ų4770%0.69924%0.241SC*.THydrogen-bonded Turntrans-78.40.6-177-57.50000114.6R383R383-S385 PolarHBondContact O-N 3.38Å
386F97.9Very high96.7Very high5 Ų554.6 Ų54.62%0.02227%0.271CS..SBendtrans-124.2143.9-170.2-55-62.7000114.4I371 K374 T375 R383 D384 W388 E389I371-F386 HydrophobicContact CD1-CD1 4.21Å; K374-F386 HydrophobicContact CB-CE1 4.37Å; K374-F386 HydrophobicContact CB-CZ 4.25Å; T375-F386 HydrophobicContact CG2-CD1 4.23Å; T375-F386 HydrophobicContact CG2-CE1 3.62Å; T375-F386 HydrophobicContact CG2-CE2 4.45Å; T375-F386 HydrophobicContact CG2-CZ 3.75Å; R383-F386 HydrophobicContact CB-CD2 4.3Å; R383-F386 HydrophobicContact CB-CE2 4.09Å; D384-F386 PolarHBondContact O-N 3.44Å; F386-W388 VanDerWaalsContact C-N 3.32Å; F386-W388 HydrophobicContact CB-CD2 3.77Å; F386-W388 VanDerWaalsContact CB-CE2 3.41Å; F386-W388 HydrophobicContact CB-CE3 4.09Å; F386-W388 HydrophobicContact CB-CG 4.42Å; F386-W388 HydrophobicContact CB-CH2 3.77Å; F386-W388 HydrophobicContact CB-CZ2 3.43Å; F386-W388 VanDerWaalsContact CB-CZ2 3.43Å; F386-W388 HydrophobicContact CB-CZ3 4.08Å; F386-W388 AromaticContact CD1-CH2 3.64Å; F386-W388 HydrophobicContact CD1-CH2 3.64Å; F386-W388 AromaticContact CD1-CZ2 3.7Å; F386-W388 HydrophobicContact CD1-CZ2 3.7Å; F386-W388 HydrophobicContact CD1-CZ3 4.46Å; F386-W388 AromaticContact CD2-CZ2 3.81Å; F386-W388 HydrophobicContact CD2-CZ2 3.81Å; F386-W388 HydrophobicContact CE1-CH2 4.4Å; F386-W388 HydrophobicContact CE1-CZ2 4.42Å; F386-W388 HydrophobicContact CE2-CZ2 4.5Å; F386-W388 AromaticContact CG-CE2 3.82Å; F386-W388 AromaticContact CG-CH2 3.74Å; F386-W388 HydrophobicContact CG-CH2 3.74Å; F386-W388 AromaticContact CG-CZ2 3.36Å; F386-W388 HydrophobicContact CG-CZ2 3.36Å; F386-W388 PolarHBondContact O-N 3.46Å; F386-E389 HydrophobicContact CB-CG 4.46Å; F386-E389 WeakPolarHBondContact O-CB 3.31Å; F386-E389 PolarHBondContact O-N 2.86Å
387P98.4Very high96.6Very high40 Ų4057.4 Ų57.426%0.2629%0.285SS..G310 helixtrans-58.1-37.4-178.1-29.238.6000114.6L365 E389 V390L365-P387 HydrophobicContact CB-CB 4.32Å; L365-P387 HydrophobicContact CD2-CB 4.16Å; L365-P387 WeakPolarHBondContact O-CG 3.41Å; P387-E389 PolarHBondContact O-N 3.01Å; P387-V390 PolarHBondContact O-N 2.76Å; P387-V390 VanDerWaalsContact O-N 3.12Å
388W98.8Very high96.5Very high0 Ų060 Ų600%030%0.297CS..G310 helixtrans-69.6-12.8178.75487.9000113.8Y297 W301 L365 L367 T375 H380 F381 F386Y297-W388 AromaticContact CD2-CD2 3.72Å; Y297-W388 HydrophobicContact CD2-CD2 3.72Å; Y297-W388 AromaticContact CD2-CE2 4Å; Y297-W388 AromaticContact CD2-CE3 3.4Å; Y297-W388 HydrophobicContact CD2-CE3 3.4Å; Y297-W388 VanDerWaalsContact CD2-CE3 3.4Å; Y297-W388 AromaticContact CD2-CH2 3.73Å; Y297-W388 HydrophobicContact CD2-CH2 3.73Å; Y297-W388 HydrophobicContact CD2-CZ2 4.01Å; Y297-W388 AromaticContact CD2-CZ3 3.41Å; Y297-W388 HydrophobicContact CD2-CZ3 3.41Å; Y297-W388 VanDerWaalsContact CD2-CZ3 3.41Å; Y297-W388 HydrophobicContact CE1-CZ2 4.46Å; Y297-W388 HydrophobicContact CE2-CD2 4.26Å; Y297-W388 AromaticContact CE2-CE3 3.93Å; Y297-W388 HydrophobicContact CE2-CE3 3.93Å; Y297-W388 AromaticContact CE2-CH2 3.31Å; Y297-W388 HydrophobicContact CE2-CH2 3.31Å; Y297-W388 AromaticContact CE2-CZ2 3.67Å; Y297-W388 HydrophobicContact CE2-CZ2 3.67Å; Y297-W388 AromaticContact CE2-CZ3 3.46Å; Y297-W388 HydrophobicContact CE2-CZ3 3.46Å; Y297-W388 VanDerWaalsContact CE2-CZ3 3.46Å; Y297-W388 AromaticContact CG-CD2 3.92Å; Y297-W388 HydrophobicContact CG-CD2 3.92Å; Y297-W388 HydrophobicContact CG-CE3 4.03Å; Y297-W388 HydrophobicContact CG-CG 4.34Å; Y297-W388 HydrophobicContact CG-CZ3 4.41Å; Y297-W388 AromaticContact CZ-CH2 3.96Å; Y297-W388 AromaticContact CZ-CZ2 3.91Å; Y297-W388 WeakPolarHBondContact O-CB 3.22Å; W301-W388 WeakPolarHBondContact CA-O 3.36Å; W301-W388 HydrophobicContact CB-CB 4.04Å; L365-W388 HydrophobicContact CD1-CB 4.18Å; L365-W388 HydrophobicContact CD2-CB 4.23Å; L367-W388 HydrophobicContact CD2-CE3 4.2Å; L367-W388 HydrophobicContact CD2-CZ3 3.88Å; T375-W388 HydrophobicContact CG2-CH2 3.89Å; T375-W388 HydrophobicContact CG2-CZ2 3.96Å; H380-W388 PolarHBondContact O-NE1 3.16Å; F381-W388 AromaticContact CD1-CD1 3.69Å; F381-W388 AromaticContact CD1-NE1 3.57Å; F381-W388 AromaticContact CE1-CD1 3.97Å; F381-W388 AromaticContact CE1-NE1 3.92Å; F386-W388 VanDerWaalsContact C-N 3.32Å; F386-W388 HydrophobicContact CB-CD2 3.77Å; F386-W388 VanDerWaalsContact CB-CE2 3.41Å; F386-W388 HydrophobicContact CB-CE3 4.09Å; F386-W388 HydrophobicContact CB-CG 4.42Å; F386-W388 HydrophobicContact CB-CH2 3.77Å; F386-W388 HydrophobicContact CB-CZ2 3.43Å; F386-W388 VanDerWaalsContact CB-CZ2 3.43Å; F386-W388 HydrophobicContact CB-CZ3 4.08Å; F386-W388 AromaticContact CD1-CH2 3.64Å; F386-W388 HydrophobicContact CD1-CH2 3.64Å; F386-W388 AromaticContact CD1-CZ2 3.7Å; F386-W388 HydrophobicContact CD1-CZ2 3.7Å; F386-W388 HydrophobicContact CD1-CZ3 4.46Å; F386-W388 AromaticContact CD2-CZ2 3.81Å; F386-W388 HydrophobicContact CD2-CZ2 3.81Å; F386-W388 HydrophobicContact CE1-CH2 4.4Å; F386-W388 HydrophobicContact CE1-CZ2 4.42Å; F386-W388 HydrophobicContact CE2-CZ2 4.5Å; F386-W388 AromaticContact CG-CE2 3.82Å; F386-W388 AromaticContact CG-CH2 3.74Å; F386-W388 HydrophobicContact CG-CH2 3.74Å; F386-W388 AromaticContact CG-CZ2 3.36Å; F386-W388 HydrophobicContact CG-CZ2 3.36Å; F386-W388 PolarHBondContact O-N 3.46Å
389E98.8Very high96.3Very high4 Ų461.2 Ų61.22%0.01931%0.305CS..G310 helixtrans-91-7.5175-66.7-62.8144.200112.8R300 K304 F381 G382 R383 F386 P387 P391R300-E389 IonicContact CZ-OE1 3.59Å; R300-E389 IonicContact CZ-OE2 3.76Å; R300-E389 IonicContact NE-OE1 2.71Å; R300-E389 PolarHBondContact NE-OE1 3Å; R300-E389 IonicContact NE-OE2 3.27Å; R300-E389 IonicContact NH2-OE1 3.1Å; R300-E389 PolarHBondContact NH2-OE1 3.35Å; R300-E389 IonicContact NH2-OE2 2.71Å; R300-E389 PolarHBondContact NH2-OE2 3.17Å; K304-E389 WeakPolarHBondContact CD-O 3.23Å; K304-E389 WeakPolarHBondContact CD-OE2 3.26Å; K304-E389 WeakPolarHBondContact CE-O 3.49Å; K304-E389 WeakPolarHBondContact CE-OE2 3.49Å; K304-E389 PolarHBondContact NZ-O 2.86Å; K304-E389 IonicContact NZ-OE2 3.98Å; K304-E389 PolarHBondContact NZ-OE2 2.66Å; F381-E389 VanDerWaalsContact CA-OE1 3.27Å; F381-E389 WeakPolarHBondContact CA-OE1 3.47Å; F381-E389 WeakPolarHBondContact CB-OE1 3.44Å; G382-E389 PolarHBondContact N-OE1 3.13Å; G382-E389 PolarHBondContact N-OE2 2.86Å; R383-E389 WeakPolarHBondContact O-CG 3.36Å; F386-E389 HydrophobicContact CB-CG 4.46Å; F386-E389 WeakPolarHBondContact O-CB 3.31Å; F386-E389 PolarHBondContact O-N 2.86Å; P387-E389 PolarHBondContact O-N 3.01Å; E389-P391 WeakPolarHBondContact O-CD 3.18Å
390V98.6Very high96.2Very high90 Ų9064.7 Ų64.755%0.54532%0.322SS..SBendtrans-90.2107.1174.7-1770000109.1W301 P387 K392W301-V390 PolarHBondContact NE1-O 3Å; P387-V390 PolarHBondContact O-N 2.76Å; P387-V390 VanDerWaalsContact O-N 3.12Å; V390-K392 PolarHBondContact O-N 3.02Å
391P98.3Very high96.1Very high55 Ų5568.8 Ų68.836%0.35734%0.342SS..  trans-62.6136.6-174.527-35.4000111.7K308 E389K308-P391 HydrophobicContact CB-CB 3.85Å; K308-P391 HydrophobicContact CB-CG 4.05Å; K308-P391 HydrophobicContact CG-CB 4.15Å; K308-P391 HydrophobicContact CG-CG 4.1Å; E389-P391 WeakPolarHBondContact O-CD 3.18Å
392K98.6Very high95.9Very high59 Ų5973.3 Ų73.326%0.25737%0.365SS..  trans-73.5133172.7-164173.2-166.3157.80109.4W301 S305 N353 F354 E364 V390 L394W301-K392 HydrophobicContact CH2-CB 4.42Å; W301-K392 HydrophobicContact CH2-CD 3.65Å; W301-K392 HydrophobicContact CH2-CG 4.35Å; W301-K392 HydrophobicContact CZ2-CB 3.62Å; W301-K392 HydrophobicContact CZ2-CD 3.69Å; W301-K392 HydrophobicContact CZ2-CG 3.87Å; W301-K392 HydrophobicContact CZ3-CD 4.48Å; S305-K392 PolarHBondContact OG-N 2.92Å; N353-K392 VanDerWaalsContact O-CE 3.25Å; N353-K392 WeakPolarHBondContact O-CE 3.46Å; N353-K392 PolarHBondContact O-NZ 3.15Å; F354-K392 HydrophobicContact CD1-CD 4.02Å; F354-K392 HydrophobicContact CE1-CB 3.86Å; F354-K392 HydrophobicContact CE1-CD 3.59Å; F354-K392 HydrophobicContact CE1-CG 4.35Å; F354-K392 HydrophobicContact CZ-CB 3.81Å; F354-K392 HydrophobicContact CZ-CD 3.96Å; F354-K392 HydrophobicContact CZ-CG 4.45Å; E364-K392 IonicContact OE2-NZ 3.8Å; E364-K392 PolarHBondContact OE2-NZ 3.11Å; V390-K392 PolarHBondContact O-N 3.02Å; K392-L394 HydrophobicContact CB-CD2 4.36Å; K392-L394 PolarHBondContact O-N 3.36Å
393K98.5Very high95.8Very high197 Ų19778.1 Ų78.186%0.85739%0.387SS*.  trans-67.7114.8169-173.5174.8-177.2175.50109.5
394L98.6Very high95.9Very high18 Ų1879 Ų799%0.09440%0.397CS..  trans-86.1147.1-176.6-53.4-178.4000111.7L306 A309 L311 I349 N353 F354 K392 Y396L306-L394 HydrophobicContact CD2-CD1 3.82Å; A309-L394 HydrophobicContact CB-CD1 3.95Å; A309-L394 HydrophobicContact CB-CG 4.42Å; L311-L394 HydrophobicContact CD1-CD1 3.85Å; I349-L394 HydrophobicContact CG2-CB 4.47Å; I349-L394 HydrophobicContact CG2-CD1 4.25Å; N353-L394 HydrophobicContact CB-CD2 3.95Å; F354-L394 HydrophobicContact CE2-CD2 3.43Å; F354-L394 VanDerWaalsContact CE2-CD2 3.43Å; F354-L394 HydrophobicContact CZ-CD2 3.63Å; K392-L394 HydrophobicContact CB-CD2 4.36Å; K392-L394 PolarHBondContact O-N 3.36Å; L394-Y396 HydrophobicContact CB-CD1 3.76Å; L394-Y396 HydrophobicContact CB-CE1 3.88Å
395K97.1Very high97Very high170 Ų17074.9 Ų74.974%0.73937%0.373SS*.  trans-109.4120.9171-60.1177.7-177.5177.10108.9N353N353-K395 PolarHBondContact ND2-O 3.3Å; N353-K395 PolarHBondContact OD1-N 3.28Å
396Y94Very high97.9Very high161 Ų16172.6 Ų72.663%0.63134%0.344SS*.  trans-156.30-177.855.1-94.3000113.8A309 L311 I349 L394A309-Y396 HydrophobicContact CB-CE1 4.46Å; A309-Y396 PolarHBondContact O-OH 3.22Å; L311-Y396 HydrophobicContact CD1-CD1 4.11Å; L311-Y396 HydrophobicContact CD1-CE1 3.87Å; L311-Y396 HydrophobicContact CD2-CD2 4.13Å; L311-Y396 HydrophobicContact CD2-CE1 4.12Å; L311-Y396 HydrophobicContact CD2-CE2 3.58Å; L311-Y396 HydrophobicContact CG-CE1 4.19Å; L311-Y396 HydrophobicContact CG-CE2 4.49Å; I349-Y396 HydrophobicContact CD1-CD1 4.49Å; I349-Y396 HydrophobicContact CD1-CD2 4.42Å; I349-Y396 HydrophobicContact CD1-CG 3.93Å; I349-Y396 HydrophobicContact CG1-CG 4.44Å; I349-Y396 HydrophobicContact CG2-CD1 4.24Å; L394-Y396 HydrophobicContact CB-CD1 3.76Å; L394-Y396 HydrophobicContact CB-CE1 3.88Å

Retrieved 396 of 396 residues in 276.7 ms (Link to these results)

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